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_J 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 0.000 177.573 177.584 -0.019 0.000 1.274 37 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 37 A CB 0.000 18.983 19.000 -0.028 0.000 0.831 38 R N 0.448 120.936 120.500 -0.020 0.000 2.254 38 R HA 0.441 4.780 4.340 -0.001 0.000 0.195 38 R C 1.945 178.325 176.300 0.133 0.000 0.957 38 R CA 1.479 57.590 56.100 0.017 0.000 1.024 38 R CB -1.201 29.048 30.300 -0.086 0.000 0.952 38 R HN 1.097 nan 8.270 nan 0.000 0.484 39 G N -0.167 108.712 108.800 0.131 0.000 2.708 39 G HA2 0.207 4.166 3.960 -0.001 0.000 0.210 39 G HA3 0.207 4.166 3.960 -0.001 0.000 0.210 39 G C 1.190 176.117 174.900 0.044 0.000 1.141 39 G CA 0.556 45.728 45.100 0.119 0.000 0.788 39 G HN 0.761 nan 8.290 nan 0.000 0.531 40 A N 0.474 123.307 122.820 0.022 0.000 2.840 40 A HA 0.680 5.000 4.320 -0.001 0.000 0.269 40 A C 1.968 179.530 177.584 -0.036 0.000 1.439 40 A CA 0.718 52.751 52.037 -0.006 0.000 1.083 40 A CB -0.323 18.673 19.000 -0.007 0.000 1.019 40 A HN 0.416 nan 8.150 nan 0.000 0.607 41 A N -0.253 122.543 122.820 -0.039 0.000 2.072 41 A HA 0.016 4.336 4.320 -0.001 0.000 0.216 41 A C 2.265 179.776 177.584 -0.122 0.000 1.156 41 A CA 1.758 53.724 52.037 -0.118 0.000 0.701 41 A CB -0.733 18.208 19.000 -0.098 0.000 0.816 41 A HN 0.697 nan 8.150 nan 0.000 0.458 42 T N -2.057 112.461 114.554 -0.060 0.000 2.915 42 T HA -0.132 4.218 4.350 -0.001 0.000 0.269 42 T C 1.903 176.589 174.700 -0.022 0.000 1.071 42 T CA 1.191 63.268 62.100 -0.038 0.000 1.132 42 T CB -0.316 68.542 68.868 -0.018 0.000 0.878 42 T HN 0.472 nan 8.240 nan 0.000 0.479 43 R N 1.331 121.818 120.500 -0.023 0.000 2.105 43 R HA 0.039 4.378 4.340 -0.001 0.000 0.239 43 R C 2.574 178.875 176.300 0.002 0.000 1.135 43 R CA 1.394 57.490 56.100 -0.006 0.000 0.967 43 R CB -0.652 29.644 30.300 -0.006 0.000 0.861 43 R HN 0.511 nan 8.270 nan 0.000 0.442 44 A N 0.168 122.955 122.820 -0.055 0.000 1.930 44 A HA -0.077 4.242 4.320 -0.001 0.000 0.215 44 A C 2.117 179.737 177.584 0.059 0.000 1.176 44 A CA 1.026 53.032 52.037 -0.052 0.000 0.632 44 A CB -0.371 18.374 19.000 -0.425 0.000 0.819 44 A HN 0.327 nan 8.150 nan 0.000 0.445 45 R N 0.015 120.509 120.500 -0.011 0.000 2.092 45 R HA -0.211 4.128 4.340 -0.001 0.000 0.231 45 R C 2.403 178.757 176.300 0.090 0.000 1.119 45 R CA 1.857 57.991 56.100 0.056 0.000 0.970 45 R CB -0.212 30.089 30.300 0.001 0.000 0.864 45 R HN 0.752 nan 8.270 nan 0.000 0.440 46 Q N 0.119 119.959 119.800 0.067 0.000 2.119 46 Q HA -0.115 4.225 4.340 -0.001 0.000 0.201 46 Q C 1.641 177.702 176.000 0.101 0.000 0.972 46 Q CA 1.448 57.295 55.803 0.073 0.000 0.847 46 Q CB -0.181 28.589 28.738 0.052 0.000 0.903 46 Q HN 0.121 nan 8.270 nan 0.000 0.433 47 K N 0.152 120.627 120.400 0.124 0.000 2.148 47 K HA -0.166 4.154 4.320 -0.001 0.000 0.204 47 K C 2.215 178.924 176.600 0.181 0.000 1.050 47 K CA 1.393 57.770 56.287 0.149 0.000 0.942 47 K CB 0.016 32.614 32.500 0.163 0.000 0.724 47 K HN 0.499 nan 8.250 nan 0.000 0.446 48 Q N 0.475 120.410 119.800 0.224 0.000 2.020 48 Q HA -0.202 4.137 4.340 -0.001 0.000 0.198 48 Q C 2.308 178.387 176.000 0.131 0.000 0.974 48 Q CA 1.798 57.713 55.803 0.186 0.000 0.829 48 Q CB -0.066 28.822 28.738 0.250 0.000 0.894 48 Q HN 0.199 nan 8.270 nan 0.000 0.433 49 R N 0.440 121.012 120.500 0.121 0.000 2.105 49 R HA -0.083 4.256 4.340 -0.001 0.000 0.239 49 R C 2.184 178.550 176.300 0.110 0.000 1.135 49 R CA 1.839 57.998 56.100 0.098 0.000 0.967 49 R CB -1.703 28.646 30.300 0.081 0.000 0.861 49 R HN 0.570 nan 8.270 nan 0.000 0.442 50 A N -0.122 122.765 122.820 0.113 0.000 1.930 50 A HA -0.037 4.282 4.320 -0.001 0.000 0.217 50 A C 2.576 180.242 177.584 0.138 0.000 1.175 50 A CA 1.753 53.858 52.037 0.115 0.000 0.627 50 A CB -0.386 18.677 19.000 0.104 0.000 0.815 50 A HN 0.500 nan 8.150 nan 0.000 0.443 51 S N -0.758 115.036 115.700 0.156 0.000 2.428 51 S HA -0.013 4.456 4.470 -0.001 0.000 0.230 51 S C 1.689 176.389 174.600 0.166 0.000 1.014 51 S CA 0.977 59.295 58.200 0.197 0.000 0.957 51 S CB -0.255 63.075 63.200 0.216 0.000 0.784 51 S HN 0.407 nan 8.310 nan 0.000 0.499 52 L N 1.725 123.039 121.223 0.151 0.000 2.156 52 L HA 0.015 4.355 4.340 -0.001 0.000 0.208 52 L C 2.780 179.833 176.870 0.305 0.000 1.095 52 L CA 1.831 56.788 54.840 0.196 0.000 0.770 52 L CB -0.735 41.394 42.059 0.116 0.000 0.914 52 L HN 0.408 nan 8.230 nan 0.000 0.439 53 E N -1.411 118.911 120.200 0.203 0.000 2.158 53 E HA -0.147 4.203 4.350 -0.001 0.000 0.191 53 E C 2.136 178.781 176.600 0.076 0.000 0.982 53 E CA 1.490 57.981 56.400 0.152 0.000 0.823 53 E CB -1.211 28.559 29.700 0.118 0.000 0.766 53 E HN 0.483 nan 8.360 nan 0.000 0.468 54 T N 0.443 115.047 114.554 0.083 0.000 2.788 54 T HA -0.074 4.275 4.350 -0.001 0.000 0.268 54 T C 2.160 176.819 174.700 -0.068 0.000 1.044 54 T CA 1.521 63.657 62.100 0.060 0.000 1.139 54 T CB -0.265 68.699 68.868 0.160 0.000 0.867 54 T HN 0.404 nan 8.240 nan 0.000 0.454 55 M N 0.699 120.199 119.600 -0.167 0.000 2.175 55 M HA -0.070 4.410 4.480 -0.001 0.000 0.264 55 M C 2.138 178.298 176.300 -0.234 0.000 1.063 55 M CA 1.383 56.490 55.300 -0.320 0.000 1.119 55 M CB -0.304 32.175 32.600 -0.203 0.000 1.377 55 M HN 0.130 nan 8.290 nan 0.000 0.415 56 D N 0.706 120.952 120.400 -0.256 0.000 2.149 56 D HA -0.092 4.548 4.640 -0.001 0.000 0.201 56 D C 2.134 178.245 176.300 -0.315 0.000 0.972 56 D CA 1.824 55.490 54.000 -0.557 0.000 0.835 56 D CB 0.218 40.634 40.800 -0.640 0.000 0.966 56 D HN 0.210 nan 8.370 nan 0.000 0.476 57 K N 0.094 120.403 120.400 -0.152 0.000 2.296 57 K HA 0.341 4.661 4.320 -0.001 0.000 0.200 57 K C 2.030 178.622 176.600 -0.013 0.000 1.048 57 K CA 1.072 57.315 56.287 -0.073 0.000 0.966 57 K CB -0.691 31.795 32.500 -0.024 0.000 0.754 57 K HN 0.263 nan 8.250 nan 0.000 0.466 58 A N 1.050 123.882 122.820 0.020 0.000 1.897 58 A HA 0.041 4.361 4.320 -0.001 0.000 0.215 58 A C 2.570 180.278 177.584 0.205 0.000 1.181 58 A CA 1.996 54.142 52.037 0.183 0.000 0.620 58 A CB -0.601 18.562 19.000 0.272 0.000 0.821 58 A HN 0.883 nan 8.150 nan 0.000 0.443 59 V N -2.691 117.275 119.914 0.088 0.000 2.591 59 V HA -0.163 3.956 4.120 -0.001 0.000 0.249 59 V C 2.006 178.119 176.094 0.032 0.000 1.053 59 V CA 1.963 64.316 62.300 0.089 0.000 1.068 59 V CB -0.936 30.861 31.823 -0.043 0.000 0.689 59 V HN 0.558 nan 8.190 nan 0.000 0.462 60 Q N 0.855 120.618 119.800 -0.061 0.000 2.137 60 Q HA 0.024 4.364 4.340 -0.001 0.000 0.198 60 Q C 2.539 178.509 176.000 -0.051 0.000 0.960 60 Q CA 1.956 57.712 55.803 -0.078 0.000 0.847 60 Q CB -0.263 28.397 28.738 -0.131 0.000 0.915 60 Q HN 0.768 nan 8.270 nan 0.000 0.448 61 R N -0.083 120.395 120.500 -0.036 0.000 2.323 61 R HA -0.020 4.319 4.340 -0.001 0.000 0.198 61 R C 1.235 177.498 176.300 -0.063 0.000 0.988 61 R CA 0.543 56.615 56.100 -0.047 0.000 1.041 61 R CB -1.059 29.222 30.300 -0.032 0.000 0.926 61 R HN 0.305 nan 8.270 nan 0.000 0.476 62 F N 0.411 120.232 119.950 -0.215 0.000 2.243 62 F HA 0.121 4.648 4.527 -0.001 0.000 0.287 62 F C 2.883 178.580 175.800 -0.172 0.000 1.067 62 F CA 1.483 59.310 58.000 -0.288 0.000 1.304 62 F CB 0.018 38.750 39.000 -0.446 0.000 1.087 62 F HN 0.278 nan 8.300 nan 0.000 0.513 63 R N 0.984 121.500 120.500 0.027 0.000 2.148 63 R HA 0.042 4.382 4.340 -0.001 0.000 0.227 63 R C 2.131 178.356 176.300 -0.126 0.000 1.103 63 R CA 1.574 57.654 56.100 -0.033 0.000 0.983 63 R CB -2.243 28.073 30.300 0.028 0.000 0.874 63 R HN 0.446 nan 8.270 nan 0.000 0.451 64 L N -0.526 120.621 121.223 -0.127 0.000 2.027 64 L HA 0.028 4.368 4.340 -0.001 0.000 0.206 64 L C 2.941 179.701 176.870 -0.184 0.000 1.074 64 L CA 2.870 57.632 54.840 -0.131 0.000 0.745 64 L CB -1.933 40.065 42.059 -0.101 0.000 0.898 64 L HN 0.674 nan 8.230 nan 0.000 0.433 65 Q N -0.499 119.146 119.800 -0.258 0.000 2.167 65 Q HA -0.110 4.230 4.340 -0.001 0.000 0.202 65 Q C 1.209 176.981 176.000 -0.381 0.000 0.970 65 Q CA 1.577 57.197 55.803 -0.304 0.000 0.855 65 Q CB -0.741 27.794 28.738 -0.338 0.000 0.911 65 Q HN 0.890 nan 8.270 nan 0.000 0.438 66 N N -0.121 118.263 118.700 -0.527 0.000 2.746 66 N HA 0.323 5.062 4.740 -0.001 0.000 0.250 66 N C -2.400 172.949 175.510 -0.268 0.000 1.146 66 N CA -1.280 51.495 53.050 -0.458 0.000 0.828 66 N CB 2.107 40.145 38.487 -0.748 0.000 1.158 66 N HN 0.178 nan 8.380 nan 0.000 0.519 67 P HA 0.110 nan 4.420 nan 0.000 0.228 67 P C 0.585 177.845 177.300 -0.068 0.000 1.166 67 P CA 0.710 63.747 63.100 -0.105 0.000 0.812 67 P CB 0.217 31.862 31.700 -0.092 0.000 0.857 68 D N -0.315 120.046 120.400 -0.065 0.000 2.319 68 D HA 0.356 4.996 4.640 -0.001 0.000 0.230 68 D C 0.918 177.204 176.300 -0.024 0.000 1.094 68 D CA 0.191 54.166 54.000 -0.041 0.000 0.856 68 D CB -0.949 39.827 40.800 -0.039 0.000 0.915 68 D HN 0.252 nan 8.370 nan 0.000 0.517 69 L N 0.067 121.280 121.223 -0.017 0.000 2.395 69 L HA 0.614 4.954 4.340 -0.001 0.000 0.269 69 L C 0.401 177.275 176.870 0.007 0.000 1.133 69 L CA -0.663 54.183 54.840 0.011 0.000 0.812 69 L CB 1.066 43.156 42.059 0.052 0.000 1.125 69 L HN 0.177 nan 8.230 nan 0.000 0.452 70 D N 1.029 121.433 120.400 0.007 0.000 2.411 70 D HA 0.368 5.008 4.640 -0.001 0.000 0.225 70 D C 1.022 177.313 176.300 -0.016 0.000 1.156 70 D CA 0.471 54.467 54.000 -0.006 0.000 0.874 70 D CB 1.434 42.231 40.800 -0.005 0.000 1.034 70 D HN 0.577 nan 8.370 nan 0.000 0.502 71 S N 2.713 118.396 115.700 -0.027 0.000 2.345 71 S HA -0.119 4.351 4.470 -0.001 0.000 0.219 71 S C 2.016 176.564 174.600 -0.086 0.000 1.031 71 S CA 1.445 59.611 58.200 -0.056 0.000 0.984 71 S CB -0.021 63.148 63.200 -0.051 0.000 0.874 71 S HN 0.718 nan 8.310 nan 0.000 0.451 72 E N 0.560 120.721 120.200 -0.065 0.000 2.338 72 E HA 0.232 4.582 4.350 -0.001 0.000 0.197 72 E C 1.699 178.265 176.600 -0.057 0.000 1.007 72 E CA 1.139 57.498 56.400 -0.068 0.000 0.849 72 E CB -0.673 28.997 29.700 -0.050 0.000 0.774 72 E HN 0.579 nan 8.360 nan 0.000 0.506 73 A N -0.583 122.211 122.820 -0.043 0.000 2.220 73 A HA 0.423 4.742 4.320 -0.001 0.000 0.211 73 A C 2.076 179.644 177.584 -0.026 0.000 1.176 73 A CA 0.771 52.792 52.037 -0.027 0.000 0.834 73 A CB 0.052 19.044 19.000 -0.014 0.000 0.868 73 A HN 0.411 nan 8.150 nan 0.000 0.488 74 L N -0.234 120.960 121.223 -0.049 0.000 2.072 74 L HA 0.054 4.394 4.340 -0.001 0.000 0.205 74 L C 2.034 178.847 176.870 -0.095 0.000 1.079 74 L CA 1.683 56.492 54.840 -0.053 0.000 0.752 74 L CB -0.733 41.287 42.059 -0.066 0.000 0.906 74 L HN 0.384 nan 8.230 nan 0.000 0.436 75 L N -0.964 120.142 121.223 -0.195 0.000 2.109 75 L HA -0.086 4.253 4.340 -0.001 0.000 0.207 75 L C 2.069 178.914 176.870 -0.042 0.000 1.086 75 L CA 1.447 56.125 54.840 -0.270 0.000 0.760 75 L CB -1.157 40.675 42.059 -0.378 0.000 0.910 75 L HN 0.348 nan 8.230 nan 0.000 0.437 76 T N -2.231 112.305 114.554 -0.030 0.000 3.194 76 T HA 0.121 4.471 4.350 -0.001 0.000 0.251 76 T C 0.620 175.338 174.700 0.030 0.000 1.132 76 T CA -0.272 61.833 62.100 0.008 0.000 1.028 76 T CB -0.357 68.507 68.868 -0.006 0.000 0.976 76 T HN -0.153 nan 8.240 nan 0.000 0.535 77 L N 3.134 124.381 121.223 0.041 0.000 2.513 77 L HA 0.322 4.662 4.340 -0.001 0.000 0.272 77 L C -1.994 174.923 176.870 0.078 0.000 1.187 77 L CA -2.248 52.628 54.840 0.059 0.000 0.895 77 L CB -0.047 42.054 42.059 0.070 0.000 1.147 77 L HN 0.073 nan 8.230 nan 0.000 0.483 78 P HA -0.038 nan 4.420 nan 0.000 0.268 78 P C 0.806 178.141 177.300 0.059 0.000 1.208 78 P CA -0.448 62.688 63.100 0.060 0.000 0.777 78 P CB 0.536 32.265 31.700 0.049 0.000 0.875 79 L N 2.458 123.708 121.223 0.045 0.000 2.079 79 L HA -0.176 4.164 4.340 -0.001 0.000 0.210 79 L C 1.738 178.623 176.870 0.024 0.000 1.081 79 L CA 1.982 56.837 54.840 0.024 0.000 0.752 79 L CB -1.099 40.956 42.059 -0.005 0.000 0.896 79 L HN 0.277 nan 8.230 nan 0.000 0.433 80 L N -1.125 120.116 121.223 0.029 0.000 2.027 80 L HA -0.193 4.146 4.340 -0.001 0.000 0.206 80 L C 2.523 179.415 176.870 0.036 0.000 1.074 80 L CA 1.628 56.486 54.840 0.031 0.000 0.745 80 L CB -1.859 40.222 42.059 0.038 0.000 0.898 80 L HN 0.416 nan 8.230 nan 0.000 0.433 81 Q N -0.556 119.268 119.800 0.040 0.000 2.084 81 Q HA -0.205 4.135 4.340 -0.001 0.000 0.202 81 Q C 2.303 178.332 176.000 0.048 0.000 0.978 81 Q CA 1.129 56.957 55.803 0.042 0.000 0.844 81 Q CB -0.184 28.579 28.738 0.042 0.000 0.898 81 Q HN 0.289 nan 8.270 nan 0.000 0.426 82 L N -0.103 121.151 121.223 0.053 0.000 2.027 82 L HA -0.116 4.223 4.340 -0.001 0.000 0.206 82 L C 2.155 179.058 176.870 0.054 0.000 1.074 82 L CA 1.326 56.203 54.840 0.062 0.000 0.745 82 L CB -0.615 41.490 42.059 0.078 0.000 0.898 82 L HN 0.059 nan 8.230 nan 0.000 0.433 83 V N 0.075 120.013 119.914 0.041 0.000 2.490 83 V HA -0.293 3.827 4.120 -0.001 0.000 0.250 83 V C 2.552 178.686 176.094 0.067 0.000 1.061 83 V CA 2.066 64.393 62.300 0.046 0.000 1.064 83 V CB -0.318 31.520 31.823 0.024 0.000 0.670 83 V HN 0.893 nan 8.190 nan 0.000 0.461 84 Q N -0.793 119.040 119.800 0.055 0.000 2.311 84 Q HA -0.094 4.246 4.340 -0.001 0.000 0.203 84 Q C 2.075 178.111 176.000 0.059 0.000 0.954 84 Q CA 1.519 57.353 55.803 0.052 0.000 0.885 84 Q CB -0.331 28.431 28.738 0.040 0.000 0.963 84 Q HN 0.497 nan 8.270 nan 0.000 0.471 85 K N -0.262 120.176 120.400 0.064 0.000 2.186 85 K HA 0.037 4.356 4.320 -0.001 0.000 0.202 85 K C 1.514 178.170 176.600 0.093 0.000 1.052 85 K CA 0.356 56.684 56.287 0.068 0.000 0.965 85 K CB 0.172 32.709 32.500 0.062 0.000 0.746 85 K HN 0.195 nan 8.250 nan 0.000 0.457 86 L N 1.209 122.502 121.223 0.116 0.000 2.201 86 L HA -0.131 4.209 4.340 -0.001 0.000 0.212 86 L C 2.364 179.396 176.870 0.270 0.000 1.105 86 L CA 1.668 56.621 54.840 0.190 0.000 0.775 86 L CB -0.878 41.274 42.059 0.155 0.000 0.913 86 L HN 0.184 nan 8.230 nan 0.000 0.440 87 Q N -0.094 119.804 119.800 0.163 0.000 2.062 87 Q HA -0.110 4.230 4.340 -0.001 0.000 0.196 87 Q C 2.382 178.387 176.000 0.009 0.000 0.967 87 Q CA 2.023 57.868 55.803 0.069 0.000 0.832 87 Q CB -0.120 28.646 28.738 0.047 0.000 0.899 87 Q HN 0.484 nan 8.270 nan 0.000 0.442 88 S N -1.804 113.914 115.700 0.030 0.000 2.496 88 S HA 0.230 4.700 4.470 -0.001 0.000 0.224 88 S C 1.337 175.954 174.600 0.029 0.000 0.996 88 S CA 0.611 58.822 58.200 0.017 0.000 0.927 88 S CB 0.170 63.383 63.200 0.020 0.000 0.774 88 S HN 0.760 nan 8.310 nan 0.000 0.524 89 G N 0.783 109.618 108.800 0.059 0.000 2.148 89 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.203 89 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.203 89 G C 0.381 175.323 174.900 0.071 0.000 0.993 89 G CA 0.311 45.456 45.100 0.076 0.000 0.661 89 G HN 0.479 nan 8.290 nan 0.000 0.518 90 E N -0.830 119.408 120.200 0.063 0.000 2.153 90 E HA 0.045 4.395 4.350 -0.001 0.000 0.194 90 E C 0.892 177.531 176.600 0.064 0.000 0.988 90 E CA 0.701 57.133 56.400 0.055 0.000 0.811 90 E CB 0.009 29.738 29.700 0.047 0.000 0.746 90 E HN 0.598 nan 8.360 nan 0.000 0.466 91 L N 0.051 121.321 121.223 0.079 0.000 2.342 91 L HA 0.218 4.558 4.340 -0.001 0.000 0.271 91 L C -0.021 176.914 176.870 0.108 0.000 1.008 91 L CA -0.813 54.081 54.840 0.089 0.000 0.818 91 L CB 1.906 44.016 42.059 0.085 0.000 1.296 91 L HN -0.098 nan 8.230 nan 0.000 0.427 92 S N 1.230 116.999 115.700 0.116 0.000 2.584 92 S HA 0.346 4.816 4.470 -0.001 0.000 0.273 92 S C -1.982 172.679 174.600 0.103 0.000 1.311 92 S CA -1.013 57.263 58.200 0.127 0.000 1.034 92 S CB 1.243 64.529 63.200 0.144 0.000 0.939 92 S HN 0.416 nan 8.310 nan 0.000 0.513 93 P HA -0.056 nan 4.420 nan 0.000 0.219 93 P C 0.866 178.197 177.300 0.051 0.000 1.146 93 P CA 1.108 64.182 63.100 -0.043 0.000 0.808 93 P CB 0.045 31.634 31.700 -0.184 0.000 0.779 94 E N -0.498 119.790 120.200 0.146 0.000 2.150 94 E HA -0.083 4.266 4.350 -0.001 0.000 0.193 94 E C 2.117 178.825 176.600 0.180 0.000 0.985 94 E CA 1.261 57.827 56.400 0.277 0.000 0.814 94 E CB -0.876 29.039 29.700 0.359 0.000 0.752 94 E HN 0.150 nan 8.360 nan 0.000 0.466 95 A N 0.586 123.537 122.820 0.217 0.000 1.930 95 A HA -0.137 4.183 4.320 -0.001 0.000 0.217 95 A C 2.438 180.070 177.584 0.080 0.000 1.175 95 A CA 1.585 53.753 52.037 0.219 0.000 0.627 95 A CB -0.742 18.393 19.000 0.226 0.000 0.815 95 A HN 0.217 nan 8.150 nan 0.000 0.443 96 V N -3.285 116.677 119.914 0.080 0.000 2.323 96 V HA -0.124 3.996 4.120 -0.001 0.000 0.244 96 V C 2.306 178.423 176.094 0.038 0.000 1.041 96 V CA 1.712 64.066 62.300 0.091 0.000 1.025 96 V CB -1.383 30.510 31.823 0.116 0.000 0.656 96 V HN 0.434 nan 8.190 nan 0.000 0.451 97 F N 1.209 121.052 119.950 -0.178 0.000 2.102 97 F HA -0.074 4.453 4.527 -0.001 0.000 0.298 97 F C 2.009 177.522 175.800 -0.479 0.000 1.105 97 F CA 1.933 59.706 58.000 -0.379 0.000 1.239 97 F CB -0.247 38.480 39.000 -0.455 0.000 0.991 97 F HN 0.117 nan 8.300 nan 0.000 0.474 98 F N 0.254 119.847 119.950 -0.595 0.000 2.615 98 F HA -0.054 4.473 4.527 -0.001 0.000 0.297 98 F C 2.299 177.799 175.800 -0.499 0.000 1.124 98 F CA 1.172 58.732 58.000 -0.734 0.000 1.451 98 F CB -0.967 37.344 39.000 -1.147 0.000 1.103 98 F HN -0.089 nan 8.300 nan 0.000 0.569 99 T N -1.300 113.119 114.554 -0.224 0.000 2.701 99 T HA -0.215 4.135 4.350 -0.001 0.000 0.263 99 T C 1.636 176.177 174.700 -0.264 0.000 1.040 99 T CA 1.404 63.393 62.100 -0.185 0.000 1.147 99 T CB -0.687 68.073 68.868 -0.180 0.000 0.865 99 T HN 0.144 nan 8.240 nan 0.000 0.426 100 Y N 1.093 121.212 120.300 -0.302 0.000 2.200 100 Y HA 0.087 4.637 4.550 -0.001 0.000 0.290 100 Y C 2.375 178.057 175.900 -0.363 0.000 1.137 100 Y CA 0.396 58.301 58.100 -0.325 0.000 1.163 100 Y CB -0.479 37.732 38.460 -0.415 0.000 0.988 100 Y HN 0.085 nan 8.280 nan 0.000 0.518 101 L N -0.926 120.019 121.223 -0.465 0.000 2.079 101 L HA -0.224 4.116 4.340 -0.001 0.000 0.210 101 L C 2.420 179.210 176.870 -0.133 0.000 1.081 101 L CA 1.786 56.390 54.840 -0.394 0.000 0.752 101 L CB -1.141 40.435 42.059 -0.805 0.000 0.896 101 L HN 0.409 nan 8.230 nan 0.000 0.433 102 G N -0.221 108.494 108.800 -0.143 0.000 2.440 102 G HA2 -0.353 3.607 3.960 -0.001 0.000 0.218 102 G HA3 -0.353 3.607 3.960 -0.001 0.000 0.218 102 G C 1.649 176.577 174.900 0.046 0.000 1.154 102 G CA 1.043 46.121 45.100 -0.037 0.000 0.767 102 G HN 0.215 nan 8.290 nan 0.000 0.552 103 K N 1.094 121.486 120.400 -0.012 0.000 2.062 103 K HA 0.216 4.536 4.320 -0.001 0.000 0.205 103 K C 2.698 179.352 176.600 0.089 0.000 1.051 103 K CA 1.399 57.697 56.287 0.018 0.000 0.941 103 K CB -0.735 31.729 32.500 -0.059 0.000 0.719 103 K HN 0.162 nan 8.250 nan 0.000 0.440 104 A N -0.529 122.369 122.820 0.129 0.000 1.933 104 A HA -0.162 4.158 4.320 -0.001 0.000 0.218 104 A C 2.153 179.806 177.584 0.115 0.000 1.175 104 A CA 1.514 53.645 52.037 0.157 0.000 0.628 104 A CB -1.090 18.084 19.000 0.290 0.000 0.814 104 A HN 0.639 nan 8.150 nan 0.000 0.444 105 W N 0.428 121.713 121.300 -0.026 0.000 2.358 105 W HA -0.126 4.533 4.660 -0.000 0.000 0.303 105 W C 2.119 178.622 176.519 -0.027 0.000 1.208 105 W CA 1.886 59.208 57.345 -0.039 0.000 1.274 105 W CB 0.014 29.436 29.460 -0.064 0.000 1.138 105 W HN 0.462 nan 8.180 nan 0.000 0.515 106 E N -0.451 119.885 120.200 0.227 0.000 2.046 106 E HA -0.220 4.129 4.350 -0.001 0.000 0.190 106 E C 2.201 178.773 176.600 -0.046 0.000 0.982 106 E CA 2.279 58.757 56.400 0.131 0.000 0.800 106 E CB -0.342 29.448 29.700 0.150 0.000 0.756 106 E HN 0.214 nan 8.360 nan 0.000 0.449 107 V N -0.524 119.372 119.914 -0.029 0.000 2.871 107 V HA -0.092 4.028 4.120 -0.001 0.000 0.256 107 V C 1.778 177.819 176.094 -0.087 0.000 1.082 107 V CA 1.772 64.044 62.300 -0.048 0.000 1.105 107 V CB -0.628 31.187 31.823 -0.012 0.000 0.713 107 V HN 0.155 nan 8.190 nan 0.000 0.473 108 N N 1.223 119.840 118.700 -0.137 0.000 2.149 108 N HA -0.203 4.537 4.740 -0.001 0.000 0.188 108 N C 1.796 177.171 175.510 -0.225 0.000 1.019 108 N CA 1.832 54.772 53.050 -0.184 0.000 0.857 108 N CB -0.355 37.988 38.487 -0.240 0.000 0.997 108 N HN 0.568 nan 8.380 nan 0.000 0.426 109 K N -0.934 119.282 120.400 -0.307 0.000 2.103 109 K HA -0.055 4.265 4.320 -0.001 0.000 0.207 109 K C 1.908 178.424 176.600 -0.141 0.000 1.048 109 K CA 1.397 57.528 56.287 -0.260 0.000 0.930 109 K CB -0.405 31.918 32.500 -0.296 0.000 0.716 109 K HN 0.330 nan 8.250 nan 0.000 0.444 110 G N -0.591 108.145 108.800 -0.107 0.000 2.403 110 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.216 110 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.216 110 G C 1.495 176.368 174.900 -0.045 0.000 1.154 110 G CA 1.389 46.451 45.100 -0.063 0.000 0.784 110 G HN 0.470 nan 8.290 nan 0.000 0.538 111 T N -2.905 111.619 114.554 -0.051 0.000 3.018 111 T HA 0.114 4.463 4.350 -0.001 0.000 0.246 111 T C 0.952 175.636 174.700 -0.028 0.000 1.026 111 T CA 0.577 62.663 62.100 -0.023 0.000 1.081 111 T CB -0.105 68.760 68.868 -0.006 0.000 0.970 111 T HN 0.267 nan 8.240 nan 0.000 0.475 112 N N 0.883 119.549 118.700 -0.055 0.000 2.608 112 N HA -0.182 4.557 4.740 -0.001 0.000 0.273 112 N C 0.457 175.946 175.510 -0.036 0.000 1.133 112 N CA 0.619 53.639 53.050 -0.050 0.000 0.726 112 N CB -1.556 36.915 38.487 -0.026 0.000 0.890 112 N HN 0.806 nan 8.380 nan 0.000 0.548 113 C N -2.141 117.126 119.300 -0.055 0.000 3.730 113 C HA 0.490 4.950 4.460 -0.001 0.000 0.397 113 C C 0.685 175.625 174.990 -0.084 0.000 1.468 113 C CA -0.277 58.712 59.018 -0.049 0.000 1.931 113 C CB -0.469 27.255 27.740 -0.027 0.000 2.773 113 C HN 0.250 nan 8.230 nan 0.000 0.692 114 V N 2.847 122.700 119.914 -0.101 0.000 2.406 114 V HA 0.306 4.425 4.120 -0.001 0.000 0.272 114 V C 1.179 177.172 176.094 -0.168 0.000 1.043 114 V CA 0.852 63.077 62.300 -0.125 0.000 0.915 114 V CB 1.180 32.947 31.823 -0.093 0.000 0.988 114 V HN 0.518 nan 8.190 nan 0.000 0.466 115 T N 2.686 117.087 114.554 -0.255 0.000 2.983 115 T HA 0.074 4.424 4.350 -0.001 0.000 0.250 115 T C 0.660 175.175 174.700 -0.307 0.000 1.037 115 T CA 1.173 62.966 62.100 -0.512 0.000 1.142 115 T CB 0.232 68.646 68.868 -0.757 0.000 0.876 115 T HN 0.713 nan 8.240 nan 0.000 0.455 116 S N -0.385 115.235 115.700 -0.133 0.000 2.537 116 S HA 0.498 4.967 4.470 -0.001 0.000 0.271 116 S C -1.924 172.687 174.600 0.018 0.000 1.148 116 S CA -0.919 57.286 58.200 0.008 0.000 0.868 116 S CB 1.089 64.347 63.200 0.095 0.000 1.115 116 S HN 0.332 nan 8.310 nan 0.000 0.461 117 Y N 4.153 124.440 120.300 -0.022 0.000 2.328 117 Y HA 0.625 5.175 4.550 -0.001 0.000 0.337 117 Y C -0.681 175.174 175.900 -0.075 0.000 1.008 117 Y CA -0.892 57.181 58.100 -0.046 0.000 1.129 117 Y CB 0.944 39.436 38.460 0.053 0.000 1.185 117 Y HN 0.683 nan 8.280 nan 0.000 0.476 118 L N 7.638 128.369 121.223 -0.819 0.000 2.389 118 L HA 0.126 4.466 4.340 -0.001 0.000 0.265 118 L C 1.412 177.881 176.870 -0.668 0.000 1.167 118 L CA -0.158 54.106 54.840 -0.959 0.000 1.045 118 L CB 0.169 41.378 42.059 -1.417 0.000 1.351 118 L HN 0.908 nan 8.230 nan 0.000 0.419 119 T N -2.310 112.058 114.554 -0.311 0.000 2.685 119 T HA -0.270 4.080 4.350 -0.001 0.000 0.268 119 T C 1.107 175.726 174.700 -0.136 0.000 1.034 119 T CA 1.633 63.587 62.100 -0.244 0.000 1.149 119 T CB -0.348 68.545 68.868 0.042 0.000 0.860 119 T HN 0.691 nan 8.240 nan 0.000 0.449 120 D N 2.248 122.637 120.400 -0.018 0.000 2.494 120 D HA 0.056 4.695 4.640 -0.001 0.000 0.249 120 D C 1.001 177.282 176.300 -0.032 0.000 1.223 120 D CA -0.169 53.840 54.000 0.015 0.000 0.865 120 D CB -1.351 39.494 40.800 0.075 0.000 0.974 120 D HN 0.693 nan 8.370 nan 0.000 0.491 121 C N -0.988 118.226 119.300 -0.143 0.000 2.641 121 C HA 0.306 4.766 4.460 -0.001 0.000 0.318 121 C C 1.615 176.465 174.990 -0.234 0.000 1.490 121 C CA -0.473 58.394 59.018 -0.252 0.000 2.260 121 C CB 0.623 28.134 27.740 -0.382 0.000 2.103 121 C HN 0.531 nan 8.230 nan 0.000 0.641 122 E N -1.313 118.646 120.200 -0.402 0.000 5.080 122 E HA -0.323 4.026 4.350 -0.001 0.000 0.168 122 E C 1.428 177.974 176.600 -0.091 0.000 1.286 122 E CA 2.266 58.550 56.400 -0.195 0.000 2.223 122 E CB -2.058 27.662 29.700 0.033 0.000 1.857 122 E HN 0.978 nan 8.360 nan 0.000 0.388 123 T N -1.093 113.425 114.554 -0.061 0.000 3.007 123 T HA -0.102 4.248 4.350 -0.001 0.000 0.270 123 T C 1.628 176.288 174.700 -0.067 0.000 1.107 123 T CA 1.509 63.584 62.100 -0.041 0.000 1.118 123 T CB 0.033 68.892 68.868 -0.014 0.000 0.889 123 T HN 0.076 nan 8.240 nan 0.000 0.506 124 Q N 0.507 120.237 119.800 -0.117 0.000 2.250 124 Q HA 0.338 4.678 4.340 -0.001 0.000 0.200 124 Q C 2.008 177.909 176.000 -0.165 0.000 0.941 124 Q CA 0.653 56.378 55.803 -0.130 0.000 0.872 124 Q CB -0.473 28.181 28.738 -0.140 0.000 0.965 124 Q HN 0.532 nan 8.270 nan 0.000 0.480 125 L N -0.663 120.424 121.223 -0.227 0.000 2.093 125 L HA -0.141 4.199 4.340 -0.001 0.000 0.208 125 L C 2.299 179.115 176.870 -0.091 0.000 1.085 125 L CA 1.124 55.838 54.840 -0.209 0.000 0.755 125 L CB -0.453 41.457 42.059 -0.248 0.000 0.904 125 L HN 0.136 nan 8.230 nan 0.000 0.435 126 S N -0.615 115.054 115.700 -0.053 0.000 2.348 126 S HA -0.210 4.259 4.470 -0.001 0.000 0.221 126 S C 1.531 176.139 174.600 0.013 0.000 1.033 126 S CA 1.715 59.913 58.200 -0.004 0.000 1.010 126 S CB -0.241 62.959 63.200 0.001 0.000 0.891 126 S HN 0.567 nan 8.310 nan 0.000 0.442 127 Q N -0.082 119.716 119.800 -0.002 0.000 2.824 127 Q HA 0.752 5.092 4.340 -0.001 0.000 0.371 127 Q C -0.306 175.700 176.000 0.010 0.000 1.071 127 Q CA -0.034 55.777 55.803 0.013 0.000 1.064 127 Q CB 0.198 28.937 28.738 0.001 0.000 1.332 127 Q HN 0.553 nan 8.270 nan 0.000 0.445 128 A N 2.089 124.928 122.820 0.032 0.000 2.354 128 A HA 0.668 4.988 4.320 -0.001 0.000 0.281 128 A C -2.334 175.365 177.584 0.191 0.000 1.174 128 A CA -1.390 50.681 52.037 0.057 0.000 0.828 128 A CB 0.199 19.164 19.000 -0.058 0.000 1.099 128 A HN 0.480 nan 8.150 nan 0.000 0.516 129 P HA 0.073 nan 4.420 nan 0.000 0.264 129 P C 0.839 178.227 177.300 0.148 0.000 1.193 129 P CA -0.209 62.955 63.100 0.106 0.000 0.763 129 P CB 0.558 32.291 31.700 0.055 0.000 0.810 130 R N 3.399 123.889 120.500 -0.016 0.000 2.075 130 R HA -0.102 4.238 4.340 -0.001 0.000 0.226 130 R C 2.031 178.149 176.300 -0.303 0.000 1.114 130 R CA 1.924 57.828 56.100 -0.326 0.000 0.972 130 R CB -0.554 29.561 30.300 -0.308 0.000 0.869 130 R HN 0.591 nan 8.270 nan 0.000 0.437 131 Q N 0.119 119.849 119.800 -0.117 0.000 2.360 131 Q HA 0.205 4.544 4.340 -0.001 0.000 0.202 131 Q C 0.732 176.729 176.000 -0.005 0.000 0.915 131 Q CA 0.521 56.283 55.803 -0.068 0.000 0.943 131 Q CB 0.011 28.722 28.738 -0.045 0.000 1.064 131 Q HN 0.450 nan 8.270 nan 0.000 0.511 132 G N 0.186 109.009 108.800 0.037 0.000 2.398 132 G HA2 0.338 4.298 3.960 -0.001 0.000 0.246 132 G HA3 0.338 4.298 3.960 -0.001 0.000 0.246 132 G C 0.588 175.529 174.900 0.069 0.000 1.289 132 G CA -0.501 44.637 45.100 0.063 0.000 0.869 132 G HN 0.279 nan 8.290 nan 0.000 0.543 133 L N 1.703 122.945 121.223 0.032 0.000 2.551 133 L HA 0.171 4.511 4.340 -0.001 0.000 0.228 133 L C 1.706 178.582 176.870 0.010 0.000 1.153 133 L CA 0.954 55.802 54.840 0.014 0.000 0.851 133 L CB -0.540 41.509 42.059 -0.017 0.000 0.959 133 L HN 0.482 nan 8.230 nan 0.000 0.451 134 L N -2.354 118.879 121.223 0.016 0.000 3.096 134 L HA 0.090 4.430 4.340 -0.001 0.000 0.272 134 L C 1.298 178.181 176.870 0.021 0.000 1.311 134 L CA -0.269 54.572 54.840 0.001 0.000 0.943 134 L CB -0.160 41.873 42.059 -0.043 0.000 1.348 134 L HN 0.058 nan 8.230 nan 0.000 0.562 135 Y N 1.188 121.468 120.300 -0.033 0.000 2.139 135 Y HA -0.285 4.265 4.550 -0.001 0.000 0.282 135 Y C 1.981 177.863 175.900 -0.030 0.000 1.179 135 Y CA 2.105 60.188 58.100 -0.029 0.000 1.161 135 Y CB 0.239 38.689 38.460 -0.017 0.000 0.970 135 Y HN 0.331 nan 8.280 nan 0.000 0.511 136 G N -0.507 108.122 108.800 -0.285 0.000 2.744 136 G HA2 0.077 4.037 3.960 -0.001 0.000 0.211 136 G HA3 0.077 4.037 3.960 -0.001 0.000 0.211 136 G C -0.075 174.683 174.900 -0.237 0.000 1.146 136 G CA 0.328 45.201 45.100 -0.378 0.000 0.787 136 G HN 0.149 nan 8.290 nan 0.000 0.534 137 V N 3.608 123.424 119.914 -0.163 0.000 2.427 137 V HA 0.222 4.342 4.120 -0.001 0.000 0.268 137 V C -1.905 174.110 176.094 -0.132 0.000 1.046 137 V CA -1.718 60.500 62.300 -0.137 0.000 0.970 137 V CB 1.312 33.073 31.823 -0.103 0.000 1.001 137 V HN 0.104 nan 8.190 nan 0.000 0.476 138 P HA 0.135 nan 4.420 nan 0.000 0.275 138 P C -0.401 176.941 177.300 0.070 0.000 1.276 138 P CA 0.153 63.189 63.100 -0.107 0.000 0.782 138 P CB 0.916 32.325 31.700 -0.484 0.000 0.851 139 V N 1.774 121.784 119.914 0.159 0.000 2.481 139 V HA 0.555 4.675 4.120 -0.001 0.000 0.286 139 V C 0.320 176.416 176.094 0.004 0.000 1.042 139 V CA -0.770 61.571 62.300 0.069 0.000 0.928 139 V CB 1.089 32.875 31.823 -0.062 0.000 0.986 139 V HN 0.545 nan 8.190 nan 0.000 0.462 140 S N 5.627 121.245 115.700 -0.136 0.000 2.537 140 S HA 0.719 5.188 4.470 -0.001 0.000 0.275 140 S C -0.453 173.986 174.600 -0.267 0.000 1.272 140 S CA -0.745 57.230 58.200 -0.374 0.000 1.050 140 S CB 0.830 63.828 63.200 -0.336 0.000 0.961 140 S HN 0.752 nan 8.310 nan 0.000 0.496 141 L N 2.617 123.680 121.223 -0.266 0.000 2.309 141 L HA 0.476 4.815 4.340 -0.001 0.000 0.282 141 L C 0.662 177.576 176.870 0.074 0.000 1.036 141 L CA -0.775 53.993 54.840 -0.121 0.000 0.806 141 L CB 1.138 43.160 42.059 -0.062 0.000 1.220 141 L HN 0.678 nan 8.230 nan 0.000 0.429 142 K N 1.705 122.210 120.400 0.175 0.000 2.436 142 K HA -0.076 4.243 4.320 -0.001 0.000 0.275 142 K C 1.027 177.779 176.600 0.253 0.000 0.999 142 K CA 0.184 56.621 56.287 0.250 0.000 0.980 142 K CB 0.880 33.603 32.500 0.371 0.000 0.919 142 K HN 0.645 nan 8.250 nan 0.000 0.484 143 E N 2.450 122.639 120.200 -0.019 0.000 2.114 143 E HA -0.282 4.067 4.350 -0.001 0.000 0.199 143 E C 1.545 177.960 176.600 -0.309 0.000 1.008 143 E CA 2.303 58.474 56.400 -0.383 0.000 0.810 143 E CB -0.133 29.408 29.700 -0.265 0.000 0.739 143 E HN 0.807 nan 8.360 nan 0.000 0.456 144 C N -0.262 118.979 119.300 -0.099 0.000 2.437 144 C HA 0.087 4.547 4.460 -0.001 0.000 0.283 144 C C 0.981 175.908 174.990 -0.104 0.000 1.424 144 C CA -0.784 58.162 59.018 -0.120 0.000 1.782 144 C CB -1.758 25.875 27.740 -0.179 0.000 1.833 144 C HN 0.145 nan 8.230 nan 0.000 0.532 145 F N 3.545 123.542 119.950 0.079 0.000 2.468 145 F HA 0.252 4.779 4.527 -0.001 0.000 0.356 145 F C 1.299 177.248 175.800 0.248 0.000 1.167 145 F CA 0.237 58.326 58.000 0.149 0.000 1.135 145 F CB 0.066 39.154 39.000 0.147 0.000 1.197 145 F HN 0.229 nan 8.300 nan 0.000 0.569 146 S N 4.931 120.810 115.700 0.298 0.000 2.533 146 S HA 0.176 4.646 4.470 -0.001 0.000 0.282 146 S C -0.974 173.804 174.600 0.297 0.000 1.304 146 S CA -0.320 58.046 58.200 0.276 0.000 1.063 146 S CB 0.270 63.567 63.200 0.162 0.000 0.881 146 S HN 0.527 nan 8.310 nan 0.000 0.493 147 Y N 2.163 122.575 120.300 0.188 0.000 2.361 147 Y HA 0.488 5.037 4.550 -0.001 0.000 0.337 147 Y C 0.306 176.283 175.900 0.128 0.000 0.965 147 Y CA -0.473 57.681 58.100 0.089 0.000 1.091 147 Y CB 0.949 39.359 38.460 -0.083 0.000 1.182 147 Y HN 0.983 nan 8.280 nan 0.000 0.450 148 K N 3.048 123.354 120.400 -0.157 0.000 2.473 148 K HA 0.374 4.693 4.320 -0.001 0.000 0.277 148 K C 1.055 177.745 176.600 0.149 0.000 1.052 148 K CA 0.665 56.931 56.287 -0.034 0.000 1.114 148 K CB -1.074 31.338 32.500 -0.147 0.000 0.869 148 K HN 1.767 nan 8.250 nan 0.000 0.481 149 G N 1.476 110.351 108.800 0.125 0.000 2.148 149 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.254 149 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.254 149 G C 0.119 175.026 174.900 0.012 0.000 0.981 149 G CA 0.486 45.631 45.100 0.075 0.000 0.670 149 G HN 1.054 nan 8.290 nan 0.000 0.528 150 H N -0.190 118.987 119.070 0.177 0.000 2.797 150 H HA 0.426 4.981 4.556 -0.001 0.000 0.372 150 H C -0.759 174.688 175.328 0.198 0.000 1.168 150 H CA -0.681 55.486 56.048 0.198 0.000 1.163 150 H CB 1.758 31.661 29.762 0.235 0.000 1.778 150 H HN 0.232 nan 8.280 nan 0.000 0.551 151 D N -0.006 120.573 120.400 0.299 0.000 2.304 151 D HA 0.185 4.825 4.640 -0.001 0.000 0.247 151 D C -0.370 176.035 176.300 0.175 0.000 1.089 151 D CA 0.141 54.265 54.000 0.208 0.000 0.910 151 D CB 0.910 41.822 40.800 0.187 0.000 1.199 151 D HN 0.219 nan 8.370 nan 0.000 0.426 152 S N 0.722 116.486 115.700 0.107 0.000 2.062 152 S HA 0.159 4.629 4.470 -0.001 0.000 0.163 152 S C -0.166 174.455 174.600 0.035 0.000 1.612 152 S CA -0.758 57.457 58.200 0.024 0.000 1.251 152 S CB 0.311 63.526 63.200 0.025 0.000 1.174 152 S HN 0.554 nan 8.310 nan 0.000 0.428 153 T N 0.915 115.512 114.554 0.071 0.000 2.916 153 T HA 0.178 4.527 4.350 -0.001 0.000 0.303 153 T C 0.669 175.397 174.700 0.046 0.000 1.025 153 T CA -0.417 61.718 62.100 0.059 0.000 1.142 153 T CB 0.160 69.090 68.868 0.103 0.000 0.947 153 T HN 0.131 nan 8.240 nan 0.000 0.544 154 L N 3.997 125.219 121.223 -0.002 0.000 2.672 154 L HA 0.338 4.678 4.340 -0.001 0.000 0.236 154 L C 2.039 178.926 176.870 0.028 0.000 1.186 154 L CA 0.976 55.817 54.840 0.001 0.000 0.977 154 L CB -0.942 41.099 42.059 -0.031 0.000 1.203 154 L HN 1.241 nan 8.230 nan 0.000 0.448 155 G N -0.960 107.878 108.800 0.062 0.000 2.175 155 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.244 155 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.244 155 G C 0.047 174.909 174.900 -0.062 0.000 0.982 155 G CA -0.366 44.755 45.100 0.034 0.000 0.641 155 G HN 0.138 nan 8.290 nan 0.000 0.527 156 L N 2.049 123.209 121.223 -0.105 0.000 2.272 156 L HA 0.538 4.877 4.340 -0.001 0.000 0.289 156 L C 1.888 178.682 176.870 -0.127 0.000 1.032 156 L CA 0.414 55.145 54.840 -0.182 0.000 0.810 156 L CB 1.028 42.924 42.059 -0.273 0.000 1.205 156 L HN 0.341 nan 8.230 nan 0.000 0.422 157 S N 2.907 118.537 115.700 -0.116 0.000 2.419 157 S HA -0.187 4.283 4.470 -0.001 0.000 0.233 157 S C 1.827 176.381 174.600 -0.077 0.000 1.016 157 S CA 0.615 58.765 58.200 -0.084 0.000 0.974 157 S CB -0.407 62.757 63.200 -0.060 0.000 0.786 157 S HN 0.546 nan 8.310 nan 0.000 0.492 158 L N 2.913 124.075 121.223 -0.100 0.000 2.030 158 L HA -0.277 4.063 4.340 -0.001 0.000 0.222 158 L C 1.230 178.069 176.870 -0.052 0.000 1.082 158 L CA 2.366 57.156 54.840 -0.084 0.000 0.785 158 L CB -0.734 41.254 42.059 -0.118 0.000 0.895 158 L HN 0.575 nan 8.230 nan 0.000 0.439 159 N N -1.854 116.818 118.700 -0.048 0.000 2.273 159 N HA 0.028 4.768 4.740 -0.001 0.000 0.231 159 N C 1.093 176.608 175.510 0.008 0.000 1.134 159 N CA 0.355 53.398 53.050 -0.012 0.000 0.856 159 N CB 0.227 38.714 38.487 -0.001 0.000 1.068 159 N HN 0.319 nan 8.380 nan 0.000 0.510 160 E N 1.376 121.571 120.200 -0.008 0.000 2.274 160 E HA -0.032 4.318 4.350 -0.001 0.000 0.194 160 E C 1.832 178.443 176.600 0.019 0.000 0.996 160 E CA 1.177 57.579 56.400 0.004 0.000 0.840 160 E CB -0.504 29.173 29.700 -0.039 0.000 0.772 160 E HN 0.323 nan 8.360 nan 0.000 0.491 161 G N 1.399 110.205 108.800 0.010 0.000 2.639 161 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.216 161 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.216 161 G C 0.790 175.707 174.900 0.028 0.000 1.267 161 G CA 1.466 46.575 45.100 0.015 0.000 0.801 161 G HN 0.325 nan 8.290 nan 0.000 0.592 162 M N 2.126 121.746 119.600 0.034 0.000 2.108 162 M HA 0.381 4.861 4.480 -0.001 0.000 0.354 162 M C -2.855 173.480 176.300 0.058 0.000 1.229 162 M CA -2.961 52.362 55.300 0.039 0.000 1.081 162 M CB 0.882 33.503 32.600 0.035 0.000 1.606 162 M HN -0.060 nan 8.290 nan 0.000 0.467 163 P HA 0.181 nan 4.420 nan 0.000 0.275 163 P C -0.516 176.829 177.300 0.076 0.000 1.227 163 P CA -0.161 62.983 63.100 0.072 0.000 0.781 163 P CB 0.408 32.132 31.700 0.039 0.000 0.906 164 S N 0.067 115.832 115.700 0.108 0.000 2.548 164 S HA 0.309 4.778 4.470 -0.001 0.000 0.277 164 S C 1.448 176.083 174.600 0.059 0.000 1.315 164 S CA -0.186 58.067 58.200 0.088 0.000 1.050 164 S CB 0.410 63.679 63.200 0.114 0.000 0.918 164 S HN 0.564 nan 8.310 nan 0.000 0.497 165 E N 1.024 121.245 120.200 0.036 0.000 2.478 165 E HA 0.161 4.510 4.350 -0.001 0.000 0.198 165 E C 0.806 177.406 176.600 -0.000 0.000 1.046 165 E CA 0.761 57.170 56.400 0.016 0.000 0.870 165 E CB -0.251 29.455 29.700 0.011 0.000 0.818 165 E HN 0.904 nan 8.360 nan 0.000 0.527 166 S N -0.288 115.411 115.700 -0.001 0.000 2.547 166 S HA 0.411 4.880 4.470 -0.001 0.000 0.270 166 S C -1.937 172.640 174.600 -0.038 0.000 1.150 166 S CA -0.795 57.388 58.200 -0.027 0.000 0.850 166 S CB 1.683 64.874 63.200 -0.015 0.000 1.118 166 S HN 0.089 nan 8.310 nan 0.000 0.461 167 D N 2.328 122.668 120.400 -0.100 0.000 2.414 167 D HA 0.254 4.894 4.640 -0.001 0.000 0.242 167 D C 0.889 177.180 176.300 -0.014 0.000 1.129 167 D CA -0.078 53.855 54.000 -0.112 0.000 0.885 167 D CB 0.594 41.270 40.800 -0.206 0.000 1.198 167 D HN 0.825 nan 8.370 nan 0.000 0.437 168 C N 0.676 120.012 119.300 0.059 0.000 2.703 168 C HA 0.119 4.578 4.460 -0.001 0.000 0.411 168 C C 2.139 177.176 174.990 0.078 0.000 1.290 168 C CA -0.914 58.162 59.018 0.097 0.000 2.054 168 C CB -0.014 27.835 27.740 0.183 0.000 2.732 168 C HN 0.488 nan 8.230 nan 0.000 0.650 169 V N 3.136 123.097 119.914 0.077 0.000 2.407 169 V HA -0.183 3.936 4.120 -0.001 0.000 0.248 169 V C 2.489 178.615 176.094 0.053 0.000 1.055 169 V CA 2.532 64.864 62.300 0.054 0.000 1.049 169 V CB -0.659 31.200 31.823 0.059 0.000 0.662 169 V HN 1.000 nan 8.190 nan 0.000 0.455 170 V N -3.070 116.905 119.914 0.102 0.000 2.591 170 V HA -0.083 4.037 4.120 -0.001 0.000 0.249 170 V C 2.219 178.322 176.094 0.016 0.000 1.053 170 V CA 1.421 63.764 62.300 0.072 0.000 1.068 170 V CB -0.600 31.301 31.823 0.131 0.000 0.689 170 V HN 0.275 nan 8.190 nan 0.000 0.462 171 V N 0.405 120.344 119.914 0.043 0.000 2.332 171 V HA -0.300 3.819 4.120 -0.001 0.000 0.248 171 V C 2.905 178.975 176.094 -0.039 0.000 1.055 171 V CA 2.584 64.886 62.300 0.003 0.000 1.038 171 V CB -0.728 31.135 31.823 0.067 0.000 0.651 171 V HN 0.594 nan 8.190 nan 0.000 0.450 172 Q N -0.510 119.262 119.800 -0.046 0.000 2.077 172 Q HA -0.226 4.114 4.340 -0.001 0.000 0.206 172 Q C 2.361 178.297 176.000 -0.107 0.000 0.989 172 Q CA 2.464 58.218 55.803 -0.082 0.000 0.853 172 Q CB -0.432 28.266 28.738 -0.067 0.000 0.907 172 Q HN 0.726 nan 8.270 nan 0.000 0.418 173 V N -1.556 118.306 119.914 -0.086 0.000 2.809 173 V HA -0.137 3.982 4.120 -0.001 0.000 0.256 173 V C 1.874 177.909 176.094 -0.099 0.000 1.080 173 V CA 1.090 63.325 62.300 -0.109 0.000 1.102 173 V CB -0.489 31.288 31.823 -0.077 0.000 0.705 173 V HN 0.236 nan 8.190 nan 0.000 0.475 174 L N 0.028 121.201 121.223 -0.082 0.000 2.027 174 L HA -0.083 4.257 4.340 -0.001 0.000 0.206 174 L C 2.852 179.676 176.870 -0.077 0.000 1.074 174 L CA 2.183 56.976 54.840 -0.079 0.000 0.745 174 L CB -0.638 41.373 42.059 -0.081 0.000 0.898 174 L HN 0.231 nan 8.230 nan 0.000 0.433 175 K N 0.135 120.487 120.400 -0.081 0.000 2.097 175 K HA -0.106 4.214 4.320 -0.001 0.000 0.206 175 K C 1.974 178.516 176.600 -0.097 0.000 1.049 175 K CA 1.091 57.329 56.287 -0.082 0.000 0.933 175 K CB -0.162 32.288 32.500 -0.084 0.000 0.717 175 K HN 0.240 nan 8.250 nan 0.000 0.442 176 L N 0.431 121.567 121.223 -0.146 0.000 2.465 176 L HA -0.101 4.238 4.340 -0.001 0.000 0.224 176 L C 1.677 178.472 176.870 -0.126 0.000 1.145 176 L CA 0.735 55.447 54.840 -0.213 0.000 0.834 176 L CB 0.012 41.786 42.059 -0.474 0.000 0.944 176 L HN 0.184 nan 8.230 nan 0.000 0.451 177 Q N -0.501 119.254 119.800 -0.075 0.000 2.198 177 Q HA 0.195 4.534 4.340 -0.001 0.000 0.209 177 Q C 1.052 177.052 176.000 -0.000 0.000 0.848 177 Q CA 0.542 56.332 55.803 -0.022 0.000 0.974 177 Q CB 0.768 29.487 28.738 -0.032 0.000 1.115 177 Q HN 0.341 nan 8.270 nan 0.000 0.494 178 G N -0.985 107.809 108.800 -0.010 0.000 2.175 178 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.244 178 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.244 178 G C 0.226 175.084 174.900 -0.069 0.000 0.982 178 G CA 0.017 45.121 45.100 0.007 0.000 0.641 178 G HN 0.604 nan 8.290 nan 0.000 0.527 179 A N -0.363 122.414 122.820 -0.070 0.000 2.351 179 A HA 0.708 5.027 4.320 -0.001 0.000 0.257 179 A C 0.456 177.986 177.584 -0.090 0.000 1.087 179 A CA 0.383 52.369 52.037 -0.086 0.000 0.798 179 A CB 1.123 20.079 19.000 -0.072 0.000 1.033 179 A HN 1.235 nan 8.150 nan 0.000 0.488 180 V N 2.916 122.777 119.914 -0.088 0.000 2.250 180 V HA 0.278 4.398 4.120 -0.001 0.000 0.268 180 V C -2.595 173.521 176.094 0.036 0.000 1.043 180 V CA -1.546 60.696 62.300 -0.096 0.000 0.814 180 V CB 0.621 32.312 31.823 -0.219 0.000 1.072 180 V HN 0.707 nan 8.190 nan 0.000 0.451 181 P HA 0.220 nan 4.420 nan 0.000 0.276 181 P C 0.063 177.324 177.300 -0.065 0.000 1.264 181 P CA -0.026 63.076 63.100 0.004 0.000 0.769 181 P CB 0.381 32.082 31.700 0.002 0.000 0.840 182 F N 3.656 123.484 119.950 -0.204 0.000 2.667 182 F HA 0.324 4.851 4.527 -0.001 0.000 0.288 182 F C -0.082 175.613 175.800 -0.176 0.000 1.086 182 F CA -0.170 57.761 58.000 -0.115 0.000 1.297 182 F CB -0.066 39.053 39.000 0.199 0.000 1.059 182 F HN 0.098 nan 8.300 nan 0.000 0.624 183 V N -1.132 118.299 119.914 -0.804 0.000 3.040 183 V HA 0.548 4.668 4.120 -0.001 0.000 0.312 183 V C -1.284 174.504 176.094 -0.511 0.000 1.115 183 V CA -0.929 61.018 62.300 -0.588 0.000 0.998 183 V CB 1.402 32.887 31.823 -0.563 0.000 1.042 183 V HN 0.294 nan 8.190 nan 0.000 0.433 184 H N 1.183 120.032 119.070 -0.369 0.000 2.467 184 H HA 0.670 5.226 4.556 -0.001 0.000 0.326 184 H C 0.037 175.217 175.328 -0.247 0.000 1.094 184 H CA 0.022 55.904 56.048 -0.277 0.000 1.253 184 H CB 1.680 31.301 29.762 -0.234 0.000 1.439 184 H HN 1.050 nan 8.280 nan 0.000 0.479 185 T N 1.145 115.676 114.554 -0.039 0.000 2.855 185 T HA 0.156 4.505 4.350 -0.001 0.000 0.281 185 T C 0.272 174.921 174.700 -0.085 0.000 1.007 185 T CA -1.197 60.850 62.100 -0.088 0.000 1.009 185 T CB 1.359 70.183 68.868 -0.073 0.000 0.983 185 T HN 0.457 nan 8.240 nan 0.000 0.455 186 N N 1.297 119.940 118.700 -0.094 0.000 2.407 186 N HA 0.244 4.984 4.740 -0.001 0.000 0.250 186 N C -0.168 175.342 175.510 -0.000 0.000 1.236 186 N CA -0.039 52.975 53.050 -0.061 0.000 0.879 186 N CB 0.427 38.896 38.487 -0.031 0.000 1.088 186 N HN 0.792 nan 8.380 nan 0.000 0.450 187 V N 0.885 120.818 119.914 0.031 0.000 2.960 187 V HA 0.783 4.902 4.120 -0.001 0.000 0.315 187 V C -2.484 173.655 176.094 0.074 0.000 1.087 187 V CA -2.106 60.224 62.300 0.049 0.000 0.982 187 V CB 1.916 33.762 31.823 0.039 0.000 1.039 187 V HN 0.613 nan 8.190 nan 0.000 0.437 188 P HA 0.101 nan 4.420 nan 0.000 0.272 188 P C 0.372 177.738 177.300 0.110 0.000 1.240 188 P CA 0.081 63.233 63.100 0.086 0.000 0.791 188 P CB 1.004 32.751 31.700 0.078 0.000 0.978 189 Q N 1.186 121.066 119.800 0.133 0.000 2.135 189 Q HA -0.167 4.173 4.340 -0.001 0.000 0.204 189 Q C 1.593 177.664 176.000 0.118 0.000 0.981 189 Q CA 2.257 58.141 55.803 0.135 0.000 0.856 189 Q CB -0.395 28.460 28.738 0.195 0.000 0.902 189 Q HN 0.358 nan 8.270 nan 0.000 0.425 190 S N -1.600 114.241 115.700 0.235 0.000 2.578 190 S HA 0.271 4.740 4.470 -0.001 0.000 0.231 190 S C 0.522 175.253 174.600 0.219 0.000 0.994 190 S CA 0.348 58.698 58.200 0.250 0.000 0.956 190 S CB 0.083 63.636 63.200 0.588 0.000 0.870 190 S HN 0.554 nan 8.310 nan 0.000 0.494 191 M N -1.089 118.602 119.600 0.152 0.000 2.816 191 M HA -0.229 4.250 4.480 -0.001 0.000 0.152 191 M C 0.027 176.409 176.300 0.137 0.000 0.690 191 M CA 0.769 56.140 55.300 0.118 0.000 0.578 191 M CB -1.492 31.147 32.600 0.064 0.000 2.121 191 M HN 0.304 nan 8.290 nan 0.000 0.269 192 L N 1.887 123.236 121.223 0.210 0.000 2.672 192 L HA 0.463 4.803 4.340 -0.001 0.000 0.238 192 L C 0.301 177.255 176.870 0.140 0.000 1.392 192 L CA 0.630 55.547 54.840 0.129 0.000 1.238 192 L CB -0.160 41.903 42.059 0.007 0.000 1.548 192 L HN 0.300 nan 8.230 nan 0.000 0.423 193 S N 0.373 116.150 115.700 0.129 0.000 2.560 193 S HA 0.304 4.774 4.470 -0.001 0.000 0.283 193 S C -0.010 174.665 174.600 0.125 0.000 1.141 193 S CA -0.657 57.609 58.200 0.110 0.000 0.902 193 S CB 0.456 63.705 63.200 0.081 0.000 1.104 193 S HN 0.295 nan 8.310 nan 0.000 0.454 194 F N 1.810 121.673 119.950 -0.145 0.000 2.645 194 F HA 0.552 5.079 4.527 -0.001 0.000 0.300 194 F C 0.418 176.085 175.800 -0.221 0.000 1.115 194 F CA -0.549 57.294 58.000 -0.263 0.000 1.355 194 F CB 0.100 38.675 39.000 -0.709 0.000 1.026 194 F HN 0.421 nan 8.300 nan 0.000 0.536 195 D N 0.417 120.615 120.400 -0.336 0.000 2.511 195 D HA 0.263 4.902 4.640 -0.001 0.000 0.276 195 D C -0.811 175.450 176.300 -0.065 0.000 1.220 195 D CA -0.451 53.412 54.000 -0.228 0.000 1.077 195 D CB 2.068 42.742 40.800 -0.211 0.000 1.126 195 D HN 0.211 nan 8.370 nan 0.000 0.583 196 C N 1.216 120.500 119.300 -0.026 0.000 2.919 196 C HA 0.638 5.098 4.460 -0.001 0.000 0.337 196 C C -1.064 173.942 174.990 0.026 0.000 1.039 196 C CA -0.189 58.839 59.018 0.017 0.000 1.373 196 C CB -1.083 26.676 27.740 0.032 0.000 1.843 196 C HN 0.404 nan 8.230 nan 0.000 0.493 197 S N 5.019 120.744 115.700 0.041 0.000 2.558 197 S HA 0.736 5.206 4.470 -0.001 0.000 0.277 197 S C -1.923 172.720 174.600 0.071 0.000 1.143 197 S CA -0.475 57.755 58.200 0.049 0.000 0.865 197 S CB 1.222 64.438 63.200 0.027 0.000 1.102 197 S HN 1.085 nan 8.310 nan 0.000 0.454 198 N N 2.735 121.482 118.700 0.078 0.000 2.484 198 N HA 0.401 5.141 4.740 -0.001 0.000 0.269 198 N C -2.935 172.594 175.510 0.030 0.000 1.237 198 N CA -1.381 51.714 53.050 0.075 0.000 0.838 198 N CB 1.320 39.867 38.487 0.100 0.000 1.593 198 N HN 0.270 nan 8.380 nan 0.000 0.485 199 P HA -0.047 nan 4.420 nan 0.000 0.220 199 P C 1.322 178.549 177.300 -0.121 0.000 1.144 199 P CA 0.805 63.877 63.100 -0.046 0.000 0.800 199 P CB 0.343 32.064 31.700 0.036 0.000 0.772 200 L N -3.565 117.535 121.223 -0.205 0.000 2.249 200 L HA 0.094 4.434 4.340 -0.001 0.000 0.207 200 L C 1.731 178.239 176.870 -0.604 0.000 1.090 200 L CA 1.663 56.188 54.840 -0.526 0.000 0.802 200 L CB -0.465 41.067 42.059 -0.879 0.000 0.947 200 L HN -0.066 nan 8.230 nan 0.000 0.453 201 F N -1.848 118.102 119.950 -0.001 0.000 2.880 201 F HA 0.486 5.013 4.527 -0.001 0.000 0.346 201 F C 1.191 176.984 175.800 -0.010 0.000 1.054 201 F CA 0.074 58.072 58.000 -0.002 0.000 1.151 201 F CB 0.662 39.663 39.000 0.002 0.000 1.066 201 F HN 0.004 nan 8.300 nan 0.000 0.566 202 G N 1.516 110.398 108.800 0.135 0.000 2.712 202 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.683 202 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.683 202 G C -0.882 174.056 174.900 0.064 0.000 1.320 202 G CA -0.947 44.195 45.100 0.069 0.000 0.847 202 G HN 0.166 nan 8.290 nan 0.000 0.553 203 Q N 0.181 120.000 119.800 0.032 0.000 2.296 203 Q HA 0.477 4.817 4.340 -0.001 0.000 0.262 203 Q C 0.697 176.710 176.000 0.022 0.000 0.981 203 Q CA 0.206 56.023 55.803 0.024 0.000 0.905 203 Q CB 0.343 29.086 28.738 0.008 0.000 1.186 203 Q HN 0.653 nan 8.270 nan 0.000 0.399 204 T N 3.955 118.525 114.554 0.026 0.000 2.899 204 T HA 0.348 4.698 4.350 -0.001 0.000 0.295 204 T C -0.097 174.618 174.700 0.025 0.000 1.033 204 T CA -0.073 62.040 62.100 0.022 0.000 1.084 204 T CB 0.572 69.456 68.868 0.027 0.000 0.979 204 T HN 0.533 nan 8.240 nan 0.000 0.532 205 M N 2.061 121.677 119.600 0.027 0.000 2.716 205 M HA 0.344 4.823 4.480 -0.001 0.000 0.307 205 M C 0.396 176.736 176.300 0.067 0.000 1.223 205 M CA -0.838 54.485 55.300 0.038 0.000 0.871 205 M CB 1.393 34.007 32.600 0.024 0.000 1.739 205 M HN 0.427 nan 8.290 nan 0.000 0.475 206 N N 2.553 121.305 118.700 0.087 0.000 2.454 206 N HA 0.082 4.821 4.740 -0.001 0.000 0.260 206 N C -1.850 173.750 175.510 0.150 0.000 1.218 206 N CA -0.803 52.330 53.050 0.138 0.000 0.904 206 N CB 1.066 39.630 38.487 0.129 0.000 1.065 206 N HN 0.368 nan 8.380 nan 0.000 0.462 207 P HA -0.093 nan 4.420 nan 0.000 0.220 207 P C 0.755 178.125 177.300 0.117 0.000 1.148 207 P CA 1.316 64.495 63.100 0.132 0.000 0.803 207 P CB 0.067 31.849 31.700 0.135 0.000 0.782 208 W N 0.513 121.817 121.300 0.006 0.000 2.539 208 W HA 0.224 4.883 4.660 -0.001 0.000 0.281 208 W C 1.255 177.767 176.519 -0.012 0.000 1.220 208 W CA 0.594 57.938 57.345 -0.002 0.000 1.332 208 W CB 0.071 29.529 29.460 -0.003 0.000 1.095 208 W HN -0.190 nan 8.180 nan 0.000 0.571 209 K N -0.137 120.397 120.400 0.224 0.000 2.565 209 K HA 0.199 4.519 4.320 -0.001 0.000 0.249 209 K C 0.571 177.210 176.600 0.065 0.000 0.958 209 K CA -0.168 56.184 56.287 0.109 0.000 0.806 209 K CB 2.005 34.553 32.500 0.079 0.000 1.194 209 K HN -0.363 nan 8.250 nan 0.000 0.434 210 S N 0.584 116.308 115.700 0.040 0.000 2.419 210 S HA -0.117 4.353 4.470 -0.001 0.000 0.233 210 S C 1.399 176.007 174.600 0.013 0.000 1.016 210 S CA 1.919 60.133 58.200 0.023 0.000 0.974 210 S CB -0.016 63.190 63.200 0.010 0.000 0.786 210 S HN 0.738 nan 8.310 nan 0.000 0.492 211 S N -0.001 115.703 115.700 0.007 0.000 2.650 211 S HA 0.217 4.687 4.470 -0.001 0.000 0.219 211 S C 0.346 174.938 174.600 -0.013 0.000 0.960 211 S CA -0.153 58.044 58.200 -0.005 0.000 0.925 211 S CB 0.080 63.274 63.200 -0.010 0.000 0.775 211 S HN 0.109 nan 8.310 nan 0.000 0.525 212 K N 1.462 121.860 120.400 -0.004 0.000 2.203 212 K HA 0.440 4.760 4.320 -0.001 0.000 0.251 212 K C -0.456 176.151 176.600 0.011 0.000 0.944 212 K CA -0.440 55.835 56.287 -0.020 0.000 0.829 212 K CB 1.838 34.313 32.500 -0.041 0.000 1.125 212 K HN 0.131 nan 8.250 nan 0.000 0.430 213 S N 2.293 118.002 115.700 0.016 0.000 2.564 213 S HA 0.145 4.615 4.470 -0.001 0.000 0.278 213 S C -1.673 173.044 174.600 0.196 0.000 1.333 213 S CA -1.131 57.119 58.200 0.084 0.000 1.048 213 S CB 0.410 63.659 63.200 0.081 0.000 0.900 213 S HN 0.309 nan 8.310 nan 0.000 0.505 214 P HA 0.250 nan 4.420 nan 0.000 0.257 214 P C 0.643 178.099 177.300 0.260 0.000 1.325 214 P CA 0.357 63.591 63.100 0.223 0.000 0.850 214 P CB -0.620 31.164 31.700 0.141 0.000 1.324 215 G N -0.907 108.055 108.800 0.270 0.000 2.725 215 G HA2 0.268 4.227 3.960 -0.001 0.000 0.220 215 G HA3 0.268 4.227 3.960 -0.001 0.000 0.220 215 G C -0.342 174.566 174.900 0.013 0.000 1.357 215 G CA -0.559 44.524 45.100 -0.029 0.000 0.866 215 G HN 0.634 nan 8.290 nan 0.000 0.548 216 G N -2.667 106.160 108.800 0.046 0.000 2.340 216 G HA2 0.654 4.614 3.960 -0.001 0.000 0.298 216 G HA3 0.654 4.614 3.960 -0.001 0.000 0.298 216 G C 0.585 175.589 174.900 0.173 0.000 1.498 216 G CA 0.910 46.060 45.100 0.084 0.000 0.847 216 G HN 2.242 nan 8.290 nan 0.000 0.594 217 S N -1.227 114.558 115.700 0.143 0.000 2.593 217 S HA 0.120 4.589 4.470 -0.001 0.000 0.217 217 S C 1.248 175.894 174.600 0.076 0.000 0.966 217 S CA 1.086 59.343 58.200 0.094 0.000 0.914 217 S CB 0.040 63.293 63.200 0.088 0.000 0.776 217 S HN 0.862 nan 8.310 nan 0.000 0.523 218 S N 1.554 117.303 115.700 0.082 0.000 2.815 218 S HA 0.356 4.825 4.470 -0.001 0.000 0.254 218 S C 1.482 176.121 174.600 0.065 0.000 1.197 218 S CA -0.083 58.161 58.200 0.075 0.000 1.216 218 S CB -0.028 63.222 63.200 0.084 0.000 0.871 218 S HN 0.661 nan 8.310 nan 0.000 0.473 219 G N 2.104 110.941 108.800 0.061 0.000 2.408 219 G HA2 -0.037 3.923 3.960 -0.001 0.000 0.217 219 G HA3 -0.037 3.923 3.960 -0.001 0.000 0.217 219 G C 1.372 176.305 174.900 0.055 0.000 1.150 219 G CA 0.496 45.634 45.100 0.063 0.000 0.776 219 G HN 0.596 nan 8.290 nan 0.000 0.542 220 G N 0.614 109.435 108.800 0.034 0.000 2.440 220 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.218 220 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.218 220 G C 1.648 176.555 174.900 0.012 0.000 1.154 220 G CA 1.149 46.256 45.100 0.012 0.000 0.767 220 G HN 0.337 nan 8.290 nan 0.000 0.552 221 E N 0.580 120.793 120.200 0.022 0.000 2.017 221 E HA -0.093 4.256 4.350 -0.001 0.000 0.193 221 E C 2.839 179.463 176.600 0.039 0.000 0.997 221 E CA 1.258 57.669 56.400 0.018 0.000 0.804 221 E CB -1.008 28.711 29.700 0.031 0.000 0.757 221 E HN 0.330 nan 8.360 nan 0.000 0.448 222 G N 0.836 109.673 108.800 0.063 0.000 2.422 222 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.218 222 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.218 222 G C 1.700 176.668 174.900 0.113 0.000 1.146 222 G CA 1.239 46.394 45.100 0.091 0.000 0.769 222 G HN 0.383 nan 8.290 nan 0.000 0.547 223 A N 0.085 122.966 122.820 0.101 0.000 1.969 223 A HA 0.157 4.477 4.320 -0.001 0.000 0.218 223 A C 2.293 179.925 177.584 0.081 0.000 1.169 223 A CA 1.511 53.611 52.037 0.105 0.000 0.635 223 A CB -0.256 18.793 19.000 0.082 0.000 0.810 223 A HN 0.417 nan 8.150 nan 0.000 0.445 224 L N -0.462 120.796 121.223 0.058 0.000 2.068 224 L HA 0.084 4.424 4.340 -0.001 0.000 0.204 224 L C 2.147 179.067 176.870 0.083 0.000 1.076 224 L CA 1.488 56.361 54.840 0.053 0.000 0.753 224 L CB -0.328 41.743 42.059 0.020 0.000 0.910 224 L HN 0.376 nan 8.230 nan 0.000 0.439 225 I N -0.025 120.595 120.570 0.083 0.000 2.252 225 I HA -0.065 4.105 4.170 -0.001 0.000 0.245 225 I C 1.417 177.604 176.117 0.117 0.000 1.102 225 I CA 0.687 62.043 61.300 0.094 0.000 1.385 225 I CB -0.994 37.047 38.000 0.069 0.000 1.064 225 I HN 0.343 nan 8.210 nan 0.000 0.414 226 G N 0.187 109.072 108.800 0.141 0.000 2.441 226 G HA2 0.238 4.197 3.960 -0.001 0.000 0.243 226 G HA3 0.238 4.197 3.960 -0.001 0.000 0.243 226 G C 0.837 175.801 174.900 0.106 0.000 1.281 226 G CA 0.388 45.599 45.100 0.185 0.000 0.854 226 G HN 0.561 nan 8.290 nan 0.000 0.560 227 S N 0.070 115.784 115.700 0.025 0.000 3.270 227 S HA -0.110 4.360 4.470 -0.001 0.000 0.293 227 S C 1.798 176.406 174.600 0.014 0.000 1.278 227 S CA 1.265 59.441 58.200 -0.041 0.000 1.038 227 S CB -1.597 61.564 63.200 -0.065 0.000 1.218 227 S HN 3.013 nan 8.310 nan 0.000 0.659 228 G N -0.249 108.593 108.800 0.070 0.000 2.143 228 G HA2 -0.023 3.937 3.960 -0.001 0.000 0.248 228 G HA3 -0.023 3.937 3.960 -0.001 0.000 0.248 228 G C 1.270 176.289 174.900 0.198 0.000 0.991 228 G CA 0.764 45.936 45.100 0.119 0.000 0.689 228 G HN 1.961 nan 8.290 nan 0.000 0.522 229 G N -0.877 108.036 108.800 0.188 0.000 2.744 229 G HA2 0.421 4.381 3.960 -0.001 0.000 0.211 229 G HA3 0.421 4.381 3.960 -0.001 0.000 0.211 229 G C 0.518 175.660 174.900 0.404 0.000 1.143 229 G CA 1.502 46.749 45.100 0.244 0.000 0.788 229 G HN 1.700 nan 8.290 nan 0.000 0.534 230 S N -0.756 115.141 115.700 0.329 0.000 2.570 230 S HA 0.456 4.926 4.470 -0.001 0.000 0.286 230 S C -2.388 172.175 174.600 -0.061 0.000 1.143 230 S CA -0.727 57.541 58.200 0.115 0.000 0.921 230 S CB 2.184 65.486 63.200 0.168 0.000 1.108 230 S HN -0.105 nan 8.310 nan 0.000 0.456 231 P HA 0.230 nan 4.420 nan 0.000 0.227 231 P C -0.049 177.191 177.300 -0.100 0.000 1.161 231 P CA 0.334 63.297 63.100 -0.228 0.000 0.788 231 P CB 0.043 31.506 31.700 -0.396 0.000 0.822 232 L N -1.597 119.573 121.223 -0.089 0.000 2.591 232 L HA 0.759 5.099 4.340 -0.001 0.000 0.257 232 L C -1.244 175.591 176.870 -0.058 0.000 0.935 232 L CA -0.528 54.274 54.840 -0.063 0.000 0.873 232 L CB 1.714 43.725 42.059 -0.080 0.000 1.397 232 L HN 0.004 nan 8.230 nan 0.000 0.414 233 G N 2.656 111.418 108.800 -0.064 0.000 2.694 233 G HA2 0.660 4.620 3.960 -0.001 0.000 0.290 233 G HA3 0.660 4.620 3.960 -0.001 0.000 0.290 233 G C -2.340 172.489 174.900 -0.119 0.000 1.386 233 G CA -0.715 44.326 45.100 -0.098 0.000 0.872 233 G HN 0.523 nan 8.290 nan 0.000 0.475 234 L N 0.489 121.590 121.223 -0.204 0.000 2.317 234 L HA 0.812 5.151 4.340 -0.001 0.000 0.281 234 L C 0.825 177.694 176.870 -0.002 0.000 1.024 234 L CA -0.197 54.498 54.840 -0.241 0.000 0.810 234 L CB 1.522 43.135 42.059 -0.743 0.000 1.240 234 L HN 0.813 nan 8.230 nan 0.000 0.427 235 G N 0.475 109.378 108.800 0.172 0.000 2.788 235 G HA2 0.765 4.724 3.960 -0.001 0.000 0.293 235 G HA3 0.765 4.724 3.960 -0.001 0.000 0.293 235 G C -1.027 174.063 174.900 0.316 0.000 1.305 235 G CA -0.168 45.086 45.100 0.257 0.000 1.005 235 G HN 0.615 nan 8.290 nan 0.000 0.496 236 T N -2.145 112.510 114.554 0.167 0.000 2.906 236 T HA 0.679 5.029 4.350 -0.001 0.000 0.295 236 T C -1.853 172.874 174.700 0.044 0.000 1.075 236 T CA -0.768 61.375 62.100 0.072 0.000 1.005 236 T CB 2.697 71.544 68.868 -0.035 0.000 1.136 236 T HN 0.474 nan 8.240 nan 0.000 0.498 237 D N 0.823 121.236 120.400 0.021 0.000 2.764 237 D HA 0.329 4.969 4.640 -0.001 0.000 0.227 237 D C -0.445 175.848 176.300 -0.011 0.000 1.347 237 D CA -0.498 53.505 54.000 0.004 0.000 0.953 237 D CB 2.055 42.851 40.800 -0.007 0.000 1.476 237 D HN 0.643 nan 8.370 nan 0.000 0.585 238 I N 1.846 122.404 120.570 -0.020 0.000 4.403 238 I HA 0.311 4.481 4.170 -0.001 0.000 0.331 238 I C 1.022 177.104 176.117 -0.058 0.000 1.327 238 I CA 0.154 61.429 61.300 -0.042 0.000 1.175 238 I CB 0.848 38.817 38.000 -0.051 0.000 1.165 238 I HN 0.484 nan 8.210 nan 0.000 0.413 239 G N -0.585 108.191 108.800 -0.040 0.000 3.941 239 G HA2 0.363 4.323 3.960 -0.001 0.000 0.222 239 G HA3 0.363 4.323 3.960 -0.001 0.000 0.222 239 G C 0.753 175.635 174.900 -0.029 0.000 1.118 239 G CA 0.474 45.547 45.100 -0.044 0.000 0.880 239 G HN 0.374 nan 8.290 nan 0.000 0.546 240 G N -0.013 108.736 108.800 -0.085 0.000 2.321 240 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.174 240 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.174 240 G C 1.030 175.804 174.900 -0.210 0.000 1.008 240 G CA 0.619 45.497 45.100 -0.371 0.000 0.739 240 G HN 0.321 nan 8.290 nan 0.000 0.502 241 S N -0.232 115.486 115.700 0.030 0.000 2.507 241 S HA 0.159 4.629 4.470 -0.001 0.000 0.235 241 S C 2.163 176.790 174.600 0.044 0.000 0.988 241 S CA 1.076 59.340 58.200 0.106 0.000 0.944 241 S CB -0.038 63.217 63.200 0.092 0.000 0.762 241 S HN 0.507 nan 8.310 nan 0.000 0.526 242 I N 0.390 120.951 120.570 -0.015 0.000 2.494 242 I HA 0.007 4.177 4.170 -0.001 0.000 0.250 242 I C 2.429 178.513 176.117 -0.054 0.000 1.112 242 I CA 0.748 62.043 61.300 -0.009 0.000 1.438 242 I CB 0.060 38.062 38.000 0.002 0.000 1.111 242 I HN 0.090 nan 8.210 nan 0.000 0.431 243 R N -0.386 120.019 120.500 -0.159 0.000 2.100 243 R HA -0.004 4.335 4.340 -0.001 0.000 0.220 243 R C 2.179 178.324 176.300 -0.259 0.000 1.091 243 R CA 1.001 56.970 56.100 -0.219 0.000 0.986 243 R CB -0.269 29.851 30.300 -0.299 0.000 0.888 243 R HN 0.105 nan 8.270 nan 0.000 0.444 244 F N 1.095 120.943 119.950 -0.169 0.000 2.043 244 F HA -0.150 4.376 4.527 -0.001 0.000 0.297 244 F C -0.616 174.970 175.800 -0.357 0.000 1.121 244 F CA 1.328 59.088 58.000 -0.400 0.000 1.199 244 F CB -1.728 37.013 39.000 -0.433 0.000 0.968 244 F HN 0.021 nan 8.300 nan 0.000 0.478 245 P HA -0.061 nan 4.420 nan 0.000 0.217 245 P C 1.771 179.131 177.300 0.100 0.000 1.151 245 P CA 1.776 64.919 63.100 0.073 0.000 0.828 245 P CB -0.063 31.682 31.700 0.075 0.000 0.788 246 S N 0.176 115.910 115.700 0.057 0.000 2.359 246 S HA -0.206 4.264 4.470 -0.001 0.000 0.223 246 S C 2.089 176.737 174.600 0.080 0.000 1.039 246 S CA 1.777 60.010 58.200 0.056 0.000 1.042 246 S CB -1.200 62.010 63.200 0.016 0.000 0.915 246 S HN 0.177 nan 8.310 nan 0.000 0.439 247 A N 0.109 122.990 122.820 0.101 0.000 2.014 247 A HA 0.116 4.436 4.320 -0.001 0.000 0.218 247 A C 1.661 179.422 177.584 0.295 0.000 1.163 247 A CA 0.918 53.054 52.037 0.165 0.000 0.652 247 A CB -0.474 18.643 19.000 0.195 0.000 0.808 247 A HN 0.454 nan 8.150 nan 0.000 0.449 248 F N -1.419 118.542 119.950 0.018 0.000 2.569 248 F HA 0.072 4.598 4.527 -0.001 0.000 0.295 248 F C 1.681 177.430 175.800 -0.084 0.000 1.115 248 F CA -0.366 57.627 58.000 -0.013 0.000 1.450 248 F CB -0.280 38.760 39.000 0.067 0.000 1.107 248 F HN 0.213 nan 8.300 nan 0.000 0.563 249 C N -0.576 118.815 119.300 0.151 0.000 3.125 249 C HA 0.551 5.011 4.460 -0.001 0.000 0.284 249 C C 1.686 176.756 174.990 0.135 0.000 1.386 249 C CA -0.053 59.046 59.018 0.135 0.000 1.763 249 C CB -0.631 27.241 27.740 0.221 0.000 2.377 249 C HN 0.665 nan 8.230 nan 0.000 0.620 250 G N 2.272 111.064 108.800 -0.014 0.000 2.179 250 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.257 250 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.257 250 G C -0.063 174.903 174.900 0.109 0.000 1.010 250 G CA 0.946 46.049 45.100 0.005 0.000 0.736 250 G HN 0.774 nan 8.290 nan 0.000 0.513 251 I N -3.471 117.159 120.570 0.100 0.000 3.217 251 I HA 0.841 5.011 4.170 -0.001 0.000 0.308 251 I C 0.684 176.833 176.117 0.052 0.000 1.091 251 I CA -1.632 59.723 61.300 0.091 0.000 1.013 251 I CB 1.440 39.501 38.000 0.102 0.000 1.250 251 I HN 0.029 nan 8.210 nan 0.000 0.496 252 C N 1.161 120.486 119.300 0.042 0.000 2.364 252 C HA 0.953 5.413 4.460 -0.001 0.000 0.356 252 C C 0.567 175.568 174.990 0.018 0.000 1.201 252 C CA 0.054 59.085 59.018 0.022 0.000 2.227 252 C CB 0.289 28.041 27.740 0.021 0.000 2.387 252 C HN 1.056 nan 8.230 nan 0.000 0.546 253 G N 0.531 109.335 108.800 0.007 0.000 2.646 253 G HA2 0.616 4.576 3.960 -0.001 0.000 0.291 253 G HA3 0.616 4.576 3.960 -0.001 0.000 0.291 253 G C -2.290 172.612 174.900 0.003 0.000 1.445 253 G CA -0.364 44.740 45.100 0.006 0.000 0.814 253 G HN 0.675 nan 8.290 nan 0.000 0.495 254 L N 0.107 121.336 121.223 0.010 0.000 2.436 254 L HA 0.692 5.031 4.340 -0.001 0.000 0.268 254 L C -0.348 176.534 176.870 0.020 0.000 0.974 254 L CA -0.773 54.077 54.840 0.016 0.000 0.826 254 L CB 2.105 44.182 42.059 0.030 0.000 1.291 254 L HN 0.507 nan 8.230 nan 0.000 0.406 255 K N 6.539 126.946 120.400 0.012 0.000 2.268 255 K HA 0.491 4.811 4.320 -0.001 0.000 0.276 255 K C -2.470 174.142 176.600 0.021 0.000 1.080 255 K CA -1.682 54.615 56.287 0.018 0.000 0.910 255 K CB 0.954 33.456 32.500 0.004 0.000 1.163 255 K HN 0.344 nan 8.250 nan 0.000 0.465 256 P HA -0.008 nan 4.420 nan 0.000 0.271 256 P C -0.696 176.588 177.300 -0.028 0.000 1.244 256 P CA -0.216 62.895 63.100 0.018 0.000 0.793 256 P CB 0.345 32.079 31.700 0.057 0.000 0.984 257 T N 0.630 115.119 114.554 -0.108 0.000 2.923 257 T HA -0.016 4.334 4.350 -0.001 0.000 0.320 257 T C 1.931 176.537 174.700 -0.157 0.000 1.074 257 T CA 0.841 62.792 62.100 -0.250 0.000 1.131 257 T CB -0.167 68.301 68.868 -0.667 0.000 1.058 257 T HN 0.624 nan 8.240 nan 0.000 0.535 258 G N 1.595 110.306 108.800 -0.149 0.000 2.503 258 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.221 258 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.221 258 G C 1.096 176.003 174.900 0.012 0.000 1.131 258 G CA 0.749 45.818 45.100 -0.051 0.000 0.756 258 G HN 0.825 nan 8.290 nan 0.000 0.572 259 N N -0.910 117.800 118.700 0.017 0.000 2.238 259 N HA 0.136 4.876 4.740 -0.001 0.000 0.222 259 N C 1.863 177.579 175.510 0.343 0.000 1.133 259 N CA -0.421 52.751 53.050 0.205 0.000 0.854 259 N CB 0.165 38.856 38.487 0.341 0.000 1.041 259 N HN 0.031 nan 8.380 nan 0.000 0.510 260 R N 0.182 120.837 120.500 0.259 0.000 2.093 260 R HA 0.189 4.529 4.340 -0.001 0.000 0.224 260 R C 0.079 176.549 176.300 0.283 0.000 1.101 260 R CA 1.199 57.496 56.100 0.328 0.000 0.979 260 R CB 0.096 30.539 30.300 0.237 0.000 0.877 260 R HN 0.142 nan 8.270 nan 0.000 0.441 261 L N -0.748 120.603 121.223 0.214 0.000 2.323 261 L HA 0.432 4.771 4.340 -0.001 0.000 0.265 261 L C 0.062 177.037 176.870 0.175 0.000 1.012 261 L CA -1.158 53.800 54.840 0.197 0.000 0.820 261 L CB 1.703 43.860 42.059 0.164 0.000 1.334 261 L HN -0.091 nan 8.230 nan 0.000 0.427 262 S N 0.005 115.803 115.700 0.164 0.000 2.562 262 S HA 0.121 4.591 4.470 -0.001 0.000 0.281 262 S C 0.568 175.242 174.600 0.123 0.000 1.333 262 S CA -0.075 58.208 58.200 0.138 0.000 1.052 262 S CB 0.551 63.825 63.200 0.124 0.000 0.884 262 S HN 0.670 nan 8.310 nan 0.000 0.506 263 K N 2.424 122.881 120.400 0.096 0.000 2.358 263 K HA 0.126 4.446 4.320 -0.001 0.000 0.200 263 K C 1.883 178.516 176.600 0.055 0.000 1.030 263 K CA 0.041 56.369 56.287 0.068 0.000 1.097 263 K CB 0.098 32.635 32.500 0.061 0.000 0.862 263 K HN 0.575 nan 8.250 nan 0.000 0.534 264 S N 0.394 116.132 115.700 0.062 0.000 2.420 264 S HA -0.132 4.338 4.470 -0.001 0.000 0.237 264 S C 1.405 176.022 174.600 0.029 0.000 1.023 264 S CA 1.563 59.788 58.200 0.042 0.000 0.991 264 S CB -0.028 63.199 63.200 0.046 0.000 0.792 264 S HN 0.509 nan 8.310 nan 0.000 0.488 265 G N 0.113 108.941 108.800 0.046 0.000 3.863 265 G HA2 0.425 4.385 3.960 -0.001 0.000 0.290 265 G HA3 0.425 4.385 3.960 -0.001 0.000 0.290 265 G C -0.434 174.494 174.900 0.046 0.000 1.018 265 G CA -0.429 44.699 45.100 0.047 0.000 0.824 265 G HN 0.277 nan 8.290 nan 0.000 0.507 266 L N 0.960 122.191 121.223 0.014 0.000 2.380 266 L HA 0.364 4.704 4.340 -0.001 0.000 0.273 266 L C 0.496 177.407 176.870 0.068 0.000 1.138 266 L CA -0.221 54.588 54.840 -0.052 0.000 0.832 266 L CB 1.226 43.206 42.059 -0.131 0.000 1.124 266 L HN -0.046 nan 8.230 nan 0.000 0.454 267 K N 1.757 122.177 120.400 0.033 0.000 2.312 267 K HA 0.581 4.901 4.320 -0.001 0.000 0.287 267 K C -0.132 176.461 176.600 -0.011 0.000 1.062 267 K CA 0.017 56.358 56.287 0.090 0.000 0.934 267 K CB 0.711 33.241 32.500 0.050 0.000 1.027 267 K HN 0.713 nan 8.250 nan 0.000 0.478 268 G N 1.656 110.391 108.800 -0.109 0.000 2.519 268 G HA2 0.271 4.231 3.960 -0.001 0.000 0.307 268 G HA3 0.271 4.231 3.960 -0.001 0.000 0.307 268 G C 0.627 175.199 174.900 -0.548 0.000 1.266 268 G CA -0.669 44.223 45.100 -0.348 0.000 0.970 268 G HN 0.907 nan 8.290 nan 0.000 0.481 269 C N 0.069 119.186 119.300 -0.306 0.000 2.504 269 C HA 0.407 4.867 4.460 -0.001 0.000 0.279 269 C C 1.061 175.924 174.990 -0.211 0.000 1.358 269 C CA 0.426 59.317 59.018 -0.211 0.000 1.747 269 C CB -0.911 26.789 27.740 -0.067 0.000 2.037 269 C HN 0.767 nan 8.230 nan 0.000 0.503 270 V N 1.075 120.880 119.914 -0.182 0.000 2.448 270 V HA 0.689 4.808 4.120 -0.001 0.000 0.295 270 V C -1.382 174.561 176.094 -0.251 0.000 1.025 270 V CA -0.662 61.554 62.300 -0.140 0.000 0.859 270 V CB 1.025 32.898 31.823 0.083 0.000 0.988 270 V HN 0.444 nan 8.190 nan 0.000 0.431 271 Y N 3.984 124.319 120.300 0.058 0.000 2.453 271 Y HA 0.793 5.343 4.550 -0.001 0.000 0.326 271 Y C 1.346 177.274 175.900 0.046 0.000 1.186 271 Y CA 0.001 58.126 58.100 0.042 0.000 1.200 271 Y CB 1.990 40.469 38.460 0.033 0.000 1.247 271 Y HN 1.084 nan 8.280 nan 0.000 0.482 272 G N 0.695 109.629 108.800 0.223 0.000 2.134 272 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.209 272 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.209 272 G C -0.315 174.648 174.900 0.104 0.000 0.993 272 G CA -0.623 44.563 45.100 0.143 0.000 0.669 272 G HN 0.446 nan 8.290 nan 0.000 0.519 273 Q N 0.806 120.659 119.800 0.088 0.000 2.303 273 Q HA 0.580 4.920 4.340 -0.001 0.000 0.257 273 Q C 1.222 177.248 176.000 0.044 0.000 0.941 273 Q CA 0.655 56.490 55.803 0.053 0.000 0.931 273 Q CB 1.216 29.969 28.738 0.024 0.000 1.215 273 Q HN 0.539 nan 8.270 nan 0.000 0.437 274 T N -1.160 113.419 114.554 0.042 0.000 2.969 274 T HA 0.379 4.728 4.350 -0.001 0.000 0.258 274 T C 0.616 175.330 174.700 0.023 0.000 0.962 274 T CA 0.135 62.258 62.100 0.038 0.000 0.903 274 T CB 0.414 69.314 68.868 0.052 0.000 1.177 274 T HN 0.466 nan 8.240 nan 0.000 0.511 275 A N 2.082 124.911 122.820 0.016 0.000 2.407 275 A HA 0.600 4.920 4.320 -0.001 0.000 0.248 275 A C 0.623 178.184 177.584 -0.038 0.000 1.082 275 A CA -0.276 51.755 52.037 -0.011 0.000 0.785 275 A CB -0.374 18.617 19.000 -0.016 0.000 1.020 275 A HN 1.157 nan 8.150 nan 0.000 0.489 276 V N 2.233 122.111 119.914 -0.059 0.000 3.814 276 V HA -0.165 3.955 4.120 -0.001 0.000 0.480 276 V C -0.023 176.038 176.094 -0.055 0.000 0.682 276 V CA 0.615 62.868 62.300 -0.078 0.000 1.959 276 V CB -1.791 29.962 31.823 -0.116 0.000 2.372 276 V HN 0.969 nan 8.190 nan 0.000 0.501 277 Q N 3.011 122.783 119.800 -0.046 0.000 2.286 277 Q HA 0.540 4.879 4.340 -0.001 0.000 0.257 277 Q C 0.038 176.022 176.000 -0.028 0.000 0.941 277 Q CA -0.629 55.157 55.803 -0.029 0.000 0.912 277 Q CB 1.987 30.706 28.738 -0.031 0.000 1.192 277 Q HN 0.756 nan 8.270 nan 0.000 0.410 278 L N 1.988 123.202 121.223 -0.015 0.000 2.395 278 L HA 0.343 4.683 4.340 -0.001 0.000 0.269 278 L C -0.601 176.270 176.870 0.003 0.000 1.133 278 L CA 0.506 55.340 54.840 -0.011 0.000 0.812 278 L CB 0.971 43.025 42.059 -0.008 0.000 1.125 278 L HN 0.668 nan 8.230 nan 0.000 0.452 279 S N 3.912 119.618 115.700 0.009 0.000 2.596 279 S HA 0.777 5.247 4.470 -0.001 0.000 0.270 279 S C -0.979 173.653 174.600 0.054 0.000 1.155 279 S CA -0.973 57.245 58.200 0.030 0.000 0.827 279 S CB 1.232 64.445 63.200 0.021 0.000 1.130 279 S HN 0.789 nan 8.310 nan 0.000 0.467 280 L N -1.201 120.080 121.223 0.097 0.000 2.341 280 L HA 1.098 5.438 4.340 -0.001 0.000 0.267 280 L C 0.106 177.065 176.870 0.148 0.000 1.009 280 L CA -0.666 54.277 54.840 0.171 0.000 0.819 280 L CB 1.504 43.745 42.059 0.303 0.000 1.323 280 L HN 1.062 nan 8.230 nan 0.000 0.425 281 G N 0.077 108.964 108.800 0.146 0.000 2.506 281 G HA2 0.587 4.547 3.960 -0.001 0.000 0.292 281 G HA3 0.587 4.547 3.960 -0.001 0.000 0.292 281 G C -3.343 171.589 174.900 0.053 0.000 1.425 281 G CA -0.914 44.237 45.100 0.085 0.000 0.788 281 G HN 0.493 nan 8.290 nan 0.000 0.490 282 P HA 0.449 nan 4.420 nan 0.000 0.274 282 P C -0.775 176.524 177.300 -0.001 0.000 1.231 282 P CA -0.083 63.009 63.100 -0.013 0.000 0.790 282 P CB 1.156 32.839 31.700 -0.028 0.000 0.951 283 M N 1.439 121.033 119.600 -0.010 0.000 2.327 283 M HA 0.706 5.185 4.480 -0.001 0.000 0.298 283 M C -0.477 175.823 176.300 -0.000 0.000 1.065 283 M CA -0.381 54.921 55.300 0.004 0.000 0.916 283 M CB 2.718 35.328 32.600 0.017 0.000 1.630 283 M HN 0.474 nan 8.290 nan 0.000 0.442 284 A N 1.884 124.712 122.820 0.013 0.000 2.493 284 A HA 0.625 4.945 4.320 -0.001 0.000 0.300 284 A C -0.286 177.321 177.584 0.039 0.000 1.152 284 A CA -0.700 51.346 52.037 0.016 0.000 0.643 284 A CB 1.307 20.305 19.000 -0.003 0.000 1.316 284 A HN 0.887 nan 8.150 nan 0.000 0.469 285 R N -0.424 120.104 120.500 0.046 0.000 2.200 285 R HA 0.081 4.421 4.340 -0.001 0.000 0.208 285 R C -0.595 175.738 176.300 0.055 0.000 1.033 285 R CA 1.649 57.787 56.100 0.064 0.000 1.000 285 R CB -0.020 30.324 30.300 0.074 0.000 0.906 285 R HN 0.853 nan 8.270 nan 0.000 0.462 286 D N -2.591 117.835 120.400 0.043 0.000 2.559 286 D HA 0.057 4.697 4.640 -0.001 0.000 0.250 286 D C 0.594 176.917 176.300 0.039 0.000 1.135 286 D CA -0.763 53.262 54.000 0.042 0.000 0.955 286 D CB 1.278 42.107 40.800 0.047 0.000 1.442 286 D HN -0.184 nan 8.370 nan 0.000 0.471 287 V N -0.957 118.988 119.914 0.051 0.000 2.871 287 V HA -0.040 4.079 4.120 -0.001 0.000 0.256 287 V C 1.583 177.723 176.094 0.076 0.000 1.082 287 V CA 1.448 63.786 62.300 0.064 0.000 1.105 287 V CB -0.616 31.260 31.823 0.087 0.000 0.713 287 V HN 0.564 nan 8.190 nan 0.000 0.473 288 E N 1.391 121.650 120.200 0.099 0.000 2.110 288 E HA -0.117 4.232 4.350 -0.001 0.000 0.193 288 E C 2.369 178.976 176.600 0.011 0.000 0.988 288 E CA 1.860 58.325 56.400 0.109 0.000 0.804 288 E CB -0.313 29.453 29.700 0.110 0.000 0.745 288 E HN 0.769 nan 8.360 nan 0.000 0.458 289 S N 0.273 115.972 115.700 -0.002 0.000 2.368 289 S HA -0.125 4.345 4.470 -0.001 0.000 0.225 289 S C 1.942 176.497 174.600 -0.075 0.000 1.030 289 S CA 0.900 59.078 58.200 -0.037 0.000 0.999 289 S CB -0.273 62.915 63.200 -0.021 0.000 0.844 289 S HN 0.211 nan 8.310 nan 0.000 0.459 290 L N 1.225 122.412 121.223 -0.060 0.000 2.046 290 L HA -0.075 4.265 4.340 -0.001 0.000 0.208 290 L C 2.802 179.583 176.870 -0.147 0.000 1.077 290 L CA 1.237 56.034 54.840 -0.072 0.000 0.747 290 L CB -0.774 41.269 42.059 -0.028 0.000 0.896 290 L HN 0.337 nan 8.230 nan 0.000 0.432 291 A N -0.284 122.401 122.820 -0.226 0.000 2.014 291 A HA -0.089 4.230 4.320 -0.001 0.000 0.218 291 A C 2.317 179.524 177.584 -0.629 0.000 1.163 291 A CA 0.892 52.631 52.037 -0.497 0.000 0.652 291 A CB -0.432 18.111 19.000 -0.761 0.000 0.808 291 A HN 0.344 nan 8.150 nan 0.000 0.449 292 L N -0.868 120.148 121.223 -0.345 0.000 1.988 292 L HA -0.214 4.125 4.340 -0.001 0.000 0.207 292 L C 2.723 179.433 176.870 -0.267 0.000 1.071 292 L CA 1.895 56.568 54.840 -0.279 0.000 0.744 292 L CB -0.557 41.417 42.059 -0.142 0.000 0.893 292 L HN 0.558 nan 8.230 nan 0.000 0.433 293 C N 0.073 119.256 119.300 -0.196 0.000 2.398 293 C HA -0.237 4.222 4.460 -0.001 0.000 0.276 293 C C 2.816 177.709 174.990 -0.162 0.000 1.222 293 C CA 0.848 59.775 59.018 -0.152 0.000 1.746 293 C CB -0.963 26.711 27.740 -0.109 0.000 2.039 293 C HN 0.478 nan 8.230 nan 0.000 0.470 294 L N 0.198 121.299 121.223 -0.204 0.000 2.046 294 L HA -0.174 4.166 4.340 -0.001 0.000 0.208 294 L C 2.642 179.376 176.870 -0.227 0.000 1.077 294 L CA 2.079 56.832 54.840 -0.146 0.000 0.747 294 L CB -0.809 41.229 42.059 -0.035 0.000 0.896 294 L HN 0.445 nan 8.230 nan 0.000 0.432 295 K N -0.346 119.703 120.400 -0.584 0.000 2.147 295 K HA -0.143 4.177 4.320 -0.001 0.000 0.205 295 K C 1.981 178.475 176.600 -0.176 0.000 1.049 295 K CA 1.230 57.250 56.287 -0.445 0.000 0.936 295 K CB -0.003 32.127 32.500 -0.616 0.000 0.722 295 K HN 0.320 nan 8.250 nan 0.000 0.446 296 A N 0.149 122.867 122.820 -0.169 0.000 2.014 296 A HA -0.070 4.250 4.320 -0.001 0.000 0.218 296 A C 1.762 179.293 177.584 -0.088 0.000 1.163 296 A CA 0.966 52.941 52.037 -0.103 0.000 0.652 296 A CB -0.206 18.736 19.000 -0.097 0.000 0.808 296 A HN 0.204 nan 8.150 nan 0.000 0.449 297 L N -1.164 120.008 121.223 -0.085 0.000 2.249 297 L HA 0.154 4.494 4.340 -0.001 0.000 0.207 297 L C 0.950 177.748 176.870 -0.119 0.000 1.090 297 L CA 0.897 55.695 54.840 -0.070 0.000 0.802 297 L CB -0.561 41.484 42.059 -0.023 0.000 0.947 297 L HN 0.200 nan 8.230 nan 0.000 0.453 298 L N 0.494 121.678 121.223 -0.066 0.000 2.968 298 L HA 0.141 4.481 4.340 -0.001 0.000 0.235 298 L C 0.357 177.079 176.870 -0.247 0.000 1.323 298 L CA -0.296 54.517 54.840 -0.045 0.000 1.159 298 L CB -1.429 40.804 42.059 0.290 0.000 1.523 298 L HN 0.313 nan 8.230 nan 0.000 0.468 299 C N -4.152 114.864 119.300 -0.474 0.000 2.401 299 C HA 0.742 5.202 4.460 -0.001 0.000 0.356 299 C C 1.938 176.576 174.990 -0.587 0.000 1.192 299 C CA -0.257 58.560 59.018 -0.335 0.000 2.028 299 C CB 0.813 28.468 27.740 -0.141 0.000 2.344 299 C HN 0.583 nan 8.230 nan 0.000 0.525 300 E N -0.943 119.125 120.200 -0.220 0.000 2.331 300 E HA -0.219 4.131 4.350 -0.001 0.000 0.199 300 E C 1.672 178.188 176.600 -0.142 0.000 1.008 300 E CA 1.969 58.316 56.400 -0.089 0.000 0.843 300 E CB -0.994 28.685 29.700 -0.034 0.000 0.761 300 E HN 0.874 nan 8.360 nan 0.000 0.507 301 H N -0.790 118.189 119.070 -0.150 0.000 2.321 301 H HA -0.042 4.514 4.556 -0.001 0.000 0.300 301 H C 2.340 177.588 175.328 -0.134 0.000 1.087 301 H CA 1.767 57.747 56.048 -0.114 0.000 1.319 301 H CB -0.405 29.294 29.762 -0.104 0.000 1.379 301 H HN 0.432 nan 8.280 nan 0.000 0.501 302 L N 0.371 121.506 121.223 -0.147 0.000 2.056 302 L HA -0.122 4.218 4.340 -0.001 0.000 0.207 302 L C 1.702 178.564 176.870 -0.013 0.000 1.078 302 L CA 1.371 56.121 54.840 -0.149 0.000 0.749 302 L CB -0.645 41.240 42.059 -0.290 0.000 0.901 302 L HN -0.019 nan 8.230 nan 0.000 0.433 303 F N -0.988 118.998 119.950 0.061 0.000 2.771 303 F HA 0.014 4.541 4.527 -0.001 0.000 0.299 303 F C 2.087 177.906 175.800 0.032 0.000 1.177 303 F CA 0.885 58.909 58.000 0.039 0.000 1.450 303 F CB -1.577 37.437 39.000 0.023 0.000 1.114 303 F HN 0.087 nan 8.300 nan 0.000 0.587 304 T N -0.987 113.664 114.554 0.161 0.000 3.056 304 T HA 0.160 4.510 4.350 -0.001 0.000 0.243 304 T C 2.036 176.788 174.700 0.087 0.000 0.995 304 T CA 0.050 62.214 62.100 0.108 0.000 1.091 304 T CB -0.185 68.732 68.868 0.081 0.000 0.990 304 T HN 0.096 nan 8.240 nan 0.000 0.464 305 L N 1.024 122.296 121.223 0.082 0.000 2.265 305 L HA 0.034 4.374 4.340 -0.001 0.000 0.215 305 L C 0.506 177.416 176.870 0.066 0.000 1.117 305 L CA 0.949 55.826 54.840 0.061 0.000 0.782 305 L CB 0.088 42.172 42.059 0.042 0.000 0.914 305 L HN 0.196 nan 8.230 nan 0.000 0.441 306 D N -1.531 118.925 120.400 0.093 0.000 2.323 306 D HA 0.175 4.814 4.640 -0.001 0.000 0.242 306 D C -2.176 174.201 176.300 0.128 0.000 1.347 306 D CA -1.489 52.570 54.000 0.099 0.000 0.988 306 D CB 1.475 42.337 40.800 0.103 0.000 1.314 306 D HN -0.209 nan 8.370 nan 0.000 0.564 307 P HA 0.008 nan 4.420 nan 0.000 0.242 307 P C 1.296 178.631 177.300 0.059 0.000 1.197 307 P CA 0.600 63.749 63.100 0.082 0.000 0.765 307 P CB 0.083 31.815 31.700 0.053 0.000 0.936 308 T N -3.797 110.797 114.554 0.066 0.000 2.951 308 T HA 0.006 4.355 4.350 -0.001 0.000 0.268 308 T C 0.877 175.619 174.700 0.069 0.000 1.073 308 T CA 0.278 62.413 62.100 0.057 0.000 1.134 308 T CB -0.981 67.922 68.868 0.059 0.000 0.884 308 T HN -0.161 nan 8.240 nan 0.000 0.479 309 V N 5.135 125.112 119.914 0.105 0.000 2.521 309 V HA 0.256 4.375 4.120 -0.001 0.000 0.286 309 V C -1.936 174.166 176.094 0.013 0.000 1.034 309 V CA -1.913 60.464 62.300 0.129 0.000 1.045 309 V CB 0.656 32.621 31.823 0.236 0.000 0.974 309 V HN 0.406 nan 8.190 nan 0.000 0.480 310 P HA 0.167 nan 4.420 nan 0.000 0.271 310 P C -2.536 174.458 177.300 -0.509 0.000 1.226 310 P CA -1.618 61.318 63.100 -0.273 0.000 0.765 310 P CB 0.237 31.704 31.700 -0.388 0.000 0.835 311 P HA 0.176 nan 4.420 nan 0.000 0.237 311 P C -0.511 176.182 177.300 -1.011 0.000 1.788 311 P CA 0.190 62.369 63.100 -1.536 0.000 1.061 311 P CB -0.064 31.117 31.700 -0.864 0.000 1.967 312 L N 5.178 125.949 121.223 -0.752 0.000 2.264 312 L HA 0.386 4.726 4.340 -0.001 0.000 0.287 312 L C -1.832 175.069 176.870 0.051 0.000 1.039 312 L CA -2.278 52.410 54.840 -0.253 0.000 0.829 312 L CB 1.543 43.509 42.059 -0.154 0.000 1.211 312 L HN 0.071 nan 8.230 nan 0.000 0.427 313 P HA 0.003 nan 4.420 nan 0.000 0.274 313 P C -0.519 176.922 177.300 0.235 0.000 1.231 313 P CA -0.413 62.861 63.100 0.290 0.000 0.790 313 P CB 0.711 32.538 31.700 0.211 0.000 0.951 314 F N 3.080 123.109 119.950 0.132 0.000 2.557 314 F HA 0.050 4.577 4.527 -0.001 0.000 0.384 314 F C 1.034 176.881 175.800 0.078 0.000 1.057 314 F CA 0.121 58.171 58.000 0.084 0.000 1.169 314 F CB 0.267 39.295 39.000 0.047 0.000 1.070 314 F HN 0.132 nan 8.300 nan 0.000 0.554 315 R N 5.405 125.717 120.500 -0.313 0.000 2.210 315 R HA 0.037 4.377 4.340 -0.001 0.000 0.338 315 R C 0.904 177.082 176.300 -0.204 0.000 1.062 315 R CA -0.246 55.746 56.100 -0.179 0.000 0.902 315 R CB 0.903 31.116 30.300 -0.145 0.000 1.050 315 R HN 0.714 nan 8.270 nan 0.000 0.461 316 E N 2.651 122.915 120.200 0.106 0.000 2.208 316 E HA -0.184 4.166 4.350 -0.001 0.000 0.193 316 E C 1.526 178.225 176.600 0.165 0.000 0.988 316 E CA 1.263 57.828 56.400 0.275 0.000 0.828 316 E CB 0.373 30.239 29.700 0.277 0.000 0.763 316 E HN 0.574 nan 8.360 nan 0.000 0.478 317 E N 0.021 120.265 120.200 0.073 0.000 2.072 317 E HA -0.121 4.229 4.350 -0.001 0.000 0.190 317 E C 2.089 178.701 176.600 0.020 0.000 0.982 317 E CA 1.203 57.627 56.400 0.040 0.000 0.803 317 E CB -0.508 29.206 29.700 0.023 0.000 0.755 317 E HN 0.224 nan 8.360 nan 0.000 0.453 318 V N 0.713 120.628 119.914 0.000 0.000 2.515 318 V HA -0.220 3.899 4.120 -0.001 0.000 0.250 318 V C 2.277 178.397 176.094 0.043 0.000 1.058 318 V CA 1.740 64.038 62.300 -0.004 0.000 1.064 318 V CB -0.892 30.904 31.823 -0.045 0.000 0.675 318 V HN 0.241 nan 8.190 nan 0.000 0.461 319 Y N 1.343 121.608 120.300 -0.059 0.000 2.243 319 Y HA 0.019 4.569 4.550 -0.001 0.000 0.293 319 Y C 2.397 178.347 175.900 0.082 0.000 1.124 319 Y CA 1.279 59.394 58.100 0.025 0.000 1.159 319 Y CB -0.023 38.492 38.460 0.092 0.000 1.008 319 Y HN 0.026 nan 8.280 nan 0.000 0.527 320 R N 0.410 120.802 120.500 -0.180 0.000 2.320 320 R HA 0.106 4.446 4.340 -0.001 0.000 0.211 320 R C 0.844 177.072 176.300 -0.120 0.000 0.931 320 R CA 0.227 56.188 56.100 -0.230 0.000 1.071 320 R CB -0.129 30.130 30.300 -0.069 0.000 1.025 320 R HN 0.131 nan 8.270 nan 0.000 0.495 321 S N 0.782 116.438 115.700 -0.074 0.000 2.584 321 S HA 0.047 4.517 4.470 -0.001 0.000 0.270 321 S C 0.948 175.536 174.600 -0.020 0.000 1.346 321 S CA -0.120 58.062 58.200 -0.029 0.000 1.018 321 S CB 0.677 63.875 63.200 -0.005 0.000 0.899 321 S HN 0.388 nan 8.310 nan 0.000 0.542 322 S N 0.482 116.181 115.700 -0.001 0.000 3.009 322 S HA 0.323 4.793 4.470 -0.001 0.000 0.254 322 S C 0.408 175.018 174.600 0.016 0.000 1.004 322 S CA -0.294 57.915 58.200 0.015 0.000 1.119 322 S CB -0.134 63.066 63.200 0.000 0.000 1.075 322 S HN 0.934 nan 8.310 nan 0.000 0.618 323 R N 3.154 123.664 120.500 0.017 0.000 2.522 323 R HA 0.548 4.888 4.340 -0.001 0.000 0.284 323 R C -2.450 173.870 176.300 0.033 0.000 1.032 323 R CA -1.032 55.075 56.100 0.011 0.000 1.049 323 R CB -1.503 28.803 30.300 0.010 0.000 0.956 323 R HN 0.467 nan 8.270 nan 0.000 0.422 324 P HA 0.194 nan 4.420 nan 0.000 0.269 324 P C -0.730 176.635 177.300 0.109 0.000 1.209 324 P CA -0.207 62.879 63.100 -0.024 0.000 0.776 324 P CB 0.603 32.229 31.700 -0.124 0.000 0.876 325 L N 2.693 124.110 121.223 0.323 0.000 2.331 325 L HA 0.449 4.789 4.340 -0.001 0.000 0.275 325 L C 1.119 178.023 176.870 0.057 0.000 1.022 325 L CA -0.903 54.026 54.840 0.147 0.000 0.812 325 L CB 1.325 43.418 42.059 0.056 0.000 1.257 325 L HN 0.212 nan 8.230 nan 0.000 0.435 326 R N 2.176 122.647 120.500 -0.048 0.000 2.220 326 R HA 0.352 4.691 4.340 -0.001 0.000 0.340 326 R C -1.109 175.059 176.300 -0.220 0.000 1.076 326 R CA -0.445 55.595 56.100 -0.100 0.000 0.920 326 R CB 0.911 31.143 30.300 -0.112 0.000 1.062 326 R HN 0.287 nan 8.270 nan 0.000 0.469 327 V N 3.108 122.911 119.914 -0.185 0.000 2.311 327 V HA 0.251 4.371 4.120 -0.001 0.000 0.275 327 V C 0.945 176.953 176.094 -0.143 0.000 1.022 327 V CA -0.858 61.278 62.300 -0.273 0.000 0.830 327 V CB 1.362 33.071 31.823 -0.189 0.000 1.012 327 V HN 0.903 nan 8.190 nan 0.000 0.452 328 G N 4.461 113.083 108.800 -0.296 0.000 2.432 328 G HA2 0.340 4.300 3.960 -0.001 0.000 0.239 328 G HA3 0.340 4.300 3.960 -0.001 0.000 0.239 328 G C -0.776 174.189 174.900 0.108 0.000 1.291 328 G CA 0.195 45.203 45.100 -0.153 0.000 0.863 328 G HN 0.962 nan 8.290 nan 0.000 0.560 329 Y N 0.620 120.985 120.300 0.107 0.000 2.562 329 Y HA 0.723 5.272 4.550 -0.001 0.000 0.345 329 Y C -1.253 174.810 175.900 0.272 0.000 1.045 329 Y CA -2.135 56.031 58.100 0.109 0.000 1.028 329 Y CB 1.568 40.063 38.460 0.058 0.000 1.297 329 Y HN 0.843 nan 8.280 nan 0.000 0.463 330 Y N -0.496 119.902 120.300 0.164 0.000 2.552 330 Y HA 0.571 5.121 4.550 -0.001 0.000 0.337 330 Y C -0.202 175.850 175.900 0.252 0.000 1.094 330 Y CA -1.291 56.864 58.100 0.092 0.000 1.028 330 Y CB 1.874 40.378 38.460 0.073 0.000 1.321 330 Y HN 0.737 nan 8.280 nan 0.000 0.456 331 E N 0.607 121.041 120.200 0.390 0.000 2.318 331 E HA 0.089 4.438 4.350 -0.001 0.000 0.193 331 E C -0.091 176.734 176.600 0.374 0.000 0.998 331 E CA 0.976 57.566 56.400 0.318 0.000 0.859 331 E CB 0.592 30.457 29.700 0.274 0.000 0.812 331 E HN 0.669 nan 8.360 nan 0.000 0.492 332 T N -0.385 114.475 114.554 0.510 0.000 2.840 332 T HA 0.054 4.403 4.350 -0.001 0.000 0.317 332 T C -1.277 173.728 174.700 0.509 0.000 1.401 332 T CA -0.722 61.731 62.100 0.589 0.000 1.028 332 T CB 1.330 70.482 68.868 0.473 0.000 1.317 332 T HN 0.015 nan 8.240 nan 0.000 0.495 333 D N 1.457 122.083 120.400 0.376 0.000 2.328 333 D HA 0.126 4.766 4.640 -0.001 0.000 0.221 333 D C 0.530 176.819 176.300 -0.018 0.000 1.072 333 D CA -0.110 53.899 54.000 0.015 0.000 0.850 333 D CB -0.823 39.856 40.800 -0.200 0.000 0.922 333 D HN 0.782 nan 8.370 nan 0.000 0.516 334 N N -1.680 117.018 118.700 -0.004 0.000 2.708 334 N HA -0.311 4.428 4.740 -0.001 0.000 0.251 334 N C -0.488 174.920 175.510 -0.170 0.000 1.123 334 N CA 0.986 53.834 53.050 -0.337 0.000 0.739 334 N CB -1.301 36.996 38.487 -0.317 0.000 1.113 334 N HN 0.398 nan 8.380 nan 0.000 0.561 335 Y N -0.792 119.580 120.300 0.119 0.000 3.266 335 Y HA 0.230 4.780 4.550 -0.001 0.000 0.189 335 Y C 0.446 176.658 175.900 0.520 0.000 0.895 335 Y CA 0.438 58.746 58.100 0.347 0.000 1.706 335 Y CB 0.613 39.116 38.460 0.071 0.000 1.449 335 Y HN -0.081 nan 8.280 nan 0.000 0.391 336 T N 4.177 119.032 114.554 0.502 0.000 2.729 336 T HA 0.226 4.576 4.350 -0.001 0.000 0.296 336 T C -0.134 174.902 174.700 0.560 0.000 0.928 336 T CA -0.263 62.113 62.100 0.460 0.000 1.045 336 T CB 0.210 69.319 68.868 0.402 0.000 0.902 336 T HN 0.187 nan 8.240 nan 0.000 0.500 337 M N 5.307 125.114 119.600 0.346 0.000 2.238 337 M HA 0.170 4.650 4.480 -0.001 0.000 0.350 337 M C -2.187 174.381 176.300 0.446 0.000 1.321 337 M CA -1.644 53.738 55.300 0.136 0.000 1.097 337 M CB 0.728 32.982 32.600 -0.577 0.000 1.713 337 M HN 0.251 nan 8.290 nan 0.000 0.455 338 P HA 0.105 nan 4.420 nan 0.000 0.275 338 P C -0.908 176.593 177.300 0.335 0.000 1.228 338 P CA -0.401 62.890 63.100 0.318 0.000 0.786 338 P CB 0.457 32.295 31.700 0.229 0.000 0.927 339 S N 3.359 119.159 115.700 0.167 0.000 2.566 339 S HA 0.081 4.551 4.470 -0.001 0.000 0.280 339 S C -1.439 173.219 174.600 0.096 0.000 1.343 339 S CA -0.636 57.607 58.200 0.070 0.000 1.036 339 S CB -0.641 62.520 63.200 -0.065 0.000 0.866 339 S HN 0.351 nan 8.310 nan 0.000 0.526 340 P HA -0.202 nan 4.420 nan 0.000 0.216 340 P C 1.493 178.811 177.300 0.029 0.000 1.154 340 P CA 2.134 65.272 63.100 0.063 0.000 0.865 340 P CB -0.380 31.350 31.700 0.051 0.000 0.789 341 A N -1.301 121.520 122.820 0.002 0.000 1.969 341 A HA -0.125 4.194 4.320 -0.001 0.000 0.218 341 A C 2.370 179.942 177.584 -0.020 0.000 1.169 341 A CA 1.610 53.636 52.037 -0.019 0.000 0.635 341 A CB -1.292 17.680 19.000 -0.047 0.000 0.810 341 A HN 0.122 nan 8.150 nan 0.000 0.445 342 M N -1.507 118.087 119.600 -0.011 0.000 2.123 342 M HA -0.085 4.394 4.480 -0.001 0.000 0.263 342 M C 2.358 178.655 176.300 -0.004 0.000 1.069 342 M CA 1.763 57.049 55.300 -0.022 0.000 1.133 342 M CB -0.112 32.476 32.600 -0.019 0.000 1.356 342 M HN 0.512 nan 8.290 nan 0.000 0.415 343 R N 0.175 120.698 120.500 0.037 0.000 2.083 343 R HA -0.170 4.170 4.340 -0.001 0.000 0.237 343 R C 2.221 178.543 176.300 0.037 0.000 1.137 343 R CA 1.843 57.979 56.100 0.061 0.000 0.951 343 R CB -0.351 30.002 30.300 0.088 0.000 0.851 343 R HN 0.213 nan 8.270 nan 0.000 0.434 344 R N -0.179 120.335 120.500 0.023 0.000 2.120 344 R HA -0.087 4.253 4.340 -0.001 0.000 0.234 344 R C 2.057 178.353 176.300 -0.007 0.000 1.123 344 R CA 1.276 57.382 56.100 0.010 0.000 0.975 344 R CB -0.278 30.026 30.300 0.006 0.000 0.866 344 R HN 0.389 nan 8.270 nan 0.000 0.446 345 A N 1.623 124.432 122.820 -0.017 0.000 1.841 345 A HA -0.197 4.123 4.320 -0.001 0.000 0.216 345 A C 2.095 179.659 177.584 -0.033 0.000 1.199 345 A CA 1.258 53.276 52.037 -0.033 0.000 0.621 345 A CB -0.906 18.066 19.000 -0.046 0.000 0.835 345 A HN 0.373 nan 8.150 nan 0.000 0.445 346 L N -0.097 121.111 121.223 -0.025 0.000 2.012 346 L HA -0.161 4.178 4.340 -0.001 0.000 0.210 346 L C 2.402 179.260 176.870 -0.021 0.000 1.073 346 L CA 2.151 56.979 54.840 -0.020 0.000 0.748 346 L CB -0.873 41.188 42.059 0.003 0.000 0.891 346 L HN 0.491 nan 8.230 nan 0.000 0.431 347 I N 0.062 120.629 120.570 -0.006 0.000 2.163 347 I HA -0.336 3.834 4.170 -0.001 0.000 0.243 347 I C 2.529 178.617 176.117 -0.049 0.000 1.085 347 I CA 1.395 62.680 61.300 -0.025 0.000 1.347 347 I CB -0.170 37.837 38.000 0.011 0.000 1.044 347 I HN 0.355 nan 8.210 nan 0.000 0.408 348 E N -0.118 120.062 120.200 -0.034 0.000 2.077 348 E HA -0.257 4.093 4.350 -0.001 0.000 0.193 348 E C 2.181 178.754 176.600 -0.046 0.000 0.989 348 E CA 1.945 58.325 56.400 -0.035 0.000 0.800 348 E CB -0.074 29.611 29.700 -0.026 0.000 0.746 348 E HN 0.478 nan 8.360 nan 0.000 0.452 349 T N 0.071 114.592 114.554 -0.055 0.000 2.995 349 T HA -0.100 4.249 4.350 -0.001 0.000 0.269 349 T C 1.795 176.454 174.700 -0.069 0.000 1.091 349 T CA 0.937 62.998 62.100 -0.066 0.000 1.128 349 T CB 0.013 68.828 68.868 -0.090 0.000 0.891 349 T HN -0.047 nan 8.240 nan 0.000 0.492 350 K N 0.341 120.685 120.400 -0.093 0.000 2.097 350 K HA -0.133 4.187 4.320 -0.001 0.000 0.206 350 K C 2.391 178.915 176.600 -0.126 0.000 1.049 350 K CA 1.554 57.747 56.287 -0.158 0.000 0.933 350 K CB -0.261 32.045 32.500 -0.322 0.000 0.717 350 K HN 0.464 nan 8.250 nan 0.000 0.442 351 Q N 0.036 119.781 119.800 -0.092 0.000 2.079 351 Q HA -0.028 4.312 4.340 -0.001 0.000 0.200 351 Q C 2.198 178.182 176.000 -0.027 0.000 0.974 351 Q CA 1.244 57.012 55.803 -0.059 0.000 0.840 351 Q CB 0.153 28.865 28.738 -0.043 0.000 0.898 351 Q HN 0.176 nan 8.270 nan 0.000 0.430 352 R N -0.143 120.345 120.500 -0.020 0.000 2.115 352 R HA -0.056 4.284 4.340 -0.001 0.000 0.230 352 R C 2.160 178.482 176.300 0.037 0.000 1.111 352 R CA 0.777 56.877 56.100 0.002 0.000 0.976 352 R CB -0.201 30.095 30.300 -0.008 0.000 0.870 352 R HN 0.337 nan 8.270 nan 0.000 0.445 353 L N 0.239 121.487 121.223 0.042 0.000 2.156 353 L HA -0.117 4.222 4.340 -0.001 0.000 0.208 353 L C 2.215 179.200 176.870 0.191 0.000 1.095 353 L CA 1.165 56.085 54.840 0.134 0.000 0.770 353 L CB -0.198 41.896 42.059 0.057 0.000 0.914 353 L HN 0.175 nan 8.230 nan 0.000 0.439 354 E N -0.106 120.139 120.200 0.075 0.000 2.072 354 E HA -0.194 4.155 4.350 -0.001 0.000 0.191 354 E C 2.269 178.891 176.600 0.036 0.000 0.985 354 E CA 1.031 57.460 56.400 0.048 0.000 0.801 354 E CB -0.070 29.631 29.700 0.002 0.000 0.750 354 E HN 0.473 nan 8.360 nan 0.000 0.452 355 A N 0.861 123.698 122.820 0.029 0.000 2.019 355 A HA -0.079 4.241 4.320 -0.001 0.000 0.219 355 A C 2.137 179.733 177.584 0.020 0.000 1.164 355 A CA 1.562 53.610 52.037 0.018 0.000 0.644 355 A CB -0.312 18.696 19.000 0.013 0.000 0.805 355 A HN 0.275 nan 8.150 nan 0.000 0.449 356 A N -2.191 120.660 122.820 0.052 0.000 2.307 356 A HA 0.450 4.769 4.320 -0.001 0.000 0.218 356 A C 1.659 179.186 177.584 -0.096 0.000 1.228 356 A CA 1.075 53.131 52.037 0.031 0.000 0.857 356 A CB -0.726 18.351 19.000 0.127 0.000 0.897 356 A HN 1.785 nan 8.150 nan 0.000 0.495 357 G N -1.133 107.620 108.800 -0.079 0.000 2.213 357 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.226 357 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.226 357 G C 0.090 174.884 174.900 -0.176 0.000 0.992 357 G CA 0.228 45.240 45.100 -0.147 0.000 0.632 357 G HN 0.740 nan 8.290 nan 0.000 0.511 358 H N 0.934 120.011 119.070 0.011 0.000 2.690 358 H HA 0.533 5.088 4.556 -0.001 0.000 0.365 358 H C 0.896 176.225 175.328 0.002 0.000 1.142 358 H CA 1.038 57.092 56.048 0.010 0.000 1.417 358 H CB 1.011 30.793 29.762 0.034 0.000 1.446 358 H HN 0.292 nan 8.280 nan 0.000 0.599 359 T N 2.118 116.743 114.554 0.119 0.000 2.794 359 T HA 0.369 4.719 4.350 -0.001 0.000 0.280 359 T C -0.817 173.922 174.700 0.064 0.000 0.987 359 T CA -0.990 61.148 62.100 0.063 0.000 0.993 359 T CB 0.350 69.237 68.868 0.031 0.000 0.939 359 T HN 0.247 nan 8.240 nan 0.000 0.449 360 L N 5.661 126.931 121.223 0.079 0.000 2.318 360 L HA 0.521 4.861 4.340 -0.001 0.000 0.277 360 L C -0.727 176.313 176.870 0.284 0.000 1.008 360 L CA -0.573 54.346 54.840 0.132 0.000 0.846 360 L CB 0.935 42.992 42.059 -0.004 0.000 1.220 360 L HN 0.765 nan 8.230 nan 0.000 0.423 361 I N 5.548 126.285 120.570 0.279 0.000 2.339 361 I HA 0.337 4.507 4.170 -0.001 0.000 0.290 361 I C -2.083 174.070 176.117 0.060 0.000 0.994 361 I CA -1.914 59.490 61.300 0.174 0.000 1.191 361 I CB 1.449 39.476 38.000 0.045 0.000 1.343 361 I HN 0.339 nan 8.210 nan 0.000 0.458 362 P HA 0.038 nan 4.420 nan 0.000 0.260 362 P C -1.027 176.213 177.300 -0.100 0.000 1.207 362 P CA 0.402 63.243 63.100 -0.432 0.000 0.780 362 P CB -0.069 31.477 31.700 -0.256 0.000 0.789 363 F N 5.331 125.151 119.950 -0.217 0.000 2.540 363 F HA 0.639 5.165 4.527 -0.000 0.000 0.317 363 F C -1.451 174.344 175.800 -0.007 0.000 1.104 363 F CA -1.194 56.757 58.000 -0.082 0.000 0.913 363 F CB 1.370 40.326 39.000 -0.073 0.000 1.170 363 F HN 0.050 nan 8.300 nan 0.000 0.450 364 L N 7.912 128.681 121.223 -0.756 0.000 2.410 364 L HA 0.669 5.008 4.340 -0.001 0.000 0.270 364 L C -2.647 173.645 176.870 -0.962 0.000 0.983 364 L CA -2.176 52.225 54.840 -0.731 0.000 0.822 364 L CB 2.034 43.793 42.059 -0.500 0.000 1.285 364 L HN 0.374 nan 8.230 nan 0.000 0.409 365 P HA 0.111 nan 4.420 nan 0.000 0.263 365 P C -1.248 175.924 177.300 -0.214 0.000 1.195 365 P CA 0.042 62.978 63.100 -0.273 0.000 0.762 365 P CB 0.071 31.756 31.700 -0.025 0.000 0.799 366 N N 2.302 120.914 118.700 -0.146 0.000 2.441 366 N HA -0.055 4.685 4.740 -0.001 0.000 0.251 366 N C -0.197 175.379 175.510 0.110 0.000 1.242 366 N CA -0.338 52.682 53.050 -0.051 0.000 0.898 366 N CB -0.465 38.003 38.487 -0.032 0.000 1.100 366 N HN 0.272 nan 8.380 nan 0.000 0.443 367 N N -0.215 118.519 118.700 0.056 0.000 2.721 367 N HA -0.220 4.520 4.740 -0.001 0.000 0.249 367 N C 0.218 175.754 175.510 0.044 0.000 1.072 367 N CA 0.641 53.742 53.050 0.086 0.000 0.710 367 N CB -1.034 37.538 38.487 0.140 0.000 0.993 367 N HN 0.590 nan 8.380 nan 0.000 0.547 368 I N 0.203 120.757 120.570 -0.028 0.000 2.113 368 I HA -0.271 3.899 4.170 -0.001 0.000 0.242 368 I C -0.564 175.425 176.117 -0.214 0.000 1.057 368 I CA 1.813 63.024 61.300 -0.149 0.000 1.314 368 I CB -0.662 37.223 38.000 -0.193 0.000 1.022 368 I HN 0.252 nan 8.210 nan 0.000 0.408 369 P HA -0.212 nan 4.420 nan 0.000 0.217 369 P C 1.471 178.745 177.300 -0.043 0.000 1.150 369 P CA 1.325 64.404 63.100 -0.034 0.000 0.832 369 P CB -0.147 31.652 31.700 0.166 0.000 0.787 370 Y N 0.980 121.181 120.300 -0.165 0.000 2.181 370 Y HA -0.180 4.370 4.550 -0.001 0.000 0.288 370 Y C 2.330 178.037 175.900 -0.322 0.000 1.146 370 Y CA 1.555 59.536 58.100 -0.199 0.000 1.164 370 Y CB -1.052 37.296 38.460 -0.188 0.000 0.982 370 Y HN -0.113 nan 8.280 nan 0.000 0.515 371 A N -0.132 122.383 122.820 -0.508 0.000 1.929 371 A HA -0.058 4.261 4.320 -0.001 0.000 0.216 371 A C 2.264 179.529 177.584 -0.532 0.000 1.176 371 A CA 1.534 53.119 52.037 -0.753 0.000 0.628 371 A CB -0.952 17.481 19.000 -0.945 0.000 0.816 371 A HN 0.509 nan 8.150 nan 0.000 0.444 372 L N -0.841 120.109 121.223 -0.456 0.000 2.023 372 L HA -0.150 4.190 4.340 -0.001 0.000 0.205 372 L C 2.608 179.304 176.870 -0.289 0.000 1.073 372 L CA 1.688 56.275 54.840 -0.421 0.000 0.745 372 L CB -0.675 41.006 42.059 -0.630 0.000 0.900 372 L HN 0.405 nan 8.230 nan 0.000 0.435 373 E N -0.240 119.831 120.200 -0.216 0.000 2.016 373 E HA -0.185 4.165 4.350 -0.001 0.000 0.190 373 E C 2.208 178.743 176.600 -0.108 0.000 0.985 373 E CA 1.452 57.809 56.400 -0.072 0.000 0.802 373 E CB -0.142 29.574 29.700 0.027 0.000 0.762 373 E HN 0.346 nan 8.360 nan 0.000 0.448 374 V N 0.358 120.141 119.914 -0.217 0.000 2.599 374 V HA -0.066 4.054 4.120 -0.001 0.000 0.245 374 V C 1.816 177.706 176.094 -0.341 0.000 1.046 374 V CA 1.042 63.187 62.300 -0.260 0.000 1.065 374 V CB -0.175 31.515 31.823 -0.221 0.000 0.703 374 V HN 0.164 nan 8.190 nan 0.000 0.464 375 L N 0.328 121.254 121.223 -0.494 0.000 2.071 375 L HA 0.045 4.385 4.340 -0.001 0.000 0.201 375 L C 2.809 179.503 176.870 -0.294 0.000 1.076 375 L CA 1.515 56.099 54.840 -0.427 0.000 0.755 375 L CB -0.934 40.790 42.059 -0.559 0.000 0.915 375 L HN 0.290 nan 8.230 nan 0.000 0.445 376 S N 0.677 116.193 115.700 -0.306 0.000 2.344 376 S HA -0.169 4.301 4.470 -0.001 0.000 0.217 376 S C 2.199 176.664 174.600 -0.225 0.000 1.033 376 S CA 1.316 59.364 58.200 -0.254 0.000 1.017 376 S CB -0.543 62.494 63.200 -0.271 0.000 0.941 376 S HN 0.441 nan 8.310 nan 0.000 0.430 377 A N 1.616 124.324 122.820 -0.188 0.000 1.877 377 A HA 0.101 4.421 4.320 -0.001 0.000 0.216 377 A C 2.353 179.873 177.584 -0.106 0.000 1.186 377 A CA 1.699 53.656 52.037 -0.133 0.000 0.620 377 A CB -1.476 17.550 19.000 0.043 0.000 0.822 377 A HN 0.537 nan 8.150 nan 0.000 0.443 378 G N -1.028 107.729 108.800 -0.072 0.000 2.509 378 G HA2 0.123 4.083 3.960 -0.001 0.000 0.218 378 G HA3 0.123 4.083 3.960 -0.001 0.000 0.218 378 G C 1.335 176.203 174.900 -0.052 0.000 1.124 378 G CA 1.189 46.269 45.100 -0.035 0.000 0.776 378 G HN 0.689 nan 8.290 nan 0.000 0.547 379 G N 0.748 109.484 108.800 -0.107 0.000 2.396 379 G HA2 -0.046 3.914 3.960 -0.001 0.000 0.214 379 G HA3 -0.046 3.914 3.960 -0.001 0.000 0.214 379 G C 1.702 176.533 174.900 -0.115 0.000 1.166 379 G CA 0.291 45.334 45.100 -0.096 0.000 0.793 379 G HN 0.384 nan 8.290 nan 0.000 0.533 380 L N -0.735 120.355 121.223 -0.223 0.000 2.093 380 L HA 0.106 4.446 4.340 -0.001 0.000 0.208 380 L C 1.431 178.132 176.870 -0.283 0.000 1.085 380 L CA 0.810 55.431 54.840 -0.365 0.000 0.755 380 L CB -0.190 41.480 42.059 -0.649 0.000 0.904 380 L HN 0.120 nan 8.230 nan 0.000 0.435 381 F N -0.846 119.056 119.950 -0.080 0.000 2.791 381 F HA 0.192 4.719 4.527 -0.000 0.000 0.308 381 F C 1.988 177.753 175.800 -0.059 0.000 1.138 381 F CA -0.682 57.267 58.000 -0.085 0.000 1.294 381 F CB -0.514 38.411 39.000 -0.125 0.000 0.975 381 F HN -0.120 nan 8.300 nan 0.000 0.512 382 S N 0.016 115.789 115.700 0.122 0.000 2.420 382 S HA -0.205 4.265 4.470 -0.001 0.000 0.237 382 S C 1.596 176.232 174.600 0.060 0.000 1.023 382 S CA 1.766 60.007 58.200 0.068 0.000 0.991 382 S CB -0.227 62.999 63.200 0.044 0.000 0.792 382 S HN 0.579 nan 8.310 nan 0.000 0.488 383 D N -0.378 120.070 120.400 0.079 0.000 2.363 383 D HA 0.237 4.877 4.640 -0.001 0.000 0.214 383 D C 1.202 177.523 176.300 0.034 0.000 1.093 383 D CA 0.622 54.655 54.000 0.056 0.000 0.837 383 D CB -0.256 40.586 40.800 0.069 0.000 0.948 383 D HN 0.394 nan 8.370 nan 0.000 0.507 384 G N 0.229 109.040 108.800 0.017 0.000 2.179 384 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.260 384 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.260 384 G C 1.181 176.014 174.900 -0.111 0.000 0.977 384 G CA 0.355 45.413 45.100 -0.069 0.000 0.641 384 G HN 1.362 nan 8.290 nan 0.000 0.533 385 G N -1.491 107.322 108.800 0.021 0.000 2.147 385 G HA2 0.103 4.063 3.960 -0.001 0.000 0.244 385 G HA3 0.103 4.063 3.960 -0.001 0.000 0.244 385 G C 1.335 176.317 174.900 0.136 0.000 1.005 385 G CA 1.622 46.797 45.100 0.124 0.000 0.713 385 G HN 1.997 nan 8.290 nan 0.000 0.515 386 R N 0.263 120.810 120.500 0.077 0.000 2.097 386 R HA 0.006 4.345 4.340 -0.001 0.000 0.236 386 R C 2.851 179.206 176.300 0.092 0.000 1.135 386 R CA 2.844 58.980 56.100 0.061 0.000 0.934 386 R CB -1.577 28.747 30.300 0.039 0.000 0.846 386 R HN 0.985 nan 8.270 nan 0.000 0.431 387 S N 0.199 115.969 115.700 0.117 0.000 2.378 387 S HA -0.205 4.264 4.470 -0.001 0.000 0.229 387 S C 1.832 176.535 174.600 0.171 0.000 1.052 387 S CA 1.669 59.948 58.200 0.130 0.000 1.084 387 S CB -0.607 62.676 63.200 0.139 0.000 0.950 387 S HN 0.617 nan 8.310 nan 0.000 0.440 388 F N 1.938 121.944 119.950 0.093 0.000 2.171 388 F HA -0.014 4.513 4.527 -0.001 0.000 0.300 388 F C 1.829 177.761 175.800 0.219 0.000 1.090 388 F CA 1.084 59.172 58.000 0.147 0.000 1.293 388 F CB -0.378 38.734 39.000 0.187 0.000 1.013 388 F HN 0.092 nan 8.300 nan 0.000 0.486 389 L N -0.272 120.987 121.223 0.060 0.000 2.275 389 L HA -0.187 4.153 4.340 -0.001 0.000 0.215 389 L C 2.303 179.198 176.870 0.041 0.000 1.119 389 L CA 1.000 55.839 54.840 -0.001 0.000 0.790 389 L CB -0.592 41.465 42.059 -0.003 0.000 0.919 389 L HN 0.185 nan 8.230 nan 0.000 0.443 390 Q N 0.249 120.061 119.800 0.019 0.000 2.291 390 Q HA -0.150 4.190 4.340 -0.001 0.000 0.205 390 Q C 1.544 177.514 176.000 -0.050 0.000 0.970 390 Q CA 1.222 57.024 55.803 -0.002 0.000 0.876 390 Q CB -0.007 28.737 28.738 0.010 0.000 0.935 390 Q HN 0.531 nan 8.270 nan 0.000 0.455 391 N N -1.410 117.218 118.700 -0.119 0.000 2.515 391 N HA -0.021 4.718 4.740 -0.001 0.000 0.185 391 N C -0.067 175.179 175.510 -0.440 0.000 1.109 391 N CA 0.410 53.287 53.050 -0.288 0.000 0.903 391 N CB 0.225 38.465 38.487 -0.411 0.000 0.969 391 N HN 0.165 nan 8.380 nan 0.000 0.450 392 F N 0.523 120.357 119.950 -0.192 0.000 2.653 392 F HA 0.265 4.792 4.527 -0.000 0.000 0.304 392 F C 0.518 176.236 175.800 -0.137 0.000 1.092 392 F CA -0.564 57.333 58.000 -0.170 0.000 1.279 392 F CB 0.338 39.216 39.000 -0.204 0.000 1.044 392 F HN -0.282 nan 8.300 nan 0.000 0.564 393 K N 0.867 121.274 120.400 0.012 0.000 2.367 393 K HA 0.229 4.549 4.320 -0.001 0.000 0.275 393 K C 1.214 177.777 176.600 -0.063 0.000 1.125 393 K CA 1.109 57.380 56.287 -0.027 0.000 1.133 393 K CB -0.462 32.017 32.500 -0.036 0.000 0.875 393 K HN 0.410 nan 8.250 nan 0.000 0.467 394 G N 2.678 111.430 108.800 -0.080 0.000 2.155 394 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.257 394 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.257 394 G C -0.174 174.600 174.900 -0.210 0.000 0.983 394 G CA 0.303 45.320 45.100 -0.139 0.000 0.676 394 G HN 0.654 nan 8.290 nan 0.000 0.528 395 D N -0.684 119.624 120.400 -0.153 0.000 2.217 395 D HA 0.617 5.257 4.640 -0.001 0.000 0.248 395 D C 0.654 176.866 176.300 -0.147 0.000 1.008 395 D CA -0.848 53.062 54.000 -0.151 0.000 0.914 395 D CB 0.467 41.223 40.800 -0.073 0.000 1.182 395 D HN -0.002 nan 8.370 nan 0.000 0.451 396 F N 0.521 120.499 119.950 0.047 0.000 2.506 396 F HA 0.151 4.678 4.527 -0.001 0.000 0.351 396 F C 0.867 176.752 175.800 0.142 0.000 1.136 396 F CA -0.360 57.678 58.000 0.063 0.000 1.298 396 F CB 0.745 39.761 39.000 0.027 0.000 1.145 396 F HN -0.045 nan 8.300 nan 0.000 0.593 397 V N 2.586 122.685 119.914 0.308 0.000 2.370 397 V HA 0.316 4.436 4.120 -0.001 0.000 0.283 397 V C -0.401 175.796 176.094 0.171 0.000 1.023 397 V CA -0.770 61.662 62.300 0.220 0.000 0.857 397 V CB 1.294 33.117 31.823 0.000 0.000 0.985 397 V HN 0.765 nan 8.190 nan 0.000 0.443 398 D N 7.591 128.091 120.400 0.167 0.000 2.351 398 D HA 0.289 4.929 4.640 -0.001 0.000 0.251 398 D C -1.450 174.889 176.300 0.066 0.000 1.137 398 D CA -1.475 52.588 54.000 0.105 0.000 0.879 398 D CB 2.336 43.199 40.800 0.105 0.000 1.181 398 D HN 0.514 nan 8.370 nan 0.000 0.448 399 P HA -0.157 nan 4.420 nan 0.000 0.222 399 P C 1.700 179.008 177.300 0.014 0.000 1.142 399 P CA 0.695 63.807 63.100 0.021 0.000 0.788 399 P CB -0.262 31.442 31.700 0.006 0.000 0.767 400 C N -1.730 117.579 119.300 0.015 0.000 2.435 400 C HA 0.021 4.481 4.460 -0.001 0.000 0.279 400 C C 2.387 177.381 174.990 0.007 0.000 1.321 400 C CA 0.119 59.135 59.018 -0.003 0.000 1.752 400 C CB -2.130 25.606 27.740 -0.006 0.000 1.959 400 C HN 0.031 nan 8.230 nan 0.000 0.500 401 L N 1.872 123.123 121.223 0.047 0.000 2.465 401 L HA 0.298 4.638 4.340 -0.001 0.000 0.224 401 L C 1.989 178.897 176.870 0.063 0.000 1.145 401 L CA 1.667 56.552 54.840 0.074 0.000 0.834 401 L CB -1.316 40.809 42.059 0.111 0.000 0.944 401 L HN 0.820 nan 8.230 nan 0.000 0.451 402 G N -0.257 108.569 108.800 0.043 0.000 2.550 402 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.277 402 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.277 402 G C 0.426 175.354 174.900 0.047 0.000 1.190 402 G CA 0.288 45.417 45.100 0.049 0.000 0.971 402 G HN 0.260 nan 8.290 nan 0.000 0.559 403 D N 0.640 121.082 120.400 0.070 0.000 2.363 403 D HA 0.206 4.845 4.640 -0.001 0.000 0.214 403 D C 2.292 178.625 176.300 0.054 0.000 1.093 403 D CA -0.276 53.755 54.000 0.052 0.000 0.837 403 D CB 0.444 41.278 40.800 0.057 0.000 0.948 403 D HN 0.189 nan 8.370 nan 0.000 0.507 404 L N 1.398 122.675 121.223 0.091 0.000 2.021 404 L HA -0.200 4.139 4.340 -0.001 0.000 0.215 404 L C 1.910 178.769 176.870 -0.018 0.000 1.074 404 L CA 1.543 56.437 54.840 0.091 0.000 0.760 404 L CB -0.593 41.571 42.059 0.175 0.000 0.889 404 L HN 0.013 nan 8.230 nan 0.000 0.433 405 I N -1.300 119.227 120.570 -0.073 0.000 2.252 405 I HA -0.256 3.913 4.170 -0.001 0.000 0.245 405 I C 2.610 178.641 176.117 -0.143 0.000 1.102 405 I CA 0.966 62.150 61.300 -0.193 0.000 1.385 405 I CB -1.134 36.628 38.000 -0.397 0.000 1.064 405 I HN 0.259 nan 8.210 nan 0.000 0.414 406 L N 0.630 121.798 121.223 -0.093 0.000 2.042 406 L HA -0.200 4.139 4.340 -0.001 0.000 0.210 406 L C 2.413 179.241 176.870 -0.071 0.000 1.076 406 L CA 1.828 56.628 54.840 -0.068 0.000 0.749 406 L CB -0.198 41.841 42.059 -0.033 0.000 0.893 406 L HN 0.089 nan 8.230 nan 0.000 0.432 407 I N -1.530 118.995 120.570 -0.076 0.000 2.400 407 I HA -0.237 3.932 4.170 -0.001 0.000 0.248 407 I C 2.090 178.101 176.117 -0.176 0.000 1.109 407 I CA 0.751 61.991 61.300 -0.101 0.000 1.425 407 I CB -0.094 37.856 38.000 -0.083 0.000 1.094 407 I HN 0.175 nan 8.210 nan 0.000 0.425 408 L N 0.179 121.272 121.223 -0.217 0.000 2.275 408 L HA -0.132 4.207 4.340 -0.001 0.000 0.215 408 L C 2.454 179.223 176.870 -0.169 0.000 1.119 408 L CA 1.123 55.810 54.840 -0.255 0.000 0.790 408 L CB -0.483 41.414 42.059 -0.269 0.000 0.919 408 L HN 0.138 nan 8.230 nan 0.000 0.443 409 R N -0.305 120.115 120.500 -0.134 0.000 2.236 409 R HA 0.103 4.443 4.340 -0.001 0.000 0.208 409 R C 0.465 176.699 176.300 -0.109 0.000 1.036 409 R CA 0.003 56.038 56.100 -0.108 0.000 1.001 409 R CB -0.024 30.217 30.300 -0.097 0.000 0.896 409 R HN 0.253 nan 8.270 nan 0.000 0.464 410 L N 3.435 124.588 121.223 -0.117 0.000 2.490 410 L HA 0.091 4.430 4.340 -0.001 0.000 0.274 410 L C -1.832 174.931 176.870 -0.178 0.000 1.201 410 L CA -1.674 53.090 54.840 -0.126 0.000 0.869 410 L CB -0.084 41.955 42.059 -0.034 0.000 1.123 410 L HN -0.097 nan 8.230 nan 0.000 0.484 411 P HA 0.065 nan 4.420 nan 0.000 0.270 411 P C 0.342 177.445 177.300 -0.327 0.000 1.223 411 P CA -0.291 62.636 63.100 -0.287 0.000 0.785 411 P CB 0.727 32.203 31.700 -0.372 0.000 0.923 412 S N 1.033 116.642 115.700 -0.151 0.000 2.374 412 S HA -0.155 4.315 4.470 -0.001 0.000 0.227 412 S C 1.746 176.320 174.600 -0.043 0.000 1.037 412 S CA 1.522 59.679 58.200 -0.071 0.000 1.024 412 S CB -0.863 62.351 63.200 0.023 0.000 0.861 412 S HN 0.720 nan 8.310 nan 0.000 0.456 413 W N 0.556 121.886 121.300 0.050 0.000 2.363 413 W HA -0.051 4.609 4.660 -0.001 0.000 0.296 413 W C 1.859 178.441 176.519 0.104 0.000 1.212 413 W CA 0.444 57.825 57.345 0.062 0.000 1.260 413 W CB -1.094 28.404 29.460 0.063 0.000 1.131 413 W HN 0.273 nan 8.180 nan 0.000 0.530 414 F N 2.545 122.043 119.950 -0.753 0.000 2.187 414 F HA 0.038 4.564 4.527 -0.001 0.000 0.295 414 F C 2.540 178.161 175.800 -0.298 0.000 1.091 414 F CA 1.774 59.386 58.000 -0.647 0.000 1.308 414 F CB -0.603 37.738 39.000 -1.098 0.000 1.030 414 F HN -0.302 nan 8.300 nan 0.000 0.487 415 K N 0.256 120.451 120.400 -0.342 0.000 2.044 415 K HA -0.259 4.061 4.320 -0.001 0.000 0.210 415 K C 2.502 178.969 176.600 -0.221 0.000 1.049 415 K CA 2.655 58.763 56.287 -0.298 0.000 0.927 415 K CB -0.446 31.927 32.500 -0.212 0.000 0.713 415 K HN 0.250 nan 8.250 nan 0.000 0.443 416 R N 0.766 121.195 120.500 -0.118 0.000 2.096 416 R HA -0.048 4.292 4.340 -0.001 0.000 0.235 416 R C 2.136 178.409 176.300 -0.045 0.000 1.127 416 R CA 1.770 57.842 56.100 -0.047 0.000 0.968 416 R CB -1.348 28.968 30.300 0.025 0.000 0.861 416 R HN 0.309 nan 8.270 nan 0.000 0.440 417 L N -0.030 121.165 121.223 -0.046 0.000 2.072 417 L HA 0.089 4.429 4.340 -0.001 0.000 0.205 417 L C 2.464 179.243 176.870 -0.152 0.000 1.079 417 L CA 1.350 56.167 54.840 -0.037 0.000 0.752 417 L CB -0.157 41.957 42.059 0.090 0.000 0.906 417 L HN 0.366 nan 8.230 nan 0.000 0.436 418 L N -0.887 120.125 121.223 -0.352 0.000 2.079 418 L HA -0.246 4.093 4.340 -0.001 0.000 0.210 418 L C 2.729 179.496 176.870 -0.172 0.000 1.081 418 L CA 1.502 56.133 54.840 -0.348 0.000 0.752 418 L CB -0.682 41.051 42.059 -0.543 0.000 0.896 418 L HN 0.495 nan 8.230 nan 0.000 0.433 419 S N 0.867 116.485 115.700 -0.138 0.000 2.398 419 S HA -0.182 4.288 4.470 -0.001 0.000 0.220 419 S C 1.860 176.437 174.600 -0.038 0.000 1.038 419 S CA 1.726 59.885 58.200 -0.068 0.000 1.080 419 S CB -0.345 62.823 63.200 -0.053 0.000 1.039 419 S HN 0.424 nan 8.310 nan 0.000 0.419 420 L N 0.225 121.430 121.223 -0.030 0.000 2.551 420 L HA 0.173 4.513 4.340 -0.001 0.000 0.228 420 L C 2.173 179.032 176.870 -0.018 0.000 1.153 420 L CA 1.067 55.898 54.840 -0.015 0.000 0.851 420 L CB -1.589 40.467 42.059 -0.004 0.000 0.959 420 L HN 0.329 nan 8.230 nan 0.000 0.451 421 L N -0.146 121.060 121.223 -0.029 0.000 2.095 421 L HA -0.081 4.258 4.340 -0.001 0.000 0.204 421 L C 2.360 179.220 176.870 -0.016 0.000 1.080 421 L CA 0.945 55.771 54.840 -0.023 0.000 0.759 421 L CB -0.154 41.886 42.059 -0.032 0.000 0.914 421 L HN 0.194 nan 8.230 nan 0.000 0.439 422 L N -0.320 120.900 121.223 -0.005 0.000 2.375 422 L HA -0.035 4.305 4.340 -0.001 0.000 0.215 422 L C 2.810 179.690 176.870 0.015 0.000 1.108 422 L CA 1.613 56.478 54.840 0.042 0.000 0.830 422 L CB -1.541 40.566 42.059 0.079 0.000 0.959 422 L HN 0.184 nan 8.230 nan 0.000 0.457 423 K N 1.144 121.543 120.400 -0.000 0.000 2.059 423 K HA -0.183 4.137 4.320 -0.001 0.000 0.212 423 K C 0.087 176.676 176.600 -0.018 0.000 1.050 423 K CA 2.083 58.370 56.287 0.002 0.000 0.927 423 K CB -2.607 29.896 32.500 0.005 0.000 0.714 423 K HN 0.419 nan 8.250 nan 0.000 0.447 424 P HA -0.136 nan 4.420 nan 0.000 0.216 424 P C 0.943 178.167 177.300 -0.126 0.000 1.150 424 P CA 1.067 64.125 63.100 -0.070 0.000 0.843 424 P CB 0.090 31.744 31.700 -0.075 0.000 0.787 425 L N -2.874 118.219 121.223 -0.217 0.000 2.433 425 L HA 0.222 4.561 4.340 -0.001 0.000 0.200 425 L C 1.264 177.810 176.870 -0.540 0.000 1.059 425 L CA 0.875 55.426 54.840 -0.483 0.000 0.835 425 L CB -1.331 40.263 42.059 -0.776 0.000 1.076 425 L HN -0.121 nan 8.230 nan 0.000 0.481 426 F N 1.856 121.786 119.950 -0.034 0.000 2.550 426 F HA 0.330 4.857 4.527 -0.001 0.000 0.348 426 F C -1.509 174.242 175.800 -0.082 0.000 1.219 426 F CA -1.364 56.596 58.000 -0.067 0.000 1.203 426 F CB 1.197 40.124 39.000 -0.122 0.000 1.436 426 F HN -0.093 nan 8.300 nan 0.000 0.541 427 P HA -0.111 nan 4.420 nan 0.000 0.219 427 P C 1.442 178.742 177.300 -0.001 0.000 1.150 427 P CA 1.165 64.302 63.100 0.061 0.000 0.814 427 P CB 0.270 32.036 31.700 0.110 0.000 0.787 428 R N -0.654 119.765 120.500 -0.134 0.000 2.083 428 R HA -0.088 4.252 4.340 -0.001 0.000 0.237 428 R C 2.317 178.531 176.300 -0.143 0.000 1.137 428 R CA 1.143 57.124 56.100 -0.199 0.000 0.951 428 R CB -1.165 28.861 30.300 -0.457 0.000 0.851 428 R HN 0.180 nan 8.270 nan 0.000 0.434 429 L N 0.494 121.546 121.223 -0.285 0.000 2.046 429 L HA -0.100 4.240 4.340 -0.001 0.000 0.208 429 L C 2.508 179.369 176.870 -0.015 0.000 1.077 429 L CA 1.811 56.486 54.840 -0.275 0.000 0.747 429 L CB -0.959 40.893 42.059 -0.345 0.000 0.896 429 L HN 0.170 nan 8.230 nan 0.000 0.432 430 A N -0.859 121.964 122.820 0.005 0.000 1.933 430 A HA -0.097 4.223 4.320 -0.001 0.000 0.218 430 A C 2.462 180.084 177.584 0.062 0.000 1.175 430 A CA 1.581 53.634 52.037 0.027 0.000 0.628 430 A CB -0.757 18.257 19.000 0.023 0.000 0.814 430 A HN 0.376 nan 8.150 nan 0.000 0.444 431 A N -1.521 121.357 122.820 0.096 0.000 1.969 431 A HA 0.005 4.324 4.320 -0.001 0.000 0.218 431 A C 2.046 179.761 177.584 0.218 0.000 1.169 431 A CA 1.199 53.315 52.037 0.131 0.000 0.635 431 A CB -0.654 18.427 19.000 0.134 0.000 0.810 431 A HN 0.622 nan 8.150 nan 0.000 0.445 432 F N 0.176 120.180 119.950 0.090 0.000 2.171 432 F HA -0.102 4.424 4.527 -0.001 0.000 0.300 432 F C 1.809 177.663 175.800 0.090 0.000 1.090 432 F CA 1.135 59.228 58.000 0.156 0.000 1.293 432 F CB 0.067 39.216 39.000 0.248 0.000 1.013 432 F HN 0.134 nan 8.300 nan 0.000 0.486 433 L N -0.462 120.801 121.223 0.067 0.000 2.270 433 L HA -0.126 4.214 4.340 -0.001 0.000 0.210 433 L C 1.996 178.818 176.870 -0.079 0.000 1.104 433 L CA 0.816 55.595 54.840 -0.100 0.000 0.804 433 L CB -0.710 41.290 42.059 -0.098 0.000 0.937 433 L HN 0.228 nan 8.230 nan 0.000 0.450 434 N N -0.144 118.550 118.700 -0.010 0.000 2.354 434 N HA -0.155 4.585 4.740 -0.001 0.000 0.179 434 N C 2.020 177.533 175.510 0.004 0.000 1.021 434 N CA 1.041 54.088 53.050 -0.005 0.000 0.887 434 N CB 0.288 38.786 38.487 0.019 0.000 0.974 434 N HN 0.262 nan 8.380 nan 0.000 0.437 435 S N 0.025 115.745 115.700 0.032 0.000 2.461 435 S HA 0.011 4.481 4.470 -0.001 0.000 0.228 435 S C 1.765 176.402 174.600 0.062 0.000 1.005 435 S CA 0.295 58.532 58.200 0.062 0.000 0.942 435 S CB -0.132 63.143 63.200 0.125 0.000 0.776 435 S HN 0.275 nan 8.310 nan 0.000 0.514 436 M N 1.679 121.248 119.600 -0.052 0.000 2.619 436 M HA 0.148 4.628 4.480 -0.001 0.000 0.251 436 M C 1.107 177.334 176.300 -0.122 0.000 1.106 436 M CA 0.097 55.291 55.300 -0.177 0.000 1.086 436 M CB -0.073 32.283 32.600 -0.405 0.000 1.465 436 M HN 0.278 nan 8.290 nan 0.000 0.506 437 R N 2.930 123.390 120.500 -0.067 0.000 2.538 437 R HA 0.075 4.415 4.340 -0.001 0.000 0.282 437 R C -2.829 173.457 176.300 -0.023 0.000 1.009 437 R CA -0.934 55.139 56.100 -0.045 0.000 1.063 437 R CB -0.389 29.897 30.300 -0.025 0.000 0.945 437 R HN -0.059 nan 8.270 nan 0.000 0.414 438 P HA 0.194 nan 4.420 nan 0.000 0.274 438 P C -0.369 176.929 177.300 -0.003 0.000 1.291 438 P CA 0.032 63.128 63.100 -0.008 0.000 0.815 438 P CB 0.399 32.093 31.700 -0.009 0.000 0.897 439 R N 1.511 122.011 120.500 0.001 0.000 2.571 439 R HA 0.553 4.893 4.340 -0.001 0.000 0.259 439 R C 0.862 177.148 176.300 -0.023 0.000 1.226 439 R CA -0.393 55.702 56.100 -0.008 0.000 1.157 439 R CB 0.501 30.800 30.300 -0.002 0.000 1.220 439 R HN 0.478 nan 8.270 nan 0.000 0.605 440 S N -0.972 114.700 115.700 -0.047 0.000 2.704 440 S HA 0.416 4.886 4.470 -0.001 0.000 0.305 440 S C 0.796 175.313 174.600 -0.138 0.000 1.107 440 S CA -0.364 57.786 58.200 -0.084 0.000 0.993 440 S CB 1.831 64.975 63.200 -0.094 0.000 1.110 440 S HN 0.640 nan 8.310 nan 0.000 0.534 441 A N 0.312 123.009 122.820 -0.205 0.000 1.978 441 A HA -0.102 4.218 4.320 -0.001 0.000 0.220 441 A C 2.030 179.189 177.584 -0.709 0.000 1.170 441 A CA 1.824 53.636 52.037 -0.375 0.000 0.636 441 A CB -1.090 17.686 19.000 -0.374 0.000 0.810 441 A HN 0.964 nan 8.150 nan 0.000 0.448 442 E N -0.609 119.277 120.200 -0.524 0.000 2.047 442 E HA -0.196 4.154 4.350 -0.001 0.000 0.191 442 E C 1.758 178.241 176.600 -0.195 0.000 0.987 442 E CA 1.292 57.429 56.400 -0.438 0.000 0.799 442 E CB -0.009 29.537 29.700 -0.256 0.000 0.752 442 E HN 0.392 nan 8.360 nan 0.000 0.449 443 K N 0.503 120.830 120.400 -0.121 0.000 2.296 443 K HA 0.056 4.375 4.320 -0.001 0.000 0.200 443 K C 1.890 178.500 176.600 0.016 0.000 1.048 443 K CA 0.151 56.422 56.287 -0.026 0.000 0.966 443 K CB -0.119 32.369 32.500 -0.020 0.000 0.754 443 K HN 0.129 nan 8.250 nan 0.000 0.466 444 L N -0.557 120.662 121.223 -0.006 0.000 2.017 444 L HA -0.205 4.135 4.340 -0.001 0.000 0.208 444 L C 1.539 178.546 176.870 0.229 0.000 1.073 444 L CA 1.471 56.360 54.840 0.082 0.000 0.745 444 L CB -0.301 41.805 42.059 0.078 0.000 0.894 444 L HN 0.346 nan 8.230 nan 0.000 0.432 445 W N 0.490 121.813 121.300 0.037 0.000 2.318 445 W HA -0.272 4.388 4.660 -0.000 0.000 0.313 445 W C 2.894 179.460 176.519 0.077 0.000 1.221 445 W CA 2.001 59.374 57.345 0.047 0.000 1.266 445 W CB -1.493 27.985 29.460 0.029 0.000 1.150 445 W HN 0.152 nan 8.180 nan 0.000 0.496 446 K N 0.686 121.256 120.400 0.282 0.000 1.978 446 K HA -0.168 4.152 4.320 -0.001 0.000 0.214 446 K C 2.004 178.722 176.600 0.197 0.000 1.049 446 K CA 1.945 58.368 56.287 0.227 0.000 0.939 446 K CB -1.449 31.145 32.500 0.156 0.000 0.721 446 K HN 0.226 nan 8.250 nan 0.000 0.441 447 L N 0.938 122.239 121.223 0.130 0.000 2.081 447 L HA -0.261 4.079 4.340 -0.001 0.000 0.212 447 L C 2.735 179.646 176.870 0.068 0.000 1.080 447 L CA 2.449 57.329 54.840 0.068 0.000 0.754 447 L CB -0.410 41.665 42.059 0.025 0.000 0.893 447 L HN 0.625 nan 8.230 nan 0.000 0.433 448 Q N -1.582 118.290 119.800 0.120 0.000 2.084 448 Q HA -0.283 4.056 4.340 -0.001 0.000 0.202 448 Q C 2.214 178.291 176.000 0.128 0.000 0.978 448 Q CA 1.859 57.729 55.803 0.112 0.000 0.844 448 Q CB -0.208 28.612 28.738 0.137 0.000 0.898 448 Q HN 0.734 nan 8.270 nan 0.000 0.426 449 H N 0.334 119.450 119.070 0.077 0.000 2.428 449 H HA -0.021 4.535 4.556 -0.001 0.000 0.296 449 H C 1.450 176.828 175.328 0.085 0.000 1.062 449 H CA 1.611 57.701 56.048 0.071 0.000 1.350 449 H CB 0.265 30.074 29.762 0.079 0.000 1.403 449 H HN 0.251 nan 8.280 nan 0.000 0.533 450 E N -0.106 120.071 120.200 -0.038 0.000 2.106 450 E HA -0.111 4.239 4.350 -0.001 0.000 0.192 450 E C 2.183 178.786 176.600 0.004 0.000 0.984 450 E CA 1.225 57.606 56.400 -0.032 0.000 0.806 450 E CB 0.031 29.775 29.700 0.074 0.000 0.750 450 E HN 0.538 nan 8.360 nan 0.000 0.458 451 I N 1.740 122.309 120.570 -0.002 0.000 2.252 451 I HA -0.263 3.907 4.170 -0.001 0.000 0.245 451 I C 2.683 178.825 176.117 0.042 0.000 1.102 451 I CA 1.231 62.540 61.300 0.015 0.000 1.385 451 I CB -0.351 37.637 38.000 -0.021 0.000 1.064 451 I HN 0.176 nan 8.210 nan 0.000 0.414 452 E N 1.142 121.352 120.200 0.017 0.000 2.153 452 E HA -0.250 4.099 4.350 -0.001 0.000 0.194 452 E C 2.135 178.734 176.600 -0.001 0.000 0.988 452 E CA 1.281 57.694 56.400 0.021 0.000 0.811 452 E CB -0.249 29.481 29.700 0.051 0.000 0.746 452 E HN 0.499 nan 8.360 nan 0.000 0.466 453 M N -0.272 119.297 119.600 -0.051 0.000 2.287 453 M HA -0.015 4.465 4.480 -0.001 0.000 0.266 453 M C 2.076 178.392 176.300 0.027 0.000 1.079 453 M CA 1.019 56.295 55.300 -0.039 0.000 1.146 453 M CB -0.149 32.381 32.600 -0.117 0.000 1.374 453 M HN 0.144 nan 8.290 nan 0.000 0.435 454 Y N 0.875 121.160 120.300 -0.024 0.000 2.145 454 Y HA -0.211 4.338 4.550 -0.001 0.000 0.286 454 Y C 2.475 178.369 175.900 -0.011 0.000 1.145 454 Y CA 1.665 59.766 58.100 0.001 0.000 1.148 454 Y CB -0.098 38.363 38.460 0.002 0.000 0.981 454 Y HN 0.024 nan 8.280 nan 0.000 0.507 455 R N -0.158 120.295 120.500 -0.079 0.000 2.133 455 R HA -0.273 4.066 4.340 -0.001 0.000 0.245 455 R C 2.264 178.535 176.300 -0.047 0.000 1.137 455 R CA 2.160 58.207 56.100 -0.089 0.000 0.947 455 R CB -0.313 29.995 30.300 0.013 0.000 0.865 455 R HN 0.397 nan 8.270 nan 0.000 0.437 456 Q N -0.372 119.414 119.800 -0.023 0.000 2.167 456 Q HA -0.112 4.227 4.340 -0.001 0.000 0.202 456 Q C 2.106 178.100 176.000 -0.011 0.000 0.970 456 Q CA 1.807 57.612 55.803 0.002 0.000 0.855 456 Q CB -0.275 28.470 28.738 0.011 0.000 0.911 456 Q HN 0.322 nan 8.270 nan 0.000 0.438 457 S N -0.535 115.122 115.700 -0.072 0.000 2.371 457 S HA -0.066 4.404 4.470 -0.001 0.000 0.224 457 S C 2.002 176.563 174.600 -0.066 0.000 1.029 457 S CA 1.098 59.253 58.200 -0.074 0.000 0.978 457 S CB -0.095 63.047 63.200 -0.096 0.000 0.833 457 S HN 0.139 nan 8.310 nan 0.000 0.466 458 V N 1.675 121.488 119.914 -0.169 0.000 2.515 458 V HA -0.037 4.082 4.120 -0.001 0.000 0.250 458 V C 2.373 178.641 176.094 0.290 0.000 1.058 458 V CA 1.568 63.889 62.300 0.036 0.000 1.064 458 V CB -0.698 31.044 31.823 -0.135 0.000 0.675 458 V HN 0.482 nan 8.190 nan 0.000 0.461 459 I N 0.621 121.303 120.570 0.188 0.000 2.226 459 I HA -0.245 3.925 4.170 -0.001 0.000 0.245 459 I C 2.637 178.846 176.117 0.153 0.000 1.100 459 I CA 1.552 62.935 61.300 0.139 0.000 1.374 459 I CB -0.463 37.567 38.000 0.049 0.000 1.057 459 I HN 0.279 nan 8.210 nan 0.000 0.413 460 A N -0.402 122.490 122.820 0.121 0.000 1.933 460 A HA -0.261 4.058 4.320 -0.001 0.000 0.218 460 A C 2.281 179.970 177.584 0.176 0.000 1.175 460 A CA 1.533 53.639 52.037 0.116 0.000 0.628 460 A CB -0.552 18.491 19.000 0.071 0.000 0.814 460 A HN 0.464 nan 8.150 nan 0.000 0.444 461 Q N -1.703 118.244 119.800 0.245 0.000 2.079 461 Q HA -0.172 4.168 4.340 -0.001 0.000 0.200 461 Q C 2.031 178.325 176.000 0.490 0.000 0.974 461 Q CA 1.185 57.207 55.803 0.364 0.000 0.840 461 Q CB -0.227 28.751 28.738 0.401 0.000 0.898 461 Q HN 0.912 nan 8.270 nan 0.000 0.430 462 W N 1.696 123.099 121.300 0.171 0.000 2.338 462 W HA -0.214 4.446 4.660 -0.001 0.000 0.304 462 W C 1.452 177.913 176.519 -0.097 0.000 1.212 462 W CA 1.310 58.570 57.345 -0.142 0.000 1.264 462 W CB 0.082 29.464 29.460 -0.130 0.000 1.142 462 W HN 0.067 nan 8.180 nan 0.000 0.512 463 K N -0.193 120.367 120.400 0.266 0.000 2.167 463 K HA -0.032 4.287 4.320 -0.001 0.000 0.203 463 K C 2.123 178.777 176.600 0.090 0.000 1.052 463 K CA 1.110 57.491 56.287 0.158 0.000 0.956 463 K CB -0.667 31.907 32.500 0.124 0.000 0.735 463 K HN 0.076 nan 8.250 nan 0.000 0.451 464 A N 0.853 123.736 122.820 0.105 0.000 2.019 464 A HA -0.099 4.220 4.320 -0.001 0.000 0.219 464 A C 2.001 179.620 177.584 0.059 0.000 1.164 464 A CA 1.341 53.426 52.037 0.080 0.000 0.644 464 A CB -0.236 18.822 19.000 0.097 0.000 0.805 464 A HN 0.176 nan 8.150 nan 0.000 0.449 465 M N -1.905 117.724 119.600 0.050 0.000 2.441 465 M HA 0.184 4.664 4.480 -0.001 0.000 0.244 465 M C 0.473 176.729 176.300 -0.074 0.000 1.122 465 M CA 0.147 55.444 55.300 -0.004 0.000 1.041 465 M CB -0.037 32.567 32.600 0.006 0.000 1.438 465 M HN 0.501 nan 8.290 nan 0.000 0.484 466 N N 0.903 119.567 118.700 -0.060 0.000 2.725 466 N HA -0.160 4.580 4.740 -0.001 0.000 0.251 466 N C -1.165 174.255 175.510 -0.151 0.000 1.031 466 N CA 0.095 53.110 53.050 -0.059 0.000 0.720 466 N CB -0.815 37.657 38.487 -0.026 0.000 0.930 466 N HN 0.323 nan 8.380 nan 0.000 0.543 467 L N -0.622 120.387 121.223 -0.357 0.000 2.452 467 L HA 0.177 4.517 4.340 -0.001 0.000 0.267 467 L C 1.235 177.940 176.870 -0.274 0.000 1.188 467 L CA -0.397 54.086 54.840 -0.595 0.000 0.821 467 L CB 0.474 41.663 42.059 -1.449 0.000 1.102 467 L HN 0.199 nan 8.230 nan 0.000 0.470 468 D N 0.251 120.517 120.400 -0.224 0.000 2.324 468 D HA 0.166 4.806 4.640 -0.001 0.000 0.212 468 D C 0.032 176.377 176.300 0.075 0.000 0.984 468 D CA 0.812 54.806 54.000 -0.010 0.000 0.885 468 D CB 1.289 42.048 40.800 -0.070 0.000 0.996 468 D HN 0.172 nan 8.370 nan 0.000 0.505 469 V N 0.576 120.335 119.914 -0.259 0.000 3.147 469 V HA 0.334 4.454 4.120 -0.001 0.000 0.299 469 V C -1.967 173.778 176.094 -0.581 0.000 1.302 469 V CA -0.891 61.215 62.300 -0.324 0.000 1.015 469 V CB 3.226 34.646 31.823 -0.672 0.000 1.086 469 V HN -0.058 nan 8.190 nan 0.000 0.437 470 L N 4.243 125.279 121.223 -0.310 0.000 2.381 470 L HA 0.846 5.185 4.340 -0.001 0.000 0.268 470 L C -1.447 175.451 176.870 0.047 0.000 0.997 470 L CA -0.423 54.309 54.840 -0.178 0.000 0.818 470 L CB 1.734 43.804 42.059 0.018 0.000 1.310 470 L HN 0.655 nan 8.230 nan 0.000 0.416 471 L N 3.636 124.910 121.223 0.086 0.000 2.356 471 L HA 0.834 5.173 4.340 -0.001 0.000 0.277 471 L C -0.900 175.928 176.870 -0.070 0.000 0.996 471 L CA 0.432 55.365 54.840 0.154 0.000 0.822 471 L CB 2.088 44.318 42.059 0.285 0.000 1.256 471 L HN 0.731 nan 8.230 nan 0.000 0.413 472 T N 5.275 119.759 114.554 -0.117 0.000 2.916 472 T HA 0.541 4.891 4.350 -0.001 0.000 0.305 472 T C -2.858 171.748 174.700 -0.157 0.000 1.119 472 T CA -1.046 60.880 62.100 -0.290 0.000 1.008 472 T CB 2.214 71.034 68.868 -0.079 0.000 1.129 472 T HN 0.328 nan 8.240 nan 0.000 0.480 473 P HA 0.317 nan 4.420 nan 0.000 0.271 473 P C -0.783 176.310 177.300 -0.345 0.000 1.216 473 P CA -0.607 62.330 63.100 -0.273 0.000 0.776 473 P CB 0.394 31.854 31.700 -0.400 0.000 0.881 474 M N 4.268 123.736 119.600 -0.220 0.000 2.264 474 M HA 0.243 4.723 4.480 -0.001 0.000 0.352 474 M C -0.610 175.622 176.300 -0.113 0.000 1.173 474 M CA -1.453 53.759 55.300 -0.147 0.000 1.075 474 M CB 0.118 32.680 32.600 -0.063 0.000 1.621 474 M HN 0.198 nan 8.290 nan 0.000 0.457 475 L N 4.454 125.683 121.223 0.010 0.000 2.593 475 L HA 0.108 4.447 4.340 -0.001 0.000 0.287 475 L C 0.875 177.920 176.870 0.292 0.000 1.243 475 L CA 0.954 55.919 54.840 0.208 0.000 0.890 475 L CB -0.138 42.205 42.059 0.475 0.000 1.134 475 L HN 0.953 nan 8.230 nan 0.000 0.502 476 G N 6.150 115.051 108.800 0.169 0.000 2.311 476 G HA2 0.048 4.007 3.960 -0.001 0.000 0.274 476 G HA3 0.048 4.007 3.960 -0.001 0.000 0.274 476 G C -2.303 172.542 174.900 -0.092 0.000 1.511 476 G CA -0.336 44.772 45.100 0.014 0.000 1.041 476 G HN 0.650 nan 8.290 nan 0.000 0.527 477 P HA 0.280 nan 4.420 nan 0.000 0.271 477 P C -0.134 176.749 177.300 -0.695 0.000 1.244 477 P CA 0.078 62.966 63.100 -0.354 0.000 0.793 477 P CB 0.248 31.792 31.700 -0.261 0.000 0.984 478 A N 1.100 123.401 122.820 -0.866 0.000 2.565 478 A HA 0.123 4.443 4.320 -0.001 0.000 0.237 478 A C 0.316 177.508 177.584 -0.653 0.000 1.053 478 A CA 0.066 51.375 52.037 -1.213 0.000 0.755 478 A CB -0.855 17.780 19.000 -0.610 0.000 0.980 478 A HN 0.437 nan 8.150 nan 0.000 0.506 479 L N 2.024 122.954 121.223 -0.489 0.000 2.453 479 L HA 0.193 4.533 4.340 -0.001 0.000 0.261 479 L C 0.869 177.665 176.870 -0.123 0.000 1.179 479 L CA 0.295 55.039 54.840 -0.159 0.000 0.813 479 L CB 0.189 42.243 42.059 -0.008 0.000 1.110 479 L HN 0.700 nan 8.230 nan 0.000 0.466 480 D N -0.116 120.228 120.400 -0.093 0.000 2.349 480 D HA -0.042 4.598 4.640 -0.001 0.000 0.239 480 D C 1.069 177.332 176.300 -0.061 0.000 1.315 480 D CA -0.243 53.716 54.000 -0.069 0.000 0.937 480 D CB 0.490 41.257 40.800 -0.055 0.000 1.133 480 D HN 0.253 nan 8.370 nan 0.000 0.489 481 L N 0.935 122.130 121.223 -0.045 0.000 2.093 481 L HA -0.048 4.292 4.340 -0.001 0.000 0.208 481 L C 1.039 177.878 176.870 -0.053 0.000 1.085 481 L CA 1.693 56.510 54.840 -0.038 0.000 0.755 481 L CB -0.499 41.546 42.059 -0.023 0.000 0.904 481 L HN 0.294 nan 8.230 nan 0.000 0.435 482 N N -1.485 117.183 118.700 -0.054 0.000 2.480 482 N HA 0.116 4.856 4.740 -0.001 0.000 0.281 482 N C 1.031 176.498 175.510 -0.071 0.000 1.381 482 N CA 0.749 53.764 53.050 -0.059 0.000 0.903 482 N CB 0.554 39.021 38.487 -0.034 0.000 1.274 482 N HN 0.382 nan 8.380 nan 0.000 0.505 483 T N -3.261 111.232 114.554 -0.101 0.000 3.042 483 T HA 0.162 4.512 4.350 -0.001 0.000 0.245 483 T C -0.933 173.668 174.700 -0.164 0.000 1.029 483 T CA 0.165 62.208 62.100 -0.096 0.000 1.120 483 T CB -0.682 68.147 68.868 -0.065 0.000 0.917 483 T HN -0.114 nan 8.240 nan 0.000 0.467 484 P HA -0.158 nan 4.420 nan 0.000 0.219 484 P C 1.912 179.009 177.300 -0.338 0.000 1.161 484 P CA 1.949 64.598 63.100 -0.753 0.000 0.909 484 P CB -0.759 30.122 31.700 -1.365 0.000 0.793 485 G N -0.107 108.573 108.800 -0.200 0.000 2.485 485 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.221 485 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.221 485 G C 1.068 175.988 174.900 0.033 0.000 1.115 485 G CA 0.481 45.558 45.100 -0.038 0.000 0.751 485 G HN 0.382 nan 8.290 nan 0.000 0.567 486 R N -0.045 120.472 120.500 0.027 0.000 2.515 486 R HA 0.539 4.879 4.340 -0.001 0.000 0.294 486 R C 0.792 177.175 176.300 0.139 0.000 1.021 486 R CA 0.462 56.635 56.100 0.122 0.000 1.081 486 R CB 0.364 30.728 30.300 0.107 0.000 1.263 486 R HN 0.190 nan 8.270 nan 0.000 0.557 487 A N 0.484 123.298 122.820 -0.010 0.000 2.616 487 A HA 0.196 4.516 4.320 -0.001 0.000 0.294 487 A C 1.133 178.438 177.584 -0.464 0.000 1.091 487 A CA -0.406 51.578 52.037 -0.088 0.000 0.971 487 A CB 0.248 19.306 19.000 0.097 0.000 1.222 487 A HN 0.089 nan 8.150 nan 0.000 0.521 488 T N 0.119 114.142 114.554 -0.886 0.000 2.714 488 T HA -0.221 4.128 4.350 -0.001 0.000 0.268 488 T C 1.944 175.967 174.700 -1.128 0.000 1.036 488 T CA 2.337 63.862 62.100 -0.959 0.000 1.148 488 T CB -0.206 68.073 68.868 -0.983 0.000 0.856 488 T HN 0.664 nan 8.240 nan 0.000 0.462 489 G N 0.442 108.239 108.800 -1.672 0.000 2.509 489 G HA2 0.077 4.037 3.960 -0.001 0.000 0.218 489 G HA3 0.077 4.037 3.960 -0.001 0.000 0.218 489 G C 1.639 176.378 174.900 -0.269 0.000 1.124 489 G CA 0.702 45.328 45.100 -0.790 0.000 0.776 489 G HN 0.611 nan 8.290 nan 0.000 0.547 490 A N 1.279 123.951 122.820 -0.247 0.000 2.121 490 A HA 0.080 4.400 4.320 -0.001 0.000 0.218 490 A C 2.222 179.761 177.584 -0.075 0.000 1.154 490 A CA 1.003 53.015 52.037 -0.042 0.000 0.679 490 A CB -0.426 18.595 19.000 0.035 0.000 0.795 490 A HN 0.778 nan 8.150 nan 0.000 0.458 491 I N -1.343 119.065 120.570 -0.270 0.000 3.241 491 I HA -0.107 4.063 4.170 -0.001 0.000 0.280 491 I C 1.969 178.055 176.117 -0.051 0.000 1.320 491 I CA 1.273 62.510 61.300 -0.105 0.000 1.413 491 I CB -0.493 37.374 38.000 -0.222 0.000 1.060 491 I HN 0.280 nan 8.210 nan 0.000 0.500 492 S N 1.180 116.819 115.700 -0.101 0.000 2.383 492 S HA -0.258 4.212 4.470 -0.001 0.000 0.229 492 S C 1.899 176.375 174.600 -0.207 0.000 1.030 492 S CA 1.080 59.145 58.200 -0.226 0.000 1.002 492 S CB -0.990 62.041 63.200 -0.283 0.000 0.829 492 S HN 0.644 nan 8.310 nan 0.000 0.467 493 Y N 3.098 123.420 120.300 0.037 0.000 2.128 493 Y HA -0.118 4.431 4.550 -0.001 0.000 0.284 493 Y C 3.333 179.278 175.900 0.075 0.000 1.154 493 Y CA 1.739 59.900 58.100 0.102 0.000 1.149 493 Y CB -1.125 37.418 38.460 0.138 0.000 0.976 493 Y HN 0.609 nan 8.280 nan 0.000 0.505 494 T N -3.826 110.797 114.554 0.115 0.000 2.939 494 T HA -0.074 4.276 4.350 -0.001 0.000 0.254 494 T C 1.970 176.662 174.700 -0.013 0.000 1.041 494 T CA 0.883 62.982 62.100 -0.002 0.000 1.142 494 T CB -0.999 67.667 68.868 -0.338 0.000 0.874 494 T HN 0.140 nan 8.240 nan 0.000 0.452 495 V N 1.316 121.176 119.914 -0.090 0.000 2.759 495 V HA 0.049 4.169 4.120 -0.001 0.000 0.256 495 V C 2.346 178.323 176.094 -0.196 0.000 1.080 495 V CA 1.074 63.292 62.300 -0.136 0.000 1.101 495 V CB -0.612 31.113 31.823 -0.163 0.000 0.698 495 V HN 0.483 nan 8.190 nan 0.000 0.477 496 L N -0.461 120.593 121.223 -0.283 0.000 2.127 496 L HA -0.154 4.186 4.340 -0.001 0.000 0.211 496 L C 1.927 178.487 176.870 -0.518 0.000 1.089 496 L CA 2.209 56.774 54.840 -0.459 0.000 0.757 496 L CB -0.544 41.136 42.059 -0.632 0.000 0.899 496 L HN 0.472 nan 8.230 nan 0.000 0.434 497 Y N -1.221 119.028 120.300 -0.086 0.000 2.482 497 Y HA 0.116 4.665 4.550 -0.001 0.000 0.270 497 Y C 2.268 178.108 175.900 -0.100 0.000 1.152 497 Y CA 0.167 58.207 58.100 -0.101 0.000 1.292 497 Y CB -0.535 37.934 38.460 0.014 0.000 1.070 497 Y HN 0.282 nan 8.280 nan 0.000 0.528 498 N N -1.017 117.677 118.700 -0.010 0.000 2.250 498 N HA -0.164 4.576 4.740 -0.001 0.000 0.181 498 N C 1.903 177.358 175.510 -0.091 0.000 1.017 498 N CA 1.260 54.281 53.050 -0.048 0.000 0.866 498 N CB -0.476 37.971 38.487 -0.067 0.000 0.985 498 N HN 0.345 nan 8.380 nan 0.000 0.429 499 C N 1.189 120.404 119.300 -0.142 0.000 2.446 499 C HA 0.101 4.561 4.460 -0.001 0.000 0.277 499 C C 2.583 177.494 174.990 -0.132 0.000 1.275 499 C CA 0.229 59.157 59.018 -0.152 0.000 1.727 499 C CB -1.136 26.477 27.740 -0.212 0.000 2.010 499 C HN 0.335 nan 8.230 nan 0.000 0.486 500 L N 0.219 121.313 121.223 -0.216 0.000 2.395 500 L HA 0.050 4.390 4.340 -0.001 0.000 0.218 500 L C 0.842 177.566 176.870 -0.244 0.000 1.130 500 L CA 1.270 55.879 54.840 -0.384 0.000 0.826 500 L CB -0.453 41.060 42.059 -0.909 0.000 0.941 500 L HN 0.363 nan 8.230 nan 0.000 0.451 501 D N 0.046 120.393 120.400 -0.088 0.000 2.737 501 D HA -0.257 4.382 4.640 -0.001 0.000 0.238 501 D C -0.524 175.893 176.300 0.194 0.000 1.157 501 D CA 0.647 54.650 54.000 0.006 0.000 0.694 501 D CB -1.177 39.596 40.800 -0.045 0.000 1.021 501 D HN 0.153 nan 8.370 nan 0.000 0.420 502 F N -0.438 119.479 119.950 -0.055 0.000 2.492 502 F HA 0.468 4.994 4.527 -0.000 0.000 0.327 502 F C -1.593 174.148 175.800 -0.099 0.000 1.079 502 F CA -2.720 55.220 58.000 -0.100 0.000 0.967 502 F CB 1.981 40.983 39.000 0.004 0.000 1.169 502 F HN -0.185 nan 8.300 nan 0.000 0.472 503 P HA 0.126 nan 4.420 nan 0.000 0.267 503 P C -1.259 176.048 177.300 0.011 0.000 1.209 503 P CA 0.130 63.228 63.100 -0.002 0.000 0.763 503 P CB 0.760 32.437 31.700 -0.039 0.000 0.816 504 A N 3.271 126.095 122.820 0.006 0.000 2.414 504 A HA 0.842 5.161 4.320 -0.001 0.000 0.306 504 A C -0.269 177.309 177.584 -0.010 0.000 1.054 504 A CA -0.506 51.513 52.037 -0.030 0.000 0.724 504 A CB 1.804 20.769 19.000 -0.058 0.000 1.267 504 A HN 0.536 nan 8.150 nan 0.000 0.418 505 G N -0.628 108.167 108.800 -0.008 0.000 2.642 505 G HA2 0.613 4.573 3.960 -0.001 0.000 0.293 505 G HA3 0.613 4.573 3.960 -0.001 0.000 0.293 505 G C -1.811 173.071 174.900 -0.029 0.000 1.341 505 G CA -0.575 44.521 45.100 -0.007 0.000 0.916 505 G HN 1.066 nan 8.290 nan 0.000 0.474 506 V N 0.465 120.358 119.914 -0.034 0.000 2.577 506 V HA 0.657 4.777 4.120 -0.001 0.000 0.303 506 V C -0.697 175.374 176.094 -0.039 0.000 1.042 506 V CA -0.755 61.518 62.300 -0.046 0.000 0.872 506 V CB 1.624 33.416 31.823 -0.053 0.000 0.998 506 V HN 0.919 nan 8.190 nan 0.000 0.423 507 V N 7.615 127.495 119.914 -0.057 0.000 2.577 507 V HA 0.755 4.874 4.120 -0.001 0.000 0.303 507 V C -2.551 173.512 176.094 -0.052 0.000 1.042 507 V CA -2.246 60.023 62.300 -0.052 0.000 0.872 507 V CB 2.737 34.513 31.823 -0.079 0.000 0.998 507 V HN 0.745 nan 8.190 nan 0.000 0.423 508 P HA 0.192 nan 4.420 nan 0.000 0.271 508 P C 0.414 177.690 177.300 -0.040 0.000 1.216 508 P CA 0.293 63.372 63.100 -0.036 0.000 0.771 508 P CB 1.605 33.294 31.700 -0.018 0.000 0.864 509 V N -0.050 119.833 119.914 -0.051 0.000 3.473 509 V HA 0.323 4.442 4.120 -0.001 0.000 0.253 509 V C 0.599 176.670 176.094 -0.037 0.000 1.340 509 V CA 0.916 63.187 62.300 -0.049 0.000 1.103 509 V CB 0.314 32.099 31.823 -0.064 0.000 0.881 509 V HN 0.674 nan 8.190 nan 0.000 0.451 510 T N 0.675 115.202 114.554 -0.045 0.000 2.769 510 T HA 0.548 4.897 4.350 -0.001 0.000 0.306 510 T C -0.660 174.003 174.700 -0.061 0.000 1.400 510 T CA 0.484 62.560 62.100 -0.039 0.000 1.007 510 T CB 1.721 70.568 68.868 -0.035 0.000 1.392 510 T HN 0.876 nan 8.240 nan 0.000 0.500 511 T N -0.117 114.411 114.554 -0.045 0.000 2.925 511 T HA 0.671 5.021 4.350 -0.001 0.000 0.285 511 T C -0.131 174.536 174.700 -0.057 0.000 1.021 511 T CA -0.664 61.397 62.100 -0.065 0.000 1.042 511 T CB 1.097 69.959 68.868 -0.011 0.000 1.037 511 T HN 0.527 nan 8.240 nan 0.000 0.481 512 V N 4.314 124.181 119.914 -0.078 0.000 2.450 512 V HA 0.244 4.363 4.120 -0.001 0.000 0.281 512 V C 1.508 177.583 176.094 -0.032 0.000 1.019 512 V CA -0.016 62.247 62.300 -0.061 0.000 1.062 512 V CB -0.232 31.541 31.823 -0.084 0.000 0.979 512 V HN 1.203 nan 8.190 nan 0.000 0.477 513 T N 2.971 117.512 114.554 -0.021 0.000 2.816 513 T HA 0.482 4.831 4.350 -0.001 0.000 0.282 513 T C 1.444 176.139 174.700 -0.008 0.000 0.993 513 T CA -0.058 62.037 62.100 -0.008 0.000 0.994 513 T CB 1.488 70.353 68.868 -0.004 0.000 1.025 513 T HN 0.704 nan 8.240 nan 0.000 0.529 514 A N 0.888 123.707 122.820 -0.002 0.000 1.917 514 A HA -0.004 4.315 4.320 -0.001 0.000 0.219 514 A C 2.651 180.234 177.584 -0.002 0.000 1.182 514 A CA 2.432 54.468 52.037 -0.001 0.000 0.633 514 A CB -1.900 17.102 19.000 0.003 0.000 0.819 514 A HN 1.206 nan 8.150 nan 0.000 0.448 515 E N 0.124 120.325 120.200 0.001 0.000 2.110 515 E HA -0.259 4.090 4.350 -0.001 0.000 0.193 515 E C 1.633 178.235 176.600 0.003 0.000 0.988 515 E CA 1.598 58.000 56.400 0.004 0.000 0.804 515 E CB -0.915 28.789 29.700 0.007 0.000 0.745 515 E HN 0.690 nan 8.360 nan 0.000 0.458 516 D N 0.231 120.629 120.400 -0.003 0.000 2.144 516 D HA -0.110 4.530 4.640 -0.001 0.000 0.199 516 D C 1.559 177.851 176.300 -0.014 0.000 0.984 516 D CA 1.685 55.681 54.000 -0.007 0.000 0.834 516 D CB -0.392 40.396 40.800 -0.020 0.000 0.955 516 D HN 0.522 nan 8.370 nan 0.000 0.465 517 D N -0.645 119.743 120.400 -0.020 0.000 2.305 517 D HA 0.100 4.740 4.640 -0.001 0.000 0.206 517 D C 1.864 178.157 176.300 -0.012 0.000 0.974 517 D CA 0.674 54.658 54.000 -0.026 0.000 0.871 517 D CB 0.204 40.985 40.800 -0.032 0.000 0.947 517 D HN 0.070 nan 8.370 nan 0.000 0.516 518 A N -0.121 122.698 122.820 -0.003 0.000 1.968 518 A HA -0.024 4.296 4.320 -0.001 0.000 0.217 518 A C 2.197 179.790 177.584 0.014 0.000 1.169 518 A CA 1.780 53.820 52.037 0.005 0.000 0.638 518 A CB -0.955 18.049 19.000 0.006 0.000 0.812 518 A HN 0.305 nan 8.150 nan 0.000 0.446 519 Q N -1.529 118.282 119.800 0.018 0.000 2.451 519 Q HA 0.253 4.592 4.340 -0.001 0.000 0.206 519 Q C 1.765 177.797 176.000 0.053 0.000 0.947 519 Q CA 1.378 57.202 55.803 0.034 0.000 0.937 519 Q CB -0.778 27.981 28.738 0.036 0.000 1.025 519 Q HN 0.577 nan 8.270 nan 0.000 0.511 520 M N 1.157 120.777 119.600 0.033 0.000 2.296 520 M HA -0.001 4.478 4.480 -0.001 0.000 0.265 520 M C 2.086 178.423 176.300 0.062 0.000 1.064 520 M CA 1.712 57.030 55.300 0.030 0.000 1.109 520 M CB -0.427 32.152 32.600 -0.035 0.000 1.396 520 M HN 0.613 nan 8.290 nan 0.000 0.430 521 E N -0.681 119.547 120.200 0.046 0.000 2.478 521 E HA 0.196 4.545 4.350 -0.001 0.000 0.198 521 E C 1.710 178.349 176.600 0.065 0.000 1.046 521 E CA 1.240 57.670 56.400 0.051 0.000 0.870 521 E CB -1.385 28.333 29.700 0.030 0.000 0.818 521 E HN 0.641 nan 8.360 nan 0.000 0.527 522 L N -1.222 120.047 121.223 0.076 0.000 2.667 522 L HA 0.580 4.919 4.340 -0.001 0.000 0.232 522 L C 1.099 178.022 176.870 0.088 0.000 1.138 522 L CA -0.185 54.694 54.840 0.065 0.000 0.921 522 L CB -1.341 40.744 42.059 0.043 0.000 1.180 522 L HN 0.526 nan 8.230 nan 0.000 0.487 523 Y N 2.084 122.378 120.300 -0.009 0.000 2.442 523 Y HA 0.443 4.993 4.550 -0.001 0.000 0.330 523 Y C 0.430 176.317 175.900 -0.022 0.000 1.129 523 Y CA 0.647 58.735 58.100 -0.019 0.000 1.365 523 Y CB 0.222 38.674 38.460 -0.012 0.000 1.233 523 Y HN 0.401 nan 8.280 nan 0.000 0.529 524 K N 3.977 124.136 120.400 -0.402 0.000 2.535 524 K HA 0.658 4.978 4.320 -0.001 0.000 0.251 524 K C -0.253 175.981 176.600 -0.610 0.000 0.942 524 K CA -0.373 55.717 56.287 -0.329 0.000 0.798 524 K CB 0.845 33.255 32.500 -0.149 0.000 1.267 524 K HN 1.070 nan 8.250 nan 0.000 0.434 525 G N -0.299 108.229 108.800 -0.453 0.000 2.621 525 G HA2 0.448 4.408 3.960 -0.001 0.000 0.271 525 G HA3 0.448 4.408 3.960 -0.001 0.000 0.271 525 G C 0.228 174.920 174.900 -0.347 0.000 1.236 525 G CA -0.145 44.675 45.100 -0.468 0.000 0.958 525 G HN 0.677 nan 8.290 nan 0.000 0.512 526 Y N -1.118 119.115 120.300 -0.112 0.000 2.571 526 Y HA 0.122 4.672 4.550 -0.001 0.000 0.294 526 Y C 1.716 177.267 175.900 -0.582 0.000 1.141 526 Y CA 0.692 58.569 58.100 -0.371 0.000 1.308 526 Y CB -0.158 37.986 38.460 -0.527 0.000 1.002 526 Y HN 0.401 nan 8.280 nan 0.000 0.551 527 F N -2.513 117.466 119.950 0.049 0.000 2.747 527 F HA 0.376 4.902 4.527 -0.001 0.000 0.305 527 F C 1.998 177.829 175.800 0.052 0.000 1.065 527 F CA 0.360 58.384 58.000 0.039 0.000 1.230 527 F CB 0.182 39.189 39.000 0.012 0.000 1.027 527 F HN -0.093 nan 8.300 nan 0.000 0.607 528 G N 1.471 110.383 108.800 0.186 0.000 2.166 528 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.260 528 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.260 528 G C -0.062 174.934 174.900 0.161 0.000 0.986 528 G CA 0.722 45.904 45.100 0.136 0.000 0.683 528 G HN 0.487 nan 8.290 nan 0.000 0.527 529 D N -0.655 119.839 120.400 0.157 0.000 2.478 529 D HA 0.451 5.090 4.640 -0.001 0.000 0.274 529 D C 1.972 178.215 176.300 -0.096 0.000 1.234 529 D CA -0.375 53.609 54.000 -0.026 0.000 1.069 529 D CB 0.106 40.827 40.800 -0.133 0.000 1.113 529 D HN 0.363 nan 8.370 nan 0.000 0.571 530 I N -1.078 119.319 120.570 -0.289 0.000 2.546 530 I HA -0.118 4.051 4.170 -0.001 0.000 0.255 530 I C 0.835 176.964 176.117 0.021 0.000 1.163 530 I CA 0.879 62.068 61.300 -0.185 0.000 1.457 530 I CB -0.611 37.211 38.000 -0.297 0.000 1.092 530 I HN 0.402 nan 8.210 nan 0.000 0.434 531 W N 2.112 123.368 121.300 -0.073 0.000 2.355 531 W HA -0.146 4.514 4.660 -0.000 0.000 0.309 531 W C 2.387 178.928 176.519 0.036 0.000 1.206 531 W CA 1.007 58.332 57.345 -0.033 0.000 1.284 531 W CB -1.431 27.986 29.460 -0.072 0.000 1.145 531 W HN 0.267 nan 8.180 nan 0.000 0.502 532 D N -0.065 120.509 120.400 0.289 0.000 2.117 532 D HA -0.153 4.487 4.640 -0.001 0.000 0.197 532 D C 2.170 178.602 176.300 0.220 0.000 0.987 532 D CA 1.236 55.397 54.000 0.268 0.000 0.829 532 D CB -0.349 40.582 40.800 0.219 0.000 0.961 532 D HN -0.009 nan 8.370 nan 0.000 0.460 533 I N 0.756 121.412 120.570 0.142 0.000 2.179 533 I HA -0.203 3.967 4.170 -0.001 0.000 0.242 533 I C 2.512 178.683 176.117 0.090 0.000 1.088 533 I CA 0.691 62.051 61.300 0.100 0.000 1.357 533 I CB -0.974 37.054 38.000 0.047 0.000 1.051 533 I HN -0.025 nan 8.210 nan 0.000 0.409 534 I N 0.295 120.921 120.570 0.093 0.000 2.163 534 I HA -0.293 3.876 4.170 -0.001 0.000 0.243 534 I C 2.451 178.602 176.117 0.056 0.000 1.085 534 I CA 1.221 62.565 61.300 0.073 0.000 1.347 534 I CB -0.466 37.587 38.000 0.088 0.000 1.044 534 I HN 0.119 nan 8.210 nan 0.000 0.408 535 L N 0.475 121.750 121.223 0.087 0.000 2.265 535 L HA -0.207 4.132 4.340 -0.001 0.000 0.215 535 L C 2.319 179.128 176.870 -0.101 0.000 1.117 535 L CA 1.608 56.465 54.840 0.028 0.000 0.782 535 L CB -0.535 41.581 42.059 0.095 0.000 0.914 535 L HN 0.149 nan 8.230 nan 0.000 0.441 536 K N 0.222 120.610 120.400 -0.021 0.000 1.985 536 K HA -0.184 4.135 4.320 -0.001 0.000 0.210 536 K C 2.299 178.861 176.600 -0.063 0.000 1.047 536 K CA 2.398 58.655 56.287 -0.050 0.000 0.932 536 K CB -0.341 32.234 32.500 0.125 0.000 0.716 536 K HN 0.174 nan 8.250 nan 0.000 0.439 537 K N 0.335 120.724 120.400 -0.019 0.000 2.097 537 K HA 0.072 4.392 4.320 -0.001 0.000 0.205 537 K C 2.234 178.807 176.600 -0.046 0.000 1.050 537 K CA 1.604 57.877 56.287 -0.024 0.000 0.938 537 K CB -1.256 31.241 32.500 -0.005 0.000 0.718 537 K HN 0.463 nan 8.250 nan 0.000 0.442 538 A N 0.088 122.878 122.820 -0.051 0.000 2.015 538 A HA 0.092 4.412 4.320 -0.001 0.000 0.219 538 A C 2.321 179.846 177.584 -0.099 0.000 1.163 538 A CA 1.619 53.619 52.037 -0.063 0.000 0.646 538 A CB -0.188 18.786 19.000 -0.044 0.000 0.806 538 A HN 0.512 nan 8.150 nan 0.000 0.448 539 M N -0.774 118.750 119.600 -0.126 0.000 2.461 539 M HA 0.083 4.562 4.480 -0.001 0.000 0.255 539 M C 1.321 177.535 176.300 -0.143 0.000 1.137 539 M CA 0.558 55.760 55.300 -0.164 0.000 1.086 539 M CB -0.132 32.337 32.600 -0.217 0.000 1.356 539 M HN 0.382 nan 8.290 nan 0.000 0.487 540 K N 1.391 121.725 120.400 -0.111 0.000 2.187 540 K HA 0.036 4.356 4.320 -0.001 0.000 0.247 540 K C 0.667 177.226 176.600 -0.070 0.000 1.019 540 K CA -0.011 56.229 56.287 -0.078 0.000 0.893 540 K CB -0.291 32.177 32.500 -0.053 0.000 1.025 540 K HN 0.486 nan 8.250 nan 0.000 0.500 541 N N -0.523 118.146 118.700 -0.051 0.000 2.738 541 N HA -0.150 4.590 4.740 -0.001 0.000 0.249 541 N C -0.390 175.089 175.510 -0.051 0.000 1.047 541 N CA 1.035 54.060 53.050 -0.041 0.000 0.707 541 N CB -1.186 37.280 38.487 -0.034 0.000 0.937 541 N HN 0.560 nan 8.380 nan 0.000 0.545 542 S N -0.622 115.041 115.700 -0.061 0.000 2.749 542 S HA 0.188 4.658 4.470 -0.001 0.000 0.246 542 S C 0.231 174.792 174.600 -0.064 0.000 1.023 542 S CA -0.305 57.845 58.200 -0.083 0.000 1.012 542 S CB 0.999 64.125 63.200 -0.123 0.000 0.942 542 S HN 0.229 nan 8.310 nan 0.000 0.531 543 V N 1.918 121.813 119.914 -0.032 0.000 2.529 543 V HA 0.414 4.533 4.120 -0.001 0.000 0.292 543 V C 1.445 177.547 176.094 0.012 0.000 1.028 543 V CA 0.913 63.205 62.300 -0.014 0.000 1.074 543 V CB 0.169 31.990 31.823 -0.003 0.000 0.958 543 V HN 0.605 nan 8.190 nan 0.000 0.481 544 G N 4.034 112.840 108.800 0.010 0.000 2.157 544 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.248 544 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.248 544 G C -0.018 174.895 174.900 0.022 0.000 0.979 544 G CA -0.146 44.992 45.100 0.064 0.000 0.650 544 G HN 0.537 nan 8.290 nan 0.000 0.529 545 L N 1.952 123.103 121.223 -0.119 0.000 2.350 545 L HA 0.371 4.711 4.340 -0.001 0.000 0.275 545 L C -1.534 175.081 176.870 -0.426 0.000 1.099 545 L CA -1.950 52.677 54.840 -0.354 0.000 0.808 545 L CB 0.933 42.816 42.059 -0.294 0.000 1.149 545 L HN -0.052 nan 8.230 nan 0.000 0.442 546 P HA 0.043 nan 4.420 nan 0.000 0.266 546 P C -0.684 176.463 177.300 -0.255 0.000 1.215 546 P CA -0.052 62.787 63.100 -0.435 0.000 0.763 546 P CB 0.654 32.040 31.700 -0.523 0.000 0.806 547 V N 2.654 122.469 119.914 -0.165 0.000 2.539 547 V HA 0.733 4.853 4.120 -0.001 0.000 0.292 547 V C 0.639 176.685 176.094 -0.079 0.000 1.045 547 V CA -0.738 61.498 62.300 -0.106 0.000 0.945 547 V CB 1.059 32.831 31.823 -0.085 0.000 0.993 547 V HN 0.738 nan 8.190 nan 0.000 0.464 548 A N 3.283 126.071 122.820 -0.053 0.000 2.437 548 A HA 0.957 5.277 4.320 -0.001 0.000 0.292 548 A C -0.944 176.604 177.584 -0.060 0.000 1.173 548 A CA -0.787 51.221 52.037 -0.049 0.000 0.785 548 A CB 2.121 21.107 19.000 -0.023 0.000 1.351 548 A HN 0.793 nan 8.150 nan 0.000 0.431 549 V N -0.165 119.707 119.914 -0.071 0.000 2.962 549 V HA 0.486 4.606 4.120 -0.001 0.000 0.313 549 V C -0.485 175.561 176.094 -0.080 0.000 1.099 549 V CA -0.492 61.758 62.300 -0.083 0.000 0.971 549 V CB 1.941 33.708 31.823 -0.094 0.000 1.028 549 V HN 1.023 nan 8.190 nan 0.000 0.430 550 Q N 2.317 122.076 119.800 -0.068 0.000 2.222 550 Q HA 0.571 4.911 4.340 -0.001 0.000 0.252 550 Q C -1.574 174.424 176.000 -0.003 0.000 0.926 550 Q CA -0.446 55.331 55.803 -0.043 0.000 0.899 550 Q CB 1.589 30.316 28.738 -0.020 0.000 1.250 550 Q HN 0.811 nan 8.270 nan 0.000 0.441 551 C N 3.410 122.724 119.300 0.024 0.000 2.381 551 C HA 0.587 5.047 4.460 -0.001 0.000 0.328 551 C C -0.618 174.455 174.990 0.138 0.000 1.190 551 C CA -0.847 58.280 59.018 0.182 0.000 1.369 551 C CB 0.511 28.316 27.740 0.109 0.000 2.029 551 C HN 0.599 nan 8.230 nan 0.000 0.448 552 V N 2.582 122.573 119.914 0.127 0.000 2.769 552 V HA 0.974 5.093 4.120 -0.001 0.000 0.312 552 V C 0.388 176.574 176.094 0.154 0.000 1.058 552 V CA -0.160 62.159 62.300 0.033 0.000 0.952 552 V CB 1.743 33.463 31.823 -0.172 0.000 1.019 552 V HN 1.066 nan 8.190 nan 0.000 0.445 553 A N 2.463 125.309 122.820 0.043 0.000 2.504 553 A HA 0.858 5.177 4.320 -0.001 0.000 0.285 553 A C -0.791 176.387 177.584 -0.677 0.000 1.261 553 A CA -0.800 51.185 52.037 -0.086 0.000 0.741 553 A CB 1.007 19.969 19.000 -0.063 0.000 1.327 553 A HN 0.704 nan 8.150 nan 0.000 0.441 554 L N 0.702 121.373 121.223 -0.921 0.000 2.476 554 L HA 0.278 4.618 4.340 -0.001 0.000 0.255 554 L C -2.005 174.388 176.870 -0.794 0.000 1.218 554 L CA -1.637 52.420 54.840 -1.305 0.000 0.819 554 L CB 0.531 41.984 42.059 -1.009 0.000 1.119 554 L HN 0.399 nan 8.230 nan 0.000 0.485 555 P HA -0.083 nan 4.420 nan 0.000 0.266 555 P C -0.922 176.193 177.300 -0.308 0.000 1.195 555 P CA 0.287 63.077 63.100 -0.516 0.000 0.768 555 P CB 0.126 31.547 31.700 -0.466 0.000 0.838 556 W N 0.147 121.385 121.300 -0.103 0.000 3.904 556 W HA -0.197 4.463 4.660 -0.001 0.000 0.312 556 W C 0.403 176.863 176.519 -0.099 0.000 1.159 556 W CA 0.117 57.413 57.345 -0.081 0.000 0.704 556 W CB -2.574 26.840 29.460 -0.076 0.000 2.209 556 W HN 0.370 nan 8.180 nan 0.000 1.468 557 Q N 0.360 120.158 119.800 -0.003 0.000 2.341 557 Q HA 0.136 4.476 4.340 -0.001 0.000 0.325 557 Q C 1.254 177.239 176.000 -0.024 0.000 0.920 557 Q CA 0.208 55.990 55.803 -0.036 0.000 1.065 557 Q CB 0.453 29.127 28.738 -0.107 0.000 1.218 557 Q HN 0.369 nan 8.270 nan 0.000 0.434 558 E N 1.202 121.406 120.200 0.007 0.000 2.077 558 E HA -0.212 4.137 4.350 -0.001 0.000 0.193 558 E C 1.755 178.373 176.600 0.030 0.000 0.989 558 E CA 1.471 57.890 56.400 0.032 0.000 0.800 558 E CB 0.309 30.055 29.700 0.077 0.000 0.746 558 E HN 0.426 nan 8.360 nan 0.000 0.452 559 E N 0.597 120.761 120.200 -0.059 0.000 2.107 559 E HA -0.165 4.185 4.350 -0.001 0.000 0.191 559 E C 2.146 178.784 176.600 0.063 0.000 0.982 559 E CA 0.608 56.938 56.400 -0.118 0.000 0.809 559 E CB -0.573 28.803 29.700 -0.539 0.000 0.756 559 E HN 0.242 nan 8.360 nan 0.000 0.459 560 L N 1.530 122.774 121.223 0.034 0.000 2.042 560 L HA -0.132 4.207 4.340 -0.001 0.000 0.210 560 L C 2.639 179.590 176.870 0.135 0.000 1.076 560 L CA 1.654 56.538 54.840 0.073 0.000 0.749 560 L CB -0.823 41.252 42.059 0.026 0.000 0.893 560 L HN 0.368 nan 8.230 nan 0.000 0.432 561 C N -0.743 118.627 119.300 0.117 0.000 2.442 561 C HA -0.184 4.275 4.460 -0.001 0.000 0.279 561 C C 2.778 177.897 174.990 0.215 0.000 1.237 561 C CA 1.164 60.281 59.018 0.165 0.000 1.722 561 C CB -1.100 26.698 27.740 0.097 0.000 2.056 561 C HN 0.597 nan 8.230 nan 0.000 0.469 562 L N 0.952 122.294 121.223 0.198 0.000 2.013 562 L HA -0.189 4.150 4.340 -0.001 0.000 0.212 562 L C 3.061 180.165 176.870 0.391 0.000 1.073 562 L CA 2.046 57.037 54.840 0.252 0.000 0.753 562 L CB -0.908 41.266 42.059 0.192 0.000 0.890 562 L HN 0.424 nan 8.230 nan 0.000 0.432 563 R N 0.435 121.199 120.500 0.440 0.000 2.096 563 R HA -0.270 4.070 4.340 -0.001 0.000 0.240 563 R C 2.333 178.760 176.300 0.212 0.000 1.139 563 R CA 2.271 58.528 56.100 0.262 0.000 0.952 563 R CB -0.892 29.510 30.300 0.170 0.000 0.854 563 R HN 0.396 nan 8.270 nan 0.000 0.436 564 F N 0.653 120.635 119.950 0.054 0.000 2.234 564 F HA -0.126 4.401 4.527 -0.001 0.000 0.299 564 F C 2.319 178.116 175.800 -0.006 0.000 1.087 564 F CA 1.194 59.189 58.000 -0.009 0.000 1.340 564 F CB 0.002 38.990 39.000 -0.019 0.000 1.031 564 F HN -0.010 nan 8.300 nan 0.000 0.500 565 M N -0.300 119.265 119.600 -0.059 0.000 2.175 565 M HA -0.179 4.300 4.480 -0.001 0.000 0.264 565 M C 2.351 178.593 176.300 -0.097 0.000 1.063 565 M CA 1.410 56.619 55.300 -0.152 0.000 1.119 565 M CB -0.494 32.100 32.600 -0.010 0.000 1.377 565 M HN 0.071 nan 8.290 nan 0.000 0.415 566 R N 0.520 121.033 120.500 0.020 0.000 2.073 566 R HA -0.195 4.144 4.340 -0.001 0.000 0.234 566 R C 1.994 178.281 176.300 -0.023 0.000 1.134 566 R CA 1.949 58.070 56.100 0.035 0.000 0.952 566 R CB -0.160 30.191 30.300 0.085 0.000 0.850 566 R HN 0.355 nan 8.270 nan 0.000 0.433 567 E N -0.268 119.909 120.200 -0.039 0.000 2.150 567 E HA -0.113 4.236 4.350 -0.001 0.000 0.193 567 E C 1.851 178.382 176.600 -0.116 0.000 0.985 567 E CA 0.955 57.331 56.400 -0.040 0.000 0.814 567 E CB 0.102 29.814 29.700 0.021 0.000 0.752 567 E HN 0.110 nan 8.360 nan 0.000 0.466 568 V N 1.149 120.911 119.914 -0.254 0.000 2.295 568 V HA -0.272 3.848 4.120 -0.001 0.000 0.246 568 V C 2.428 178.433 176.094 -0.149 0.000 1.049 568 V CA 2.314 64.446 62.300 -0.280 0.000 1.024 568 V CB -0.581 30.956 31.823 -0.478 0.000 0.648 568 V HN 0.437 nan 8.190 nan 0.000 0.447 569 E N -0.344 119.789 120.200 -0.112 0.000 2.077 569 E HA -0.321 4.029 4.350 -0.001 0.000 0.193 569 E C 2.243 178.825 176.600 -0.030 0.000 0.989 569 E CA 1.771 58.138 56.400 -0.054 0.000 0.800 569 E CB -0.067 29.619 29.700 -0.024 0.000 0.746 569 E HN 0.645 nan 8.360 nan 0.000 0.452 570 Q N 0.238 120.024 119.800 -0.025 0.000 2.046 570 Q HA -0.103 4.237 4.340 -0.001 0.000 0.200 570 Q C 2.257 178.253 176.000 -0.006 0.000 0.975 570 Q CA 1.449 57.248 55.803 -0.006 0.000 0.836 570 Q CB -0.004 28.735 28.738 0.002 0.000 0.896 570 Q HN 0.349 nan 8.270 nan 0.000 0.428 571 L N -0.749 120.465 121.223 -0.015 0.000 2.093 571 L HA -0.148 4.192 4.340 -0.001 0.000 0.208 571 L C 2.161 179.021 176.870 -0.016 0.000 1.085 571 L CA 0.610 55.444 54.840 -0.010 0.000 0.755 571 L CB -0.257 41.796 42.059 -0.009 0.000 0.904 571 L HN 0.359 nan 8.230 nan 0.000 0.435 572 M N -1.237 118.345 119.600 -0.029 0.000 2.248 572 M HA 0.051 4.530 4.480 -0.001 0.000 0.265 572 M C 1.275 177.568 176.300 -0.012 0.000 1.079 572 M CA 0.899 56.183 55.300 -0.027 0.000 1.150 572 M CB -1.169 31.403 32.600 -0.046 0.000 1.366 572 M HN 0.106 nan 8.290 nan 0.000 0.433 573 T N 0.000 114.550 114.554 -0.007 0.000 3.816 573 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 573 T CA 0.000 62.105 62.100 0.009 0.000 1.349 573 T CB 0.000 68.877 68.868 0.015 0.000 0.612 573 T HN 0.000 nan 8.240 nan 0.000 0.658