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_G 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 0.000 177.572 177.584 -0.020 0.000 1.274 37 A CA 0.000 52.022 52.037 -0.025 0.000 0.836 37 A CB 0.000 18.977 19.000 -0.039 0.000 0.831 38 R N 0.812 121.293 120.500 -0.033 0.000 2.297 38 R HA 0.428 4.768 4.340 0.001 0.000 0.197 38 R C 2.056 178.444 176.300 0.146 0.000 0.943 38 R CA 1.568 57.679 56.100 0.018 0.000 1.038 38 R CB -1.430 28.825 30.300 -0.075 0.000 0.957 38 R HN 1.192 nan 8.270 nan 0.000 0.484 39 G N 0.288 109.162 108.800 0.125 0.000 2.479 39 G HA2 0.065 4.026 3.960 0.001 0.000 0.220 39 G HA3 0.065 4.026 3.960 0.001 0.000 0.220 39 G C 1.440 176.374 174.900 0.058 0.000 1.115 39 G CA 0.625 45.800 45.100 0.125 0.000 0.757 39 G HN 0.815 nan 8.290 nan 0.000 0.560 40 A N 0.625 123.464 122.820 0.031 0.000 2.478 40 A HA 0.598 4.919 4.320 0.001 0.000 0.239 40 A C 2.051 179.620 177.584 -0.025 0.000 1.480 40 A CA 0.981 53.020 52.037 0.002 0.000 1.308 40 A CB -0.558 18.441 19.000 -0.003 0.000 0.899 40 A HN 0.535 nan 8.150 nan 0.000 0.600 41 A N -0.178 122.630 122.820 -0.021 0.000 2.021 41 A HA 0.018 4.339 4.320 0.001 0.000 0.216 41 A C 2.324 179.843 177.584 -0.108 0.000 1.163 41 A CA 1.706 53.687 52.037 -0.094 0.000 0.676 41 A CB -0.801 18.158 19.000 -0.069 0.000 0.818 41 A HN 0.775 nan 8.150 nan 0.000 0.453 42 T N -1.807 112.714 114.554 -0.054 0.000 2.833 42 T HA -0.190 4.160 4.350 0.001 0.000 0.269 42 T C 1.939 176.619 174.700 -0.034 0.000 1.054 42 T CA 1.423 63.499 62.100 -0.039 0.000 1.135 42 T CB -0.333 68.526 68.868 -0.015 0.000 0.869 42 T HN 0.446 nan 8.240 nan 0.000 0.466 43 R N 1.301 121.781 120.500 -0.033 0.000 2.096 43 R HA 0.104 4.444 4.340 0.001 0.000 0.235 43 R C 2.591 178.873 176.300 -0.031 0.000 1.127 43 R CA 1.361 57.448 56.100 -0.021 0.000 0.968 43 R CB -0.682 29.610 30.300 -0.014 0.000 0.861 43 R HN 0.530 nan 8.270 nan 0.000 0.440 44 A N -0.226 122.527 122.820 -0.111 0.000 2.016 44 A HA -0.014 4.306 4.320 0.001 0.000 0.217 44 A C 2.050 179.571 177.584 -0.105 0.000 1.162 44 A CA 0.787 52.706 52.037 -0.197 0.000 0.662 44 A CB -0.189 18.436 19.000 -0.624 0.000 0.812 44 A HN 0.252 nan 8.150 nan 0.000 0.450 45 R N -0.288 120.158 120.500 -0.089 0.000 2.090 45 R HA -0.138 4.202 4.340 0.001 0.000 0.228 45 R C 2.398 178.729 176.300 0.053 0.000 1.110 45 R CA 1.688 57.783 56.100 -0.008 0.000 0.973 45 R CB -0.124 30.158 30.300 -0.030 0.000 0.869 45 R HN 0.787 nan 8.270 nan 0.000 0.440 46 Q N -0.022 119.803 119.800 0.041 0.000 2.187 46 Q HA -0.026 4.314 4.340 0.001 0.000 0.199 46 Q C 1.497 177.550 176.000 0.087 0.000 0.957 46 Q CA 1.097 56.935 55.803 0.058 0.000 0.857 46 Q CB -0.055 28.707 28.738 0.041 0.000 0.929 46 Q HN 0.040 nan 8.270 nan 0.000 0.453 47 K N 0.566 121.028 120.400 0.103 0.000 2.057 47 K HA -0.201 4.120 4.320 0.001 0.000 0.207 47 K C 2.230 178.942 176.600 0.187 0.000 1.049 47 K CA 1.678 58.050 56.287 0.142 0.000 0.931 47 K CB -0.053 32.544 32.500 0.162 0.000 0.714 47 K HN 0.463 nan 8.250 nan 0.000 0.440 48 Q N 0.522 120.459 119.800 0.229 0.000 2.046 48 Q HA -0.210 4.130 4.340 0.001 0.000 0.200 48 Q C 2.334 178.433 176.000 0.165 0.000 0.975 48 Q CA 1.896 57.840 55.803 0.235 0.000 0.836 48 Q CB -0.032 28.904 28.738 0.329 0.000 0.896 48 Q HN 0.229 nan 8.270 nan 0.000 0.428 49 R N 0.402 120.983 120.500 0.136 0.000 2.091 49 R HA -0.060 4.280 4.340 0.001 0.000 0.238 49 R C 2.210 178.582 176.300 0.119 0.000 1.136 49 R CA 1.773 57.941 56.100 0.113 0.000 0.959 49 R CB -1.665 28.686 30.300 0.086 0.000 0.856 49 R HN 0.557 nan 8.270 nan 0.000 0.437 50 A N -0.137 122.752 122.820 0.115 0.000 1.877 50 A HA -0.073 4.247 4.320 0.001 0.000 0.216 50 A C 2.597 180.256 177.584 0.125 0.000 1.186 50 A CA 1.916 54.018 52.037 0.108 0.000 0.620 50 A CB -0.531 18.529 19.000 0.100 0.000 0.822 50 A HN 0.499 nan 8.150 nan 0.000 0.443 51 S N -0.949 114.844 115.700 0.155 0.000 2.436 51 S HA 0.009 4.479 4.470 0.001 0.000 0.228 51 S C 1.700 176.391 174.600 0.151 0.000 1.014 51 S CA 0.831 59.144 58.200 0.188 0.000 0.950 51 S CB -0.268 63.079 63.200 0.246 0.000 0.784 51 S HN 0.382 nan 8.310 nan 0.000 0.504 52 L N 1.956 123.277 121.223 0.163 0.000 2.201 52 L HA -0.017 4.323 4.340 0.001 0.000 0.212 52 L C 2.694 179.717 176.870 0.255 0.000 1.105 52 L CA 1.943 56.916 54.840 0.223 0.000 0.775 52 L CB -0.742 41.439 42.059 0.203 0.000 0.913 52 L HN 0.429 nan 8.230 nan 0.000 0.440 53 E N -1.452 118.843 120.200 0.159 0.000 2.112 53 E HA -0.140 4.211 4.350 0.001 0.000 0.190 53 E C 2.079 178.676 176.600 -0.005 0.000 0.979 53 E CA 1.406 57.860 56.400 0.090 0.000 0.814 53 E CB -1.264 28.486 29.700 0.084 0.000 0.762 53 E HN 0.538 nan 8.360 nan 0.000 0.460 54 T N 0.648 115.207 114.554 0.008 0.000 2.720 54 T HA -0.152 4.199 4.350 0.001 0.000 0.268 54 T C 2.207 176.793 174.700 -0.191 0.000 1.037 54 T CA 1.652 63.734 62.100 -0.029 0.000 1.144 54 T CB -0.289 68.625 68.868 0.076 0.000 0.864 54 T HN 0.389 nan 8.240 nan 0.000 0.444 55 M N 0.996 120.412 119.600 -0.306 0.000 2.067 55 M HA -0.116 4.365 4.480 0.001 0.000 0.260 55 M C 2.366 178.458 176.300 -0.347 0.000 1.069 55 M CA 1.888 56.929 55.300 -0.432 0.000 1.117 55 M CB -0.427 32.026 32.600 -0.244 0.000 1.334 55 M HN 0.183 nan 8.290 nan 0.000 0.407 56 D N 0.555 120.695 120.400 -0.433 0.000 2.144 56 D HA -0.139 4.501 4.640 0.001 0.000 0.200 56 D C 2.046 178.101 176.300 -0.409 0.000 0.978 56 D CA 2.262 55.831 54.000 -0.718 0.000 0.833 56 D CB 0.110 40.394 40.800 -0.860 0.000 0.961 56 D HN 0.210 nan 8.370 nan 0.000 0.470 57 K N 0.185 120.441 120.400 -0.241 0.000 2.211 57 K HA 0.227 4.547 4.320 0.001 0.000 0.203 57 K C 2.171 178.693 176.600 -0.130 0.000 1.050 57 K CA 1.389 57.585 56.287 -0.151 0.000 0.945 57 K CB -0.902 31.548 32.500 -0.084 0.000 0.732 57 K HN 0.329 nan 8.250 nan 0.000 0.451 58 A N 0.907 123.656 122.820 -0.119 0.000 1.935 58 A HA 0.113 4.433 4.320 0.001 0.000 0.214 58 A C 2.534 180.029 177.584 -0.148 0.000 1.178 58 A CA 1.615 53.611 52.037 -0.068 0.000 0.640 58 A CB -0.478 18.609 19.000 0.144 0.000 0.825 58 A HN 0.890 nan 8.150 nan 0.000 0.447 59 V N -2.463 117.390 119.914 -0.101 0.000 2.809 59 V HA -0.170 3.950 4.120 0.001 0.000 0.256 59 V C 1.814 177.861 176.094 -0.078 0.000 1.080 59 V CA 2.165 64.433 62.300 -0.055 0.000 1.102 59 V CB -0.794 30.977 31.823 -0.086 0.000 0.705 59 V HN 0.573 nan 8.190 nan 0.000 0.475 60 Q N 0.467 120.178 119.800 -0.148 0.000 2.339 60 Q HA 0.157 4.498 4.340 0.001 0.000 0.205 60 Q C 2.535 178.465 176.000 -0.115 0.000 0.925 60 Q CA 1.207 56.931 55.803 -0.132 0.000 0.898 60 Q CB -0.129 28.512 28.738 -0.161 0.000 1.013 60 Q HN 0.752 nan 8.270 nan 0.000 0.504 61 R N -0.058 120.366 120.500 -0.127 0.000 2.339 61 R HA -0.065 4.275 4.340 0.001 0.000 0.199 61 R C 1.255 177.474 176.300 -0.134 0.000 1.018 61 R CA 0.925 56.949 56.100 -0.127 0.000 1.036 61 R CB -0.947 29.282 30.300 -0.120 0.000 0.899 61 R HN 0.331 nan 8.270 nan 0.000 0.473 62 F N -0.166 119.592 119.950 -0.321 0.000 2.480 62 F HA 0.186 4.714 4.527 0.001 0.000 0.280 62 F C 2.823 178.524 175.800 -0.165 0.000 1.002 62 F CA 1.141 58.960 58.000 -0.302 0.000 1.325 62 F CB 0.067 38.798 39.000 -0.449 0.000 1.134 62 F HN 0.250 nan 8.300 nan 0.000 0.646 63 R N 1.087 121.545 120.500 -0.070 0.000 2.189 63 R HA 0.089 4.429 4.340 0.001 0.000 0.223 63 R C 2.057 178.255 176.300 -0.170 0.000 1.092 63 R CA 1.574 57.600 56.100 -0.122 0.000 0.989 63 R CB -2.231 28.059 30.300 -0.016 0.000 0.876 63 R HN 0.445 nan 8.270 nan 0.000 0.457 64 L N -0.860 120.269 121.223 -0.158 0.000 2.095 64 L HA 0.186 4.526 4.340 0.001 0.000 0.204 64 L C 2.796 179.555 176.870 -0.185 0.000 1.080 64 L CA 2.317 57.070 54.840 -0.145 0.000 0.759 64 L CB -1.794 40.199 42.059 -0.110 0.000 0.914 64 L HN 0.665 nan 8.230 nan 0.000 0.439 65 Q N -0.629 119.028 119.800 -0.239 0.000 2.451 65 Q HA 0.081 4.421 4.340 0.001 0.000 0.206 65 Q C 0.770 176.557 176.000 -0.355 0.000 0.947 65 Q CA 1.060 56.713 55.803 -0.249 0.000 0.937 65 Q CB -0.659 27.958 28.738 -0.202 0.000 1.025 65 Q HN 0.913 nan 8.270 nan 0.000 0.511 66 N N 0.042 118.437 118.700 -0.508 0.000 2.707 66 N HA 0.226 4.966 4.740 0.001 0.000 0.249 66 N C -2.400 172.907 175.510 -0.337 0.000 1.299 66 N CA -0.981 51.764 53.050 -0.508 0.000 0.769 66 N CB 2.161 40.101 38.487 -0.912 0.000 1.236 66 N HN 0.131 nan 8.380 nan 0.000 0.524 67 P HA 0.063 nan 4.420 nan 0.000 0.231 67 P C 0.183 177.426 177.300 -0.094 0.000 1.168 67 P CA 1.014 64.033 63.100 -0.136 0.000 0.779 67 P CB 0.281 31.917 31.700 -0.106 0.000 0.844 68 D N -0.651 119.696 120.400 -0.088 0.000 2.462 68 D HA 0.429 5.069 4.640 0.001 0.000 0.221 68 D C 0.789 177.069 176.300 -0.033 0.000 1.173 68 D CA -0.128 53.841 54.000 -0.052 0.000 0.831 68 D CB -0.520 40.254 40.800 -0.044 0.000 1.001 68 D HN 0.251 nan 8.370 nan 0.000 0.499 69 L N 0.721 121.924 121.223 -0.033 0.000 2.361 69 L HA 0.588 4.928 4.340 0.001 0.000 0.278 69 L C 0.514 177.396 176.870 0.020 0.000 1.113 69 L CA -0.507 54.341 54.840 0.014 0.000 0.849 69 L CB 0.624 42.723 42.059 0.067 0.000 1.155 69 L HN 0.199 nan 8.230 nan 0.000 0.452 70 D N 2.318 122.728 120.400 0.018 0.000 2.416 70 D HA 0.180 4.820 4.640 0.001 0.000 0.240 70 D C 1.568 177.870 176.300 0.004 0.000 1.250 70 D CA 0.681 54.685 54.000 0.007 0.000 0.967 70 D CB 0.815 41.617 40.800 0.004 0.000 1.059 70 D HN 0.758 nan 8.370 nan 0.000 0.512 71 S N 2.302 118.002 115.700 -0.001 0.000 2.368 71 S HA -0.204 4.267 4.470 0.001 0.000 0.224 71 S C 2.008 176.573 174.600 -0.057 0.000 1.029 71 S CA 1.196 59.385 58.200 -0.018 0.000 0.988 71 S CB -0.500 62.694 63.200 -0.010 0.000 0.838 71 S HN 0.505 nan 8.310 nan 0.000 0.462 72 E N 1.608 121.781 120.200 -0.045 0.000 2.204 72 E HA 0.214 4.564 4.350 0.001 0.000 0.194 72 E C 2.123 178.695 176.600 -0.046 0.000 0.989 72 E CA 1.275 57.643 56.400 -0.053 0.000 0.824 72 E CB -1.189 28.489 29.700 -0.036 0.000 0.756 72 E HN 0.834 nan 8.360 nan 0.000 0.477 73 A N 0.152 122.955 122.820 -0.029 0.000 1.929 73 A HA 0.139 4.459 4.320 0.001 0.000 0.216 73 A C 2.317 179.891 177.584 -0.018 0.000 1.176 73 A CA 1.246 53.274 52.037 -0.016 0.000 0.628 73 A CB -0.192 18.806 19.000 -0.004 0.000 0.816 73 A HN 0.442 nan 8.150 nan 0.000 0.444 74 L N -0.168 121.038 121.223 -0.029 0.000 2.046 74 L HA -0.112 4.228 4.340 0.001 0.000 0.208 74 L C 2.235 179.057 176.870 -0.079 0.000 1.077 74 L CA 1.907 56.726 54.840 -0.035 0.000 0.747 74 L CB -0.969 41.064 42.059 -0.044 0.000 0.896 74 L HN 0.440 nan 8.230 nan 0.000 0.432 75 L N -0.811 120.318 121.223 -0.157 0.000 2.240 75 L HA -0.106 4.235 4.340 0.001 0.000 0.211 75 L C 2.256 179.079 176.870 -0.079 0.000 1.106 75 L CA 1.293 55.987 54.840 -0.243 0.000 0.793 75 L CB -0.595 41.262 42.059 -0.338 0.000 0.927 75 L HN 0.327 nan 8.230 nan 0.000 0.446 76 T N -2.658 111.870 114.554 -0.042 0.000 3.100 76 T HA 0.084 4.435 4.350 0.001 0.000 0.253 76 T C 0.654 175.365 174.700 0.018 0.000 1.118 76 T CA -0.228 61.868 62.100 -0.006 0.000 1.058 76 T CB -0.176 68.686 68.868 -0.010 0.000 0.953 76 T HN -0.099 nan 8.240 nan 0.000 0.515 77 L N 3.625 124.863 121.223 0.024 0.000 2.500 77 L HA 0.332 4.672 4.340 0.001 0.000 0.272 77 L C -2.125 174.782 176.870 0.062 0.000 1.149 77 L CA -1.964 52.900 54.840 0.041 0.000 0.897 77 L CB 0.197 42.283 42.059 0.045 0.000 1.178 77 L HN 0.046 nan 8.230 nan 0.000 0.473 78 P HA -0.008 nan 4.420 nan 0.000 0.271 78 P C 0.635 177.966 177.300 0.052 0.000 1.233 78 P CA -0.498 62.635 63.100 0.055 0.000 0.789 78 P CB 0.567 32.294 31.700 0.045 0.000 0.951 79 L N 1.748 122.996 121.223 0.042 0.000 2.046 79 L HA -0.153 4.187 4.340 0.001 0.000 0.208 79 L C 1.794 178.675 176.870 0.019 0.000 1.077 79 L CA 1.962 56.816 54.840 0.022 0.000 0.747 79 L CB -1.102 40.953 42.059 -0.006 0.000 0.896 79 L HN 0.246 nan 8.230 nan 0.000 0.432 80 L N -0.764 120.474 121.223 0.024 0.000 2.042 80 L HA -0.230 4.110 4.340 0.001 0.000 0.210 80 L C 2.573 179.462 176.870 0.032 0.000 1.076 80 L CA 1.788 56.644 54.840 0.027 0.000 0.749 80 L CB -1.771 40.310 42.059 0.036 0.000 0.893 80 L HN 0.469 nan 8.230 nan 0.000 0.432 81 Q N -0.585 119.236 119.800 0.036 0.000 2.079 81 Q HA -0.191 4.150 4.340 0.001 0.000 0.200 81 Q C 2.375 178.400 176.000 0.042 0.000 0.974 81 Q CA 0.981 56.806 55.803 0.037 0.000 0.840 81 Q CB -0.162 28.599 28.738 0.037 0.000 0.898 81 Q HN 0.297 nan 8.270 nan 0.000 0.430 82 L N 0.407 121.657 121.223 0.045 0.000 2.012 82 L HA -0.194 4.147 4.340 0.001 0.000 0.210 82 L C 2.360 179.256 176.870 0.043 0.000 1.073 82 L CA 1.534 56.404 54.840 0.050 0.000 0.748 82 L CB -0.479 41.617 42.059 0.062 0.000 0.891 82 L HN 0.243 nan 8.230 nan 0.000 0.431 83 V N -1.154 118.779 119.914 0.033 0.000 2.515 83 V HA -0.261 3.859 4.120 0.001 0.000 0.250 83 V C 2.306 178.436 176.094 0.059 0.000 1.058 83 V CA 1.796 64.120 62.300 0.041 0.000 1.064 83 V CB -0.831 31.006 31.823 0.023 0.000 0.675 83 V HN 0.805 nan 8.190 nan 0.000 0.461 84 Q N 0.489 120.318 119.800 0.047 0.000 2.123 84 Q HA -0.094 4.247 4.340 0.001 0.000 0.199 84 Q C 2.208 178.238 176.000 0.050 0.000 0.966 84 Q CA 1.887 57.716 55.803 0.044 0.000 0.845 84 Q CB -0.557 28.203 28.738 0.035 0.000 0.907 84 Q HN 0.576 nan 8.270 nan 0.000 0.439 85 K N -0.337 120.095 120.400 0.054 0.000 2.167 85 K HA 0.005 4.325 4.320 0.001 0.000 0.203 85 K C 1.764 178.410 176.600 0.076 0.000 1.052 85 K CA 0.481 56.802 56.287 0.056 0.000 0.956 85 K CB 0.034 32.565 32.500 0.052 0.000 0.735 85 K HN 0.214 nan 8.250 nan 0.000 0.451 86 L N 1.430 122.711 121.223 0.096 0.000 2.046 86 L HA -0.188 4.153 4.340 0.001 0.000 0.208 86 L C 2.420 179.404 176.870 0.190 0.000 1.077 86 L CA 1.754 56.689 54.840 0.158 0.000 0.747 86 L CB -1.020 41.135 42.059 0.161 0.000 0.896 86 L HN 0.169 nan 8.230 nan 0.000 0.432 87 Q N -0.296 119.578 119.800 0.123 0.000 2.167 87 Q HA -0.129 4.211 4.340 0.001 0.000 0.202 87 Q C 2.330 178.336 176.000 0.010 0.000 0.970 87 Q CA 1.846 57.676 55.803 0.046 0.000 0.855 87 Q CB -0.183 28.574 28.738 0.031 0.000 0.911 87 Q HN 0.584 nan 8.270 nan 0.000 0.438 88 S N -2.097 113.621 115.700 0.031 0.000 2.548 88 S HA 0.251 4.721 4.470 0.001 0.000 0.215 88 S C 1.299 175.916 174.600 0.029 0.000 0.976 88 S CA 0.498 58.710 58.200 0.020 0.000 0.908 88 S CB 0.100 63.313 63.200 0.023 0.000 0.781 88 S HN 0.591 nan 8.310 nan 0.000 0.519 89 G N 1.119 109.950 108.800 0.053 0.000 2.147 89 G HA2 -0.297 3.663 3.960 0.001 0.000 0.244 89 G HA3 -0.297 3.663 3.960 0.001 0.000 0.244 89 G C 0.401 175.336 174.900 0.059 0.000 1.005 89 G CA 0.488 45.626 45.100 0.064 0.000 0.713 89 G HN 0.555 nan 8.290 nan 0.000 0.515 90 E N -0.954 119.279 120.200 0.055 0.000 2.150 90 E HA 0.082 4.432 4.350 0.001 0.000 0.193 90 E C 1.060 177.697 176.600 0.061 0.000 0.985 90 E CA 0.741 57.172 56.400 0.051 0.000 0.814 90 E CB -0.021 29.706 29.700 0.044 0.000 0.752 90 E HN 0.676 nan 8.360 nan 0.000 0.466 91 L N 0.557 121.824 121.223 0.074 0.000 2.346 91 L HA 0.307 4.647 4.340 0.001 0.000 0.276 91 L C 0.013 176.943 176.870 0.099 0.000 1.006 91 L CA -1.052 53.839 54.840 0.084 0.000 0.817 91 L CB 1.885 43.991 42.059 0.078 0.000 1.272 91 L HN -0.108 nan 8.230 nan 0.000 0.421 92 S N 1.167 116.932 115.700 0.107 0.000 2.576 92 S HA 0.284 4.754 4.470 0.001 0.000 0.276 92 S C -1.927 172.719 174.600 0.076 0.000 1.339 92 S CA -0.907 57.361 58.200 0.112 0.000 1.039 92 S CB 0.999 64.277 63.200 0.129 0.000 0.902 92 S HN 0.458 nan 8.310 nan 0.000 0.516 93 P HA -0.070 nan 4.420 nan 0.000 0.218 93 P C 0.942 178.217 177.300 -0.043 0.000 1.148 93 P CA 1.153 64.196 63.100 -0.095 0.000 0.822 93 P CB -0.018 31.541 31.700 -0.235 0.000 0.784 94 E N -0.239 119.989 120.200 0.047 0.000 2.153 94 E HA -0.141 4.209 4.350 0.001 0.000 0.194 94 E C 2.091 178.723 176.600 0.053 0.000 0.988 94 E CA 1.415 57.904 56.400 0.149 0.000 0.811 94 E CB -0.920 28.944 29.700 0.273 0.000 0.746 94 E HN 0.185 nan 8.360 nan 0.000 0.466 95 A N 0.839 123.729 122.820 0.117 0.000 1.855 95 A HA -0.157 4.163 4.320 0.001 0.000 0.215 95 A C 2.532 180.115 177.584 -0.003 0.000 1.191 95 A CA 1.804 53.926 52.037 0.143 0.000 0.613 95 A CB -1.014 18.135 19.000 0.248 0.000 0.829 95 A HN 0.252 nan 8.150 nan 0.000 0.442 96 V N -3.168 116.758 119.914 0.020 0.000 2.453 96 V HA -0.148 3.973 4.120 0.001 0.000 0.247 96 V C 2.260 178.357 176.094 0.003 0.000 1.048 96 V CA 1.989 64.311 62.300 0.036 0.000 1.049 96 V CB -1.119 30.736 31.823 0.054 0.000 0.672 96 V HN 0.448 nan 8.190 nan 0.000 0.457 97 F N 0.924 120.706 119.950 -0.280 0.000 2.084 97 F HA -0.035 4.492 4.527 0.001 0.000 0.296 97 F C 2.013 177.498 175.800 -0.526 0.000 1.111 97 F CA 2.119 59.832 58.000 -0.478 0.000 1.224 97 F CB -0.205 38.422 39.000 -0.622 0.000 0.991 97 F HN 0.147 nan 8.300 nan 0.000 0.471 98 F N -0.156 119.515 119.950 -0.465 0.000 2.456 98 F HA -0.086 4.441 4.527 0.001 0.000 0.298 98 F C 2.313 177.857 175.800 -0.427 0.000 1.104 98 F CA 1.129 58.756 58.000 -0.622 0.000 1.435 98 F CB -0.596 37.819 39.000 -0.976 0.000 1.078 98 F HN -0.114 nan 8.300 nan 0.000 0.546 99 T N -1.090 113.358 114.554 -0.176 0.000 2.812 99 T HA -0.189 4.161 4.350 0.001 0.000 0.264 99 T C 1.561 176.136 174.700 -0.207 0.000 1.042 99 T CA 1.295 63.330 62.100 -0.108 0.000 1.140 99 T CB -0.458 68.363 68.868 -0.078 0.000 0.870 99 T HN 0.156 nan 8.240 nan 0.000 0.445 100 Y N 1.139 121.285 120.300 -0.257 0.000 2.145 100 Y HA 0.038 4.588 4.550 0.001 0.000 0.286 100 Y C 2.289 178.010 175.900 -0.297 0.000 1.145 100 Y CA 0.634 58.552 58.100 -0.303 0.000 1.148 100 Y CB -0.475 37.711 38.460 -0.457 0.000 0.981 100 Y HN 0.092 nan 8.280 nan 0.000 0.507 101 L N -0.782 120.239 121.223 -0.337 0.000 2.127 101 L HA -0.233 4.107 4.340 0.001 0.000 0.211 101 L C 2.329 179.191 176.870 -0.013 0.000 1.089 101 L CA 1.574 56.283 54.840 -0.218 0.000 0.757 101 L CB -1.014 40.734 42.059 -0.517 0.000 0.899 101 L HN 0.426 nan 8.230 nan 0.000 0.434 102 G N -0.074 108.710 108.800 -0.027 0.000 2.453 102 G HA2 -0.347 3.614 3.960 0.001 0.000 0.215 102 G HA3 -0.347 3.614 3.960 0.001 0.000 0.215 102 G C 1.585 176.547 174.900 0.104 0.000 1.201 102 G CA 0.939 46.064 45.100 0.042 0.000 0.784 102 G HN 0.209 nan 8.290 nan 0.000 0.545 103 K N 1.153 121.570 120.400 0.028 0.000 2.148 103 K HA 0.214 4.534 4.320 0.001 0.000 0.204 103 K C 2.592 179.250 176.600 0.097 0.000 1.050 103 K CA 1.398 57.702 56.287 0.029 0.000 0.942 103 K CB -0.594 31.857 32.500 -0.083 0.000 0.724 103 K HN 0.190 nan 8.250 nan 0.000 0.446 104 A N -0.194 122.725 122.820 0.165 0.000 1.858 104 A HA -0.165 4.156 4.320 0.001 0.000 0.216 104 A C 2.185 179.869 177.584 0.167 0.000 1.190 104 A CA 1.579 53.736 52.037 0.200 0.000 0.617 104 A CB -1.246 17.961 19.000 0.344 0.000 0.827 104 A HN 0.658 nan 8.150 nan 0.000 0.443 105 W N 0.743 122.054 121.300 0.019 0.000 2.363 105 W HA -0.144 4.516 4.660 0.001 0.000 0.296 105 W C 1.989 178.503 176.519 -0.009 0.000 1.212 105 W CA 1.903 59.245 57.345 -0.005 0.000 1.260 105 W CB -0.049 29.399 29.460 -0.021 0.000 1.131 105 W HN 0.481 nan 8.180 nan 0.000 0.530 106 E N -0.338 119.988 120.200 0.210 0.000 2.077 106 E HA -0.248 4.103 4.350 0.001 0.000 0.193 106 E C 2.235 178.777 176.600 -0.097 0.000 0.989 106 E CA 2.450 58.879 56.400 0.048 0.000 0.800 106 E CB -0.488 29.285 29.700 0.122 0.000 0.746 106 E HN 0.311 nan 8.360 nan 0.000 0.452 107 V N -0.512 119.368 119.914 -0.057 0.000 2.719 107 V HA -0.081 4.039 4.120 0.001 0.000 0.252 107 V C 1.865 177.893 176.094 -0.109 0.000 1.065 107 V CA 1.743 63.998 62.300 -0.076 0.000 1.086 107 V CB -0.525 31.273 31.823 -0.043 0.000 0.700 107 V HN 0.118 nan 8.190 nan 0.000 0.467 108 N N 1.225 119.845 118.700 -0.133 0.000 2.205 108 N HA -0.180 4.561 4.740 0.001 0.000 0.186 108 N C 1.745 177.137 175.510 -0.198 0.000 1.015 108 N CA 1.736 54.696 53.050 -0.150 0.000 0.862 108 N CB -0.431 37.965 38.487 -0.152 0.000 0.986 108 N HN 0.584 nan 8.380 nan 0.000 0.429 109 K N -1.248 118.973 120.400 -0.298 0.000 2.152 109 K HA -0.026 4.294 4.320 0.001 0.000 0.206 109 K C 1.686 178.188 176.600 -0.165 0.000 1.048 109 K CA 1.317 57.434 56.287 -0.283 0.000 0.933 109 K CB -0.213 32.056 32.500 -0.385 0.000 0.721 109 K HN 0.302 nan 8.250 nan 0.000 0.447 110 G N -0.690 108.030 108.800 -0.133 0.000 2.887 110 G HA2 -0.094 3.866 3.960 0.001 0.000 0.211 110 G HA3 -0.094 3.866 3.960 0.001 0.000 0.211 110 G C 1.293 176.156 174.900 -0.061 0.000 1.152 110 G CA 0.761 45.809 45.100 -0.086 0.000 0.769 110 G HN 0.396 nan 8.290 nan 0.000 0.541 111 T N -3.145 111.370 114.554 -0.064 0.000 3.026 111 T HA 0.123 4.473 4.350 0.001 0.000 0.245 111 T C 0.954 175.637 174.700 -0.029 0.000 1.004 111 T CA 0.566 62.644 62.100 -0.036 0.000 1.069 111 T CB -0.053 68.799 68.868 -0.026 0.000 1.005 111 T HN 0.166 nan 8.240 nan 0.000 0.472 112 N N 0.624 119.296 118.700 -0.047 0.000 2.708 112 N HA -0.177 4.563 4.740 0.001 0.000 0.255 112 N C 0.629 176.123 175.510 -0.027 0.000 1.046 112 N CA 0.630 53.661 53.050 -0.033 0.000 0.715 112 N CB -1.756 36.725 38.487 -0.010 0.000 0.895 112 N HN 0.805 nan 8.380 nan 0.000 0.545 113 C N -3.127 116.146 119.300 -0.044 0.000 2.865 113 C HA 0.505 4.966 4.460 0.001 0.000 0.280 113 C C 0.965 175.900 174.990 -0.092 0.000 1.255 113 C CA -0.438 58.548 59.018 -0.053 0.000 1.705 113 C CB -0.662 27.054 27.740 -0.040 0.000 2.080 113 C HN 0.251 nan 8.230 nan 0.000 0.591 114 V N 2.533 122.392 119.914 -0.091 0.000 2.364 114 V HA 0.276 4.396 4.120 0.001 0.000 0.272 114 V C 1.089 177.102 176.094 -0.135 0.000 1.036 114 V CA 0.656 62.890 62.300 -0.110 0.000 0.880 114 V CB 1.199 32.981 31.823 -0.068 0.000 0.991 114 V HN 0.509 nan 8.190 nan 0.000 0.460 115 T N 2.976 117.396 114.554 -0.223 0.000 2.983 115 T HA 0.106 4.456 4.350 0.001 0.000 0.250 115 T C 0.581 175.175 174.700 -0.177 0.000 1.037 115 T CA 1.102 62.941 62.100 -0.435 0.000 1.142 115 T CB 0.228 68.679 68.868 -0.695 0.000 0.876 115 T HN 0.806 nan 8.240 nan 0.000 0.455 116 S N -0.531 115.132 115.700 -0.061 0.000 2.567 116 S HA 0.502 4.973 4.470 0.001 0.000 0.270 116 S C -1.603 173.016 174.600 0.031 0.000 1.152 116 S CA -1.070 57.169 58.200 0.064 0.000 0.835 116 S CB 1.238 64.535 63.200 0.161 0.000 1.115 116 S HN 0.318 nan 8.310 nan 0.000 0.459 117 Y N 1.868 122.156 120.300 -0.020 0.000 2.327 117 Y HA 0.562 5.113 4.550 0.001 0.000 0.336 117 Y C -0.353 175.498 175.900 -0.082 0.000 1.035 117 Y CA -0.959 57.111 58.100 -0.050 0.000 1.165 117 Y CB 0.591 39.086 38.460 0.059 0.000 1.181 117 Y HN 0.668 nan 8.280 nan 0.000 0.494 118 L N 7.667 128.482 121.223 -0.681 0.000 2.415 118 L HA 0.032 4.372 4.340 0.001 0.000 0.269 118 L C 1.678 178.220 176.870 -0.548 0.000 1.244 118 L CA 0.163 54.491 54.840 -0.854 0.000 1.113 118 L CB -0.130 41.175 42.059 -1.256 0.000 1.352 118 L HN 0.908 nan 8.230 nan 0.000 0.433 119 T N -1.320 113.162 114.554 -0.119 0.000 2.759 119 T HA -0.239 4.111 4.350 0.001 0.000 0.269 119 T C 1.101 175.788 174.700 -0.022 0.000 1.042 119 T CA 1.591 63.645 62.100 -0.078 0.000 1.140 119 T CB -0.358 68.611 68.868 0.167 0.000 0.864 119 T HN 0.717 nan 8.240 nan 0.000 0.455 120 D N 1.455 121.903 120.400 0.080 0.000 2.346 120 D HA 0.137 4.778 4.640 0.001 0.000 0.248 120 D C 1.125 177.439 176.300 0.024 0.000 1.173 120 D CA -0.108 53.938 54.000 0.077 0.000 0.878 120 D CB -1.218 39.647 40.800 0.108 0.000 0.919 120 D HN 0.773 nan 8.370 nan 0.000 0.513 121 C N -1.643 117.614 119.300 -0.072 0.000 2.641 121 C HA 0.476 4.936 4.460 0.001 0.000 0.318 121 C C 1.469 176.392 174.990 -0.113 0.000 1.490 121 C CA -0.411 58.515 59.018 -0.154 0.000 2.260 121 C CB 0.594 28.181 27.740 -0.254 0.000 2.103 121 C HN 0.576 nan 8.230 nan 0.000 0.641 122 E N -1.648 118.405 120.200 -0.244 0.000 5.086 122 E HA -0.281 4.069 4.350 0.001 0.000 0.187 122 E C 1.271 177.829 176.600 -0.070 0.000 1.056 122 E CA 2.039 58.367 56.400 -0.120 0.000 2.105 122 E CB -1.979 27.780 29.700 0.098 0.000 1.787 122 E HN 0.989 nan 8.360 nan 0.000 0.445 123 T N -1.319 113.207 114.554 -0.046 0.000 3.148 123 T HA 0.064 4.414 4.350 0.001 0.000 0.253 123 T C 1.436 176.097 174.700 -0.065 0.000 1.134 123 T CA 1.134 63.212 62.100 -0.037 0.000 1.051 123 T CB 0.387 69.249 68.868 -0.009 0.000 0.959 123 T HN 0.036 nan 8.240 nan 0.000 0.525 124 Q N 0.446 120.176 119.800 -0.116 0.000 2.392 124 Q HA 0.384 4.725 4.340 0.001 0.000 0.219 124 Q C 1.877 177.753 176.000 -0.206 0.000 0.895 124 Q CA 0.447 56.167 55.803 -0.138 0.000 0.929 124 Q CB -0.427 28.231 28.738 -0.134 0.000 1.077 124 Q HN 0.499 nan 8.270 nan 0.000 0.532 125 L N -0.515 120.535 121.223 -0.288 0.000 2.056 125 L HA -0.135 4.205 4.340 0.001 0.000 0.207 125 L C 2.208 178.993 176.870 -0.142 0.000 1.078 125 L CA 1.299 55.961 54.840 -0.298 0.000 0.749 125 L CB -0.442 41.395 42.059 -0.369 0.000 0.901 125 L HN 0.178 nan 8.230 nan 0.000 0.433 126 S N -0.565 115.084 115.700 -0.085 0.000 2.338 126 S HA -0.187 4.283 4.470 0.001 0.000 0.218 126 S C 1.484 176.079 174.600 -0.008 0.000 1.032 126 S CA 1.444 59.629 58.200 -0.025 0.000 0.999 126 S CB -0.266 62.927 63.200 -0.011 0.000 0.905 126 S HN 0.535 nan 8.310 nan 0.000 0.439 127 Q N 0.270 120.057 119.800 -0.021 0.000 3.181 127 Q HA 0.697 5.038 4.340 0.001 0.000 0.293 127 Q C -0.326 175.670 176.000 -0.006 0.000 1.406 127 Q CA 0.029 55.827 55.803 -0.008 0.000 1.026 127 Q CB -0.412 28.316 28.738 -0.016 0.000 1.630 127 Q HN 0.555 nan 8.270 nan 0.000 0.553 128 A N 2.303 125.143 122.820 0.034 0.000 2.267 128 A HA 0.718 5.039 4.320 0.001 0.000 0.315 128 A C -2.577 175.135 177.584 0.214 0.000 1.297 128 A CA -1.812 50.270 52.037 0.074 0.000 0.865 128 A CB 0.851 19.837 19.000 -0.024 0.000 1.165 128 A HN 0.476 nan 8.150 nan 0.000 0.513 129 P HA 0.065 nan 4.420 nan 0.000 0.261 129 P C 0.822 178.184 177.300 0.104 0.000 1.203 129 P CA -0.082 63.079 63.100 0.101 0.000 0.767 129 P CB 0.496 32.234 31.700 0.062 0.000 0.785 130 R N 3.663 124.114 120.500 -0.081 0.000 2.115 130 R HA -0.129 4.212 4.340 0.001 0.000 0.226 130 R C 2.086 178.146 176.300 -0.399 0.000 1.100 130 R CA 1.990 57.816 56.100 -0.457 0.000 0.980 130 R CB -0.379 29.715 30.300 -0.344 0.000 0.875 130 R HN 0.566 nan 8.270 nan 0.000 0.445 131 Q N -0.080 119.623 119.800 -0.161 0.000 2.392 131 Q HA 0.189 4.530 4.340 0.001 0.000 0.203 131 Q C 0.860 176.839 176.000 -0.034 0.000 0.917 131 Q CA 0.591 56.334 55.803 -0.099 0.000 0.939 131 Q CB -0.001 28.701 28.738 -0.060 0.000 1.063 131 Q HN 0.458 nan 8.270 nan 0.000 0.516 132 G N 0.024 108.831 108.800 0.011 0.000 2.544 132 G HA2 0.345 4.305 3.960 0.001 0.000 0.242 132 G HA3 0.345 4.305 3.960 0.001 0.000 0.242 132 G C 0.542 175.478 174.900 0.060 0.000 1.247 132 G CA -0.483 44.649 45.100 0.053 0.000 0.840 132 G HN 0.256 nan 8.290 nan 0.000 0.578 133 L N 0.934 122.176 121.223 0.032 0.000 2.552 133 L HA 0.230 4.571 4.340 0.001 0.000 0.227 133 L C 1.739 178.616 176.870 0.012 0.000 1.146 133 L CA 0.879 55.726 54.840 0.012 0.000 0.858 133 L CB -0.608 41.439 42.059 -0.019 0.000 0.969 133 L HN 0.454 nan 8.230 nan 0.000 0.451 134 L N -2.335 118.904 121.223 0.027 0.000 3.291 134 L HA 0.052 4.393 4.340 0.001 0.000 0.307 134 L C 1.369 178.249 176.870 0.017 0.000 1.303 134 L CA -0.209 54.632 54.840 0.001 0.000 0.949 134 L CB 0.148 42.183 42.059 -0.040 0.000 1.375 134 L HN 0.096 nan 8.230 nan 0.000 0.596 135 Y N 1.136 121.409 120.300 -0.045 0.000 2.069 135 Y HA -0.269 4.282 4.550 0.001 0.000 0.278 135 Y C 1.933 177.800 175.900 -0.056 0.000 1.175 135 Y CA 2.227 60.301 58.100 -0.044 0.000 1.134 135 Y CB 0.201 38.643 38.460 -0.030 0.000 0.965 135 Y HN 0.235 nan 8.280 nan 0.000 0.498 136 G N -0.506 108.061 108.800 -0.388 0.000 2.986 136 G HA2 0.152 4.112 3.960 0.001 0.000 0.213 136 G HA3 0.152 4.112 3.960 0.001 0.000 0.213 136 G C -0.289 174.443 174.900 -0.279 0.000 1.156 136 G CA 0.161 44.977 45.100 -0.475 0.000 0.763 136 G HN 0.149 nan 8.290 nan 0.000 0.547 137 V N 3.657 123.448 119.914 -0.204 0.000 2.470 137 V HA 0.197 4.318 4.120 0.001 0.000 0.276 137 V C -1.763 174.207 176.094 -0.206 0.000 1.040 137 V CA -1.605 60.581 62.300 -0.190 0.000 1.008 137 V CB 1.236 32.971 31.823 -0.146 0.000 0.990 137 V HN 0.112 nan 8.190 nan 0.000 0.477 138 P HA 0.201 nan 4.420 nan 0.000 0.271 138 P C -0.675 176.553 177.300 -0.119 0.000 1.216 138 P CA 0.086 63.017 63.100 -0.283 0.000 0.771 138 P CB 1.174 32.420 31.700 -0.756 0.000 0.864 139 V N 0.348 120.347 119.914 0.141 0.000 2.540 139 V HA 0.583 4.703 4.120 0.001 0.000 0.302 139 V C 0.019 176.187 176.094 0.124 0.000 1.035 139 V CA -0.936 61.428 62.300 0.107 0.000 0.873 139 V CB 1.324 33.117 31.823 -0.050 0.000 0.992 139 V HN 0.571 nan 8.190 nan 0.000 0.428 140 S N 5.612 121.314 115.700 0.004 0.000 2.565 140 S HA 0.742 5.213 4.470 0.001 0.000 0.276 140 S C -0.400 174.075 174.600 -0.208 0.000 1.326 140 S CA -0.646 57.415 58.200 -0.231 0.000 1.045 140 S CB 0.886 63.967 63.200 -0.197 0.000 0.918 140 S HN 0.781 nan 8.310 nan 0.000 0.505 141 L N 2.053 123.150 121.223 -0.211 0.000 2.341 141 L HA 0.486 4.827 4.340 0.001 0.000 0.278 141 L C 0.397 177.260 176.870 -0.012 0.000 1.005 141 L CA -0.836 53.928 54.840 -0.127 0.000 0.818 141 L CB 1.717 43.764 42.059 -0.019 0.000 1.259 141 L HN 0.699 nan 8.230 nan 0.000 0.418 142 K N 1.914 122.347 120.400 0.055 0.000 2.485 142 K HA -0.063 4.257 4.320 0.001 0.000 0.277 142 K C 0.998 177.658 176.600 0.100 0.000 0.990 142 K CA 0.217 56.589 56.287 0.142 0.000 0.994 142 K CB 0.678 33.369 32.500 0.318 0.000 0.906 142 K HN 0.613 nan 8.250 nan 0.000 0.488 143 E N 2.039 122.130 120.200 -0.181 0.000 2.267 143 E HA -0.208 4.142 4.350 0.001 0.000 0.197 143 E C 1.557 177.925 176.600 -0.388 0.000 0.998 143 E CA 1.347 57.380 56.400 -0.611 0.000 0.830 143 E CB -0.027 29.397 29.700 -0.460 0.000 0.751 143 E HN 0.809 nan 8.360 nan 0.000 0.491 144 C N -0.400 118.814 119.300 -0.143 0.000 2.456 144 C HA 0.072 4.533 4.460 0.001 0.000 0.279 144 C C 1.099 175.986 174.990 -0.171 0.000 1.427 144 C CA -0.753 58.171 59.018 -0.157 0.000 1.778 144 C CB -1.628 25.988 27.740 -0.208 0.000 1.842 144 C HN 0.031 nan 8.230 nan 0.000 0.531 145 F N 4.046 124.000 119.950 0.006 0.000 2.512 145 F HA 0.238 4.765 4.527 0.001 0.000 0.350 145 F C 1.300 177.225 175.800 0.209 0.000 1.212 145 F CA 0.152 58.212 58.000 0.098 0.000 1.099 145 F CB -0.165 38.897 39.000 0.102 0.000 1.238 145 F HN 0.249 nan 8.300 nan 0.000 0.600 146 S N 3.956 119.815 115.700 0.265 0.000 2.498 146 S HA 0.145 4.616 4.470 0.001 0.000 0.281 146 S C -0.877 173.904 174.600 0.302 0.000 1.265 146 S CA -0.486 57.875 58.200 0.267 0.000 1.071 146 S CB 0.108 63.401 63.200 0.154 0.000 0.894 146 S HN 0.511 nan 8.310 nan 0.000 0.491 147 Y N 2.101 122.513 120.300 0.188 0.000 2.393 147 Y HA 0.508 5.059 4.550 0.001 0.000 0.341 147 Y C 0.357 176.321 175.900 0.107 0.000 0.988 147 Y CA -0.540 57.597 58.100 0.063 0.000 1.078 147 Y CB 0.916 39.274 38.460 -0.170 0.000 1.203 147 Y HN 0.952 nan 8.280 nan 0.000 0.453 148 K N 2.667 122.863 120.400 -0.339 0.000 2.451 148 K HA 0.441 4.761 4.320 0.001 0.000 0.280 148 K C 1.049 177.672 176.600 0.039 0.000 1.020 148 K CA 0.315 56.515 56.287 -0.145 0.000 1.008 148 K CB -0.704 31.651 32.500 -0.240 0.000 0.917 148 K HN 1.706 nan 8.250 nan 0.000 0.478 149 G N 1.132 109.965 108.800 0.055 0.000 2.184 149 G HA2 -0.187 3.773 3.960 0.001 0.000 0.264 149 G HA3 -0.187 3.773 3.960 0.001 0.000 0.264 149 G C 0.209 175.087 174.900 -0.035 0.000 0.975 149 G CA 0.524 45.635 45.100 0.017 0.000 0.642 149 G HN 1.003 nan 8.290 nan 0.000 0.536 150 H N 0.094 119.242 119.070 0.130 0.000 2.679 150 H HA 0.409 4.965 4.556 0.001 0.000 0.367 150 H C -0.826 174.616 175.328 0.190 0.000 1.162 150 H CA -0.790 55.359 56.048 0.168 0.000 1.181 150 H CB 1.690 31.564 29.762 0.186 0.000 1.693 150 H HN 0.117 nan 8.280 nan 0.000 0.538 151 D N 0.509 121.107 120.400 0.329 0.000 2.389 151 D HA 0.089 4.730 4.640 0.001 0.000 0.247 151 D C -0.247 176.220 176.300 0.278 0.000 1.128 151 D CA 0.334 54.491 54.000 0.261 0.000 0.884 151 D CB 0.858 41.805 40.800 0.245 0.000 1.194 151 D HN 0.259 nan 8.370 nan 0.000 0.441 152 S N 0.856 116.663 115.700 0.179 0.000 2.217 152 S HA 0.149 4.620 4.470 0.001 0.000 0.168 152 S C 0.203 174.845 174.600 0.070 0.000 1.526 152 S CA -0.722 57.527 58.200 0.081 0.000 1.150 152 S CB 0.332 63.572 63.200 0.067 0.000 1.158 152 S HN 0.533 nan 8.310 nan 0.000 0.473 153 T N 0.963 115.583 114.554 0.111 0.000 2.900 153 T HA 0.228 4.578 4.350 0.001 0.000 0.307 153 T C 0.774 175.517 174.700 0.072 0.000 1.065 153 T CA -0.424 61.740 62.100 0.106 0.000 1.105 153 T CB 0.270 69.248 68.868 0.183 0.000 0.979 153 T HN 0.172 nan 8.240 nan 0.000 0.544 154 L N 2.697 123.941 121.223 0.036 0.000 2.640 154 L HA 0.395 4.736 4.340 0.001 0.000 0.230 154 L C 1.971 178.874 176.870 0.055 0.000 1.123 154 L CA 0.923 55.776 54.840 0.021 0.000 0.900 154 L CB -0.629 41.420 42.059 -0.016 0.000 1.146 154 L HN 1.204 nan 8.230 nan 0.000 0.484 155 G N -0.227 108.629 108.800 0.094 0.000 2.148 155 G HA2 -0.152 3.808 3.960 0.001 0.000 0.157 155 G HA3 -0.152 3.808 3.960 0.001 0.000 0.157 155 G C -0.460 174.442 174.900 0.002 0.000 1.012 155 G CA -0.521 44.634 45.100 0.092 0.000 0.677 155 G HN 0.066 nan 8.290 nan 0.000 0.506 156 L N 1.492 122.692 121.223 -0.038 0.000 2.406 156 L HA 0.635 4.975 4.340 0.001 0.000 0.272 156 L C 1.506 178.332 176.870 -0.074 0.000 0.980 156 L CA 0.177 54.942 54.840 -0.125 0.000 0.831 156 L CB 1.525 43.463 42.059 -0.203 0.000 1.253 156 L HN 0.097 nan 8.230 nan 0.000 0.406 157 S N 2.917 118.574 115.700 -0.071 0.000 2.402 157 S HA -0.140 4.331 4.470 0.001 0.000 0.229 157 S C 1.720 176.293 174.600 -0.044 0.000 1.021 157 S CA 0.618 58.790 58.200 -0.045 0.000 0.974 157 S CB -0.225 62.954 63.200 -0.035 0.000 0.800 157 S HN 0.578 nan 8.310 nan 0.000 0.484 158 L N 2.333 123.516 121.223 -0.066 0.000 2.137 158 L HA -0.178 4.162 4.340 0.001 0.000 0.213 158 L C 0.988 177.843 176.870 -0.025 0.000 1.085 158 L CA 1.650 56.459 54.840 -0.053 0.000 0.760 158 L CB -0.595 41.417 42.059 -0.078 0.000 0.893 158 L HN 0.340 nan 8.230 nan 0.000 0.434 159 N N -1.847 116.842 118.700 -0.018 0.000 2.203 159 N HA -0.040 4.700 4.740 0.001 0.000 0.207 159 N C 1.243 176.776 175.510 0.039 0.000 1.130 159 N CA 0.232 53.291 53.050 0.015 0.000 0.861 159 N CB 0.274 38.775 38.487 0.023 0.000 1.005 159 N HN 0.219 nan 8.380 nan 0.000 0.507 160 E N 1.624 121.838 120.200 0.023 0.000 2.208 160 E HA -0.037 4.313 4.350 0.001 0.000 0.193 160 E C 1.885 178.507 176.600 0.036 0.000 0.988 160 E CA 1.240 57.660 56.400 0.033 0.000 0.828 160 E CB -0.510 29.187 29.700 -0.004 0.000 0.763 160 E HN 0.293 nan 8.360 nan 0.000 0.478 161 G N 1.457 110.271 108.800 0.023 0.000 2.679 161 G HA2 -0.209 3.752 3.960 0.001 0.000 0.217 161 G HA3 -0.209 3.752 3.960 0.001 0.000 0.217 161 G C 0.912 175.832 174.900 0.033 0.000 1.267 161 G CA 1.733 46.846 45.100 0.022 0.000 0.799 161 G HN 0.397 nan 8.290 nan 0.000 0.606 162 M N 1.620 121.242 119.600 0.038 0.000 2.129 162 M HA 0.498 4.978 4.480 0.001 0.000 0.348 162 M C -2.905 173.431 176.300 0.060 0.000 1.116 162 M CA -3.504 51.820 55.300 0.040 0.000 1.022 162 M CB 1.180 33.799 32.600 0.031 0.000 1.599 162 M HN -0.058 nan 8.290 nan 0.000 0.449 163 P HA 0.215 nan 4.420 nan 0.000 0.272 163 P C -0.729 176.614 177.300 0.072 0.000 1.240 163 P CA -0.204 62.942 63.100 0.077 0.000 0.791 163 P CB 0.318 32.045 31.700 0.044 0.000 0.978 164 S N -1.373 114.385 115.700 0.097 0.000 2.537 164 S HA 0.401 4.872 4.470 0.001 0.000 0.275 164 S C 1.361 175.984 174.600 0.038 0.000 1.272 164 S CA -0.235 58.011 58.200 0.076 0.000 1.050 164 S CB 0.811 64.076 63.200 0.108 0.000 0.961 164 S HN 0.584 nan 8.310 nan 0.000 0.496 165 E N 1.387 121.599 120.200 0.019 0.000 2.208 165 E HA 0.115 4.465 4.350 0.001 0.000 0.193 165 E C 0.883 177.471 176.600 -0.019 0.000 0.988 165 E CA 1.055 57.454 56.400 -0.001 0.000 0.828 165 E CB -0.098 29.601 29.700 -0.002 0.000 0.763 165 E HN 0.650 nan 8.360 nan 0.000 0.478 166 S N -0.280 115.409 115.700 -0.018 0.000 2.549 166 S HA 0.450 4.920 4.470 0.001 0.000 0.280 166 S C -1.670 172.896 174.600 -0.057 0.000 1.109 166 S CA -0.809 57.366 58.200 -0.041 0.000 0.905 166 S CB 1.505 64.691 63.200 -0.023 0.000 1.081 166 S HN 0.290 nan 8.310 nan 0.000 0.477 167 D N 2.046 122.373 120.400 -0.121 0.000 2.455 167 D HA 0.167 4.807 4.640 0.001 0.000 0.241 167 D C 0.692 176.981 176.300 -0.017 0.000 1.138 167 D CA 0.024 53.949 54.000 -0.125 0.000 0.877 167 D CB 0.291 40.972 40.800 -0.197 0.000 1.187 167 D HN 0.666 nan 8.370 nan 0.000 0.451 168 C N 1.266 120.599 119.300 0.055 0.000 2.580 168 C HA 0.248 4.709 4.460 0.001 0.000 0.371 168 C C 2.087 177.125 174.990 0.080 0.000 1.308 168 C CA -0.838 58.233 59.018 0.089 0.000 2.428 168 C CB 0.230 28.063 27.740 0.156 0.000 2.529 168 C HN 0.493 nan 8.230 nan 0.000 0.657 169 V N 2.631 122.593 119.914 0.081 0.000 2.255 169 V HA -0.203 3.918 4.120 0.001 0.000 0.247 169 V C 2.644 178.782 176.094 0.074 0.000 1.051 169 V CA 2.771 65.110 62.300 0.066 0.000 1.018 169 V CB -0.973 30.890 31.823 0.068 0.000 0.641 169 V HN 1.009 nan 8.190 nan 0.000 0.445 170 V N -2.259 117.729 119.914 0.124 0.000 2.626 170 V HA -0.122 3.998 4.120 0.001 0.000 0.252 170 V C 2.197 178.329 176.094 0.062 0.000 1.067 170 V CA 1.671 64.034 62.300 0.104 0.000 1.081 170 V CB -0.728 31.192 31.823 0.160 0.000 0.686 170 V HN 0.292 nan 8.190 nan 0.000 0.468 171 V N 0.208 120.183 119.914 0.102 0.000 2.358 171 V HA -0.274 3.847 4.120 0.001 0.000 0.246 171 V C 2.853 178.966 176.094 0.031 0.000 1.047 171 V CA 2.516 64.863 62.300 0.078 0.000 1.035 171 V CB -0.736 31.188 31.823 0.168 0.000 0.658 171 V HN 0.560 nan 8.190 nan 0.000 0.452 172 Q N -0.700 119.108 119.800 0.012 0.000 2.135 172 Q HA -0.207 4.134 4.340 0.001 0.000 0.204 172 Q C 2.365 178.334 176.000 -0.052 0.000 0.981 172 Q CA 2.124 57.908 55.803 -0.032 0.000 0.856 172 Q CB -0.284 28.433 28.738 -0.034 0.000 0.902 172 Q HN 0.654 nan 8.270 nan 0.000 0.425 173 V N -0.763 119.133 119.914 -0.029 0.000 2.719 173 V HA -0.127 3.994 4.120 0.001 0.000 0.252 173 V C 1.808 177.884 176.094 -0.030 0.000 1.065 173 V CA 0.979 63.259 62.300 -0.033 0.000 1.086 173 V CB -0.246 31.571 31.823 -0.010 0.000 0.700 173 V HN 0.313 nan 8.190 nan 0.000 0.467 174 L N -0.064 121.140 121.223 -0.031 0.000 2.046 174 L HA -0.176 4.165 4.340 0.001 0.000 0.208 174 L C 2.790 179.636 176.870 -0.039 0.000 1.077 174 L CA 2.319 57.135 54.840 -0.040 0.000 0.747 174 L CB -0.536 41.493 42.059 -0.050 0.000 0.896 174 L HN 0.293 nan 8.230 nan 0.000 0.432 175 K N -0.034 120.344 120.400 -0.036 0.000 2.057 175 K HA -0.107 4.213 4.320 0.001 0.000 0.206 175 K C 2.002 178.570 176.600 -0.054 0.000 1.050 175 K CA 1.068 57.328 56.287 -0.044 0.000 0.935 175 K CB -0.123 32.353 32.500 -0.040 0.000 0.715 175 K HN 0.166 nan 8.250 nan 0.000 0.439 176 L N 0.442 121.615 121.223 -0.084 0.000 2.362 176 L HA -0.141 4.200 4.340 0.001 0.000 0.219 176 L C 1.838 178.699 176.870 -0.014 0.000 1.134 176 L CA 0.782 55.544 54.840 -0.130 0.000 0.807 176 L CB 0.066 41.904 42.059 -0.367 0.000 0.927 176 L HN 0.147 nan 8.230 nan 0.000 0.447 177 Q N -0.995 118.812 119.800 0.012 0.000 2.247 177 Q HA 0.181 4.522 4.340 0.001 0.000 0.204 177 Q C 1.147 177.168 176.000 0.035 0.000 0.872 177 Q CA 0.629 56.455 55.803 0.039 0.000 0.951 177 Q CB 0.778 29.528 28.738 0.019 0.000 1.099 177 Q HN 0.337 nan 8.270 nan 0.000 0.501 178 G N -0.962 107.854 108.800 0.026 0.000 2.339 178 G HA2 -0.233 3.727 3.960 0.001 0.000 0.209 178 G HA3 -0.233 3.727 3.960 0.001 0.000 0.209 178 G C 0.348 175.213 174.900 -0.058 0.000 1.015 178 G CA -0.221 44.906 45.100 0.046 0.000 0.635 178 G HN 0.588 nan 8.290 nan 0.000 0.499 179 A N -0.043 122.738 122.820 -0.066 0.000 2.406 179 A HA 0.617 4.937 4.320 0.001 0.000 0.243 179 A C 0.466 177.985 177.584 -0.108 0.000 1.082 179 A CA 0.813 52.788 52.037 -0.102 0.000 0.786 179 A CB 0.707 19.657 19.000 -0.084 0.000 1.029 179 A HN 1.344 nan 8.150 nan 0.000 0.495 180 V N 1.743 121.585 119.914 -0.119 0.000 2.289 180 V HA 0.286 4.407 4.120 0.001 0.000 0.272 180 V C -2.667 173.424 176.094 -0.004 0.000 1.026 180 V CA -1.665 60.566 62.300 -0.115 0.000 0.807 180 V CB 0.842 32.516 31.823 -0.249 0.000 1.044 180 V HN 0.690 nan 8.190 nan 0.000 0.443 181 P HA 0.079 nan 4.420 nan 0.000 0.260 181 P C 0.130 177.342 177.300 -0.146 0.000 1.207 181 P CA 0.284 63.336 63.100 -0.081 0.000 0.780 181 P CB 0.054 31.677 31.700 -0.128 0.000 0.789 182 F N 4.114 123.915 119.950 -0.248 0.000 2.752 182 F HA 0.325 4.853 4.527 0.001 0.000 0.310 182 F C -0.238 175.440 175.800 -0.203 0.000 1.097 182 F CA -0.299 57.595 58.000 -0.176 0.000 1.238 182 F CB 0.137 39.179 39.000 0.071 0.000 1.061 182 F HN 0.051 nan 8.300 nan 0.000 0.591 183 V N -1.331 118.091 119.914 -0.820 0.000 3.007 183 V HA 0.499 4.620 4.120 0.001 0.000 0.311 183 V C -1.097 174.730 176.094 -0.444 0.000 1.120 183 V CA -1.034 60.886 62.300 -0.633 0.000 0.980 183 V CB 1.248 32.631 31.823 -0.733 0.000 1.033 183 V HN 0.259 nan 8.190 nan 0.000 0.429 184 H N 1.483 120.325 119.070 -0.380 0.000 2.502 184 H HA 0.644 5.200 4.556 0.001 0.000 0.327 184 H C 0.226 175.393 175.328 -0.268 0.000 1.099 184 H CA 0.064 55.938 56.048 -0.290 0.000 1.323 184 H CB 1.674 31.292 29.762 -0.240 0.000 1.450 184 H HN 1.016 nan 8.280 nan 0.000 0.502 185 T N 0.827 115.318 114.554 -0.105 0.000 2.945 185 T HA 0.169 4.519 4.350 0.001 0.000 0.286 185 T C 0.226 174.832 174.700 -0.158 0.000 1.025 185 T CA -1.188 60.828 62.100 -0.141 0.000 1.039 185 T CB 1.580 70.383 68.868 -0.108 0.000 1.068 185 T HN 0.450 nan 8.240 nan 0.000 0.497 186 N N 0.420 119.033 118.700 -0.145 0.000 2.518 186 N HA 0.423 5.163 4.740 0.001 0.000 0.266 186 N C -0.369 175.110 175.510 -0.052 0.000 1.196 186 N CA -0.302 52.671 53.050 -0.127 0.000 0.947 186 N CB 0.658 39.094 38.487 -0.084 0.000 1.098 186 N HN 0.766 nan 8.380 nan 0.000 0.450 187 V N 0.875 120.774 119.914 -0.025 0.000 2.960 187 V HA 0.781 4.902 4.120 0.001 0.000 0.315 187 V C -2.498 173.626 176.094 0.050 0.000 1.087 187 V CA -2.198 60.111 62.300 0.014 0.000 0.982 187 V CB 1.834 33.661 31.823 0.007 0.000 1.039 187 V HN 0.612 nan 8.190 nan 0.000 0.437 188 P HA 0.092 nan 4.420 nan 0.000 0.272 188 P C 0.467 177.830 177.300 0.106 0.000 1.240 188 P CA 0.051 63.197 63.100 0.077 0.000 0.791 188 P CB 0.956 32.695 31.700 0.065 0.000 0.978 189 Q N 1.038 120.917 119.800 0.133 0.000 2.112 189 Q HA -0.169 4.171 4.340 0.001 0.000 0.206 189 Q C 1.530 177.596 176.000 0.109 0.000 0.987 189 Q CA 2.156 58.041 55.803 0.136 0.000 0.858 189 Q CB -0.323 28.528 28.738 0.188 0.000 0.905 189 Q HN 0.339 nan 8.270 nan 0.000 0.420 190 S N -1.458 114.372 115.700 0.218 0.000 2.539 190 S HA 0.251 4.721 4.470 0.001 0.000 0.221 190 S C 0.578 175.299 174.600 0.201 0.000 0.987 190 S CA 0.354 58.688 58.200 0.223 0.000 0.929 190 S CB 0.105 63.613 63.200 0.514 0.000 0.832 190 S HN 0.545 nan 8.310 nan 0.000 0.492 191 M N -1.073 118.613 119.600 0.143 0.000 2.852 191 M HA -0.236 4.245 4.480 0.001 0.000 0.165 191 M C 0.007 176.379 176.300 0.119 0.000 0.671 191 M CA 0.709 56.072 55.300 0.105 0.000 0.627 191 M CB -1.279 31.350 32.600 0.048 0.000 2.280 191 M HN 0.244 nan 8.290 nan 0.000 0.278 192 L N 1.738 123.072 121.223 0.184 0.000 2.583 192 L HA 0.488 4.828 4.340 0.001 0.000 0.239 192 L C 0.286 177.241 176.870 0.143 0.000 1.347 192 L CA 0.652 55.563 54.840 0.118 0.000 1.246 192 L CB 0.249 42.310 42.059 0.003 0.000 1.496 192 L HN 0.267 nan 8.230 nan 0.000 0.413 193 S N 0.695 116.470 115.700 0.124 0.000 2.556 193 S HA 0.323 4.794 4.470 0.001 0.000 0.280 193 S C -0.092 174.571 174.600 0.106 0.000 1.141 193 S CA -0.666 57.588 58.200 0.091 0.000 0.883 193 S CB 0.430 63.666 63.200 0.060 0.000 1.103 193 S HN 0.298 nan 8.310 nan 0.000 0.453 194 F N 1.549 121.407 119.950 -0.154 0.000 2.639 194 F HA 0.558 5.085 4.527 0.001 0.000 0.300 194 F C 0.379 176.042 175.800 -0.229 0.000 1.109 194 F CA -0.658 57.180 58.000 -0.270 0.000 1.335 194 F CB 0.070 38.664 39.000 -0.677 0.000 1.014 194 F HN 0.450 nan 8.300 nan 0.000 0.537 195 D N 0.289 120.514 120.400 -0.293 0.000 2.511 195 D HA 0.267 4.908 4.640 0.001 0.000 0.276 195 D C -0.787 175.479 176.300 -0.057 0.000 1.220 195 D CA -0.333 53.553 54.000 -0.191 0.000 1.077 195 D CB 2.147 42.835 40.800 -0.186 0.000 1.126 195 D HN 0.227 nan 8.370 nan 0.000 0.583 196 C N 1.056 120.343 119.300 -0.021 0.000 2.789 196 C HA 0.609 5.069 4.460 0.001 0.000 0.324 196 C C -0.967 174.037 174.990 0.024 0.000 1.042 196 C CA -0.168 58.858 59.018 0.013 0.000 1.396 196 C CB -0.997 26.757 27.740 0.023 0.000 1.870 196 C HN 0.387 nan 8.230 nan 0.000 0.470 197 S N 4.438 120.161 115.700 0.039 0.000 2.560 197 S HA 0.688 5.158 4.470 0.001 0.000 0.283 197 S C -1.804 172.842 174.600 0.077 0.000 1.141 197 S CA -0.501 57.729 58.200 0.051 0.000 0.902 197 S CB 0.960 64.177 63.200 0.028 0.000 1.104 197 S HN 0.984 nan 8.310 nan 0.000 0.454 198 N N 3.225 121.981 118.700 0.094 0.000 2.484 198 N HA 0.432 5.172 4.740 0.001 0.000 0.269 198 N C -2.976 172.578 175.510 0.072 0.000 1.237 198 N CA -1.361 51.753 53.050 0.107 0.000 0.838 198 N CB 1.274 39.850 38.487 0.149 0.000 1.593 198 N HN 0.231 nan 8.380 nan 0.000 0.485 199 P HA -0.050 nan 4.420 nan 0.000 0.218 199 P C 1.470 178.728 177.300 -0.069 0.000 1.148 199 P CA 0.700 63.798 63.100 -0.003 0.000 0.822 199 P CB 0.363 32.113 31.700 0.083 0.000 0.784 200 L N -2.808 118.346 121.223 -0.116 0.000 2.072 200 L HA -0.009 4.332 4.340 0.001 0.000 0.205 200 L C 1.864 178.399 176.870 -0.559 0.000 1.079 200 L CA 1.876 56.473 54.840 -0.405 0.000 0.752 200 L CB -1.308 40.383 42.059 -0.614 0.000 0.906 200 L HN -0.017 nan 8.230 nan 0.000 0.436 201 F N -1.962 117.995 119.950 0.012 0.000 2.778 201 F HA 0.528 5.056 4.527 0.001 0.000 0.314 201 F C 1.373 177.171 175.800 -0.003 0.000 1.073 201 F CA 0.325 58.330 58.000 0.008 0.000 1.218 201 F CB 0.170 39.178 39.000 0.014 0.000 1.037 201 F HN 0.079 nan 8.300 nan 0.000 0.594 202 G N 0.926 109.814 108.800 0.145 0.000 2.526 202 G HA2 -0.170 3.790 3.960 0.001 0.000 0.250 202 G HA3 -0.170 3.790 3.960 0.001 0.000 0.250 202 G C -1.102 173.840 174.900 0.070 0.000 1.289 202 G CA -0.914 44.231 45.100 0.074 0.000 0.947 202 G HN 0.201 nan 8.290 nan 0.000 0.517 203 Q N 0.065 119.888 119.800 0.039 0.000 2.274 203 Q HA 0.591 4.931 4.340 0.001 0.000 0.256 203 Q C 0.116 176.131 176.000 0.025 0.000 0.927 203 Q CA -0.183 55.637 55.803 0.028 0.000 0.939 203 Q CB 0.684 29.430 28.738 0.013 0.000 1.201 203 Q HN 0.643 nan 8.270 nan 0.000 0.426 204 T N 4.673 119.243 114.554 0.027 0.000 2.869 204 T HA 0.338 4.688 4.350 0.001 0.000 0.295 204 T C -0.159 174.558 174.700 0.029 0.000 0.987 204 T CA -0.077 62.036 62.100 0.022 0.000 1.109 204 T CB 0.463 69.344 68.868 0.021 0.000 0.932 204 T HN 0.563 nan 8.240 nan 0.000 0.518 205 M N 2.991 122.606 119.600 0.026 0.000 2.537 205 M HA 0.316 4.797 4.480 0.001 0.000 0.324 205 M C 0.619 176.956 176.300 0.062 0.000 1.187 205 M CA -0.753 54.569 55.300 0.038 0.000 0.993 205 M CB 1.237 33.848 32.600 0.019 0.000 1.666 205 M HN 0.456 nan 8.290 nan 0.000 0.461 206 N N 3.180 121.937 118.700 0.096 0.000 2.483 206 N HA 0.095 4.836 4.740 0.001 0.000 0.264 206 N C -1.879 173.700 175.510 0.114 0.000 1.197 206 N CA -0.910 52.229 53.050 0.149 0.000 0.927 206 N CB 1.151 39.753 38.487 0.192 0.000 1.065 206 N HN 0.386 nan 8.380 nan 0.000 0.461 207 P HA -0.065 nan 4.420 nan 0.000 0.221 207 P C 0.879 178.136 177.300 -0.071 0.000 1.150 207 P CA 1.126 64.201 63.100 -0.042 0.000 0.800 207 P CB 0.018 31.632 31.700 -0.143 0.000 0.787 208 W N 1.165 122.475 121.300 0.017 0.000 2.436 208 W HA 0.080 4.741 4.660 0.001 0.000 0.284 208 W C 1.207 177.725 176.519 -0.002 0.000 1.225 208 W CA 0.665 58.014 57.345 0.008 0.000 1.271 208 W CB -0.053 29.412 29.460 0.008 0.000 1.114 208 W HN -0.078 nan 8.180 nan 0.000 0.559 209 K N -0.867 119.662 120.400 0.216 0.000 2.571 209 K HA 0.180 4.500 4.320 0.001 0.000 0.252 209 K C 0.064 176.711 176.600 0.079 0.000 0.956 209 K CA -0.227 56.131 56.287 0.119 0.000 0.822 209 K CB 1.351 33.912 32.500 0.102 0.000 1.286 209 K HN -0.361 nan 8.250 nan 0.000 0.439 210 S N 0.705 116.432 115.700 0.045 0.000 2.562 210 S HA -0.074 4.396 4.470 0.001 0.000 0.221 210 S C 1.187 175.799 174.600 0.020 0.000 0.975 210 S CA 0.850 59.066 58.200 0.027 0.000 0.918 210 S CB 0.049 63.255 63.200 0.010 0.000 0.772 210 S HN 0.700 nan 8.310 nan 0.000 0.531 211 S N 0.380 116.092 115.700 0.019 0.000 2.575 211 S HA 0.254 4.725 4.470 0.001 0.000 0.215 211 S C 0.415 175.019 174.600 0.007 0.000 0.966 211 S CA -0.256 57.949 58.200 0.007 0.000 0.911 211 S CB 0.193 63.393 63.200 -0.000 0.000 0.780 211 S HN 0.044 nan 8.310 nan 0.000 0.514 212 K N 1.714 122.128 120.400 0.023 0.000 2.208 212 K HA 0.466 4.786 4.320 0.001 0.000 0.247 212 K C -0.269 176.371 176.600 0.065 0.000 0.953 212 K CA -0.432 55.870 56.287 0.025 0.000 0.837 212 K CB 1.773 34.282 32.500 0.015 0.000 1.131 212 K HN 0.179 nan 8.250 nan 0.000 0.431 213 S N 1.977 117.732 115.700 0.091 0.000 2.576 213 S HA 0.178 4.649 4.470 0.001 0.000 0.276 213 S C -1.771 172.993 174.600 0.274 0.000 1.339 213 S CA -1.026 57.269 58.200 0.157 0.000 1.039 213 S CB 0.366 63.672 63.200 0.177 0.000 0.902 213 S HN 0.324 nan 8.310 nan 0.000 0.516 214 P HA 0.265 nan 4.420 nan 0.000 0.253 214 P C 0.702 178.119 177.300 0.195 0.000 1.459 214 P CA 0.308 63.553 63.100 0.241 0.000 0.908 214 P CB -0.780 31.006 31.700 0.143 0.000 1.470 215 G N -0.689 108.210 108.800 0.165 0.000 2.750 215 G HA2 0.161 4.122 3.960 0.001 0.000 0.228 215 G HA3 0.161 4.122 3.960 0.001 0.000 0.228 215 G C -0.295 174.571 174.900 -0.057 0.000 1.367 215 G CA -0.595 44.373 45.100 -0.220 0.000 0.871 215 G HN 0.642 nan 8.290 nan 0.000 0.560 216 G N -2.699 106.086 108.800 -0.024 0.000 2.559 216 G HA2 0.741 4.701 3.960 0.001 0.000 0.291 216 G HA3 0.741 4.701 3.960 0.001 0.000 0.291 216 G C 0.696 175.679 174.900 0.138 0.000 1.424 216 G CA 0.848 45.978 45.100 0.050 0.000 0.786 216 G HN 2.102 nan 8.290 nan 0.000 0.485 217 S N -1.314 114.460 115.700 0.123 0.000 2.528 217 S HA 0.078 4.548 4.470 0.001 0.000 0.219 217 S C 1.174 175.809 174.600 0.060 0.000 0.985 217 S CA 0.932 59.179 58.200 0.078 0.000 0.914 217 S CB 0.120 63.365 63.200 0.074 0.000 0.776 217 S HN 0.631 nan 8.310 nan 0.000 0.526 218 S N 1.796 117.536 115.700 0.067 0.000 3.324 218 S HA 0.413 4.883 4.470 0.001 0.000 0.229 218 S C 1.329 175.956 174.600 0.045 0.000 1.417 218 S CA -0.170 58.065 58.200 0.057 0.000 1.211 218 S CB 0.079 63.322 63.200 0.073 0.000 1.157 218 S HN 0.637 nan 8.310 nan 0.000 0.491 219 G N 1.893 110.716 108.800 0.039 0.000 2.426 219 G HA2 0.069 4.030 3.960 0.001 0.000 0.214 219 G HA3 0.069 4.030 3.960 0.001 0.000 0.214 219 G C 1.353 176.274 174.900 0.036 0.000 1.156 219 G CA 0.325 45.450 45.100 0.042 0.000 0.802 219 G HN 0.604 nan 8.290 nan 0.000 0.534 220 G N 0.936 109.743 108.800 0.011 0.000 2.469 220 G HA2 -0.190 3.771 3.960 0.001 0.000 0.220 220 G HA3 -0.190 3.771 3.960 0.001 0.000 0.220 220 G C 1.618 176.509 174.900 -0.015 0.000 1.136 220 G CA 1.156 46.248 45.100 -0.014 0.000 0.759 220 G HN 0.343 nan 8.290 nan 0.000 0.562 221 E N 0.577 120.775 120.200 -0.005 0.000 2.085 221 E HA -0.099 4.251 4.350 0.001 0.000 0.194 221 E C 2.763 179.381 176.600 0.029 0.000 0.994 221 E CA 1.218 57.618 56.400 0.001 0.000 0.801 221 E CB -0.852 28.853 29.700 0.008 0.000 0.743 221 E HN 0.388 nan 8.360 nan 0.000 0.453 222 G N 0.817 109.650 108.800 0.054 0.000 2.394 222 G HA2 -0.120 3.841 3.960 0.001 0.000 0.215 222 G HA3 -0.120 3.841 3.960 0.001 0.000 0.215 222 G C 1.707 176.668 174.900 0.103 0.000 1.165 222 G CA 0.947 46.102 45.100 0.092 0.000 0.784 222 G HN 0.380 nan 8.290 nan 0.000 0.535 223 A N -0.075 122.793 122.820 0.080 0.000 2.067 223 A HA 0.171 4.491 4.320 0.001 0.000 0.219 223 A C 2.240 179.843 177.584 0.032 0.000 1.158 223 A CA 1.262 53.336 52.037 0.061 0.000 0.661 223 A CB -0.218 18.808 19.000 0.044 0.000 0.801 223 A HN 0.357 nan 8.150 nan 0.000 0.452 224 L N -0.465 120.776 121.223 0.031 0.000 2.084 224 L HA 0.118 4.458 4.340 0.001 0.000 0.202 224 L C 2.222 179.131 176.870 0.065 0.000 1.074 224 L CA 1.481 56.343 54.840 0.036 0.000 0.757 224 L CB -0.559 41.508 42.059 0.013 0.000 0.918 224 L HN 0.388 nan 8.230 nan 0.000 0.444 225 I N -0.282 120.328 120.570 0.066 0.000 2.163 225 I HA -0.092 4.079 4.170 0.001 0.000 0.240 225 I C 1.310 177.476 176.117 0.082 0.000 1.081 225 I CA 0.849 62.197 61.300 0.080 0.000 1.353 225 I CB -0.917 37.121 38.000 0.063 0.000 1.054 225 I HN 0.329 nan 8.210 nan 0.000 0.407 226 G N 0.050 108.905 108.800 0.092 0.000 2.365 226 G HA2 0.273 4.234 3.960 0.001 0.000 0.249 226 G HA3 0.273 4.234 3.960 0.001 0.000 0.249 226 G C 0.782 175.674 174.900 -0.014 0.000 1.288 226 G CA 0.403 45.553 45.100 0.083 0.000 0.887 226 G HN 0.597 nan 8.290 nan 0.000 0.524 227 S N 0.143 115.774 115.700 -0.115 0.000 3.084 227 S HA -0.132 4.339 4.470 0.001 0.000 0.277 227 S C 1.910 176.487 174.600 -0.039 0.000 1.295 227 S CA 1.270 59.394 58.200 -0.127 0.000 1.170 227 S CB -1.602 61.511 63.200 -0.145 0.000 1.412 227 S HN 2.959 nan 8.310 nan 0.000 0.669 228 G N 0.039 108.852 108.800 0.020 0.000 2.159 228 G HA2 -0.032 3.928 3.960 0.001 0.000 0.256 228 G HA3 -0.032 3.928 3.960 0.001 0.000 0.256 228 G C 1.299 176.295 174.900 0.160 0.000 0.977 228 G CA 0.806 45.947 45.100 0.068 0.000 0.652 228 G HN 1.973 nan 8.290 nan 0.000 0.531 229 G N -0.687 108.216 108.800 0.172 0.000 2.920 229 G HA2 0.443 4.403 3.960 0.001 0.000 0.208 229 G HA3 0.443 4.403 3.960 0.001 0.000 0.208 229 G C 0.453 175.628 174.900 0.458 0.000 1.159 229 G CA 1.545 46.803 45.100 0.262 0.000 0.784 229 G HN 1.622 nan 8.290 nan 0.000 0.535 230 S N -0.824 115.093 115.700 0.360 0.000 2.543 230 S HA 0.517 4.987 4.470 0.001 0.000 0.273 230 S C -2.332 172.237 174.600 -0.053 0.000 1.152 230 S CA -0.855 57.415 58.200 0.116 0.000 0.910 230 S CB 2.278 65.608 63.200 0.217 0.000 1.105 230 S HN -0.117 nan 8.310 nan 0.000 0.465 231 P HA 0.223 nan 4.420 nan 0.000 0.219 231 P C -0.090 177.149 177.300 -0.102 0.000 1.154 231 P CA 0.376 63.348 63.100 -0.213 0.000 0.826 231 P CB 0.136 31.617 31.700 -0.365 0.000 0.795 232 L N -1.266 119.892 121.223 -0.110 0.000 2.472 232 L HA 0.801 5.141 4.340 0.001 0.000 0.260 232 L C -0.764 176.068 176.870 -0.064 0.000 0.963 232 L CA -0.675 54.118 54.840 -0.078 0.000 0.829 232 L CB 2.058 44.057 42.059 -0.098 0.000 1.348 232 L HN 0.001 nan 8.230 nan 0.000 0.408 233 G N 2.991 111.749 108.800 -0.071 0.000 2.642 233 G HA2 0.674 4.634 3.960 0.001 0.000 0.293 233 G HA3 0.674 4.634 3.960 0.001 0.000 0.293 233 G C -2.264 172.548 174.900 -0.147 0.000 1.341 233 G CA -0.635 44.403 45.100 -0.102 0.000 0.916 233 G HN 0.479 nan 8.290 nan 0.000 0.474 234 L N 0.530 121.600 121.223 -0.255 0.000 2.341 234 L HA 0.796 5.136 4.340 0.001 0.000 0.278 234 L C 0.700 177.439 176.870 -0.218 0.000 1.005 234 L CA -0.117 54.507 54.840 -0.359 0.000 0.818 234 L CB 1.840 43.427 42.059 -0.787 0.000 1.259 234 L HN 0.816 nan 8.230 nan 0.000 0.418 235 G N 0.291 109.127 108.800 0.059 0.000 2.714 235 G HA2 0.732 4.693 3.960 0.001 0.000 0.292 235 G HA3 0.732 4.693 3.960 0.001 0.000 0.292 235 G C -0.913 174.193 174.900 0.342 0.000 1.308 235 G CA -0.270 44.985 45.100 0.259 0.000 0.964 235 G HN 0.544 nan 8.290 nan 0.000 0.484 236 T N -1.961 112.725 114.554 0.221 0.000 2.940 236 T HA 0.708 5.059 4.350 0.001 0.000 0.288 236 T C -1.432 173.302 174.700 0.056 0.000 1.045 236 T CA -0.752 61.407 62.100 0.097 0.000 1.018 236 T CB 2.554 71.411 68.868 -0.019 0.000 1.151 236 T HN 0.425 nan 8.240 nan 0.000 0.529 237 D N 0.635 121.051 120.400 0.027 0.000 2.591 237 D HA 0.265 4.906 4.640 0.001 0.000 0.222 237 D C -0.405 175.889 176.300 -0.009 0.000 1.360 237 D CA -0.433 53.574 54.000 0.012 0.000 0.967 237 D CB 1.768 42.572 40.800 0.006 0.000 1.456 237 D HN 0.631 nan 8.370 nan 0.000 0.588 238 I N 1.709 122.268 120.570 -0.019 0.000 4.227 238 I HA 0.275 4.446 4.170 0.001 0.000 0.334 238 I C 1.099 177.184 176.117 -0.053 0.000 1.341 238 I CA 0.235 61.508 61.300 -0.045 0.000 1.123 238 I CB 0.822 38.781 38.000 -0.069 0.000 1.097 238 I HN 0.469 nan 8.210 nan 0.000 0.399 239 G N -0.588 108.197 108.800 -0.026 0.000 3.531 239 G HA2 0.313 4.273 3.960 0.001 0.000 0.212 239 G HA3 0.313 4.273 3.960 0.001 0.000 0.212 239 G C 0.805 175.700 174.900 -0.009 0.000 1.146 239 G CA 0.609 45.697 45.100 -0.020 0.000 0.916 239 G HN 0.339 nan 8.290 nan 0.000 0.637 240 G N -0.023 108.752 108.800 -0.042 0.000 3.268 240 G HA2 -0.069 3.891 3.960 0.001 0.000 0.220 240 G HA3 -0.069 3.891 3.960 0.001 0.000 0.220 240 G C 0.888 175.712 174.900 -0.127 0.000 0.942 240 G CA 0.679 45.592 45.100 -0.311 0.000 0.918 240 G HN 0.209 nan 8.290 nan 0.000 0.658 241 S N -0.101 115.634 115.700 0.059 0.000 2.515 241 S HA 0.205 4.675 4.470 0.001 0.000 0.231 241 S C 2.126 176.765 174.600 0.066 0.000 0.987 241 S CA 0.817 59.093 58.200 0.127 0.000 0.936 241 S CB -0.046 63.214 63.200 0.100 0.000 0.766 241 S HN 0.498 nan 8.310 nan 0.000 0.528 242 I N 0.331 120.908 120.570 0.012 0.000 2.731 242 I HA 0.025 4.196 4.170 0.001 0.000 0.260 242 I C 2.402 178.499 176.117 -0.033 0.000 1.138 242 I CA 0.629 61.933 61.300 0.007 0.000 1.461 242 I CB 0.014 38.021 38.000 0.012 0.000 1.128 242 I HN 0.098 nan 8.210 nan 0.000 0.438 243 R N -0.046 120.380 120.500 -0.123 0.000 2.093 243 R HA -0.012 4.328 4.340 0.001 0.000 0.224 243 R C 2.206 178.378 176.300 -0.213 0.000 1.101 243 R CA 1.092 57.081 56.100 -0.186 0.000 0.979 243 R CB -0.274 29.863 30.300 -0.271 0.000 0.877 243 R HN 0.116 nan 8.270 nan 0.000 0.441 244 F N 0.977 120.842 119.950 -0.142 0.000 2.043 244 F HA -0.129 4.399 4.527 0.001 0.000 0.297 244 F C -0.574 175.003 175.800 -0.370 0.000 1.121 244 F CA 1.236 59.018 58.000 -0.364 0.000 1.199 244 F CB -1.561 37.151 39.000 -0.480 0.000 0.968 244 F HN 0.019 nan 8.300 nan 0.000 0.478 245 P HA 0.007 nan 4.420 nan 0.000 0.231 245 P C 1.419 178.783 177.300 0.106 0.000 1.168 245 P CA 1.218 64.343 63.100 0.042 0.000 0.779 245 P CB 0.037 31.767 31.700 0.050 0.000 0.844 246 S N 0.503 116.246 115.700 0.073 0.000 2.348 246 S HA -0.153 4.317 4.470 0.001 0.000 0.221 246 S C 2.133 176.809 174.600 0.127 0.000 1.033 246 S CA 1.490 59.739 58.200 0.082 0.000 1.010 246 S CB -1.276 61.945 63.200 0.036 0.000 0.891 246 S HN 0.151 nan 8.310 nan 0.000 0.442 247 A N 1.015 123.926 122.820 0.151 0.000 1.908 247 A HA -0.057 4.263 4.320 0.001 0.000 0.218 247 A C 1.854 179.643 177.584 0.342 0.000 1.181 247 A CA 1.486 53.664 52.037 0.235 0.000 0.627 247 A CB -0.741 18.448 19.000 0.314 0.000 0.818 247 A HN 0.443 nan 8.150 nan 0.000 0.445 248 F N -1.222 118.784 119.950 0.093 0.000 2.335 248 F HA 0.011 4.538 4.527 0.001 0.000 0.296 248 F C 2.221 178.066 175.800 0.074 0.000 1.091 248 F CA 0.030 58.078 58.000 0.081 0.000 1.399 248 F CB -0.603 38.480 39.000 0.137 0.000 1.067 248 F HN 0.232 nan 8.300 nan 0.000 0.520 249 C N -0.854 118.650 119.300 0.341 0.000 3.038 249 C HA 0.561 5.021 4.460 0.001 0.000 0.279 249 C C 1.505 176.771 174.990 0.459 0.000 1.276 249 C CA 0.115 59.386 59.018 0.421 0.000 1.697 249 C CB -0.677 27.267 27.740 0.341 0.000 2.032 249 C HN 0.665 nan 8.230 nan 0.000 0.636 250 G N 2.283 111.224 108.800 0.234 0.000 2.291 250 G HA2 -0.196 3.765 3.960 0.001 0.000 0.271 250 G HA3 -0.196 3.765 3.960 0.001 0.000 0.271 250 G C -0.352 174.663 174.900 0.192 0.000 1.099 250 G CA 0.581 45.781 45.100 0.166 0.000 0.919 250 G HN 0.763 nan 8.290 nan 0.000 0.496 251 I N -3.766 116.894 120.570 0.149 0.000 3.445 251 I HA 0.889 5.059 4.170 0.001 0.000 0.303 251 I C 0.244 176.404 176.117 0.072 0.000 1.129 251 I CA -1.734 59.634 61.300 0.113 0.000 0.989 251 I CB 1.811 39.879 38.000 0.114 0.000 1.314 251 I HN 0.078 nan 8.210 nan 0.000 0.488 252 C N 1.375 120.707 119.300 0.053 0.000 2.382 252 C HA 0.935 5.396 4.460 0.001 0.000 0.327 252 C C 0.376 175.380 174.990 0.023 0.000 1.250 252 C CA -0.279 58.758 59.018 0.031 0.000 1.707 252 C CB 0.142 27.898 27.740 0.027 0.000 2.272 252 C HN 1.004 nan 8.230 nan 0.000 0.506 253 G N 1.944 110.752 108.800 0.014 0.000 2.719 253 G HA2 0.633 4.593 3.960 0.001 0.000 0.298 253 G HA3 0.633 4.593 3.960 0.001 0.000 0.298 253 G C -2.008 172.896 174.900 0.006 0.000 1.411 253 G CA -0.338 44.767 45.100 0.009 0.000 0.991 253 G HN 0.641 nan 8.290 nan 0.000 0.509 254 L N 1.046 122.275 121.223 0.010 0.000 2.356 254 L HA 0.654 4.994 4.340 0.001 0.000 0.277 254 L C -0.022 176.861 176.870 0.022 0.000 0.996 254 L CA -0.873 53.978 54.840 0.017 0.000 0.822 254 L CB 1.750 43.825 42.059 0.026 0.000 1.256 254 L HN 0.432 nan 8.230 nan 0.000 0.413 255 K N 7.051 127.461 120.400 0.016 0.000 2.266 255 K HA 0.457 4.778 4.320 0.001 0.000 0.274 255 K C -2.502 174.113 176.600 0.026 0.000 1.090 255 K CA -1.710 54.590 56.287 0.022 0.000 0.925 255 K CB 0.829 33.334 32.500 0.009 0.000 1.225 255 K HN 0.383 nan 8.250 nan 0.000 0.458 256 P HA 0.020 nan 4.420 nan 0.000 0.273 256 P C -0.735 176.556 177.300 -0.015 0.000 1.250 256 P CA -0.268 62.850 63.100 0.030 0.000 0.793 256 P CB 0.372 32.113 31.700 0.068 0.000 1.011 257 T N 0.898 115.399 114.554 -0.088 0.000 2.923 257 T HA 0.013 4.364 4.350 0.001 0.000 0.304 257 T C 1.931 176.539 174.700 -0.154 0.000 1.044 257 T CA 0.852 62.807 62.100 -0.241 0.000 1.141 257 T CB -0.102 68.388 68.868 -0.630 0.000 1.023 257 T HN 0.615 nan 8.240 nan 0.000 0.533 258 G N 2.153 110.871 108.800 -0.137 0.000 2.503 258 G HA2 -0.303 3.658 3.960 0.001 0.000 0.221 258 G HA3 -0.303 3.658 3.960 0.001 0.000 0.221 258 G C 1.156 176.078 174.900 0.036 0.000 1.131 258 G CA 0.673 45.751 45.100 -0.037 0.000 0.756 258 G HN 0.813 nan 8.290 nan 0.000 0.572 259 N N -0.656 118.082 118.700 0.063 0.000 2.235 259 N HA 0.067 4.807 4.740 0.001 0.000 0.209 259 N C 1.970 177.722 175.510 0.404 0.000 1.122 259 N CA -0.344 52.855 53.050 0.249 0.000 0.845 259 N CB 0.132 38.831 38.487 0.353 0.000 1.004 259 N HN 0.046 nan 8.380 nan 0.000 0.499 260 R N 0.282 120.994 120.500 0.355 0.000 2.092 260 R HA 0.165 4.506 4.340 0.001 0.000 0.231 260 R C 0.400 176.883 176.300 0.306 0.000 1.119 260 R CA 1.129 57.476 56.100 0.411 0.000 0.970 260 R CB 0.014 30.503 30.300 0.316 0.000 0.864 260 R HN 0.167 nan 8.270 nan 0.000 0.440 261 L N -1.240 120.119 121.223 0.228 0.000 2.298 261 L HA 0.399 4.739 4.340 0.001 0.000 0.268 261 L C 0.029 177.006 176.870 0.178 0.000 1.010 261 L CA -1.076 53.880 54.840 0.194 0.000 0.812 261 L CB 1.662 43.816 42.059 0.158 0.000 1.331 261 L HN -0.084 nan 8.230 nan 0.000 0.450 262 S N -0.158 115.636 115.700 0.157 0.000 2.562 262 S HA 0.274 4.745 4.470 0.001 0.000 0.275 262 S C -0.084 174.590 174.600 0.123 0.000 1.281 262 S CA -0.545 57.737 58.200 0.137 0.000 1.045 262 S CB 0.452 63.725 63.200 0.122 0.000 0.962 262 S HN 0.611 nan 8.310 nan 0.000 0.503 263 K N 2.828 123.285 120.400 0.096 0.000 2.896 263 K HA 0.249 4.569 4.320 0.001 0.000 0.210 263 K C 0.920 177.555 176.600 0.058 0.000 1.116 263 K CA -0.303 56.020 56.287 0.060 0.000 1.050 263 K CB 0.437 32.960 32.500 0.039 0.000 0.812 263 K HN 0.406 nan 8.250 nan 0.000 0.462 264 S N 0.594 116.335 115.700 0.069 0.000 2.453 264 S HA -0.015 4.455 4.470 0.001 0.000 0.231 264 S C 1.339 175.968 174.600 0.048 0.000 1.005 264 S CA 1.010 59.245 58.200 0.058 0.000 0.949 264 S CB 0.052 63.288 63.200 0.058 0.000 0.774 264 S HN 0.592 nan 8.310 nan 0.000 0.510 265 G N 0.792 109.624 108.800 0.053 0.000 4.100 265 G HA2 0.450 4.410 3.960 0.001 0.000 0.294 265 G HA3 0.450 4.410 3.960 0.001 0.000 0.294 265 G C -0.673 174.249 174.900 0.036 0.000 1.040 265 G CA -0.361 44.770 45.100 0.052 0.000 0.829 265 G HN 0.296 nan 8.290 nan 0.000 0.505 266 L N 0.925 122.148 121.223 -0.001 0.000 2.290 266 L HA 0.432 4.772 4.340 0.001 0.000 0.284 266 L C 0.359 177.241 176.870 0.020 0.000 1.078 266 L CA -0.553 54.230 54.840 -0.095 0.000 0.815 266 L CB 1.503 43.441 42.059 -0.202 0.000 1.162 266 L HN -0.062 nan 8.230 nan 0.000 0.435 267 K N 1.864 122.261 120.400 -0.004 0.000 2.349 267 K HA 0.533 4.853 4.320 0.001 0.000 0.288 267 K C 0.126 176.701 176.600 -0.041 0.000 1.058 267 K CA 0.075 56.405 56.287 0.071 0.000 0.953 267 K CB 0.580 33.109 32.500 0.049 0.000 0.997 267 K HN 0.737 nan 8.250 nan 0.000 0.477 268 G N 1.246 109.964 108.800 -0.137 0.000 2.597 268 G HA2 0.275 4.236 3.960 0.001 0.000 0.317 268 G HA3 0.275 4.236 3.960 0.001 0.000 0.317 268 G C 0.568 175.217 174.900 -0.419 0.000 1.230 268 G CA -0.549 44.311 45.100 -0.399 0.000 0.996 268 G HN 0.887 nan 8.290 nan 0.000 0.490 269 C N -1.312 117.821 119.300 -0.279 0.000 2.791 269 C HA 0.514 4.974 4.460 0.001 0.000 0.288 269 C C 0.949 175.870 174.990 -0.115 0.000 1.271 269 C CA 0.288 59.225 59.018 -0.134 0.000 1.726 269 C CB -1.173 26.550 27.740 -0.030 0.000 2.145 269 C HN 0.761 nan 8.230 nan 0.000 0.572 270 V N -0.970 118.828 119.914 -0.195 0.000 2.769 270 V HA 0.799 4.919 4.120 0.001 0.000 0.312 270 V C -1.489 174.389 176.094 -0.360 0.000 1.061 270 V CA -0.734 61.493 62.300 -0.123 0.000 0.931 270 V CB 1.482 33.350 31.823 0.075 0.000 1.010 270 V HN 0.381 nan 8.190 nan 0.000 0.433 271 Y N 2.083 122.416 120.300 0.055 0.000 2.536 271 Y HA 0.785 5.336 4.550 0.001 0.000 0.347 271 Y C 1.148 177.072 175.900 0.039 0.000 1.000 271 Y CA 0.084 58.206 58.100 0.037 0.000 1.051 271 Y CB 2.467 40.946 38.460 0.031 0.000 1.259 271 Y HN 1.198 nan 8.280 nan 0.000 0.468 272 G N 0.814 109.738 108.800 0.206 0.000 2.179 272 G HA2 -0.258 3.702 3.960 0.001 0.000 0.260 272 G HA3 -0.258 3.702 3.960 0.001 0.000 0.260 272 G C 0.132 175.088 174.900 0.093 0.000 0.977 272 G CA -0.262 44.918 45.100 0.134 0.000 0.641 272 G HN 0.492 nan 8.290 nan 0.000 0.533 273 Q N 1.260 121.101 119.800 0.069 0.000 2.263 273 Q HA 0.320 4.660 4.340 0.001 0.000 0.270 273 Q C 1.659 177.675 176.000 0.027 0.000 1.104 273 Q CA 1.317 57.139 55.803 0.032 0.000 0.909 273 Q CB 0.591 29.324 28.738 -0.009 0.000 1.214 273 Q HN 0.673 nan 8.270 nan 0.000 0.400 274 T N -0.507 114.068 114.554 0.034 0.000 2.969 274 T HA 0.347 4.698 4.350 0.001 0.000 0.250 274 T C 0.715 175.424 174.700 0.015 0.000 1.021 274 T CA 0.274 62.392 62.100 0.031 0.000 1.003 274 T CB 0.321 69.216 68.868 0.046 0.000 1.040 274 T HN 0.484 nan 8.240 nan 0.000 0.492 275 A N 2.169 124.996 122.820 0.012 0.000 2.462 275 A HA 0.556 4.876 4.320 0.001 0.000 0.243 275 A C 0.628 178.188 177.584 -0.040 0.000 1.076 275 A CA -0.172 51.859 52.037 -0.008 0.000 0.773 275 A CB -0.561 18.436 19.000 -0.006 0.000 1.010 275 A HN 1.227 nan 8.150 nan 0.000 0.493 276 V N 2.397 122.278 119.914 -0.054 0.000 3.865 276 V HA -0.159 3.961 4.120 0.001 0.000 0.463 276 V C 0.026 176.082 176.094 -0.063 0.000 0.682 276 V CA 0.609 62.863 62.300 -0.078 0.000 1.913 276 V CB -1.928 29.826 31.823 -0.116 0.000 2.326 276 V HN 0.987 nan 8.190 nan 0.000 0.496 277 Q N 2.651 122.421 119.800 -0.050 0.000 2.288 277 Q HA 0.539 4.879 4.340 0.001 0.000 0.254 277 Q C -0.023 175.958 176.000 -0.033 0.000 0.932 277 Q CA -0.805 54.978 55.803 -0.033 0.000 0.902 277 Q CB 2.200 30.921 28.738 -0.029 0.000 1.203 277 Q HN 0.697 nan 8.270 nan 0.000 0.415 278 L N 2.487 123.696 121.223 -0.023 0.000 2.367 278 L HA 0.183 4.524 4.340 0.001 0.000 0.275 278 L C -0.432 176.437 176.870 -0.002 0.000 1.129 278 L CA 0.601 55.428 54.840 -0.021 0.000 0.839 278 L CB 0.748 42.791 42.059 -0.027 0.000 1.133 278 L HN 0.686 nan 8.230 nan 0.000 0.453 279 S N 4.757 120.459 115.700 0.004 0.000 2.661 279 S HA 0.887 5.357 4.470 0.001 0.000 0.285 279 S C -0.849 173.781 174.600 0.050 0.000 1.138 279 S CA -0.996 57.221 58.200 0.029 0.000 0.855 279 S CB 1.573 64.788 63.200 0.025 0.000 1.136 279 S HN 0.709 nan 8.310 nan 0.000 0.484 280 L N -2.110 119.169 121.223 0.093 0.000 2.371 280 L HA 1.085 5.425 4.340 0.001 0.000 0.262 280 L C -0.170 176.789 176.870 0.149 0.000 1.006 280 L CA -0.659 54.281 54.840 0.167 0.000 0.818 280 L CB 1.694 43.913 42.059 0.268 0.000 1.354 280 L HN 1.100 nan 8.230 nan 0.000 0.415 281 G N 0.221 109.106 108.800 0.142 0.000 2.506 281 G HA2 0.648 4.609 3.960 0.001 0.000 0.292 281 G HA3 0.648 4.609 3.960 0.001 0.000 0.292 281 G C -3.388 171.529 174.900 0.030 0.000 1.425 281 G CA -0.960 44.184 45.100 0.073 0.000 0.788 281 G HN 0.499 nan 8.290 nan 0.000 0.490 282 P HA 0.569 nan 4.420 nan 0.000 0.276 282 P C -0.783 176.506 177.300 -0.020 0.000 1.244 282 P CA -0.339 62.740 63.100 -0.035 0.000 0.801 282 P CB 1.287 32.957 31.700 -0.050 0.000 1.006 283 M N 1.009 120.591 119.600 -0.030 0.000 2.326 283 M HA 0.678 5.158 4.480 0.001 0.000 0.292 283 M C -0.915 175.379 176.300 -0.011 0.000 1.081 283 M CA -0.216 55.079 55.300 -0.009 0.000 0.919 283 M CB 2.591 35.191 32.600 -0.001 0.000 1.634 283 M HN 0.537 nan 8.290 nan 0.000 0.451 284 A N 2.091 124.916 122.820 0.008 0.000 2.564 284 A HA 0.604 4.924 4.320 0.001 0.000 0.291 284 A C -0.382 177.224 177.584 0.037 0.000 1.102 284 A CA -0.697 51.347 52.037 0.012 0.000 0.660 284 A CB 1.387 20.384 19.000 -0.005 0.000 1.283 284 A HN 0.892 nan 8.150 nan 0.000 0.430 285 R N -0.442 120.084 120.500 0.044 0.000 2.240 285 R HA 0.072 4.412 4.340 0.001 0.000 0.203 285 R C -0.574 175.760 176.300 0.055 0.000 1.011 285 R CA 1.550 57.688 56.100 0.063 0.000 1.007 285 R CB 0.019 30.361 30.300 0.071 0.000 0.911 285 R HN 0.851 nan 8.270 nan 0.000 0.468 286 D N -2.783 117.642 120.400 0.042 0.000 2.579 286 D HA 0.024 4.664 4.640 0.001 0.000 0.257 286 D C 0.618 176.940 176.300 0.036 0.000 1.176 286 D CA -0.780 53.245 54.000 0.041 0.000 0.914 286 D CB 1.218 42.045 40.800 0.044 0.000 1.431 286 D HN -0.188 nan 8.370 nan 0.000 0.454 287 V N -1.612 118.331 119.914 0.048 0.000 3.306 287 V HA 0.090 4.210 4.120 0.001 0.000 0.264 287 V C 1.347 177.492 176.094 0.085 0.000 1.149 287 V CA 1.171 63.507 62.300 0.061 0.000 1.143 287 V CB -0.633 31.236 31.823 0.076 0.000 0.767 287 V HN 0.524 nan 8.190 nan 0.000 0.476 288 E N 1.229 121.488 120.200 0.099 0.000 2.208 288 E HA -0.034 4.317 4.350 0.001 0.000 0.193 288 E C 2.338 178.946 176.600 0.013 0.000 0.988 288 E CA 1.380 57.849 56.400 0.115 0.000 0.828 288 E CB -0.154 29.620 29.700 0.123 0.000 0.763 288 E HN 0.705 nan 8.360 nan 0.000 0.478 289 S N 0.239 115.937 115.700 -0.003 0.000 2.402 289 S HA -0.089 4.382 4.470 0.001 0.000 0.229 289 S C 1.605 176.157 174.600 -0.080 0.000 1.021 289 S CA 0.473 58.648 58.200 -0.040 0.000 0.974 289 S CB -0.067 63.119 63.200 -0.023 0.000 0.800 289 S HN 0.113 nan 8.310 nan 0.000 0.484 290 L N 1.647 122.830 121.223 -0.067 0.000 2.056 290 L HA 0.089 4.429 4.340 0.001 0.000 0.207 290 L C 2.557 179.321 176.870 -0.176 0.000 1.078 290 L CA 1.574 56.363 54.840 -0.086 0.000 0.749 290 L CB -1.246 40.791 42.059 -0.036 0.000 0.901 290 L HN 0.307 nan 8.230 nan 0.000 0.433 291 A N -1.396 121.275 122.820 -0.249 0.000 2.014 291 A HA -0.123 4.197 4.320 0.001 0.000 0.218 291 A C 2.329 179.535 177.584 -0.630 0.000 1.163 291 A CA 1.114 52.831 52.037 -0.533 0.000 0.652 291 A CB -0.585 17.942 19.000 -0.788 0.000 0.808 291 A HN 0.374 nan 8.150 nan 0.000 0.449 292 L N -0.940 120.078 121.223 -0.342 0.000 2.005 292 L HA -0.211 4.129 4.340 0.001 0.000 0.207 292 L C 2.746 179.449 176.870 -0.279 0.000 1.072 292 L CA 1.823 56.498 54.840 -0.275 0.000 0.744 292 L CB -0.445 41.529 42.059 -0.141 0.000 0.895 292 L HN 0.588 nan 8.230 nan 0.000 0.433 293 C N -0.020 119.148 119.300 -0.221 0.000 2.429 293 C HA -0.184 4.276 4.460 0.001 0.000 0.277 293 C C 2.761 177.633 174.990 -0.197 0.000 1.262 293 C CA 0.597 59.510 59.018 -0.174 0.000 1.733 293 C CB -0.855 26.807 27.740 -0.130 0.000 2.010 293 C HN 0.464 nan 8.230 nan 0.000 0.483 294 L N 0.396 121.459 121.223 -0.266 0.000 2.093 294 L HA -0.123 4.217 4.340 0.001 0.000 0.208 294 L C 2.648 179.328 176.870 -0.318 0.000 1.085 294 L CA 1.887 56.589 54.840 -0.231 0.000 0.755 294 L CB -0.744 41.216 42.059 -0.164 0.000 0.904 294 L HN 0.445 nan 8.230 nan 0.000 0.435 295 K N 0.053 120.068 120.400 -0.642 0.000 2.148 295 K HA -0.126 4.194 4.320 0.001 0.000 0.204 295 K C 2.006 178.487 176.600 -0.199 0.000 1.050 295 K CA 1.166 57.163 56.287 -0.483 0.000 0.942 295 K CB 0.033 32.151 32.500 -0.637 0.000 0.724 295 K HN 0.257 nan 8.250 nan 0.000 0.446 296 A N 0.399 123.105 122.820 -0.191 0.000 1.968 296 A HA -0.062 4.258 4.320 0.001 0.000 0.217 296 A C 1.843 179.368 177.584 -0.099 0.000 1.169 296 A CA 0.945 52.913 52.037 -0.114 0.000 0.638 296 A CB -0.245 18.693 19.000 -0.103 0.000 0.812 296 A HN 0.271 nan 8.150 nan 0.000 0.446 297 L N -1.004 120.154 121.223 -0.108 0.000 2.249 297 L HA 0.196 4.536 4.340 0.001 0.000 0.207 297 L C 0.227 177.011 176.870 -0.143 0.000 1.090 297 L CA 0.801 55.585 54.840 -0.094 0.000 0.802 297 L CB -0.305 41.721 42.059 -0.055 0.000 0.947 297 L HN 0.171 nan 8.230 nan 0.000 0.453 298 L N 0.778 121.944 121.223 -0.096 0.000 2.389 298 L HA 0.227 4.568 4.340 0.001 0.000 0.265 298 L C 0.086 176.853 176.870 -0.172 0.000 1.167 298 L CA -0.309 54.476 54.840 -0.091 0.000 1.045 298 L CB -0.830 41.369 42.059 0.234 0.000 1.351 298 L HN 0.301 nan 8.230 nan 0.000 0.419 299 C N -1.600 117.406 119.300 -0.491 0.000 3.213 299 C HA 0.815 5.275 4.460 0.001 0.000 0.319 299 C C 1.560 176.235 174.990 -0.526 0.000 1.386 299 C CA -0.102 58.717 59.018 -0.333 0.000 1.494 299 C CB 1.410 29.021 27.740 -0.215 0.000 1.905 299 C HN 0.614 nan 8.230 nan 0.000 0.456 300 E N -1.043 119.008 120.200 -0.248 0.000 2.347 300 E HA -0.102 4.248 4.350 0.001 0.000 0.196 300 E C 1.540 178.062 176.600 -0.131 0.000 1.008 300 E CA 1.635 57.970 56.400 -0.109 0.000 0.852 300 E CB -0.882 28.787 29.700 -0.052 0.000 0.783 300 E HN 0.836 nan 8.360 nan 0.000 0.505 301 H N -0.357 118.641 119.070 -0.120 0.000 2.293 301 H HA -0.027 4.529 4.556 0.001 0.000 0.300 301 H C 2.318 177.573 175.328 -0.122 0.000 1.082 301 H CA 1.589 57.579 56.048 -0.096 0.000 1.308 301 H CB -0.640 29.069 29.762 -0.089 0.000 1.375 301 H HN 0.408 nan 8.280 nan 0.000 0.495 302 L N 0.231 121.375 121.223 -0.132 0.000 2.131 302 L HA -0.150 4.190 4.340 0.001 0.000 0.210 302 L C 1.551 178.377 176.870 -0.073 0.000 1.092 302 L CA 1.114 55.843 54.840 -0.184 0.000 0.759 302 L CB -0.285 41.560 42.059 -0.356 0.000 0.903 302 L HN 0.006 nan 8.230 nan 0.000 0.435 303 F N -1.511 118.471 119.950 0.053 0.000 2.780 303 F HA 0.063 4.590 4.527 0.001 0.000 0.299 303 F C 2.141 177.959 175.800 0.031 0.000 1.146 303 F CA 0.644 58.664 58.000 0.033 0.000 1.428 303 F CB -1.099 37.909 39.000 0.013 0.000 1.115 303 F HN 0.015 nan 8.300 nan 0.000 0.583 304 T N -0.300 114.359 114.554 0.174 0.000 3.042 304 T HA 0.224 4.574 4.350 0.001 0.000 0.245 304 T C 0.692 175.446 174.700 0.090 0.000 1.029 304 T CA 0.149 62.321 62.100 0.120 0.000 1.120 304 T CB -0.094 68.837 68.868 0.105 0.000 0.917 304 T HN -0.080 nan 8.240 nan 0.000 0.467 305 L N 2.648 123.919 121.223 0.080 0.000 2.268 305 L HA 0.544 4.884 4.340 0.001 0.000 0.289 305 L C -0.620 176.296 176.870 0.076 0.000 1.064 305 L CA -0.442 54.434 54.840 0.061 0.000 0.824 305 L CB -0.219 41.863 42.059 0.039 0.000 1.202 305 L HN -0.016 nan 8.230 nan 0.000 0.433 306 D N 2.793 123.240 120.400 0.078 0.000 3.639 306 D HA -0.086 4.554 4.640 0.001 0.000 0.253 306 D C -1.803 174.571 176.300 0.124 0.000 1.049 306 D CA 0.055 54.112 54.000 0.096 0.000 1.059 306 D CB 0.231 41.095 40.800 0.107 0.000 0.953 306 D HN 0.459 nan 8.370 nan 0.000 0.420 307 P HA -0.065 nan 4.420 nan 0.000 0.247 307 P C 1.168 178.503 177.300 0.058 0.000 1.225 307 P CA 0.798 63.948 63.100 0.083 0.000 0.768 307 P CB -0.022 31.710 31.700 0.054 0.000 1.020 308 T N -3.911 110.686 114.554 0.071 0.000 3.051 308 T HA 0.078 4.428 4.350 0.001 0.000 0.255 308 T C 0.828 175.573 174.700 0.076 0.000 1.085 308 T CA 0.023 62.158 62.100 0.059 0.000 1.109 308 T CB -0.745 68.160 68.868 0.061 0.000 0.921 308 T HN -0.191 nan 8.240 nan 0.000 0.488 309 V N 5.107 125.092 119.914 0.119 0.000 2.540 309 V HA 0.231 4.352 4.120 0.001 0.000 0.297 309 V C -2.022 174.085 176.094 0.022 0.000 1.024 309 V CA -1.671 60.720 62.300 0.150 0.000 1.105 309 V CB 0.185 32.175 31.823 0.278 0.000 0.938 309 V HN 0.405 nan 8.190 nan 0.000 0.482 310 P HA 0.188 nan 4.420 nan 0.000 0.271 310 P C -2.419 174.578 177.300 -0.506 0.000 1.226 310 P CA -1.718 61.207 63.100 -0.292 0.000 0.765 310 P CB 0.276 31.723 31.700 -0.422 0.000 0.835 311 P HA 0.143 nan 4.420 nan 0.000 0.228 311 P C -0.352 176.325 177.300 -1.038 0.000 1.748 311 P CA -0.057 62.071 63.100 -1.620 0.000 0.909 311 P CB -0.235 30.853 31.700 -1.019 0.000 1.882 312 L N 3.055 123.912 121.223 -0.609 0.000 2.325 312 L HA 0.298 4.638 4.340 0.001 0.000 0.284 312 L C -1.605 175.307 176.870 0.071 0.000 1.089 312 L CA -1.960 52.749 54.840 -0.219 0.000 0.836 312 L CB -0.071 41.892 42.059 -0.159 0.000 1.184 312 L HN 0.036 nan 8.230 nan 0.000 0.444 313 P HA -0.028 nan 4.420 nan 0.000 0.274 313 P C -0.472 176.960 177.300 0.220 0.000 1.237 313 P CA -0.467 62.790 63.100 0.262 0.000 0.793 313 P CB 0.612 32.421 31.700 0.182 0.000 0.977 314 F N 2.600 122.610 119.950 0.102 0.000 2.571 314 F HA 0.041 4.569 4.527 0.001 0.000 0.384 314 F C 1.067 176.902 175.800 0.059 0.000 1.058 314 F CA 0.207 58.245 58.000 0.063 0.000 1.200 314 F CB 0.185 39.202 39.000 0.028 0.000 1.077 314 F HN 0.151 nan 8.300 nan 0.000 0.558 315 R N 5.458 125.694 120.500 -0.441 0.000 2.296 315 R HA 0.033 4.373 4.340 0.001 0.000 0.327 315 R C 1.098 177.190 176.300 -0.347 0.000 1.137 315 R CA -0.166 55.768 56.100 -0.276 0.000 1.020 315 R CB 0.610 30.796 30.300 -0.190 0.000 1.110 315 R HN 0.752 nan 8.270 nan 0.000 0.499 316 E N 2.552 122.696 120.200 -0.093 0.000 2.077 316 E HA -0.235 4.115 4.350 0.001 0.000 0.193 316 E C 1.669 178.319 176.600 0.084 0.000 0.989 316 E CA 1.649 58.108 56.400 0.099 0.000 0.800 316 E CB 0.313 30.139 29.700 0.209 0.000 0.746 316 E HN 0.557 nan 8.360 nan 0.000 0.452 317 E N 0.331 120.545 120.200 0.023 0.000 2.150 317 E HA -0.138 4.212 4.350 0.001 0.000 0.193 317 E C 2.053 178.650 176.600 -0.004 0.000 0.985 317 E CA 1.373 57.781 56.400 0.014 0.000 0.814 317 E CB -0.452 29.251 29.700 0.005 0.000 0.752 317 E HN 0.297 nan 8.360 nan 0.000 0.466 318 V N 0.557 120.454 119.914 -0.027 0.000 2.453 318 V HA -0.213 3.908 4.120 0.001 0.000 0.247 318 V C 2.357 178.464 176.094 0.021 0.000 1.048 318 V CA 1.715 64.000 62.300 -0.024 0.000 1.049 318 V CB -0.981 30.805 31.823 -0.063 0.000 0.672 318 V HN 0.244 nan 8.190 nan 0.000 0.457 319 Y N 1.228 121.467 120.300 -0.102 0.000 2.263 319 Y HA -0.029 4.521 4.550 0.001 0.000 0.292 319 Y C 2.526 178.453 175.900 0.044 0.000 1.130 319 Y CA 1.358 59.448 58.100 -0.017 0.000 1.179 319 Y CB -0.094 38.378 38.460 0.020 0.000 0.998 319 Y HN -0.005 nan 8.280 nan 0.000 0.532 320 R N 0.498 120.914 120.500 -0.139 0.000 2.240 320 R HA 0.039 4.380 4.340 0.001 0.000 0.203 320 R C 1.046 177.269 176.300 -0.129 0.000 1.011 320 R CA 0.659 56.634 56.100 -0.208 0.000 1.007 320 R CB -0.546 29.727 30.300 -0.046 0.000 0.911 320 R HN 0.286 nan 8.270 nan 0.000 0.468 321 S N 1.120 116.777 115.700 -0.073 0.000 2.558 321 S HA -0.027 4.443 4.470 0.001 0.000 0.293 321 S C 0.875 175.458 174.600 -0.029 0.000 1.292 321 S CA -0.068 58.112 58.200 -0.034 0.000 1.063 321 S CB 0.655 63.848 63.200 -0.012 0.000 0.831 321 S HN 0.302 nan 8.310 nan 0.000 0.499 322 S N 2.315 118.010 115.700 -0.008 0.000 2.568 322 S HA 0.303 4.774 4.470 0.001 0.000 0.232 322 S C 0.808 175.434 174.600 0.043 0.000 0.975 322 S CA -0.096 58.115 58.200 0.018 0.000 0.949 322 S CB -0.268 62.936 63.200 0.007 0.000 0.829 322 S HN 1.045 nan 8.310 nan 0.000 0.479 323 R N 3.424 123.946 120.500 0.036 0.000 2.449 323 R HA 0.484 4.824 4.340 0.001 0.000 0.296 323 R C -2.461 173.888 176.300 0.082 0.000 1.047 323 R CA -1.420 54.704 56.100 0.041 0.000 1.018 323 R CB -1.475 28.839 30.300 0.024 0.000 0.962 323 R HN 0.369 nan 8.270 nan 0.000 0.428 324 P HA 0.191 nan 4.420 nan 0.000 0.269 324 P C -0.714 176.703 177.300 0.194 0.000 1.215 324 P CA -0.228 62.993 63.100 0.202 0.000 0.780 324 P CB 0.620 32.359 31.700 0.065 0.000 0.898 325 L N 2.196 123.605 121.223 0.310 0.000 2.331 325 L HA 0.473 4.814 4.340 0.001 0.000 0.275 325 L C 1.086 177.966 176.870 0.017 0.000 1.022 325 L CA -0.909 53.958 54.840 0.044 0.000 0.812 325 L CB 1.386 43.348 42.059 -0.163 0.000 1.257 325 L HN 0.212 nan 8.230 nan 0.000 0.435 326 R N 1.693 122.153 120.500 -0.067 0.000 2.202 326 R HA 0.426 4.766 4.340 0.001 0.000 0.334 326 R C -1.173 174.992 176.300 -0.225 0.000 1.036 326 R CA -0.478 55.559 56.100 -0.104 0.000 0.878 326 R CB 1.245 31.484 30.300 -0.103 0.000 1.067 326 R HN 0.294 nan 8.270 nan 0.000 0.457 327 V N 3.037 122.835 119.914 -0.195 0.000 2.357 327 V HA 0.310 4.430 4.120 0.001 0.000 0.284 327 V C 0.846 176.837 176.094 -0.170 0.000 1.018 327 V CA -0.848 61.278 62.300 -0.291 0.000 0.841 327 V CB 1.552 33.229 31.823 -0.244 0.000 0.991 327 V HN 0.912 nan 8.190 nan 0.000 0.437 328 G N 4.152 112.760 108.800 -0.319 0.000 2.483 328 G HA2 0.462 4.422 3.960 0.001 0.000 0.248 328 G HA3 0.462 4.422 3.960 0.001 0.000 0.248 328 G C -0.929 174.014 174.900 0.072 0.000 1.248 328 G CA -0.002 44.992 45.100 -0.177 0.000 0.838 328 G HN 0.991 nan 8.290 nan 0.000 0.566 329 Y N 0.176 120.518 120.300 0.069 0.000 2.552 329 Y HA 0.674 5.224 4.550 0.001 0.000 0.337 329 Y C -1.339 174.711 175.900 0.250 0.000 1.094 329 Y CA -2.037 56.110 58.100 0.078 0.000 1.028 329 Y CB 1.247 39.731 38.460 0.039 0.000 1.321 329 Y HN 0.837 nan 8.280 nan 0.000 0.456 330 Y N -0.103 120.306 120.300 0.181 0.000 2.581 330 Y HA 0.674 5.224 4.550 0.001 0.000 0.345 330 Y C -0.016 176.032 175.900 0.247 0.000 1.036 330 Y CA -1.272 56.895 58.100 0.111 0.000 1.042 330 Y CB 2.125 40.659 38.460 0.122 0.000 1.289 330 Y HN 0.741 nan 8.280 nan 0.000 0.471 331 E N 0.136 120.590 120.200 0.424 0.000 2.307 331 E HA 0.105 4.455 4.350 0.001 0.000 0.195 331 E C -0.215 176.619 176.600 0.390 0.000 0.975 331 E CA 0.724 57.324 56.400 0.332 0.000 0.878 331 E CB 0.666 30.532 29.700 0.276 0.000 0.845 331 E HN 0.691 nan 8.360 nan 0.000 0.488 332 T N -0.476 114.392 114.554 0.522 0.000 2.889 332 T HA 0.076 4.427 4.350 0.001 0.000 0.315 332 T C -1.047 173.960 174.700 0.513 0.000 1.291 332 T CA -0.623 61.831 62.100 0.590 0.000 1.028 332 T CB 1.325 70.476 68.868 0.471 0.000 1.235 332 T HN 0.033 nan 8.240 nan 0.000 0.491 333 D N 1.739 122.417 120.400 0.464 0.000 2.339 333 D HA 0.112 4.752 4.640 0.001 0.000 0.217 333 D C 0.643 176.954 176.300 0.018 0.000 1.050 333 D CA 0.125 54.151 54.000 0.043 0.000 0.856 333 D CB -0.633 40.088 40.800 -0.133 0.000 0.922 333 D HN 0.807 nan 8.370 nan 0.000 0.518 334 N N -2.236 116.507 118.700 0.072 0.000 2.909 334 N HA -0.313 4.427 4.740 0.001 0.000 0.242 334 N C -0.054 175.472 175.510 0.027 0.000 0.975 334 N CA 1.234 54.162 53.050 -0.204 0.000 0.921 334 N CB -1.750 36.577 38.487 -0.266 0.000 1.112 334 N HN 0.366 nan 8.380 nan 0.000 0.581 335 Y N -0.031 120.398 120.300 0.215 0.000 2.583 335 Y HA 0.280 4.830 4.550 0.001 0.000 0.270 335 Y C 0.536 176.732 175.900 0.493 0.000 1.113 335 Y CA 0.812 59.136 58.100 0.374 0.000 1.307 335 Y CB 0.763 39.281 38.460 0.096 0.000 1.369 335 Y HN -0.050 nan 8.280 nan 0.000 0.506 336 T N 3.355 118.200 114.554 0.484 0.000 2.767 336 T HA 0.261 4.611 4.350 0.001 0.000 0.288 336 T C -0.314 174.688 174.700 0.504 0.000 0.963 336 T CA -0.484 61.877 62.100 0.434 0.000 1.019 336 T CB 0.828 69.923 68.868 0.377 0.000 0.923 336 T HN 0.145 nan 8.240 nan 0.000 0.468 337 M N 4.504 124.242 119.600 0.230 0.000 2.219 337 M HA 0.204 4.684 4.480 0.001 0.000 0.353 337 M C -2.199 174.315 176.300 0.357 0.000 1.304 337 M CA -1.763 53.529 55.300 -0.014 0.000 1.115 337 M CB 0.783 32.952 32.600 -0.719 0.000 1.664 337 M HN 0.263 nan 8.290 nan 0.000 0.459 338 P HA 0.057 nan 4.420 nan 0.000 0.272 338 P C -0.912 176.564 177.300 0.294 0.000 1.223 338 P CA -0.305 62.960 63.100 0.275 0.000 0.784 338 P CB 0.481 32.297 31.700 0.192 0.000 0.923 339 S N 2.889 118.698 115.700 0.181 0.000 2.593 339 S HA 0.186 4.657 4.470 0.001 0.000 0.269 339 S C -1.431 173.227 174.600 0.096 0.000 1.334 339 S CA -0.784 57.481 58.200 0.107 0.000 1.015 339 S CB -0.212 62.977 63.200 -0.018 0.000 0.912 339 S HN 0.327 nan 8.310 nan 0.000 0.541 340 P HA -0.202 nan 4.420 nan 0.000 0.217 340 P C 1.450 178.762 177.300 0.020 0.000 1.151 340 P CA 2.113 65.245 63.100 0.053 0.000 0.849 340 P CB -0.389 31.335 31.700 0.040 0.000 0.787 341 A N -0.968 121.849 122.820 -0.005 0.000 1.969 341 A HA -0.120 4.200 4.320 0.001 0.000 0.218 341 A C 2.396 179.966 177.584 -0.023 0.000 1.169 341 A CA 1.643 53.664 52.037 -0.028 0.000 0.635 341 A CB -1.277 17.689 19.000 -0.057 0.000 0.810 341 A HN 0.115 nan 8.150 nan 0.000 0.445 342 M N -1.482 118.113 119.600 -0.009 0.000 2.123 342 M HA -0.102 4.378 4.480 0.001 0.000 0.263 342 M C 2.361 178.661 176.300 0.000 0.000 1.069 342 M CA 1.889 57.180 55.300 -0.015 0.000 1.133 342 M CB -0.162 32.432 32.600 -0.010 0.000 1.356 342 M HN 0.496 nan 8.290 nan 0.000 0.415 343 R N 0.384 120.906 120.500 0.036 0.000 2.073 343 R HA -0.139 4.201 4.340 0.001 0.000 0.234 343 R C 2.190 178.512 176.300 0.037 0.000 1.134 343 R CA 1.747 57.881 56.100 0.058 0.000 0.952 343 R CB -0.350 29.999 30.300 0.080 0.000 0.850 343 R HN 0.206 nan 8.270 nan 0.000 0.433 344 R N -0.234 120.278 120.500 0.020 0.000 2.092 344 R HA -0.041 4.300 4.340 0.001 0.000 0.231 344 R C 2.060 178.354 176.300 -0.009 0.000 1.119 344 R CA 1.298 57.401 56.100 0.006 0.000 0.970 344 R CB -0.311 29.989 30.300 0.000 0.000 0.864 344 R HN 0.366 nan 8.270 nan 0.000 0.440 345 A N 1.778 124.586 122.820 -0.019 0.000 1.851 345 A HA -0.183 4.137 4.320 0.001 0.000 0.216 345 A C 2.114 179.679 177.584 -0.032 0.000 1.195 345 A CA 1.231 53.248 52.037 -0.033 0.000 0.622 345 A CB -0.853 18.121 19.000 -0.043 0.000 0.831 345 A HN 0.387 nan 8.150 nan 0.000 0.444 346 L N -0.083 121.126 121.223 -0.022 0.000 2.042 346 L HA -0.162 4.179 4.340 0.001 0.000 0.210 346 L C 2.320 179.179 176.870 -0.020 0.000 1.076 346 L CA 2.083 56.914 54.840 -0.015 0.000 0.749 346 L CB -0.866 41.199 42.059 0.011 0.000 0.893 346 L HN 0.484 nan 8.230 nan 0.000 0.432 347 I N -0.016 120.551 120.570 -0.006 0.000 2.202 347 I HA -0.310 3.861 4.170 0.001 0.000 0.242 347 I C 2.498 178.588 176.117 -0.045 0.000 1.091 347 I CA 1.277 62.563 61.300 -0.024 0.000 1.368 347 I CB -0.188 37.818 38.000 0.010 0.000 1.058 347 I HN 0.298 nan 8.210 nan 0.000 0.410 348 E N -0.089 120.092 120.200 -0.033 0.000 2.110 348 E HA -0.256 4.095 4.350 0.001 0.000 0.193 348 E C 2.168 178.742 176.600 -0.044 0.000 0.988 348 E CA 1.845 58.225 56.400 -0.035 0.000 0.804 348 E CB -0.038 29.645 29.700 -0.029 0.000 0.745 348 E HN 0.442 nan 8.360 nan 0.000 0.458 349 T N 0.035 114.558 114.554 -0.051 0.000 2.995 349 T HA -0.111 4.239 4.350 0.001 0.000 0.269 349 T C 1.775 176.440 174.700 -0.057 0.000 1.091 349 T CA 1.064 63.129 62.100 -0.058 0.000 1.128 349 T CB -0.035 68.787 68.868 -0.076 0.000 0.891 349 T HN 0.001 nan 8.240 nan 0.000 0.492 350 K N 0.111 120.457 120.400 -0.091 0.000 2.097 350 K HA -0.141 4.179 4.320 0.001 0.000 0.206 350 K C 2.401 178.934 176.600 -0.111 0.000 1.049 350 K CA 1.496 57.687 56.287 -0.160 0.000 0.933 350 K CB -0.207 32.086 32.500 -0.345 0.000 0.717 350 K HN 0.408 nan 8.250 nan 0.000 0.442 351 Q N 0.084 119.835 119.800 -0.081 0.000 2.079 351 Q HA -0.037 4.304 4.340 0.001 0.000 0.200 351 Q C 2.145 178.128 176.000 -0.027 0.000 0.974 351 Q CA 1.394 57.166 55.803 -0.053 0.000 0.840 351 Q CB 0.159 28.873 28.738 -0.041 0.000 0.898 351 Q HN 0.194 nan 8.270 nan 0.000 0.430 352 R N -0.110 120.378 120.500 -0.020 0.000 2.148 352 R HA -0.048 4.292 4.340 0.001 0.000 0.227 352 R C 2.148 178.467 176.300 0.033 0.000 1.103 352 R CA 0.768 56.867 56.100 -0.003 0.000 0.983 352 R CB -0.296 29.997 30.300 -0.012 0.000 0.874 352 R HN 0.342 nan 8.270 nan 0.000 0.451 353 L N 0.430 121.689 121.223 0.061 0.000 2.109 353 L HA -0.101 4.239 4.340 0.001 0.000 0.207 353 L C 2.221 179.194 176.870 0.171 0.000 1.086 353 L CA 1.198 56.154 54.840 0.193 0.000 0.760 353 L CB -0.253 41.919 42.059 0.189 0.000 0.910 353 L HN 0.168 nan 8.230 nan 0.000 0.437 354 E N 0.052 120.286 120.200 0.057 0.000 2.072 354 E HA -0.196 4.154 4.350 0.001 0.000 0.191 354 E C 2.226 178.816 176.600 -0.017 0.000 0.985 354 E CA 1.124 57.533 56.400 0.016 0.000 0.801 354 E CB -0.097 29.596 29.700 -0.012 0.000 0.750 354 E HN 0.475 nan 8.360 nan 0.000 0.452 355 A N 0.832 123.642 122.820 -0.016 0.000 2.066 355 A HA 0.050 4.371 4.320 0.001 0.000 0.218 355 A C 2.165 179.719 177.584 -0.050 0.000 1.157 355 A CA 1.264 53.284 52.037 -0.029 0.000 0.670 355 A CB -0.158 18.830 19.000 -0.019 0.000 0.804 355 A HN 0.259 nan 8.150 nan 0.000 0.453 356 A N -2.172 120.611 122.820 -0.062 0.000 2.218 356 A HA 0.444 4.764 4.320 0.001 0.000 0.209 356 A C 1.611 179.024 177.584 -0.286 0.000 1.168 356 A CA 1.293 53.258 52.037 -0.120 0.000 0.804 356 A CB -0.357 18.613 19.000 -0.051 0.000 0.834 356 A HN 1.627 nan 8.150 nan 0.000 0.482 357 G N -1.681 106.940 108.800 -0.298 0.000 2.318 357 G HA2 -0.121 3.840 3.960 0.001 0.000 0.172 357 G HA3 -0.121 3.840 3.960 0.001 0.000 0.172 357 G C -0.024 174.714 174.900 -0.270 0.000 1.002 357 G CA -0.006 44.927 45.100 -0.277 0.000 0.697 357 G HN 0.679 nan 8.290 nan 0.000 0.483 358 H N 0.950 120.027 119.070 0.011 0.000 2.615 358 H HA 0.554 5.110 4.556 0.001 0.000 0.363 358 H C 0.722 176.050 175.328 0.001 0.000 1.148 358 H CA 0.798 56.852 56.048 0.010 0.000 1.401 358 H CB 1.245 31.027 29.762 0.033 0.000 1.461 358 H HN 0.175 nan 8.280 nan 0.000 0.588 359 T N 2.824 117.449 114.554 0.119 0.000 2.767 359 T HA 0.292 4.643 4.350 0.001 0.000 0.288 359 T C -0.588 174.151 174.700 0.064 0.000 0.963 359 T CA -0.967 61.172 62.100 0.066 0.000 1.019 359 T CB 0.081 68.973 68.868 0.039 0.000 0.923 359 T HN 0.287 nan 8.240 nan 0.000 0.468 360 L N 6.024 127.293 121.223 0.076 0.000 2.280 360 L HA 0.536 4.877 4.340 0.001 0.000 0.287 360 L C -0.585 176.455 176.870 0.285 0.000 1.023 360 L CA -0.705 54.206 54.840 0.119 0.000 0.819 360 L CB 1.238 43.272 42.059 -0.042 0.000 1.212 360 L HN 0.741 nan 8.230 nan 0.000 0.420 361 I N 5.384 126.142 120.570 0.313 0.000 2.406 361 I HA 0.355 4.526 4.170 0.001 0.000 0.290 361 I C -2.231 173.927 176.117 0.067 0.000 0.999 361 I CA -1.998 59.419 61.300 0.195 0.000 1.124 361 I CB 1.832 39.871 38.000 0.064 0.000 1.289 361 I HN 0.336 nan 8.210 nan 0.000 0.441 362 P HA 0.091 nan 4.420 nan 0.000 0.264 362 P C -1.088 176.147 177.300 -0.109 0.000 1.229 362 P CA 0.344 63.180 63.100 -0.439 0.000 0.780 362 P CB -0.019 31.506 31.700 -0.291 0.000 0.808 363 F N 5.193 125.019 119.950 -0.205 0.000 2.547 363 F HA 0.616 5.144 4.527 0.000 0.000 0.316 363 F C -1.521 174.306 175.800 0.044 0.000 1.121 363 F CA -1.094 56.870 58.000 -0.060 0.000 0.911 363 F CB 1.420 40.386 39.000 -0.058 0.000 1.179 363 F HN 0.037 nan 8.300 nan 0.000 0.443 364 L N 7.926 128.856 121.223 -0.488 0.000 2.410 364 L HA 0.657 4.998 4.340 0.001 0.000 0.270 364 L C -2.579 173.921 176.870 -0.618 0.000 0.983 364 L CA -2.251 52.337 54.840 -0.419 0.000 0.822 364 L CB 2.018 43.863 42.059 -0.358 0.000 1.285 364 L HN 0.359 nan 8.230 nan 0.000 0.409 365 P HA 0.158 nan 4.420 nan 0.000 0.267 365 P C -1.209 176.006 177.300 -0.141 0.000 1.205 365 P CA -0.121 62.910 63.100 -0.115 0.000 0.765 365 P CB 0.163 31.922 31.700 0.098 0.000 0.828 366 N N 1.918 120.546 118.700 -0.120 0.000 2.416 366 N HA -0.027 4.713 4.740 0.001 0.000 0.246 366 N C -0.144 175.428 175.510 0.103 0.000 1.260 366 N CA -0.362 52.658 53.050 -0.050 0.000 0.897 366 N CB -0.429 38.027 38.487 -0.052 0.000 1.110 366 N HN 0.294 nan 8.380 nan 0.000 0.439 367 N N -0.646 118.088 118.700 0.057 0.000 2.725 367 N HA -0.213 4.527 4.740 0.001 0.000 0.249 367 N C 0.174 175.724 175.510 0.065 0.000 1.103 367 N CA 0.751 53.856 53.050 0.091 0.000 0.707 367 N CB -1.153 37.414 38.487 0.133 0.000 1.043 367 N HN 0.587 nan 8.380 nan 0.000 0.553 368 I N 0.123 120.694 120.570 0.002 0.000 2.143 368 I HA -0.284 3.886 4.170 0.001 0.000 0.245 368 I C -0.569 175.445 176.117 -0.172 0.000 1.068 368 I CA 1.784 63.020 61.300 -0.107 0.000 1.326 368 I CB -0.920 36.990 38.000 -0.150 0.000 1.028 368 I HN 0.220 nan 8.210 nan 0.000 0.412 369 P HA -0.229 nan 4.420 nan 0.000 0.216 369 P C 1.564 178.850 177.300 -0.023 0.000 1.150 369 P CA 1.496 64.599 63.100 0.005 0.000 0.837 369 P CB -0.148 31.657 31.700 0.175 0.000 0.786 370 Y N 0.675 120.894 120.300 -0.136 0.000 2.181 370 Y HA -0.146 4.404 4.550 0.001 0.000 0.288 370 Y C 2.360 178.084 175.900 -0.293 0.000 1.146 370 Y CA 1.599 59.596 58.100 -0.171 0.000 1.164 370 Y CB -0.990 37.379 38.460 -0.153 0.000 0.982 370 Y HN -0.120 nan 8.280 nan 0.000 0.515 371 A N 0.092 122.653 122.820 -0.432 0.000 1.898 371 A HA -0.110 4.211 4.320 0.001 0.000 0.216 371 A C 2.238 179.521 177.584 -0.501 0.000 1.181 371 A CA 1.797 53.428 52.037 -0.677 0.000 0.620 371 A CB -1.036 17.469 19.000 -0.824 0.000 0.819 371 A HN 0.526 nan 8.150 nan 0.000 0.442 372 L N -0.994 119.970 121.223 -0.432 0.000 2.044 372 L HA -0.128 4.213 4.340 0.001 0.000 0.205 372 L C 2.594 179.299 176.870 -0.275 0.000 1.075 372 L CA 1.545 56.148 54.840 -0.394 0.000 0.747 372 L CB -0.572 41.132 42.059 -0.592 0.000 0.903 372 L HN 0.420 nan 8.230 nan 0.000 0.435 373 E N -0.289 119.769 120.200 -0.237 0.000 2.042 373 E HA -0.159 4.191 4.350 0.001 0.000 0.189 373 E C 2.208 178.727 176.600 -0.134 0.000 0.974 373 E CA 1.343 57.685 56.400 -0.097 0.000 0.806 373 E CB -0.066 29.627 29.700 -0.011 0.000 0.769 373 E HN 0.346 nan 8.360 nan 0.000 0.451 374 V N 0.532 120.279 119.914 -0.278 0.000 2.374 374 V HA -0.085 4.035 4.120 0.001 0.000 0.241 374 V C 1.984 177.865 176.094 -0.356 0.000 1.034 374 V CA 1.057 63.161 62.300 -0.328 0.000 1.037 374 V CB -0.333 31.267 31.823 -0.371 0.000 0.682 374 V HN 0.166 nan 8.190 nan 0.000 0.463 375 L N 0.575 121.496 121.223 -0.502 0.000 2.072 375 L HA -0.008 4.332 4.340 0.001 0.000 0.205 375 L C 2.757 179.469 176.870 -0.263 0.000 1.079 375 L CA 1.703 56.311 54.840 -0.388 0.000 0.752 375 L CB -0.795 40.981 42.059 -0.472 0.000 0.906 375 L HN 0.337 nan 8.230 nan 0.000 0.436 376 S N 0.269 115.809 115.700 -0.268 0.000 2.325 376 S HA -0.021 4.449 4.470 0.001 0.000 0.214 376 S C 2.194 176.692 174.600 -0.170 0.000 1.031 376 S CA 0.988 59.061 58.200 -0.213 0.000 0.972 376 S CB -0.347 62.718 63.200 -0.225 0.000 0.908 376 S HN 0.411 nan 8.310 nan 0.000 0.453 377 A N 1.350 124.100 122.820 -0.116 0.000 1.969 377 A HA 0.115 4.436 4.320 0.001 0.000 0.218 377 A C 2.201 179.789 177.584 0.007 0.000 1.169 377 A CA 1.651 53.679 52.037 -0.016 0.000 0.635 377 A CB -1.203 17.881 19.000 0.139 0.000 0.810 377 A HN 0.521 nan 8.150 nan 0.000 0.445 378 G N -0.651 108.126 108.800 -0.039 0.000 2.403 378 G HA2 0.125 4.085 3.960 0.001 0.000 0.216 378 G HA3 0.125 4.085 3.960 0.001 0.000 0.216 378 G C 1.479 176.357 174.900 -0.037 0.000 1.154 378 G CA 1.093 46.181 45.100 -0.021 0.000 0.784 378 G HN 0.634 nan 8.290 nan 0.000 0.538 379 G N 1.142 109.889 108.800 -0.089 0.000 2.421 379 G HA2 -0.167 3.793 3.960 0.001 0.000 0.216 379 G HA3 -0.167 3.793 3.960 0.001 0.000 0.216 379 G C 1.751 176.578 174.900 -0.121 0.000 1.171 379 G CA 0.713 45.759 45.100 -0.090 0.000 0.775 379 G HN 0.405 nan 8.290 nan 0.000 0.543 380 L N -1.179 119.907 121.223 -0.229 0.000 2.217 380 L HA 0.163 4.504 4.340 0.001 0.000 0.211 380 L C 1.048 177.633 176.870 -0.475 0.000 1.107 380 L CA 0.493 55.071 54.840 -0.436 0.000 0.783 380 L CB -0.034 41.613 42.059 -0.685 0.000 0.919 380 L HN 0.105 nan 8.230 nan 0.000 0.442 381 F N -1.287 118.617 119.950 -0.076 0.000 2.841 381 F HA 0.187 4.714 4.527 0.000 0.000 0.358 381 F C 1.715 177.485 175.800 -0.050 0.000 1.261 381 F CA -0.668 57.287 58.000 -0.075 0.000 1.233 381 F CB -0.302 38.633 39.000 -0.109 0.000 1.008 381 F HN -0.130 nan 8.300 nan 0.000 0.507 382 S N -0.595 115.177 115.700 0.120 0.000 2.423 382 S HA -0.189 4.282 4.470 0.001 0.000 0.231 382 S C 1.800 176.444 174.600 0.074 0.000 1.014 382 S CA 1.443 59.688 58.200 0.075 0.000 0.965 382 S CB -0.191 63.039 63.200 0.050 0.000 0.785 382 S HN 0.620 nan 8.310 nan 0.000 0.495 383 D N 0.697 121.156 120.400 0.098 0.000 2.349 383 D HA 0.125 4.765 4.640 0.001 0.000 0.215 383 D C 1.345 177.689 176.300 0.073 0.000 1.016 383 D CA 0.868 54.919 54.000 0.084 0.000 0.870 383 D CB -0.176 40.684 40.800 0.100 0.000 0.917 383 D HN 0.490 nan 8.370 nan 0.000 0.524 384 G N -0.032 108.812 108.800 0.073 0.000 2.176 384 G HA2 -0.166 3.794 3.960 0.001 0.000 0.232 384 G HA3 -0.166 3.794 3.960 0.001 0.000 0.232 384 G C 1.144 176.022 174.900 -0.035 0.000 0.986 384 G CA 0.304 45.402 45.100 -0.002 0.000 0.643 384 G HN 1.280 nan 8.290 nan 0.000 0.522 385 G N -1.522 107.335 108.800 0.094 0.000 2.157 385 G HA2 0.114 4.074 3.960 0.001 0.000 0.248 385 G HA3 0.114 4.074 3.960 0.001 0.000 0.248 385 G C 1.343 176.361 174.900 0.197 0.000 0.979 385 G CA 1.644 46.847 45.100 0.171 0.000 0.650 385 G HN 1.953 nan 8.290 nan 0.000 0.529 386 R N 0.514 121.091 120.500 0.129 0.000 2.083 386 R HA 0.134 4.474 4.340 0.001 0.000 0.237 386 R C 2.788 179.170 176.300 0.136 0.000 1.137 386 R CA 2.729 58.893 56.100 0.107 0.000 0.951 386 R CB -1.490 28.853 30.300 0.072 0.000 0.851 386 R HN 0.889 nan 8.270 nan 0.000 0.434 387 S N -0.041 115.758 115.700 0.165 0.000 2.374 387 S HA -0.135 4.336 4.470 0.001 0.000 0.227 387 S C 1.785 176.517 174.600 0.221 0.000 1.037 387 S CA 1.524 59.829 58.200 0.174 0.000 1.024 387 S CB -0.448 62.860 63.200 0.180 0.000 0.861 387 S HN 0.624 nan 8.310 nan 0.000 0.456 388 F N 1.718 121.751 119.950 0.139 0.000 2.234 388 F HA 0.156 4.683 4.527 0.001 0.000 0.296 388 F C 1.695 177.656 175.800 0.268 0.000 1.089 388 F CA 0.826 58.941 58.000 0.192 0.000 1.343 388 F CB -0.289 38.863 39.000 0.253 0.000 1.040 388 F HN 0.069 nan 8.300 nan 0.000 0.498 389 L N -0.216 121.083 121.223 0.126 0.000 2.217 389 L HA -0.155 4.185 4.340 0.001 0.000 0.211 389 L C 2.361 179.280 176.870 0.081 0.000 1.107 389 L CA 0.911 55.799 54.840 0.080 0.000 0.783 389 L CB -0.659 41.437 42.059 0.061 0.000 0.919 389 L HN 0.146 nan 8.230 nan 0.000 0.442 390 Q N 0.551 120.380 119.800 0.050 0.000 2.181 390 Q HA -0.216 4.124 4.340 0.001 0.000 0.205 390 Q C 1.739 177.721 176.000 -0.030 0.000 0.980 390 Q CA 1.658 57.474 55.803 0.021 0.000 0.862 390 Q CB -0.133 28.626 28.738 0.035 0.000 0.905 390 Q HN 0.471 nan 8.270 nan 0.000 0.429 391 N N -1.397 117.241 118.700 -0.103 0.000 2.443 391 N HA -0.107 4.633 4.740 0.001 0.000 0.184 391 N C 0.262 175.539 175.510 -0.388 0.000 1.037 391 N CA 0.843 53.734 53.050 -0.265 0.000 0.896 391 N CB 0.020 38.256 38.487 -0.418 0.000 0.959 391 N HN 0.212 nan 8.380 nan 0.000 0.442 392 F N 0.435 120.283 119.950 -0.170 0.000 2.695 392 F HA 0.249 4.776 4.527 0.001 0.000 0.303 392 F C 0.642 176.374 175.800 -0.113 0.000 1.091 392 F CA -0.277 57.635 58.000 -0.148 0.000 1.300 392 F CB 0.267 39.160 39.000 -0.177 0.000 1.071 392 F HN -0.270 nan 8.300 nan 0.000 0.578 393 K N 0.585 121.003 120.400 0.029 0.000 2.419 393 K HA 0.293 4.613 4.320 0.001 0.000 0.282 393 K C 1.040 177.614 176.600 -0.043 0.000 1.056 393 K CA 0.840 57.124 56.287 -0.004 0.000 1.035 393 K CB -0.143 32.349 32.500 -0.013 0.000 0.921 393 K HN 0.341 nan 8.250 nan 0.000 0.472 394 G N 2.815 111.577 108.800 -0.063 0.000 2.198 394 G HA2 -0.229 3.731 3.960 0.001 0.000 0.257 394 G HA3 -0.229 3.731 3.960 0.001 0.000 0.257 394 G C -0.427 174.367 174.900 -0.176 0.000 1.042 394 G CA 0.103 45.131 45.100 -0.120 0.000 0.791 394 G HN 0.651 nan 8.290 nan 0.000 0.502 395 D N -0.958 119.362 120.400 -0.134 0.000 2.340 395 D HA 0.633 5.274 4.640 0.001 0.000 0.240 395 D C 0.445 176.668 176.300 -0.129 0.000 1.001 395 D CA -0.710 53.214 54.000 -0.127 0.000 0.888 395 D CB 0.860 41.653 40.800 -0.013 0.000 1.310 395 D HN -0.033 nan 8.370 nan 0.000 0.474 396 F N 0.509 120.495 119.950 0.060 0.000 2.471 396 F HA 0.127 4.654 4.527 0.001 0.000 0.353 396 F C 0.963 176.837 175.800 0.123 0.000 1.113 396 F CA -0.541 57.498 58.000 0.065 0.000 1.262 396 F CB 0.804 39.825 39.000 0.035 0.000 1.146 396 F HN -0.039 nan 8.300 nan 0.000 0.578 397 V N 0.681 120.769 119.914 0.289 0.000 2.432 397 V HA 0.260 4.380 4.120 0.001 0.000 0.275 397 V C -0.164 176.035 176.094 0.175 0.000 1.043 397 V CA -0.894 61.528 62.300 0.203 0.000 0.925 397 V CB 1.260 33.111 31.823 0.047 0.000 0.985 397 V HN 0.749 nan 8.190 nan 0.000 0.466 398 D N 7.053 127.556 120.400 0.172 0.000 2.348 398 D HA 0.255 4.895 4.640 0.001 0.000 0.253 398 D C -1.382 174.961 176.300 0.071 0.000 1.161 398 D CA -1.544 52.522 54.000 0.110 0.000 0.876 398 D CB 2.274 43.142 40.800 0.114 0.000 1.160 398 D HN 0.479 nan 8.370 nan 0.000 0.459 399 P HA -0.168 nan 4.420 nan 0.000 0.220 399 P C 1.750 179.055 177.300 0.009 0.000 1.144 399 P CA 0.762 63.875 63.100 0.021 0.000 0.800 399 P CB -0.331 31.373 31.700 0.006 0.000 0.772 400 C N -2.005 117.299 119.300 0.008 0.000 2.419 400 C HA -0.015 4.446 4.460 0.001 0.000 0.281 400 C C 2.433 177.413 174.990 -0.016 0.000 1.336 400 C CA 0.113 59.120 59.018 -0.018 0.000 1.770 400 C CB -2.279 25.449 27.740 -0.020 0.000 1.929 400 C HN 0.034 nan 8.230 nan 0.000 0.509 401 L N 1.709 122.950 121.223 0.030 0.000 2.465 401 L HA 0.306 4.646 4.340 0.001 0.000 0.224 401 L C 1.964 178.858 176.870 0.038 0.000 1.145 401 L CA 1.760 56.632 54.840 0.053 0.000 0.834 401 L CB -1.024 41.094 42.059 0.098 0.000 0.944 401 L HN 0.841 nan 8.230 nan 0.000 0.451 402 G N -0.398 108.415 108.800 0.022 0.000 2.509 402 G HA2 -0.303 3.657 3.960 0.001 0.000 0.256 402 G HA3 -0.303 3.657 3.960 0.001 0.000 0.256 402 G C 0.228 175.149 174.900 0.036 0.000 1.152 402 G CA 0.164 45.282 45.100 0.029 0.000 0.951 402 G HN 0.213 nan 8.290 nan 0.000 0.559 403 D N 0.578 121.014 120.400 0.060 0.000 2.440 403 D HA 0.238 4.878 4.640 0.001 0.000 0.216 403 D C 2.152 178.482 176.300 0.049 0.000 1.150 403 D CA -0.010 54.019 54.000 0.049 0.000 0.832 403 D CB 0.779 41.616 40.800 0.062 0.000 0.992 403 D HN 0.249 nan 8.370 nan 0.000 0.502 404 L N 1.035 122.299 121.223 0.069 0.000 2.046 404 L HA -0.153 4.187 4.340 0.001 0.000 0.208 404 L C 1.756 178.610 176.870 -0.028 0.000 1.077 404 L CA 1.528 56.410 54.840 0.070 0.000 0.747 404 L CB -0.235 41.913 42.059 0.148 0.000 0.896 404 L HN -0.065 nan 8.230 nan 0.000 0.432 405 I N -1.018 119.499 120.570 -0.087 0.000 2.353 405 I HA -0.210 3.961 4.170 0.001 0.000 0.248 405 I C 2.496 178.529 176.117 -0.139 0.000 1.119 405 I CA 1.057 62.235 61.300 -0.204 0.000 1.417 405 I CB -1.374 36.367 38.000 -0.431 0.000 1.078 405 I HN 0.315 nan 8.210 nan 0.000 0.421 406 L N 0.855 122.026 121.223 -0.088 0.000 2.042 406 L HA -0.157 4.184 4.340 0.001 0.000 0.210 406 L C 2.380 179.215 176.870 -0.058 0.000 1.076 406 L CA 1.812 56.617 54.840 -0.058 0.000 0.749 406 L CB -0.221 41.823 42.059 -0.025 0.000 0.893 406 L HN 0.064 nan 8.230 nan 0.000 0.432 407 I N -1.342 119.189 120.570 -0.064 0.000 2.406 407 I HA -0.227 3.943 4.170 0.001 0.000 0.249 407 I C 2.126 178.150 176.117 -0.156 0.000 1.122 407 I CA 0.779 62.025 61.300 -0.090 0.000 1.431 407 I CB -0.136 37.813 38.000 -0.086 0.000 1.087 407 I HN 0.190 nan 8.210 nan 0.000 0.424 408 L N 0.188 121.298 121.223 -0.189 0.000 2.275 408 L HA -0.119 4.221 4.340 0.001 0.000 0.215 408 L C 2.530 179.324 176.870 -0.126 0.000 1.119 408 L CA 1.102 55.814 54.840 -0.214 0.000 0.790 408 L CB -0.440 41.495 42.059 -0.208 0.000 0.919 408 L HN 0.138 nan 8.230 nan 0.000 0.443 409 R N -0.426 120.015 120.500 -0.098 0.000 2.193 409 R HA 0.078 4.418 4.340 0.001 0.000 0.213 409 R C 0.607 176.867 176.300 -0.066 0.000 1.055 409 R CA 0.104 56.162 56.100 -0.070 0.000 0.995 409 R CB -0.038 30.220 30.300 -0.069 0.000 0.893 409 R HN 0.250 nan 8.270 nan 0.000 0.459 410 L N 2.991 124.171 121.223 -0.073 0.000 2.483 410 L HA 0.087 4.428 4.340 0.001 0.000 0.276 410 L C -1.784 175.039 176.870 -0.078 0.000 1.213 410 L CA -1.683 53.114 54.840 -0.070 0.000 0.843 410 L CB 0.072 42.136 42.059 0.008 0.000 1.107 410 L HN -0.054 nan 8.230 nan 0.000 0.487 411 P HA 0.097 nan 4.420 nan 0.000 0.272 411 P C 0.157 177.392 177.300 -0.109 0.000 1.240 411 P CA -0.385 62.682 63.100 -0.054 0.000 0.791 411 P CB 0.762 32.495 31.700 0.054 0.000 0.978 412 S N 0.375 116.084 115.700 0.015 0.000 2.359 412 S HA -0.123 4.347 4.470 0.001 0.000 0.224 412 S C 1.734 176.345 174.600 0.017 0.000 1.035 412 S CA 1.369 59.583 58.200 0.022 0.000 1.018 412 S CB -0.851 62.400 63.200 0.085 0.000 0.876 412 S HN 0.720 nan 8.310 nan 0.000 0.448 413 W N 0.747 122.086 121.300 0.065 0.000 2.363 413 W HA -0.067 4.593 4.660 0.000 0.000 0.296 413 W C 1.780 178.369 176.519 0.116 0.000 1.212 413 W CA 0.437 57.825 57.345 0.072 0.000 1.260 413 W CB -1.144 28.358 29.460 0.069 0.000 1.131 413 W HN 0.266 nan 8.180 nan 0.000 0.530 414 F N 2.453 121.654 119.950 -1.248 0.000 2.128 414 F HA -0.004 4.524 4.527 0.001 0.000 0.295 414 F C 2.647 178.145 175.800 -0.503 0.000 1.100 414 F CA 2.189 59.495 58.000 -1.157 0.000 1.260 414 F CB -0.625 37.571 39.000 -1.339 0.000 1.009 414 F HN -0.283 nan 8.300 nan 0.000 0.476 415 K N 0.158 120.372 120.400 -0.310 0.000 2.059 415 K HA -0.275 4.045 4.320 0.001 0.000 0.212 415 K C 2.495 178.963 176.600 -0.220 0.000 1.050 415 K CA 2.552 58.686 56.287 -0.255 0.000 0.927 415 K CB -0.400 31.996 32.500 -0.172 0.000 0.714 415 K HN 0.249 nan 8.250 nan 0.000 0.447 416 R N 0.755 121.168 120.500 -0.144 0.000 2.081 416 R HA -0.074 4.266 4.340 0.001 0.000 0.235 416 R C 2.171 178.413 176.300 -0.096 0.000 1.131 416 R CA 1.831 57.885 56.100 -0.077 0.000 0.960 416 R CB -1.401 28.902 30.300 0.006 0.000 0.856 416 R HN 0.318 nan 8.270 nan 0.000 0.436 417 L N -0.100 121.038 121.223 -0.140 0.000 2.027 417 L HA 0.040 4.380 4.340 0.001 0.000 0.206 417 L C 2.579 179.306 176.870 -0.238 0.000 1.074 417 L CA 1.500 56.256 54.840 -0.140 0.000 0.745 417 L CB -0.194 41.814 42.059 -0.085 0.000 0.898 417 L HN 0.397 nan 8.230 nan 0.000 0.433 418 L N -1.255 119.712 121.223 -0.428 0.000 2.079 418 L HA -0.240 4.100 4.340 0.001 0.000 0.210 418 L C 2.689 179.438 176.870 -0.201 0.000 1.081 418 L CA 1.437 56.048 54.840 -0.381 0.000 0.752 418 L CB -0.400 41.352 42.059 -0.512 0.000 0.896 418 L HN 0.387 nan 8.230 nan 0.000 0.433 419 S N 0.255 115.854 115.700 -0.167 0.000 2.344 419 S HA -0.176 4.294 4.470 0.001 0.000 0.217 419 S C 1.863 176.425 174.600 -0.064 0.000 1.033 419 S CA 1.657 59.801 58.200 -0.094 0.000 1.017 419 S CB -0.309 62.845 63.200 -0.078 0.000 0.941 419 S HN 0.504 nan 8.310 nan 0.000 0.430 420 L N 0.013 121.200 121.223 -0.059 0.000 2.376 420 L HA 0.149 4.489 4.340 0.001 0.000 0.219 420 L C 2.212 179.056 176.870 -0.042 0.000 1.133 420 L CA 1.117 55.934 54.840 -0.037 0.000 0.816 420 L CB -0.600 41.446 42.059 -0.021 0.000 0.933 420 L HN 0.296 nan 8.230 nan 0.000 0.449 421 L N 0.026 121.213 121.223 -0.060 0.000 2.141 421 L HA -0.123 4.217 4.340 0.001 0.000 0.209 421 L C 2.228 179.063 176.870 -0.059 0.000 1.094 421 L CA 1.186 55.990 54.840 -0.060 0.000 0.763 421 L CB -0.125 41.889 42.059 -0.076 0.000 0.908 421 L HN 0.266 nan 8.230 nan 0.000 0.437 422 L N -0.710 120.482 121.223 -0.051 0.000 2.416 422 L HA 0.040 4.380 4.340 0.001 0.000 0.216 422 L C 2.698 179.547 176.870 -0.034 0.000 1.098 422 L CA 1.486 56.310 54.840 -0.026 0.000 0.840 422 L CB -1.043 41.030 42.059 0.023 0.000 0.981 422 L HN 0.164 nan 8.230 nan 0.000 0.462 423 K N 0.934 121.315 120.400 -0.031 0.000 2.074 423 K HA -0.134 4.186 4.320 0.001 0.000 0.209 423 K C -0.036 176.540 176.600 -0.040 0.000 1.048 423 K CA 1.880 58.155 56.287 -0.020 0.000 0.926 423 K CB -2.526 29.969 32.500 -0.009 0.000 0.713 423 K HN 0.441 nan 8.250 nan 0.000 0.444 424 P HA -0.116 nan 4.420 nan 0.000 0.218 424 P C 1.180 178.385 177.300 -0.159 0.000 1.148 424 P CA 0.801 63.846 63.100 -0.091 0.000 0.822 424 P CB 0.087 31.732 31.700 -0.092 0.000 0.784 425 L N -2.019 119.052 121.223 -0.253 0.000 2.265 425 L HA 0.271 4.612 4.340 0.001 0.000 0.195 425 L C 1.039 177.544 176.870 -0.608 0.000 1.083 425 L CA 1.258 55.756 54.840 -0.571 0.000 0.798 425 L CB -0.551 41.027 42.059 -0.802 0.000 0.989 425 L HN -0.203 nan 8.230 nan 0.000 0.472 426 F N 0.509 120.427 119.950 -0.052 0.000 2.622 426 F HA 0.311 4.839 4.527 0.001 0.000 0.338 426 F C -1.553 174.182 175.800 -0.109 0.000 1.334 426 F CA -1.331 56.617 58.000 -0.088 0.000 1.179 426 F CB 0.828 39.740 39.000 -0.147 0.000 1.471 426 F HN -0.003 nan 8.300 nan 0.000 0.576 427 P HA -0.148 nan 4.420 nan 0.000 0.220 427 P C 1.443 178.728 177.300 -0.025 0.000 1.148 427 P CA 1.228 64.354 63.100 0.043 0.000 0.803 427 P CB 0.245 32.002 31.700 0.095 0.000 0.782 428 R N -0.688 119.707 120.500 -0.176 0.000 2.070 428 R HA -0.079 4.262 4.340 0.001 0.000 0.233 428 R C 2.307 178.506 176.300 -0.168 0.000 1.137 428 R CA 1.146 57.083 56.100 -0.271 0.000 0.945 428 R CB -1.110 28.809 30.300 -0.635 0.000 0.845 428 R HN 0.192 nan 8.270 nan 0.000 0.430 429 L N 0.254 121.305 121.223 -0.286 0.000 2.156 429 L HA -0.035 4.306 4.340 0.001 0.000 0.208 429 L C 2.321 179.203 176.870 0.020 0.000 1.095 429 L CA 1.513 56.215 54.840 -0.229 0.000 0.770 429 L CB -0.598 41.259 42.059 -0.338 0.000 0.914 429 L HN 0.157 nan 8.230 nan 0.000 0.439 430 A N -1.290 121.536 122.820 0.011 0.000 2.067 430 A HA 0.138 4.458 4.320 0.001 0.000 0.217 430 A C 2.395 180.005 177.584 0.045 0.000 1.156 430 A CA 1.118 53.167 52.037 0.020 0.000 0.683 430 A CB -0.487 18.518 19.000 0.007 0.000 0.808 430 A HN 0.332 nan 8.150 nan 0.000 0.455 431 A N -1.197 121.670 122.820 0.079 0.000 1.898 431 A HA 0.077 4.398 4.320 0.001 0.000 0.214 431 A C 1.942 179.640 177.584 0.190 0.000 1.183 431 A CA 0.982 53.084 52.037 0.108 0.000 0.622 431 A CB -0.724 18.342 19.000 0.110 0.000 0.824 431 A HN 0.559 nan 8.150 nan 0.000 0.444 432 F N 0.229 120.229 119.950 0.082 0.000 2.147 432 F HA -0.276 4.252 4.527 0.001 0.000 0.301 432 F C 1.857 177.694 175.800 0.062 0.000 1.084 432 F CA 1.590 59.673 58.000 0.138 0.000 1.268 432 F CB 0.023 39.174 39.000 0.251 0.000 1.009 432 F HN 0.184 nan 8.300 nan 0.000 0.486 433 L N -0.596 120.627 121.223 -0.000 0.000 2.145 433 L HA -0.151 4.189 4.340 0.001 0.000 0.201 433 L C 2.242 179.038 176.870 -0.124 0.000 1.075 433 L CA 0.886 55.632 54.840 -0.156 0.000 0.773 433 L CB -0.901 41.086 42.059 -0.121 0.000 0.936 433 L HN 0.100 nan 8.230 nan 0.000 0.451 434 N N 0.137 118.804 118.700 -0.055 0.000 2.334 434 N HA -0.215 4.526 4.740 0.001 0.000 0.187 434 N C 1.790 177.285 175.510 -0.025 0.000 1.016 434 N CA 1.642 54.671 53.050 -0.035 0.000 0.879 434 N CB 0.194 38.677 38.487 -0.007 0.000 0.965 434 N HN 0.404 nan 8.380 nan 0.000 0.438 435 S N -0.413 115.277 115.700 -0.016 0.000 2.470 435 S HA 0.052 4.522 4.470 0.001 0.000 0.225 435 S C 1.689 176.290 174.600 0.001 0.000 1.006 435 S CA 0.059 58.267 58.200 0.012 0.000 0.934 435 S CB -0.122 63.122 63.200 0.074 0.000 0.778 435 S HN 0.263 nan 8.310 nan 0.000 0.517 436 M N 2.272 121.804 119.600 -0.114 0.000 2.633 436 M HA 0.199 4.679 4.480 0.001 0.000 0.226 436 M C 0.862 177.087 176.300 -0.125 0.000 1.137 436 M CA -0.032 55.149 55.300 -0.199 0.000 1.020 436 M CB -0.068 32.276 32.600 -0.428 0.000 1.675 436 M HN 0.239 nan 8.290 nan 0.000 0.500 437 R N 2.345 122.804 120.500 -0.068 0.000 2.347 437 R HA 0.263 4.603 4.340 0.001 0.000 0.304 437 R C -2.940 173.353 176.300 -0.012 0.000 1.072 437 R CA -1.375 54.701 56.100 -0.040 0.000 0.980 437 R CB -0.189 30.095 30.300 -0.027 0.000 0.986 437 R HN -0.067 nan 8.270 nan 0.000 0.448 438 P HA 0.110 nan 4.420 nan 0.000 0.266 438 P C -0.543 176.764 177.300 0.011 0.000 1.215 438 P CA 0.258 63.364 63.100 0.011 0.000 0.763 438 P CB 0.359 32.066 31.700 0.012 0.000 0.806 439 R N 1.512 122.022 120.500 0.015 0.000 2.607 439 R HA 0.562 4.903 4.340 0.001 0.000 0.261 439 R C 0.672 176.970 176.300 -0.003 0.000 1.051 439 R CA -0.643 55.462 56.100 0.008 0.000 1.110 439 R CB 0.927 31.235 30.300 0.015 0.000 1.158 439 R HN 0.480 nan 8.270 nan 0.000 0.543 440 S N -0.045 115.642 115.700 -0.023 0.000 2.693 440 S HA 0.329 4.800 4.470 0.001 0.000 0.276 440 S C 1.092 175.641 174.600 -0.084 0.000 1.192 440 S CA -0.363 57.804 58.200 -0.054 0.000 0.994 440 S CB 1.668 64.825 63.200 -0.072 0.000 1.012 440 S HN 0.694 nan 8.310 nan 0.000 0.550 441 A N 0.273 123.008 122.820 -0.142 0.000 1.978 441 A HA -0.145 4.176 4.320 0.001 0.000 0.220 441 A C 2.085 179.403 177.584 -0.445 0.000 1.170 441 A CA 1.814 53.705 52.037 -0.243 0.000 0.636 441 A CB -1.124 17.695 19.000 -0.301 0.000 0.810 441 A HN 0.983 nan 8.150 nan 0.000 0.448 442 E N -0.421 119.535 120.200 -0.407 0.000 2.051 442 E HA -0.230 4.120 4.350 0.001 0.000 0.192 442 E C 1.819 178.366 176.600 -0.089 0.000 0.991 442 E CA 1.534 57.727 56.400 -0.345 0.000 0.799 442 E CB -0.050 29.514 29.700 -0.227 0.000 0.748 442 E HN 0.505 nan 8.360 nan 0.000 0.449 443 K N 0.308 120.679 120.400 -0.048 0.000 2.296 443 K HA 0.055 4.375 4.320 0.001 0.000 0.200 443 K C 1.892 178.531 176.600 0.065 0.000 1.048 443 K CA 0.121 56.422 56.287 0.023 0.000 0.966 443 K CB 0.029 32.535 32.500 0.011 0.000 0.754 443 K HN 0.136 nan 8.250 nan 0.000 0.466 444 L N -0.550 120.709 121.223 0.060 0.000 2.156 444 L HA -0.141 4.200 4.340 0.001 0.000 0.208 444 L C 1.307 178.343 176.870 0.277 0.000 1.095 444 L CA 1.227 56.147 54.840 0.133 0.000 0.770 444 L CB -0.202 41.929 42.059 0.120 0.000 0.914 444 L HN 0.368 nan 8.230 nan 0.000 0.439 445 W N 0.786 122.109 121.300 0.039 0.000 2.355 445 W HA -0.206 4.454 4.660 0.000 0.000 0.309 445 W C 2.918 179.483 176.519 0.076 0.000 1.206 445 W CA 2.083 59.456 57.345 0.047 0.000 1.284 445 W CB -1.179 28.300 29.460 0.031 0.000 1.145 445 W HN 0.104 nan 8.180 nan 0.000 0.502 446 K N 0.495 121.082 120.400 0.311 0.000 2.063 446 K HA -0.143 4.178 4.320 0.001 0.000 0.208 446 K C 1.991 178.709 176.600 0.197 0.000 1.048 446 K CA 1.813 58.242 56.287 0.236 0.000 0.928 446 K CB -1.279 31.324 32.500 0.171 0.000 0.713 446 K HN 0.335 nan 8.250 nan 0.000 0.442 447 L N 0.102 121.412 121.223 0.146 0.000 2.109 447 L HA -0.112 4.228 4.340 0.001 0.000 0.207 447 L C 2.844 179.764 176.870 0.083 0.000 1.086 447 L CA 1.738 56.628 54.840 0.083 0.000 0.760 447 L CB -0.082 42.000 42.059 0.039 0.000 0.910 447 L HN 0.558 nan 8.230 nan 0.000 0.437 448 Q N -1.190 118.684 119.800 0.124 0.000 2.084 448 Q HA -0.304 4.036 4.340 0.001 0.000 0.202 448 Q C 2.191 178.268 176.000 0.128 0.000 0.978 448 Q CA 2.023 57.890 55.803 0.107 0.000 0.844 448 Q CB -0.147 28.660 28.738 0.114 0.000 0.898 448 Q HN 0.627 nan 8.270 nan 0.000 0.426 449 H N 0.376 119.481 119.070 0.058 0.000 2.353 449 H HA -0.068 4.488 4.556 0.001 0.000 0.300 449 H C 1.421 176.793 175.328 0.073 0.000 1.090 449 H CA 1.941 58.021 56.048 0.053 0.000 1.327 449 H CB 0.159 29.956 29.762 0.058 0.000 1.383 449 H HN 0.290 nan 8.280 nan 0.000 0.508 450 E N -0.429 119.752 120.200 -0.030 0.000 2.204 450 E HA -0.097 4.254 4.350 0.001 0.000 0.195 450 E C 2.169 178.786 176.600 0.028 0.000 0.990 450 E CA 1.000 57.385 56.400 -0.025 0.000 0.821 450 E CB 0.060 29.815 29.700 0.091 0.000 0.750 450 E HN 0.549 nan 8.360 nan 0.000 0.477 451 I N 1.328 121.910 120.570 0.020 0.000 2.406 451 I HA -0.198 3.973 4.170 0.001 0.000 0.249 451 I C 2.622 178.772 176.117 0.055 0.000 1.122 451 I CA 0.889 62.209 61.300 0.033 0.000 1.431 451 I CB -0.241 37.756 38.000 -0.005 0.000 1.087 451 I HN 0.162 nan 8.210 nan 0.000 0.424 452 E N 1.260 121.479 120.200 0.032 0.000 2.204 452 E HA -0.219 4.132 4.350 0.001 0.000 0.194 452 E C 2.158 178.764 176.600 0.011 0.000 0.989 452 E CA 1.006 57.427 56.400 0.036 0.000 0.824 452 E CB -0.130 29.610 29.700 0.067 0.000 0.756 452 E HN 0.469 nan 8.360 nan 0.000 0.477 453 M N -0.085 119.486 119.600 -0.048 0.000 2.156 453 M HA -0.091 4.389 4.480 0.001 0.000 0.264 453 M C 2.176 178.498 176.300 0.037 0.000 1.067 453 M CA 1.339 56.607 55.300 -0.053 0.000 1.131 453 M CB -0.285 32.216 32.600 -0.165 0.000 1.368 453 M HN 0.177 nan 8.290 nan 0.000 0.416 454 Y N 0.689 120.973 120.300 -0.027 0.000 2.145 454 Y HA -0.308 4.242 4.550 0.000 0.000 0.286 454 Y C 2.582 178.476 175.900 -0.011 0.000 1.145 454 Y CA 1.908 60.005 58.100 -0.004 0.000 1.148 454 Y CB -0.185 38.279 38.460 0.008 0.000 0.981 454 Y HN 0.099 nan 8.280 nan 0.000 0.507 455 R N -0.152 120.340 120.500 -0.013 0.000 2.112 455 R HA -0.265 4.075 4.340 0.001 0.000 0.242 455 R C 2.301 178.589 176.300 -0.021 0.000 1.137 455 R CA 2.125 58.196 56.100 -0.049 0.000 0.944 455 R CB -0.296 30.021 30.300 0.029 0.000 0.857 455 R HN 0.309 nan 8.270 nan 0.000 0.435 456 Q N -0.062 119.736 119.800 -0.005 0.000 2.124 456 Q HA -0.119 4.222 4.340 0.001 0.000 0.202 456 Q C 2.162 178.158 176.000 -0.006 0.000 0.977 456 Q CA 2.030 57.838 55.803 0.010 0.000 0.850 456 Q CB -0.215 28.532 28.738 0.015 0.000 0.901 456 Q HN 0.499 nan 8.270 nan 0.000 0.429 457 S N -1.159 114.504 115.700 -0.062 0.000 2.371 457 S HA -0.057 4.413 4.470 0.001 0.000 0.224 457 S C 1.990 176.553 174.600 -0.061 0.000 1.029 457 S CA 1.121 59.280 58.200 -0.068 0.000 0.978 457 S CB -0.473 62.672 63.200 -0.091 0.000 0.833 457 S HN 0.122 nan 8.310 nan 0.000 0.466 458 V N 1.675 121.485 119.914 -0.173 0.000 2.759 458 V HA -0.021 4.099 4.120 0.001 0.000 0.256 458 V C 2.352 178.622 176.094 0.293 0.000 1.080 458 V CA 1.350 63.663 62.300 0.022 0.000 1.101 458 V CB -0.849 30.863 31.823 -0.185 0.000 0.698 458 V HN 0.453 nan 8.190 nan 0.000 0.477 459 I N 0.542 121.224 120.570 0.187 0.000 2.252 459 I HA -0.220 3.951 4.170 0.001 0.000 0.245 459 I C 2.565 178.783 176.117 0.167 0.000 1.102 459 I CA 1.586 62.968 61.300 0.137 0.000 1.385 459 I CB -0.334 37.687 38.000 0.035 0.000 1.064 459 I HN 0.282 nan 8.210 nan 0.000 0.414 460 A N -0.673 122.227 122.820 0.133 0.000 1.968 460 A HA -0.201 4.119 4.320 0.001 0.000 0.217 460 A C 2.245 179.935 177.584 0.176 0.000 1.169 460 A CA 1.117 53.227 52.037 0.122 0.000 0.638 460 A CB -0.457 18.585 19.000 0.071 0.000 0.812 460 A HN 0.431 nan 8.150 nan 0.000 0.446 461 Q N -1.432 118.508 119.800 0.233 0.000 2.050 461 Q HA -0.194 4.146 4.340 0.001 0.000 0.202 461 Q C 2.005 178.320 176.000 0.525 0.000 0.980 461 Q CA 1.467 57.467 55.803 0.327 0.000 0.840 461 Q CB -0.242 28.695 28.738 0.332 0.000 0.898 461 Q HN 0.915 nan 8.270 nan 0.000 0.424 462 W N 1.547 123.013 121.300 0.276 0.000 2.342 462 W HA -0.194 4.467 4.660 0.001 0.000 0.297 462 W C 1.339 177.840 176.519 -0.029 0.000 1.213 462 W CA 1.230 58.559 57.345 -0.027 0.000 1.251 462 W CB 0.075 29.477 29.460 -0.097 0.000 1.136 462 W HN 0.059 nan 8.180 nan 0.000 0.526 463 K N -0.000 120.589 120.400 0.316 0.000 2.186 463 K HA -0.012 4.308 4.320 0.001 0.000 0.202 463 K C 2.155 178.825 176.600 0.117 0.000 1.052 463 K CA 1.106 57.509 56.287 0.193 0.000 0.965 463 K CB -0.781 31.806 32.500 0.144 0.000 0.746 463 K HN 0.086 nan 8.250 nan 0.000 0.457 464 A N 0.904 123.801 122.820 0.129 0.000 2.024 464 A HA -0.132 4.188 4.320 0.001 0.000 0.220 464 A C 2.032 179.662 177.584 0.078 0.000 1.164 464 A CA 1.422 53.516 52.037 0.095 0.000 0.643 464 A CB -0.248 18.812 19.000 0.101 0.000 0.806 464 A HN 0.210 nan 8.150 nan 0.000 0.451 465 M N -1.916 117.734 119.600 0.083 0.000 2.441 465 M HA 0.228 4.709 4.480 0.001 0.000 0.244 465 M C 0.546 176.816 176.300 -0.049 0.000 1.122 465 M CA 0.332 55.651 55.300 0.032 0.000 1.041 465 M CB -0.207 32.439 32.600 0.076 0.000 1.438 465 M HN 0.523 nan 8.290 nan 0.000 0.484 466 N N 0.365 119.043 118.700 -0.036 0.000 2.735 466 N HA -0.166 4.575 4.740 0.001 0.000 0.248 466 N C -1.006 174.431 175.510 -0.121 0.000 1.083 466 N CA 0.016 53.044 53.050 -0.037 0.000 0.703 466 N CB -0.841 37.638 38.487 -0.013 0.000 1.005 466 N HN 0.362 nan 8.380 nan 0.000 0.550 467 L N -0.672 120.363 121.223 -0.314 0.000 2.476 467 L HA 0.111 4.452 4.340 0.001 0.000 0.264 467 L C 1.221 177.943 176.870 -0.247 0.000 1.224 467 L CA 0.073 54.599 54.840 -0.524 0.000 0.821 467 L CB 0.307 41.596 42.059 -1.283 0.000 1.101 467 L HN 0.211 nan 8.230 nan 0.000 0.488 468 D N -0.429 119.833 120.400 -0.231 0.000 2.469 468 D HA 0.238 4.879 4.640 0.001 0.000 0.240 468 D C -0.110 176.198 176.300 0.014 0.000 1.087 468 D CA 0.601 54.581 54.000 -0.034 0.000 0.876 468 D CB 1.754 42.504 40.800 -0.084 0.000 1.160 468 D HN 0.177 nan 8.370 nan 0.000 0.497 469 V N 0.579 120.335 119.914 -0.264 0.000 3.282 469 V HA 0.371 4.491 4.120 0.001 0.000 0.295 469 V C -2.024 173.715 176.094 -0.592 0.000 1.451 469 V CA -0.841 61.271 62.300 -0.314 0.000 1.062 469 V CB 3.277 34.748 31.823 -0.586 0.000 1.128 469 V HN -0.048 nan 8.190 nan 0.000 0.456 470 L N 2.603 123.583 121.223 -0.405 0.000 2.470 470 L HA 0.766 5.107 4.340 0.001 0.000 0.268 470 L C -1.396 175.405 176.870 -0.115 0.000 0.964 470 L CA -0.173 54.486 54.840 -0.302 0.000 0.839 470 L CB 1.628 43.585 42.059 -0.170 0.000 1.276 470 L HN 0.640 nan 8.230 nan 0.000 0.403 471 L N 3.822 125.017 121.223 -0.047 0.000 2.344 471 L HA 0.892 5.232 4.340 0.001 0.000 0.272 471 L C -0.547 176.235 176.870 -0.147 0.000 1.035 471 L CA 0.447 55.316 54.840 0.048 0.000 0.807 471 L CB 2.006 44.160 42.059 0.159 0.000 1.237 471 L HN 0.767 nan 8.230 nan 0.000 0.442 472 T N 4.021 118.458 114.554 -0.195 0.000 3.047 472 T HA 0.387 4.737 4.350 0.001 0.000 0.340 472 T C -2.933 171.633 174.700 -0.224 0.000 1.421 472 T CA -0.606 61.240 62.100 -0.423 0.000 1.090 472 T CB 2.065 70.760 68.868 -0.288 0.000 1.292 472 T HN 0.402 nan 8.240 nan 0.000 0.480 473 P HA 0.393 nan 4.420 nan 0.000 0.271 473 P C -0.906 176.199 177.300 -0.325 0.000 1.218 473 P CA -0.616 62.326 63.100 -0.263 0.000 0.780 473 P CB 0.566 32.072 31.700 -0.323 0.000 0.901 474 M N 3.750 123.231 119.600 -0.197 0.000 2.336 474 M HA 0.243 4.724 4.480 0.001 0.000 0.342 474 M C -0.424 175.845 176.300 -0.050 0.000 1.128 474 M CA -1.246 53.988 55.300 -0.111 0.000 1.016 474 M CB 0.671 33.244 32.600 -0.046 0.000 1.665 474 M HN 0.166 nan 8.290 nan 0.000 0.445 475 L N 6.192 127.461 121.223 0.078 0.000 2.980 475 L HA 0.102 4.442 4.340 0.001 0.000 0.297 475 L C 0.500 177.532 176.870 0.269 0.000 1.024 475 L CA 1.823 56.822 54.840 0.266 0.000 1.118 475 L CB -2.030 40.356 42.059 0.545 0.000 1.559 475 L HN 1.043 nan 8.230 nan 0.000 0.427 476 G N 5.605 114.463 108.800 0.096 0.000 2.856 476 G HA2 -0.202 3.758 3.960 0.001 0.000 0.674 476 G HA3 -0.202 3.758 3.960 0.001 0.000 0.674 476 G C -2.614 172.210 174.900 -0.127 0.000 1.519 476 G CA -0.577 44.521 45.100 -0.003 0.000 0.940 476 G HN 0.614 nan 8.290 nan 0.000 0.564 477 P HA 0.415 nan 4.420 nan 0.000 0.269 477 P C 0.558 177.522 177.300 -0.561 0.000 1.215 477 P CA 0.661 63.577 63.100 -0.307 0.000 0.780 477 P CB 0.340 31.903 31.700 -0.228 0.000 0.898 478 A N 2.680 125.052 122.820 -0.748 0.000 2.584 478 A HA 0.043 4.364 4.320 0.001 0.000 0.239 478 A C 0.386 177.625 177.584 -0.575 0.000 1.043 478 A CA 0.121 51.491 52.037 -1.111 0.000 0.756 478 A CB -0.790 17.910 19.000 -0.500 0.000 0.963 478 A HN 0.454 nan 8.150 nan 0.000 0.511 479 L N 2.252 123.202 121.223 -0.455 0.000 2.472 479 L HA 0.173 4.513 4.340 0.001 0.000 0.260 479 L C 0.794 177.615 176.870 -0.081 0.000 1.209 479 L CA 0.325 55.084 54.840 -0.135 0.000 0.817 479 L CB 0.095 42.167 42.059 0.022 0.000 1.106 479 L HN 0.682 nan 8.230 nan 0.000 0.479 480 D N 0.102 120.461 120.400 -0.068 0.000 2.346 480 D HA -0.045 4.596 4.640 0.001 0.000 0.236 480 D C 1.059 177.335 176.300 -0.040 0.000 1.259 480 D CA -0.232 53.739 54.000 -0.048 0.000 0.898 480 D CB 0.503 41.275 40.800 -0.046 0.000 1.178 480 D HN 0.273 nan 8.370 nan 0.000 0.457 481 L N 1.245 122.451 121.223 -0.028 0.000 2.217 481 L HA -0.035 4.305 4.340 0.001 0.000 0.211 481 L C 0.972 177.818 176.870 -0.040 0.000 1.107 481 L CA 1.599 56.427 54.840 -0.021 0.000 0.783 481 L CB -0.403 41.651 42.059 -0.010 0.000 0.919 481 L HN 0.285 nan 8.230 nan 0.000 0.442 482 N N -1.533 117.137 118.700 -0.050 0.000 2.416 482 N HA 0.116 4.857 4.740 0.001 0.000 0.267 482 N C 1.019 176.477 175.510 -0.087 0.000 1.294 482 N CA 0.795 53.807 53.050 -0.063 0.000 0.891 482 N CB 0.570 39.034 38.487 -0.039 0.000 1.238 482 N HN 0.386 nan 8.380 nan 0.000 0.508 483 T N -3.455 111.029 114.554 -0.117 0.000 3.034 483 T HA 0.174 4.524 4.350 0.001 0.000 0.248 483 T C -1.020 173.541 174.700 -0.232 0.000 1.040 483 T CA 0.139 62.163 62.100 -0.127 0.000 1.107 483 T CB -0.627 68.194 68.868 -0.079 0.000 0.932 483 T HN -0.127 nan 8.240 nan 0.000 0.474 484 P HA -0.098 nan 4.420 nan 0.000 0.218 484 P C 1.844 178.771 177.300 -0.621 0.000 1.152 484 P CA 1.724 64.224 63.100 -1.000 0.000 0.857 484 P CB -0.683 30.025 31.700 -1.654 0.000 0.787 485 G N -0.286 108.305 108.800 -0.348 0.000 2.422 485 G HA2 -0.214 3.746 3.960 0.001 0.000 0.218 485 G HA3 -0.214 3.746 3.960 0.001 0.000 0.218 485 G C 1.427 176.271 174.900 -0.093 0.000 1.140 485 G CA 0.253 45.257 45.100 -0.161 0.000 0.775 485 G HN 0.264 nan 8.290 nan 0.000 0.545 486 R N 0.457 120.906 120.500 -0.085 0.000 2.313 486 R HA 0.269 4.609 4.340 0.001 0.000 0.199 486 R C 0.910 177.213 176.300 0.006 0.000 0.958 486 R CA 0.645 56.748 56.100 0.006 0.000 1.047 486 R CB 0.268 30.580 30.300 0.020 0.000 0.955 486 R HN 0.299 nan 8.270 nan 0.000 0.481 487 A N 0.320 123.035 122.820 -0.175 0.000 2.806 487 A HA 0.201 4.521 4.320 0.001 0.000 0.266 487 A C 0.883 178.173 177.584 -0.489 0.000 0.926 487 A CA -0.420 51.478 52.037 -0.231 0.000 1.068 487 A CB 0.278 19.276 19.000 -0.003 0.000 1.189 487 A HN -0.047 nan 8.150 nan 0.000 0.481 488 T N -0.294 113.599 114.554 -1.101 0.000 2.803 488 T HA -0.106 4.244 4.350 0.001 0.000 0.269 488 T C 1.983 176.118 174.700 -0.942 0.000 1.052 488 T CA 2.204 63.728 62.100 -0.959 0.000 1.136 488 T CB -0.023 68.190 68.868 -1.093 0.000 0.864 488 T HN 0.653 nan 8.240 nan 0.000 0.467 489 G N 0.569 108.586 108.800 -1.305 0.000 2.484 489 G HA2 0.089 4.050 3.960 0.001 0.000 0.218 489 G HA3 0.089 4.050 3.960 0.001 0.000 0.218 489 G C 1.669 176.526 174.900 -0.071 0.000 1.130 489 G CA 0.637 45.468 45.100 -0.448 0.000 0.784 489 G HN 0.554 nan 8.290 nan 0.000 0.543 490 A N 1.324 124.102 122.820 -0.070 0.000 2.178 490 A HA 0.025 4.345 4.320 0.001 0.000 0.218 490 A C 2.201 179.795 177.584 0.016 0.000 1.157 490 A CA 1.096 53.179 52.037 0.077 0.000 0.689 490 A CB -0.497 18.595 19.000 0.154 0.000 0.787 490 A HN 0.813 nan 8.150 nan 0.000 0.465 491 I N -1.480 119.000 120.570 -0.149 0.000 3.334 491 I HA -0.072 4.098 4.170 0.001 0.000 0.282 491 I C 1.909 178.032 176.117 0.010 0.000 1.313 491 I CA 1.134 62.431 61.300 -0.004 0.000 1.396 491 I CB -0.469 37.468 38.000 -0.105 0.000 1.054 491 I HN 0.265 nan 8.210 nan 0.000 0.495 492 S N 1.232 116.912 115.700 -0.034 0.000 2.383 492 S HA -0.256 4.215 4.470 0.001 0.000 0.229 492 S C 1.820 176.322 174.600 -0.164 0.000 1.030 492 S CA 1.159 59.255 58.200 -0.174 0.000 1.002 492 S CB -1.019 62.062 63.200 -0.198 0.000 0.829 492 S HN 0.660 nan 8.310 nan 0.000 0.467 493 Y N 2.896 123.255 120.300 0.099 0.000 2.439 493 Y HA 0.026 4.577 4.550 0.001 0.000 0.292 493 Y C 3.010 179.004 175.900 0.155 0.000 1.130 493 Y CA 1.230 59.432 58.100 0.169 0.000 1.254 493 Y CB -0.526 38.051 38.460 0.194 0.000 1.000 493 Y HN 0.641 nan 8.280 nan 0.000 0.554 494 T N -5.418 109.216 114.554 0.133 0.000 3.056 494 T HA 0.020 4.371 4.350 0.001 0.000 0.243 494 T C 1.784 176.490 174.700 0.010 0.000 0.995 494 T CA 0.611 62.730 62.100 0.032 0.000 1.091 494 T CB -0.813 67.868 68.868 -0.311 0.000 0.990 494 T HN 0.056 nan 8.240 nan 0.000 0.464 495 V N 1.720 121.598 119.914 -0.060 0.000 2.759 495 V HA 0.080 4.201 4.120 0.001 0.000 0.256 495 V C 2.293 178.289 176.094 -0.164 0.000 1.080 495 V CA 1.192 63.431 62.300 -0.102 0.000 1.101 495 V CB -0.523 31.229 31.823 -0.118 0.000 0.698 495 V HN 0.499 nan 8.190 nan 0.000 0.477 496 L N -0.407 120.674 121.223 -0.236 0.000 2.127 496 L HA -0.150 4.190 4.340 0.001 0.000 0.211 496 L C 1.963 178.533 176.870 -0.501 0.000 1.089 496 L CA 2.236 56.834 54.840 -0.403 0.000 0.757 496 L CB -0.587 41.158 42.059 -0.523 0.000 0.899 496 L HN 0.460 nan 8.230 nan 0.000 0.434 497 Y N -0.999 119.261 120.300 -0.067 0.000 2.500 497 Y HA 0.106 4.657 4.550 0.001 0.000 0.270 497 Y C 2.328 178.175 175.900 -0.089 0.000 1.134 497 Y CA 0.319 58.367 58.100 -0.085 0.000 1.293 497 Y CB -0.548 37.929 38.460 0.029 0.000 1.063 497 Y HN 0.288 nan 8.280 nan 0.000 0.534 498 N N -0.796 117.902 118.700 -0.003 0.000 2.207 498 N HA -0.178 4.562 4.740 0.001 0.000 0.182 498 N C 1.989 177.449 175.510 -0.084 0.000 1.020 498 N CA 1.399 54.425 53.050 -0.040 0.000 0.858 498 N CB -0.557 37.895 38.487 -0.057 0.000 0.991 498 N HN 0.371 nan 8.380 nan 0.000 0.427 499 C N 1.378 120.599 119.300 -0.132 0.000 2.429 499 C HA 0.050 4.510 4.460 0.001 0.000 0.277 499 C C 2.628 177.544 174.990 -0.125 0.000 1.262 499 C CA 0.320 59.253 59.018 -0.142 0.000 1.733 499 C CB -1.184 26.439 27.740 -0.196 0.000 2.010 499 C HN 0.345 nan 8.230 nan 0.000 0.483 500 L N 0.106 121.206 121.223 -0.205 0.000 2.313 500 L HA 0.054 4.394 4.340 0.001 0.000 0.214 500 L C 0.841 177.566 176.870 -0.243 0.000 1.119 500 L CA 1.439 56.070 54.840 -0.349 0.000 0.809 500 L CB -0.396 41.139 42.059 -0.872 0.000 0.933 500 L HN 0.396 nan 8.230 nan 0.000 0.449 501 D N -0.151 120.186 120.400 -0.105 0.000 2.760 501 D HA -0.234 4.406 4.640 0.001 0.000 0.244 501 D C -0.584 175.830 176.300 0.190 0.000 1.123 501 D CA 0.580 54.583 54.000 0.004 0.000 0.719 501 D CB -1.267 39.509 40.800 -0.039 0.000 1.045 501 D HN 0.126 nan 8.370 nan 0.000 0.426 502 F N -0.269 119.655 119.950 -0.043 0.000 2.492 502 F HA 0.472 4.999 4.527 0.000 0.000 0.327 502 F C -1.535 174.214 175.800 -0.084 0.000 1.079 502 F CA -2.623 55.327 58.000 -0.083 0.000 0.967 502 F CB 1.915 40.942 39.000 0.045 0.000 1.169 502 F HN -0.183 nan 8.300 nan 0.000 0.472 503 P HA 0.110 nan 4.420 nan 0.000 0.267 503 P C -1.204 176.111 177.300 0.025 0.000 1.209 503 P CA 0.175 63.279 63.100 0.006 0.000 0.763 503 P CB 0.699 32.380 31.700 -0.032 0.000 0.816 504 A N 3.171 126.002 122.820 0.017 0.000 2.435 504 A HA 0.875 5.196 4.320 0.001 0.000 0.304 504 A C -0.410 177.167 177.584 -0.012 0.000 1.064 504 A CA -0.512 51.510 52.037 -0.026 0.000 0.727 504 A CB 1.952 20.920 19.000 -0.054 0.000 1.284 504 A HN 0.542 nan 8.150 nan 0.000 0.415 505 G N -0.540 108.250 108.800 -0.017 0.000 2.733 505 G HA2 0.586 4.547 3.960 0.001 0.000 0.297 505 G HA3 0.586 4.547 3.960 0.001 0.000 0.297 505 G C -1.901 172.988 174.900 -0.018 0.000 1.422 505 G CA -0.401 44.697 45.100 -0.003 0.000 0.942 505 G HN 1.036 nan 8.290 nan 0.000 0.510 506 V N 1.158 121.060 119.914 -0.020 0.000 2.487 506 V HA 0.717 4.838 4.120 0.001 0.000 0.298 506 V C -0.496 175.587 176.094 -0.017 0.000 1.028 506 V CA -0.802 61.482 62.300 -0.026 0.000 0.860 506 V CB 1.604 33.407 31.823 -0.032 0.000 0.991 506 V HN 0.923 nan 8.190 nan 0.000 0.427 507 V N 7.713 127.608 119.914 -0.032 0.000 2.531 507 V HA 0.745 4.866 4.120 0.001 0.000 0.301 507 V C -2.553 173.521 176.094 -0.033 0.000 1.034 507 V CA -2.244 60.036 62.300 -0.032 0.000 0.865 507 V CB 2.752 34.538 31.823 -0.062 0.000 0.995 507 V HN 0.761 nan 8.190 nan 0.000 0.424 508 P HA 0.253 nan 4.420 nan 0.000 0.276 508 P C 0.342 177.621 177.300 -0.036 0.000 1.230 508 P CA 0.190 63.278 63.100 -0.020 0.000 0.776 508 P CB 1.608 33.309 31.700 0.003 0.000 0.888 509 V N -0.409 119.475 119.914 -0.050 0.000 3.431 509 V HA 0.329 4.450 4.120 0.001 0.000 0.255 509 V C 0.637 176.700 176.094 -0.052 0.000 1.403 509 V CA 0.823 63.091 62.300 -0.054 0.000 1.101 509 V CB 0.310 32.094 31.823 -0.064 0.000 0.891 509 V HN 0.674 nan 8.190 nan 0.000 0.446 510 T N 0.507 115.022 114.554 -0.065 0.000 2.693 510 T HA 0.572 4.922 4.350 0.001 0.000 0.304 510 T C -0.939 173.696 174.700 -0.107 0.000 1.471 510 T CA 0.529 62.587 62.100 -0.069 0.000 0.993 510 T CB 1.703 70.536 68.868 -0.058 0.000 1.554 510 T HN 0.925 nan 8.240 nan 0.000 0.496 511 T N -0.450 114.039 114.554 -0.108 0.000 2.908 511 T HA 0.675 5.025 4.350 0.001 0.000 0.290 511 T C -0.369 174.263 174.700 -0.113 0.000 1.034 511 T CA -0.647 61.361 62.100 -0.153 0.000 1.010 511 T CB 1.126 69.889 68.868 -0.174 0.000 1.068 511 T HN 0.565 nan 8.240 nan 0.000 0.481 512 V N 4.243 124.080 119.914 -0.129 0.000 2.458 512 V HA 0.248 4.368 4.120 0.001 0.000 0.287 512 V C 1.595 177.648 176.094 -0.068 0.000 1.009 512 V CA 0.147 62.391 62.300 -0.094 0.000 1.091 512 V CB -0.446 31.312 31.823 -0.108 0.000 0.960 512 V HN 1.194 nan 8.190 nan 0.000 0.476 513 T N 2.901 117.426 114.554 -0.048 0.000 2.770 513 T HA 0.511 4.861 4.350 0.001 0.000 0.281 513 T C 1.480 176.163 174.700 -0.027 0.000 0.981 513 T CA -0.047 62.034 62.100 -0.032 0.000 0.955 513 T CB 1.330 70.185 68.868 -0.023 0.000 1.060 513 T HN 0.706 nan 8.240 nan 0.000 0.531 514 A N 0.501 123.311 122.820 -0.018 0.000 1.892 514 A HA 0.013 4.334 4.320 0.001 0.000 0.218 514 A C 2.593 180.169 177.584 -0.012 0.000 1.188 514 A CA 2.353 54.382 52.037 -0.013 0.000 0.631 514 A CB -1.881 17.114 19.000 -0.008 0.000 0.822 514 A HN 1.189 nan 8.150 nan 0.000 0.447 515 E N -0.005 120.190 120.200 -0.010 0.000 2.418 515 E HA -0.119 4.232 4.350 0.001 0.000 0.197 515 E C 1.443 178.040 176.600 -0.005 0.000 1.026 515 E CA 1.250 57.647 56.400 -0.005 0.000 0.862 515 E CB -0.622 29.077 29.700 -0.002 0.000 0.799 515 E HN 0.757 nan 8.360 nan 0.000 0.518 516 D N 0.209 120.600 120.400 -0.014 0.000 2.162 516 D HA -0.074 4.567 4.640 0.001 0.000 0.205 516 D C 1.377 177.664 176.300 -0.022 0.000 0.964 516 D CA 1.299 55.289 54.000 -0.016 0.000 0.847 516 D CB -0.324 40.459 40.800 -0.029 0.000 0.988 516 D HN 0.393 nan 8.370 nan 0.000 0.480 517 D N 0.627 121.010 120.400 -0.030 0.000 2.219 517 D HA -0.026 4.615 4.640 0.001 0.000 0.205 517 D C 1.937 178.225 176.300 -0.021 0.000 0.970 517 D CA 0.894 54.873 54.000 -0.034 0.000 0.851 517 D CB 0.131 40.909 40.800 -0.037 0.000 0.943 517 D HN 0.079 nan 8.370 nan 0.000 0.488 518 A N -0.191 122.622 122.820 -0.011 0.000 1.897 518 A HA -0.057 4.263 4.320 0.001 0.000 0.215 518 A C 2.272 179.860 177.584 0.006 0.000 1.181 518 A CA 2.041 54.076 52.037 -0.002 0.000 0.620 518 A CB -1.167 17.833 19.000 -0.000 0.000 0.821 518 A HN 0.327 nan 8.150 nan 0.000 0.443 519 Q N -1.379 118.427 119.800 0.010 0.000 2.482 519 Q HA 0.254 4.595 4.340 0.001 0.000 0.209 519 Q C 1.755 177.781 176.000 0.043 0.000 0.961 519 Q CA 1.455 57.274 55.803 0.027 0.000 0.945 519 Q CB -0.860 27.896 28.738 0.030 0.000 1.012 519 Q HN 0.644 nan 8.270 nan 0.000 0.515 520 M N 1.006 120.616 119.600 0.018 0.000 2.229 520 M HA 0.001 4.481 4.480 0.001 0.000 0.264 520 M C 2.153 178.471 176.300 0.030 0.000 1.063 520 M CA 1.931 57.232 55.300 0.001 0.000 1.114 520 M CB -0.299 32.266 32.600 -0.058 0.000 1.387 520 M HN 0.581 nan 8.290 nan 0.000 0.420 521 E N -0.553 119.663 120.200 0.026 0.000 2.478 521 E HA 0.223 4.573 4.350 0.001 0.000 0.198 521 E C 1.439 178.074 176.600 0.060 0.000 1.046 521 E CA 1.192 57.614 56.400 0.036 0.000 0.870 521 E CB -1.397 28.315 29.700 0.019 0.000 0.818 521 E HN 0.647 nan 8.360 nan 0.000 0.527 522 L N -0.470 120.796 121.223 0.072 0.000 2.912 522 L HA 0.685 5.025 4.340 0.001 0.000 0.240 522 L C 0.454 177.388 176.870 0.107 0.000 1.262 522 L CA -0.443 54.439 54.840 0.070 0.000 1.058 522 L CB -1.320 40.767 42.059 0.046 0.000 1.383 522 L HN 0.509 nan 8.230 nan 0.000 0.512 523 Y N 0.928 121.219 120.300 -0.015 0.000 2.330 523 Y HA 0.630 5.180 4.550 0.001 0.000 0.336 523 Y C 0.210 176.094 175.900 -0.028 0.000 1.036 523 Y CA -0.200 57.884 58.100 -0.027 0.000 1.125 523 Y CB 0.926 39.372 38.460 -0.023 0.000 1.194 523 Y HN 0.351 nan 8.280 nan 0.000 0.469 524 K N 3.453 123.684 120.400 -0.281 0.000 2.468 524 K HA 0.713 5.034 4.320 0.001 0.000 0.252 524 K C -0.112 176.128 176.600 -0.599 0.000 0.932 524 K CA -0.450 55.678 56.287 -0.264 0.000 0.794 524 K CB 1.042 33.472 32.500 -0.116 0.000 1.241 524 K HN 1.104 nan 8.250 nan 0.000 0.428 525 G N -0.289 108.247 108.800 -0.439 0.000 2.684 525 G HA2 0.390 4.350 3.960 0.001 0.000 0.255 525 G HA3 0.390 4.350 3.960 0.001 0.000 0.255 525 G C 0.133 174.860 174.900 -0.287 0.000 1.219 525 G CA -0.073 44.767 45.100 -0.433 0.000 0.901 525 G HN 0.660 nan 8.290 nan 0.000 0.548 526 Y N -0.989 119.254 120.300 -0.096 0.000 2.616 526 Y HA 0.154 4.704 4.550 0.001 0.000 0.296 526 Y C 1.637 177.209 175.900 -0.546 0.000 1.154 526 Y CA 0.549 58.467 58.100 -0.304 0.000 1.325 526 Y CB -0.051 38.189 38.460 -0.366 0.000 1.007 526 Y HN 0.425 nan 8.280 nan 0.000 0.542 527 F N -2.678 117.301 119.950 0.050 0.000 2.856 527 F HA 0.355 4.883 4.527 0.001 0.000 0.338 527 F C 1.963 177.788 175.800 0.043 0.000 1.005 527 F CA 0.369 58.383 58.000 0.022 0.000 1.155 527 F CB 0.353 39.329 39.000 -0.041 0.000 1.010 527 F HN -0.106 nan 8.300 nan 0.000 0.587 528 G N 1.408 110.312 108.800 0.172 0.000 2.196 528 G HA2 -0.375 3.585 3.960 0.001 0.000 0.268 528 G HA3 -0.375 3.585 3.960 0.001 0.000 0.268 528 G C 0.068 175.031 174.900 0.106 0.000 0.975 528 G CA 0.767 45.941 45.100 0.124 0.000 0.648 528 G HN 0.491 nan 8.290 nan 0.000 0.538 529 D N -0.359 120.067 120.400 0.044 0.000 2.398 529 D HA 0.392 5.033 4.640 0.001 0.000 0.264 529 D C 2.031 178.156 176.300 -0.292 0.000 1.263 529 D CA -0.221 53.592 54.000 -0.311 0.000 1.037 529 D CB 0.115 40.625 40.800 -0.484 0.000 1.101 529 D HN 0.423 nan 8.370 nan 0.000 0.551 530 I N -1.523 118.757 120.570 -0.485 0.000 2.928 530 I HA -0.050 4.120 4.170 0.001 0.000 0.266 530 I C 0.591 176.693 176.117 -0.025 0.000 1.234 530 I CA 0.535 61.672 61.300 -0.271 0.000 1.483 530 I CB -0.727 37.080 38.000 -0.323 0.000 1.097 530 I HN 0.403 nan 8.210 nan 0.000 0.455 531 W N 2.009 123.243 121.300 -0.110 0.000 2.409 531 W HA -0.057 4.603 4.660 0.000 0.000 0.299 531 W C 2.247 178.776 176.519 0.017 0.000 1.203 531 W CA 0.591 57.904 57.345 -0.053 0.000 1.298 531 W CB -1.418 27.997 29.460 -0.075 0.000 1.127 531 W HN 0.235 nan 8.180 nan 0.000 0.528 532 D N 0.212 120.760 120.400 0.248 0.000 2.178 532 D HA -0.140 4.501 4.640 0.001 0.000 0.201 532 D C 2.121 178.551 176.300 0.216 0.000 0.980 532 D CA 1.183 55.333 54.000 0.249 0.000 0.842 532 D CB -0.135 40.778 40.800 0.187 0.000 0.948 532 D HN 0.030 nan 8.370 nan 0.000 0.472 533 I N 0.629 121.272 120.570 0.123 0.000 2.202 533 I HA -0.167 4.003 4.170 0.001 0.000 0.242 533 I C 2.572 178.735 176.117 0.076 0.000 1.091 533 I CA 0.638 61.991 61.300 0.088 0.000 1.368 533 I CB -0.983 37.038 38.000 0.035 0.000 1.058 533 I HN -0.026 nan 8.210 nan 0.000 0.410 534 I N 0.255 120.875 120.570 0.083 0.000 2.286 534 I HA -0.275 3.895 4.170 0.001 0.000 0.248 534 I C 2.400 178.537 176.117 0.034 0.000 1.115 534 I CA 0.941 62.276 61.300 0.058 0.000 1.392 534 I CB -0.161 37.888 38.000 0.081 0.000 1.065 534 I HN 0.122 nan 8.210 nan 0.000 0.418 535 L N 0.639 121.898 121.223 0.060 0.000 2.141 535 L HA -0.202 4.139 4.340 0.001 0.000 0.209 535 L C 2.359 179.136 176.870 -0.155 0.000 1.094 535 L CA 1.759 56.595 54.840 -0.007 0.000 0.763 535 L CB -0.786 41.317 42.059 0.073 0.000 0.908 535 L HN 0.153 nan 8.230 nan 0.000 0.437 536 K N 0.217 120.555 120.400 -0.104 0.000 2.026 536 K HA -0.170 4.150 4.320 0.001 0.000 0.208 536 K C 2.105 178.641 176.600 -0.107 0.000 1.048 536 K CA 2.171 58.368 56.287 -0.149 0.000 0.929 536 K CB -0.171 32.365 32.500 0.060 0.000 0.713 536 K HN 0.173 nan 8.250 nan 0.000 0.439 537 K N -0.106 120.263 120.400 -0.051 0.000 2.366 537 K HA 0.237 4.557 4.320 0.001 0.000 0.198 537 K C 1.903 178.468 176.600 -0.058 0.000 1.044 537 K CA 1.099 57.360 56.287 -0.043 0.000 0.973 537 K CB -0.399 32.090 32.500 -0.019 0.000 0.767 537 K HN 0.427 nan 8.250 nan 0.000 0.475 538 A N -0.203 122.574 122.820 -0.073 0.000 2.044 538 A HA 0.282 4.603 4.320 0.001 0.000 0.213 538 A C 2.171 179.691 177.584 -0.106 0.000 1.169 538 A CA 0.897 52.889 52.037 -0.075 0.000 0.724 538 A CB 0.038 19.003 19.000 -0.058 0.000 0.840 538 A HN 0.400 nan 8.150 nan 0.000 0.463 539 M N 0.134 119.650 119.600 -0.141 0.000 2.502 539 M HA 0.084 4.564 4.480 0.001 0.000 0.243 539 M C 1.232 177.444 176.300 -0.146 0.000 1.130 539 M CA 0.484 55.683 55.300 -0.169 0.000 1.055 539 M CB -0.375 32.092 32.600 -0.222 0.000 1.457 539 M HN 0.368 nan 8.290 nan 0.000 0.488 540 K N 1.304 121.633 120.400 -0.119 0.000 2.276 540 K HA 0.079 4.400 4.320 0.001 0.000 0.259 540 K C 0.613 177.169 176.600 -0.073 0.000 1.001 540 K CA 0.007 56.243 56.287 -0.086 0.000 0.927 540 K CB -0.182 32.279 32.500 -0.065 0.000 0.969 540 K HN 0.421 nan 8.250 nan 0.000 0.490 541 N N -0.583 118.083 118.700 -0.057 0.000 2.780 541 N HA -0.148 4.592 4.740 0.001 0.000 0.247 541 N C -0.378 175.101 175.510 -0.051 0.000 1.076 541 N CA 1.211 54.234 53.050 -0.044 0.000 0.688 541 N CB -1.661 36.805 38.487 -0.034 0.000 0.957 541 N HN 0.664 nan 8.380 nan 0.000 0.551 542 S N -2.065 113.596 115.700 -0.065 0.000 2.855 542 S HA 0.217 4.688 4.470 0.001 0.000 0.249 542 S C 0.223 174.774 174.600 -0.081 0.000 1.033 542 S CA -0.337 57.813 58.200 -0.083 0.000 1.038 542 S CB 0.878 64.003 63.200 -0.125 0.000 0.960 542 S HN 0.189 nan 8.310 nan 0.000 0.548 543 V N 2.900 122.782 119.914 -0.054 0.000 2.555 543 V HA 0.230 4.350 4.120 0.001 0.000 0.299 543 V C 1.548 177.616 176.094 -0.042 0.000 1.012 543 V CA 1.587 63.861 62.300 -0.044 0.000 1.180 543 V CB -0.635 31.175 31.823 -0.021 0.000 0.887 543 V HN 0.847 nan 8.190 nan 0.000 0.476 544 G N 4.005 112.763 108.800 -0.070 0.000 2.176 544 G HA2 -0.200 3.760 3.960 0.001 0.000 0.253 544 G HA3 -0.200 3.760 3.960 0.001 0.000 0.253 544 G C 0.100 174.872 174.900 -0.212 0.000 0.979 544 G CA -0.058 44.995 45.100 -0.078 0.000 0.641 544 G HN 0.546 nan 8.290 nan 0.000 0.530 545 L N 2.292 123.364 121.223 -0.252 0.000 2.397 545 L HA 0.347 4.687 4.340 0.001 0.000 0.271 545 L C -1.368 175.200 176.870 -0.502 0.000 1.148 545 L CA -1.524 53.047 54.840 -0.449 0.000 0.825 545 L CB 0.699 42.586 42.059 -0.287 0.000 1.117 545 L HN 0.028 nan 8.230 nan 0.000 0.456 546 P HA 0.185 nan 4.420 nan 0.000 0.274 546 P C -0.861 176.281 177.300 -0.262 0.000 1.231 546 P CA -0.242 62.572 63.100 -0.477 0.000 0.790 546 P CB 1.477 32.863 31.700 -0.524 0.000 0.951 547 V N 1.103 120.913 119.914 -0.172 0.000 2.864 547 V HA 0.766 4.886 4.120 0.001 0.000 0.314 547 V C 0.337 176.392 176.094 -0.065 0.000 1.073 547 V CA -0.813 61.425 62.300 -0.104 0.000 0.956 547 V CB 1.653 33.420 31.823 -0.094 0.000 1.023 547 V HN 0.825 nan 8.190 nan 0.000 0.435 548 A N 2.278 125.079 122.820 -0.032 0.000 2.387 548 A HA 0.955 5.275 4.320 0.001 0.000 0.303 548 A C -1.082 176.475 177.584 -0.045 0.000 1.145 548 A CA -0.707 51.314 52.037 -0.027 0.000 0.801 548 A CB 2.057 21.060 19.000 0.005 0.000 1.342 548 A HN 0.731 nan 8.150 nan 0.000 0.440 549 V N -0.217 119.665 119.914 -0.054 0.000 2.960 549 V HA 0.530 4.651 4.120 0.001 0.000 0.315 549 V C -0.577 175.482 176.094 -0.059 0.000 1.087 549 V CA -0.518 61.744 62.300 -0.065 0.000 0.982 549 V CB 1.971 33.752 31.823 -0.069 0.000 1.039 549 V HN 0.984 nan 8.190 nan 0.000 0.437 550 Q N 2.105 121.870 119.800 -0.058 0.000 2.312 550 Q HA 0.542 4.883 4.340 0.001 0.000 0.263 550 Q C -1.668 174.331 176.000 -0.002 0.000 0.995 550 Q CA -0.510 55.264 55.803 -0.048 0.000 0.853 550 Q CB 1.651 30.352 28.738 -0.061 0.000 1.300 550 Q HN 0.827 nan 8.270 nan 0.000 0.448 551 C N 3.218 122.537 119.300 0.032 0.000 2.345 551 C HA 0.734 5.194 4.460 0.001 0.000 0.323 551 C C -0.594 174.437 174.990 0.068 0.000 1.276 551 C CA -0.716 58.408 59.018 0.175 0.000 1.543 551 C CB 0.795 28.695 27.740 0.266 0.000 2.211 551 C HN 0.584 nan 8.230 nan 0.000 0.493 552 V N 2.937 122.875 119.914 0.039 0.000 2.638 552 V HA 0.834 4.954 4.120 0.001 0.000 0.306 552 V C 0.232 176.407 176.094 0.135 0.000 1.052 552 V CA -0.114 62.185 62.300 -0.002 0.000 0.885 552 V CB 1.709 33.422 31.823 -0.183 0.000 0.999 552 V HN 1.094 nan 8.190 nan 0.000 0.424 553 A N 4.352 127.204 122.820 0.053 0.000 2.309 553 A HA 0.910 5.230 4.320 0.001 0.000 0.317 553 A C -0.430 176.828 177.584 -0.543 0.000 1.134 553 A CA -0.786 51.232 52.037 -0.031 0.000 0.866 553 A CB 0.889 19.864 19.000 -0.041 0.000 1.329 553 A HN 0.769 nan 8.150 nan 0.000 0.477 554 L N 0.677 121.323 121.223 -0.963 0.000 2.479 554 L HA 0.201 4.542 4.340 0.001 0.000 0.270 554 L C -1.949 174.450 176.870 -0.786 0.000 1.236 554 L CA -1.415 52.597 54.840 -1.381 0.000 0.823 554 L CB 0.230 41.586 42.059 -1.172 0.000 1.098 554 L HN 0.409 nan 8.230 nan 0.000 0.500 555 P HA -0.081 nan 4.420 nan 0.000 0.264 555 P C -0.843 176.213 177.300 -0.406 0.000 1.193 555 P CA 0.363 63.126 63.100 -0.562 0.000 0.763 555 P CB 0.131 31.518 31.700 -0.522 0.000 0.810 556 W N 0.696 121.938 121.300 -0.096 0.000 1.839 556 W HA -0.201 4.459 4.660 0.000 0.000 0.248 556 W C 0.743 177.214 176.519 -0.080 0.000 0.999 556 W CA 0.134 57.437 57.345 -0.068 0.000 0.444 556 W CB -2.271 27.151 29.460 -0.064 0.000 2.008 556 W HN 0.339 nan 8.180 nan 0.000 1.324 557 Q N 1.664 121.470 119.800 0.010 0.000 2.294 557 Q HA 0.032 4.373 4.340 0.001 0.000 0.256 557 Q C 1.706 177.707 176.000 0.002 0.000 0.907 557 Q CA 0.933 56.727 55.803 -0.015 0.000 0.954 557 Q CB -0.417 28.272 28.738 -0.081 0.000 1.102 557 Q HN 0.516 nan 8.270 nan 0.000 0.429 558 E N 0.605 120.830 120.200 0.042 0.000 2.204 558 E HA -0.210 4.141 4.350 0.001 0.000 0.195 558 E C 1.094 177.749 176.600 0.091 0.000 0.990 558 E CA 0.919 57.361 56.400 0.070 0.000 0.821 558 E CB 0.094 29.860 29.700 0.110 0.000 0.750 558 E HN 0.502 nan 8.360 nan 0.000 0.477 559 E N 1.359 121.578 120.200 0.032 0.000 2.152 559 E HA -0.125 4.225 4.350 0.001 0.000 0.192 559 E C 2.215 178.879 176.600 0.106 0.000 0.983 559 E CA 0.452 56.841 56.400 -0.017 0.000 0.818 559 E CB -0.513 28.951 29.700 -0.394 0.000 0.758 559 E HN 0.205 nan 8.360 nan 0.000 0.467 560 L N 1.238 122.498 121.223 0.062 0.000 2.201 560 L HA -0.018 4.322 4.340 0.001 0.000 0.212 560 L C 2.330 179.279 176.870 0.131 0.000 1.105 560 L CA 1.064 55.955 54.840 0.084 0.000 0.775 560 L CB -0.617 41.461 42.059 0.032 0.000 0.913 560 L HN 0.243 nan 8.230 nan 0.000 0.440 561 C N -0.955 118.419 119.300 0.123 0.000 2.453 561 C HA -0.087 4.374 4.460 0.001 0.000 0.277 561 C C 2.704 177.817 174.990 0.206 0.000 1.262 561 C CA 0.721 59.832 59.018 0.155 0.000 1.718 561 C CB -0.900 26.900 27.740 0.099 0.000 2.031 561 C HN 0.595 nan 8.230 nan 0.000 0.480 562 L N 0.403 121.757 121.223 0.217 0.000 2.156 562 L HA -0.072 4.268 4.340 0.001 0.000 0.208 562 L C 2.935 180.057 176.870 0.419 0.000 1.095 562 L CA 1.073 56.079 54.840 0.276 0.000 0.770 562 L CB -0.817 41.362 42.059 0.199 0.000 0.914 562 L HN 0.341 nan 8.230 nan 0.000 0.439 563 R N 0.584 121.337 120.500 0.421 0.000 2.097 563 R HA -0.273 4.067 4.340 0.001 0.000 0.236 563 R C 2.367 178.774 176.300 0.178 0.000 1.135 563 R CA 2.341 58.576 56.100 0.225 0.000 0.934 563 R CB -0.830 29.562 30.300 0.153 0.000 0.846 563 R HN 0.336 nan 8.270 nan 0.000 0.431 564 F N 0.715 120.681 119.950 0.027 0.000 2.234 564 F HA -0.165 4.362 4.527 0.001 0.000 0.299 564 F C 2.403 178.194 175.800 -0.015 0.000 1.087 564 F CA 1.332 59.310 58.000 -0.036 0.000 1.340 564 F CB -0.022 38.946 39.000 -0.054 0.000 1.031 564 F HN 0.033 nan 8.300 nan 0.000 0.500 565 M N -0.090 119.489 119.600 -0.034 0.000 2.117 565 M HA -0.202 4.278 4.480 0.001 0.000 0.262 565 M C 2.395 178.638 176.300 -0.094 0.000 1.065 565 M CA 1.733 56.960 55.300 -0.122 0.000 1.114 565 M CB -0.495 32.118 32.600 0.021 0.000 1.361 565 M HN 0.102 nan 8.290 nan 0.000 0.408 566 R N 0.541 121.051 120.500 0.015 0.000 2.083 566 R HA -0.233 4.107 4.340 0.001 0.000 0.237 566 R C 1.954 178.225 176.300 -0.048 0.000 1.137 566 R CA 2.124 58.234 56.100 0.017 0.000 0.951 566 R CB -0.185 30.142 30.300 0.045 0.000 0.851 566 R HN 0.277 nan 8.270 nan 0.000 0.434 567 E N -0.133 120.021 120.200 -0.077 0.000 2.058 567 E HA -0.156 4.195 4.350 0.001 0.000 0.194 567 E C 1.875 178.379 176.600 -0.160 0.000 0.997 567 E CA 1.839 58.189 56.400 -0.084 0.000 0.801 567 E CB -0.072 29.603 29.700 -0.042 0.000 0.746 567 E HN 0.213 nan 8.360 nan 0.000 0.450 568 V N 0.961 120.671 119.914 -0.338 0.000 2.343 568 V HA -0.220 3.900 4.120 0.001 0.000 0.247 568 V C 2.427 178.419 176.094 -0.170 0.000 1.051 568 V CA 2.187 64.288 62.300 -0.331 0.000 1.036 568 V CB -0.556 30.943 31.823 -0.539 0.000 0.654 568 V HN 0.382 nan 8.190 nan 0.000 0.451 569 E N -0.539 119.583 120.200 -0.131 0.000 2.106 569 E HA -0.238 4.112 4.350 0.001 0.000 0.192 569 E C 2.327 178.902 176.600 -0.041 0.000 0.984 569 E CA 0.907 57.268 56.400 -0.066 0.000 0.806 569 E CB -0.016 29.662 29.700 -0.035 0.000 0.750 569 E HN 0.505 nan 8.360 nan 0.000 0.458 570 Q N 0.395 120.171 119.800 -0.040 0.000 2.079 570 Q HA -0.121 4.219 4.340 0.001 0.000 0.200 570 Q C 2.369 178.357 176.000 -0.020 0.000 0.974 570 Q CA 1.003 56.794 55.803 -0.021 0.000 0.840 570 Q CB -0.036 28.694 28.738 -0.015 0.000 0.898 570 Q HN 0.368 nan 8.270 nan 0.000 0.430 571 L N -0.408 120.797 121.223 -0.029 0.000 2.095 571 L HA -0.140 4.200 4.340 0.001 0.000 0.204 571 L C 2.398 179.252 176.870 -0.027 0.000 1.080 571 L CA 0.594 55.421 54.840 -0.022 0.000 0.759 571 L CB -0.323 41.725 42.059 -0.018 0.000 0.914 571 L HN 0.192 nan 8.230 nan 0.000 0.439 572 M N -0.885 118.691 119.600 -0.040 0.000 2.236 572 M HA 0.039 4.519 4.480 0.001 0.000 0.266 572 M C 1.089 177.375 176.300 -0.023 0.000 1.070 572 M CA 1.022 56.300 55.300 -0.036 0.000 1.137 572 M CB -1.104 31.465 32.600 -0.051 0.000 1.378 572 M HN 0.204 nan 8.290 nan 0.000 0.426 573 T N 0.000 114.543 114.554 -0.018 0.000 3.816 573 T HA 0.000 4.350 4.350 0.001 0.000 0.228 573 T CA 0.000 62.098 62.100 -0.004 0.000 1.349 573 T CB 0.000 68.871 68.868 0.005 0.000 0.612 573 T HN 0.000 nan 8.240 nan 0.000 0.658