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 5bj3_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRGLSRRVQA MKPXXXXXXX XXXXXXXXXX XXLVALTAGE PDFDTPEHVK DATA SEQUENCE EAARRALAQG KTKYAPPAGI PELREALAEK FRRENGLSVT PEETIVTVGG DATA SEQUENCE SQALFNLFQA ILDPGDEVIV LSPYWVSYPE MVRFAGGVVV EVETLPEEGF DATA SEQUENCE VPDPERVRRA ITPRTKALVV NSPNNPTGAV YPKEVLEALA RLAVEHDFYL DATA SEQUENCE VSDEIYEHLL YEGEHFSPGR VAPEHTLTVN GAAKAFAMTG WRIGYACGPK DATA SEQUENCE EVIKAMASVS RQSTTSPDTI AQWATLEALT NQEASRAFVE MAREAYRRRR DATA SEQUENCE DLLLEGLTAL GLKAVRPSGA FYVLMDTSPI APDEVRAAER LLEAGVAVVP DATA SEQUENCE GTDFAAFGHV RLSYATSEEN LRKALERFAR VL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.303 176.300 0.005 0.000 1.140 1 M CA 0.000 55.303 55.300 0.005 0.000 0.988 1 M CB 0.000 32.603 32.600 0.005 0.000 1.302 2 R N -0.597 119.906 120.500 0.005 0.000 2.760 2 R HA 0.559 4.901 4.340 0.002 0.000 0.065 2 R C -0.442 175.861 176.300 0.004 0.000 0.816 2 R CA 0.824 56.926 56.100 0.004 0.000 2.689 2 R CB 1.029 31.332 30.300 0.004 0.000 1.401 2 R HN 1.699 nan 8.270 nan 0.000 0.503 3 G N 1.273 110.077 108.800 0.006 0.000 2.312 3 G HA2 0.123 4.085 3.960 0.002 0.000 0.347 3 G HA3 0.123 4.085 3.960 0.002 0.000 0.347 3 G C -1.328 173.577 174.900 0.008 0.000 1.564 3 G CA -0.830 44.274 45.100 0.006 0.000 0.981 3 G HN -0.012 nan 8.290 nan 0.000 0.678 4 L N 1.097 122.326 121.223 0.010 0.000 2.421 4 L HA 0.583 4.924 4.340 0.002 0.000 0.263 4 L C 1.573 178.449 176.870 0.010 0.000 1.122 4 L CA -0.540 54.309 54.840 0.016 0.000 0.804 4 L CB 1.435 43.507 42.059 0.022 0.000 1.150 4 L HN 0.874 nan 8.230 nan 0.000 0.457 5 S N 1.006 116.713 115.700 0.012 0.000 2.600 5 S HA 0.219 4.691 4.470 0.002 0.000 0.265 5 S C 0.949 175.541 174.600 -0.013 0.000 1.325 5 S CA -0.574 57.622 58.200 -0.008 0.000 1.002 5 S CB 1.127 64.315 63.200 -0.019 0.000 0.921 5 S HN 0.587 nan 8.310 nan 0.000 0.554 6 R N 1.053 121.533 120.500 -0.034 0.000 2.081 6 R HA -0.112 4.229 4.340 0.002 0.000 0.235 6 R C 2.691 178.964 176.300 -0.046 0.000 1.131 6 R CA 1.791 57.870 56.100 -0.036 0.000 0.960 6 R CB -0.418 29.855 30.300 -0.045 0.000 0.856 6 R HN 0.875 nan 8.270 nan 0.000 0.436 7 R N 0.133 120.568 120.500 -0.108 0.000 2.105 7 R HA -0.081 4.260 4.340 0.002 0.000 0.239 7 R C 1.983 178.289 176.300 0.010 0.000 1.135 7 R CA 1.555 57.544 56.100 -0.184 0.000 0.967 7 R CB -0.818 29.155 30.300 -0.545 0.000 0.861 7 R HN 0.036 nan 8.270 nan 0.000 0.442 8 V N 1.375 121.339 119.914 0.085 0.000 2.488 8 V HA -0.140 3.982 4.120 0.002 0.000 0.246 8 V C 2.231 178.393 176.094 0.113 0.000 1.046 8 V CA 1.634 64.061 62.300 0.210 0.000 1.053 8 V CB -0.180 31.750 31.823 0.179 0.000 0.679 8 V HN 0.424 nan 8.190 nan 0.000 0.458 9 Q N -0.492 119.343 119.800 0.058 0.000 2.297 9 Q HA -0.036 4.305 4.340 0.002 0.000 0.204 9 Q C 2.049 178.068 176.000 0.032 0.000 0.962 9 Q CA 1.321 57.146 55.803 0.036 0.000 0.879 9 Q CB -0.190 28.559 28.738 0.017 0.000 0.947 9 Q HN 0.662 nan 8.270 nan 0.000 0.462 10 A N 0.072 122.914 122.820 0.037 0.000 2.238 10 A HA 0.099 4.420 4.320 0.002 0.000 0.208 10 A C 0.791 178.402 177.584 0.045 0.000 1.177 10 A CA -0.027 52.028 52.037 0.030 0.000 0.804 10 A CB -0.072 18.936 19.000 0.013 0.000 0.823 10 A HN 0.212 nan 8.150 nan 0.000 0.482 11 M N 0.734 120.377 119.600 0.071 0.000 2.238 11 M HA 0.144 4.625 4.480 0.002 0.000 0.347 11 M C -0.069 176.239 176.300 0.014 0.000 1.173 11 M CA 0.304 55.639 55.300 0.058 0.000 1.147 11 M CB 0.626 33.270 32.600 0.074 0.000 1.547 11 M HN 0.062 nan 8.290 nan 0.000 0.455 12 K N 3.807 124.202 120.400 -0.009 0.000 2.379 12 K HA 0.254 4.575 4.320 0.002 0.000 0.284 12 K C -1.823 174.756 176.600 -0.035 0.000 1.044 12 K CA -1.142 55.131 56.287 -0.023 0.000 0.974 12 K CB 0.166 32.643 32.500 -0.038 0.000 0.962 12 K HN 0.460 nan 8.250 nan 0.000 0.474 34 V N 3.187 123.102 119.914 0.002 0.000 2.347 34 V HA 0.637 4.758 4.120 0.002 0.000 0.280 34 V C 0.398 176.496 176.094 0.006 0.000 1.021 34 V CA -0.325 61.968 62.300 -0.011 0.000 0.847 34 V CB 1.480 33.279 31.823 -0.039 0.000 0.990 34 V HN 0.741 nan 8.190 nan 0.000 0.444 35 A N 6.228 129.054 122.820 0.010 0.000 2.260 35 A HA 0.772 5.094 4.320 0.002 0.000 0.308 35 A C -0.107 177.497 177.584 0.033 0.000 1.254 35 A CA -0.371 51.684 52.037 0.030 0.000 0.874 35 A CB 0.407 19.425 19.000 0.031 0.000 1.153 35 A HN 0.867 nan 8.150 nan 0.000 0.527 36 L N 3.320 124.580 121.223 0.062 0.000 3.141 36 L HA 0.190 4.531 4.340 0.002 0.000 0.263 36 L C 1.167 178.104 176.870 0.113 0.000 1.312 36 L CA 0.201 55.089 54.840 0.080 0.000 1.012 36 L CB 0.111 42.232 42.059 0.104 0.000 1.408 36 L HN 0.925 nan 8.230 nan 0.000 0.559 37 T N -4.248 110.367 114.554 0.102 0.000 3.010 37 T HA 0.297 4.649 4.350 0.002 0.000 0.257 37 T C 0.970 175.763 174.700 0.156 0.000 1.020 37 T CA 0.097 62.276 62.100 0.132 0.000 0.938 37 T CB 0.473 69.407 68.868 0.110 0.000 1.049 37 T HN 0.207 nan 8.240 nan 0.000 0.522 38 A N 0.924 123.811 122.820 0.112 0.000 2.565 38 A HA 0.522 4.844 4.320 0.002 0.000 0.237 38 A C 1.341 179.072 177.584 0.246 0.000 1.053 38 A CA 0.278 52.377 52.037 0.104 0.000 0.755 38 A CB -0.291 18.695 19.000 -0.022 0.000 0.980 38 A HN 0.636 nan 8.150 nan 0.000 0.506 39 G N 1.337 110.310 108.800 0.289 0.000 3.651 39 G HA2 0.457 4.419 3.960 0.002 0.000 0.279 39 G HA3 0.457 4.419 3.960 0.002 0.000 0.279 39 G C 0.036 175.217 174.900 0.469 0.000 1.024 39 G CA 0.387 45.788 45.100 0.502 0.000 0.813 39 G HN 0.939 nan 8.290 nan 0.000 0.518 40 E N 0.079 120.425 120.200 0.244 0.000 2.390 40 E HA 0.492 4.843 4.350 0.002 0.000 0.277 40 E C -3.219 173.336 176.600 -0.075 0.000 0.939 40 E CA -2.273 54.245 56.400 0.196 0.000 0.769 40 E CB 1.744 31.542 29.700 0.164 0.000 1.251 40 E HN -0.154 nan 8.360 nan 0.000 0.450 41 P HA -0.007 nan 4.420 nan 0.000 0.267 41 P C 0.017 177.342 177.300 0.042 0.000 1.200 41 P CA 0.013 63.141 63.100 0.047 0.000 0.772 41 P CB 0.499 32.444 31.700 0.409 0.000 0.855 42 D N 1.325 121.693 120.400 -0.052 0.000 2.347 42 D HA -0.047 4.594 4.640 0.002 0.000 0.213 42 D C 0.218 176.441 176.300 -0.128 0.000 0.985 42 D CA 0.399 54.310 54.000 -0.147 0.000 0.879 42 D CB -0.221 40.414 40.800 -0.274 0.000 0.919 42 D HN 0.236 nan 8.370 nan 0.000 0.526 43 F N 1.627 121.659 119.950 0.136 0.000 2.418 43 F HA 0.225 4.754 4.527 0.002 0.000 0.341 43 F C 1.158 177.084 175.800 0.210 0.000 1.120 43 F CA -0.697 57.421 58.000 0.196 0.000 1.232 43 F CB 0.556 39.746 39.000 0.317 0.000 1.175 43 F HN -0.262 nan 8.300 nan 0.000 0.569 44 D N 0.188 120.812 120.400 0.374 0.000 2.354 44 D HA 0.089 4.730 4.640 0.002 0.000 0.247 44 D C -0.141 176.269 176.300 0.184 0.000 1.138 44 D CA -0.254 53.890 54.000 0.239 0.000 0.958 44 D CB 1.153 42.059 40.800 0.176 0.000 1.144 44 D HN 0.541 nan 8.370 nan 0.000 0.458 45 T N 0.894 115.512 114.554 0.106 0.000 2.916 45 T HA 0.263 4.614 4.350 0.002 0.000 0.303 45 T C -2.221 172.353 174.700 -0.209 0.000 1.025 45 T CA -1.243 60.791 62.100 -0.109 0.000 1.142 45 T CB 0.752 69.593 68.868 -0.045 0.000 0.947 45 T HN 0.216 nan 8.240 nan 0.000 0.544 46 P HA 0.067 nan 4.420 nan 0.000 0.264 46 P C 0.873 178.063 177.300 -0.184 0.000 1.183 46 P CA -0.092 62.821 63.100 -0.313 0.000 0.763 46 P CB 0.641 32.099 31.700 -0.403 0.000 0.807 47 E N 2.348 122.539 120.200 -0.015 0.000 2.147 47 E HA -0.240 4.111 4.350 0.002 0.000 0.199 47 E C 1.805 178.402 176.600 -0.006 0.000 1.005 47 E CA 1.933 58.339 56.400 0.010 0.000 0.810 47 E CB -0.854 28.877 29.700 0.053 0.000 0.736 47 E HN 0.758 nan 8.360 nan 0.000 0.460 48 H N -1.305 117.708 119.070 -0.095 0.000 2.421 48 H HA -0.003 4.554 4.556 0.002 0.000 0.298 48 H C 1.983 177.231 175.328 -0.134 0.000 1.087 48 H CA 1.255 57.241 56.048 -0.104 0.000 1.330 48 H CB -0.282 29.410 29.762 -0.117 0.000 1.388 48 H HN -0.055 nan 8.280 nan 0.000 0.526 49 V N 1.104 120.606 119.914 -0.688 0.000 2.407 49 V HA -0.149 3.973 4.120 0.002 0.000 0.245 49 V C 2.287 178.212 176.094 -0.283 0.000 1.041 49 V CA 1.779 63.716 62.300 -0.605 0.000 1.040 49 V CB -0.348 30.975 31.823 -0.834 0.000 0.671 49 V HN 0.383 nan 8.190 nan 0.000 0.455 50 K N -0.337 119.981 120.400 -0.137 0.000 2.097 50 K HA -0.181 4.140 4.320 0.002 0.000 0.206 50 K C 2.240 178.879 176.600 0.065 0.000 1.049 50 K CA 1.232 57.568 56.287 0.083 0.000 0.933 50 K CB -0.150 32.407 32.500 0.094 0.000 0.717 50 K HN 0.327 nan 8.250 nan 0.000 0.442 51 E N 0.699 120.904 120.200 0.009 0.000 2.051 51 E HA -0.143 4.208 4.350 0.002 0.000 0.192 51 E C 2.015 178.625 176.600 0.016 0.000 0.991 51 E CA 1.221 57.631 56.400 0.016 0.000 0.799 51 E CB -0.201 29.507 29.700 0.013 0.000 0.748 51 E HN 0.290 nan 8.360 nan 0.000 0.449 52 A N 1.168 123.987 122.820 -0.001 0.000 1.940 52 A HA -0.129 4.192 4.320 0.002 0.000 0.219 52 A C 2.382 180.004 177.584 0.065 0.000 1.176 52 A CA 2.135 54.183 52.037 0.018 0.000 0.631 52 A CB -0.521 18.478 19.000 -0.003 0.000 0.814 52 A HN 0.275 nan 8.150 nan 0.000 0.446 53 A N -0.193 122.694 122.820 0.112 0.000 1.898 53 A HA -0.134 4.187 4.320 0.002 0.000 0.216 53 A C 2.233 179.878 177.584 0.102 0.000 1.181 53 A CA 1.452 53.606 52.037 0.195 0.000 0.620 53 A CB -0.435 18.800 19.000 0.392 0.000 0.819 53 A HN 0.549 nan 8.150 nan 0.000 0.442 54 R N -0.648 119.895 120.500 0.071 0.000 2.096 54 R HA -0.068 4.273 4.340 0.002 0.000 0.235 54 R C 2.419 178.717 176.300 -0.003 0.000 1.127 54 R CA 1.474 57.592 56.100 0.029 0.000 0.968 54 R CB -0.277 30.037 30.300 0.024 0.000 0.861 54 R HN 0.473 nan 8.270 nan 0.000 0.440 55 R N 0.179 120.671 120.500 -0.013 0.000 2.092 55 R HA -0.030 4.312 4.340 0.002 0.000 0.231 55 R C 2.310 178.550 176.300 -0.100 0.000 1.119 55 R CA 1.191 57.259 56.100 -0.053 0.000 0.970 55 R CB -0.284 29.982 30.300 -0.056 0.000 0.864 55 R HN 0.202 nan 8.270 nan 0.000 0.440 56 A N 1.440 124.205 122.820 -0.092 0.000 1.902 56 A HA -0.122 4.200 4.320 0.002 0.000 0.217 56 A C 2.195 179.713 177.584 -0.111 0.000 1.181 56 A CA 1.069 53.007 52.037 -0.166 0.000 0.623 56 A CB -0.510 18.456 19.000 -0.056 0.000 0.818 56 A HN 0.152 nan 8.150 nan 0.000 0.443 57 L N -0.738 120.457 121.223 -0.045 0.000 2.012 57 L HA -0.225 4.116 4.340 0.002 0.000 0.210 57 L C 3.114 179.952 176.870 -0.053 0.000 1.073 57 L CA 1.236 56.054 54.840 -0.036 0.000 0.748 57 L CB -0.577 41.471 42.059 -0.017 0.000 0.891 57 L HN 0.439 nan 8.230 nan 0.000 0.431 58 A N -0.671 122.115 122.820 -0.056 0.000 1.972 58 A HA -0.229 4.092 4.320 0.002 0.000 0.219 58 A C 2.109 179.648 177.584 -0.076 0.000 1.169 58 A CA 1.457 53.459 52.037 -0.057 0.000 0.635 58 A CB -0.402 18.568 19.000 -0.051 0.000 0.810 58 A HN 0.537 nan 8.150 nan 0.000 0.446 59 Q N -1.550 118.183 119.800 -0.110 0.000 2.444 59 Q HA 0.251 4.593 4.340 0.002 0.000 0.206 59 Q C 0.959 176.885 176.000 -0.124 0.000 0.948 59 Q CA 0.288 56.010 55.803 -0.135 0.000 0.946 59 Q CB 0.088 28.700 28.738 -0.210 0.000 1.027 59 Q HN 0.862 nan 8.270 nan 0.000 0.513 60 G N 1.998 110.739 108.800 -0.099 0.000 2.198 60 G HA2 -0.232 3.729 3.960 0.002 0.000 0.257 60 G HA3 -0.232 3.729 3.960 0.002 0.000 0.257 60 G C -0.071 174.785 174.900 -0.073 0.000 1.042 60 G CA -0.147 44.909 45.100 -0.073 0.000 0.791 60 G HN 0.097 nan 8.290 nan 0.000 0.502 61 K N 1.282 121.618 120.400 -0.108 0.000 2.480 61 K HA 0.228 4.550 4.320 0.002 0.000 0.241 61 K C 1.356 177.974 176.600 0.030 0.000 1.261 61 K CA 0.797 57.040 56.287 -0.073 0.000 1.193 61 K CB -0.148 32.189 32.500 -0.271 0.000 1.598 61 K HN 0.652 nan 8.250 nan 0.000 0.278 62 T N -2.545 112.016 114.554 0.012 0.000 3.200 62 T HA 0.203 4.554 4.350 0.002 0.000 0.284 62 T C 0.427 175.107 174.700 -0.033 0.000 1.009 62 T CA -0.574 61.527 62.100 0.002 0.000 0.907 62 T CB 0.600 69.452 68.868 -0.027 0.000 1.120 62 T HN -0.065 nan 8.240 nan 0.000 0.534 63 K N 0.977 121.375 120.400 -0.004 0.000 2.177 63 K HA 0.446 4.767 4.320 0.002 0.000 0.238 63 K C -0.484 176.120 176.600 0.007 0.000 1.015 63 K CA -0.910 55.348 56.287 -0.048 0.000 0.922 63 K CB 0.484 32.995 32.500 0.018 0.000 1.127 63 K HN 0.148 nan 8.250 nan 0.000 0.469 64 Y N 0.341 120.675 120.300 0.056 0.000 2.702 64 Y HA 0.107 4.657 4.550 0.001 0.000 0.336 64 Y C 0.891 176.828 175.900 0.062 0.000 1.235 64 Y CA 0.230 58.361 58.100 0.053 0.000 1.492 64 Y CB 0.168 38.652 38.460 0.040 0.000 1.308 64 Y HN 0.540 nan 8.280 nan 0.000 0.589 65 A N 4.913 127.881 122.820 0.246 0.000 2.322 65 A HA 0.756 5.077 4.320 0.002 0.000 0.327 65 A C -2.616 175.028 177.584 0.099 0.000 1.134 65 A CA -2.116 50.007 52.037 0.143 0.000 0.831 65 A CB 0.573 19.633 19.000 0.099 0.000 1.288 65 A HN 0.518 nan 8.150 nan 0.000 0.472 66 P HA 0.215 nan 4.420 nan 0.000 0.269 66 P C -2.035 175.278 177.300 0.023 0.000 1.215 66 P CA -0.960 62.157 63.100 0.029 0.000 0.780 66 P CB 0.190 31.900 31.700 0.017 0.000 0.898 67 P HA -0.190 nan 4.420 nan 0.000 0.216 67 P C 0.878 178.190 177.300 0.020 0.000 1.150 67 P CA 1.815 64.923 63.100 0.013 0.000 0.843 67 P CB -0.214 31.488 31.700 0.003 0.000 0.787 68 A N -1.618 121.211 122.820 0.014 0.000 2.251 68 A HA 0.518 4.840 4.320 0.002 0.000 0.209 68 A C 1.022 178.615 177.584 0.014 0.000 1.187 68 A CA 0.754 52.801 52.037 0.017 0.000 0.823 68 A CB -0.682 18.324 19.000 0.010 0.000 0.846 68 A HN 0.321 nan 8.150 nan 0.000 0.486 69 G N -1.233 107.570 108.800 0.004 0.000 2.497 69 G HA2 0.113 4.074 3.960 0.002 0.000 0.686 69 G HA3 0.113 4.074 3.960 0.002 0.000 0.686 69 G C -0.677 174.190 174.900 -0.056 0.000 1.288 69 G CA -0.554 44.533 45.100 -0.021 0.000 0.899 69 G HN 0.461 nan 8.290 nan 0.000 0.608 70 I N 3.025 123.521 120.570 -0.123 0.000 2.668 70 I HA 0.217 4.388 4.170 0.002 0.000 0.285 70 I C 0.124 176.137 176.117 -0.173 0.000 1.168 70 I CA -1.316 59.870 61.300 -0.190 0.000 1.424 70 I CB 1.197 38.930 38.000 -0.445 0.000 1.377 70 I HN 0.405 nan 8.210 nan 0.000 0.560 71 P HA -0.238 nan 4.420 nan 0.000 0.217 71 P C 1.031 178.269 177.300 -0.103 0.000 1.151 71 P CA 1.535 64.590 63.100 -0.075 0.000 0.849 71 P CB 0.275 31.956 31.700 -0.030 0.000 0.787 72 E N -0.264 119.842 120.200 -0.157 0.000 2.110 72 E HA -0.100 4.251 4.350 0.002 0.000 0.193 72 E C 2.220 178.703 176.600 -0.194 0.000 0.988 72 E CA 0.688 56.992 56.400 -0.161 0.000 0.804 72 E CB -0.934 28.637 29.700 -0.215 0.000 0.745 72 E HN 0.221 nan 8.360 nan 0.000 0.458 73 L N 0.254 121.320 121.223 -0.262 0.000 2.072 73 L HA -0.104 4.237 4.340 0.002 0.000 0.205 73 L C 2.169 178.938 176.870 -0.169 0.000 1.079 73 L CA 1.126 55.825 54.840 -0.235 0.000 0.752 73 L CB -0.039 41.867 42.059 -0.255 0.000 0.906 73 L HN 0.104 nan 8.230 nan 0.000 0.436 74 R N -0.378 120.049 120.500 -0.121 0.000 2.120 74 R HA -0.209 4.132 4.340 0.002 0.000 0.234 74 R C 1.995 178.262 176.300 -0.056 0.000 1.123 74 R CA 1.319 57.380 56.100 -0.066 0.000 0.975 74 R CB -0.135 30.142 30.300 -0.037 0.000 0.866 74 R HN 0.377 nan 8.270 nan 0.000 0.446 75 E N 0.612 120.771 120.200 -0.068 0.000 2.047 75 E HA -0.116 4.235 4.350 0.002 0.000 0.191 75 E C 1.971 178.530 176.600 -0.067 0.000 0.987 75 E CA 1.250 57.620 56.400 -0.050 0.000 0.799 75 E CB -0.024 29.649 29.700 -0.046 0.000 0.752 75 E HN 0.353 nan 8.360 nan 0.000 0.449 76 A N 0.325 123.082 122.820 -0.105 0.000 1.972 76 A HA -0.148 4.174 4.320 0.002 0.000 0.219 76 A C 1.973 179.447 177.584 -0.183 0.000 1.169 76 A CA 0.894 52.851 52.037 -0.134 0.000 0.635 76 A CB -0.409 18.496 19.000 -0.159 0.000 0.810 76 A HN 0.217 nan 8.150 nan 0.000 0.446 77 L N -0.491 120.609 121.223 -0.205 0.000 2.056 77 L HA -0.072 4.270 4.340 0.002 0.000 0.207 77 L C 2.927 179.750 176.870 -0.079 0.000 1.078 77 L CA 1.808 56.483 54.840 -0.274 0.000 0.749 77 L CB -1.327 40.627 42.059 -0.176 0.000 0.901 77 L HN 0.408 nan 8.230 nan 0.000 0.433 78 A N -1.034 121.801 122.820 0.026 0.000 1.933 78 A HA -0.166 4.155 4.320 0.002 0.000 0.218 78 A C 2.144 179.760 177.584 0.052 0.000 1.175 78 A CA 1.387 53.481 52.037 0.096 0.000 0.628 78 A CB -0.324 18.706 19.000 0.049 0.000 0.814 78 A HN 0.388 nan 8.150 nan 0.000 0.444 79 E N 0.032 120.222 120.200 -0.016 0.000 2.072 79 E HA -0.164 4.187 4.350 0.002 0.000 0.191 79 E C 1.985 178.559 176.600 -0.044 0.000 0.985 79 E CA 1.160 57.545 56.400 -0.025 0.000 0.801 79 E CB -0.332 29.343 29.700 -0.043 0.000 0.750 79 E HN 0.637 nan 8.360 nan 0.000 0.452 80 K N 0.492 120.814 120.400 -0.130 0.000 2.002 80 K HA -0.117 4.204 4.320 0.002 0.000 0.209 80 K C 2.059 178.572 176.600 -0.145 0.000 1.048 80 K CA 0.967 57.136 56.287 -0.196 0.000 0.930 80 K CB -0.360 31.907 32.500 -0.390 0.000 0.714 80 K HN 0.029 nan 8.250 nan 0.000 0.438 81 F N 1.340 121.277 119.950 -0.023 0.000 2.216 81 F HA -0.082 4.446 4.527 0.002 0.000 0.300 81 F C 2.820 178.613 175.800 -0.011 0.000 1.085 81 F CA 1.523 59.517 58.000 -0.010 0.000 1.326 81 F CB -0.481 38.510 39.000 -0.014 0.000 1.027 81 F HN 0.151 nan 8.300 nan 0.000 0.497 82 R N 0.335 120.930 120.500 0.158 0.000 2.062 82 R HA -0.076 4.266 4.340 0.002 0.000 0.226 82 R C 2.502 178.837 176.300 0.057 0.000 1.125 82 R CA 1.177 57.329 56.100 0.087 0.000 0.966 82 R CB -0.232 30.105 30.300 0.061 0.000 0.861 82 R HN 0.129 nan 8.270 nan 0.000 0.433 83 R N 0.442 120.966 120.500 0.041 0.000 2.062 83 R HA -0.103 4.238 4.340 0.002 0.000 0.231 83 R C 1.676 178.002 176.300 0.044 0.000 1.136 83 R CA 2.049 58.167 56.100 0.031 0.000 0.948 83 R CB -0.087 30.221 30.300 0.014 0.000 0.845 83 R HN 0.356 nan 8.270 nan 0.000 0.430 84 E N -0.589 119.640 120.200 0.049 0.000 2.230 84 E HA -0.062 4.289 4.350 0.002 0.000 0.192 84 E C 0.970 177.619 176.600 0.082 0.000 0.987 84 E CA 1.062 57.504 56.400 0.070 0.000 0.841 84 E CB 0.155 29.901 29.700 0.077 0.000 0.783 84 E HN 0.542 nan 8.360 nan 0.000 0.481 85 N N -0.832 117.923 118.700 0.092 0.000 2.197 85 N HA 0.118 4.860 4.740 0.002 0.000 0.201 85 N C 0.611 176.131 175.510 0.018 0.000 1.148 85 N CA 0.328 53.427 53.050 0.082 0.000 0.883 85 N CB 1.653 40.237 38.487 0.162 0.000 1.012 85 N HN 0.128 nan 8.380 nan 0.000 0.507 86 G N 0.935 109.756 108.800 0.035 0.000 2.179 86 G HA2 -0.242 3.720 3.960 0.002 0.000 0.257 86 G HA3 -0.242 3.720 3.960 0.002 0.000 0.257 86 G C -0.516 174.383 174.900 -0.002 0.000 1.010 86 G CA -0.071 45.036 45.100 0.012 0.000 0.736 86 G HN 0.085 nan 8.290 nan 0.000 0.513 87 L N 1.197 122.434 121.223 0.024 0.000 2.292 87 L HA 0.558 4.900 4.340 0.002 0.000 0.284 87 L C 0.850 177.732 176.870 0.019 0.000 1.065 87 L CA -0.397 54.445 54.840 0.003 0.000 0.806 87 L CB 1.691 43.747 42.059 -0.005 0.000 1.175 87 L HN 0.100 nan 8.230 nan 0.000 0.431 88 S N 3.096 118.796 115.700 -0.001 0.000 3.483 88 S HA 0.441 4.912 4.470 0.002 0.000 0.274 88 S C -0.044 174.555 174.600 -0.001 0.000 1.289 88 S CA -0.569 57.635 58.200 0.006 0.000 0.938 88 S CB -0.156 63.045 63.200 0.003 0.000 1.453 88 S HN 0.428 nan 8.310 nan 0.000 0.494 89 V N 0.468 120.390 119.914 0.012 0.000 2.914 89 V HA 0.891 5.012 4.120 0.002 0.000 0.314 89 V C 0.099 176.205 176.094 0.021 0.000 1.084 89 V CA -1.004 61.298 62.300 0.003 0.000 0.963 89 V CB 1.630 33.442 31.823 -0.019 0.000 1.025 89 V HN 0.553 nan 8.190 nan 0.000 0.432 90 T N -0.222 114.338 114.554 0.011 0.000 2.944 90 T HA 0.611 4.963 4.350 0.002 0.000 0.284 90 T C -2.024 172.686 174.700 0.018 0.000 1.010 90 T CA -1.934 60.174 62.100 0.013 0.000 1.025 90 T CB 1.567 70.438 68.868 0.005 0.000 1.079 90 T HN 0.501 nan 8.240 nan 0.000 0.516 91 P HA -0.039 nan 4.420 nan 0.000 0.218 91 P C 0.947 178.252 177.300 0.009 0.000 1.148 91 P CA 0.920 64.027 63.100 0.012 0.000 0.822 91 P CB -0.002 31.698 31.700 -0.000 0.000 0.784 92 E N -0.416 119.786 120.200 0.004 0.000 2.409 92 E HA -0.116 4.236 4.350 0.002 0.000 0.198 92 E C 0.809 177.407 176.600 -0.004 0.000 1.024 92 E CA 0.751 57.151 56.400 -0.000 0.000 0.861 92 E CB -0.617 29.082 29.700 -0.002 0.000 0.788 92 E HN 0.467 nan 8.360 nan 0.000 0.521 93 E N -0.134 120.063 120.200 -0.005 0.000 2.496 93 E HA 0.155 4.507 4.350 0.002 0.000 0.202 93 E C -0.400 176.186 176.600 -0.024 0.000 1.021 93 E CA -0.018 56.368 56.400 -0.022 0.000 1.015 93 E CB 0.840 30.521 29.700 -0.032 0.000 1.102 93 E HN -0.083 nan 8.360 nan 0.000 0.452 94 T N 0.982 115.543 114.554 0.011 0.000 2.907 94 T HA 0.612 4.964 4.350 0.002 0.000 0.292 94 T C -1.079 173.654 174.700 0.054 0.000 1.043 94 T CA -0.478 61.657 62.100 0.058 0.000 1.003 94 T CB 1.772 70.700 68.868 0.100 0.000 1.084 94 T HN 0.081 nan 8.240 nan 0.000 0.483 95 I N 2.051 122.677 120.570 0.093 0.000 2.722 95 I HA 0.572 4.744 4.170 0.002 0.000 0.292 95 I C -1.539 174.658 176.117 0.133 0.000 1.267 95 I CA -0.845 60.502 61.300 0.079 0.000 1.036 95 I CB 1.671 39.698 38.000 0.046 0.000 1.281 95 I HN 0.347 nan 8.210 nan 0.000 0.423 96 V N 5.683 125.659 119.914 0.103 0.000 2.427 96 V HA 0.600 4.722 4.120 0.002 0.000 0.286 96 V C 0.311 176.465 176.094 0.101 0.000 1.034 96 V CA -0.198 62.183 62.300 0.135 0.000 0.893 96 V CB 1.427 33.301 31.823 0.085 0.000 0.982 96 V HN 0.852 nan 8.190 nan 0.000 0.452 97 T N 0.784 115.399 114.554 0.103 0.000 2.888 97 T HA 0.581 4.932 4.350 0.002 0.000 0.288 97 T C -0.405 174.333 174.700 0.063 0.000 1.063 97 T CA -0.780 61.364 62.100 0.072 0.000 1.010 97 T CB 1.726 70.632 68.868 0.063 0.000 1.214 97 T HN 0.174 nan 8.240 nan 0.000 0.533 98 V N 2.169 122.116 119.914 0.055 0.000 2.149 98 V HA 0.546 4.668 4.120 0.002 0.000 0.245 98 V C 1.277 177.395 176.094 0.040 0.000 1.349 98 V CA 0.813 63.143 62.300 0.050 0.000 1.289 98 V CB -1.158 30.687 31.823 0.037 0.000 1.401 98 V HN 1.483 nan 8.190 nan 0.000 0.501 99 G N 3.671 112.489 108.800 0.031 0.000 2.758 99 G HA2 0.007 3.968 3.960 0.002 0.000 0.686 99 G HA3 0.007 3.968 3.960 0.002 0.000 0.686 99 G C 0.723 175.615 174.900 -0.014 0.000 1.389 99 G CA -0.331 44.773 45.100 0.007 0.000 0.845 99 G HN 0.930 nan 8.290 nan 0.000 0.572 100 G N -0.181 108.583 108.800 -0.059 0.000 2.443 100 G HA2 0.136 4.097 3.960 0.002 0.000 0.219 100 G HA3 0.136 4.097 3.960 0.002 0.000 0.219 100 G C 2.255 177.191 174.900 0.061 0.000 1.131 100 G CA 2.098 47.162 45.100 -0.059 0.000 0.775 100 G HN 2.086 nan 8.290 nan 0.000 0.547 101 S N 0.054 115.829 115.700 0.125 0.000 2.370 101 S HA -0.210 4.261 4.470 0.002 0.000 0.226 101 S C 2.154 176.872 174.600 0.197 0.000 1.033 101 S CA 1.595 59.941 58.200 0.243 0.000 1.011 101 S CB -0.441 62.904 63.200 0.243 0.000 0.852 101 S HN 0.479 nan 8.310 nan 0.000 0.457 102 Q N 0.944 120.817 119.800 0.122 0.000 2.230 102 Q HA 0.062 4.404 4.340 0.002 0.000 0.202 102 Q C 2.238 178.332 176.000 0.157 0.000 0.963 102 Q CA 0.937 56.823 55.803 0.139 0.000 0.866 102 Q CB -0.417 28.366 28.738 0.075 0.000 0.931 102 Q HN 0.740 nan 8.270 nan 0.000 0.452 103 A N 0.690 123.566 122.820 0.095 0.000 1.898 103 A HA -0.145 4.176 4.320 0.002 0.000 0.216 103 A C 1.985 179.570 177.584 0.003 0.000 1.181 103 A CA 0.967 53.029 52.037 0.042 0.000 0.620 103 A CB -0.569 18.439 19.000 0.014 0.000 0.819 103 A HN 0.403 nan 8.150 nan 0.000 0.442 104 L N -2.217 119.040 121.223 0.056 0.000 2.056 104 L HA -0.119 4.223 4.340 0.002 0.000 0.207 104 L C 2.462 179.340 176.870 0.014 0.000 1.078 104 L CA 1.540 56.367 54.840 -0.020 0.000 0.749 104 L CB -0.532 41.679 42.059 0.255 0.000 0.901 104 L HN 0.501 nan 8.230 nan 0.000 0.433 105 F N 1.367 121.366 119.950 0.081 0.000 2.075 105 F HA -0.243 4.285 4.527 0.002 0.000 0.297 105 F C 2.328 178.179 175.800 0.085 0.000 1.113 105 F CA 1.788 59.870 58.000 0.136 0.000 1.218 105 F CB -0.241 38.811 39.000 0.087 0.000 0.984 105 F HN 0.097 nan 8.300 nan 0.000 0.472 106 N N 0.761 119.554 118.700 0.155 0.000 2.166 106 N HA -0.189 4.553 4.740 0.002 0.000 0.186 106 N C 2.004 177.450 175.510 -0.107 0.000 1.019 106 N CA 1.378 54.447 53.050 0.031 0.000 0.856 106 N CB -0.719 37.819 38.487 0.086 0.000 0.993 106 N HN 0.439 nan 8.380 nan 0.000 0.426 107 L N -0.503 120.610 121.223 -0.184 0.000 1.994 107 L HA -0.146 4.196 4.340 0.002 0.000 0.208 107 L C 1.608 178.305 176.870 -0.289 0.000 1.071 107 L CA 1.435 56.087 54.840 -0.313 0.000 0.745 107 L CB -0.251 41.513 42.059 -0.491 0.000 0.892 107 L HN -0.030 nan 8.230 nan 0.000 0.431 108 F N -0.141 119.732 119.950 -0.128 0.000 2.216 108 F HA -0.191 4.337 4.527 0.002 0.000 0.300 108 F C 2.710 178.404 175.800 -0.177 0.000 1.085 108 F CA 0.900 58.816 58.000 -0.140 0.000 1.326 108 F CB -0.737 38.191 39.000 -0.119 0.000 1.027 108 F HN 0.202 nan 8.300 nan 0.000 0.497 109 Q N -0.409 119.332 119.800 -0.098 0.000 2.230 109 Q HA 0.021 4.363 4.340 0.002 0.000 0.202 109 Q C 2.363 178.321 176.000 -0.070 0.000 0.963 109 Q CA 1.189 56.909 55.803 -0.139 0.000 0.866 109 Q CB -0.500 28.090 28.738 -0.247 0.000 0.931 109 Q HN 0.419 nan 8.270 nan 0.000 0.452 110 A N 0.575 123.350 122.820 -0.075 0.000 2.081 110 A HA 0.046 4.367 4.320 0.002 0.000 0.214 110 A C 1.800 179.351 177.584 -0.056 0.000 1.158 110 A CA 0.510 52.508 52.037 -0.066 0.000 0.724 110 A CB -0.101 18.845 19.000 -0.090 0.000 0.826 110 A HN 0.421 nan 8.150 nan 0.000 0.463 111 I N -4.380 116.163 120.570 -0.045 0.000 4.288 111 I HA 0.412 4.584 4.170 0.002 0.000 0.331 111 I C -0.371 175.787 176.117 0.067 0.000 1.322 111 I CA -0.205 61.094 61.300 -0.000 0.000 1.149 111 I CB 0.284 38.234 38.000 -0.084 0.000 1.112 111 I HN -0.102 nan 8.210 nan 0.000 0.403 112 L N 2.826 124.084 121.223 0.058 0.000 2.295 112 L HA 0.546 4.888 4.340 0.002 0.000 0.285 112 L C -0.892 175.984 176.870 0.010 0.000 1.035 112 L CA -0.377 54.491 54.840 0.046 0.000 0.806 112 L CB 1.225 43.308 42.059 0.040 0.000 1.214 112 L HN 0.089 nan 8.230 nan 0.000 0.426 113 D N 3.769 124.174 120.400 0.008 0.000 2.269 113 D HA 0.344 4.986 4.640 0.002 0.000 0.244 113 D C -2.382 173.905 176.300 -0.021 0.000 0.992 113 D CA -1.322 52.674 54.000 -0.007 0.000 0.894 113 D CB 2.057 42.859 40.800 0.003 0.000 1.248 113 D HN 0.222 nan 8.370 nan 0.000 0.468 114 P HA 0.057 nan 4.420 nan 0.000 0.261 114 P C 0.712 177.993 177.300 -0.032 0.000 1.183 114 P CA 0.490 63.566 63.100 -0.041 0.000 0.761 114 P CB 0.739 32.412 31.700 -0.045 0.000 0.785 115 G N 2.867 111.645 108.800 -0.037 0.000 2.307 115 G HA2 -0.166 3.795 3.960 0.002 0.000 0.210 115 G HA3 -0.166 3.795 3.960 0.002 0.000 0.210 115 G C -0.142 174.739 174.900 -0.031 0.000 1.005 115 G CA -0.373 44.708 45.100 -0.031 0.000 0.634 115 G HN 0.500 nan 8.290 nan 0.000 0.496 116 D N 2.262 122.647 120.400 -0.025 0.000 2.488 116 D HA 0.422 5.063 4.640 0.002 0.000 0.238 116 D C 0.679 176.952 176.300 -0.046 0.000 1.138 116 D CA 0.605 54.593 54.000 -0.020 0.000 0.873 116 D CB 0.689 41.492 40.800 0.005 0.000 1.183 116 D HN 0.598 nan 8.370 nan 0.000 0.458 117 E N 0.226 120.393 120.200 -0.055 0.000 2.242 117 E HA 0.523 4.875 4.350 0.002 0.000 0.275 117 E C -0.740 175.795 176.600 -0.108 0.000 1.002 117 E CA -0.916 55.432 56.400 -0.086 0.000 0.841 117 E CB 1.897 31.544 29.700 -0.089 0.000 1.109 117 E HN 0.056 nan 8.360 nan 0.000 0.394 118 V N 3.552 123.388 119.914 -0.130 0.000 2.525 118 V HA 0.298 4.419 4.120 0.002 0.000 0.299 118 V C -0.320 175.691 176.094 -0.139 0.000 1.034 118 V CA -0.672 61.545 62.300 -0.137 0.000 0.863 118 V CB 1.357 33.071 31.823 -0.181 0.000 0.999 118 V HN 0.580 nan 8.190 nan 0.000 0.423 119 I N 4.880 125.364 120.570 -0.143 0.000 2.416 119 I HA 0.366 4.537 4.170 0.002 0.000 0.288 119 I C -0.359 175.729 176.117 -0.049 0.000 1.051 119 I CA -0.208 61.032 61.300 -0.099 0.000 1.375 119 I CB 1.312 39.241 38.000 -0.118 0.000 1.407 119 I HN 0.279 nan 8.210 nan 0.000 0.516 120 V N 7.532 127.438 119.914 -0.013 0.000 2.540 120 V HA 0.368 4.489 4.120 0.002 0.000 0.302 120 V C -0.024 176.177 176.094 0.178 0.000 1.035 120 V CA -0.692 61.631 62.300 0.039 0.000 0.873 120 V CB 1.906 33.679 31.823 -0.083 0.000 0.992 120 V HN 0.457 nan 8.190 nan 0.000 0.428 121 L N 4.696 126.060 121.223 0.235 0.000 2.278 121 L HA 0.469 4.810 4.340 0.002 0.000 0.287 121 L C 0.642 177.721 176.870 0.349 0.000 1.072 121 L CA 0.010 55.003 54.840 0.255 0.000 0.819 121 L CB 1.259 43.452 42.059 0.224 0.000 1.176 121 L HN 0.795 nan 8.230 nan 0.000 0.435 122 S N 3.237 119.099 115.700 0.271 0.000 2.585 122 S HA 0.593 5.064 4.470 0.002 0.000 0.277 122 S C -2.577 172.043 174.600 0.033 0.000 1.241 122 S CA -1.681 56.566 58.200 0.078 0.000 1.041 122 S CB 1.368 64.551 63.200 -0.029 0.000 0.987 122 S HN 0.271 nan 8.310 nan 0.000 0.512 123 P HA 0.271 nan 4.420 nan 0.000 0.271 123 P C -1.041 176.203 177.300 -0.093 0.000 1.216 123 P CA -0.104 62.820 63.100 -0.293 0.000 0.776 123 P CB 0.023 31.484 31.700 -0.398 0.000 0.881 124 Y N -0.120 120.277 120.300 0.161 0.000 2.598 124 Y HA 0.624 5.175 4.550 0.002 0.000 0.340 124 Y C -0.722 175.383 175.900 0.341 0.000 1.038 124 Y CA -2.255 56.014 58.100 0.282 0.000 1.100 124 Y CB 0.130 38.794 38.460 0.340 0.000 1.281 124 Y HN 0.343 nan 8.280 nan 0.000 0.488 125 W N 2.905 124.361 121.300 0.259 0.000 2.308 125 W HA 0.346 5.007 4.660 0.002 0.000 0.324 125 W C 0.674 177.132 176.519 -0.100 0.000 1.387 125 W CA -0.833 56.495 57.345 -0.028 0.000 1.250 125 W CB 0.776 29.931 29.460 -0.508 0.000 1.257 125 W HN 0.580 nan 8.180 nan 0.000 0.554 126 V N 4.491 124.141 119.914 -0.439 0.000 2.311 126 V HA -0.421 3.701 4.120 0.002 0.000 0.256 126 V C 2.200 177.906 176.094 -0.646 0.000 1.077 126 V CA 2.733 64.679 62.300 -0.591 0.000 1.067 126 V CB -1.256 30.118 31.823 -0.748 0.000 0.659 126 V HN 0.755 nan 8.190 nan 0.000 0.451 127 S N -1.819 113.182 115.700 -1.165 0.000 2.423 127 S HA -0.126 4.346 4.470 0.002 0.000 0.231 127 S C 1.746 176.096 174.600 -0.417 0.000 1.014 127 S CA 1.079 58.729 58.200 -0.917 0.000 0.965 127 S CB -0.373 61.974 63.200 -1.423 0.000 0.785 127 S HN 0.604 nan 8.310 nan 0.000 0.495 128 Y N 2.087 122.234 120.300 -0.254 0.000 2.053 128 Y HA -0.108 4.443 4.550 0.002 0.000 0.277 128 Y C -0.160 175.578 175.900 -0.270 0.000 1.159 128 Y CA 0.555 58.592 58.100 -0.105 0.000 1.125 128 Y CB -2.364 36.079 38.460 -0.028 0.000 0.969 128 Y HN 0.276 nan 8.280 nan 0.000 0.492 129 P HA -0.130 nan 4.420 nan 0.000 0.218 129 P C 1.216 178.415 177.300 -0.169 0.000 1.149 129 P CA 1.546 64.494 63.100 -0.254 0.000 0.817 129 P CB 0.130 31.634 31.700 -0.327 0.000 0.785 130 E N 0.047 120.158 120.200 -0.148 0.000 2.031 130 E HA -0.129 4.222 4.350 0.002 0.000 0.193 130 E C 2.248 178.841 176.600 -0.011 0.000 0.994 130 E CA 1.296 57.645 56.400 -0.086 0.000 0.800 130 E CB -0.816 28.800 29.700 -0.139 0.000 0.752 130 E HN 0.361 nan 8.360 nan 0.000 0.447 131 M N 0.241 119.837 119.600 -0.006 0.000 2.159 131 M HA -0.139 4.342 4.480 0.002 0.000 0.263 131 M C 2.443 178.700 176.300 -0.073 0.000 1.063 131 M CA 0.966 56.329 55.300 0.104 0.000 1.110 131 M CB -0.259 32.518 32.600 0.295 0.000 1.374 131 M HN -0.068 nan 8.290 nan 0.000 0.411 132 V N 0.413 120.123 119.914 -0.340 0.000 2.261 132 V HA -0.266 3.855 4.120 0.002 0.000 0.246 132 V C 2.326 178.295 176.094 -0.208 0.000 1.047 132 V CA 1.898 63.901 62.300 -0.496 0.000 1.015 132 V CB -0.697 30.797 31.823 -0.549 0.000 0.642 132 V HN 0.435 nan 8.190 nan 0.000 0.446 133 R N -1.154 119.278 120.500 -0.113 0.000 2.096 133 R HA -0.141 4.200 4.340 0.002 0.000 0.235 133 R C 2.211 178.520 176.300 0.016 0.000 1.127 133 R CA 1.625 57.697 56.100 -0.047 0.000 0.968 133 R CB -0.486 29.799 30.300 -0.025 0.000 0.861 133 R HN 0.471 nan 8.270 nan 0.000 0.440 134 F N 1.105 121.017 119.950 -0.064 0.000 2.269 134 F HA -0.116 4.412 4.527 0.002 0.000 0.301 134 F C 2.002 177.776 175.800 -0.043 0.000 1.082 134 F CA 1.224 59.215 58.000 -0.014 0.000 1.360 134 F CB 0.035 39.080 39.000 0.074 0.000 1.041 134 F HN -0.030 nan 8.300 nan 0.000 0.512 135 A N -0.953 121.867 122.820 -0.001 0.000 2.275 135 A HA 0.449 4.770 4.320 0.002 0.000 0.212 135 A C 1.782 179.309 177.584 -0.094 0.000 1.201 135 A CA 0.678 52.670 52.037 -0.074 0.000 0.843 135 A CB -0.922 18.049 19.000 -0.049 0.000 0.873 135 A HN 0.772 nan 8.150 nan 0.000 0.492 136 G N -1.775 106.964 108.800 -0.100 0.000 2.159 136 G HA2 -0.027 3.934 3.960 0.002 0.000 0.227 136 G HA3 -0.027 3.934 3.960 0.002 0.000 0.227 136 G C 0.697 175.550 174.900 -0.078 0.000 0.986 136 G CA 0.184 45.230 45.100 -0.090 0.000 0.651 136 G HN 1.322 nan 8.290 nan 0.000 0.523 137 G N -1.003 107.740 108.800 -0.094 0.000 2.537 137 G HA2 0.611 4.572 3.960 0.002 0.000 0.273 137 G HA3 0.611 4.572 3.960 0.002 0.000 0.273 137 G C -0.121 174.716 174.900 -0.105 0.000 1.189 137 G CA 0.123 45.161 45.100 -0.103 0.000 0.881 137 G HN 0.961 nan 8.290 nan 0.000 0.535 138 V N 0.647 120.503 119.914 -0.097 0.000 2.398 138 V HA 0.249 4.370 4.120 0.002 0.000 0.286 138 V C 0.139 176.170 176.094 -0.105 0.000 1.026 138 V CA -0.681 61.568 62.300 -0.085 0.000 0.868 138 V CB 1.537 33.322 31.823 -0.062 0.000 0.982 138 V HN 0.486 nan 8.190 nan 0.000 0.443 139 V N 5.990 125.841 119.914 -0.105 0.000 2.427 139 V HA 0.219 4.340 4.120 0.002 0.000 0.268 139 V C 0.131 176.183 176.094 -0.070 0.000 1.046 139 V CA -0.250 61.980 62.300 -0.116 0.000 0.970 139 V CB 1.331 33.072 31.823 -0.136 0.000 1.001 139 V HN 0.613 nan 8.190 nan 0.000 0.476 140 V N 5.308 125.180 119.914 -0.070 0.000 2.294 140 V HA 0.279 4.401 4.120 0.002 0.000 0.272 140 V C 0.329 176.419 176.094 -0.007 0.000 1.027 140 V CA -0.504 61.773 62.300 -0.038 0.000 0.823 140 V CB 1.201 32.988 31.823 -0.060 0.000 1.030 140 V HN 0.954 nan 8.190 nan 0.000 0.457 141 E N 4.316 124.542 120.200 0.043 0.000 2.259 141 E HA 0.421 4.773 4.350 0.002 0.000 0.281 141 E C -1.247 175.414 176.600 0.102 0.000 1.037 141 E CA -0.339 56.130 56.400 0.115 0.000 0.854 141 E CB 1.514 31.337 29.700 0.204 0.000 1.051 141 E HN 0.454 nan 8.360 nan 0.000 0.409 142 V N 5.108 125.088 119.914 0.110 0.000 2.384 142 V HA 0.170 4.291 4.120 0.002 0.000 0.287 142 V C 0.070 176.231 176.094 0.111 0.000 1.020 142 V CA -0.668 61.683 62.300 0.086 0.000 0.850 142 V CB 1.439 33.297 31.823 0.057 0.000 0.987 142 V HN 0.766 nan 8.190 nan 0.000 0.436 143 E N 2.486 122.744 120.200 0.097 0.000 2.354 143 E HA 0.303 4.654 4.350 0.002 0.000 0.269 143 E C -0.523 176.132 176.600 0.092 0.000 1.036 143 E CA -0.060 56.402 56.400 0.103 0.000 0.876 143 E CB 0.946 30.703 29.700 0.095 0.000 1.009 143 E HN 0.679 nan 8.360 nan 0.000 0.416 144 T N 4.274 118.904 114.554 0.127 0.000 2.807 144 T HA 0.397 4.749 4.350 0.002 0.000 0.279 144 T C -0.562 174.225 174.700 0.145 0.000 0.993 144 T CA -0.582 61.603 62.100 0.143 0.000 0.970 144 T CB 0.448 69.447 68.868 0.219 0.000 0.950 144 T HN 0.328 nan 8.240 nan 0.000 0.441 145 L N 5.996 127.215 121.223 -0.007 0.000 2.325 145 L HA 0.354 4.695 4.340 0.002 0.000 0.279 145 L C -1.557 174.979 176.870 -0.557 0.000 1.054 145 L CA -2.373 52.366 54.840 -0.168 0.000 0.804 145 L CB 1.540 43.535 42.059 -0.108 0.000 1.200 145 L HN 0.397 nan 8.230 nan 0.000 0.436 146 P HA -0.188 nan 4.420 nan 0.000 0.215 146 P C 1.113 178.094 177.300 -0.532 0.000 1.157 146 P CA 1.068 63.488 63.100 -1.132 0.000 0.868 146 P CB 0.125 31.507 31.700 -0.530 0.000 0.788 147 E N 0.423 120.449 120.200 -0.290 0.000 2.333 147 E HA -0.185 4.166 4.350 0.002 0.000 0.198 147 E C 0.858 177.374 176.600 -0.140 0.000 1.007 147 E CA 1.158 57.462 56.400 -0.160 0.000 0.845 147 E CB -0.860 28.782 29.700 -0.097 0.000 0.766 147 E HN 0.440 nan 8.360 nan 0.000 0.507 148 E N 0.237 120.330 120.200 -0.179 0.000 2.451 148 E HA 0.220 4.571 4.350 0.002 0.000 0.194 148 E C 0.479 177.018 176.600 -0.102 0.000 1.027 148 E CA 0.132 56.463 56.400 -0.114 0.000 0.914 148 E CB 0.440 30.085 29.700 -0.092 0.000 1.054 148 E HN 0.418 nan 8.360 nan 0.000 0.461 149 G N 1.165 109.874 108.800 -0.152 0.000 2.168 149 G HA2 -0.342 3.620 3.960 0.002 0.000 0.257 149 G HA3 -0.342 3.620 3.960 0.002 0.000 0.257 149 G C 0.423 175.381 174.900 0.098 0.000 0.997 149 G CA 0.259 45.332 45.100 -0.045 0.000 0.708 149 G HN 0.393 nan 8.290 nan 0.000 0.520 150 F N -3.408 116.552 119.950 0.016 0.000 2.988 150 F HA -0.216 4.313 4.527 0.002 0.000 0.287 150 F C 1.003 176.818 175.800 0.025 0.000 0.781 150 F CA 0.618 58.632 58.000 0.023 0.000 1.221 150 F CB -1.859 37.164 39.000 0.039 0.000 1.392 150 F HN 0.342 nan 8.300 nan 0.000 0.425 151 V N 2.369 122.326 119.914 0.072 0.000 2.439 151 V HA 0.398 4.520 4.120 0.002 0.000 0.282 151 V C -1.363 174.601 176.094 -0.217 0.000 1.039 151 V CA -1.584 60.623 62.300 -0.156 0.000 0.913 151 V CB 1.498 33.273 31.823 -0.080 0.000 0.983 151 V HN -0.101 nan 8.190 nan 0.000 0.460 152 P HA 0.087 nan 4.420 nan 0.000 0.269 152 P C -0.968 176.252 177.300 -0.134 0.000 1.209 152 P CA -0.143 62.833 63.100 -0.207 0.000 0.776 152 P CB 0.895 32.456 31.700 -0.232 0.000 0.876 153 D N 2.813 123.173 120.400 -0.066 0.000 2.373 153 D HA 0.216 4.858 4.640 0.002 0.000 0.227 153 D C -1.699 174.589 176.300 -0.021 0.000 1.091 153 D CA -2.493 51.482 54.000 -0.041 0.000 0.840 153 D CB 0.971 41.756 40.800 -0.025 0.000 1.060 153 D HN 0.025 nan 8.370 nan 0.000 0.502 154 P HA -0.165 nan 4.420 nan 0.000 0.217 154 P C 0.987 178.298 177.300 0.018 0.000 1.148 154 P CA 0.913 64.018 63.100 0.009 0.000 0.828 154 P CB 0.520 32.226 31.700 0.010 0.000 0.783 155 E N -0.347 119.858 120.200 0.009 0.000 2.072 155 E HA -0.142 4.209 4.350 0.002 0.000 0.191 155 E C 2.052 178.659 176.600 0.010 0.000 0.985 155 E CA 1.286 57.693 56.400 0.012 0.000 0.801 155 E CB -0.428 29.276 29.700 0.007 0.000 0.750 155 E HN 0.102 nan 8.360 nan 0.000 0.452 156 R N -0.462 120.042 120.500 0.007 0.000 2.096 156 R HA -0.066 4.275 4.340 0.002 0.000 0.235 156 R C 2.354 178.659 176.300 0.009 0.000 1.127 156 R CA 1.359 57.464 56.100 0.008 0.000 0.968 156 R CB -0.368 29.937 30.300 0.009 0.000 0.861 156 R HN 0.116 nan 8.270 nan 0.000 0.440 157 V N 1.085 121.007 119.914 0.014 0.000 2.358 157 V HA -0.244 3.877 4.120 0.002 0.000 0.246 157 V C 2.473 178.569 176.094 0.004 0.000 1.047 157 V CA 1.777 64.088 62.300 0.018 0.000 1.035 157 V CB -0.613 31.236 31.823 0.044 0.000 0.658 157 V HN 0.326 nan 8.190 nan 0.000 0.452 158 R N 0.378 120.885 120.500 0.012 0.000 2.105 158 R HA -0.174 4.168 4.340 0.002 0.000 0.239 158 R C 2.456 178.731 176.300 -0.041 0.000 1.135 158 R CA 1.604 57.699 56.100 -0.009 0.000 0.967 158 R CB -0.169 30.148 30.300 0.030 0.000 0.861 158 R HN 0.459 nan 8.270 nan 0.000 0.442 159 R N -0.416 120.073 120.500 -0.019 0.000 2.148 159 R HA -0.015 4.326 4.340 0.002 0.000 0.227 159 R C 2.008 178.287 176.300 -0.034 0.000 1.103 159 R CA 1.050 57.138 56.100 -0.020 0.000 0.983 159 R CB -0.072 30.224 30.300 -0.005 0.000 0.874 159 R HN 0.220 nan 8.270 nan 0.000 0.451 160 A N 1.057 123.852 122.820 -0.043 0.000 2.208 160 A HA 0.120 4.441 4.320 0.002 0.000 0.209 160 A C 0.960 178.488 177.584 -0.094 0.000 1.161 160 A CA -0.017 51.987 52.037 -0.054 0.000 0.782 160 A CB -0.049 18.925 19.000 -0.043 0.000 0.816 160 A HN 0.078 nan 8.150 nan 0.000 0.477 161 I N 1.715 122.210 120.570 -0.125 0.000 2.556 161 I HA 0.201 4.373 4.170 0.002 0.000 0.284 161 I C 0.888 176.935 176.117 -0.117 0.000 1.114 161 I CA 0.304 61.498 61.300 -0.175 0.000 1.418 161 I CB 1.004 38.833 38.000 -0.286 0.000 1.394 161 I HN 0.356 nan 8.210 nan 0.000 0.552 162 T N 2.434 116.933 114.554 -0.090 0.000 2.838 162 T HA 0.432 4.784 4.350 0.002 0.000 0.292 162 T C -2.351 172.347 174.700 -0.004 0.000 1.113 162 T CA -1.663 60.414 62.100 -0.038 0.000 1.008 162 T CB 1.796 70.641 68.868 -0.038 0.000 1.259 162 T HN 0.207 nan 8.240 nan 0.000 0.520 163 P HA 0.144 nan 4.420 nan 0.000 0.230 163 P C 1.116 178.431 177.300 0.026 0.000 1.158 163 P CA 0.442 63.565 63.100 0.038 0.000 0.769 163 P CB 0.135 31.854 31.700 0.031 0.000 0.807 164 R N -1.739 118.761 120.500 0.000 0.000 2.334 164 R HA 0.145 4.486 4.340 0.002 0.000 0.216 164 R C 0.225 176.508 176.300 -0.028 0.000 0.905 164 R CA 0.295 56.390 56.100 -0.009 0.000 1.064 164 R CB -0.394 29.895 30.300 -0.019 0.000 1.046 164 R HN 0.142 nan 8.270 nan 0.000 0.508 165 T N 1.963 116.482 114.554 -0.059 0.000 2.793 165 T HA 0.033 4.384 4.350 0.002 0.000 0.289 165 T C 1.149 175.803 174.700 -0.076 0.000 0.956 165 T CA 0.407 62.414 62.100 -0.155 0.000 1.177 165 T CB 1.182 69.853 68.868 -0.328 0.000 0.897 165 T HN -0.093 nan 8.240 nan 0.000 0.533 166 K N 1.184 121.557 120.400 -0.046 0.000 2.313 166 K HA 0.428 4.750 4.320 0.002 0.000 0.197 166 K C 0.558 177.277 176.600 0.198 0.000 1.061 166 K CA 0.228 56.578 56.287 0.106 0.000 0.980 166 K CB 0.716 33.291 32.500 0.125 0.000 0.888 166 K HN 0.734 nan 8.250 nan 0.000 0.502 167 A N 0.671 123.512 122.820 0.036 0.000 2.610 167 A HA 0.589 4.910 4.320 0.002 0.000 0.291 167 A C -2.069 175.476 177.584 -0.065 0.000 1.086 167 A CA -0.735 51.387 52.037 0.141 0.000 0.677 167 A CB 1.220 20.392 19.000 0.287 0.000 1.278 167 A HN 0.050 nan 8.150 nan 0.000 0.414 168 L N 1.010 122.290 121.223 0.095 0.000 2.409 168 L HA 0.759 5.100 4.340 0.002 0.000 0.272 168 L C -1.363 175.580 176.870 0.121 0.000 0.980 168 L CA -0.423 54.455 54.840 0.062 0.000 0.826 168 L CB 1.938 44.111 42.059 0.191 0.000 1.268 168 L HN 0.508 nan 8.230 nan 0.000 0.407 169 V N 5.760 125.703 119.914 0.048 0.000 2.407 169 V HA 0.601 4.722 4.120 0.002 0.000 0.278 169 V C -0.268 175.852 176.094 0.043 0.000 1.037 169 V CA -0.521 61.772 62.300 -0.012 0.000 0.900 169 V CB 1.508 33.196 31.823 -0.226 0.000 0.983 169 V HN 0.579 nan 8.190 nan 0.000 0.459 170 V N 4.831 124.796 119.914 0.085 0.000 2.604 170 V HA 0.504 4.626 4.120 0.002 0.000 0.305 170 V C -0.141 176.036 176.094 0.138 0.000 1.043 170 V CA -0.685 61.722 62.300 0.180 0.000 0.888 170 V CB 1.918 33.872 31.823 0.220 0.000 0.995 170 V HN 0.946 nan 8.190 nan 0.000 0.429 171 N N 2.327 121.120 118.700 0.156 0.000 2.540 171 N HA 0.437 5.178 4.740 0.002 0.000 0.275 171 N C -1.483 173.951 175.510 -0.127 0.000 1.053 171 N CA 0.027 53.135 53.050 0.098 0.000 0.876 171 N CB 1.495 40.143 38.487 0.269 0.000 1.284 171 N HN 0.655 nan 8.380 nan 0.000 0.518 172 S N 3.896 119.502 115.700 -0.158 0.000 2.614 172 S HA 0.478 4.949 4.470 0.002 0.000 0.275 172 S C -2.896 171.705 174.600 0.001 0.000 1.161 172 S CA -0.966 57.055 58.200 -0.298 0.000 0.969 172 S CB 1.449 64.291 63.200 -0.597 0.000 1.059 172 S HN 0.351 nan 8.310 nan 0.000 0.482 173 P HA 0.099 nan 4.420 nan 0.000 0.266 173 P C -0.676 176.537 177.300 -0.145 0.000 1.195 173 P CA -0.116 62.912 63.100 -0.120 0.000 0.768 173 P CB 0.362 31.984 31.700 -0.129 0.000 0.838 174 N N 3.084 121.662 118.700 -0.203 0.000 2.518 174 N HA 0.086 4.827 4.740 0.002 0.000 0.283 174 N C -0.742 174.646 175.510 -0.205 0.000 1.119 174 N CA -0.090 52.870 53.050 -0.150 0.000 0.983 174 N CB 0.330 38.761 38.487 -0.094 0.000 1.139 174 N HN 0.271 nan 8.380 nan 0.000 0.465 175 N N 2.960 121.565 118.700 -0.159 0.000 2.354 175 N HA 0.364 5.105 4.740 0.002 0.000 0.287 175 N C -2.276 173.101 175.510 -0.221 0.000 1.016 175 N CA -1.996 50.875 53.050 -0.298 0.000 0.871 175 N CB 1.998 40.338 38.487 -0.246 0.000 1.299 175 N HN 0.374 nan 8.380 nan 0.000 0.482 176 P HA 0.104 nan 4.420 nan 0.000 0.267 176 P C 0.720 177.738 177.300 -0.469 0.000 1.289 176 P CA 0.290 62.962 63.100 -0.715 0.000 0.866 176 P CB 0.246 31.227 31.700 -1.198 0.000 1.309 177 T N -4.204 110.103 114.554 -0.411 0.000 2.942 177 T HA 0.149 4.501 4.350 0.002 0.000 0.265 177 T C 1.725 176.346 174.700 -0.132 0.000 1.062 177 T CA 1.382 63.248 62.100 -0.388 0.000 1.139 177 T CB -1.167 67.371 68.868 -0.550 0.000 0.883 177 T HN 0.182 nan 8.240 nan 0.000 0.468 178 G N 1.383 110.118 108.800 -0.108 0.000 2.176 178 G HA2 -0.035 3.926 3.960 0.002 0.000 0.253 178 G HA3 -0.035 3.926 3.960 0.002 0.000 0.253 178 G C 0.295 175.198 174.900 0.006 0.000 0.979 178 G CA 0.079 45.147 45.100 -0.053 0.000 0.641 178 G HN 1.223 nan 8.290 nan 0.000 0.530 179 A N -0.495 122.349 122.820 0.040 0.000 2.407 179 A HA 0.680 5.002 4.320 0.002 0.000 0.248 179 A C 0.320 177.928 177.584 0.040 0.000 1.082 179 A CA 0.459 52.576 52.037 0.134 0.000 0.785 179 A CB 1.107 20.292 19.000 0.308 0.000 1.020 179 A HN 1.182 nan 8.150 nan 0.000 0.489 180 V N 3.495 123.471 119.914 0.103 0.000 2.407 180 V HA 0.257 4.378 4.120 0.002 0.000 0.291 180 V C -1.153 175.072 176.094 0.218 0.000 1.018 180 V CA -0.632 61.696 62.300 0.046 0.000 0.842 180 V CB 0.791 32.649 31.823 0.058 0.000 0.996 180 V HN 0.693 nan 8.190 nan 0.000 0.426 181 Y N 6.297 126.644 120.300 0.078 0.000 2.377 181 Y HA 0.330 4.881 4.550 0.002 0.000 0.330 181 Y C -1.586 174.340 175.900 0.044 0.000 1.108 181 Y CA -3.342 54.797 58.100 0.065 0.000 1.308 181 Y CB -0.065 38.439 38.460 0.074 0.000 1.216 181 Y HN 0.430 nan 8.280 nan 0.000 0.518 182 P HA 0.043 nan 4.420 nan 0.000 0.271 182 P C 0.683 177.979 177.300 -0.007 0.000 1.218 182 P CA -0.367 62.771 63.100 0.064 0.000 0.780 182 P CB 1.266 32.984 31.700 0.029 0.000 0.901 183 K N 2.001 122.322 120.400 -0.132 0.000 2.107 183 K HA -0.264 4.057 4.320 0.002 0.000 0.211 183 K C 1.417 177.781 176.600 -0.394 0.000 1.049 183 K CA 2.096 58.104 56.287 -0.465 0.000 0.927 183 K CB -0.140 31.970 32.500 -0.650 0.000 0.714 183 K HN 0.273 nan 8.250 nan 0.000 0.452 184 E N 0.248 120.316 120.200 -0.219 0.000 2.085 184 E HA -0.158 4.193 4.350 0.002 0.000 0.194 184 E C 1.964 178.514 176.600 -0.084 0.000 0.994 184 E CA 1.473 57.786 56.400 -0.145 0.000 0.801 184 E CB -0.153 29.492 29.700 -0.091 0.000 0.743 184 E HN 0.158 nan 8.360 nan 0.000 0.453 185 V N 0.429 120.315 119.914 -0.046 0.000 2.307 185 V HA -0.203 3.918 4.120 0.002 0.000 0.245 185 V C 2.054 178.170 176.094 0.036 0.000 1.045 185 V CA 1.108 63.400 62.300 -0.013 0.000 1.024 185 V CB -0.408 31.399 31.823 -0.026 0.000 0.651 185 V HN 0.222 nan 8.190 nan 0.000 0.449 186 L N 0.140 121.415 121.223 0.085 0.000 2.079 186 L HA -0.166 4.175 4.340 0.002 0.000 0.210 186 L C 2.473 179.440 176.870 0.162 0.000 1.081 186 L CA 1.746 56.699 54.840 0.187 0.000 0.752 186 L CB -1.259 41.007 42.059 0.344 0.000 0.896 186 L HN 0.454 nan 8.230 nan 0.000 0.433 187 E N -0.947 119.289 120.200 0.060 0.000 2.106 187 E HA -0.155 4.196 4.350 0.002 0.000 0.192 187 E C 2.243 178.860 176.600 0.029 0.000 0.984 187 E CA 1.017 57.449 56.400 0.053 0.000 0.806 187 E CB -0.136 29.528 29.700 -0.060 0.000 0.750 187 E HN 0.486 nan 8.360 nan 0.000 0.458 188 A N 1.358 124.185 122.820 0.011 0.000 1.902 188 A HA -0.156 4.165 4.320 0.002 0.000 0.217 188 A C 2.199 179.803 177.584 0.033 0.000 1.181 188 A CA 1.060 53.103 52.037 0.011 0.000 0.623 188 A CB -0.615 18.386 19.000 0.003 0.000 0.818 188 A HN 0.123 nan 8.150 nan 0.000 0.443 189 L N -0.920 120.338 121.223 0.059 0.000 2.093 189 L HA -0.156 4.185 4.340 0.002 0.000 0.208 189 L C 3.058 179.968 176.870 0.067 0.000 1.085 189 L CA 0.951 55.846 54.840 0.091 0.000 0.755 189 L CB -0.535 41.599 42.059 0.125 0.000 0.904 189 L HN 0.438 nan 8.230 nan 0.000 0.435 190 A N 0.162 123.013 122.820 0.052 0.000 1.930 190 A HA -0.174 4.148 4.320 0.002 0.000 0.217 190 A C 2.385 179.909 177.584 -0.101 0.000 1.175 190 A CA 1.233 53.269 52.037 -0.002 0.000 0.627 190 A CB -0.391 18.636 19.000 0.044 0.000 0.815 190 A HN 0.316 nan 8.150 nan 0.000 0.443 191 R N -0.541 119.918 120.500 -0.067 0.000 2.092 191 R HA 0.002 4.343 4.340 0.002 0.000 0.231 191 R C 1.979 178.199 176.300 -0.132 0.000 1.119 191 R CA 1.288 57.325 56.100 -0.104 0.000 0.970 191 R CB -0.507 29.761 30.300 -0.054 0.000 0.864 191 R HN 0.487 nan 8.270 nan 0.000 0.440 192 L N 0.245 121.432 121.223 -0.058 0.000 2.083 192 L HA -0.175 4.166 4.340 0.002 0.000 0.209 192 L C 2.646 179.353 176.870 -0.272 0.000 1.083 192 L CA 1.200 56.055 54.840 0.025 0.000 0.752 192 L CB -0.553 41.605 42.059 0.166 0.000 0.899 192 L HN 0.264 nan 8.230 nan 0.000 0.433 193 A N -0.501 121.968 122.820 -0.584 0.000 1.898 193 A HA -0.117 4.204 4.320 0.002 0.000 0.216 193 A C 2.296 179.390 177.584 -0.817 0.000 1.181 193 A CA 1.569 52.878 52.037 -1.214 0.000 0.620 193 A CB -0.626 17.987 19.000 -0.645 0.000 0.819 193 A HN 0.195 nan 8.150 nan 0.000 0.442 194 V N -0.133 119.362 119.914 -0.697 0.000 2.323 194 V HA -0.235 3.887 4.120 0.002 0.000 0.244 194 V C 2.492 178.358 176.094 -0.381 0.000 1.041 194 V CA 2.148 63.995 62.300 -0.755 0.000 1.025 194 V CB -0.741 30.744 31.823 -0.563 0.000 0.656 194 V HN 0.758 nan 8.190 nan 0.000 0.451 195 E N -0.069 119.940 120.200 -0.318 0.000 2.070 195 E HA -0.272 4.080 4.350 0.002 0.000 0.197 195 E C 1.825 178.184 176.600 -0.401 0.000 1.004 195 E CA 1.994 58.203 56.400 -0.319 0.000 0.805 195 E CB -0.068 29.453 29.700 -0.299 0.000 0.744 195 E HN 0.812 nan 8.360 nan 0.000 0.451 196 H N -0.760 118.222 119.070 -0.146 0.000 2.586 196 H HA 0.139 4.696 4.556 0.002 0.000 0.273 196 H C -0.490 174.850 175.328 0.020 0.000 0.997 196 H CA 0.504 56.550 56.048 -0.003 0.000 1.177 196 H CB 0.620 30.494 29.762 0.187 0.000 1.471 196 H HN 0.136 nan 8.280 nan 0.000 0.538 197 D N 0.262 120.644 120.400 -0.030 0.000 2.848 197 D HA -0.194 4.448 4.640 0.002 0.000 0.245 197 D C -0.995 175.360 176.300 0.091 0.000 1.122 197 D CA 0.724 54.749 54.000 0.042 0.000 0.769 197 D CB -1.301 39.526 40.800 0.045 0.000 1.025 197 D HN 0.399 nan 8.370 nan 0.000 0.423 198 F N -1.206 118.790 119.950 0.077 0.000 2.692 198 F HA 0.726 5.254 4.527 0.002 0.000 0.320 198 F C -0.924 174.871 175.800 -0.009 0.000 1.123 198 F CA -1.585 56.400 58.000 -0.026 0.000 0.961 198 F CB 0.644 39.676 39.000 0.054 0.000 1.383 198 F HN -0.168 nan 8.300 nan 0.000 0.483 199 Y N 1.887 122.461 120.300 0.457 0.000 2.299 199 Y HA 0.479 5.030 4.550 0.002 0.000 0.326 199 Y C 0.022 176.141 175.900 0.366 0.000 1.164 199 Y CA -0.866 57.407 58.100 0.288 0.000 1.234 199 Y CB 1.145 39.697 38.460 0.153 0.000 1.219 199 Y HN 0.543 nan 8.280 nan 0.000 0.497 200 L N 4.983 126.446 121.223 0.401 0.000 2.294 200 L HA 0.464 4.805 4.340 0.002 0.000 0.283 200 L C -1.297 175.683 176.870 0.183 0.000 1.015 200 L CA -0.737 54.277 54.840 0.291 0.000 0.831 200 L CB 0.735 42.914 42.059 0.200 0.000 1.217 200 L HN 0.406 nan 8.230 nan 0.000 0.420 201 V N 4.402 124.401 119.914 0.141 0.000 2.368 201 V HA 0.236 4.357 4.120 0.002 0.000 0.266 201 V C 0.601 176.718 176.094 0.040 0.000 1.045 201 V CA -0.223 62.102 62.300 0.041 0.000 0.899 201 V CB 1.219 33.036 31.823 -0.011 0.000 1.006 201 V HN 0.857 nan 8.190 nan 0.000 0.470 202 S N 3.547 119.263 115.700 0.026 0.000 2.461 202 S HA 0.248 4.719 4.470 0.002 0.000 0.322 202 S C -0.437 174.184 174.600 0.036 0.000 1.063 202 S CA -0.667 57.558 58.200 0.041 0.000 1.120 202 S CB 0.446 63.666 63.200 0.034 0.000 0.968 202 S HN 0.798 nan 8.310 nan 0.000 0.467 203 D N 3.945 124.379 120.400 0.056 0.000 2.393 203 D HA 0.180 4.822 4.640 0.002 0.000 0.232 203 D C 0.265 176.588 176.300 0.038 0.000 1.192 203 D CA -0.102 53.931 54.000 0.055 0.000 0.882 203 D CB 0.716 41.600 40.800 0.141 0.000 1.038 203 D HN 0.652 nan 8.370 nan 0.000 0.499 204 E N 2.857 123.067 120.200 0.017 0.000 2.496 204 E HA 0.053 4.404 4.350 0.002 0.000 0.200 204 E C 1.438 177.934 176.600 -0.174 0.000 1.016 204 E CA -0.101 56.303 56.400 0.008 0.000 0.962 204 E CB 0.232 30.022 29.700 0.150 0.000 1.071 204 E HN 0.507 nan 8.360 nan 0.000 0.457 205 I N -1.470 118.944 120.570 -0.261 0.000 2.530 205 I HA -0.260 3.912 4.170 0.002 0.000 0.257 205 I C 1.293 177.060 176.117 -0.583 0.000 1.179 205 I CA 1.450 62.478 61.300 -0.454 0.000 1.440 205 I CB -0.847 36.791 38.000 -0.605 0.000 1.087 205 I HN 0.105 nan 8.210 nan 0.000 0.440 206 Y N 1.744 121.865 120.300 -0.298 0.000 2.493 206 Y HA 0.137 4.688 4.550 0.003 0.000 0.275 206 Y C 2.170 177.837 175.900 -0.387 0.000 1.183 206 Y CA -0.018 57.885 58.100 -0.330 0.000 1.258 206 Y CB -0.825 37.435 38.460 -0.332 0.000 1.108 206 Y HN 0.406 nan 8.280 nan 0.000 0.521 207 E N -0.424 119.496 120.200 -0.466 0.000 2.147 207 E HA -0.308 4.044 4.350 0.002 0.000 0.199 207 E C 0.763 177.063 176.600 -0.500 0.000 1.005 207 E CA 2.291 58.216 56.400 -0.792 0.000 0.810 207 E CB -0.569 28.394 29.700 -1.228 0.000 0.736 207 E HN 0.634 nan 8.360 nan 0.000 0.460 208 H N 0.021 118.946 119.070 -0.242 0.000 2.548 208 H HA 0.208 4.765 4.556 0.002 0.000 0.268 208 H C 0.368 175.619 175.328 -0.129 0.000 0.975 208 H CA 0.058 56.009 56.048 -0.161 0.000 1.195 208 H CB 0.304 29.971 29.762 -0.159 0.000 1.397 208 H HN 0.098 nan 8.280 nan 0.000 0.572 209 L N 1.987 123.177 121.223 -0.055 0.000 2.598 209 L HA 0.228 4.570 4.340 0.002 0.000 0.241 209 L C -0.961 175.630 176.870 -0.464 0.000 1.244 209 L CA -0.375 54.387 54.840 -0.130 0.000 1.198 209 L CB 0.113 42.152 42.059 -0.034 0.000 1.448 209 L HN 0.137 nan 8.230 nan 0.000 0.406 210 L N 0.308 121.253 121.223 -0.463 0.000 2.349 210 L HA 0.360 4.701 4.340 0.002 0.000 0.278 210 L C 0.043 176.617 176.870 -0.494 0.000 0.996 210 L CA -0.153 54.408 54.840 -0.465 0.000 0.825 210 L CB 1.549 43.512 42.059 -0.161 0.000 1.243 210 L HN 0.112 nan 8.230 nan 0.000 0.412 211 Y N 1.911 122.259 120.300 0.080 0.000 2.436 211 Y HA 0.310 4.862 4.550 0.002 0.000 0.288 211 Y C 0.497 176.435 175.900 0.063 0.000 1.112 211 Y CA -0.189 57.958 58.100 0.077 0.000 1.220 211 Y CB 0.225 38.735 38.460 0.084 0.000 1.073 211 Y HN 0.542 nan 8.280 nan 0.000 0.552 212 E N -0.699 119.583 120.200 0.137 0.000 2.363 212 E HA 0.508 4.859 4.350 0.002 0.000 0.281 212 E C -0.028 176.619 176.600 0.078 0.000 0.953 212 E CA -0.257 56.206 56.400 0.105 0.000 0.778 212 E CB 1.904 31.673 29.700 0.114 0.000 1.220 212 E HN 0.225 nan 8.360 nan 0.000 0.431 213 G N 1.839 110.681 108.800 0.070 0.000 2.526 213 G HA2 -0.095 3.866 3.960 0.002 0.000 0.250 213 G HA3 -0.095 3.866 3.960 0.002 0.000 0.250 213 G C -1.174 173.769 174.900 0.072 0.000 1.289 213 G CA -0.355 44.785 45.100 0.067 0.000 0.947 213 G HN 0.632 nan 8.290 nan 0.000 0.517 214 E N -0.683 119.567 120.200 0.083 0.000 2.343 214 E HA 0.447 4.798 4.350 0.002 0.000 0.270 214 E C -1.187 175.499 176.600 0.143 0.000 0.895 214 E CA -0.874 55.591 56.400 0.108 0.000 0.767 214 E CB 2.245 32.008 29.700 0.105 0.000 1.248 214 E HN 0.621 nan 8.360 nan 0.000 0.440 215 H N 1.849 120.957 119.070 0.064 0.000 2.705 215 H HA 0.257 4.814 4.556 0.002 0.000 0.291 215 H C -1.518 173.884 175.328 0.122 0.000 1.085 215 H CA -0.293 55.790 56.048 0.058 0.000 1.357 215 H CB 0.008 29.760 29.762 -0.017 0.000 1.419 215 H HN 0.303 nan 8.280 nan 0.000 0.462 216 F N 3.758 123.465 119.950 -0.405 0.000 2.421 216 F HA 0.445 4.974 4.527 0.003 0.000 0.337 216 F C -0.545 175.030 175.800 -0.376 0.000 1.105 216 F CA -0.545 57.293 58.000 -0.269 0.000 1.049 216 F CB 1.359 40.287 39.000 -0.121 0.000 1.139 216 F HN 0.425 nan 8.300 nan 0.000 0.479 217 S N 8.073 123.174 115.700 -0.998 0.000 2.448 217 S HA 0.255 4.727 4.470 0.002 0.000 0.320 217 S C -1.918 172.196 174.600 -0.811 0.000 1.071 217 S CA -1.002 56.800 58.200 -0.665 0.000 1.113 217 S CB 1.475 64.471 63.200 -0.340 0.000 0.972 217 S HN 0.512 nan 8.310 nan 0.000 0.465 218 P HA -0.116 nan 4.420 nan 0.000 0.218 218 P C 1.605 178.843 177.300 -0.104 0.000 1.146 218 P CA 0.839 63.887 63.100 -0.087 0.000 0.813 218 P CB 0.011 31.739 31.700 0.047 0.000 0.778 219 G N -0.263 108.451 108.800 -0.144 0.000 2.501 219 G HA2 -0.255 3.707 3.960 0.002 0.000 0.220 219 G HA3 -0.255 3.707 3.960 0.002 0.000 0.220 219 G C 1.506 176.349 174.900 -0.094 0.000 1.114 219 G CA 0.342 45.384 45.100 -0.098 0.000 0.757 219 G HN 0.292 nan 8.290 nan 0.000 0.559 220 R N -0.465 119.939 120.500 -0.158 0.000 2.092 220 R HA 0.022 4.364 4.340 0.002 0.000 0.231 220 R C 2.463 178.759 176.300 -0.006 0.000 1.119 220 R CA 1.036 57.080 56.100 -0.093 0.000 0.970 220 R CB -0.276 29.937 30.300 -0.144 0.000 0.864 220 R HN 0.337 nan 8.270 nan 0.000 0.440 221 V N 0.296 120.226 119.914 0.026 0.000 2.379 221 V HA 0.040 4.161 4.120 0.002 0.000 0.243 221 V C 1.054 177.155 176.094 0.012 0.000 1.035 221 V CA 1.451 63.783 62.300 0.054 0.000 1.035 221 V CB 0.030 31.918 31.823 0.108 0.000 0.673 221 V HN 0.303 nan 8.190 nan 0.000 0.457 222 A N 0.672 123.496 122.820 0.006 0.000 3.105 222 A HA 0.510 4.831 4.320 0.002 0.000 0.336 222 A C -1.322 176.300 177.584 0.063 0.000 1.042 222 A CA -0.990 51.055 52.037 0.013 0.000 0.851 222 A CB 0.271 19.235 19.000 -0.061 0.000 1.068 222 A HN 0.316 nan 8.150 nan 0.000 0.477 223 P HA -0.196 nan 4.420 nan 0.000 0.218 223 P C 0.655 177.983 177.300 0.047 0.000 1.148 223 P CA 1.326 64.441 63.100 0.024 0.000 0.822 223 P CB 0.338 32.041 31.700 0.005 0.000 0.784 224 E N -1.852 118.400 120.200 0.087 0.000 2.489 224 E HA -0.048 4.304 4.350 0.002 0.000 0.193 224 E C 0.889 177.457 176.600 -0.054 0.000 1.057 224 E CA 0.221 56.637 56.400 0.028 0.000 0.866 224 E CB -0.206 29.491 29.700 -0.005 0.000 0.916 224 E HN 0.507 nan 8.360 nan 0.000 0.500 225 H N -1.417 117.664 119.070 0.019 0.000 3.255 225 H HA 0.153 4.710 4.556 0.002 0.000 0.256 225 H C -0.102 175.309 175.328 0.138 0.000 1.049 225 H CA 0.295 56.364 56.048 0.035 0.000 1.202 225 H CB 1.063 30.783 29.762 -0.070 0.000 1.497 225 H HN -0.127 nan 8.280 nan 0.000 0.503 226 T N 1.645 116.307 114.554 0.181 0.000 2.799 226 T HA 0.470 4.821 4.350 0.002 0.000 0.286 226 T C -0.240 174.477 174.700 0.029 0.000 0.973 226 T CA -0.524 61.639 62.100 0.105 0.000 1.035 226 T CB 1.423 70.316 68.868 0.042 0.000 0.932 226 T HN 0.055 nan 8.240 nan 0.000 0.469 227 L N 3.349 124.573 121.223 0.000 0.000 2.318 227 L HA 0.352 4.693 4.340 0.002 0.000 0.277 227 L C 0.237 177.051 176.870 -0.093 0.000 1.008 227 L CA -0.578 54.211 54.840 -0.085 0.000 0.846 227 L CB 1.269 43.246 42.059 -0.136 0.000 1.220 227 L HN 0.644 nan 8.230 nan 0.000 0.423 228 T N 2.841 117.307 114.554 -0.146 0.000 2.743 228 T HA 0.396 4.748 4.350 0.002 0.000 0.293 228 T C 0.040 174.686 174.700 -0.089 0.000 0.945 228 T CA -0.314 61.708 62.100 -0.130 0.000 1.030 228 T CB 1.281 70.013 68.868 -0.226 0.000 0.912 228 T HN 0.111 nan 8.240 nan 0.000 0.483 229 V N 5.262 125.164 119.914 -0.019 0.000 2.435 229 V HA 0.593 4.714 4.120 0.002 0.000 0.290 229 V C 0.235 176.346 176.094 0.029 0.000 1.030 229 V CA -0.718 61.585 62.300 0.004 0.000 0.881 229 V CB 1.658 33.471 31.823 -0.017 0.000 0.983 229 V HN 0.803 nan 8.190 nan 0.000 0.445 230 N N 1.516 120.230 118.700 0.023 0.000 3.344 230 N HA 0.791 5.533 4.740 0.002 0.000 0.296 230 N C -0.608 174.633 175.510 -0.448 0.000 1.571 230 N CA 0.314 53.314 53.050 -0.082 0.000 0.844 230 N CB 2.518 41.125 38.487 0.200 0.000 1.718 230 N HN 0.923 nan 8.380 nan 0.000 0.589 231 G N -1.570 106.830 108.800 -0.666 0.000 2.368 231 G HA2 0.499 4.461 3.960 0.002 0.000 0.293 231 G HA3 0.499 4.461 3.960 0.002 0.000 0.293 231 G C -0.543 174.080 174.900 -0.462 0.000 1.467 231 G CA 0.211 44.739 45.100 -0.953 0.000 0.804 231 G HN 0.581 nan 8.290 nan 0.000 0.535 232 A N -0.352 122.336 122.820 -0.219 0.000 2.169 232 A HA 0.555 4.876 4.320 0.002 0.000 0.212 232 A C 2.543 180.125 177.584 -0.003 0.000 1.153 232 A CA 1.840 53.940 52.037 0.104 0.000 0.756 232 A CB -0.620 18.550 19.000 0.284 0.000 0.813 232 A HN 2.063 nan 8.150 nan 0.000 0.471 233 A N 1.193 123.969 122.820 -0.073 0.000 1.859 233 A HA -0.256 4.066 4.320 0.002 0.000 0.218 233 A C 2.068 179.652 177.584 0.000 0.000 1.242 233 A CA 2.133 54.154 52.037 -0.026 0.000 0.661 233 A CB -0.435 18.526 19.000 -0.065 0.000 0.842 233 A HN 0.378 nan 8.150 nan 0.000 0.455 234 K N -0.592 119.748 120.400 -0.100 0.000 2.137 234 K HA 0.182 4.504 4.320 0.002 0.000 0.202 234 K C 2.251 178.881 176.600 0.051 0.000 1.052 234 K CA 1.154 57.448 56.287 0.011 0.000 0.961 234 K CB -0.863 31.521 32.500 -0.194 0.000 0.741 234 K HN 0.470 nan 8.250 nan 0.000 0.452 235 A N 0.876 123.592 122.820 -0.174 0.000 1.898 235 A HA -0.073 4.248 4.320 0.002 0.000 0.216 235 A C 1.204 178.615 177.584 -0.287 0.000 1.181 235 A CA 1.218 53.057 52.037 -0.330 0.000 0.620 235 A CB -0.404 18.187 19.000 -0.682 0.000 0.819 235 A HN 0.227 nan 8.150 nan 0.000 0.442 236 F N -1.439 118.607 119.950 0.160 0.000 2.668 236 F HA 0.580 5.109 4.527 0.002 0.000 0.301 236 F C 1.194 176.945 175.800 -0.081 0.000 1.106 236 F CA -0.645 57.360 58.000 0.009 0.000 1.289 236 F CB -0.443 38.451 39.000 -0.176 0.000 1.006 236 F HN 0.306 nan 8.300 nan 0.000 0.535 237 A N 0.777 123.753 122.820 0.260 0.000 2.610 237 A HA -0.262 4.059 4.320 0.002 0.000 0.299 237 A C 0.597 178.282 177.584 0.169 0.000 1.487 237 A CA 1.070 53.262 52.037 0.258 0.000 0.743 237 A CB -2.176 17.038 19.000 0.358 0.000 1.070 237 A HN 0.473 nan 8.150 nan 0.000 0.439 238 M N 0.172 119.858 119.600 0.144 0.000 2.876 238 M HA 0.064 4.545 4.480 0.002 0.000 0.367 238 M C 1.692 178.162 176.300 0.284 0.000 1.242 238 M CA 0.595 55.999 55.300 0.174 0.000 0.889 238 M CB 0.189 32.703 32.600 -0.144 0.000 1.353 238 M HN 0.758 nan 8.290 nan 0.000 0.511 239 T N -2.691 112.004 114.554 0.235 0.000 2.759 239 T HA -0.106 4.246 4.350 0.002 0.000 0.269 239 T C 1.801 176.612 174.700 0.186 0.000 1.042 239 T CA 1.780 63.988 62.100 0.180 0.000 1.140 239 T CB -0.477 68.486 68.868 0.159 0.000 0.864 239 T HN 0.575 nan 8.240 nan 0.000 0.455 240 G N -0.749 108.180 108.800 0.215 0.000 2.712 240 G HA2 0.095 4.056 3.960 0.002 0.000 0.212 240 G HA3 0.095 4.056 3.960 0.002 0.000 0.212 240 G C 0.927 175.872 174.900 0.074 0.000 1.142 240 G CA -0.218 44.944 45.100 0.103 0.000 0.789 240 G HN 0.586 nan 8.290 nan 0.000 0.535 241 W N 0.134 121.449 121.300 0.026 0.000 2.584 241 W HA 0.263 4.924 4.660 0.002 0.000 0.264 241 W C 0.854 177.387 176.519 0.024 0.000 1.264 241 W CA -0.142 57.218 57.345 0.024 0.000 1.306 241 W CB 0.322 29.797 29.460 0.026 0.000 1.110 241 W HN -0.027 nan 8.180 nan 0.000 0.606 242 R N 0.199 120.837 120.500 0.231 0.000 3.209 242 R HA -0.173 4.168 4.340 0.002 0.000 0.252 242 R C -0.956 175.418 176.300 0.123 0.000 0.958 242 R CA 0.676 56.856 56.100 0.133 0.000 0.651 242 R CB -2.845 27.507 30.300 0.086 0.000 1.142 242 R HN 0.108 nan 8.270 nan 0.000 0.441 243 I N 0.112 120.752 120.570 0.117 0.000 2.439 243 I HA 0.493 4.665 4.170 0.002 0.000 0.285 243 I C 1.047 177.149 176.117 -0.026 0.000 1.021 243 I CA -0.271 61.084 61.300 0.092 0.000 1.091 243 I CB 1.875 39.962 38.000 0.146 0.000 1.242 243 I HN 0.317 nan 8.210 nan 0.000 0.439 244 G N 5.866 114.629 108.800 -0.063 0.000 2.714 244 G HA2 0.831 4.792 3.960 0.002 0.000 0.292 244 G HA3 0.831 4.792 3.960 0.002 0.000 0.292 244 G C -1.880 172.923 174.900 -0.162 0.000 1.308 244 G CA -0.415 44.508 45.100 -0.295 0.000 0.964 244 G HN 0.478 nan 8.290 nan 0.000 0.484 245 Y N -2.943 117.402 120.300 0.075 0.000 2.624 245 Y HA 0.824 5.375 4.550 0.002 0.000 0.334 245 Y C -0.191 175.820 175.900 0.185 0.000 1.155 245 Y CA -1.434 56.741 58.100 0.125 0.000 1.046 245 Y CB 1.172 39.715 38.460 0.139 0.000 1.316 245 Y HN 1.066 nan 8.280 nan 0.000 0.457 246 A N 0.398 123.426 122.820 0.346 0.000 2.609 246 A HA 0.917 5.239 4.320 0.002 0.000 0.291 246 A C -1.104 176.448 177.584 -0.054 0.000 1.096 246 A CA -0.335 51.776 52.037 0.123 0.000 0.684 246 A CB 1.046 20.051 19.000 0.009 0.000 1.282 246 A HN 1.828 nan 8.150 nan 0.000 0.412 247 C N -1.028 118.067 119.300 -0.341 0.000 3.173 247 C HA 1.084 5.546 4.460 0.002 0.000 0.310 247 C C 0.316 175.141 174.990 -0.274 0.000 1.306 247 C CA 0.207 59.001 59.018 -0.372 0.000 1.426 247 C CB 1.099 28.404 27.740 -0.724 0.000 1.800 247 C HN 2.720 nan 8.230 nan 0.000 0.470 248 G N 0.736 109.429 108.800 -0.179 0.000 2.344 248 G HA2 0.551 4.512 3.960 0.002 0.000 0.282 248 G HA3 0.551 4.512 3.960 0.002 0.000 0.282 248 G C -3.568 171.290 174.900 -0.070 0.000 1.281 248 G CA -0.717 44.313 45.100 -0.118 0.000 0.877 248 G HN 0.596 nan 8.290 nan 0.000 0.494 249 P HA 0.131 nan 4.420 nan 0.000 0.261 249 P C 0.780 178.064 177.300 -0.025 0.000 1.183 249 P CA 0.282 63.375 63.100 -0.013 0.000 0.761 249 P CB 0.962 32.682 31.700 0.033 0.000 0.785 250 K N 4.481 124.869 120.400 -0.020 0.000 2.089 250 K HA -0.271 4.051 4.320 0.002 0.000 0.210 250 K C 1.670 178.259 176.600 -0.018 0.000 1.048 250 K CA 2.216 58.492 56.287 -0.019 0.000 0.926 250 K CB -0.017 32.475 32.500 -0.013 0.000 0.714 250 K HN 0.573 nan 8.250 nan 0.000 0.448 251 E N -0.239 119.954 120.200 -0.011 0.000 2.153 251 E HA -0.150 4.201 4.350 0.002 0.000 0.194 251 E C 1.759 178.346 176.600 -0.023 0.000 0.988 251 E CA 1.437 57.832 56.400 -0.008 0.000 0.811 251 E CB -0.190 29.514 29.700 0.006 0.000 0.746 251 E HN 0.128 nan 8.360 nan 0.000 0.466 252 V N 1.391 121.280 119.914 -0.041 0.000 2.379 252 V HA -0.187 3.935 4.120 0.002 0.000 0.245 252 V C 2.425 178.468 176.094 -0.086 0.000 1.044 252 V CA 1.032 63.276 62.300 -0.095 0.000 1.036 252 V CB -0.369 31.346 31.823 -0.180 0.000 0.664 252 V HN 0.318 nan 8.190 nan 0.000 0.453 253 I N 0.705 121.234 120.570 -0.067 0.000 2.226 253 I HA -0.246 3.926 4.170 0.002 0.000 0.245 253 I C 2.490 178.587 176.117 -0.032 0.000 1.100 253 I CA 1.884 63.154 61.300 -0.051 0.000 1.374 253 I CB -1.114 36.862 38.000 -0.041 0.000 1.057 253 I HN 0.433 nan 8.210 nan 0.000 0.413 254 K N 1.510 121.894 120.400 -0.026 0.000 2.057 254 K HA -0.164 4.158 4.320 0.002 0.000 0.207 254 K C 2.183 178.773 176.600 -0.017 0.000 1.049 254 K CA 1.691 57.968 56.287 -0.016 0.000 0.931 254 K CB -0.031 32.462 32.500 -0.013 0.000 0.714 254 K HN 0.200 nan 8.250 nan 0.000 0.440 255 A N 1.416 124.220 122.820 -0.026 0.000 1.902 255 A HA -0.145 4.176 4.320 0.002 0.000 0.217 255 A C 2.179 179.748 177.584 -0.025 0.000 1.181 255 A CA 1.725 53.746 52.037 -0.026 0.000 0.623 255 A CB -0.472 18.505 19.000 -0.038 0.000 0.818 255 A HN 0.397 nan 8.150 nan 0.000 0.443 256 M N -0.607 118.972 119.600 -0.035 0.000 2.159 256 M HA -0.145 4.336 4.480 0.002 0.000 0.263 256 M C 2.474 178.776 176.300 0.004 0.000 1.063 256 M CA 1.403 56.689 55.300 -0.024 0.000 1.110 256 M CB -0.352 32.224 32.600 -0.040 0.000 1.374 256 M HN 0.481 nan 8.290 nan 0.000 0.411 257 A N -0.644 122.176 122.820 0.001 0.000 1.969 257 A HA -0.112 4.209 4.320 0.002 0.000 0.218 257 A C 2.250 179.841 177.584 0.012 0.000 1.169 257 A CA 1.890 53.933 52.037 0.010 0.000 0.635 257 A CB -0.632 18.371 19.000 0.005 0.000 0.810 257 A HN 0.427 nan 8.150 nan 0.000 0.445 258 S N -0.409 115.295 115.700 0.007 0.000 2.383 258 S HA -0.111 4.361 4.470 0.002 0.000 0.227 258 S C 1.855 176.468 174.600 0.021 0.000 1.026 258 S CA 1.400 59.605 58.200 0.009 0.000 0.981 258 S CB -0.342 62.860 63.200 0.003 0.000 0.818 258 S HN 0.370 nan 8.310 nan 0.000 0.472 259 V N 1.507 121.438 119.914 0.029 0.000 2.427 259 V HA -0.118 4.003 4.120 0.002 0.000 0.248 259 V C 2.352 178.490 176.094 0.073 0.000 1.051 259 V CA 1.659 63.994 62.300 0.057 0.000 1.048 259 V CB -0.853 31.011 31.823 0.067 0.000 0.666 259 V HN 0.403 nan 8.190 nan 0.000 0.456 260 S N -0.499 115.237 115.700 0.060 0.000 2.368 260 S HA -0.203 4.269 4.470 0.002 0.000 0.224 260 S C 2.126 176.749 174.600 0.037 0.000 1.029 260 S CA 1.531 59.765 58.200 0.057 0.000 0.988 260 S CB -0.374 62.855 63.200 0.048 0.000 0.838 260 S HN 0.523 nan 8.310 nan 0.000 0.462 261 R N 0.905 121.418 120.500 0.021 0.000 2.105 261 R HA -0.083 4.259 4.340 0.002 0.000 0.239 261 R C 1.345 177.646 176.300 0.002 0.000 1.135 261 R CA 1.202 57.302 56.100 -0.000 0.000 0.967 261 R CB -0.067 30.229 30.300 -0.007 0.000 0.861 261 R HN 0.278 nan 8.270 nan 0.000 0.442 262 Q N -0.680 119.133 119.800 0.021 0.000 2.320 262 Q HA 0.047 4.388 4.340 0.002 0.000 0.201 262 Q C 1.097 177.124 176.000 0.044 0.000 0.910 262 Q CA 0.676 56.496 55.803 0.028 0.000 0.946 262 Q CB 1.340 30.099 28.738 0.034 0.000 1.062 262 Q HN 0.443 nan 8.270 nan 0.000 0.503 263 S N -1.286 114.444 115.700 0.050 0.000 3.597 263 S HA 0.001 4.473 4.470 0.002 0.000 0.206 263 S C 1.763 176.387 174.600 0.040 0.000 0.948 263 S CA 0.571 58.805 58.200 0.057 0.000 0.863 263 S CB -0.338 62.916 63.200 0.090 0.000 1.015 263 S HN 0.203 nan 8.310 nan 0.000 0.616 264 T N -1.451 113.128 114.554 0.041 0.000 3.044 264 T HA 0.316 4.668 4.350 0.002 0.000 0.250 264 T C 1.102 175.833 174.700 0.050 0.000 1.081 264 T CA 1.091 63.216 62.100 0.041 0.000 1.040 264 T CB -0.306 68.586 68.868 0.039 0.000 0.962 264 T HN 0.510 nan 8.240 nan 0.000 0.506 265 T N 0.200 114.773 114.554 0.032 0.000 13.029 265 T HA -0.221 4.130 4.350 0.002 0.000 0.417 265 T C 0.248 174.965 174.700 0.029 0.000 1.457 265 T CA 1.492 63.596 62.100 0.005 0.000 2.388 265 T CB -1.814 67.047 68.868 -0.013 0.000 2.799 265 T HN 0.936 nan 8.240 nan 0.000 0.661 266 S N 0.786 116.526 115.700 0.068 0.000 2.622 266 S HA 0.540 5.011 4.470 0.002 0.000 0.275 266 S C -3.167 171.485 174.600 0.086 0.000 1.112 266 S CA -0.954 57.291 58.200 0.074 0.000 0.837 266 S CB 1.616 64.868 63.200 0.087 0.000 1.082 266 S HN 0.167 nan 8.310 nan 0.000 0.456 267 P HA 0.220 nan 4.420 nan 0.000 0.274 267 P C -1.085 176.269 177.300 0.091 0.000 1.246 267 P CA -0.315 62.833 63.100 0.079 0.000 0.795 267 P CB 0.315 32.061 31.700 0.077 0.000 1.006 268 D N 0.295 120.751 120.400 0.093 0.000 2.581 268 D HA -0.067 4.574 4.640 0.002 0.000 0.238 268 D C 0.727 177.101 176.300 0.123 0.000 1.145 268 D CA 0.850 54.909 54.000 0.098 0.000 0.866 268 D CB 0.473 41.328 40.800 0.092 0.000 1.151 268 D HN 0.231 nan 8.370 nan 0.000 0.500 269 T N 4.360 118.995 114.554 0.135 0.000 2.746 269 T HA -0.145 4.207 4.350 0.002 0.000 0.267 269 T C 1.992 176.875 174.700 0.305 0.000 1.039 269 T CA 0.813 63.030 62.100 0.195 0.000 1.142 269 T CB 0.003 69.002 68.868 0.218 0.000 0.866 269 T HN 0.432 nan 8.240 nan 0.000 0.444 270 I N 1.683 122.405 120.570 0.252 0.000 2.226 270 I HA -0.109 4.063 4.170 0.002 0.000 0.245 270 I C 2.728 179.053 176.117 0.345 0.000 1.100 270 I CA 1.118 62.589 61.300 0.285 0.000 1.374 270 I CB -0.602 37.500 38.000 0.170 0.000 1.057 270 I HN 0.168 nan 8.210 nan 0.000 0.413 271 A N -0.431 122.583 122.820 0.323 0.000 1.969 271 A HA -0.223 4.099 4.320 0.002 0.000 0.218 271 A C 2.270 179.985 177.584 0.218 0.000 1.169 271 A CA 1.376 53.668 52.037 0.424 0.000 0.635 271 A CB -0.544 18.705 19.000 0.414 0.000 0.810 271 A HN 0.503 nan 8.150 nan 0.000 0.445 272 Q N -1.651 118.224 119.800 0.127 0.000 2.079 272 Q HA -0.213 4.128 4.340 0.002 0.000 0.200 272 Q C 1.904 177.827 176.000 -0.129 0.000 0.974 272 Q CA 1.613 57.390 55.803 -0.042 0.000 0.840 272 Q CB -0.222 28.427 28.738 -0.148 0.000 0.898 272 Q HN 0.910 nan 8.270 nan 0.000 0.430 273 W N 0.287 121.607 121.300 0.034 0.000 2.436 273 W HA -0.055 4.606 4.660 0.002 0.000 0.284 273 W C 2.412 178.907 176.519 -0.039 0.000 1.225 273 W CA 0.846 58.192 57.345 0.002 0.000 1.271 273 W CB -0.088 29.381 29.460 0.016 0.000 1.114 273 W HN 0.147 nan 8.180 nan 0.000 0.559 274 A N -0.352 122.566 122.820 0.164 0.000 1.898 274 A HA -0.149 4.173 4.320 0.002 0.000 0.216 274 A C 1.870 179.327 177.584 -0.211 0.000 1.181 274 A CA 2.105 54.112 52.037 -0.050 0.000 0.620 274 A CB -1.177 17.742 19.000 -0.135 0.000 0.819 274 A HN 0.185 nan 8.150 nan 0.000 0.442 275 T N 0.361 114.815 114.554 -0.167 0.000 2.833 275 T HA -0.073 4.278 4.350 0.002 0.000 0.269 275 T C 1.798 176.388 174.700 -0.184 0.000 1.054 275 T CA 1.083 63.074 62.100 -0.183 0.000 1.135 275 T CB -0.324 68.515 68.868 -0.049 0.000 0.869 275 T HN 0.346 nan 8.240 nan 0.000 0.466 276 L N 0.945 122.082 121.223 -0.142 0.000 2.042 276 L HA -0.176 4.165 4.340 0.002 0.000 0.210 276 L C 2.710 179.512 176.870 -0.113 0.000 1.076 276 L CA 1.890 56.650 54.840 -0.134 0.000 0.749 276 L CB -0.340 41.665 42.059 -0.091 0.000 0.893 276 L HN 0.266 nan 8.230 nan 0.000 0.432 277 E N 0.133 120.274 120.200 -0.098 0.000 2.110 277 E HA -0.195 4.156 4.350 0.002 0.000 0.193 277 E C 1.970 178.473 176.600 -0.160 0.000 0.988 277 E CA 1.531 57.876 56.400 -0.092 0.000 0.804 277 E CB -0.118 29.529 29.700 -0.088 0.000 0.745 277 E HN 0.476 nan 8.360 nan 0.000 0.458 278 A N 0.222 122.840 122.820 -0.336 0.000 1.972 278 A HA -0.094 4.227 4.320 0.002 0.000 0.219 278 A C 2.203 179.520 177.584 -0.447 0.000 1.169 278 A CA 1.345 53.048 52.037 -0.557 0.000 0.635 278 A CB -0.496 17.952 19.000 -0.920 0.000 0.810 278 A HN 0.350 nan 8.150 nan 0.000 0.446 279 L N -0.689 120.364 121.223 -0.283 0.000 2.249 279 L HA -0.055 4.286 4.340 0.002 0.000 0.207 279 L C 2.830 179.620 176.870 -0.132 0.000 1.090 279 L CA 1.533 56.260 54.840 -0.189 0.000 0.802 279 L CB -0.540 41.398 42.059 -0.203 0.000 0.947 279 L HN 0.604 nan 8.230 nan 0.000 0.453 280 T N -4.357 110.129 114.554 -0.114 0.000 3.009 280 T HA -0.121 4.230 4.350 0.002 0.000 0.258 280 T C 1.089 175.749 174.700 -0.066 0.000 1.063 280 T CA 0.296 62.351 62.100 -0.075 0.000 1.139 280 T CB -0.462 68.376 68.868 -0.051 0.000 0.890 280 T HN 0.207 nan 8.240 nan 0.000 0.471 281 N N 1.365 120.023 118.700 -0.070 0.000 3.298 281 N HA 0.136 4.878 4.740 0.002 0.000 0.292 281 N C 1.237 176.671 175.510 -0.127 0.000 1.271 281 N CA -0.309 52.690 53.050 -0.084 0.000 1.184 281 N CB 0.115 38.569 38.487 -0.054 0.000 1.452 281 N HN 0.416 nan 8.380 nan 0.000 0.534 282 Q N 0.242 119.985 119.800 -0.095 0.000 2.152 282 Q HA -0.267 4.074 4.340 0.002 0.000 0.206 282 Q C 1.558 177.501 176.000 -0.095 0.000 0.985 282 Q CA 1.394 57.148 55.803 -0.081 0.000 0.863 282 Q CB 0.078 28.785 28.738 -0.051 0.000 0.904 282 Q HN 0.651 nan 8.270 nan 0.000 0.422 283 E N 0.395 120.530 120.200 -0.110 0.000 2.017 283 E HA -0.214 4.137 4.350 0.002 0.000 0.193 283 E C 1.952 178.453 176.600 -0.165 0.000 0.997 283 E CA 1.081 57.414 56.400 -0.112 0.000 0.804 283 E CB -0.103 29.537 29.700 -0.099 0.000 0.757 283 E HN 0.353 nan 8.360 nan 0.000 0.448 284 A N 0.309 122.953 122.820 -0.294 0.000 1.933 284 A HA -0.131 4.191 4.320 0.002 0.000 0.218 284 A C 2.343 179.666 177.584 -0.436 0.000 1.175 284 A CA 1.761 53.502 52.037 -0.493 0.000 0.628 284 A CB -0.424 18.003 19.000 -0.954 0.000 0.814 284 A HN 0.271 nan 8.150 nan 0.000 0.444 285 S N -0.968 114.540 115.700 -0.320 0.000 2.371 285 S HA -0.097 4.374 4.470 0.002 0.000 0.224 285 S C 2.089 176.746 174.600 0.095 0.000 1.029 285 S CA 0.964 59.160 58.200 -0.007 0.000 0.978 285 S CB -0.316 62.835 63.200 -0.081 0.000 0.833 285 S HN 0.618 nan 8.310 nan 0.000 0.466 286 R N 1.291 121.787 120.500 -0.007 0.000 2.083 286 R HA -0.122 4.220 4.340 0.002 0.000 0.237 286 R C 2.391 178.683 176.300 -0.014 0.000 1.137 286 R CA 1.472 57.562 56.100 -0.017 0.000 0.951 286 R CB -0.537 29.740 30.300 -0.038 0.000 0.851 286 R HN 0.400 nan 8.270 nan 0.000 0.434 287 A N 0.327 123.134 122.820 -0.022 0.000 1.908 287 A HA -0.212 4.109 4.320 0.002 0.000 0.218 287 A C 1.967 179.542 177.584 -0.014 0.000 1.181 287 A CA 1.391 53.411 52.037 -0.028 0.000 0.627 287 A CB -0.742 18.236 19.000 -0.037 0.000 0.818 287 A HN 0.518 nan 8.150 nan 0.000 0.445 288 F N 0.562 120.469 119.950 -0.071 0.000 2.113 288 F HA -0.116 4.413 4.527 0.003 0.000 0.297 288 F C 2.248 177.980 175.800 -0.113 0.000 1.103 288 F CA 1.836 59.791 58.000 -0.076 0.000 1.248 288 F CB -0.368 38.651 39.000 0.033 0.000 0.999 288 F HN 0.018 nan 8.300 nan 0.000 0.475 289 V N 0.923 120.819 119.914 -0.031 0.000 2.332 289 V HA -0.286 3.835 4.120 0.002 0.000 0.248 289 V C 2.429 178.397 176.094 -0.210 0.000 1.055 289 V CA 2.220 64.437 62.300 -0.137 0.000 1.038 289 V CB -0.701 31.071 31.823 -0.084 0.000 0.651 289 V HN 0.331 nan 8.190 nan 0.000 0.450 290 E N -0.447 119.659 120.200 -0.156 0.000 2.072 290 E HA -0.246 4.105 4.350 0.002 0.000 0.191 290 E C 2.092 178.573 176.600 -0.199 0.000 0.985 290 E CA 1.532 57.856 56.400 -0.127 0.000 0.801 290 E CB -0.490 29.162 29.700 -0.080 0.000 0.750 290 E HN 0.623 nan 8.360 nan 0.000 0.452 291 M N 0.755 120.175 119.600 -0.300 0.000 2.086 291 M HA -0.148 4.333 4.480 0.002 0.000 0.261 291 M C 2.225 178.199 176.300 -0.543 0.000 1.067 291 M CA 2.000 57.078 55.300 -0.371 0.000 1.116 291 M CB -0.113 32.238 32.600 -0.414 0.000 1.348 291 M HN 0.081 nan 8.290 nan 0.000 0.407 292 A N 0.687 122.986 122.820 -0.868 0.000 1.877 292 A HA -0.217 4.104 4.320 0.002 0.000 0.216 292 A C 2.253 179.442 177.584 -0.658 0.000 1.186 292 A CA 1.917 53.308 52.037 -1.076 0.000 0.620 292 A CB -0.907 17.391 19.000 -1.169 0.000 0.822 292 A HN 0.659 nan 8.150 nan 0.000 0.443 293 R N -0.221 120.135 120.500 -0.241 0.000 2.091 293 R HA -0.208 4.134 4.340 0.002 0.000 0.238 293 R C 2.190 178.588 176.300 0.163 0.000 1.136 293 R CA 1.968 58.155 56.100 0.145 0.000 0.959 293 R CB -0.320 30.054 30.300 0.123 0.000 0.856 293 R HN 0.726 nan 8.270 nan 0.000 0.437 294 E N -0.435 119.762 120.200 -0.004 0.000 2.106 294 E HA -0.160 4.191 4.350 0.002 0.000 0.192 294 E C 1.740 178.333 176.600 -0.012 0.000 0.984 294 E CA 1.003 57.406 56.400 0.004 0.000 0.806 294 E CB -0.045 29.635 29.700 -0.034 0.000 0.750 294 E HN 0.490 nan 8.360 nan 0.000 0.458 295 A N 0.291 123.067 122.820 -0.074 0.000 1.898 295 A HA -0.167 4.154 4.320 0.002 0.000 0.216 295 A C 1.846 179.476 177.584 0.077 0.000 1.181 295 A CA 1.219 53.247 52.037 -0.015 0.000 0.620 295 A CB -0.771 18.253 19.000 0.040 0.000 0.819 295 A HN 0.341 nan 8.150 nan 0.000 0.442 296 Y N -0.225 120.179 120.300 0.172 0.000 2.181 296 Y HA -0.142 4.409 4.550 0.002 0.000 0.288 296 Y C 2.497 178.341 175.900 -0.093 0.000 1.146 296 Y CA 1.124 59.346 58.100 0.203 0.000 1.164 296 Y CB -0.791 37.917 38.460 0.413 0.000 0.982 296 Y HN 0.336 nan 8.280 nan 0.000 0.515 297 R N 0.668 121.118 120.500 -0.082 0.000 2.083 297 R HA -0.192 4.149 4.340 0.002 0.000 0.237 297 R C 2.307 178.473 176.300 -0.223 0.000 1.137 297 R CA 1.702 57.584 56.100 -0.363 0.000 0.951 297 R CB -0.135 30.084 30.300 -0.136 0.000 0.851 297 R HN 0.289 nan 8.270 nan 0.000 0.434 298 R N -0.094 120.347 120.500 -0.099 0.000 2.083 298 R HA -0.133 4.208 4.340 0.002 0.000 0.237 298 R C 2.498 178.728 176.300 -0.118 0.000 1.137 298 R CA 1.952 58.002 56.100 -0.084 0.000 0.951 298 R CB -0.289 29.989 30.300 -0.036 0.000 0.851 298 R HN 0.286 nan 8.270 nan 0.000 0.434 299 R N 0.076 120.519 120.500 -0.095 0.000 2.081 299 R HA -0.108 4.233 4.340 0.002 0.000 0.235 299 R C 2.435 178.501 176.300 -0.390 0.000 1.131 299 R CA 1.249 57.275 56.100 -0.124 0.000 0.960 299 R CB -0.316 30.029 30.300 0.074 0.000 0.856 299 R HN 0.194 nan 8.270 nan 0.000 0.436 300 R N 1.041 121.134 120.500 -0.679 0.000 2.070 300 R HA -0.161 4.180 4.340 0.002 0.000 0.233 300 R C 1.247 177.285 176.300 -0.438 0.000 1.137 300 R CA 2.087 57.623 56.100 -0.941 0.000 0.945 300 R CB -0.183 29.593 30.300 -0.873 0.000 0.845 300 R HN 0.151 nan 8.270 nan 0.000 0.430 301 D N 1.010 121.233 120.400 -0.294 0.000 2.104 301 D HA -0.214 4.427 4.640 0.002 0.000 0.194 301 D C 1.946 178.168 176.300 -0.130 0.000 0.994 301 D CA 1.085 54.984 54.000 -0.168 0.000 0.830 301 D CB -0.370 40.356 40.800 -0.122 0.000 0.959 301 D HN 0.272 nan 8.370 nan 0.000 0.452 302 L N 0.369 121.512 121.223 -0.134 0.000 1.989 302 L HA -0.159 4.182 4.340 0.002 0.000 0.211 302 L C 2.402 179.220 176.870 -0.086 0.000 1.071 302 L CA 1.109 55.894 54.840 -0.093 0.000 0.749 302 L CB -0.211 41.797 42.059 -0.084 0.000 0.890 302 L HN 0.060 nan 8.230 nan 0.000 0.431 303 L N -0.475 120.675 121.223 -0.123 0.000 1.989 303 L HA -0.280 4.062 4.340 0.002 0.000 0.211 303 L C 2.603 179.452 176.870 -0.035 0.000 1.071 303 L CA 1.730 56.524 54.840 -0.078 0.000 0.749 303 L CB -0.327 41.668 42.059 -0.107 0.000 0.890 303 L HN 0.377 nan 8.230 nan 0.000 0.431 304 L N -0.475 120.707 121.223 -0.068 0.000 2.042 304 L HA -0.275 4.067 4.340 0.002 0.000 0.210 304 L C 2.487 179.355 176.870 -0.004 0.000 1.076 304 L CA 1.520 56.346 54.840 -0.024 0.000 0.749 304 L CB -0.562 41.472 42.059 -0.042 0.000 0.893 304 L HN 0.348 nan 8.230 nan 0.000 0.432 305 E N -0.045 120.143 120.200 -0.020 0.000 2.051 305 E HA -0.188 4.164 4.350 0.002 0.000 0.192 305 E C 2.219 178.824 176.600 0.009 0.000 0.991 305 E CA 1.128 57.524 56.400 -0.008 0.000 0.799 305 E CB -0.362 29.327 29.700 -0.019 0.000 0.748 305 E HN 0.568 nan 8.360 nan 0.000 0.449 306 G N 1.280 110.086 108.800 0.010 0.000 2.418 306 G HA2 -0.241 3.720 3.960 0.002 0.000 0.217 306 G HA3 -0.241 3.720 3.960 0.002 0.000 0.217 306 G C 1.584 176.526 174.900 0.070 0.000 1.158 306 G CA 0.566 45.685 45.100 0.032 0.000 0.771 306 G HN 0.072 nan 8.290 nan 0.000 0.545 307 L N 0.300 121.575 121.223 0.086 0.000 2.017 307 L HA -0.091 4.250 4.340 0.002 0.000 0.208 307 L C 3.197 180.106 176.870 0.065 0.000 1.073 307 L CA 1.621 56.526 54.840 0.107 0.000 0.745 307 L CB -1.001 41.124 42.059 0.110 0.000 0.894 307 L HN 0.169 nan 8.230 nan 0.000 0.432 308 T N 0.128 114.709 114.554 0.045 0.000 2.684 308 T HA -0.200 4.152 4.350 0.002 0.000 0.267 308 T C 2.012 176.729 174.700 0.029 0.000 1.036 308 T CA 1.424 63.543 62.100 0.032 0.000 1.148 308 T CB -0.277 68.604 68.868 0.022 0.000 0.863 308 T HN 0.455 nan 8.240 nan 0.000 0.436 309 A N 1.026 123.864 122.820 0.030 0.000 1.978 309 A HA 0.019 4.341 4.320 0.002 0.000 0.220 309 A C 2.137 179.740 177.584 0.032 0.000 1.170 309 A CA 1.192 53.245 52.037 0.027 0.000 0.636 309 A CB -0.708 18.307 19.000 0.025 0.000 0.810 309 A HN 0.522 nan 8.150 nan 0.000 0.448 310 L N -1.489 119.762 121.223 0.045 0.000 2.558 310 L HA 0.195 4.537 4.340 0.002 0.000 0.225 310 L C 1.609 178.495 176.870 0.028 0.000 1.128 310 L CA 0.481 55.349 54.840 0.047 0.000 0.868 310 L CB -0.204 41.903 42.059 0.080 0.000 1.006 310 L HN 0.580 nan 8.230 nan 0.000 0.454 311 G N 0.888 109.703 108.800 0.024 0.000 2.147 311 G HA2 -0.273 3.688 3.960 0.002 0.000 0.244 311 G HA3 -0.273 3.688 3.960 0.002 0.000 0.244 311 G C 0.041 174.944 174.900 0.006 0.000 1.005 311 G CA -0.233 44.875 45.100 0.013 0.000 0.713 311 G HN 0.227 nan 8.290 nan 0.000 0.515 312 L N 0.440 121.670 121.223 0.012 0.000 2.265 312 L HA 0.419 4.761 4.340 0.002 0.000 0.288 312 L C 0.802 177.685 176.870 0.021 0.000 1.058 312 L CA -0.713 54.126 54.840 -0.001 0.000 0.809 312 L CB 1.074 43.124 42.059 -0.016 0.000 1.179 312 L HN 0.053 nan 8.230 nan 0.000 0.429 313 K N 2.996 123.407 120.400 0.018 0.000 2.326 313 K HA 0.668 4.990 4.320 0.002 0.000 0.275 313 K C -0.339 176.312 176.600 0.085 0.000 1.018 313 K CA -0.141 56.173 56.287 0.045 0.000 0.962 313 K CB 1.114 33.637 32.500 0.039 0.000 0.953 313 K HN 0.686 nan 8.250 nan 0.000 0.475 314 A N 1.760 124.643 122.820 0.104 0.000 2.547 314 A HA 0.285 4.606 4.320 0.002 0.000 0.298 314 A C -1.129 176.538 177.584 0.138 0.000 1.062 314 A CA -0.853 51.272 52.037 0.147 0.000 0.748 314 A CB 0.854 19.931 19.000 0.129 0.000 1.288 314 A HN 0.364 nan 8.150 nan 0.000 0.396 315 V N 2.834 122.862 119.914 0.189 0.000 2.572 315 V HA 0.223 4.345 4.120 0.002 0.000 0.291 315 V C 1.173 177.361 176.094 0.157 0.000 1.039 315 V CA -0.049 62.352 62.300 0.168 0.000 1.055 315 V CB 0.958 32.927 31.823 0.244 0.000 0.969 315 V HN 0.885 nan 8.190 nan 0.000 0.482 316 R N 7.531 128.100 120.500 0.115 0.000 2.404 316 R HA 0.168 4.509 4.340 0.002 0.000 0.315 316 R C -2.165 174.214 176.300 0.131 0.000 1.032 316 R CA -0.970 55.192 56.100 0.102 0.000 0.992 316 R CB 0.477 30.821 30.300 0.073 0.000 0.959 316 R HN 0.559 nan 8.270 nan 0.000 0.428 317 P HA 0.129 nan 4.420 nan 0.000 0.282 317 P C -0.758 176.671 177.300 0.215 0.000 1.249 317 P CA -0.399 62.804 63.100 0.173 0.000 0.806 317 P CB 1.876 33.697 31.700 0.201 0.000 0.984 318 S N 0.097 115.914 115.700 0.194 0.000 2.540 318 S HA 0.380 4.852 4.470 0.002 0.000 0.222 318 S C 0.743 175.419 174.600 0.126 0.000 1.008 318 S CA 0.042 58.371 58.200 0.214 0.000 0.939 318 S CB 0.426 63.704 63.200 0.130 0.000 0.865 318 S HN 0.817 nan 8.310 nan 0.000 0.499 319 G N -0.048 108.784 108.800 0.053 0.000 2.682 319 G HA2 0.708 4.670 3.960 0.002 0.000 0.290 319 G HA3 0.708 4.670 3.960 0.002 0.000 0.290 319 G C -0.424 174.350 174.900 -0.211 0.000 1.425 319 G CA 0.020 45.001 45.100 -0.200 0.000 0.807 319 G HN 0.699 nan 8.290 nan 0.000 0.482 320 A N -1.173 121.382 122.820 -0.442 0.000 6.226 320 A HA 0.204 4.525 4.320 0.002 0.000 0.254 320 A C 0.167 177.302 177.584 -0.749 0.000 2.160 320 A CA 1.604 53.086 52.037 -0.926 0.000 0.705 320 A CB -1.473 16.751 19.000 -1.294 0.000 1.036 320 A HN 2.348 nan 8.150 nan 0.000 0.366 321 F N -3.259 116.028 119.950 -1.104 0.000 2.677 321 F HA 0.725 5.254 4.527 0.002 0.000 0.388 321 F C -0.535 174.304 175.800 -1.601 0.000 1.400 321 F CA -0.970 56.107 58.000 -1.539 0.000 1.162 321 F CB -0.525 37.578 39.000 -1.495 0.000 1.135 321 F HN 0.501 nan 8.300 nan 0.000 0.516 322 Y N -0.461 119.571 120.300 -0.447 0.000 2.570 322 Y HA 0.811 5.362 4.550 0.002 0.000 0.345 322 Y C -0.480 175.427 175.900 0.012 0.000 1.014 322 Y CA -2.274 55.702 58.100 -0.207 0.000 1.063 322 Y CB 2.336 40.621 38.460 -0.291 0.000 1.272 322 Y HN -0.094 nan 8.280 nan 0.000 0.477 323 V N 3.166 123.215 119.914 0.225 0.000 2.655 323 V HA 0.294 4.415 4.120 0.002 0.000 0.301 323 V C -0.859 175.292 176.094 0.094 0.000 1.082 323 V CA -0.919 61.491 62.300 0.183 0.000 0.899 323 V CB 2.103 34.072 31.823 0.243 0.000 1.014 323 V HN 0.599 nan 8.190 nan 0.000 0.429 324 L N 5.194 126.441 121.223 0.039 0.000 2.261 324 L HA 0.536 4.878 4.340 0.002 0.000 0.289 324 L C -0.041 176.936 176.870 0.178 0.000 1.059 324 L CA 0.040 54.894 54.840 0.023 0.000 0.816 324 L CB 1.170 43.136 42.059 -0.154 0.000 1.191 324 L HN 0.667 nan 8.230 nan 0.000 0.431 325 M N 3.873 123.575 119.600 0.170 0.000 2.238 325 M HA 0.223 4.704 4.480 0.002 0.000 0.350 325 M C -0.450 175.917 176.300 0.112 0.000 1.138 325 M CA -0.594 54.793 55.300 0.145 0.000 1.040 325 M CB 1.355 33.995 32.600 0.067 0.000 1.639 325 M HN 0.372 nan 8.290 nan 0.000 0.451 326 D N 3.075 123.503 120.400 0.047 0.000 2.358 326 D HA 0.051 4.692 4.640 0.002 0.000 0.258 326 D C 0.600 176.800 176.300 -0.167 0.000 1.223 326 D CA 0.202 54.074 54.000 -0.213 0.000 0.886 326 D CB 1.117 41.840 40.800 -0.128 0.000 1.120 326 D HN 0.738 nan 8.370 nan 0.000 0.482 327 T N -0.025 114.412 114.554 -0.196 0.000 3.188 327 T HA 0.049 4.400 4.350 0.002 0.000 0.250 327 T C 1.706 176.340 174.700 -0.109 0.000 1.077 327 T CA -0.248 61.772 62.100 -0.134 0.000 0.967 327 T CB 0.048 68.858 68.868 -0.098 0.000 1.006 327 T HN 0.151 nan 8.240 nan 0.000 0.552 328 S N 3.301 118.933 115.700 -0.113 0.000 2.368 328 S HA -0.074 4.397 4.470 0.002 0.000 0.226 328 S C -0.053 174.512 174.600 -0.059 0.000 1.044 328 S CA 1.675 59.829 58.200 -0.076 0.000 1.062 328 S CB -1.156 62.003 63.200 -0.068 0.000 0.931 328 S HN 0.618 nan 8.310 nan 0.000 0.440 329 P HA 0.056 nan 4.420 nan 0.000 0.230 329 P C 0.999 178.267 177.300 -0.054 0.000 1.158 329 P CA 0.762 63.831 63.100 -0.051 0.000 0.769 329 P CB -0.093 31.577 31.700 -0.050 0.000 0.807 330 I N -0.712 119.816 120.570 -0.071 0.000 2.429 330 I HA 0.196 4.368 4.170 0.002 0.000 0.247 330 I C 1.372 177.463 176.117 -0.043 0.000 1.099 330 I CA 0.453 61.712 61.300 -0.068 0.000 1.422 330 I CB -1.172 36.768 38.000 -0.101 0.000 1.112 330 I HN -0.095 nan 8.210 nan 0.000 0.430 331 A N 0.787 123.583 122.820 -0.040 0.000 2.601 331 A HA 0.553 4.874 4.320 0.002 0.000 0.291 331 A C -2.146 175.425 177.584 -0.022 0.000 1.075 331 A CA -0.550 51.472 52.037 -0.024 0.000 0.671 331 A CB 0.408 19.399 19.000 -0.015 0.000 1.277 331 A HN -0.060 nan 8.150 nan 0.000 0.417 332 P HA -0.013 nan 4.420 nan 0.000 0.225 332 P C -0.175 177.124 177.300 -0.002 0.000 1.148 332 P CA 1.879 64.973 63.100 -0.010 0.000 0.779 332 P CB -0.228 31.467 31.700 -0.008 0.000 0.780 333 D N -3.095 117.308 120.400 0.006 0.000 2.609 333 D HA 0.138 4.779 4.640 0.002 0.000 0.239 333 D C 0.475 176.797 176.300 0.037 0.000 1.229 333 D CA -0.799 53.220 54.000 0.031 0.000 0.808 333 D CB 0.693 41.518 40.800 0.041 0.000 1.448 333 D HN -0.376 nan 8.370 nan 0.000 0.433 334 E N 0.279 120.521 120.200 0.069 0.000 2.097 334 E HA -0.190 4.161 4.350 0.002 0.000 0.196 334 E C 1.905 178.540 176.600 0.058 0.000 1.000 334 E CA 1.546 57.986 56.400 0.066 0.000 0.804 334 E CB -0.602 29.161 29.700 0.104 0.000 0.740 334 E HN 0.366 nan 8.360 nan 0.000 0.454 335 V N 1.262 121.216 119.914 0.067 0.000 2.261 335 V HA -0.258 3.863 4.120 0.002 0.000 0.246 335 V C 2.275 178.391 176.094 0.037 0.000 1.047 335 V CA 1.987 64.319 62.300 0.054 0.000 1.015 335 V CB -0.489 31.367 31.823 0.054 0.000 0.642 335 V HN 0.203 nan 8.190 nan 0.000 0.446 336 R N 0.516 121.033 120.500 0.029 0.000 2.081 336 R HA -0.059 4.282 4.340 0.002 0.000 0.235 336 R C 2.406 178.714 176.300 0.012 0.000 1.131 336 R CA 1.605 57.716 56.100 0.018 0.000 0.960 336 R CB -1.305 29.002 30.300 0.011 0.000 0.856 336 R HN 0.543 nan 8.270 nan 0.000 0.436 337 A N 1.414 124.238 122.820 0.006 0.000 1.902 337 A HA -0.063 4.259 4.320 0.002 0.000 0.217 337 A C 2.428 180.014 177.584 0.002 0.000 1.181 337 A CA 1.861 53.892 52.037 -0.010 0.000 0.623 337 A CB -0.587 18.397 19.000 -0.027 0.000 0.818 337 A HN 0.349 nan 8.150 nan 0.000 0.443 338 A N -0.237 122.597 122.820 0.023 0.000 1.933 338 A HA -0.168 4.153 4.320 0.002 0.000 0.218 338 A C 1.921 179.530 177.584 0.042 0.000 1.175 338 A CA 1.657 53.719 52.037 0.041 0.000 0.628 338 A CB -0.498 18.533 19.000 0.052 0.000 0.814 338 A HN 0.648 nan 8.150 nan 0.000 0.444 339 E N -0.566 119.654 120.200 0.034 0.000 2.072 339 E HA -0.160 4.191 4.350 0.002 0.000 0.191 339 E C 2.363 178.982 176.600 0.031 0.000 0.985 339 E CA 0.910 57.330 56.400 0.032 0.000 0.801 339 E CB -0.173 29.542 29.700 0.026 0.000 0.750 339 E HN 0.499 nan 8.360 nan 0.000 0.452 340 R N 0.516 121.030 120.500 0.024 0.000 2.083 340 R HA -0.118 4.223 4.340 0.002 0.000 0.237 340 R C 2.491 178.815 176.300 0.040 0.000 1.137 340 R CA 1.071 57.185 56.100 0.023 0.000 0.951 340 R CB -0.384 29.921 30.300 0.008 0.000 0.851 340 R HN 0.198 nan 8.270 nan 0.000 0.434 341 L N 0.633 121.885 121.223 0.048 0.000 2.131 341 L HA -0.165 4.177 4.340 0.002 0.000 0.210 341 L C 2.509 179.439 176.870 0.101 0.000 1.092 341 L CA 0.828 55.725 54.840 0.097 0.000 0.759 341 L CB -0.352 41.776 42.059 0.116 0.000 0.903 341 L HN 0.258 nan 8.230 nan 0.000 0.435 342 L N -0.308 120.959 121.223 0.073 0.000 2.056 342 L HA -0.179 4.163 4.340 0.002 0.000 0.207 342 L C 2.755 179.656 176.870 0.052 0.000 1.078 342 L CA 1.211 56.089 54.840 0.063 0.000 0.749 342 L CB -0.233 41.856 42.059 0.050 0.000 0.901 342 L HN 0.320 nan 8.230 nan 0.000 0.433 343 E N 0.125 120.353 120.200 0.046 0.000 2.118 343 E HA -0.215 4.136 4.350 0.002 0.000 0.195 343 E C 1.953 178.578 176.600 0.043 0.000 0.992 343 E CA 1.316 57.739 56.400 0.038 0.000 0.804 343 E CB -0.218 29.501 29.700 0.032 0.000 0.741 343 E HN 0.522 nan 8.360 nan 0.000 0.458 344 A N 0.125 122.980 122.820 0.058 0.000 2.235 344 A HA 0.267 4.589 4.320 0.002 0.000 0.208 344 A C 1.570 179.191 177.584 0.062 0.000 1.172 344 A CA 1.009 53.086 52.037 0.066 0.000 0.786 344 A CB -0.205 18.854 19.000 0.097 0.000 0.804 344 A HN 0.284 nan 8.150 nan 0.000 0.479 345 G N -1.743 107.090 108.800 0.056 0.000 2.142 345 G HA2 -0.098 3.863 3.960 0.002 0.000 0.225 345 G HA3 -0.098 3.863 3.960 0.002 0.000 0.225 345 G C -0.180 174.748 174.900 0.047 0.000 1.015 345 G CA 0.026 45.152 45.100 0.042 0.000 0.716 345 G HN 0.975 nan 8.290 nan 0.000 0.508 346 V N 0.085 120.047 119.914 0.080 0.000 2.525 346 V HA 0.801 4.922 4.120 0.002 0.000 0.299 346 V C 0.432 176.594 176.094 0.113 0.000 1.034 346 V CA -0.481 61.877 62.300 0.098 0.000 0.863 346 V CB 1.679 33.610 31.823 0.180 0.000 0.999 346 V HN 1.265 nan 8.190 nan 0.000 0.423 347 A N 5.150 128.023 122.820 0.088 0.000 2.276 347 A HA 0.845 5.167 4.320 0.002 0.000 0.300 347 A C -0.471 177.180 177.584 0.112 0.000 1.235 347 A CA -0.289 51.800 52.037 0.088 0.000 0.867 347 A CB 0.757 19.796 19.000 0.065 0.000 1.137 347 A HN 0.731 nan 8.150 nan 0.000 0.527 348 V N 2.348 122.334 119.914 0.120 0.000 3.102 348 V HA 0.438 4.560 4.120 0.002 0.000 0.312 348 V C -0.339 175.825 176.094 0.117 0.000 1.135 348 V CA -0.700 61.680 62.300 0.133 0.000 1.022 348 V CB 2.181 34.095 31.823 0.152 0.000 1.056 348 V HN 0.584 nan 8.190 nan 0.000 0.436 349 V N 4.310 124.301 119.914 0.127 0.000 2.350 349 V HA 0.334 4.455 4.120 0.002 0.000 0.276 349 V C -2.168 174.015 176.094 0.149 0.000 1.028 349 V CA -1.667 60.722 62.300 0.148 0.000 0.860 349 V CB 1.446 33.395 31.823 0.210 0.000 0.990 349 V HN 0.751 nan 8.190 nan 0.000 0.453 350 P HA 0.082 nan 4.420 nan 0.000 0.268 350 P C 0.913 178.314 177.300 0.168 0.000 1.204 350 P CA 0.125 63.294 63.100 0.116 0.000 0.768 350 P CB 1.136 32.888 31.700 0.087 0.000 0.842 351 G N 2.536 111.420 108.800 0.140 0.000 2.882 351 G HA2 -0.110 3.851 3.960 0.002 0.000 0.206 351 G HA3 -0.110 3.851 3.960 0.002 0.000 0.206 351 G C 1.149 176.045 174.900 -0.006 0.000 1.155 351 G CA 0.269 45.462 45.100 0.155 0.000 0.800 351 G HN 0.427 nan 8.290 nan 0.000 0.524 352 T N 1.205 115.749 114.554 -0.018 0.000 2.607 352 T HA -0.161 4.190 4.350 0.002 0.000 0.267 352 T C 1.780 176.355 174.700 -0.209 0.000 1.049 352 T CA 1.520 63.562 62.100 -0.097 0.000 1.162 352 T CB -0.217 68.707 68.868 0.095 0.000 0.863 352 T HN 0.203 nan 8.240 nan 0.000 0.424 353 D N 0.384 120.674 120.400 -0.182 0.000 2.350 353 D HA 0.021 4.662 4.640 0.002 0.000 0.216 353 D C 1.216 177.293 176.300 -0.372 0.000 0.968 353 D CA 0.561 54.394 54.000 -0.277 0.000 0.894 353 D CB -0.281 40.295 40.800 -0.372 0.000 0.909 353 D HN 0.419 nan 8.370 nan 0.000 0.520 354 F N -0.027 119.758 119.950 -0.275 0.000 2.776 354 F HA 0.335 4.863 4.527 0.002 0.000 0.300 354 F C 1.549 176.866 175.800 -0.806 0.000 1.116 354 F CA 0.220 57.980 58.000 -0.400 0.000 1.375 354 F CB 0.080 38.885 39.000 -0.325 0.000 1.109 354 F HN -0.120 nan 8.300 nan 0.000 0.585 355 A N 0.382 122.820 122.820 -0.637 0.000 2.969 355 A HA -0.083 4.238 4.320 0.002 0.000 0.252 355 A C 0.835 177.950 177.584 -0.782 0.000 1.377 355 A CA 0.597 52.111 52.037 -0.871 0.000 0.859 355 A CB -2.086 16.492 19.000 -0.704 0.000 1.077 355 A HN 0.631 nan 8.150 nan 0.000 0.671 356 A N -0.021 122.425 122.820 -0.623 0.000 3.173 356 A HA 0.643 4.964 4.320 0.002 0.000 0.304 356 A C -0.026 177.462 177.584 -0.160 0.000 1.318 356 A CA -0.455 51.393 52.037 -0.316 0.000 1.069 356 A CB -0.568 18.273 19.000 -0.265 0.000 1.147 356 A HN 0.824 nan 8.150 nan 0.000 0.547 357 F N 0.331 120.364 119.950 0.138 0.000 2.518 357 F HA 0.416 4.944 4.527 0.002 0.000 0.359 357 F C 1.652 177.578 175.800 0.209 0.000 1.118 357 F CA 1.193 59.276 58.000 0.139 0.000 1.287 357 F CB 0.532 39.584 39.000 0.087 0.000 1.132 357 F HN 0.648 nan 8.300 nan 0.000 0.587 358 G N 0.947 109.906 108.800 0.266 0.000 2.162 358 G HA2 -0.281 3.681 3.960 0.002 0.000 0.260 358 G HA3 -0.281 3.681 3.960 0.002 0.000 0.260 358 G C -0.321 174.446 174.900 -0.223 0.000 0.976 358 G CA 0.113 45.230 45.100 0.029 0.000 0.655 358 G HN 0.858 nan 8.290 nan 0.000 0.533 359 H N -2.019 117.089 119.070 0.062 0.000 2.865 359 H HA 0.757 5.314 4.556 0.002 0.000 0.372 359 H C -0.684 174.648 175.328 0.006 0.000 1.173 359 H CA -0.511 55.553 56.048 0.027 0.000 1.147 359 H CB 2.481 32.254 29.762 0.019 0.000 1.805 359 H HN 0.302 nan 8.280 nan 0.000 0.553 360 V N 1.865 121.850 119.914 0.117 0.000 2.656 360 V HA 0.400 4.522 4.120 0.002 0.000 0.307 360 V C -0.709 175.414 176.094 0.048 0.000 1.051 360 V CA -0.795 61.547 62.300 0.071 0.000 0.893 360 V CB 1.841 33.690 31.823 0.045 0.000 0.999 360 V HN 0.653 nan 8.190 nan 0.000 0.426 361 R N 5.856 126.361 120.500 0.008 0.000 2.221 361 R HA 0.515 4.857 4.340 0.002 0.000 0.327 361 R C -1.471 174.870 176.300 0.068 0.000 1.033 361 R CA -0.375 55.694 56.100 -0.052 0.000 0.887 361 R CB 0.739 30.866 30.300 -0.288 0.000 1.057 361 R HN 0.680 nan 8.270 nan 0.000 0.455 362 L N 2.334 123.631 121.223 0.124 0.000 2.317 362 L HA 0.348 4.690 4.340 0.002 0.000 0.281 362 L C 0.310 177.319 176.870 0.231 0.000 1.024 362 L CA -0.613 54.344 54.840 0.194 0.000 0.810 362 L CB 1.878 44.079 42.059 0.235 0.000 1.240 362 L HN 0.530 nan 8.230 nan 0.000 0.427 363 S N 1.586 117.408 115.700 0.203 0.000 2.478 363 S HA 0.410 4.882 4.470 0.002 0.000 0.312 363 S C -0.309 174.319 174.600 0.047 0.000 1.094 363 S CA -0.621 57.653 58.200 0.124 0.000 1.081 363 S CB 0.598 63.903 63.200 0.174 0.000 1.007 363 S HN 0.484 nan 8.310 nan 0.000 0.475 364 Y N 2.755 123.047 120.300 -0.014 0.000 2.811 364 Y HA 0.676 5.228 4.550 0.002 0.000 0.330 364 Y C 0.617 176.450 175.900 -0.112 0.000 1.081 364 Y CA -0.804 57.268 58.100 -0.046 0.000 1.408 364 Y CB -0.476 37.976 38.460 -0.014 0.000 1.235 364 Y HN 0.641 nan 8.280 nan 0.000 0.529 365 A N 1.088 123.735 122.820 -0.289 0.000 3.163 365 A HA 0.517 4.838 4.320 0.002 0.000 0.283 365 A C 0.386 177.857 177.584 -0.188 0.000 1.412 365 A CA 0.255 52.061 52.037 -0.384 0.000 1.053 365 A CB -1.087 17.340 19.000 -0.955 0.000 1.082 365 A HN 0.507 nan 8.150 nan 0.000 0.639 366 T N -2.806 111.703 114.554 -0.076 0.000 2.778 366 T HA 0.617 4.969 4.350 0.002 0.000 0.293 366 T C 0.158 174.823 174.700 -0.057 0.000 1.144 366 T CA -0.084 61.969 62.100 -0.079 0.000 1.010 366 T CB 0.789 69.626 68.868 -0.052 0.000 1.325 366 T HN 0.613 nan 8.240 nan 0.000 0.515 367 S N -0.184 115.474 115.700 -0.070 0.000 2.579 367 S HA 0.186 4.657 4.470 0.002 0.000 0.275 367 S C 0.925 175.504 174.600 -0.035 0.000 1.345 367 S CA -0.560 57.605 58.200 -0.059 0.000 1.031 367 S CB 0.325 63.489 63.200 -0.061 0.000 0.892 367 S HN 0.772 nan 8.310 nan 0.000 0.529 368 E N 0.733 120.915 120.200 -0.030 0.000 2.153 368 E HA -0.209 4.142 4.350 0.002 0.000 0.194 368 E C 1.890 178.468 176.600 -0.038 0.000 0.988 368 E CA 1.211 57.594 56.400 -0.029 0.000 0.811 368 E CB -0.100 29.584 29.700 -0.026 0.000 0.746 368 E HN 0.910 nan 8.360 nan 0.000 0.466 369 E N 1.100 121.278 120.200 -0.037 0.000 2.051 369 E HA -0.218 4.133 4.350 0.002 0.000 0.192 369 E C 1.787 178.359 176.600 -0.047 0.000 0.991 369 E CA 1.086 57.463 56.400 -0.039 0.000 0.799 369 E CB 0.094 29.773 29.700 -0.034 0.000 0.748 369 E HN 0.136 nan 8.360 nan 0.000 0.449 370 N N 0.554 119.226 118.700 -0.048 0.000 2.223 370 N HA -0.135 4.607 4.740 0.002 0.000 0.185 370 N C 1.989 177.453 175.510 -0.076 0.000 1.016 370 N CA 0.799 53.816 53.050 -0.056 0.000 0.863 370 N CB -0.203 38.256 38.487 -0.047 0.000 0.983 370 N HN 0.269 nan 8.380 nan 0.000 0.429 371 L N 0.616 121.799 121.223 -0.067 0.000 2.093 371 L HA -0.054 4.287 4.340 0.002 0.000 0.208 371 L C 2.391 179.191 176.870 -0.116 0.000 1.085 371 L CA 0.886 55.675 54.840 -0.085 0.000 0.755 371 L CB -0.190 41.839 42.059 -0.050 0.000 0.904 371 L HN 0.106 nan 8.230 nan 0.000 0.435 372 R N 0.162 120.610 120.500 -0.086 0.000 2.066 372 R HA -0.124 4.217 4.340 0.002 0.000 0.232 372 R C 2.307 178.548 176.300 -0.099 0.000 1.131 372 R CA 1.089 57.140 56.100 -0.081 0.000 0.955 372 R CB -0.204 30.063 30.300 -0.054 0.000 0.851 372 R HN 0.297 nan 8.270 nan 0.000 0.432 373 K N 0.468 120.811 120.400 -0.095 0.000 2.097 373 K HA -0.093 4.229 4.320 0.002 0.000 0.206 373 K C 2.169 178.678 176.600 -0.152 0.000 1.049 373 K CA 1.351 57.581 56.287 -0.094 0.000 0.933 373 K CB -0.127 32.331 32.500 -0.070 0.000 0.717 373 K HN 0.152 nan 8.250 nan 0.000 0.442 374 A N 1.470 124.150 122.820 -0.233 0.000 1.898 374 A HA -0.117 4.204 4.320 0.002 0.000 0.216 374 A C 2.128 179.299 177.584 -0.688 0.000 1.181 374 A CA 1.141 52.907 52.037 -0.450 0.000 0.620 374 A CB -0.580 18.122 19.000 -0.497 0.000 0.819 374 A HN 0.149 nan 8.150 nan 0.000 0.442 375 L N -0.649 120.296 121.223 -0.463 0.000 2.083 375 L HA -0.214 4.127 4.340 0.002 0.000 0.209 375 L C 2.669 179.482 176.870 -0.095 0.000 1.083 375 L CA 1.802 56.475 54.840 -0.278 0.000 0.752 375 L CB -0.472 41.516 42.059 -0.119 0.000 0.899 375 L HN 0.640 nan 8.230 nan 0.000 0.433 376 E N 0.210 120.355 120.200 -0.092 0.000 2.058 376 E HA -0.241 4.110 4.350 0.002 0.000 0.194 376 E C 2.365 178.970 176.600 0.009 0.000 0.997 376 E CA 1.060 57.443 56.400 -0.028 0.000 0.801 376 E CB 0.152 29.830 29.700 -0.037 0.000 0.746 376 E HN 0.319 nan 8.360 nan 0.000 0.450 377 R N -0.054 120.436 120.500 -0.016 0.000 2.073 377 R HA -0.123 4.219 4.340 0.002 0.000 0.234 377 R C 2.327 178.751 176.300 0.206 0.000 1.134 377 R CA 0.931 57.067 56.100 0.061 0.000 0.952 377 R CB -1.016 29.306 30.300 0.037 0.000 0.850 377 R HN 0.291 nan 8.270 nan 0.000 0.433 378 F N 1.338 121.296 119.950 0.013 0.000 2.120 378 F HA -0.157 4.372 4.527 0.002 0.000 0.300 378 F C 2.594 178.401 175.800 0.011 0.000 1.095 378 F CA 0.774 58.782 58.000 0.014 0.000 1.249 378 F CB -1.283 37.727 39.000 0.016 0.000 0.995 378 F HN 0.081 nan 8.300 nan 0.000 0.480 379 A N 0.175 123.122 122.820 0.211 0.000 1.902 379 A HA -0.200 4.121 4.320 0.002 0.000 0.217 379 A C 2.346 179.979 177.584 0.082 0.000 1.181 379 A CA 1.465 53.570 52.037 0.114 0.000 0.623 379 A CB -0.694 18.352 19.000 0.077 0.000 0.818 379 A HN 0.333 nan 8.150 nan 0.000 0.443 380 R N -0.590 119.959 120.500 0.081 0.000 2.193 380 R HA -0.058 4.284 4.340 0.002 0.000 0.229 380 R C 1.611 177.945 176.300 0.056 0.000 1.110 380 R CA 1.268 57.403 56.100 0.058 0.000 0.988 380 R CB -0.390 29.941 30.300 0.053 0.000 0.871 380 R HN 0.410 nan 8.270 nan 0.000 0.458 381 V N 0.988 120.946 119.914 0.073 0.000 3.129 381 V HA 0.012 4.134 4.120 0.002 0.000 0.259 381 V C 1.105 177.214 176.094 0.024 0.000 1.116 381 V CA 0.979 63.308 62.300 0.048 0.000 1.127 381 V CB -0.334 31.521 31.823 0.052 0.000 0.742 381 V HN 0.125 nan 8.190 nan 0.000 0.474 382 L N 0.000 121.241 121.223 0.030 0.000 2.949 382 L HA 0.000 4.341 4.340 0.002 0.000 0.249 382 L CA 0.000 54.850 54.840 0.016 0.000 0.813 382 L CB 0.000 42.067 42.059 0.014 0.000 0.961 382 L HN 0.000 nan 8.230 nan 0.000 0.502