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 2omu_1_A DATA FIRST_RESID 36 DATA SEQUENCE ATITQDTPIN QIFTDTALAE KMKTVLGKTN VTDTVSQTDL DQVTTLQADR DATA SEQUENCE LGIKSIDGVE YLNNLTQINF SNNQLTDITP LKNLTKLVDI LMNNNQIADI DATA SEQUENCE TPLANLTNLT GLTLFNNQIT DIDPLKNLTN LNRLELSSNT ISDISALSGL DATA SEQUENCE TSLQQLSFSS NQVTDLKPLA NLTTLERLDI SSNKVSDISV LAKLTNLESL DATA SEQUENCE IATNNQISDI TPLGILTNLD ELSLNGNQLK DIGTLASLTN LTDLDLANNQ DATA SEQUENCE ISNLAPLSGL TKLTELKLGA NQISNISPLA GLTALTNLEL NENQLEDISP DATA SEQUENCE ISNLKNLTYL TLYFNNISDI SPVSSLTKLQ RLFFSNNKVS DVSSLANLTN DATA SEQUENCE INWLSAGHNQ ISDLTPLANL TRITQLGLND QAWTNAPVNY KANVSIPNTV DATA SEQUENCE KNVTGALIAP ATISDGGSYT EPDITWNLPS YTNEVSYTFS QPVTIGKGTT DATA SEQUENCE TFSGTVTQPL KA 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 36 A HA 0.000 nan 4.320 nan 0.000 0.244 36 A C 0.000 177.678 177.584 0.157 0.000 1.274 36 A CA 0.000 52.039 52.037 0.004 0.000 0.836 36 A CB 0.000 18.875 19.000 -0.208 0.000 0.831 37 T N -0.043 114.659 114.554 0.247 0.000 2.952 37 T HA 0.685 5.062 4.350 0.045 0.000 0.305 37 T C -0.024 174.774 174.700 0.163 0.000 1.064 37 T CA -0.330 61.905 62.100 0.226 0.000 1.008 37 T CB 0.861 69.786 68.868 0.095 0.000 1.078 37 T HN 1.705 nan 8.240 nan 0.000 0.459 38 I N 1.049 121.574 120.570 -0.075 0.000 2.634 38 I HA 0.303 4.500 4.170 0.045 0.000 0.284 38 I C 1.603 177.658 176.117 -0.104 0.000 1.124 38 I CA -0.647 60.493 61.300 -0.266 0.000 1.417 38 I CB 0.542 38.279 38.000 -0.438 0.000 1.396 38 I HN 0.870 nan 8.210 nan 0.000 0.571 39 T N 1.509 116.011 114.554 -0.086 0.000 2.708 39 T HA -0.121 4.256 4.350 0.045 0.000 0.266 39 T C 0.799 175.472 174.700 -0.045 0.000 1.037 39 T CA 1.247 63.320 62.100 -0.044 0.000 1.146 39 T CB -0.243 68.606 68.868 -0.032 0.000 0.865 39 T HN 0.875 nan 8.240 nan 0.000 0.435 40 Q N 0.956 120.719 119.800 -0.062 0.000 2.857 40 Q HA 0.328 4.695 4.340 0.045 0.000 0.319 40 Q C -2.044 173.916 176.000 -0.066 0.000 0.963 40 Q CA -0.732 55.041 55.803 -0.051 0.000 0.770 40 Q CB 0.520 29.236 28.738 -0.036 0.000 1.492 40 Q HN 0.086 nan 8.270 nan 0.000 0.493 41 D N 1.737 122.108 120.400 -0.048 0.000 2.487 41 D HA 0.315 4.982 4.640 0.045 0.000 0.243 41 D C -0.770 175.496 176.300 -0.055 0.000 1.154 41 D CA 0.963 54.935 54.000 -0.046 0.000 0.876 41 D CB 0.552 41.336 40.800 -0.026 0.000 1.161 41 D HN 0.398 nan 8.370 nan 0.000 0.478 42 T N 2.826 117.337 114.554 -0.070 0.000 2.876 42 T HA 0.463 4.840 4.350 0.045 0.000 0.289 42 T C -2.603 172.068 174.700 -0.048 0.000 1.014 42 T CA -1.710 60.343 62.100 -0.078 0.000 0.986 42 T CB 1.959 70.742 68.868 -0.142 0.000 1.021 42 T HN 0.018 nan 8.240 nan 0.000 0.458 43 P HA 0.198 nan 4.420 nan 0.000 0.265 43 P C 0.937 178.247 177.300 0.016 0.000 1.193 43 P CA -0.080 63.020 63.100 -0.001 0.000 0.765 43 P CB 0.321 32.020 31.700 -0.000 0.000 0.823 44 I N 2.278 122.889 120.570 0.069 0.000 2.181 44 I HA -0.352 3.846 4.170 0.045 0.000 0.247 44 I C 1.941 178.172 176.117 0.190 0.000 1.081 44 I CA 1.923 63.328 61.300 0.175 0.000 1.340 44 I CB -0.592 37.519 38.000 0.184 0.000 1.036 44 I HN 0.498 nan 8.210 nan 0.000 0.417 45 N N 0.758 119.524 118.700 0.110 0.000 2.521 45 N HA -0.154 4.613 4.740 0.045 0.000 0.188 45 N C 1.383 176.921 175.510 0.046 0.000 1.146 45 N CA 0.892 53.998 53.050 0.094 0.000 0.893 45 N CB -0.194 38.333 38.487 0.067 0.000 0.975 45 N HN 0.547 nan 8.380 nan 0.000 0.451 46 Q N -0.346 119.457 119.800 0.005 0.000 2.373 46 Q HA 0.294 4.661 4.340 0.045 0.000 0.210 46 Q C 1.657 177.597 176.000 -0.099 0.000 0.913 46 Q CA 0.218 55.999 55.803 -0.038 0.000 0.911 46 Q CB 0.510 29.218 28.738 -0.049 0.000 1.040 46 Q HN 0.386 nan 8.270 nan 0.000 0.521 47 I N -0.321 120.145 120.570 -0.174 0.000 2.260 47 I HA -0.101 4.096 4.170 0.045 0.000 0.237 47 I C 0.165 176.024 176.117 -0.429 0.000 1.075 47 I CA 0.783 61.836 61.300 -0.410 0.000 1.376 47 I CB 0.153 37.747 38.000 -0.677 0.000 1.107 47 I HN -0.016 nan 8.210 nan 0.000 0.420 48 F N 1.879 121.856 119.950 0.044 0.000 2.351 48 F HA 0.145 4.699 4.527 0.045 0.000 0.362 48 F C 1.727 177.545 175.800 0.030 0.000 1.131 48 F CA -0.583 57.446 58.000 0.048 0.000 1.187 48 F CB 0.056 39.089 39.000 0.055 0.000 1.434 48 F HN 0.008 nan 8.300 nan 0.000 0.553 49 T N -2.523 112.104 114.554 0.122 0.000 2.962 49 T HA -0.174 4.203 4.350 0.045 0.000 0.270 49 T C 0.491 175.241 174.700 0.084 0.000 1.088 49 T CA 0.450 62.596 62.100 0.077 0.000 1.127 49 T CB -0.423 68.468 68.868 0.038 0.000 0.883 49 T HN 0.419 nan 8.240 nan 0.000 0.493 50 D N 1.055 121.520 120.400 0.108 0.000 2.371 50 D HA 0.200 4.867 4.640 0.045 0.000 0.256 50 D C 1.176 177.525 176.300 0.081 0.000 1.193 50 D CA 0.144 54.192 54.000 0.079 0.000 0.881 50 D CB 0.900 41.744 40.800 0.073 0.000 1.143 50 D HN -0.022 nan 8.370 nan 0.000 0.473 51 T N 2.999 117.587 114.554 0.056 0.000 2.620 51 T HA -0.287 4.090 4.350 0.045 0.000 0.267 51 T C 1.759 176.485 174.700 0.042 0.000 1.044 51 T CA 1.873 64.001 62.100 0.046 0.000 1.161 51 T CB -0.295 68.592 68.868 0.032 0.000 0.862 51 T HN 0.618 nan 8.240 nan 0.000 0.438 52 A N 0.597 123.441 122.820 0.039 0.000 1.897 52 A HA 0.060 4.407 4.320 0.045 0.000 0.215 52 A C 2.214 179.815 177.584 0.029 0.000 1.181 52 A CA 1.137 53.193 52.037 0.031 0.000 0.620 52 A CB -0.687 18.333 19.000 0.033 0.000 0.821 52 A HN 0.408 nan 8.150 nan 0.000 0.443 53 L N -0.100 121.150 121.223 0.046 0.000 2.093 53 L HA -0.011 4.356 4.340 0.045 0.000 0.208 53 L C 2.652 179.490 176.870 -0.052 0.000 1.085 53 L CA 1.949 56.801 54.840 0.020 0.000 0.755 53 L CB -0.970 41.135 42.059 0.076 0.000 0.904 53 L HN 0.357 nan 8.230 nan 0.000 0.435 54 A N -0.606 122.239 122.820 0.040 0.000 1.892 54 A HA -0.236 4.111 4.320 0.045 0.000 0.218 54 A C 2.137 179.718 177.584 -0.005 0.000 1.188 54 A CA 1.972 54.044 52.037 0.059 0.000 0.631 54 A CB -0.627 18.438 19.000 0.109 0.000 0.822 54 A HN 0.551 nan 8.150 nan 0.000 0.447 55 E N -0.446 119.752 120.200 -0.003 0.000 2.110 55 E HA -0.193 4.184 4.350 0.045 0.000 0.193 55 E C 1.994 178.572 176.600 -0.037 0.000 0.988 55 E CA 1.575 57.968 56.400 -0.011 0.000 0.804 55 E CB -0.244 29.455 29.700 -0.001 0.000 0.745 55 E HN 0.630 nan 8.360 nan 0.000 0.458 56 K N 0.764 121.129 120.400 -0.058 0.000 2.057 56 K HA -0.039 4.308 4.320 0.045 0.000 0.206 56 K C 1.993 178.516 176.600 -0.128 0.000 1.050 56 K CA 1.101 57.338 56.287 -0.082 0.000 0.935 56 K CB -0.130 32.323 32.500 -0.078 0.000 0.715 56 K HN -0.027 nan 8.250 nan 0.000 0.439 57 M N 0.697 120.171 119.600 -0.210 0.000 2.254 57 M HA -0.074 4.433 4.480 0.045 0.000 0.265 57 M C 2.083 178.313 176.300 -0.117 0.000 1.066 57 M CA 1.333 56.465 55.300 -0.280 0.000 1.123 57 M CB -0.608 31.586 32.600 -0.677 0.000 1.388 57 M HN 0.225 nan 8.290 nan 0.000 0.425 58 K N 0.203 120.565 120.400 -0.064 0.000 2.057 58 K HA -0.137 4.210 4.320 0.045 0.000 0.207 58 K C 1.713 178.299 176.600 -0.023 0.000 1.049 58 K CA 1.788 58.064 56.287 -0.018 0.000 0.931 58 K CB 0.102 32.600 32.500 -0.003 0.000 0.714 58 K HN 0.250 nan 8.250 nan 0.000 0.440 59 T N 0.610 115.143 114.554 -0.036 0.000 2.770 59 T HA -0.082 4.295 4.350 0.045 0.000 0.263 59 T C 1.927 176.606 174.700 -0.035 0.000 1.039 59 T CA 1.213 63.294 62.100 -0.032 0.000 1.142 59 T CB -0.155 68.692 68.868 -0.035 0.000 0.868 59 T HN -0.019 nan 8.240 nan 0.000 0.435 60 V N 1.726 121.608 119.914 -0.053 0.000 2.287 60 V HA -0.101 4.046 4.120 0.045 0.000 0.248 60 V C 2.268 178.346 176.094 -0.026 0.000 1.053 60 V CA 1.561 63.831 62.300 -0.050 0.000 1.027 60 V CB -0.625 31.151 31.823 -0.079 0.000 0.646 60 V HN 0.448 nan 8.190 nan 0.000 0.447 61 L N 0.227 121.438 121.223 -0.020 0.000 2.599 61 L HA 0.273 4.640 4.340 0.045 0.000 0.230 61 L C 1.767 178.641 176.870 0.007 0.000 1.141 61 L CA 0.771 55.615 54.840 0.006 0.000 0.877 61 L CB -0.646 41.431 42.059 0.030 0.000 1.009 61 L HN 0.555 nan 8.230 nan 0.000 0.447 62 G N -0.103 108.696 108.800 -0.002 0.000 2.166 62 G HA2 -0.258 3.729 3.960 0.045 0.000 0.260 62 G HA3 -0.258 3.729 3.960 0.045 0.000 0.260 62 G C 0.391 175.293 174.900 0.004 0.000 0.986 62 G CA 0.125 45.224 45.100 -0.000 0.000 0.683 62 G HN 0.216 nan 8.290 nan 0.000 0.527 63 K N 0.022 120.426 120.400 0.007 0.000 2.107 63 K HA 0.496 4.843 4.320 0.045 0.000 0.251 63 K C 1.853 178.457 176.600 0.006 0.000 1.012 63 K CA 0.366 56.659 56.287 0.010 0.000 0.920 63 K CB 0.660 33.171 32.500 0.018 0.000 1.033 63 K HN 0.333 nan 8.250 nan 0.000 0.478 64 T N -2.543 112.015 114.554 0.007 0.000 3.031 64 T HA -0.007 4.370 4.350 0.045 0.000 0.254 64 T C 0.587 175.291 174.700 0.007 0.000 1.060 64 T CA 0.143 62.246 62.100 0.005 0.000 1.135 64 T CB -0.083 68.788 68.868 0.005 0.000 0.896 64 T HN 0.610 nan 8.240 nan 0.000 0.472 65 N N 1.031 119.737 118.700 0.011 0.000 2.416 65 N HA 0.292 5.060 4.740 0.045 0.000 0.276 65 N C 0.991 176.513 175.510 0.020 0.000 1.261 65 N CA -0.279 52.779 53.050 0.013 0.000 0.790 65 N CB 2.214 40.708 38.487 0.011 0.000 1.554 65 N HN 0.047 nan 8.380 nan 0.000 0.481 66 V N -1.965 117.963 119.914 0.024 0.000 2.594 66 V HA -0.194 3.954 4.120 0.045 0.000 0.253 66 V C 1.903 178.022 176.094 0.041 0.000 1.069 66 V CA 2.224 64.547 62.300 0.038 0.000 1.082 66 V CB -1.718 30.129 31.823 0.040 0.000 0.680 66 V HN 0.876 nan 8.190 nan 0.000 0.469 67 T N -2.992 111.579 114.554 0.028 0.000 3.113 67 T HA 0.055 4.432 4.350 0.045 0.000 0.256 67 T C 0.415 175.126 174.700 0.019 0.000 1.131 67 T CA 0.101 62.214 62.100 0.022 0.000 1.074 67 T CB -0.655 68.222 68.868 0.015 0.000 0.944 67 T HN 0.522 nan 8.240 nan 0.000 0.516 68 D N 3.712 124.125 120.400 0.022 0.000 2.414 68 D HA 0.206 4.873 4.640 0.045 0.000 0.242 68 D C 0.703 177.016 176.300 0.021 0.000 1.129 68 D CA 0.274 54.285 54.000 0.018 0.000 0.885 68 D CB 1.185 41.996 40.800 0.018 0.000 1.198 68 D HN 0.460 nan 8.370 nan 0.000 0.437 69 T N -1.807 112.754 114.554 0.012 0.000 2.904 69 T HA 0.522 4.899 4.350 0.045 0.000 0.290 69 T C 0.305 175.012 174.700 0.012 0.000 1.018 69 T CA -0.818 61.285 62.100 0.005 0.000 1.075 69 T CB 0.999 69.864 68.868 -0.005 0.000 0.986 69 T HN 0.237 nan 8.240 nan 0.000 0.523 70 V N -0.753 119.165 119.914 0.008 0.000 3.007 70 V HA 0.869 5.016 4.120 0.045 0.000 0.311 70 V C -0.019 176.071 176.094 -0.006 0.000 1.120 70 V CA -0.975 61.335 62.300 0.017 0.000 0.980 70 V CB 1.474 33.331 31.823 0.055 0.000 1.033 70 V HN 1.270 nan 8.190 nan 0.000 0.429 71 S N 1.401 117.102 115.700 0.002 0.000 2.713 71 S HA 0.448 4.945 4.470 0.045 0.000 0.283 71 S C 0.740 175.338 174.600 -0.003 0.000 1.161 71 S CA 0.016 58.210 58.200 -0.009 0.000 0.999 71 S CB 1.758 64.958 63.200 -0.001 0.000 1.039 71 S HN 0.935 nan 8.310 nan 0.000 0.548 72 Q N 0.867 120.662 119.800 -0.009 0.000 2.170 72 Q HA -0.043 4.324 4.340 0.045 0.000 0.203 72 Q C 1.821 177.841 176.000 0.035 0.000 0.976 72 Q CA 2.422 58.232 55.803 0.012 0.000 0.858 72 Q CB -1.284 27.461 28.738 0.012 0.000 0.907 72 Q HN 0.907 nan 8.270 nan 0.000 0.433 73 T N 0.755 115.324 114.554 0.025 0.000 2.867 73 T HA -0.101 4.276 4.350 0.045 0.000 0.268 73 T C 0.936 175.657 174.700 0.035 0.000 1.057 73 T CA 1.222 63.339 62.100 0.028 0.000 1.136 73 T CB -0.266 68.614 68.868 0.019 0.000 0.874 73 T HN 0.351 nan 8.240 nan 0.000 0.466 74 D N 1.498 121.920 120.400 0.036 0.000 2.084 74 D HA 0.001 4.669 4.640 0.045 0.000 0.196 74 D C 2.194 178.533 176.300 0.065 0.000 0.985 74 D CA 0.764 54.790 54.000 0.044 0.000 0.826 74 D CB -0.502 40.324 40.800 0.044 0.000 0.978 74 D HN 0.306 nan 8.370 nan 0.000 0.456 75 L N 0.878 122.152 121.223 0.085 0.000 2.042 75 L HA -0.179 4.188 4.340 0.045 0.000 0.210 75 L C 1.781 178.718 176.870 0.111 0.000 1.076 75 L CA 1.079 55.997 54.840 0.130 0.000 0.749 75 L CB -0.376 41.774 42.059 0.152 0.000 0.893 75 L HN -0.086 nan 8.230 nan 0.000 0.432 76 D N -0.612 119.838 120.400 0.083 0.000 2.350 76 D HA -0.128 4.539 4.640 0.045 0.000 0.216 76 D C 2.259 178.591 176.300 0.053 0.000 0.968 76 D CA 0.616 54.656 54.000 0.067 0.000 0.894 76 D CB 0.042 40.874 40.800 0.053 0.000 0.909 76 D HN 0.327 nan 8.370 nan 0.000 0.520 77 Q N -0.187 119.643 119.800 0.049 0.000 2.331 77 Q HA 0.042 4.409 4.340 0.045 0.000 0.203 77 Q C 0.525 176.544 176.000 0.033 0.000 0.944 77 Q CA 0.160 55.985 55.803 0.035 0.000 0.892 77 Q CB 0.098 28.853 28.738 0.029 0.000 0.983 77 Q HN 0.141 nan 8.270 nan 0.000 0.482 78 V N 2.922 122.863 119.914 0.045 0.000 2.421 78 V HA 0.019 4.166 4.120 0.045 0.000 0.271 78 V C 1.482 177.598 176.094 0.036 0.000 1.031 78 V CA 0.944 63.266 62.300 0.037 0.000 1.032 78 V CB 0.495 32.349 31.823 0.052 0.000 1.009 78 V HN 0.378 nan 8.190 nan 0.000 0.477 79 T N 0.370 114.936 114.554 0.019 0.000 2.990 79 T HA 0.141 4.518 4.350 0.045 0.000 0.249 79 T C 0.686 175.389 174.700 0.005 0.000 1.039 79 T CA 0.205 62.315 62.100 0.017 0.000 1.036 79 T CB 0.447 69.323 68.868 0.012 0.000 0.994 79 T HN 0.559 nan 8.240 nan 0.000 0.489 80 T N 2.010 116.558 114.554 -0.010 0.000 2.906 80 T HA 0.739 5.116 4.350 0.045 0.000 0.295 80 T C -1.939 172.724 174.700 -0.061 0.000 1.061 80 T CA -0.627 61.453 62.100 -0.033 0.000 1.000 80 T CB 2.168 71.016 68.868 -0.035 0.000 1.103 80 T HN 0.210 nan 8.240 nan 0.000 0.486 81 L N 3.041 124.197 121.223 -0.112 0.000 2.596 81 L HA 0.397 4.765 4.340 0.045 0.000 0.265 81 L C -1.494 175.201 176.870 -0.291 0.000 0.962 81 L CA -0.441 54.286 54.840 -0.188 0.000 0.891 81 L CB 1.914 43.857 42.059 -0.193 0.000 1.248 81 L HN 0.453 nan 8.230 nan 0.000 0.410 82 Q N 5.081 124.743 119.800 -0.230 0.000 2.465 82 Q HA 0.625 4.992 4.340 0.045 0.000 0.237 82 Q C 0.086 175.940 176.000 -0.244 0.000 1.051 82 Q CA 0.059 55.725 55.803 -0.227 0.000 0.874 82 Q CB 1.554 30.212 28.738 -0.135 0.000 1.207 82 Q HN 0.679 nan 8.270 nan 0.000 0.508 83 A N 2.639 125.236 122.820 -0.372 0.000 2.643 83 A HA 0.143 4.490 4.320 0.045 0.000 0.295 83 A C 0.043 177.546 177.584 -0.134 0.000 1.065 83 A CA -0.626 51.248 52.037 -0.272 0.000 0.986 83 A CB 0.112 18.901 19.000 -0.352 0.000 1.212 83 A HN 0.579 nan 8.150 nan 0.000 0.516 84 D N -0.172 120.157 120.400 -0.118 0.000 2.362 84 D HA 0.153 4.820 4.640 0.045 0.000 0.242 84 D C -0.036 176.258 176.300 -0.011 0.000 1.132 84 D CA -0.225 53.749 54.000 -0.043 0.000 0.907 84 D CB 0.382 41.151 40.800 -0.052 0.000 1.195 84 D HN 0.274 nan 8.370 nan 0.000 0.429 85 R N 0.289 120.796 120.500 0.011 0.000 3.336 85 R HA -0.157 4.210 4.340 0.045 0.000 0.260 85 R C 0.115 176.424 176.300 0.015 0.000 1.032 85 R CA 0.264 56.372 56.100 0.013 0.000 0.693 85 R CB -1.968 28.335 30.300 0.006 0.000 1.134 85 R HN 0.567 nan 8.270 nan 0.000 0.433 86 L N -1.056 120.184 121.223 0.028 0.000 2.966 86 L HA 0.236 4.603 4.340 0.045 0.000 0.262 86 L C 1.389 178.278 176.870 0.032 0.000 1.165 86 L CA 0.419 55.275 54.840 0.027 0.000 0.978 86 L CB 1.035 43.111 42.059 0.029 0.000 1.337 86 L HN 0.584 nan 8.230 nan 0.000 0.563 87 G N 1.805 110.625 108.800 0.033 0.000 2.249 87 G HA2 -0.291 3.696 3.960 0.045 0.000 0.273 87 G HA3 -0.291 3.696 3.960 0.045 0.000 0.273 87 G C 0.171 175.090 174.900 0.033 0.000 1.036 87 G CA -0.022 45.095 45.100 0.029 0.000 0.824 87 G HN 0.329 nan 8.290 nan 0.000 0.504 88 I N -0.428 120.170 120.570 0.047 0.000 2.517 88 I HA 0.161 4.358 4.170 0.045 0.000 0.285 88 I C 1.453 177.580 176.117 0.017 0.000 1.106 88 I CA 0.217 61.545 61.300 0.046 0.000 1.402 88 I CB 1.000 39.056 38.000 0.092 0.000 1.399 88 I HN 0.121 nan 8.210 nan 0.000 0.535 89 K N 2.992 123.396 120.400 0.006 0.000 2.354 89 K HA 0.154 4.502 4.320 0.045 0.000 0.194 89 K C 0.400 176.984 176.600 -0.026 0.000 1.045 89 K CA 0.216 56.499 56.287 -0.008 0.000 1.026 89 K CB 0.586 33.086 32.500 0.000 0.000 0.866 89 K HN 0.542 nan 8.250 nan 0.000 0.530 90 S N 0.662 116.344 115.700 -0.028 0.000 2.546 90 S HA 0.339 4.837 4.470 0.045 0.000 0.272 90 S C -0.200 174.360 174.600 -0.067 0.000 1.140 90 S CA -0.918 57.254 58.200 -0.046 0.000 0.920 90 S CB 0.991 64.182 63.200 -0.014 0.000 1.083 90 S HN 0.290 nan 8.310 nan 0.000 0.476 91 I N 0.164 120.653 120.570 -0.136 0.000 3.884 91 I HA 0.476 4.673 4.170 0.045 0.000 0.330 91 I C -0.500 175.602 176.117 -0.025 0.000 1.451 91 I CA -0.560 60.639 61.300 -0.169 0.000 1.165 91 I CB -0.247 37.451 38.000 -0.503 0.000 1.097 91 I HN 0.297 nan 8.210 nan 0.000 0.404 92 D N 3.013 123.415 120.400 0.003 0.000 2.487 92 D HA 0.303 4.971 4.640 0.045 0.000 0.243 92 D C 1.294 177.630 176.300 0.061 0.000 1.154 92 D CA 1.717 55.725 54.000 0.013 0.000 0.876 92 D CB 1.251 42.054 40.800 0.006 0.000 1.161 92 D HN 0.592 nan 8.370 nan 0.000 0.478 93 G N 0.858 109.659 108.800 0.000 0.000 2.339 93 G HA2 -0.325 3.662 3.960 0.045 0.000 0.209 93 G HA3 -0.325 3.662 3.960 0.045 0.000 0.209 93 G C 1.220 176.166 174.900 0.077 0.000 1.015 93 G CA 0.219 45.231 45.100 -0.146 0.000 0.635 93 G HN 0.720 nan 8.290 nan 0.000 0.499 94 V N 0.966 121.034 119.914 0.256 0.000 2.867 94 V HA 0.028 4.175 4.120 0.045 0.000 0.260 94 V C 2.451 178.600 176.094 0.092 0.000 1.099 94 V CA 2.607 65.082 62.300 0.292 0.000 1.122 94 V CB -0.283 31.681 31.823 0.236 0.000 0.708 94 V HN 0.702 nan 8.190 nan 0.000 0.490 95 E N 0.520 120.659 120.200 -0.101 0.000 2.265 95 E HA -0.254 4.123 4.350 0.045 0.000 0.196 95 E C 1.713 178.128 176.600 -0.309 0.000 0.996 95 E CA 1.643 57.892 56.400 -0.252 0.000 0.832 95 E CB -0.773 28.699 29.700 -0.381 0.000 0.756 95 E HN 0.736 nan 8.360 nan 0.000 0.491 96 Y N 0.839 121.141 120.300 0.004 0.000 2.546 96 Y HA 0.217 4.794 4.550 0.045 0.000 0.287 96 Y C 1.366 177.304 175.900 0.063 0.000 1.158 96 Y CA 0.228 58.331 58.100 0.004 0.000 1.307 96 Y CB 0.117 38.541 38.460 -0.060 0.000 1.036 96 Y HN -0.088 nan 8.280 nan 0.000 0.532 97 L N 1.198 122.544 121.223 0.205 0.000 2.648 97 L HA 0.140 4.507 4.340 0.045 0.000 0.238 97 L C 0.815 177.750 176.870 0.109 0.000 1.316 97 L CA -0.192 54.758 54.840 0.183 0.000 1.241 97 L CB -0.244 41.950 42.059 0.226 0.000 1.499 97 L HN 0.265 nan 8.230 nan 0.000 0.411 98 N N 1.127 119.880 118.700 0.087 0.000 2.192 98 N HA -0.177 4.590 4.740 0.045 0.000 0.188 98 N C 0.958 176.495 175.510 0.046 0.000 1.013 98 N CA 1.326 54.407 53.050 0.052 0.000 0.863 98 N CB 0.089 38.606 38.487 0.050 0.000 0.990 98 N HN 0.534 nan 8.380 nan 0.000 0.430 99 N N 0.731 119.463 118.700 0.052 0.000 2.336 99 N HA 0.099 4.867 4.740 0.045 0.000 0.189 99 N C 0.135 175.668 175.510 0.039 0.000 1.113 99 N CA -0.040 53.034 53.050 0.041 0.000 0.858 99 N CB 0.312 38.822 38.487 0.038 0.000 0.970 99 N HN 0.248 nan 8.380 nan 0.000 0.471 100 L N 1.228 122.481 121.223 0.049 0.000 2.540 100 L HA -0.030 4.337 4.340 0.045 0.000 0.276 100 L C 1.716 178.607 176.870 0.035 0.000 1.212 100 L CA 0.361 55.229 54.840 0.046 0.000 0.893 100 L CB 0.552 42.653 42.059 0.070 0.000 1.138 100 L HN 0.193 nan 8.230 nan 0.000 0.491 101 T N -0.835 113.733 114.554 0.023 0.000 2.955 101 T HA 0.174 4.552 4.350 0.045 0.000 0.251 101 T C 0.563 175.271 174.700 0.013 0.000 1.002 101 T CA -0.144 61.966 62.100 0.018 0.000 0.970 101 T CB 0.452 69.327 68.868 0.012 0.000 1.091 101 T HN 0.568 nan 8.240 nan 0.000 0.495 102 Q N 0.972 120.774 119.800 0.004 0.000 2.289 102 Q HA 0.681 5.048 4.340 0.045 0.000 0.270 102 Q C -1.454 174.526 176.000 -0.034 0.000 1.038 102 Q CA -0.845 54.952 55.803 -0.011 0.000 0.812 102 Q CB 2.981 31.707 28.738 -0.021 0.000 1.300 102 Q HN 0.657 nan 8.270 nan 0.000 0.427 103 I N -0.593 119.953 120.570 -0.041 0.000 2.686 103 I HA 0.670 4.868 4.170 0.045 0.000 0.295 103 I C -1.308 174.709 176.117 -0.166 0.000 1.114 103 I CA -0.884 60.341 61.300 -0.125 0.000 1.038 103 I CB 2.321 40.337 38.000 0.025 0.000 1.238 103 I HN 0.354 nan 8.210 nan 0.000 0.420 104 N N 4.695 123.179 118.700 -0.360 0.000 2.531 104 N HA 0.451 5.218 4.740 0.045 0.000 0.268 104 N C -1.472 173.756 175.510 -0.469 0.000 1.023 104 N CA -0.607 52.278 53.050 -0.276 0.000 0.896 104 N CB 1.006 39.379 38.487 -0.190 0.000 1.233 104 N HN 0.681 nan 8.380 nan 0.000 0.512 105 F N 0.712 120.636 119.950 -0.042 0.000 2.791 105 F HA 0.235 4.787 4.527 0.041 0.000 0.308 105 F C 1.199 176.964 175.800 -0.058 0.000 1.138 105 F CA -0.514 57.461 58.000 -0.042 0.000 1.294 105 F CB -0.026 38.954 39.000 -0.033 0.000 0.975 105 F HN 0.279 nan 8.300 nan 0.000 0.512 106 S N 0.208 115.931 115.700 0.039 0.000 2.579 106 S HA 0.101 4.599 4.470 0.045 0.000 0.275 106 S C 0.630 175.227 174.600 -0.005 0.000 1.345 106 S CA -0.469 57.715 58.200 -0.028 0.000 1.031 106 S CB 0.330 63.478 63.200 -0.087 0.000 0.892 106 S HN 0.474 nan 8.310 nan 0.000 0.529 107 N N 1.741 120.427 118.700 -0.023 0.000 2.727 107 N HA -0.142 4.625 4.740 0.045 0.000 0.251 107 N C -0.817 174.706 175.510 0.022 0.000 1.040 107 N CA 0.683 53.733 53.050 0.000 0.000 0.712 107 N CB -1.548 36.943 38.487 0.006 0.000 0.912 107 N HN 0.710 nan 8.380 nan 0.000 0.545 108 N N 0.365 119.081 118.700 0.028 0.000 3.369 108 N HA 0.322 5.089 4.740 0.045 0.000 0.362 108 N C 0.096 175.617 175.510 0.018 0.000 1.523 108 N CA -0.327 52.745 53.050 0.038 0.000 0.684 108 N CB 0.446 38.978 38.487 0.075 0.000 1.796 108 N HN 0.155 nan 8.380 nan 0.000 0.641 109 Q N 0.787 120.595 119.800 0.013 0.000 2.217 109 Q HA 0.431 4.798 4.340 0.045 0.000 0.340 109 Q C -0.665 175.328 176.000 -0.012 0.000 0.893 109 Q CA -0.115 55.689 55.803 0.002 0.000 1.142 109 Q CB 0.636 29.377 28.738 0.005 0.000 1.288 109 Q HN 0.291 nan 8.270 nan 0.000 0.426 110 L N 0.727 121.936 121.223 -0.023 0.000 2.426 110 L HA 0.218 4.585 4.340 0.045 0.000 0.271 110 L C 1.261 178.107 176.870 -0.039 0.000 1.169 110 L CA 0.281 55.092 54.840 -0.049 0.000 0.836 110 L CB 0.675 42.687 42.059 -0.080 0.000 1.112 110 L HN 0.388 nan 8.230 nan 0.000 0.465 111 T N -2.626 111.902 114.554 -0.043 0.000 3.330 111 T HA 0.053 4.430 4.350 0.045 0.000 0.240 111 T C 0.315 174.990 174.700 -0.042 0.000 0.988 111 T CA -0.295 61.785 62.100 -0.033 0.000 1.253 111 T CB 0.011 68.865 68.868 -0.023 0.000 1.163 111 T HN 0.425 nan 8.240 nan 0.000 0.382 112 D N 2.051 122.423 120.400 -0.047 0.000 2.348 112 D HA 0.255 4.922 4.640 0.045 0.000 0.253 112 D C 0.681 176.938 176.300 -0.073 0.000 1.161 112 D CA -0.737 53.233 54.000 -0.051 0.000 0.876 112 D CB 0.580 41.353 40.800 -0.045 0.000 1.160 112 D HN 0.637 nan 8.370 nan 0.000 0.459 113 I N 0.252 120.782 120.570 -0.067 0.000 3.947 113 I HA 0.167 4.365 4.170 0.045 0.000 0.327 113 I C 1.055 177.131 176.117 -0.069 0.000 1.519 113 I CA -0.541 60.709 61.300 -0.083 0.000 1.122 113 I CB 0.284 38.241 38.000 -0.071 0.000 1.146 113 I HN 0.089 nan 8.210 nan 0.000 0.442 114 T N 2.765 117.282 114.554 -0.061 0.000 2.680 114 T HA -0.107 4.270 4.350 0.045 0.000 0.268 114 T C -0.572 174.087 174.700 -0.068 0.000 1.033 114 T CA 2.229 64.294 62.100 -0.057 0.000 1.152 114 T CB -1.279 67.558 68.868 -0.051 0.000 0.859 114 T HN 0.378 nan 8.240 nan 0.000 0.452 115 P HA 0.047 nan 4.420 nan 0.000 0.229 115 P C 1.062 178.317 177.300 -0.074 0.000 1.150 115 P CA 0.753 63.797 63.100 -0.093 0.000 0.765 115 P CB -0.271 31.374 31.700 -0.092 0.000 0.783 116 L N -1.134 120.055 121.223 -0.057 0.000 2.446 116 L HA -0.026 4.341 4.340 0.045 0.000 0.219 116 L C 2.097 178.951 176.870 -0.026 0.000 1.116 116 L CA 0.546 55.369 54.840 -0.028 0.000 0.844 116 L CB -0.644 41.407 42.059 -0.015 0.000 0.970 116 L HN -0.005 nan 8.230 nan 0.000 0.457 117 K N 0.597 120.974 120.400 -0.037 0.000 2.127 117 K HA -0.231 4.117 4.320 0.045 0.000 0.208 117 K C 1.041 177.624 176.600 -0.029 0.000 1.047 117 K CA 2.049 58.317 56.287 -0.032 0.000 0.927 117 K CB -0.915 31.563 32.500 -0.037 0.000 0.716 117 K HN 0.342 nan 8.250 nan 0.000 0.450 118 N N -0.146 118.531 118.700 -0.038 0.000 2.230 118 N HA 0.197 4.965 4.740 0.045 0.000 0.202 118 N C -0.701 174.796 175.510 -0.021 0.000 1.119 118 N CA -0.199 52.831 53.050 -0.033 0.000 0.851 118 N CB 0.287 38.745 38.487 -0.048 0.000 0.990 118 N HN 0.026 nan 8.380 nan 0.000 0.497 119 L N 1.843 123.059 121.223 -0.013 0.000 2.480 119 L HA 0.124 4.491 4.340 0.045 0.000 0.243 119 L C 1.365 178.241 176.870 0.010 0.000 1.315 119 L CA -0.081 54.762 54.840 0.004 0.000 1.231 119 L CB -0.548 41.523 42.059 0.020 0.000 1.444 119 L HN 0.266 nan 8.230 nan 0.000 0.409 120 T N -3.902 110.655 114.554 0.005 0.000 3.113 120 T HA -0.084 4.293 4.350 0.045 0.000 0.263 120 T C 1.460 176.167 174.700 0.011 0.000 1.143 120 T CA 0.500 62.604 62.100 0.007 0.000 1.090 120 T CB -0.064 68.806 68.868 0.003 0.000 0.922 120 T HN 0.382 nan 8.240 nan 0.000 0.521 121 K N 0.497 120.906 120.400 0.015 0.000 2.486 121 K HA 0.241 4.588 4.320 0.045 0.000 0.194 121 K C 0.383 176.995 176.600 0.019 0.000 1.033 121 K CA -0.034 56.263 56.287 0.016 0.000 1.004 121 K CB -0.186 32.325 32.500 0.019 0.000 0.798 121 K HN 0.424 nan 8.250 nan 0.000 0.495 122 L N 2.002 123.239 121.223 0.022 0.000 2.534 122 L HA -0.054 4.313 4.340 0.045 0.000 0.271 122 L C 1.355 178.238 176.870 0.020 0.000 1.178 122 L CA -0.243 54.612 54.840 0.025 0.000 0.907 122 L CB 0.736 42.815 42.059 0.033 0.000 1.164 122 L HN 0.017 nan 8.230 nan 0.000 0.482 123 V N -1.139 118.786 119.914 0.018 0.000 3.570 123 V HA 0.310 4.457 4.120 0.045 0.000 0.257 123 V C 0.210 176.314 176.094 0.017 0.000 1.272 123 V CA 0.188 62.498 62.300 0.016 0.000 1.079 123 V CB 0.686 32.517 31.823 0.013 0.000 0.829 123 V HN 0.762 nan 8.190 nan 0.000 0.454 124 D N -0.522 119.888 120.400 0.017 0.000 2.964 124 D HA 0.668 5.335 4.640 0.045 0.000 0.234 124 D C -1.292 175.019 176.300 0.019 0.000 1.223 124 D CA -0.294 53.717 54.000 0.017 0.000 0.889 124 D CB 2.257 43.063 40.800 0.010 0.000 1.609 124 D HN 0.273 nan 8.370 nan 0.000 0.523 125 I N 3.814 124.399 120.570 0.025 0.000 2.478 125 I HA 0.334 4.531 4.170 0.045 0.000 0.287 125 I C -0.886 175.241 176.117 0.017 0.000 1.042 125 I CA -0.715 60.605 61.300 0.033 0.000 1.067 125 I CB 1.653 39.682 38.000 0.048 0.000 1.233 125 I HN 0.241 nan 8.210 nan 0.000 0.431 126 L N 7.071 128.296 121.223 0.003 0.000 2.298 126 L HA 0.557 4.924 4.340 0.045 0.000 0.284 126 L C 0.068 176.925 176.870 -0.021 0.000 1.013 126 L CA -0.104 54.718 54.840 -0.030 0.000 0.824 126 L CB 1.571 43.605 42.059 -0.042 0.000 1.221 126 L HN 0.729 nan 8.230 nan 0.000 0.418 127 M N 3.360 122.916 119.600 -0.074 0.000 3.741 127 M HA 0.106 4.613 4.480 0.045 0.000 0.507 127 M C -0.362 175.841 176.300 -0.161 0.000 1.722 127 M CA -0.301 54.970 55.300 -0.049 0.000 0.692 127 M CB 0.462 33.072 32.600 0.016 0.000 1.492 127 M HN 0.644 nan 8.290 nan 0.000 0.555 128 N N 0.295 118.782 118.700 -0.356 0.000 2.415 128 N HA 0.026 4.793 4.740 0.045 0.000 0.248 128 N C -0.116 175.206 175.510 -0.313 0.000 1.271 128 N CA 0.255 52.954 53.050 -0.585 0.000 0.913 128 N CB 0.297 37.816 38.487 -1.615 0.000 1.129 128 N HN 0.323 nan 8.380 nan 0.000 0.444 129 N N -0.101 118.473 118.700 -0.210 0.000 2.699 129 N HA -0.168 4.600 4.740 0.045 0.000 0.257 129 N C -1.525 173.961 175.510 -0.040 0.000 1.077 129 N CA 0.497 53.505 53.050 -0.069 0.000 0.702 129 N CB -1.059 37.409 38.487 -0.032 0.000 0.886 129 N HN 0.713 nan 8.380 nan 0.000 0.549 130 N N 0.157 118.836 118.700 -0.034 0.000 3.439 130 N HA 0.376 5.143 4.740 0.045 0.000 0.343 130 N C -0.575 174.929 175.510 -0.011 0.000 1.597 130 N CA -0.366 52.673 53.050 -0.019 0.000 0.733 130 N CB 0.383 38.855 38.487 -0.025 0.000 1.973 130 N HN 0.225 nan 8.380 nan 0.000 0.646 131 Q N 0.735 120.528 119.800 -0.011 0.000 2.217 131 Q HA 0.491 4.858 4.340 0.045 0.000 0.340 131 Q C -0.788 175.206 176.000 -0.011 0.000 0.893 131 Q CA -0.067 55.732 55.803 -0.006 0.000 1.142 131 Q CB 0.323 29.059 28.738 -0.003 0.000 1.288 131 Q HN 0.415 nan 8.270 nan 0.000 0.426 132 I N 0.550 121.112 120.570 -0.014 0.000 2.452 132 I HA 0.160 4.358 4.170 0.045 0.000 0.287 132 I C 0.927 177.039 176.117 -0.009 0.000 1.079 132 I CA -0.053 61.237 61.300 -0.017 0.000 1.387 132 I CB 1.305 39.291 38.000 -0.022 0.000 1.404 132 I HN 0.338 nan 8.210 nan 0.000 0.522 133 A N 4.228 127.042 122.820 -0.010 0.000 2.108 133 A HA 0.102 4.450 4.320 0.045 0.000 0.206 133 A C 0.548 178.127 177.584 -0.008 0.000 1.212 133 A CA 0.296 52.329 52.037 -0.006 0.000 0.843 133 A CB 0.208 19.205 19.000 -0.006 0.000 0.902 133 A HN 0.637 nan 8.150 nan 0.000 0.477 134 D N 0.310 120.702 120.400 -0.013 0.000 2.440 134 D HA 0.408 5.075 4.640 0.045 0.000 0.239 134 D C 0.337 176.627 176.300 -0.016 0.000 1.084 134 D CA -0.466 53.525 54.000 -0.014 0.000 0.843 134 D CB 0.865 41.655 40.800 -0.017 0.000 1.097 134 D HN 0.355 nan 8.370 nan 0.000 0.531 135 I N 1.064 121.626 120.570 -0.013 0.000 3.891 135 I HA 0.185 4.383 4.170 0.045 0.000 0.331 135 I C 1.558 177.668 176.117 -0.013 0.000 1.406 135 I CA -0.354 60.939 61.300 -0.012 0.000 1.139 135 I CB 0.380 38.376 38.000 -0.007 0.000 1.056 135 I HN 0.186 nan 8.210 nan 0.000 0.399 136 T N 2.767 117.312 114.554 -0.015 0.000 2.737 136 T HA -0.030 4.347 4.350 0.045 0.000 0.269 136 T C -0.287 174.403 174.700 -0.017 0.000 1.040 136 T CA 1.976 64.066 62.100 -0.015 0.000 1.142 136 T CB -0.897 67.961 68.868 -0.016 0.000 0.861 136 T HN 0.328 nan 8.240 nan 0.000 0.456 137 P HA 0.047 nan 4.420 nan 0.000 0.226 137 P C 1.062 178.352 177.300 -0.017 0.000 1.146 137 P CA 0.787 63.873 63.100 -0.023 0.000 0.773 137 P CB -0.200 31.482 31.700 -0.031 0.000 0.772 138 L N -2.061 119.155 121.223 -0.011 0.000 2.509 138 L HA 0.108 4.475 4.340 0.045 0.000 0.222 138 L C 2.246 179.114 176.870 -0.004 0.000 1.123 138 L CA 0.419 55.256 54.840 -0.004 0.000 0.856 138 L CB -0.770 41.289 42.059 -0.000 0.000 0.985 138 L HN -0.047 nan 8.230 nan 0.000 0.456 139 A N 0.420 123.236 122.820 -0.007 0.000 1.978 139 A HA -0.165 4.183 4.320 0.045 0.000 0.220 139 A C 1.747 179.328 177.584 -0.005 0.000 1.170 139 A CA 1.490 53.523 52.037 -0.006 0.000 0.636 139 A CB -0.310 18.684 19.000 -0.009 0.000 0.810 139 A HN 0.451 nan 8.150 nan 0.000 0.448 140 N N -0.293 118.403 118.700 -0.006 0.000 2.238 140 N HA 0.199 4.967 4.740 0.045 0.000 0.222 140 N C -0.399 175.110 175.510 -0.002 0.000 1.133 140 N CA 0.031 53.078 53.050 -0.005 0.000 0.854 140 N CB 0.473 38.955 38.487 -0.007 0.000 1.041 140 N HN 0.394 nan 8.380 nan 0.000 0.510 141 L N 1.739 122.963 121.223 0.001 0.000 2.648 141 L HA 0.144 4.511 4.340 0.045 0.000 0.238 141 L C 1.657 178.532 176.870 0.007 0.000 1.316 141 L CA -0.086 54.757 54.840 0.005 0.000 1.241 141 L CB -0.414 41.650 42.059 0.008 0.000 1.499 141 L HN 0.043 nan 8.230 nan 0.000 0.411 142 T N -4.307 110.250 114.554 0.005 0.000 3.072 142 T HA -0.055 4.323 4.350 0.045 0.000 0.266 142 T C 1.322 176.027 174.700 0.008 0.000 1.127 142 T CA 0.469 62.572 62.100 0.006 0.000 1.107 142 T CB -0.113 68.758 68.868 0.004 0.000 0.910 142 T HN 0.360 nan 8.240 nan 0.000 0.513 143 N N 0.950 119.656 118.700 0.009 0.000 2.398 143 N HA 0.202 4.969 4.740 0.045 0.000 0.188 143 N C 0.200 175.717 175.510 0.013 0.000 1.122 143 N CA 0.000 53.057 53.050 0.011 0.000 0.866 143 N CB -0.085 38.408 38.487 0.010 0.000 0.970 143 N HN 0.471 nan 8.380 nan 0.000 0.462 144 L N 1.516 122.748 121.223 0.014 0.000 2.584 144 L HA -0.019 4.348 4.340 0.045 0.000 0.272 144 L C 1.645 178.525 176.870 0.018 0.000 1.195 144 L CA 0.260 55.110 54.840 0.017 0.000 0.920 144 L CB 0.520 42.590 42.059 0.019 0.000 1.173 144 L HN 0.169 nan 8.230 nan 0.000 0.489 145 T N -1.573 112.992 114.554 0.019 0.000 2.990 145 T HA 0.224 4.601 4.350 0.045 0.000 0.250 145 T C 0.628 175.343 174.700 0.025 0.000 1.041 145 T CA 0.254 62.366 62.100 0.020 0.000 1.010 145 T CB 0.578 69.456 68.868 0.017 0.000 1.003 145 T HN 0.605 nan 8.240 nan 0.000 0.499 146 G N 1.282 110.098 108.800 0.027 0.000 2.707 146 G HA2 0.623 4.610 3.960 0.045 0.000 0.299 146 G HA3 0.623 4.610 3.960 0.045 0.000 0.299 146 G C -2.080 172.842 174.900 0.036 0.000 1.442 146 G CA -0.659 44.461 45.100 0.034 0.000 1.009 146 G HN 0.336 nan 8.290 nan 0.000 0.515 147 L N 1.739 122.989 121.223 0.046 0.000 2.441 147 L HA 0.741 5.108 4.340 0.045 0.000 0.270 147 L C -0.541 176.365 176.870 0.060 0.000 0.973 147 L CA -0.313 54.553 54.840 0.044 0.000 0.842 147 L CB 2.309 44.391 42.059 0.039 0.000 1.239 147 L HN 0.393 nan 8.230 nan 0.000 0.406 148 T N 6.801 121.379 114.554 0.041 0.000 2.809 148 T HA 0.542 4.919 4.350 0.045 0.000 0.296 148 T C 0.456 175.121 174.700 -0.059 0.000 1.015 148 T CA -0.060 62.062 62.100 0.038 0.000 0.954 148 T CB 0.711 69.598 68.868 0.031 0.000 0.950 148 T HN 0.563 nan 8.240 nan 0.000 0.450 149 L N 3.072 124.286 121.223 -0.014 0.000 3.439 149 L HA 0.376 4.743 4.340 0.045 0.000 0.313 149 L C 0.070 176.935 176.870 -0.009 0.000 1.292 149 L CA -0.673 54.138 54.840 -0.048 0.000 1.020 149 L CB 0.066 42.132 42.059 0.012 0.000 1.424 149 L HN 0.616 nan 8.230 nan 0.000 0.612 150 F N -1.336 118.637 119.950 0.039 0.000 2.490 150 F HA 0.299 4.834 4.527 0.014 0.000 0.336 150 F C 1.185 177.005 175.800 0.032 0.000 1.178 150 F CA -0.709 57.314 58.000 0.037 0.000 1.301 150 F CB -0.013 39.007 39.000 0.034 0.000 1.175 150 F HN 0.092 nan 8.300 nan 0.000 0.593 151 N N 1.915 120.778 118.700 0.271 0.000 2.671 151 N HA -0.244 4.523 4.740 0.045 0.000 0.261 151 N C -1.404 174.136 175.510 0.050 0.000 1.053 151 N CA 0.628 53.769 53.050 0.150 0.000 0.732 151 N CB -1.011 37.589 38.487 0.188 0.000 0.887 151 N HN 0.858 nan 8.380 nan 0.000 0.546 152 N N 0.271 119.001 118.700 0.049 0.000 3.455 152 N HA 0.337 5.104 4.740 0.045 0.000 0.358 152 N C -0.407 175.120 175.510 0.028 0.000 1.580 152 N CA -0.389 52.673 53.050 0.021 0.000 0.692 152 N CB 0.433 38.922 38.487 0.003 0.000 1.978 152 N HN 0.307 nan 8.380 nan 0.000 0.651 153 Q N 0.745 120.556 119.800 0.017 0.000 2.233 153 Q HA 0.456 4.823 4.340 0.045 0.000 0.340 153 Q C -0.657 175.351 176.000 0.014 0.000 0.899 153 Q CA -0.098 55.715 55.803 0.017 0.000 1.139 153 Q CB 0.470 29.214 28.738 0.010 0.000 1.273 153 Q HN 0.408 nan 8.270 nan 0.000 0.431 154 I N 0.064 120.646 120.570 0.019 0.000 2.395 154 I HA 0.093 4.290 4.170 0.045 0.000 0.289 154 I C 0.898 177.021 176.117 0.012 0.000 1.023 154 I CA 0.290 61.597 61.300 0.013 0.000 1.350 154 I CB 1.528 39.538 38.000 0.017 0.000 1.409 154 I HN 0.146 nan 8.210 nan 0.000 0.507 155 T N 1.752 116.307 114.554 0.002 0.000 3.114 155 T HA 0.027 4.404 4.350 0.045 0.000 0.240 155 T C 0.176 174.868 174.700 -0.013 0.000 0.983 155 T CA 0.169 62.268 62.100 -0.003 0.000 1.151 155 T CB 0.098 68.965 68.868 -0.002 0.000 0.974 155 T HN 0.551 nan 8.240 nan 0.000 0.442 156 D N 2.147 122.539 120.400 -0.014 0.000 2.347 156 D HA 0.198 4.865 4.640 0.045 0.000 0.235 156 D C 0.674 176.961 176.300 -0.021 0.000 1.149 156 D CA -0.619 53.369 54.000 -0.019 0.000 0.850 156 D CB 0.496 41.287 40.800 -0.016 0.000 1.061 156 D HN 0.444 nan 8.370 nan 0.000 0.487 157 I N 0.014 120.566 120.570 -0.030 0.000 3.904 157 I HA 0.244 4.441 4.170 0.045 0.000 0.333 157 I C 0.574 176.674 176.117 -0.028 0.000 1.361 157 I CA -0.380 60.902 61.300 -0.029 0.000 1.116 157 I CB 0.364 38.340 38.000 -0.041 0.000 1.028 157 I HN -0.004 nan 8.210 nan 0.000 0.398 158 D N 3.092 123.476 120.400 -0.027 0.000 2.190 158 D HA -0.113 4.554 4.640 0.045 0.000 0.200 158 D C -0.408 175.882 176.300 -0.017 0.000 0.992 158 D CA 1.393 55.379 54.000 -0.023 0.000 0.854 158 D CB -1.393 39.394 40.800 -0.021 0.000 0.936 158 D HN 0.382 nan 8.370 nan 0.000 0.462 159 P HA -0.051 nan 4.420 nan 0.000 0.225 159 P C 1.325 178.621 177.300 -0.008 0.000 1.148 159 P CA 0.650 63.743 63.100 -0.011 0.000 0.779 159 P CB -0.054 31.640 31.700 -0.010 0.000 0.780 160 L N -0.280 120.937 121.223 -0.009 0.000 2.554 160 L HA -0.010 4.357 4.340 0.045 0.000 0.226 160 L C 2.323 179.189 176.870 -0.006 0.000 1.137 160 L CA 0.644 55.481 54.840 -0.005 0.000 0.863 160 L CB -0.822 41.235 42.059 -0.004 0.000 0.985 160 L HN 0.116 nan 8.230 nan 0.000 0.451 161 K N -0.211 120.184 120.400 -0.010 0.000 2.147 161 K HA -0.149 4.199 4.320 0.045 0.000 0.205 161 K C 1.005 177.602 176.600 -0.005 0.000 1.049 161 K CA 1.509 57.790 56.287 -0.010 0.000 0.936 161 K CB -0.194 32.298 32.500 -0.013 0.000 0.722 161 K HN 0.233 nan 8.250 nan 0.000 0.446 162 N N 0.852 119.550 118.700 -0.004 0.000 2.270 162 N HA 0.111 4.879 4.740 0.045 0.000 0.198 162 N C -0.160 175.351 175.510 0.002 0.000 1.117 162 N CA 0.239 53.288 53.050 -0.001 0.000 0.845 162 N CB 0.399 38.885 38.487 -0.002 0.000 0.980 162 N HN 0.213 nan 8.380 nan 0.000 0.486 163 L N 1.509 122.734 121.223 0.004 0.000 2.583 163 L HA 0.152 4.520 4.340 0.045 0.000 0.239 163 L C 1.285 178.161 176.870 0.010 0.000 1.347 163 L CA -0.074 54.770 54.840 0.008 0.000 1.246 163 L CB -0.623 41.441 42.059 0.010 0.000 1.496 163 L HN 0.063 nan 8.230 nan 0.000 0.413 164 T N -4.652 109.907 114.554 0.008 0.000 3.160 164 T HA -0.018 4.359 4.350 0.045 0.000 0.257 164 T C 1.293 176.000 174.700 0.011 0.000 1.147 164 T CA 0.248 62.353 62.100 0.009 0.000 1.064 164 T CB -0.093 68.779 68.868 0.007 0.000 0.949 164 T HN 0.345 nan 8.240 nan 0.000 0.526 165 N N 0.914 119.621 118.700 0.012 0.000 2.398 165 N HA 0.207 4.974 4.740 0.045 0.000 0.188 165 N C 0.250 175.769 175.510 0.016 0.000 1.122 165 N CA -0.020 53.038 53.050 0.013 0.000 0.866 165 N CB 0.015 38.508 38.487 0.011 0.000 0.970 165 N HN 0.464 nan 8.380 nan 0.000 0.462 166 L N 2.511 123.745 121.223 0.019 0.000 2.559 166 L HA -0.028 4.339 4.340 0.045 0.000 0.274 166 L C 1.622 178.507 176.870 0.026 0.000 1.205 166 L CA 0.218 55.073 54.840 0.024 0.000 0.907 166 L CB 0.350 42.426 42.059 0.028 0.000 1.153 166 L HN 0.315 nan 8.230 nan 0.000 0.490 167 N N 3.638 122.354 118.700 0.027 0.000 2.273 167 N HA 0.031 4.798 4.740 0.045 0.000 0.192 167 N C 0.482 176.012 175.510 0.033 0.000 1.132 167 N CA -0.365 52.701 53.050 0.027 0.000 0.887 167 N CB 0.937 39.436 38.487 0.021 0.000 1.048 167 N HN 0.528 nan 8.380 nan 0.000 0.490 168 R N 0.868 121.392 120.500 0.039 0.000 2.514 168 R HA 0.407 4.774 4.340 0.045 0.000 0.296 168 R C -2.146 174.191 176.300 0.062 0.000 1.012 168 R CA -0.598 55.531 56.100 0.049 0.000 0.897 168 R CB 1.548 31.876 30.300 0.046 0.000 1.184 168 R HN 0.148 nan 8.270 nan 0.000 0.440 169 L N 3.206 124.475 121.223 0.077 0.000 2.439 169 L HA 0.487 4.854 4.340 0.045 0.000 0.270 169 L C -1.617 175.330 176.870 0.129 0.000 0.972 169 L CA -0.144 54.753 54.840 0.095 0.000 0.836 169 L CB 2.184 44.296 42.059 0.088 0.000 1.255 169 L HN 0.656 nan 8.230 nan 0.000 0.404 170 E N 5.827 126.122 120.200 0.158 0.000 2.220 170 E HA 0.465 4.843 4.350 0.045 0.000 0.256 170 E C -0.370 176.382 176.600 0.254 0.000 0.881 170 E CA -0.094 56.439 56.400 0.222 0.000 0.766 170 E CB 1.733 31.626 29.700 0.321 0.000 1.187 170 E HN 0.640 nan 8.360 nan 0.000 0.419 171 L N 1.525 122.891 121.223 0.238 0.000 3.229 171 L HA 0.260 4.627 4.340 0.045 0.000 0.286 171 L C -0.030 176.975 176.870 0.226 0.000 1.239 171 L CA -0.143 54.827 54.840 0.218 0.000 1.035 171 L CB 0.843 43.011 42.059 0.182 0.000 1.408 171 L HN 0.336 nan 8.230 nan 0.000 0.593 172 S N -0.010 115.823 115.700 0.222 0.000 2.573 172 S HA 0.091 4.588 4.470 0.045 0.000 0.277 172 S C 0.952 175.657 174.600 0.175 0.000 1.346 172 S CA 0.019 58.307 58.200 0.146 0.000 1.034 172 S CB 0.742 63.946 63.200 0.007 0.000 0.879 172 S HN 0.407 nan 8.310 nan 0.000 0.528 173 S N 1.663 117.434 115.700 0.120 0.000 3.797 173 S HA -0.125 4.373 4.470 0.045 0.000 0.374 173 S C 0.028 174.692 174.600 0.107 0.000 0.970 173 S CA 0.307 58.572 58.200 0.109 0.000 1.177 173 S CB -1.473 61.800 63.200 0.123 0.000 0.891 173 S HN 0.730 nan 8.310 nan 0.000 0.491 174 N N 0.404 119.161 118.700 0.095 0.000 3.369 174 N HA 0.574 5.341 4.740 0.045 0.000 0.362 174 N C 0.417 175.961 175.510 0.056 0.000 1.523 174 N CA 0.066 53.159 53.050 0.072 0.000 0.684 174 N CB 1.002 39.533 38.487 0.073 0.000 1.796 174 N HN 0.390 nan 8.380 nan 0.000 0.641 175 T N -1.304 113.274 114.554 0.040 0.000 3.483 175 T HA 0.501 4.878 4.350 0.045 0.000 0.258 175 T C 0.191 174.903 174.700 0.020 0.000 1.013 175 T CA -0.320 61.798 62.100 0.030 0.000 1.078 175 T CB -1.133 67.748 68.868 0.022 0.000 1.111 175 T HN 0.253 nan 8.240 nan 0.000 0.538 176 I N 2.480 123.064 120.570 0.024 0.000 2.441 176 I HA 0.270 4.467 4.170 0.045 0.000 0.287 176 I C 1.304 177.415 176.117 -0.010 0.000 1.049 176 I CA -0.344 60.953 61.300 -0.005 0.000 1.381 176 I CB 1.433 39.420 38.000 -0.023 0.000 1.409 176 I HN 0.508 nan 8.210 nan 0.000 0.523 177 S N 1.816 117.500 115.700 -0.026 0.000 2.589 177 S HA 0.134 4.631 4.470 0.045 0.000 0.235 177 S C 0.067 174.637 174.600 -0.050 0.000 1.051 177 S CA -0.395 57.791 58.200 -0.023 0.000 0.978 177 S CB 0.203 63.398 63.200 -0.009 0.000 0.929 177 S HN 0.666 nan 8.310 nan 0.000 0.523 178 D N 1.846 122.204 120.400 -0.071 0.000 2.481 178 D HA 0.386 5.053 4.640 0.045 0.000 0.246 178 D C 0.371 176.591 176.300 -0.133 0.000 1.109 178 D CA -0.767 53.183 54.000 -0.084 0.000 0.845 178 D CB 1.226 41.993 40.800 -0.054 0.000 1.160 178 D HN 0.393 nan 8.370 nan 0.000 0.534 179 I N 0.737 121.199 120.570 -0.180 0.000 3.891 179 I HA 0.230 4.427 4.170 0.045 0.000 0.331 179 I C 0.924 176.952 176.117 -0.148 0.000 1.406 179 I CA -0.462 60.692 61.300 -0.244 0.000 1.139 179 I CB 0.322 38.032 38.000 -0.484 0.000 1.056 179 I HN 0.035 nan 8.210 nan 0.000 0.399 180 S N 2.228 117.871 115.700 -0.095 0.000 2.392 180 S HA -0.249 4.248 4.470 0.045 0.000 0.232 180 S C 2.242 176.810 174.600 -0.053 0.000 1.041 180 S CA 1.890 60.054 58.200 -0.061 0.000 1.026 180 S CB -0.285 62.888 63.200 -0.044 0.000 0.845 180 S HN 0.769 nan 8.310 nan 0.000 0.465 181 A N 1.045 123.830 122.820 -0.059 0.000 2.125 181 A HA 0.063 4.410 4.320 0.045 0.000 0.219 181 A C 1.907 179.467 177.584 -0.041 0.000 1.156 181 A CA 0.838 52.849 52.037 -0.044 0.000 0.671 181 A CB -0.611 18.363 19.000 -0.043 0.000 0.794 181 A HN 0.512 nan 8.150 nan 0.000 0.459 182 L N 0.441 121.629 121.223 -0.058 0.000 2.376 182 L HA -0.109 4.258 4.340 0.045 0.000 0.219 182 L C 2.753 179.613 176.870 -0.016 0.000 1.133 182 L CA 1.080 55.897 54.840 -0.038 0.000 0.816 182 L CB -0.608 41.416 42.059 -0.058 0.000 0.933 182 L HN 0.586 nan 8.230 nan 0.000 0.449 183 S N 0.210 115.897 115.700 -0.020 0.000 2.400 183 S HA -0.137 4.361 4.470 0.045 0.000 0.232 183 S C 1.783 176.383 174.600 -0.001 0.000 1.025 183 S CA 1.186 59.380 58.200 -0.009 0.000 0.993 183 S CB -0.665 62.528 63.200 -0.012 0.000 0.808 183 S HN 0.451 nan 8.310 nan 0.000 0.478 184 G N 0.494 109.293 108.800 -0.003 0.000 3.233 184 G HA2 0.415 4.402 3.960 0.045 0.000 0.234 184 G HA3 0.415 4.402 3.960 0.045 0.000 0.234 184 G C 0.403 175.306 174.900 0.005 0.000 1.137 184 G CA -0.463 44.637 45.100 0.001 0.000 0.763 184 G HN 0.509 nan 8.290 nan 0.000 0.549 185 L N 2.755 123.983 121.223 0.008 0.000 2.583 185 L HA 0.153 4.520 4.340 0.045 0.000 0.239 185 L C 1.752 178.633 176.870 0.019 0.000 1.347 185 L CA -0.155 54.693 54.840 0.014 0.000 1.246 185 L CB -0.212 41.857 42.059 0.018 0.000 1.496 185 L HN 0.175 nan 8.230 nan 0.000 0.413 186 T N -5.378 109.185 114.554 0.015 0.000 3.215 186 T HA -0.003 4.374 4.350 0.045 0.000 0.254 186 T C 1.319 176.028 174.700 0.015 0.000 1.149 186 T CA 0.258 62.367 62.100 0.015 0.000 1.042 186 T CB 0.104 68.979 68.868 0.011 0.000 0.966 186 T HN 0.337 nan 8.240 nan 0.000 0.534 187 S N 0.253 115.964 115.700 0.017 0.000 2.559 187 S HA 0.389 4.886 4.470 0.045 0.000 0.226 187 S C 0.504 175.117 174.600 0.021 0.000 1.000 187 S CA -0.550 57.660 58.200 0.017 0.000 0.948 187 S CB -0.036 63.173 63.200 0.015 0.000 0.870 187 S HN 0.470 nan 8.310 nan 0.000 0.497 188 L N 2.422 123.661 121.223 0.026 0.000 2.559 188 L HA 0.040 4.407 4.340 0.045 0.000 0.274 188 L C 1.323 178.210 176.870 0.029 0.000 1.205 188 L CA 0.418 55.278 54.840 0.033 0.000 0.907 188 L CB 0.423 42.508 42.059 0.045 0.000 1.153 188 L HN 0.298 nan 8.230 nan 0.000 0.490 189 Q N 1.950 121.766 119.800 0.026 0.000 2.423 189 Q HA 0.136 4.503 4.340 0.045 0.000 0.231 189 Q C -0.214 175.797 176.000 0.019 0.000 0.894 189 Q CA 0.326 56.141 55.803 0.020 0.000 0.938 189 Q CB 0.729 29.476 28.738 0.015 0.000 1.079 189 Q HN 0.635 nan 8.270 nan 0.000 0.552 190 Q N 0.898 120.714 119.800 0.025 0.000 2.330 190 Q HA 0.574 4.942 4.340 0.045 0.000 0.269 190 Q C -1.766 174.259 176.000 0.041 0.000 1.022 190 Q CA -0.495 55.321 55.803 0.023 0.000 0.796 190 Q CB 2.508 31.258 28.738 0.019 0.000 1.271 190 Q HN -0.015 nan 8.270 nan 0.000 0.450 191 L N 1.382 122.626 121.223 0.036 0.000 2.470 191 L HA 0.670 5.037 4.340 0.045 0.000 0.268 191 L C -1.606 175.278 176.870 0.023 0.000 0.964 191 L CA -0.053 54.832 54.840 0.075 0.000 0.839 191 L CB 2.442 44.578 42.059 0.129 0.000 1.276 191 L HN 0.537 nan 8.230 nan 0.000 0.403 192 S N 4.208 119.942 115.700 0.057 0.000 2.557 192 S HA 0.769 5.266 4.470 0.045 0.000 0.291 192 S C -0.764 173.899 174.600 0.104 0.000 1.116 192 S CA -0.423 57.752 58.200 -0.043 0.000 0.992 192 S CB 0.744 63.903 63.200 -0.069 0.000 1.028 192 S HN 0.620 nan 8.310 nan 0.000 0.484 193 F N 2.078 122.031 119.950 0.005 0.000 2.671 193 F HA 0.457 5.007 4.527 0.037 0.000 0.384 193 F C 0.196 175.999 175.800 0.004 0.000 1.351 193 F CA -0.852 57.157 58.000 0.015 0.000 1.151 193 F CB -0.605 38.407 39.000 0.020 0.000 1.147 193 F HN 0.397 nan 8.300 nan 0.000 0.513 194 S N -0.455 115.199 115.700 -0.077 0.000 2.573 194 S HA 0.331 4.828 4.470 0.045 0.000 0.277 194 S C 0.747 175.359 174.600 0.021 0.000 1.346 194 S CA 0.210 58.366 58.200 -0.073 0.000 1.034 194 S CB 0.800 63.931 63.200 -0.115 0.000 0.879 194 S HN 0.716 nan 8.310 nan 0.000 0.528 195 S N 1.754 117.467 115.700 0.021 0.000 3.711 195 S HA -0.120 4.377 4.470 0.045 0.000 0.374 195 S C -0.080 174.565 174.600 0.076 0.000 0.969 195 S CA 0.576 58.801 58.200 0.041 0.000 1.198 195 S CB -2.050 61.166 63.200 0.027 0.000 0.903 195 S HN 0.837 nan 8.310 nan 0.000 0.493 196 N N 0.209 118.969 118.700 0.100 0.000 3.379 196 N HA 0.461 5.228 4.740 0.045 0.000 0.350 196 N C 0.153 175.715 175.510 0.086 0.000 1.553 196 N CA -0.624 52.491 53.050 0.109 0.000 0.712 196 N CB 0.640 39.226 38.487 0.165 0.000 1.880 196 N HN 0.215 nan 8.380 nan 0.000 0.648 197 Q N 1.148 120.992 119.800 0.072 0.000 2.233 197 Q HA 0.360 4.727 4.340 0.045 0.000 0.340 197 Q C -1.576 174.454 176.000 0.050 0.000 0.899 197 Q CA -0.177 55.656 55.803 0.051 0.000 1.139 197 Q CB -0.019 28.737 28.738 0.031 0.000 1.273 197 Q HN 0.276 nan 8.270 nan 0.000 0.431 198 V N 1.056 121.022 119.914 0.087 0.000 2.465 198 V HA 0.315 4.462 4.120 0.045 0.000 0.279 198 V C 1.107 177.252 176.094 0.085 0.000 1.045 198 V CA 0.614 62.962 62.300 0.080 0.000 0.938 198 V CB 1.297 33.207 31.823 0.145 0.000 0.986 198 V HN 0.625 nan 8.190 nan 0.000 0.467 199 T N -0.944 113.641 114.554 0.050 0.000 2.954 199 T HA 0.134 4.511 4.350 0.045 0.000 0.252 199 T C 0.281 175.006 174.700 0.042 0.000 0.983 199 T CA 0.031 62.159 62.100 0.046 0.000 0.941 199 T CB 0.260 69.145 68.868 0.028 0.000 1.141 199 T HN 0.517 nan 8.240 nan 0.000 0.500 200 D N 1.110 121.526 120.400 0.028 0.000 2.427 200 D HA 0.371 5.038 4.640 0.045 0.000 0.226 200 D C 0.722 177.038 176.300 0.027 0.000 1.076 200 D CA -0.722 53.290 54.000 0.021 0.000 0.849 200 D CB 0.812 41.614 40.800 0.003 0.000 1.052 200 D HN 0.219 nan 8.370 nan 0.000 0.515 201 L N 3.292 124.547 121.223 0.054 0.000 2.591 201 L HA 0.082 4.449 4.340 0.045 0.000 0.228 201 L C 2.142 179.040 176.870 0.048 0.000 1.133 201 L CA -0.122 54.766 54.840 0.080 0.000 0.880 201 L CB -0.086 42.041 42.059 0.114 0.000 1.033 201 L HN 0.260 nan 8.230 nan 0.000 0.450 202 K N 0.822 121.237 120.400 0.025 0.000 2.173 202 K HA -0.171 4.176 4.320 0.045 0.000 0.207 202 K C -0.420 176.187 176.600 0.011 0.000 1.046 202 K CA 1.483 57.780 56.287 0.016 0.000 0.929 202 K CB -1.385 31.120 32.500 0.008 0.000 0.720 202 K HN 0.300 nan 8.250 nan 0.000 0.453 203 P HA -0.060 nan 4.420 nan 0.000 0.228 203 P C 1.015 178.320 177.300 0.008 0.000 1.151 203 P CA 0.771 63.865 63.100 -0.009 0.000 0.770 203 P CB -0.030 31.646 31.700 -0.040 0.000 0.786 204 L N -1.773 119.470 121.223 0.033 0.000 2.552 204 L HA 0.028 4.395 4.340 0.045 0.000 0.227 204 L C 2.309 179.202 176.870 0.038 0.000 1.146 204 L CA 0.451 55.324 54.840 0.054 0.000 0.858 204 L CB -0.936 41.181 42.059 0.095 0.000 0.969 204 L HN -0.023 nan 8.230 nan 0.000 0.451 205 A N 1.088 123.924 122.820 0.027 0.000 1.915 205 A HA -0.253 4.095 4.320 0.045 0.000 0.220 205 A C 1.817 179.412 177.584 0.018 0.000 1.198 205 A CA 2.182 54.231 52.037 0.020 0.000 0.647 205 A CB -0.467 18.541 19.000 0.014 0.000 0.825 205 A HN 0.462 nan 8.150 nan 0.000 0.456 206 N N -0.353 118.357 118.700 0.016 0.000 2.314 206 N HA 0.171 4.938 4.740 0.045 0.000 0.200 206 N C -0.104 175.416 175.510 0.017 0.000 1.135 206 N CA 0.208 53.266 53.050 0.014 0.000 0.835 206 N CB 0.178 38.671 38.487 0.010 0.000 0.989 206 N HN 0.475 nan 8.380 nan 0.000 0.478 207 L N 1.258 122.495 121.223 0.023 0.000 2.865 207 L HA 0.183 4.550 4.340 0.045 0.000 0.233 207 L C 1.357 178.242 176.870 0.024 0.000 1.320 207 L CA -0.143 54.713 54.840 0.026 0.000 1.225 207 L CB -0.445 41.637 42.059 0.038 0.000 1.542 207 L HN 0.023 nan 8.230 nan 0.000 0.432 208 T N -5.031 109.533 114.554 0.018 0.000 3.051 208 T HA -0.136 4.241 4.350 0.045 0.000 0.269 208 T C 1.790 176.498 174.700 0.013 0.000 1.127 208 T CA 1.175 63.284 62.100 0.014 0.000 1.107 208 T CB -0.406 68.469 68.868 0.011 0.000 0.898 208 T HN 0.551 nan 8.240 nan 0.000 0.517 209 T N 0.208 114.770 114.554 0.015 0.000 3.085 209 T HA 0.245 4.622 4.350 0.045 0.000 0.263 209 T C 0.793 175.502 174.700 0.015 0.000 1.127 209 T CA -0.257 61.852 62.100 0.014 0.000 1.103 209 T CB -0.762 68.115 68.868 0.014 0.000 0.921 209 T HN 0.384 nan 8.240 nan 0.000 0.510 210 L N 1.932 123.167 121.223 0.019 0.000 2.559 210 L HA 0.092 4.459 4.340 0.045 0.000 0.274 210 L C 1.359 178.234 176.870 0.009 0.000 1.205 210 L CA 0.405 55.256 54.840 0.018 0.000 0.907 210 L CB 0.389 42.463 42.059 0.026 0.000 1.153 210 L HN 0.298 nan 8.230 nan 0.000 0.490 211 E N 2.685 122.889 120.200 0.006 0.000 2.364 211 E HA 0.169 4.547 4.350 0.045 0.000 0.203 211 E C -0.070 176.525 176.600 -0.008 0.000 0.888 211 E CA 0.076 56.475 56.400 -0.001 0.000 0.989 211 E CB 0.681 30.381 29.700 -0.000 0.000 0.985 211 E HN 0.508 nan 8.360 nan 0.000 0.499 212 R N 0.998 121.493 120.500 -0.009 0.000 2.532 212 R HA 0.509 4.876 4.340 0.045 0.000 0.297 212 R C -1.580 174.702 176.300 -0.030 0.000 0.984 212 R CA -0.658 55.429 56.100 -0.023 0.000 0.884 212 R CB 2.152 32.438 30.300 -0.023 0.000 1.182 212 R HN -0.090 nan 8.270 nan 0.000 0.442 213 L N 1.819 123.011 121.223 -0.052 0.000 2.431 213 L HA 0.513 4.880 4.340 0.045 0.000 0.266 213 L C -1.605 175.180 176.870 -0.140 0.000 0.978 213 L CA -0.383 54.406 54.840 -0.086 0.000 0.822 213 L CB 2.147 44.165 42.059 -0.067 0.000 1.310 213 L HN 0.493 nan 8.230 nan 0.000 0.409 214 D N 4.378 124.647 120.400 -0.218 0.000 2.549 214 D HA 0.392 5.059 4.640 0.045 0.000 0.251 214 D C 0.090 176.101 176.300 -0.482 0.000 1.153 214 D CA -0.182 53.660 54.000 -0.262 0.000 0.861 214 D CB 1.206 41.886 40.800 -0.199 0.000 1.207 214 D HN 0.604 nan 8.370 nan 0.000 0.543 215 I N 0.135 120.448 120.570 -0.429 0.000 3.947 215 I HA 0.352 4.549 4.170 0.045 0.000 0.327 215 I C -0.032 175.937 176.117 -0.248 0.000 1.519 215 I CA -0.567 60.411 61.300 -0.536 0.000 1.122 215 I CB 0.556 38.309 38.000 -0.412 0.000 1.146 215 I HN -0.052 nan 8.210 nan 0.000 0.442 216 S N 1.133 116.720 115.700 -0.188 0.000 2.563 216 S HA 0.102 4.599 4.470 0.045 0.000 0.284 216 S C 0.952 175.513 174.600 -0.065 0.000 1.331 216 S CA 0.310 58.447 58.200 -0.105 0.000 1.047 216 S CB 0.545 63.688 63.200 -0.096 0.000 0.859 216 S HN 0.592 nan 8.310 nan 0.000 0.514 217 S N 1.772 117.451 115.700 -0.036 0.000 3.711 217 S HA -0.132 4.365 4.470 0.045 0.000 0.374 217 S C 0.184 174.793 174.600 0.015 0.000 0.969 217 S CA 0.374 58.568 58.200 -0.011 0.000 1.198 217 S CB -1.421 61.772 63.200 -0.012 0.000 0.903 217 S HN 0.736 nan 8.310 nan 0.000 0.493 218 N N 0.713 119.427 118.700 0.024 0.000 3.312 218 N HA 0.394 5.161 4.740 0.045 0.000 0.361 218 N C 0.036 175.572 175.510 0.044 0.000 1.476 218 N CA -0.748 52.338 53.050 0.060 0.000 0.669 218 N CB 0.567 39.123 38.487 0.116 0.000 1.629 218 N HN 0.140 nan 8.380 nan 0.000 0.612 219 K N 1.168 121.600 120.400 0.054 0.000 3.167 219 K HA 0.346 4.693 4.320 0.045 0.000 0.208 219 K C -0.983 175.640 176.600 0.038 0.000 1.159 219 K CA -0.108 56.201 56.287 0.037 0.000 1.018 219 K CB 0.826 33.346 32.500 0.032 0.000 0.927 219 K HN 0.152 nan 8.250 nan 0.000 0.476 220 V N 1.828 121.765 119.914 0.038 0.000 2.406 220 V HA 0.045 4.192 4.120 0.045 0.000 0.272 220 V C 1.135 177.242 176.094 0.020 0.000 1.043 220 V CA 0.087 62.409 62.300 0.037 0.000 0.915 220 V CB 1.334 33.182 31.823 0.042 0.000 0.988 220 V HN 0.490 nan 8.190 nan 0.000 0.466 221 S N 1.926 117.637 115.700 0.019 0.000 2.613 221 S HA 0.133 4.631 4.470 0.045 0.000 0.235 221 S C 0.458 175.065 174.600 0.012 0.000 1.073 221 S CA -0.101 58.106 58.200 0.012 0.000 0.899 221 S CB 0.274 63.480 63.200 0.009 0.000 0.818 221 S HN 0.654 nan 8.310 nan 0.000 0.484 222 D N 2.237 122.647 120.400 0.017 0.000 2.412 222 D HA 0.338 5.005 4.640 0.045 0.000 0.224 222 D C 0.510 176.822 176.300 0.020 0.000 1.093 222 D CA -0.726 53.283 54.000 0.016 0.000 0.850 222 D CB 0.798 41.608 40.800 0.016 0.000 1.046 222 D HN 0.537 nan 8.370 nan 0.000 0.507 223 I N 1.021 121.600 120.570 0.015 0.000 3.914 223 I HA 0.148 4.346 4.170 0.045 0.000 0.333 223 I C 1.445 177.570 176.117 0.014 0.000 1.449 223 I CA -0.398 60.911 61.300 0.016 0.000 1.135 223 I CB 0.091 38.096 38.000 0.008 0.000 1.073 223 I HN 0.159 nan 8.210 nan 0.000 0.401 224 S N 0.775 116.483 115.700 0.014 0.000 2.387 224 S HA -0.220 4.277 4.470 0.045 0.000 0.230 224 S C 1.896 176.504 174.600 0.014 0.000 1.035 224 S CA 1.474 59.681 58.200 0.011 0.000 1.014 224 S CB -0.999 62.206 63.200 0.010 0.000 0.836 224 S HN 0.452 nan 8.310 nan 0.000 0.466 225 V N 2.048 121.973 119.914 0.019 0.000 2.568 225 V HA -0.070 4.078 4.120 0.045 0.000 0.253 225 V C 2.202 178.309 176.094 0.022 0.000 1.072 225 V CA 1.636 63.950 62.300 0.022 0.000 1.084 225 V CB -0.693 31.148 31.823 0.031 0.000 0.676 225 V HN 0.632 nan 8.190 nan 0.000 0.469 226 L N 0.127 121.362 121.223 0.020 0.000 2.191 226 L HA -0.116 4.251 4.340 0.045 0.000 0.212 226 L C 2.730 179.606 176.870 0.010 0.000 1.103 226 L CA 1.309 56.158 54.840 0.015 0.000 0.769 226 L CB -1.027 41.037 42.059 0.009 0.000 0.908 226 L HN 0.433 nan 8.230 nan 0.000 0.438 227 A N 0.487 123.312 122.820 0.009 0.000 2.032 227 A HA -0.219 4.128 4.320 0.045 0.000 0.221 227 A C 2.287 179.875 177.584 0.007 0.000 1.165 227 A CA 1.594 53.635 52.037 0.006 0.000 0.645 227 A CB -0.330 18.674 19.000 0.005 0.000 0.807 227 A HN 0.391 nan 8.150 nan 0.000 0.453 228 K N -0.672 119.734 120.400 0.010 0.000 2.366 228 K HA 0.148 4.495 4.320 0.045 0.000 0.198 228 K C -0.031 176.575 176.600 0.011 0.000 1.044 228 K CA 0.325 56.618 56.287 0.010 0.000 0.973 228 K CB -0.077 32.431 32.500 0.012 0.000 0.767 228 K HN 0.440 nan 8.250 nan 0.000 0.475 229 L N 2.423 123.652 121.223 0.011 0.000 2.598 229 L HA 0.100 4.467 4.340 0.045 0.000 0.241 229 L C 1.158 178.032 176.870 0.006 0.000 1.244 229 L CA -0.299 54.548 54.840 0.011 0.000 1.198 229 L CB -0.148 41.920 42.059 0.015 0.000 1.448 229 L HN 0.167 nan 8.230 nan 0.000 0.406 230 T N -4.170 110.387 114.554 0.005 0.000 3.072 230 T HA -0.066 4.311 4.350 0.045 0.000 0.266 230 T C 1.330 176.031 174.700 0.002 0.000 1.127 230 T CA 0.556 62.657 62.100 0.003 0.000 1.107 230 T CB -0.127 68.743 68.868 0.003 0.000 0.910 230 T HN 0.362 nan 8.240 nan 0.000 0.513 231 N N 0.934 119.636 118.700 0.003 0.000 2.398 231 N HA 0.210 4.977 4.740 0.045 0.000 0.188 231 N C 0.225 175.735 175.510 -0.000 0.000 1.122 231 N CA -0.016 53.035 53.050 0.002 0.000 0.866 231 N CB -0.124 38.365 38.487 0.004 0.000 0.970 231 N HN 0.469 nan 8.380 nan 0.000 0.462 232 L N 1.398 122.620 121.223 -0.001 0.000 2.559 232 L HA -0.043 4.324 4.340 0.045 0.000 0.274 232 L C 1.250 178.115 176.870 -0.009 0.000 1.205 232 L CA 0.499 55.336 54.840 -0.006 0.000 0.907 232 L CB 0.551 42.605 42.059 -0.008 0.000 1.153 232 L HN 0.112 nan 8.230 nan 0.000 0.490 233 E N 0.831 121.025 120.200 -0.011 0.000 2.372 233 E HA 0.063 4.440 4.350 0.045 0.000 0.201 233 E C 0.104 176.693 176.600 -0.018 0.000 0.938 233 E CA 0.020 56.412 56.400 -0.013 0.000 0.944 233 E CB 0.947 30.640 29.700 -0.011 0.000 0.937 233 E HN 0.460 nan 8.360 nan 0.000 0.495 234 S N 0.884 116.570 115.700 -0.023 0.000 2.614 234 S HA 0.500 4.997 4.470 0.045 0.000 0.288 234 S C -1.794 172.782 174.600 -0.039 0.000 1.137 234 S CA -0.740 57.441 58.200 -0.032 0.000 0.992 234 S CB 1.039 64.218 63.200 -0.035 0.000 1.026 234 S HN 0.108 nan 8.310 nan 0.000 0.486 235 L N 6.475 127.672 121.223 -0.043 0.000 2.372 235 L HA 0.693 5.060 4.340 0.045 0.000 0.274 235 L C -1.669 175.163 176.870 -0.064 0.000 0.988 235 L CA -0.477 54.331 54.840 -0.055 0.000 0.833 235 L CB 1.368 43.400 42.059 -0.044 0.000 1.236 235 L HN 0.580 nan 8.230 nan 0.000 0.410 236 I N 5.436 125.954 120.570 -0.085 0.000 2.355 236 I HA 0.592 4.789 4.170 0.045 0.000 0.288 236 I C 0.429 176.484 176.117 -0.105 0.000 0.999 236 I CA -0.390 60.857 61.300 -0.089 0.000 1.163 236 I CB 1.157 39.099 38.000 -0.097 0.000 1.316 236 I HN 0.792 nan 8.210 nan 0.000 0.454 237 A N 4.157 126.928 122.820 -0.082 0.000 2.843 237 A HA 0.353 4.701 4.320 0.045 0.000 0.248 237 A C 0.541 178.090 177.584 -0.059 0.000 0.904 237 A CA -0.415 51.574 52.037 -0.080 0.000 1.091 237 A CB -0.083 18.878 19.000 -0.064 0.000 1.208 237 A HN 0.688 nan 8.150 nan 0.000 0.476 238 T N -1.807 112.712 114.554 -0.059 0.000 2.898 238 T HA 0.375 4.752 4.350 0.045 0.000 0.301 238 T C 0.397 175.075 174.700 -0.038 0.000 1.049 238 T CA 0.433 62.507 62.100 -0.044 0.000 1.095 238 T CB -0.064 68.777 68.868 -0.045 0.000 0.976 238 T HN 0.627 nan 8.240 nan 0.000 0.539 239 N N 1.584 120.268 118.700 -0.027 0.000 2.727 239 N HA -0.155 4.612 4.740 0.045 0.000 0.251 239 N C -0.570 174.932 175.510 -0.015 0.000 1.040 239 N CA 0.529 53.568 53.050 -0.019 0.000 0.712 239 N CB -1.158 37.318 38.487 -0.019 0.000 0.912 239 N HN 0.660 nan 8.380 nan 0.000 0.545 240 N N -0.150 118.542 118.700 -0.014 0.000 3.369 240 N HA 0.380 5.147 4.740 0.045 0.000 0.362 240 N C -0.132 175.376 175.510 -0.004 0.000 1.523 240 N CA -0.417 52.629 53.050 -0.006 0.000 0.684 240 N CB 0.504 38.986 38.487 -0.009 0.000 1.796 240 N HN 0.073 nan 8.380 nan 0.000 0.641 241 Q N 0.657 120.457 119.800 -0.000 0.000 2.182 241 Q HA 0.491 4.859 4.340 0.045 0.000 0.305 241 Q C -0.859 175.140 176.000 -0.001 0.000 0.880 241 Q CA -0.095 55.708 55.803 -0.000 0.000 1.131 241 Q CB 0.019 28.759 28.738 0.004 0.000 1.237 241 Q HN 0.426 nan 8.270 nan 0.000 0.447 242 I N 0.612 121.180 120.570 -0.003 0.000 2.416 242 I HA 0.072 4.269 4.170 0.045 0.000 0.288 242 I C 1.063 177.177 176.117 -0.005 0.000 1.051 242 I CA 0.178 61.476 61.300 -0.004 0.000 1.375 242 I CB 1.308 39.303 38.000 -0.007 0.000 1.407 242 I HN 0.230 nan 8.210 nan 0.000 0.516 243 S N 1.993 117.691 115.700 -0.004 0.000 2.593 243 S HA 0.107 4.605 4.470 0.045 0.000 0.235 243 S C 0.161 174.759 174.600 -0.004 0.000 1.059 243 S CA -0.387 57.810 58.200 -0.004 0.000 0.953 243 S CB 0.196 63.394 63.200 -0.004 0.000 0.897 243 S HN 0.653 nan 8.310 nan 0.000 0.507 244 D N 1.907 122.305 120.400 -0.003 0.000 2.414 244 D HA 0.419 5.086 4.640 0.045 0.000 0.232 244 D C 0.529 176.828 176.300 -0.003 0.000 1.070 244 D CA -0.763 53.236 54.000 -0.002 0.000 0.839 244 D CB 1.059 41.859 40.800 -0.000 0.000 1.079 244 D HN 0.444 nan 8.370 nan 0.000 0.521 245 I N 0.895 121.462 120.570 -0.004 0.000 3.976 245 I HA 0.168 4.365 4.170 0.045 0.000 0.337 245 I C 1.580 177.695 176.117 -0.004 0.000 1.359 245 I CA -0.206 61.091 61.300 -0.005 0.000 1.098 245 I CB 0.014 38.010 38.000 -0.007 0.000 1.027 245 I HN 0.287 nan 8.210 nan 0.000 0.394 246 T N -0.177 114.375 114.554 -0.002 0.000 2.721 246 T HA -0.056 4.322 4.350 0.045 0.000 0.268 246 T C -0.278 174.421 174.700 -0.001 0.000 1.038 246 T CA 1.450 63.550 62.100 -0.002 0.000 1.145 246 T CB -2.065 66.802 68.868 -0.001 0.000 0.858 246 T HN 0.296 nan 8.240 nan 0.000 0.459 247 P HA 0.079 nan 4.420 nan 0.000 0.221 247 P C 1.359 178.658 177.300 -0.000 0.000 1.145 247 P CA 0.703 63.803 63.100 0.001 0.000 0.795 247 P CB -0.326 31.376 31.700 0.003 0.000 0.775 248 L N -1.988 119.234 121.223 -0.002 0.000 2.465 248 L HA 0.030 4.397 4.340 0.045 0.000 0.224 248 L C 2.513 179.381 176.870 -0.004 0.000 1.145 248 L CA 0.852 55.690 54.840 -0.004 0.000 0.834 248 L CB -1.395 40.660 42.059 -0.007 0.000 0.944 248 L HN 0.065 nan 8.230 nan 0.000 0.451 249 G N 2.261 111.060 108.800 -0.003 0.000 2.547 249 G HA2 -0.306 3.681 3.960 0.045 0.000 0.221 249 G HA3 -0.306 3.681 3.960 0.045 0.000 0.221 249 G C 1.422 176.321 174.900 -0.002 0.000 1.140 249 G CA 1.385 46.484 45.100 -0.002 0.000 0.760 249 G HN 0.634 nan 8.290 nan 0.000 0.583 250 I N -1.831 118.738 120.570 -0.001 0.000 3.875 250 I HA 0.392 4.589 4.170 0.045 0.000 0.329 250 I C 0.535 176.651 176.117 -0.001 0.000 1.295 250 I CA -0.134 61.166 61.300 -0.001 0.000 1.129 250 I CB 0.121 38.121 38.000 0.000 0.000 1.008 250 I HN -0.092 nan 8.210 nan 0.000 0.413 251 L N 2.951 124.173 121.223 -0.002 0.000 2.583 251 L HA 0.169 4.536 4.340 0.045 0.000 0.239 251 L C 1.565 178.433 176.870 -0.005 0.000 1.347 251 L CA -0.129 54.709 54.840 -0.003 0.000 1.246 251 L CB -0.402 41.654 42.059 -0.005 0.000 1.496 251 L HN 0.377 nan 8.230 nan 0.000 0.413 252 T N -4.444 110.108 114.554 -0.004 0.000 3.072 252 T HA -0.053 4.325 4.350 0.045 0.000 0.266 252 T C 1.354 176.051 174.700 -0.005 0.000 1.127 252 T CA 0.374 62.471 62.100 -0.004 0.000 1.107 252 T CB -0.110 68.756 68.868 -0.003 0.000 0.910 252 T HN 0.357 nan 8.240 nan 0.000 0.513 253 N N 1.064 119.761 118.700 -0.005 0.000 2.461 253 N HA 0.166 4.933 4.740 0.045 0.000 0.188 253 N C 0.185 175.690 175.510 -0.008 0.000 1.134 253 N CA 0.060 53.107 53.050 -0.005 0.000 0.878 253 N CB -0.124 38.360 38.487 -0.004 0.000 0.972 253 N HN 0.477 nan 8.380 nan 0.000 0.456 254 L N 2.000 123.218 121.223 -0.009 0.000 2.562 254 L HA -0.044 4.323 4.340 0.045 0.000 0.271 254 L C 1.107 177.970 176.870 -0.012 0.000 1.167 254 L CA -0.019 54.814 54.840 -0.012 0.000 0.917 254 L CB 0.451 42.502 42.059 -0.013 0.000 1.187 254 L HN 0.142 nan 8.230 nan 0.000 0.482 255 D N 0.729 121.121 120.400 -0.014 0.000 2.392 255 D HA -0.002 4.665 4.640 0.045 0.000 0.206 255 D C 0.391 176.681 176.300 -0.017 0.000 1.046 255 D CA -0.097 53.895 54.000 -0.014 0.000 0.865 255 D CB 0.478 41.270 40.800 -0.013 0.000 0.969 255 D HN 0.475 nan 8.370 nan 0.000 0.509 256 E N -0.098 120.090 120.200 -0.021 0.000 2.263 256 E HA 0.493 4.870 4.350 0.045 0.000 0.268 256 E C -2.034 174.549 176.600 -0.028 0.000 0.884 256 E CA -1.065 55.319 56.400 -0.026 0.000 0.766 256 E CB 1.601 31.283 29.700 -0.030 0.000 1.196 256 E HN 0.068 nan 8.360 nan 0.000 0.416 257 L N 3.441 124.647 121.223 -0.028 0.000 2.476 257 L HA 0.497 4.865 4.340 0.045 0.000 0.269 257 L C -1.667 175.184 176.870 -0.032 0.000 0.965 257 L CA -0.219 54.603 54.840 -0.030 0.000 0.845 257 L CB 2.133 44.178 42.059 -0.024 0.000 1.259 257 L HN 0.402 nan 8.230 nan 0.000 0.403 258 S N 5.287 120.964 115.700 -0.038 0.000 2.596 258 S HA 0.647 5.144 4.470 0.045 0.000 0.318 258 S C -0.239 174.338 174.600 -0.038 0.000 1.097 258 S CA -0.439 57.738 58.200 -0.039 0.000 1.080 258 S CB 0.582 63.755 63.200 -0.045 0.000 0.991 258 S HN 0.690 nan 8.310 nan 0.000 0.471 259 L N 4.051 125.255 121.223 -0.031 0.000 3.202 259 L HA 0.381 4.748 4.340 0.045 0.000 0.278 259 L C 0.704 177.559 176.870 -0.025 0.000 1.268 259 L CA -0.412 54.412 54.840 -0.028 0.000 1.034 259 L CB 0.140 42.186 42.059 -0.023 0.000 1.407 259 L HN 0.568 nan 8.230 nan 0.000 0.581 260 N N 2.147 120.831 118.700 -0.026 0.000 2.412 260 N HA -0.007 4.760 4.740 0.045 0.000 0.258 260 N C 0.891 176.388 175.510 -0.022 0.000 1.236 260 N CA 1.592 54.628 53.050 -0.023 0.000 0.882 260 N CB 0.924 39.397 38.487 -0.024 0.000 1.066 260 N HN 0.414 nan 8.380 nan 0.000 0.465 261 G N 2.461 111.250 108.800 -0.018 0.000 2.368 261 G HA2 -0.219 3.768 3.960 0.045 0.000 0.290 261 G HA3 -0.219 3.768 3.960 0.045 0.000 0.290 261 G C -0.122 174.769 174.900 -0.016 0.000 1.098 261 G CA -0.084 45.006 45.100 -0.016 0.000 1.073 261 G HN 0.757 nan 8.290 nan 0.000 0.511 262 N N -1.089 117.601 118.700 -0.015 0.000 3.550 262 N HA 0.431 5.199 4.740 0.045 0.000 0.357 262 N C 0.070 175.573 175.510 -0.012 0.000 1.585 262 N CA -0.612 52.430 53.050 -0.013 0.000 0.651 262 N CB 0.598 39.077 38.487 -0.014 0.000 2.273 262 N HN 0.128 nan 8.380 nan 0.000 0.631 263 Q N 1.203 120.997 119.800 -0.010 0.000 2.158 263 Q HA 0.415 4.782 4.340 0.045 0.000 0.306 263 Q C -0.631 175.363 176.000 -0.009 0.000 0.878 263 Q CA -0.134 55.663 55.803 -0.010 0.000 1.136 263 Q CB 0.514 29.247 28.738 -0.007 0.000 1.253 263 Q HN 0.423 nan 8.270 nan 0.000 0.441 264 L N 0.416 121.633 121.223 -0.010 0.000 2.397 264 L HA 0.246 4.613 4.340 0.045 0.000 0.271 264 L C 1.302 178.166 176.870 -0.010 0.000 1.148 264 L CA 0.296 55.130 54.840 -0.010 0.000 0.825 264 L CB 0.826 42.878 42.059 -0.011 0.000 1.117 264 L HN 0.135 nan 8.230 nan 0.000 0.456 265 K N 0.729 121.124 120.400 -0.008 0.000 2.757 265 K HA 0.041 4.388 4.320 0.045 0.000 0.201 265 K C 0.013 176.609 176.600 -0.007 0.000 1.495 265 K CA -0.365 55.918 56.287 -0.008 0.000 1.090 265 K CB 0.459 32.954 32.500 -0.007 0.000 1.796 265 K HN 0.572 nan 8.250 nan 0.000 0.523 266 D N 2.237 122.634 120.400 -0.006 0.000 2.338 266 D HA 0.055 4.722 4.640 0.045 0.000 0.255 266 D C 0.485 176.782 176.300 -0.006 0.000 1.237 266 D CA -0.189 53.807 54.000 -0.005 0.000 0.883 266 D CB 0.610 41.407 40.800 -0.004 0.000 1.087 266 D HN 0.410 nan 8.370 nan 0.000 0.485 267 I N 0.897 121.463 120.570 -0.006 0.000 3.877 267 I HA 0.425 4.622 4.170 0.045 0.000 0.332 267 I C 1.547 177.660 176.117 -0.005 0.000 1.525 267 I CA -0.779 60.517 61.300 -0.006 0.000 1.146 267 I CB 0.582 38.577 38.000 -0.007 0.000 1.137 267 I HN 0.316 nan 8.210 nan 0.000 0.424 268 G N 1.709 110.506 108.800 -0.005 0.000 2.469 268 G HA2 -0.253 3.734 3.960 0.045 0.000 0.220 268 G HA3 -0.253 3.734 3.960 0.045 0.000 0.220 268 G C 1.396 176.294 174.900 -0.004 0.000 1.136 268 G CA 1.742 46.840 45.100 -0.004 0.000 0.759 268 G HN 0.434 nan 8.290 nan 0.000 0.562 269 T N 1.477 116.029 114.554 -0.004 0.000 2.803 269 T HA -0.059 4.318 4.350 0.045 0.000 0.269 269 T C 2.305 177.002 174.700 -0.005 0.000 1.052 269 T CA 0.829 62.927 62.100 -0.004 0.000 1.136 269 T CB -0.175 68.690 68.868 -0.004 0.000 0.864 269 T HN 0.215 nan 8.240 nan 0.000 0.467 270 L N 0.731 121.951 121.223 -0.006 0.000 2.265 270 L HA -0.028 4.339 4.340 0.045 0.000 0.215 270 L C 2.983 179.849 176.870 -0.005 0.000 1.117 270 L CA 0.695 55.531 54.840 -0.006 0.000 0.782 270 L CB -0.762 41.293 42.059 -0.007 0.000 0.914 270 L HN 0.250 nan 8.230 nan 0.000 0.441 271 A N -0.286 122.531 122.820 -0.005 0.000 2.024 271 A HA -0.191 4.156 4.320 0.045 0.000 0.220 271 A C 2.469 180.050 177.584 -0.004 0.000 1.164 271 A CA 2.023 54.058 52.037 -0.004 0.000 0.643 271 A CB -0.425 18.573 19.000 -0.003 0.000 0.806 271 A HN 0.401 nan 8.150 nan 0.000 0.451 272 S N -0.537 115.161 115.700 -0.004 0.000 2.481 272 S HA 0.103 4.600 4.470 0.045 0.000 0.231 272 S C 0.758 175.356 174.600 -0.004 0.000 0.996 272 S CA 0.358 58.556 58.200 -0.004 0.000 0.942 272 S CB -0.215 62.983 63.200 -0.003 0.000 0.768 272 S HN 0.496 nan 8.310 nan 0.000 0.520 273 L N 3.082 124.302 121.223 -0.005 0.000 2.648 273 L HA 0.169 4.536 4.340 0.045 0.000 0.238 273 L C 1.588 178.455 176.870 -0.006 0.000 1.316 273 L CA -0.244 54.592 54.840 -0.006 0.000 1.241 273 L CB -0.536 41.518 42.059 -0.007 0.000 1.499 273 L HN 0.284 nan 8.230 nan 0.000 0.411 274 T N -4.065 110.487 114.554 -0.005 0.000 3.051 274 T HA -0.091 4.286 4.350 0.045 0.000 0.269 274 T C 1.336 176.033 174.700 -0.005 0.000 1.127 274 T CA 0.713 62.811 62.100 -0.004 0.000 1.107 274 T CB -0.109 68.757 68.868 -0.003 0.000 0.898 274 T HN 0.367 nan 8.240 nan 0.000 0.517 275 N N 0.791 119.487 118.700 -0.005 0.000 2.336 275 N HA 0.217 4.984 4.740 0.045 0.000 0.189 275 N C 0.207 175.713 175.510 -0.007 0.000 1.113 275 N CA -0.018 53.028 53.050 -0.006 0.000 0.858 275 N CB -0.085 38.398 38.487 -0.006 0.000 0.970 275 N HN 0.463 nan 8.380 nan 0.000 0.471 276 L N 1.588 122.806 121.223 -0.008 0.000 2.584 276 L HA -0.030 4.337 4.340 0.045 0.000 0.272 276 L C 1.724 178.589 176.870 -0.009 0.000 1.195 276 L CA 0.273 55.107 54.840 -0.009 0.000 0.920 276 L CB 0.510 42.563 42.059 -0.010 0.000 1.173 276 L HN 0.180 nan 8.230 nan 0.000 0.489 277 T N -2.543 112.004 114.554 -0.010 0.000 2.990 277 T HA 0.086 4.463 4.350 0.045 0.000 0.249 277 T C 0.280 174.973 174.700 -0.011 0.000 1.039 277 T CA -0.221 61.873 62.100 -0.010 0.000 1.036 277 T CB 0.390 69.252 68.868 -0.010 0.000 0.994 277 T HN 0.430 nan 8.240 nan 0.000 0.489 278 D N 0.577 120.968 120.400 -0.015 0.000 2.620 278 D HA 0.542 5.209 4.640 0.045 0.000 0.252 278 D C -1.717 174.572 176.300 -0.018 0.000 1.207 278 D CA -0.643 53.346 54.000 -0.018 0.000 0.884 278 D CB 1.794 42.579 40.800 -0.025 0.000 1.262 278 D HN 0.236 nan 8.370 nan 0.000 0.552 279 L N 3.609 124.823 121.223 -0.015 0.000 2.438 279 L HA 0.548 4.916 4.340 0.045 0.000 0.270 279 L C -1.693 175.168 176.870 -0.014 0.000 0.972 279 L CA -0.455 54.377 54.840 -0.015 0.000 0.831 279 L CB 2.022 44.074 42.059 -0.011 0.000 1.273 279 L HN 0.203 nan 8.230 nan 0.000 0.405 280 D N 4.932 125.321 120.400 -0.018 0.000 2.471 280 D HA 0.388 5.055 4.640 0.045 0.000 0.245 280 D C -0.394 175.895 176.300 -0.018 0.000 1.116 280 D CA -0.065 53.924 54.000 -0.018 0.000 0.853 280 D CB 1.159 41.944 40.800 -0.024 0.000 1.123 280 D HN 0.652 nan 8.370 nan 0.000 0.540 281 L N 2.310 123.524 121.223 -0.014 0.000 3.168 281 L HA 0.455 4.822 4.340 0.045 0.000 0.277 281 L C 0.913 177.774 176.870 -0.015 0.000 1.245 281 L CA -0.526 54.305 54.840 -0.015 0.000 1.035 281 L CB 0.643 42.694 42.059 -0.013 0.000 1.399 281 L HN 0.310 nan 8.230 nan 0.000 0.580 282 A N 0.201 123.013 122.820 -0.014 0.000 2.406 282 A HA 0.216 4.563 4.320 0.045 0.000 0.243 282 A C 0.908 178.482 177.584 -0.016 0.000 1.082 282 A CA 0.180 52.209 52.037 -0.014 0.000 0.786 282 A CB 0.012 19.007 19.000 -0.008 0.000 1.029 282 A HN 0.535 nan 8.150 nan 0.000 0.495 283 N N 0.357 119.046 118.700 -0.018 0.000 2.681 283 N HA -0.141 4.626 4.740 0.045 0.000 0.259 283 N C -0.415 175.084 175.510 -0.019 0.000 1.066 283 N CA 1.229 54.267 53.050 -0.019 0.000 0.717 283 N CB -1.273 37.205 38.487 -0.015 0.000 0.885 283 N HN 0.796 nan 8.380 nan 0.000 0.547 284 N N 0.175 118.864 118.700 -0.019 0.000 3.566 284 N HA 0.328 5.095 4.740 0.045 0.000 0.354 284 N C -0.409 175.091 175.510 -0.018 0.000 1.632 284 N CA -0.357 52.683 53.050 -0.017 0.000 0.690 284 N CB 0.317 38.795 38.487 -0.015 0.000 2.273 284 N HN 0.295 nan 8.380 nan 0.000 0.643 285 Q N 0.646 120.437 119.800 -0.015 0.000 2.158 285 Q HA 0.464 4.831 4.340 0.045 0.000 0.306 285 Q C -0.723 175.270 176.000 -0.012 0.000 0.878 285 Q CA -0.098 55.697 55.803 -0.014 0.000 1.136 285 Q CB 0.590 29.321 28.738 -0.013 0.000 1.253 285 Q HN 0.416 nan 8.270 nan 0.000 0.441 286 I N 1.003 121.566 120.570 -0.013 0.000 2.441 286 I HA 0.014 4.211 4.170 0.045 0.000 0.287 286 I C 1.229 177.340 176.117 -0.010 0.000 1.049 286 I CA 0.216 61.509 61.300 -0.011 0.000 1.381 286 I CB 1.285 39.278 38.000 -0.011 0.000 1.409 286 I HN 0.232 nan 8.210 nan 0.000 0.523 287 S N 3.441 119.137 115.700 -0.008 0.000 2.665 287 S HA 0.087 4.584 4.470 0.045 0.000 0.240 287 S C 0.676 175.273 174.600 -0.006 0.000 1.081 287 S CA -0.269 57.927 58.200 -0.007 0.000 0.887 287 S CB 0.009 63.206 63.200 -0.006 0.000 0.805 287 S HN 0.625 nan 8.310 nan 0.000 0.486 288 N N 1.623 120.320 118.700 -0.006 0.000 2.420 288 N HA 0.368 5.135 4.740 0.045 0.000 0.249 288 N C 0.111 175.618 175.510 -0.005 0.000 1.033 288 N CA -0.354 52.693 53.050 -0.005 0.000 0.944 288 N CB 0.569 39.054 38.487 -0.004 0.000 1.113 288 N HN 0.384 nan 8.380 nan 0.000 0.502 289 L N 2.457 123.678 121.223 -0.005 0.000 2.607 289 L HA 0.247 4.614 4.340 0.045 0.000 0.228 289 L C 2.027 178.894 176.870 -0.004 0.000 1.123 289 L CA 0.022 54.860 54.840 -0.005 0.000 0.890 289 L CB -0.168 41.888 42.059 -0.005 0.000 1.103 289 L HN 0.551 nan 8.230 nan 0.000 0.468 290 A N 1.536 124.354 122.820 -0.004 0.000 1.927 290 A HA -0.156 4.191 4.320 0.045 0.000 0.220 290 A C -0.169 177.413 177.584 -0.003 0.000 1.185 290 A CA 1.756 53.791 52.037 -0.003 0.000 0.639 290 A CB -1.629 17.369 19.000 -0.003 0.000 0.820 290 A HN 0.285 nan 8.150 nan 0.000 0.451 291 P HA -0.069 nan 4.420 nan 0.000 0.225 291 P C 1.016 178.314 177.300 -0.004 0.000 1.148 291 P CA 0.696 63.794 63.100 -0.004 0.000 0.779 291 P CB -0.083 31.615 31.700 -0.004 0.000 0.780 292 L N -1.084 120.136 121.223 -0.004 0.000 2.509 292 L HA -0.007 4.361 4.340 0.045 0.000 0.222 292 L C 2.299 179.167 176.870 -0.003 0.000 1.123 292 L CA 0.961 55.798 54.840 -0.004 0.000 0.856 292 L CB -0.840 41.217 42.059 -0.004 0.000 0.985 292 L HN 0.096 nan 8.230 nan 0.000 0.456 293 S N -0.004 115.695 115.700 -0.003 0.000 2.399 293 S HA -0.107 4.390 4.470 0.045 0.000 0.231 293 S C 1.869 176.468 174.600 -0.002 0.000 1.022 293 S CA 1.063 59.262 58.200 -0.002 0.000 0.983 293 S CB -0.632 62.566 63.200 -0.002 0.000 0.803 293 S HN 0.413 nan 8.310 nan 0.000 0.480 294 G N 0.774 109.572 108.800 -0.002 0.000 2.985 294 G HA2 0.319 4.306 3.960 0.045 0.000 0.209 294 G HA3 0.319 4.306 3.960 0.045 0.000 0.209 294 G C 0.560 175.459 174.900 -0.002 0.000 1.165 294 G CA -0.333 44.766 45.100 -0.002 0.000 0.776 294 G HN 0.527 nan 8.290 nan 0.000 0.541 295 L N 2.780 124.001 121.223 -0.003 0.000 2.583 295 L HA 0.143 4.510 4.340 0.045 0.000 0.239 295 L C 1.906 178.775 176.870 -0.002 0.000 1.347 295 L CA -0.106 54.733 54.840 -0.003 0.000 1.246 295 L CB -0.200 41.857 42.059 -0.004 0.000 1.496 295 L HN 0.179 nan 8.230 nan 0.000 0.413 296 T N -4.140 110.413 114.554 -0.002 0.000 3.118 296 T HA -0.048 4.330 4.350 0.045 0.000 0.260 296 T C 1.374 176.073 174.700 -0.001 0.000 1.139 296 T CA 0.369 62.469 62.100 -0.001 0.000 1.085 296 T CB -0.074 68.793 68.868 -0.001 0.000 0.934 296 T HN 0.384 nan 8.240 nan 0.000 0.518 297 K N 0.673 121.072 120.400 -0.002 0.000 2.444 297 K HA 0.273 4.621 4.320 0.045 0.000 0.193 297 K C 0.201 176.800 176.600 -0.003 0.000 1.024 297 K CA -0.110 56.176 56.287 -0.003 0.000 1.077 297 K CB -0.061 32.437 32.500 -0.004 0.000 0.833 297 K HN 0.420 nan 8.250 nan 0.000 0.517 298 L N 2.089 123.311 121.223 -0.002 0.000 2.477 298 L HA -0.017 4.350 4.340 0.045 0.000 0.272 298 L C 1.597 178.468 176.870 0.002 0.000 1.157 298 L CA 0.104 54.944 54.840 -0.001 0.000 0.889 298 L CB 0.705 42.765 42.059 0.000 0.000 1.158 298 L HN 0.221 nan 8.230 nan 0.000 0.473 299 T N -1.290 113.264 114.554 0.001 0.000 2.990 299 T HA 0.200 4.577 4.350 0.045 0.000 0.249 299 T C 0.488 175.193 174.700 0.008 0.000 1.039 299 T CA -0.159 61.943 62.100 0.004 0.000 1.036 299 T CB 0.355 69.222 68.868 -0.001 0.000 0.994 299 T HN 0.532 nan 8.240 nan 0.000 0.489 300 E N 0.679 120.881 120.200 0.004 0.000 2.263 300 E HA 0.611 4.989 4.350 0.045 0.000 0.268 300 E C -2.089 174.516 176.600 0.008 0.000 0.884 300 E CA -0.885 55.519 56.400 0.008 0.000 0.766 300 E CB 2.678 32.372 29.700 -0.011 0.000 1.196 300 E HN 0.144 nan 8.360 nan 0.000 0.416 301 L N 2.418 123.654 121.223 0.021 0.000 2.482 301 L HA 0.384 4.752 4.340 0.045 0.000 0.269 301 L C -1.639 175.246 176.870 0.025 0.000 0.967 301 L CA -0.357 54.492 54.840 0.016 0.000 0.851 301 L CB 1.441 43.508 42.059 0.014 0.000 1.242 301 L HN 0.354 nan 8.230 nan 0.000 0.404 302 K N 6.047 126.455 120.400 0.013 0.000 2.307 302 K HA 0.568 4.915 4.320 0.045 0.000 0.263 302 K C -0.162 176.438 176.600 0.001 0.000 0.973 302 K CA -0.323 55.973 56.287 0.015 0.000 0.846 302 K CB 1.675 34.182 32.500 0.011 0.000 1.100 302 K HN 0.646 nan 8.250 nan 0.000 0.438 303 L N 1.836 123.057 121.223 -0.004 0.000 3.298 303 L HA 0.213 4.580 4.340 0.045 0.000 0.296 303 L C 0.862 177.715 176.870 -0.029 0.000 1.237 303 L CA -0.463 54.368 54.840 -0.015 0.000 1.038 303 L CB 1.146 43.198 42.059 -0.012 0.000 1.423 303 L HN 0.725 nan 8.230 nan 0.000 0.605 304 G N 0.327 109.105 108.800 -0.037 0.000 2.484 304 G HA2 0.294 4.281 3.960 0.045 0.000 0.235 304 G HA3 0.294 4.281 3.960 0.045 0.000 0.235 304 G C 0.812 175.682 174.900 -0.050 0.000 1.282 304 G CA 0.458 45.517 45.100 -0.068 0.000 0.857 304 G HN 0.487 nan 8.290 nan 0.000 0.571 305 A N 1.309 124.092 122.820 -0.061 0.000 2.546 305 A HA -0.145 4.202 4.320 0.045 0.000 0.295 305 A C 0.585 178.147 177.584 -0.036 0.000 1.455 305 A CA 0.895 52.904 52.037 -0.046 0.000 0.730 305 A CB -1.923 17.055 19.000 -0.036 0.000 1.111 305 A HN 0.837 nan 8.150 nan 0.000 0.411 306 N N -0.898 117.782 118.700 -0.034 0.000 3.566 306 N HA 0.488 5.255 4.740 0.045 0.000 0.354 306 N C -0.253 175.243 175.510 -0.022 0.000 1.632 306 N CA -0.551 52.483 53.050 -0.026 0.000 0.690 306 N CB 0.507 38.981 38.487 -0.022 0.000 2.273 306 N HN 0.355 nan 8.380 nan 0.000 0.643 307 Q N 1.130 120.920 119.800 -0.017 0.000 2.233 307 Q HA 0.448 4.815 4.340 0.045 0.000 0.340 307 Q C -0.687 175.307 176.000 -0.009 0.000 0.899 307 Q CA -0.117 55.678 55.803 -0.012 0.000 1.139 307 Q CB 0.423 29.154 28.738 -0.011 0.000 1.273 307 Q HN 0.476 nan 8.270 nan 0.000 0.431 308 I N 1.020 121.584 120.570 -0.010 0.000 2.365 308 I HA 0.092 4.289 4.170 0.045 0.000 0.291 308 I C 1.208 177.323 176.117 -0.003 0.000 1.004 308 I CA 0.074 61.370 61.300 -0.007 0.000 1.311 308 I CB 1.395 39.389 38.000 -0.010 0.000 1.401 308 I HN 0.090 nan 8.210 nan 0.000 0.491 309 S N 2.855 118.554 115.700 -0.001 0.000 2.604 309 S HA 0.209 4.706 4.470 0.045 0.000 0.235 309 S C 0.323 174.924 174.600 0.001 0.000 1.043 309 S CA -0.345 57.856 58.200 0.002 0.000 0.997 309 S CB 0.160 63.362 63.200 0.004 0.000 0.956 309 S HN 0.631 nan 8.310 nan 0.000 0.535 310 N N 1.680 120.379 118.700 -0.001 0.000 2.504 310 N HA 0.398 5.165 4.740 0.045 0.000 0.280 310 N C -0.076 175.432 175.510 -0.004 0.000 1.052 310 N CA -0.655 52.394 53.050 -0.002 0.000 0.887 310 N CB 1.726 40.212 38.487 -0.002 0.000 1.323 310 N HN 0.472 nan 8.380 nan 0.000 0.509 311 I N 0.298 120.865 120.570 -0.004 0.000 3.976 311 I HA 0.274 4.471 4.170 0.045 0.000 0.337 311 I C 1.003 177.117 176.117 -0.005 0.000 1.359 311 I CA -0.264 61.033 61.300 -0.005 0.000 1.098 311 I CB 0.279 38.275 38.000 -0.006 0.000 1.027 311 I HN 0.104 nan 8.210 nan 0.000 0.394 312 S N 2.721 118.418 115.700 -0.004 0.000 2.380 312 S HA -0.111 4.386 4.470 0.045 0.000 0.229 312 S C -0.416 174.181 174.600 -0.004 0.000 1.043 312 S CA 1.992 60.190 58.200 -0.004 0.000 1.038 312 S CB -1.405 61.793 63.200 -0.004 0.000 0.872 312 S HN 0.465 nan 8.310 nan 0.000 0.456 313 P HA 0.024 nan 4.420 nan 0.000 0.228 313 P C 0.739 178.037 177.300 -0.003 0.000 1.151 313 P CA 0.777 63.875 63.100 -0.003 0.000 0.770 313 P CB -0.123 31.575 31.700 -0.003 0.000 0.786 314 L N -2.221 119.001 121.223 -0.003 0.000 2.567 314 L HA 0.185 4.552 4.340 0.045 0.000 0.225 314 L C 2.224 179.093 176.870 -0.001 0.000 1.119 314 L CA 0.294 55.134 54.840 -0.001 0.000 0.871 314 L CB -0.766 41.293 42.059 -0.001 0.000 1.036 314 L HN -0.068 nan 8.230 nan 0.000 0.459 315 A N 1.027 123.845 122.820 -0.003 0.000 1.948 315 A HA -0.152 4.195 4.320 0.045 0.000 0.220 315 A C 2.218 179.800 177.584 -0.002 0.000 1.177 315 A CA 1.924 53.959 52.037 -0.003 0.000 0.636 315 A CB -0.886 18.111 19.000 -0.004 0.000 0.815 315 A HN 0.431 nan 8.150 nan 0.000 0.449 316 G N -1.083 107.716 108.800 -0.002 0.000 2.985 316 G HA2 0.319 4.307 3.960 0.045 0.000 0.209 316 G HA3 0.319 4.307 3.960 0.045 0.000 0.209 316 G C 0.604 175.504 174.900 -0.000 0.000 1.165 316 G CA -0.198 44.902 45.100 -0.001 0.000 0.776 316 G HN 0.405 nan 8.290 nan 0.000 0.541 317 L N 2.723 123.946 121.223 0.001 0.000 2.583 317 L HA 0.137 4.505 4.340 0.045 0.000 0.239 317 L C 1.942 178.815 176.870 0.004 0.000 1.347 317 L CA -0.095 54.746 54.840 0.002 0.000 1.246 317 L CB -0.248 41.812 42.059 0.003 0.000 1.496 317 L HN 0.189 nan 8.230 nan 0.000 0.413 318 T N -3.883 110.672 114.554 0.003 0.000 3.118 318 T HA -0.021 4.356 4.350 0.045 0.000 0.260 318 T C 1.621 176.324 174.700 0.005 0.000 1.139 318 T CA 0.682 62.784 62.100 0.004 0.000 1.085 318 T CB 0.236 69.105 68.868 0.002 0.000 0.934 318 T HN 0.460 nan 8.240 nan 0.000 0.518 319 A N 0.850 123.673 122.820 0.005 0.000 2.238 319 A HA 0.458 4.805 4.320 0.045 0.000 0.208 319 A C 0.965 178.554 177.584 0.009 0.000 1.177 319 A CA -0.292 51.748 52.037 0.006 0.000 0.804 319 A CB -0.536 18.466 19.000 0.003 0.000 0.823 319 A HN 0.578 nan 8.150 nan 0.000 0.482 320 L N 1.099 122.330 121.223 0.013 0.000 2.534 320 L HA 0.038 4.405 4.340 0.045 0.000 0.271 320 L C 1.840 178.727 176.870 0.029 0.000 1.178 320 L CA 0.392 55.244 54.840 0.020 0.000 0.907 320 L CB 0.889 42.961 42.059 0.022 0.000 1.164 320 L HN 0.539 nan 8.230 nan 0.000 0.482 321 T N -1.023 113.552 114.554 0.035 0.000 3.023 321 T HA 0.112 4.490 4.350 0.045 0.000 0.249 321 T C 0.723 175.477 174.700 0.091 0.000 1.050 321 T CA -0.087 62.042 62.100 0.048 0.000 1.088 321 T CB 0.203 69.089 68.868 0.031 0.000 0.946 321 T HN 0.527 nan 8.240 nan 0.000 0.480 322 N N 0.917 119.673 118.700 0.093 0.000 2.296 322 N HA 0.604 5.371 4.740 0.045 0.000 0.294 322 N C -2.212 173.383 175.510 0.140 0.000 1.033 322 N CA -0.592 52.562 53.050 0.172 0.000 0.839 322 N CB 2.506 41.055 38.487 0.104 0.000 1.395 322 N HN 0.115 nan 8.380 nan 0.000 0.479 323 L N 1.805 123.130 121.223 0.171 0.000 2.476 323 L HA 0.393 4.760 4.340 0.045 0.000 0.269 323 L C -1.177 175.752 176.870 0.098 0.000 0.965 323 L CA -0.336 54.562 54.840 0.097 0.000 0.845 323 L CB 1.737 43.828 42.059 0.053 0.000 1.259 323 L HN 0.467 nan 8.230 nan 0.000 0.403 324 E N 6.006 126.253 120.200 0.078 0.000 2.165 324 E HA 0.436 4.813 4.350 0.045 0.000 0.266 324 E C -0.345 176.248 176.600 -0.012 0.000 0.889 324 E CA -0.321 56.107 56.400 0.047 0.000 0.756 324 E CB 2.096 31.845 29.700 0.082 0.000 1.131 324 E HN 0.659 nan 8.360 nan 0.000 0.411 325 L N 2.487 123.679 121.223 -0.053 0.000 3.298 325 L HA 0.101 4.468 4.340 0.045 0.000 0.296 325 L C 0.379 177.172 176.870 -0.129 0.000 1.237 325 L CA -0.346 54.454 54.840 -0.066 0.000 1.038 325 L CB 0.143 42.183 42.059 -0.033 0.000 1.423 325 L HN 0.483 nan 8.230 nan 0.000 0.605 326 N N 1.071 119.610 118.700 -0.270 0.000 2.381 326 N HA -0.090 4.677 4.740 0.045 0.000 0.241 326 N C -0.212 175.141 175.510 -0.262 0.000 1.279 326 N CA 0.113 52.861 53.050 -0.503 0.000 0.896 326 N CB 0.407 38.071 38.487 -1.371 0.000 1.118 326 N HN 0.144 nan 8.380 nan 0.000 0.438 327 E N -1.302 118.819 120.200 -0.132 0.000 2.271 327 E HA -0.207 4.171 4.350 0.045 0.000 0.223 327 E C -0.663 175.918 176.600 -0.032 0.000 1.223 327 E CA 0.434 56.822 56.400 -0.020 0.000 0.704 327 E CB -1.060 28.608 29.700 -0.053 0.000 1.194 327 E HN 0.612 nan 8.360 nan 0.000 0.375 328 N N -0.187 118.508 118.700 -0.009 0.000 3.427 328 N HA 0.287 5.054 4.740 0.045 0.000 0.364 328 N C -0.029 175.490 175.510 0.016 0.000 1.538 328 N CA -0.510 52.535 53.050 -0.007 0.000 0.662 328 N CB 0.646 39.123 38.487 -0.018 0.000 1.881 328 N HN 0.070 nan 8.380 nan 0.000 0.634 329 Q N 0.646 120.454 119.800 0.013 0.000 2.155 329 Q HA 0.429 4.796 4.340 0.045 0.000 0.273 329 Q C -0.696 175.316 176.000 0.021 0.000 0.857 329 Q CA -0.124 55.691 55.803 0.020 0.000 1.116 329 Q CB 0.506 29.251 28.738 0.012 0.000 1.209 329 Q HN 0.298 nan 8.270 nan 0.000 0.460 330 L N 0.435 121.672 121.223 0.023 0.000 2.371 330 L HA 0.196 4.563 4.340 0.045 0.000 0.272 330 L C 0.944 177.829 176.870 0.025 0.000 1.124 330 L CA 0.314 55.165 54.840 0.018 0.000 0.816 330 L CB 0.894 42.960 42.059 0.012 0.000 1.129 330 L HN 0.293 nan 8.230 nan 0.000 0.448 331 E N 0.250 120.460 120.200 0.018 0.000 2.905 331 E HA 0.006 4.383 4.350 0.045 0.000 0.197 331 E C -0.422 176.182 176.600 0.007 0.000 1.016 331 E CA -0.246 56.165 56.400 0.018 0.000 1.307 331 E CB 0.484 30.195 29.700 0.018 0.000 1.255 331 E HN 0.550 nan 8.360 nan 0.000 0.527 332 D N 1.647 122.048 120.400 0.002 0.000 2.365 332 D HA 0.075 4.742 4.640 0.045 0.000 0.237 332 D C 0.379 176.673 176.300 -0.009 0.000 1.190 332 D CA -0.162 53.835 54.000 -0.005 0.000 0.867 332 D CB 0.601 41.399 40.800 -0.004 0.000 1.050 332 D HN 0.213 nan 8.370 nan 0.000 0.491 333 I N 0.930 121.490 120.570 -0.017 0.000 3.941 333 I HA 0.125 4.322 4.170 0.045 0.000 0.335 333 I C 1.562 177.665 176.117 -0.024 0.000 1.402 333 I CA -0.359 60.928 61.300 -0.021 0.000 1.112 333 I CB 0.059 38.042 38.000 -0.028 0.000 1.043 333 I HN 0.184 nan 8.210 nan 0.000 0.395 334 S N 1.914 117.601 115.700 -0.022 0.000 2.392 334 S HA -0.064 4.433 4.470 0.045 0.000 0.232 334 S C -0.439 174.151 174.600 -0.018 0.000 1.041 334 S CA 1.164 59.351 58.200 -0.022 0.000 1.026 334 S CB -2.100 61.089 63.200 -0.018 0.000 0.845 334 S HN 0.389 nan 8.310 nan 0.000 0.465 335 P HA 0.035 nan 4.420 nan 0.000 0.228 335 P C 1.495 178.788 177.300 -0.011 0.000 1.151 335 P CA 0.793 63.887 63.100 -0.011 0.000 0.770 335 P CB -0.464 31.231 31.700 -0.008 0.000 0.786 336 I N -5.117 115.444 120.570 -0.015 0.000 2.928 336 I HA -0.032 4.165 4.170 0.045 0.000 0.266 336 I C 1.668 177.775 176.117 -0.015 0.000 1.234 336 I CA 0.882 62.174 61.300 -0.014 0.000 1.483 336 I CB -0.773 37.217 38.000 -0.018 0.000 1.097 336 I HN -0.255 nan 8.210 nan 0.000 0.455 337 S N 2.488 118.177 115.700 -0.019 0.000 2.419 337 S HA -0.169 4.328 4.470 0.045 0.000 0.235 337 S C 1.675 176.267 174.600 -0.013 0.000 1.019 337 S CA 1.880 60.069 58.200 -0.019 0.000 0.982 337 S CB -0.816 62.371 63.200 -0.021 0.000 0.789 337 S HN 0.761 nan 8.310 nan 0.000 0.490 338 N N 1.121 119.815 118.700 -0.010 0.000 2.463 338 N HA -0.009 4.759 4.740 0.045 0.000 0.181 338 N C 0.203 175.711 175.510 -0.003 0.000 1.078 338 N CA 0.280 53.326 53.050 -0.006 0.000 0.902 338 N CB -0.199 38.284 38.487 -0.006 0.000 0.970 338 N HN 0.368 nan 8.380 nan 0.000 0.451 339 L N 1.735 122.957 121.223 -0.003 0.000 2.583 339 L HA 0.215 4.582 4.340 0.045 0.000 0.239 339 L C 1.121 177.994 176.870 0.004 0.000 1.347 339 L CA -0.351 54.490 54.840 0.002 0.000 1.246 339 L CB 0.172 42.234 42.059 0.005 0.000 1.496 339 L HN -0.067 nan 8.230 nan 0.000 0.413 340 K N 0.521 120.922 120.400 0.003 0.000 2.280 340 K HA -0.079 4.268 4.320 0.045 0.000 0.202 340 K C 1.076 177.681 176.600 0.008 0.000 1.047 340 K CA 0.846 57.135 56.287 0.003 0.000 0.942 340 K CB 0.072 32.573 32.500 0.001 0.000 0.739 340 K HN 0.506 nan 8.250 nan 0.000 0.457 341 N N 0.790 119.496 118.700 0.011 0.000 2.398 341 N HA 0.014 4.781 4.740 0.045 0.000 0.188 341 N C 0.364 175.889 175.510 0.025 0.000 1.122 341 N CA 0.113 53.173 53.050 0.016 0.000 0.866 341 N CB 0.152 38.647 38.487 0.013 0.000 0.970 341 N HN 0.154 nan 8.380 nan 0.000 0.462 342 L N 1.393 122.633 121.223 0.028 0.000 2.534 342 L HA 0.001 4.368 4.340 0.045 0.000 0.271 342 L C 1.610 178.511 176.870 0.052 0.000 1.178 342 L CA 0.212 55.078 54.840 0.044 0.000 0.907 342 L CB 0.509 42.590 42.059 0.036 0.000 1.164 342 L HN 0.148 nan 8.230 nan 0.000 0.482 343 T N -0.465 114.138 114.554 0.081 0.000 2.971 343 T HA 0.078 4.455 4.350 0.045 0.000 0.252 343 T C -0.130 174.667 174.700 0.162 0.000 1.022 343 T CA -0.031 62.124 62.100 0.092 0.000 0.980 343 T CB 0.105 69.018 68.868 0.074 0.000 1.044 343 T HN 0.359 nan 8.240 nan 0.000 0.501 344 Y N 0.722 121.042 120.300 0.032 0.000 2.386 344 Y HA 0.660 5.237 4.550 0.046 0.000 0.334 344 Y C -1.971 173.986 175.900 0.094 0.000 1.002 344 Y CA -1.885 56.254 58.100 0.066 0.000 1.068 344 Y CB 1.789 40.272 38.460 0.038 0.000 1.203 344 Y HN 0.186 nan 8.280 nan 0.000 0.443 345 L N 6.287 127.307 121.223 -0.338 0.000 2.505 345 L HA 0.668 5.036 4.340 0.045 0.000 0.266 345 L C -1.126 175.656 176.870 -0.145 0.000 0.954 345 L CA -0.167 54.572 54.840 -0.168 0.000 0.852 345 L CB 2.267 44.305 42.059 -0.035 0.000 1.282 345 L HN 0.726 nan 8.230 nan 0.000 0.403 346 T N 2.357 116.873 114.554 -0.063 0.000 2.829 346 T HA 0.683 5.060 4.350 0.045 0.000 0.280 346 T C 0.191 174.920 174.700 0.047 0.000 0.999 346 T CA -0.554 61.603 62.100 0.094 0.000 0.983 346 T CB 1.306 70.235 68.868 0.102 0.000 0.968 346 T HN 0.612 nan 8.240 nan 0.000 0.446 347 L N 1.071 122.376 121.223 0.137 0.000 3.515 347 L HA 0.280 4.647 4.340 0.045 0.000 0.322 347 L C -0.183 176.753 176.870 0.110 0.000 1.225 347 L CA -0.987 53.903 54.840 0.085 0.000 1.104 347 L CB 0.104 42.243 42.059 0.133 0.000 1.506 347 L HN 0.800 nan 8.230 nan 0.000 0.624 348 Y N -1.785 118.605 120.300 0.150 0.000 2.550 348 Y HA 0.342 4.919 4.550 0.044 0.000 0.343 348 Y C 0.256 176.239 175.900 0.138 0.000 1.245 348 Y CA -1.184 56.961 58.100 0.075 0.000 1.462 348 Y CB -0.234 38.229 38.460 0.005 0.000 1.340 348 Y HN 0.039 nan 8.280 nan 0.000 0.604 349 F N 1.188 121.271 119.950 0.222 0.000 2.807 349 F HA -0.278 4.275 4.527 0.045 0.000 0.297 349 F C -0.223 175.597 175.800 0.033 0.000 1.024 349 F CA 0.635 58.699 58.000 0.105 0.000 1.008 349 F CB -1.527 37.534 39.000 0.101 0.000 1.142 349 F HN 0.758 nan 8.300 nan 0.000 0.829 350 N N -0.200 118.616 118.700 0.193 0.000 3.439 350 N HA 0.365 5.132 4.740 0.045 0.000 0.343 350 N C -0.111 175.470 175.510 0.119 0.000 1.597 350 N CA -0.694 52.432 53.050 0.126 0.000 0.733 350 N CB 0.864 39.399 38.487 0.081 0.000 1.973 350 N HN 0.116 nan 8.380 nan 0.000 0.646 351 N N 0.349 119.101 118.700 0.086 0.000 2.541 351 N HA 0.392 5.160 4.740 0.045 0.000 0.297 351 N C -1.289 174.260 175.510 0.066 0.000 1.503 351 N CA -0.096 53.001 53.050 0.078 0.000 0.919 351 N CB -0.162 38.362 38.487 0.062 0.000 1.305 351 N HN 0.388 nan 8.380 nan 0.000 0.501 352 I N 0.703 121.318 120.570 0.075 0.000 2.371 352 I HA 0.108 4.305 4.170 0.045 0.000 0.290 352 I C 1.238 177.390 176.117 0.058 0.000 1.028 352 I CA -0.163 61.170 61.300 0.054 0.000 1.345 352 I CB 1.420 39.447 38.000 0.046 0.000 1.407 352 I HN 0.243 nan 8.210 nan 0.000 0.501 353 S N 2.176 117.896 115.700 0.034 0.000 2.514 353 S HA 0.082 4.579 4.470 0.045 0.000 0.223 353 S C 0.399 174.999 174.600 -0.001 0.000 1.046 353 S CA -0.237 57.982 58.200 0.031 0.000 0.914 353 S CB 0.169 63.387 63.200 0.030 0.000 0.807 353 S HN 0.641 nan 8.310 nan 0.000 0.497 354 D N 0.896 121.284 120.400 -0.020 0.000 2.454 354 D HA 0.406 5.074 4.640 0.045 0.000 0.225 354 D C 0.181 176.429 176.300 -0.087 0.000 1.081 354 D CA -0.598 53.374 54.000 -0.047 0.000 0.864 354 D CB 0.954 41.733 40.800 -0.035 0.000 1.040 354 D HN 0.110 nan 8.370 nan 0.000 0.517 355 I N 2.792 123.277 120.570 -0.142 0.000 3.251 355 I HA -0.097 4.100 4.170 0.045 0.000 0.277 355 I C 2.057 178.059 176.117 -0.193 0.000 1.268 355 I CA 0.664 61.817 61.300 -0.245 0.000 1.449 355 I CB -0.123 37.579 38.000 -0.497 0.000 1.083 355 I HN 0.454 nan 8.210 nan 0.000 0.464 356 S N 1.133 116.755 115.700 -0.129 0.000 2.420 356 S HA -0.079 4.418 4.470 0.045 0.000 0.237 356 S C -0.359 174.191 174.600 -0.083 0.000 1.023 356 S CA 0.972 59.113 58.200 -0.098 0.000 0.991 356 S CB -2.019 61.139 63.200 -0.069 0.000 0.792 356 S HN 0.300 nan 8.310 nan 0.000 0.488 357 P HA -0.012 nan 4.420 nan 0.000 0.226 357 P C 1.603 178.863 177.300 -0.066 0.000 1.146 357 P CA 0.990 64.053 63.100 -0.061 0.000 0.773 357 P CB -0.383 31.285 31.700 -0.052 0.000 0.772 358 V N -3.071 116.787 119.914 -0.093 0.000 3.380 358 V HA -0.108 4.040 4.120 0.045 0.000 0.268 358 V C 2.117 178.172 176.094 -0.066 0.000 1.168 358 V CA 1.562 63.810 62.300 -0.086 0.000 1.156 358 V CB -1.546 30.201 31.823 -0.126 0.000 0.785 358 V HN 0.163 nan 8.190 nan 0.000 0.487 359 S N 2.579 118.241 115.700 -0.064 0.000 2.383 359 S HA -0.206 4.291 4.470 0.045 0.000 0.229 359 S C 1.954 176.534 174.600 -0.034 0.000 1.030 359 S CA 1.762 59.933 58.200 -0.049 0.000 1.002 359 S CB -1.096 62.076 63.200 -0.047 0.000 0.829 359 S HN 1.003 nan 8.310 nan 0.000 0.467 360 S N 1.357 117.039 115.700 -0.030 0.000 2.603 360 S HA 0.280 4.777 4.470 0.045 0.000 0.220 360 S C 0.838 175.428 174.600 -0.016 0.000 0.967 360 S CA -0.171 58.017 58.200 -0.021 0.000 0.920 360 S CB -0.699 62.489 63.200 -0.019 0.000 0.773 360 S HN 0.546 nan 8.310 nan 0.000 0.529 361 L N 3.339 124.551 121.223 -0.019 0.000 2.648 361 L HA 0.228 4.595 4.340 0.045 0.000 0.238 361 L C 1.563 178.430 176.870 -0.005 0.000 1.316 361 L CA -0.203 54.631 54.840 -0.011 0.000 1.241 361 L CB -0.754 41.297 42.059 -0.013 0.000 1.499 361 L HN 0.377 nan 8.230 nan 0.000 0.411 362 T N -3.918 110.633 114.554 -0.004 0.000 3.035 362 T HA -0.101 4.276 4.350 0.045 0.000 0.268 362 T C 1.496 176.200 174.700 0.007 0.000 1.109 362 T CA 0.632 62.732 62.100 -0.001 0.000 1.119 362 T CB -0.064 68.803 68.868 -0.002 0.000 0.900 362 T HN 0.385 nan 8.240 nan 0.000 0.503 363 K N 0.611 121.017 120.400 0.010 0.000 2.459 363 K HA 0.268 4.615 4.320 0.045 0.000 0.193 363 K C 0.350 176.966 176.600 0.027 0.000 1.030 363 K CA -0.146 56.152 56.287 0.018 0.000 1.026 363 K CB -0.200 32.312 32.500 0.019 0.000 0.809 363 K HN 0.398 nan 8.250 nan 0.000 0.504 364 L N 1.965 123.201 121.223 0.023 0.000 2.601 364 L HA -0.138 4.230 4.340 0.045 0.000 0.277 364 L C 1.290 178.184 176.870 0.039 0.000 1.219 364 L CA 0.547 55.405 54.840 0.030 0.000 0.915 364 L CB 0.370 42.438 42.059 0.015 0.000 1.160 364 L HN 0.245 nan 8.230 nan 0.000 0.494 365 Q N 2.904 122.738 119.800 0.056 0.000 2.402 365 Q HA 0.234 4.601 4.340 0.045 0.000 0.231 365 Q C -0.146 175.897 176.000 0.071 0.000 0.888 365 Q CA 0.302 56.145 55.803 0.067 0.000 0.938 365 Q CB 0.819 29.596 28.738 0.066 0.000 1.086 365 Q HN 0.542 nan 8.270 nan 0.000 0.543 366 R N 0.652 121.184 120.500 0.054 0.000 2.574 366 R HA 0.536 4.904 4.340 0.045 0.000 0.288 366 R C -1.826 174.407 176.300 -0.112 0.000 1.004 366 R CA -0.687 55.402 56.100 -0.019 0.000 0.895 366 R CB 2.116 32.479 30.300 0.105 0.000 1.191 366 R HN -0.081 nan 8.270 nan 0.000 0.444 367 L N 3.510 124.591 121.223 -0.237 0.000 2.439 367 L HA 0.556 4.924 4.340 0.045 0.000 0.270 367 L C -1.872 174.881 176.870 -0.196 0.000 0.972 367 L CA -0.375 54.410 54.840 -0.093 0.000 0.836 367 L CB 1.424 43.511 42.059 0.046 0.000 1.255 367 L HN 0.489 nan 8.230 nan 0.000 0.404 368 F N 6.671 126.702 119.950 0.134 0.000 2.445 368 F HA 0.487 5.043 4.527 0.047 0.000 0.348 368 F C -0.054 175.935 175.800 0.316 0.000 1.125 368 F CA -0.474 57.623 58.000 0.161 0.000 0.983 368 F CB 1.213 40.304 39.000 0.152 0.000 1.198 368 F HN 0.461 nan 8.300 nan 0.000 0.436 369 F N 0.147 120.225 119.950 0.212 0.000 2.777 369 F HA 0.410 4.964 4.527 0.045 0.000 0.361 369 F C 0.142 176.012 175.800 0.117 0.000 1.254 369 F CA -1.107 56.993 58.000 0.166 0.000 1.181 369 F CB -0.771 38.279 39.000 0.083 0.000 1.082 369 F HN 0.189 nan 8.300 nan 0.000 0.510 370 S N 0.255 115.903 115.700 -0.086 0.000 2.576 370 S HA 0.185 4.682 4.470 0.045 0.000 0.272 370 S C 0.305 174.820 174.600 -0.141 0.000 1.352 370 S CA 0.154 58.256 58.200 -0.162 0.000 1.021 370 S CB -0.007 63.090 63.200 -0.171 0.000 0.887 370 S HN 0.594 nan 8.310 nan 0.000 0.542 371 N N 1.127 119.746 118.700 -0.134 0.000 2.726 371 N HA -0.137 4.630 4.740 0.045 0.000 0.253 371 N C -0.809 174.703 175.510 0.004 0.000 1.059 371 N CA 0.863 53.805 53.050 -0.180 0.000 0.701 371 N CB -1.467 36.549 38.487 -0.786 0.000 0.899 371 N HN 0.675 nan 8.380 nan 0.000 0.548 372 N N -0.054 118.706 118.700 0.100 0.000 3.439 372 N HA 0.384 5.151 4.740 0.045 0.000 0.343 372 N C -0.242 175.359 175.510 0.152 0.000 1.597 372 N CA -0.618 52.522 53.050 0.151 0.000 0.733 372 N CB 0.839 39.459 38.487 0.222 0.000 1.973 372 N HN 0.081 nan 8.380 nan 0.000 0.646 373 K N 0.763 121.250 120.400 0.145 0.000 2.758 373 K HA 0.335 4.683 4.320 0.045 0.000 0.208 373 K C -0.723 175.950 176.600 0.122 0.000 1.091 373 K CA -0.116 56.249 56.287 0.129 0.000 1.059 373 K CB 0.870 33.431 32.500 0.101 0.000 0.801 373 K HN 0.143 nan 8.250 nan 0.000 0.470 374 V N 1.967 121.979 119.914 0.165 0.000 2.488 374 V HA -0.011 4.137 4.120 0.045 0.000 0.277 374 V C 1.272 177.434 176.094 0.113 0.000 1.046 374 V CA 0.219 62.605 62.300 0.144 0.000 0.986 374 V CB 1.194 33.161 31.823 0.239 0.000 0.989 374 V HN 0.440 nan 8.190 nan 0.000 0.475 375 S N 2.169 117.888 115.700 0.032 0.000 2.691 375 S HA 0.099 4.596 4.470 0.045 0.000 0.241 375 S C 0.599 175.166 174.600 -0.055 0.000 1.077 375 S CA -0.039 58.133 58.200 -0.046 0.000 0.900 375 S CB 0.080 63.211 63.200 -0.116 0.000 0.805 375 S HN 0.661 nan 8.310 nan 0.000 0.529 376 D N 2.702 123.075 120.400 -0.045 0.000 2.339 376 D HA 0.306 4.973 4.640 0.045 0.000 0.241 376 D C 0.656 176.931 176.300 -0.041 0.000 1.183 376 D CA -0.172 53.797 54.000 -0.051 0.000 0.859 376 D CB 1.547 42.316 40.800 -0.053 0.000 1.067 376 D HN 0.267 nan 8.370 nan 0.000 0.484 377 V N 1.355 121.250 119.914 -0.032 0.000 3.271 377 V HA 0.172 4.319 4.120 0.045 0.000 0.327 377 V C 1.518 177.588 176.094 -0.040 0.000 1.389 377 V CA -0.162 62.125 62.300 -0.023 0.000 1.156 377 V CB -0.037 31.811 31.823 0.041 0.000 1.103 377 V HN 0.318 nan 8.190 nan 0.000 0.453 378 S N 2.498 118.170 115.700 -0.047 0.000 2.387 378 S HA -0.218 4.279 4.470 0.045 0.000 0.230 378 S C 2.206 176.780 174.600 -0.044 0.000 1.035 378 S CA 2.133 60.307 58.200 -0.044 0.000 1.014 378 S CB -0.398 62.778 63.200 -0.041 0.000 0.836 378 S HN 1.020 nan 8.310 nan 0.000 0.466 379 S N 1.995 117.662 115.700 -0.055 0.000 2.442 379 S HA 0.046 4.543 4.470 0.045 0.000 0.236 379 S C 1.662 176.229 174.600 -0.056 0.000 1.007 379 S CA 0.654 58.818 58.200 -0.059 0.000 0.965 379 S CB -0.711 62.443 63.200 -0.077 0.000 0.773 379 S HN 0.481 nan 8.310 nan 0.000 0.504 380 L N 1.049 122.239 121.223 -0.055 0.000 2.362 380 L HA 0.052 4.419 4.340 0.045 0.000 0.219 380 L C 3.006 179.862 176.870 -0.023 0.000 1.134 380 L CA 0.760 55.578 54.840 -0.036 0.000 0.807 380 L CB -0.936 41.118 42.059 -0.008 0.000 0.927 380 L HN 0.452 nan 8.230 nan 0.000 0.447 381 A N 0.563 123.367 122.820 -0.027 0.000 2.024 381 A HA -0.199 4.148 4.320 0.045 0.000 0.220 381 A C 1.981 179.554 177.584 -0.019 0.000 1.164 381 A CA 1.562 53.585 52.037 -0.023 0.000 0.643 381 A CB -0.467 18.518 19.000 -0.025 0.000 0.806 381 A HN 0.489 nan 8.150 nan 0.000 0.451 382 N N -0.133 118.554 118.700 -0.022 0.000 2.457 382 N HA 0.005 4.772 4.740 0.045 0.000 0.180 382 N C 0.235 175.737 175.510 -0.013 0.000 1.050 382 N CA 0.539 53.578 53.050 -0.018 0.000 0.906 382 N CB -0.095 38.378 38.487 -0.023 0.000 0.968 382 N HN 0.462 nan 8.380 nan 0.000 0.445 383 L N 2.142 123.358 121.223 -0.012 0.000 2.536 383 L HA 0.148 4.516 4.340 0.045 0.000 0.242 383 L C 1.557 178.428 176.870 0.003 0.000 1.280 383 L CA -0.229 54.609 54.840 -0.004 0.000 1.221 383 L CB -0.201 41.856 42.059 -0.004 0.000 1.449 383 L HN 0.058 nan 8.230 nan 0.000 0.405 384 T N -3.742 110.814 114.554 0.003 0.000 3.035 384 T HA -0.158 4.220 4.350 0.045 0.000 0.268 384 T C 1.246 175.954 174.700 0.013 0.000 1.109 384 T CA 0.850 62.953 62.100 0.005 0.000 1.119 384 T CB -0.119 68.750 68.868 0.002 0.000 0.900 384 T HN 0.509 nan 8.240 nan 0.000 0.503 385 N N 0.047 118.758 118.700 0.018 0.000 2.276 385 N HA 0.187 4.955 4.740 0.045 0.000 0.212 385 N C -0.372 175.163 175.510 0.041 0.000 1.127 385 N CA -0.390 52.678 53.050 0.028 0.000 0.834 385 N CB -0.005 38.499 38.487 0.028 0.000 1.014 385 N HN 0.336 nan 8.380 nan 0.000 0.491 386 I N 1.043 121.635 120.570 0.036 0.000 2.618 386 I HA -0.052 4.145 4.170 0.045 0.000 0.284 386 I C 1.050 177.212 176.117 0.075 0.000 1.146 386 I CA 0.232 61.562 61.300 0.049 0.000 1.425 386 I CB 0.747 38.766 38.000 0.031 0.000 1.383 386 I HN 0.067 nan 8.210 nan 0.000 0.562 387 N N 5.316 124.099 118.700 0.137 0.000 2.606 387 N HA 0.072 4.839 4.740 0.045 0.000 0.208 387 N C -0.893 174.805 175.510 0.313 0.000 1.046 387 N CA 0.489 53.679 53.050 0.233 0.000 0.891 387 N CB 0.262 38.941 38.487 0.320 0.000 1.344 387 N HN 0.465 nan 8.380 nan 0.000 0.437 388 W N 1.474 122.722 121.300 -0.087 0.000 2.471 388 W HA 0.548 5.234 4.660 0.043 0.000 0.318 388 W C -0.832 175.499 176.519 -0.312 0.000 1.034 388 W CA -0.719 56.514 57.345 -0.187 0.000 1.224 388 W CB 0.669 30.006 29.460 -0.205 0.000 1.335 388 W HN -0.132 nan 8.180 nan 0.000 0.452 389 L N 3.729 124.890 121.223 -0.103 0.000 2.415 389 L HA 0.574 4.942 4.340 0.045 0.000 0.268 389 L C -0.500 176.235 176.870 -0.226 0.000 0.984 389 L CA -0.261 54.489 54.840 -0.151 0.000 0.853 389 L CB 1.588 43.613 42.059 -0.057 0.000 1.215 389 L HN 0.233 nan 8.230 nan 0.000 0.419 390 S N 3.851 119.352 115.700 -0.332 0.000 2.520 390 S HA 0.803 5.300 4.470 0.045 0.000 0.324 390 S C 0.309 174.632 174.600 -0.461 0.000 1.069 390 S CA 0.216 58.249 58.200 -0.279 0.000 1.121 390 S CB 1.010 64.135 63.200 -0.124 0.000 0.971 390 S HN 0.864 nan 8.310 nan 0.000 0.463 391 A N 3.852 126.373 122.820 -0.499 0.000 2.605 391 A HA 0.609 4.956 4.320 0.045 0.000 0.292 391 A C 0.840 178.200 177.584 -0.373 0.000 1.055 391 A CA -0.096 51.463 52.037 -0.797 0.000 0.969 391 A CB -0.243 18.327 19.000 -0.717 0.000 1.236 391 A HN 0.897 nan 8.150 nan 0.000 0.534 392 G N -1.046 107.621 108.800 -0.222 0.000 2.636 392 G HA2 0.379 4.366 3.960 0.045 0.000 0.246 392 G HA3 0.379 4.366 3.960 0.045 0.000 0.246 392 G C 0.379 175.251 174.900 -0.045 0.000 1.216 392 G CA 0.102 45.125 45.100 -0.129 0.000 0.854 392 G HN 0.589 nan 8.290 nan 0.000 0.572 393 H N -0.393 118.646 119.070 -0.051 0.000 2.692 393 H HA -0.131 4.453 4.556 0.045 0.000 0.316 393 H C 0.580 175.910 175.328 0.005 0.000 1.176 393 H CA 1.153 57.181 56.048 -0.033 0.000 1.142 393 H CB -1.218 28.493 29.762 -0.086 0.000 1.475 393 H HN 0.542 nan 8.280 nan 0.000 0.423 394 N N 0.121 118.894 118.700 0.121 0.000 3.223 394 N HA 0.231 4.998 4.740 0.045 0.000 0.350 394 N C 0.675 176.323 175.510 0.230 0.000 1.425 394 N CA -0.495 52.654 53.050 0.165 0.000 0.668 394 N CB 0.751 39.337 38.487 0.164 0.000 1.435 394 N HN 0.271 nan 8.380 nan 0.000 0.569 395 Q N 0.684 120.626 119.800 0.235 0.000 2.129 395 Q HA 0.422 4.789 4.340 0.045 0.000 0.274 395 Q C -0.691 175.359 176.000 0.084 0.000 0.854 395 Q CA -0.094 55.879 55.803 0.283 0.000 1.123 395 Q CB 0.714 29.566 28.738 0.191 0.000 1.226 395 Q HN 0.427 nan 8.270 nan 0.000 0.454 396 I N 1.609 122.298 120.570 0.198 0.000 2.452 396 I HA -0.013 4.184 4.170 0.045 0.000 0.287 396 I C 1.231 177.447 176.117 0.166 0.000 1.079 396 I CA 0.266 61.636 61.300 0.117 0.000 1.387 396 I CB 1.109 39.213 38.000 0.174 0.000 1.404 396 I HN 0.183 nan 8.210 nan 0.000 0.522 397 S N 2.271 117.852 115.700 -0.198 0.000 2.526 397 S HA 0.130 4.627 4.470 0.045 0.000 0.220 397 S C 0.156 174.823 174.600 0.112 0.000 1.017 397 S CA -0.316 57.788 58.200 -0.161 0.000 0.930 397 S CB 0.259 63.021 63.200 -0.731 0.000 0.856 397 S HN 0.677 nan 8.310 nan 0.000 0.497 398 D N 0.710 121.105 120.400 -0.007 0.000 2.575 398 D HA 0.351 5.018 4.640 0.045 0.000 0.250 398 D C 0.317 176.533 176.300 -0.139 0.000 1.279 398 D CA -0.502 53.469 54.000 -0.049 0.000 0.925 398 D CB 1.137 41.901 40.800 -0.061 0.000 1.261 398 D HN 0.133 nan 8.370 nan 0.000 0.567 399 L N 2.608 123.703 121.223 -0.213 0.000 2.591 399 L HA 0.033 4.400 4.340 0.045 0.000 0.228 399 L C 2.257 179.042 176.870 -0.142 0.000 1.133 399 L CA 0.702 55.381 54.840 -0.268 0.000 0.880 399 L CB -0.390 41.423 42.059 -0.409 0.000 1.033 399 L HN 0.498 nan 8.230 nan 0.000 0.450 400 T N -1.913 112.586 114.554 -0.092 0.000 2.759 400 T HA -0.103 4.274 4.350 0.045 0.000 0.269 400 T C -0.420 174.247 174.700 -0.055 0.000 1.042 400 T CA 0.786 62.850 62.100 -0.060 0.000 1.140 400 T CB -1.569 67.276 68.868 -0.039 0.000 0.864 400 T HN 0.181 nan 8.240 nan 0.000 0.455 401 P HA 0.147 nan 4.420 nan 0.000 0.228 401 P C 1.153 178.426 177.300 -0.044 0.000 1.151 401 P CA 0.648 63.720 63.100 -0.046 0.000 0.770 401 P CB -0.267 31.406 31.700 -0.045 0.000 0.786 402 L N -2.079 119.109 121.223 -0.058 0.000 2.567 402 L HA 0.220 4.588 4.340 0.045 0.000 0.225 402 L C 2.230 179.070 176.870 -0.049 0.000 1.119 402 L CA 0.256 55.063 54.840 -0.054 0.000 0.871 402 L CB -0.749 41.264 42.059 -0.076 0.000 1.036 402 L HN -0.090 nan 8.230 nan 0.000 0.459 403 A N 1.238 124.030 122.820 -0.047 0.000 1.948 403 A HA -0.237 4.110 4.320 0.045 0.000 0.220 403 A C 1.773 179.340 177.584 -0.028 0.000 1.177 403 A CA 2.082 54.096 52.037 -0.038 0.000 0.636 403 A CB -0.657 18.324 19.000 -0.032 0.000 0.815 403 A HN 0.579 nan 8.150 nan 0.000 0.449 404 N N -0.656 118.030 118.700 -0.024 0.000 2.336 404 N HA 0.235 5.002 4.740 0.045 0.000 0.189 404 N C -0.424 175.077 175.510 -0.015 0.000 1.113 404 N CA -0.208 52.832 53.050 -0.017 0.000 0.858 404 N CB 0.136 38.614 38.487 -0.015 0.000 0.970 404 N HN 0.364 nan 8.380 nan 0.000 0.471 405 L N 1.787 122.999 121.223 -0.018 0.000 2.391 405 L HA 0.121 4.488 4.340 0.045 0.000 0.249 405 L C 1.065 177.927 176.870 -0.013 0.000 1.308 405 L CA -0.092 54.740 54.840 -0.013 0.000 1.209 405 L CB -0.487 41.564 42.059 -0.015 0.000 1.401 405 L HN 0.219 nan 8.230 nan 0.000 0.416 406 T N -3.720 110.829 114.554 -0.008 0.000 3.169 406 T HA 0.061 4.439 4.350 0.045 0.000 0.250 406 T C 1.501 176.201 174.700 -0.000 0.000 1.111 406 T CA -0.031 62.064 62.100 -0.008 0.000 1.010 406 T CB -0.062 68.802 68.868 -0.007 0.000 0.984 406 T HN 0.401 nan 8.240 nan 0.000 0.537 407 R N 0.340 120.844 120.500 0.008 0.000 2.317 407 R HA 0.362 4.729 4.340 0.045 0.000 0.208 407 R C 0.244 176.560 176.300 0.026 0.000 0.914 407 R CA -0.145 55.968 56.100 0.021 0.000 1.060 407 R CB -0.081 30.238 30.300 0.032 0.000 1.015 407 R HN 0.445 nan 8.270 nan 0.000 0.498 408 I N 1.778 122.351 120.570 0.005 0.000 2.668 408 I HA -0.112 4.085 4.170 0.045 0.000 0.285 408 I C 1.566 177.657 176.117 -0.042 0.000 1.168 408 I CA 0.779 62.071 61.300 -0.014 0.000 1.424 408 I CB 1.178 39.155 38.000 -0.039 0.000 1.377 408 I HN 0.177 nan 8.210 nan 0.000 0.560 409 T N 1.686 116.193 114.554 -0.078 0.000 2.958 409 T HA 0.211 4.588 4.350 0.045 0.000 0.256 409 T C 0.485 174.995 174.700 -0.318 0.000 0.983 409 T CA -0.218 61.797 62.100 -0.140 0.000 0.924 409 T CB 0.585 69.413 68.868 -0.068 0.000 1.136 409 T HN 0.451 nan 8.240 nan 0.000 0.506 410 Q N 0.794 120.323 119.800 -0.451 0.000 2.285 410 Q HA 0.720 5.087 4.340 0.045 0.000 0.269 410 Q C -1.896 173.904 176.000 -0.333 0.000 1.030 410 Q CA -0.602 54.852 55.803 -0.583 0.000 0.788 410 Q CB 2.808 30.778 28.738 -1.281 0.000 1.266 410 Q HN 0.348 nan 8.270 nan 0.000 0.438 411 L N 0.536 121.613 121.223 -0.242 0.000 2.455 411 L HA 0.855 5.222 4.340 0.045 0.000 0.264 411 L C -0.906 175.884 176.870 -0.134 0.000 0.968 411 L CA -0.119 54.624 54.840 -0.162 0.000 0.827 411 L CB 2.458 44.443 42.059 -0.124 0.000 1.317 411 L HN 0.614 nan 8.230 nan 0.000 0.407 412 G N 4.586 113.310 108.800 -0.126 0.000 2.760 412 G HA2 0.562 4.549 3.960 0.045 0.000 0.285 412 G HA3 0.562 4.549 3.960 0.045 0.000 0.285 412 G C -0.650 174.189 174.900 -0.102 0.000 1.496 412 G CA -0.234 44.805 45.100 -0.102 0.000 1.026 412 G HN 0.590 nan 8.290 nan 0.000 0.536 413 L N 2.253 123.454 121.223 -0.037 0.000 3.298 413 L HA 0.212 4.579 4.340 0.045 0.000 0.296 413 L C 0.484 177.431 176.870 0.129 0.000 1.237 413 L CA -0.666 54.205 54.840 0.052 0.000 1.038 413 L CB 0.190 42.296 42.059 0.078 0.000 1.423 413 L HN 0.582 nan 8.230 nan 0.000 0.605 414 N N -0.221 118.468 118.700 -0.017 0.000 2.482 414 N HA -0.013 4.755 4.740 0.045 0.000 0.260 414 N C -0.346 174.996 175.510 -0.279 0.000 1.236 414 N CA 0.041 53.020 53.050 -0.118 0.000 0.938 414 N CB 0.777 39.182 38.487 -0.137 0.000 1.128 414 N HN 0.028 nan 8.380 nan 0.000 0.448 415 D N -0.558 119.635 120.400 -0.345 0.000 2.716 415 D HA -0.126 4.541 4.640 0.045 0.000 0.239 415 D C -0.462 175.645 176.300 -0.322 0.000 1.125 415 D CA 0.728 54.459 54.000 -0.449 0.000 0.681 415 D CB -0.619 39.728 40.800 -0.754 0.000 1.070 415 D HN 0.592 nan 8.370 nan 0.000 0.432 416 Q N -0.291 119.418 119.800 -0.152 0.000 2.454 416 Q HA 0.591 4.958 4.340 0.045 0.000 0.247 416 Q C 0.398 176.413 176.000 0.025 0.000 1.028 416 Q CA 0.196 56.056 55.803 0.095 0.000 0.910 416 Q CB 1.269 30.277 28.738 0.450 0.000 1.276 416 Q HN 0.442 nan 8.270 nan 0.000 0.489 417 A N 1.415 124.340 122.820 0.175 0.000 2.513 417 A HA 0.670 5.017 4.320 0.045 0.000 0.296 417 A C -1.851 175.887 177.584 0.256 0.000 1.052 417 A CA -0.797 51.264 52.037 0.041 0.000 0.714 417 A CB 0.872 19.864 19.000 -0.014 0.000 1.279 417 A HN 0.732 nan 8.150 nan 0.000 0.397 418 W N 0.336 121.643 121.300 0.011 0.000 3.074 418 W HA 0.783 5.470 4.660 0.045 0.000 0.332 418 W C -1.225 175.296 176.519 0.004 0.000 1.253 418 W CA -0.751 56.608 57.345 0.024 0.000 1.180 418 W CB 0.870 30.361 29.460 0.051 0.000 1.445 418 W HN 0.526 nan 8.180 nan 0.000 0.573 419 T N 3.374 118.082 114.554 0.256 0.000 2.786 419 T HA 0.286 4.663 4.350 0.045 0.000 0.283 419 T C -0.330 174.526 174.700 0.261 0.000 0.992 419 T CA -0.591 61.592 62.100 0.138 0.000 0.954 419 T CB 0.474 69.393 68.868 0.086 0.000 0.934 419 T HN 0.365 nan 8.240 nan 0.000 0.440 420 N N 1.754 120.596 118.700 0.237 0.000 2.399 420 N HA 0.425 5.192 4.740 0.045 0.000 0.250 420 N C 0.259 175.861 175.510 0.152 0.000 1.272 420 N CA -0.380 52.819 53.050 0.250 0.000 0.928 420 N CB 0.423 39.056 38.487 0.243 0.000 1.158 420 N HN 0.797 nan 8.380 nan 0.000 0.463 421 A N 1.552 124.452 122.820 0.134 0.000 2.511 421 A HA 0.275 4.622 4.320 0.045 0.000 0.242 421 A C -1.988 175.649 177.584 0.087 0.000 1.069 421 A CA -0.708 51.386 52.037 0.095 0.000 0.763 421 A CB -0.598 18.452 19.000 0.082 0.000 1.001 421 A HN 0.439 nan 8.150 nan 0.000 0.498 422 P HA 0.281 nan 4.420 nan 0.000 0.269 422 P C -0.339 177.002 177.300 0.069 0.000 1.215 422 P CA -0.034 63.104 63.100 0.063 0.000 0.780 422 P CB 0.679 32.415 31.700 0.060 0.000 0.898 423 V N -0.618 119.337 119.914 0.068 0.000 2.960 423 V HA 0.488 4.635 4.120 0.045 0.000 0.315 423 V C -0.203 175.938 176.094 0.078 0.000 1.087 423 V CA -1.234 61.109 62.300 0.071 0.000 0.982 423 V CB 1.709 33.579 31.823 0.079 0.000 1.039 423 V HN 0.346 nan 8.190 nan 0.000 0.437 424 N N 1.582 120.326 118.700 0.073 0.000 2.454 424 N HA 0.170 4.937 4.740 0.045 0.000 0.260 424 N C -0.838 174.728 175.510 0.093 0.000 1.218 424 N CA -0.106 52.997 53.050 0.087 0.000 0.904 424 N CB 0.286 38.805 38.487 0.053 0.000 1.065 424 N HN 0.853 nan 8.380 nan 0.000 0.462 425 Y N 3.389 123.735 120.300 0.078 0.000 2.526 425 Y HA 0.114 4.691 4.550 0.045 0.000 0.330 425 Y C -0.197 175.752 175.900 0.082 0.000 1.156 425 Y CA 0.379 58.532 58.100 0.087 0.000 1.419 425 Y CB 0.371 38.950 38.460 0.199 0.000 1.250 425 Y HN 0.373 nan 8.280 nan 0.000 0.540 426 K N 3.725 123.573 120.400 -0.920 0.000 2.466 426 K HA 0.619 4.966 4.320 0.045 0.000 0.260 426 K C 0.417 176.528 176.600 -0.814 0.000 1.011 426 K CA -0.453 55.399 56.287 -0.725 0.000 0.871 426 K CB 1.948 34.286 32.500 -0.270 0.000 1.404 426 K HN 0.616 nan 8.250 nan 0.000 0.450 427 A N 1.063 123.644 122.820 -0.399 0.000 1.940 427 A HA -0.112 4.235 4.320 0.045 0.000 0.219 427 A C 0.354 177.892 177.584 -0.076 0.000 1.176 427 A CA 1.403 53.345 52.037 -0.159 0.000 0.631 427 A CB -0.249 18.721 19.000 -0.050 0.000 0.814 427 A HN 0.626 nan 8.150 nan 0.000 0.446 428 N N -0.537 118.116 118.700 -0.077 0.000 2.480 428 N HA 0.432 5.199 4.740 0.045 0.000 0.289 428 N C -1.752 173.766 175.510 0.013 0.000 1.073 428 N CA -0.213 52.841 53.050 0.007 0.000 0.885 428 N CB 2.325 40.821 38.487 0.015 0.000 1.421 428 N HN -0.043 nan 8.380 nan 0.000 0.503 429 V N 1.112 121.089 119.914 0.105 0.000 2.435 429 V HA 0.436 4.584 4.120 0.045 0.000 0.290 429 V C 0.128 176.389 176.094 0.278 0.000 1.030 429 V CA -0.426 61.968 62.300 0.157 0.000 0.881 429 V CB 1.691 33.601 31.823 0.145 0.000 0.983 429 V HN 0.605 nan 8.190 nan 0.000 0.445 430 S N 5.459 121.274 115.700 0.192 0.000 2.502 430 S HA 0.823 5.320 4.470 0.045 0.000 0.304 430 S C -0.787 173.925 174.600 0.187 0.000 1.097 430 S CA -0.619 57.679 58.200 0.162 0.000 1.045 430 S CB 0.990 64.226 63.200 0.060 0.000 1.019 430 S HN 0.712 nan 8.310 nan 0.000 0.481 431 I N 1.506 122.206 120.570 0.216 0.000 2.730 431 I HA 0.730 4.927 4.170 0.045 0.000 0.298 431 I C -3.017 173.174 176.117 0.124 0.000 1.089 431 I CA -3.073 58.349 61.300 0.203 0.000 1.041 431 I CB 2.280 40.471 38.000 0.319 0.000 1.235 431 I HN 0.322 nan 8.210 nan 0.000 0.423 432 P HA 0.141 nan 4.420 nan 0.000 0.275 432 P C -0.975 176.397 177.300 0.119 0.000 1.227 432 P CA -0.154 63.003 63.100 0.095 0.000 0.781 432 P CB 0.461 32.215 31.700 0.089 0.000 0.906 433 N N 1.615 120.371 118.700 0.094 0.000 2.483 433 N HA 0.055 4.822 4.740 0.045 0.000 0.264 433 N C 0.534 176.125 175.510 0.135 0.000 1.197 433 N CA 0.375 53.464 53.050 0.064 0.000 0.927 433 N CB 0.104 38.621 38.487 0.051 0.000 1.065 433 N HN 0.360 nan 8.380 nan 0.000 0.461 434 T N -0.849 113.834 114.554 0.215 0.000 3.084 434 T HA 0.181 4.559 4.350 0.045 0.000 0.270 434 T C 0.145 174.926 174.700 0.135 0.000 1.008 434 T CA -0.379 61.828 62.100 0.179 0.000 0.900 434 T CB -0.358 68.642 68.868 0.220 0.000 1.084 434 T HN 0.112 nan 8.240 nan 0.000 0.538 435 V N 2.743 122.714 119.914 0.096 0.000 2.405 435 V HA 0.345 4.492 4.120 0.045 0.000 0.264 435 V C 0.038 176.124 176.094 -0.014 0.000 1.048 435 V CA -0.339 61.915 62.300 -0.076 0.000 0.966 435 V CB 0.137 31.636 31.823 -0.540 0.000 1.015 435 V HN 0.359 nan 8.190 nan 0.000 0.477 436 K N 3.801 124.249 120.400 0.081 0.000 2.323 436 K HA 0.404 4.751 4.320 0.045 0.000 0.259 436 K C -0.248 176.428 176.600 0.126 0.000 0.947 436 K CA -0.860 55.475 56.287 0.080 0.000 0.819 436 K CB 1.761 34.283 32.500 0.037 0.000 1.109 436 K HN 0.516 nan 8.250 nan 0.000 0.429 437 N N 0.862 119.626 118.700 0.108 0.000 2.317 437 N HA -0.018 4.749 4.740 0.045 0.000 0.245 437 N C 1.071 176.579 175.510 -0.003 0.000 1.294 437 N CA -0.183 52.917 53.050 0.083 0.000 0.924 437 N CB 1.042 39.585 38.487 0.094 0.000 1.186 437 N HN 0.315 nan 8.380 nan 0.000 0.495 438 V N 0.726 120.619 119.914 -0.035 0.000 2.568 438 V HA -0.217 3.930 4.120 0.045 0.000 0.253 438 V C 1.972 178.050 176.094 -0.026 0.000 1.072 438 V CA 2.687 64.955 62.300 -0.053 0.000 1.084 438 V CB -0.966 30.821 31.823 -0.060 0.000 0.676 438 V HN 0.944 nan 8.190 nan 0.000 0.469 439 T N -3.168 111.382 114.554 -0.007 0.000 3.085 439 T HA 0.207 4.584 4.350 0.045 0.000 0.263 439 T C 1.615 176.316 174.700 0.001 0.000 1.127 439 T CA 1.096 63.195 62.100 -0.000 0.000 1.103 439 T CB 0.301 69.175 68.868 0.010 0.000 0.921 439 T HN 1.178 nan 8.240 nan 0.000 0.510 440 G N 1.086 109.887 108.800 0.002 0.000 2.217 440 G HA2 -0.047 3.940 3.960 0.045 0.000 0.246 440 G HA3 -0.047 3.940 3.960 0.045 0.000 0.246 440 G C 0.304 175.215 174.900 0.018 0.000 0.990 440 G CA -0.118 44.985 45.100 0.005 0.000 0.627 440 G HN 1.182 nan 8.290 nan 0.000 0.522 441 A N 0.595 123.431 122.820 0.025 0.000 2.388 441 A HA 0.716 5.064 4.320 0.045 0.000 0.257 441 A C 0.756 178.368 177.584 0.046 0.000 1.095 441 A CA -0.231 51.826 52.037 0.035 0.000 0.791 441 A CB 0.346 19.367 19.000 0.035 0.000 1.029 441 A HN 0.876 nan 8.150 nan 0.000 0.489 442 L N 2.086 123.341 121.223 0.054 0.000 2.453 442 L HA 0.135 4.502 4.340 0.045 0.000 0.272 442 L C -0.099 176.799 176.870 0.047 0.000 1.182 442 L CA 0.290 55.165 54.840 0.059 0.000 0.858 442 L CB 0.275 42.394 42.059 0.100 0.000 1.120 442 L HN 0.531 nan 8.230 nan 0.000 0.474 443 I N 3.057 123.624 120.570 -0.005 0.000 2.315 443 I HA 0.260 4.457 4.170 0.045 0.000 0.291 443 I C 0.660 176.697 176.117 -0.134 0.000 1.006 443 I CA -0.330 60.953 61.300 -0.029 0.000 1.265 443 I CB 1.478 39.458 38.000 -0.032 0.000 1.387 443 I HN 0.672 nan 8.210 nan 0.000 0.475 444 A N 8.646 131.383 122.820 -0.138 0.000 2.498 444 A HA 0.366 4.713 4.320 0.045 0.000 0.239 444 A C -2.281 175.098 177.584 -0.343 0.000 1.068 444 A CA -0.919 50.877 52.037 -0.402 0.000 0.766 444 A CB -0.562 18.362 19.000 -0.128 0.000 1.003 444 A HN 0.433 nan 8.150 nan 0.000 0.497 445 P HA 0.168 nan 4.420 nan 0.000 0.267 445 P C 0.656 177.910 177.300 -0.077 0.000 1.200 445 P CA 0.681 63.676 63.100 -0.174 0.000 0.772 445 P CB 0.835 32.373 31.700 -0.269 0.000 0.855 446 A N 2.392 125.219 122.820 0.012 0.000 1.903 446 A HA 0.113 4.460 4.320 0.045 0.000 0.213 446 A C 0.891 178.469 177.584 -0.010 0.000 1.185 446 A CA 1.829 53.861 52.037 -0.008 0.000 0.628 446 A CB -0.728 18.258 19.000 -0.023 0.000 0.830 446 A HN 0.618 nan 8.150 nan 0.000 0.446 447 T N -2.808 111.753 114.554 0.011 0.000 2.900 447 T HA 0.696 5.073 4.350 0.045 0.000 0.303 447 T C -0.981 173.762 174.700 0.072 0.000 1.142 447 T CA -0.583 61.530 62.100 0.021 0.000 1.007 447 T CB 1.454 70.328 68.868 0.010 0.000 1.156 447 T HN 0.205 nan 8.240 nan 0.000 0.490 448 I N 2.503 123.114 120.570 0.069 0.000 2.534 448 I HA 0.409 4.606 4.170 0.045 0.000 0.288 448 I C 0.673 176.905 176.117 0.191 0.000 1.077 448 I CA -0.981 60.396 61.300 0.129 0.000 1.051 448 I CB 2.395 40.353 38.000 -0.069 0.000 1.234 448 I HN 0.971 nan 8.210 nan 0.000 0.425 449 S N 3.602 119.501 115.700 0.332 0.000 2.596 449 S HA 0.084 4.581 4.470 0.045 0.000 0.260 449 S C 0.497 175.314 174.600 0.360 0.000 1.336 449 S CA -0.102 58.261 58.200 0.273 0.000 0.993 449 S CB 0.514 63.834 63.200 0.200 0.000 0.923 449 S HN 0.838 nan 8.310 nan 0.000 0.567 450 D N 0.307 120.837 120.400 0.216 0.000 2.811 450 D HA -0.189 4.478 4.640 0.045 0.000 0.231 450 D C 0.926 177.372 176.300 0.244 0.000 1.157 450 D CA 1.095 55.225 54.000 0.215 0.000 0.716 450 D CB -1.789 39.134 40.800 0.205 0.000 1.077 450 D HN 1.477 nan 8.370 nan 0.000 0.428 451 G N -0.592 108.302 108.800 0.158 0.000 2.203 451 G HA2 -0.240 3.747 3.960 0.045 0.000 0.263 451 G HA3 -0.240 3.747 3.960 0.045 0.000 0.263 451 G C 0.770 175.691 174.900 0.036 0.000 1.012 451 G CA 0.708 45.859 45.100 0.086 0.000 0.749 451 G HN 0.807 nan 8.290 nan 0.000 0.512 452 G N -0.820 107.977 108.800 -0.006 0.000 2.699 452 G HA2 0.549 4.537 3.960 0.045 0.000 0.246 452 G HA3 0.549 4.537 3.960 0.045 0.000 0.246 452 G C 0.197 174.917 174.900 -0.299 0.000 1.219 452 G CA 0.859 45.731 45.100 -0.380 0.000 0.866 452 G HN 0.999 nan 8.290 nan 0.000 0.572 453 S N -1.351 114.134 115.700 -0.357 0.000 2.627 453 S HA 0.535 5.032 4.470 0.045 0.000 0.283 453 S C -1.736 172.759 174.600 -0.175 0.000 1.127 453 S CA -0.435 57.645 58.200 -0.200 0.000 0.863 453 S CB 1.883 65.005 63.200 -0.130 0.000 1.121 453 S HN 0.607 nan 8.310 nan 0.000 0.479 454 Y N 1.250 121.407 120.300 -0.239 0.000 2.350 454 Y HA 0.572 5.150 4.550 0.046 0.000 0.338 454 Y C -0.851 174.957 175.900 -0.154 0.000 0.961 454 Y CA -0.364 57.600 58.100 -0.225 0.000 1.100 454 Y CB 1.550 39.883 38.460 -0.212 0.000 1.179 454 Y HN 0.571 nan 8.280 nan 0.000 0.454 455 T N 6.392 120.560 114.554 -0.642 0.000 2.930 455 T HA 0.136 4.513 4.350 0.045 0.000 0.313 455 T C -0.792 173.434 174.700 -0.790 0.000 1.019 455 T CA -0.749 60.993 62.100 -0.597 0.000 1.004 455 T CB 0.611 69.299 68.868 -0.301 0.000 0.987 455 T HN 0.704 nan 8.240 nan 0.000 0.456 456 E N 4.494 124.116 120.200 -0.963 0.000 2.765 456 E HA -0.050 4.327 4.350 0.045 0.000 0.256 456 E C -1.296 175.127 176.600 -0.295 0.000 0.935 456 E CA -0.759 55.262 56.400 -0.633 0.000 0.954 456 E CB 0.618 30.154 29.700 -0.274 0.000 0.908 456 E HN 0.292 nan 8.360 nan 0.000 0.500 457 P HA 0.201 nan 4.420 nan 0.000 0.266 457 P C -1.024 176.263 177.300 -0.021 0.000 1.381 457 P CA -0.019 63.040 63.100 -0.067 0.000 0.940 457 P CB 0.461 32.163 31.700 0.004 0.000 1.435 458 D N 0.797 121.096 120.400 -0.169 0.000 2.192 458 D HA 0.331 4.998 4.640 0.045 0.000 0.246 458 D C 0.176 176.417 176.300 -0.098 0.000 1.042 458 D CA -0.358 53.587 54.000 -0.091 0.000 0.847 458 D CB 2.194 42.937 40.800 -0.095 0.000 1.186 458 D HN 0.054 nan 8.370 nan 0.000 0.461 459 I N 1.375 121.888 120.570 -0.095 0.000 2.336 459 I HA 0.201 4.398 4.170 0.045 0.000 0.292 459 I C 0.435 176.293 176.117 -0.431 0.000 0.991 459 I CA -0.365 60.738 61.300 -0.328 0.000 1.227 459 I CB 1.520 39.177 38.000 -0.572 0.000 1.366 459 I HN 0.248 nan 8.210 nan 0.000 0.466 460 T N 1.738 115.982 114.554 -0.516 0.000 2.861 460 T HA 0.532 4.909 4.350 0.045 0.000 0.287 460 T C -1.137 173.342 174.700 -0.368 0.000 1.003 460 T CA -0.764 61.165 62.100 -0.285 0.000 0.977 460 T CB 1.359 70.147 68.868 -0.133 0.000 0.996 460 T HN 0.429 nan 8.240 nan 0.000 0.448 461 W N 1.949 123.254 121.300 0.009 0.000 2.785 461 W HA 0.380 5.067 4.660 0.045 0.000 0.333 461 W C -0.568 175.957 176.519 0.010 0.000 1.062 461 W CA -0.890 56.465 57.345 0.017 0.000 1.233 461 W CB 1.987 31.467 29.460 0.033 0.000 1.413 461 W HN 0.625 nan 8.180 nan 0.000 0.489 462 N N 4.154 122.992 118.700 0.229 0.000 2.420 462 N HA 0.353 5.120 4.740 0.045 0.000 0.249 462 N C -0.818 174.794 175.510 0.170 0.000 1.033 462 N CA -0.198 52.938 53.050 0.145 0.000 0.944 462 N CB 1.612 40.154 38.487 0.091 0.000 1.113 462 N HN 0.250 nan 8.380 nan 0.000 0.502 463 L N 3.668 124.986 121.223 0.158 0.000 2.384 463 L HA 0.319 4.687 4.340 0.045 0.000 0.261 463 L C -1.572 175.426 176.870 0.213 0.000 1.024 463 L CA -1.669 53.290 54.840 0.199 0.000 0.899 463 L CB 1.914 44.146 42.059 0.287 0.000 1.243 463 L HN 0.144 nan 8.230 nan 0.000 0.449 464 P HA -0.116 nan 4.420 nan 0.000 0.216 464 P C 0.509 177.914 177.300 0.175 0.000 1.150 464 P CA 1.032 64.212 63.100 0.133 0.000 0.843 464 P CB 0.384 32.137 31.700 0.088 0.000 0.787 465 S N -3.486 112.314 115.700 0.166 0.000 2.632 465 S HA 0.394 4.892 4.470 0.045 0.000 0.289 465 S C -1.352 173.229 174.600 -0.031 0.000 1.115 465 S CA -0.857 57.415 58.200 0.121 0.000 0.889 465 S CB 0.200 63.432 63.200 0.053 0.000 1.116 465 S HN -0.085 nan 8.310 nan 0.000 0.486 466 Y N 2.263 122.329 120.300 -0.389 0.000 2.805 466 Y HA 0.345 4.923 4.550 0.045 0.000 0.331 466 Y C 0.347 175.965 175.900 -0.470 0.000 1.241 466 Y CA 1.068 58.653 58.100 -0.859 0.000 1.546 466 Y CB 0.266 38.368 38.460 -0.597 0.000 1.248 466 Y HN 0.508 nan 8.280 nan 0.000 0.559 467 T N 6.069 119.893 114.554 -1.215 0.000 2.916 467 T HA 0.251 4.629 4.350 0.045 0.000 0.298 467 T C 0.652 174.710 174.700 -1.069 0.000 1.031 467 T CA -0.849 60.710 62.100 -0.902 0.000 0.993 467 T CB 0.816 69.442 68.868 -0.404 0.000 1.045 467 T HN 0.752 nan 8.240 nan 0.000 0.454 468 N N 2.462 120.696 118.700 -0.778 0.000 2.289 468 N HA 0.016 4.783 4.740 0.045 0.000 0.184 468 N C 0.347 175.709 175.510 -0.246 0.000 1.016 468 N CA 0.999 53.801 53.050 -0.412 0.000 0.872 468 N CB 0.076 38.445 38.487 -0.196 0.000 0.973 468 N HN 0.882 nan 8.380 nan 0.000 0.433 469 E N -1.769 118.271 120.200 -0.265 0.000 2.388 469 E HA 0.422 4.799 4.350 0.045 0.000 0.280 469 E C -1.184 175.248 176.600 -0.281 0.000 1.019 469 E CA -0.914 55.352 56.400 -0.224 0.000 0.806 469 E CB 1.649 31.259 29.700 -0.150 0.000 1.246 469 E HN -0.147 nan 8.360 nan 0.000 0.443 470 V N -1.054 118.642 119.914 -0.363 0.000 3.126 470 V HA 0.955 5.103 4.120 0.045 0.000 0.314 470 V C -0.373 175.583 176.094 -0.230 0.000 1.138 470 V CA -0.108 61.916 62.300 -0.460 0.000 1.034 470 V CB 1.325 32.407 31.823 -1.235 0.000 1.075 470 V HN 1.084 nan 8.190 nan 0.000 0.442 471 S N 0.407 116.111 115.700 0.006 0.000 2.625 471 S HA 0.905 5.402 4.470 0.045 0.000 0.271 471 S C -1.244 173.578 174.600 0.370 0.000 1.161 471 S CA -0.449 57.814 58.200 0.106 0.000 0.820 471 S CB 1.826 64.998 63.200 -0.047 0.000 1.137 471 S HN 2.256 nan 8.310 nan 0.000 0.470 472 Y N -1.578 118.777 120.300 0.092 0.000 2.625 472 Y HA 0.860 5.437 4.550 0.046 0.000 0.338 472 Y C -0.628 175.247 175.900 -0.042 0.000 1.123 472 Y CA -0.573 57.564 58.100 0.061 0.000 1.046 472 Y CB 1.050 39.564 38.460 0.090 0.000 1.299 472 Y HN 1.062 nan 8.280 nan 0.000 0.464 473 T N -0.014 114.581 114.554 0.069 0.000 2.916 473 T HA 0.835 5.212 4.350 0.045 0.000 0.292 473 T C -1.197 173.548 174.700 0.074 0.000 1.064 473 T CA -0.661 61.378 62.100 -0.101 0.000 1.011 473 T CB 1.926 70.692 68.868 -0.170 0.000 1.152 473 T HN 1.101 nan 8.240 nan 0.000 0.510 474 F N -1.345 118.501 119.950 -0.174 0.000 2.613 474 F HA 0.866 5.420 4.527 0.046 0.000 0.310 474 F C -0.642 175.041 175.800 -0.195 0.000 1.085 474 F CA -1.147 56.755 58.000 -0.163 0.000 0.945 474 F CB 1.861 40.752 39.000 -0.181 0.000 1.298 474 F HN 0.753 nan 8.300 nan 0.000 0.455 475 S N 1.918 117.596 115.700 -0.037 0.000 2.614 475 S HA 0.469 4.966 4.470 0.045 0.000 0.259 475 S C -1.925 172.697 174.600 0.037 0.000 1.118 475 S CA -0.251 57.893 58.200 -0.093 0.000 1.065 475 S CB 1.014 64.139 63.200 -0.125 0.000 1.121 475 S HN 0.938 nan 8.310 nan 0.000 0.458 476 Q N 4.914 124.776 119.800 0.103 0.000 2.294 476 Q HA 0.555 4.922 4.340 0.045 0.000 0.264 476 Q C -2.939 173.148 176.000 0.145 0.000 0.992 476 Q CA -1.672 54.214 55.803 0.138 0.000 0.747 476 Q CB 1.845 30.707 28.738 0.207 0.000 1.262 476 Q HN 0.352 nan 8.270 nan 0.000 0.452 477 P HA 0.091 nan 4.420 nan 0.000 0.266 477 P C -1.341 176.009 177.300 0.082 0.000 1.195 477 P CA -0.136 63.005 63.100 0.069 0.000 0.768 477 P CB 0.928 32.650 31.700 0.036 0.000 0.838 478 V N 2.791 122.744 119.914 0.066 0.000 2.969 478 V HA 0.469 4.616 4.120 0.045 0.000 0.304 478 V C -1.181 174.918 176.094 0.008 0.000 1.192 478 V CA -0.218 62.110 62.300 0.046 0.000 0.962 478 V CB 2.643 34.507 31.823 0.067 0.000 1.045 478 V HN 0.452 nan 8.190 nan 0.000 0.428 479 T N 7.356 121.907 114.554 -0.005 0.000 2.829 479 T HA 0.688 5.065 4.350 0.045 0.000 0.280 479 T C -0.635 174.048 174.700 -0.030 0.000 0.999 479 T CA -0.175 61.910 62.100 -0.023 0.000 0.983 479 T CB 1.151 70.006 68.868 -0.021 0.000 0.968 479 T HN 0.545 nan 8.240 nan 0.000 0.446 480 I N 2.824 123.369 120.570 -0.042 0.000 2.439 480 I HA 0.515 4.712 4.170 0.045 0.000 0.283 480 I C 1.078 177.172 176.117 -0.039 0.000 1.023 480 I CA -0.461 60.814 61.300 -0.042 0.000 1.100 480 I CB 1.165 39.133 38.000 -0.053 0.000 1.238 480 I HN 0.914 nan 8.210 nan 0.000 0.445 481 G N 6.358 115.141 108.800 -0.029 0.000 2.687 481 G HA2 -0.316 3.671 3.960 0.045 0.000 0.303 481 G HA3 -0.316 3.671 3.960 0.045 0.000 0.303 481 G C 0.561 175.444 174.900 -0.028 0.000 1.209 481 G CA 0.375 45.461 45.100 -0.024 0.000 0.968 481 G HN 0.621 nan 8.290 nan 0.000 0.549 482 K N 1.072 121.450 120.400 -0.037 0.000 2.469 482 K HA 0.435 4.782 4.320 0.045 0.000 0.204 482 K C 0.726 177.283 176.600 -0.072 0.000 1.047 482 K CA 0.416 56.676 56.287 -0.044 0.000 1.072 482 K CB 1.440 33.918 32.500 -0.035 0.000 0.863 482 K HN 0.666 nan 8.250 nan 0.000 0.530 483 G N 0.892 109.643 108.800 -0.081 0.000 2.319 483 G HA2 0.315 4.302 3.960 0.045 0.000 0.308 483 G HA3 0.315 4.302 3.960 0.045 0.000 0.308 483 G C -0.572 174.274 174.900 -0.090 0.000 1.117 483 G CA -0.081 44.950 45.100 -0.114 0.000 0.903 483 G HN -0.098 nan 8.290 nan 0.000 0.436 484 T N 1.135 115.633 114.554 -0.094 0.000 2.829 484 T HA 0.716 5.093 4.350 0.045 0.000 0.280 484 T C -0.107 174.557 174.700 -0.061 0.000 0.999 484 T CA -0.377 61.686 62.100 -0.062 0.000 0.983 484 T CB 1.967 70.805 68.868 -0.050 0.000 0.968 484 T HN 0.617 nan 8.240 nan 0.000 0.446 485 T N 0.893 115.428 114.554 -0.032 0.000 2.762 485 T HA 0.562 4.939 4.350 0.045 0.000 0.301 485 T C -1.239 173.475 174.700 0.023 0.000 1.299 485 T CA -0.462 61.627 62.100 -0.018 0.000 1.005 485 T CB 1.703 70.556 68.868 -0.024 0.000 1.377 485 T HN 0.477 nan 8.240 nan 0.000 0.504 486 T N 2.741 117.313 114.554 0.030 0.000 2.756 486 T HA 0.470 4.847 4.350 0.045 0.000 0.290 486 T C -1.050 173.731 174.700 0.135 0.000 0.985 486 T CA -0.270 61.866 62.100 0.060 0.000 0.955 486 T CB 0.054 68.923 68.868 0.002 0.000 0.930 486 T HN 0.407 nan 8.240 nan 0.000 0.451 487 F N 5.308 125.279 119.950 0.036 0.000 2.404 487 F HA 0.519 5.073 4.527 0.045 0.000 0.359 487 F C 0.354 176.243 175.800 0.148 0.000 1.134 487 F CA -1.092 56.982 58.000 0.124 0.000 1.160 487 F CB -0.316 38.798 39.000 0.189 0.000 1.186 487 F HN 0.518 nan 8.300 nan 0.000 0.526 488 S N 3.841 119.383 115.700 -0.264 0.000 2.595 488 S HA 1.028 5.525 4.470 0.045 0.000 0.281 488 S C -0.491 173.325 174.600 -1.306 0.000 1.117 488 S CA -0.308 57.359 58.200 -0.889 0.000 0.873 488 S CB 1.721 64.635 63.200 -0.477 0.000 1.108 488 S HN 1.219 nan 8.310 nan 0.000 0.477 489 G N -0.031 107.653 108.800 -1.861 0.000 2.349 489 G HA2 0.538 4.525 3.960 0.045 0.000 0.294 489 G HA3 0.538 4.525 3.960 0.045 0.000 0.294 489 G C -1.685 172.678 174.900 -0.896 0.000 1.380 489 G CA -0.612 43.806 45.100 -1.137 0.000 0.811 489 G HN 0.858 nan 8.290 nan 0.000 0.519 490 T N 0.313 114.518 114.554 -0.583 0.000 2.809 490 T HA 0.579 4.956 4.350 0.045 0.000 0.284 490 T C -0.545 173.743 174.700 -0.685 0.000 0.992 490 T CA -0.364 61.430 62.100 -0.510 0.000 0.957 490 T CB 1.667 70.339 68.868 -0.326 0.000 0.942 490 T HN 0.597 nan 8.240 nan 0.000 0.439 491 V N 3.869 123.257 119.914 -0.877 0.000 2.384 491 V HA 0.432 4.579 4.120 0.045 0.000 0.287 491 V C 0.341 176.068 176.094 -0.612 0.000 1.020 491 V CA -0.677 60.953 62.300 -1.117 0.000 0.850 491 V CB 1.553 32.421 31.823 -1.591 0.000 0.987 491 V HN 0.947 nan 8.190 nan 0.000 0.436 492 T N 4.639 118.950 114.554 -0.405 0.000 2.767 492 T HA 0.412 4.789 4.350 0.045 0.000 0.288 492 T C -0.301 174.340 174.700 -0.097 0.000 0.963 492 T CA -0.273 61.711 62.100 -0.193 0.000 1.019 492 T CB 1.287 70.074 68.868 -0.134 0.000 0.923 492 T HN 0.650 nan 8.240 nan 0.000 0.468 493 Q N 4.288 124.041 119.800 -0.077 0.000 2.456 493 Q HA 0.377 4.744 4.340 0.045 0.000 0.252 493 Q C -2.778 173.164 176.000 -0.096 0.000 1.042 493 Q CA -2.337 53.439 55.803 -0.046 0.000 0.766 493 Q CB 1.043 29.762 28.738 -0.032 0.000 1.196 493 Q HN 0.235 nan 8.270 nan 0.000 0.504 494 P HA 0.109 nan 4.420 nan 0.000 0.271 494 P C -0.917 176.369 177.300 -0.023 0.000 1.216 494 P CA 0.107 63.184 63.100 -0.037 0.000 0.776 494 P CB 0.645 32.348 31.700 0.006 0.000 0.881 495 L N 2.857 124.065 121.223 -0.026 0.000 2.313 495 L HA 0.477 4.844 4.340 0.045 0.000 0.283 495 L C 0.601 177.561 176.870 0.150 0.000 1.013 495 L CA -0.747 54.123 54.840 0.051 0.000 0.816 495 L CB 1.578 43.660 42.059 0.038 0.000 1.236 495 L HN 0.280 nan 8.230 nan 0.000 0.419 496 K N 2.915 123.420 120.400 0.176 0.000 2.240 496 K HA 0.740 5.087 4.320 0.045 0.000 0.271 496 K C -0.624 176.105 176.600 0.215 0.000 1.018 496 K CA -0.307 56.082 56.287 0.170 0.000 0.874 496 K CB 1.635 34.199 32.500 0.106 0.000 1.098 496 K HN 0.719 nan 8.250 nan 0.000 0.458 497 A N 0.000 122.922 122.820 0.171 0.000 2.254 497 A HA 0.000 4.347 4.320 0.045 0.000 0.244 497 A CA 0.000 52.083 52.037 0.076 0.000 0.836 497 A CB 0.000 18.883 19.000 -0.196 0.000 0.831 497 A HN 0.000 nan 8.150 nan 0.000 0.486