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 3epg_1_A DATA FIRST_RESID 25 DATA SEQUENCE ASSRVIVHVD LDCFYAQVEM ISNPELKDKP LGVQQKYLVV TCNYEARKLG DATA SEQUENCE VKKLMNVRDA KEKCPQLVLV NGEDLTRYRE MSYKVTELLE EFSPVVERLG DATA SEQUENCE FDENFVDLTE MVEKRLQQLQ SDELSAVTVS GHVYNNQSIN LLDVLHIRLL DATA SEQUENCE VGSQIAAEMR EAMYNQLGLT GCAGVASNKL LAKLVSGVFK PNQQTVLLPE DATA SEQUENCE SCQHLIHSLN HIKEIPGIGY KTAKCLEALG INSVRDLQTF SPKILEKELG DATA SEQUENCE ISVAQRIQKL SFGEDNSPVI LSGPPQSFSE EDSFKKCSSE VEAKNKIEEL DATA SEQUENCE LASLLNRVCQ DGRKPHTVRL IIRRYSXXXX YGRESRQCPI PSHVIQKXXX DATA SEQUENCE XXXDVMTPMV DILMKLFRNM VNVXXXXXLT LLSVCFCNLK 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 25 A HA 0.000 nan 4.320 nan 0.000 0.244 25 A C 0.000 177.580 177.584 -0.006 0.000 1.274 25 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 25 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 26 S N -1.228 114.470 115.700 -0.005 0.000 2.765 26 S HA -0.154 4.326 4.470 0.016 0.000 0.266 26 S C 0.528 175.123 174.600 -0.008 0.000 1.302 26 S CA 1.281 59.477 58.200 -0.006 0.000 1.274 26 S CB -1.436 61.759 63.200 -0.008 0.000 1.559 26 S HN 1.613 nan 8.310 nan 0.000 0.658 27 S N 1.085 116.780 115.700 -0.009 0.000 2.537 27 S HA 0.601 5.081 4.470 0.016 0.000 0.275 27 S C 0.295 174.893 174.600 -0.004 0.000 1.272 27 S CA -0.450 57.744 58.200 -0.010 0.000 1.050 27 S CB 0.584 63.774 63.200 -0.017 0.000 0.961 27 S HN 0.367 nan 8.310 nan 0.000 0.496 28 R N 1.796 122.295 120.500 -0.002 0.000 2.691 28 R HA 0.698 5.048 4.340 0.016 0.000 0.259 28 R C -1.259 175.048 176.300 0.013 0.000 1.048 28 R CA -0.869 55.235 56.100 0.006 0.000 1.086 28 R CB 1.356 31.660 30.300 0.006 0.000 1.166 28 R HN 0.383 nan 8.270 nan 0.000 0.526 29 V N 3.566 123.494 119.914 0.023 0.000 2.447 29 V HA 0.342 4.471 4.120 0.016 0.000 0.292 29 V C -0.637 175.484 176.094 0.045 0.000 1.021 29 V CA -0.683 61.636 62.300 0.031 0.000 0.850 29 V CB 1.443 33.283 31.823 0.029 0.000 1.005 29 V HN 0.506 nan 8.190 nan 0.000 0.426 30 I N 4.832 125.439 120.570 0.061 0.000 2.562 30 I HA 0.564 4.744 4.170 0.016 0.000 0.301 30 I C -0.117 176.063 176.117 0.106 0.000 1.003 30 I CA -0.905 60.454 61.300 0.099 0.000 1.127 30 I CB 1.912 39.989 38.000 0.129 0.000 1.304 30 I HN 0.335 nan 8.210 nan 0.000 0.446 31 V N 5.703 125.681 119.914 0.106 0.000 2.555 31 V HA 0.435 4.565 4.120 0.016 0.000 0.302 31 V C -0.794 175.344 176.094 0.072 0.000 1.038 31 V CA -0.402 61.934 62.300 0.061 0.000 0.887 31 V CB 1.847 33.659 31.823 -0.020 0.000 0.991 31 V HN 0.831 nan 8.190 nan 0.000 0.434 32 H N 6.118 125.130 119.070 -0.096 0.000 2.638 32 H HA 0.564 5.129 4.556 0.015 0.000 0.317 32 H C -1.661 173.512 175.328 -0.258 0.000 1.006 32 H CA -0.494 55.366 56.048 -0.314 0.000 1.222 32 H CB 1.766 31.300 29.762 -0.380 0.000 1.419 32 H HN 0.487 nan 8.280 nan 0.000 0.489 33 V N 5.520 125.033 119.914 -0.669 0.000 2.439 33 V HA 0.161 4.291 4.120 0.016 0.000 0.282 33 V C -0.034 175.655 176.094 -0.676 0.000 1.039 33 V CA -0.361 61.627 62.300 -0.521 0.000 0.913 33 V CB 1.498 33.131 31.823 -0.316 0.000 0.983 33 V HN 0.772 nan 8.190 nan 0.000 0.460 34 D N 4.176 124.294 120.400 -0.470 0.000 2.616 34 D HA 0.361 5.011 4.640 0.016 0.000 0.238 34 D C -1.024 175.173 176.300 -0.173 0.000 1.354 34 D CA -0.463 53.320 54.000 -0.362 0.000 0.970 34 D CB 1.517 42.131 40.800 -0.311 0.000 1.369 34 D HN 0.203 nan 8.370 nan 0.000 0.585 35 L N 3.045 124.179 121.223 -0.148 0.000 2.397 35 L HA 0.239 4.589 4.340 0.016 0.000 0.271 35 L C 0.521 177.431 176.870 0.066 0.000 1.148 35 L CA -0.011 54.815 54.840 -0.024 0.000 0.825 35 L CB 0.541 42.595 42.059 -0.009 0.000 1.117 35 L HN 0.314 nan 8.230 nan 0.000 0.456 36 D N 2.138 122.613 120.400 0.125 0.000 2.450 36 D HA 0.023 4.673 4.640 0.016 0.000 0.247 36 D C 0.941 177.392 176.300 0.252 0.000 1.162 36 D CA 0.225 54.362 54.000 0.230 0.000 0.879 36 D CB 0.245 41.176 40.800 0.218 0.000 1.163 36 D HN 0.888 nan 8.370 nan 0.000 0.472 37 C N 1.809 121.229 119.300 0.199 0.000 3.886 37 C HA -0.254 4.216 4.460 0.016 0.000 0.295 37 C C 1.746 176.795 174.990 0.097 0.000 1.411 37 C CA -0.804 58.261 59.018 0.078 0.000 2.059 37 C CB -3.255 24.523 27.740 0.063 0.000 1.329 37 C HN 0.690 nan 8.230 nan 0.000 0.670 38 F N 1.482 121.388 119.950 -0.074 0.000 2.048 38 F HA -0.210 4.326 4.527 0.015 0.000 0.296 38 F C 2.236 178.057 175.800 0.035 0.000 1.109 38 F CA 2.717 60.701 58.000 -0.027 0.000 1.214 38 F CB -0.686 38.273 39.000 -0.069 0.000 0.963 38 F HN 0.457 nan 8.300 nan 0.000 0.491 39 Y N 0.172 120.235 120.300 -0.395 0.000 2.145 39 Y HA -0.071 4.489 4.550 0.017 0.000 0.286 39 Y C 2.702 178.396 175.900 -0.342 0.000 1.145 39 Y CA 0.788 58.436 58.100 -0.753 0.000 1.148 39 Y CB -1.782 36.169 38.460 -0.847 0.000 0.981 39 Y HN 0.181 nan 8.280 nan 0.000 0.507 40 A N -0.279 122.537 122.820 -0.007 0.000 2.019 40 A HA -0.239 4.091 4.320 0.016 0.000 0.219 40 A C 2.240 179.843 177.584 0.032 0.000 1.164 40 A CA 1.700 53.752 52.037 0.025 0.000 0.644 40 A CB -0.721 18.291 19.000 0.020 0.000 0.805 40 A HN 0.564 nan 8.150 nan 0.000 0.449 41 Q N -0.407 119.404 119.800 0.019 0.000 2.331 41 Q HA -0.015 4.335 4.340 0.016 0.000 0.203 41 Q C 1.522 177.534 176.000 0.019 0.000 0.944 41 Q CA 1.174 57.008 55.803 0.051 0.000 0.892 41 Q CB -0.036 28.770 28.738 0.113 0.000 0.983 41 Q HN 0.387 nan 8.270 nan 0.000 0.482 42 V N 1.176 121.060 119.914 -0.051 0.000 2.379 42 V HA -0.165 3.965 4.120 0.016 0.000 0.245 42 V C 2.066 178.191 176.094 0.051 0.000 1.044 42 V CA 1.645 63.942 62.300 -0.006 0.000 1.036 42 V CB -0.408 31.421 31.823 0.010 0.000 0.664 42 V HN 0.340 nan 8.190 nan 0.000 0.453 43 E N -0.035 120.211 120.200 0.077 0.000 2.153 43 E HA -0.163 4.197 4.350 0.016 0.000 0.194 43 E C 2.136 178.764 176.600 0.047 0.000 0.988 43 E CA 1.300 57.741 56.400 0.069 0.000 0.811 43 E CB -0.306 29.442 29.700 0.080 0.000 0.746 43 E HN 0.562 nan 8.360 nan 0.000 0.466 44 M N -0.094 119.535 119.600 0.049 0.000 2.254 44 M HA -0.030 4.460 4.480 0.016 0.000 0.265 44 M C 2.300 178.627 176.300 0.045 0.000 1.066 44 M CA 0.930 56.259 55.300 0.048 0.000 1.123 44 M CB -0.154 32.481 32.600 0.059 0.000 1.388 44 M HN 0.023 nan 8.290 nan 0.000 0.425 45 I N -0.557 120.039 120.570 0.044 0.000 2.315 45 I HA -0.221 3.959 4.170 0.016 0.000 0.248 45 I C 2.294 178.426 176.117 0.025 0.000 1.117 45 I CA 1.026 62.348 61.300 0.037 0.000 1.404 45 I CB -0.226 37.797 38.000 0.038 0.000 1.071 45 I HN 0.180 nan 8.210 nan 0.000 0.419 46 S N 0.246 115.959 115.700 0.022 0.000 2.423 46 S HA -0.085 4.395 4.470 0.016 0.000 0.231 46 S C 1.089 175.697 174.600 0.013 0.000 1.014 46 S CA 0.968 59.176 58.200 0.012 0.000 0.965 46 S CB -0.192 63.011 63.200 0.005 0.000 0.785 46 S HN 0.356 nan 8.310 nan 0.000 0.495 47 N N 0.297 119.008 118.700 0.019 0.000 2.752 47 N HA 0.307 5.056 4.740 0.016 0.000 0.260 47 N C -2.618 172.906 175.510 0.023 0.000 1.562 47 N CA -2.075 50.986 53.050 0.018 0.000 0.788 47 N CB 0.843 39.340 38.487 0.018 0.000 1.192 47 N HN -0.148 nan 8.380 nan 0.000 0.503 48 P HA -0.222 nan 4.420 nan 0.000 0.221 48 P C 1.072 178.388 177.300 0.026 0.000 1.153 48 P CA 2.062 65.178 63.100 0.027 0.000 0.858 48 P CB 0.255 31.968 31.700 0.022 0.000 0.783 49 E N -0.560 119.653 120.200 0.022 0.000 2.409 49 E HA -0.107 4.253 4.350 0.016 0.000 0.198 49 E C 1.712 178.326 176.600 0.023 0.000 1.024 49 E CA 0.948 57.360 56.400 0.020 0.000 0.861 49 E CB -1.478 28.232 29.700 0.016 0.000 0.788 49 E HN 0.296 nan 8.360 nan 0.000 0.521 50 L N -0.180 121.059 121.223 0.027 0.000 2.592 50 L HA 0.147 4.497 4.340 0.016 0.000 0.227 50 L C 0.536 177.427 176.870 0.036 0.000 1.127 50 L CA -0.261 54.597 54.840 0.030 0.000 0.884 50 L CB 0.240 42.318 42.059 0.031 0.000 1.065 50 L HN -0.061 nan 8.230 nan 0.000 0.457 51 K N 1.833 122.256 120.400 0.038 0.000 2.419 51 K HA -0.094 4.236 4.320 0.016 0.000 0.282 51 K C 0.339 176.963 176.600 0.041 0.000 1.056 51 K CA 0.416 56.729 56.287 0.044 0.000 1.035 51 K CB 0.003 32.530 32.500 0.044 0.000 0.921 51 K HN 0.075 nan 8.250 nan 0.000 0.472 52 D N 1.000 121.428 120.400 0.046 0.000 2.713 52 D HA -0.213 4.437 4.640 0.016 0.000 0.231 52 D C -0.559 175.761 176.300 0.034 0.000 1.173 52 D CA 1.416 55.442 54.000 0.042 0.000 0.628 52 D CB -0.309 40.515 40.800 0.041 0.000 1.033 52 D HN 0.643 nan 8.370 nan 0.000 0.419 53 K N 1.064 121.483 120.400 0.032 0.000 2.211 53 K HA 0.459 4.789 4.320 0.016 0.000 0.275 53 K C -2.337 174.280 176.600 0.028 0.000 1.024 53 K CA -1.315 54.988 56.287 0.027 0.000 0.887 53 K CB 0.624 33.138 32.500 0.023 0.000 1.084 53 K HN 0.062 nan 8.250 nan 0.000 0.463 54 P HA 0.107 nan 4.420 nan 0.000 0.264 54 P C -0.985 176.324 177.300 0.016 0.000 1.236 54 P CA -0.202 62.911 63.100 0.021 0.000 0.811 54 P CB 0.384 32.094 31.700 0.016 0.000 0.840 55 L N 4.333 125.566 121.223 0.017 0.000 2.322 55 L HA 0.786 5.136 4.340 0.016 0.000 0.281 55 L C -0.037 176.837 176.870 0.007 0.000 1.014 55 L CA -0.240 54.610 54.840 0.017 0.000 0.815 55 L CB 1.796 43.872 42.059 0.027 0.000 1.247 55 L HN 0.401 nan 8.230 nan 0.000 0.421 56 G N 4.063 112.868 108.800 0.008 0.000 2.452 56 G HA2 0.596 4.565 3.960 0.016 0.000 0.324 56 G HA3 0.596 4.565 3.960 0.016 0.000 0.324 56 G C -1.480 173.435 174.900 0.024 0.000 1.214 56 G CA -0.566 44.537 45.100 0.005 0.000 0.947 56 G HN 0.494 nan 8.290 nan 0.000 0.478 57 V N 1.515 121.451 119.914 0.036 0.000 2.439 57 V HA 0.378 4.508 4.120 0.016 0.000 0.282 57 V C 0.260 176.391 176.094 0.061 0.000 1.039 57 V CA -0.566 61.773 62.300 0.065 0.000 0.913 57 V CB 1.366 33.255 31.823 0.110 0.000 0.983 57 V HN 0.772 nan 8.190 nan 0.000 0.460 58 Q N 3.342 123.175 119.800 0.056 0.000 2.293 58 Q HA 0.506 4.856 4.340 0.016 0.000 0.261 58 Q C -1.105 174.924 176.000 0.049 0.000 0.960 58 Q CA -0.541 55.287 55.803 0.042 0.000 0.882 58 Q CB 1.587 30.343 28.738 0.029 0.000 1.275 58 Q HN 0.746 nan 8.270 nan 0.000 0.445 59 Q N 3.485 123.310 119.800 0.043 0.000 2.290 59 Q HA 0.277 4.626 4.340 0.016 0.000 0.269 59 Q C -0.572 175.440 176.000 0.019 0.000 1.016 59 Q CA -0.805 55.021 55.803 0.037 0.000 0.754 59 Q CB 1.711 30.480 28.738 0.052 0.000 1.247 59 Q HN 0.599 nan 8.270 nan 0.000 0.451 60 K N -0.944 119.465 120.400 0.014 0.000 1.779 60 K HA -0.325 4.004 4.320 0.016 0.000 0.128 60 K C 0.804 177.408 176.600 0.007 0.000 1.288 60 K CA 2.427 58.718 56.287 0.007 0.000 0.398 60 K CB -1.542 30.954 32.500 -0.006 0.000 0.609 60 K HN 0.824 nan 8.250 nan 0.000 0.874 61 Y N 1.997 122.298 120.300 0.001 0.000 2.583 61 Y HA 0.533 5.092 4.550 0.016 0.000 0.294 61 Y C 1.121 177.020 175.900 -0.002 0.000 1.170 61 Y CA -0.187 57.913 58.100 0.000 0.000 1.265 61 Y CB 0.095 38.554 38.460 -0.002 0.000 1.119 61 Y HN 0.208 nan 8.280 nan 0.000 0.522 62 L N 0.396 121.619 121.223 0.001 0.000 2.354 62 L HA 0.609 4.958 4.340 0.016 0.000 0.269 62 L C -0.720 176.153 176.870 0.005 0.000 1.005 62 L CA -1.389 53.451 54.840 -0.001 0.000 0.819 62 L CB 2.407 44.464 42.059 -0.003 0.000 1.311 62 L HN 0.011 nan 8.230 nan 0.000 0.423 63 V N 3.032 122.944 119.914 -0.002 0.000 2.304 63 V HA 0.045 4.175 4.120 0.016 0.000 0.262 63 V C 0.955 177.045 176.094 -0.008 0.000 1.061 63 V CA -0.016 62.284 62.300 -0.001 0.000 0.872 63 V CB 1.421 33.237 31.823 -0.012 0.000 1.077 63 V HN 0.648 nan 8.190 nan 0.000 0.480 64 V N 4.219 124.141 119.914 0.012 0.000 2.667 64 V HA 0.014 4.143 4.120 0.016 0.000 0.252 64 V C 0.956 177.021 176.094 -0.049 0.000 1.065 64 V CA 2.285 64.585 62.300 0.000 0.000 1.083 64 V CB 0.507 32.367 31.823 0.060 0.000 0.692 64 V HN 0.936 nan 8.190 nan 0.000 0.468 65 T N -1.578 112.951 114.554 -0.040 0.000 2.831 65 T HA 0.476 4.836 4.350 0.016 0.000 0.333 65 T C -1.516 173.148 174.700 -0.060 0.000 1.684 65 T CA -0.108 61.942 62.100 -0.084 0.000 1.049 65 T CB 0.889 69.670 68.868 -0.146 0.000 1.518 65 T HN 0.579 nan 8.240 nan 0.000 0.491 66 C N 2.833 122.077 119.300 -0.095 0.000 3.241 66 C HA 0.930 5.400 4.460 0.016 0.000 0.312 66 C C -0.181 174.740 174.990 -0.115 0.000 1.350 66 C CA -1.221 57.750 59.018 -0.078 0.000 1.415 66 C CB 0.601 28.296 27.740 -0.075 0.000 1.770 66 C HN 1.059 nan 8.230 nan 0.000 0.466 67 N N -0.056 118.611 118.700 -0.055 0.000 2.424 67 N HA 0.229 4.979 4.740 0.016 0.000 0.257 67 N C -0.002 175.475 175.510 -0.054 0.000 1.250 67 N CA -0.425 52.616 53.050 -0.014 0.000 0.946 67 N CB 0.175 38.700 38.487 0.063 0.000 1.175 67 N HN 0.775 nan 8.380 nan 0.000 0.477 68 Y N -0.859 119.450 120.300 0.016 0.000 2.497 68 Y HA -0.030 4.532 4.550 0.020 0.000 0.292 68 Y C 1.052 176.961 175.900 0.014 0.000 1.137 68 Y CA 0.752 58.861 58.100 0.014 0.000 1.285 68 Y CB -0.086 38.384 38.460 0.016 0.000 0.991 68 Y HN 0.575 nan 8.280 nan 0.000 0.556 69 E N -0.217 120.074 120.200 0.152 0.000 2.520 69 E HA -0.008 4.352 4.350 0.016 0.000 0.201 69 E C 1.378 178.008 176.600 0.050 0.000 1.122 69 E CA 0.738 57.191 56.400 0.088 0.000 0.896 69 E CB -0.104 29.640 29.700 0.073 0.000 0.891 69 E HN 0.475 nan 8.360 nan 0.000 0.533 70 A N -0.799 122.040 122.820 0.031 0.000 2.189 70 A HA 0.193 4.523 4.320 0.016 0.000 0.177 70 A C 1.654 179.224 177.584 -0.022 0.000 1.745 70 A CA -0.248 51.789 52.037 0.001 0.000 1.284 70 A CB 0.275 19.268 19.000 -0.011 0.000 1.508 70 A HN 0.029 nan 8.150 nan 0.000 0.440 71 R N 1.096 121.565 120.500 -0.051 0.000 2.091 71 R HA -0.111 4.239 4.340 0.016 0.000 0.238 71 R C 1.750 178.038 176.300 -0.019 0.000 1.136 71 R CA 1.784 57.837 56.100 -0.078 0.000 0.959 71 R CB -0.282 29.908 30.300 -0.185 0.000 0.856 71 R HN 0.481 nan 8.270 nan 0.000 0.437 72 K N 0.467 120.879 120.400 0.019 0.000 2.173 72 K HA -0.162 4.168 4.320 0.016 0.000 0.207 72 K C 1.184 177.791 176.600 0.012 0.000 1.046 72 K CA 1.154 57.458 56.287 0.027 0.000 0.929 72 K CB -0.216 32.309 32.500 0.042 0.000 0.720 72 K HN 0.084 nan 8.250 nan 0.000 0.453 73 L N 0.679 121.905 121.223 0.005 0.000 2.801 73 L HA 0.125 4.475 4.340 0.016 0.000 0.250 73 L C 0.915 177.782 176.870 -0.005 0.000 1.222 73 L CA 0.452 55.294 54.840 0.002 0.000 1.054 73 L CB -0.656 41.405 42.059 0.002 0.000 1.330 73 L HN 0.315 nan 8.230 nan 0.000 0.426 74 G N -0.712 108.083 108.800 -0.008 0.000 2.258 74 G HA2 -0.257 3.712 3.960 0.016 0.000 0.274 74 G HA3 -0.257 3.712 3.960 0.016 0.000 0.274 74 G C 0.209 175.097 174.900 -0.020 0.000 1.021 74 G CA 0.310 45.403 45.100 -0.012 0.000 0.798 74 G HN 0.222 nan 8.290 nan 0.000 0.507 75 V N 0.999 120.896 119.914 -0.028 0.000 2.407 75 V HA 0.562 4.692 4.120 0.016 0.000 0.278 75 V C 0.288 176.350 176.094 -0.054 0.000 1.037 75 V CA -0.461 61.818 62.300 -0.036 0.000 0.900 75 V CB 1.590 33.392 31.823 -0.035 0.000 0.983 75 V HN 0.265 nan 8.190 nan 0.000 0.459 76 K N 3.353 123.723 120.400 -0.050 0.000 2.350 76 K HA 0.546 4.876 4.320 0.016 0.000 0.241 76 K C -0.448 176.114 176.600 -0.063 0.000 0.994 76 K CA -1.042 55.209 56.287 -0.060 0.000 0.839 76 K CB 2.025 34.498 32.500 -0.045 0.000 1.244 76 K HN 0.474 nan 8.250 nan 0.000 0.443 77 K N 1.368 121.724 120.400 -0.075 0.000 2.485 77 K HA 0.060 4.389 4.320 0.016 0.000 0.277 77 K C 0.209 176.776 176.600 -0.056 0.000 0.990 77 K CA 0.086 56.328 56.287 -0.074 0.000 0.994 77 K CB 0.046 32.494 32.500 -0.086 0.000 0.906 77 K HN 0.499 nan 8.250 nan 0.000 0.488 78 L N 0.705 121.898 121.223 -0.049 0.000 3.739 78 L HA -0.253 4.097 4.340 0.016 0.000 0.442 78 L C 0.008 176.858 176.870 -0.034 0.000 1.241 78 L CA 0.228 55.045 54.840 -0.038 0.000 0.819 78 L CB -1.680 40.354 42.059 -0.042 0.000 1.679 78 L HN 0.721 nan 8.230 nan 0.000 0.889 79 M N 0.643 120.224 119.600 -0.031 0.000 2.318 79 M HA 0.397 4.887 4.480 0.016 0.000 0.347 79 M C 0.675 176.964 176.300 -0.019 0.000 1.175 79 M CA -0.310 54.974 55.300 -0.026 0.000 1.075 79 M CB 0.994 33.577 32.600 -0.027 0.000 1.614 79 M HN 0.188 nan 8.290 nan 0.000 0.456 80 N N 1.590 120.280 118.700 -0.017 0.000 2.237 80 N HA -0.081 4.669 4.740 0.016 0.000 0.245 80 N C 0.868 176.373 175.510 -0.009 0.000 1.239 80 N CA -0.069 52.974 53.050 -0.012 0.000 0.842 80 N CB 0.475 38.956 38.487 -0.011 0.000 1.089 80 N HN 0.490 nan 8.380 nan 0.000 0.454 81 V N 1.584 121.495 119.914 -0.005 0.000 2.295 81 V HA -0.284 3.846 4.120 0.016 0.000 0.246 81 V C 2.840 178.932 176.094 -0.003 0.000 1.049 81 V CA 2.602 64.901 62.300 -0.003 0.000 1.024 81 V CB -1.072 30.751 31.823 0.001 0.000 0.648 81 V HN 0.823 nan 8.190 nan 0.000 0.447 82 R N 0.472 120.970 120.500 -0.003 0.000 2.070 82 R HA -0.233 4.117 4.340 0.016 0.000 0.233 82 R C 1.968 178.266 176.300 -0.004 0.000 1.137 82 R CA 2.182 58.281 56.100 -0.003 0.000 0.945 82 R CB -1.510 28.788 30.300 -0.002 0.000 0.845 82 R HN 0.644 nan 8.270 nan 0.000 0.430 83 D N 0.565 120.961 120.400 -0.006 0.000 2.087 83 D HA -0.092 4.558 4.640 0.016 0.000 0.192 83 D C 2.253 178.548 176.300 -0.008 0.000 0.993 83 D CA 2.074 56.069 54.000 -0.008 0.000 0.828 83 D CB -0.804 39.990 40.800 -0.010 0.000 0.968 83 D HN 0.506 nan 8.370 nan 0.000 0.448 84 A N 0.159 122.973 122.820 -0.010 0.000 2.093 84 A HA -0.269 4.061 4.320 0.016 0.000 0.222 84 A C 2.062 179.642 177.584 -0.007 0.000 1.162 84 A CA 2.308 54.338 52.037 -0.011 0.000 0.655 84 A CB -0.412 18.581 19.000 -0.012 0.000 0.805 84 A HN 0.225 nan 8.150 nan 0.000 0.461 85 K N -1.043 119.354 120.400 -0.005 0.000 2.306 85 K HA 0.037 4.367 4.320 0.016 0.000 0.200 85 K C 1.983 178.582 176.600 -0.001 0.000 1.083 85 K CA 0.714 57.000 56.287 -0.002 0.000 0.959 85 K CB -0.079 32.421 32.500 -0.001 0.000 0.994 85 K HN 0.217 nan 8.250 nan 0.000 0.492 86 E N 1.754 121.953 120.200 -0.002 0.000 2.130 86 E HA -0.278 4.082 4.350 0.016 0.000 0.196 86 E C 1.529 178.128 176.600 -0.001 0.000 0.998 86 E CA 1.532 57.931 56.400 -0.001 0.000 0.806 86 E CB 0.042 29.741 29.700 -0.002 0.000 0.738 86 E HN 0.142 nan 8.360 nan 0.000 0.459 87 K N -0.438 119.960 120.400 -0.003 0.000 2.074 87 K HA -0.123 4.206 4.320 0.016 0.000 0.209 87 K C 1.994 178.594 176.600 -0.001 0.000 1.048 87 K CA 1.859 58.145 56.287 -0.002 0.000 0.926 87 K CB -0.363 32.134 32.500 -0.005 0.000 0.713 87 K HN 0.225 nan 8.250 nan 0.000 0.444 88 C N -1.384 117.916 119.300 -0.000 0.000 3.642 88 C HA 0.386 4.856 4.460 0.016 0.000 0.305 88 C C -1.951 173.041 174.990 0.003 0.000 1.492 88 C CA -0.835 58.184 59.018 0.001 0.000 1.809 88 C CB -0.011 27.729 27.740 -0.000 0.000 2.639 88 C HN 0.301 nan 8.230 nan 0.000 0.672 89 P HA 0.020 nan 4.420 nan 0.000 0.247 89 P C -0.270 177.032 177.300 0.004 0.000 1.225 89 P CA 0.980 64.081 63.100 0.002 0.000 0.768 89 P CB -0.195 31.506 31.700 0.002 0.000 1.020 90 Q N 0.597 120.400 119.800 0.005 0.000 2.673 90 Q HA 0.284 4.634 4.340 0.016 0.000 0.224 90 Q C -0.036 175.967 176.000 0.006 0.000 1.226 90 Q CA -0.060 55.747 55.803 0.006 0.000 1.019 90 Q CB -0.081 28.661 28.738 0.007 0.000 1.312 90 Q HN 0.258 nan 8.270 nan 0.000 0.566 91 L N -0.707 120.519 121.223 0.005 0.000 2.344 91 L HA 0.742 5.092 4.340 0.016 0.000 0.272 91 L C -0.773 176.102 176.870 0.007 0.000 1.035 91 L CA -1.154 53.690 54.840 0.006 0.000 0.807 91 L CB 1.149 43.209 42.059 0.003 0.000 1.237 91 L HN 0.124 nan 8.230 nan 0.000 0.442 92 V N 4.148 124.068 119.914 0.010 0.000 2.539 92 V HA 0.429 4.559 4.120 0.016 0.000 0.292 92 V C 0.248 176.350 176.094 0.014 0.000 1.045 92 V CA -0.427 61.881 62.300 0.012 0.000 0.945 92 V CB 1.524 33.355 31.823 0.015 0.000 0.993 92 V HN 0.610 nan 8.190 nan 0.000 0.464 93 L N 4.781 126.012 121.223 0.014 0.000 2.365 93 L HA 0.689 5.038 4.340 0.016 0.000 0.273 93 L C -0.874 176.009 176.870 0.021 0.000 1.000 93 L CA -0.758 54.093 54.840 0.018 0.000 0.819 93 L CB 2.161 44.229 42.059 0.015 0.000 1.284 93 L HN 0.324 nan 8.230 nan 0.000 0.418 94 V N 1.921 121.853 119.914 0.029 0.000 2.680 94 V HA 0.317 4.447 4.120 0.016 0.000 0.309 94 V C 0.007 176.125 176.094 0.040 0.000 1.052 94 V CA -0.853 61.467 62.300 0.033 0.000 0.908 94 V CB 2.147 33.994 31.823 0.041 0.000 1.001 94 V HN 0.708 nan 8.190 nan 0.000 0.431 95 N N 2.343 121.061 118.700 0.030 0.000 2.497 95 N HA 0.202 4.952 4.740 0.016 0.000 0.268 95 N C 0.456 175.991 175.510 0.042 0.000 1.171 95 N CA 0.560 53.628 53.050 0.030 0.000 0.948 95 N CB 1.696 40.191 38.487 0.014 0.000 1.069 95 N HN 0.962 nan 8.380 nan 0.000 0.460 96 G N 2.695 111.532 108.800 0.061 0.000 4.379 96 G HA2 0.086 4.056 3.960 0.016 0.000 0.290 96 G HA3 0.086 4.056 3.960 0.016 0.000 0.290 96 G C 0.665 175.602 174.900 0.062 0.000 1.065 96 G CA -0.262 44.897 45.100 0.098 0.000 0.833 96 G HN 0.639 nan 8.290 nan 0.000 0.512 97 E N 0.149 120.364 120.200 0.025 0.000 2.274 97 E HA -0.053 4.307 4.350 0.016 0.000 0.194 97 E C 0.068 176.669 176.600 0.001 0.000 0.996 97 E CA 0.261 56.672 56.400 0.020 0.000 0.840 97 E CB 0.388 30.096 29.700 0.015 0.000 0.772 97 E HN 0.282 nan 8.360 nan 0.000 0.491 98 D N 0.692 121.066 120.400 -0.043 0.000 2.347 98 D HA 0.073 4.723 4.640 0.016 0.000 0.235 98 D C 0.273 176.470 176.300 -0.171 0.000 1.149 98 D CA -0.151 53.803 54.000 -0.076 0.000 0.850 98 D CB 0.916 41.660 40.800 -0.094 0.000 1.061 98 D HN 0.016 nan 8.370 nan 0.000 0.487 99 L N 3.213 124.399 121.223 -0.062 0.000 2.629 99 L HA 0.058 4.408 4.340 0.016 0.000 0.230 99 L C 1.935 178.794 176.870 -0.019 0.000 1.151 99 L CA -0.098 54.730 54.840 -0.020 0.000 0.924 99 L CB -0.158 42.045 42.059 0.240 0.000 1.137 99 L HN 0.318 nan 8.230 nan 0.000 0.457 100 T N -0.157 114.337 114.554 -0.100 0.000 2.622 100 T HA -0.216 4.143 4.350 0.016 0.000 0.266 100 T C 2.045 176.700 174.700 -0.075 0.000 1.047 100 T CA 1.564 63.641 62.100 -0.038 0.000 1.159 100 T CB -0.121 68.717 68.868 -0.050 0.000 0.863 100 T HN 0.340 nan 8.240 nan 0.000 0.422 101 R N -0.015 120.334 120.500 -0.253 0.000 2.120 101 R HA -0.038 4.312 4.340 0.016 0.000 0.234 101 R C 2.368 178.625 176.300 -0.072 0.000 1.123 101 R CA 1.413 57.392 56.100 -0.202 0.000 0.975 101 R CB -0.449 29.684 30.300 -0.277 0.000 0.866 101 R HN 0.603 nan 8.270 nan 0.000 0.446 102 Y N -0.430 119.901 120.300 0.052 0.000 2.184 102 Y HA -0.096 4.465 4.550 0.017 0.000 0.290 102 Y C 2.584 178.707 175.900 0.372 0.000 1.129 102 Y CA 0.440 58.653 58.100 0.187 0.000 1.144 102 Y CB -0.191 38.409 38.460 0.234 0.000 0.995 102 Y HN -0.062 nan 8.280 nan 0.000 0.513 103 R N 0.948 121.703 120.500 0.425 0.000 2.117 103 R HA -0.210 4.140 4.340 0.016 0.000 0.243 103 R C 1.812 178.191 176.300 0.132 0.000 1.143 103 R CA 1.937 58.043 56.100 0.010 0.000 0.968 103 R CB -0.134 30.251 30.300 0.142 0.000 0.863 103 R HN 0.502 nan 8.270 nan 0.000 0.444 104 E N -0.381 119.924 120.200 0.175 0.000 2.072 104 E HA -0.197 4.163 4.350 0.016 0.000 0.190 104 E C 1.825 178.538 176.600 0.188 0.000 0.982 104 E CA 1.193 57.696 56.400 0.171 0.000 0.803 104 E CB -0.071 29.689 29.700 0.101 0.000 0.755 104 E HN 0.169 nan 8.360 nan 0.000 0.453 105 M N 0.540 120.272 119.600 0.220 0.000 2.296 105 M HA -0.089 4.401 4.480 0.016 0.000 0.265 105 M C 2.166 178.645 176.300 0.298 0.000 1.064 105 M CA 1.036 56.494 55.300 0.263 0.000 1.109 105 M CB -0.045 32.731 32.600 0.294 0.000 1.396 105 M HN -0.072 nan 8.290 nan 0.000 0.430 106 S N -0.852 115.015 115.700 0.278 0.000 2.345 106 S HA -0.161 4.319 4.470 0.016 0.000 0.220 106 S C 1.856 176.339 174.600 -0.196 0.000 1.031 106 S CA 1.381 59.562 58.200 -0.032 0.000 0.996 106 S CB -0.462 62.561 63.200 -0.294 0.000 0.882 106 S HN 0.644 nan 8.310 nan 0.000 0.445 107 Y N 1.765 122.049 120.300 -0.027 0.000 2.224 107 Y HA -0.024 4.537 4.550 0.017 0.000 0.289 107 Y C 2.462 178.373 175.900 0.020 0.000 1.146 107 Y CA 1.355 59.445 58.100 -0.017 0.000 1.182 107 Y CB -0.113 38.337 38.460 -0.017 0.000 0.983 107 Y HN 0.242 nan 8.280 nan 0.000 0.524 108 K N -0.403 120.102 120.400 0.175 0.000 2.103 108 K HA -0.174 4.156 4.320 0.016 0.000 0.207 108 K C 1.960 178.618 176.600 0.097 0.000 1.048 108 K CA 1.611 57.975 56.287 0.128 0.000 0.930 108 K CB -0.495 32.075 32.500 0.118 0.000 0.716 108 K HN 0.162 nan 8.250 nan 0.000 0.444 109 V N 1.256 121.209 119.914 0.066 0.000 2.270 109 V HA -0.235 3.895 4.120 0.016 0.000 0.245 109 V C 2.205 178.311 176.094 0.021 0.000 1.043 109 V CA 2.160 64.478 62.300 0.029 0.000 1.014 109 V CB -0.697 31.107 31.823 -0.032 0.000 0.645 109 V HN 0.379 nan 8.190 nan 0.000 0.447 110 T N -0.428 114.123 114.554 -0.006 0.000 2.720 110 T HA -0.241 4.119 4.350 0.016 0.000 0.268 110 T C 1.806 176.554 174.700 0.081 0.000 1.037 110 T CA 1.808 63.920 62.100 0.020 0.000 1.144 110 T CB -0.283 68.594 68.868 0.014 0.000 0.864 110 T HN 0.572 nan 8.240 nan 0.000 0.444 111 E N 0.497 120.761 120.200 0.107 0.000 2.077 111 E HA -0.075 4.285 4.350 0.016 0.000 0.193 111 E C 2.208 178.871 176.600 0.106 0.000 0.989 111 E CA 0.759 57.224 56.400 0.108 0.000 0.800 111 E CB -0.266 29.498 29.700 0.107 0.000 0.746 111 E HN 0.390 nan 8.360 nan 0.000 0.452 112 L N 1.020 122.310 121.223 0.112 0.000 1.970 112 L HA -0.227 4.123 4.340 0.016 0.000 0.212 112 L C 2.304 179.317 176.870 0.239 0.000 1.071 112 L CA 1.317 56.246 54.840 0.149 0.000 0.751 112 L CB -0.233 41.911 42.059 0.142 0.000 0.889 112 L HN 0.157 nan 8.230 nan 0.000 0.432 113 L N -0.356 120.979 121.223 0.186 0.000 2.129 113 L HA -0.274 4.076 4.340 0.016 0.000 0.212 113 L C 2.402 179.410 176.870 0.229 0.000 1.087 113 L CA 1.494 56.450 54.840 0.193 0.000 0.757 113 L CB -0.755 41.326 42.059 0.036 0.000 0.896 113 L HN 0.423 nan 8.230 nan 0.000 0.434 114 E N -0.250 120.046 120.200 0.160 0.000 2.268 114 E HA -0.212 4.148 4.350 0.016 0.000 0.195 114 E C 2.000 178.672 176.600 0.120 0.000 0.995 114 E CA 0.465 56.942 56.400 0.127 0.000 0.836 114 E CB 0.072 29.829 29.700 0.095 0.000 0.763 114 E HN 0.459 nan 8.360 nan 0.000 0.491 115 E N -0.282 119.992 120.200 0.124 0.000 2.208 115 E HA -0.141 4.219 4.350 0.016 0.000 0.193 115 E C 1.234 177.807 176.600 -0.045 0.000 0.988 115 E CA 0.521 56.931 56.400 0.015 0.000 0.828 115 E CB 0.133 29.805 29.700 -0.047 0.000 0.763 115 E HN 0.161 nan 8.360 nan 0.000 0.478 116 F N 0.502 120.465 119.950 0.020 0.000 2.025 116 F HA -0.026 4.511 4.527 0.017 0.000 0.291 116 F C 1.568 177.380 175.800 0.021 0.000 1.150 116 F CA 0.806 58.818 58.000 0.020 0.000 1.166 116 F CB -0.228 38.784 39.000 0.019 0.000 0.995 116 F HN -0.190 nan 8.300 nan 0.000 0.474 117 S N 0.325 116.169 115.700 0.240 0.000 2.526 117 S HA 0.355 4.835 4.470 0.016 0.000 0.293 117 S C -2.019 172.647 174.600 0.109 0.000 1.092 117 S CA -1.714 56.566 58.200 0.134 0.000 0.980 117 S CB 1.578 64.848 63.200 0.117 0.000 1.048 117 S HN -0.143 nan 8.310 nan 0.000 0.483 118 P HA 0.037 nan 4.420 nan 0.000 0.230 118 P C 0.093 177.433 177.300 0.067 0.000 1.158 118 P CA 0.470 63.610 63.100 0.067 0.000 0.769 118 P CB -0.019 31.711 31.700 0.049 0.000 0.807 119 V N 1.778 121.733 119.914 0.069 0.000 2.221 119 V HA 0.126 4.255 4.120 0.016 0.000 0.258 119 V C 0.190 176.330 176.094 0.077 0.000 1.179 119 V CA -0.311 62.027 62.300 0.063 0.000 1.022 119 V CB 0.850 32.704 31.823 0.052 0.000 1.228 119 V HN -0.204 nan 8.190 nan 0.000 0.487 120 V N 3.716 123.678 119.914 0.081 0.000 2.409 120 V HA 0.411 4.541 4.120 0.016 0.000 0.291 120 V C 0.040 176.195 176.094 0.101 0.000 1.020 120 V CA -0.656 61.700 62.300 0.092 0.000 0.848 120 V CB 1.990 33.859 31.823 0.078 0.000 0.990 120 V HN 0.784 nan 8.190 nan 0.000 0.430 121 E N 4.648 124.935 120.200 0.145 0.000 2.156 121 E HA 0.486 4.846 4.350 0.016 0.000 0.279 121 E C -0.436 176.277 176.600 0.189 0.000 0.965 121 E CA -0.758 55.738 56.400 0.160 0.000 0.789 121 E CB 1.078 30.880 29.700 0.169 0.000 1.098 121 E HN 0.570 nan 8.360 nan 0.000 0.397 122 R N 2.874 123.447 120.500 0.122 0.000 2.404 122 R HA 0.401 4.751 4.340 0.016 0.000 0.291 122 R C -0.819 175.562 176.300 0.135 0.000 1.025 122 R CA -0.814 55.333 56.100 0.078 0.000 0.991 122 R CB 0.827 31.129 30.300 0.004 0.000 1.053 122 R HN 0.284 nan 8.270 nan 0.000 0.479 123 L N 2.264 123.560 121.223 0.121 0.000 2.388 123 L HA 0.449 4.799 4.340 0.016 0.000 0.267 123 L C 0.114 177.031 176.870 0.078 0.000 0.995 123 L CA 0.660 55.582 54.840 0.136 0.000 0.864 123 L CB 1.140 43.337 42.059 0.230 0.000 1.216 123 L HN 0.899 nan 8.230 nan 0.000 0.430 124 G N 3.364 112.227 108.800 0.105 0.000 2.741 124 G HA2 -0.301 3.669 3.960 0.016 0.000 0.222 124 G HA3 -0.301 3.669 3.960 0.016 0.000 0.222 124 G C 0.511 175.554 174.900 0.238 0.000 1.364 124 G CA 0.231 45.416 45.100 0.142 0.000 0.866 124 G HN 0.469 nan 8.290 nan 0.000 0.555 125 F N 0.768 120.664 119.950 -0.091 0.000 2.710 125 F HA 0.122 4.658 4.527 0.016 0.000 0.298 125 F C 2.306 177.820 175.800 -0.476 0.000 1.137 125 F CA 0.863 58.772 58.000 -0.152 0.000 1.444 125 F CB 0.338 39.423 39.000 0.141 0.000 1.111 125 F HN 0.563 nan 8.300 nan 0.000 0.580 126 D N -1.098 119.133 120.400 -0.283 0.000 2.500 126 D HA 0.047 4.697 4.640 0.016 0.000 0.217 126 D C -0.003 176.086 176.300 -0.352 0.000 1.159 126 D CA 0.135 53.806 54.000 -0.548 0.000 0.828 126 D CB -0.120 40.385 40.800 -0.492 0.000 1.039 126 D HN 0.217 nan 8.370 nan 0.000 0.512 127 E N 0.382 120.440 120.200 -0.237 0.000 2.195 127 E HA 0.480 4.840 4.350 0.016 0.000 0.271 127 E C -0.615 175.843 176.600 -0.236 0.000 0.923 127 E CA -0.736 55.506 56.400 -0.262 0.000 0.790 127 E CB 1.708 31.345 29.700 -0.106 0.000 1.155 127 E HN 0.045 nan 8.360 nan 0.000 0.402 128 N N 2.150 120.640 118.700 -0.350 0.000 2.287 128 N HA 0.337 5.087 4.740 0.016 0.000 0.289 128 N C -1.434 173.908 175.510 -0.279 0.000 1.066 128 N CA -0.498 52.429 53.050 -0.205 0.000 0.841 128 N CB 1.556 39.957 38.487 -0.143 0.000 1.599 128 N HN 0.221 nan 8.380 nan 0.000 0.476 129 F N 0.825 120.801 119.950 0.044 0.000 2.443 129 F HA 0.493 5.030 4.527 0.017 0.000 0.335 129 F C 0.394 176.207 175.800 0.021 0.000 1.104 129 F CA -0.719 57.316 58.000 0.059 0.000 1.013 129 F CB 1.537 40.577 39.000 0.066 0.000 1.136 129 F HN -0.009 nan 8.300 nan 0.000 0.470 130 V N 1.915 121.928 119.914 0.167 0.000 2.604 130 V HA 0.259 4.389 4.120 0.016 0.000 0.305 130 V C -0.746 175.414 176.094 0.109 0.000 1.043 130 V CA -0.966 61.399 62.300 0.108 0.000 0.888 130 V CB 1.952 33.800 31.823 0.042 0.000 0.995 130 V HN 0.609 nan 8.190 nan 0.000 0.429 131 D N 3.579 124.033 120.400 0.089 0.000 2.339 131 D HA 0.288 4.938 4.640 0.016 0.000 0.241 131 D C 0.463 176.798 176.300 0.059 0.000 1.183 131 D CA -0.033 54.008 54.000 0.069 0.000 0.859 131 D CB 1.466 42.296 40.800 0.051 0.000 1.067 131 D HN 0.497 nan 8.370 nan 0.000 0.484 132 L N 3.070 124.325 121.223 0.053 0.000 2.607 132 L HA 0.025 4.375 4.340 0.016 0.000 0.228 132 L C 2.137 179.033 176.870 0.044 0.000 1.123 132 L CA -0.056 54.814 54.840 0.050 0.000 0.890 132 L CB 0.029 42.112 42.059 0.040 0.000 1.103 132 L HN 0.328 nan 8.230 nan 0.000 0.468 133 T N -0.290 114.287 114.554 0.038 0.000 2.624 133 T HA -0.264 4.096 4.350 0.016 0.000 0.268 133 T C 1.702 176.420 174.700 0.031 0.000 1.041 133 T CA 1.628 63.746 62.100 0.030 0.000 1.159 133 T CB -0.075 68.806 68.868 0.023 0.000 0.863 133 T HN 0.376 nan 8.240 nan 0.000 0.434 134 E N -0.064 120.156 120.200 0.034 0.000 2.208 134 E HA 0.014 4.374 4.350 0.016 0.000 0.193 134 E C 2.074 178.696 176.600 0.037 0.000 0.988 134 E CA 0.547 56.966 56.400 0.032 0.000 0.828 134 E CB -0.096 29.623 29.700 0.032 0.000 0.763 134 E HN 0.474 nan 8.360 nan 0.000 0.478 135 M N -0.204 119.425 119.600 0.047 0.000 2.325 135 M HA -0.094 4.396 4.480 0.016 0.000 0.265 135 M C 2.104 178.434 176.300 0.050 0.000 1.094 135 M CA 0.674 56.008 55.300 0.056 0.000 1.161 135 M CB 0.317 32.965 32.600 0.081 0.000 1.358 135 M HN -0.054 nan 8.290 nan 0.000 0.446 136 V N 0.906 120.847 119.914 0.045 0.000 2.332 136 V HA -0.272 3.858 4.120 0.016 0.000 0.248 136 V C 2.332 178.444 176.094 0.031 0.000 1.055 136 V CA 1.836 64.158 62.300 0.037 0.000 1.038 136 V CB -0.822 31.021 31.823 0.033 0.000 0.651 136 V HN 0.482 nan 8.190 nan 0.000 0.450 137 E N -0.064 120.153 120.200 0.028 0.000 2.106 137 E HA -0.213 4.146 4.350 0.016 0.000 0.192 137 E C 2.289 178.902 176.600 0.022 0.000 0.984 137 E CA 1.079 57.492 56.400 0.023 0.000 0.806 137 E CB -0.180 29.532 29.700 0.019 0.000 0.750 137 E HN 0.571 nan 8.360 nan 0.000 0.458 138 K N 0.896 121.311 120.400 0.025 0.000 2.097 138 K HA -0.114 4.216 4.320 0.016 0.000 0.205 138 K C 2.063 178.677 176.600 0.023 0.000 1.050 138 K CA 0.853 57.153 56.287 0.023 0.000 0.938 138 K CB 0.087 32.602 32.500 0.025 0.000 0.718 138 K HN -0.037 nan 8.250 nan 0.000 0.442 139 R N 0.255 120.772 120.500 0.028 0.000 2.092 139 R HA -0.029 4.321 4.340 0.016 0.000 0.231 139 R C 2.366 178.680 176.300 0.023 0.000 1.119 139 R CA 0.923 57.039 56.100 0.028 0.000 0.970 139 R CB -0.138 30.182 30.300 0.035 0.000 0.864 139 R HN 0.261 nan 8.270 nan 0.000 0.440 140 L N 0.383 121.620 121.223 0.023 0.000 2.209 140 L HA -0.100 4.249 4.340 0.016 0.000 0.207 140 L C 3.104 179.984 176.870 0.017 0.000 1.094 140 L CA 0.985 55.837 54.840 0.020 0.000 0.790 140 L CB -0.692 41.379 42.059 0.021 0.000 0.932 140 L HN 0.258 nan 8.230 nan 0.000 0.447 141 Q N 0.025 119.835 119.800 0.016 0.000 2.294 141 Q HA -0.353 3.997 4.340 0.016 0.000 0.215 141 Q C 1.883 177.891 176.000 0.013 0.000 1.000 141 Q CA 2.506 58.317 55.803 0.014 0.000 0.916 141 Q CB -0.824 27.922 28.738 0.014 0.000 0.932 141 Q HN 0.648 nan 8.270 nan 0.000 0.420 142 Q N -1.315 118.493 119.800 0.014 0.000 2.155 142 Q HA 0.419 4.768 4.340 0.016 0.000 0.220 142 Q C -0.696 175.311 176.000 0.012 0.000 0.819 142 Q CA -0.202 55.609 55.803 0.013 0.000 1.032 142 Q CB 0.422 29.168 28.738 0.014 0.000 1.151 142 Q HN 0.633 nan 8.270 nan 0.000 0.487 143 L N 1.420 122.650 121.223 0.013 0.000 2.346 143 L HA 0.438 4.788 4.340 0.016 0.000 0.274 143 L C -0.327 176.550 176.870 0.010 0.000 1.007 143 L CA -0.824 54.023 54.840 0.012 0.000 0.818 143 L CB 2.070 44.138 42.059 0.014 0.000 1.284 143 L HN 0.090 nan 8.230 nan 0.000 0.424 144 Q N 0.262 120.067 119.800 0.009 0.000 2.382 144 Q HA 0.165 4.515 4.340 0.016 0.000 0.229 144 Q C 1.055 177.060 176.000 0.008 0.000 1.006 144 Q CA -0.087 55.721 55.803 0.008 0.000 0.916 144 Q CB 1.127 29.869 28.738 0.006 0.000 1.235 144 Q HN 0.597 nan 8.270 nan 0.000 0.512 145 S N 0.420 116.124 115.700 0.007 0.000 2.368 145 S HA -0.203 4.277 4.470 0.016 0.000 0.225 145 S C 1.097 175.701 174.600 0.007 0.000 1.030 145 S CA 1.568 59.773 58.200 0.008 0.000 0.999 145 S CB -0.173 63.031 63.200 0.007 0.000 0.844 145 S HN 0.674 nan 8.310 nan 0.000 0.459 146 D N 1.700 122.104 120.400 0.006 0.000 2.078 146 D HA -0.140 4.510 4.640 0.016 0.000 0.193 146 D C 1.833 178.137 176.300 0.006 0.000 0.990 146 D CA 1.247 55.250 54.000 0.005 0.000 0.827 146 D CB -0.218 40.584 40.800 0.004 0.000 0.975 146 D HN 0.614 nan 8.370 nan 0.000 0.451 147 E N -0.405 119.799 120.200 0.006 0.000 2.533 147 E HA -0.072 4.288 4.350 0.016 0.000 0.203 147 E C 2.038 178.643 176.600 0.009 0.000 1.101 147 E CA 0.514 56.918 56.400 0.007 0.000 0.894 147 E CB -0.527 29.177 29.700 0.007 0.000 0.843 147 E HN 0.394 nan 8.360 nan 0.000 0.552 148 L N 0.167 121.396 121.223 0.010 0.000 2.354 148 L HA 0.110 4.460 4.340 0.016 0.000 0.212 148 L C 2.531 179.408 176.870 0.012 0.000 1.091 148 L CA 1.424 56.271 54.840 0.012 0.000 0.828 148 L CB -0.896 41.171 42.059 0.013 0.000 0.973 148 L HN 0.160 nan 8.230 nan 0.000 0.461 149 S N 0.402 116.107 115.700 0.008 0.000 2.428 149 S HA 0.170 4.650 4.470 0.016 0.000 0.230 149 S C 2.091 176.693 174.600 0.003 0.000 1.014 149 S CA 1.062 59.266 58.200 0.006 0.000 0.957 149 S CB -0.280 62.922 63.200 0.003 0.000 0.784 149 S HN 0.954 nan 8.310 nan 0.000 0.499 150 A N 1.110 123.932 122.820 0.003 0.000 2.337 150 A HA 0.404 4.734 4.320 0.016 0.000 0.227 150 A C 0.560 178.145 177.584 0.002 0.000 1.259 150 A CA -0.268 51.770 52.037 0.001 0.000 0.870 150 A CB -0.154 18.846 19.000 0.001 0.000 0.927 150 A HN 0.229 nan 8.150 nan 0.000 0.497 151 V N 2.842 122.760 119.914 0.006 0.000 2.425 151 V HA 0.183 4.313 4.120 0.016 0.000 0.276 151 V C 0.845 176.943 176.094 0.005 0.000 1.017 151 V CA 0.702 63.008 62.300 0.010 0.000 1.062 151 V CB -0.105 31.729 31.823 0.018 0.000 0.997 151 V HN 0.611 nan 8.190 nan 0.000 0.476 152 T N 2.582 117.137 114.554 0.001 0.000 2.945 152 T HA 0.648 5.008 4.350 0.016 0.000 0.286 152 T C -0.161 174.536 174.700 -0.006 0.000 1.025 152 T CA -0.714 61.382 62.100 -0.007 0.000 1.039 152 T CB 1.957 70.816 68.868 -0.015 0.000 1.068 152 T HN 0.361 nan 8.240 nan 0.000 0.497 153 V N 1.110 121.016 119.914 -0.013 0.000 3.003 153 V HA 0.605 4.735 4.120 0.016 0.000 0.305 153 V C 0.112 176.185 176.094 -0.035 0.000 1.078 153 V CA -0.149 62.143 62.300 -0.014 0.000 1.083 153 V CB 1.642 33.457 31.823 -0.015 0.000 1.039 153 V HN 1.138 nan 8.190 nan 0.000 0.481 154 S N 3.504 119.181 115.700 -0.038 0.000 2.707 154 S HA 0.736 5.216 4.470 0.016 0.000 0.303 154 S C -0.121 174.426 174.600 -0.088 0.000 1.132 154 S CA 0.505 58.668 58.200 -0.061 0.000 1.046 154 S CB 0.339 63.515 63.200 -0.040 0.000 1.004 154 S HN 2.280 nan 8.310 nan 0.000 0.483 155 G N 4.181 112.883 108.800 -0.162 0.000 2.568 155 G HA2 -0.141 3.828 3.960 0.016 0.000 0.222 155 G HA3 -0.141 3.828 3.960 0.016 0.000 0.222 155 G C -0.751 173.954 174.900 -0.325 0.000 1.321 155 G CA -0.618 44.316 45.100 -0.278 0.000 0.893 155 G HN 0.889 nan 8.290 nan 0.000 0.569 156 H N -0.882 118.088 119.070 -0.167 0.000 2.679 156 H HA 0.469 5.025 4.556 -0.001 0.000 0.369 156 H C 0.205 175.515 175.328 -0.030 0.000 1.178 156 H CA 0.592 56.521 56.048 -0.198 0.000 1.419 156 H CB 1.179 30.704 29.762 -0.396 0.000 1.458 156 H HN 0.428 nan 8.280 nan 0.000 0.605 157 V N 3.114 123.105 119.914 0.129 0.000 2.448 157 V HA 0.010 4.140 4.120 0.016 0.000 0.295 157 V C -0.388 175.820 176.094 0.190 0.000 1.025 157 V CA -0.884 61.503 62.300 0.145 0.000 0.859 157 V CB 1.325 33.194 31.823 0.077 0.000 0.988 157 V HN 0.630 nan 8.190 nan 0.000 0.431 158 Y N 5.822 126.200 120.300 0.130 0.000 2.632 158 Y HA 0.111 4.674 4.550 0.022 0.000 0.329 158 Y C 1.198 177.122 175.900 0.040 0.000 1.174 158 Y CA 1.246 59.418 58.100 0.120 0.000 1.469 158 Y CB 0.071 38.591 38.460 0.100 0.000 1.242 158 Y HN 0.923 nan 8.280 nan 0.000 0.540 159 N N 3.436 121.655 118.700 -0.802 0.000 2.818 159 N HA -0.307 4.442 4.740 0.016 0.000 0.250 159 N C -0.278 175.060 175.510 -0.287 0.000 1.108 159 N CA 1.272 53.899 53.050 -0.705 0.000 0.745 159 N CB -1.874 36.146 38.487 -0.777 0.000 1.104 159 N HN 0.900 nan 8.380 nan 0.000 0.557 160 N N -0.852 117.764 118.700 -0.139 0.000 2.678 160 N HA -0.289 4.461 4.740 0.016 0.000 0.249 160 N C -0.493 174.986 175.510 -0.051 0.000 1.119 160 N CA 1.412 54.426 53.050 -0.059 0.000 0.718 160 N CB -0.494 37.960 38.487 -0.055 0.000 1.060 160 N HN 0.719 nan 8.380 nan 0.000 0.552 161 Q N 0.172 119.949 119.800 -0.037 0.000 2.352 161 Q HA 0.272 4.622 4.340 0.016 0.000 0.260 161 Q C -0.453 175.531 176.000 -0.027 0.000 0.976 161 Q CA -0.134 55.657 55.803 -0.020 0.000 0.881 161 Q CB 0.645 29.399 28.738 0.026 0.000 1.235 161 Q HN 0.277 nan 8.270 nan 0.000 0.419 162 S N 3.242 118.914 115.700 -0.046 0.000 2.560 162 S HA 0.155 4.635 4.470 0.016 0.000 0.284 162 S C 0.136 174.645 174.600 -0.151 0.000 1.327 162 S CA -0.214 57.940 58.200 -0.077 0.000 1.055 162 S CB 0.215 63.373 63.200 -0.070 0.000 0.868 162 S HN 0.462 nan 8.310 nan 0.000 0.506 163 I N 3.369 123.842 120.570 -0.162 0.000 2.396 163 I HA 0.217 4.397 4.170 0.016 0.000 0.292 163 I C 0.512 176.457 176.117 -0.286 0.000 0.999 163 I CA -0.318 60.824 61.300 -0.263 0.000 1.310 163 I CB 0.726 38.654 38.000 -0.120 0.000 1.404 163 I HN 0.454 nan 8.210 nan 0.000 0.496 164 N N 6.658 125.072 118.700 -0.476 0.000 2.558 164 N HA 0.266 5.016 4.740 0.016 0.000 0.242 164 N C 0.473 175.947 175.510 -0.059 0.000 0.979 164 N CA -0.325 52.594 53.050 -0.218 0.000 0.931 164 N CB 1.241 39.627 38.487 -0.168 0.000 1.122 164 N HN 0.600 nan 8.380 nan 0.000 0.508 165 L N 2.852 124.059 121.223 -0.026 0.000 2.642 165 L HA -0.070 4.280 4.340 0.016 0.000 0.236 165 L C 1.321 178.214 176.870 0.039 0.000 1.169 165 L CA 0.839 55.689 54.840 0.016 0.000 0.851 165 L CB -0.024 42.036 42.059 0.003 0.000 0.968 165 L HN 0.504 nan 8.230 nan 0.000 0.453 166 L N -1.903 119.349 121.223 0.048 0.000 2.638 166 L HA 0.167 4.517 4.340 0.016 0.000 0.232 166 L C 0.605 177.524 176.870 0.082 0.000 1.099 166 L CA -0.129 54.742 54.840 0.052 0.000 0.883 166 L CB 0.191 42.272 42.059 0.036 0.000 1.136 166 L HN 0.014 nan 8.230 nan 0.000 0.492 167 D N 0.998 121.491 120.400 0.154 0.000 2.352 167 D HA -0.003 4.647 4.640 0.016 0.000 0.245 167 D C 1.172 177.533 176.300 0.101 0.000 1.224 167 D CA 0.235 54.346 54.000 0.186 0.000 0.879 167 D CB 1.798 42.914 40.800 0.526 0.000 1.057 167 D HN -0.138 nan 8.370 nan 0.000 0.491 168 V N 5.263 125.203 119.914 0.043 0.000 2.439 168 V HA -0.271 3.859 4.120 0.016 0.000 0.253 168 V C 2.047 178.141 176.094 -0.001 0.000 1.074 168 V CA 1.819 64.133 62.300 0.023 0.000 1.076 168 V CB -0.193 31.637 31.823 0.012 0.000 0.664 168 V HN 0.610 nan 8.190 nan 0.000 0.461 169 L N -0.887 120.302 121.223 -0.057 0.000 2.217 169 L HA -0.072 4.278 4.340 0.016 0.000 0.211 169 L C 2.576 179.368 176.870 -0.130 0.000 1.107 169 L CA 1.305 56.076 54.840 -0.114 0.000 0.783 169 L CB -0.867 41.086 42.059 -0.176 0.000 0.919 169 L HN 0.410 nan 8.230 nan 0.000 0.442 170 H N -0.177 118.906 119.070 0.022 0.000 2.363 170 H HA -0.044 4.522 4.556 0.017 0.000 0.301 170 H C 2.412 177.753 175.328 0.020 0.000 1.074 170 H CA 1.143 57.205 56.048 0.023 0.000 1.354 170 H CB 0.195 29.970 29.762 0.021 0.000 1.397 170 H HN 0.180 nan 8.280 nan 0.000 0.516 171 I N 1.266 121.917 120.570 0.135 0.000 2.151 171 I HA -0.273 3.906 4.170 0.016 0.000 0.243 171 I C 2.461 178.611 176.117 0.054 0.000 1.080 171 I CA 1.255 62.603 61.300 0.080 0.000 1.339 171 I CB -0.633 37.403 38.000 0.060 0.000 1.039 171 I HN 0.214 nan 8.210 nan 0.000 0.409 172 R N 0.312 120.835 120.500 0.039 0.000 2.062 172 R HA -0.087 4.263 4.340 0.016 0.000 0.231 172 R C 2.396 178.717 176.300 0.034 0.000 1.136 172 R CA 1.003 57.121 56.100 0.029 0.000 0.948 172 R CB -0.454 29.856 30.300 0.016 0.000 0.845 172 R HN 0.279 nan 8.270 nan 0.000 0.430 173 L N 0.996 122.241 121.223 0.036 0.000 2.081 173 L HA -0.236 4.114 4.340 0.016 0.000 0.212 173 L C 2.367 179.268 176.870 0.051 0.000 1.080 173 L CA 1.317 56.184 54.840 0.045 0.000 0.754 173 L CB -0.609 41.480 42.059 0.051 0.000 0.893 173 L HN 0.234 nan 8.230 nan 0.000 0.433 174 L N -1.314 119.944 121.223 0.059 0.000 2.056 174 L HA -0.160 4.190 4.340 0.016 0.000 0.207 174 L C 2.538 179.427 176.870 0.032 0.000 1.078 174 L CA 0.713 55.580 54.840 0.045 0.000 0.749 174 L CB -0.762 41.323 42.059 0.043 0.000 0.901 174 L HN 0.056 nan 8.230 nan 0.000 0.433 175 V N 0.748 120.682 119.914 0.034 0.000 2.407 175 V HA -0.190 3.940 4.120 0.016 0.000 0.248 175 V C 2.737 178.848 176.094 0.029 0.000 1.055 175 V CA 1.900 64.218 62.300 0.030 0.000 1.049 175 V CB -1.365 30.477 31.823 0.032 0.000 0.662 175 V HN 0.564 nan 8.190 nan 0.000 0.455 176 G N 0.770 109.587 108.800 0.029 0.000 2.529 176 G HA2 -0.359 3.611 3.960 0.016 0.000 0.219 176 G HA3 -0.359 3.611 3.960 0.016 0.000 0.219 176 G C 1.839 176.746 174.900 0.011 0.000 1.177 176 G CA 1.712 46.826 45.100 0.023 0.000 0.773 176 G HN 0.672 nan 8.290 nan 0.000 0.573 177 S N -0.289 115.420 115.700 0.015 0.000 2.453 177 S HA -0.037 4.443 4.470 0.016 0.000 0.231 177 S C 2.147 176.743 174.600 -0.007 0.000 1.005 177 S CA 1.378 59.580 58.200 0.004 0.000 0.949 177 S CB -0.223 62.984 63.200 0.013 0.000 0.774 177 S HN 0.558 nan 8.310 nan 0.000 0.510 178 Q N 0.371 120.174 119.800 0.004 0.000 2.084 178 Q HA -0.020 4.330 4.340 0.016 0.000 0.202 178 Q C 2.015 178.022 176.000 0.012 0.000 0.978 178 Q CA 1.389 57.197 55.803 0.009 0.000 0.844 178 Q CB -0.273 28.478 28.738 0.021 0.000 0.898 178 Q HN 0.512 nan 8.270 nan 0.000 0.426 179 I N 0.574 121.150 120.570 0.010 0.000 2.179 179 I HA -0.233 3.947 4.170 0.016 0.000 0.242 179 I C 2.387 178.442 176.117 -0.104 0.000 1.088 179 I CA 1.367 62.663 61.300 -0.005 0.000 1.357 179 I CB -1.653 36.345 38.000 -0.004 0.000 1.051 179 I HN 0.124 nan 8.210 nan 0.000 0.409 180 A N 1.148 123.912 122.820 -0.093 0.000 1.908 180 A HA -0.157 4.173 4.320 0.016 0.000 0.218 180 A C 2.550 180.068 177.584 -0.110 0.000 1.181 180 A CA 2.263 54.224 52.037 -0.127 0.000 0.627 180 A CB -0.892 18.063 19.000 -0.076 0.000 0.818 180 A HN 0.436 nan 8.150 nan 0.000 0.445 181 A N -0.598 122.186 122.820 -0.061 0.000 2.019 181 A HA -0.146 4.184 4.320 0.016 0.000 0.219 181 A C 1.887 179.459 177.584 -0.020 0.000 1.164 181 A CA 1.726 53.739 52.037 -0.041 0.000 0.644 181 A CB -0.418 18.565 19.000 -0.029 0.000 0.805 181 A HN 0.670 nan 8.150 nan 0.000 0.449 182 E N -0.698 119.496 120.200 -0.010 0.000 2.051 182 E HA -0.094 4.266 4.350 0.016 0.000 0.189 182 E C 2.096 178.722 176.600 0.043 0.000 0.979 182 E CA 1.178 57.625 56.400 0.078 0.000 0.803 182 E CB -0.240 29.584 29.700 0.206 0.000 0.761 182 E HN 0.644 nan 8.360 nan 0.000 0.451 183 M N 0.371 119.801 119.600 -0.283 0.000 2.073 183 M HA -0.233 4.257 4.480 0.016 0.000 0.258 183 M C 2.339 178.570 176.300 -0.114 0.000 1.070 183 M CA 1.680 56.716 55.300 -0.440 0.000 1.103 183 M CB -0.388 31.829 32.600 -0.638 0.000 1.321 183 M HN 0.018 nan 8.290 nan 0.000 0.405 184 R N -0.125 120.323 120.500 -0.087 0.000 2.083 184 R HA -0.136 4.213 4.340 0.016 0.000 0.237 184 R C 2.227 178.560 176.300 0.055 0.000 1.137 184 R CA 1.172 57.262 56.100 -0.018 0.000 0.951 184 R CB -0.488 29.789 30.300 -0.038 0.000 0.851 184 R HN 0.355 nan 8.270 nan 0.000 0.434 185 E N 0.613 120.850 120.200 0.062 0.000 2.097 185 E HA -0.184 4.175 4.350 0.016 0.000 0.196 185 E C 1.896 178.590 176.600 0.157 0.000 1.000 185 E CA 1.610 58.078 56.400 0.113 0.000 0.804 185 E CB -0.145 29.612 29.700 0.095 0.000 0.740 185 E HN 0.350 nan 8.360 nan 0.000 0.454 186 A N 0.555 123.468 122.820 0.154 0.000 1.872 186 A HA -0.108 4.222 4.320 0.016 0.000 0.214 186 A C 2.310 179.978 177.584 0.141 0.000 1.187 186 A CA 1.416 53.554 52.037 0.169 0.000 0.614 186 A CB -0.494 18.668 19.000 0.270 0.000 0.826 186 A HN 0.198 nan 8.150 nan 0.000 0.442 187 M N -2.143 117.535 119.600 0.130 0.000 2.195 187 M HA -0.201 4.289 4.480 0.016 0.000 0.260 187 M C 2.192 178.581 176.300 0.149 0.000 1.066 187 M CA 1.982 57.352 55.300 0.117 0.000 1.089 187 M CB -0.429 32.225 32.600 0.090 0.000 1.377 187 M HN 0.643 nan 8.290 nan 0.000 0.411 188 Y N 0.802 121.128 120.300 0.043 0.000 2.231 188 Y HA -0.072 4.491 4.550 0.022 0.000 0.294 188 Y C 1.788 177.714 175.900 0.042 0.000 1.120 188 Y CA 1.644 59.768 58.100 0.040 0.000 1.141 188 Y CB -0.313 38.164 38.460 0.028 0.000 1.022 188 Y HN 0.275 nan 8.280 nan 0.000 0.523 189 N N -0.591 118.126 118.700 0.029 0.000 2.244 189 N HA -0.171 4.579 4.740 0.016 0.000 0.183 189 N C 1.580 177.049 175.510 -0.067 0.000 1.016 189 N CA 1.288 54.310 53.050 -0.047 0.000 0.866 189 N CB -0.093 38.419 38.487 0.041 0.000 0.980 189 N HN 0.502 nan 8.380 nan 0.000 0.430 190 Q N -0.111 119.680 119.800 -0.015 0.000 2.349 190 Q HA 0.178 4.528 4.340 0.016 0.000 0.209 190 Q C 1.082 177.076 176.000 -0.011 0.000 0.920 190 Q CA 0.614 56.416 55.803 -0.002 0.000 0.901 190 Q CB 0.606 29.367 28.738 0.038 0.000 1.021 190 Q HN 0.363 nan 8.270 nan 0.000 0.519 191 L N -1.734 119.482 121.223 -0.011 0.000 2.966 191 L HA 0.403 4.753 4.340 0.016 0.000 0.262 191 L C 0.860 177.709 176.870 -0.035 0.000 1.165 191 L CA 0.092 54.934 54.840 0.004 0.000 0.978 191 L CB 0.896 42.994 42.059 0.065 0.000 1.337 191 L HN 0.194 nan 8.230 nan 0.000 0.563 192 G N 1.384 110.080 108.800 -0.174 0.000 2.203 192 G HA2 -0.285 3.685 3.960 0.016 0.000 0.263 192 G HA3 -0.285 3.685 3.960 0.016 0.000 0.263 192 G C -0.002 174.905 174.900 0.013 0.000 1.012 192 G CA 0.319 45.245 45.100 -0.291 0.000 0.749 192 G HN 0.252 nan 8.290 nan 0.000 0.512 193 L N 0.822 122.135 121.223 0.149 0.000 2.325 193 L HA 0.721 5.070 4.340 0.016 0.000 0.278 193 L C 0.948 178.015 176.870 0.328 0.000 1.023 193 L CA -0.349 54.640 54.840 0.248 0.000 0.811 193 L CB 2.021 44.202 42.059 0.204 0.000 1.249 193 L HN 0.333 nan 8.230 nan 0.000 0.431 194 T N -0.755 113.941 114.554 0.237 0.000 2.940 194 T HA 0.934 5.294 4.350 0.016 0.000 0.288 194 T C -0.054 174.685 174.700 0.065 0.000 1.033 194 T CA -0.295 61.869 62.100 0.107 0.000 1.033 194 T CB 2.302 71.169 68.868 -0.001 0.000 1.079 194 T HN 0.845 nan 8.240 nan 0.000 0.496 195 G N -0.710 108.094 108.800 0.007 0.000 2.428 195 G HA2 0.496 4.466 3.960 0.016 0.000 0.305 195 G HA3 0.496 4.466 3.960 0.016 0.000 0.305 195 G C -1.477 173.400 174.900 -0.039 0.000 1.260 195 G CA -0.432 44.661 45.100 -0.012 0.000 0.853 195 G HN 1.001 nan 8.290 nan 0.000 0.480 196 C N -0.351 118.915 119.300 -0.056 0.000 2.667 196 C HA 1.004 5.474 4.460 0.016 0.000 0.323 196 C C 0.542 175.479 174.990 -0.088 0.000 1.214 196 C CA 0.247 59.239 59.018 -0.044 0.000 1.721 196 C CB 1.038 28.775 27.740 -0.005 0.000 2.275 196 C HN 1.311 nan 8.230 nan 0.000 0.491 197 A N 0.584 123.378 122.820 -0.044 0.000 2.454 197 A HA 0.951 5.281 4.320 0.016 0.000 0.302 197 A C -0.508 177.091 177.584 0.025 0.000 1.079 197 A CA -0.236 51.767 52.037 -0.057 0.000 0.731 197 A CB 1.372 20.334 19.000 -0.063 0.000 1.299 197 A HN 1.361 nan 8.150 nan 0.000 0.413 198 G N -0.093 108.738 108.800 0.052 0.000 2.643 198 G HA2 0.574 4.544 3.960 0.016 0.000 0.305 198 G HA3 0.574 4.544 3.960 0.016 0.000 0.305 198 G C -1.258 173.690 174.900 0.080 0.000 1.387 198 G CA -0.380 44.776 45.100 0.093 0.000 0.982 198 G HN 0.872 nan 8.290 nan 0.000 0.501 199 V N 0.853 120.809 119.914 0.071 0.000 2.547 199 V HA 0.938 5.068 4.120 0.016 0.000 0.299 199 V C 0.507 176.639 176.094 0.063 0.000 1.040 199 V CA 0.218 62.556 62.300 0.062 0.000 0.913 199 V CB 0.943 32.795 31.823 0.049 0.000 0.992 199 V HN 1.424 nan 8.190 nan 0.000 0.449 200 A N 2.713 125.567 122.820 0.057 0.000 2.438 200 A HA 0.625 4.955 4.320 0.016 0.000 0.301 200 A C 0.394 177.999 177.584 0.034 0.000 1.101 200 A CA 0.251 52.312 52.037 0.040 0.000 0.621 200 A CB 0.551 19.568 19.000 0.029 0.000 1.350 200 A HN 1.150 nan 8.150 nan 0.000 0.496 201 S N -0.155 115.555 115.700 0.018 0.000 2.548 201 S HA 0.246 4.725 4.470 0.016 0.000 0.215 201 S C 0.368 174.973 174.600 0.007 0.000 0.976 201 S CA 0.942 59.148 58.200 0.010 0.000 0.908 201 S CB -0.593 62.605 63.200 -0.004 0.000 0.781 201 S HN 1.636 nan 8.310 nan 0.000 0.519 202 N N 0.133 118.839 118.700 0.010 0.000 2.934 202 N HA 0.341 5.090 4.740 0.016 0.000 0.253 202 N C -0.148 175.366 175.510 0.007 0.000 1.466 202 N CA -0.995 52.052 53.050 -0.005 0.000 0.858 202 N CB 0.777 39.248 38.487 -0.025 0.000 1.459 202 N HN -0.145 nan 8.380 nan 0.000 0.532 203 K N -0.514 119.849 120.400 -0.061 0.000 2.026 203 K HA -0.096 4.233 4.320 0.016 0.000 0.208 203 K C 1.543 178.149 176.600 0.010 0.000 1.048 203 K CA 1.312 57.535 56.287 -0.107 0.000 0.929 203 K CB -0.398 31.744 32.500 -0.598 0.000 0.713 203 K HN 0.396 nan 8.250 nan 0.000 0.439 204 L N 1.842 123.029 121.223 -0.060 0.000 1.963 204 L HA -0.235 4.114 4.340 0.016 0.000 0.220 204 L C 2.074 178.928 176.870 -0.026 0.000 1.076 204 L CA 1.727 56.542 54.840 -0.041 0.000 0.772 204 L CB -0.661 41.367 42.059 -0.051 0.000 0.892 204 L HN 0.152 nan 8.230 nan 0.000 0.435 205 L N -0.726 120.482 121.223 -0.025 0.000 2.042 205 L HA -0.236 4.114 4.340 0.016 0.000 0.210 205 L C 2.674 179.535 176.870 -0.015 0.000 1.076 205 L CA 1.327 56.144 54.840 -0.037 0.000 0.749 205 L CB -1.028 41.010 42.059 -0.034 0.000 0.893 205 L HN 0.471 nan 8.230 nan 0.000 0.432 206 A N 0.074 122.921 122.820 0.045 0.000 1.908 206 A HA -0.269 4.061 4.320 0.016 0.000 0.218 206 A C 2.416 180.018 177.584 0.030 0.000 1.181 206 A CA 2.074 54.165 52.037 0.090 0.000 0.627 206 A CB -0.469 18.647 19.000 0.193 0.000 0.818 206 A HN 0.360 nan 8.150 nan 0.000 0.445 207 K N -0.347 120.002 120.400 -0.086 0.000 2.097 207 K HA -0.020 4.310 4.320 0.016 0.000 0.205 207 K C 1.795 178.290 176.600 -0.175 0.000 1.050 207 K CA 1.160 57.167 56.287 -0.466 0.000 0.938 207 K CB -0.265 32.002 32.500 -0.388 0.000 0.718 207 K HN 0.498 nan 8.250 nan 0.000 0.442 208 L N 0.193 121.362 121.223 -0.091 0.000 2.156 208 L HA -0.094 4.256 4.340 0.016 0.000 0.208 208 L C 2.252 179.092 176.870 -0.050 0.000 1.095 208 L CA 0.514 55.312 54.840 -0.070 0.000 0.770 208 L CB -0.120 41.883 42.059 -0.093 0.000 0.914 208 L HN 0.069 nan 8.230 nan 0.000 0.439 209 V N -0.804 119.091 119.914 -0.033 0.000 3.608 209 V HA -0.082 4.047 4.120 0.016 0.000 0.269 209 V C 2.366 178.517 176.094 0.095 0.000 1.245 209 V CA 1.204 63.505 62.300 0.001 0.000 1.138 209 V CB 0.238 32.053 31.823 -0.013 0.000 0.841 209 V HN 0.576 nan 8.190 nan 0.000 0.451 210 S N -0.232 115.533 115.700 0.107 0.000 2.414 210 S HA 0.014 4.494 4.470 0.016 0.000 0.227 210 S C 1.955 176.622 174.600 0.112 0.000 1.022 210 S CA 1.056 59.339 58.200 0.137 0.000 0.958 210 S CB -0.441 62.900 63.200 0.234 0.000 0.797 210 S HN 0.567 nan 8.310 nan 0.000 0.493 211 G N 1.008 109.860 108.800 0.087 0.000 2.650 211 G HA2 0.077 4.047 3.960 0.016 0.000 0.214 211 G HA3 0.077 4.047 3.960 0.016 0.000 0.214 211 G C 1.251 176.161 174.900 0.017 0.000 1.136 211 G CA 0.518 45.651 45.100 0.056 0.000 0.789 211 G HN 0.430 nan 8.290 nan 0.000 0.536 212 V N 0.099 120.028 119.914 0.025 0.000 2.287 212 V HA -0.023 4.107 4.120 0.016 0.000 0.248 212 V C 0.713 176.565 176.094 -0.404 0.000 1.053 212 V CA 1.143 63.368 62.300 -0.124 0.000 1.027 212 V CB -0.482 31.357 31.823 0.026 0.000 0.646 212 V HN 0.261 nan 8.190 nan 0.000 0.447 213 F N 0.014 119.930 119.950 -0.057 0.000 2.427 213 F HA 0.590 5.119 4.527 0.003 0.000 0.348 213 F C 0.120 175.893 175.800 -0.044 0.000 1.125 213 F CA -0.584 57.346 58.000 -0.117 0.000 0.989 213 F CB 1.189 39.993 39.000 -0.327 0.000 1.165 213 F HN -0.161 nan 8.300 nan 0.000 0.442 214 K N 3.670 124.122 120.400 0.088 0.000 2.328 214 K HA 0.478 4.808 4.320 0.016 0.000 0.246 214 K C -1.943 174.610 176.600 -0.078 0.000 0.955 214 K CA -1.652 54.641 56.287 0.009 0.000 0.817 214 K CB 2.345 34.873 32.500 0.047 0.000 1.208 214 K HN 0.211 nan 8.250 nan 0.000 0.432 215 P HA 0.068 nan 4.420 nan 0.000 0.244 215 P C -0.272 176.910 177.300 -0.196 0.000 1.191 215 P CA 0.523 63.387 63.100 -0.394 0.000 0.829 215 P CB 0.338 31.401 31.700 -1.061 0.000 1.008 216 N N 0.423 119.043 118.700 -0.135 0.000 2.735 216 N HA 0.178 4.928 4.740 0.016 0.000 0.312 216 N C -0.695 174.787 175.510 -0.048 0.000 1.843 216 N CA -0.121 52.871 53.050 -0.096 0.000 0.945 216 N CB 0.111 38.521 38.487 -0.128 0.000 1.299 216 N HN 0.029 nan 8.380 nan 0.000 0.489 217 Q N -0.303 119.501 119.800 0.007 0.000 2.553 217 Q HA 0.435 4.785 4.340 0.016 0.000 0.293 217 Q C -1.276 174.783 176.000 0.098 0.000 1.038 217 Q CA -0.896 54.950 55.803 0.072 0.000 0.777 217 Q CB 2.604 31.459 28.738 0.194 0.000 1.487 217 Q HN 0.451 nan 8.270 nan 0.000 0.426 218 Q N -0.540 119.337 119.800 0.128 0.000 2.456 218 Q HA 0.778 5.128 4.340 0.016 0.000 0.284 218 Q C -1.460 174.661 176.000 0.202 0.000 1.061 218 Q CA -0.803 55.075 55.803 0.125 0.000 0.799 218 Q CB 2.493 31.252 28.738 0.034 0.000 1.445 218 Q HN 0.488 nan 8.270 nan 0.000 0.411 219 T N 0.845 115.520 114.554 0.201 0.000 2.912 219 T HA 0.486 4.845 4.350 0.016 0.000 0.299 219 T C -1.420 173.385 174.700 0.176 0.000 1.052 219 T CA -0.660 61.593 62.100 0.255 0.000 0.996 219 T CB 1.876 70.976 68.868 0.386 0.000 1.070 219 T HN 0.503 nan 8.240 nan 0.000 0.465 220 V N 3.701 123.716 119.914 0.168 0.000 2.513 220 V HA 0.771 4.901 4.120 0.016 0.000 0.299 220 V C -1.108 175.090 176.094 0.173 0.000 1.035 220 V CA -1.010 61.371 62.300 0.135 0.000 0.889 220 V CB 1.499 33.381 31.823 0.099 0.000 0.988 220 V HN 0.783 nan 8.190 nan 0.000 0.440 221 L N 7.435 128.736 121.223 0.130 0.000 2.280 221 L HA 0.578 4.928 4.340 0.016 0.000 0.287 221 L C -0.670 176.268 176.870 0.114 0.000 1.023 221 L CA 0.114 55.031 54.840 0.129 0.000 0.819 221 L CB 1.087 43.154 42.059 0.014 0.000 1.212 221 L HN 0.632 nan 8.230 nan 0.000 0.420 222 L N 7.216 128.537 121.223 0.163 0.000 2.395 222 L HA 0.358 4.707 4.340 0.016 0.000 0.269 222 L C -1.250 175.683 176.870 0.106 0.000 1.133 222 L CA -1.634 53.301 54.840 0.158 0.000 0.812 222 L CB 0.600 42.839 42.059 0.299 0.000 1.125 222 L HN 0.488 nan 8.230 nan 0.000 0.452 223 P HA -0.177 nan 4.420 nan 0.000 0.217 223 P C 0.771 178.112 177.300 0.068 0.000 1.148 223 P CA 1.089 64.200 63.100 0.019 0.000 0.828 223 P CB 0.252 31.928 31.700 -0.041 0.000 0.783 224 E N -1.165 119.099 120.200 0.107 0.000 2.338 224 E HA -0.035 4.325 4.350 0.016 0.000 0.197 224 E C 1.357 178.043 176.600 0.143 0.000 1.007 224 E CA 0.871 57.343 56.400 0.121 0.000 0.849 224 E CB -0.752 29.031 29.700 0.139 0.000 0.774 224 E HN 0.144 nan 8.360 nan 0.000 0.506 225 S N -0.625 115.177 115.700 0.170 0.000 2.572 225 S HA 0.027 4.507 4.470 0.016 0.000 0.228 225 S C 1.446 176.175 174.600 0.215 0.000 0.963 225 S CA -0.257 58.089 58.200 0.243 0.000 0.939 225 S CB -0.170 63.243 63.200 0.354 0.000 0.804 225 S HN 0.516 nan 8.310 nan 0.000 0.480 226 C N 1.965 121.340 119.300 0.125 0.000 2.429 226 C HA -0.106 4.364 4.460 0.016 0.000 0.277 226 C C 2.549 177.593 174.990 0.091 0.000 1.262 226 C CA 1.056 60.111 59.018 0.063 0.000 1.733 226 C CB -0.800 26.969 27.740 0.048 0.000 2.010 226 C HN 0.467 nan 8.230 nan 0.000 0.483 227 Q N -0.271 119.626 119.800 0.161 0.000 2.167 227 Q HA -0.134 4.215 4.340 0.016 0.000 0.202 227 Q C 2.098 178.257 176.000 0.265 0.000 0.970 227 Q CA 1.537 57.471 55.803 0.218 0.000 0.855 227 Q CB -0.895 28.001 28.738 0.264 0.000 0.911 227 Q HN 0.830 nan 8.270 nan 0.000 0.438 228 H N 0.653 119.843 119.070 0.200 0.000 2.326 228 H HA -0.089 4.477 4.556 0.017 0.000 0.301 228 H C 2.049 177.522 175.328 0.242 0.000 1.081 228 H CA 1.230 57.426 56.048 0.245 0.000 1.334 228 H CB -0.064 29.875 29.762 0.295 0.000 1.385 228 H HN 0.167 nan 8.280 nan 0.000 0.504 229 L N 0.886 122.286 121.223 0.295 0.000 1.956 229 L HA -0.194 4.156 4.340 0.016 0.000 0.216 229 L C 2.687 179.532 176.870 -0.042 0.000 1.073 229 L CA 1.687 56.491 54.840 -0.060 0.000 0.762 229 L CB -1.167 40.617 42.059 -0.459 0.000 0.889 229 L HN 0.264 nan 8.230 nan 0.000 0.433 230 I N -0.689 119.833 120.570 -0.080 0.000 2.194 230 I HA -0.335 3.845 4.170 0.016 0.000 0.246 230 I C 2.322 178.308 176.117 -0.218 0.000 1.093 230 I CA 1.686 62.883 61.300 -0.171 0.000 1.355 230 I CB -0.515 37.349 38.000 -0.225 0.000 1.046 230 I HN 0.408 nan 8.210 nan 0.000 0.413 231 H N -0.940 118.088 119.070 -0.071 0.000 2.547 231 H HA 0.150 4.716 4.556 0.015 0.000 0.266 231 H C 2.300 177.553 175.328 -0.126 0.000 0.988 231 H CA 0.974 56.961 56.048 -0.102 0.000 1.147 231 H CB 0.035 29.735 29.762 -0.102 0.000 1.365 231 H HN 0.427 nan 8.280 nan 0.000 0.589 232 S N 0.330 116.016 115.700 -0.023 0.000 2.461 232 S HA 0.011 4.490 4.470 0.016 0.000 0.228 232 S C 1.073 175.646 174.600 -0.046 0.000 1.005 232 S CA -0.182 57.994 58.200 -0.041 0.000 0.942 232 S CB -0.453 62.763 63.200 0.026 0.000 0.776 232 S HN 0.140 nan 8.310 nan 0.000 0.514 233 L N 2.644 123.832 121.223 -0.058 0.000 2.514 233 L HA 0.144 4.494 4.340 0.016 0.000 0.280 233 L C 1.317 178.119 176.870 -0.114 0.000 1.223 233 L CA -0.341 54.454 54.840 -0.075 0.000 0.864 233 L CB 0.030 42.043 42.059 -0.078 0.000 1.118 233 L HN 0.224 nan 8.230 nan 0.000 0.494 234 N N 0.299 118.891 118.700 -0.181 0.000 2.402 234 N HA 0.032 4.782 4.740 0.016 0.000 0.174 234 N C 0.109 175.346 175.510 -0.455 0.000 1.027 234 N CA 0.661 53.501 53.050 -0.350 0.000 0.891 234 N CB 0.405 38.594 38.487 -0.496 0.000 1.016 234 N HN 0.564 nan 8.380 nan 0.000 0.439 235 H N 0.148 119.191 119.070 -0.045 0.000 2.637 235 H HA 0.229 4.795 4.556 0.016 0.000 0.363 235 H C 1.447 176.737 175.328 -0.063 0.000 1.131 235 H CA -0.497 55.520 56.048 -0.052 0.000 1.183 235 H CB 2.177 31.916 29.762 -0.039 0.000 1.637 235 H HN -0.083 nan 8.280 nan 0.000 0.531 236 I N -0.726 119.868 120.570 0.040 0.000 2.454 236 I HA -0.156 4.023 4.170 0.016 0.000 0.254 236 I C 2.153 178.264 176.117 -0.010 0.000 1.156 236 I CA 0.972 62.259 61.300 -0.022 0.000 1.433 236 I CB -0.185 37.779 38.000 -0.059 0.000 1.082 236 I HN 0.220 nan 8.210 nan 0.000 0.432 237 K N 1.783 122.191 120.400 0.013 0.000 2.362 237 K HA -0.194 4.136 4.320 0.016 0.000 0.202 237 K C 1.507 178.116 176.600 0.015 0.000 1.045 237 K CA 1.558 57.848 56.287 0.004 0.000 0.936 237 K CB -0.090 32.406 32.500 -0.008 0.000 0.747 237 K HN 0.605 nan 8.250 nan 0.000 0.467 238 E N -0.108 120.109 120.200 0.028 0.000 2.478 238 E HA 0.066 4.425 4.350 0.016 0.000 0.194 238 E C 0.122 176.713 176.600 -0.015 0.000 1.045 238 E CA -0.116 56.293 56.400 0.015 0.000 0.868 238 E CB 0.252 29.968 29.700 0.027 0.000 0.885 238 E HN 0.239 nan 8.360 nan 0.000 0.505 239 I N 3.525 124.079 120.570 -0.027 0.000 2.452 239 I HA 0.068 4.248 4.170 0.016 0.000 0.287 239 I C -2.187 173.912 176.117 -0.030 0.000 1.079 239 I CA -2.196 59.080 61.300 -0.041 0.000 1.387 239 I CB 0.349 38.315 38.000 -0.057 0.000 1.404 239 I HN -0.284 nan 8.210 nan 0.000 0.522 240 P HA 0.064 nan 4.420 nan 0.000 0.259 240 P C 0.783 178.068 177.300 -0.025 0.000 1.211 240 P CA 0.611 63.699 63.100 -0.020 0.000 0.810 240 P CB 0.510 32.201 31.700 -0.016 0.000 0.815 241 G N 3.204 111.992 108.800 -0.020 0.000 3.006 241 G HA2 -0.134 3.835 3.960 0.016 0.000 0.195 241 G HA3 -0.134 3.835 3.960 0.016 0.000 0.195 241 G C -0.150 174.737 174.900 -0.021 0.000 1.034 241 G CA -0.509 44.577 45.100 -0.023 0.000 0.807 241 G HN 0.432 nan 8.290 nan 0.000 0.469 242 I N 2.835 123.391 120.570 -0.024 0.000 2.304 242 I HA 0.573 4.753 4.170 0.016 0.000 0.291 242 I C 1.271 177.378 176.117 -0.017 0.000 1.018 242 I CA -0.206 61.077 61.300 -0.027 0.000 1.260 242 I CB 1.416 39.394 38.000 -0.038 0.000 1.390 242 I HN 0.208 nan 8.210 nan 0.000 0.475 243 G N 3.710 112.502 108.800 -0.013 0.000 2.509 243 G HA2 0.041 4.011 3.960 0.016 0.000 0.269 243 G HA3 0.041 4.011 3.960 0.016 0.000 0.269 243 G C 0.256 175.173 174.900 0.029 0.000 1.416 243 G CA -0.061 45.047 45.100 0.014 0.000 1.052 243 G HN 0.601 nan 8.290 nan 0.000 0.542 244 Y N 0.702 120.970 120.300 -0.053 0.000 2.130 244 Y HA 0.011 4.571 4.550 0.016 0.000 0.287 244 Y C 3.160 179.028 175.900 -0.055 0.000 1.124 244 Y CA 3.231 61.296 58.100 -0.058 0.000 1.118 244 Y CB -0.643 37.780 38.460 -0.061 0.000 0.994 244 Y HN 0.481 nan 8.280 nan 0.000 0.497 245 K N 0.037 120.372 120.400 -0.108 0.000 1.991 245 K HA -0.173 4.157 4.320 0.016 0.000 0.212 245 K C 2.034 178.523 176.600 -0.184 0.000 1.049 245 K CA 2.458 58.631 56.287 -0.190 0.000 0.932 245 K CB -1.880 30.595 32.500 -0.040 0.000 0.717 245 K HN 0.546 nan 8.250 nan 0.000 0.441 246 T N 0.593 115.083 114.554 -0.108 0.000 2.597 246 T HA -0.158 4.202 4.350 0.016 0.000 0.267 246 T C 2.284 176.909 174.700 -0.125 0.000 1.053 246 T CA 2.396 64.440 62.100 -0.092 0.000 1.165 246 T CB -0.807 68.026 68.868 -0.059 0.000 0.863 246 T HN 0.738 nan 8.240 nan 0.000 0.427 247 A N 1.743 124.478 122.820 -0.142 0.000 1.859 247 A HA -0.153 4.177 4.320 0.016 0.000 0.218 247 A C 2.575 180.046 177.584 -0.187 0.000 1.209 247 A CA 3.263 55.211 52.037 -0.148 0.000 0.639 247 A CB -1.408 17.508 19.000 -0.139 0.000 0.835 247 A HN 0.598 nan 8.150 nan 0.000 0.450 248 K N -1.276 118.950 120.400 -0.289 0.000 2.211 248 K HA -0.142 4.188 4.320 0.016 0.000 0.204 248 K C 2.017 178.504 176.600 -0.187 0.000 1.047 248 K CA 1.742 57.864 56.287 -0.276 0.000 0.935 248 K CB -1.846 30.397 32.500 -0.428 0.000 0.728 248 K HN 0.640 nan 8.250 nan 0.000 0.452 249 C N 0.011 119.210 119.300 -0.168 0.000 2.440 249 C HA 0.104 4.573 4.460 0.016 0.000 0.278 249 C C 2.584 177.518 174.990 -0.093 0.000 1.295 249 C CA 0.817 59.769 59.018 -0.110 0.000 1.738 249 C CB -0.747 26.940 27.740 -0.089 0.000 1.987 249 C HN 0.667 nan 8.230 nan 0.000 0.492 250 L N 0.109 121.267 121.223 -0.109 0.000 2.095 250 L HA -0.085 4.265 4.340 0.016 0.000 0.204 250 L C 2.573 179.358 176.870 -0.142 0.000 1.080 250 L CA 1.331 56.096 54.840 -0.124 0.000 0.759 250 L CB -0.735 41.242 42.059 -0.136 0.000 0.914 250 L HN 0.358 nan 8.230 nan 0.000 0.439 251 E N 0.425 120.547 120.200 -0.130 0.000 2.114 251 E HA -0.307 4.053 4.350 0.016 0.000 0.199 251 E C 2.276 178.817 176.600 -0.098 0.000 1.008 251 E CA 1.363 57.695 56.400 -0.114 0.000 0.810 251 E CB -0.246 29.391 29.700 -0.105 0.000 0.739 251 E HN 0.516 nan 8.360 nan 0.000 0.456 252 A N 0.817 123.583 122.820 -0.089 0.000 1.917 252 A HA -0.201 4.129 4.320 0.016 0.000 0.219 252 A C 2.087 179.639 177.584 -0.052 0.000 1.182 252 A CA 1.460 53.459 52.037 -0.064 0.000 0.633 252 A CB -0.528 18.438 19.000 -0.057 0.000 0.819 252 A HN 0.148 nan 8.150 nan 0.000 0.448 253 L N -1.360 119.824 121.223 -0.065 0.000 2.554 253 L HA 0.276 4.626 4.340 0.016 0.000 0.226 253 L C 1.382 178.201 176.870 -0.084 0.000 1.137 253 L CA 0.903 55.719 54.840 -0.040 0.000 0.863 253 L CB -0.159 41.902 42.059 0.003 0.000 0.985 253 L HN 0.587 nan 8.230 nan 0.000 0.451 254 G N 0.755 109.476 108.800 -0.132 0.000 2.356 254 G HA2 -0.198 3.771 3.960 0.016 0.000 0.233 254 G HA3 -0.198 3.771 3.960 0.016 0.000 0.233 254 G C -0.248 174.499 174.900 -0.254 0.000 1.105 254 G CA -0.472 44.544 45.100 -0.139 0.000 0.861 254 G HN 0.197 nan 8.290 nan 0.000 0.493 255 I N 0.338 120.734 120.570 -0.290 0.000 2.476 255 I HA 0.360 4.540 4.170 0.016 0.000 0.281 255 I C 0.235 176.227 176.117 -0.208 0.000 1.040 255 I CA -1.000 60.082 61.300 -0.362 0.000 1.094 255 I CB 1.484 39.162 38.000 -0.537 0.000 1.219 255 I HN 0.062 nan 8.210 nan 0.000 0.450 256 N N 2.198 120.808 118.700 -0.150 0.000 2.474 256 N HA 0.074 4.824 4.740 0.016 0.000 0.224 256 N C 0.502 175.970 175.510 -0.071 0.000 1.092 256 N CA 0.249 53.248 53.050 -0.084 0.000 0.844 256 N CB 0.655 39.110 38.487 -0.053 0.000 1.381 256 N HN 0.588 nan 8.380 nan 0.000 0.458 257 S N -0.034 115.614 115.700 -0.086 0.000 2.713 257 S HA 0.377 4.857 4.470 0.016 0.000 0.283 257 S C 1.627 176.172 174.600 -0.092 0.000 1.161 257 S CA -0.725 57.430 58.200 -0.074 0.000 0.999 257 S CB 1.694 64.864 63.200 -0.050 0.000 1.039 257 S HN -0.139 nan 8.310 nan 0.000 0.548 258 V N 1.078 120.934 119.914 -0.097 0.000 2.469 258 V HA -0.181 3.949 4.120 0.016 0.000 0.251 258 V C 2.786 178.782 176.094 -0.163 0.000 1.064 258 V CA 2.339 64.539 62.300 -0.167 0.000 1.066 258 V CB -1.106 30.559 31.823 -0.263 0.000 0.667 258 V HN 0.930 nan 8.190 nan 0.000 0.461 259 R N -0.279 120.202 120.500 -0.031 0.000 2.093 259 R HA -0.114 4.236 4.340 0.016 0.000 0.224 259 R C 2.074 178.356 176.300 -0.030 0.000 1.101 259 R CA 1.271 57.391 56.100 0.033 0.000 0.979 259 R CB -0.238 30.137 30.300 0.126 0.000 0.877 259 R HN 0.463 nan 8.270 nan 0.000 0.441 260 D N 0.894 121.260 120.400 -0.056 0.000 2.133 260 D HA -0.204 4.446 4.640 0.016 0.000 0.195 260 D C 1.762 178.002 176.300 -0.100 0.000 0.997 260 D CA 1.052 54.999 54.000 -0.089 0.000 0.840 260 D CB -0.090 40.612 40.800 -0.162 0.000 0.947 260 D HN 0.178 nan 8.370 nan 0.000 0.452 261 L N 0.860 122.003 121.223 -0.134 0.000 2.109 261 L HA -0.097 4.253 4.340 0.016 0.000 0.207 261 L C 2.165 178.974 176.870 -0.101 0.000 1.086 261 L CA 1.480 56.252 54.840 -0.113 0.000 0.760 261 L CB -0.469 41.503 42.059 -0.145 0.000 0.910 261 L HN -0.025 nan 8.230 nan 0.000 0.437 262 Q N -0.888 118.769 119.800 -0.238 0.000 2.030 262 Q HA -0.182 4.168 4.340 0.016 0.000 0.204 262 Q C 1.663 177.633 176.000 -0.050 0.000 0.986 262 Q CA 2.366 57.902 55.803 -0.445 0.000 0.843 262 Q CB -0.263 28.137 28.738 -0.564 0.000 0.904 262 Q HN 0.693 nan 8.270 nan 0.000 0.420 263 T N -2.126 112.465 114.554 0.061 0.000 3.129 263 T HA 0.092 4.452 4.350 0.016 0.000 0.251 263 T C 0.102 174.921 174.700 0.198 0.000 1.117 263 T CA -0.245 61.942 62.100 0.144 0.000 1.034 263 T CB -0.072 68.869 68.868 0.121 0.000 0.968 263 T HN -0.028 nan 8.240 nan 0.000 0.526 264 F N 2.753 122.708 119.950 0.008 0.000 2.379 264 F HA 0.558 5.095 4.527 0.017 0.000 0.332 264 F C 0.649 176.460 175.800 0.019 0.000 1.096 264 F CA -1.878 56.124 58.000 0.005 0.000 1.105 264 F CB 1.574 40.565 39.000 -0.016 0.000 1.189 264 F HN 0.016 nan 8.300 nan 0.000 0.515 265 S N 7.112 122.384 115.700 -0.714 0.000 2.509 265 S HA 0.128 4.608 4.470 0.016 0.000 0.287 265 S C -1.586 172.858 174.600 -0.260 0.000 1.248 265 S CA -1.041 56.906 58.200 -0.422 0.000 1.089 265 S CB 0.487 63.413 63.200 -0.456 0.000 0.900 265 S HN 0.470 nan 8.310 nan 0.000 0.496 266 P HA -0.173 nan 4.420 nan 0.000 0.218 266 P C 1.745 179.013 177.300 -0.054 0.000 1.154 266 P CA 2.381 65.461 63.100 -0.034 0.000 0.872 266 P CB -0.107 31.585 31.700 -0.013 0.000 0.790 267 K N -0.378 119.971 120.400 -0.085 0.000 2.103 267 K HA -0.155 4.175 4.320 0.016 0.000 0.207 267 K C 2.013 178.569 176.600 -0.074 0.000 1.048 267 K CA 1.946 58.190 56.287 -0.072 0.000 0.930 267 K CB -1.779 30.676 32.500 -0.075 0.000 0.716 267 K HN 0.182 nan 8.250 nan 0.000 0.444 268 I N -0.332 120.155 120.570 -0.139 0.000 2.353 268 I HA -0.121 4.059 4.170 0.016 0.000 0.248 268 I C 2.380 178.523 176.117 0.043 0.000 1.119 268 I CA 0.455 61.703 61.300 -0.087 0.000 1.417 268 I CB 0.027 37.884 38.000 -0.239 0.000 1.078 268 I HN 0.181 nan 8.210 nan 0.000 0.421 269 L N 0.891 122.147 121.223 0.056 0.000 2.046 269 L HA -0.201 4.149 4.340 0.016 0.000 0.208 269 L C 2.358 179.261 176.870 0.055 0.000 1.077 269 L CA 1.892 56.801 54.840 0.115 0.000 0.747 269 L CB -0.617 41.517 42.059 0.124 0.000 0.896 269 L HN 0.186 nan 8.230 nan 0.000 0.432 270 E N -0.412 119.803 120.200 0.025 0.000 2.085 270 E HA -0.231 4.129 4.350 0.016 0.000 0.194 270 E C 1.908 178.515 176.600 0.012 0.000 0.994 270 E CA 1.579 57.987 56.400 0.013 0.000 0.801 270 E CB -0.241 29.459 29.700 0.001 0.000 0.743 270 E HN 0.495 nan 8.360 nan 0.000 0.453 271 K N 1.186 121.594 120.400 0.012 0.000 2.632 271 K HA -0.059 4.271 4.320 0.016 0.000 0.196 271 K C 1.332 177.943 176.600 0.019 0.000 1.023 271 K CA 1.351 57.645 56.287 0.012 0.000 1.098 271 K CB -0.346 32.159 32.500 0.007 0.000 0.862 271 K HN 0.144 nan 8.250 nan 0.000 0.504 272 E N -1.552 118.662 120.200 0.023 0.000 2.568 272 E HA 0.313 4.673 4.350 0.016 0.000 0.220 272 E C 0.989 177.593 176.600 0.006 0.000 0.869 272 E CA 0.209 56.619 56.400 0.017 0.000 1.268 272 E CB 0.545 30.261 29.700 0.026 0.000 1.252 272 E HN 0.379 nan 8.360 nan 0.000 0.606 273 L N -1.642 119.586 121.223 0.008 0.000 3.503 273 L HA 0.502 4.852 4.340 0.016 0.000 0.327 273 L C 0.480 177.350 176.870 0.001 0.000 1.108 273 L CA -0.070 54.771 54.840 0.002 0.000 1.214 273 L CB 1.561 43.622 42.059 0.002 0.000 1.806 273 L HN 0.128 nan 8.230 nan 0.000 0.610 274 G N 0.873 109.676 108.800 0.004 0.000 2.697 274 G HA2 -0.169 3.801 3.960 0.016 0.000 0.686 274 G HA3 -0.169 3.801 3.960 0.016 0.000 0.686 274 G C 0.068 174.971 174.900 0.005 0.000 1.179 274 G CA -0.187 44.914 45.100 0.002 0.000 0.765 274 G HN 0.071 nan 8.290 nan 0.000 0.649 275 I N 1.167 121.739 120.570 0.003 0.000 2.623 275 I HA -0.103 4.077 4.170 0.016 0.000 0.261 275 I C 2.668 178.787 176.117 0.003 0.000 1.204 275 I CA 2.662 63.964 61.300 0.004 0.000 1.444 275 I CB -0.238 37.763 38.000 0.001 0.000 1.094 275 I HN 0.946 nan 8.210 nan 0.000 0.451 276 S N 0.142 115.842 115.700 0.001 0.000 2.336 276 S HA -0.170 4.310 4.470 0.016 0.000 0.214 276 S C 2.016 176.616 174.600 0.000 0.000 1.032 276 S CA 2.114 60.313 58.200 -0.001 0.000 1.001 276 S CB -0.944 62.254 63.200 -0.004 0.000 0.953 276 S HN 0.198 nan 8.310 nan 0.000 0.430 277 V N 1.658 121.572 119.914 0.000 0.000 2.358 277 V HA -0.099 4.031 4.120 0.016 0.000 0.246 277 V C 3.031 179.130 176.094 0.008 0.000 1.047 277 V CA 1.620 63.920 62.300 -0.000 0.000 1.035 277 V CB -1.026 30.795 31.823 -0.004 0.000 0.658 277 V HN 0.658 nan 8.190 nan 0.000 0.452 278 A N -1.045 121.784 122.820 0.014 0.000 1.908 278 A HA -0.331 3.998 4.320 0.016 0.000 0.218 278 A C 2.184 179.787 177.584 0.033 0.000 1.181 278 A CA 2.329 54.382 52.037 0.027 0.000 0.627 278 A CB -0.484 18.533 19.000 0.029 0.000 0.818 278 A HN 0.594 nan 8.150 nan 0.000 0.445 279 Q N -1.476 118.338 119.800 0.025 0.000 2.331 279 Q HA 0.018 4.368 4.340 0.016 0.000 0.203 279 Q C 2.264 178.283 176.000 0.032 0.000 0.944 279 Q CA 0.740 56.561 55.803 0.030 0.000 0.892 279 Q CB 0.035 28.783 28.738 0.017 0.000 0.983 279 Q HN 0.676 nan 8.270 nan 0.000 0.482 280 R N 0.324 120.835 120.500 0.019 0.000 2.066 280 R HA -0.048 4.302 4.340 0.016 0.000 0.224 280 R C 2.296 178.605 176.300 0.015 0.000 1.122 280 R CA 1.265 57.373 56.100 0.012 0.000 0.974 280 R CB -0.186 30.113 30.300 -0.002 0.000 0.871 280 R HN 0.414 nan 8.270 nan 0.000 0.435 281 I N -1.286 119.290 120.570 0.010 0.000 2.493 281 I HA -0.150 4.030 4.170 0.016 0.000 0.254 281 I C 2.292 178.412 176.117 0.006 0.000 1.160 281 I CA 1.218 62.517 61.300 -0.002 0.000 1.445 281 I CB -0.381 37.611 38.000 -0.014 0.000 1.086 281 I HN 0.202 nan 8.210 nan 0.000 0.433 282 Q N 1.543 121.369 119.800 0.042 0.000 2.050 282 Q HA -0.194 4.156 4.340 0.016 0.000 0.202 282 Q C 2.171 178.274 176.000 0.171 0.000 0.980 282 Q CA 1.627 57.480 55.803 0.083 0.000 0.840 282 Q CB 0.079 28.899 28.738 0.138 0.000 0.898 282 Q HN 0.392 nan 8.270 nan 0.000 0.424 283 K N 0.487 120.985 120.400 0.165 0.000 2.020 283 K HA -0.189 4.141 4.320 0.016 0.000 0.212 283 K C 2.149 178.826 176.600 0.128 0.000 1.050 283 K CA 1.324 57.719 56.287 0.179 0.000 0.929 283 K CB -0.796 31.752 32.500 0.081 0.000 0.714 283 K HN 0.335 nan 8.250 nan 0.000 0.443 284 L N 1.579 122.828 121.223 0.043 0.000 2.051 284 L HA -0.253 4.097 4.340 0.016 0.000 0.214 284 L C 2.628 179.472 176.870 -0.043 0.000 1.076 284 L CA 1.896 56.732 54.840 -0.006 0.000 0.758 284 L CB -0.844 41.198 42.059 -0.028 0.000 0.890 284 L HN 0.290 nan 8.230 nan 0.000 0.433 285 S N -0.797 114.850 115.700 -0.088 0.000 2.447 285 S HA -0.123 4.356 4.470 0.016 0.000 0.233 285 S C 1.590 175.991 174.600 -0.333 0.000 1.006 285 S CA 0.776 58.836 58.200 -0.233 0.000 0.957 285 S CB -0.627 62.391 63.200 -0.303 0.000 0.773 285 S HN 0.374 nan 8.310 nan 0.000 0.507 286 F N 2.032 121.944 119.950 -0.063 0.000 2.797 286 F HA 0.368 4.905 4.527 0.016 0.000 0.302 286 F C 1.949 177.713 175.800 -0.060 0.000 1.130 286 F CA 0.240 58.208 58.000 -0.054 0.000 1.387 286 F CB -0.083 38.904 39.000 -0.021 0.000 1.107 286 F HN 0.418 nan 8.300 nan 0.000 0.577 287 G N 0.815 109.650 108.800 0.059 0.000 2.148 287 G HA2 -0.289 3.680 3.960 0.016 0.000 0.254 287 G HA3 -0.289 3.680 3.960 0.016 0.000 0.254 287 G C -0.063 174.858 174.900 0.035 0.000 0.981 287 G CA -0.279 44.833 45.100 0.021 0.000 0.670 287 G HN 0.413 nan 8.290 nan 0.000 0.528 288 E N 0.491 120.730 120.200 0.065 0.000 2.134 288 E HA 0.512 4.872 4.350 0.016 0.000 0.278 288 E C -1.108 175.499 176.600 0.012 0.000 0.959 288 E CA -0.570 55.853 56.400 0.039 0.000 0.783 288 E CB 1.378 31.109 29.700 0.051 0.000 1.095 288 E HN 0.167 nan 8.360 nan 0.000 0.399 289 D N 2.565 122.958 120.400 -0.012 0.000 2.478 289 D HA 0.152 4.802 4.640 0.016 0.000 0.240 289 D C -0.544 175.731 176.300 -0.041 0.000 1.364 289 D CA -0.377 53.604 54.000 -0.032 0.000 0.987 289 D CB 0.652 41.422 40.800 -0.050 0.000 1.328 289 D HN 0.307 nan 8.370 nan 0.000 0.584 290 N N 0.582 119.259 118.700 -0.039 0.000 2.398 290 N HA 0.018 4.768 4.740 0.016 0.000 0.188 290 N C -0.032 175.447 175.510 -0.052 0.000 1.122 290 N CA -0.159 52.867 53.050 -0.039 0.000 0.866 290 N CB 0.367 38.837 38.487 -0.030 0.000 0.970 290 N HN 0.337 nan 8.380 nan 0.000 0.462 291 S N 1.910 117.567 115.700 -0.071 0.000 2.537 291 S HA 0.144 4.624 4.470 0.016 0.000 0.286 291 S C -2.258 172.285 174.600 -0.096 0.000 1.299 291 S CA -1.198 56.951 58.200 -0.086 0.000 1.067 291 S CB 0.589 63.721 63.200 -0.113 0.000 0.864 291 S HN 0.084 nan 8.310 nan 0.000 0.494 292 P HA 0.269 nan 4.420 nan 0.000 0.276 292 P C -0.539 176.710 177.300 -0.086 0.000 1.244 292 P CA -0.751 62.310 63.100 -0.064 0.000 0.801 292 P CB 0.565 32.242 31.700 -0.037 0.000 1.006 293 V N 2.926 122.802 119.914 -0.065 0.000 2.521 293 V HA 0.043 4.173 4.120 0.016 0.000 0.286 293 V C 0.796 176.881 176.094 -0.014 0.000 1.034 293 V CA 0.204 62.476 62.300 -0.047 0.000 1.045 293 V CB -0.171 31.661 31.823 0.016 0.000 0.974 293 V HN 0.350 nan 8.190 nan 0.000 0.480 294 I N 5.163 125.727 120.570 -0.010 0.000 2.412 294 I HA 0.321 4.501 4.170 0.016 0.000 0.296 294 I C -0.067 176.070 176.117 0.033 0.000 0.987 294 I CA -1.160 60.144 61.300 0.006 0.000 1.180 294 I CB 1.559 39.556 38.000 -0.005 0.000 1.340 294 I HN 0.459 nan 8.210 nan 0.000 0.455 295 L N 5.640 126.883 121.223 0.034 0.000 2.456 295 L HA 0.173 4.523 4.340 0.016 0.000 0.277 295 L C 1.229 178.128 176.870 0.048 0.000 1.124 295 L CA 0.913 55.780 54.840 0.045 0.000 0.880 295 L CB 0.645 42.727 42.059 0.038 0.000 1.192 295 L HN 0.658 nan 8.230 nan 0.000 0.463 296 S N 3.239 118.977 115.700 0.064 0.000 2.357 296 S HA 0.207 4.687 4.470 0.016 0.000 0.221 296 S C 1.147 175.790 174.600 0.072 0.000 1.031 296 S CA 0.657 58.900 58.200 0.070 0.000 0.982 296 S CB -0.631 62.623 63.200 0.090 0.000 0.853 296 S HN 1.237 nan 8.310 nan 0.000 0.458 297 G N 2.032 110.882 108.800 0.084 0.000 2.547 297 G HA2 -0.242 3.727 3.960 0.016 0.000 0.271 297 G HA3 -0.242 3.727 3.960 0.016 0.000 0.271 297 G C -2.691 172.257 174.900 0.081 0.000 1.209 297 G CA -0.155 44.989 45.100 0.072 0.000 0.959 297 G HN 0.451 nan 8.290 nan 0.000 0.563 298 P HA 0.469 nan 4.420 nan 0.000 0.276 298 P C -2.438 174.851 177.300 -0.018 0.000 1.244 298 P CA -1.186 61.904 63.100 -0.017 0.000 0.801 298 P CB 0.333 32.021 31.700 -0.020 0.000 1.006 299 P HA 0.186 nan 4.420 nan 0.000 0.277 299 P C 0.407 177.583 177.300 -0.207 0.000 1.240 299 P CA -0.164 62.863 63.100 -0.122 0.000 0.798 299 P CB 0.604 32.184 31.700 -0.200 0.000 0.979 300 Q N -0.128 119.594 119.800 -0.129 0.000 2.451 300 Q HA 0.087 4.436 4.340 0.016 0.000 0.206 300 Q C 0.349 176.274 176.000 -0.124 0.000 0.947 300 Q CA 0.663 56.409 55.803 -0.094 0.000 0.937 300 Q CB -0.170 28.549 28.738 -0.031 0.000 1.025 300 Q HN 0.659 nan 8.270 nan 0.000 0.511 301 S N -0.936 114.609 115.700 -0.257 0.000 2.558 301 S HA 0.629 5.109 4.470 0.016 0.000 0.277 301 S C -1.205 173.183 174.600 -0.353 0.000 1.143 301 S CA -0.960 57.129 58.200 -0.185 0.000 0.865 301 S CB 0.514 63.708 63.200 -0.011 0.000 1.102 301 S HN 0.038 nan 8.310 nan 0.000 0.454 302 F N 1.942 122.004 119.950 0.187 0.000 2.507 302 F HA 0.803 5.340 4.527 0.016 0.000 0.325 302 F C 0.663 176.577 175.800 0.191 0.000 1.116 302 F CA -0.295 57.823 58.000 0.196 0.000 0.930 302 F CB 2.413 41.535 39.000 0.203 0.000 1.146 302 F HN 0.926 nan 8.300 nan 0.000 0.447 303 S N 1.984 117.872 115.700 0.313 0.000 2.627 303 S HA 0.788 5.268 4.470 0.016 0.000 0.283 303 S C -1.366 173.341 174.600 0.179 0.000 1.127 303 S CA -0.765 57.555 58.200 0.200 0.000 0.863 303 S CB 2.776 66.050 63.200 0.123 0.000 1.121 303 S HN 0.593 nan 8.310 nan 0.000 0.479 304 E N 0.152 120.421 120.200 0.116 0.000 2.356 304 E HA 0.494 4.853 4.350 0.016 0.000 0.275 304 E C -1.531 175.101 176.600 0.053 0.000 0.904 304 E CA -0.462 55.995 56.400 0.094 0.000 0.757 304 E CB 2.557 32.313 29.700 0.095 0.000 1.232 304 E HN 0.786 nan 8.360 nan 0.000 0.442 305 E N 1.366 121.589 120.200 0.038 0.000 2.321 305 E HA 0.319 4.678 4.350 0.016 0.000 0.278 305 E C -1.975 174.610 176.600 -0.025 0.000 0.902 305 E CA -0.487 55.914 56.400 0.002 0.000 0.758 305 E CB 1.834 31.535 29.700 0.002 0.000 1.213 305 E HN 0.253 nan 8.360 nan 0.000 0.426 306 D N 1.348 121.702 120.400 -0.076 0.000 2.879 306 D HA 0.417 5.067 4.640 0.016 0.000 0.236 306 D C -1.685 174.345 176.300 -0.449 0.000 1.171 306 D CA -0.242 53.683 54.000 -0.125 0.000 0.868 306 D CB 1.917 42.740 40.800 0.039 0.000 1.598 306 D HN 0.342 nan 8.370 nan 0.000 0.497 307 S N 1.587 116.987 115.700 -0.499 0.000 2.536 307 S HA 0.939 5.419 4.470 0.016 0.000 0.287 307 S C -0.667 173.590 174.600 -0.572 0.000 1.101 307 S CA -0.734 57.039 58.200 -0.712 0.000 0.950 307 S CB 1.069 64.057 63.200 -0.353 0.000 1.056 307 S HN 0.430 nan 8.310 nan 0.000 0.481 308 F N -0.317 119.608 119.950 -0.041 0.000 3.090 308 F HA 0.594 5.131 4.527 0.017 0.000 0.324 308 F C 0.849 176.631 175.800 -0.030 0.000 1.189 308 F CA -1.466 56.517 58.000 -0.029 0.000 0.907 308 F CB 0.604 39.592 39.000 -0.019 0.000 1.445 308 F HN 0.552 nan 8.300 nan 0.000 0.500 309 K N 0.803 121.371 120.400 0.280 0.000 2.054 309 K HA 0.320 4.650 4.320 0.016 0.000 0.207 309 K C -0.029 176.636 176.600 0.108 0.000 1.031 309 K CA 0.716 57.079 56.287 0.127 0.000 0.952 309 K CB 0.059 32.603 32.500 0.073 0.000 0.775 309 K HN 0.643 nan 8.250 nan 0.000 0.447 310 K N -1.045 119.397 120.400 0.071 0.000 2.213 310 K HA 0.403 4.733 4.320 0.016 0.000 0.254 310 K C -1.349 175.218 176.600 -0.055 0.000 1.062 310 K CA -0.795 55.540 56.287 0.080 0.000 0.884 310 K CB 2.330 34.855 32.500 0.042 0.000 1.437 310 K HN 0.308 nan 8.250 nan 0.000 0.464 311 C N -1.350 117.910 119.300 -0.067 0.000 3.312 311 C HA 0.848 5.318 4.460 0.016 0.000 0.368 311 C C -1.232 173.727 174.990 -0.052 0.000 2.465 311 C CA 0.004 58.906 59.018 -0.193 0.000 1.359 311 C CB 1.406 28.901 27.740 -0.410 0.000 2.896 311 C HN 0.766 nan 8.230 nan 0.000 0.470 312 S N 1.191 116.872 115.700 -0.032 0.000 4.420 312 S HA 0.294 4.774 4.470 0.016 0.000 0.128 312 S C -0.955 173.659 174.600 0.025 0.000 0.793 312 S CA 0.615 58.835 58.200 0.034 0.000 0.941 312 S CB -1.119 62.097 63.200 0.025 0.000 0.526 312 S HN 1.611 nan 8.310 nan 0.000 0.825 313 S N 2.047 117.772 115.700 0.042 0.000 2.944 313 S HA 0.107 4.587 4.470 0.016 0.000 0.151 313 S C 0.451 175.037 174.600 -0.024 0.000 0.679 313 S CA 0.349 58.547 58.200 -0.002 0.000 0.788 313 S CB -0.208 62.963 63.200 -0.048 0.000 1.439 313 S HN 0.889 nan 8.310 nan 0.000 0.533 314 E N 1.886 122.091 120.200 0.009 0.000 2.171 314 E HA -0.126 4.234 4.350 0.016 0.000 0.197 314 E C 1.230 177.754 176.600 -0.126 0.000 0.997 314 E CA 2.276 58.669 56.400 -0.012 0.000 0.810 314 E CB -0.071 29.658 29.700 0.049 0.000 0.738 314 E HN 0.461 nan 8.360 nan 0.000 0.467 315 V N 0.728 120.594 119.914 -0.080 0.000 2.426 315 V HA -0.079 4.051 4.120 0.016 0.000 0.242 315 V C 2.772 178.805 176.094 -0.101 0.000 1.036 315 V CA 2.014 64.264 62.300 -0.083 0.000 1.044 315 V CB -0.801 30.992 31.823 -0.050 0.000 0.688 315 V HN 0.583 nan 8.190 nan 0.000 0.462 316 E N 0.567 120.709 120.200 -0.096 0.000 2.118 316 E HA -0.218 4.141 4.350 0.016 0.000 0.195 316 E C 2.185 178.705 176.600 -0.134 0.000 0.992 316 E CA 1.755 58.093 56.400 -0.103 0.000 0.804 316 E CB -0.843 28.795 29.700 -0.104 0.000 0.741 316 E HN 0.690 nan 8.360 nan 0.000 0.458 317 A N 0.624 123.338 122.820 -0.176 0.000 1.969 317 A HA -0.096 4.234 4.320 0.016 0.000 0.218 317 A C 2.244 179.659 177.584 -0.281 0.000 1.169 317 A CA 1.896 53.798 52.037 -0.225 0.000 0.635 317 A CB -0.320 18.514 19.000 -0.278 0.000 0.810 317 A HN 0.447 nan 8.150 nan 0.000 0.445 318 K N -0.080 120.147 120.400 -0.288 0.000 2.211 318 K HA -0.225 4.105 4.320 0.016 0.000 0.204 318 K C 1.572 178.100 176.600 -0.119 0.000 1.047 318 K CA 1.762 57.926 56.287 -0.205 0.000 0.935 318 K CB -0.230 32.174 32.500 -0.160 0.000 0.728 318 K HN 0.596 nan 8.250 nan 0.000 0.452 319 N N 0.528 119.166 118.700 -0.104 0.000 2.048 319 N HA -0.113 4.637 4.740 0.016 0.000 0.193 319 N C 1.350 176.831 175.510 -0.048 0.000 1.061 319 N CA 1.261 54.272 53.050 -0.065 0.000 0.849 319 N CB -0.059 38.391 38.487 -0.062 0.000 1.044 319 N HN 0.009 nan 8.380 nan 0.000 0.429 320 K N 0.570 120.942 120.400 -0.047 0.000 2.148 320 K HA -0.215 4.115 4.320 0.016 0.000 0.213 320 K C 1.988 178.593 176.600 0.009 0.000 1.050 320 K CA 1.280 57.570 56.287 0.005 0.000 0.932 320 K CB -0.752 31.773 32.500 0.042 0.000 0.717 320 K HN 0.337 nan 8.250 nan 0.000 0.462 321 I N 1.272 121.822 120.570 -0.032 0.000 2.353 321 I HA -0.207 3.972 4.170 0.016 0.000 0.248 321 I C 2.344 178.453 176.117 -0.013 0.000 1.119 321 I CA 0.980 62.263 61.300 -0.029 0.000 1.417 321 I CB -0.158 37.798 38.000 -0.074 0.000 1.078 321 I HN 0.193 nan 8.210 nan 0.000 0.421 322 E N 0.728 120.915 120.200 -0.021 0.000 2.051 322 E HA -0.243 4.117 4.350 0.016 0.000 0.192 322 E C 1.958 178.564 176.600 0.010 0.000 0.991 322 E CA 1.143 57.539 56.400 -0.005 0.000 0.799 322 E CB -0.297 29.394 29.700 -0.015 0.000 0.748 322 E HN 0.548 nan 8.360 nan 0.000 0.449 323 E N 0.931 121.137 120.200 0.009 0.000 2.049 323 E HA -0.211 4.149 4.350 0.016 0.000 0.198 323 E C 2.359 178.979 176.600 0.032 0.000 1.007 323 E CA 1.138 57.550 56.400 0.019 0.000 0.809 323 E CB -0.265 29.449 29.700 0.023 0.000 0.749 323 E HN 0.241 nan 8.360 nan 0.000 0.450 324 L N 0.347 121.592 121.223 0.037 0.000 2.083 324 L HA -0.207 4.143 4.340 0.016 0.000 0.209 324 L C 2.577 179.490 176.870 0.070 0.000 1.083 324 L CA 0.477 55.346 54.840 0.049 0.000 0.752 324 L CB -0.361 41.720 42.059 0.037 0.000 0.899 324 L HN 0.122 nan 8.230 nan 0.000 0.433 325 L N -0.031 121.232 121.223 0.068 0.000 2.027 325 L HA -0.120 4.230 4.340 0.016 0.000 0.206 325 L C 2.711 179.642 176.870 0.101 0.000 1.074 325 L CA 1.921 56.830 54.840 0.114 0.000 0.745 325 L CB -0.788 41.327 42.059 0.093 0.000 0.898 325 L HN 0.171 nan 8.230 nan 0.000 0.433 326 A N -1.741 121.113 122.820 0.057 0.000 1.873 326 A HA -0.300 4.029 4.320 0.016 0.000 0.218 326 A C 2.559 180.162 177.584 0.031 0.000 1.193 326 A CA 2.381 54.439 52.037 0.035 0.000 0.629 326 A CB -1.274 17.738 19.000 0.020 0.000 0.826 326 A HN 0.480 nan 8.150 nan 0.000 0.447 327 S N -0.898 114.826 115.700 0.039 0.000 2.368 327 S HA -0.052 4.428 4.470 0.016 0.000 0.224 327 S C 1.941 176.567 174.600 0.044 0.000 1.029 327 S CA 1.230 59.450 58.200 0.033 0.000 0.988 327 S CB -0.468 62.756 63.200 0.040 0.000 0.838 327 S HN 0.473 nan 8.310 nan 0.000 0.462 328 L N 0.481 121.765 121.223 0.101 0.000 2.042 328 L HA -0.137 4.213 4.340 0.016 0.000 0.210 328 L C 2.303 179.197 176.870 0.040 0.000 1.076 328 L CA 1.226 56.166 54.840 0.165 0.000 0.749 328 L CB -0.358 41.929 42.059 0.380 0.000 0.893 328 L HN 0.354 nan 8.230 nan 0.000 0.432 329 L N -0.815 120.419 121.223 0.018 0.000 2.072 329 L HA -0.183 4.167 4.340 0.016 0.000 0.205 329 L C 2.323 179.105 176.870 -0.146 0.000 1.079 329 L CA 1.058 55.830 54.840 -0.113 0.000 0.752 329 L CB -0.693 41.331 42.059 -0.059 0.000 0.906 329 L HN 0.290 nan 8.230 nan 0.000 0.436 330 N N 0.105 118.750 118.700 -0.092 0.000 2.027 330 N HA -0.274 4.475 4.740 0.016 0.000 0.200 330 N C 2.005 177.420 175.510 -0.158 0.000 1.042 330 N CA 1.958 54.949 53.050 -0.099 0.000 0.871 330 N CB 0.016 38.468 38.487 -0.059 0.000 1.063 330 N HN 0.277 nan 8.380 nan 0.000 0.438 331 R N 0.478 120.872 120.500 -0.177 0.000 2.103 331 R HA -0.123 4.227 4.340 0.016 0.000 0.234 331 R C 2.331 178.292 176.300 -0.566 0.000 1.132 331 R CA 1.321 57.244 56.100 -0.295 0.000 0.925 331 R CB -1.082 29.073 30.300 -0.242 0.000 0.842 331 R HN 0.152 nan 8.270 nan 0.000 0.430 332 V N 1.107 120.608 119.914 -0.688 0.000 2.380 332 V HA -0.356 3.774 4.120 0.016 0.000 0.251 332 V C 2.675 178.501 176.094 -0.448 0.000 1.063 332 V CA 1.696 63.513 62.300 -0.805 0.000 1.055 332 V CB -0.441 31.022 31.823 -0.601 0.000 0.657 332 V HN 0.508 nan 8.190 nan 0.000 0.455 333 C N -0.428 118.685 119.300 -0.312 0.000 2.504 333 C HA -0.217 4.253 4.460 0.016 0.000 0.285 333 C C 2.907 177.802 174.990 -0.157 0.000 1.225 333 C CA 1.633 60.532 59.018 -0.197 0.000 1.755 333 C CB -1.115 26.535 27.740 -0.150 0.000 2.065 333 C HN 0.660 nan 8.230 nan 0.000 0.452 334 Q N 0.142 119.854 119.800 -0.146 0.000 2.118 334 Q HA -0.322 4.028 4.340 0.016 0.000 0.211 334 Q C 1.773 177.722 176.000 -0.085 0.000 0.998 334 Q CA 2.231 57.973 55.803 -0.102 0.000 0.872 334 Q CB -0.703 27.978 28.738 -0.094 0.000 0.925 334 Q HN 0.695 nan 8.270 nan 0.000 0.414 335 D N -0.643 119.693 120.400 -0.105 0.000 2.347 335 D HA -0.265 4.385 4.640 0.016 0.000 0.189 335 D C 1.492 177.782 176.300 -0.017 0.000 1.020 335 D CA 2.921 56.904 54.000 -0.029 0.000 0.875 335 D CB -0.512 40.316 40.800 0.048 0.000 0.928 335 D HN 0.526 nan 8.370 nan 0.000 0.454 336 G N -0.769 108.012 108.800 -0.031 0.000 2.399 336 G HA2 -0.300 3.670 3.960 0.016 0.000 0.216 336 G HA3 -0.300 3.670 3.960 0.016 0.000 0.216 336 G C 0.561 175.464 174.900 0.004 0.000 1.096 336 G CA 0.315 45.406 45.100 -0.015 0.000 0.650 336 G HN 0.578 nan 8.290 nan 0.000 0.512 337 R N 0.818 121.338 120.500 0.034 0.000 2.726 337 R HA 0.638 4.988 4.340 0.016 0.000 0.272 337 R C -0.001 176.331 176.300 0.053 0.000 1.097 337 R CA 0.192 56.328 56.100 0.059 0.000 1.198 337 R CB 0.387 30.743 30.300 0.094 0.000 1.114 337 R HN 0.278 nan 8.270 nan 0.000 0.550 338 K N 1.189 121.639 120.400 0.083 0.000 2.371 338 K HA 0.422 4.752 4.320 0.016 0.000 0.251 338 K C -2.593 174.107 176.600 0.167 0.000 0.934 338 K CA -1.890 54.434 56.287 0.062 0.000 0.798 338 K CB 2.455 34.955 32.500 0.001 0.000 1.204 338 K HN 0.355 nan 8.250 nan 0.000 0.427 339 P HA 0.254 nan 4.420 nan 0.000 0.298 339 P C -0.738 176.667 177.300 0.176 0.000 1.314 339 P CA -0.382 62.838 63.100 0.200 0.000 0.854 339 P CB 0.954 32.758 31.700 0.173 0.000 1.019 340 H N 0.188 119.313 119.070 0.092 0.000 2.528 340 H HA 0.251 4.816 4.556 0.016 0.000 0.282 340 H C -0.324 175.060 175.328 0.093 0.000 1.097 340 H CA 0.025 56.115 56.048 0.071 0.000 1.121 340 H CB 0.898 30.685 29.762 0.043 0.000 1.590 340 H HN 0.341 nan 8.280 nan 0.000 0.553 341 T N 1.201 115.900 114.554 0.241 0.000 3.032 341 T HA 0.189 4.549 4.350 0.016 0.000 0.312 341 T C -0.797 174.029 174.700 0.210 0.000 1.078 341 T CA -0.413 61.798 62.100 0.185 0.000 1.028 341 T CB 2.840 71.790 68.868 0.136 0.000 1.091 341 T HN -0.074 nan 8.240 nan 0.000 0.457 342 V N 3.224 123.214 119.914 0.127 0.000 2.732 342 V HA 0.791 4.921 4.120 0.016 0.000 0.310 342 V C -0.390 175.674 176.094 -0.050 0.000 1.053 342 V CA -0.747 61.540 62.300 -0.021 0.000 0.957 342 V CB 1.789 33.584 31.823 -0.047 0.000 1.018 342 V HN 0.788 nan 8.190 nan 0.000 0.452 343 R N 3.843 124.269 120.500 -0.123 0.000 2.686 343 R HA 0.639 4.989 4.340 0.016 0.000 0.283 343 R C -2.123 174.137 176.300 -0.066 0.000 0.978 343 R CA -0.725 55.340 56.100 -0.058 0.000 0.897 343 R CB 1.906 32.190 30.300 -0.027 0.000 1.192 343 R HN 0.582 nan 8.270 nan 0.000 0.457 344 L N 5.100 126.315 121.223 -0.014 0.000 2.362 344 L HA 0.625 4.975 4.340 0.016 0.000 0.275 344 L C -1.549 175.342 176.870 0.035 0.000 0.998 344 L CA -0.440 54.409 54.840 0.016 0.000 0.820 344 L CB 1.752 43.844 42.059 0.056 0.000 1.270 344 L HN 0.605 nan 8.230 nan 0.000 0.415 345 I N 5.817 126.413 120.570 0.043 0.000 2.647 345 I HA 0.631 4.811 4.170 0.016 0.000 0.295 345 I C -0.423 175.731 176.117 0.061 0.000 1.078 345 I CA -0.413 60.915 61.300 0.046 0.000 1.048 345 I CB 1.987 40.009 38.000 0.038 0.000 1.239 345 I HN 0.673 nan 8.210 nan 0.000 0.421 346 I N 1.342 121.946 120.570 0.057 0.000 3.191 346 I HA 0.761 4.941 4.170 0.016 0.000 0.313 346 I C -1.110 175.029 176.117 0.037 0.000 1.193 346 I CA -0.843 60.495 61.300 0.062 0.000 0.968 346 I CB 2.490 40.539 38.000 0.082 0.000 1.262 346 I HN 0.547 nan 8.210 nan 0.000 0.456 347 R N 1.730 122.244 120.500 0.024 0.000 2.604 347 R HA 0.585 4.935 4.340 0.016 0.000 0.270 347 R C -1.429 174.880 176.300 0.014 0.000 1.052 347 R CA -0.820 55.280 56.100 -0.000 0.000 0.902 347 R CB 2.744 32.984 30.300 -0.100 0.000 1.233 347 R HN 0.818 nan 8.270 nan 0.000 0.455 348 R N 0.547 121.057 120.500 0.017 0.000 2.856 348 R HA 0.533 4.883 4.340 0.016 0.000 0.258 348 R C -0.811 175.499 176.300 0.018 0.000 1.066 348 R CA -0.291 55.824 56.100 0.024 0.000 1.045 348 R CB 1.241 31.554 30.300 0.021 0.000 1.178 348 R HN 0.559 nan 8.270 nan 0.000 0.499 349 Y N 0.158 120.473 120.300 0.024 0.000 2.364 349 Y HA 0.606 5.166 4.550 0.016 0.000 0.340 349 Y C 0.587 176.498 175.900 0.019 0.000 0.975 349 Y CA -0.606 57.506 58.100 0.019 0.000 1.089 349 Y CB 1.740 40.214 38.460 0.023 0.000 1.192 349 Y HN 0.874 nan 8.280 nan 0.000 0.454 356 G N 1.917 110.754 108.800 0.061 0.000 2.167 356 G HA2 -0.132 3.838 3.960 0.016 0.000 0.194 356 G HA3 -0.132 3.838 3.960 0.016 0.000 0.194 356 G C -0.497 174.503 174.900 0.168 0.000 1.027 356 G CA -0.375 44.803 45.100 0.132 0.000 0.717 356 G HN 0.791 nan 8.290 nan 0.000 0.501 357 R N -0.103 120.491 120.500 0.157 0.000 2.643 357 R HA 0.717 5.066 4.340 0.016 0.000 0.272 357 R C -0.110 176.231 176.300 0.069 0.000 0.995 357 R CA -0.551 55.630 56.100 0.135 0.000 1.032 357 R CB 1.255 31.658 30.300 0.172 0.000 1.126 357 R HN 0.372 nan 8.270 nan 0.000 0.505 358 E N 0.413 120.644 120.200 0.051 0.000 2.272 358 E HA 0.329 4.688 4.350 0.016 0.000 0.269 358 E C -1.292 175.324 176.600 0.027 0.000 0.877 358 E CA -0.731 55.686 56.400 0.029 0.000 0.755 358 E CB 2.348 32.055 29.700 0.013 0.000 1.192 358 E HN 0.623 nan 8.360 nan 0.000 0.422 359 S N 2.560 118.273 115.700 0.021 0.000 2.526 359 S HA 0.696 5.176 4.470 0.016 0.000 0.293 359 S C -0.456 174.154 174.600 0.016 0.000 1.092 359 S CA -1.160 57.053 58.200 0.022 0.000 0.980 359 S CB 2.008 65.222 63.200 0.023 0.000 1.048 359 S HN 0.295 nan 8.310 nan 0.000 0.483 360 R N 0.959 121.470 120.500 0.019 0.000 2.854 360 R HA 0.649 4.999 4.340 0.016 0.000 0.271 360 R C -0.849 175.462 176.300 0.019 0.000 0.996 360 R CA -0.700 55.411 56.100 0.018 0.000 0.961 360 R CB 1.603 31.915 30.300 0.019 0.000 1.182 360 R HN 0.914 nan 8.270 nan 0.000 0.479 361 Q N 0.276 120.089 119.800 0.020 0.000 2.391 361 Q HA 0.589 4.939 4.340 0.016 0.000 0.279 361 Q C -1.668 174.349 176.000 0.029 0.000 1.028 361 Q CA -0.642 55.174 55.803 0.022 0.000 0.836 361 Q CB 2.190 30.943 28.738 0.024 0.000 1.414 361 Q HN 0.912 nan 8.270 nan 0.000 0.397 362 C N 0.019 119.340 119.300 0.036 0.000 3.307 362 C HA 0.761 5.231 4.460 0.016 0.000 0.333 362 C C -2.896 172.127 174.990 0.054 0.000 1.291 362 C CA -1.454 57.589 59.018 0.040 0.000 1.273 362 C CB 0.881 28.643 27.740 0.036 0.000 1.580 362 C HN 0.652 nan 8.230 nan 0.000 0.481 363 P HA 0.503 nan 4.420 nan 0.000 0.275 363 P C -0.843 176.487 177.300 0.050 0.000 1.266 363 P CA -0.314 62.826 63.100 0.066 0.000 0.793 363 P CB 0.379 32.113 31.700 0.057 0.000 1.074 364 I N 1.346 121.940 120.570 0.039 0.000 2.359 364 I HA 0.258 4.437 4.170 0.016 0.000 0.284 364 I C -2.170 173.889 176.117 -0.097 0.000 1.018 364 I CA -2.514 58.787 61.300 0.001 0.000 1.173 364 I CB 1.219 39.238 38.000 0.032 0.000 1.326 364 I HN 0.126 nan 8.210 nan 0.000 0.462 365 P HA -0.074 nan 4.420 nan 0.000 0.263 365 P C 0.935 177.997 177.300 -0.396 0.000 1.168 365 P CA 0.300 63.226 63.100 -0.289 0.000 0.759 365 P CB 0.573 32.034 31.700 -0.398 0.000 0.782 366 S N 3.427 118.927 115.700 -0.334 0.000 2.389 366 S HA -0.329 4.150 4.470 0.016 0.000 0.229 366 S C 1.658 176.136 174.600 -0.204 0.000 1.048 366 S CA 2.209 60.278 58.200 -0.218 0.000 1.117 366 S CB -1.823 61.318 63.200 -0.099 0.000 1.020 366 S HN 0.722 nan 8.310 nan 0.000 0.430 367 H N 1.360 120.419 119.070 -0.019 0.000 2.456 367 H HA 0.132 4.698 4.556 0.016 0.000 0.296 367 H C 1.710 177.021 175.328 -0.027 0.000 1.079 367 H CA 1.101 57.138 56.048 -0.019 0.000 1.322 367 H CB -1.080 28.677 29.762 -0.008 0.000 1.388 367 H HN 0.346 nan 8.280 nan 0.000 0.538 368 V N 0.814 120.701 119.914 -0.044 0.000 2.548 368 V HA -0.133 3.997 4.120 0.016 0.000 0.249 368 V C 2.524 178.596 176.094 -0.038 0.000 1.055 368 V CA 1.425 63.751 62.300 0.043 0.000 1.065 368 V CB -0.558 31.257 31.823 -0.012 0.000 0.681 368 V HN 0.394 nan 8.190 nan 0.000 0.462 369 I N -0.328 120.174 120.570 -0.114 0.000 2.208 369 I HA -0.213 3.966 4.170 0.016 0.000 0.245 369 I C 1.591 177.652 176.117 -0.093 0.000 1.097 369 I CA 0.967 62.177 61.300 -0.151 0.000 1.363 369 I CB -0.151 37.691 38.000 -0.263 0.000 1.051 369 I HN 0.284 nan 8.210 nan 0.000 0.413 370 Q N 2.094 121.865 119.800 -0.048 0.000 2.442 370 Q HA 0.264 4.613 4.340 0.016 0.000 0.244 370 Q C -0.224 175.764 176.000 -0.020 0.000 1.302 370 Q CA 0.607 56.396 55.803 -0.023 0.000 0.889 370 Q CB -0.394 28.348 28.738 0.006 0.000 1.578 370 Q HN 0.335 nan 8.270 nan 0.000 0.526 379 V N 1.067 120.988 119.914 0.012 0.000 2.725 379 V HA 0.055 4.185 4.120 0.016 0.000 0.247 379 V C 2.421 178.536 176.094 0.036 0.000 1.058 379 V CA 1.216 63.529 62.300 0.021 0.000 1.080 379 V CB -0.234 31.588 31.823 -0.000 0.000 0.713 379 V HN 0.287 nan 8.190 nan 0.000 0.465 380 M N 0.279 119.897 119.600 0.029 0.000 2.132 380 M HA -0.170 4.320 4.480 0.016 0.000 0.263 380 M C 2.349 178.671 176.300 0.037 0.000 1.065 380 M CA 2.164 57.487 55.300 0.039 0.000 1.122 380 M CB -0.374 32.244 32.600 0.029 0.000 1.365 380 M HN 0.540 nan 8.290 nan 0.000 0.411 381 T N 0.920 115.490 114.554 0.026 0.000 2.536 381 T HA -0.160 4.200 4.350 0.016 0.000 0.263 381 T C -0.774 173.946 174.700 0.033 0.000 1.115 381 T CA 1.741 63.855 62.100 0.023 0.000 1.180 381 T CB -2.401 66.476 68.868 0.015 0.000 0.864 381 T HN 0.356 nan 8.240 nan 0.000 0.419 382 P HA -0.009 nan 4.420 nan 0.000 0.220 382 P C 1.570 178.910 177.300 0.067 0.000 1.148 382 P CA 1.002 64.138 63.100 0.060 0.000 0.803 382 P CB -0.186 31.563 31.700 0.083 0.000 0.782 383 M N -0.587 119.054 119.600 0.069 0.000 2.132 383 M HA -0.073 4.416 4.480 0.016 0.000 0.263 383 M C 2.193 178.532 176.300 0.065 0.000 1.065 383 M CA 1.134 56.485 55.300 0.085 0.000 1.122 383 M CB -1.535 31.134 32.600 0.115 0.000 1.365 383 M HN -0.181 nan 8.290 nan 0.000 0.411 384 V N 0.390 120.331 119.914 0.046 0.000 2.343 384 V HA -0.265 3.865 4.120 0.016 0.000 0.247 384 V C 2.163 178.272 176.094 0.026 0.000 1.051 384 V CA 1.833 64.148 62.300 0.026 0.000 1.036 384 V CB -0.676 31.154 31.823 0.010 0.000 0.654 384 V HN 0.362 nan 8.190 nan 0.000 0.451 385 D N 0.053 120.472 120.400 0.033 0.000 2.103 385 D HA -0.182 4.468 4.640 0.016 0.000 0.190 385 D C 1.979 178.307 176.300 0.047 0.000 0.997 385 D CA 1.586 55.608 54.000 0.037 0.000 0.833 385 D CB -0.192 40.632 40.800 0.040 0.000 0.961 385 D HN 0.232 nan 8.370 nan 0.000 0.447 386 I N 0.948 121.549 120.570 0.052 0.000 2.280 386 I HA -0.326 3.854 4.170 0.016 0.000 0.226 386 I C 2.762 178.912 176.117 0.055 0.000 0.970 386 I CA 1.153 62.485 61.300 0.054 0.000 1.279 386 I CB -1.490 36.544 38.000 0.057 0.000 0.984 386 I HN 0.132 nan 8.210 nan 0.000 0.382 387 L N -1.281 119.971 121.223 0.048 0.000 2.127 387 L HA -0.222 4.128 4.340 0.016 0.000 0.211 387 L C 2.452 179.376 176.870 0.090 0.000 1.089 387 L CA 1.029 55.898 54.840 0.049 0.000 0.757 387 L CB -0.319 41.751 42.059 0.019 0.000 0.899 387 L HN 0.319 nan 8.230 nan 0.000 0.434 388 M N -1.057 118.587 119.600 0.073 0.000 2.349 388 M HA -0.134 4.355 4.480 0.016 0.000 0.266 388 M C 2.128 178.530 176.300 0.169 0.000 1.076 388 M CA 1.447 56.808 55.300 0.102 0.000 1.126 388 M CB -0.650 31.969 32.600 0.031 0.000 1.392 388 M HN 0.113 nan 8.290 nan 0.000 0.440 389 K N 0.152 120.620 120.400 0.113 0.000 2.007 389 K HA -0.012 4.318 4.320 0.016 0.000 0.206 389 K C 1.995 178.655 176.600 0.101 0.000 1.047 389 K CA 0.862 57.208 56.287 0.098 0.000 0.937 389 K CB -0.154 32.385 32.500 0.065 0.000 0.718 389 K HN 0.206 nan 8.250 nan 0.000 0.438 390 L N 0.304 121.584 121.223 0.095 0.000 2.064 390 L HA -0.277 4.073 4.340 0.016 0.000 0.216 390 L C 2.350 179.287 176.870 0.110 0.000 1.077 390 L CA 1.561 56.451 54.840 0.083 0.000 0.766 390 L CB -0.506 41.599 42.059 0.076 0.000 0.890 390 L HN 0.221 nan 8.230 nan 0.000 0.435 391 F N 0.685 120.641 119.950 0.010 0.000 2.095 391 F HA -0.242 4.295 4.527 0.016 0.000 0.298 391 F C 2.694 178.501 175.800 0.012 0.000 1.104 391 F CA 1.568 59.575 58.000 0.012 0.000 1.232 391 F CB -0.114 38.894 39.000 0.013 0.000 0.987 391 F HN -0.149 nan 8.300 nan 0.000 0.475 392 R N 0.160 120.687 120.500 0.045 0.000 2.189 392 R HA -0.155 4.194 4.340 0.016 0.000 0.223 392 R C 2.019 178.259 176.300 -0.101 0.000 1.092 392 R CA 1.099 57.164 56.100 -0.058 0.000 0.989 392 R CB -0.699 29.640 30.300 0.065 0.000 0.876 392 R HN 0.444 nan 8.270 nan 0.000 0.457 393 N N 0.829 119.491 118.700 -0.064 0.000 2.573 393 N HA -0.117 4.633 4.740 0.016 0.000 0.187 393 N C 1.137 176.598 175.510 -0.081 0.000 1.107 393 N CA 0.900 53.920 53.050 -0.051 0.000 0.918 393 N CB 0.266 38.742 38.487 -0.018 0.000 0.966 393 N HN 0.301 nan 8.380 nan 0.000 0.448 394 M N -2.153 117.359 119.600 -0.147 0.000 2.231 394 M HA 0.312 4.802 4.480 0.016 0.000 0.347 394 M C -0.599 175.573 176.300 -0.213 0.000 0.901 394 M CA -0.153 55.058 55.300 -0.147 0.000 1.064 394 M CB 1.205 33.736 32.600 -0.115 0.000 1.861 394 M HN -0.283 nan 8.290 nan 0.000 0.638 395 V N 2.454 122.168 119.914 -0.333 0.000 2.407 395 V HA 0.362 4.492 4.120 0.016 0.000 0.291 395 V C -0.040 175.921 176.094 -0.222 0.000 1.018 395 V CA -0.542 61.538 62.300 -0.366 0.000 0.842 395 V CB 1.431 32.777 31.823 -0.795 0.000 0.996 395 V HN 0.294 nan 8.190 nan 0.000 0.426 396 N N 2.560 121.187 118.700 -0.121 0.000 2.202 396 N HA 0.056 4.805 4.740 0.016 0.000 0.191 396 N C 0.874 176.365 175.510 -0.032 0.000 1.054 396 N CA 0.858 53.869 53.050 -0.064 0.000 0.877 396 N CB 0.070 38.534 38.487 -0.039 0.000 1.057 396 N HN 0.468 nan 8.380 nan 0.000 0.456 404 T N 2.879 117.550 114.554 0.195 0.000 3.043 404 T HA 0.360 4.720 4.350 0.016 0.000 0.272 404 T C -0.418 174.169 174.700 -0.188 0.000 0.990 404 T CA 0.064 62.247 62.100 0.137 0.000 0.897 404 T CB 0.340 69.212 68.868 0.007 0.000 1.111 404 T HN 0.361 nan 8.240 nan 0.000 0.529 405 L N 1.168 122.298 121.223 -0.155 0.000 2.591 405 L HA 0.539 4.889 4.340 0.016 0.000 0.257 405 L C -2.504 174.310 176.870 -0.093 0.000 0.935 405 L CA -0.725 53.869 54.840 -0.411 0.000 0.873 405 L CB 1.843 43.694 42.059 -0.347 0.000 1.397 405 L HN 0.054 nan 8.230 nan 0.000 0.414 406 L N 3.417 124.588 121.223 -0.087 0.000 2.401 406 L HA 0.801 5.150 4.340 0.016 0.000 0.266 406 L C -0.511 176.367 176.870 0.012 0.000 0.991 406 L CA -0.354 54.527 54.840 0.067 0.000 0.818 406 L CB 2.239 44.419 42.059 0.201 0.000 1.321 406 L HN 0.820 nan 8.230 nan 0.000 0.413 407 S N 1.071 116.787 115.700 0.027 0.000 2.535 407 S HA 0.737 5.217 4.470 0.016 0.000 0.272 407 S C -1.248 173.352 174.600 -0.001 0.000 1.149 407 S CA -0.799 57.408 58.200 0.012 0.000 0.888 407 S CB 1.705 64.909 63.200 0.006 0.000 1.110 407 S HN 0.199 nan 8.310 nan 0.000 0.463 408 V N 1.329 121.227 119.914 -0.026 0.000 2.547 408 V HA 0.721 4.851 4.120 0.016 0.000 0.299 408 V C 0.029 176.051 176.094 -0.121 0.000 1.040 408 V CA -0.702 61.533 62.300 -0.107 0.000 0.913 408 V CB 1.320 33.042 31.823 -0.169 0.000 0.992 408 V HN 1.173 nan 8.190 nan 0.000 0.449 409 C N 5.282 124.475 119.300 -0.178 0.000 2.498 409 C HA 0.736 5.206 4.460 0.016 0.000 0.316 409 C C -0.717 174.135 174.990 -0.230 0.000 1.209 409 C CA -0.756 58.197 59.018 -0.107 0.000 1.518 409 C CB 0.241 27.979 27.740 -0.003 0.000 2.147 409 C HN 0.748 nan 8.230 nan 0.000 0.483 410 F N 5.294 125.335 119.950 0.151 0.000 2.427 410 F HA 0.600 5.137 4.527 0.016 0.000 0.346 410 F C 1.063 176.954 175.800 0.153 0.000 1.120 410 F CA -0.292 57.802 58.000 0.158 0.000 1.033 410 F CB 0.969 40.094 39.000 0.208 0.000 1.126 410 F HN 0.912 nan 8.300 nan 0.000 0.462 411 C N 0.561 120.034 119.300 0.288 0.000 3.455 411 C HA 0.514 4.984 4.460 0.016 0.000 0.357 411 C C 0.580 175.677 174.990 0.177 0.000 3.109 411 C CA -1.187 57.940 59.018 0.181 0.000 1.483 411 C CB 1.147 28.950 27.740 0.105 0.000 3.542 411 C HN 0.970 nan 8.230 nan 0.000 0.511 412 N N 0.234 119.001 118.700 0.112 0.000 2.686 412 N HA -0.151 4.599 4.740 0.016 0.000 0.261 412 N C -0.893 174.684 175.510 0.112 0.000 1.001 412 N CA -0.078 53.026 53.050 0.090 0.000 0.764 412 N CB -0.338 38.208 38.487 0.097 0.000 0.898 412 N HN 0.555 nan 8.380 nan 0.000 0.544 413 L N 1.602 122.884 121.223 0.098 0.000 2.360 413 L HA 0.292 4.642 4.340 0.016 0.000 0.276 413 L C 0.801 177.707 176.870 0.059 0.000 1.121 413 L CA 0.930 55.843 54.840 0.122 0.000 0.845 413 L CB 1.074 43.201 42.059 0.112 0.000 1.143 413 L HN 0.267 nan 8.230 nan 0.000 0.452 414 K N 0.000 120.448 120.400 0.080 0.000 2.780 414 K HA 0.000 4.330 4.320 0.016 0.000 0.191 414 K CA 0.000 56.290 56.287 0.005 0.000 0.838 414 K CB 0.000 32.390 32.500 -0.183 0.000 1.064 414 K HN 0.000 nan 8.250 nan 0.000 0.543