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 2hi9_1_C DATA FIRST_RESID 25 DATA SEQUENCE SRRDFTFDLY RALASAAPSQ NIFFSPVSIS MSLAMLSLGA GSSTKMQILE DATA SEQUENCE GLGLNLQKSS EKELHRGFQQ LLQELNQPRD GFQLSLGNAL FTDLVVDLQD DATA SEQUENCE TFVSAMKTLY LADTFPTNFR DSAGAMKQIN DYVAKQTKGK IVDLLKNLDS DATA SEQUENCE NAVVIMVNYI FFKAKWETSF NHKGTQEQDF YVTSETVVRV PMMSREDQYH DATA SEQUENCE YLLDRNLSCR VVGVPYQGNA TALFILPSEG KMQQVENGLS EKTLRKWLKM DATA SEQUENCE FKKRQLELYL PKFSIEGSYQ LEKVLPSLGI SNVFTSHADL SGISNHSNIQ DATA SEQUENCE VSEMVHKAVV EVDESGXXXX XXXXXXXXXX XXXLNSQRLV FNRPFLMFIV DATA SEQUENCE DNNILFLGKV NRP 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 S HA 0.000 nan 4.470 nan 0.000 0.327 25 S C 0.000 174.612 174.600 0.020 0.000 1.055 25 S CA 0.000 58.209 58.200 0.016 0.000 1.107 25 S CB 0.000 63.205 63.200 0.009 0.000 0.593 26 R N 2.638 123.151 120.500 0.021 0.000 2.294 26 R HA 0.486 4.826 4.340 -0.000 0.000 0.319 26 R C -0.326 176.000 176.300 0.043 0.000 0.984 26 R CA -0.705 55.411 56.100 0.027 0.000 0.861 26 R CB 1.140 31.451 30.300 0.020 0.000 1.104 26 R HN 0.564 nan 8.270 nan 0.000 0.451 27 R N 2.565 123.095 120.500 0.049 0.000 2.466 27 R HA -0.192 4.148 4.340 -0.000 0.000 0.280 27 R C -0.898 175.457 176.300 0.091 0.000 0.926 27 R CA 1.168 57.310 56.100 0.069 0.000 1.127 27 R CB 0.157 30.496 30.300 0.066 0.000 0.871 27 R HN 0.529 nan 8.270 nan 0.000 0.421 28 D N 4.557 125.029 120.400 0.120 0.000 2.319 28 D HA 0.014 4.654 4.640 -0.000 0.000 0.237 28 D C 0.006 176.404 176.300 0.162 0.000 1.353 28 D CA -0.563 53.532 54.000 0.157 0.000 0.992 28 D CB 0.162 41.070 40.800 0.181 0.000 1.368 28 D HN 0.416 nan 8.370 nan 0.000 0.564 29 F N 2.926 122.895 119.950 0.031 0.000 2.027 29 F HA -0.282 4.245 4.527 -0.000 0.000 0.297 29 F C 1.984 177.762 175.800 -0.037 0.000 1.129 29 F CA 2.436 60.434 58.000 -0.003 0.000 1.195 29 F CB -0.601 38.393 39.000 -0.011 0.000 0.960 29 F HN 0.328 nan 8.300 nan 0.000 0.485 30 T N 0.726 115.156 114.554 -0.207 0.000 2.597 30 T HA -0.278 4.072 4.350 -0.000 0.000 0.267 30 T C 1.759 176.127 174.700 -0.553 0.000 1.053 30 T CA 2.319 64.123 62.100 -0.493 0.000 1.165 30 T CB -0.847 67.645 68.868 -0.626 0.000 0.863 30 T HN 0.237 nan 8.240 nan 0.000 0.427 31 F N 1.141 121.075 119.950 -0.026 0.000 2.512 31 F HA 0.108 4.635 4.527 -0.000 0.000 0.296 31 F C 2.288 178.113 175.800 0.041 0.000 1.110 31 F CA 0.222 58.247 58.000 0.041 0.000 1.446 31 F CB -0.379 38.631 39.000 0.016 0.000 1.092 31 F HN 0.074 nan 8.300 nan 0.000 0.554 32 D N 0.116 120.557 120.400 0.068 0.000 2.149 32 D HA -0.110 4.530 4.640 -0.000 0.000 0.201 32 D C 2.306 178.535 176.300 -0.118 0.000 0.972 32 D CA 0.790 54.795 54.000 0.009 0.000 0.835 32 D CB -0.315 40.489 40.800 0.006 0.000 0.966 32 D HN 0.179 nan 8.370 nan 0.000 0.476 33 L N 0.099 121.143 121.223 -0.297 0.000 2.027 33 L HA -0.142 4.198 4.340 -0.000 0.000 0.206 33 L C 2.212 178.834 176.870 -0.414 0.000 1.074 33 L CA 1.498 56.056 54.840 -0.471 0.000 0.745 33 L CB -1.069 40.498 42.059 -0.820 0.000 0.898 33 L HN 0.015 nan 8.230 nan 0.000 0.433 34 Y N 0.768 120.909 120.300 -0.265 0.000 2.081 34 Y HA -0.316 4.234 4.550 -0.000 0.000 0.280 34 Y C 2.703 178.561 175.900 -0.071 0.000 1.163 34 Y CA 2.311 60.363 58.100 -0.079 0.000 1.135 34 Y CB -0.297 38.250 38.460 0.144 0.000 0.970 34 Y HN 0.163 nan 8.280 nan 0.000 0.498 35 R N 0.144 120.626 120.500 -0.030 0.000 2.091 35 R HA -0.190 4.150 4.340 -0.000 0.000 0.238 35 R C 2.556 178.737 176.300 -0.199 0.000 1.136 35 R CA 1.245 57.292 56.100 -0.089 0.000 0.959 35 R CB -0.799 29.543 30.300 0.069 0.000 0.856 35 R HN 0.494 nan 8.270 nan 0.000 0.437 36 A N 1.381 124.081 122.820 -0.201 0.000 1.883 36 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 36 A C 2.195 179.620 177.584 -0.264 0.000 1.186 36 A CA 1.336 53.251 52.037 -0.204 0.000 0.624 36 A CB -0.597 18.274 19.000 -0.216 0.000 0.822 36 A HN 0.197 nan 8.150 nan 0.000 0.444 37 L N -1.067 119.912 121.223 -0.407 0.000 2.141 37 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 37 L C 3.041 179.724 176.870 -0.311 0.000 1.094 37 L CA 0.775 55.368 54.840 -0.411 0.000 0.763 37 L CB -0.511 41.132 42.059 -0.692 0.000 0.908 37 L HN 0.462 nan 8.230 nan 0.000 0.437 38 A N -0.325 122.238 122.820 -0.428 0.000 1.841 38 A HA -0.173 4.147 4.320 -0.000 0.000 0.214 38 A C 2.481 179.977 177.584 -0.146 0.000 1.195 38 A CA 1.899 53.745 52.037 -0.319 0.000 0.611 38 A CB -0.726 18.004 19.000 -0.450 0.000 0.835 38 A HN 0.331 nan 8.150 nan 0.000 0.443 39 S N 0.113 115.734 115.700 -0.133 0.000 2.420 39 S HA -0.102 4.368 4.470 -0.000 0.000 0.237 39 S C 2.026 176.594 174.600 -0.054 0.000 1.023 39 S CA 1.225 59.384 58.200 -0.068 0.000 0.991 39 S CB -0.382 62.783 63.200 -0.059 0.000 0.792 39 S HN 0.796 nan 8.310 nan 0.000 0.488 40 A N 0.183 122.960 122.820 -0.070 0.000 2.123 40 A HA 0.566 4.886 4.320 -0.000 0.000 0.214 40 A C 1.302 178.876 177.584 -0.016 0.000 1.152 40 A CA 0.847 52.858 52.037 -0.043 0.000 0.728 40 A CB -0.064 18.906 19.000 -0.051 0.000 0.814 40 A HN 0.456 nan 8.150 nan 0.000 0.464 41 A N -0.557 122.254 122.820 -0.014 0.000 3.253 41 A HA 0.588 4.908 4.320 -0.000 0.000 0.290 41 A C -1.364 176.228 177.584 0.014 0.000 0.950 41 A CA -0.961 51.084 52.037 0.013 0.000 0.986 41 A CB 0.165 19.194 19.000 0.047 0.000 1.104 41 A HN 0.106 nan 8.150 nan 0.000 0.481 42 P HA -0.244 nan 4.420 nan 0.000 0.227 42 P C 0.747 178.068 177.300 0.035 0.000 1.106 42 P CA 2.009 65.120 63.100 0.019 0.000 0.998 42 P CB 0.168 31.878 31.700 0.017 0.000 0.769 43 S N -0.216 115.505 115.700 0.035 0.000 2.514 43 S HA 0.298 4.767 4.470 -0.000 0.000 0.179 43 S C -0.153 174.473 174.600 0.042 0.000 1.409 43 S CA -0.424 57.802 58.200 0.045 0.000 1.138 43 S CB -0.198 63.026 63.200 0.041 0.000 1.217 43 S HN 0.146 nan 8.310 nan 0.000 0.493 44 Q N 0.629 120.458 119.800 0.049 0.000 2.511 44 Q HA 0.397 4.737 4.340 -0.000 0.000 0.289 44 Q C -1.352 174.687 176.000 0.066 0.000 1.021 44 Q CA -1.235 54.596 55.803 0.048 0.000 0.785 44 Q CB 0.910 29.676 28.738 0.048 0.000 1.472 44 Q HN 0.155 nan 8.270 nan 0.000 0.411 45 N N 0.895 119.631 118.700 0.060 0.000 2.530 45 N HA 0.312 5.052 4.740 -0.000 0.000 0.273 45 N C -0.797 174.827 175.510 0.190 0.000 1.173 45 N CA 0.181 53.281 53.050 0.083 0.000 0.967 45 N CB 0.606 39.112 38.487 0.032 0.000 1.109 45 N HN 0.394 nan 8.380 nan 0.000 0.453 46 I N 1.991 122.724 120.570 0.271 0.000 2.474 46 I HA 0.436 4.606 4.170 -0.000 0.000 0.294 46 I C -0.745 175.719 176.117 0.578 0.000 1.005 46 I CA -0.574 60.963 61.300 0.395 0.000 1.113 46 I CB 0.887 39.064 38.000 0.295 0.000 1.289 46 I HN 0.361 nan 8.210 nan 0.000 0.436 47 F N 8.910 129.163 119.950 0.505 0.000 2.839 47 F HA 0.517 5.044 4.527 -0.000 0.000 0.344 47 F C -1.380 174.803 175.800 0.638 0.000 1.242 47 F CA -0.911 57.366 58.000 0.463 0.000 1.091 47 F CB 1.021 40.221 39.000 0.334 0.000 1.374 47 F HN 0.315 nan 8.300 nan 0.000 0.553 48 F N 2.128 121.908 119.950 -0.283 0.000 2.715 48 F HA 0.779 5.306 4.527 -0.000 0.000 0.318 48 F C -1.332 174.403 175.800 -0.110 0.000 1.141 48 F CA -1.500 56.485 58.000 -0.026 0.000 0.950 48 F CB 1.336 40.325 39.000 -0.020 0.000 1.374 48 F HN 0.192 nan 8.300 nan 0.000 0.477 49 S N 1.712 117.510 115.700 0.164 0.000 2.520 49 S HA 0.504 4.973 4.470 -0.000 0.000 0.324 49 S C -2.213 172.262 174.600 -0.208 0.000 1.069 49 S CA -1.548 56.504 58.200 -0.247 0.000 1.121 49 S CB 0.888 63.992 63.200 -0.160 0.000 0.971 49 S HN 0.487 nan 8.310 nan 0.000 0.463 50 P HA -0.096 nan 4.420 nan 0.000 0.216 50 P C 1.598 178.877 177.300 -0.034 0.000 1.153 50 P CA 0.488 63.509 63.100 -0.131 0.000 0.848 50 P CB 0.113 31.630 31.700 -0.306 0.000 0.787 51 V N -0.528 119.302 119.914 -0.140 0.000 2.343 51 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 51 V C 2.486 178.557 176.094 -0.038 0.000 1.051 51 V CA 2.606 64.864 62.300 -0.070 0.000 1.036 51 V CB -1.182 30.559 31.823 -0.137 0.000 0.654 51 V HN 0.146 nan 8.190 nan 0.000 0.451 52 S N -0.696 114.950 115.700 -0.089 0.000 2.368 52 S HA -0.136 4.334 4.470 -0.000 0.000 0.225 52 S C 1.848 176.431 174.600 -0.029 0.000 1.030 52 S CA 2.001 60.181 58.200 -0.035 0.000 0.999 52 S CB -0.426 62.797 63.200 0.037 0.000 0.844 52 S HN 0.606 nan 8.310 nan 0.000 0.459 53 I N 1.634 122.166 120.570 -0.064 0.000 2.353 53 I HA -0.127 4.043 4.170 -0.000 0.000 0.248 53 I C 2.620 178.733 176.117 -0.006 0.000 1.119 53 I CA 1.324 62.591 61.300 -0.055 0.000 1.417 53 I CB -0.430 37.531 38.000 -0.065 0.000 1.078 53 I HN 0.456 nan 8.210 nan 0.000 0.421 54 S N 0.615 116.332 115.700 0.028 0.000 2.423 54 S HA -0.217 4.253 4.470 -0.000 0.000 0.231 54 S C 1.943 176.369 174.600 -0.290 0.000 1.014 54 S CA 0.966 59.069 58.200 -0.162 0.000 0.965 54 S CB -0.446 62.740 63.200 -0.024 0.000 0.785 54 S HN 0.351 nan 8.310 nan 0.000 0.495 55 M N 2.445 121.950 119.600 -0.157 0.000 2.099 55 M HA 0.030 4.510 4.480 -0.000 0.000 0.262 55 M C 2.175 178.308 176.300 -0.278 0.000 1.067 55 M CA 1.667 56.850 55.300 -0.195 0.000 1.124 55 M CB -0.722 31.880 32.600 0.003 0.000 1.353 55 M HN 0.269 nan 8.290 nan 0.000 0.410 56 S N 0.502 116.099 115.700 -0.172 0.000 2.383 56 S HA -0.115 4.354 4.470 -0.000 0.000 0.229 56 S C 1.835 176.312 174.600 -0.204 0.000 1.030 56 S CA 1.532 59.640 58.200 -0.153 0.000 1.002 56 S CB -0.638 62.540 63.200 -0.036 0.000 0.829 56 S HN 0.503 nan 8.310 nan 0.000 0.467 57 L N 0.963 122.054 121.223 -0.220 0.000 2.056 57 L HA -0.081 4.259 4.340 -0.000 0.000 0.207 57 L C 2.816 179.488 176.870 -0.330 0.000 1.078 57 L CA 1.114 55.816 54.840 -0.230 0.000 0.749 57 L CB -0.708 41.204 42.059 -0.246 0.000 0.901 57 L HN 0.318 nan 8.230 nan 0.000 0.433 58 A N -0.259 122.248 122.820 -0.522 0.000 1.908 58 A HA -0.298 4.022 4.320 -0.000 0.000 0.218 58 A C 2.350 179.671 177.584 -0.439 0.000 1.181 58 A CA 2.100 53.763 52.037 -0.623 0.000 0.627 58 A CB -0.597 17.643 19.000 -1.267 0.000 0.818 58 A HN 0.421 nan 8.150 nan 0.000 0.445 59 M N -1.124 118.067 119.600 -0.682 0.000 2.108 59 M HA -0.154 4.326 4.480 -0.000 0.000 0.261 59 M C 2.063 178.165 176.300 -0.330 0.000 1.066 59 M CA 2.006 56.769 55.300 -0.896 0.000 1.107 59 M CB -0.186 31.853 32.600 -0.936 0.000 1.356 59 M HN 0.421 nan 8.290 nan 0.000 0.406 60 L N 0.266 121.368 121.223 -0.201 0.000 2.141 60 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 60 L C 2.551 179.411 176.870 -0.016 0.000 1.094 60 L CA 2.157 56.969 54.840 -0.047 0.000 0.763 60 L CB -0.658 41.358 42.059 -0.072 0.000 0.908 60 L HN 0.511 nan 8.230 nan 0.000 0.437 61 S N -1.160 114.508 115.700 -0.053 0.000 2.419 61 S HA -0.196 4.274 4.470 -0.000 0.000 0.233 61 S C 1.992 176.646 174.600 0.089 0.000 1.016 61 S CA 1.127 59.325 58.200 -0.003 0.000 0.974 61 S CB -0.936 62.250 63.200 -0.023 0.000 0.786 61 S HN 0.369 nan 8.310 nan 0.000 0.492 62 L N 2.035 123.342 121.223 0.140 0.000 2.261 62 L HA 0.172 4.512 4.340 -0.000 0.000 0.216 62 L C 2.050 179.045 176.870 0.208 0.000 1.114 62 L CA 1.625 56.530 54.840 0.108 0.000 0.777 62 L CB -0.880 41.192 42.059 0.021 0.000 0.910 62 L HN 0.533 nan 8.230 nan 0.000 0.440 63 G N -2.207 106.730 108.800 0.227 0.000 3.453 63 G HA2 0.494 4.454 3.960 -0.000 0.000 0.263 63 G HA3 0.494 4.454 3.960 -0.000 0.000 0.263 63 G C 0.270 175.077 174.900 -0.155 0.000 1.060 63 G CA 0.385 45.442 45.100 -0.071 0.000 0.793 63 G HN 0.459 nan 8.290 nan 0.000 0.532 64 A N -0.421 122.358 122.820 -0.067 0.000 2.281 64 A HA 0.925 5.245 4.320 -0.000 0.000 0.329 64 A C 0.310 177.861 177.584 -0.055 0.000 1.122 64 A CA -0.055 51.931 52.037 -0.084 0.000 0.850 64 A CB 1.426 20.376 19.000 -0.084 0.000 1.207 64 A HN 0.712 nan 8.150 nan 0.000 0.495 65 G N -1.034 107.732 108.800 -0.057 0.000 2.642 65 G HA2 0.663 4.622 3.960 -0.000 0.000 0.293 65 G HA3 0.663 4.622 3.960 -0.000 0.000 0.293 65 G C 0.133 175.013 174.900 -0.034 0.000 1.341 65 G CA 0.510 45.587 45.100 -0.038 0.000 0.916 65 G HN 2.240 nan 8.290 nan 0.000 0.474 66 S N -0.246 115.440 115.700 -0.023 0.000 3.687 66 S HA -0.374 4.096 4.470 -0.000 0.000 0.619 66 S C 2.228 176.814 174.600 -0.024 0.000 2.483 66 S CA 2.501 60.689 58.200 -0.020 0.000 4.088 66 S CB -1.795 61.394 63.200 -0.019 0.000 0.326 66 S HN 2.393 nan 8.310 nan 0.000 0.982 67 S N 0.483 116.168 115.700 -0.024 0.000 2.400 67 S HA -0.136 4.334 4.470 -0.000 0.000 0.232 67 S C 1.756 176.333 174.600 -0.038 0.000 1.025 67 S CA 1.988 60.172 58.200 -0.027 0.000 0.993 67 S CB -1.589 61.597 63.200 -0.024 0.000 0.808 67 S HN 0.873 nan 8.310 nan 0.000 0.478 68 T N 2.043 116.569 114.554 -0.047 0.000 2.746 68 T HA -0.055 4.294 4.350 -0.000 0.000 0.267 68 T C 1.774 176.425 174.700 -0.082 0.000 1.039 68 T CA 1.737 63.792 62.100 -0.074 0.000 1.142 68 T CB -0.298 68.519 68.868 -0.085 0.000 0.866 68 T HN 0.670 nan 8.240 nan 0.000 0.444 69 K N 0.291 120.655 120.400 -0.060 0.000 2.062 69 K HA 0.007 4.327 4.320 -0.000 0.000 0.205 69 K C 2.187 178.761 176.600 -0.043 0.000 1.051 69 K CA 0.933 57.191 56.287 -0.050 0.000 0.941 69 K CB -0.066 32.419 32.500 -0.025 0.000 0.719 69 K HN 0.106 nan 8.250 nan 0.000 0.440 70 M N 1.079 120.659 119.600 -0.034 0.000 2.229 70 M HA -0.109 4.371 4.480 -0.000 0.000 0.264 70 M C 1.932 178.212 176.300 -0.033 0.000 1.063 70 M CA 1.525 56.808 55.300 -0.027 0.000 1.114 70 M CB -0.806 31.782 32.600 -0.019 0.000 1.387 70 M HN 0.254 nan 8.290 nan 0.000 0.420 71 Q N -0.041 119.735 119.800 -0.040 0.000 2.119 71 Q HA -0.083 4.257 4.340 -0.000 0.000 0.201 71 Q C 2.161 178.134 176.000 -0.046 0.000 0.972 71 Q CA 1.153 56.936 55.803 -0.033 0.000 0.847 71 Q CB -0.071 28.646 28.738 -0.035 0.000 0.903 71 Q HN 0.493 nan 8.270 nan 0.000 0.433 72 I N 0.578 121.103 120.570 -0.075 0.000 2.163 72 I HA -0.298 3.872 4.170 -0.000 0.000 0.240 72 I C 2.214 178.258 176.117 -0.122 0.000 1.081 72 I CA 1.108 62.343 61.300 -0.108 0.000 1.353 72 I CB -0.289 37.632 38.000 -0.131 0.000 1.054 72 I HN 0.204 nan 8.210 nan 0.000 0.407 73 L N 0.313 121.480 121.223 -0.093 0.000 2.042 73 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 73 L C 2.464 179.297 176.870 -0.061 0.000 1.076 73 L CA 1.610 56.402 54.840 -0.080 0.000 0.749 73 L CB -0.679 41.353 42.059 -0.045 0.000 0.893 73 L HN 0.307 nan 8.230 nan 0.000 0.432 74 E N -0.081 120.095 120.200 -0.041 0.000 2.152 74 E HA -0.109 4.240 4.350 -0.000 0.000 0.192 74 E C 2.248 178.840 176.600 -0.015 0.000 0.983 74 E CA 0.825 57.213 56.400 -0.020 0.000 0.818 74 E CB -0.220 29.476 29.700 -0.008 0.000 0.758 74 E HN 0.545 nan 8.360 nan 0.000 0.467 75 G N 1.384 110.166 108.800 -0.030 0.000 2.408 75 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.217 75 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.217 75 G C 1.500 176.360 174.900 -0.067 0.000 1.150 75 G CA 0.279 45.379 45.100 0.000 0.000 0.776 75 G HN 0.107 nan 8.290 nan 0.000 0.542 76 L N 0.567 121.651 121.223 -0.232 0.000 2.610 76 L HA 0.190 4.530 4.340 -0.000 0.000 0.232 76 L C 2.131 178.936 176.870 -0.108 0.000 1.149 76 L CA 0.422 55.029 54.840 -0.389 0.000 0.872 76 L CB -0.167 41.674 42.059 -0.364 0.000 0.992 76 L HN 0.381 nan 8.230 nan 0.000 0.447 77 G N 0.003 108.788 108.800 -0.025 0.000 2.153 77 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.252 77 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.252 77 G C 0.140 175.045 174.900 0.007 0.000 0.994 77 G CA -0.228 44.885 45.100 0.021 0.000 0.698 77 G HN 0.115 nan 8.290 nan 0.000 0.521 78 L N 0.617 121.836 121.223 -0.006 0.000 2.483 78 L HA 0.253 4.593 4.340 -0.000 0.000 0.275 78 L C 0.902 177.769 176.870 -0.006 0.000 1.220 78 L CA -0.294 54.546 54.840 -0.001 0.000 0.833 78 L CB 0.380 42.448 42.059 0.015 0.000 1.102 78 L HN 0.262 nan 8.230 nan 0.000 0.490 79 N N 2.570 121.261 118.700 -0.014 0.000 2.602 79 N HA 0.117 4.857 4.740 -0.000 0.000 0.238 79 N C 0.668 176.172 175.510 -0.010 0.000 1.084 79 N CA 0.012 53.054 53.050 -0.012 0.000 0.952 79 N CB 0.301 38.777 38.487 -0.019 0.000 1.244 79 N HN 0.543 nan 8.380 nan 0.000 0.512 80 L N 1.603 122.823 121.223 -0.004 0.000 2.478 80 L HA -0.019 4.321 4.340 -0.000 0.000 0.223 80 L C 2.259 179.128 176.870 -0.000 0.000 1.140 80 L CA 0.429 55.269 54.840 -0.000 0.000 0.842 80 L CB -0.047 42.013 42.059 0.001 0.000 0.953 80 L HN 0.544 nan 8.230 nan 0.000 0.452 81 Q N 1.524 121.322 119.800 -0.003 0.000 2.083 81 Q HA -0.215 4.125 4.340 -0.000 0.000 0.198 81 Q C 2.148 178.145 176.000 -0.004 0.000 0.969 81 Q CA 1.835 57.636 55.803 -0.003 0.000 0.838 81 Q CB 0.214 28.951 28.738 -0.003 0.000 0.900 81 Q HN 0.591 nan 8.270 nan 0.000 0.436 82 K N -1.470 118.926 120.400 -0.007 0.000 2.276 82 K HA 0.209 4.529 4.320 -0.000 0.000 0.198 82 K C 0.376 176.971 176.600 -0.009 0.000 1.052 82 K CA 0.309 56.591 56.287 -0.009 0.000 0.984 82 K CB 0.478 32.970 32.500 -0.013 0.000 0.836 82 K HN -0.136 nan 8.250 nan 0.000 0.490 83 S N 0.923 116.617 115.700 -0.009 0.000 2.638 83 S HA 0.347 4.817 4.470 -0.000 0.000 0.298 83 S C -0.571 174.033 174.600 0.006 0.000 1.111 83 S CA -0.814 57.382 58.200 -0.006 0.000 1.027 83 S CB 1.708 64.898 63.200 -0.016 0.000 1.064 83 S HN 0.461 nan 8.310 nan 0.000 0.525 84 S N 0.484 116.193 115.700 0.016 0.000 2.654 84 S HA 0.362 4.832 4.470 -0.000 0.000 0.283 84 S C 0.712 175.345 174.600 0.056 0.000 1.180 84 S CA -0.747 57.472 58.200 0.031 0.000 1.021 84 S CB 0.698 63.916 63.200 0.030 0.000 1.018 84 S HN 0.717 nan 8.310 nan 0.000 0.532 85 E N 1.043 121.292 120.200 0.081 0.000 2.118 85 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 85 E C 1.752 178.498 176.600 0.243 0.000 0.992 85 E CA 1.244 57.735 56.400 0.153 0.000 0.804 85 E CB -0.194 29.611 29.700 0.175 0.000 0.741 85 E HN 0.634 nan 8.360 nan 0.000 0.458 86 K N 0.838 121.331 120.400 0.156 0.000 2.063 86 K HA -0.190 4.130 4.320 -0.000 0.000 0.208 86 K C 2.073 178.744 176.600 0.118 0.000 1.048 86 K CA 1.458 57.825 56.287 0.132 0.000 0.928 86 K CB -0.070 32.467 32.500 0.061 0.000 0.713 86 K HN 0.177 nan 8.250 nan 0.000 0.442 87 E N 0.739 120.983 120.200 0.073 0.000 2.107 87 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 87 E C 2.083 178.701 176.600 0.031 0.000 0.982 87 E CA 0.710 57.131 56.400 0.036 0.000 0.809 87 E CB -0.058 29.648 29.700 0.009 0.000 0.756 87 E HN 0.193 nan 8.360 nan 0.000 0.459 88 L N 0.198 121.449 121.223 0.046 0.000 2.017 88 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 88 L C 2.319 179.259 176.870 0.117 0.000 1.073 88 L CA 1.565 56.418 54.840 0.022 0.000 0.745 88 L CB -0.521 41.550 42.059 0.019 0.000 0.894 88 L HN 0.181 nan 8.230 nan 0.000 0.432 89 H N -1.100 118.091 119.070 0.201 0.000 2.421 89 H HA -0.074 4.482 4.556 -0.000 0.000 0.298 89 H C 2.410 177.785 175.328 0.079 0.000 1.087 89 H CA 0.970 57.156 56.048 0.229 0.000 1.330 89 H CB 0.113 29.971 29.762 0.160 0.000 1.388 89 H HN 0.068 nan 8.280 nan 0.000 0.526 90 R N 0.066 120.643 120.500 0.127 0.000 2.075 90 R HA -0.054 4.285 4.340 -0.000 0.000 0.232 90 R C 2.471 178.754 176.300 -0.028 0.000 1.126 90 R CA 1.053 57.164 56.100 0.017 0.000 0.963 90 R CB -0.741 29.561 30.300 0.004 0.000 0.858 90 R HN 0.470 nan 8.270 nan 0.000 0.435 91 G N 0.172 108.939 108.800 -0.056 0.000 2.459 91 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.217 91 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.217 91 G C 1.313 176.111 174.900 -0.171 0.000 1.183 91 G CA 0.497 45.502 45.100 -0.157 0.000 0.776 91 G HN 0.186 nan 8.290 nan 0.000 0.552 92 F N 1.195 121.109 119.950 -0.060 0.000 2.095 92 F HA -0.110 4.416 4.527 -0.000 0.000 0.298 92 F C 3.160 178.891 175.800 -0.115 0.000 1.104 92 F CA 1.847 59.823 58.000 -0.040 0.000 1.232 92 F CB -0.573 38.467 39.000 0.066 0.000 0.987 92 F HN 0.186 nan 8.300 nan 0.000 0.475 93 Q N -0.570 119.201 119.800 -0.048 0.000 2.124 93 Q HA -0.272 4.068 4.340 -0.000 0.000 0.202 93 Q C 2.252 178.183 176.000 -0.116 0.000 0.977 93 Q CA 1.663 57.328 55.803 -0.229 0.000 0.850 93 Q CB -0.375 28.178 28.738 -0.308 0.000 0.901 93 Q HN 0.542 nan 8.270 nan 0.000 0.429 94 Q N 0.374 120.124 119.800 -0.083 0.000 2.083 94 Q HA -0.163 4.177 4.340 -0.000 0.000 0.198 94 Q C 2.115 178.080 176.000 -0.058 0.000 0.969 94 Q CA 0.791 56.552 55.803 -0.070 0.000 0.838 94 Q CB 0.000 28.696 28.738 -0.070 0.000 0.900 94 Q HN 0.312 nan 8.270 nan 0.000 0.436 95 L N 0.886 122.075 121.223 -0.058 0.000 2.042 95 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 95 L C 2.032 178.891 176.870 -0.018 0.000 1.076 95 L CA 1.579 56.392 54.840 -0.045 0.000 0.749 95 L CB -0.737 41.290 42.059 -0.053 0.000 0.893 95 L HN 0.339 nan 8.230 nan 0.000 0.432 96 L N -1.129 120.095 121.223 0.003 0.000 2.046 96 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 96 L C 2.566 179.423 176.870 -0.021 0.000 1.077 96 L CA 1.453 56.295 54.840 0.004 0.000 0.747 96 L CB -0.179 41.891 42.059 0.018 0.000 0.896 96 L HN 0.400 nan 8.230 nan 0.000 0.432 97 Q N 0.108 119.886 119.800 -0.036 0.000 2.170 97 Q HA -0.224 4.116 4.340 -0.000 0.000 0.203 97 Q C 1.930 177.914 176.000 -0.028 0.000 0.976 97 Q CA 1.760 57.542 55.803 -0.035 0.000 0.858 97 Q CB 0.072 28.785 28.738 -0.042 0.000 0.907 97 Q HN 0.560 nan 8.270 nan 0.000 0.433 98 E N -0.452 119.730 120.200 -0.030 0.000 2.028 98 E HA -0.134 4.216 4.350 -0.000 0.000 0.190 98 E C 1.986 178.570 176.600 -0.027 0.000 0.984 98 E CA 1.089 57.473 56.400 -0.027 0.000 0.800 98 E CB -0.214 29.467 29.700 -0.032 0.000 0.758 98 E HN 0.319 nan 8.360 nan 0.000 0.448 99 L N 1.220 122.423 121.223 -0.032 0.000 2.129 99 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 99 L C 1.687 178.536 176.870 -0.034 0.000 1.087 99 L CA 1.213 56.029 54.840 -0.040 0.000 0.757 99 L CB -0.581 41.447 42.059 -0.052 0.000 0.896 99 L HN 0.158 nan 8.230 nan 0.000 0.434 100 N N -0.475 118.208 118.700 -0.028 0.000 2.398 100 N HA -0.001 4.739 4.740 -0.000 0.000 0.188 100 N C 0.773 176.274 175.510 -0.014 0.000 1.122 100 N CA -0.144 52.892 53.050 -0.023 0.000 0.866 100 N CB 0.097 38.572 38.487 -0.020 0.000 0.970 100 N HN 0.423 nan 8.380 nan 0.000 0.462 101 Q N 2.159 121.951 119.800 -0.013 0.000 2.297 101 Q HA 0.238 4.578 4.340 -0.000 0.000 0.267 101 Q C -2.446 173.553 176.000 -0.000 0.000 1.006 101 Q CA -1.451 54.348 55.803 -0.006 0.000 0.896 101 Q CB -0.578 28.156 28.738 -0.007 0.000 1.186 101 Q HN 0.096 nan 8.270 nan 0.000 0.392 102 P HA 0.348 nan 4.420 nan 0.000 0.271 102 P C -0.714 176.594 177.300 0.013 0.000 1.233 102 P CA -0.053 63.053 63.100 0.010 0.000 0.789 102 P CB 0.433 32.140 31.700 0.011 0.000 0.951 103 R N -1.845 118.666 120.500 0.018 0.000 3.358 103 R HA 0.308 4.648 4.340 -0.000 0.000 0.309 103 R C -1.182 175.135 176.300 0.028 0.000 0.834 103 R CA -0.476 55.638 56.100 0.023 0.000 0.993 103 R CB -1.293 29.021 30.300 0.024 0.000 1.424 103 R HN 0.405 nan 8.270 nan 0.000 0.398 104 D N 1.842 122.258 120.400 0.027 0.000 2.658 104 D HA 0.385 5.025 4.640 -0.000 0.000 0.230 104 D C 1.042 177.364 176.300 0.037 0.000 1.118 104 D CA 1.335 55.352 54.000 0.029 0.000 0.848 104 D CB 0.351 41.167 40.800 0.027 0.000 1.160 104 D HN 1.561 nan 8.370 nan 0.000 0.497 105 G N -0.811 108.010 108.800 0.035 0.000 3.313 105 G HA2 0.515 4.475 3.960 -0.000 0.000 0.563 105 G HA3 0.515 4.475 3.960 -0.000 0.000 0.563 105 G C 0.535 175.466 174.900 0.052 0.000 1.037 105 G CA 0.569 45.697 45.100 0.046 0.000 0.848 105 G HN 2.550 nan 8.290 nan 0.000 0.416 106 F N 0.396 120.371 119.950 0.041 0.000 2.800 106 F HA -0.041 4.486 4.527 -0.000 0.000 0.295 106 F C 0.681 176.529 175.800 0.080 0.000 0.804 106 F CA 1.173 59.209 58.000 0.060 0.000 1.499 106 F CB -2.084 36.948 39.000 0.054 0.000 1.634 106 F HN 1.334 nan 8.300 nan 0.000 0.460 107 Q N 0.271 120.114 119.800 0.073 0.000 2.311 107 Q HA 0.593 4.933 4.340 -0.000 0.000 0.272 107 Q C -0.214 175.844 176.000 0.097 0.000 1.012 107 Q CA 0.104 55.944 55.803 0.061 0.000 0.891 107 Q CB 1.919 30.686 28.738 0.048 0.000 1.201 107 Q HN 0.863 nan 8.270 nan 0.000 0.391 108 L N 1.885 123.131 121.223 0.038 0.000 2.356 108 L HA 0.393 4.733 4.340 -0.000 0.000 0.277 108 L C -1.081 175.718 176.870 -0.119 0.000 0.996 108 L CA -0.005 54.844 54.840 0.015 0.000 0.822 108 L CB 2.280 44.342 42.059 0.005 0.000 1.256 108 L HN 0.461 nan 8.230 nan 0.000 0.413 109 S N 5.627 121.136 115.700 -0.319 0.000 2.566 109 S HA 0.680 5.150 4.470 -0.000 0.000 0.324 109 S C -0.934 173.488 174.600 -0.298 0.000 1.081 109 S CA -0.388 57.549 58.200 -0.439 0.000 1.105 109 S CB 1.120 63.729 63.200 -0.986 0.000 0.981 109 S HN 0.498 nan 8.310 nan 0.000 0.464 110 L N 3.248 124.378 121.223 -0.155 0.000 2.342 110 L HA 0.947 5.287 4.340 -0.000 0.000 0.271 110 L C 0.039 176.732 176.870 -0.295 0.000 1.008 110 L CA 0.042 54.777 54.840 -0.174 0.000 0.818 110 L CB 1.573 43.560 42.059 -0.120 0.000 1.296 110 L HN 0.716 nan 8.230 nan 0.000 0.427 111 G N 2.869 111.209 108.800 -0.766 0.000 2.706 111 G HA2 0.540 4.499 3.960 -0.000 0.000 0.297 111 G HA3 0.540 4.499 3.960 -0.000 0.000 0.297 111 G C -1.779 172.700 174.900 -0.701 0.000 1.403 111 G CA -0.563 43.922 45.100 -1.026 0.000 0.954 111 G HN 0.510 nan 8.290 nan 0.000 0.500 112 N N -0.491 118.120 118.700 -0.148 0.000 2.264 112 N HA 0.749 5.489 4.740 -0.000 0.000 0.288 112 N C -1.038 174.583 175.510 0.184 0.000 1.094 112 N CA -0.316 52.756 53.050 0.036 0.000 0.817 112 N CB 2.528 41.008 38.487 -0.012 0.000 1.604 112 N HN 0.969 nan 8.380 nan 0.000 0.473 113 A N 1.774 124.734 122.820 0.233 0.000 2.566 113 A HA 0.615 4.935 4.320 -0.000 0.000 0.297 113 A C -1.619 176.025 177.584 0.099 0.000 1.059 113 A CA -0.549 51.572 52.037 0.140 0.000 0.691 113 A CB 1.236 20.425 19.000 0.316 0.000 1.282 113 A HN 0.508 nan 8.150 nan 0.000 0.401 114 L N 1.427 122.577 121.223 -0.122 0.000 2.329 114 L HA 0.651 4.991 4.340 -0.000 0.000 0.279 114 L C -1.501 175.255 176.870 -0.190 0.000 1.014 114 L CA -0.441 54.397 54.840 -0.003 0.000 0.814 114 L CB 1.656 43.737 42.059 0.037 0.000 1.257 114 L HN 0.724 nan 8.230 nan 0.000 0.424 115 F N 0.797 120.867 119.950 0.199 0.000 2.427 115 F HA 0.399 4.926 4.527 -0.000 0.000 0.348 115 F C 0.431 176.398 175.800 0.278 0.000 1.125 115 F CA -0.655 57.469 58.000 0.207 0.000 0.989 115 F CB 2.163 41.304 39.000 0.235 0.000 1.165 115 F HN 0.297 nan 8.300 nan 0.000 0.442 116 T N -0.659 114.045 114.554 0.250 0.000 2.829 116 T HA 0.377 4.727 4.350 -0.000 0.000 0.280 116 T C -0.635 174.146 174.700 0.135 0.000 0.999 116 T CA -0.970 61.271 62.100 0.236 0.000 0.983 116 T CB 1.767 70.690 68.868 0.091 0.000 0.968 116 T HN 0.438 nan 8.240 nan 0.000 0.446 117 D N 1.120 121.680 120.400 0.267 0.000 2.423 117 D HA 0.074 4.714 4.640 -0.000 0.000 0.238 117 D C 1.270 177.581 176.300 0.019 0.000 1.142 117 D CA -0.566 53.533 54.000 0.165 0.000 0.884 117 D CB 0.514 41.494 40.800 0.299 0.000 1.199 117 D HN 0.336 nan 8.370 nan 0.000 0.438 118 L N 3.441 124.657 121.223 -0.012 0.000 2.064 118 L HA -0.178 4.162 4.340 -0.000 0.000 0.216 118 L C 2.266 179.131 176.870 -0.009 0.000 1.077 118 L CA 1.346 56.178 54.840 -0.013 0.000 0.766 118 L CB -0.809 41.246 42.059 -0.007 0.000 0.890 118 L HN 0.541 nan 8.230 nan 0.000 0.435 119 V N -0.931 118.974 119.914 -0.016 0.000 3.217 119 V HA 0.000 4.120 4.120 -0.000 0.000 0.264 119 V C 0.934 176.949 176.094 -0.131 0.000 1.135 119 V CA 0.304 62.589 62.300 -0.025 0.000 1.142 119 V CB 0.355 32.190 31.823 0.020 0.000 0.754 119 V HN 0.128 nan 8.190 nan 0.000 0.484 120 V N 2.194 121.997 119.914 -0.184 0.000 2.338 120 V HA 0.284 4.404 4.120 -0.000 0.000 0.255 120 V C -0.177 175.878 176.094 -0.064 0.000 1.082 120 V CA -0.839 61.326 62.300 -0.226 0.000 0.951 120 V CB 0.237 31.939 31.823 -0.201 0.000 1.102 120 V HN 0.418 nan 8.190 nan 0.000 0.489 121 D N 6.763 127.163 120.400 0.001 0.000 2.458 121 D HA 0.174 4.814 4.640 -0.000 0.000 0.243 121 D C -0.069 176.232 176.300 0.001 0.000 1.146 121 D CA 0.451 54.462 54.000 0.018 0.000 0.877 121 D CB 1.331 42.158 40.800 0.046 0.000 1.176 121 D HN 0.506 nan 8.370 nan 0.000 0.461 122 L N 2.696 123.921 121.223 0.005 0.000 2.275 122 L HA 0.156 4.496 4.340 -0.000 0.000 0.288 122 L C 0.724 177.613 176.870 0.031 0.000 1.046 122 L CA -0.873 53.976 54.840 0.014 0.000 0.805 122 L CB 0.970 43.049 42.059 0.034 0.000 1.193 122 L HN 0.041 nan 8.230 nan 0.000 0.426 123 Q N 2.202 122.024 119.800 0.036 0.000 2.286 123 Q HA 0.022 4.361 4.340 -0.000 0.000 0.267 123 Q C 0.102 176.157 176.000 0.093 0.000 1.028 123 Q CA -0.083 55.750 55.803 0.051 0.000 0.901 123 Q CB 1.340 30.103 28.738 0.041 0.000 1.183 123 Q HN 0.508 nan 8.270 nan 0.000 0.392 124 D N 1.242 121.673 120.400 0.051 0.000 2.263 124 D HA -0.130 4.509 4.640 -0.000 0.000 0.208 124 D C 1.766 178.085 176.300 0.032 0.000 0.971 124 D CA 1.568 55.589 54.000 0.034 0.000 0.867 124 D CB 0.176 40.982 40.800 0.011 0.000 0.929 124 D HN 0.689 nan 8.370 nan 0.000 0.492 125 T N -1.631 112.953 114.554 0.049 0.000 2.746 125 T HA -0.198 4.152 4.350 -0.000 0.000 0.267 125 T C 1.953 176.685 174.700 0.052 0.000 1.039 125 T CA 0.623 62.745 62.100 0.037 0.000 1.142 125 T CB -0.695 68.198 68.868 0.042 0.000 0.866 125 T HN 0.138 nan 8.240 nan 0.000 0.444 126 F N 2.249 122.171 119.950 -0.048 0.000 2.060 126 F HA 0.056 4.583 4.527 -0.000 0.000 0.295 126 F C 2.359 178.123 175.800 -0.060 0.000 1.120 126 F CA 0.887 58.853 58.000 -0.056 0.000 1.205 126 F CB -0.647 38.318 39.000 -0.059 0.000 0.986 126 F HN -0.022 nan 8.300 nan 0.000 0.470 127 V N -0.516 119.388 119.914 -0.015 0.000 2.324 127 V HA -0.333 3.787 4.120 -0.000 0.000 0.250 127 V C 2.654 178.628 176.094 -0.199 0.000 1.060 127 V CA 2.205 64.415 62.300 -0.149 0.000 1.042 127 V CB -1.192 30.610 31.823 -0.036 0.000 0.650 127 V HN 0.482 nan 8.190 nan 0.000 0.450 128 S N -0.928 114.699 115.700 -0.122 0.000 2.383 128 S HA -0.100 4.370 4.470 -0.000 0.000 0.227 128 S C 2.122 176.648 174.600 -0.122 0.000 1.026 128 S CA 1.331 59.469 58.200 -0.104 0.000 0.981 128 S CB -0.263 62.900 63.200 -0.061 0.000 0.818 128 S HN 0.631 nan 8.310 nan 0.000 0.472 129 A N 0.915 123.648 122.820 -0.145 0.000 1.898 129 A HA -0.031 4.289 4.320 -0.000 0.000 0.216 129 A C 2.097 179.599 177.584 -0.136 0.000 1.181 129 A CA 1.756 53.717 52.037 -0.127 0.000 0.620 129 A CB -0.693 18.234 19.000 -0.122 0.000 0.819 129 A HN 0.537 nan 8.150 nan 0.000 0.442 130 M N -0.457 118.962 119.600 -0.302 0.000 2.082 130 M HA -0.156 4.324 4.480 -0.000 0.000 0.258 130 M C 1.975 178.191 176.300 -0.141 0.000 1.069 130 M CA 1.906 57.017 55.300 -0.315 0.000 1.102 130 M CB -0.224 31.982 32.600 -0.657 0.000 1.336 130 M HN 0.251 nan 8.290 nan 0.000 0.404 131 K N -0.929 119.375 120.400 -0.161 0.000 2.076 131 K HA -0.012 4.308 4.320 -0.000 0.000 0.204 131 K C 2.016 178.578 176.600 -0.063 0.000 1.051 131 K CA 1.869 58.092 56.287 -0.107 0.000 0.949 131 K CB -0.573 31.852 32.500 -0.124 0.000 0.726 131 K HN 0.627 nan 8.250 nan 0.000 0.443 132 T N -1.308 113.204 114.554 -0.070 0.000 2.978 132 T HA 0.045 4.395 4.350 -0.000 0.000 0.262 132 T C 2.047 176.703 174.700 -0.073 0.000 1.063 132 T CA 0.582 62.646 62.100 -0.060 0.000 1.140 132 T CB -0.098 68.734 68.868 -0.060 0.000 0.886 132 T HN 0.121 nan 8.240 nan 0.000 0.470 133 L N -2.116 119.054 121.223 -0.088 0.000 2.408 133 L HA 0.366 4.706 4.340 -0.000 0.000 0.215 133 L C 1.410 178.105 176.870 -0.293 0.000 1.081 133 L CA 0.520 55.250 54.840 -0.183 0.000 0.840 133 L CB -0.085 41.851 42.059 -0.206 0.000 1.002 133 L HN 0.174 nan 8.230 nan 0.000 0.468 134 Y N -0.912 119.343 120.300 -0.074 0.000 2.588 134 Y HA 0.270 4.820 4.550 -0.000 0.000 0.247 134 Y C 0.410 176.272 175.900 -0.065 0.000 1.157 134 Y CA -0.668 57.394 58.100 -0.064 0.000 1.215 134 Y CB 0.774 39.181 38.460 -0.088 0.000 1.245 134 Y HN -0.150 nan 8.280 nan 0.000 0.534 135 L N -0.700 120.553 121.223 0.049 0.000 4.137 135 L HA -0.277 4.063 4.340 -0.000 0.000 0.421 135 L C 0.445 177.334 176.870 0.032 0.000 1.162 135 L CA 0.808 55.665 54.840 0.027 0.000 0.978 135 L CB -2.287 39.788 42.059 0.028 0.000 1.957 135 L HN 0.221 nan 8.230 nan 0.000 0.978 136 A N -1.153 121.671 122.820 0.007 0.000 2.312 136 A HA 0.670 4.990 4.320 -0.000 0.000 0.326 136 A C 0.310 177.811 177.584 -0.137 0.000 1.172 136 A CA -0.604 51.413 52.037 -0.033 0.000 0.821 136 A CB 0.826 19.789 19.000 -0.061 0.000 1.166 136 A HN 0.183 nan 8.150 nan 0.000 0.493 137 D N 0.713 120.997 120.400 -0.193 0.000 2.277 137 D HA 0.559 5.198 4.640 -0.000 0.000 0.250 137 D C -0.617 175.271 176.300 -0.688 0.000 1.032 137 D CA 0.369 54.063 54.000 -0.510 0.000 0.947 137 D CB 1.751 42.107 40.800 -0.740 0.000 1.159 137 D HN 0.420 nan 8.370 nan 0.000 0.460 138 T N 1.305 115.358 114.554 -0.836 0.000 2.847 138 T HA 0.430 4.779 4.350 -0.000 0.000 0.291 138 T C -0.691 173.552 174.700 -0.761 0.000 0.998 138 T CA -0.524 61.211 62.100 -0.610 0.000 0.967 138 T CB 0.253 68.967 68.868 -0.257 0.000 0.954 138 T HN 0.079 nan 8.240 nan 0.000 0.441 139 F N 3.523 123.203 119.950 -0.450 0.000 2.449 139 F HA 0.464 4.991 4.527 -0.000 0.000 0.342 139 F C -2.406 173.275 175.800 -0.198 0.000 1.127 139 F CA -2.808 54.971 58.000 -0.368 0.000 0.975 139 F CB 1.526 40.188 39.000 -0.564 0.000 1.146 139 F HN 0.263 nan 8.300 nan 0.000 0.444 140 P HA 0.232 nan 4.420 nan 0.000 0.271 140 P C -0.744 176.546 177.300 -0.016 0.000 1.216 140 P CA 0.096 63.205 63.100 0.014 0.000 0.771 140 P CB 0.817 32.524 31.700 0.012 0.000 0.864 141 T N 1.843 116.316 114.554 -0.136 0.000 2.952 141 T HA 0.258 4.608 4.350 -0.000 0.000 0.305 141 T C -0.459 174.016 174.700 -0.376 0.000 1.064 141 T CA -0.719 61.192 62.100 -0.315 0.000 1.008 141 T CB 1.006 69.486 68.868 -0.648 0.000 1.078 141 T HN 0.297 nan 8.240 nan 0.000 0.459 142 N N 2.195 120.743 118.700 -0.254 0.000 2.663 142 N HA 0.139 4.879 4.740 -0.000 0.000 0.250 142 N C 0.005 175.449 175.510 -0.111 0.000 1.129 142 N CA -0.339 52.632 53.050 -0.131 0.000 0.995 142 N CB 0.038 38.488 38.487 -0.061 0.000 1.324 142 N HN 0.393 nan 8.380 nan 0.000 0.512 143 F N 1.437 121.399 119.950 0.020 0.000 2.771 143 F HA 0.107 4.634 4.527 -0.000 0.000 0.299 143 F C 1.925 177.727 175.800 0.004 0.000 1.177 143 F CA 0.150 58.156 58.000 0.011 0.000 1.450 143 F CB 0.099 39.108 39.000 0.015 0.000 1.114 143 F HN 0.462 nan 8.300 nan 0.000 0.587 144 R N -0.401 120.191 120.500 0.153 0.000 2.275 144 R HA -0.010 4.330 4.340 -0.000 0.000 0.199 144 R C 0.100 176.442 176.300 0.069 0.000 0.989 144 R CA 0.442 56.600 56.100 0.096 0.000 1.016 144 R CB -0.487 29.851 30.300 0.063 0.000 0.918 144 R HN 0.162 nan 8.270 nan 0.000 0.473 145 D N 0.174 120.611 120.400 0.063 0.000 2.485 145 D HA 0.173 4.813 4.640 -0.000 0.000 0.256 145 D C 0.477 176.808 176.300 0.052 0.000 1.141 145 D CA -0.127 53.896 54.000 0.038 0.000 0.942 145 D CB 0.752 41.559 40.800 0.011 0.000 1.003 145 D HN -0.252 nan 8.370 nan 0.000 0.507 146 S N 1.570 117.309 115.700 0.066 0.000 2.380 146 S HA -0.275 4.194 4.470 -0.000 0.000 0.229 146 S C 1.975 176.599 174.600 0.039 0.000 1.050 146 S CA 1.759 60.001 58.200 0.069 0.000 1.100 146 S CB -0.145 63.082 63.200 0.044 0.000 0.984 146 S HN 0.679 nan 8.310 nan 0.000 0.434 147 A N 0.980 123.810 122.820 0.017 0.000 1.908 147 A HA 0.026 4.346 4.320 -0.000 0.000 0.218 147 A C 2.330 179.908 177.584 -0.009 0.000 1.181 147 A CA 1.976 54.014 52.037 0.001 0.000 0.627 147 A CB -1.485 17.514 19.000 -0.002 0.000 0.818 147 A HN 0.567 nan 8.150 nan 0.000 0.445 148 G N -0.540 108.255 108.800 -0.009 0.000 2.433 148 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.216 148 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.216 148 G C 1.798 176.670 174.900 -0.047 0.000 1.186 148 G CA 1.612 46.696 45.100 -0.027 0.000 0.779 148 G HN 0.832 nan 8.290 nan 0.000 0.543 149 A N 0.402 123.199 122.820 -0.039 0.000 1.908 149 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 149 A C 2.393 179.924 177.584 -0.088 0.000 1.181 149 A CA 2.076 54.066 52.037 -0.078 0.000 0.627 149 A CB -0.424 18.585 19.000 0.015 0.000 0.818 149 A HN 0.417 nan 8.150 nan 0.000 0.445 150 M N -0.744 118.837 119.600 -0.032 0.000 2.159 150 M HA -0.154 4.326 4.480 -0.000 0.000 0.263 150 M C 2.171 178.425 176.300 -0.076 0.000 1.063 150 M CA 2.246 57.516 55.300 -0.051 0.000 1.110 150 M CB -0.149 32.439 32.600 -0.020 0.000 1.374 150 M HN 0.466 nan 8.290 nan 0.000 0.411 151 K N -0.224 120.140 120.400 -0.060 0.000 2.097 151 K HA -0.241 4.079 4.320 -0.000 0.000 0.205 151 K C 2.034 178.593 176.600 -0.068 0.000 1.050 151 K CA 1.689 57.944 56.287 -0.055 0.000 0.938 151 K CB -0.206 32.270 32.500 -0.040 0.000 0.718 151 K HN 0.510 nan 8.250 nan 0.000 0.442 152 Q N 0.671 120.414 119.800 -0.096 0.000 2.050 152 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 152 Q C 2.041 177.960 176.000 -0.135 0.000 0.980 152 Q CA 1.741 57.480 55.803 -0.106 0.000 0.840 152 Q CB -0.054 28.607 28.738 -0.128 0.000 0.898 152 Q HN 0.408 nan 8.270 nan 0.000 0.424 153 I N 0.588 120.978 120.570 -0.300 0.000 2.202 153 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 153 I C 1.885 177.954 176.117 -0.080 0.000 1.091 153 I CA 1.399 62.438 61.300 -0.434 0.000 1.368 153 I CB -0.429 37.191 38.000 -0.632 0.000 1.058 153 I HN 0.332 nan 8.210 nan 0.000 0.410 154 N N 0.593 119.250 118.700 -0.071 0.000 2.142 154 N HA -0.186 4.553 4.740 -0.000 0.000 0.186 154 N C 1.333 176.835 175.510 -0.013 0.000 1.023 154 N CA 1.144 54.176 53.050 -0.030 0.000 0.852 154 N CB -0.028 38.434 38.487 -0.041 0.000 0.998 154 N HN 0.256 nan 8.380 nan 0.000 0.424 155 D N 0.209 120.606 120.400 -0.006 0.000 2.123 155 D HA -0.184 4.455 4.640 -0.000 0.000 0.196 155 D C 1.622 177.941 176.300 0.032 0.000 0.992 155 D CA 0.910 54.911 54.000 0.000 0.000 0.833 155 D CB -0.370 40.430 40.800 -0.000 0.000 0.954 155 D HN 0.305 nan 8.370 nan 0.000 0.455 156 Y N 1.234 121.512 120.300 -0.036 0.000 2.145 156 Y HA -0.218 4.332 4.550 -0.000 0.000 0.286 156 Y C 2.164 178.076 175.900 0.020 0.000 1.145 156 Y CA 1.231 59.340 58.100 0.016 0.000 1.148 156 Y CB -0.402 38.124 38.460 0.111 0.000 0.981 156 Y HN -0.176 nan 8.280 nan 0.000 0.507 157 V N 0.525 120.426 119.914 -0.022 0.000 2.515 157 V HA -0.292 3.828 4.120 -0.000 0.000 0.250 157 V C 2.653 178.564 176.094 -0.305 0.000 1.058 157 V CA 1.616 63.755 62.300 -0.269 0.000 1.064 157 V CB -1.528 30.210 31.823 -0.142 0.000 0.675 157 V HN 0.583 nan 8.190 nan 0.000 0.461 158 A N -0.159 122.559 122.820 -0.170 0.000 1.902 158 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 158 A C 2.315 179.816 177.584 -0.138 0.000 1.181 158 A CA 1.896 53.849 52.037 -0.139 0.000 0.623 158 A CB -0.350 18.597 19.000 -0.088 0.000 0.818 158 A HN 0.545 nan 8.150 nan 0.000 0.443 159 K N -0.839 119.472 120.400 -0.149 0.000 2.031 159 K HA -0.087 4.233 4.320 -0.000 0.000 0.205 159 K C 2.274 178.787 176.600 -0.146 0.000 1.049 159 K CA 1.163 57.377 56.287 -0.122 0.000 0.939 159 K CB -0.156 32.285 32.500 -0.098 0.000 0.717 159 K HN 0.361 nan 8.250 nan 0.000 0.438 160 Q N 0.078 119.711 119.800 -0.279 0.000 2.124 160 Q HA -0.113 4.227 4.340 -0.000 0.000 0.202 160 Q C 1.922 177.896 176.000 -0.044 0.000 0.977 160 Q CA 1.887 57.567 55.803 -0.205 0.000 0.850 160 Q CB -0.428 28.103 28.738 -0.345 0.000 0.901 160 Q HN 0.464 nan 8.270 nan 0.000 0.429 161 T N -2.296 112.199 114.554 -0.098 0.000 3.188 161 T HA 0.128 4.478 4.350 -0.000 0.000 0.250 161 T C 0.321 175.076 174.700 0.091 0.000 1.077 161 T CA -0.286 61.889 62.100 0.125 0.000 0.967 161 T CB 0.228 69.125 68.868 0.047 0.000 1.006 161 T HN 0.007 nan 8.240 nan 0.000 0.552 162 K N 0.594 121.007 120.400 0.021 0.000 3.069 162 K HA -0.195 4.125 4.320 -0.000 0.000 0.267 162 K C 1.166 177.738 176.600 -0.047 0.000 1.082 162 K CA 0.859 57.149 56.287 0.006 0.000 0.782 162 K CB -2.326 30.211 32.500 0.061 0.000 1.230 162 K HN 1.160 nan 8.250 nan 0.000 0.488 163 G N -0.456 108.294 108.800 -0.083 0.000 2.176 163 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.253 163 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.253 163 G C 0.917 175.724 174.900 -0.156 0.000 0.979 163 G CA 0.636 45.674 45.100 -0.104 0.000 0.641 163 G HN 0.274 nan 8.290 nan 0.000 0.530 164 K N -0.052 120.208 120.400 -0.233 0.000 2.031 164 K HA 0.172 4.492 4.320 -0.000 0.000 0.205 164 K C 1.109 177.541 176.600 -0.281 0.000 1.049 164 K CA 0.972 57.026 56.287 -0.388 0.000 0.939 164 K CB -0.088 31.878 32.500 -0.890 0.000 0.717 164 K HN 0.535 nan 8.250 nan 0.000 0.438 165 I N 1.869 122.310 120.570 -0.215 0.000 2.428 165 I HA 0.028 4.198 4.170 -0.000 0.000 0.279 165 I C 0.812 176.856 176.117 -0.122 0.000 1.040 165 I CA -0.344 60.874 61.300 -0.137 0.000 1.171 165 I CB 1.687 39.632 38.000 -0.092 0.000 1.312 165 I HN -0.197 nan 8.210 nan 0.000 0.470 166 V N 0.879 120.734 119.914 -0.098 0.000 3.590 166 V HA 0.180 4.299 4.120 -0.000 0.000 0.265 166 V C 0.466 176.524 176.094 -0.060 0.000 1.239 166 V CA 0.603 62.855 62.300 -0.080 0.000 1.117 166 V CB -0.203 31.576 31.823 -0.073 0.000 0.818 166 V HN 0.785 nan 8.190 nan 0.000 0.451 167 D N -0.483 119.886 120.400 -0.052 0.000 2.952 167 D HA 0.120 4.760 4.640 -0.000 0.000 0.373 167 D C 1.125 177.407 176.300 -0.029 0.000 1.360 167 D CA -0.477 53.499 54.000 -0.040 0.000 0.788 167 D CB 0.527 41.303 40.800 -0.038 0.000 1.192 167 D HN 0.201 nan 8.370 nan 0.000 0.462 168 L N 0.227 121.438 121.223 -0.022 0.000 2.034 168 L HA -0.064 4.275 4.340 -0.000 0.000 0.217 168 L C 0.140 177.011 176.870 0.003 0.000 1.077 168 L CA 1.949 56.791 54.840 0.004 0.000 0.769 168 L CB -0.258 41.822 42.059 0.034 0.000 0.890 168 L HN 0.303 nan 8.230 nan 0.000 0.435 169 L N -0.822 120.396 121.223 -0.007 0.000 2.325 169 L HA 0.283 4.623 4.340 -0.000 0.000 0.278 169 L C 0.791 177.649 176.870 -0.020 0.000 1.023 169 L CA -0.600 54.233 54.840 -0.011 0.000 0.811 169 L CB 1.397 43.448 42.059 -0.012 0.000 1.249 169 L HN -0.172 nan 8.230 nan 0.000 0.431 170 K N 0.900 121.287 120.400 -0.020 0.000 2.399 170 K HA 0.239 4.559 4.320 -0.000 0.000 0.196 170 K C -0.459 176.129 176.600 -0.019 0.000 1.103 170 K CA 0.269 56.542 56.287 -0.022 0.000 0.986 170 K CB 0.507 32.992 32.500 -0.025 0.000 0.952 170 K HN 0.524 nan 8.250 nan 0.000 0.541 171 N N -0.851 117.838 118.700 -0.018 0.000 2.525 171 N HA 0.579 5.319 4.740 -0.000 0.000 0.270 171 N C -2.210 173.291 175.510 -0.016 0.000 1.321 171 N CA -0.799 52.241 53.050 -0.016 0.000 0.797 171 N CB 2.340 40.816 38.487 -0.019 0.000 1.529 171 N HN -0.168 nan 8.380 nan 0.000 0.491 172 L N 0.968 122.184 121.223 -0.013 0.000 2.611 172 L HA 0.420 4.760 4.340 -0.000 0.000 0.260 172 L C -1.791 175.068 176.870 -0.018 0.000 0.924 172 L CA -0.526 54.305 54.840 -0.015 0.000 0.901 172 L CB 1.822 43.891 42.059 0.016 0.000 1.369 172 L HN 0.676 nan 8.230 nan 0.000 0.415 173 D N 1.852 122.223 120.400 -0.048 0.000 2.255 173 D HA 0.308 4.948 4.640 -0.000 0.000 0.249 173 D C 0.458 176.734 176.300 -0.040 0.000 1.078 173 D CA 0.262 54.235 54.000 -0.045 0.000 0.896 173 D CB 1.771 42.534 40.800 -0.061 0.000 1.194 173 D HN 0.499 nan 8.370 nan 0.000 0.429 174 S N 2.184 117.882 115.700 -0.004 0.000 2.474 174 S HA -0.104 4.366 4.470 -0.000 0.000 0.235 174 S C 1.121 175.729 174.600 0.013 0.000 0.997 174 S CA 0.496 58.714 58.200 0.030 0.000 0.949 174 S CB -0.316 62.904 63.200 0.034 0.000 0.766 174 S HN 0.549 nan 8.310 nan 0.000 0.517 175 N N 1.410 120.091 118.700 -0.032 0.000 2.398 175 N HA 0.266 5.006 4.740 -0.000 0.000 0.188 175 N C 0.268 175.710 175.510 -0.112 0.000 1.122 175 N CA 0.139 53.163 53.050 -0.043 0.000 0.866 175 N CB -0.030 38.434 38.487 -0.037 0.000 0.970 175 N HN 0.331 nan 8.380 nan 0.000 0.462 176 A N -0.120 122.557 122.820 -0.237 0.000 2.565 176 A HA 0.106 4.426 4.320 -0.000 0.000 0.237 176 A C 1.191 178.488 177.584 -0.479 0.000 1.053 176 A CA 0.088 51.824 52.037 -0.502 0.000 0.755 176 A CB 0.336 18.749 19.000 -0.978 0.000 0.980 176 A HN 0.071 nan 8.150 nan 0.000 0.506 177 V N 2.359 122.082 119.914 -0.318 0.000 2.806 177 V HA 0.172 4.292 4.120 -0.000 0.000 0.239 177 V C 0.580 176.699 176.094 0.042 0.000 1.113 177 V CA 1.204 63.458 62.300 -0.077 0.000 1.137 177 V CB 0.337 32.131 31.823 -0.048 0.000 0.865 177 V HN 0.843 nan 8.190 nan 0.000 0.482 178 V N 1.662 121.560 119.914 -0.027 0.000 2.668 178 V HA 0.555 4.674 4.120 -0.000 0.000 0.304 178 V C -1.844 174.310 176.094 0.099 0.000 1.071 178 V CA -0.538 61.852 62.300 0.150 0.000 0.894 178 V CB 2.061 33.952 31.823 0.113 0.000 1.008 178 V HN 0.176 nan 8.190 nan 0.000 0.425 179 I N 7.047 127.781 120.570 0.273 0.000 2.378 179 I HA 0.481 4.651 4.170 -0.000 0.000 0.291 179 I C -0.098 176.225 176.117 0.344 0.000 0.992 179 I CA -0.410 61.036 61.300 0.243 0.000 1.154 179 I CB 1.641 39.797 38.000 0.260 0.000 1.315 179 I HN 0.742 nan 8.210 nan 0.000 0.448 180 M N 7.897 127.655 119.600 0.263 0.000 2.268 180 M HA 0.571 5.050 4.480 -0.000 0.000 0.344 180 M C -1.071 175.401 176.300 0.287 0.000 1.106 180 M CA -0.672 54.791 55.300 0.272 0.000 1.010 180 M CB 1.594 34.316 32.600 0.203 0.000 1.649 180 M HN 0.417 nan 8.290 nan 0.000 0.443 181 V N 2.999 123.123 119.914 0.350 0.000 2.487 181 V HA 0.636 4.755 4.120 -0.000 0.000 0.298 181 V C -1.285 175.023 176.094 0.357 0.000 1.028 181 V CA -0.591 61.931 62.300 0.370 0.000 0.860 181 V CB 1.616 33.712 31.823 0.455 0.000 0.991 181 V HN 1.000 nan 8.190 nan 0.000 0.427 182 N N 3.743 122.642 118.700 0.331 0.000 2.296 182 N HA 0.622 5.362 4.740 -0.000 0.000 0.294 182 N C -1.639 174.063 175.510 0.320 0.000 1.033 182 N CA -0.492 52.704 53.050 0.244 0.000 0.839 182 N CB 2.607 41.243 38.487 0.249 0.000 1.395 182 N HN 0.930 nan 8.380 nan 0.000 0.479 183 Y N 2.255 122.697 120.300 0.237 0.000 2.576 183 Y HA 0.796 5.346 4.550 -0.000 0.000 0.346 183 Y C -1.087 174.947 175.900 0.224 0.000 1.018 183 Y CA -1.093 57.131 58.100 0.207 0.000 1.050 183 Y CB 1.449 40.041 38.460 0.220 0.000 1.280 183 Y HN 0.405 nan 8.280 nan 0.000 0.474 184 I N 3.330 124.163 120.570 0.439 0.000 2.771 184 I HA 0.631 4.801 4.170 -0.000 0.000 0.291 184 I C -2.152 174.332 176.117 0.611 0.000 1.527 184 I CA -0.876 60.647 61.300 0.371 0.000 1.024 184 I CB 1.997 40.148 38.000 0.252 0.000 1.388 184 I HN 0.853 nan 8.210 nan 0.000 0.447 185 F N 5.723 125.942 119.950 0.450 0.000 2.773 185 F HA 0.839 5.366 4.527 -0.000 0.000 0.314 185 F C -2.026 174.075 175.800 0.501 0.000 1.160 185 F CA -0.977 57.297 58.000 0.458 0.000 0.920 185 F CB 1.269 40.419 39.000 0.249 0.000 1.323 185 F HN 0.402 nan 8.300 nan 0.000 0.457 186 F N 0.058 120.216 119.950 0.346 0.000 2.662 186 F HA 0.747 5.274 4.527 -0.000 0.000 0.312 186 F C -1.752 174.115 175.800 0.111 0.000 1.113 186 F CA -1.774 56.315 58.000 0.148 0.000 0.951 186 F CB 2.036 41.090 39.000 0.091 0.000 1.344 186 F HN 0.791 nan 8.300 nan 0.000 0.462 187 K N 2.202 122.548 120.400 -0.090 0.000 2.502 187 K HA 0.868 5.188 4.320 -0.000 0.000 0.254 187 K C -1.767 174.720 176.600 -0.189 0.000 0.947 187 K CA -0.491 55.666 56.287 -0.216 0.000 0.834 187 K CB 1.374 33.855 32.500 -0.032 0.000 1.112 187 K HN 1.269 nan 8.250 nan 0.000 0.427 188 A N 3.796 126.418 122.820 -0.330 0.000 2.610 188 A HA 0.599 4.919 4.320 -0.000 0.000 0.291 188 A C -1.645 175.833 177.584 -0.175 0.000 1.086 188 A CA -0.931 50.987 52.037 -0.199 0.000 0.677 188 A CB 1.561 20.401 19.000 -0.266 0.000 1.278 188 A HN 0.666 nan 8.150 nan 0.000 0.414 189 K N -0.079 120.306 120.400 -0.025 0.000 2.395 189 K HA 0.464 4.784 4.320 -0.000 0.000 0.247 189 K C -1.390 175.270 176.600 0.100 0.000 0.973 189 K CA -0.449 55.823 56.287 -0.024 0.000 0.828 189 K CB 1.685 34.208 32.500 0.039 0.000 1.272 189 K HN 0.680 nan 8.250 nan 0.000 0.439 190 W N 1.489 122.917 121.300 0.214 0.000 2.150 190 W HA 0.042 4.702 4.660 -0.000 0.000 0.341 190 W C 1.683 178.239 176.519 0.061 0.000 1.276 190 W CA 0.056 57.452 57.345 0.086 0.000 1.238 190 W CB 0.324 29.765 29.460 -0.031 0.000 1.128 190 W HN 0.801 nan 8.180 nan 0.000 0.581 191 E N 0.434 120.811 120.200 0.295 0.000 2.031 191 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 191 E C 0.047 176.707 176.600 0.101 0.000 0.994 191 E CA 1.225 57.725 56.400 0.167 0.000 0.800 191 E CB 0.021 29.802 29.700 0.135 0.000 0.752 191 E HN 0.315 nan 8.360 nan 0.000 0.447 192 T N 1.308 115.893 114.554 0.051 0.000 2.821 192 T HA 0.288 4.638 4.350 -0.000 0.000 0.307 192 T C -0.579 174.048 174.700 -0.122 0.000 1.034 192 T CA -0.580 61.485 62.100 -0.058 0.000 0.953 192 T CB 1.601 70.376 68.868 -0.155 0.000 0.968 192 T HN 0.005 nan 8.240 nan 0.000 0.462 193 S N 2.315 117.999 115.700 -0.027 0.000 2.572 193 S HA 0.299 4.769 4.470 -0.000 0.000 0.267 193 S C -0.079 174.412 174.600 -0.181 0.000 1.361 193 S CA -0.196 58.008 58.200 0.008 0.000 1.009 193 S CB 0.078 63.335 63.200 0.095 0.000 0.888 193 S HN 0.473 nan 8.310 nan 0.000 0.553 194 F N 1.673 121.629 119.950 0.010 0.000 2.421 194 F HA 0.307 4.834 4.527 -0.000 0.000 0.337 194 F C 0.935 176.739 175.800 0.005 0.000 1.105 194 F CA -0.696 57.270 58.000 -0.057 0.000 1.049 194 F CB 0.777 39.704 39.000 -0.122 0.000 1.139 194 F HN 0.518 nan 8.300 nan 0.000 0.479 195 N N 2.344 121.157 118.700 0.188 0.000 2.458 195 N HA -0.007 4.733 4.740 -0.000 0.000 0.270 195 N C 1.296 176.920 175.510 0.190 0.000 1.102 195 N CA -0.109 53.029 53.050 0.147 0.000 0.967 195 N CB 0.494 39.032 38.487 0.085 0.000 1.078 195 N HN 0.856 nan 8.380 nan 0.000 0.471 196 H N 3.211 122.322 119.070 0.069 0.000 2.387 196 H HA -0.174 4.382 4.556 -0.000 0.000 0.299 196 H C 1.963 177.314 175.328 0.039 0.000 1.099 196 H CA 1.867 57.946 56.048 0.052 0.000 1.315 196 H CB 0.364 30.153 29.762 0.045 0.000 1.380 196 H HN 0.653 nan 8.280 nan 0.000 0.513 197 K N 0.669 121.112 120.400 0.072 0.000 2.442 197 K HA -0.027 4.293 4.320 -0.000 0.000 0.199 197 K C 1.858 178.480 176.600 0.036 0.000 1.044 197 K CA 1.191 57.467 56.287 -0.017 0.000 0.941 197 K CB -0.780 31.711 32.500 -0.015 0.000 0.759 197 K HN 0.572 nan 8.250 nan 0.000 0.472 198 G N -0.156 108.693 108.800 0.081 0.000 3.393 198 G HA2 0.235 4.195 3.960 -0.000 0.000 0.255 198 G HA3 0.235 4.195 3.960 -0.000 0.000 0.255 198 G C 0.077 175.030 174.900 0.088 0.000 1.097 198 G CA 0.247 45.391 45.100 0.073 0.000 0.780 198 G HN 0.366 nan 8.290 nan 0.000 0.540 199 T N 2.297 116.925 114.554 0.124 0.000 2.738 199 T HA 0.501 4.851 4.350 -0.000 0.000 0.298 199 T C -0.516 174.255 174.700 0.118 0.000 0.962 199 T CA -0.283 61.888 62.100 0.118 0.000 0.972 199 T CB 1.390 70.349 68.868 0.151 0.000 0.928 199 T HN 0.130 nan 8.240 nan 0.000 0.474 200 Q N 1.866 121.730 119.800 0.107 0.000 2.423 200 Q HA 0.494 4.834 4.340 -0.000 0.000 0.278 200 Q C -0.580 175.471 176.000 0.085 0.000 1.097 200 Q CA -1.092 54.766 55.803 0.092 0.000 0.809 200 Q CB 1.749 30.540 28.738 0.089 0.000 1.391 200 Q HN 0.448 nan 8.270 nan 0.000 0.428 201 E N 1.274 121.515 120.200 0.069 0.000 2.383 201 E HA 0.186 4.536 4.350 -0.000 0.000 0.264 201 E C -0.602 176.039 176.600 0.068 0.000 1.050 201 E CA 0.466 56.906 56.400 0.066 0.000 0.896 201 E CB 0.687 30.418 29.700 0.052 0.000 0.982 201 E HN 0.299 nan 8.360 nan 0.000 0.424 202 Q N 1.195 121.046 119.800 0.084 0.000 2.693 202 Q HA 0.343 4.683 4.340 -0.000 0.000 0.306 202 Q C -1.268 174.800 176.000 0.114 0.000 0.969 202 Q CA -0.974 54.881 55.803 0.087 0.000 0.757 202 Q CB 1.367 30.158 28.738 0.088 0.000 1.494 202 Q HN 0.355 nan 8.270 nan 0.000 0.459 203 D N 1.050 121.525 120.400 0.125 0.000 2.313 203 D HA 0.325 4.965 4.640 -0.000 0.000 0.239 203 D C -1.530 174.915 176.300 0.243 0.000 1.142 203 D CA 0.115 54.187 54.000 0.121 0.000 0.847 203 D CB 0.412 41.276 40.800 0.105 0.000 1.082 203 D HN 0.168 nan 8.370 nan 0.000 0.480 204 F N 3.451 123.441 119.950 0.067 0.000 2.411 204 F HA 0.311 4.838 4.527 -0.000 0.000 0.352 204 F C -0.964 174.905 175.800 0.114 0.000 1.123 204 F CA -0.939 57.161 58.000 0.167 0.000 1.044 204 F CB 0.535 39.612 39.000 0.128 0.000 1.135 204 F HN 0.246 nan 8.300 nan 0.000 0.461 205 Y N 6.515 126.649 120.300 -0.277 0.000 2.627 205 Y HA 0.204 4.754 4.550 -0.000 0.000 0.347 205 Y C 1.154 177.029 175.900 -0.042 0.000 1.099 205 Y CA -0.538 57.495 58.100 -0.112 0.000 1.408 205 Y CB 0.114 38.488 38.460 -0.143 0.000 1.247 205 Y HN 0.460 nan 8.280 nan 0.000 0.506 206 V N 1.241 121.327 119.914 0.286 0.000 2.332 206 V HA -0.210 3.910 4.120 -0.000 0.000 0.248 206 V C 1.145 177.351 176.094 0.187 0.000 1.055 206 V CA 2.283 64.772 62.300 0.314 0.000 1.038 206 V CB -0.618 31.343 31.823 0.232 0.000 0.651 206 V HN 0.827 nan 8.190 nan 0.000 0.450 207 T N -4.206 110.434 114.554 0.143 0.000 2.812 207 T HA 0.314 4.664 4.350 -0.000 0.000 0.294 207 T C 0.543 175.325 174.700 0.137 0.000 1.159 207 T CA 0.151 62.320 62.100 0.116 0.000 1.008 207 T CB 1.573 70.491 68.868 0.084 0.000 1.289 207 T HN 0.162 nan 8.240 nan 0.000 0.514 208 S N -0.787 114.982 115.700 0.116 0.000 2.660 208 S HA 0.080 4.550 4.470 -0.000 0.000 0.228 208 S C 0.767 175.433 174.600 0.109 0.000 0.966 208 S CA 0.223 58.506 58.200 0.138 0.000 0.940 208 S CB -0.415 62.834 63.200 0.082 0.000 0.773 208 S HN 0.642 nan 8.310 nan 0.000 0.535 209 E N 0.806 121.051 120.200 0.074 0.000 2.441 209 E HA 0.136 4.486 4.350 -0.000 0.000 0.207 209 E C -0.264 176.340 176.600 0.007 0.000 0.803 209 E CA 0.599 57.021 56.400 0.037 0.000 1.240 209 E CB 0.489 30.209 29.700 0.033 0.000 1.233 209 E HN 0.389 nan 8.360 nan 0.000 0.590 210 T N 2.287 116.851 114.554 0.015 0.000 2.733 210 T HA 0.415 4.765 4.350 -0.000 0.000 0.294 210 T C -0.072 174.600 174.700 -0.046 0.000 0.956 210 T CA -0.376 61.721 62.100 -0.004 0.000 0.987 210 T CB 1.611 70.497 68.868 0.031 0.000 0.920 210 T HN -0.047 nan 8.240 nan 0.000 0.470 211 V N 3.569 123.410 119.914 -0.122 0.000 2.656 211 V HA 0.942 5.062 4.120 -0.000 0.000 0.307 211 V C -0.440 175.596 176.094 -0.096 0.000 1.051 211 V CA -0.770 61.391 62.300 -0.232 0.000 0.893 211 V CB 1.644 33.124 31.823 -0.572 0.000 0.999 211 V HN 0.795 nan 8.190 nan 0.000 0.426 212 V N 3.211 123.118 119.914 -0.011 0.000 3.158 212 V HA 0.795 4.915 4.120 -0.000 0.000 0.311 212 V C -0.719 175.406 176.094 0.053 0.000 1.181 212 V CA -1.176 61.137 62.300 0.022 0.000 1.054 212 V CB 2.343 34.191 31.823 0.040 0.000 1.085 212 V HN 1.003 nan 8.190 nan 0.000 0.446 213 R N 1.347 121.871 120.500 0.039 0.000 2.346 213 R HA 0.790 5.130 4.340 -0.000 0.000 0.311 213 R C -0.619 175.716 176.300 0.059 0.000 0.983 213 R CA -0.268 55.865 56.100 0.054 0.000 0.880 213 R CB 1.395 31.713 30.300 0.031 0.000 1.100 213 R HN 1.187 nan 8.270 nan 0.000 0.453 214 V N -0.284 119.684 119.914 0.090 0.000 3.007 214 V HA 0.674 4.794 4.120 -0.000 0.000 0.311 214 V C -2.600 173.544 176.094 0.084 0.000 1.120 214 V CA -2.635 59.710 62.300 0.075 0.000 0.980 214 V CB 2.761 34.630 31.823 0.077 0.000 1.033 214 V HN 0.560 nan 8.190 nan 0.000 0.429 215 P HA 0.323 nan 4.420 nan 0.000 0.284 215 P C -0.678 176.654 177.300 0.054 0.000 1.343 215 P CA -0.052 63.083 63.100 0.057 0.000 0.826 215 P CB 0.749 32.471 31.700 0.036 0.000 0.956 216 M N 4.257 123.900 119.600 0.071 0.000 2.188 216 M HA 0.362 4.842 4.480 -0.000 0.000 0.357 216 M C 0.545 176.842 176.300 -0.006 0.000 1.204 216 M CA -0.279 55.056 55.300 0.058 0.000 1.095 216 M CB 1.146 33.836 32.600 0.149 0.000 1.604 216 M HN 0.293 nan 8.290 nan 0.000 0.464 217 M N 1.817 121.313 119.600 -0.173 0.000 2.444 217 M HA 0.477 4.957 4.480 -0.000 0.000 0.319 217 M C -0.013 176.074 176.300 -0.355 0.000 1.183 217 M CA -0.367 54.743 55.300 -0.317 0.000 1.032 217 M CB 1.918 34.069 32.600 -0.749 0.000 1.569 217 M HN 0.743 nan 8.290 nan 0.000 0.468 218 S N 1.359 116.907 115.700 -0.253 0.000 2.550 218 S HA 0.845 5.315 4.470 -0.000 0.000 0.270 218 S C -1.115 173.464 174.600 -0.036 0.000 1.145 218 S CA -1.082 56.887 58.200 -0.384 0.000 0.852 218 S CB 2.665 65.409 63.200 -0.759 0.000 1.119 218 S HN 0.858 nan 8.310 nan 0.000 0.465 219 R N 0.635 121.106 120.500 -0.049 0.000 2.647 219 R HA 0.298 4.638 4.340 -0.000 0.000 0.260 219 R C -1.849 174.476 176.300 0.042 0.000 1.154 219 R CA -0.183 55.938 56.100 0.036 0.000 1.029 219 R CB 1.486 31.814 30.300 0.045 0.000 1.262 219 R HN 0.892 nan 8.270 nan 0.000 0.437 220 E N 3.346 123.539 120.200 -0.011 0.000 2.249 220 E HA 0.251 4.601 4.350 -0.000 0.000 0.280 220 E C -1.150 175.407 176.600 -0.071 0.000 1.016 220 E CA -0.251 56.152 56.400 0.006 0.000 0.830 220 E CB 1.107 30.795 29.700 -0.020 0.000 1.081 220 E HN 0.571 nan 8.360 nan 0.000 0.395 221 D N 2.320 122.642 120.400 -0.131 0.000 2.893 221 D HA 0.011 4.651 4.640 -0.000 0.000 0.346 221 D C -1.624 174.386 176.300 -0.484 0.000 1.402 221 D CA -0.490 53.276 54.000 -0.389 0.000 0.815 221 D CB 0.936 41.344 40.800 -0.653 0.000 1.403 221 D HN 0.460 nan 8.370 nan 0.000 0.484 222 Q N 0.340 119.793 119.800 -0.579 0.000 2.271 222 Q HA 0.576 4.916 4.340 -0.000 0.000 0.258 222 Q C -1.395 174.219 176.000 -0.642 0.000 0.936 222 Q CA -0.398 55.147 55.803 -0.431 0.000 0.909 222 Q CB 1.068 29.629 28.738 -0.295 0.000 1.253 222 Q HN 0.337 nan 8.270 nan 0.000 0.440 223 Y N 0.317 120.506 120.300 -0.186 0.000 2.553 223 Y HA 0.301 4.851 4.550 -0.000 0.000 0.347 223 Y C -0.386 175.352 175.900 -0.270 0.000 1.019 223 Y CA -1.059 56.920 58.100 -0.203 0.000 1.032 223 Y CB 1.425 39.825 38.460 -0.100 0.000 1.284 223 Y HN 0.578 nan 8.280 nan 0.000 0.466 224 H N 1.869 120.901 119.070 -0.064 0.000 2.929 224 H HA 0.070 4.626 4.556 -0.000 0.000 0.317 224 H C -1.177 173.893 175.328 -0.429 0.000 1.031 224 H CA 0.635 56.467 56.048 -0.361 0.000 1.466 224 H CB 0.508 29.849 29.762 -0.701 0.000 1.482 224 H HN 0.721 nan 8.280 nan 0.000 0.561 225 Y N 4.123 124.255 120.300 -0.280 0.000 2.581 225 Y HA 0.469 5.019 4.550 -0.000 0.000 0.345 225 Y C -1.716 174.228 175.900 0.074 0.000 1.036 225 Y CA -0.985 57.043 58.100 -0.120 0.000 1.042 225 Y CB 1.509 39.949 38.460 -0.033 0.000 1.289 225 Y HN 0.501 nan 8.280 nan 0.000 0.471 226 L N 6.429 127.161 121.223 -0.818 0.000 2.612 226 L HA 0.508 4.848 4.340 -0.000 0.000 0.256 226 L C -2.496 173.873 176.870 -0.834 0.000 0.949 226 L CA -0.654 53.900 54.840 -0.477 0.000 0.867 226 L CB 2.070 44.119 42.059 -0.016 0.000 1.417 226 L HN 0.888 nan 8.230 nan 0.000 0.414 227 L N 4.031 125.006 121.223 -0.413 0.000 2.343 227 L HA 0.445 4.785 4.340 -0.000 0.000 0.278 227 L C -1.058 175.716 176.870 -0.160 0.000 0.996 227 L CA -0.352 54.330 54.840 -0.265 0.000 0.831 227 L CB 1.528 43.571 42.059 -0.027 0.000 1.232 227 L HN 0.675 nan 8.230 nan 0.000 0.413 228 D N 4.828 125.120 120.400 -0.181 0.000 2.456 228 D HA 0.187 4.827 4.640 -0.000 0.000 0.219 228 D C 1.002 177.299 176.300 -0.006 0.000 1.126 228 D CA -0.230 53.735 54.000 -0.058 0.000 0.890 228 D CB 0.930 41.726 40.800 -0.006 0.000 1.025 228 D HN 0.516 nan 8.370 nan 0.000 0.511 229 R N 2.602 123.107 120.500 0.010 0.000 2.280 229 R HA -0.097 4.243 4.340 -0.000 0.000 0.207 229 R C 1.427 177.744 176.300 0.029 0.000 1.043 229 R CA 0.470 56.580 56.100 0.016 0.000 1.006 229 R CB 0.118 30.429 30.300 0.018 0.000 0.885 229 R HN 0.351 nan 8.270 nan 0.000 0.467 230 N N 0.665 119.392 118.700 0.046 0.000 2.132 230 N HA -0.104 4.636 4.740 -0.000 0.000 0.187 230 N C 1.283 176.827 175.510 0.057 0.000 1.038 230 N CA 1.172 54.251 53.050 0.049 0.000 0.846 230 N CB 0.023 38.543 38.487 0.055 0.000 1.012 230 N HN -0.021 nan 8.380 nan 0.000 0.429 231 L N 0.135 121.412 121.223 0.090 0.000 2.418 231 L HA 0.234 4.574 4.340 -0.000 0.000 0.218 231 L C 0.616 177.531 176.870 0.075 0.000 1.125 231 L CA 0.597 55.498 54.840 0.101 0.000 0.835 231 L CB -0.677 41.494 42.059 0.187 0.000 0.953 231 L HN 0.263 nan 8.230 nan 0.000 0.454 232 S N -0.730 115.000 115.700 0.049 0.000 3.829 232 S HA -0.148 4.322 4.470 -0.000 0.000 0.461 232 S C -0.153 174.450 174.600 0.006 0.000 0.849 232 S CA 0.149 58.361 58.200 0.020 0.000 1.323 232 S CB -1.684 61.530 63.200 0.023 0.000 0.872 232 S HN 0.595 nan 8.310 nan 0.000 0.613 233 C N 1.750 121.030 119.300 -0.033 0.000 3.311 233 C HA 0.856 5.316 4.460 -0.000 0.000 0.325 233 C C -0.491 174.392 174.990 -0.180 0.000 1.352 233 C CA -1.221 57.752 59.018 -0.074 0.000 1.308 233 C CB 1.651 29.369 27.740 -0.037 0.000 1.619 233 C HN 0.770 nan 8.230 nan 0.000 0.469 234 R N 0.874 121.262 120.500 -0.186 0.000 2.514 234 R HA 0.811 5.151 4.340 -0.000 0.000 0.301 234 R C -1.334 174.809 176.300 -0.261 0.000 0.962 234 R CA -0.484 55.461 56.100 -0.258 0.000 0.882 234 R CB 2.149 32.376 30.300 -0.121 0.000 1.143 234 R HN 0.687 nan 8.270 nan 0.000 0.452 235 V N 3.257 122.931 119.914 -0.400 0.000 2.604 235 V HA 0.477 4.597 4.120 -0.000 0.000 0.305 235 V C -0.715 175.354 176.094 -0.041 0.000 1.043 235 V CA -0.820 61.348 62.300 -0.220 0.000 0.888 235 V CB 1.981 33.501 31.823 -0.505 0.000 0.995 235 V HN 0.493 nan 8.190 nan 0.000 0.429 236 V N 3.502 123.496 119.914 0.135 0.000 2.709 236 V HA 0.927 5.047 4.120 -0.000 0.000 0.308 236 V C 0.211 176.366 176.094 0.101 0.000 1.062 236 V CA 0.089 62.439 62.300 0.084 0.000 0.901 236 V CB 2.002 33.910 31.823 0.141 0.000 1.003 236 V HN 1.020 nan 8.190 nan 0.000 0.425 237 G N 4.468 113.250 108.800 -0.031 0.000 2.356 237 G HA2 0.589 4.549 3.960 -0.000 0.000 0.322 237 G HA3 0.589 4.549 3.960 -0.000 0.000 0.322 237 G C -1.178 173.826 174.900 0.174 0.000 1.125 237 G CA -0.449 44.712 45.100 0.102 0.000 0.885 237 G HN 0.945 nan 8.290 nan 0.000 0.467 238 V N 4.909 124.949 119.914 0.210 0.000 2.340 238 V HA 0.295 4.415 4.120 -0.000 0.000 0.277 238 V C -2.002 174.237 176.094 0.243 0.000 1.017 238 V CA -1.507 60.904 62.300 0.186 0.000 0.820 238 V CB 1.689 33.532 31.823 0.032 0.000 1.028 238 V HN 0.712 nan 8.190 nan 0.000 0.436 239 P HA 0.040 nan 4.420 nan 0.000 0.264 239 P C -0.856 176.609 177.300 0.275 0.000 1.193 239 P CA 0.225 63.471 63.100 0.244 0.000 0.763 239 P CB 0.686 32.509 31.700 0.204 0.000 0.810 240 Y N 0.886 121.380 120.300 0.323 0.000 2.295 240 Y HA 0.122 4.672 4.550 -0.000 0.000 0.331 240 Y C 1.855 177.852 175.900 0.162 0.000 1.311 240 Y CA -0.034 58.202 58.100 0.226 0.000 1.430 240 Y CB 0.544 39.086 38.460 0.135 0.000 1.339 240 Y HN 0.378 nan 8.280 nan 0.000 0.552 241 Q N 1.256 121.258 119.800 0.337 0.000 3.151 241 Q HA 0.291 4.630 4.340 -0.000 0.000 0.277 241 Q C -0.033 176.065 176.000 0.164 0.000 1.343 241 Q CA 0.420 56.344 55.803 0.201 0.000 0.925 241 Q CB -0.792 28.036 28.738 0.149 0.000 1.771 241 Q HN 0.943 nan 8.270 nan 0.000 0.514 242 G N 0.469 109.375 108.800 0.176 0.000 2.649 242 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.078 242 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.078 242 G C -0.124 174.856 174.900 0.133 0.000 1.110 242 G CA -0.353 44.826 45.100 0.132 0.000 1.269 242 G HN 0.455 nan 8.290 nan 0.000 0.581 243 N N 0.533 119.308 118.700 0.124 0.000 2.273 243 N HA 0.413 5.152 4.740 -0.000 0.000 0.192 243 N C 0.685 176.281 175.510 0.144 0.000 1.132 243 N CA 0.276 53.394 53.050 0.113 0.000 0.887 243 N CB 1.545 40.077 38.487 0.075 0.000 1.048 243 N HN 0.576 nan 8.380 nan 0.000 0.490 244 A N 1.071 124.000 122.820 0.181 0.000 2.322 244 A HA 0.477 4.797 4.320 -0.000 0.000 0.269 244 A C 0.073 177.883 177.584 0.377 0.000 1.094 244 A CA 0.148 52.325 52.037 0.233 0.000 0.807 244 A CB 0.957 20.060 19.000 0.171 0.000 1.047 244 A HN 0.013 nan 8.150 nan 0.000 0.487 245 T N 0.228 114.997 114.554 0.359 0.000 2.921 245 T HA 0.593 4.943 4.350 -0.000 0.000 0.297 245 T C -0.349 174.562 174.700 0.353 0.000 1.013 245 T CA 0.149 62.459 62.100 0.351 0.000 0.990 245 T CB 0.866 69.893 68.868 0.265 0.000 1.023 245 T HN 1.475 nan 8.240 nan 0.000 0.447 246 A N 5.078 128.083 122.820 0.310 0.000 2.363 246 A HA 0.726 5.046 4.320 -0.000 0.000 0.270 246 A C -0.391 177.205 177.584 0.019 0.000 1.121 246 A CA -0.465 51.688 52.037 0.194 0.000 0.800 246 A CB 0.108 19.260 19.000 0.254 0.000 1.052 246 A HN 0.856 nan 8.150 nan 0.000 0.493 247 L N 2.356 123.543 121.223 -0.061 0.000 2.325 247 L HA 0.493 4.833 4.340 -0.000 0.000 0.281 247 L C -1.330 175.432 176.870 -0.179 0.000 1.004 247 L CA -0.133 54.708 54.840 0.001 0.000 0.823 247 L CB 1.371 43.492 42.059 0.103 0.000 1.236 247 L HN 0.689 nan 8.230 nan 0.000 0.415 248 F N 3.957 124.019 119.950 0.186 0.000 2.426 248 F HA 0.493 5.020 4.527 -0.000 0.000 0.348 248 F C -0.095 175.897 175.800 0.321 0.000 1.124 248 F CA -0.640 57.463 58.000 0.172 0.000 1.008 248 F CB 1.667 40.434 39.000 -0.388 0.000 1.139 248 F HN 0.197 nan 8.300 nan 0.000 0.452 249 I N 4.724 125.654 120.570 0.599 0.000 2.354 249 I HA 0.340 4.510 4.170 -0.000 0.000 0.292 249 I C -0.953 175.474 176.117 0.518 0.000 0.989 249 I CA -0.567 60.972 61.300 0.398 0.000 1.188 249 I CB 1.586 39.734 38.000 0.247 0.000 1.342 249 I HN 0.356 nan 8.210 nan 0.000 0.457 250 L N 9.757 131.120 121.223 0.232 0.000 2.316 250 L HA 0.693 5.033 4.340 -0.000 0.000 0.280 250 L C -2.555 174.317 176.870 0.004 0.000 1.006 250 L CA -1.838 53.027 54.840 0.042 0.000 0.836 250 L CB 1.121 42.897 42.059 -0.471 0.000 1.221 250 L HN 0.298 nan 8.230 nan 0.000 0.418 251 P HA 0.297 nan 4.420 nan 0.000 0.274 251 P C -0.744 176.552 177.300 -0.006 0.000 1.231 251 P CA -0.382 62.747 63.100 0.049 0.000 0.790 251 P CB 0.783 32.543 31.700 0.100 0.000 0.951 252 S N 0.217 115.909 115.700 -0.013 0.000 2.617 252 S HA 0.133 4.603 4.470 -0.000 0.000 0.259 252 S C 0.272 174.857 174.600 -0.025 0.000 1.301 252 S CA -0.542 57.637 58.200 -0.034 0.000 0.984 252 S CB -0.100 63.085 63.200 -0.025 0.000 0.954 252 S HN 0.428 nan 8.310 nan 0.000 0.572 253 E N 0.506 120.680 120.200 -0.043 0.000 2.652 253 E HA 0.298 4.648 4.350 -0.000 0.000 0.255 253 E C 1.380 177.975 176.600 -0.008 0.000 0.952 253 E CA 1.360 57.738 56.400 -0.038 0.000 0.947 253 E CB -0.713 28.955 29.700 -0.053 0.000 0.912 253 E HN 1.260 nan 8.360 nan 0.000 0.489 254 G N 4.832 113.636 108.800 0.007 0.000 2.203 254 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.263 254 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.263 254 G C 0.526 175.447 174.900 0.035 0.000 1.012 254 G CA 0.619 45.733 45.100 0.024 0.000 0.749 254 G HN 0.479 nan 8.290 nan 0.000 0.512 255 K N -0.961 119.463 120.400 0.041 0.000 2.414 255 K HA 0.344 4.663 4.320 -0.000 0.000 0.204 255 K C 1.946 178.595 176.600 0.081 0.000 1.026 255 K CA 0.208 56.527 56.287 0.053 0.000 1.108 255 K CB 0.164 32.689 32.500 0.042 0.000 0.855 255 K HN 0.430 nan 8.250 nan 0.000 0.517 256 M N 1.253 120.911 119.600 0.095 0.000 2.065 256 M HA -0.171 4.308 4.480 -0.000 0.000 0.259 256 M C 1.961 178.345 176.300 0.140 0.000 1.069 256 M CA 1.914 57.293 55.300 0.133 0.000 1.110 256 M CB -0.202 32.484 32.600 0.143 0.000 1.328 256 M HN -0.004 nan 8.290 nan 0.000 0.405 257 Q N 0.111 119.980 119.800 0.116 0.000 2.135 257 Q HA -0.269 4.071 4.340 -0.000 0.000 0.204 257 Q C 2.156 178.219 176.000 0.106 0.000 0.981 257 Q CA 2.290 58.160 55.803 0.112 0.000 0.856 257 Q CB -0.543 28.245 28.738 0.084 0.000 0.902 257 Q HN 0.838 nan 8.270 nan 0.000 0.425 258 Q N -0.435 119.419 119.800 0.090 0.000 2.084 258 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 258 Q C 2.026 178.082 176.000 0.093 0.000 0.978 258 Q CA 1.598 57.448 55.803 0.078 0.000 0.844 258 Q CB 0.171 28.948 28.738 0.064 0.000 0.898 258 Q HN 0.208 nan 8.270 nan 0.000 0.426 259 V N 1.219 121.204 119.914 0.118 0.000 2.358 259 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 259 V C 2.010 178.191 176.094 0.145 0.000 1.047 259 V CA 2.137 64.524 62.300 0.145 0.000 1.035 259 V CB -0.595 31.337 31.823 0.182 0.000 0.658 259 V HN 0.416 nan 8.190 nan 0.000 0.452 260 E N 0.543 120.851 120.200 0.180 0.000 2.070 260 E HA -0.262 4.088 4.350 -0.000 0.000 0.197 260 E C 1.988 178.692 176.600 0.173 0.000 1.004 260 E CA 1.798 58.339 56.400 0.235 0.000 0.805 260 E CB -0.359 29.533 29.700 0.321 0.000 0.744 260 E HN 0.719 nan 8.360 nan 0.000 0.451 261 N N -0.148 118.627 118.700 0.125 0.000 2.289 261 N HA -0.097 4.643 4.740 -0.000 0.000 0.184 261 N C 1.783 177.315 175.510 0.037 0.000 1.016 261 N CA 0.637 53.737 53.050 0.084 0.000 0.872 261 N CB -0.022 38.504 38.487 0.066 0.000 0.973 261 N HN 0.117 nan 8.380 nan 0.000 0.433 262 G N 0.502 109.313 108.800 0.018 0.000 2.939 262 G HA2 0.145 4.105 3.960 -0.000 0.000 0.210 262 G HA3 0.145 4.105 3.960 -0.000 0.000 0.210 262 G C 0.470 175.269 174.900 -0.167 0.000 1.160 262 G CA -0.300 44.773 45.100 -0.045 0.000 0.770 262 G HN 0.054 nan 8.290 nan 0.000 0.543 263 L N 2.054 123.156 121.223 -0.201 0.000 2.485 263 L HA 0.408 4.748 4.340 -0.000 0.000 0.275 263 L C 0.555 176.933 176.870 -0.821 0.000 1.207 263 L CA 0.057 54.567 54.840 -0.550 0.000 0.855 263 L CB 0.891 42.693 42.059 -0.428 0.000 1.114 263 L HN 0.286 nan 8.230 nan 0.000 0.485 264 S N 0.050 114.992 115.700 -1.263 0.000 2.611 264 S HA 0.199 4.668 4.470 -0.000 0.000 0.270 264 S C 0.127 174.365 174.600 -0.604 0.000 1.131 264 S CA -0.970 56.740 58.200 -0.815 0.000 0.826 264 S CB 1.194 64.216 63.200 -0.298 0.000 1.095 264 S HN 0.642 nan 8.310 nan 0.000 0.461 265 E N 0.910 121.137 120.200 0.045 0.000 2.077 265 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 265 E C 2.459 179.012 176.600 -0.079 0.000 0.989 265 E CA 1.523 58.005 56.400 0.137 0.000 0.800 265 E CB -0.528 29.285 29.700 0.188 0.000 0.746 265 E HN 0.795 nan 8.360 nan 0.000 0.452 266 K N 1.198 121.530 120.400 -0.112 0.000 2.009 266 K HA -0.170 4.150 4.320 -0.000 0.000 0.210 266 K C 2.225 178.672 176.600 -0.255 0.000 1.049 266 K CA 2.067 58.270 56.287 -0.140 0.000 0.929 266 K CB -1.694 30.740 32.500 -0.111 0.000 0.714 266 K HN 0.063 nan 8.250 nan 0.000 0.440 267 T N 1.003 115.328 114.554 -0.382 0.000 2.737 267 T HA -0.143 4.207 4.350 -0.000 0.000 0.269 267 T C 1.910 176.070 174.700 -0.900 0.000 1.040 267 T CA 1.500 63.231 62.100 -0.615 0.000 1.142 267 T CB -0.307 68.118 68.868 -0.739 0.000 0.861 267 T HN 0.332 nan 8.240 nan 0.000 0.456 268 L N 1.505 122.301 121.223 -0.711 0.000 2.093 268 L HA 0.048 4.388 4.340 -0.000 0.000 0.208 268 L C 2.827 179.515 176.870 -0.304 0.000 1.085 268 L CA 2.062 56.570 54.840 -0.554 0.000 0.755 268 L CB -0.862 41.099 42.059 -0.163 0.000 0.904 268 L HN 0.193 nan 8.230 nan 0.000 0.435 269 R N 0.261 120.629 120.500 -0.220 0.000 2.092 269 R HA -0.162 4.178 4.340 -0.000 0.000 0.231 269 R C 2.368 178.584 176.300 -0.139 0.000 1.119 269 R CA 1.809 57.830 56.100 -0.131 0.000 0.970 269 R CB -1.250 28.995 30.300 -0.092 0.000 0.864 269 R HN 0.580 nan 8.270 nan 0.000 0.440 270 K N -1.089 119.197 120.400 -0.190 0.000 2.063 270 K HA -0.169 4.151 4.320 -0.000 0.000 0.208 270 K C 2.002 178.584 176.600 -0.031 0.000 1.048 270 K CA 1.701 57.918 56.287 -0.116 0.000 0.928 270 K CB -0.218 32.197 32.500 -0.142 0.000 0.713 270 K HN 0.608 nan 8.250 nan 0.000 0.442 271 W N 0.753 121.863 121.300 -0.316 0.000 2.388 271 W HA -0.093 4.567 4.660 -0.000 0.000 0.294 271 W C 1.808 177.839 176.519 -0.814 0.000 1.212 271 W CA 0.299 57.309 57.345 -0.558 0.000 1.271 271 W CB -0.892 28.181 29.460 -0.645 0.000 1.126 271 W HN 0.120 nan 8.180 nan 0.000 0.535 272 L N 0.929 121.957 121.223 -0.325 0.000 2.362 272 L HA -0.107 4.233 4.340 -0.000 0.000 0.219 272 L C 2.523 179.339 176.870 -0.091 0.000 1.134 272 L CA 2.162 56.846 54.840 -0.260 0.000 0.807 272 L CB -1.578 40.421 42.059 -0.100 0.000 0.927 272 L HN 0.013 nan 8.230 nan 0.000 0.447 273 K N -1.204 119.155 120.400 -0.068 0.000 2.019 273 K HA 0.059 4.379 4.320 -0.000 0.000 0.209 273 K C 2.184 178.817 176.600 0.054 0.000 1.032 273 K CA 1.909 58.198 56.287 0.003 0.000 0.947 273 K CB -1.387 31.112 32.500 -0.002 0.000 0.757 273 K HN 0.212 nan 8.250 nan 0.000 0.444 274 M N 0.694 120.323 119.600 0.049 0.000 2.521 274 M HA 0.241 4.721 4.480 -0.000 0.000 0.260 274 M C 1.218 177.647 176.300 0.214 0.000 1.068 274 M CA 0.778 56.139 55.300 0.100 0.000 1.060 274 M CB -1.464 31.184 32.600 0.080 0.000 1.398 274 M HN 0.414 nan 8.290 nan 0.000 0.473 275 F N 2.035 122.027 119.950 0.069 0.000 2.593 275 F HA 0.340 4.867 4.527 -0.000 0.000 0.393 275 F C 0.920 176.825 175.800 0.174 0.000 1.037 275 F CA 0.227 58.285 58.000 0.097 0.000 1.195 275 F CB 0.024 39.061 39.000 0.062 0.000 1.034 275 F HN 0.514 nan 8.300 nan 0.000 0.552 276 K N 5.521 126.134 120.400 0.354 0.000 2.427 276 K HA 0.392 4.712 4.320 -0.000 0.000 0.252 276 K C -0.478 176.212 176.600 0.150 0.000 0.931 276 K CA -1.094 55.337 56.287 0.240 0.000 0.793 276 K CB 1.568 34.179 32.500 0.186 0.000 1.211 276 K HN 0.409 nan 8.250 nan 0.000 0.426 277 K N 1.289 121.713 120.400 0.041 0.000 2.440 277 K HA 0.266 4.585 4.320 -0.000 0.000 0.270 277 K C -0.053 176.523 176.600 -0.040 0.000 0.980 277 K CA 0.084 56.305 56.287 -0.109 0.000 0.953 277 K CB 0.749 33.148 32.500 -0.167 0.000 0.925 277 K HN 0.786 nan 8.250 nan 0.000 0.497 278 R N 1.481 121.938 120.500 -0.070 0.000 2.644 278 R HA 0.019 4.359 4.340 -0.000 0.000 0.257 278 R C -1.457 174.791 176.300 -0.087 0.000 1.082 278 R CA -0.649 55.403 56.100 -0.079 0.000 0.927 278 R CB 1.099 31.326 30.300 -0.121 0.000 1.258 278 R HN 0.469 nan 8.270 nan 0.000 0.459 279 Q N 2.738 122.480 119.800 -0.097 0.000 2.313 279 Q HA 0.420 4.759 4.340 -0.000 0.000 0.266 279 Q C -1.507 174.464 176.000 -0.049 0.000 0.989 279 Q CA 0.288 56.042 55.803 -0.082 0.000 0.890 279 Q CB 0.866 29.557 28.738 -0.079 0.000 1.200 279 Q HN 0.440 nan 8.270 nan 0.000 0.396 280 L N 3.006 124.250 121.223 0.035 0.000 2.472 280 L HA 0.383 4.723 4.340 -0.000 0.000 0.260 280 L C -1.165 175.776 176.870 0.118 0.000 0.963 280 L CA -0.156 54.730 54.840 0.076 0.000 0.829 280 L CB 2.560 44.709 42.059 0.151 0.000 1.348 280 L HN 0.720 nan 8.230 nan 0.000 0.408 281 E N 3.006 123.247 120.200 0.069 0.000 2.046 281 E HA 0.400 4.749 4.350 -0.000 0.000 0.279 281 E C -1.198 175.430 176.600 0.047 0.000 0.989 281 E CA -0.672 55.766 56.400 0.063 0.000 0.798 281 E CB 1.615 31.398 29.700 0.139 0.000 1.086 281 E HN 0.251 nan 8.360 nan 0.000 0.399 282 L N 4.417 125.598 121.223 -0.069 0.000 2.282 282 L HA 0.343 4.683 4.340 -0.000 0.000 0.288 282 L C -1.631 175.057 176.870 -0.302 0.000 1.033 282 L CA -0.474 54.291 54.840 -0.126 0.000 0.807 282 L CB 0.379 42.253 42.059 -0.308 0.000 1.209 282 L HN 0.371 nan 8.230 nan 0.000 0.423 283 Y N 5.783 126.059 120.300 -0.040 0.000 2.328 283 Y HA 0.644 5.194 4.550 -0.000 0.000 0.333 283 Y C -0.740 175.087 175.900 -0.122 0.000 0.958 283 Y CA -0.542 57.513 58.100 -0.075 0.000 1.167 283 Y CB 1.864 40.306 38.460 -0.030 0.000 1.151 283 Y HN 0.511 nan 8.280 nan 0.000 0.470 284 L N 7.174 128.256 121.223 -0.236 0.000 2.438 284 L HA 0.689 5.029 4.340 -0.000 0.000 0.270 284 L C -2.857 173.850 176.870 -0.271 0.000 0.972 284 L CA -2.483 52.106 54.840 -0.419 0.000 0.831 284 L CB 2.049 43.588 42.059 -0.865 0.000 1.273 284 L HN 0.269 nan 8.230 nan 0.000 0.405 285 P HA 0.080 nan 4.420 nan 0.000 0.269 285 P C -1.476 175.903 177.300 0.133 0.000 1.209 285 P CA -0.166 63.005 63.100 0.120 0.000 0.776 285 P CB 0.390 32.254 31.700 0.272 0.000 0.876 286 K N 4.366 124.809 120.400 0.071 0.000 2.262 286 K HA 0.421 4.741 4.320 -0.000 0.000 0.282 286 K C -1.024 175.653 176.600 0.128 0.000 1.066 286 K CA -0.370 55.917 56.287 0.000 0.000 0.901 286 K CB -0.113 32.359 32.500 -0.048 0.000 1.089 286 K HN 0.460 nan 8.250 nan 0.000 0.476 287 F N -0.424 119.535 119.950 0.014 0.000 2.686 287 F HA 0.528 5.055 4.527 -0.000 0.000 0.311 287 F C -1.304 174.487 175.800 -0.014 0.000 1.128 287 F CA -0.969 57.029 58.000 -0.004 0.000 0.946 287 F CB 1.341 40.344 39.000 0.004 0.000 1.336 287 F HN 0.150 nan 8.300 nan 0.000 0.457 288 S N 2.164 117.945 115.700 0.135 0.000 2.532 288 S HA 0.836 5.306 4.470 -0.000 0.000 0.301 288 S C -1.273 173.403 174.600 0.126 0.000 1.083 288 S CA -0.736 57.465 58.200 0.002 0.000 1.025 288 S CB 1.640 64.811 63.200 -0.047 0.000 1.056 288 S HN 0.834 nan 8.310 nan 0.000 0.494 289 I N 2.164 122.715 120.570 -0.032 0.000 2.787 289 I HA 0.468 4.638 4.170 -0.000 0.000 0.294 289 I C -1.920 174.062 176.117 -0.226 0.000 1.365 289 I CA -0.434 60.809 61.300 -0.093 0.000 1.029 289 I CB 1.859 39.813 38.000 -0.076 0.000 1.313 289 I HN 0.889 nan 8.210 nan 0.000 0.431 290 E N 5.209 125.403 120.200 -0.011 0.000 2.413 290 E HA 0.755 5.104 4.350 -0.000 0.000 0.277 290 E C -1.447 175.314 176.600 0.269 0.000 0.958 290 E CA -1.093 55.411 56.400 0.173 0.000 0.779 290 E CB 2.361 32.116 29.700 0.093 0.000 1.278 290 E HN 0.700 nan 8.360 nan 0.000 0.456 291 G N 0.267 109.295 108.800 0.379 0.000 2.571 291 G HA2 0.565 4.525 3.960 -0.000 0.000 0.304 291 G HA3 0.565 4.525 3.960 -0.000 0.000 0.304 291 G C -1.248 173.608 174.900 -0.074 0.000 1.314 291 G CA -0.750 44.469 45.100 0.198 0.000 0.975 291 G HN 0.322 nan 8.290 nan 0.000 0.485 292 S N -0.054 115.303 115.700 -0.572 0.000 2.614 292 S HA 0.676 5.146 4.470 -0.000 0.000 0.288 292 S C -1.595 172.548 174.600 -0.763 0.000 1.137 292 S CA -0.360 57.599 58.200 -0.402 0.000 0.992 292 S CB 0.974 64.055 63.200 -0.198 0.000 1.026 292 S HN 0.491 nan 8.310 nan 0.000 0.486 293 Y N 0.728 121.082 120.300 0.090 0.000 2.524 293 Y HA 0.443 4.992 4.550 -0.000 0.000 0.347 293 Y C 0.014 175.932 175.900 0.030 0.000 1.005 293 Y CA -1.080 57.048 58.100 0.046 0.000 1.025 293 Y CB 1.229 39.705 38.460 0.027 0.000 1.275 293 Y HN 0.362 nan 8.280 nan 0.000 0.460 294 Q N 3.272 123.139 119.800 0.111 0.000 2.571 294 Q HA 0.269 4.609 4.340 -0.000 0.000 0.222 294 Q C 0.770 176.747 176.000 -0.038 0.000 1.167 294 Q CA -0.006 55.809 55.803 0.019 0.000 0.966 294 Q CB 0.815 29.537 28.738 -0.026 0.000 1.274 294 Q HN 0.888 nan 8.270 nan 0.000 0.552 295 L N 1.115 122.317 121.223 -0.034 0.000 2.349 295 L HA -0.237 4.103 4.340 -0.000 0.000 0.220 295 L C 2.296 178.934 176.870 -0.388 0.000 1.130 295 L CA 1.078 55.835 54.840 -0.138 0.000 0.791 295 L CB -0.247 41.779 42.059 -0.055 0.000 0.918 295 L HN 0.498 nan 8.230 nan 0.000 0.444 296 E N 0.969 120.842 120.200 -0.545 0.000 2.208 296 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 296 E C 1.607 177.895 176.600 -0.521 0.000 0.988 296 E CA 1.023 56.819 56.400 -1.007 0.000 0.828 296 E CB -0.168 29.082 29.700 -0.750 0.000 0.763 296 E HN 0.477 nan 8.360 nan 0.000 0.478 297 K N 0.459 120.689 120.400 -0.283 0.000 2.296 297 K HA 0.033 4.353 4.320 -0.000 0.000 0.200 297 K C 1.990 178.506 176.600 -0.141 0.000 1.048 297 K CA 0.881 57.070 56.287 -0.163 0.000 0.966 297 K CB 0.423 32.863 32.500 -0.100 0.000 0.754 297 K HN 0.059 nan 8.250 nan 0.000 0.466 298 V N 0.143 119.955 119.914 -0.171 0.000 3.151 298 V HA 0.043 4.163 4.120 -0.000 0.000 0.241 298 V C 1.516 177.544 176.094 -0.110 0.000 1.173 298 V CA 0.321 62.538 62.300 -0.138 0.000 1.154 298 V CB 0.111 31.833 31.823 -0.168 0.000 0.898 298 V HN 0.164 nan 8.190 nan 0.000 0.473 299 L N 0.844 122.000 121.223 -0.113 0.000 2.127 299 L HA -0.097 4.243 4.340 -0.000 0.000 0.211 299 L C -0.230 176.701 176.870 0.101 0.000 1.089 299 L CA 1.931 56.790 54.840 0.031 0.000 0.757 299 L CB -1.797 40.359 42.059 0.161 0.000 0.899 299 L HN 0.364 nan 8.230 nan 0.000 0.434 300 P HA -0.177 nan 4.420 nan 0.000 0.216 300 P C 1.837 179.174 177.300 0.061 0.000 1.150 300 P CA 1.805 64.975 63.100 0.118 0.000 0.837 300 P CB -0.059 31.702 31.700 0.102 0.000 0.786 301 S N -0.785 114.927 115.700 0.021 0.000 2.440 301 S HA -0.110 4.360 4.470 -0.000 0.000 0.238 301 S C 1.523 176.134 174.600 0.019 0.000 1.010 301 S CA 1.057 59.261 58.200 0.008 0.000 0.972 301 S CB -1.462 61.726 63.200 -0.020 0.000 0.774 301 S HN 0.129 nan 8.310 nan 0.000 0.501 302 L N 0.818 122.062 121.223 0.035 0.000 2.653 302 L HA 0.398 4.738 4.340 -0.000 0.000 0.231 302 L C 1.804 178.722 176.870 0.080 0.000 1.153 302 L CA 0.252 55.127 54.840 0.057 0.000 0.933 302 L CB -0.551 41.552 42.059 0.074 0.000 1.175 302 L HN 0.583 nan 8.230 nan 0.000 0.473 303 G N 0.859 109.700 108.800 0.069 0.000 2.217 303 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.246 303 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.246 303 G C 0.294 175.235 174.900 0.068 0.000 0.990 303 G CA -0.309 44.827 45.100 0.060 0.000 0.627 303 G HN 0.291 nan 8.290 nan 0.000 0.522 304 I N 2.957 123.592 120.570 0.108 0.000 2.276 304 I HA 0.357 4.527 4.170 -0.000 0.000 0.290 304 I C 1.375 177.608 176.117 0.193 0.000 1.109 304 I CA 0.382 61.750 61.300 0.112 0.000 1.229 304 I CB 0.935 39.027 38.000 0.155 0.000 1.452 304 I HN 0.259 nan 8.210 nan 0.000 0.497 305 S N 2.064 117.827 115.700 0.105 0.000 2.830 305 S HA 0.040 4.510 4.470 -0.000 0.000 0.249 305 S C 1.477 176.112 174.600 0.058 0.000 1.084 305 S CA -0.256 58.043 58.200 0.165 0.000 0.852 305 S CB -0.045 63.231 63.200 0.126 0.000 0.802 305 S HN 0.470 nan 8.310 nan 0.000 0.481 306 N N 2.457 121.149 118.700 -0.014 0.000 2.132 306 N HA -0.085 4.655 4.740 -0.000 0.000 0.191 306 N C 1.680 177.116 175.510 -0.122 0.000 1.015 306 N CA 1.399 54.431 53.050 -0.029 0.000 0.864 306 N CB -1.008 37.460 38.487 -0.032 0.000 1.006 306 N HN 0.332 nan 8.380 nan 0.000 0.430 307 V N 0.235 119.961 119.914 -0.313 0.000 2.867 307 V HA -0.141 3.979 4.120 -0.000 0.000 0.260 307 V C 0.649 176.423 176.094 -0.535 0.000 1.099 307 V CA 1.277 63.288 62.300 -0.482 0.000 1.122 307 V CB -0.528 30.888 31.823 -0.679 0.000 0.708 307 V HN 0.117 nan 8.190 nan 0.000 0.490 308 F N 0.228 120.177 119.950 -0.002 0.000 2.664 308 F HA 0.292 4.819 4.527 -0.000 0.000 0.303 308 F C 1.158 176.954 175.800 -0.008 0.000 1.092 308 F CA 0.293 58.289 58.000 -0.006 0.000 1.305 308 F CB -0.498 38.501 39.000 -0.003 0.000 1.054 308 F HN 0.244 nan 8.300 nan 0.000 0.565 309 T N -4.533 110.077 114.554 0.094 0.000 2.927 309 T HA 0.311 4.661 4.350 -0.000 0.000 0.286 309 T C 1.234 175.924 174.700 -0.017 0.000 1.040 309 T CA -0.452 61.685 62.100 0.061 0.000 1.010 309 T CB 1.556 70.489 68.868 0.108 0.000 1.177 309 T HN -0.174 nan 8.240 nan 0.000 0.546 310 S N -0.074 115.564 115.700 -0.104 0.000 2.447 310 S HA -0.072 4.398 4.470 -0.000 0.000 0.233 310 S C 1.299 175.747 174.600 -0.254 0.000 1.006 310 S CA 0.566 58.643 58.200 -0.204 0.000 0.957 310 S CB -0.582 62.438 63.200 -0.300 0.000 0.773 310 S HN 0.700 nan 8.310 nan 0.000 0.507 311 H N 0.987 120.052 119.070 -0.009 0.000 2.566 311 H HA 0.406 4.962 4.556 -0.000 0.000 0.280 311 H C 0.747 176.055 175.328 -0.033 0.000 1.042 311 H CA 0.054 56.092 56.048 -0.017 0.000 1.168 311 H CB -0.600 29.154 29.762 -0.013 0.000 1.340 311 H HN 0.288 nan 8.280 nan 0.000 0.597 312 A N 1.264 124.092 122.820 0.014 0.000 2.425 312 A HA 0.095 4.415 4.320 -0.000 0.000 0.249 312 A C 0.131 177.693 177.584 -0.037 0.000 1.084 312 A CA -0.306 51.711 52.037 -0.033 0.000 0.781 312 A CB 0.334 19.288 19.000 -0.077 0.000 1.019 312 A HN 0.193 nan 8.150 nan 0.000 0.490 313 D N 2.407 122.776 120.400 -0.053 0.000 2.472 313 D HA 0.410 5.049 4.640 -0.000 0.000 0.234 313 D C -0.553 175.696 176.300 -0.085 0.000 1.088 313 D CA -0.070 53.898 54.000 -0.053 0.000 0.882 313 D CB 0.288 41.064 40.800 -0.040 0.000 1.037 313 D HN 0.354 nan 8.370 nan 0.000 0.520 314 L N 3.075 124.238 121.223 -0.099 0.000 3.168 314 L HA 0.103 4.443 4.340 -0.000 0.000 0.277 314 L C 1.777 178.554 176.870 -0.155 0.000 1.308 314 L CA -0.205 54.545 54.840 -0.151 0.000 0.976 314 L CB 0.379 42.331 42.059 -0.177 0.000 1.383 314 L HN 0.292 nan 8.230 nan 0.000 0.572 315 S N -1.383 114.254 115.700 -0.105 0.000 2.465 315 S HA -0.129 4.341 4.470 -0.000 0.000 0.241 315 S C 1.894 176.429 174.600 -0.109 0.000 1.000 315 S CA 1.075 59.224 58.200 -0.086 0.000 0.964 315 S CB -0.298 62.870 63.200 -0.054 0.000 0.763 315 S HN 0.530 nan 8.310 nan 0.000 0.512 316 G N 1.089 109.801 108.800 -0.146 0.000 2.511 316 G HA2 0.062 4.022 3.960 -0.000 0.000 0.217 316 G HA3 0.062 4.022 3.960 -0.000 0.000 0.217 316 G C 1.245 175.978 174.900 -0.279 0.000 1.133 316 G CA 0.698 45.713 45.100 -0.142 0.000 0.792 316 G HN 0.598 nan 8.290 nan 0.000 0.539 317 I N -1.094 119.177 120.570 -0.498 0.000 2.927 317 I HA 0.387 4.557 4.170 -0.000 0.000 0.268 317 I C 0.431 176.370 176.117 -0.296 0.000 1.153 317 I CA 0.446 61.301 61.300 -0.741 0.000 1.459 317 I CB 0.784 38.127 38.000 -1.096 0.000 1.149 317 I HN 0.018 nan 8.210 nan 0.000 0.443 318 S N 0.695 116.278 115.700 -0.194 0.000 2.543 318 S HA 0.323 4.793 4.470 -0.000 0.000 0.274 318 S C -0.928 173.651 174.600 -0.035 0.000 1.149 318 S CA -0.573 57.580 58.200 -0.077 0.000 0.866 318 S CB 0.544 63.713 63.200 -0.051 0.000 1.111 318 S HN 0.448 nan 8.310 nan 0.000 0.457 319 N N 3.084 121.784 118.700 0.001 0.000 2.558 319 N HA 0.075 4.815 4.740 -0.000 0.000 0.281 319 N C -0.383 175.141 175.510 0.024 0.000 1.219 319 N CA -0.412 52.637 53.050 -0.001 0.000 0.942 319 N CB -0.179 38.300 38.487 -0.014 0.000 1.241 319 N HN 0.646 nan 8.380 nan 0.000 0.511 320 H N 0.616 119.659 119.070 -0.044 0.000 2.473 320 H HA 0.251 4.807 4.556 -0.000 0.000 0.327 320 H C 0.433 175.740 175.328 -0.035 0.000 1.105 320 H CA -0.179 55.850 56.048 -0.032 0.000 1.280 320 H CB 1.866 31.611 29.762 -0.027 0.000 1.450 320 H HN 0.020 nan 8.280 nan 0.000 0.492 321 S N 3.344 118.906 115.700 -0.229 0.000 2.392 321 S HA -0.207 4.263 4.470 -0.000 0.000 0.225 321 S C 1.040 175.685 174.600 0.076 0.000 1.041 321 S CA 1.529 59.681 58.200 -0.082 0.000 1.100 321 S CB -0.081 63.011 63.200 -0.181 0.000 1.029 321 S HN 0.723 nan 8.310 nan 0.000 0.424 322 N N 1.413 120.238 118.700 0.208 0.000 2.466 322 N HA 0.252 4.992 4.740 -0.000 0.000 0.251 322 N C -0.297 175.265 175.510 0.086 0.000 1.164 322 N CA 0.033 53.158 53.050 0.125 0.000 0.888 322 N CB -0.144 38.409 38.487 0.109 0.000 1.177 322 N HN 0.445 nan 8.380 nan 0.000 0.498 323 I N 1.408 122.028 120.570 0.084 0.000 2.519 323 I HA 0.056 4.225 4.170 -0.000 0.000 0.287 323 I C -0.281 175.819 176.117 -0.028 0.000 1.047 323 I CA -0.126 61.173 61.300 -0.002 0.000 1.381 323 I CB 0.521 38.508 38.000 -0.022 0.000 1.417 323 I HN 0.250 nan 8.210 nan 0.000 0.540 324 Q N 4.814 124.591 119.800 -0.037 0.000 2.736 324 Q HA 0.255 4.595 4.340 -0.000 0.000 0.273 324 Q C -2.083 173.911 176.000 -0.010 0.000 0.948 324 Q CA -1.001 54.779 55.803 -0.038 0.000 0.854 324 Q CB 1.238 29.962 28.738 -0.023 0.000 1.569 324 Q HN 0.343 nan 8.270 nan 0.000 0.405 325 V N 2.993 122.912 119.914 0.009 0.000 2.439 325 V HA 0.059 4.179 4.120 -0.000 0.000 0.271 325 V C 0.790 176.983 176.094 0.164 0.000 1.040 325 V CA 0.652 63.014 62.300 0.103 0.000 1.002 325 V CB 0.836 32.760 31.823 0.168 0.000 1.000 325 V HN 0.929 nan 8.190 nan 0.000 0.477 326 S N 3.749 119.486 115.700 0.060 0.000 2.377 326 S HA 0.044 4.513 4.470 -0.000 0.000 0.223 326 S C 0.534 175.146 174.600 0.020 0.000 1.030 326 S CA 0.771 58.974 58.200 0.004 0.000 0.970 326 S CB 0.083 63.207 63.200 -0.126 0.000 0.830 326 S HN 0.854 nan 8.310 nan 0.000 0.473 327 E N -0.273 119.948 120.200 0.036 0.000 2.321 327 E HA 0.395 4.745 4.350 -0.000 0.000 0.278 327 E C -1.337 175.318 176.600 0.093 0.000 0.902 327 E CA -0.134 56.281 56.400 0.024 0.000 0.758 327 E CB 2.177 31.873 29.700 -0.007 0.000 1.213 327 E HN 0.098 nan 8.360 nan 0.000 0.426 328 M N 3.931 123.572 119.600 0.068 0.000 2.006 328 M HA 0.315 4.795 4.480 -0.000 0.000 0.314 328 M C -1.758 174.615 176.300 0.121 0.000 0.926 328 M CA -0.663 54.719 55.300 0.136 0.000 0.906 328 M CB 0.770 33.482 32.600 0.188 0.000 1.422 328 M HN 0.222 nan 8.290 nan 0.000 0.397 329 V N 3.979 123.989 119.914 0.161 0.000 2.498 329 V HA 0.303 4.423 4.120 -0.000 0.000 0.279 329 V C -0.588 175.672 176.094 0.277 0.000 1.048 329 V CA -0.378 62.031 62.300 0.182 0.000 0.967 329 V CB 0.992 32.904 31.823 0.149 0.000 0.988 329 V HN 0.770 nan 8.190 nan 0.000 0.473 330 H N 4.127 123.310 119.070 0.189 0.000 2.609 330 H HA 0.634 5.189 4.556 -0.000 0.000 0.344 330 H C -0.714 174.784 175.328 0.282 0.000 1.040 330 H CA -0.710 55.485 56.048 0.245 0.000 1.216 330 H CB 1.427 31.340 29.762 0.250 0.000 1.529 330 H HN 0.634 nan 8.280 nan 0.000 0.519 331 K N 3.998 124.248 120.400 -0.250 0.000 2.471 331 K HA 0.769 5.089 4.320 -0.000 0.000 0.252 331 K C -1.839 174.695 176.600 -0.110 0.000 0.938 331 K CA -0.827 55.383 56.287 -0.129 0.000 0.796 331 K CB 1.368 33.904 32.500 0.059 0.000 1.161 331 K HN 0.657 nan 8.250 nan 0.000 0.425 332 A N 3.018 125.882 122.820 0.075 0.000 2.371 332 A HA 0.704 5.024 4.320 -0.000 0.000 0.311 332 A C -1.108 176.804 177.584 0.548 0.000 1.068 332 A CA -0.673 51.594 52.037 0.384 0.000 0.744 332 A CB 1.427 20.693 19.000 0.443 0.000 1.239 332 A HN 0.619 nan 8.150 nan 0.000 0.435 333 V N 0.452 120.683 119.914 0.529 0.000 2.876 333 V HA 0.944 5.064 4.120 -0.000 0.000 0.312 333 V C -1.004 175.204 176.094 0.190 0.000 1.085 333 V CA -0.622 61.868 62.300 0.316 0.000 0.945 333 V CB 1.089 32.997 31.823 0.141 0.000 1.017 333 V HN 1.775 nan 8.190 nan 0.000 0.428 334 V N 3.322 123.173 119.914 -0.104 0.000 3.120 334 V HA 0.796 4.916 4.120 -0.000 0.000 0.303 334 V C -1.712 174.216 176.094 -0.278 0.000 1.238 334 V CA -0.156 62.022 62.300 -0.204 0.000 1.008 334 V CB 2.309 34.033 31.823 -0.166 0.000 1.064 334 V HN 1.341 nan 8.190 nan 0.000 0.434 335 E N 4.340 124.353 120.200 -0.313 0.000 2.266 335 E HA 0.668 5.018 4.350 -0.000 0.000 0.268 335 E C -1.723 174.707 176.600 -0.283 0.000 0.879 335 E CA -0.800 55.432 56.400 -0.280 0.000 0.762 335 E CB 2.162 31.718 29.700 -0.240 0.000 1.199 335 E HN 0.433 nan 8.360 nan 0.000 0.422 336 V N 3.691 123.393 119.914 -0.354 0.000 2.447 336 V HA 0.380 4.500 4.120 -0.000 0.000 0.292 336 V C -0.612 175.415 176.094 -0.112 0.000 1.021 336 V CA -0.377 61.792 62.300 -0.218 0.000 0.850 336 V CB 1.072 32.572 31.823 -0.539 0.000 1.005 336 V HN 0.889 nan 8.190 nan 0.000 0.426 337 D N 2.766 123.254 120.400 0.147 0.000 3.103 337 D HA 0.202 4.842 4.640 -0.000 0.000 0.337 337 D C 0.523 177.058 176.300 0.392 0.000 1.356 337 D CA -0.529 53.549 54.000 0.129 0.000 0.951 337 D CB 1.214 42.017 40.800 0.005 0.000 1.438 337 D HN 0.122 nan 8.370 nan 0.000 0.562 338 E N 0.083 120.430 120.200 0.244 0.000 2.085 338 E HA 0.020 4.370 4.350 -0.000 0.000 0.194 338 E C 0.267 177.104 176.600 0.395 0.000 0.994 338 E CA 1.774 58.387 56.400 0.354 0.000 0.801 338 E CB -0.076 29.732 29.700 0.180 0.000 0.743 338 E HN 0.522 nan 8.360 nan 0.000 0.453 339 S N -1.727 114.095 115.700 0.204 0.000 2.542 339 S HA 0.610 5.080 4.470 -0.000 0.000 0.276 339 S C 0.077 174.676 174.600 -0.003 0.000 1.148 339 S CA -0.802 57.460 58.200 0.104 0.000 0.886 339 S CB 1.389 64.644 63.200 0.092 0.000 1.109 339 S HN 0.563 nan 8.310 nan 0.000 0.458 359 N N 1.957 120.648 118.700 -0.014 0.000 2.689 359 N HA -0.136 4.604 4.740 -0.000 0.000 0.263 359 N C 0.558 176.055 175.510 -0.021 0.000 0.987 359 N CA 1.155 54.197 53.050 -0.013 0.000 0.782 359 N CB -1.183 37.295 38.487 -0.015 0.000 0.903 359 N HN 1.383 nan 8.380 nan 0.000 0.547 360 S N -1.096 114.591 115.700 -0.021 0.000 2.593 360 S HA 0.112 4.582 4.470 -0.000 0.000 0.269 360 S C 0.496 175.075 174.600 -0.036 0.000 1.334 360 S CA -0.806 57.372 58.200 -0.036 0.000 1.015 360 S CB 1.833 65.012 63.200 -0.035 0.000 0.912 360 S HN 0.424 nan 8.310 nan 0.000 0.541 361 Q N 0.767 120.525 119.800 -0.070 0.000 2.304 361 Q HA 0.003 4.343 4.340 -0.000 0.000 0.301 361 Q C -0.037 175.937 176.000 -0.043 0.000 1.063 361 Q CA 0.275 56.028 55.803 -0.084 0.000 0.947 361 Q CB 0.403 29.037 28.738 -0.172 0.000 1.201 361 Q HN 0.654 nan 8.270 nan 0.000 0.389 362 R N 3.935 124.423 120.500 -0.020 0.000 2.393 362 R HA 0.487 4.826 4.340 -0.000 0.000 0.310 362 R C -1.707 174.598 176.300 0.008 0.000 0.968 362 R CA -0.669 55.453 56.100 0.036 0.000 0.867 362 R CB 0.765 31.093 30.300 0.047 0.000 1.124 362 R HN 0.551 nan 8.270 nan 0.000 0.450 363 L N 6.028 127.281 121.223 0.051 0.000 2.404 363 L HA 0.397 4.737 4.340 -0.000 0.000 0.272 363 L C -1.537 175.356 176.870 0.038 0.000 0.980 363 L CA -0.653 54.179 54.840 -0.014 0.000 0.836 363 L CB 1.893 43.954 42.059 0.003 0.000 1.238 363 L HN 0.456 nan 8.230 nan 0.000 0.408 364 V N 3.576 123.450 119.914 -0.067 0.000 2.448 364 V HA 0.586 4.706 4.120 -0.000 0.000 0.295 364 V C -0.947 175.052 176.094 -0.159 0.000 1.025 364 V CA -0.320 61.983 62.300 0.006 0.000 0.859 364 V CB 1.470 33.260 31.823 -0.055 0.000 0.988 364 V HN 0.577 nan 8.190 nan 0.000 0.431 365 F N 7.099 126.963 119.950 -0.144 0.000 2.462 365 F HA 0.438 4.965 4.527 -0.000 0.000 0.354 365 F C 0.957 176.707 175.800 -0.084 0.000 1.192 365 F CA -0.412 57.454 58.000 -0.225 0.000 1.173 365 F CB 0.275 38.910 39.000 -0.608 0.000 1.402 365 F HN 0.849 nan 8.300 nan 0.000 0.595 366 N N 1.270 119.890 118.700 -0.133 0.000 2.377 366 N HA 0.196 4.936 4.740 -0.000 0.000 0.259 366 N C -0.207 174.771 175.510 -0.886 0.000 1.332 366 N CA -0.423 52.404 53.050 -0.372 0.000 0.877 366 N CB 0.440 38.855 38.487 -0.120 0.000 1.299 366 N HN 0.293 nan 8.380 nan 0.000 0.501 367 R N -0.303 119.804 120.500 -0.655 0.000 2.836 367 R HA 0.512 4.852 4.340 -0.000 0.000 0.269 367 R C -2.959 173.363 176.300 0.036 0.000 1.010 367 R CA -2.043 53.808 56.100 -0.416 0.000 0.930 367 R CB 1.473 31.671 30.300 -0.170 0.000 1.218 367 R HN -0.032 nan 8.270 nan 0.000 0.473 368 P HA -0.038 nan 4.420 nan 0.000 0.263 368 P C -1.147 176.418 177.300 0.443 0.000 1.195 368 P CA 0.556 63.896 63.100 0.401 0.000 0.762 368 P CB 0.165 32.015 31.700 0.251 0.000 0.799 369 F N 2.209 122.384 119.950 0.375 0.000 2.620 369 F HA 0.726 5.253 4.527 -0.000 0.000 0.320 369 F C -1.438 174.604 175.800 0.404 0.000 1.069 369 F CA -1.696 56.549 58.000 0.408 0.000 0.953 369 F CB 0.484 39.859 39.000 0.626 0.000 1.322 369 F HN -0.083 nan 8.300 nan 0.000 0.479 370 L N 2.647 124.221 121.223 0.584 0.000 2.343 370 L HA 0.596 4.936 4.340 -0.000 0.000 0.275 370 L C -0.348 176.923 176.870 0.668 0.000 1.056 370 L CA -0.793 54.350 54.840 0.504 0.000 0.804 370 L CB 1.538 43.906 42.059 0.516 0.000 1.203 370 L HN 0.900 nan 8.230 nan 0.000 0.440 371 M N 2.278 122.228 119.600 0.583 0.000 2.327 371 M HA 0.562 5.042 4.480 -0.000 0.000 0.298 371 M C -1.899 174.739 176.300 0.562 0.000 1.065 371 M CA -0.301 55.327 55.300 0.547 0.000 0.916 371 M CB 1.609 34.555 32.600 0.578 0.000 1.630 371 M HN 0.283 nan 8.290 nan 0.000 0.442 372 F N 4.530 124.547 119.950 0.112 0.000 2.561 372 F HA 0.665 5.192 4.527 -0.000 0.000 0.321 372 F C -0.434 175.443 175.800 0.128 0.000 1.065 372 F CA -0.905 57.170 58.000 0.125 0.000 0.934 372 F CB 1.949 41.039 39.000 0.151 0.000 1.215 372 F HN 0.399 nan 8.300 nan 0.000 0.471 373 I N 3.805 124.571 120.570 0.327 0.000 2.503 373 I HA 0.379 4.549 4.170 -0.000 0.000 0.282 373 I C -0.993 175.236 176.117 0.187 0.000 1.059 373 I CA -0.815 60.660 61.300 0.292 0.000 1.081 373 I CB 1.489 39.675 38.000 0.311 0.000 1.210 373 I HN 0.372 nan 8.210 nan 0.000 0.450 374 V N 2.070 122.109 119.914 0.208 0.000 2.994 374 V HA 0.784 4.903 4.120 -0.000 0.000 0.318 374 V C -0.718 175.445 176.094 0.114 0.000 1.085 374 V CA -0.312 62.072 62.300 0.140 0.000 0.998 374 V CB 2.288 34.217 31.823 0.177 0.000 1.063 374 V HN 0.781 nan 8.190 nan 0.000 0.447 375 D N 1.439 121.875 120.400 0.062 0.000 2.540 375 D HA 0.149 4.788 4.640 -0.000 0.000 0.194 375 D C 0.244 176.552 176.300 0.014 0.000 1.291 375 D CA 0.302 54.331 54.000 0.049 0.000 1.158 375 D CB 0.073 40.895 40.800 0.037 0.000 1.474 375 D HN 0.973 nan 8.370 nan 0.000 0.578 376 N N 1.391 120.103 118.700 0.020 0.000 1.904 376 N HA -0.220 4.520 4.740 -0.000 0.000 0.217 376 N C -0.170 175.332 175.510 -0.014 0.000 1.020 376 N CA 1.875 54.925 53.050 -0.001 0.000 3.606 376 N CB -0.696 37.783 38.487 -0.013 0.000 0.733 376 N HN 0.490 nan 8.380 nan 0.000 0.351 377 N N 0.535 119.219 118.700 -0.027 0.000 2.312 377 N HA 0.434 5.174 4.740 -0.000 0.000 0.296 377 N C -0.910 174.566 175.510 -0.057 0.000 1.193 377 N CA -0.526 52.496 53.050 -0.047 0.000 0.773 377 N CB 1.525 39.967 38.487 -0.076 0.000 1.435 377 N HN 0.058 nan 8.380 nan 0.000 0.484 378 I N 2.492 123.017 120.570 -0.075 0.000 2.372 378 I HA -0.032 4.138 4.170 -0.000 0.000 0.298 378 I C 1.139 177.106 176.117 -0.249 0.000 1.137 378 I CA -0.232 61.000 61.300 -0.113 0.000 1.314 378 I CB 0.166 38.074 38.000 -0.154 0.000 1.444 378 I HN 0.301 nan 8.210 nan 0.000 0.541 379 L N 6.714 127.772 121.223 -0.274 0.000 2.072 379 L HA 0.091 4.431 4.340 -0.000 0.000 0.205 379 L C 0.146 176.453 176.870 -0.940 0.000 1.079 379 L CA 1.637 56.138 54.840 -0.566 0.000 0.752 379 L CB -0.489 41.271 42.059 -0.499 0.000 0.906 379 L HN 0.318 nan 8.230 nan 0.000 0.436 380 F N -1.744 118.022 119.950 -0.305 0.000 2.591 380 F HA 0.574 5.101 4.527 -0.000 0.000 0.309 380 F C -0.568 174.924 175.800 -0.513 0.000 1.098 380 F CA -1.140 56.593 58.000 -0.444 0.000 0.937 380 F CB 1.811 40.657 39.000 -0.256 0.000 1.250 380 F HN -0.390 nan 8.300 nan 0.000 0.447 381 L N 1.857 122.708 121.223 -0.619 0.000 2.408 381 L HA 1.009 5.349 4.340 -0.000 0.000 0.268 381 L C -0.665 175.985 176.870 -0.366 0.000 0.986 381 L CA -0.117 54.306 54.840 -0.695 0.000 0.820 381 L CB 2.001 43.407 42.059 -1.089 0.000 1.303 381 L HN 0.710 nan 8.230 nan 0.000 0.411 382 G N 2.809 111.618 108.800 0.014 0.000 2.608 382 G HA2 0.469 4.429 3.960 -0.000 0.000 0.291 382 G HA3 0.469 4.429 3.960 -0.000 0.000 0.291 382 G C -2.186 172.935 174.900 0.368 0.000 1.425 382 G CA -0.755 44.570 45.100 0.376 0.000 0.787 382 G HN 0.632 nan 8.290 nan 0.000 0.484 383 K N 0.398 121.020 120.400 0.370 0.000 2.541 383 K HA 0.567 4.886 4.320 -0.000 0.000 0.250 383 K C -1.387 175.220 176.600 0.011 0.000 0.950 383 K CA -0.586 55.839 56.287 0.230 0.000 0.805 383 K CB 2.314 35.026 32.500 0.354 0.000 1.166 383 K HN 0.293 nan 8.250 nan 0.000 0.430 384 V N 5.295 125.008 119.914 -0.335 0.000 2.348 384 V HA 0.120 4.240 4.120 -0.000 0.000 0.270 384 V C 0.998 176.886 176.094 -0.344 0.000 1.037 384 V CA -0.512 61.432 62.300 -0.594 0.000 0.872 384 V CB 0.883 31.864 31.823 -1.405 0.000 1.002 384 V HN 0.865 nan 8.190 nan 0.000 0.464 385 N N 4.069 122.684 118.700 -0.142 0.000 2.402 385 N HA 0.110 4.850 4.740 -0.000 0.000 0.174 385 N C 0.733 176.256 175.510 0.022 0.000 1.027 385 N CA 0.216 53.283 53.050 0.029 0.000 0.891 385 N CB 0.578 39.095 38.487 0.050 0.000 1.016 385 N HN 0.620 nan 8.380 nan 0.000 0.439 386 R N 1.008 121.394 120.500 -0.190 0.000 2.549 386 R HA 0.327 4.667 4.340 -0.000 0.000 0.291 386 R C -2.805 173.245 176.300 -0.416 0.000 1.164 386 R CA -1.083 54.818 56.100 -0.331 0.000 0.973 386 R CB 1.703 31.924 30.300 -0.132 0.000 1.210 386 R HN -0.112 nan 8.270 nan 0.000 0.422 387 P HA 0.000 nan 4.420 nan 0.000 0.216 387 P CA 0.000 62.862 63.100 -0.396 0.000 0.800 387 P CB 0.000 31.493 31.700 -0.345 0.000 0.726