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 1rq2_1_B DATA FIRST_RESID 8 DATA SEQUENCE LAVIKVVGIG GGGVNAVNRM IEQGLKGVEF IAINTDAQAL LMSDADVKLD DATA SEQUENCE VGXXXXXXXX XXADPEVGRK AAEDAKDEIE ELLRGADMVF VTAGEGGGTG DATA SEQUENCE TGGAPVVASI ARKLGALTVG VVTRPFSFEG KRRSNQAENG IAALRESCDT DATA SEQUENCE LIVIPNDRLL QMGXXXVSLM DAFRSADEVL LNGVQGITDL ITTPGLINVD DATA SEQUENCE FADVKGIMSG AGTALMGIGS ARGEGRSLKA AEIAINSPLL EASMEGAQGV DATA SEQUENCE LMSIAGGSDL GLFEINEAAS LVQDAAHPDA NIIFGTVIDD SLGDEVRVTV DATA SEQUENCE IAAGFD 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 8 L HA 0.000 nan 4.340 nan 0.000 0.249 8 L C 0.000 176.781 176.870 -0.149 0.000 1.165 8 L CA 0.000 54.790 54.840 -0.083 0.000 0.813 8 L CB 0.000 42.021 42.059 -0.063 0.000 0.961 9 A N 1.519 124.201 122.820 -0.231 0.000 2.546 9 A HA 0.597 4.917 4.320 -0.000 0.000 0.243 9 A C 0.466 177.875 177.584 -0.292 0.000 1.063 9 A CA 0.322 52.098 52.037 -0.435 0.000 0.757 9 A CB 0.347 18.899 19.000 -0.746 0.000 0.991 9 A HN 1.935 nan 8.150 nan 0.000 0.503 10 V N 5.106 124.860 119.914 -0.268 0.000 2.368 10 V HA 0.248 4.368 4.120 -0.000 0.000 0.266 10 V C 0.121 176.120 176.094 -0.159 0.000 1.045 10 V CA 0.190 62.388 62.300 -0.170 0.000 0.899 10 V CB 0.257 32.006 31.823 -0.123 0.000 1.006 10 V HN 0.645 nan 8.190 nan 0.000 0.470 11 I N 5.675 126.172 120.570 -0.122 0.000 2.378 11 I HA 0.493 4.662 4.170 -0.000 0.000 0.291 11 I C -0.060 176.021 176.117 -0.060 0.000 0.992 11 I CA -0.651 60.619 61.300 -0.050 0.000 1.154 11 I CB 1.686 39.686 38.000 0.000 0.000 1.315 11 I HN 0.461 nan 8.210 nan 0.000 0.448 12 K N 5.281 125.680 120.400 -0.000 0.000 2.292 12 K HA 0.658 4.977 4.320 -0.000 0.000 0.257 12 K C -1.217 175.419 176.600 0.060 0.000 0.940 12 K CA -0.732 55.543 56.287 -0.021 0.000 0.811 12 K CB 2.891 35.389 32.500 -0.003 0.000 1.120 12 K HN 0.272 nan 8.250 nan 0.000 0.428 13 V N 3.511 123.426 119.914 0.001 0.000 2.357 13 V HA 0.251 4.371 4.120 -0.000 0.000 0.284 13 V C -0.502 175.682 176.094 0.150 0.000 1.018 13 V CA -0.919 61.444 62.300 0.105 0.000 0.841 13 V CB 1.570 33.413 31.823 0.032 0.000 0.991 13 V HN 0.457 nan 8.190 nan 0.000 0.437 14 V N 4.292 124.297 119.914 0.151 0.000 2.347 14 V HA 0.680 4.800 4.120 -0.000 0.000 0.280 14 V C 0.772 176.933 176.094 0.113 0.000 1.021 14 V CA -0.297 62.074 62.300 0.118 0.000 0.847 14 V CB 1.587 33.463 31.823 0.089 0.000 0.990 14 V HN 0.918 nan 8.190 nan 0.000 0.444 15 G N 4.517 113.376 108.800 0.099 0.000 2.343 15 G HA2 0.705 4.665 3.960 -0.000 0.000 0.319 15 G HA3 0.705 4.665 3.960 -0.000 0.000 0.319 15 G C -1.078 173.852 174.900 0.049 0.000 1.126 15 G CA -0.411 44.730 45.100 0.069 0.000 0.889 15 G HN 0.679 nan 8.290 nan 0.000 0.457 16 I N 1.971 122.564 120.570 0.040 0.000 2.545 16 I HA 0.705 4.875 4.170 -0.000 0.000 0.292 16 I C 0.483 176.612 176.117 0.020 0.000 1.040 16 I CA 0.320 61.637 61.300 0.029 0.000 1.068 16 I CB 1.616 39.633 38.000 0.029 0.000 1.251 16 I HN 1.157 nan 8.210 nan 0.000 0.424 17 G N 4.022 112.830 108.800 0.014 0.000 2.829 17 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.628 17 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.628 17 G C 0.552 175.455 174.900 0.004 0.000 1.412 17 G CA -0.213 44.892 45.100 0.008 0.000 0.864 17 G HN 1.217 nan 8.290 nan 0.000 0.544 18 G N -0.287 108.512 108.800 -0.000 0.000 2.440 18 G HA2 0.183 4.142 3.960 -0.000 0.000 0.218 18 G HA3 0.183 4.142 3.960 -0.000 0.000 0.218 18 G C 1.964 176.859 174.900 -0.007 0.000 1.154 18 G CA 2.064 47.161 45.100 -0.006 0.000 0.767 18 G HN 1.945 nan 8.290 nan 0.000 0.552 19 G N 0.547 109.344 108.800 -0.004 0.000 2.422 19 G HA2 0.107 4.067 3.960 -0.000 0.000 0.218 19 G HA3 0.107 4.067 3.960 -0.000 0.000 0.218 19 G C 1.700 176.601 174.900 0.002 0.000 1.140 19 G CA 1.355 46.453 45.100 -0.003 0.000 0.775 19 G HN 0.597 nan 8.290 nan 0.000 0.545 20 G N 0.338 109.143 108.800 0.009 0.000 2.395 20 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.214 20 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.214 20 G C 1.752 176.660 174.900 0.012 0.000 1.177 20 G CA 1.027 46.138 45.100 0.018 0.000 0.794 20 G HN 0.274 nan 8.290 nan 0.000 0.532 21 V N 1.548 121.465 119.914 0.005 0.000 2.332 21 V HA -0.221 3.898 4.120 -0.000 0.000 0.248 21 V C 2.643 178.721 176.094 -0.027 0.000 1.055 21 V CA 2.112 64.408 62.300 -0.006 0.000 1.038 21 V CB -0.562 31.258 31.823 -0.006 0.000 0.651 21 V HN 0.417 nan 8.190 nan 0.000 0.450 22 N N 0.499 119.184 118.700 -0.024 0.000 2.104 22 N HA -0.156 4.584 4.740 -0.000 0.000 0.190 22 N C 1.748 177.233 175.510 -0.041 0.000 1.024 22 N CA 1.737 54.767 53.050 -0.033 0.000 0.853 22 N CB -0.353 38.119 38.487 -0.025 0.000 1.008 22 N HN 0.436 nan 8.380 nan 0.000 0.424 23 A N -0.171 122.634 122.820 -0.026 0.000 1.902 23 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 23 A C 2.448 179.997 177.584 -0.058 0.000 1.181 23 A CA 1.601 53.623 52.037 -0.025 0.000 0.623 23 A CB -0.891 18.110 19.000 0.002 0.000 0.818 23 A HN 0.175 nan 8.150 nan 0.000 0.443 24 V N 0.917 120.793 119.914 -0.062 0.000 2.427 24 V HA -0.229 3.890 4.120 -0.000 0.000 0.248 24 V C 2.234 178.155 176.094 -0.289 0.000 1.051 24 V CA 2.066 64.282 62.300 -0.139 0.000 1.048 24 V CB -0.920 30.876 31.823 -0.044 0.000 0.666 24 V HN 0.551 nan 8.190 nan 0.000 0.456 25 N N 0.207 118.798 118.700 -0.182 0.000 2.166 25 N HA -0.172 4.567 4.740 -0.000 0.000 0.186 25 N C 1.944 177.346 175.510 -0.180 0.000 1.019 25 N CA 1.386 54.325 53.050 -0.184 0.000 0.856 25 N CB -0.441 37.981 38.487 -0.108 0.000 0.993 25 N HN 0.490 nan 8.380 nan 0.000 0.426 26 R N 0.581 121.000 120.500 -0.135 0.000 2.075 26 R HA 0.049 4.389 4.340 -0.000 0.000 0.232 26 R C 2.080 178.299 176.300 -0.134 0.000 1.126 26 R CA 0.979 57.017 56.100 -0.104 0.000 0.963 26 R CB -0.084 30.180 30.300 -0.059 0.000 0.858 26 R HN 0.141 nan 8.270 nan 0.000 0.435 27 M N 0.206 119.694 119.600 -0.186 0.000 2.117 27 M HA -0.165 4.315 4.480 -0.000 0.000 0.262 27 M C 2.188 178.311 176.300 -0.294 0.000 1.065 27 M CA 1.670 56.858 55.300 -0.186 0.000 1.114 27 M CB -0.199 32.312 32.600 -0.148 0.000 1.361 27 M HN 0.195 nan 8.290 nan 0.000 0.408 28 I N -0.187 120.064 120.570 -0.533 0.000 2.202 28 I HA -0.256 3.914 4.170 -0.000 0.000 0.242 28 I C 2.498 178.506 176.117 -0.182 0.000 1.091 28 I CA 1.281 62.317 61.300 -0.440 0.000 1.368 28 I CB -0.427 37.280 38.000 -0.487 0.000 1.058 28 I HN 0.259 nan 8.210 nan 0.000 0.410 29 E N 1.089 121.197 120.200 -0.154 0.000 2.160 29 E HA -0.249 4.100 4.350 -0.000 0.000 0.195 29 E C 2.015 178.581 176.600 -0.056 0.000 0.991 29 E CA 1.525 57.873 56.400 -0.086 0.000 0.810 29 E CB -0.106 29.549 29.700 -0.075 0.000 0.742 29 E HN 0.430 nan 8.360 nan 0.000 0.466 30 Q N -0.887 118.878 119.800 -0.058 0.000 2.403 30 Q HA 0.125 4.465 4.340 -0.000 0.000 0.203 30 Q C 0.851 176.845 176.000 -0.009 0.000 0.932 30 Q CA 0.699 56.485 55.803 -0.028 0.000 0.945 30 Q CB 0.631 29.355 28.738 -0.023 0.000 1.045 30 Q HN 0.458 nan 8.270 nan 0.000 0.511 31 G N 2.076 110.871 108.800 -0.007 0.000 2.198 31 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.257 31 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.257 31 G C -0.122 174.817 174.900 0.066 0.000 1.042 31 G CA 0.045 45.162 45.100 0.028 0.000 0.791 31 G HN 0.313 nan 8.290 nan 0.000 0.502 32 L N 0.621 121.904 121.223 0.101 0.000 2.628 32 L HA 0.346 4.686 4.340 -0.000 0.000 0.274 32 L C 0.643 177.619 176.870 0.176 0.000 1.209 32 L CA 0.403 55.335 54.840 0.153 0.000 0.930 32 L CB 0.171 42.381 42.059 0.252 0.000 1.183 32 L HN 0.219 nan 8.230 nan 0.000 0.492 33 K N 3.835 124.274 120.400 0.064 0.000 2.185 33 K HA 0.639 4.959 4.320 -0.000 0.000 0.240 33 K C 0.794 177.366 176.600 -0.047 0.000 0.983 33 K CA -0.092 56.208 56.287 0.023 0.000 0.873 33 K CB 1.291 33.798 32.500 0.012 0.000 1.118 33 K HN 0.768 nan 8.250 nan 0.000 0.441 34 G N -0.547 108.213 108.800 -0.067 0.000 2.162 34 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.260 34 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.260 34 G C -0.005 174.803 174.900 -0.154 0.000 0.976 34 G CA 0.530 45.575 45.100 -0.091 0.000 0.655 34 G HN 0.545 nan 8.290 nan 0.000 0.533 35 V N -3.401 116.353 119.914 -0.267 0.000 3.040 35 V HA 0.876 4.996 4.120 -0.000 0.000 0.312 35 V C -0.179 175.606 176.094 -0.514 0.000 1.115 35 V CA -1.060 61.006 62.300 -0.389 0.000 0.998 35 V CB 2.171 33.676 31.823 -0.530 0.000 1.042 35 V HN 0.374 nan 8.190 nan 0.000 0.433 36 E N 1.467 121.429 120.200 -0.397 0.000 2.197 36 E HA 0.500 4.850 4.350 -0.000 0.000 0.281 36 E C -1.633 174.747 176.600 -0.367 0.000 0.995 36 E CA -0.653 55.564 56.400 -0.306 0.000 0.808 36 E CB 1.161 30.781 29.700 -0.134 0.000 1.093 36 E HN 0.646 nan 8.360 nan 0.000 0.394 37 F N 4.481 124.428 119.950 -0.004 0.000 2.408 37 F HA 0.434 4.961 4.527 -0.000 0.000 0.344 37 F C 0.213 176.015 175.800 0.003 0.000 1.112 37 F CA -0.699 57.300 58.000 -0.003 0.000 1.096 37 F CB 1.030 40.023 39.000 -0.011 0.000 1.129 37 F HN 0.288 nan 8.300 nan 0.000 0.486 38 I N 2.997 123.685 120.570 0.196 0.000 2.466 38 I HA 0.516 4.686 4.170 -0.000 0.000 0.289 38 I C -0.640 175.539 176.117 0.103 0.000 1.026 38 I CA -0.822 60.548 61.300 0.115 0.000 1.078 38 I CB 1.873 39.918 38.000 0.075 0.000 1.249 38 I HN 0.636 nan 8.210 nan 0.000 0.429 39 A N 8.055 130.918 122.820 0.072 0.000 2.258 39 A HA 0.770 5.090 4.320 -0.000 0.000 0.316 39 A C -0.541 177.064 177.584 0.035 0.000 1.279 39 A CA -0.385 51.680 52.037 0.047 0.000 0.876 39 A CB 0.303 19.319 19.000 0.026 0.000 1.170 39 A HN 0.683 nan 8.150 nan 0.000 0.520 40 I N 3.403 123.993 120.570 0.033 0.000 2.355 40 I HA 0.206 4.376 4.170 -0.000 0.000 0.288 40 I C 0.150 176.277 176.117 0.017 0.000 0.999 40 I CA -0.487 60.828 61.300 0.024 0.000 1.163 40 I CB 1.332 39.348 38.000 0.026 0.000 1.316 40 I HN 0.687 nan 8.210 nan 0.000 0.454 41 N N 4.469 123.176 118.700 0.013 0.000 2.472 41 N HA 0.154 4.894 4.740 -0.000 0.000 0.277 41 N C 0.534 176.048 175.510 0.008 0.000 1.081 41 N CA 0.041 53.096 53.050 0.008 0.000 0.973 41 N CB 1.414 39.904 38.487 0.005 0.000 1.105 41 N HN 0.696 nan 8.380 nan 0.000 0.470 42 T N -1.431 113.127 114.554 0.007 0.000 3.040 42 T HA 0.192 4.541 4.350 -0.000 0.000 0.266 42 T C -0.166 174.536 174.700 0.004 0.000 1.005 42 T CA -0.319 61.785 62.100 0.006 0.000 0.906 42 T CB 0.401 69.273 68.868 0.007 0.000 1.082 42 T HN 0.339 nan 8.240 nan 0.000 0.531 43 D N 1.438 121.839 120.400 0.003 0.000 2.177 43 D HA 0.561 5.201 4.640 -0.000 0.000 0.247 43 D C 1.057 177.357 176.300 0.001 0.000 1.063 43 D CA -0.243 53.758 54.000 0.002 0.000 0.867 43 D CB 2.041 42.841 40.800 0.000 0.000 1.168 43 D HN 0.200 nan 8.370 nan 0.000 0.445 44 A N 1.913 124.733 122.820 0.001 0.000 1.898 44 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 44 A C 1.988 179.572 177.584 0.000 0.000 1.181 44 A CA 1.147 53.185 52.037 0.001 0.000 0.620 44 A CB -0.059 18.942 19.000 0.001 0.000 0.819 44 A HN 0.423 nan 8.150 nan 0.000 0.442 45 Q N -1.636 118.164 119.800 -0.000 0.000 2.354 45 Q HA 0.523 4.863 4.340 -0.000 0.000 0.203 45 Q C 0.599 176.598 176.000 -0.002 0.000 0.933 45 Q CA 0.585 56.387 55.803 -0.001 0.000 0.901 45 Q CB 0.031 28.769 28.738 -0.001 0.000 1.007 45 Q HN 0.926 nan 8.270 nan 0.000 0.495 46 A N -0.153 122.665 122.820 -0.002 0.000 2.539 46 A HA 0.802 5.122 4.320 -0.000 0.000 0.296 46 A C -1.664 175.918 177.584 -0.003 0.000 1.073 46 A CA -0.697 51.337 52.037 -0.003 0.000 0.700 46 A CB 1.645 20.643 19.000 -0.005 0.000 1.296 46 A HN 0.300 nan 8.150 nan 0.000 0.405 47 L N 1.510 122.730 121.223 -0.004 0.000 2.441 47 L HA 0.674 5.014 4.340 -0.000 0.000 0.270 47 L C -1.635 175.231 176.870 -0.007 0.000 0.973 47 L CA -0.506 54.331 54.840 -0.004 0.000 0.842 47 L CB 1.696 43.754 42.059 -0.003 0.000 1.239 47 L HN 0.722 nan 8.230 nan 0.000 0.406 48 L N 5.484 126.702 121.223 -0.008 0.000 2.281 48 L HA 0.483 4.823 4.340 -0.000 0.000 0.285 48 L C -0.066 176.797 176.870 -0.012 0.000 1.074 48 L CA 0.384 55.217 54.840 -0.012 0.000 0.817 48 L CB 0.768 42.819 42.059 -0.014 0.000 1.168 48 L HN 0.724 nan 8.230 nan 0.000 0.434 49 M N 3.238 122.830 119.600 -0.014 0.000 2.228 49 M HA 0.300 4.780 4.480 -0.000 0.000 0.326 49 M C 0.271 176.559 176.300 -0.020 0.000 1.122 49 M CA 0.241 55.533 55.300 -0.014 0.000 1.161 49 M CB 1.220 33.812 32.600 -0.013 0.000 1.437 49 M HN 0.737 nan 8.290 nan 0.000 0.465 50 S N -0.629 115.059 115.700 -0.019 0.000 2.541 50 S HA 0.285 4.754 4.470 -0.000 0.000 0.271 50 S C -0.869 173.715 174.600 -0.027 0.000 1.133 50 S CA -0.820 57.362 58.200 -0.030 0.000 0.876 50 S CB 1.269 64.454 63.200 -0.024 0.000 1.105 50 S HN 0.694 nan 8.310 nan 0.000 0.470 51 D N 2.184 122.557 120.400 -0.044 0.000 2.336 51 D HA 0.310 4.950 4.640 -0.000 0.000 0.228 51 D C 0.756 177.046 176.300 -0.017 0.000 1.120 51 D CA 0.154 54.135 54.000 -0.032 0.000 0.839 51 D CB 0.254 41.029 40.800 -0.042 0.000 0.932 51 D HN 0.640 nan 8.370 nan 0.000 0.509 52 A N 0.673 123.488 122.820 -0.008 0.000 2.507 52 A HA -0.024 4.295 4.320 -0.000 0.000 0.235 52 A C 1.307 178.940 177.584 0.082 0.000 1.070 52 A CA -0.012 52.062 52.037 0.061 0.000 0.768 52 A CB 0.529 19.576 19.000 0.077 0.000 1.011 52 A HN 0.025 nan 8.150 nan 0.000 0.502 53 D N -0.175 120.303 120.400 0.130 0.000 2.123 53 D HA -0.061 4.579 4.640 -0.000 0.000 0.196 53 D C 0.207 176.542 176.300 0.057 0.000 0.992 53 D CA 1.640 55.692 54.000 0.087 0.000 0.833 53 D CB -0.032 40.819 40.800 0.086 0.000 0.954 53 D HN 0.223 nan 8.370 nan 0.000 0.455 54 V N 0.906 120.858 119.914 0.064 0.000 2.638 54 V HA 0.285 4.405 4.120 -0.000 0.000 0.306 54 V C -0.455 175.665 176.094 0.045 0.000 1.052 54 V CA -0.744 61.583 62.300 0.044 0.000 0.885 54 V CB 2.460 34.306 31.823 0.039 0.000 0.999 54 V HN -0.103 nan 8.190 nan 0.000 0.424 55 K N 4.474 124.893 120.400 0.031 0.000 2.427 55 K HA 0.771 5.091 4.320 -0.000 0.000 0.252 55 K C -1.683 174.929 176.600 0.020 0.000 0.931 55 K CA -0.843 55.459 56.287 0.026 0.000 0.793 55 K CB 2.823 35.334 32.500 0.019 0.000 1.211 55 K HN 0.400 nan 8.250 nan 0.000 0.426 56 L N 2.127 123.362 121.223 0.019 0.000 2.406 56 L HA 0.350 4.690 4.340 -0.000 0.000 0.272 56 L C -1.592 175.286 176.870 0.013 0.000 0.980 56 L CA -0.332 54.517 54.840 0.015 0.000 0.831 56 L CB 1.716 43.785 42.059 0.017 0.000 1.253 56 L HN 0.562 nan 8.230 nan 0.000 0.406 57 D N 3.323 123.729 120.400 0.010 0.000 2.443 57 D HA 0.233 4.872 4.640 -0.000 0.000 0.221 57 D C 0.763 177.067 176.300 0.007 0.000 1.097 57 D CA -0.131 53.874 54.000 0.008 0.000 0.865 57 D CB 1.320 42.124 40.800 0.006 0.000 1.034 57 D HN 0.376 nan 8.370 nan 0.000 0.511 58 V N 2.019 121.937 119.914 0.008 0.000 3.608 58 V HA 0.454 4.574 4.120 -0.000 0.000 0.269 58 V C 1.068 177.165 176.094 0.005 0.000 1.245 58 V CA 0.424 62.728 62.300 0.007 0.000 1.138 58 V CB -0.232 31.596 31.823 0.008 0.000 0.841 58 V HN 0.346 nan 8.190 nan 0.000 0.451 71 D N 0.830 121.231 120.400 0.002 0.000 2.277 71 D HA 0.343 4.982 4.640 -0.000 0.000 0.249 71 D C -1.644 174.658 176.300 0.002 0.000 1.134 71 D CA -1.393 52.608 54.000 0.002 0.000 0.863 71 D CB 1.879 42.680 40.800 0.002 0.000 1.143 71 D HN -0.008 nan 8.370 nan 0.000 0.458 72 P HA -0.165 nan 4.420 nan 0.000 0.216 72 P C 1.228 178.529 177.300 0.002 0.000 1.153 72 P CA 0.805 63.907 63.100 0.002 0.000 0.858 72 P CB 0.305 32.006 31.700 0.001 0.000 0.789 73 E N -0.548 119.653 120.200 0.002 0.000 2.097 73 E HA -0.179 4.170 4.350 -0.000 0.000 0.196 73 E C 2.029 178.631 176.600 0.002 0.000 1.000 73 E CA 1.516 57.917 56.400 0.002 0.000 0.804 73 E CB -1.417 28.284 29.700 0.001 0.000 0.740 73 E HN 0.005 nan 8.360 nan 0.000 0.454 74 V N 0.278 120.193 119.914 0.002 0.000 2.343 74 V HA -0.139 3.981 4.120 -0.000 0.000 0.247 74 V C 2.707 178.803 176.094 0.003 0.000 1.051 74 V CA 2.082 64.383 62.300 0.003 0.000 1.036 74 V CB -1.199 30.626 31.823 0.002 0.000 0.654 74 V HN 0.597 nan 8.190 nan 0.000 0.451 75 G N -0.722 108.080 108.800 0.004 0.000 2.402 75 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.216 75 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.216 75 G C 1.710 176.613 174.900 0.005 0.000 1.162 75 G CA 0.771 45.874 45.100 0.005 0.000 0.777 75 G HN 0.383 nan 8.290 nan 0.000 0.539 76 R N 0.628 121.131 120.500 0.004 0.000 2.080 76 R HA -0.093 4.247 4.340 -0.000 0.000 0.236 76 R C 2.483 178.785 176.300 0.004 0.000 1.137 76 R CA 1.771 57.873 56.100 0.004 0.000 0.943 76 R CB -0.308 29.994 30.300 0.003 0.000 0.846 76 R HN 0.270 nan 8.270 nan 0.000 0.431 77 K N -0.313 120.089 120.400 0.003 0.000 2.057 77 K HA -0.093 4.227 4.320 -0.000 0.000 0.207 77 K C 2.125 178.728 176.600 0.004 0.000 1.049 77 K CA 1.302 57.591 56.287 0.003 0.000 0.931 77 K CB -0.146 32.356 32.500 0.002 0.000 0.714 77 K HN 0.236 nan 8.250 nan 0.000 0.440 78 A N 1.553 124.375 122.820 0.004 0.000 1.877 78 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 78 A C 2.369 179.956 177.584 0.006 0.000 1.186 78 A CA 1.976 54.016 52.037 0.005 0.000 0.620 78 A CB -0.683 18.320 19.000 0.005 0.000 0.822 78 A HN 0.348 nan 8.150 nan 0.000 0.443 79 A N -0.557 122.266 122.820 0.006 0.000 1.898 79 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 79 A C 1.952 179.540 177.584 0.006 0.000 1.181 79 A CA 1.575 53.617 52.037 0.007 0.000 0.620 79 A CB -0.441 18.564 19.000 0.009 0.000 0.819 79 A HN 0.478 nan 8.150 nan 0.000 0.442 80 E N 0.472 120.675 120.200 0.005 0.000 2.085 80 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 80 E C 1.382 177.985 176.600 0.004 0.000 0.994 80 E CA 1.397 57.800 56.400 0.004 0.000 0.801 80 E CB -0.444 29.258 29.700 0.003 0.000 0.743 80 E HN 0.546 nan 8.360 nan 0.000 0.453 81 D N 0.252 120.654 120.400 0.004 0.000 2.218 81 D HA -0.108 4.532 4.640 -0.000 0.000 0.204 81 D C 1.146 177.448 176.300 0.004 0.000 0.976 81 D CA 1.098 55.100 54.000 0.003 0.000 0.853 81 D CB 0.013 40.815 40.800 0.003 0.000 0.939 81 D HN 0.139 nan 8.370 nan 0.000 0.481 82 A N 0.563 123.386 122.820 0.005 0.000 2.500 82 A HA 0.054 4.374 4.320 -0.000 0.000 0.267 82 A C 1.792 179.380 177.584 0.006 0.000 1.290 82 A CA -0.248 51.792 52.037 0.006 0.000 0.928 82 A CB -0.143 18.861 19.000 0.007 0.000 1.066 82 A HN 0.172 nan 8.150 nan 0.000 0.516 83 K N 0.223 120.626 120.400 0.005 0.000 2.074 83 K HA -0.233 4.087 4.320 -0.000 0.000 0.209 83 K C 0.542 177.145 176.600 0.005 0.000 1.048 83 K CA 1.868 58.158 56.287 0.005 0.000 0.926 83 K CB -0.398 32.104 32.500 0.004 0.000 0.713 83 K HN 0.216 nan 8.250 nan 0.000 0.444 84 D N 1.299 121.701 120.400 0.004 0.000 2.117 84 D HA -0.135 4.505 4.640 -0.000 0.000 0.197 84 D C 1.869 178.172 176.300 0.004 0.000 0.987 84 D CA 1.423 55.425 54.000 0.004 0.000 0.829 84 D CB -0.167 40.635 40.800 0.003 0.000 0.961 84 D HN 0.379 nan 8.370 nan 0.000 0.460 85 E N 0.285 120.488 120.200 0.005 0.000 2.072 85 E HA -0.048 4.302 4.350 -0.000 0.000 0.191 85 E C 2.284 178.888 176.600 0.008 0.000 0.985 85 E CA 0.314 56.718 56.400 0.006 0.000 0.801 85 E CB -0.168 29.536 29.700 0.007 0.000 0.750 85 E HN 0.323 nan 8.360 nan 0.000 0.452 86 I N 0.776 121.351 120.570 0.009 0.000 2.179 86 I HA -0.275 3.894 4.170 -0.000 0.000 0.242 86 I C 2.515 178.637 176.117 0.009 0.000 1.088 86 I CA 1.293 62.599 61.300 0.011 0.000 1.357 86 I CB -0.222 37.785 38.000 0.012 0.000 1.051 86 I HN 0.162 nan 8.210 nan 0.000 0.409 87 E N 1.060 121.264 120.200 0.006 0.000 2.070 87 E HA -0.337 4.012 4.350 -0.000 0.000 0.197 87 E C 2.040 178.642 176.600 0.003 0.000 1.004 87 E CA 1.859 58.262 56.400 0.004 0.000 0.805 87 E CB 0.001 29.703 29.700 0.003 0.000 0.744 87 E HN 0.358 nan 8.360 nan 0.000 0.451 88 E N 0.519 120.721 120.200 0.003 0.000 2.153 88 E HA -0.145 4.205 4.350 -0.000 0.000 0.194 88 E C 2.043 178.645 176.600 0.002 0.000 0.988 88 E CA 1.035 57.436 56.400 0.002 0.000 0.811 88 E CB -0.250 29.451 29.700 0.003 0.000 0.746 88 E HN 0.390 nan 8.360 nan 0.000 0.466 89 L N -0.224 121.003 121.223 0.005 0.000 2.141 89 L HA -0.078 4.262 4.340 -0.000 0.000 0.209 89 L C 2.181 179.054 176.870 0.005 0.000 1.094 89 L CA 0.783 55.627 54.840 0.007 0.000 0.763 89 L CB -0.241 41.826 42.059 0.013 0.000 0.908 89 L HN 0.224 nan 8.230 nan 0.000 0.437 90 L N -0.965 120.261 121.223 0.005 0.000 2.477 90 L HA 0.048 4.388 4.340 -0.000 0.000 0.220 90 L C 1.380 178.248 176.870 -0.004 0.000 1.106 90 L CA -0.167 54.675 54.840 0.003 0.000 0.851 90 L CB -0.169 41.894 42.059 0.006 0.000 0.994 90 L HN 0.147 nan 8.230 nan 0.000 0.462 91 R N 0.930 121.427 120.500 -0.004 0.000 2.537 91 R HA 0.112 4.452 4.340 -0.000 0.000 0.281 91 R C 1.051 177.344 176.300 -0.012 0.000 0.988 91 R CA 1.189 57.285 56.100 -0.006 0.000 1.077 91 R CB 0.153 30.450 30.300 -0.005 0.000 0.932 91 R HN 0.310 nan 8.270 nan 0.000 0.409 92 G N 1.889 110.681 108.800 -0.015 0.000 2.175 92 G HA2 -0.284 3.675 3.960 -0.000 0.000 0.244 92 G HA3 -0.284 3.675 3.960 -0.000 0.000 0.244 92 G C 0.030 174.908 174.900 -0.036 0.000 0.982 92 G CA -0.033 45.053 45.100 -0.023 0.000 0.641 92 G HN 0.930 nan 8.290 nan 0.000 0.527 93 A N 0.340 123.142 122.820 -0.031 0.000 2.440 93 A HA 0.568 4.888 4.320 -0.000 0.000 0.251 93 A C 1.114 178.671 177.584 -0.045 0.000 1.089 93 A CA 0.694 52.705 52.037 -0.043 0.000 0.779 93 A CB 0.349 19.335 19.000 -0.024 0.000 1.022 93 A HN 0.192 nan 8.150 nan 0.000 0.492 94 D N 0.964 121.306 120.400 -0.098 0.000 2.249 94 D HA 0.053 4.692 4.640 -0.000 0.000 0.205 94 D C 0.289 176.608 176.300 0.032 0.000 0.962 94 D CA 1.253 55.199 54.000 -0.090 0.000 0.860 94 D CB 0.204 40.774 40.800 -0.384 0.000 0.955 94 D HN 0.610 nan 8.370 nan 0.000 0.505 95 M N 0.877 120.467 119.600 -0.017 0.000 2.324 95 M HA 0.288 4.768 4.480 -0.000 0.000 0.288 95 M C -2.190 174.123 176.300 0.022 0.000 1.097 95 M CA -0.483 54.848 55.300 0.052 0.000 0.928 95 M CB 2.917 35.597 32.600 0.134 0.000 1.648 95 M HN -0.413 nan 8.290 nan 0.000 0.460 96 V N 4.838 124.738 119.914 -0.025 0.000 2.531 96 V HA 0.535 4.655 4.120 -0.000 0.000 0.301 96 V C -1.124 174.942 176.094 -0.048 0.000 1.034 96 V CA -0.502 61.809 62.300 0.020 0.000 0.865 96 V CB 1.854 33.684 31.823 0.011 0.000 0.995 96 V HN 0.710 nan 8.190 nan 0.000 0.424 97 F N 3.401 123.360 119.950 0.015 0.000 2.399 97 F HA 0.715 5.241 4.527 -0.000 0.000 0.334 97 F C 0.140 175.956 175.800 0.026 0.000 1.097 97 F CA -0.554 57.461 58.000 0.024 0.000 1.076 97 F CB 1.988 41.005 39.000 0.029 0.000 1.162 97 F HN 0.171 nan 8.300 nan 0.000 0.495 98 V N 1.994 122.022 119.914 0.191 0.000 2.577 98 V HA 0.631 4.751 4.120 -0.000 0.000 0.303 98 V C -0.456 175.709 176.094 0.119 0.000 1.042 98 V CA -0.560 61.813 62.300 0.123 0.000 0.872 98 V CB 1.972 33.833 31.823 0.064 0.000 0.998 98 V HN 0.800 nan 8.190 nan 0.000 0.423 99 T N 2.705 117.320 114.554 0.101 0.000 2.956 99 T HA 0.636 4.985 4.350 -0.000 0.000 0.312 99 T C 0.380 175.111 174.700 0.052 0.000 1.151 99 T CA 0.444 62.589 62.100 0.076 0.000 1.024 99 T CB 1.912 70.832 68.868 0.086 0.000 1.140 99 T HN 0.860 nan 8.240 nan 0.000 0.473 100 A N 2.519 125.360 122.820 0.036 0.000 2.308 100 A HA 0.656 4.976 4.320 -0.000 0.000 0.217 100 A C 1.529 179.124 177.584 0.018 0.000 1.216 100 A CA 0.921 52.973 52.037 0.024 0.000 0.864 100 A CB -1.181 17.829 19.000 0.017 0.000 0.902 100 A HN 1.929 nan 8.150 nan 0.000 0.499 101 G N 0.162 108.976 108.800 0.023 0.000 2.566 101 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.280 101 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.280 101 G C -0.273 174.633 174.900 0.011 0.000 1.225 101 G CA 0.151 45.261 45.100 0.017 0.000 0.966 101 G HN 0.479 nan 8.290 nan 0.000 0.560 102 E N 1.488 121.695 120.200 0.012 0.000 2.349 102 E HA 0.510 4.860 4.350 -0.000 0.000 0.262 102 E C 0.875 177.479 176.600 0.007 0.000 1.088 102 E CA 0.517 56.925 56.400 0.014 0.000 0.899 102 E CB 0.586 30.307 29.700 0.035 0.000 1.044 102 E HN 2.270 nan 8.360 nan 0.000 0.420 103 G N 0.410 109.216 108.800 0.010 0.000 2.870 103 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.685 103 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.685 103 G C 0.424 175.325 174.900 0.002 0.000 1.556 103 G CA -0.370 44.733 45.100 0.006 0.000 1.042 103 G HN 0.669 nan 8.290 nan 0.000 0.592 104 G N -0.030 108.772 108.800 0.003 0.000 3.086 104 G HA2 0.985 4.945 3.960 -0.000 0.000 0.159 104 G HA3 0.985 4.945 3.960 -0.000 0.000 0.159 104 G C 1.212 176.113 174.900 0.002 0.000 1.654 104 G CA 1.131 46.232 45.100 0.002 0.000 1.078 104 G HN 2.784 nan 8.290 nan 0.000 0.558 105 G N -2.251 106.550 108.800 0.002 0.000 2.466 105 G HA2 0.141 4.101 3.960 -0.000 0.000 0.316 105 G HA3 0.141 4.101 3.960 -0.000 0.000 0.316 105 G C 1.040 175.942 174.900 0.003 0.000 1.270 105 G CA 0.793 45.895 45.100 0.002 0.000 0.982 105 G HN 1.579 nan 8.290 nan 0.000 0.506 106 T N -1.385 113.171 114.554 0.003 0.000 2.929 106 T HA 0.122 4.471 4.350 -0.000 0.000 0.271 106 T C 2.539 177.243 174.700 0.006 0.000 1.085 106 T CA 2.129 64.231 62.100 0.004 0.000 1.125 106 T CB -0.554 68.317 68.868 0.004 0.000 0.874 106 T HN 1.936 nan 8.240 nan 0.000 0.494 107 G N 1.116 109.920 108.800 0.006 0.000 2.432 107 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.219 107 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.219 107 G C 1.688 176.594 174.900 0.010 0.000 1.135 107 G CA 1.368 46.473 45.100 0.010 0.000 0.767 107 G HN 0.596 nan 8.290 nan 0.000 0.550 108 T N -0.098 114.460 114.554 0.007 0.000 2.915 108 T HA 0.102 4.451 4.350 -0.000 0.000 0.269 108 T C 2.386 177.089 174.700 0.005 0.000 1.071 108 T CA 1.919 64.022 62.100 0.006 0.000 1.132 108 T CB -0.364 68.505 68.868 0.002 0.000 0.878 108 T HN 0.210 nan 8.240 nan 0.000 0.479 109 G N -0.044 108.759 108.800 0.005 0.000 2.408 109 G HA2 0.167 4.127 3.960 -0.000 0.000 0.215 109 G HA3 0.167 4.127 3.960 -0.000 0.000 0.215 109 G C 1.674 176.578 174.900 0.006 0.000 1.156 109 G CA 0.627 45.730 45.100 0.004 0.000 0.793 109 G HN 0.577 nan 8.290 nan 0.000 0.535 110 G N 0.930 109.734 108.800 0.008 0.000 2.430 110 G HA2 0.176 4.135 3.960 -0.000 0.000 0.216 110 G HA3 0.176 4.135 3.960 -0.000 0.000 0.216 110 G C 2.009 176.916 174.900 0.013 0.000 1.146 110 G CA 1.315 46.421 45.100 0.010 0.000 0.793 110 G HN 0.549 nan 8.290 nan 0.000 0.537 111 A N 1.903 124.732 122.820 0.014 0.000 1.892 111 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 111 A C 0.711 178.304 177.584 0.014 0.000 1.188 111 A CA 2.109 54.157 52.037 0.018 0.000 0.631 111 A CB -1.282 17.730 19.000 0.020 0.000 0.822 111 A HN 0.377 nan 8.150 nan 0.000 0.447 112 P HA -0.073 nan 4.420 nan 0.000 0.218 112 P C 1.510 178.813 177.300 0.004 0.000 1.149 112 P CA 1.174 64.276 63.100 0.005 0.000 0.817 112 P CB -0.100 31.602 31.700 0.002 0.000 0.785 113 V N -0.649 119.269 119.914 0.006 0.000 2.307 113 V HA -0.177 3.942 4.120 -0.000 0.000 0.245 113 V C 2.435 178.534 176.094 0.007 0.000 1.045 113 V CA 1.635 63.938 62.300 0.006 0.000 1.024 113 V CB -1.256 30.571 31.823 0.006 0.000 0.651 113 V HN -0.032 nan 8.190 nan 0.000 0.449 114 V N 0.529 120.449 119.914 0.011 0.000 2.343 114 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 114 V C 2.746 178.847 176.094 0.011 0.000 1.051 114 V CA 2.101 64.410 62.300 0.014 0.000 1.036 114 V CB -1.181 30.655 31.823 0.023 0.000 0.654 114 V HN 0.551 nan 8.190 nan 0.000 0.451 115 A N -0.483 122.342 122.820 0.009 0.000 1.877 115 A HA -0.210 4.109 4.320 -0.000 0.000 0.216 115 A C 2.497 180.079 177.584 -0.004 0.000 1.186 115 A CA 2.233 54.271 52.037 0.001 0.000 0.620 115 A CB -0.778 18.220 19.000 -0.002 0.000 0.822 115 A HN 0.493 nan 8.150 nan 0.000 0.443 116 S N -0.198 115.501 115.700 -0.002 0.000 2.370 116 S HA -0.153 4.317 4.470 -0.000 0.000 0.226 116 S C 1.802 176.400 174.600 -0.002 0.000 1.033 116 S CA 1.600 59.798 58.200 -0.003 0.000 1.011 116 S CB -0.518 62.681 63.200 -0.002 0.000 0.852 116 S HN 0.532 nan 8.310 nan 0.000 0.457 117 I N 1.576 122.146 120.570 0.001 0.000 2.179 117 I HA -0.232 3.938 4.170 -0.000 0.000 0.242 117 I C 2.680 178.798 176.117 0.001 0.000 1.088 117 I CA 1.125 62.426 61.300 0.002 0.000 1.357 117 I CB -0.523 37.479 38.000 0.004 0.000 1.051 117 I HN 0.262 nan 8.210 nan 0.000 0.409 118 A N 0.531 123.352 122.820 0.001 0.000 1.892 118 A HA -0.273 4.047 4.320 -0.000 0.000 0.218 118 A C 2.456 180.038 177.584 -0.004 0.000 1.188 118 A CA 1.902 53.939 52.037 -0.001 0.000 0.631 118 A CB -0.691 18.307 19.000 -0.003 0.000 0.822 118 A HN 0.322 nan 8.150 nan 0.000 0.447 119 R N -0.871 119.624 120.500 -0.008 0.000 2.092 119 R HA -0.123 4.216 4.340 -0.000 0.000 0.231 119 R C 2.171 178.468 176.300 -0.005 0.000 1.119 119 R CA 1.665 57.760 56.100 -0.009 0.000 0.970 119 R CB -0.123 30.169 30.300 -0.014 0.000 0.864 119 R HN 0.429 nan 8.270 nan 0.000 0.440 120 K N 0.581 120.979 120.400 -0.003 0.000 2.217 120 K HA -0.040 4.279 4.320 -0.000 0.000 0.202 120 K C 1.605 178.205 176.600 -0.000 0.000 1.051 120 K CA 0.975 57.260 56.287 -0.002 0.000 0.952 120 K CB -0.033 32.466 32.500 -0.002 0.000 0.736 120 K HN 0.162 nan 8.250 nan 0.000 0.453 121 L N -0.949 120.275 121.223 0.000 0.000 2.552 121 L HA 0.133 4.473 4.340 -0.000 0.000 0.227 121 L C 1.154 178.027 176.870 0.004 0.000 1.146 121 L CA 0.629 55.470 54.840 0.002 0.000 0.858 121 L CB -0.038 42.022 42.059 0.001 0.000 0.969 121 L HN 0.581 nan 8.230 nan 0.000 0.451 122 G N -0.491 108.312 108.800 0.005 0.000 2.175 122 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.244 122 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.244 122 G C 0.414 175.327 174.900 0.022 0.000 0.982 122 G CA -0.039 45.068 45.100 0.011 0.000 0.641 122 G HN 0.488 nan 8.290 nan 0.000 0.527 123 A N 0.020 122.851 122.820 0.017 0.000 2.462 123 A HA 0.647 4.967 4.320 -0.000 0.000 0.243 123 A C 0.593 178.192 177.584 0.024 0.000 1.076 123 A CA 0.237 52.291 52.037 0.029 0.000 0.773 123 A CB 0.573 19.580 19.000 0.011 0.000 1.010 123 A HN 1.620 nan 8.150 nan 0.000 0.493 124 L N 2.547 123.807 121.223 0.062 0.000 2.500 124 L HA 0.325 4.665 4.340 -0.000 0.000 0.272 124 L C 0.090 176.923 176.870 -0.063 0.000 1.149 124 L CA 1.106 55.952 54.840 0.009 0.000 0.897 124 L CB 0.181 42.272 42.059 0.053 0.000 1.178 124 L HN 0.587 nan 8.230 nan 0.000 0.473 125 T N 5.266 119.765 114.554 -0.091 0.000 2.772 125 T HA 0.520 4.870 4.350 -0.000 0.000 0.288 125 T C -0.569 174.027 174.700 -0.173 0.000 0.994 125 T CA -0.382 61.648 62.100 -0.118 0.000 0.951 125 T CB 1.048 69.879 68.868 -0.062 0.000 0.933 125 T HN 0.341 nan 8.240 nan 0.000 0.447 126 V N 3.335 123.071 119.914 -0.297 0.000 2.350 126 V HA 0.634 4.754 4.120 -0.000 0.000 0.285 126 V C 0.835 176.836 176.094 -0.156 0.000 1.014 126 V CA -0.893 61.210 62.300 -0.329 0.000 0.831 126 V CB 1.485 32.874 31.823 -0.723 0.000 1.000 126 V HN 0.982 nan 8.190 nan 0.000 0.433 127 G N 3.378 112.147 108.800 -0.052 0.000 2.476 127 G HA2 0.564 4.523 3.960 -0.000 0.000 0.269 127 G HA3 0.564 4.523 3.960 -0.000 0.000 0.269 127 G C -0.813 174.128 174.900 0.068 0.000 1.195 127 G CA -0.330 44.783 45.100 0.022 0.000 0.843 127 G HN 0.580 nan 8.290 nan 0.000 0.545 128 V N 1.228 121.202 119.914 0.100 0.000 2.525 128 V HA 0.584 4.704 4.120 -0.000 0.000 0.299 128 V C -0.479 175.647 176.094 0.054 0.000 1.034 128 V CA -0.766 61.592 62.300 0.097 0.000 0.863 128 V CB 1.330 33.240 31.823 0.144 0.000 0.999 128 V HN 0.628 nan 8.190 nan 0.000 0.423 129 V N 4.516 124.447 119.914 0.029 0.000 2.925 129 V HA 0.824 4.944 4.120 -0.000 0.000 0.311 129 V C -0.056 176.031 176.094 -0.012 0.000 1.104 129 V CA -0.064 62.241 62.300 0.008 0.000 0.954 129 V CB 2.937 34.760 31.823 0.001 0.000 1.022 129 V HN 1.056 nan 8.190 nan 0.000 0.427 130 T N 3.750 118.287 114.554 -0.027 0.000 2.859 130 T HA 0.645 4.995 4.350 -0.000 0.000 0.281 130 T C -0.369 174.284 174.700 -0.079 0.000 1.005 130 T CA -0.773 61.290 62.100 -0.063 0.000 1.025 130 T CB 1.265 70.092 68.868 -0.068 0.000 0.977 130 T HN 0.716 nan 8.240 nan 0.000 0.458 131 R N 2.983 123.415 120.500 -0.114 0.000 2.254 131 R HA 0.406 4.746 4.340 -0.000 0.000 0.318 131 R C -2.342 173.841 176.300 -0.195 0.000 1.031 131 R CA -2.020 54.006 56.100 -0.122 0.000 0.905 131 R CB 0.873 31.105 30.300 -0.112 0.000 1.050 131 R HN 0.542 nan 8.270 nan 0.000 0.456 132 P HA -0.042 nan 4.420 nan 0.000 0.271 132 P C -0.470 176.667 177.300 -0.273 0.000 1.233 132 P CA -0.008 62.986 63.100 -0.176 0.000 0.789 132 P CB 0.441 32.105 31.700 -0.061 0.000 0.951 133 F N -0.072 119.690 119.950 -0.315 0.000 2.563 133 F HA -0.022 4.505 4.527 -0.000 0.000 0.363 133 F C 2.250 177.750 175.800 -0.499 0.000 1.123 133 F CA 0.630 58.297 58.000 -0.555 0.000 1.307 133 F CB -0.287 37.908 39.000 -1.342 0.000 1.115 133 F HN 0.253 nan 8.300 nan 0.000 0.592 134 S N 2.089 117.711 115.700 -0.130 0.000 2.383 134 S HA -0.233 4.236 4.470 -0.000 0.000 0.229 134 S C 1.802 176.391 174.600 -0.019 0.000 1.030 134 S CA 1.433 59.602 58.200 -0.052 0.000 1.002 134 S CB -0.539 62.672 63.200 0.018 0.000 0.829 134 S HN 0.675 nan 8.310 nan 0.000 0.467 135 F N 1.919 121.940 119.950 0.119 0.000 2.494 135 F HA 0.123 4.649 4.527 -0.000 0.000 0.298 135 F C 1.520 177.374 175.800 0.091 0.000 1.106 135 F CA 0.332 58.372 58.000 0.066 0.000 1.452 135 F CB -0.931 38.067 39.000 -0.002 0.000 1.085 135 F HN 0.164 nan 8.300 nan 0.000 0.569 136 E N 0.862 121.081 120.200 0.031 0.000 2.427 136 E HA 0.243 4.593 4.350 -0.000 0.000 0.196 136 E C 1.657 178.326 176.600 0.116 0.000 1.028 136 E CA 0.362 56.853 56.400 0.152 0.000 0.864 136 E CB -0.326 29.419 29.700 0.074 0.000 0.813 136 E HN 0.594 nan 8.360 nan 0.000 0.514 137 G N 1.896 110.744 108.800 0.080 0.000 2.593 137 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.237 137 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.237 137 G C -0.472 174.450 174.900 0.036 0.000 1.312 137 G CA -0.028 45.109 45.100 0.061 0.000 0.896 137 G HN 0.168 nan 8.290 nan 0.000 0.574 138 K N -0.094 120.324 120.400 0.031 0.000 2.565 138 K HA 0.493 4.813 4.320 -0.000 0.000 0.251 138 K C -0.405 176.205 176.600 0.018 0.000 0.956 138 K CA -0.850 55.448 56.287 0.018 0.000 0.809 138 K CB 1.024 33.531 32.500 0.012 0.000 1.267 138 K HN 0.607 nan 8.250 nan 0.000 0.438 139 R N 3.484 123.993 120.500 0.014 0.000 2.265 139 R HA 0.261 4.600 4.340 -0.000 0.000 0.319 139 R C 0.037 176.342 176.300 0.008 0.000 1.006 139 R CA -0.859 55.248 56.100 0.012 0.000 0.880 139 R CB 1.265 31.573 30.300 0.012 0.000 1.077 139 R HN 0.669 nan 8.270 nan 0.000 0.454 140 R N 0.973 121.478 120.500 0.008 0.000 2.577 140 R HA -0.249 4.090 4.340 -0.000 0.000 0.274 140 R C -0.011 176.290 176.300 0.003 0.000 0.977 140 R CA 1.840 57.943 56.100 0.005 0.000 1.087 140 R CB 0.175 30.479 30.300 0.005 0.000 0.898 140 R HN 0.910 nan 8.270 nan 0.000 0.429 141 S N 0.923 116.624 115.700 0.002 0.000 3.490 141 S HA -0.207 4.263 4.470 -0.000 0.000 0.301 141 S C 0.144 174.743 174.600 -0.002 0.000 1.233 141 S CA 0.934 59.134 58.200 -0.000 0.000 0.914 141 S CB -1.627 61.573 63.200 0.000 0.000 1.047 141 S HN 0.947 nan 8.310 nan 0.000 0.602 142 N N 0.314 119.013 118.700 -0.002 0.000 2.710 142 N HA -0.265 4.474 4.740 -0.000 0.000 0.249 142 N C 0.956 176.463 175.510 -0.005 0.000 1.059 142 N CA 1.527 54.575 53.050 -0.004 0.000 0.720 142 N CB -1.020 37.463 38.487 -0.006 0.000 0.983 142 N HN 1.003 nan 8.380 nan 0.000 0.544 143 Q N -1.321 118.477 119.800 -0.003 0.000 2.226 143 Q HA -0.068 4.272 4.340 -0.000 0.000 0.204 143 Q C 1.833 177.830 176.000 -0.006 0.000 0.975 143 Q CA 1.676 57.477 55.803 -0.003 0.000 0.866 143 Q CB -0.156 28.581 28.738 -0.001 0.000 0.915 143 Q HN 0.461 nan 8.270 nan 0.000 0.440 144 A N 1.354 124.169 122.820 -0.008 0.000 1.855 144 A HA -0.213 4.106 4.320 -0.000 0.000 0.215 144 A C 2.033 179.607 177.584 -0.016 0.000 1.191 144 A CA 1.497 53.526 52.037 -0.013 0.000 0.613 144 A CB -0.653 18.337 19.000 -0.017 0.000 0.829 144 A HN 0.494 nan 8.150 nan 0.000 0.442 145 E N 0.774 120.964 120.200 -0.017 0.000 2.153 145 E HA -0.178 4.171 4.350 -0.000 0.000 0.194 145 E C 1.651 178.242 176.600 -0.014 0.000 0.988 145 E CA 1.704 58.093 56.400 -0.018 0.000 0.811 145 E CB -0.284 29.405 29.700 -0.018 0.000 0.746 145 E HN 0.563 nan 8.360 nan 0.000 0.466 146 N N -0.047 118.646 118.700 -0.011 0.000 2.188 146 N HA -0.081 4.659 4.740 -0.000 0.000 0.184 146 N C 1.767 177.273 175.510 -0.008 0.000 1.018 146 N CA 1.301 54.346 53.050 -0.009 0.000 0.858 146 N CB -0.822 37.662 38.487 -0.006 0.000 0.989 146 N HN 0.346 nan 8.380 nan 0.000 0.426 147 G N 1.401 110.197 108.800 -0.007 0.000 2.418 147 G HA2 -0.169 3.790 3.960 -0.000 0.000 0.217 147 G HA3 -0.169 3.790 3.960 -0.000 0.000 0.217 147 G C 1.675 176.571 174.900 -0.006 0.000 1.158 147 G CA 0.406 45.503 45.100 -0.005 0.000 0.771 147 G HN 0.256 nan 8.290 nan 0.000 0.545 148 I N 1.377 121.941 120.570 -0.010 0.000 2.179 148 I HA -0.188 3.982 4.170 -0.000 0.000 0.242 148 I C 3.314 179.425 176.117 -0.011 0.000 1.088 148 I CA 1.041 62.334 61.300 -0.011 0.000 1.357 148 I CB -0.233 37.757 38.000 -0.017 0.000 1.051 148 I HN 0.246 nan 8.210 nan 0.000 0.409 149 A N 0.673 123.486 122.820 -0.012 0.000 1.908 149 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 149 A C 2.520 180.098 177.584 -0.009 0.000 1.181 149 A CA 2.019 54.049 52.037 -0.012 0.000 0.627 149 A CB -0.875 18.117 19.000 -0.013 0.000 0.818 149 A HN 0.452 nan 8.150 nan 0.000 0.445 150 A N -0.858 121.958 122.820 -0.007 0.000 1.898 150 A HA 0.020 4.340 4.320 -0.000 0.000 0.216 150 A C 2.109 179.690 177.584 -0.005 0.000 1.181 150 A CA 1.688 53.722 52.037 -0.005 0.000 0.620 150 A CB -0.545 18.452 19.000 -0.004 0.000 0.819 150 A HN 0.569 nan 8.150 nan 0.000 0.442 151 L N -0.254 120.967 121.223 -0.004 0.000 2.056 151 L HA -0.033 4.306 4.340 -0.000 0.000 0.207 151 L C 2.400 179.266 176.870 -0.007 0.000 1.078 151 L CA 1.957 56.796 54.840 -0.003 0.000 0.749 151 L CB -0.714 41.346 42.059 0.001 0.000 0.901 151 L HN 0.431 nan 8.230 nan 0.000 0.433 152 R N -0.346 120.149 120.500 -0.008 0.000 2.091 152 R HA -0.177 4.163 4.340 -0.000 0.000 0.238 152 R C 2.052 178.346 176.300 -0.011 0.000 1.136 152 R CA 1.748 57.842 56.100 -0.010 0.000 0.959 152 R CB -0.144 30.149 30.300 -0.011 0.000 0.856 152 R HN 0.517 nan 8.270 nan 0.000 0.437 153 E N -0.509 119.685 120.200 -0.010 0.000 2.265 153 E HA -0.108 4.242 4.350 -0.000 0.000 0.196 153 E C 1.305 177.899 176.600 -0.009 0.000 0.996 153 E CA 1.316 57.711 56.400 -0.009 0.000 0.832 153 E CB 0.174 29.869 29.700 -0.008 0.000 0.756 153 E HN 0.323 nan 8.360 nan 0.000 0.491 154 S N -0.487 115.207 115.700 -0.010 0.000 2.523 154 S HA 0.107 4.577 4.470 -0.000 0.000 0.217 154 S C 0.445 175.036 174.600 -0.016 0.000 0.996 154 S CA -0.330 57.864 58.200 -0.010 0.000 0.921 154 S CB 0.501 63.697 63.200 -0.006 0.000 0.829 154 S HN 0.123 nan 8.310 nan 0.000 0.495 155 C N 2.097 121.385 119.300 -0.020 0.000 2.397 155 C HA 0.410 4.869 4.460 -0.000 0.000 0.343 155 C C 1.534 176.503 174.990 -0.036 0.000 1.188 155 C CA -0.804 58.194 59.018 -0.032 0.000 1.992 155 C CB 1.266 28.986 27.740 -0.034 0.000 2.358 155 C HN 0.427 nan 8.230 nan 0.000 0.518 156 D N 0.599 120.968 120.400 -0.051 0.000 2.084 156 D HA -0.035 4.604 4.640 -0.000 0.000 0.196 156 D C 0.458 176.728 176.300 -0.050 0.000 0.985 156 D CA 1.570 55.539 54.000 -0.052 0.000 0.826 156 D CB 0.186 40.946 40.800 -0.068 0.000 0.978 156 D HN 0.541 nan 8.370 nan 0.000 0.456 157 T N 0.475 114.989 114.554 -0.065 0.000 2.861 157 T HA 0.449 4.799 4.350 -0.000 0.000 0.287 157 T C -0.897 173.777 174.700 -0.044 0.000 1.003 157 T CA -0.579 61.489 62.100 -0.052 0.000 0.977 157 T CB 2.336 71.165 68.868 -0.065 0.000 0.996 157 T HN -0.140 nan 8.240 nan 0.000 0.448 158 L N 4.703 125.913 121.223 -0.021 0.000 2.316 158 L HA 0.613 4.953 4.340 -0.000 0.000 0.280 158 L C -0.958 175.915 176.870 0.006 0.000 1.006 158 L CA -0.506 54.329 54.840 -0.008 0.000 0.836 158 L CB 0.462 42.517 42.059 -0.007 0.000 1.221 158 L HN 0.632 nan 8.230 nan 0.000 0.418 159 I N 5.796 126.380 120.570 0.023 0.000 2.396 159 I HA 0.261 4.431 4.170 -0.000 0.000 0.289 159 I C -0.426 175.705 176.117 0.023 0.000 1.056 159 I CA -0.382 60.938 61.300 0.034 0.000 1.365 159 I CB 1.096 39.138 38.000 0.070 0.000 1.407 159 I HN 0.275 nan 8.210 nan 0.000 0.509 160 V N 8.132 128.051 119.914 0.009 0.000 2.417 160 V HA 0.403 4.523 4.120 -0.000 0.000 0.291 160 V C 0.094 176.178 176.094 -0.016 0.000 1.024 160 V CA -0.474 61.821 62.300 -0.007 0.000 0.861 160 V CB 1.748 33.562 31.823 -0.015 0.000 0.985 160 V HN 0.468 nan 8.190 nan 0.000 0.436 161 I N 7.595 128.147 120.570 -0.030 0.000 2.371 161 I HA 0.325 4.495 4.170 -0.000 0.000 0.282 161 I C -2.268 173.793 176.117 -0.093 0.000 1.031 161 I CA -1.853 59.418 61.300 -0.048 0.000 1.180 161 I CB 2.107 40.082 38.000 -0.042 0.000 1.336 161 I HN 0.419 nan 8.210 nan 0.000 0.467 162 P HA 0.164 nan 4.420 nan 0.000 0.273 162 P C -0.126 177.053 177.300 -0.202 0.000 1.428 162 P CA -0.231 62.791 63.100 -0.130 0.000 0.995 162 P CB 0.610 32.262 31.700 -0.079 0.000 1.286 163 N N 2.512 120.990 118.700 -0.370 0.000 2.192 163 N HA -0.166 4.573 4.740 -0.000 0.000 0.188 163 N C 1.055 176.247 175.510 -0.529 0.000 1.013 163 N CA 1.303 53.942 53.050 -0.685 0.000 0.863 163 N CB -0.445 37.164 38.487 -1.464 0.000 0.990 163 N HN 0.378 nan 8.380 nan 0.000 0.430 164 D N 0.573 120.798 120.400 -0.291 0.000 2.172 164 D HA -0.146 4.494 4.640 -0.000 0.000 0.196 164 D C 1.788 178.125 176.300 0.060 0.000 0.999 164 D CA 0.789 54.796 54.000 0.012 0.000 0.856 164 D CB -0.040 40.763 40.800 0.005 0.000 0.934 164 D HN 0.160 nan 8.370 nan 0.000 0.453 165 R N 0.198 120.694 120.500 -0.007 0.000 2.189 165 R HA 0.007 4.347 4.340 -0.000 0.000 0.223 165 R C 2.394 178.726 176.300 0.052 0.000 1.092 165 R CA 0.099 56.211 56.100 0.020 0.000 0.989 165 R CB -0.746 29.551 30.300 -0.005 0.000 0.876 165 R HN 0.353 nan 8.270 nan 0.000 0.457 166 L N 0.410 121.678 121.223 0.076 0.000 2.265 166 L HA -0.122 4.217 4.340 -0.000 0.000 0.215 166 L C 2.071 179.031 176.870 0.150 0.000 1.117 166 L CA 0.875 55.792 54.840 0.128 0.000 0.782 166 L CB -0.464 41.714 42.059 0.198 0.000 0.914 166 L HN 0.090 nan 8.230 nan 0.000 0.441 167 L N -0.727 120.603 121.223 0.179 0.000 2.465 167 L HA -0.139 4.201 4.340 -0.000 0.000 0.224 167 L C 1.723 178.637 176.870 0.073 0.000 1.145 167 L CA 0.724 55.639 54.840 0.126 0.000 0.834 167 L CB -0.366 41.779 42.059 0.144 0.000 0.944 167 L HN 0.383 nan 8.230 nan 0.000 0.451 168 Q N -0.439 119.401 119.800 0.066 0.000 2.280 168 Q HA 0.216 4.556 4.340 -0.000 0.000 0.202 168 Q C 0.026 176.049 176.000 0.038 0.000 0.903 168 Q CA 0.061 55.891 55.803 0.044 0.000 0.948 168 Q CB 0.424 29.185 28.738 0.038 0.000 1.058 168 Q HN 0.438 nan 8.270 nan 0.000 0.493 169 M N 0.559 120.185 119.600 0.044 0.000 2.149 169 M HA 0.496 4.976 4.480 -0.000 0.000 0.342 169 M C 0.113 176.433 176.300 0.032 0.000 1.068 169 M CA -0.245 55.078 55.300 0.038 0.000 0.991 169 M CB 1.844 34.471 32.600 0.044 0.000 1.596 169 M HN 0.279 nan 8.290 nan 0.000 0.439 175 S N 4.108 119.752 115.700 -0.094 0.000 2.645 175 S HA 0.555 5.025 4.470 -0.000 0.000 0.266 175 S C 0.867 175.335 174.600 -0.220 0.000 1.258 175 S CA -0.108 58.011 58.200 -0.134 0.000 0.990 175 S CB 1.504 64.650 63.200 -0.090 0.000 0.967 175 S HN 0.877 nan 8.310 nan 0.000 0.556 176 L N 1.236 122.290 121.223 -0.280 0.000 2.017 176 L HA 0.042 4.381 4.340 -0.000 0.000 0.208 176 L C 2.342 179.003 176.870 -0.349 0.000 1.073 176 L CA 2.022 56.589 54.840 -0.456 0.000 0.745 176 L CB -1.106 40.708 42.059 -0.408 0.000 0.894 176 L HN 0.837 nan 8.230 nan 0.000 0.432 177 M N -0.664 118.871 119.600 -0.108 0.000 2.132 177 M HA -0.168 4.312 4.480 -0.000 0.000 0.263 177 M C 1.878 178.198 176.300 0.032 0.000 1.065 177 M CA 1.435 56.765 55.300 0.049 0.000 1.122 177 M CB -0.768 31.860 32.600 0.047 0.000 1.365 177 M HN 0.183 nan 8.290 nan 0.000 0.411 178 D N 0.139 120.522 120.400 -0.029 0.000 2.117 178 D HA -0.111 4.529 4.640 -0.000 0.000 0.197 178 D C 2.055 178.358 176.300 0.004 0.000 0.987 178 D CA 1.720 55.718 54.000 -0.004 0.000 0.829 178 D CB -0.279 40.507 40.800 -0.022 0.000 0.961 178 D HN 0.357 nan 8.370 nan 0.000 0.460 179 A N 0.451 123.202 122.820 -0.116 0.000 1.865 179 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 179 A C 2.238 179.869 177.584 0.078 0.000 1.191 179 A CA 1.246 53.202 52.037 -0.136 0.000 0.623 179 A CB -1.211 17.433 19.000 -0.593 0.000 0.826 179 A HN 0.232 nan 8.150 nan 0.000 0.444 180 F N -0.582 119.430 119.950 0.103 0.000 2.186 180 F HA -0.148 4.379 4.527 -0.001 0.000 0.299 180 F C 2.751 178.644 175.800 0.155 0.000 1.090 180 F CA 1.215 59.332 58.000 0.194 0.000 1.307 180 F CB -0.142 38.928 39.000 0.116 0.000 1.019 180 F HN 0.119 nan 8.300 nan 0.000 0.489 181 R N -0.166 120.502 120.500 0.280 0.000 2.092 181 R HA -0.105 4.235 4.340 -0.000 0.000 0.231 181 R C 2.311 178.702 176.300 0.152 0.000 1.119 181 R CA 1.452 57.658 56.100 0.176 0.000 0.970 181 R CB -0.576 29.793 30.300 0.116 0.000 0.864 181 R HN 0.151 nan 8.270 nan 0.000 0.440 182 S N 0.919 116.713 115.700 0.157 0.000 2.368 182 S HA -0.156 4.314 4.470 -0.000 0.000 0.225 182 S C 2.092 176.782 174.600 0.149 0.000 1.030 182 S CA 1.276 59.557 58.200 0.135 0.000 0.999 182 S CB -0.183 63.098 63.200 0.136 0.000 0.844 182 S HN 0.473 nan 8.310 nan 0.000 0.459 183 A N 2.195 125.153 122.820 0.230 0.000 1.883 183 A HA -0.189 4.130 4.320 -0.000 0.000 0.217 183 A C 1.856 179.510 177.584 0.117 0.000 1.186 183 A CA 1.814 53.955 52.037 0.173 0.000 0.624 183 A CB -0.795 18.364 19.000 0.265 0.000 0.822 183 A HN 0.362 nan 8.150 nan 0.000 0.444 184 D N -0.345 120.139 120.400 0.139 0.000 2.123 184 D HA -0.147 4.493 4.640 -0.000 0.000 0.196 184 D C 1.932 178.266 176.300 0.056 0.000 0.992 184 D CA 1.575 55.626 54.000 0.085 0.000 0.833 184 D CB -0.408 40.441 40.800 0.082 0.000 0.954 184 D HN 0.665 nan 8.370 nan 0.000 0.455 185 E N 0.118 120.356 120.200 0.063 0.000 2.077 185 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 185 E C 2.351 178.970 176.600 0.033 0.000 0.989 185 E CA 1.147 57.572 56.400 0.042 0.000 0.800 185 E CB 0.085 29.813 29.700 0.047 0.000 0.746 185 E HN 0.272 nan 8.360 nan 0.000 0.452 186 V N -0.282 119.656 119.914 0.039 0.000 2.453 186 V HA -0.149 3.971 4.120 -0.000 0.000 0.247 186 V C 2.258 178.363 176.094 0.019 0.000 1.048 186 V CA 1.111 63.427 62.300 0.027 0.000 1.049 186 V CB -0.566 31.272 31.823 0.025 0.000 0.672 186 V HN 0.144 nan 8.190 nan 0.000 0.457 187 L N 0.492 121.727 121.223 0.021 0.000 2.012 187 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 187 L C 2.321 179.197 176.870 0.010 0.000 1.073 187 L CA 2.624 57.474 54.840 0.017 0.000 0.748 187 L CB -0.850 41.221 42.059 0.020 0.000 0.891 187 L HN 0.463 nan 8.230 nan 0.000 0.431 188 L N 0.040 121.267 121.223 0.006 0.000 2.012 188 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 188 L C 2.330 179.190 176.870 -0.017 0.000 1.073 188 L CA 2.084 56.919 54.840 -0.008 0.000 0.748 188 L CB -1.365 40.691 42.059 -0.005 0.000 0.891 188 L HN 0.443 nan 8.230 nan 0.000 0.431 189 N N 0.331 119.028 118.700 -0.004 0.000 2.192 189 N HA -0.173 4.566 4.740 -0.000 0.000 0.188 189 N C 1.846 177.355 175.510 -0.002 0.000 1.013 189 N CA 1.380 54.428 53.050 -0.004 0.000 0.863 189 N CB -0.519 37.972 38.487 0.008 0.000 0.990 189 N HN 0.611 nan 8.380 nan 0.000 0.430 190 G N -0.113 108.693 108.800 0.010 0.000 2.485 190 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.221 190 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.221 190 G C 1.603 176.521 174.900 0.031 0.000 1.115 190 G CA 1.130 46.253 45.100 0.039 0.000 0.751 190 G HN 0.291 nan 8.290 nan 0.000 0.567 191 V N -0.703 119.154 119.914 -0.096 0.000 2.743 191 V HA 0.022 4.142 4.120 -0.000 0.000 0.237 191 V C 2.455 178.379 176.094 -0.284 0.000 1.113 191 V CA 1.375 63.448 62.300 -0.379 0.000 1.141 191 V CB -0.054 31.496 31.823 -0.456 0.000 0.873 191 V HN 0.418 nan 8.190 nan 0.000 0.486 192 Q N 0.675 120.387 119.800 -0.146 0.000 2.124 192 Q HA -0.136 4.203 4.340 -0.000 0.000 0.202 192 Q C 2.106 178.075 176.000 -0.052 0.000 0.977 192 Q CA 2.029 57.778 55.803 -0.091 0.000 0.850 192 Q CB -0.409 28.304 28.738 -0.043 0.000 0.901 192 Q HN 0.638 nan 8.270 nan 0.000 0.429 193 G N 0.936 109.719 108.800 -0.028 0.000 2.418 193 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.217 193 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.217 193 G C 1.363 176.267 174.900 0.008 0.000 1.158 193 G CA 0.936 46.031 45.100 -0.008 0.000 0.771 193 G HN 0.369 nan 8.290 nan 0.000 0.545 194 I N 1.289 121.885 120.570 0.043 0.000 2.233 194 I HA -0.115 4.055 4.170 -0.000 0.000 0.243 194 I C 3.220 179.397 176.117 0.100 0.000 1.093 194 I CA 1.672 63.039 61.300 0.112 0.000 1.380 194 I CB -0.540 37.625 38.000 0.275 0.000 1.067 194 I HN 0.303 nan 8.210 nan 0.000 0.413 195 T N -2.138 112.432 114.554 0.026 0.000 2.821 195 T HA -0.152 4.198 4.350 -0.000 0.000 0.267 195 T C 1.545 176.247 174.700 0.003 0.000 1.046 195 T CA 1.332 63.440 62.100 0.014 0.000 1.139 195 T CB -0.424 68.375 68.868 -0.114 0.000 0.871 195 T HN 0.148 nan 8.240 nan 0.000 0.454 196 D N 1.210 121.601 120.400 -0.016 0.000 2.117 196 D HA -0.014 4.626 4.640 -0.000 0.000 0.197 196 D C 1.995 178.290 176.300 -0.008 0.000 0.987 196 D CA 0.605 54.596 54.000 -0.015 0.000 0.829 196 D CB -0.568 40.219 40.800 -0.021 0.000 0.961 196 D HN 0.283 nan 8.370 nan 0.000 0.460 197 L N 0.653 121.872 121.223 -0.005 0.000 2.043 197 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 197 L C 1.993 178.873 176.870 0.017 0.000 1.075 197 L CA 1.538 56.370 54.840 -0.013 0.000 0.752 197 L CB -0.400 41.649 42.059 -0.016 0.000 0.891 197 L HN 0.037 nan 8.230 nan 0.000 0.432 198 I N -1.345 119.257 120.570 0.054 0.000 2.333 198 I HA -0.180 3.989 4.170 -0.000 0.000 0.246 198 I C 2.146 178.287 176.117 0.040 0.000 1.106 198 I CA 1.468 62.819 61.300 0.084 0.000 1.411 198 I CB -0.525 37.569 38.000 0.157 0.000 1.082 198 I HN 0.451 nan 8.210 nan 0.000 0.420 199 T N -3.838 110.725 114.554 0.015 0.000 3.037 199 T HA 0.111 4.461 4.350 -0.000 0.000 0.252 199 T C 0.816 175.510 174.700 -0.010 0.000 1.073 199 T CA 0.123 62.218 62.100 -0.009 0.000 1.091 199 T CB -0.130 68.721 68.868 -0.028 0.000 0.935 199 T HN 0.003 nan 8.240 nan 0.000 0.488 200 T N 4.097 118.647 114.554 -0.007 0.000 2.779 200 T HA 0.532 4.882 4.350 -0.000 0.000 0.280 200 T C -2.838 171.858 174.700 -0.007 0.000 0.987 200 T CA -1.265 60.830 62.100 -0.008 0.000 0.966 200 T CB 1.604 70.466 68.868 -0.011 0.000 0.933 200 T HN 0.055 nan 8.240 nan 0.000 0.442 201 P HA 0.376 nan 4.420 nan 0.000 0.265 201 P C 0.050 177.348 177.300 -0.003 0.000 1.193 201 P CA 0.143 63.243 63.100 -0.000 0.000 0.765 201 P CB 0.583 32.285 31.700 0.003 0.000 0.823 202 G N 0.995 109.793 108.800 -0.003 0.000 2.949 202 G HA2 0.316 4.276 3.960 -0.000 0.000 0.285 202 G HA3 0.316 4.276 3.960 -0.000 0.000 0.285 202 G C 0.092 174.998 174.900 0.010 0.000 1.395 202 G CA -0.636 44.462 45.100 -0.003 0.000 0.901 202 G HN 0.478 nan 8.290 nan 0.000 0.519 203 L N -0.465 120.770 121.223 0.019 0.000 2.046 203 L HA 0.213 4.553 4.340 -0.000 0.000 0.208 203 L C 0.647 177.545 176.870 0.046 0.000 1.077 203 L CA 1.460 56.322 54.840 0.036 0.000 0.747 203 L CB -0.264 41.825 42.059 0.050 0.000 0.896 203 L HN 0.293 nan 8.230 nan 0.000 0.432 204 I N 1.411 122.008 120.570 0.045 0.000 2.354 204 I HA 0.298 4.468 4.170 -0.000 0.000 0.286 204 I C -0.523 175.607 176.117 0.022 0.000 1.007 204 I CA -0.460 60.879 61.300 0.066 0.000 1.167 204 I CB 0.498 38.588 38.000 0.150 0.000 1.320 204 I HN 0.170 nan 8.210 nan 0.000 0.458 205 N N 5.001 123.720 118.700 0.032 0.000 2.459 205 N HA 0.668 5.407 4.740 -0.000 0.000 0.288 205 N C -0.328 175.202 175.510 0.033 0.000 1.186 205 N CA -0.373 52.690 53.050 0.021 0.000 0.917 205 N CB 3.136 41.638 38.487 0.024 0.000 1.219 205 N HN 0.411 nan 8.380 nan 0.000 0.525 206 V N -2.203 117.731 119.914 0.032 0.000 3.046 206 V HA 0.543 4.663 4.120 -0.000 0.000 0.316 206 V C -0.468 175.660 176.094 0.058 0.000 1.104 206 V CA -0.898 61.426 62.300 0.041 0.000 1.006 206 V CB 2.081 33.922 31.823 0.030 0.000 1.058 206 V HN 0.481 nan 8.190 nan 0.000 0.440 207 D N 0.755 121.187 120.400 0.053 0.000 2.274 207 D HA 0.273 4.913 4.640 -0.000 0.000 0.239 207 D C 0.482 176.832 176.300 0.082 0.000 1.104 207 D CA -0.624 53.418 54.000 0.070 0.000 0.840 207 D CB 1.343 42.167 40.800 0.040 0.000 1.100 207 D HN 0.582 nan 8.370 nan 0.000 0.477 208 F N 4.322 124.274 119.950 0.003 0.000 2.192 208 F HA -0.215 4.311 4.527 -0.000 0.000 0.301 208 F C 1.905 177.704 175.800 -0.002 0.000 1.079 208 F CA 1.912 59.913 58.000 0.001 0.000 1.303 208 F CB -0.055 38.945 39.000 0.000 0.000 1.024 208 F HN 0.486 nan 8.300 nan 0.000 0.494 209 A N -0.118 122.656 122.820 -0.077 0.000 1.978 209 A HA -0.202 4.117 4.320 -0.000 0.000 0.220 209 A C 1.980 179.442 177.584 -0.204 0.000 1.170 209 A CA 2.001 53.945 52.037 -0.155 0.000 0.636 209 A CB -0.865 18.122 19.000 -0.021 0.000 0.810 209 A HN 0.459 nan 8.150 nan 0.000 0.448 210 D N -0.349 119.966 120.400 -0.142 0.000 2.149 210 D HA -0.059 4.580 4.640 -0.000 0.000 0.201 210 D C 2.104 178.304 176.300 -0.165 0.000 0.972 210 D CA 1.240 55.171 54.000 -0.115 0.000 0.835 210 D CB -0.412 40.357 40.800 -0.052 0.000 0.966 210 D HN 0.231 nan 8.370 nan 0.000 0.476 211 V N 1.255 121.031 119.914 -0.230 0.000 2.287 211 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 211 V C 2.480 178.365 176.094 -0.348 0.000 1.053 211 V CA 1.651 63.796 62.300 -0.259 0.000 1.027 211 V CB -0.435 31.230 31.823 -0.263 0.000 0.646 211 V HN 0.151 nan 8.190 nan 0.000 0.447 212 K N 0.070 120.126 120.400 -0.574 0.000 2.097 212 K HA -0.134 4.186 4.320 -0.000 0.000 0.206 212 K C 2.182 178.639 176.600 -0.239 0.000 1.049 212 K CA 1.415 57.430 56.287 -0.454 0.000 0.933 212 K CB -0.563 31.610 32.500 -0.545 0.000 0.717 212 K HN 0.519 nan 8.250 nan 0.000 0.442 213 G N 1.699 110.379 108.800 -0.202 0.000 2.446 213 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.217 213 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.217 213 G C 1.475 176.315 174.900 -0.101 0.000 1.168 213 G CA 1.283 46.309 45.100 -0.123 0.000 0.771 213 G HN 0.514 nan 8.290 nan 0.000 0.551 214 I N -2.699 117.810 120.570 -0.102 0.000 2.716 214 I HA 0.243 4.413 4.170 -0.000 0.000 0.259 214 I C 2.431 178.503 176.117 -0.074 0.000 1.172 214 I CA 0.987 62.243 61.300 -0.074 0.000 1.478 214 I CB -0.021 37.947 38.000 -0.055 0.000 1.104 214 I HN 0.056 nan 8.210 nan 0.000 0.439 215 M N 0.486 120.026 119.600 -0.100 0.000 2.510 215 M HA 0.168 4.648 4.480 -0.000 0.000 0.256 215 M C 0.726 176.974 176.300 -0.086 0.000 1.132 215 M CA 0.086 55.332 55.300 -0.091 0.000 1.105 215 M CB 0.062 32.596 32.600 -0.110 0.000 1.375 215 M HN 0.077 nan 8.290 nan 0.000 0.477 216 S N 1.125 116.770 115.700 -0.092 0.000 2.516 216 S HA 0.271 4.741 4.470 -0.000 0.000 0.282 216 S C 1.148 175.716 174.600 -0.053 0.000 1.286 216 S CA 0.387 58.544 58.200 -0.073 0.000 1.066 216 S CB 0.419 63.575 63.200 -0.072 0.000 0.884 216 S HN 0.724 nan 8.310 nan 0.000 0.491 217 G N 2.536 111.311 108.800 -0.043 0.000 2.269 217 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.277 217 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.277 217 G C 0.862 175.748 174.900 -0.024 0.000 1.008 217 G CA 0.480 45.563 45.100 -0.030 0.000 0.774 217 G HN 0.987 nan 8.290 nan 0.000 0.511 218 A N -1.072 121.730 122.820 -0.030 0.000 2.014 218 A HA 0.505 4.825 4.320 -0.000 0.000 0.218 218 A C 2.662 180.246 177.584 -0.001 0.000 1.163 218 A CA 2.010 54.035 52.037 -0.019 0.000 0.652 218 A CB -0.402 18.581 19.000 -0.028 0.000 0.808 218 A HN 2.624 nan 8.150 nan 0.000 0.449 219 G N -1.574 107.223 108.800 -0.007 0.000 2.498 219 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.251 219 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.251 219 G C 0.169 175.069 174.900 0.000 0.000 1.170 219 G CA -0.020 45.081 45.100 0.001 0.000 0.944 219 G HN 0.787 nan 8.290 nan 0.000 0.567 220 T N 1.677 116.236 114.554 0.007 0.000 2.901 220 T HA 0.593 4.942 4.350 -0.000 0.000 0.301 220 T C 0.616 175.323 174.700 0.012 0.000 1.012 220 T CA 1.062 63.165 62.100 0.005 0.000 1.135 220 T CB 1.011 69.879 68.868 0.000 0.000 0.936 220 T HN 1.756 nan 8.240 nan 0.000 0.539 221 A N 3.483 126.309 122.820 0.010 0.000 2.413 221 A HA 0.869 5.189 4.320 -0.000 0.000 0.307 221 A C -0.948 176.647 177.584 0.017 0.000 1.087 221 A CA -0.790 51.256 52.037 0.016 0.000 0.750 221 A CB 1.119 20.129 19.000 0.016 0.000 1.296 221 A HN 0.774 nan 8.150 nan 0.000 0.423 222 L N 1.002 122.237 121.223 0.020 0.000 2.301 222 L HA 0.713 5.053 4.340 -0.000 0.000 0.264 222 L C -0.150 176.735 176.870 0.024 0.000 1.016 222 L CA -0.525 54.326 54.840 0.018 0.000 0.821 222 L CB 2.165 44.232 42.059 0.014 0.000 1.346 222 L HN 0.869 nan 8.230 nan 0.000 0.429 223 M N 0.172 119.785 119.600 0.022 0.000 2.602 223 M HA 0.751 5.231 4.480 -0.000 0.000 0.312 223 M C -0.840 175.474 176.300 0.022 0.000 1.181 223 M CA -0.351 54.965 55.300 0.026 0.000 0.910 223 M CB 2.315 34.932 32.600 0.029 0.000 1.723 223 M HN 0.606 nan 8.290 nan 0.000 0.459 224 G N 4.010 112.825 108.800 0.025 0.000 2.524 224 G HA2 0.735 4.695 3.960 -0.000 0.000 0.310 224 G HA3 0.735 4.695 3.960 -0.000 0.000 0.310 224 G C -1.566 173.348 174.900 0.024 0.000 1.279 224 G CA -0.547 44.568 45.100 0.024 0.000 0.974 224 G HN 0.604 nan 8.290 nan 0.000 0.484 225 I N 0.243 120.827 120.570 0.023 0.000 2.730 225 I HA 0.772 4.942 4.170 -0.000 0.000 0.298 225 I C 0.316 176.446 176.117 0.023 0.000 1.089 225 I CA -0.745 60.568 61.300 0.022 0.000 1.041 225 I CB 1.695 39.707 38.000 0.021 0.000 1.235 225 I HN 0.743 nan 8.210 nan 0.000 0.423 226 G N 2.204 111.017 108.800 0.022 0.000 2.733 226 G HA2 0.666 4.626 3.960 -0.000 0.000 0.297 226 G HA3 0.666 4.626 3.960 -0.000 0.000 0.297 226 G C -1.644 173.268 174.900 0.021 0.000 1.422 226 G CA -0.322 44.792 45.100 0.023 0.000 0.942 226 G HN 0.489 nan 8.290 nan 0.000 0.510 227 S N -1.084 114.628 115.700 0.021 0.000 2.549 227 S HA 0.947 5.417 4.470 -0.000 0.000 0.280 227 S C -0.292 174.320 174.600 0.021 0.000 1.109 227 S CA -0.113 58.099 58.200 0.020 0.000 0.905 227 S CB 1.949 65.160 63.200 0.018 0.000 1.081 227 S HN 1.781 nan 8.310 nan 0.000 0.477 228 A N 2.055 124.888 122.820 0.021 0.000 2.610 228 A HA 0.862 5.182 4.320 -0.000 0.000 0.291 228 A C -1.284 176.314 177.584 0.022 0.000 1.086 228 A CA -0.876 51.175 52.037 0.022 0.000 0.677 228 A CB 1.409 20.424 19.000 0.024 0.000 1.278 228 A HN 0.707 nan 8.150 nan 0.000 0.414 229 R N -0.433 120.080 120.500 0.022 0.000 2.867 229 R HA 0.761 5.101 4.340 -0.000 0.000 0.268 229 R C 0.371 176.685 176.300 0.023 0.000 1.014 229 R CA 0.015 56.128 56.100 0.022 0.000 0.946 229 R CB 2.005 32.316 30.300 0.018 0.000 1.208 229 R HN 2.359 nan 8.270 nan 0.000 0.477 230 G N 1.022 109.836 108.800 0.024 0.000 2.632 230 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.224 230 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.224 230 G C -0.617 174.301 174.900 0.031 0.000 1.341 230 G CA -0.321 44.794 45.100 0.025 0.000 0.880 230 G HN 0.666 nan 8.290 nan 0.000 0.566 231 E N 0.957 121.175 120.200 0.031 0.000 2.414 231 E HA 0.380 4.730 4.350 -0.000 0.000 0.263 231 E C 1.498 178.123 176.600 0.042 0.000 1.000 231 E CA 1.138 57.561 56.400 0.038 0.000 0.914 231 E CB -0.157 29.563 29.700 0.034 0.000 0.948 231 E HN 2.354 nan 8.360 nan 0.000 0.444 232 G N 4.251 113.083 108.800 0.054 0.000 2.155 232 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.257 232 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.257 232 G C 0.975 175.900 174.900 0.042 0.000 0.983 232 G CA 0.792 45.923 45.100 0.052 0.000 0.676 232 G HN 0.770 nan 8.290 nan 0.000 0.528 233 R N 0.197 120.722 120.500 0.041 0.000 2.105 233 R HA -0.048 4.292 4.340 -0.000 0.000 0.239 233 R C 2.208 178.530 176.300 0.037 0.000 1.135 233 R CA 2.047 58.168 56.100 0.036 0.000 0.967 233 R CB -0.816 29.505 30.300 0.034 0.000 0.861 233 R HN 0.323 nan 8.270 nan 0.000 0.442 234 S N 1.409 117.135 115.700 0.043 0.000 2.355 234 S HA -0.009 4.461 4.470 -0.000 0.000 0.222 234 S C 2.004 176.628 174.600 0.039 0.000 1.031 234 S CA 1.077 59.305 58.200 0.046 0.000 0.993 234 S CB -0.232 63.000 63.200 0.053 0.000 0.859 234 S HN 0.243 nan 8.310 nan 0.000 0.453 235 L N 1.240 122.479 121.223 0.026 0.000 2.046 235 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 235 L C 2.419 179.302 176.870 0.022 0.000 1.077 235 L CA 1.122 55.971 54.840 0.015 0.000 0.747 235 L CB -0.303 41.760 42.059 0.006 0.000 0.896 235 L HN 0.223 nan 8.230 nan 0.000 0.432 236 K N -0.185 120.230 120.400 0.025 0.000 2.025 236 K HA -0.105 4.215 4.320 -0.000 0.000 0.207 236 K C 2.088 178.704 176.600 0.026 0.000 1.049 236 K CA 1.457 57.759 56.287 0.024 0.000 0.933 236 K CB -0.452 32.062 32.500 0.025 0.000 0.714 236 K HN 0.276 nan 8.250 nan 0.000 0.438 237 A N 1.543 124.380 122.820 0.029 0.000 1.930 237 A HA -0.029 4.291 4.320 -0.000 0.000 0.217 237 A C 2.422 180.026 177.584 0.034 0.000 1.175 237 A CA 1.858 53.912 52.037 0.030 0.000 0.627 237 A CB -0.513 18.505 19.000 0.030 0.000 0.815 237 A HN 0.302 nan 8.150 nan 0.000 0.443 238 A N -0.277 122.568 122.820 0.041 0.000 1.898 238 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 238 A C 1.953 179.559 177.584 0.037 0.000 1.181 238 A CA 1.971 54.038 52.037 0.049 0.000 0.620 238 A CB -0.466 18.573 19.000 0.065 0.000 0.819 238 A HN 0.560 nan 8.150 nan 0.000 0.442 239 E N 0.200 120.416 120.200 0.028 0.000 2.077 239 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 239 E C 1.711 178.325 176.600 0.023 0.000 0.989 239 E CA 1.473 57.886 56.400 0.022 0.000 0.800 239 E CB -0.348 29.362 29.700 0.017 0.000 0.746 239 E HN 0.645 nan 8.360 nan 0.000 0.452 240 I N 0.424 121.008 120.570 0.024 0.000 2.163 240 I HA -0.306 3.864 4.170 -0.000 0.000 0.243 240 I C 2.431 178.563 176.117 0.025 0.000 1.085 240 I CA 1.161 62.475 61.300 0.024 0.000 1.347 240 I CB -0.444 37.569 38.000 0.023 0.000 1.044 240 I HN 0.218 nan 8.210 nan 0.000 0.408 241 A N 1.458 124.295 122.820 0.028 0.000 1.883 241 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 241 A C 2.326 179.928 177.584 0.030 0.000 1.186 241 A CA 2.095 54.149 52.037 0.029 0.000 0.624 241 A CB -1.047 17.973 19.000 0.033 0.000 0.822 241 A HN 0.628 nan 8.150 nan 0.000 0.444 242 I N -3.378 117.212 120.570 0.032 0.000 2.493 242 I HA -0.102 4.067 4.170 -0.000 0.000 0.254 242 I C 1.074 177.207 176.117 0.027 0.000 1.160 242 I CA 1.794 63.114 61.300 0.032 0.000 1.445 242 I CB -0.329 37.690 38.000 0.032 0.000 1.086 242 I HN 0.128 nan 8.210 nan 0.000 0.433 243 N N 1.457 120.171 118.700 0.025 0.000 2.268 243 N HA 0.074 4.813 4.740 -0.000 0.000 0.204 243 N C 0.440 175.963 175.510 0.022 0.000 1.124 243 N CA 0.104 53.168 53.050 0.022 0.000 0.838 243 N CB 0.331 38.830 38.487 0.020 0.000 0.994 243 N HN 0.329 nan 8.380 nan 0.000 0.489 244 S N 1.819 117.533 115.700 0.023 0.000 2.546 244 S HA 0.084 4.554 4.470 -0.000 0.000 0.290 244 S C -1.324 173.288 174.600 0.020 0.000 1.290 244 S CA -1.061 57.153 58.200 0.022 0.000 1.069 244 S CB 1.079 64.293 63.200 0.022 0.000 0.846 244 S HN 0.016 nan 8.310 nan 0.000 0.495 245 P HA -0.090 nan 4.420 nan 0.000 0.218 245 P C 1.207 178.514 177.300 0.012 0.000 1.146 245 P CA 1.019 64.130 63.100 0.018 0.000 0.813 245 P CB 0.052 31.765 31.700 0.022 0.000 0.778 246 L N -1.762 119.468 121.223 0.011 0.000 2.265 246 L HA -0.125 4.214 4.340 -0.000 0.000 0.215 246 L C 2.032 178.905 176.870 0.005 0.000 1.117 246 L CA 0.975 55.817 54.840 0.003 0.000 0.782 246 L CB -0.552 41.510 42.059 0.005 0.000 0.914 246 L HN 0.037 nan 8.230 nan 0.000 0.441 247 L N -0.811 120.419 121.223 0.013 0.000 2.558 247 L HA 0.003 4.343 4.340 -0.000 0.000 0.225 247 L C 0.584 177.463 176.870 0.015 0.000 1.128 247 L CA 0.132 54.982 54.840 0.016 0.000 0.868 247 L CB -0.128 41.945 42.059 0.023 0.000 1.006 247 L HN 0.250 nan 8.230 nan 0.000 0.454 248 E N -0.244 119.963 120.200 0.011 0.000 2.360 248 E HA -0.307 4.043 4.350 -0.000 0.000 0.238 248 E C 0.778 177.387 176.600 0.015 0.000 1.186 248 E CA 0.275 56.681 56.400 0.009 0.000 0.719 248 E CB -1.343 28.358 29.700 0.002 0.000 1.236 248 E HN 0.537 nan 8.360 nan 0.000 0.386 249 A N -0.403 122.429 122.820 0.019 0.000 2.771 249 A HA -0.345 3.975 4.320 -0.000 0.000 0.294 249 A C 1.613 179.216 177.584 0.031 0.000 1.500 249 A CA 1.610 53.661 52.037 0.024 0.000 0.829 249 A CB -2.200 16.813 19.000 0.022 0.000 0.998 249 A HN 1.043 nan 8.150 nan 0.000 0.526 250 S N -2.451 113.268 115.700 0.033 0.000 2.524 250 S HA 0.133 4.603 4.470 -0.000 0.000 0.216 250 S C 1.511 176.141 174.600 0.051 0.000 0.987 250 S CA 1.064 59.289 58.200 0.042 0.000 0.909 250 S CB -0.141 63.082 63.200 0.037 0.000 0.781 250 S HN 0.931 nan 8.310 nan 0.000 0.521 251 M N 2.607 122.234 119.600 0.045 0.000 2.082 251 M HA -0.065 4.415 4.480 -0.000 0.000 0.258 251 M C 1.981 178.318 176.300 0.062 0.000 1.069 251 M CA 1.794 57.123 55.300 0.048 0.000 1.102 251 M CB -0.877 31.747 32.600 0.040 0.000 1.336 251 M HN 0.436 nan 8.290 nan 0.000 0.404 252 E N -1.257 118.981 120.200 0.063 0.000 2.097 252 E HA -0.191 4.159 4.350 -0.000 0.000 0.196 252 E C 1.601 178.284 176.600 0.138 0.000 1.000 252 E CA 1.317 57.765 56.400 0.080 0.000 0.804 252 E CB -0.468 29.273 29.700 0.067 0.000 0.740 252 E HN 0.702 nan 8.360 nan 0.000 0.454 253 G N -0.364 108.508 108.800 0.120 0.000 3.088 253 G HA2 0.280 4.240 3.960 -0.000 0.000 0.217 253 G HA3 0.280 4.240 3.960 -0.000 0.000 0.217 253 G C 0.205 175.121 174.900 0.026 0.000 1.159 253 G CA 0.279 45.447 45.100 0.113 0.000 0.760 253 G HN 0.292 nan 8.290 nan 0.000 0.550 254 A N 0.300 123.150 122.820 0.050 0.000 2.440 254 A HA 0.485 4.804 4.320 -0.000 0.000 0.251 254 A C 1.160 178.730 177.584 -0.023 0.000 1.089 254 A CA -0.104 51.943 52.037 0.017 0.000 0.779 254 A CB 0.545 19.566 19.000 0.036 0.000 1.022 254 A HN 0.196 nan 8.150 nan 0.000 0.492 255 Q N 1.252 121.005 119.800 -0.078 0.000 2.384 255 Q HA 0.146 4.485 4.340 -0.000 0.000 0.207 255 Q C 0.647 176.620 176.000 -0.045 0.000 0.904 255 Q CA 0.923 56.665 55.803 -0.101 0.000 0.933 255 Q CB 0.780 29.408 28.738 -0.183 0.000 1.077 255 Q HN 0.836 nan 8.270 nan 0.000 0.522 256 G N 0.193 108.978 108.800 -0.024 0.000 2.707 256 G HA2 0.546 4.505 3.960 -0.000 0.000 0.299 256 G HA3 0.546 4.505 3.960 -0.000 0.000 0.299 256 G C -1.280 173.624 174.900 0.006 0.000 1.442 256 G CA -0.221 44.871 45.100 -0.013 0.000 1.009 256 G HN -0.059 nan 8.290 nan 0.000 0.515 257 V N 2.580 122.505 119.914 0.018 0.000 2.709 257 V HA 0.576 4.696 4.120 -0.000 0.000 0.308 257 V C -0.751 175.367 176.094 0.039 0.000 1.062 257 V CA -0.777 61.544 62.300 0.034 0.000 0.901 257 V CB 1.931 33.782 31.823 0.047 0.000 1.003 257 V HN 0.682 nan 8.190 nan 0.000 0.425 258 L N 4.714 125.959 121.223 0.037 0.000 2.341 258 L HA 0.743 5.083 4.340 -0.000 0.000 0.278 258 L C -0.471 176.421 176.870 0.037 0.000 1.005 258 L CA -0.106 54.755 54.840 0.034 0.000 0.818 258 L CB 1.589 43.662 42.059 0.023 0.000 1.259 258 L HN 0.777 nan 8.230 nan 0.000 0.418 259 M N 3.510 123.129 119.600 0.032 0.000 2.327 259 M HA 0.578 5.058 4.480 -0.000 0.000 0.298 259 M C -1.432 174.761 176.300 -0.178 0.000 1.065 259 M CA -0.142 55.160 55.300 0.003 0.000 0.916 259 M CB 1.982 34.672 32.600 0.150 0.000 1.630 259 M HN 0.542 nan 8.290 nan 0.000 0.442 260 S N 5.184 120.788 115.700 -0.160 0.000 2.532 260 S HA 0.706 5.176 4.470 -0.000 0.000 0.299 260 S C -1.165 173.325 174.600 -0.183 0.000 1.105 260 S CA -0.711 57.352 58.200 -0.229 0.000 1.018 260 S CB 1.014 64.141 63.200 -0.122 0.000 1.021 260 S HN 0.720 nan 8.310 nan 0.000 0.483 261 I N 4.003 124.429 120.570 -0.240 0.000 2.355 261 I HA 0.509 4.679 4.170 -0.000 0.000 0.288 261 I C 0.270 176.338 176.117 -0.081 0.000 0.999 261 I CA -0.697 60.536 61.300 -0.112 0.000 1.163 261 I CB 1.471 39.432 38.000 -0.066 0.000 1.316 261 I HN 0.695 nan 8.210 nan 0.000 0.454 262 A N 4.938 127.732 122.820 -0.044 0.000 2.301 262 A HA 0.935 5.255 4.320 -0.000 0.000 0.312 262 A C 0.203 177.782 177.584 -0.008 0.000 1.182 262 A CA -0.180 51.841 52.037 -0.027 0.000 0.826 262 A CB 1.030 20.018 19.000 -0.021 0.000 1.134 262 A HN 0.901 nan 8.150 nan 0.000 0.501 263 G N 0.013 108.811 108.800 -0.003 0.000 2.430 263 G HA2 0.593 4.552 3.960 -0.000 0.000 0.300 263 G HA3 0.593 4.552 3.960 -0.000 0.000 0.300 263 G C -0.034 174.871 174.900 0.010 0.000 1.330 263 G CA -0.003 45.102 45.100 0.008 0.000 0.813 263 G HN 1.311 nan 8.290 nan 0.000 0.487 264 G N -0.652 108.157 108.800 0.015 0.000 2.614 264 G HA2 0.447 4.407 3.960 -0.000 0.000 0.239 264 G HA3 0.447 4.407 3.960 -0.000 0.000 0.239 264 G C 1.446 176.356 174.900 0.018 0.000 1.240 264 G CA 0.972 46.081 45.100 0.015 0.000 0.842 264 G HN 1.597 nan 8.290 nan 0.000 0.584 265 S N 0.009 115.719 115.700 0.016 0.000 2.440 265 S HA -0.179 4.290 4.470 -0.000 0.000 0.238 265 S C 1.487 176.101 174.600 0.024 0.000 1.010 265 S CA 1.607 59.818 58.200 0.018 0.000 0.972 265 S CB -0.128 63.082 63.200 0.016 0.000 0.774 265 S HN 0.748 nan 8.310 nan 0.000 0.501 266 D N 0.426 120.841 120.400 0.025 0.000 2.340 266 D HA 0.099 4.739 4.640 -0.000 0.000 0.220 266 D C 0.440 176.764 176.300 0.039 0.000 1.039 266 D CA -0.403 53.615 54.000 0.029 0.000 0.866 266 D CB -0.529 40.287 40.800 0.025 0.000 0.913 266 D HN 0.317 nan 8.370 nan 0.000 0.523 267 L N 2.037 123.284 121.223 0.040 0.000 2.660 267 L HA 0.266 4.606 4.340 -0.000 0.000 0.272 267 L C 0.953 177.861 176.870 0.064 0.000 1.194 267 L CA 0.237 55.108 54.840 0.052 0.000 0.945 267 L CB 0.316 42.404 42.059 0.047 0.000 1.212 267 L HN 0.086 nan 8.230 nan 0.000 0.490 268 G N 3.929 112.778 108.800 0.080 0.000 2.476 268 G HA2 0.276 4.236 3.960 -0.000 0.000 0.269 268 G HA3 0.276 4.236 3.960 -0.000 0.000 0.269 268 G C 0.622 175.590 174.900 0.114 0.000 1.195 268 G CA -0.557 44.602 45.100 0.098 0.000 0.843 268 G HN 0.747 nan 8.290 nan 0.000 0.545 269 L N 1.979 123.271 121.223 0.115 0.000 2.083 269 L HA 0.029 4.369 4.340 -0.000 0.000 0.209 269 L C 2.259 179.198 176.870 0.114 0.000 1.083 269 L CA 1.587 56.492 54.840 0.107 0.000 0.752 269 L CB -0.736 41.380 42.059 0.095 0.000 0.899 269 L HN 0.633 nan 8.230 nan 0.000 0.433 270 F N 1.117 121.080 119.950 0.021 0.000 2.075 270 F HA -0.257 4.270 4.527 -0.000 0.000 0.297 270 F C 2.467 178.276 175.800 0.015 0.000 1.113 270 F CA 2.158 60.164 58.000 0.011 0.000 1.218 270 F CB -0.331 38.674 39.000 0.008 0.000 0.984 270 F HN 0.441 nan 8.300 nan 0.000 0.472 271 E N 0.243 120.510 120.200 0.110 0.000 2.106 271 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 271 E C 2.278 178.859 176.600 -0.031 0.000 0.984 271 E CA 1.768 58.179 56.400 0.017 0.000 0.806 271 E CB -0.851 28.919 29.700 0.118 0.000 0.750 271 E HN 0.541 nan 8.360 nan 0.000 0.458 272 I N 1.683 122.272 120.570 0.032 0.000 2.142 272 I HA -0.276 3.893 4.170 -0.000 0.000 0.240 272 I C 2.455 178.568 176.117 -0.007 0.000 1.078 272 I CA 1.534 62.896 61.300 0.105 0.000 1.343 272 I CB -0.400 37.700 38.000 0.167 0.000 1.046 272 I HN 0.180 nan 8.210 nan 0.000 0.405 273 N N 0.828 119.451 118.700 -0.130 0.000 2.205 273 N HA -0.211 4.529 4.740 -0.000 0.000 0.186 273 N C 1.708 177.017 175.510 -0.335 0.000 1.015 273 N CA 1.365 54.255 53.050 -0.267 0.000 0.862 273 N CB -0.007 38.340 38.487 -0.234 0.000 0.986 273 N HN 0.317 nan 8.380 nan 0.000 0.429 274 E N -0.407 119.568 120.200 -0.375 0.000 2.085 274 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 274 E C 1.887 178.373 176.600 -0.190 0.000 0.994 274 E CA 1.173 57.379 56.400 -0.324 0.000 0.801 274 E CB -0.198 29.305 29.700 -0.329 0.000 0.743 274 E HN 0.498 nan 8.360 nan 0.000 0.453 275 A N 1.404 124.153 122.820 -0.119 0.000 1.902 275 A HA -0.103 4.216 4.320 -0.000 0.000 0.217 275 A C 2.387 179.911 177.584 -0.100 0.000 1.181 275 A CA 1.659 53.680 52.037 -0.027 0.000 0.623 275 A CB -0.601 18.469 19.000 0.116 0.000 0.818 275 A HN 0.297 nan 8.150 nan 0.000 0.443 276 A N -0.926 121.662 122.820 -0.387 0.000 1.933 276 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 276 A C 2.460 179.815 177.584 -0.381 0.000 1.175 276 A CA 2.114 53.687 52.037 -0.773 0.000 0.628 276 A CB -0.866 17.217 19.000 -1.528 0.000 0.814 276 A HN 0.533 nan 8.150 nan 0.000 0.444 277 S N -0.782 114.744 115.700 -0.289 0.000 2.368 277 S HA -0.134 4.335 4.470 -0.000 0.000 0.224 277 S C 1.926 176.452 174.600 -0.123 0.000 1.029 277 S CA 1.431 59.517 58.200 -0.190 0.000 0.988 277 S CB -0.462 62.630 63.200 -0.179 0.000 0.838 277 S HN 0.490 nan 8.310 nan 0.000 0.462 278 L N 1.553 122.714 121.223 -0.104 0.000 1.990 278 L HA -0.031 4.309 4.340 -0.000 0.000 0.213 278 L C 2.437 179.286 176.870 -0.034 0.000 1.072 278 L CA 1.958 56.765 54.840 -0.055 0.000 0.755 278 L CB -1.004 41.034 42.059 -0.034 0.000 0.889 278 L HN 0.266 nan 8.230 nan 0.000 0.432 279 V N -0.646 119.253 119.914 -0.025 0.000 2.407 279 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 279 V C 2.468 178.558 176.094 -0.007 0.000 1.055 279 V CA 2.103 64.409 62.300 0.010 0.000 1.049 279 V CB -0.258 31.606 31.823 0.067 0.000 0.662 279 V HN 0.684 nan 8.190 nan 0.000 0.455 280 Q N -0.883 118.891 119.800 -0.042 0.000 2.119 280 Q HA -0.207 4.133 4.340 -0.000 0.000 0.201 280 Q C 1.989 177.968 176.000 -0.035 0.000 0.972 280 Q CA 1.821 57.600 55.803 -0.041 0.000 0.847 280 Q CB -0.215 28.482 28.738 -0.068 0.000 0.903 280 Q HN 0.640 nan 8.270 nan 0.000 0.433 281 D N 0.478 120.854 120.400 -0.041 0.000 2.117 281 D HA -0.126 4.514 4.640 -0.000 0.000 0.197 281 D C 1.665 177.951 176.300 -0.024 0.000 0.987 281 D CA 1.412 55.390 54.000 -0.036 0.000 0.829 281 D CB -0.101 40.677 40.800 -0.036 0.000 0.961 281 D HN 0.251 nan 8.370 nan 0.000 0.460 282 A N 0.552 123.365 122.820 -0.011 0.000 1.970 282 A HA 0.304 4.624 4.320 -0.000 0.000 0.216 282 A C 1.428 179.021 177.584 0.015 0.000 1.170 282 A CA 0.935 52.974 52.037 0.003 0.000 0.645 282 A CB -0.370 18.637 19.000 0.012 0.000 0.816 282 A HN 0.235 nan 8.150 nan 0.000 0.447 283 A N -0.651 122.181 122.820 0.020 0.000 2.313 283 A HA 0.435 4.754 4.320 -0.000 0.000 0.261 283 A C 0.158 177.774 177.584 0.053 0.000 1.090 283 A CA -0.310 51.755 52.037 0.047 0.000 0.807 283 A CB -0.325 18.703 19.000 0.047 0.000 1.055 283 A HN 0.599 nan 8.150 nan 0.000 0.492 284 H N 1.143 120.208 119.070 -0.008 0.000 3.064 284 H HA 0.129 4.685 4.556 -0.000 0.000 0.329 284 H C -1.728 173.587 175.328 -0.022 0.000 1.020 284 H CA -0.182 55.857 56.048 -0.016 0.000 1.402 284 H CB 0.627 30.375 29.762 -0.024 0.000 1.379 284 H HN 0.316 nan 8.280 nan 0.000 0.594 285 P HA -0.189 nan 4.420 nan 0.000 0.217 285 P C 0.434 177.743 177.300 0.014 0.000 1.151 285 P CA 1.600 64.605 63.100 -0.159 0.000 0.849 285 P CB 0.267 31.812 31.700 -0.257 0.000 0.787 286 D N -1.367 119.183 120.400 0.250 0.000 2.340 286 D HA 0.129 4.769 4.640 -0.000 0.000 0.220 286 D C 0.709 177.080 176.300 0.118 0.000 1.039 286 D CA 0.141 54.261 54.000 0.200 0.000 0.866 286 D CB -0.424 40.501 40.800 0.208 0.000 0.913 286 D HN 0.098 nan 8.370 nan 0.000 0.523 287 A N 0.746 123.642 122.820 0.127 0.000 2.511 287 A HA 0.106 4.426 4.320 -0.000 0.000 0.242 287 A C 0.377 177.975 177.584 0.023 0.000 1.069 287 A CA -0.138 51.931 52.037 0.054 0.000 0.763 287 A CB -0.114 18.926 19.000 0.067 0.000 1.001 287 A HN 0.090 nan 8.150 nan 0.000 0.498 288 N N 0.592 119.294 118.700 0.003 0.000 2.497 288 N HA 0.450 5.190 4.740 -0.000 0.000 0.271 288 N C -0.865 174.652 175.510 0.012 0.000 1.142 288 N CA 0.216 53.266 53.050 -0.000 0.000 0.965 288 N CB 0.638 39.115 38.487 -0.016 0.000 1.077 288 N HN 0.574 nan 8.380 nan 0.000 0.462 289 I N 3.447 124.030 120.570 0.023 0.000 2.447 289 I HA 0.330 4.500 4.170 -0.000 0.000 0.287 289 I C -0.885 175.271 176.117 0.065 0.000 1.023 289 I CA -0.798 60.530 61.300 0.047 0.000 1.083 289 I CB 1.485 39.515 38.000 0.051 0.000 1.245 289 I HN 0.281 nan 8.210 nan 0.000 0.434 290 I N 6.532 127.144 120.570 0.071 0.000 2.336 290 I HA 0.386 4.556 4.170 -0.000 0.000 0.292 290 I C -0.641 175.558 176.117 0.136 0.000 0.991 290 I CA -0.645 60.702 61.300 0.077 0.000 1.227 290 I CB 1.035 39.050 38.000 0.025 0.000 1.366 290 I HN 0.373 nan 8.210 nan 0.000 0.466 291 F N 4.979 124.928 119.950 -0.000 0.000 2.547 291 F HA 0.826 5.352 4.527 -0.000 0.000 0.316 291 F C -0.084 175.719 175.800 0.006 0.000 1.121 291 F CA -0.136 57.865 58.000 0.001 0.000 0.911 291 F CB 2.068 41.065 39.000 -0.005 0.000 1.179 291 F HN 0.532 nan 8.300 nan 0.000 0.443 292 G N 1.901 110.223 108.800 -0.796 0.000 2.600 292 G HA2 0.559 4.519 3.960 -0.000 0.000 0.293 292 G HA3 0.559 4.519 3.960 -0.000 0.000 0.293 292 G C -1.550 172.989 174.900 -0.602 0.000 1.408 292 G CA -0.347 44.445 45.100 -0.514 0.000 0.782 292 G HN 0.835 nan 8.290 nan 0.000 0.482 293 T N -2.935 111.451 114.554 -0.280 0.000 2.916 293 T HA 0.774 5.124 4.350 -0.000 0.000 0.292 293 T C -1.213 173.430 174.700 -0.095 0.000 1.064 293 T CA -0.851 61.139 62.100 -0.183 0.000 1.011 293 T CB 1.992 70.809 68.868 -0.085 0.000 1.152 293 T HN 0.948 nan 8.240 nan 0.000 0.510 294 V N 1.846 121.719 119.914 -0.068 0.000 2.623 294 V HA 0.425 4.545 4.120 -0.000 0.000 0.304 294 V C -0.331 175.750 176.094 -0.021 0.000 1.054 294 V CA -0.932 61.344 62.300 -0.040 0.000 0.882 294 V CB 1.665 33.463 31.823 -0.041 0.000 1.002 294 V HN 0.910 nan 8.190 nan 0.000 0.424 295 I N 4.367 124.931 120.570 -0.010 0.000 2.436 295 I HA 0.287 4.457 4.170 -0.000 0.000 0.289 295 I C -0.268 175.848 176.117 -0.002 0.000 1.083 295 I CA 0.499 61.797 61.300 -0.002 0.000 1.372 295 I CB 0.580 38.581 38.000 0.003 0.000 1.408 295 I HN 0.567 nan 8.210 nan 0.000 0.516 296 D N 6.017 126.417 120.400 0.000 0.000 2.358 296 D HA 0.134 4.774 4.640 -0.000 0.000 0.253 296 D C 0.194 176.497 176.300 0.005 0.000 1.288 296 D CA -0.372 53.629 54.000 0.002 0.000 0.950 296 D CB 0.902 41.702 40.800 -0.000 0.000 1.197 296 D HN 0.366 nan 8.370 nan 0.000 0.550 297 D N 0.893 121.297 120.400 0.006 0.000 2.378 297 D HA -0.099 4.541 4.640 -0.000 0.000 0.227 297 D C 1.652 177.957 176.300 0.007 0.000 1.012 297 D CA 0.486 54.490 54.000 0.008 0.000 0.905 297 D CB 0.349 41.154 40.800 0.008 0.000 0.895 297 D HN 0.421 nan 8.370 nan 0.000 0.532 298 S N -0.747 114.957 115.700 0.007 0.000 2.558 298 S HA 0.056 4.526 4.470 -0.000 0.000 0.217 298 S C 1.847 176.451 174.600 0.007 0.000 0.975 298 S CA -0.098 58.106 58.200 0.006 0.000 0.912 298 S CB -0.141 63.062 63.200 0.006 0.000 0.776 298 S HN 0.207 nan 8.310 nan 0.000 0.526 299 L N 1.076 122.304 121.223 0.008 0.000 2.492 299 L HA 0.254 4.594 4.340 -0.000 0.000 0.223 299 L C 1.926 178.802 176.870 0.010 0.000 1.132 299 L CA 0.386 55.231 54.840 0.009 0.000 0.850 299 L CB -1.169 40.895 42.059 0.008 0.000 0.966 299 L HN 0.654 nan 8.230 nan 0.000 0.454 300 G N 1.724 110.531 108.800 0.011 0.000 2.556 300 G HA2 -0.400 3.559 3.960 -0.000 0.000 0.283 300 G HA3 -0.400 3.559 3.960 -0.000 0.000 0.283 300 G C 0.342 175.250 174.900 0.014 0.000 1.177 300 G CA 0.310 45.417 45.100 0.012 0.000 0.978 300 G HN 0.478 nan 8.290 nan 0.000 0.554 301 D N 1.464 121.873 120.400 0.015 0.000 2.325 301 D HA 0.147 4.787 4.640 -0.000 0.000 0.234 301 D C 0.692 177.003 176.300 0.019 0.000 1.122 301 D CA 0.848 54.859 54.000 0.018 0.000 0.850 301 D CB 0.038 40.849 40.800 0.018 0.000 0.921 301 D HN 0.719 nan 8.370 nan 0.000 0.513 302 E N 0.699 120.909 120.200 0.017 0.000 2.301 302 E HA 0.333 4.683 4.350 -0.000 0.000 0.275 302 E C -0.518 176.092 176.600 0.017 0.000 1.030 302 E CA -0.800 55.610 56.400 0.017 0.000 0.852 302 E CB 1.765 31.474 29.700 0.015 0.000 1.060 302 E HN 0.075 nan 8.360 nan 0.000 0.401 303 V N 1.673 121.599 119.914 0.019 0.000 2.628 303 V HA 0.680 4.800 4.120 -0.000 0.000 0.306 303 V C -0.733 175.370 176.094 0.016 0.000 1.045 303 V CA -0.929 61.382 62.300 0.018 0.000 0.905 303 V CB 1.701 33.539 31.823 0.025 0.000 0.997 303 V HN 0.660 nan 8.190 nan 0.000 0.436 304 R N 2.913 123.419 120.500 0.009 0.000 2.439 304 R HA 0.785 5.125 4.340 -0.000 0.000 0.310 304 R C -1.526 174.775 176.300 0.001 0.000 0.955 304 R CA -0.646 55.459 56.100 0.007 0.000 0.853 304 R CB 2.365 32.667 30.300 0.004 0.000 1.171 304 R HN 0.696 nan 8.270 nan 0.000 0.449 305 V N 2.276 122.195 119.914 0.008 0.000 2.513 305 V HA 0.446 4.566 4.120 -0.000 0.000 0.299 305 V C -0.044 176.054 176.094 0.006 0.000 1.035 305 V CA -0.533 61.770 62.300 0.005 0.000 0.889 305 V CB 2.199 34.037 31.823 0.025 0.000 0.988 305 V HN 0.743 nan 8.190 nan 0.000 0.440 306 T N 3.872 118.424 114.554 -0.004 0.000 2.829 306 T HA 0.632 4.982 4.350 -0.000 0.000 0.280 306 T C -0.539 174.168 174.700 0.011 0.000 0.999 306 T CA -0.465 61.638 62.100 0.006 0.000 0.983 306 T CB 1.638 70.507 68.868 0.001 0.000 0.968 306 T HN 0.736 nan 8.240 nan 0.000 0.446 307 V N 1.394 121.323 119.914 0.025 0.000 2.540 307 V HA 0.728 4.848 4.120 -0.000 0.000 0.302 307 V C -0.945 175.169 176.094 0.034 0.000 1.035 307 V CA -0.958 61.362 62.300 0.033 0.000 0.873 307 V CB 1.502 33.350 31.823 0.042 0.000 0.992 307 V HN 0.696 nan 8.190 nan 0.000 0.428 308 I N 4.128 124.720 120.570 0.036 0.000 2.406 308 I HA 0.784 4.953 4.170 -0.000 0.000 0.290 308 I C 0.341 176.478 176.117 0.032 0.000 0.999 308 I CA -0.538 60.784 61.300 0.036 0.000 1.124 308 I CB 1.474 39.499 38.000 0.042 0.000 1.289 308 I HN 0.977 nan 8.210 nan 0.000 0.441 309 A N 5.390 128.228 122.820 0.031 0.000 2.318 309 A HA 0.915 5.235 4.320 -0.000 0.000 0.317 309 A C -0.387 177.212 177.584 0.025 0.000 1.159 309 A CA -0.425 51.630 52.037 0.030 0.000 0.799 309 A CB 1.361 20.381 19.000 0.034 0.000 1.194 309 A HN 0.841 nan 8.150 nan 0.000 0.479 310 A N 1.576 124.407 122.820 0.019 0.000 2.423 310 A HA 1.003 5.323 4.320 -0.000 0.000 0.304 310 A C 0.443 178.037 177.584 0.018 0.000 1.104 310 A CA 0.006 52.054 52.037 0.018 0.000 0.757 310 A CB 1.081 20.084 19.000 0.004 0.000 1.313 310 A HN 2.871 nan 8.150 nan 0.000 0.423 311 G N -0.939 107.887 108.800 0.044 0.000 2.728 311 G HA2 0.420 4.379 3.960 -0.000 0.000 0.294 311 G HA3 0.420 4.379 3.960 -0.000 0.000 0.294 311 G C -0.554 174.427 174.900 0.135 0.000 1.342 311 G CA 0.130 45.260 45.100 0.050 0.000 0.866 311 G HN 2.414 nan 8.290 nan 0.000 0.534 312 F N -0.933 118.966 119.950 -0.085 0.000 2.686 312 F HA 0.743 5.269 4.527 -0.000 0.000 0.311 312 F C -0.324 175.384 175.800 -0.154 0.000 1.128 312 F CA -0.586 57.360 58.000 -0.090 0.000 0.946 312 F CB 1.117 40.084 39.000 -0.055 0.000 1.336 312 F HN 0.868 nan 8.300 nan 0.000 0.457 313 D N 0.000 120.314 120.400 -0.144 0.000 6.856 313 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 313 D CA 0.000 53.832 54.000 -0.280 0.000 0.868 313 D CB 0.000 40.759 40.800 -0.068 0.000 0.688 313 D HN 0.000 nan 8.370 nan 0.000 0.683