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 3e04_1_C DATA FIRST_RESID 49 DATA SEQUENCE SFRIEYDTFG ELKVPNDKYY GAQTVRSTMN FKIGGVTERM PTPVIKAFGI DATA SEQUENCE LKRAAAEVNQ DYGLDPKIAN AIMKAADEVA EGKLNDHFPL VVWQTGSGTQ DATA SEQUENCE TNMNVNEVIS NRAIEMLGGE LGSKIPVHPN DHVNKSQSSN DTFPTAMHIA DATA SEQUENCE AAIEVHEVLL PGLQKLHDAL DAKSKEFAQI IKIGRTHTQD AVPLTLGQEF DATA SEQUENCE SGYVQQVKYA MTRIKAAMPR IYELAAGGTA VGTGLNTRIG FAEKVAAKVA DATA SEQUENCE ALTGLPFVTA PNKFEALAAH DALVELSGAM NTTACSLMKI ANDIRFLGSG DATA SEQUENCE PRSGLGELIL PENEPGSSIM PGKVNPTQCE AMTMVAAQVM GNHVAVTVGG DATA SEQUENCE SNGHFELNVF KPMMIKNVLH SARLLGDASV SFTENCVVGI QANTERINKL DATA SEQUENCE MNESLMXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXKPKDMLG PK 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 49 S HA 0.000 nan 4.470 nan 0.000 0.327 49 S C 0.000 174.569 174.600 -0.052 0.000 1.055 49 S CA 0.000 58.177 58.200 -0.039 0.000 1.107 49 S CB 0.000 63.177 63.200 -0.039 0.000 0.593 50 F N 2.309 122.229 119.950 -0.050 0.000 2.620 50 F HA 0.979 5.506 4.527 -0.000 0.000 0.320 50 F C -0.025 175.738 175.800 -0.062 0.000 1.069 50 F CA -0.830 57.134 58.000 -0.061 0.000 0.953 50 F CB 0.907 39.875 39.000 -0.052 0.000 1.322 50 F HN 1.101 nan 8.300 nan 0.000 0.479 51 R N 1.605 122.061 120.500 -0.073 0.000 2.856 51 R HA 0.844 5.184 4.340 -0.000 0.000 0.258 51 R C -1.728 174.522 176.300 -0.083 0.000 1.066 51 R CA -0.578 55.482 56.100 -0.066 0.000 1.045 51 R CB 1.906 32.166 30.300 -0.066 0.000 1.178 51 R HN 0.573 nan 8.270 nan 0.000 0.499 52 I N 1.827 122.344 120.570 -0.089 0.000 2.339 52 I HA 0.310 4.480 4.170 -0.000 0.000 0.290 52 I C 0.014 176.002 176.117 -0.215 0.000 0.994 52 I CA -0.413 60.780 61.300 -0.178 0.000 1.191 52 I CB 1.363 39.260 38.000 -0.173 0.000 1.343 52 I HN 0.745 nan 8.210 nan 0.000 0.458 53 E N 5.190 125.219 120.200 -0.284 0.000 2.316 53 E HA 0.594 4.944 4.350 -0.000 0.000 0.258 53 E C -1.598 174.709 176.600 -0.488 0.000 0.952 53 E CA -0.690 55.582 56.400 -0.213 0.000 0.818 53 E CB 2.359 32.022 29.700 -0.061 0.000 1.260 53 E HN 0.310 nan 8.360 nan 0.000 0.416 54 Y N 0.272 120.580 120.300 0.012 0.000 2.545 54 Y HA 0.297 4.847 4.550 -0.000 0.000 0.348 54 Y C -0.368 175.541 175.900 0.015 0.000 1.002 54 Y CA -0.877 57.232 58.100 0.015 0.000 1.039 54 Y CB 1.758 40.220 38.460 0.003 0.000 1.271 54 Y HN 0.523 nan 8.280 nan 0.000 0.467 55 D N -2.134 118.371 120.400 0.175 0.000 2.614 55 D HA 0.167 4.807 4.640 -0.000 0.000 0.264 55 D C 0.724 177.041 176.300 0.027 0.000 1.092 55 D CA -0.530 53.530 54.000 0.101 0.000 1.071 55 D CB 0.653 41.526 40.800 0.122 0.000 1.443 55 D HN 0.503 nan 8.370 nan 0.000 0.528 56 T N -2.575 111.890 114.554 -0.148 0.000 3.052 56 T HA -0.081 4.269 4.350 -0.000 0.000 0.270 56 T C 0.846 175.227 174.700 -0.531 0.000 1.147 56 T CA 0.875 62.748 62.100 -0.377 0.000 1.089 56 T CB -0.688 67.850 68.868 -0.550 0.000 0.875 56 T HN 0.364 nan 8.240 nan 0.000 0.541 57 F N 1.034 121.012 119.950 0.045 0.000 2.706 57 F HA 0.605 5.131 4.527 -0.000 0.000 0.313 57 F C 1.403 177.231 175.800 0.047 0.000 1.096 57 F CA -0.300 57.721 58.000 0.034 0.000 1.219 57 F CB 0.826 39.835 39.000 0.016 0.000 1.051 57 F HN 0.534 nan 8.300 nan 0.000 0.568 58 G N -0.121 108.802 108.800 0.205 0.000 2.361 58 G HA2 0.382 4.342 3.960 -0.000 0.000 0.305 58 G HA3 0.382 4.342 3.960 -0.000 0.000 0.305 58 G C -1.251 173.758 174.900 0.181 0.000 1.367 58 G CA -0.543 44.672 45.100 0.191 0.000 0.951 58 G HN 0.167 nan 8.290 nan 0.000 0.615 59 E N -0.892 119.387 120.200 0.131 0.000 2.390 59 E HA 0.697 5.047 4.350 -0.000 0.000 0.261 59 E C -0.016 176.471 176.600 -0.188 0.000 1.076 59 E CA 0.215 56.448 56.400 -0.279 0.000 0.905 59 E CB 0.806 30.326 29.700 -0.300 0.000 0.984 59 E HN 1.077 nan 8.360 nan 0.000 0.427 60 L N -0.126 120.934 121.223 -0.272 0.000 2.455 60 L HA 0.692 5.032 4.340 -0.000 0.000 0.264 60 L C 0.377 177.162 176.870 -0.142 0.000 0.968 60 L CA -1.249 53.511 54.840 -0.132 0.000 0.827 60 L CB 2.151 44.175 42.059 -0.059 0.000 1.317 60 L HN 0.721 nan 8.230 nan 0.000 0.407 61 K N 2.065 122.414 120.400 -0.084 0.000 2.339 61 K HA 0.608 4.928 4.320 -0.000 0.000 0.286 61 K C -0.589 175.991 176.600 -0.034 0.000 1.050 61 K CA -0.252 55.996 56.287 -0.066 0.000 0.956 61 K CB 0.733 33.207 32.500 -0.044 0.000 0.990 61 K HN 0.360 nan 8.250 nan 0.000 0.475 62 V N 5.399 125.283 119.914 -0.050 0.000 2.417 62 V HA 0.371 4.490 4.120 -0.000 0.000 0.291 62 V C -2.439 173.594 176.094 -0.102 0.000 1.024 62 V CA -2.393 59.880 62.300 -0.044 0.000 0.861 62 V CB 1.647 33.436 31.823 -0.056 0.000 0.985 62 V HN 0.764 nan 8.190 nan 0.000 0.436 63 P HA 0.166 nan 4.420 nan 0.000 0.268 63 P C 0.428 177.611 177.300 -0.195 0.000 1.204 63 P CA -0.019 63.000 63.100 -0.135 0.000 0.768 63 P CB 0.551 32.179 31.700 -0.120 0.000 0.842 64 N N 2.070 120.679 118.700 -0.152 0.000 2.512 64 N HA -0.122 4.618 4.740 -0.000 0.000 0.183 64 N C 0.738 176.118 175.510 -0.216 0.000 1.073 64 N CA 0.738 53.688 53.050 -0.166 0.000 0.911 64 N CB -0.298 38.121 38.487 -0.113 0.000 0.964 64 N HN 0.462 nan 8.380 nan 0.000 0.447 65 D N -1.186 119.091 120.400 -0.205 0.000 2.319 65 D HA -0.005 4.635 4.640 -0.000 0.000 0.230 65 D C -0.252 175.896 176.300 -0.253 0.000 1.094 65 D CA 0.268 54.141 54.000 -0.211 0.000 0.856 65 D CB 0.080 40.805 40.800 -0.126 0.000 0.915 65 D HN -0.129 nan 8.370 nan 0.000 0.517 66 K N 0.092 120.269 120.400 -0.372 0.000 2.318 66 K HA 0.199 4.519 4.320 -0.000 0.000 0.249 66 K C -0.294 175.977 176.600 -0.548 0.000 0.942 66 K CA -0.835 55.217 56.287 -0.392 0.000 0.808 66 K CB 1.538 33.508 32.500 -0.883 0.000 1.189 66 K HN -0.082 nan 8.250 nan 0.000 0.428 67 Y N 0.201 120.328 120.300 -0.288 0.000 2.482 67 Y HA -0.022 4.528 4.550 -0.000 0.000 0.270 67 Y C 0.858 176.630 175.900 -0.215 0.000 1.152 67 Y CA -0.277 57.623 58.100 -0.333 0.000 1.292 67 Y CB -0.275 37.896 38.460 -0.481 0.000 1.070 67 Y HN 0.526 nan 8.280 nan 0.000 0.528 68 Y N -0.837 119.452 120.300 -0.019 0.000 2.260 68 Y HA 0.686 5.236 4.550 -0.000 0.000 0.339 68 Y C 0.725 176.596 175.900 -0.047 0.000 1.317 68 Y CA -1.232 56.823 58.100 -0.075 0.000 1.514 68 Y CB -0.014 38.374 38.460 -0.120 0.000 1.382 68 Y HN -0.081 nan 8.280 nan 0.000 0.581 69 G N -1.101 107.853 108.800 0.258 0.000 3.166 69 G HA2 0.464 4.424 3.960 -0.000 0.000 0.267 69 G HA3 0.464 4.424 3.960 -0.000 0.000 0.267 69 G C 0.424 175.408 174.900 0.139 0.000 1.256 69 G CA -0.692 44.487 45.100 0.132 0.000 0.859 69 G HN 0.975 nan 8.290 nan 0.000 0.590 70 A N -0.795 122.066 122.820 0.068 0.000 1.892 70 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 70 A C 2.246 179.871 177.584 0.068 0.000 1.188 70 A CA 2.355 54.426 52.037 0.056 0.000 0.631 70 A CB -0.613 18.413 19.000 0.043 0.000 0.822 70 A HN 0.461 nan 8.150 nan 0.000 0.447 71 Q N -0.740 119.098 119.800 0.064 0.000 2.079 71 Q HA -0.114 4.226 4.340 -0.000 0.000 0.200 71 Q C 2.247 178.272 176.000 0.042 0.000 0.974 71 Q CA 1.976 57.818 55.803 0.066 0.000 0.840 71 Q CB -1.053 27.718 28.738 0.055 0.000 0.898 71 Q HN 0.701 nan 8.270 nan 0.000 0.430 72 T N 1.224 115.786 114.554 0.012 0.000 2.708 72 T HA -0.089 4.261 4.350 -0.000 0.000 0.266 72 T C 2.153 176.781 174.700 -0.121 0.000 1.037 72 T CA 1.312 63.357 62.100 -0.091 0.000 1.146 72 T CB -0.297 68.452 68.868 -0.199 0.000 0.865 72 T HN 0.024 nan 8.240 nan 0.000 0.435 73 V N 1.636 121.530 119.914 -0.032 0.000 2.332 73 V HA -0.182 3.938 4.120 -0.000 0.000 0.248 73 V C 2.655 178.748 176.094 -0.002 0.000 1.055 73 V CA 1.801 64.098 62.300 -0.006 0.000 1.038 73 V CB -0.560 31.311 31.823 0.080 0.000 0.651 73 V HN 0.266 nan 8.190 nan 0.000 0.450 74 R N 0.705 121.222 120.500 0.028 0.000 2.096 74 R HA -0.105 4.235 4.340 -0.000 0.000 0.235 74 R C 2.336 178.654 176.300 0.029 0.000 1.127 74 R CA 1.977 58.096 56.100 0.031 0.000 0.968 74 R CB -0.786 29.564 30.300 0.084 0.000 0.861 74 R HN 0.496 nan 8.270 nan 0.000 0.440 75 S N -0.573 115.173 115.700 0.078 0.000 2.399 75 S HA -0.135 4.335 4.470 -0.000 0.000 0.231 75 S C 1.756 176.460 174.600 0.173 0.000 1.022 75 S CA 1.542 59.864 58.200 0.203 0.000 0.983 75 S CB -0.440 62.857 63.200 0.162 0.000 0.803 75 S HN 0.738 nan 8.310 nan 0.000 0.480 76 T N 0.298 114.874 114.554 0.037 0.000 2.915 76 T HA 0.051 4.401 4.350 -0.000 0.000 0.269 76 T C 1.658 176.363 174.700 0.009 0.000 1.071 76 T CA 0.913 63.021 62.100 0.013 0.000 1.132 76 T CB -0.375 68.462 68.868 -0.052 0.000 0.878 76 T HN 0.303 nan 8.240 nan 0.000 0.479 77 M N 1.165 120.751 119.600 -0.024 0.000 2.248 77 M HA 0.189 4.669 4.480 -0.000 0.000 0.265 77 M C 1.924 178.142 176.300 -0.137 0.000 1.079 77 M CA 0.938 56.199 55.300 -0.065 0.000 1.150 77 M CB -0.199 32.359 32.600 -0.071 0.000 1.366 77 M HN 0.101 nan 8.290 nan 0.000 0.433 78 N N -0.085 118.479 118.700 -0.227 0.000 2.446 78 N HA 0.050 4.790 4.740 -0.000 0.000 0.179 78 N C -0.291 174.717 175.510 -0.837 0.000 1.054 78 N CA 0.799 53.531 53.050 -0.530 0.000 0.905 78 N CB 0.188 38.265 38.487 -0.683 0.000 0.973 78 N HN 0.219 nan 8.380 nan 0.000 0.448 79 F N 0.598 120.534 119.950 -0.024 0.000 2.530 79 F HA 0.347 4.874 4.527 -0.000 0.000 0.318 79 F C 0.250 176.061 175.800 0.019 0.000 1.356 79 F CA -0.718 57.285 58.000 0.005 0.000 1.135 79 F CB 0.530 39.537 39.000 0.013 0.000 1.315 79 F HN -0.409 nan 8.300 nan 0.000 0.549 80 K N 2.705 123.156 120.400 0.084 0.000 2.278 80 K HA 0.351 4.671 4.320 -0.000 0.000 0.237 80 K C -0.332 176.319 176.600 0.085 0.000 1.229 80 K CA 0.204 56.532 56.287 0.068 0.000 1.155 80 K CB 0.163 32.669 32.500 0.011 0.000 1.590 80 K HN 0.494 nan 8.250 nan 0.000 0.290 81 I N 0.633 121.296 120.570 0.156 0.000 2.448 81 I HA 0.170 4.340 4.170 -0.000 0.000 0.281 81 I C 0.931 177.157 176.117 0.182 0.000 1.027 81 I CA -0.299 61.085 61.300 0.139 0.000 1.111 81 I CB 1.646 39.757 38.000 0.184 0.000 1.236 81 I HN 0.698 nan 8.210 nan 0.000 0.452 82 G N 3.959 112.809 108.800 0.083 0.000 2.258 82 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.233 82 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.233 82 G C 0.628 175.586 174.900 0.095 0.000 1.006 82 G CA -0.060 45.091 45.100 0.085 0.000 0.620 82 G HN 1.504 nan 8.290 nan 0.000 0.511 83 G N -1.950 106.911 108.800 0.102 0.000 2.610 83 G HA2 0.149 4.109 3.960 -0.000 0.000 0.304 83 G HA3 0.149 4.109 3.960 -0.000 0.000 0.304 83 G C 0.989 175.934 174.900 0.076 0.000 1.309 83 G CA 1.218 46.362 45.100 0.074 0.000 0.906 83 G HN 1.743 nan 8.290 nan 0.000 0.521 84 V N 0.615 120.562 119.914 0.054 0.000 2.490 84 V HA -0.064 4.056 4.120 -0.000 0.000 0.250 84 V C 3.126 179.248 176.094 0.047 0.000 1.061 84 V CA 3.965 66.293 62.300 0.046 0.000 1.064 84 V CB -0.872 30.973 31.823 0.037 0.000 0.670 84 V HN 2.014 nan 8.190 nan 0.000 0.461 85 T N -2.662 111.924 114.554 0.053 0.000 3.051 85 T HA -0.069 4.280 4.350 -0.000 0.000 0.269 85 T C 1.376 176.110 174.700 0.056 0.000 1.127 85 T CA 1.249 63.378 62.100 0.049 0.000 1.107 85 T CB -0.338 68.559 68.868 0.048 0.000 0.898 85 T HN 0.562 nan 8.240 nan 0.000 0.517 86 E N 0.778 121.030 120.200 0.088 0.000 2.474 86 E HA 0.213 4.563 4.350 -0.000 0.000 0.195 86 E C 0.580 177.174 176.600 -0.011 0.000 1.039 86 E CA -0.125 56.340 56.400 0.109 0.000 0.881 86 E CB 0.018 29.904 29.700 0.311 0.000 0.970 86 E HN 0.613 nan 8.360 nan 0.000 0.486 87 R N 0.790 121.292 120.500 0.003 0.000 2.638 87 R HA -0.003 4.337 4.340 -0.000 0.000 0.268 87 R C 0.639 176.908 176.300 -0.052 0.000 1.006 87 R CA -0.209 55.882 56.100 -0.016 0.000 1.088 87 R CB 0.133 30.444 30.300 0.019 0.000 0.950 87 R HN 0.003 nan 8.270 nan 0.000 0.419 88 M N 4.650 124.216 119.600 -0.056 0.000 2.255 88 M HA 0.014 4.494 4.480 -0.000 0.000 0.356 88 M C -2.123 174.158 176.300 -0.032 0.000 1.338 88 M CA -1.126 54.143 55.300 -0.052 0.000 0.962 88 M CB 0.297 32.896 32.600 -0.002 0.000 1.877 88 M HN 0.297 nan 8.290 nan 0.000 0.463 89 P HA 0.045 nan 4.420 nan 0.000 0.264 89 P C 0.305 177.586 177.300 -0.032 0.000 1.193 89 P CA 0.147 63.233 63.100 -0.024 0.000 0.763 89 P CB 0.379 32.067 31.700 -0.019 0.000 0.810 90 T N 4.790 119.328 114.554 -0.025 0.000 2.685 90 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 90 T C -0.842 173.826 174.700 -0.052 0.000 1.034 90 T CA 2.010 64.084 62.100 -0.043 0.000 1.149 90 T CB -1.636 67.224 68.868 -0.013 0.000 0.860 90 T HN 0.523 nan 8.240 nan 0.000 0.449 91 P HA -0.016 nan 4.420 nan 0.000 0.218 91 P C 1.617 178.877 177.300 -0.067 0.000 1.148 91 P CA 0.527 63.605 63.100 -0.037 0.000 0.822 91 P CB -0.207 31.482 31.700 -0.019 0.000 0.784 92 V N -0.294 119.577 119.914 -0.073 0.000 2.358 92 V HA -0.203 3.917 4.120 -0.000 0.000 0.246 92 V C 2.314 178.408 176.094 0.001 0.000 1.047 92 V CA 1.490 63.733 62.300 -0.094 0.000 1.035 92 V CB -1.020 30.757 31.823 -0.077 0.000 0.658 92 V HN 0.020 nan 8.190 nan 0.000 0.452 93 I N 0.129 120.659 120.570 -0.066 0.000 2.226 93 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 93 I C 2.386 178.420 176.117 -0.138 0.000 1.100 93 I CA 1.597 62.771 61.300 -0.210 0.000 1.374 93 I CB -1.267 36.411 38.000 -0.536 0.000 1.057 93 I HN 0.356 nan 8.210 nan 0.000 0.413 94 K N 0.729 121.063 120.400 -0.110 0.000 2.097 94 K HA -0.093 4.227 4.320 -0.000 0.000 0.206 94 K C 2.175 178.743 176.600 -0.053 0.000 1.049 94 K CA 1.499 57.745 56.287 -0.068 0.000 0.933 94 K CB -0.183 32.288 32.500 -0.048 0.000 0.717 94 K HN 0.291 nan 8.250 nan 0.000 0.442 95 A N 0.710 123.480 122.820 -0.083 0.000 1.969 95 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 95 A C 1.879 179.349 177.584 -0.190 0.000 1.169 95 A CA 1.051 52.994 52.037 -0.156 0.000 0.635 95 A CB -0.600 18.265 19.000 -0.225 0.000 0.810 95 A HN 0.167 nan 8.150 nan 0.000 0.445 96 F N 0.593 120.447 119.950 -0.161 0.000 2.126 96 F HA -0.084 4.443 4.527 -0.000 0.000 0.299 96 F C 2.616 178.371 175.800 -0.075 0.000 1.096 96 F CA 1.317 59.246 58.000 -0.118 0.000 1.255 96 F CB -0.819 38.118 39.000 -0.105 0.000 0.997 96 F HN 0.284 nan 8.300 nan 0.000 0.479 97 G N 0.254 109.119 108.800 0.107 0.000 2.476 97 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 97 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 97 G C 1.793 176.705 174.900 0.020 0.000 1.164 97 G CA 1.309 46.443 45.100 0.057 0.000 0.768 97 G HN 0.374 nan 8.290 nan 0.000 0.560 98 I N 0.137 120.692 120.570 -0.024 0.000 2.179 98 I HA -0.142 4.028 4.170 -0.000 0.000 0.242 98 I C 2.593 178.668 176.117 -0.070 0.000 1.088 98 I CA 0.770 62.037 61.300 -0.055 0.000 1.357 98 I CB -0.303 37.640 38.000 -0.095 0.000 1.051 98 I HN 0.203 nan 8.210 nan 0.000 0.409 99 L N 1.062 122.225 121.223 -0.100 0.000 2.017 99 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 99 L C 2.364 179.232 176.870 -0.003 0.000 1.073 99 L CA 1.969 56.745 54.840 -0.106 0.000 0.745 99 L CB -0.777 41.169 42.059 -0.189 0.000 0.894 99 L HN 0.054 nan 8.230 nan 0.000 0.432 100 K N -0.195 120.245 120.400 0.067 0.000 2.148 100 K HA -0.158 4.162 4.320 -0.000 0.000 0.204 100 K C 2.239 178.884 176.600 0.076 0.000 1.050 100 K CA 1.191 57.544 56.287 0.109 0.000 0.942 100 K CB -0.408 32.182 32.500 0.151 0.000 0.724 100 K HN 0.296 nan 8.250 nan 0.000 0.446 101 R N 1.775 122.301 120.500 0.043 0.000 2.070 101 R HA -0.058 4.281 4.340 -0.000 0.000 0.233 101 R C 2.071 178.381 176.300 0.017 0.000 1.137 101 R CA 2.020 58.135 56.100 0.025 0.000 0.945 101 R CB -0.977 29.328 30.300 0.008 0.000 0.845 101 R HN 0.094 nan 8.270 nan 0.000 0.430 102 A N 0.538 123.353 122.820 -0.008 0.000 1.883 102 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 102 A C 2.470 180.057 177.584 0.004 0.000 1.186 102 A CA 2.193 54.213 52.037 -0.028 0.000 0.624 102 A CB -1.273 17.678 19.000 -0.082 0.000 0.822 102 A HN 0.570 nan 8.150 nan 0.000 0.444 103 A N -0.315 122.535 122.820 0.050 0.000 1.902 103 A HA 0.170 4.489 4.320 -0.000 0.000 0.217 103 A C 2.520 180.231 177.584 0.212 0.000 1.181 103 A CA 2.147 54.292 52.037 0.179 0.000 0.623 103 A CB -1.040 18.121 19.000 0.268 0.000 0.818 103 A HN 1.081 nan 8.150 nan 0.000 0.443 104 A N -0.452 122.451 122.820 0.137 0.000 1.877 104 A HA -0.208 4.111 4.320 -0.000 0.000 0.216 104 A C 2.061 179.696 177.584 0.086 0.000 1.186 104 A CA 1.825 53.929 52.037 0.112 0.000 0.620 104 A CB -0.611 18.436 19.000 0.077 0.000 0.822 104 A HN 0.640 nan 8.150 nan 0.000 0.443 105 E N -0.348 119.886 120.200 0.056 0.000 2.077 105 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 105 E C 1.931 178.551 176.600 0.035 0.000 0.989 105 E CA 1.449 57.867 56.400 0.030 0.000 0.800 105 E CB -0.105 29.600 29.700 0.008 0.000 0.746 105 E HN 0.338 nan 8.360 nan 0.000 0.452 106 V N 1.912 121.865 119.914 0.066 0.000 2.427 106 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 106 V C 1.918 178.111 176.094 0.165 0.000 1.051 106 V CA 1.576 63.931 62.300 0.092 0.000 1.048 106 V CB -0.516 31.361 31.823 0.090 0.000 0.666 106 V HN 0.299 nan 8.190 nan 0.000 0.456 107 N N -0.042 118.814 118.700 0.261 0.000 2.520 107 N HA -0.143 4.596 4.740 -0.000 0.000 0.185 107 N C 1.848 177.428 175.510 0.118 0.000 1.068 107 N CA 0.786 54.005 53.050 0.282 0.000 0.911 107 N CB -0.193 38.444 38.487 0.249 0.000 0.961 107 N HN 0.612 nan 8.380 nan 0.000 0.446 108 Q N 0.279 120.103 119.800 0.039 0.000 2.181 108 Q HA -0.133 4.207 4.340 -0.000 0.000 0.205 108 Q C 0.732 176.682 176.000 -0.085 0.000 0.980 108 Q CA 1.084 56.879 55.803 -0.014 0.000 0.862 108 Q CB 0.012 28.737 28.738 -0.022 0.000 0.905 108 Q HN 0.312 nan 8.270 nan 0.000 0.429 109 D N -0.647 119.625 120.400 -0.213 0.000 2.263 109 D HA -0.132 4.508 4.640 -0.000 0.000 0.208 109 D C 0.198 176.201 176.300 -0.495 0.000 0.971 109 D CA 1.140 54.872 54.000 -0.448 0.000 0.867 109 D CB 0.087 40.428 40.800 -0.764 0.000 0.929 109 D HN 0.347 nan 8.370 nan 0.000 0.492 110 Y N -1.154 119.176 120.300 0.050 0.000 2.734 110 Y HA 0.458 5.008 4.550 -0.000 0.000 0.278 110 Y C 1.579 177.490 175.900 0.018 0.000 1.108 110 Y CA -0.392 57.726 58.100 0.030 0.000 1.211 110 Y CB 0.844 39.319 38.460 0.024 0.000 1.182 110 Y HN -0.023 nan 8.280 nan 0.000 0.547 111 G N -0.053 108.807 108.800 0.099 0.000 2.176 111 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.232 111 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.232 111 G C -0.198 174.737 174.900 0.059 0.000 0.986 111 G CA -0.287 44.855 45.100 0.069 0.000 0.643 111 G HN 0.220 nan 8.290 nan 0.000 0.522 112 L N 2.393 123.656 121.223 0.068 0.000 2.477 112 L HA 0.528 4.868 4.340 -0.000 0.000 0.272 112 L C 0.536 177.407 176.870 0.000 0.000 1.157 112 L CA -0.430 54.438 54.840 0.046 0.000 0.889 112 L CB 0.395 42.495 42.059 0.068 0.000 1.158 112 L HN 0.301 nan 8.230 nan 0.000 0.473 113 D N 6.935 127.315 120.400 -0.033 0.000 2.520 113 D HA 0.016 4.655 4.640 -0.000 0.000 0.243 113 D C -1.621 174.649 176.300 -0.049 0.000 1.160 113 D CA -0.682 53.290 54.000 -0.046 0.000 0.877 113 D CB 1.105 41.863 40.800 -0.070 0.000 1.150 113 D HN 0.443 nan 8.370 nan 0.000 0.494 114 P HA -0.232 nan 4.420 nan 0.000 0.216 114 P C 1.209 178.490 177.300 -0.031 0.000 1.154 114 P CA 2.338 65.422 63.100 -0.026 0.000 0.865 114 P CB -0.007 31.681 31.700 -0.021 0.000 0.789 115 K N -0.299 120.080 120.400 -0.036 0.000 2.148 115 K HA -0.099 4.221 4.320 -0.000 0.000 0.204 115 K C 1.881 178.452 176.600 -0.048 0.000 1.050 115 K CA 1.514 57.780 56.287 -0.035 0.000 0.942 115 K CB -1.521 30.960 32.500 -0.030 0.000 0.724 115 K HN 0.073 nan 8.250 nan 0.000 0.446 116 I N 0.858 121.380 120.570 -0.079 0.000 2.286 116 I HA -0.072 4.098 4.170 -0.000 0.000 0.245 116 I C 2.915 178.992 176.117 -0.067 0.000 1.104 116 I CA 1.462 62.694 61.300 -0.113 0.000 1.397 116 I CB -1.204 36.636 38.000 -0.267 0.000 1.072 116 I HN 0.378 nan 8.210 nan 0.000 0.417 117 A N 1.248 124.039 122.820 -0.049 0.000 1.933 117 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 117 A C 2.123 179.704 177.584 -0.006 0.000 1.175 117 A CA 1.568 53.598 52.037 -0.012 0.000 0.628 117 A CB -0.640 18.360 19.000 -0.000 0.000 0.814 117 A HN 0.427 nan 8.150 nan 0.000 0.444 118 N N 0.352 119.043 118.700 -0.014 0.000 2.142 118 N HA -0.105 4.635 4.740 -0.000 0.000 0.186 118 N C 2.004 177.507 175.510 -0.012 0.000 1.023 118 N CA 1.421 54.464 53.050 -0.011 0.000 0.852 118 N CB -0.444 38.035 38.487 -0.014 0.000 0.998 118 N HN 0.460 nan 8.380 nan 0.000 0.424 119 A N 1.716 124.526 122.820 -0.017 0.000 1.883 119 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 119 A C 2.330 179.905 177.584 -0.014 0.000 1.186 119 A CA 0.996 53.022 52.037 -0.018 0.000 0.624 119 A CB -0.731 18.257 19.000 -0.020 0.000 0.822 119 A HN 0.195 nan 8.150 nan 0.000 0.444 120 I N -0.818 119.750 120.570 -0.002 0.000 2.208 120 I HA -0.334 3.836 4.170 -0.000 0.000 0.245 120 I C 2.748 178.875 176.117 0.016 0.000 1.097 120 I CA 1.722 63.031 61.300 0.016 0.000 1.363 120 I CB -0.351 37.674 38.000 0.041 0.000 1.051 120 I HN 0.370 nan 8.210 nan 0.000 0.413 121 M N 0.066 119.673 119.600 0.012 0.000 2.080 121 M HA -0.248 4.232 4.480 -0.000 0.000 0.260 121 M C 2.332 178.632 176.300 0.000 0.000 1.068 121 M CA 1.896 57.201 55.300 0.010 0.000 1.109 121 M CB -0.405 32.199 32.600 0.006 0.000 1.342 121 M HN 0.073 nan 8.290 nan 0.000 0.405 122 K N 0.191 120.587 120.400 -0.008 0.000 2.002 122 K HA -0.119 4.201 4.320 -0.000 0.000 0.209 122 K C 2.120 178.704 176.600 -0.027 0.000 1.048 122 K CA 1.567 57.844 56.287 -0.017 0.000 0.930 122 K CB -0.259 32.228 32.500 -0.022 0.000 0.714 122 K HN 0.305 nan 8.250 nan 0.000 0.438 123 A N 1.275 124.072 122.820 -0.038 0.000 1.902 123 A HA -0.137 4.182 4.320 -0.000 0.000 0.217 123 A C 2.329 179.898 177.584 -0.025 0.000 1.181 123 A CA 1.914 53.913 52.037 -0.064 0.000 0.623 123 A CB -0.751 18.200 19.000 -0.083 0.000 0.818 123 A HN 0.380 nan 8.150 nan 0.000 0.443 124 A N 0.157 122.980 122.820 0.005 0.000 1.883 124 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 124 A C 1.782 179.378 177.584 0.021 0.000 1.186 124 A CA 2.089 54.144 52.037 0.031 0.000 0.624 124 A CB -0.736 18.288 19.000 0.040 0.000 0.822 124 A HN 0.465 nan 8.150 nan 0.000 0.444 125 D N -0.254 120.151 120.400 0.007 0.000 2.123 125 D HA -0.153 4.487 4.640 -0.000 0.000 0.196 125 D C 1.962 178.266 176.300 0.007 0.000 0.992 125 D CA 1.591 55.594 54.000 0.004 0.000 0.833 125 D CB -0.413 40.386 40.800 -0.001 0.000 0.954 125 D HN 0.683 nan 8.370 nan 0.000 0.455 126 E N 0.116 120.317 120.200 0.001 0.000 2.110 126 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 126 E C 2.313 178.934 176.600 0.036 0.000 0.988 126 E CA 0.552 56.956 56.400 0.008 0.000 0.804 126 E CB 0.088 29.774 29.700 -0.023 0.000 0.745 126 E HN 0.107 nan 8.360 nan 0.000 0.458 127 V N 1.675 121.616 119.914 0.046 0.000 2.255 127 V HA -0.310 3.810 4.120 -0.000 0.000 0.247 127 V C 2.418 178.521 176.094 0.015 0.000 1.051 127 V CA 2.021 64.362 62.300 0.068 0.000 1.018 127 V CB -0.833 31.047 31.823 0.095 0.000 0.641 127 V HN 0.331 nan 8.190 nan 0.000 0.445 128 A N -0.461 122.365 122.820 0.010 0.000 1.908 128 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 128 A C 2.079 179.664 177.584 0.002 0.000 1.181 128 A CA 1.922 53.957 52.037 -0.003 0.000 0.627 128 A CB -0.523 18.475 19.000 -0.003 0.000 0.818 128 A HN 0.643 nan 8.150 nan 0.000 0.445 129 E N -1.442 118.766 120.200 0.012 0.000 2.511 129 E HA 0.233 4.583 4.350 -0.000 0.000 0.196 129 E C 0.999 177.614 176.600 0.026 0.000 1.066 129 E CA 0.286 56.696 56.400 0.017 0.000 0.871 129 E CB -0.202 29.509 29.700 0.019 0.000 0.863 129 E HN 0.773 nan 8.360 nan 0.000 0.520 130 G N 1.752 110.571 108.800 0.031 0.000 2.160 130 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.244 130 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.244 130 G C 0.614 175.559 174.900 0.075 0.000 1.022 130 G CA 0.492 45.619 45.100 0.045 0.000 0.741 130 G HN 0.255 nan 8.290 nan 0.000 0.508 131 K N -0.796 119.656 120.400 0.087 0.000 2.404 131 K HA 0.469 4.789 4.320 -0.000 0.000 0.194 131 K C 1.466 178.174 176.600 0.181 0.000 1.023 131 K CA 0.303 56.655 56.287 0.107 0.000 1.094 131 K CB 0.341 32.884 32.500 0.072 0.000 0.841 131 K HN 0.451 nan 8.250 nan 0.000 0.523 132 L N 0.492 121.861 121.223 0.244 0.000 3.358 132 L HA 0.169 4.509 4.340 -0.000 0.000 0.301 132 L C 0.432 177.637 176.870 0.559 0.000 1.276 132 L CA -0.258 54.851 54.840 0.449 0.000 1.028 132 L CB 0.370 42.650 42.059 0.368 0.000 1.421 132 L HN 0.020 nan 8.230 nan 0.000 0.604 133 N N 0.830 119.731 118.700 0.336 0.000 2.137 133 N HA -0.196 4.544 4.740 -0.000 0.000 0.190 133 N C 0.982 176.684 175.510 0.321 0.000 1.017 133 N CA 1.523 54.751 53.050 0.296 0.000 0.859 133 N CB 0.017 38.588 38.487 0.141 0.000 1.002 133 N HN 0.303 nan 8.380 nan 0.000 0.428 134 D N -0.187 120.307 120.400 0.156 0.000 2.392 134 D HA -0.068 4.572 4.640 -0.000 0.000 0.228 134 D C 0.568 176.766 176.300 -0.170 0.000 1.003 134 D CA 0.630 54.602 54.000 -0.046 0.000 0.917 134 D CB -0.206 40.477 40.800 -0.194 0.000 0.890 134 D HN 0.501 nan 8.370 nan 0.000 0.532 135 H N -0.916 118.275 119.070 0.202 0.000 2.507 135 H HA 0.163 4.719 4.556 -0.000 0.000 0.294 135 H C -0.330 174.783 175.328 -0.359 0.000 1.064 135 H CA -0.019 56.044 56.048 0.025 0.000 1.138 135 H CB -0.144 29.575 29.762 -0.071 0.000 1.515 135 H HN 0.048 nan 8.280 nan 0.000 0.547 136 F N 1.973 122.030 119.950 0.179 0.000 2.691 136 F HA 0.269 4.796 4.527 -0.000 0.000 0.371 136 F C -1.938 173.847 175.800 -0.024 0.000 1.159 136 F CA -1.851 56.179 58.000 0.049 0.000 1.174 136 F CB 1.839 40.867 39.000 0.046 0.000 1.419 136 F HN -0.063 nan 8.300 nan 0.000 0.514 137 P HA 0.080 nan 4.420 nan 0.000 0.255 137 P C 0.029 177.306 177.300 -0.039 0.000 1.248 137 P CA 0.559 63.626 63.100 -0.055 0.000 0.807 137 P CB 0.670 32.257 31.700 -0.189 0.000 1.150 138 L N 0.885 122.092 121.223 -0.025 0.000 2.375 138 L HA 0.256 4.596 4.340 -0.000 0.000 0.271 138 L C 1.038 177.886 176.870 -0.036 0.000 1.107 138 L CA -1.079 53.740 54.840 -0.035 0.000 0.806 138 L CB 1.350 43.375 42.059 -0.057 0.000 1.146 138 L HN -0.205 nan 8.230 nan 0.000 0.447 139 V N 0.956 120.844 119.914 -0.044 0.000 3.036 139 V HA 0.204 4.324 4.120 -0.000 0.000 0.308 139 V C 1.167 177.102 176.094 -0.264 0.000 1.070 139 V CA -0.722 61.526 62.300 -0.087 0.000 1.056 139 V CB 1.493 33.349 31.823 0.056 0.000 1.084 139 V HN 0.577 nan 8.190 nan 0.000 0.471 140 V N 0.556 120.156 119.914 -0.524 0.000 2.469 140 V HA -0.165 3.955 4.120 -0.000 0.000 0.251 140 V C 1.241 176.835 176.094 -0.834 0.000 1.064 140 V CA 1.856 63.654 62.300 -0.837 0.000 1.066 140 V CB -0.859 30.176 31.823 -1.313 0.000 0.667 140 V HN 0.979 nan 8.190 nan 0.000 0.461 141 W N 1.855 123.104 121.300 -0.086 0.000 1.496 141 W HA 0.409 5.069 4.660 -0.000 0.000 0.422 141 W C 0.924 177.336 176.519 -0.179 0.000 0.638 141 W CA -0.738 56.556 57.345 -0.086 0.000 2.105 141 W CB -0.635 28.821 29.460 -0.007 0.000 1.639 141 W HN 0.392 nan 8.180 nan 0.000 0.304 142 Q N -0.564 119.027 119.800 -0.348 0.000 3.018 142 Q HA 0.529 4.869 4.340 -0.000 0.000 0.209 142 Q C 0.607 176.182 176.000 -0.708 0.000 1.036 142 Q CA -0.912 54.298 55.803 -0.989 0.000 0.886 142 Q CB -0.089 28.120 28.738 -0.883 0.000 2.058 142 Q HN 0.042 nan 8.270 nan 0.000 0.452 143 T N -2.343 111.786 114.554 -0.708 0.000 2.937 143 T HA 0.167 4.517 4.350 -0.000 0.000 0.316 143 T C 1.110 175.622 174.700 -0.315 0.000 1.079 143 T CA -0.047 61.863 62.100 -0.316 0.000 1.131 143 T CB 0.555 69.308 68.868 -0.192 0.000 1.000 143 T HN 0.742 nan 8.240 nan 0.000 0.549 144 G N 0.620 109.281 108.800 -0.231 0.000 2.650 144 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.214 144 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.214 144 G C 1.522 176.290 174.900 -0.221 0.000 1.136 144 G CA 0.369 45.324 45.100 -0.242 0.000 0.789 144 G HN 0.952 nan 8.290 nan 0.000 0.536 145 S N -0.554 115.025 115.700 -0.201 0.000 2.593 145 S HA 0.328 4.798 4.470 -0.000 0.000 0.217 145 S C 1.824 176.168 174.600 -0.427 0.000 0.966 145 S CA 0.785 58.878 58.200 -0.180 0.000 0.914 145 S CB -0.080 63.087 63.200 -0.056 0.000 0.776 145 S HN 1.318 nan 8.310 nan 0.000 0.523 146 G N 1.108 109.519 108.800 -0.648 0.000 2.249 146 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.273 146 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.273 146 G C 0.613 175.329 174.900 -0.306 0.000 1.036 146 G CA 0.694 45.296 45.100 -0.830 0.000 0.824 146 G HN 0.485 nan 8.290 nan 0.000 0.504 147 T N -0.139 114.303 114.554 -0.188 0.000 2.720 147 T HA -0.144 4.206 4.350 -0.000 0.000 0.268 147 T C 2.410 177.075 174.700 -0.059 0.000 1.037 147 T CA 2.109 64.175 62.100 -0.057 0.000 1.144 147 T CB -0.120 68.729 68.868 -0.033 0.000 0.864 147 T HN 0.505 nan 8.240 nan 0.000 0.444 148 Q N 0.535 120.265 119.800 -0.118 0.000 2.084 148 Q HA -0.045 4.295 4.340 -0.000 0.000 0.202 148 Q C 2.629 178.576 176.000 -0.087 0.000 0.978 148 Q CA 1.525 57.274 55.803 -0.090 0.000 0.844 148 Q CB -0.839 27.817 28.738 -0.137 0.000 0.898 148 Q HN 0.395 nan 8.270 nan 0.000 0.426 149 T N 0.521 115.012 114.554 -0.106 0.000 2.788 149 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 149 T C 1.573 176.096 174.700 -0.294 0.000 1.044 149 T CA 1.387 63.422 62.100 -0.108 0.000 1.139 149 T CB -0.379 68.495 68.868 0.010 0.000 0.867 149 T HN 0.324 nan 8.240 nan 0.000 0.454 150 N N 0.915 119.478 118.700 -0.229 0.000 2.120 150 N HA -0.036 4.704 4.740 -0.000 0.000 0.188 150 N C 1.814 177.248 175.510 -0.127 0.000 1.024 150 N CA 1.520 54.413 53.050 -0.260 0.000 0.852 150 N CB -0.280 38.283 38.487 0.125 0.000 1.003 150 N HN 0.373 nan 8.380 nan 0.000 0.424 151 M N -0.192 119.376 119.600 -0.053 0.000 2.086 151 M HA -0.123 4.357 4.480 -0.000 0.000 0.261 151 M C 2.108 178.397 176.300 -0.018 0.000 1.067 151 M CA 1.359 56.652 55.300 -0.013 0.000 1.116 151 M CB -0.534 32.069 32.600 0.006 0.000 1.348 151 M HN 0.315 nan 8.290 nan 0.000 0.407 152 N N 0.142 118.822 118.700 -0.032 0.000 2.037 152 N HA -0.200 4.540 4.740 -0.000 0.000 0.196 152 N C 1.492 177.023 175.510 0.034 0.000 1.034 152 N CA 1.686 54.728 53.050 -0.014 0.000 0.861 152 N CB 0.092 38.600 38.487 0.036 0.000 1.039 152 N HN 0.054 nan 8.380 nan 0.000 0.427 153 V N 1.389 121.346 119.914 0.071 0.000 2.255 153 V HA -0.252 3.867 4.120 -0.000 0.000 0.247 153 V C 1.958 178.104 176.094 0.087 0.000 1.051 153 V CA 1.686 64.073 62.300 0.145 0.000 1.018 153 V CB -0.762 30.955 31.823 -0.178 0.000 0.641 153 V HN 0.445 nan 8.190 nan 0.000 0.445 154 N N -0.024 118.698 118.700 0.036 0.000 2.104 154 N HA -0.167 4.573 4.740 -0.000 0.000 0.190 154 N C 1.863 177.395 175.510 0.036 0.000 1.024 154 N CA 1.536 54.618 53.050 0.052 0.000 0.853 154 N CB -0.274 38.243 38.487 0.050 0.000 1.008 154 N HN 0.611 nan 8.380 nan 0.000 0.424 155 E N 0.199 120.411 120.200 0.020 0.000 2.047 155 E HA -0.085 4.265 4.350 -0.000 0.000 0.191 155 E C 2.013 178.621 176.600 0.014 0.000 0.987 155 E CA 0.791 57.200 56.400 0.014 0.000 0.799 155 E CB -0.043 29.674 29.700 0.029 0.000 0.752 155 E HN 0.033 nan 8.360 nan 0.000 0.449 156 V N 1.796 121.705 119.914 -0.007 0.000 2.255 156 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 156 V C 2.317 178.379 176.094 -0.054 0.000 1.051 156 V CA 1.713 63.984 62.300 -0.047 0.000 1.018 156 V CB -0.399 31.314 31.823 -0.183 0.000 0.641 156 V HN 0.277 nan 8.190 nan 0.000 0.445 157 I N -0.052 120.519 120.570 0.002 0.000 2.226 157 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 157 I C 2.743 178.852 176.117 -0.013 0.000 1.100 157 I CA 1.822 63.118 61.300 -0.007 0.000 1.374 157 I CB -0.534 37.498 38.000 0.052 0.000 1.057 157 I HN 0.409 nan 8.210 nan 0.000 0.413 158 S N 1.385 117.095 115.700 0.015 0.000 2.359 158 S HA -0.233 4.236 4.470 -0.000 0.000 0.223 158 S C 1.909 176.517 174.600 0.014 0.000 1.039 158 S CA 1.997 60.213 58.200 0.026 0.000 1.042 158 S CB -0.288 62.923 63.200 0.018 0.000 0.915 158 S HN 0.416 nan 8.310 nan 0.000 0.439 159 N N 0.758 119.468 118.700 0.016 0.000 2.270 159 N HA 0.007 4.747 4.740 -0.000 0.000 0.181 159 N C 1.913 177.458 175.510 0.058 0.000 1.016 159 N CA 0.777 53.866 53.050 0.065 0.000 0.870 159 N CB -0.511 38.048 38.487 0.121 0.000 0.979 159 N HN 0.336 nan 8.380 nan 0.000 0.431 160 R N 1.553 121.967 120.500 -0.144 0.000 2.075 160 R HA 0.120 4.460 4.340 -0.000 0.000 0.232 160 R C 1.864 178.079 176.300 -0.143 0.000 1.126 160 R CA 1.494 57.376 56.100 -0.363 0.000 0.963 160 R CB -0.920 28.971 30.300 -0.682 0.000 0.858 160 R HN 0.135 nan 8.270 nan 0.000 0.435 161 A N 0.335 123.105 122.820 -0.083 0.000 1.930 161 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 161 A C 2.348 179.926 177.584 -0.010 0.000 1.175 161 A CA 1.463 53.478 52.037 -0.037 0.000 0.627 161 A CB -0.572 18.421 19.000 -0.012 0.000 0.815 161 A HN 0.359 nan 8.150 nan 0.000 0.443 162 I N -0.513 120.062 120.570 0.008 0.000 2.163 162 I HA -0.301 3.869 4.170 -0.000 0.000 0.243 162 I C 2.610 178.741 176.117 0.023 0.000 1.085 162 I CA 1.976 63.290 61.300 0.024 0.000 1.347 162 I CB -0.231 37.790 38.000 0.035 0.000 1.044 162 I HN 0.563 nan 8.210 nan 0.000 0.408 163 E N 0.871 121.091 120.200 0.033 0.000 2.077 163 E HA -0.264 4.086 4.350 -0.000 0.000 0.193 163 E C 2.337 178.949 176.600 0.021 0.000 0.989 163 E CA 1.414 57.841 56.400 0.045 0.000 0.800 163 E CB -0.060 29.703 29.700 0.104 0.000 0.746 163 E HN 0.409 nan 8.360 nan 0.000 0.452 164 M N 0.207 119.806 119.600 -0.001 0.000 2.213 164 M HA -0.142 4.338 4.480 -0.000 0.000 0.263 164 M C 2.036 178.335 176.300 -0.001 0.000 1.062 164 M CA 1.178 56.474 55.300 -0.007 0.000 1.105 164 M CB -0.005 32.582 32.600 -0.022 0.000 1.385 164 M HN 0.170 nan 8.290 nan 0.000 0.417 165 L N -0.879 120.345 121.223 0.000 0.000 2.558 165 L HA 0.200 4.539 4.340 -0.000 0.000 0.225 165 L C 1.083 177.957 176.870 0.007 0.000 1.128 165 L CA 0.190 55.031 54.840 0.002 0.000 0.868 165 L CB -0.226 41.833 42.059 -0.000 0.000 1.006 165 L HN 0.592 nan 8.230 nan 0.000 0.454 166 G N 0.192 108.999 108.800 0.012 0.000 2.164 166 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.212 166 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.212 166 G C 0.295 175.204 174.900 0.016 0.000 1.031 166 G CA -0.183 44.926 45.100 0.014 0.000 0.730 166 G HN 0.485 nan 8.290 nan 0.000 0.501 167 G N -1.292 107.520 108.800 0.020 0.000 2.642 167 G HA2 0.894 4.854 3.960 -0.000 0.000 0.291 167 G HA3 0.894 4.854 3.960 -0.000 0.000 0.291 167 G C -0.097 174.816 174.900 0.021 0.000 1.345 167 G CA 0.624 45.737 45.100 0.022 0.000 1.043 167 G HN 1.276 nan 8.290 nan 0.000 0.528 168 E N -0.090 120.122 120.200 0.020 0.000 2.200 168 E HA 0.526 4.876 4.350 -0.000 0.000 0.283 168 E C 0.303 176.912 176.600 0.014 0.000 1.015 168 E CA -0.701 55.708 56.400 0.015 0.000 0.819 168 E CB 0.589 30.298 29.700 0.014 0.000 1.081 168 E HN 0.507 nan 8.360 nan 0.000 0.397 169 L N 1.796 123.022 121.223 0.007 0.000 2.525 169 L HA 0.336 4.675 4.340 -0.000 0.000 0.278 169 L C 1.807 178.670 176.870 -0.011 0.000 1.218 169 L CA 1.464 56.303 54.840 -0.001 0.000 0.878 169 L CB 0.447 42.487 42.059 -0.032 0.000 1.127 169 L HN 1.116 nan 8.230 nan 0.000 0.492 170 G N 1.430 110.225 108.800 -0.009 0.000 2.176 170 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.253 170 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.253 170 G C 0.915 175.816 174.900 0.002 0.000 0.979 170 G CA 0.599 45.693 45.100 -0.009 0.000 0.641 170 G HN 0.758 nan 8.290 nan 0.000 0.530 171 S N -0.224 115.480 115.700 0.006 0.000 2.503 171 S HA 0.256 4.726 4.470 -0.000 0.000 0.217 171 S C 1.368 175.972 174.600 0.006 0.000 0.999 171 S CA 1.188 59.398 58.200 0.017 0.000 0.914 171 S CB -0.136 63.079 63.200 0.026 0.000 0.782 171 S HN 0.968 nan 8.310 nan 0.000 0.520 172 K N -0.017 120.369 120.400 -0.023 0.000 3.349 172 K HA -0.148 4.172 4.320 -0.000 0.000 0.310 172 K C -0.741 175.895 176.600 0.061 0.000 1.267 172 K CA 1.170 57.422 56.287 -0.059 0.000 0.920 172 K CB -1.969 30.408 32.500 -0.206 0.000 1.240 172 K HN 0.553 nan 8.250 nan 0.000 0.453 173 I N 0.470 121.080 120.570 0.066 0.000 2.499 173 I HA 0.183 4.353 4.170 -0.000 0.000 0.288 173 I C -1.774 174.384 176.117 0.068 0.000 1.048 173 I CA -2.175 59.179 61.300 0.089 0.000 1.062 173 I CB 2.118 40.161 38.000 0.072 0.000 1.238 173 I HN -0.232 nan 8.210 nan 0.000 0.426 174 P HA 0.085 nan 4.420 nan 0.000 0.255 174 P C -0.034 177.369 177.300 0.172 0.000 1.248 174 P CA 0.325 63.486 63.100 0.102 0.000 0.807 174 P CB 0.427 32.157 31.700 0.049 0.000 1.150 175 V N 2.073 122.088 119.914 0.169 0.000 2.328 175 V HA 0.200 4.320 4.120 -0.000 0.000 0.278 175 V C 0.228 176.489 176.094 0.278 0.000 1.021 175 V CA -0.840 61.621 62.300 0.270 0.000 0.838 175 V CB 0.691 32.588 31.823 0.123 0.000 0.999 175 V HN 0.204 nan 8.190 nan 0.000 0.447 176 H N 7.723 126.965 119.070 0.285 0.000 2.620 176 H HA 0.258 4.814 4.556 -0.000 0.000 0.313 176 H C -1.891 173.446 175.328 0.016 0.000 1.075 176 H CA -1.832 54.224 56.048 0.013 0.000 1.397 176 H CB 2.418 32.032 29.762 -0.246 0.000 1.446 176 H HN 0.335 nan 8.280 nan 0.000 0.493 177 P HA -0.177 nan 4.420 nan 0.000 0.215 177 P C 1.173 178.545 177.300 0.120 0.000 1.157 177 P CA 1.385 64.492 63.100 0.012 0.000 0.874 177 P CB 0.500 32.159 31.700 -0.069 0.000 0.790 178 N N -0.961 117.886 118.700 0.245 0.000 2.197 178 N HA -0.102 4.638 4.740 -0.000 0.000 0.184 178 N C 1.286 176.861 175.510 0.109 0.000 1.030 178 N CA 1.403 54.567 53.050 0.191 0.000 0.851 178 N CB -0.743 37.852 38.487 0.180 0.000 1.003 178 N HN -0.145 nan 8.380 nan 0.000 0.430 179 D N -1.060 119.357 120.400 0.028 0.000 2.178 179 D HA -0.094 4.546 4.640 -0.000 0.000 0.201 179 D C 1.292 177.495 176.300 -0.162 0.000 0.980 179 D CA 1.313 55.161 54.000 -0.253 0.000 0.842 179 D CB -0.180 40.238 40.800 -0.637 0.000 0.948 179 D HN 0.609 nan 8.370 nan 0.000 0.472 180 H N -1.060 118.072 119.070 0.104 0.000 2.393 180 H HA 0.160 4.716 4.556 -0.000 0.000 0.301 180 H C 2.174 177.555 175.328 0.087 0.000 1.019 180 H CA 0.113 56.211 56.048 0.083 0.000 1.311 180 H CB 0.346 30.161 29.762 0.088 0.000 1.475 180 H HN -0.142 nan 8.280 nan 0.000 0.572 181 V N 1.197 121.243 119.914 0.220 0.000 2.427 181 V HA -0.178 3.942 4.120 -0.000 0.000 0.248 181 V C 1.475 177.656 176.094 0.145 0.000 1.051 181 V CA 1.813 64.209 62.300 0.161 0.000 1.048 181 V CB -0.349 31.551 31.823 0.129 0.000 0.666 181 V HN 0.374 nan 8.190 nan 0.000 0.456 182 N N 0.035 118.811 118.700 0.127 0.000 2.322 182 N HA 0.016 4.755 4.740 -0.000 0.000 0.194 182 N C 0.689 176.240 175.510 0.070 0.000 1.126 182 N CA 0.038 53.153 53.050 0.109 0.000 0.845 182 N CB -0.167 38.377 38.487 0.094 0.000 0.976 182 N HN 0.420 nan 8.380 nan 0.000 0.475 183 K N 0.358 120.798 120.400 0.067 0.000 2.511 183 K HA -0.061 4.258 4.320 -0.000 0.000 0.280 183 K C 0.078 176.614 176.600 -0.106 0.000 1.008 183 K CA 0.774 57.063 56.287 0.003 0.000 1.050 183 K CB 0.131 32.665 32.500 0.057 0.000 0.889 183 K HN 0.175 nan 8.250 nan 0.000 0.484 184 S N 1.042 116.596 115.700 -0.244 0.000 3.084 184 S HA -0.201 4.268 4.470 -0.000 0.000 0.277 184 S C -0.588 173.777 174.600 -0.391 0.000 1.295 184 S CA 1.289 59.157 58.200 -0.554 0.000 1.170 184 S CB -1.166 61.245 63.200 -1.314 0.000 1.412 184 S HN 0.821 nan 8.310 nan 0.000 0.669 185 Q N 0.031 119.766 119.800 -0.108 0.000 2.359 185 Q HA 0.786 5.126 4.340 -0.000 0.000 0.275 185 Q C -0.354 175.668 176.000 0.036 0.000 1.082 185 Q CA -0.480 55.347 55.803 0.039 0.000 0.849 185 Q CB 2.107 30.923 28.738 0.129 0.000 1.377 185 Q HN 0.188 nan 8.270 nan 0.000 0.452 186 S N -0.872 114.870 115.700 0.070 0.000 2.599 186 S HA 0.317 4.786 4.470 -0.000 0.000 0.294 186 S C 0.242 174.907 174.600 0.110 0.000 1.094 186 S CA -0.552 57.689 58.200 0.069 0.000 0.931 186 S CB 1.718 64.949 63.200 0.052 0.000 1.093 186 S HN 0.584 nan 8.310 nan 0.000 0.488 187 S N 2.454 118.220 115.700 0.110 0.000 2.419 187 S HA -0.089 4.381 4.470 -0.000 0.000 0.233 187 S C 1.508 176.199 174.600 0.151 0.000 1.016 187 S CA 1.239 59.527 58.200 0.146 0.000 0.974 187 S CB -0.465 62.796 63.200 0.103 0.000 0.786 187 S HN 0.732 nan 8.310 nan 0.000 0.492 188 N N 1.967 120.733 118.700 0.109 0.000 2.270 188 N HA -0.080 4.660 4.740 -0.000 0.000 0.181 188 N C 1.171 176.745 175.510 0.107 0.000 1.016 188 N CA 1.372 54.485 53.050 0.105 0.000 0.870 188 N CB -0.295 38.240 38.487 0.080 0.000 0.979 188 N HN 0.628 nan 8.380 nan 0.000 0.431 189 D N -1.055 119.399 120.400 0.090 0.000 2.389 189 D HA 0.003 4.643 4.640 -0.000 0.000 0.206 189 D C 1.470 177.798 176.300 0.047 0.000 1.055 189 D CA 0.627 54.663 54.000 0.061 0.000 0.856 189 D CB -0.600 40.225 40.800 0.042 0.000 0.957 189 D HN 0.231 nan 8.370 nan 0.000 0.509 190 T N -2.037 112.574 114.554 0.096 0.000 2.852 190 T HA -0.004 4.346 4.350 -0.000 0.000 0.256 190 T C 1.878 176.527 174.700 -0.084 0.000 1.038 190 T CA 0.262 62.394 62.100 0.052 0.000 1.141 190 T CB -1.024 67.987 68.868 0.239 0.000 0.869 190 T HN 0.047 nan 8.240 nan 0.000 0.439 191 F N 3.702 123.653 119.950 0.001 0.000 2.069 191 F HA 0.065 4.591 4.527 -0.000 0.000 0.298 191 F C -0.895 174.785 175.800 -0.199 0.000 1.113 191 F CA 1.049 59.017 58.000 -0.052 0.000 1.214 191 F CB -0.973 38.086 39.000 0.099 0.000 0.978 191 F HN 0.161 nan 8.300 nan 0.000 0.474 192 P HA -0.151 nan 4.420 nan 0.000 0.216 192 P C 1.633 178.714 177.300 -0.365 0.000 1.150 192 P CA 2.393 65.389 63.100 -0.172 0.000 0.843 192 P CB -0.311 31.402 31.700 0.020 0.000 0.787 193 T N -0.365 114.008 114.554 -0.301 0.000 2.674 193 T HA -0.153 4.196 4.350 -0.000 0.000 0.265 193 T C 1.933 176.381 174.700 -0.420 0.000 1.039 193 T CA 1.784 63.697 62.100 -0.311 0.000 1.150 193 T CB -1.057 67.655 68.868 -0.260 0.000 0.864 193 T HN 0.056 nan 8.240 nan 0.000 0.427 194 A N 1.454 123.893 122.820 -0.636 0.000 1.940 194 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 194 A C 2.352 179.600 177.584 -0.561 0.000 1.176 194 A CA 1.605 53.180 52.037 -0.769 0.000 0.631 194 A CB -0.730 17.377 19.000 -1.488 0.000 0.814 194 A HN 0.477 nan 8.150 nan 0.000 0.446 195 M N -1.665 117.595 119.600 -0.568 0.000 2.086 195 M HA -0.165 4.315 4.480 -0.000 0.000 0.261 195 M C 2.134 178.395 176.300 -0.065 0.000 1.067 195 M CA 1.797 56.885 55.300 -0.353 0.000 1.116 195 M CB -0.721 31.675 32.600 -0.339 0.000 1.348 195 M HN 0.592 nan 8.290 nan 0.000 0.407 196 H N -0.156 118.817 119.070 -0.161 0.000 2.395 196 H HA -0.019 4.537 4.556 -0.000 0.000 0.299 196 H C 2.193 177.554 175.328 0.054 0.000 1.070 196 H CA 0.953 56.984 56.048 -0.027 0.000 1.356 196 H CB 0.154 29.938 29.762 0.037 0.000 1.401 196 H HN 0.310 nan 8.280 nan 0.000 0.524 197 I N 0.837 121.413 120.570 0.009 0.000 2.163 197 I HA -0.293 3.877 4.170 -0.000 0.000 0.243 197 I C 2.840 178.989 176.117 0.053 0.000 1.085 197 I CA 0.975 62.236 61.300 -0.064 0.000 1.347 197 I CB -0.298 37.494 38.000 -0.346 0.000 1.044 197 I HN 0.277 nan 8.210 nan 0.000 0.408 198 A N 0.725 123.518 122.820 -0.045 0.000 1.877 198 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 198 A C 2.547 180.145 177.584 0.023 0.000 1.186 198 A CA 2.040 54.058 52.037 -0.031 0.000 0.620 198 A CB -0.941 17.999 19.000 -0.100 0.000 0.822 198 A HN 0.446 nan 8.150 nan 0.000 0.443 199 A N -0.204 122.634 122.820 0.029 0.000 1.877 199 A HA 0.148 4.468 4.320 -0.000 0.000 0.216 199 A C 2.542 180.150 177.584 0.040 0.000 1.186 199 A CA 2.277 54.327 52.037 0.022 0.000 0.620 199 A CB -1.129 17.873 19.000 0.002 0.000 0.822 199 A HN 1.108 nan 8.150 nan 0.000 0.443 200 A N -0.118 122.763 122.820 0.102 0.000 1.883 200 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 200 A C 2.149 179.907 177.584 0.290 0.000 1.186 200 A CA 1.615 53.765 52.037 0.188 0.000 0.624 200 A CB -0.632 18.537 19.000 0.282 0.000 0.822 200 A HN 0.504 nan 8.150 nan 0.000 0.444 201 I N -0.996 119.710 120.570 0.226 0.000 2.226 201 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 201 I C 2.574 178.768 176.117 0.128 0.000 1.100 201 I CA 1.761 63.168 61.300 0.178 0.000 1.374 201 I CB -0.272 37.801 38.000 0.123 0.000 1.057 201 I HN 0.359 nan 8.210 nan 0.000 0.413 202 E N 0.747 120.995 120.200 0.080 0.000 2.077 202 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 202 E C 2.159 178.772 176.600 0.021 0.000 0.989 202 E CA 1.171 57.597 56.400 0.043 0.000 0.800 202 E CB -0.115 29.599 29.700 0.025 0.000 0.746 202 E HN 0.217 nan 8.360 nan 0.000 0.452 203 V N 0.768 120.681 119.914 -0.001 0.000 2.332 203 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 203 V C 2.189 178.197 176.094 -0.143 0.000 1.055 203 V CA 2.173 64.413 62.300 -0.099 0.000 1.038 203 V CB -0.605 31.110 31.823 -0.180 0.000 0.651 203 V HN 0.449 nan 8.190 nan 0.000 0.450 204 H N -0.332 118.746 119.070 0.013 0.000 2.436 204 H HA 0.025 4.581 4.556 -0.000 0.000 0.294 204 H C 2.143 177.479 175.328 0.014 0.000 1.048 204 H CA 1.419 57.477 56.048 0.017 0.000 1.353 204 H CB 0.369 30.149 29.762 0.029 0.000 1.414 204 H HN 0.561 nan 8.280 nan 0.000 0.536 205 E N 0.089 120.359 120.200 0.117 0.000 2.415 205 E HA 0.042 4.392 4.350 -0.000 0.000 0.197 205 E C 1.329 177.955 176.600 0.044 0.000 1.007 205 E CA 0.193 56.639 56.400 0.076 0.000 0.890 205 E CB 0.996 30.738 29.700 0.071 0.000 0.891 205 E HN 0.127 nan 8.360 nan 0.000 0.496 206 V N -0.146 119.785 119.914 0.029 0.000 3.177 206 V HA -0.037 4.083 4.120 -0.000 0.000 0.219 206 V C 1.544 177.639 176.094 0.002 0.000 1.344 206 V CA 0.105 62.415 62.300 0.017 0.000 1.324 206 V CB 0.042 31.875 31.823 0.017 0.000 1.165 206 V HN 0.086 nan 8.190 nan 0.000 0.510 207 L N 0.386 121.600 121.223 -0.015 0.000 2.023 207 L HA 0.084 4.424 4.340 -0.000 0.000 0.205 207 L C 2.120 178.970 176.870 -0.033 0.000 1.073 207 L CA 2.018 56.840 54.840 -0.030 0.000 0.745 207 L CB -0.567 41.463 42.059 -0.050 0.000 0.900 207 L HN 0.208 nan 8.230 nan 0.000 0.435 208 L N -0.387 120.803 121.223 -0.055 0.000 2.056 208 L HA -0.085 4.255 4.340 -0.000 0.000 0.207 208 L C -0.230 176.629 176.870 -0.018 0.000 1.078 208 L CA 0.986 55.793 54.840 -0.055 0.000 0.749 208 L CB -1.716 40.282 42.059 -0.103 0.000 0.901 208 L HN 0.269 nan 8.230 nan 0.000 0.433 209 P HA -0.104 nan 4.420 nan 0.000 0.217 209 P C 1.612 178.926 177.300 0.023 0.000 1.150 209 P CA 1.520 64.629 63.100 0.015 0.000 0.832 209 P CB -0.170 31.544 31.700 0.023 0.000 0.787 210 G N 0.511 109.324 108.800 0.021 0.000 2.514 210 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 210 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 210 G C 1.510 176.436 174.900 0.044 0.000 1.198 210 G CA 0.806 45.925 45.100 0.031 0.000 0.780 210 G HN 0.216 nan 8.290 nan 0.000 0.565 211 L N -0.027 121.215 121.223 0.032 0.000 2.079 211 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 211 L C 2.964 179.878 176.870 0.074 0.000 1.081 211 L CA 1.468 56.337 54.840 0.048 0.000 0.752 211 L CB -0.422 41.650 42.059 0.021 0.000 0.896 211 L HN 0.268 nan 8.230 nan 0.000 0.433 212 Q N 0.732 120.560 119.800 0.046 0.000 2.096 212 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 212 Q C 2.105 178.170 176.000 0.108 0.000 0.982 212 Q CA 1.776 57.612 55.803 0.055 0.000 0.850 212 Q CB -0.013 28.736 28.738 0.019 0.000 0.901 212 Q HN 0.316 nan 8.270 nan 0.000 0.422 213 K N -0.547 119.902 120.400 0.081 0.000 2.057 213 K HA -0.142 4.178 4.320 -0.000 0.000 0.207 213 K C 1.988 178.642 176.600 0.091 0.000 1.049 213 K CA 1.202 57.534 56.287 0.076 0.000 0.931 213 K CB -0.290 32.243 32.500 0.055 0.000 0.714 213 K HN 0.196 nan 8.250 nan 0.000 0.440 214 L N 1.215 122.504 121.223 0.110 0.000 2.017 214 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 214 L C 2.462 179.412 176.870 0.134 0.000 1.073 214 L CA 1.878 56.794 54.840 0.127 0.000 0.745 214 L CB -0.802 41.348 42.059 0.152 0.000 0.894 214 L HN 0.324 nan 8.230 nan 0.000 0.432 215 H N -0.433 118.672 119.070 0.059 0.000 2.289 215 H HA -0.209 4.347 4.556 -0.000 0.000 0.296 215 H C 1.607 176.964 175.328 0.047 0.000 1.091 215 H CA 2.330 58.410 56.048 0.054 0.000 1.274 215 H CB -0.113 29.672 29.762 0.039 0.000 1.364 215 H HN 0.407 nan 8.280 nan 0.000 0.490 216 D N 0.442 120.918 120.400 0.128 0.000 2.144 216 D HA -0.067 4.573 4.640 -0.000 0.000 0.199 216 D C 2.287 178.563 176.300 -0.041 0.000 0.984 216 D CA 1.319 55.351 54.000 0.054 0.000 0.834 216 D CB -0.462 40.407 40.800 0.117 0.000 0.955 216 D HN 0.528 nan 8.370 nan 0.000 0.465 217 A N 0.426 123.238 122.820 -0.013 0.000 1.897 217 A HA -0.030 4.290 4.320 -0.000 0.000 0.215 217 A C 2.350 179.921 177.584 -0.022 0.000 1.181 217 A CA 0.551 52.571 52.037 -0.027 0.000 0.620 217 A CB -0.690 18.302 19.000 -0.013 0.000 0.821 217 A HN 0.170 nan 8.150 nan 0.000 0.443 218 L N -0.493 120.745 121.223 0.024 0.000 2.079 218 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 218 L C 2.368 179.266 176.870 0.046 0.000 1.081 218 L CA 1.833 56.749 54.840 0.127 0.000 0.752 218 L CB -0.468 41.677 42.059 0.145 0.000 0.896 218 L HN 0.428 nan 8.230 nan 0.000 0.433 219 D N -0.301 120.027 120.400 -0.119 0.000 2.103 219 D HA -0.131 4.509 4.640 -0.000 0.000 0.199 219 D C 2.186 178.412 176.300 -0.124 0.000 0.978 219 D CA 1.250 55.156 54.000 -0.156 0.000 0.829 219 D CB 0.102 40.727 40.800 -0.292 0.000 0.981 219 D HN 0.216 nan 8.370 nan 0.000 0.464 220 A N 0.959 123.703 122.820 -0.127 0.000 1.884 220 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 220 A C 2.127 179.557 177.584 -0.256 0.000 1.197 220 A CA 1.843 53.789 52.037 -0.151 0.000 0.637 220 A CB -0.559 18.365 19.000 -0.126 0.000 0.827 220 A HN 0.141 nan 8.150 nan 0.000 0.450 221 K N -0.318 119.898 120.400 -0.307 0.000 2.097 221 K HA -0.094 4.226 4.320 -0.000 0.000 0.205 221 K C 2.424 178.643 176.600 -0.635 0.000 1.050 221 K CA 1.265 57.155 56.287 -0.661 0.000 0.938 221 K CB -0.650 31.488 32.500 -0.604 0.000 0.718 221 K HN 0.515 nan 8.250 nan 0.000 0.442 222 S N 1.382 116.949 115.700 -0.222 0.000 2.359 222 S HA -0.179 4.290 4.470 -0.000 0.000 0.224 222 S C 1.857 176.391 174.600 -0.110 0.000 1.035 222 S CA 1.584 59.740 58.200 -0.074 0.000 1.018 222 S CB 0.040 63.253 63.200 0.022 0.000 0.876 222 S HN 0.263 nan 8.310 nan 0.000 0.448 223 K N 0.692 121.010 120.400 -0.136 0.000 2.026 223 K HA -0.089 4.231 4.320 -0.000 0.000 0.208 223 K C 2.379 178.903 176.600 -0.126 0.000 1.048 223 K CA 1.574 57.797 56.287 -0.107 0.000 0.929 223 K CB -0.294 32.148 32.500 -0.096 0.000 0.713 223 K HN 0.516 nan 8.250 nan 0.000 0.439 224 E N -0.060 119.992 120.200 -0.247 0.000 2.118 224 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 224 E C 0.768 177.335 176.600 -0.056 0.000 0.992 224 E CA 1.047 57.295 56.400 -0.253 0.000 0.804 224 E CB 0.113 29.517 29.700 -0.492 0.000 0.741 224 E HN 0.193 nan 8.360 nan 0.000 0.458 225 F N -0.517 119.339 119.950 -0.158 0.000 2.660 225 F HA 0.342 4.869 4.527 -0.000 0.000 0.302 225 F C 1.681 177.417 175.800 -0.107 0.000 1.103 225 F CA -0.047 57.856 58.000 -0.162 0.000 1.340 225 F CB -0.399 38.430 39.000 -0.286 0.000 1.048 225 F HN 0.013 nan 8.300 nan 0.000 0.551 226 A N -0.459 122.405 122.820 0.074 0.000 2.070 226 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 226 A C 1.969 179.569 177.584 0.026 0.000 1.159 226 A CA 1.357 53.415 52.037 0.034 0.000 0.656 226 A CB -0.379 18.624 19.000 0.005 0.000 0.800 226 A HN 0.432 nan 8.150 nan 0.000 0.453 227 Q N -1.118 118.700 119.800 0.029 0.000 2.217 227 Q HA 0.332 4.672 4.340 -0.000 0.000 0.217 227 Q C -0.650 175.353 176.000 0.005 0.000 0.844 227 Q CA -0.228 55.583 55.803 0.013 0.000 0.957 227 Q CB 0.574 29.318 28.738 0.010 0.000 1.127 227 Q HN 0.618 nan 8.270 nan 0.000 0.503 228 I N 1.909 122.481 120.570 0.003 0.000 2.322 228 I HA 0.169 4.339 4.170 -0.000 0.000 0.292 228 I C -0.243 175.856 176.117 -0.030 0.000 1.060 228 I CA -0.209 61.072 61.300 -0.031 0.000 1.309 228 I CB 0.682 38.628 38.000 -0.091 0.000 1.415 228 I HN -0.015 nan 8.210 nan 0.000 0.492 229 I N 8.116 128.671 120.570 -0.025 0.000 2.331 229 I HA 0.283 4.453 4.170 -0.000 0.000 0.292 229 I C 0.136 176.240 176.117 -0.021 0.000 0.998 229 I CA -0.391 60.898 61.300 -0.017 0.000 1.267 229 I CB 0.783 38.777 38.000 -0.011 0.000 1.386 229 I HN 0.614 nan 8.210 nan 0.000 0.476 230 K N 5.285 125.676 120.400 -0.014 0.000 2.378 230 K HA 0.649 4.969 4.320 -0.000 0.000 0.244 230 K C -0.998 175.603 176.600 0.001 0.000 1.039 230 K CA -1.056 55.225 56.287 -0.011 0.000 0.863 230 K CB 1.945 34.439 32.500 -0.010 0.000 1.326 230 K HN 0.276 nan 8.250 nan 0.000 0.460 231 I N 1.752 122.326 120.570 0.005 0.000 2.416 231 I HA 0.221 4.391 4.170 -0.000 0.000 0.288 231 I C 0.257 176.384 176.117 0.017 0.000 1.051 231 I CA 0.429 61.736 61.300 0.010 0.000 1.375 231 I CB 0.773 38.780 38.000 0.012 0.000 1.407 231 I HN 0.760 nan 8.210 nan 0.000 0.516 232 G N 7.189 115.998 108.800 0.015 0.000 2.544 232 G HA2 0.321 4.281 3.960 -0.000 0.000 0.242 232 G HA3 0.321 4.281 3.960 -0.000 0.000 0.242 232 G C -0.368 174.545 174.900 0.022 0.000 1.247 232 G CA -0.595 44.515 45.100 0.017 0.000 0.840 232 G HN 0.660 nan 8.290 nan 0.000 0.578 233 R N 0.242 120.755 120.500 0.022 0.000 2.439 233 R HA 0.498 4.837 4.340 -0.000 0.000 0.310 233 R C -0.541 175.771 176.300 0.019 0.000 0.955 233 R CA -0.579 55.535 56.100 0.023 0.000 0.853 233 R CB 1.929 32.239 30.300 0.018 0.000 1.171 233 R HN 0.683 nan 8.270 nan 0.000 0.449 234 T N -0.896 113.690 114.554 0.052 0.000 2.848 234 T HA 0.264 4.614 4.350 -0.000 0.000 0.285 234 T C 0.340 175.152 174.700 0.187 0.000 0.995 234 T CA -0.722 61.418 62.100 0.067 0.000 0.970 234 T CB 0.897 69.840 68.868 0.125 0.000 0.976 234 T HN 0.878 nan 8.240 nan 0.000 0.441 235 H N 1.883 120.938 119.070 -0.025 0.000 3.047 235 H HA -0.289 4.267 4.556 -0.000 0.000 0.263 235 H C 1.327 176.633 175.328 -0.037 0.000 1.168 235 H CA 1.655 57.686 56.048 -0.029 0.000 1.152 235 H CB -2.355 27.395 29.762 -0.021 0.000 1.278 235 H HN 1.549 nan 8.280 nan 0.000 0.339 236 T N -3.753 110.825 114.554 0.039 0.000 6.974 236 T HA -0.263 4.087 4.350 -0.000 0.000 0.287 236 T C 0.265 174.983 174.700 0.030 0.000 2.146 236 T CA 1.694 63.797 62.100 0.005 0.000 3.451 236 T CB -0.905 67.945 68.868 -0.030 0.000 1.630 236 T HN 0.554 nan 8.240 nan 0.000 1.173 237 Q N 2.010 121.846 119.800 0.059 0.000 2.259 237 Q HA 0.435 4.775 4.340 -0.000 0.000 0.246 237 Q C -0.131 175.891 176.000 0.038 0.000 0.920 237 Q CA -0.479 55.349 55.803 0.042 0.000 0.895 237 Q CB 0.752 29.510 28.738 0.033 0.000 1.220 237 Q HN 0.527 nan 8.270 nan 0.000 0.439 238 D N 1.083 121.498 120.400 0.025 0.000 2.533 238 D HA 0.197 4.837 4.640 -0.000 0.000 0.236 238 D C -0.205 176.109 176.300 0.023 0.000 1.137 238 D CA 0.507 54.520 54.000 0.021 0.000 0.867 238 D CB 0.605 41.414 40.800 0.015 0.000 1.170 238 D HN 0.563 nan 8.370 nan 0.000 0.474 239 A N 1.824 124.658 122.820 0.023 0.000 2.726 239 A HA 0.715 5.035 4.320 -0.000 0.000 0.248 239 A C -0.143 177.450 177.584 0.016 0.000 1.249 239 A CA -0.564 51.488 52.037 0.024 0.000 0.846 239 A CB 0.382 19.401 19.000 0.032 0.000 1.391 239 A HN 0.409 nan 8.150 nan 0.000 0.497 240 V N -2.203 117.719 119.914 0.014 0.000 3.133 240 V HA 0.498 4.618 4.120 -0.000 0.000 0.305 240 V C -2.650 173.448 176.094 0.008 0.000 1.084 240 V CA -1.757 60.548 62.300 0.009 0.000 1.089 240 V CB -0.314 31.513 31.823 0.008 0.000 1.073 240 V HN 0.618 nan 8.190 nan 0.000 0.477 241 P HA 0.424 nan 4.420 nan 0.000 0.269 241 P C -0.586 176.716 177.300 0.002 0.000 1.215 241 P CA -0.005 63.097 63.100 0.003 0.000 0.780 241 P CB 0.345 32.045 31.700 0.001 0.000 0.898 242 L N -1.356 119.868 121.223 0.002 0.000 2.479 242 L HA 0.764 5.103 4.340 -0.000 0.000 0.255 242 L C -0.391 176.481 176.870 0.004 0.000 1.026 242 L CA -1.021 53.820 54.840 0.001 0.000 0.842 242 L CB 1.916 43.974 42.059 -0.002 0.000 1.444 242 L HN 0.322 nan 8.230 nan 0.000 0.409 243 T N -1.158 113.399 114.554 0.005 0.000 2.868 243 T HA 0.257 4.607 4.350 -0.000 0.000 0.292 243 T C 0.830 175.548 174.700 0.029 0.000 1.028 243 T CA -0.508 61.598 62.100 0.011 0.000 1.059 243 T CB 1.400 70.276 68.868 0.014 0.000 0.991 243 T HN 0.655 nan 8.240 nan 0.000 0.531 244 L N 2.265 123.504 121.223 0.027 0.000 2.141 244 L HA 0.210 4.550 4.340 -0.000 0.000 0.209 244 L C 2.491 179.455 176.870 0.158 0.000 1.094 244 L CA 2.145 57.028 54.840 0.071 0.000 0.763 244 L CB -1.351 40.653 42.059 -0.093 0.000 0.908 244 L HN 1.011 nan 8.230 nan 0.000 0.437 245 G N -1.564 107.302 108.800 0.110 0.000 2.418 245 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 245 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 245 G C 1.472 176.414 174.900 0.070 0.000 1.158 245 G CA 0.665 45.821 45.100 0.093 0.000 0.771 245 G HN 0.470 nan 8.290 nan 0.000 0.545 246 Q N -0.269 119.552 119.800 0.035 0.000 2.020 246 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 246 Q C 2.455 178.424 176.000 -0.051 0.000 0.982 246 Q CA 1.536 57.335 55.803 -0.007 0.000 0.838 246 Q CB -0.198 28.535 28.738 -0.010 0.000 0.899 246 Q HN 0.667 nan 8.270 nan 0.000 0.423 247 E N -0.060 120.117 120.200 -0.037 0.000 2.038 247 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 247 E C 1.674 177.978 176.600 -0.494 0.000 1.000 247 E CA 1.095 57.386 56.400 -0.181 0.000 0.803 247 E CB -0.075 29.598 29.700 -0.045 0.000 0.750 247 E HN 0.238 nan 8.360 nan 0.000 0.448 248 F N 1.071 120.781 119.950 -0.399 0.000 2.202 248 F HA -0.205 4.322 4.527 -0.000 0.000 0.301 248 F C 2.835 178.478 175.800 -0.262 0.000 1.082 248 F CA 1.456 59.250 58.000 -0.343 0.000 1.313 248 F CB -0.580 38.431 39.000 0.018 0.000 1.024 248 F HN 0.135 nan 8.300 nan 0.000 0.495 249 S N -0.378 115.294 115.700 -0.046 0.000 2.399 249 S HA -0.130 4.340 4.470 -0.000 0.000 0.231 249 S C 2.481 177.006 174.600 -0.125 0.000 1.022 249 S CA 1.139 59.300 58.200 -0.066 0.000 0.983 249 S CB -1.396 61.773 63.200 -0.051 0.000 0.803 249 S HN 0.357 nan 8.310 nan 0.000 0.480 250 G N 0.724 109.392 108.800 -0.221 0.000 2.446 250 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.217 250 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.217 250 G C 1.239 176.093 174.900 -0.076 0.000 1.168 250 G CA 1.131 46.114 45.100 -0.195 0.000 0.771 250 G HN 0.605 nan 8.290 nan 0.000 0.551 251 Y N 0.687 120.933 120.300 -0.091 0.000 2.181 251 Y HA -0.038 4.512 4.550 -0.000 0.000 0.288 251 Y C 3.018 178.882 175.900 -0.060 0.000 1.146 251 Y CA 0.042 58.081 58.100 -0.101 0.000 1.164 251 Y CB -1.215 37.136 38.460 -0.183 0.000 0.982 251 Y HN 0.051 nan 8.280 nan 0.000 0.515 252 V N 0.024 119.984 119.914 0.076 0.000 2.343 252 V HA -0.308 3.811 4.120 -0.000 0.000 0.247 252 V C 2.442 178.555 176.094 0.033 0.000 1.051 252 V CA 2.116 64.424 62.300 0.013 0.000 1.036 252 V CB -0.763 31.011 31.823 -0.082 0.000 0.654 252 V HN 0.286 nan 8.190 nan 0.000 0.451 253 Q N -0.011 119.748 119.800 -0.067 0.000 2.084 253 Q HA -0.238 4.102 4.340 -0.000 0.000 0.202 253 Q C 2.274 178.122 176.000 -0.253 0.000 0.978 253 Q CA 1.954 57.612 55.803 -0.241 0.000 0.844 253 Q CB -0.297 28.229 28.738 -0.355 0.000 0.898 253 Q HN 0.682 nan 8.270 nan 0.000 0.426 254 Q N -1.000 118.746 119.800 -0.089 0.000 2.061 254 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 254 Q C 2.102 178.143 176.000 0.069 0.000 0.984 254 Q CA 1.932 57.741 55.803 0.011 0.000 0.846 254 Q CB -0.096 28.671 28.738 0.048 0.000 0.902 254 Q HN 0.303 nan 8.270 nan 0.000 0.421 255 V N 1.246 121.213 119.914 0.089 0.000 2.379 255 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 255 V C 2.294 178.468 176.094 0.133 0.000 1.044 255 V CA 1.701 64.072 62.300 0.117 0.000 1.036 255 V CB -0.611 31.303 31.823 0.152 0.000 0.664 255 V HN 0.337 nan 8.190 nan 0.000 0.453 256 K N -0.528 119.974 120.400 0.171 0.000 2.032 256 K HA -0.236 4.084 4.320 -0.000 0.000 0.209 256 K C 2.266 178.987 176.600 0.201 0.000 1.048 256 K CA 2.022 58.380 56.287 0.119 0.000 0.927 256 K CB -0.292 32.281 32.500 0.121 0.000 0.712 256 K HN 0.423 nan 8.250 nan 0.000 0.441 257 Y N 0.482 120.796 120.300 0.023 0.000 2.293 257 Y HA -0.061 4.489 4.550 -0.000 0.000 0.291 257 Y C 2.414 178.306 175.900 -0.013 0.000 1.137 257 Y CA 0.459 58.560 58.100 0.002 0.000 1.202 257 Y CB -0.994 37.471 38.460 0.007 0.000 0.990 257 Y HN 0.203 nan 8.280 nan 0.000 0.537 258 A N -0.107 122.799 122.820 0.144 0.000 1.877 258 A HA -0.230 4.089 4.320 -0.000 0.000 0.216 258 A C 2.383 179.977 177.584 0.016 0.000 1.186 258 A CA 1.971 54.040 52.037 0.054 0.000 0.620 258 A CB -0.761 18.261 19.000 0.035 0.000 0.822 258 A HN 0.401 nan 8.150 nan 0.000 0.443 259 M N -0.930 118.682 119.600 0.020 0.000 2.132 259 M HA -0.122 4.358 4.480 -0.000 0.000 0.263 259 M C 2.260 178.545 176.300 -0.026 0.000 1.065 259 M CA 1.887 57.176 55.300 -0.018 0.000 1.122 259 M CB -0.806 31.775 32.600 -0.032 0.000 1.365 259 M HN 0.437 nan 8.290 nan 0.000 0.411 260 T N 0.289 114.842 114.554 -0.002 0.000 2.665 260 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 260 T C 1.849 176.517 174.700 -0.053 0.000 1.035 260 T CA 1.482 63.565 62.100 -0.027 0.000 1.151 260 T CB -0.308 68.541 68.868 -0.032 0.000 0.862 260 T HN 0.366 nan 8.240 nan 0.000 0.438 261 R N 0.169 120.638 120.500 -0.050 0.000 2.083 261 R HA -0.004 4.336 4.340 -0.000 0.000 0.237 261 R C 2.503 178.763 176.300 -0.065 0.000 1.137 261 R CA 1.412 57.475 56.100 -0.062 0.000 0.951 261 R CB -0.531 29.740 30.300 -0.048 0.000 0.851 261 R HN 0.395 nan 8.270 nan 0.000 0.434 262 I N 0.886 121.418 120.570 -0.065 0.000 2.163 262 I HA -0.319 3.850 4.170 -0.000 0.000 0.243 262 I C 2.135 178.193 176.117 -0.098 0.000 1.085 262 I CA 1.543 62.792 61.300 -0.085 0.000 1.347 262 I CB -0.190 37.757 38.000 -0.088 0.000 1.044 262 I HN 0.133 nan 8.210 nan 0.000 0.408 263 K N 0.793 121.143 120.400 -0.083 0.000 2.057 263 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 263 K C 2.202 178.773 176.600 -0.048 0.000 1.049 263 K CA 1.457 57.705 56.287 -0.065 0.000 0.931 263 K CB -0.325 32.151 32.500 -0.040 0.000 0.714 263 K HN 0.313 nan 8.250 nan 0.000 0.440 264 A N 1.196 123.984 122.820 -0.053 0.000 2.076 264 A HA -0.091 4.229 4.320 -0.000 0.000 0.220 264 A C 2.067 179.615 177.584 -0.059 0.000 1.160 264 A CA 1.767 53.774 52.037 -0.050 0.000 0.653 264 A CB -0.432 18.532 19.000 -0.059 0.000 0.801 264 A HN 0.329 nan 8.150 nan 0.000 0.455 265 A N -1.910 120.863 122.820 -0.079 0.000 2.345 265 A HA 0.428 4.748 4.320 -0.000 0.000 0.225 265 A C 1.605 179.103 177.584 -0.143 0.000 1.243 265 A CA 0.244 52.226 52.037 -0.092 0.000 0.875 265 A CB -0.171 18.779 19.000 -0.084 0.000 0.929 265 A HN 0.347 nan 8.150 nan 0.000 0.502 266 M N -0.651 118.850 119.600 -0.165 0.000 2.534 266 M HA 0.104 4.584 4.480 -0.000 0.000 0.263 266 M C -1.095 174.968 176.300 -0.394 0.000 1.152 266 M CA -0.025 55.077 55.300 -0.330 0.000 1.145 266 M CB -1.721 30.696 32.600 -0.304 0.000 1.333 266 M HN 0.060 nan 8.290 nan 0.000 0.477 267 P HA -0.123 nan 4.420 nan 0.000 0.216 267 P C 1.208 178.512 177.300 0.006 0.000 1.150 267 P CA 1.478 64.611 63.100 0.055 0.000 0.843 267 P CB -0.095 31.634 31.700 0.048 0.000 0.787 268 R N -1.545 118.903 120.500 -0.086 0.000 2.254 268 R HA 0.160 4.500 4.340 -0.000 0.000 0.195 268 R C 1.998 178.193 176.300 -0.176 0.000 0.957 268 R CA 0.166 56.234 56.100 -0.055 0.000 1.024 268 R CB -0.283 30.002 30.300 -0.025 0.000 0.952 268 R HN 0.157 nan 8.270 nan 0.000 0.484 269 I N 0.196 120.528 120.570 -0.397 0.000 2.394 269 I HA -0.246 3.924 4.170 -0.000 0.000 0.251 269 I C 1.299 177.185 176.117 -0.385 0.000 1.136 269 I CA 1.630 62.511 61.300 -0.699 0.000 1.425 269 I CB -0.546 37.073 38.000 -0.635 0.000 1.079 269 I HN 0.241 nan 8.210 nan 0.000 0.425 270 Y N 1.290 121.551 120.300 -0.066 0.000 2.571 270 Y HA -0.021 4.528 4.550 -0.000 0.000 0.294 270 Y C 1.022 177.056 175.900 0.223 0.000 1.141 270 Y CA -0.187 57.927 58.100 0.023 0.000 1.308 270 Y CB -0.142 38.215 38.460 -0.172 0.000 1.002 270 Y HN 0.211 nan 8.280 nan 0.000 0.551 271 E N 1.607 121.981 120.200 0.290 0.000 2.316 271 E HA 0.253 4.603 4.350 -0.000 0.000 0.275 271 E C -0.825 175.968 176.600 0.322 0.000 1.029 271 E CA -0.168 56.389 56.400 0.262 0.000 0.871 271 E CB 0.916 30.726 29.700 0.183 0.000 1.022 271 E HN 0.230 nan 8.360 nan 0.000 0.418 272 L N 1.880 123.222 121.223 0.200 0.000 2.329 272 L HA 0.360 4.700 4.340 -0.000 0.000 0.279 272 L C 0.906 177.789 176.870 0.021 0.000 1.014 272 L CA -0.553 54.340 54.840 0.090 0.000 0.814 272 L CB 1.599 43.662 42.059 0.008 0.000 1.257 272 L HN 0.652 nan 8.230 nan 0.000 0.424 273 A N 2.451 125.254 122.820 -0.027 0.000 2.167 273 A HA 0.256 4.576 4.320 -0.000 0.000 0.214 273 A C 1.222 178.791 177.584 -0.025 0.000 1.151 273 A CA 0.528 52.547 52.037 -0.031 0.000 0.735 273 A CB -0.173 18.807 19.000 -0.033 0.000 0.802 273 A HN 0.754 nan 8.150 nan 0.000 0.467 274 A N -0.784 122.015 122.820 -0.034 0.000 2.566 274 A HA 0.419 4.739 4.320 -0.000 0.000 0.245 274 A C 1.590 179.197 177.584 0.039 0.000 1.056 274 A CA 0.813 52.851 52.037 0.003 0.000 0.757 274 A CB -0.623 18.339 19.000 -0.063 0.000 0.979 274 A HN 1.928 nan 8.150 nan 0.000 0.508 275 G N 1.606 110.491 108.800 0.141 0.000 2.238 275 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.217 275 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.217 275 G C 1.301 176.224 174.900 0.039 0.000 0.996 275 G CA 0.651 45.847 45.100 0.160 0.000 0.632 275 G HN 1.820 nan 8.290 nan 0.000 0.503 276 G N 0.637 109.426 108.800 -0.018 0.000 2.534 276 G HA2 0.374 4.334 3.960 -0.000 0.000 0.217 276 G HA3 0.374 4.334 3.960 -0.000 0.000 0.217 276 G C 1.527 176.390 174.900 -0.062 0.000 1.128 276 G CA 2.745 47.786 45.100 -0.097 0.000 0.784 276 G HN 2.179 nan 8.290 nan 0.000 0.542 277 T N -1.415 113.135 114.554 -0.007 0.000 14.043 277 T HA -0.394 3.956 4.350 -0.000 0.000 0.422 277 T C 1.882 176.590 174.700 0.013 0.000 1.438 277 T CA 2.202 64.305 62.100 0.004 0.000 2.348 277 T CB -1.396 67.463 68.868 -0.014 0.000 2.748 277 T HN 1.280 nan 8.240 nan 0.000 0.266 278 A N 1.008 123.841 122.820 0.021 0.000 1.872 278 A HA 0.360 4.680 4.320 -0.000 0.000 0.214 278 A C 2.700 180.318 177.584 0.057 0.000 1.187 278 A CA 3.346 55.408 52.037 0.041 0.000 0.614 278 A CB -0.679 18.345 19.000 0.040 0.000 0.826 278 A HN 2.056 nan 8.150 nan 0.000 0.442 279 V N -5.505 114.448 119.914 0.064 0.000 3.432 279 V HA 0.624 4.743 4.120 -0.000 0.000 0.298 279 V C 1.076 177.239 176.094 0.115 0.000 1.464 279 V CA 0.762 63.133 62.300 0.119 0.000 1.046 279 V CB -0.334 31.584 31.823 0.159 0.000 0.887 279 V HN 1.483 nan 8.190 nan 0.000 0.441 280 G N 1.301 110.050 108.800 -0.087 0.000 2.218 280 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.216 280 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.216 280 G C 1.001 175.549 174.900 -0.587 0.000 0.994 280 G CA 0.912 45.696 45.100 -0.527 0.000 0.637 280 G HN 1.053 nan 8.290 nan 0.000 0.505 281 T N -1.277 113.223 114.554 -0.089 0.000 3.023 281 T HA 0.374 4.723 4.350 -0.000 0.000 0.266 281 T C 2.532 177.224 174.700 -0.012 0.000 1.093 281 T CA 1.849 63.980 62.100 0.053 0.000 1.129 281 T CB -0.094 68.868 68.868 0.157 0.000 0.899 281 T HN 2.243 nan 8.240 nan 0.000 0.491 282 G N 1.000 109.775 108.800 -0.041 0.000 2.143 282 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.248 282 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.248 282 G C -0.078 174.806 174.900 -0.026 0.000 0.991 282 G CA 0.075 45.157 45.100 -0.030 0.000 0.689 282 G HN 0.778 nan 8.290 nan 0.000 0.522 283 L N 0.339 121.556 121.223 -0.010 0.000 2.514 283 L HA 0.388 4.728 4.340 -0.000 0.000 0.280 283 L C 1.230 178.075 176.870 -0.041 0.000 1.223 283 L CA 1.430 56.262 54.840 -0.014 0.000 0.864 283 L CB 0.005 42.068 42.059 0.006 0.000 1.118 283 L HN 0.379 nan 8.230 nan 0.000 0.494 284 N N 1.075 119.742 118.700 -0.055 0.000 2.815 284 N HA -0.210 4.530 4.740 -0.000 0.000 0.247 284 N C 0.136 175.562 175.510 -0.139 0.000 1.030 284 N CA 1.415 54.416 53.050 -0.081 0.000 0.881 284 N CB -1.428 37.022 38.487 -0.062 0.000 1.134 284 N HN 0.812 nan 8.380 nan 0.000 0.582 285 T N -0.140 114.320 114.554 -0.156 0.000 2.949 285 T HA 0.535 4.885 4.350 -0.000 0.000 0.287 285 T C -0.186 174.352 174.700 -0.269 0.000 1.034 285 T CA -0.598 61.341 62.100 -0.268 0.000 1.018 285 T CB 1.257 69.987 68.868 -0.229 0.000 1.135 285 T HN -0.051 nan 8.240 nan 0.000 0.532 286 R N 1.814 122.053 120.500 -0.434 0.000 2.486 286 R HA 0.451 4.791 4.340 -0.000 0.000 0.286 286 R C -0.191 175.946 176.300 -0.273 0.000 0.999 286 R CA -0.673 55.143 56.100 -0.472 0.000 0.993 286 R CB 0.731 30.392 30.300 -1.065 0.000 1.084 286 R HN 0.623 nan 8.270 nan 0.000 0.487 287 I N 1.509 122.004 120.570 -0.126 0.000 2.668 287 I HA -0.068 4.102 4.170 -0.000 0.000 0.285 287 I C 1.470 177.646 176.117 0.099 0.000 1.168 287 I CA 1.479 62.783 61.300 0.006 0.000 1.424 287 I CB 0.344 38.365 38.000 0.035 0.000 1.377 287 I HN 0.968 nan 8.210 nan 0.000 0.560 288 G N 5.078 113.956 108.800 0.130 0.000 2.213 288 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.236 288 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.236 288 G C 0.744 175.789 174.900 0.242 0.000 0.991 288 G CA 0.358 45.571 45.100 0.187 0.000 0.629 288 G HN 0.603 nan 8.290 nan 0.000 0.517 289 F N 2.293 122.292 119.950 0.082 0.000 2.095 289 F HA 0.160 4.687 4.527 -0.000 0.000 0.298 289 F C 2.759 178.590 175.800 0.051 0.000 1.104 289 F CA 2.686 60.739 58.000 0.089 0.000 1.232 289 F CB -0.553 38.389 39.000 -0.098 0.000 0.987 289 F HN 0.391 nan 8.300 nan 0.000 0.475 290 A N 0.012 122.857 122.820 0.041 0.000 1.873 290 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 290 A C 2.014 179.532 177.584 -0.110 0.000 1.193 290 A CA 2.286 54.286 52.037 -0.061 0.000 0.629 290 A CB -0.984 18.028 19.000 0.020 0.000 0.826 290 A HN 0.504 nan 8.150 nan 0.000 0.447 291 E N -0.248 119.927 120.200 -0.042 0.000 2.046 291 E HA -0.083 4.267 4.350 -0.000 0.000 0.190 291 E C 2.074 178.639 176.600 -0.058 0.000 0.982 291 E CA 1.390 57.772 56.400 -0.029 0.000 0.800 291 E CB -0.172 29.533 29.700 0.008 0.000 0.756 291 E HN 0.625 nan 8.360 nan 0.000 0.449 292 K N 0.148 120.513 120.400 -0.058 0.000 2.063 292 K HA -0.125 4.195 4.320 -0.000 0.000 0.208 292 K C 2.046 178.554 176.600 -0.154 0.000 1.048 292 K CA 1.367 57.611 56.287 -0.071 0.000 0.928 292 K CB -0.149 32.346 32.500 -0.010 0.000 0.713 292 K HN 0.003 nan 8.250 nan 0.000 0.442 293 V N 1.071 120.801 119.914 -0.306 0.000 2.379 293 V HA -0.204 3.915 4.120 -0.000 0.000 0.245 293 V C 2.336 178.304 176.094 -0.210 0.000 1.044 293 V CA 1.901 63.991 62.300 -0.351 0.000 1.036 293 V CB -0.681 30.761 31.823 -0.636 0.000 0.664 293 V HN 0.337 nan 8.190 nan 0.000 0.453 294 A N 0.356 123.079 122.820 -0.161 0.000 1.883 294 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 294 A C 2.443 180.014 177.584 -0.023 0.000 1.186 294 A CA 2.245 54.239 52.037 -0.072 0.000 0.624 294 A CB -0.877 18.112 19.000 -0.018 0.000 0.822 294 A HN 0.570 nan 8.150 nan 0.000 0.444 295 A N -0.390 122.409 122.820 -0.035 0.000 1.902 295 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 295 A C 2.096 179.666 177.584 -0.023 0.000 1.181 295 A CA 2.336 54.363 52.037 -0.018 0.000 0.623 295 A CB -0.418 18.568 19.000 -0.023 0.000 0.818 295 A HN 0.496 nan 8.150 nan 0.000 0.443 296 K N -0.403 119.967 120.400 -0.051 0.000 2.057 296 K HA -0.046 4.274 4.320 -0.000 0.000 0.206 296 K C 1.697 178.270 176.600 -0.045 0.000 1.050 296 K CA 1.546 57.803 56.287 -0.049 0.000 0.935 296 K CB -0.415 32.046 32.500 -0.065 0.000 0.715 296 K HN 0.181 nan 8.250 nan 0.000 0.439 297 V N 0.970 120.839 119.914 -0.075 0.000 2.343 297 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 297 V C 2.309 178.429 176.094 0.042 0.000 1.051 297 V CA 1.964 64.205 62.300 -0.099 0.000 1.036 297 V CB -0.838 30.822 31.823 -0.272 0.000 0.654 297 V HN 0.489 nan 8.190 nan 0.000 0.451 298 A N 0.031 122.923 122.820 0.120 0.000 1.902 298 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 298 A C 2.414 180.036 177.584 0.063 0.000 1.181 298 A CA 2.169 54.312 52.037 0.177 0.000 0.623 298 A CB -0.753 18.303 19.000 0.093 0.000 0.818 298 A HN 0.575 nan 8.150 nan 0.000 0.443 299 A N -0.506 122.327 122.820 0.021 0.000 1.930 299 A HA 0.049 4.369 4.320 -0.000 0.000 0.217 299 A C 2.157 179.742 177.584 0.001 0.000 1.175 299 A CA 1.309 53.345 52.037 -0.001 0.000 0.627 299 A CB -0.529 18.463 19.000 -0.012 0.000 0.815 299 A HN 0.460 nan 8.150 nan 0.000 0.443 300 L N -0.184 121.041 121.223 0.004 0.000 2.046 300 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 300 L C 2.875 179.753 176.870 0.014 0.000 1.077 300 L CA 1.921 56.760 54.840 -0.000 0.000 0.747 300 L CB -0.530 41.519 42.059 -0.017 0.000 0.896 300 L HN 0.673 nan 8.230 nan 0.000 0.432 301 T N -4.878 109.704 114.554 0.047 0.000 3.037 301 T HA 0.188 4.538 4.350 -0.000 0.000 0.252 301 T C 1.508 176.221 174.700 0.021 0.000 1.073 301 T CA 0.490 62.631 62.100 0.069 0.000 1.091 301 T CB 0.516 69.504 68.868 0.200 0.000 0.935 301 T HN 0.411 nan 8.240 nan 0.000 0.488 302 G N 1.489 110.288 108.800 -0.001 0.000 2.155 302 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.257 302 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.257 302 G C -0.089 174.721 174.900 -0.149 0.000 0.983 302 G CA 0.488 45.551 45.100 -0.062 0.000 0.676 302 G HN 0.647 nan 8.290 nan 0.000 0.528 303 L N 0.398 121.521 121.223 -0.167 0.000 2.352 303 L HA 0.527 4.866 4.340 -0.000 0.000 0.269 303 L C -1.661 174.880 176.870 -0.548 0.000 1.034 303 L CA -2.461 52.109 54.840 -0.449 0.000 0.806 303 L CB 1.768 43.498 42.059 -0.548 0.000 1.244 303 L HN -0.125 nan 8.230 nan 0.000 0.447 304 P HA 0.153 nan 4.420 nan 0.000 0.214 304 P C -0.672 176.284 177.300 -0.574 0.000 1.826 304 P CA -0.246 62.469 63.100 -0.642 0.000 0.977 304 P CB -0.471 30.827 31.700 -0.669 0.000 1.930 305 F N 1.325 121.182 119.950 -0.155 0.000 2.459 305 F HA 0.213 4.740 4.527 -0.000 0.000 0.346 305 F C 1.448 177.234 175.800 -0.022 0.000 1.128 305 F CA 0.063 58.057 58.000 -0.009 0.000 1.268 305 F CB 0.608 39.616 39.000 0.014 0.000 1.161 305 F HN 0.044 nan 8.300 nan 0.000 0.583 306 V N -1.106 118.941 119.914 0.222 0.000 3.078 306 V HA 0.574 4.693 4.120 -0.000 0.000 0.311 306 V C -0.301 175.860 176.094 0.113 0.000 1.138 306 V CA -0.950 61.420 62.300 0.116 0.000 1.007 306 V CB 1.361 33.229 31.823 0.075 0.000 1.045 306 V HN 0.685 nan 8.190 nan 0.000 0.432 307 T N 2.217 116.806 114.554 0.059 0.000 2.919 307 T HA 0.545 4.895 4.350 -0.000 0.000 0.302 307 T C 0.490 175.223 174.700 0.056 0.000 1.031 307 T CA 0.554 62.678 62.100 0.040 0.000 1.127 307 T CB 0.451 69.325 68.868 0.010 0.000 0.952 307 T HN 1.720 nan 8.240 nan 0.000 0.540 308 A N 6.796 129.649 122.820 0.055 0.000 2.524 308 A HA 0.352 4.671 4.320 -0.000 0.000 0.250 308 A C -1.235 176.372 177.584 0.037 0.000 1.078 308 A CA -1.086 50.987 52.037 0.059 0.000 0.761 308 A CB -0.061 18.972 19.000 0.055 0.000 1.012 308 A HN 0.685 nan 8.150 nan 0.000 0.500 309 P HA -0.079 nan 4.420 nan 0.000 0.218 309 P C 0.238 177.567 177.300 0.047 0.000 1.149 309 P CA 1.101 64.227 63.100 0.044 0.000 0.817 309 P CB 0.221 31.950 31.700 0.048 0.000 0.785 310 N N -0.227 118.504 118.700 0.051 0.000 2.524 310 N HA 0.068 4.808 4.740 -0.000 0.000 0.261 310 N C 0.661 176.171 175.510 -0.001 0.000 0.998 310 N CA -0.266 52.828 53.050 0.073 0.000 0.915 310 N CB 0.787 39.351 38.487 0.129 0.000 1.187 310 N HN -0.277 nan 8.380 nan 0.000 0.507 311 K N 2.489 122.792 120.400 -0.162 0.000 2.217 311 K HA 0.000 4.320 4.320 -0.000 0.000 0.202 311 K C 1.207 177.616 176.600 -0.317 0.000 1.051 311 K CA 0.970 57.084 56.287 -0.289 0.000 0.952 311 K CB -0.109 32.137 32.500 -0.424 0.000 0.736 311 K HN 0.464 nan 8.250 nan 0.000 0.453 312 F N 1.804 121.769 119.950 0.024 0.000 2.113 312 F HA -0.091 4.436 4.527 -0.000 0.000 0.297 312 F C 2.512 178.314 175.800 0.003 0.000 1.103 312 F CA 1.033 59.046 58.000 0.021 0.000 1.248 312 F CB -0.588 38.429 39.000 0.027 0.000 0.999 312 F HN 0.095 nan 8.300 nan 0.000 0.475 313 E N 1.104 121.407 120.200 0.171 0.000 2.110 313 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 313 E C 2.252 178.854 176.600 0.002 0.000 0.988 313 E CA 1.201 57.646 56.400 0.075 0.000 0.804 313 E CB -0.215 29.531 29.700 0.077 0.000 0.745 313 E HN 0.333 nan 8.360 nan 0.000 0.458 314 A N 0.829 123.645 122.820 -0.007 0.000 1.930 314 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 314 A C 2.350 179.881 177.584 -0.089 0.000 1.175 314 A CA 0.916 52.935 52.037 -0.030 0.000 0.627 314 A CB -0.357 18.633 19.000 -0.015 0.000 0.815 314 A HN 0.284 nan 8.150 nan 0.000 0.443 315 L N -1.508 119.675 121.223 -0.067 0.000 2.168 315 L HA 0.039 4.379 4.340 -0.000 0.000 0.203 315 L C 2.844 179.661 176.870 -0.089 0.000 1.078 315 L CA 0.848 55.661 54.840 -0.045 0.000 0.780 315 L CB -0.361 41.702 42.059 0.008 0.000 0.939 315 L HN 0.382 nan 8.230 nan 0.000 0.451 316 A N -0.185 122.603 122.820 -0.053 0.000 2.167 316 A HA 0.427 4.747 4.320 -0.000 0.000 0.214 316 A C 0.957 178.468 177.584 -0.122 0.000 1.151 316 A CA 0.948 52.967 52.037 -0.030 0.000 0.735 316 A CB -0.227 18.800 19.000 0.044 0.000 0.802 316 A HN 0.341 nan 8.150 nan 0.000 0.467 317 A N -1.481 121.185 122.820 -0.257 0.000 2.606 317 A HA 0.638 4.958 4.320 -0.000 0.000 0.293 317 A C -1.011 176.241 177.584 -0.553 0.000 1.082 317 A CA -0.571 51.306 52.037 -0.266 0.000 0.685 317 A CB 0.608 19.538 19.000 -0.116 0.000 1.284 317 A HN 0.270 nan 8.150 nan 0.000 0.408 318 H N 1.341 120.437 119.070 0.043 0.000 2.471 318 H HA 0.171 4.727 4.556 -0.000 0.000 0.234 318 H C -0.411 174.959 175.328 0.070 0.000 1.388 318 H CA -0.350 55.744 56.048 0.077 0.000 1.198 318 H CB 0.501 30.314 29.762 0.085 0.000 1.714 318 H HN 0.695 nan 8.280 nan 0.000 0.536 319 D N 0.882 121.336 120.400 0.091 0.000 2.219 319 D HA -0.073 4.567 4.640 -0.000 0.000 0.205 319 D C 2.058 178.403 176.300 0.075 0.000 0.970 319 D CA 0.735 54.771 54.000 0.061 0.000 0.851 319 D CB 0.294 41.109 40.800 0.026 0.000 0.943 319 D HN 0.462 nan 8.370 nan 0.000 0.488 320 A N 0.662 123.548 122.820 0.110 0.000 1.930 320 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 320 A C 2.325 179.926 177.584 0.029 0.000 1.175 320 A CA 0.686 52.746 52.037 0.038 0.000 0.627 320 A CB -0.640 18.339 19.000 -0.036 0.000 0.815 320 A HN 0.193 nan 8.150 nan 0.000 0.443 321 L N -0.434 120.863 121.223 0.123 0.000 2.083 321 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 321 L C 2.476 179.394 176.870 0.079 0.000 1.083 321 L CA 0.986 55.884 54.840 0.096 0.000 0.752 321 L CB -0.552 41.591 42.059 0.139 0.000 0.899 321 L HN 0.251 nan 8.230 nan 0.000 0.433 322 V N -0.116 119.848 119.914 0.083 0.000 2.358 322 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 322 V C 2.459 178.619 176.094 0.111 0.000 1.047 322 V CA 1.935 64.282 62.300 0.079 0.000 1.035 322 V CB -0.481 31.365 31.823 0.039 0.000 0.658 322 V HN 0.513 nan 8.190 nan 0.000 0.452 323 E N 0.069 120.303 120.200 0.058 0.000 2.051 323 E HA -0.265 4.085 4.350 -0.000 0.000 0.192 323 E C 2.211 178.814 176.600 0.004 0.000 0.991 323 E CA 1.577 57.992 56.400 0.026 0.000 0.799 323 E CB -0.143 29.554 29.700 -0.006 0.000 0.748 323 E HN 0.423 nan 8.360 nan 0.000 0.449 324 L N 0.767 121.983 121.223 -0.012 0.000 2.017 324 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 324 L C 2.501 179.369 176.870 -0.004 0.000 1.073 324 L CA 2.128 56.946 54.840 -0.037 0.000 0.745 324 L CB -0.908 41.112 42.059 -0.064 0.000 0.894 324 L HN 0.095 nan 8.230 nan 0.000 0.432 325 S N -0.582 115.156 115.700 0.063 0.000 2.374 325 S HA -0.180 4.290 4.470 -0.000 0.000 0.227 325 S C 2.068 176.676 174.600 0.013 0.000 1.037 325 S CA 1.402 59.685 58.200 0.137 0.000 1.024 325 S CB -0.919 62.471 63.200 0.316 0.000 0.861 325 S HN 0.685 nan 8.310 nan 0.000 0.456 326 G N 0.575 109.372 108.800 -0.005 0.000 2.442 326 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.219 326 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.219 326 G C 1.637 176.419 174.900 -0.198 0.000 1.141 326 G CA 1.021 45.974 45.100 -0.245 0.000 0.763 326 G HN 0.696 nan 8.290 nan 0.000 0.554 327 A N 0.435 123.190 122.820 -0.108 0.000 1.930 327 A HA 0.107 4.427 4.320 -0.000 0.000 0.217 327 A C 2.444 179.970 177.584 -0.096 0.000 1.175 327 A CA 1.628 53.609 52.037 -0.093 0.000 0.627 327 A CB -0.299 18.655 19.000 -0.075 0.000 0.815 327 A HN 0.387 nan 8.150 nan 0.000 0.443 328 M N -0.959 118.585 119.600 -0.093 0.000 2.254 328 M HA -0.120 4.360 4.480 -0.000 0.000 0.265 328 M C 2.091 178.327 176.300 -0.107 0.000 1.066 328 M CA 1.646 56.898 55.300 -0.080 0.000 1.123 328 M CB -0.444 32.126 32.600 -0.051 0.000 1.388 328 M HN 0.596 nan 8.290 nan 0.000 0.425 329 N N 0.155 118.745 118.700 -0.183 0.000 2.084 329 N HA -0.141 4.599 4.740 -0.000 0.000 0.190 329 N C 1.396 176.814 175.510 -0.152 0.000 1.030 329 N CA 2.162 55.076 53.050 -0.225 0.000 0.849 329 N CB -0.069 38.106 38.487 -0.520 0.000 1.012 329 N HN 0.174 nan 8.380 nan 0.000 0.423 330 T N -0.956 113.514 114.554 -0.140 0.000 2.708 330 T HA -0.120 4.229 4.350 -0.000 0.000 0.266 330 T C 1.772 176.436 174.700 -0.060 0.000 1.037 330 T CA 1.819 63.868 62.100 -0.085 0.000 1.146 330 T CB -0.879 67.949 68.868 -0.066 0.000 0.865 330 T HN 0.313 nan 8.240 nan 0.000 0.435 331 T N 2.201 116.719 114.554 -0.060 0.000 2.665 331 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 331 T C 2.389 177.053 174.700 -0.061 0.000 1.035 331 T CA 1.383 63.455 62.100 -0.047 0.000 1.151 331 T CB -0.681 68.159 68.868 -0.048 0.000 0.862 331 T HN 0.471 nan 8.240 nan 0.000 0.438 332 A N 0.473 123.250 122.820 -0.073 0.000 1.940 332 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 332 A C 2.729 180.267 177.584 -0.076 0.000 1.176 332 A CA 1.683 53.673 52.037 -0.078 0.000 0.631 332 A CB -1.335 17.622 19.000 -0.071 0.000 0.814 332 A HN 0.658 nan 8.150 nan 0.000 0.446 333 C N -0.871 118.390 119.300 -0.066 0.000 2.429 333 C HA -0.056 4.404 4.460 -0.000 0.000 0.277 333 C C 3.263 178.219 174.990 -0.057 0.000 1.262 333 C CA 1.230 60.214 59.018 -0.057 0.000 1.733 333 C CB -1.268 26.444 27.740 -0.047 0.000 2.010 333 C HN 0.631 nan 8.230 nan 0.000 0.483 334 S N 1.175 116.847 115.700 -0.048 0.000 2.359 334 S HA -0.125 4.345 4.470 -0.000 0.000 0.224 334 S C 1.720 176.267 174.600 -0.088 0.000 1.035 334 S CA 1.427 59.601 58.200 -0.043 0.000 1.018 334 S CB -0.399 62.793 63.200 -0.015 0.000 0.876 334 S HN 0.563 nan 8.310 nan 0.000 0.448 335 L N 0.266 121.423 121.223 -0.110 0.000 2.109 335 L HA -0.061 4.279 4.340 -0.000 0.000 0.207 335 L C 2.525 179.267 176.870 -0.214 0.000 1.086 335 L CA 0.896 55.629 54.840 -0.178 0.000 0.760 335 L CB -0.459 41.495 42.059 -0.175 0.000 0.910 335 L HN 0.317 nan 8.230 nan 0.000 0.437 336 M N 0.833 120.341 119.600 -0.153 0.000 2.073 336 M HA -0.269 4.211 4.480 -0.000 0.000 0.258 336 M C 2.245 178.464 176.300 -0.135 0.000 1.070 336 M CA 2.012 57.233 55.300 -0.132 0.000 1.103 336 M CB -0.236 32.312 32.600 -0.087 0.000 1.321 336 M HN -0.032 nan 8.290 nan 0.000 0.405 337 K N 0.134 120.461 120.400 -0.123 0.000 2.057 337 K HA -0.072 4.248 4.320 -0.000 0.000 0.207 337 K C 1.605 178.074 176.600 -0.219 0.000 1.049 337 K CA 1.996 58.211 56.287 -0.119 0.000 0.931 337 K CB -0.735 31.724 32.500 -0.068 0.000 0.714 337 K HN 0.554 nan 8.250 nan 0.000 0.440 338 I N 0.572 120.951 120.570 -0.319 0.000 2.142 338 I HA -0.245 3.925 4.170 -0.000 0.000 0.240 338 I C 2.388 178.242 176.117 -0.439 0.000 1.078 338 I CA 1.340 62.273 61.300 -0.611 0.000 1.343 338 I CB -0.494 37.211 38.000 -0.492 0.000 1.046 338 I HN 0.301 nan 8.210 nan 0.000 0.405 339 A N 0.676 123.284 122.820 -0.353 0.000 1.902 339 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 339 A C 2.067 179.587 177.584 -0.106 0.000 1.181 339 A CA 2.405 54.260 52.037 -0.304 0.000 0.623 339 A CB -0.932 17.757 19.000 -0.519 0.000 0.818 339 A HN 0.479 nan 8.150 nan 0.000 0.443 340 N N -0.051 118.598 118.700 -0.085 0.000 2.166 340 N HA -0.145 4.595 4.740 -0.000 0.000 0.186 340 N C 1.214 176.805 175.510 0.135 0.000 1.019 340 N CA 1.702 54.785 53.050 0.057 0.000 0.856 340 N CB -0.255 38.260 38.487 0.048 0.000 0.993 340 N HN 0.394 nan 8.380 nan 0.000 0.426 341 D N 0.032 120.434 120.400 0.003 0.000 2.092 341 D HA -0.095 4.545 4.640 -0.000 0.000 0.193 341 D C 1.913 178.271 176.300 0.098 0.000 0.994 341 D CA 0.892 54.917 54.000 0.043 0.000 0.828 341 D CB -0.264 40.514 40.800 -0.036 0.000 0.963 341 D HN 0.353 nan 8.370 nan 0.000 0.450 342 I N 0.397 120.979 120.570 0.020 0.000 2.264 342 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 342 I C 2.585 178.783 176.117 0.134 0.000 1.111 342 I CA 0.804 62.171 61.300 0.112 0.000 1.382 342 I CB -0.179 37.911 38.000 0.151 0.000 1.060 342 I HN -0.009 nan 8.210 nan 0.000 0.418 343 R N 0.859 121.430 120.500 0.119 0.000 2.080 343 R HA -0.207 4.133 4.340 -0.000 0.000 0.236 343 R C 2.384 178.677 176.300 -0.012 0.000 1.137 343 R CA 2.048 58.176 56.100 0.047 0.000 0.943 343 R CB -0.391 29.928 30.300 0.031 0.000 0.846 343 R HN 0.203 nan 8.270 nan 0.000 0.431 344 F N 0.768 120.733 119.950 0.026 0.000 2.163 344 F HA -0.095 4.432 4.527 -0.000 0.000 0.297 344 F C 2.299 178.122 175.800 0.039 0.000 1.094 344 F CA 0.976 58.992 58.000 0.027 0.000 1.290 344 F CB -0.199 38.814 39.000 0.020 0.000 1.017 344 F HN 0.004 nan 8.300 nan 0.000 0.483 345 L N -0.787 120.572 121.223 0.226 0.000 2.191 345 L HA -0.139 4.200 4.340 -0.000 0.000 0.212 345 L C 2.405 179.339 176.870 0.107 0.000 1.103 345 L CA 1.227 56.165 54.840 0.164 0.000 0.769 345 L CB -1.053 41.119 42.059 0.189 0.000 0.908 345 L HN 0.219 nan 8.230 nan 0.000 0.438 346 G N -0.736 108.116 108.800 0.087 0.000 2.985 346 G HA2 -0.047 3.912 3.960 -0.000 0.000 0.209 346 G HA3 -0.047 3.912 3.960 -0.000 0.000 0.209 346 G C 0.673 175.577 174.900 0.007 0.000 1.165 346 G CA 0.258 45.386 45.100 0.047 0.000 0.776 346 G HN 0.398 nan 8.290 nan 0.000 0.541 347 S N -0.417 115.279 115.700 -0.007 0.000 2.562 347 S HA 0.683 5.153 4.470 -0.000 0.000 0.281 347 S C 0.539 175.130 174.600 -0.016 0.000 1.333 347 S CA 0.226 58.398 58.200 -0.047 0.000 1.052 347 S CB 1.815 64.963 63.200 -0.086 0.000 0.884 347 S HN 1.133 nan 8.310 nan 0.000 0.506 348 G N 1.781 110.566 108.800 -0.025 0.000 2.441 348 G HA2 0.283 4.243 3.960 -0.000 0.000 0.222 348 G HA3 0.283 4.243 3.960 -0.000 0.000 0.222 348 G C -2.382 172.508 174.900 -0.016 0.000 1.254 348 G CA -0.166 44.927 45.100 -0.012 0.000 0.959 348 G HN 0.564 nan 8.290 nan 0.000 0.474 349 P HA 0.129 nan 4.420 nan 0.000 0.229 349 P C 1.020 178.318 177.300 -0.002 0.000 1.160 349 P CA 0.836 63.932 63.100 -0.005 0.000 0.777 349 P CB 0.267 31.964 31.700 -0.005 0.000 0.814 350 R N -1.617 118.882 120.500 -0.001 0.000 2.568 350 R HA 0.248 4.588 4.340 -0.000 0.000 0.254 350 R C 1.219 177.523 176.300 0.006 0.000 0.925 350 R CA 0.095 56.196 56.100 0.002 0.000 1.025 350 R CB 0.249 30.550 30.300 0.001 0.000 1.428 350 R HN -0.062 nan 8.270 nan 0.000 0.573 351 S N 0.533 116.236 115.700 0.005 0.000 2.575 351 S HA 0.255 4.725 4.470 -0.000 0.000 0.237 351 S C 0.429 175.040 174.600 0.018 0.000 0.975 351 S CA -0.185 58.021 58.200 0.011 0.000 0.960 351 S CB 1.250 64.455 63.200 0.008 0.000 0.822 351 S HN 0.421 nan 8.310 nan 0.000 0.472 352 G N 0.638 109.448 108.800 0.017 0.000 3.039 352 G HA2 0.549 4.508 3.960 -0.000 0.000 0.159 352 G HA3 0.549 4.508 3.960 -0.000 0.000 0.159 352 G C 0.498 175.426 174.900 0.047 0.000 1.284 352 G CA -0.567 44.552 45.100 0.032 0.000 0.996 352 G HN 0.239 nan 8.290 nan 0.000 0.592 353 L N -0.017 121.245 121.223 0.064 0.000 2.168 353 L HA 0.229 4.569 4.340 -0.000 0.000 0.203 353 L C 2.192 179.086 176.870 0.041 0.000 1.078 353 L CA 0.908 55.788 54.840 0.066 0.000 0.780 353 L CB -0.521 41.600 42.059 0.103 0.000 0.939 353 L HN 0.852 nan 8.230 nan 0.000 0.451 354 G N 0.525 109.346 108.800 0.034 0.000 2.179 354 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.257 354 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.257 354 G C 0.684 175.588 174.900 0.006 0.000 1.010 354 G CA 0.709 45.819 45.100 0.016 0.000 0.736 354 G HN 0.485 nan 8.290 nan 0.000 0.513 355 E N -1.012 119.197 120.200 0.015 0.000 2.122 355 E HA 0.167 4.517 4.350 -0.000 0.000 0.190 355 E C 1.189 177.764 176.600 -0.042 0.000 0.977 355 E CA 0.448 56.841 56.400 -0.012 0.000 0.820 355 E CB 0.197 29.903 29.700 0.010 0.000 0.770 355 E HN 0.567 nan 8.360 nan 0.000 0.462 356 L N 1.582 122.808 121.223 0.004 0.000 2.334 356 L HA 0.447 4.787 4.340 -0.000 0.000 0.276 356 L C -0.286 176.594 176.870 0.017 0.000 1.014 356 L CA -0.683 54.162 54.840 0.009 0.000 0.815 356 L CB 1.882 44.001 42.059 0.100 0.000 1.268 356 L HN -0.048 nan 8.230 nan 0.000 0.428 357 I N 4.081 124.658 120.570 0.012 0.000 2.328 357 I HA 0.308 4.478 4.170 -0.000 0.000 0.287 357 I C -0.252 175.885 176.117 0.034 0.000 1.012 357 I CA -0.304 61.007 61.300 0.017 0.000 1.195 357 I CB 1.103 39.107 38.000 0.006 0.000 1.350 357 I HN 0.327 nan 8.210 nan 0.000 0.464 358 L N 7.992 129.234 121.223 0.030 0.000 2.334 358 L HA 0.480 4.820 4.340 -0.000 0.000 0.277 358 L C -1.996 174.882 176.870 0.014 0.000 1.075 358 L CA -1.903 52.954 54.840 0.029 0.000 0.804 358 L CB 0.987 43.065 42.059 0.031 0.000 1.174 358 L HN 0.309 nan 8.230 nan 0.000 0.438 359 P HA 0.050 nan 4.420 nan 0.000 0.268 359 P C -0.669 176.632 177.300 0.002 0.000 1.205 359 P CA -0.179 62.922 63.100 0.000 0.000 0.771 359 P CB 0.531 32.225 31.700 -0.010 0.000 0.858 360 E N 2.267 122.468 120.200 0.002 0.000 2.366 360 E HA 0.028 4.377 4.350 -0.000 0.000 0.266 360 E C 0.539 177.141 176.600 0.003 0.000 1.015 360 E CA 0.179 56.581 56.400 0.003 0.000 0.906 360 E CB 0.238 29.939 29.700 0.002 0.000 0.979 360 E HN 0.362 nan 8.360 nan 0.000 0.443 361 N N 2.653 121.357 118.700 0.006 0.000 2.160 361 N HA 0.106 4.845 4.740 -0.000 0.000 0.226 361 N C -0.789 174.726 175.510 0.009 0.000 1.256 361 N CA 0.184 53.239 53.050 0.008 0.000 0.890 361 N CB 1.065 39.559 38.487 0.012 0.000 1.116 361 N HN 0.467 nan 8.380 nan 0.000 0.517 362 E N 0.751 120.955 120.200 0.007 0.000 2.408 362 E HA 0.376 4.726 4.350 -0.000 0.000 0.275 362 E C -2.475 174.128 176.600 0.004 0.000 0.935 362 E CA -1.655 54.748 56.400 0.006 0.000 0.775 362 E CB 2.185 31.888 29.700 0.006 0.000 1.277 362 E HN -0.034 nan 8.360 nan 0.000 0.455 363 P HA 0.079 nan 4.420 nan 0.000 0.268 363 P C -0.156 177.145 177.300 0.002 0.000 1.205 363 P CA -0.214 62.888 63.100 0.003 0.000 0.771 363 P CB 0.430 32.132 31.700 0.003 0.000 0.858 364 G N 1.194 109.994 108.800 0.001 0.000 2.527 364 G HA2 0.314 4.274 3.960 -0.000 0.000 0.248 364 G HA3 0.314 4.274 3.960 -0.000 0.000 0.248 364 G C -0.323 174.577 174.900 0.000 0.000 1.231 364 G CA -0.282 44.818 45.100 0.000 0.000 0.838 364 G HN 0.557 nan 8.290 nan 0.000 0.570 365 S N -0.910 114.789 115.700 -0.001 0.000 2.509 365 S HA 0.393 4.863 4.470 -0.000 0.000 0.297 365 S C 1.596 176.195 174.600 -0.001 0.000 1.118 365 S CA 0.036 58.236 58.200 -0.001 0.000 1.074 365 S CB 1.371 64.570 63.200 -0.001 0.000 1.038 365 S HN 0.912 nan 8.310 nan 0.000 0.498 366 S N 4.345 120.045 115.700 -0.000 0.000 2.406 366 S HA -0.061 4.409 4.470 -0.000 0.000 0.228 366 S C 1.515 176.115 174.600 -0.001 0.000 1.020 366 S CA 0.780 58.980 58.200 -0.000 0.000 0.965 366 S CB -0.667 62.533 63.200 0.000 0.000 0.798 366 S HN 0.714 nan 8.310 nan 0.000 0.488 367 I N 1.022 121.592 120.570 -0.001 0.000 2.830 367 I HA 0.128 4.298 4.170 -0.000 0.000 0.263 367 I C 1.050 177.166 176.117 -0.002 0.000 1.230 367 I CA 1.023 62.322 61.300 -0.001 0.000 1.480 367 I CB -0.402 37.597 38.000 -0.001 0.000 1.095 367 I HN 0.273 nan 8.210 nan 0.000 0.455 368 M N 1.135 120.734 119.600 -0.003 0.000 2.067 368 M HA 0.329 4.809 4.480 -0.000 0.000 0.214 368 M C -2.536 173.762 176.300 -0.004 0.000 0.891 368 M CA -1.554 53.743 55.300 -0.004 0.000 0.697 368 M CB 1.114 33.711 32.600 -0.005 0.000 1.616 368 M HN -0.267 nan 8.290 nan 0.000 0.354 369 P HA 0.182 nan 4.420 nan 0.000 0.267 369 P C 1.016 178.314 177.300 -0.003 0.000 1.209 369 P CA 1.077 64.176 63.100 -0.003 0.000 0.763 369 P CB 0.724 32.423 31.700 -0.002 0.000 0.816 370 G N 2.201 110.999 108.800 -0.003 0.000 2.225 370 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.254 370 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.254 370 G C 0.355 175.251 174.900 -0.005 0.000 0.988 370 G CA -0.129 44.969 45.100 -0.004 0.000 0.625 370 G HN 0.644 nan 8.290 nan 0.000 0.527 371 K N 0.640 121.036 120.400 -0.007 0.000 2.447 371 K HA 0.421 4.741 4.320 -0.000 0.000 0.281 371 K C -0.337 176.258 176.600 -0.008 0.000 1.031 371 K CA 0.147 56.428 56.287 -0.010 0.000 1.019 371 K CB 0.488 32.981 32.500 -0.011 0.000 0.918 371 K HN 0.109 nan 8.250 nan 0.000 0.476 372 V N 5.418 125.326 119.914 -0.010 0.000 2.419 372 V HA 0.128 4.247 4.120 -0.000 0.000 0.287 372 V C -0.774 175.315 176.094 -0.009 0.000 1.017 372 V CA -1.214 61.082 62.300 -0.006 0.000 0.844 372 V CB 1.340 33.162 31.823 -0.002 0.000 1.011 372 V HN 0.775 nan 8.190 nan 0.000 0.429 373 N N 6.370 125.065 118.700 -0.008 0.000 2.497 373 N HA 0.277 5.017 4.740 -0.000 0.000 0.271 373 N C -2.140 173.371 175.510 0.001 0.000 1.142 373 N CA -1.582 51.461 53.050 -0.012 0.000 0.965 373 N CB 1.191 39.672 38.487 -0.011 0.000 1.077 373 N HN 0.394 nan 8.380 nan 0.000 0.462 374 P HA 0.026 nan 4.420 nan 0.000 0.235 374 P C 0.822 178.150 177.300 0.047 0.000 1.765 374 P CA -0.077 63.041 63.100 0.030 0.000 1.034 374 P CB -0.532 31.181 31.700 0.021 0.000 1.984 375 T N -1.182 113.398 114.554 0.044 0.000 2.684 375 T HA -0.238 4.112 4.350 -0.000 0.000 0.267 375 T C 1.704 176.449 174.700 0.074 0.000 1.036 375 T CA 1.120 63.247 62.100 0.045 0.000 1.148 375 T CB -0.568 68.322 68.868 0.036 0.000 0.863 375 T HN 0.110 nan 8.240 nan 0.000 0.436 376 Q N 0.261 120.136 119.800 0.126 0.000 2.167 376 Q HA 0.033 4.373 4.340 -0.000 0.000 0.202 376 Q C 2.783 178.930 176.000 0.245 0.000 0.970 376 Q CA 1.064 57.000 55.803 0.222 0.000 0.855 376 Q CB -1.105 27.826 28.738 0.322 0.000 0.911 376 Q HN 0.659 nan 8.270 nan 0.000 0.438 377 C N 1.124 120.567 119.300 0.240 0.000 2.413 377 C HA -0.131 4.328 4.460 -0.000 0.000 0.276 377 C C 2.520 177.495 174.990 -0.025 0.000 1.248 377 C CA 0.760 59.831 59.018 0.089 0.000 1.742 377 C CB -0.705 27.109 27.740 0.123 0.000 2.017 377 C HN 0.561 nan 8.230 nan 0.000 0.481 378 E N 0.903 121.109 120.200 0.009 0.000 2.047 378 E HA -0.107 4.242 4.350 -0.000 0.000 0.191 378 E C 2.423 179.012 176.600 -0.018 0.000 0.987 378 E CA 1.208 57.603 56.400 -0.008 0.000 0.799 378 E CB -0.306 29.396 29.700 0.003 0.000 0.752 378 E HN 0.630 nan 8.360 nan 0.000 0.449 379 A N 1.339 124.159 122.820 0.000 0.000 1.873 379 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 379 A C 2.196 179.750 177.584 -0.050 0.000 1.193 379 A CA 2.079 54.113 52.037 -0.006 0.000 0.629 379 A CB -0.585 18.429 19.000 0.024 0.000 0.826 379 A HN 0.243 nan 8.150 nan 0.000 0.447 380 M N 0.774 120.313 119.600 -0.102 0.000 2.080 380 M HA -0.141 4.339 4.480 -0.000 0.000 0.260 380 M C 2.212 178.409 176.300 -0.172 0.000 1.068 380 M CA 2.893 58.073 55.300 -0.201 0.000 1.109 380 M CB -1.056 31.261 32.600 -0.472 0.000 1.342 380 M HN 0.598 nan 8.290 nan 0.000 0.405 381 T N -1.712 112.750 114.554 -0.152 0.000 2.788 381 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 381 T C 1.877 176.537 174.700 -0.066 0.000 1.044 381 T CA 1.794 63.831 62.100 -0.106 0.000 1.139 381 T CB -0.667 68.156 68.868 -0.076 0.000 0.867 381 T HN 0.490 nan 8.240 nan 0.000 0.454 382 M N 0.654 120.224 119.600 -0.050 0.000 2.086 382 M HA -0.057 4.423 4.480 -0.000 0.000 0.261 382 M C 2.578 178.855 176.300 -0.038 0.000 1.067 382 M CA 1.330 56.612 55.300 -0.030 0.000 1.116 382 M CB -0.694 31.898 32.600 -0.014 0.000 1.348 382 M HN 0.162 nan 8.290 nan 0.000 0.407 383 V N 0.600 120.479 119.914 -0.058 0.000 2.287 383 V HA -0.306 3.814 4.120 -0.000 0.000 0.248 383 V C 2.658 178.705 176.094 -0.078 0.000 1.053 383 V CA 2.151 64.405 62.300 -0.077 0.000 1.027 383 V CB -1.201 30.568 31.823 -0.090 0.000 0.646 383 V HN 0.545 nan 8.190 nan 0.000 0.447 384 A N -0.081 122.688 122.820 -0.084 0.000 1.883 384 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 384 A C 2.433 179.988 177.584 -0.048 0.000 1.186 384 A CA 2.451 54.442 52.037 -0.077 0.000 0.624 384 A CB -0.940 18.004 19.000 -0.094 0.000 0.822 384 A HN 0.622 nan 8.150 nan 0.000 0.444 385 A N -1.257 121.541 122.820 -0.036 0.000 1.933 385 A HA -0.201 4.118 4.320 -0.000 0.000 0.218 385 A C 2.145 179.730 177.584 0.003 0.000 1.175 385 A CA 2.184 54.213 52.037 -0.013 0.000 0.628 385 A CB -0.510 18.486 19.000 -0.007 0.000 0.814 385 A HN 0.557 nan 8.150 nan 0.000 0.444 386 Q N -0.059 119.739 119.800 -0.003 0.000 2.084 386 Q HA -0.107 4.233 4.340 -0.000 0.000 0.202 386 Q C 1.863 177.878 176.000 0.024 0.000 0.978 386 Q CA 2.161 57.975 55.803 0.018 0.000 0.844 386 Q CB -0.609 28.126 28.738 -0.004 0.000 0.898 386 Q HN 0.350 nan 8.270 nan 0.000 0.426 387 V N 0.358 120.265 119.914 -0.012 0.000 2.490 387 V HA -0.288 3.832 4.120 -0.000 0.000 0.250 387 V C 2.210 178.334 176.094 0.050 0.000 1.061 387 V CA 2.002 64.303 62.300 0.003 0.000 1.064 387 V CB -0.586 31.215 31.823 -0.037 0.000 0.670 387 V HN 0.433 nan 8.190 nan 0.000 0.461 388 M N 0.212 119.834 119.600 0.036 0.000 2.132 388 M HA -0.018 4.461 4.480 -0.000 0.000 0.263 388 M C 2.316 178.675 176.300 0.099 0.000 1.065 388 M CA 2.000 57.338 55.300 0.062 0.000 1.122 388 M CB -0.833 31.783 32.600 0.027 0.000 1.365 388 M HN 0.445 nan 8.290 nan 0.000 0.411 389 G N 0.507 109.353 108.800 0.076 0.000 2.421 389 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.216 389 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.216 389 G C 1.296 176.253 174.900 0.094 0.000 1.171 389 G CA 0.961 46.107 45.100 0.077 0.000 0.775 389 G HN 0.346 nan 8.290 nan 0.000 0.543 390 N N 0.144 118.915 118.700 0.118 0.000 2.166 390 N HA -0.104 4.636 4.740 -0.000 0.000 0.186 390 N C 1.835 177.417 175.510 0.119 0.000 1.019 390 N CA 1.320 54.452 53.050 0.136 0.000 0.856 390 N CB -0.572 38.012 38.487 0.162 0.000 0.993 390 N HN 0.541 nan 8.380 nan 0.000 0.426 391 H N 0.391 119.485 119.070 0.039 0.000 2.387 391 H HA 0.046 4.602 4.556 -0.000 0.000 0.299 391 H C 1.765 177.106 175.328 0.022 0.000 1.090 391 H CA 1.219 57.282 56.048 0.025 0.000 1.332 391 H CB -0.158 29.609 29.762 0.009 0.000 1.386 391 H HN -0.062 nan 8.280 nan 0.000 0.516 392 V N 0.607 120.481 119.914 -0.067 0.000 2.358 392 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 392 V C 2.738 178.779 176.094 -0.089 0.000 1.047 392 V CA 1.526 63.764 62.300 -0.104 0.000 1.035 392 V CB -1.273 30.542 31.823 -0.012 0.000 0.658 392 V HN 0.681 nan 8.190 nan 0.000 0.452 393 A N 0.030 122.840 122.820 -0.018 0.000 1.883 393 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 393 A C 2.395 179.974 177.584 -0.008 0.000 1.186 393 A CA 2.254 54.304 52.037 0.022 0.000 0.624 393 A CB -0.755 18.299 19.000 0.091 0.000 0.822 393 A HN 0.345 nan 8.150 nan 0.000 0.444 394 V N -0.253 119.637 119.914 -0.039 0.000 2.343 394 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 394 V C 2.727 178.749 176.094 -0.121 0.000 1.051 394 V CA 2.448 64.720 62.300 -0.046 0.000 1.036 394 V CB -1.376 30.433 31.823 -0.022 0.000 0.654 394 V HN 0.618 nan 8.190 nan 0.000 0.451 395 T N 0.215 114.627 114.554 -0.238 0.000 2.652 395 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 395 T C 1.975 176.565 174.700 -0.184 0.000 1.039 395 T CA 1.804 63.763 62.100 -0.235 0.000 1.153 395 T CB -0.316 68.368 68.868 -0.307 0.000 0.863 395 T HN 0.285 nan 8.240 nan 0.000 0.428 396 V N 1.482 121.294 119.914 -0.169 0.000 2.287 396 V HA -0.146 3.974 4.120 -0.000 0.000 0.248 396 V C 2.891 178.765 176.094 -0.368 0.000 1.053 396 V CA 2.068 64.249 62.300 -0.199 0.000 1.027 396 V CB -1.475 30.274 31.823 -0.123 0.000 0.646 396 V HN 0.617 nan 8.190 nan 0.000 0.447 397 G N 0.028 108.637 108.800 -0.317 0.000 2.446 397 G HA2 -0.187 3.772 3.960 -0.000 0.000 0.217 397 G HA3 -0.187 3.772 3.960 -0.000 0.000 0.217 397 G C 1.648 176.305 174.900 -0.404 0.000 1.168 397 G CA 1.004 45.807 45.100 -0.496 0.000 0.771 397 G HN 0.604 nan 8.290 nan 0.000 0.551 398 G N 0.796 109.484 108.800 -0.188 0.000 2.442 398 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.219 398 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.219 398 G C 2.187 176.981 174.900 -0.177 0.000 1.141 398 G CA 1.940 46.972 45.100 -0.113 0.000 0.763 398 G HN 0.780 nan 8.290 nan 0.000 0.554 399 S N 0.124 115.684 115.700 -0.234 0.000 2.481 399 S HA 0.030 4.500 4.470 -0.000 0.000 0.231 399 S C 1.533 175.967 174.600 -0.275 0.000 0.996 399 S CA 0.698 58.771 58.200 -0.211 0.000 0.942 399 S CB -0.062 63.029 63.200 -0.181 0.000 0.768 399 S HN 0.245 nan 8.310 nan 0.000 0.520 400 N N 2.024 120.459 118.700 -0.443 0.000 2.321 400 N HA 0.266 5.006 4.740 -0.000 0.000 0.242 400 N C 0.496 175.679 175.510 -0.545 0.000 1.141 400 N CA 0.211 52.943 53.050 -0.531 0.000 0.864 400 N CB 0.560 38.536 38.487 -0.851 0.000 1.100 400 N HN 0.539 nan 8.380 nan 0.000 0.510 401 G N -0.187 108.392 108.800 -0.370 0.000 2.484 401 G HA2 0.038 3.998 3.960 -0.000 0.000 0.235 401 G HA3 0.038 3.998 3.960 -0.000 0.000 0.235 401 G C -0.729 173.868 174.900 -0.505 0.000 1.282 401 G CA 0.063 44.977 45.100 -0.309 0.000 0.857 401 G HN 0.428 nan 8.290 nan 0.000 0.571 402 H N 1.078 120.114 119.070 -0.057 0.000 2.800 402 H HA 0.430 4.986 4.556 -0.000 0.000 0.322 402 H C 0.087 175.353 175.328 -0.104 0.000 0.979 402 H CA -0.763 55.132 56.048 -0.256 0.000 1.277 402 H CB 0.863 30.563 29.762 -0.103 0.000 1.484 402 H HN 0.509 nan 8.280 nan 0.000 0.512 403 F N 0.418 120.460 119.950 0.153 0.000 2.426 403 F HA -0.407 4.120 4.527 -0.000 0.000 0.283 403 F C 1.701 177.560 175.800 0.098 0.000 1.467 403 F CA 1.277 59.340 58.000 0.106 0.000 1.793 403 F CB -0.932 38.127 39.000 0.098 0.000 1.994 403 F HN 0.455 nan 8.300 nan 0.000 0.187 404 E N 0.520 120.927 120.200 0.344 0.000 2.502 404 E HA 0.339 4.689 4.350 -0.000 0.000 0.194 404 E C -0.336 176.368 176.600 0.173 0.000 1.062 404 E CA 0.497 57.038 56.400 0.235 0.000 0.867 404 E CB 0.108 29.940 29.700 0.220 0.000 0.888 404 E HN 0.305 nan 8.360 nan 0.000 0.510 405 L N 0.699 122.023 121.223 0.168 0.000 2.562 405 L HA 0.319 4.659 4.340 -0.000 0.000 0.266 405 L C -1.380 175.561 176.870 0.119 0.000 0.949 405 L CA -0.481 54.436 54.840 0.129 0.000 0.879 405 L CB 1.714 43.857 42.059 0.140 0.000 1.278 405 L HN -0.178 nan 8.230 nan 0.000 0.404 406 N N 3.630 122.376 118.700 0.077 0.000 2.430 406 N HA 0.186 4.926 4.740 -0.000 0.000 0.265 406 N C -0.111 175.524 175.510 0.208 0.000 1.100 406 N CA -0.000 53.122 53.050 0.121 0.000 0.961 406 N CB 1.453 39.989 38.487 0.082 0.000 1.075 406 N HN 0.509 nan 8.380 nan 0.000 0.478 407 V N 2.145 122.188 119.914 0.216 0.000 2.908 407 V HA 0.420 4.540 4.120 -0.000 0.000 0.369 407 V C -0.288 175.748 176.094 -0.096 0.000 1.259 407 V CA -0.336 62.006 62.300 0.071 0.000 1.406 407 V CB -1.364 30.473 31.823 0.024 0.000 1.475 407 V HN 0.412 nan 8.190 nan 0.000 0.587 408 F N 0.060 120.034 119.950 0.041 0.000 2.764 408 F HA 0.469 4.996 4.527 -0.000 0.000 0.310 408 F C 1.799 177.606 175.800 0.010 0.000 1.124 408 F CA -0.614 57.407 58.000 0.034 0.000 1.252 408 F CB 0.592 39.618 39.000 0.043 0.000 1.010 408 F HN 0.110 nan 8.300 nan 0.000 0.518 409 K N 0.735 121.186 120.400 0.085 0.000 1.991 409 K HA -0.139 4.181 4.320 -0.000 0.000 0.212 409 K C -0.677 175.943 176.600 0.033 0.000 1.049 409 K CA 1.741 58.042 56.287 0.023 0.000 0.932 409 K CB -1.437 31.052 32.500 -0.019 0.000 0.717 409 K HN 0.169 nan 8.250 nan 0.000 0.441 410 P HA -0.198 nan 4.420 nan 0.000 0.216 410 P C 1.555 178.790 177.300 -0.109 0.000 1.153 410 P CA 1.703 64.740 63.100 -0.106 0.000 0.858 410 P CB -0.108 31.380 31.700 -0.354 0.000 0.789 411 M N -3.024 116.504 119.600 -0.119 0.000 2.229 411 M HA -0.048 4.432 4.480 -0.000 0.000 0.264 411 M C 1.996 178.327 176.300 0.052 0.000 1.063 411 M CA 2.145 57.407 55.300 -0.062 0.000 1.114 411 M CB -1.458 31.252 32.600 0.184 0.000 1.387 411 M HN -0.207 nan 8.290 nan 0.000 0.420 412 M N -0.196 119.456 119.600 0.087 0.000 2.086 412 M HA -0.070 4.410 4.480 -0.000 0.000 0.261 412 M C 2.232 178.565 176.300 0.055 0.000 1.067 412 M CA 1.502 56.851 55.300 0.082 0.000 1.116 412 M CB -0.612 32.042 32.600 0.089 0.000 1.348 412 M HN 0.446 nan 8.290 nan 0.000 0.407 413 I N 0.412 121.008 120.570 0.043 0.000 2.353 413 I HA -0.205 3.965 4.170 -0.000 0.000 0.248 413 I C 2.527 178.657 176.117 0.022 0.000 1.119 413 I CA 1.514 62.829 61.300 0.024 0.000 1.417 413 I CB -0.490 37.507 38.000 -0.006 0.000 1.078 413 I HN 0.085 nan 8.210 nan 0.000 0.421 414 K N 0.599 121.001 120.400 0.003 0.000 2.032 414 K HA -0.186 4.134 4.320 -0.000 0.000 0.209 414 K C 1.989 178.622 176.600 0.055 0.000 1.048 414 K CA 2.028 58.305 56.287 -0.016 0.000 0.927 414 K CB -0.997 31.431 32.500 -0.121 0.000 0.712 414 K HN 0.610 nan 8.250 nan 0.000 0.441 415 N N 0.184 118.931 118.700 0.079 0.000 2.120 415 N HA -0.098 4.641 4.740 -0.000 0.000 0.188 415 N C 1.873 177.464 175.510 0.134 0.000 1.024 415 N CA 1.742 54.876 53.050 0.140 0.000 0.852 415 N CB -0.417 38.149 38.487 0.131 0.000 1.003 415 N HN 0.219 nan 8.380 nan 0.000 0.424 416 V N 2.038 122.006 119.914 0.090 0.000 2.295 416 V HA -0.178 3.942 4.120 -0.000 0.000 0.246 416 V C 2.443 178.573 176.094 0.059 0.000 1.049 416 V CA 1.262 63.602 62.300 0.068 0.000 1.024 416 V CB -0.447 31.405 31.823 0.048 0.000 0.648 416 V HN 0.226 nan 8.190 nan 0.000 0.447 417 L N -0.994 120.268 121.223 0.064 0.000 2.109 417 L HA -0.164 4.176 4.340 -0.000 0.000 0.207 417 L C 2.548 179.479 176.870 0.102 0.000 1.086 417 L CA 1.708 56.584 54.840 0.059 0.000 0.760 417 L CB -0.819 41.266 42.059 0.042 0.000 0.910 417 L HN 0.473 nan 8.230 nan 0.000 0.437 418 H N -0.207 118.873 119.070 0.017 0.000 2.290 418 H HA -0.173 4.383 4.556 -0.000 0.000 0.298 418 H C 2.399 177.740 175.328 0.021 0.000 1.087 418 H CA 1.820 57.882 56.048 0.024 0.000 1.291 418 H CB 0.407 30.191 29.762 0.038 0.000 1.369 418 H HN 0.240 nan 8.280 nan 0.000 0.492 419 S N 0.431 116.123 115.700 -0.012 0.000 2.359 419 S HA -0.187 4.283 4.470 -0.000 0.000 0.224 419 S C 2.425 176.987 174.600 -0.064 0.000 1.035 419 S CA 1.008 59.163 58.200 -0.075 0.000 1.018 419 S CB -0.497 62.700 63.200 -0.006 0.000 0.876 419 S HN 0.611 nan 8.310 nan 0.000 0.448 420 A N 1.901 124.707 122.820 -0.024 0.000 1.873 420 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 420 A C 2.080 179.647 177.584 -0.027 0.000 1.193 420 A CA 2.214 54.235 52.037 -0.026 0.000 0.629 420 A CB -0.663 18.330 19.000 -0.013 0.000 0.826 420 A HN 0.422 nan 8.150 nan 0.000 0.447 421 R N -0.145 120.346 120.500 -0.016 0.000 2.073 421 R HA -0.011 4.328 4.340 -0.000 0.000 0.234 421 R C 1.969 178.250 176.300 -0.032 0.000 1.134 421 R CA 1.705 57.801 56.100 -0.008 0.000 0.952 421 R CB -0.715 29.599 30.300 0.023 0.000 0.850 421 R HN 0.500 nan 8.270 nan 0.000 0.433 422 L N 0.084 121.256 121.223 -0.085 0.000 2.017 422 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 422 L C 2.422 179.248 176.870 -0.074 0.000 1.073 422 L CA 1.360 56.136 54.840 -0.106 0.000 0.745 422 L CB -0.527 41.404 42.059 -0.213 0.000 0.894 422 L HN 0.242 nan 8.230 nan 0.000 0.432 423 L N -0.565 120.614 121.223 -0.074 0.000 2.017 423 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 423 L C 2.698 179.550 176.870 -0.030 0.000 1.073 423 L CA 1.523 56.329 54.840 -0.056 0.000 0.745 423 L CB -1.234 40.791 42.059 -0.057 0.000 0.894 423 L HN 0.327 nan 8.230 nan 0.000 0.432 424 G N -0.278 108.510 108.800 -0.021 0.000 2.480 424 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.216 424 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.216 424 G C 1.116 176.022 174.900 0.010 0.000 1.200 424 G CA 1.039 46.137 45.100 -0.003 0.000 0.782 424 G HN 0.294 nan 8.290 nan 0.000 0.554 425 D N 0.909 121.313 120.400 0.007 0.000 2.144 425 D HA -0.007 4.633 4.640 -0.000 0.000 0.199 425 D C 2.781 179.097 176.300 0.027 0.000 0.984 425 D CA 1.240 55.251 54.000 0.018 0.000 0.834 425 D CB -0.470 40.340 40.800 0.016 0.000 0.955 425 D HN 0.310 nan 8.370 nan 0.000 0.465 426 A N 0.325 123.153 122.820 0.013 0.000 1.930 426 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 426 A C 2.400 180.025 177.584 0.068 0.000 1.175 426 A CA 1.617 53.668 52.037 0.023 0.000 0.627 426 A CB -0.517 18.467 19.000 -0.028 0.000 0.815 426 A HN 0.141 nan 8.150 nan 0.000 0.443 427 S N -0.372 115.359 115.700 0.051 0.000 2.370 427 S HA -0.137 4.333 4.470 -0.000 0.000 0.226 427 S C 1.883 176.553 174.600 0.117 0.000 1.033 427 S CA 1.521 59.779 58.200 0.095 0.000 1.011 427 S CB -0.414 62.821 63.200 0.058 0.000 0.852 427 S HN 0.358 nan 8.310 nan 0.000 0.457 428 V N 0.908 120.868 119.914 0.077 0.000 2.358 428 V HA -0.112 4.008 4.120 -0.000 0.000 0.246 428 V C 2.531 178.669 176.094 0.072 0.000 1.047 428 V CA 1.870 64.209 62.300 0.065 0.000 1.035 428 V CB -0.775 31.075 31.823 0.044 0.000 0.658 428 V HN 0.522 nan 8.190 nan 0.000 0.452 429 S N -0.541 115.210 115.700 0.085 0.000 2.355 429 S HA -0.190 4.280 4.470 -0.000 0.000 0.222 429 S C 1.935 176.608 174.600 0.122 0.000 1.031 429 S CA 1.629 59.881 58.200 0.085 0.000 0.993 429 S CB -0.434 62.814 63.200 0.080 0.000 0.859 429 S HN 0.534 nan 8.310 nan 0.000 0.453 430 F N 2.358 122.310 119.950 0.002 0.000 2.161 430 F HA -0.082 4.445 4.527 -0.000 0.000 0.300 430 F C 2.347 178.155 175.800 0.013 0.000 1.089 430 F CA 2.017 60.019 58.000 0.003 0.000 1.282 430 F CB -1.028 37.966 39.000 -0.009 0.000 1.010 430 F HN 0.200 nan 8.300 nan 0.000 0.485 431 T N -0.015 114.557 114.554 0.029 0.000 2.643 431 T HA -0.194 4.156 4.350 -0.000 0.000 0.264 431 T C 1.770 176.422 174.700 -0.081 0.000 1.045 431 T CA 1.893 63.959 62.100 -0.057 0.000 1.155 431 T CB -0.339 68.544 68.868 0.025 0.000 0.863 431 T HN 0.357 nan 8.240 nan 0.000 0.420 432 E N 0.908 121.091 120.200 -0.029 0.000 2.152 432 E HA -0.008 4.342 4.350 -0.000 0.000 0.192 432 E C 1.373 177.952 176.600 -0.036 0.000 0.983 432 E CA 0.622 57.007 56.400 -0.025 0.000 0.818 432 E CB 0.053 29.753 29.700 -0.001 0.000 0.758 432 E HN 0.350 nan 8.360 nan 0.000 0.467 433 N N -0.881 117.795 118.700 -0.040 0.000 2.187 433 N HA 0.062 4.802 4.740 -0.000 0.000 0.212 433 N C 0.562 176.027 175.510 -0.075 0.000 1.152 433 N CA 0.108 53.137 53.050 -0.035 0.000 0.872 433 N CB 0.887 39.376 38.487 0.003 0.000 1.025 433 N HN 0.111 nan 8.380 nan 0.000 0.514 434 C N -1.413 117.780 119.300 -0.179 0.000 3.115 434 C HA 0.223 4.683 4.460 -0.000 0.000 0.281 434 C C 2.319 177.148 174.990 -0.267 0.000 2.312 434 C CA 0.126 58.989 59.018 -0.258 0.000 1.650 434 C CB -0.224 27.243 27.740 -0.455 0.000 1.514 434 C HN 0.033 nan 8.230 nan 0.000 0.707 435 V N 3.126 122.786 119.914 -0.423 0.000 2.282 435 V HA -0.205 3.915 4.120 -0.000 0.000 0.249 435 V C 2.651 178.683 176.094 -0.104 0.000 1.057 435 V CA 2.808 64.961 62.300 -0.244 0.000 1.032 435 V CB -1.039 30.647 31.823 -0.228 0.000 0.645 435 V HN 0.715 nan 8.190 nan 0.000 0.447 436 V N -0.412 119.440 119.914 -0.104 0.000 2.720 436 V HA -0.019 4.101 4.120 -0.000 0.000 0.256 436 V C 2.107 178.164 176.094 -0.061 0.000 1.082 436 V CA 2.127 64.381 62.300 -0.077 0.000 1.101 436 V CB -1.304 30.482 31.823 -0.062 0.000 0.693 436 V HN 0.453 nan 8.190 nan 0.000 0.479 437 G N -0.254 108.515 108.800 -0.051 0.000 3.042 437 G HA2 0.283 4.243 3.960 -0.000 0.000 0.212 437 G HA3 0.283 4.243 3.960 -0.000 0.000 0.212 437 G C 0.564 175.470 174.900 0.011 0.000 1.166 437 G CA -0.347 44.739 45.100 -0.023 0.000 0.767 437 G HN 0.537 nan 8.290 nan 0.000 0.546 438 I N 1.519 122.108 120.570 0.032 0.000 2.683 438 I HA 0.082 4.252 4.170 -0.000 0.000 0.286 438 I C 0.291 176.529 176.117 0.202 0.000 1.175 438 I CA 0.230 61.603 61.300 0.122 0.000 1.429 438 I CB 0.849 38.977 38.000 0.213 0.000 1.371 438 I HN -0.009 nan 8.210 nan 0.000 0.569 439 Q N 4.154 124.050 119.800 0.159 0.000 2.351 439 Q HA 0.769 5.109 4.340 -0.000 0.000 0.273 439 Q C -0.291 175.697 176.000 -0.020 0.000 1.077 439 Q CA -0.966 54.923 55.803 0.144 0.000 0.843 439 Q CB 2.348 31.123 28.738 0.063 0.000 1.367 439 Q HN 0.796 nan 8.270 nan 0.000 0.449 440 A N 1.496 124.197 122.820 -0.197 0.000 2.306 440 A HA 0.599 4.918 4.320 -0.000 0.000 0.314 440 A C -0.071 177.413 177.584 -0.166 0.000 1.164 440 A CA -0.594 51.226 52.037 -0.362 0.000 0.822 440 A CB 0.462 19.042 19.000 -0.701 0.000 1.130 440 A HN 0.608 nan 8.150 nan 0.000 0.496 441 N N 1.845 120.468 118.700 -0.129 0.000 2.868 441 N HA 0.078 4.818 4.740 -0.000 0.000 0.252 441 N C 1.250 176.712 175.510 -0.081 0.000 1.130 441 N CA 0.489 53.493 53.050 -0.077 0.000 1.026 441 N CB 0.378 38.837 38.487 -0.047 0.000 1.335 441 N HN 0.664 nan 8.380 nan 0.000 0.516 442 T N -1.364 113.141 114.554 -0.082 0.000 2.867 442 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 442 T C 1.520 176.191 174.700 -0.047 0.000 1.057 442 T CA 1.070 63.126 62.100 -0.074 0.000 1.136 442 T CB -0.130 68.700 68.868 -0.062 0.000 0.874 442 T HN 0.274 nan 8.240 nan 0.000 0.466 443 E N 1.279 121.457 120.200 -0.036 0.000 2.038 443 E HA -0.121 4.229 4.350 -0.000 0.000 0.195 443 E C 2.338 178.924 176.600 -0.023 0.000 1.000 443 E CA 1.387 57.773 56.400 -0.025 0.000 0.803 443 E CB -0.424 29.264 29.700 -0.019 0.000 0.750 443 E HN 0.749 nan 8.360 nan 0.000 0.448 444 R N -0.139 120.346 120.500 -0.025 0.000 2.090 444 R HA 0.022 4.362 4.340 -0.000 0.000 0.228 444 R C 2.585 178.872 176.300 -0.021 0.000 1.110 444 R CA 1.226 57.315 56.100 -0.019 0.000 0.973 444 R CB -0.352 29.939 30.300 -0.016 0.000 0.869 444 R HN 0.313 nan 8.270 nan 0.000 0.440 445 I N 1.601 122.151 120.570 -0.035 0.000 2.151 445 I HA -0.350 3.820 4.170 -0.000 0.000 0.243 445 I C 1.620 177.721 176.117 -0.027 0.000 1.080 445 I CA 1.470 62.748 61.300 -0.037 0.000 1.339 445 I CB -0.367 37.594 38.000 -0.065 0.000 1.039 445 I HN 0.263 nan 8.210 nan 0.000 0.409 446 N N 0.785 119.468 118.700 -0.028 0.000 2.109 446 N HA -0.181 4.559 4.740 -0.000 0.000 0.188 446 N C 1.724 177.226 175.510 -0.014 0.000 1.034 446 N CA 1.049 54.086 53.050 -0.021 0.000 0.846 446 N CB -0.448 38.026 38.487 -0.021 0.000 1.010 446 N HN 0.287 nan 8.380 nan 0.000 0.425 447 K N 1.025 121.418 120.400 -0.013 0.000 2.160 447 K HA -0.076 4.244 4.320 -0.000 0.000 0.206 447 K C 0.790 177.386 176.600 -0.006 0.000 1.047 447 K CA 0.913 57.195 56.287 -0.008 0.000 0.930 447 K CB -0.145 32.350 32.500 -0.008 0.000 0.720 447 K HN 0.183 nan 8.250 nan 0.000 0.450 448 L N 1.169 122.389 121.223 -0.006 0.000 2.779 448 L HA 0.054 4.394 4.340 -0.000 0.000 0.239 448 L C 1.363 178.232 176.870 -0.002 0.000 1.245 448 L CA -0.366 54.473 54.840 -0.001 0.000 1.064 448 L CB 0.042 42.102 42.059 0.001 0.000 1.350 448 L HN 0.350 nan 8.230 nan 0.000 0.455 449 M N -0.376 119.221 119.600 -0.004 0.000 2.741 449 M HA 0.140 4.620 4.480 -0.000 0.000 0.211 449 M C 2.161 178.459 176.300 -0.003 0.000 1.811 449 M CA 1.596 56.894 55.300 -0.004 0.000 1.185 449 M CB -0.506 32.090 32.600 -0.007 0.000 1.320 449 M HN 0.090 nan 8.290 nan 0.000 0.583 450 N N 0.792 119.489 118.700 -0.004 0.000 2.513 450 N HA -0.034 4.706 4.740 -0.000 0.000 0.187 450 N C 1.439 176.948 175.510 -0.002 0.000 1.056 450 N CA 1.997 55.045 53.050 -0.003 0.000 0.907 450 N CB -1.172 37.313 38.487 -0.004 0.000 0.954 450 N HN 0.748 nan 8.380 nan 0.000 0.445 451 E N -0.631 119.569 120.200 -0.001 0.000 2.364 451 E HA 0.300 4.650 4.350 -0.000 0.000 0.196 451 E C 1.298 177.898 176.600 0.001 0.000 0.990 451 E CA 0.381 56.781 56.400 0.000 0.000 0.886 451 E CB -0.450 29.250 29.700 0.001 0.000 0.866 451 E HN 0.625 nan 8.360 nan 0.000 0.493 452 S N -0.732 114.969 115.700 0.001 0.000 2.584 452 S HA 0.319 4.789 4.470 -0.000 0.000 0.270 452 S C 0.874 175.475 174.600 0.002 0.000 1.346 452 S CA -0.302 57.899 58.200 0.003 0.000 1.018 452 S CB 0.456 63.658 63.200 0.003 0.000 0.899 452 S HN 0.408 nan 8.310 nan 0.000 0.542 453 L N 2.779 124.004 121.223 0.002 0.000 2.640 453 L HA 0.205 4.545 4.340 -0.000 0.000 0.230 453 L C 0.547 177.417 176.870 0.001 0.000 1.123 453 L CA -0.192 54.649 54.840 0.001 0.000 0.900 453 L CB -0.034 42.025 42.059 0.000 0.000 1.146 453 L HN 0.518 nan 8.230 nan 0.000 0.484 503 P HA -0.175 nan 4.420 nan 0.000 0.218 503 P C 1.881 179.179 177.300 -0.002 0.000 1.146 503 P CA 2.228 65.326 63.100 -0.002 0.000 0.813 503 P CB 0.246 31.944 31.700 -0.003 0.000 0.778 504 K N -0.165 120.234 120.400 -0.003 0.000 2.280 504 K HA -0.144 4.176 4.320 -0.000 0.000 0.202 504 K C 1.394 177.993 176.600 -0.002 0.000 1.047 504 K CA 1.742 58.027 56.287 -0.002 0.000 0.942 504 K CB -1.388 31.110 32.500 -0.003 0.000 0.739 504 K HN 0.185 nan 8.250 nan 0.000 0.457 505 D N -0.688 119.711 120.400 -0.001 0.000 2.342 505 D HA 0.209 4.848 4.640 -0.000 0.000 0.221 505 D C 0.513 176.813 176.300 -0.001 0.000 1.101 505 D CA 0.170 54.169 54.000 -0.001 0.000 0.837 505 D CB 0.467 41.266 40.800 -0.001 0.000 0.938 505 D HN 0.503 nan 8.370 nan 0.000 0.508 506 M N -0.098 119.502 119.600 -0.001 0.000 2.596 506 M HA 0.251 4.730 4.480 -0.000 0.000 0.364 506 M C 0.650 176.950 176.300 -0.000 0.000 1.158 506 M CA 0.094 55.394 55.300 -0.000 0.000 0.940 506 M CB 1.052 33.652 32.600 0.000 0.000 1.388 506 M HN -0.123 nan 8.290 nan 0.000 0.522 507 L N -0.309 120.914 121.223 -0.001 0.000 2.766 507 L HA 0.514 4.854 4.340 -0.000 0.000 0.242 507 L C 0.739 177.608 176.870 -0.002 0.000 1.136 507 L CA -0.384 54.455 54.840 -0.001 0.000 0.933 507 L CB 0.483 42.541 42.059 -0.001 0.000 1.241 507 L HN 0.319 nan 8.230 nan 0.000 0.522 508 G N -0.131 108.668 108.800 -0.001 0.000 2.645 508 G HA2 0.569 4.529 3.960 -0.000 0.000 0.292 508 G HA3 0.569 4.529 3.960 -0.000 0.000 0.292 508 G C -2.853 172.047 174.900 -0.000 0.000 1.415 508 G CA -0.541 44.558 45.100 -0.001 0.000 0.785 508 G HN -0.200 nan 8.290 nan 0.000 0.483 509 P HA 0.576 nan 4.420 nan 0.000 0.274 509 P C -0.004 177.296 177.300 0.001 0.000 1.231 509 P CA -0.235 62.866 63.100 0.001 0.000 0.790 509 P CB 0.938 32.639 31.700 0.001 0.000 0.951 510 K N 0.000 120.401 120.400 0.001 0.000 2.780 510 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 510 K CA 0.000 56.288 56.287 0.001 0.000 0.838 510 K CB 0.000 32.500 32.500 0.001 0.000 1.064 510 K HN 0.000 nan 8.250 nan 0.000 0.543