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 2dqw_1_A DATA FIRST_RESID 14 DATA SEQUENCE VRTLWLRDRA LDLDRVRLLG VLNLTPXXXX XXXXXXXXXR ALERAREMVA DATA SEQUENCE EGADILDLGA EXXXXXXXXX XXEEEKRRLL PVLEAVLSLG VPVSVDTRKP DATA SEQUENCE EVAEEALKLG AHLLNDVTGL RDERMVALAA RHGVAAVVMH MPVPDPATMM DATA SEQUENCE AHARYRDVVA EVKAFLEAQA RRALSAGVPQ VVLDPGFGFG KLLEHNLALL DATA SEQUENCE RRLDEIVALG HPVLVGLSRK RTIGELSGVE DPAQRVHGSV AAHLFAVMKG DATA SEQUENCE VRLLRVHDVR AHREALGVWE ALYG 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 14 V HA 0.000 nan 4.120 nan 0.000 0.244 14 V C 0.000 176.108 176.094 0.023 0.000 1.182 14 V CA 0.000 62.311 62.300 0.019 0.000 1.235 14 V CB 0.000 31.836 31.823 0.022 0.000 1.184 15 R N 1.662 122.175 120.500 0.022 0.000 2.389 15 R HA 0.665 5.004 4.340 -0.001 0.000 0.295 15 R C -0.039 176.283 176.300 0.037 0.000 1.075 15 R CA 0.051 56.167 56.100 0.027 0.000 1.005 15 R CB 1.253 31.566 30.300 0.022 0.000 0.987 15 R HN 0.960 nan 8.270 nan 0.000 0.452 16 T N -0.517 114.069 114.554 0.052 0.000 2.865 16 T HA 0.504 4.853 4.350 -0.001 0.000 0.294 16 T C -1.091 173.663 174.700 0.091 0.000 1.119 16 T CA -0.998 61.143 62.100 0.069 0.000 1.007 16 T CB 1.475 70.396 68.868 0.088 0.000 1.225 16 T HN 0.285 nan 8.240 nan 0.000 0.515 17 L N 1.883 123.162 121.223 0.093 0.000 2.325 17 L HA 0.538 4.877 4.340 -0.001 0.000 0.281 17 L C -0.644 176.321 176.870 0.159 0.000 1.004 17 L CA -0.881 54.024 54.840 0.109 0.000 0.823 17 L CB 1.377 43.465 42.059 0.050 0.000 1.236 17 L HN 0.877 nan 8.230 nan 0.000 0.415 18 W N 7.796 129.107 121.300 0.017 0.000 2.304 18 W HA 0.344 5.004 4.660 -0.001 0.000 0.313 18 W C -1.382 175.157 176.519 0.033 0.000 1.323 18 W CA -0.579 56.780 57.345 0.024 0.000 1.223 18 W CB 1.020 30.494 29.460 0.024 0.000 1.237 18 W HN 0.498 nan 8.180 nan 0.000 0.535 19 L N 8.770 129.558 121.223 -0.726 0.000 2.637 19 L HA 0.170 4.510 4.340 -0.001 0.000 0.241 19 L C 1.124 177.570 176.870 -0.708 0.000 1.398 19 L CA -0.344 54.167 54.840 -0.548 0.000 0.895 19 L CB 0.410 42.297 42.059 -0.287 0.000 1.183 19 L HN 0.775 nan 8.230 nan 0.000 0.497 20 R N 1.352 121.225 120.500 -1.045 0.000 1.706 20 R HA -0.285 4.054 4.340 -0.001 0.000 0.091 20 R C 0.308 176.290 176.300 -0.530 0.000 0.932 20 R CA 2.628 58.403 56.100 -0.541 0.000 1.944 20 R CB -0.868 29.285 30.300 -0.246 0.000 0.506 20 R HN 0.723 nan 8.270 nan 0.000 0.707 21 D N -0.269 119.800 120.400 -0.552 0.000 2.594 21 D HA 0.199 4.838 4.640 -0.001 0.000 0.256 21 D C -0.029 176.108 176.300 -0.271 0.000 1.393 21 D CA 0.038 53.877 54.000 -0.268 0.000 0.797 21 D CB 0.216 40.979 40.800 -0.061 0.000 1.110 21 D HN 0.646 nan 8.370 nan 0.000 0.495 22 R N -1.189 118.980 120.500 -0.551 0.000 2.728 22 R HA 0.784 5.123 4.340 -0.001 0.000 0.274 22 R C -1.932 174.212 176.300 -0.260 0.000 1.032 22 R CA -1.114 54.841 56.100 -0.242 0.000 0.866 22 R CB 0.649 30.858 30.300 -0.151 0.000 1.263 22 R HN -0.043 nan 8.270 nan 0.000 0.475 23 A N 1.461 124.280 122.820 -0.003 0.000 2.350 23 A HA 0.654 4.973 4.320 -0.001 0.000 0.324 23 A C -1.379 176.215 177.584 0.018 0.000 1.118 23 A CA -0.798 51.289 52.037 0.084 0.000 0.783 23 A CB 1.548 20.672 19.000 0.206 0.000 1.236 23 A HN 0.551 nan 8.150 nan 0.000 0.457 24 L N 1.653 122.882 121.223 0.010 0.000 2.287 24 L HA 0.516 4.855 4.340 -0.001 0.000 0.287 24 L C -0.504 176.376 176.870 0.017 0.000 1.022 24 L CA -0.274 54.561 54.840 -0.008 0.000 0.814 24 L CB 1.305 43.342 42.059 -0.036 0.000 1.217 24 L HN 0.709 nan 8.230 nan 0.000 0.420 25 D N 3.509 123.918 120.400 0.015 0.000 2.390 25 D HA 0.172 4.811 4.640 -0.001 0.000 0.249 25 D C 0.290 176.600 176.300 0.016 0.000 1.144 25 D CA 0.379 54.392 54.000 0.021 0.000 0.880 25 D CB 0.773 41.584 40.800 0.019 0.000 1.182 25 D HN 0.596 nan 8.370 nan 0.000 0.451 26 L N 3.492 124.728 121.223 0.021 0.000 2.912 26 L HA 0.165 4.504 4.340 -0.001 0.000 0.240 26 L C 1.173 178.054 176.870 0.019 0.000 1.262 26 L CA -0.266 54.584 54.840 0.017 0.000 1.058 26 L CB -0.026 42.046 42.059 0.020 0.000 1.383 26 L HN 0.484 nan 8.230 nan 0.000 0.512 27 D N 1.002 121.414 120.400 0.020 0.000 2.348 27 D HA -0.102 4.537 4.640 -0.001 0.000 0.216 27 D C 0.736 177.052 176.300 0.027 0.000 0.970 27 D CA 0.251 54.264 54.000 0.023 0.000 0.889 27 D CB 0.363 41.176 40.800 0.022 0.000 0.912 27 D HN 0.453 nan 8.370 nan 0.000 0.524 28 R N -1.053 119.462 120.500 0.024 0.000 2.734 28 R HA 0.483 4.822 4.340 -0.001 0.000 0.271 28 R C -1.205 175.108 176.300 0.021 0.000 1.021 28 R CA -0.958 55.161 56.100 0.031 0.000 0.893 28 R CB 1.041 31.360 30.300 0.033 0.000 1.244 28 R HN -0.202 nan 8.270 nan 0.000 0.464 29 V N 2.532 122.461 119.914 0.025 0.000 2.599 29 V HA 0.144 4.263 4.120 -0.001 0.000 0.300 29 V C 0.270 176.360 176.094 -0.007 0.000 1.034 29 V CA 0.131 62.434 62.300 0.005 0.000 1.115 29 V CB 0.268 32.096 31.823 0.009 0.000 0.934 29 V HN 0.543 nan 8.190 nan 0.000 0.485 30 R N 4.859 125.343 120.500 -0.027 0.000 2.589 30 R HA 0.657 4.996 4.340 -0.001 0.000 0.293 30 R C -0.917 175.342 176.300 -0.068 0.000 0.963 30 R CA -0.744 55.332 56.100 -0.039 0.000 0.905 30 R CB 1.694 31.972 30.300 -0.037 0.000 1.144 30 R HN 0.571 nan 8.270 nan 0.000 0.459 31 L N 3.220 124.399 121.223 -0.073 0.000 2.322 31 L HA 0.472 4.812 4.340 -0.001 0.000 0.281 31 L C -0.512 176.295 176.870 -0.106 0.000 1.014 31 L CA -1.123 53.652 54.840 -0.109 0.000 0.815 31 L CB 1.321 43.322 42.059 -0.096 0.000 1.247 31 L HN 0.196 nan 8.230 nan 0.000 0.421 32 L N 2.960 124.106 121.223 -0.129 0.000 2.264 32 L HA 0.454 4.793 4.340 -0.001 0.000 0.287 32 L C 0.688 177.480 176.870 -0.131 0.000 1.039 32 L CA 0.171 54.943 54.840 -0.113 0.000 0.829 32 L CB 1.282 43.278 42.059 -0.104 0.000 1.211 32 L HN 0.601 nan 8.230 nan 0.000 0.427 33 G N 3.307 112.043 108.800 -0.108 0.000 2.355 33 G HA2 0.440 4.399 3.960 -0.001 0.000 0.276 33 G HA3 0.440 4.399 3.960 -0.001 0.000 0.276 33 G C -0.280 174.549 174.900 -0.119 0.000 1.198 33 G CA -0.372 44.664 45.100 -0.107 0.000 0.876 33 G HN 0.306 nan 8.290 nan 0.000 0.478 34 V N 3.659 123.463 119.914 -0.184 0.000 2.508 34 V HA 0.234 4.353 4.120 -0.001 0.000 0.281 34 V C 0.456 176.494 176.094 -0.093 0.000 1.041 34 V CA -0.227 61.950 62.300 -0.205 0.000 1.016 34 V CB 1.280 32.802 31.823 -0.501 0.000 0.984 34 V HN 0.613 nan 8.190 nan 0.000 0.478 35 L N 5.917 127.111 121.223 -0.048 0.000 2.417 35 L HA 0.469 4.808 4.340 -0.001 0.000 0.259 35 L C -0.110 176.766 176.870 0.010 0.000 1.023 35 L CA -0.224 54.612 54.840 -0.006 0.000 0.901 35 L CB 0.724 42.777 42.059 -0.010 0.000 1.227 35 L HN 0.671 nan 8.230 nan 0.000 0.454 36 N N 4.761 123.485 118.700 0.039 0.000 2.444 36 N HA 0.243 4.982 4.740 -0.001 0.000 0.271 36 N C -0.291 175.242 175.510 0.037 0.000 1.069 36 N CA -0.196 52.883 53.050 0.049 0.000 0.965 36 N CB 1.444 39.983 38.487 0.087 0.000 1.092 36 N HN 0.684 nan 8.380 nan 0.000 0.476 37 L N 2.841 124.081 121.223 0.028 0.000 3.094 37 L HA 0.163 4.502 4.340 -0.001 0.000 0.254 37 L C 0.713 177.596 176.870 0.021 0.000 1.298 37 L CA -0.333 54.519 54.840 0.021 0.000 1.050 37 L CB 0.067 42.135 42.059 0.014 0.000 1.420 37 L HN 0.537 nan 8.230 nan 0.000 0.548 38 T N -3.986 110.584 114.554 0.026 0.000 2.936 38 T HA 0.658 5.008 4.350 -0.001 0.000 0.282 38 T C -1.803 172.908 174.700 0.020 0.000 1.003 38 T CA -1.454 60.660 62.100 0.023 0.000 1.005 38 T CB 1.195 70.081 68.868 0.029 0.000 1.097 38 T HN -0.109 nan 8.240 nan 0.000 0.532 54 A N 0.266 123.089 122.820 0.004 0.000 2.312 54 A HA 0.118 4.437 4.320 -0.001 0.000 0.215 54 A C 1.334 178.919 177.584 0.002 0.000 1.256 54 A CA 0.220 52.259 52.037 0.004 0.000 0.966 54 A CB 0.064 19.066 19.000 0.003 0.000 1.053 54 A HN 0.329 nan 8.150 nan 0.000 0.510 55 L N 0.664 121.888 121.223 0.001 0.000 2.093 55 L HA -0.060 4.279 4.340 -0.001 0.000 0.208 55 L C 2.103 178.972 176.870 -0.000 0.000 1.085 55 L CA 2.574 57.414 54.840 -0.001 0.000 0.755 55 L CB -0.332 41.727 42.059 -0.000 0.000 0.904 55 L HN 0.598 nan 8.230 nan 0.000 0.435 56 E N -0.538 119.663 120.200 0.001 0.000 2.017 56 E HA -0.328 4.022 4.350 -0.001 0.000 0.193 56 E C 2.346 178.948 176.600 0.003 0.000 0.997 56 E CA 1.181 57.582 56.400 0.002 0.000 0.804 56 E CB -0.191 29.511 29.700 0.003 0.000 0.757 56 E HN 0.291 nan 8.360 nan 0.000 0.448 57 R N 0.861 121.364 120.500 0.004 0.000 2.105 57 R HA -0.118 4.221 4.340 -0.001 0.000 0.239 57 R C 1.974 178.275 176.300 0.002 0.000 1.135 57 R CA 1.894 57.998 56.100 0.006 0.000 0.967 57 R CB -0.992 29.314 30.300 0.010 0.000 0.861 57 R HN 0.278 nan 8.270 nan 0.000 0.442 58 A N 0.534 123.353 122.820 -0.002 0.000 1.902 58 A HA -0.138 4.181 4.320 -0.001 0.000 0.217 58 A C 2.213 179.792 177.584 -0.009 0.000 1.181 58 A CA 1.617 53.650 52.037 -0.008 0.000 0.623 58 A CB -0.450 18.545 19.000 -0.009 0.000 0.818 58 A HN 0.419 nan 8.150 nan 0.000 0.443 59 R N -0.235 120.261 120.500 -0.006 0.000 2.081 59 R HA -0.140 4.199 4.340 -0.001 0.000 0.235 59 R C 2.143 178.441 176.300 -0.004 0.000 1.131 59 R CA 1.624 57.721 56.100 -0.006 0.000 0.960 59 R CB -0.354 29.945 30.300 -0.003 0.000 0.856 59 R HN 0.695 nan 8.270 nan 0.000 0.436 60 E N 0.455 120.654 120.200 -0.000 0.000 2.031 60 E HA -0.189 4.160 4.350 -0.001 0.000 0.193 60 E C 2.107 178.709 176.600 0.003 0.000 0.994 60 E CA 1.302 57.704 56.400 0.003 0.000 0.800 60 E CB -0.094 29.610 29.700 0.007 0.000 0.752 60 E HN 0.302 nan 8.360 nan 0.000 0.447 61 M N 0.544 120.144 119.600 -0.000 0.000 2.159 61 M HA -0.154 4.325 4.480 -0.001 0.000 0.263 61 M C 2.439 178.732 176.300 -0.010 0.000 1.063 61 M CA 1.058 56.356 55.300 -0.004 0.000 1.110 61 M CB -0.131 32.463 32.600 -0.011 0.000 1.374 61 M HN 0.031 nan 8.290 nan 0.000 0.411 62 V N 0.288 120.193 119.914 -0.015 0.000 2.343 62 V HA -0.235 3.884 4.120 -0.001 0.000 0.247 62 V C 2.587 178.674 176.094 -0.012 0.000 1.051 62 V CA 1.963 64.251 62.300 -0.020 0.000 1.036 62 V CB -1.129 30.680 31.823 -0.023 0.000 0.654 62 V HN 0.516 nan 8.190 nan 0.000 0.451 63 A N -0.603 122.213 122.820 -0.006 0.000 1.972 63 A HA -0.214 4.105 4.320 -0.001 0.000 0.219 63 A C 2.117 179.703 177.584 0.004 0.000 1.169 63 A CA 1.633 53.670 52.037 -0.001 0.000 0.635 63 A CB -0.412 18.589 19.000 0.001 0.000 0.810 63 A HN 0.627 nan 8.150 nan 0.000 0.446 64 E N -1.837 118.366 120.200 0.006 0.000 2.427 64 E HA 0.177 4.527 4.350 -0.001 0.000 0.196 64 E C 1.095 177.704 176.600 0.015 0.000 1.028 64 E CA 0.395 56.803 56.400 0.014 0.000 0.864 64 E CB -0.039 29.672 29.700 0.019 0.000 0.813 64 E HN 0.744 nan 8.360 nan 0.000 0.514 65 G N 0.560 109.362 108.800 0.005 0.000 2.164 65 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.154 65 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.154 65 G C 0.168 175.062 174.900 -0.011 0.000 1.014 65 G CA -0.215 44.886 45.100 0.003 0.000 0.683 65 G HN 0.368 nan 8.290 nan 0.000 0.500 66 A N 0.399 123.207 122.820 -0.021 0.000 2.450 66 A HA 0.562 4.881 4.320 -0.001 0.000 0.255 66 A C 1.063 178.617 177.584 -0.049 0.000 1.096 66 A CA 0.735 52.748 52.037 -0.039 0.000 0.778 66 A CB 0.305 19.279 19.000 -0.044 0.000 1.031 66 A HN 0.225 nan 8.150 nan 0.000 0.494 67 D N 1.347 121.712 120.400 -0.059 0.000 2.301 67 D HA 0.150 4.789 4.640 -0.001 0.000 0.206 67 D C 0.162 176.407 176.300 -0.091 0.000 0.979 67 D CA 1.241 55.200 54.000 -0.068 0.000 0.874 67 D CB 0.318 41.082 40.800 -0.060 0.000 0.968 67 D HN 0.566 nan 8.370 nan 0.000 0.510 68 I N 0.954 121.470 120.570 -0.090 0.000 2.686 68 I HA 0.240 4.409 4.170 -0.001 0.000 0.295 68 I C -0.913 175.154 176.117 -0.084 0.000 1.114 68 I CA -0.724 60.516 61.300 -0.101 0.000 1.038 68 I CB 2.995 40.938 38.000 -0.094 0.000 1.238 68 I HN -0.327 nan 8.210 nan 0.000 0.420 69 L N 3.907 125.084 121.223 -0.077 0.000 2.287 69 L HA 0.402 4.741 4.340 -0.001 0.000 0.287 69 L C -0.813 176.028 176.870 -0.050 0.000 1.022 69 L CA -0.401 54.404 54.840 -0.059 0.000 0.814 69 L CB 1.312 43.344 42.059 -0.046 0.000 1.217 69 L HN 0.506 nan 8.230 nan 0.000 0.420 70 D N 3.768 124.134 120.400 -0.056 0.000 2.359 70 D HA 0.469 5.109 4.640 -0.001 0.000 0.230 70 D C -1.071 175.206 176.300 -0.037 0.000 1.118 70 D CA -0.226 53.744 54.000 -0.049 0.000 0.844 70 D CB 0.982 41.742 40.800 -0.068 0.000 1.059 70 D HN 0.112 nan 8.370 nan 0.000 0.493 71 L N 3.513 124.723 121.223 -0.022 0.000 2.313 71 L HA 0.766 5.105 4.340 -0.001 0.000 0.283 71 L C 0.557 177.423 176.870 -0.006 0.000 1.013 71 L CA -0.419 54.413 54.840 -0.012 0.000 0.816 71 L CB 1.936 43.990 42.059 -0.008 0.000 1.236 71 L HN 0.506 nan 8.230 nan 0.000 0.419 72 G N 1.519 110.321 108.800 0.003 0.000 2.701 72 G HA2 0.616 4.575 3.960 -0.001 0.000 0.300 72 G HA3 0.616 4.575 3.960 -0.001 0.000 0.300 72 G C -0.613 174.299 174.900 0.020 0.000 1.410 72 G CA -0.051 45.056 45.100 0.013 0.000 1.014 72 G HN 0.676 nan 8.290 nan 0.000 0.509 73 A N 1.783 124.614 122.820 0.018 0.000 2.594 73 A HA 0.456 4.776 4.320 -0.001 0.000 0.287 73 A C 0.845 178.444 177.584 0.024 0.000 1.227 73 A CA -0.093 51.956 52.037 0.020 0.000 0.952 73 A CB -0.335 18.673 19.000 0.012 0.000 1.161 73 A HN 0.787 nan 8.150 nan 0.000 0.524 87 E N 0.513 120.715 120.200 0.005 0.000 2.400 87 E HA -0.042 4.307 4.350 -0.001 0.000 0.195 87 E C 1.348 177.951 176.600 0.005 0.000 1.012 87 E CA 0.336 56.739 56.400 0.004 0.000 0.875 87 E CB 0.367 30.070 29.700 0.005 0.000 0.859 87 E HN 0.577 nan 8.360 nan 0.000 0.498 88 E N 0.944 121.147 120.200 0.005 0.000 2.209 88 E HA -0.196 4.153 4.350 -0.001 0.000 0.196 88 E C 1.640 178.241 176.600 0.002 0.000 0.993 88 E CA 1.003 57.406 56.400 0.006 0.000 0.819 88 E CB 0.238 29.942 29.700 0.007 0.000 0.745 88 E HN 0.113 nan 8.360 nan 0.000 0.477 89 K N 0.162 120.562 120.400 0.001 0.000 2.007 89 K HA -0.133 4.186 4.320 -0.001 0.000 0.206 89 K C 2.419 179.018 176.600 -0.002 0.000 1.047 89 K CA 1.450 57.736 56.287 -0.002 0.000 0.937 89 K CB -0.222 32.277 32.500 -0.002 0.000 0.718 89 K HN 0.129 nan 8.250 nan 0.000 0.438 90 R N 1.341 121.841 120.500 0.000 0.000 2.152 90 R HA -0.106 4.233 4.340 -0.001 0.000 0.232 90 R C 1.875 178.175 176.300 0.001 0.000 1.117 90 R CA 1.395 57.495 56.100 0.000 0.000 0.981 90 R CB -0.183 30.118 30.300 0.001 0.000 0.870 90 R HN 0.082 nan 8.270 nan 0.000 0.451 91 R N -0.082 120.419 120.500 0.002 0.000 2.100 91 R HA 0.027 4.367 4.340 -0.001 0.000 0.220 91 R C 2.132 178.433 176.300 0.002 0.000 1.091 91 R CA 0.870 56.972 56.100 0.003 0.000 0.986 91 R CB -0.163 30.141 30.300 0.006 0.000 0.888 91 R HN 0.201 nan 8.270 nan 0.000 0.444 92 L N 0.593 121.816 121.223 0.000 0.000 2.121 92 L HA 0.045 4.385 4.340 -0.001 0.000 0.200 92 L C 1.880 178.746 176.870 -0.006 0.000 1.077 92 L CA 1.291 56.130 54.840 -0.002 0.000 0.766 92 L CB -0.454 41.602 42.059 -0.004 0.000 0.931 92 L HN 0.032 nan 8.230 nan 0.000 0.452 93 L N 0.160 121.378 121.223 -0.008 0.000 2.010 93 L HA -0.232 4.107 4.340 -0.001 0.000 0.219 93 L C -0.064 176.800 176.870 -0.009 0.000 1.077 93 L CA 1.927 56.760 54.840 -0.011 0.000 0.773 93 L CB -2.417 39.635 42.059 -0.011 0.000 0.892 93 L HN 0.254 nan 8.230 nan 0.000 0.436 94 P HA -0.139 nan 4.420 nan 0.000 0.216 94 P C 1.940 179.238 177.300 -0.003 0.000 1.150 94 P CA 1.203 64.301 63.100 -0.004 0.000 0.837 94 P CB 0.064 31.763 31.700 -0.002 0.000 0.786 95 V N -0.673 119.240 119.914 -0.003 0.000 2.323 95 V HA -0.173 3.946 4.120 -0.001 0.000 0.244 95 V C 2.359 178.451 176.094 -0.003 0.000 1.041 95 V CA 1.298 63.597 62.300 -0.002 0.000 1.025 95 V CB -1.257 30.566 31.823 0.000 0.000 0.656 95 V HN 0.044 nan 8.190 nan 0.000 0.451 96 L N 0.695 121.914 121.223 -0.005 0.000 2.043 96 L HA -0.222 4.118 4.340 -0.001 0.000 0.212 96 L C 2.390 179.257 176.870 -0.006 0.000 1.075 96 L CA 2.470 57.306 54.840 -0.007 0.000 0.752 96 L CB -0.720 41.330 42.059 -0.014 0.000 0.891 96 L HN 0.487 nan 8.230 nan 0.000 0.432 97 E N -0.772 119.423 120.200 -0.008 0.000 2.077 97 E HA -0.220 4.129 4.350 -0.001 0.000 0.193 97 E C 2.097 178.696 176.600 -0.003 0.000 0.989 97 E CA 1.182 57.577 56.400 -0.008 0.000 0.800 97 E CB -0.205 29.490 29.700 -0.009 0.000 0.746 97 E HN 0.628 nan 8.360 nan 0.000 0.452 98 A N 0.383 123.202 122.820 -0.002 0.000 1.877 98 A HA -0.134 4.185 4.320 -0.001 0.000 0.216 98 A C 2.413 179.997 177.584 0.000 0.000 1.186 98 A CA 1.490 53.527 52.037 -0.001 0.000 0.620 98 A CB -0.713 18.287 19.000 -0.001 0.000 0.822 98 A HN 0.228 nan 8.150 nan 0.000 0.443 99 V N 0.222 120.137 119.914 0.001 0.000 2.407 99 V HA -0.245 3.874 4.120 -0.001 0.000 0.248 99 V C 2.500 178.597 176.094 0.006 0.000 1.055 99 V CA 1.808 64.109 62.300 0.000 0.000 1.049 99 V CB -0.785 31.037 31.823 -0.001 0.000 0.662 99 V HN 0.560 nan 8.190 nan 0.000 0.455 100 L N 1.002 122.234 121.223 0.015 0.000 2.187 100 L HA -0.158 4.182 4.340 -0.001 0.000 0.213 100 L C 2.576 179.462 176.870 0.027 0.000 1.100 100 L CA 1.669 56.531 54.840 0.036 0.000 0.765 100 L CB -0.649 41.428 42.059 0.032 0.000 0.904 100 L HN 0.579 nan 8.230 nan 0.000 0.437 101 S N -0.461 115.246 115.700 0.012 0.000 2.507 101 S HA -0.075 4.394 4.470 -0.001 0.000 0.235 101 S C 1.738 176.339 174.600 0.002 0.000 0.988 101 S CA 0.525 58.729 58.200 0.007 0.000 0.944 101 S CB -0.431 62.771 63.200 0.003 0.000 0.762 101 S HN 0.441 nan 8.310 nan 0.000 0.526 102 L N 0.667 121.889 121.223 -0.002 0.000 2.376 102 L HA 0.196 4.535 4.340 -0.001 0.000 0.219 102 L C 2.219 179.078 176.870 -0.019 0.000 1.133 102 L CA 0.639 55.472 54.840 -0.011 0.000 0.816 102 L CB -1.032 41.017 42.059 -0.018 0.000 0.933 102 L HN 0.618 nan 8.230 nan 0.000 0.449 103 G N -0.160 108.632 108.800 -0.014 0.000 2.176 103 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.253 103 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.253 103 G C 0.263 175.115 174.900 -0.079 0.000 0.979 103 G CA 0.114 45.198 45.100 -0.025 0.000 0.641 103 G HN 0.123 nan 8.290 nan 0.000 0.530 104 V N 1.864 121.720 119.914 -0.096 0.000 2.567 104 V HA 0.478 4.597 4.120 -0.001 0.000 0.289 104 V C -1.498 174.421 176.094 -0.292 0.000 1.049 104 V CA -1.520 60.684 62.300 -0.159 0.000 0.969 104 V CB 1.514 33.274 31.823 -0.106 0.000 0.995 104 V HN 0.093 nan 8.190 nan 0.000 0.471 105 P HA 0.144 nan 4.420 nan 0.000 0.265 105 P C -0.936 176.187 177.300 -0.296 0.000 1.193 105 P CA 0.158 62.801 63.100 -0.761 0.000 0.765 105 P CB 0.469 31.852 31.700 -0.528 0.000 0.823 106 V N 2.664 122.553 119.914 -0.042 0.000 2.540 106 V HA 0.419 4.538 4.120 -0.001 0.000 0.302 106 V C 0.153 176.286 176.094 0.065 0.000 1.035 106 V CA -0.419 61.913 62.300 0.052 0.000 0.873 106 V CB 1.829 33.708 31.823 0.094 0.000 0.992 106 V HN 0.501 nan 8.190 nan 0.000 0.428 107 S N 3.462 119.165 115.700 0.005 0.000 2.489 107 S HA 0.710 5.179 4.470 -0.001 0.000 0.291 107 S C -0.884 173.710 174.600 -0.010 0.000 1.151 107 S CA -0.467 57.730 58.200 -0.004 0.000 1.082 107 S CB 1.635 64.821 63.200 -0.024 0.000 1.019 107 S HN 0.740 nan 8.310 nan 0.000 0.492 108 V N 4.450 124.357 119.914 -0.013 0.000 2.495 108 V HA 0.555 4.674 4.120 -0.001 0.000 0.298 108 V C -1.404 174.681 176.094 -0.015 0.000 1.031 108 V CA -0.660 61.630 62.300 -0.016 0.000 0.871 108 V CB 1.783 33.591 31.823 -0.025 0.000 0.988 108 V HN 0.973 nan 8.190 nan 0.000 0.432 109 D N 4.606 125.001 120.400 -0.009 0.000 2.303 109 D HA 0.523 5.162 4.640 -0.001 0.000 0.236 109 D C -0.439 175.863 176.300 0.003 0.000 1.068 109 D CA 0.086 54.084 54.000 -0.003 0.000 0.830 109 D CB 1.960 42.764 40.800 0.006 0.000 1.109 109 D HN 0.643 nan 8.370 nan 0.000 0.496 110 T N 0.750 115.305 114.554 0.001 0.000 2.977 110 T HA 0.203 4.552 4.350 -0.001 0.000 0.345 110 T C 0.132 174.835 174.700 0.005 0.000 1.562 110 T CA -0.540 61.563 62.100 0.005 0.000 1.090 110 T CB 1.432 70.300 68.868 -0.001 0.000 1.383 110 T HN 0.288 nan 8.240 nan 0.000 0.484 111 R N 1.001 121.508 120.500 0.011 0.000 2.237 111 R HA 0.230 4.569 4.340 -0.001 0.000 0.195 111 R C 0.130 176.435 176.300 0.008 0.000 0.956 111 R CA 0.252 56.359 56.100 0.011 0.000 1.029 111 R CB 0.298 30.609 30.300 0.018 0.000 0.972 111 R HN 0.351 nan 8.270 nan 0.000 0.493 112 K N 1.314 121.718 120.400 0.007 0.000 2.262 112 K HA 0.163 4.482 4.320 -0.001 0.000 0.282 112 K C -2.116 174.486 176.600 0.003 0.000 1.066 112 K CA -1.762 54.528 56.287 0.006 0.000 0.901 112 K CB 1.472 33.976 32.500 0.006 0.000 1.089 112 K HN -0.230 nan 8.250 nan 0.000 0.476 113 P HA -0.183 nan 4.420 nan 0.000 0.218 113 P C 0.312 177.617 177.300 0.007 0.000 1.148 113 P CA 1.155 64.260 63.100 0.008 0.000 0.822 113 P CB 0.344 32.050 31.700 0.011 0.000 0.784 114 E N -0.771 119.433 120.200 0.006 0.000 2.085 114 E HA -0.124 4.225 4.350 -0.001 0.000 0.194 114 E C 1.968 178.567 176.600 -0.002 0.000 0.994 114 E CA 1.022 57.425 56.400 0.005 0.000 0.801 114 E CB -1.335 28.368 29.700 0.005 0.000 0.743 114 E HN 0.083 nan 8.360 nan 0.000 0.453 115 V N 0.727 120.638 119.914 -0.005 0.000 2.488 115 V HA -0.150 3.969 4.120 -0.001 0.000 0.246 115 V C 2.172 178.252 176.094 -0.024 0.000 1.046 115 V CA 1.523 63.816 62.300 -0.012 0.000 1.053 115 V CB -0.770 31.048 31.823 -0.007 0.000 0.679 115 V HN 0.336 nan 8.190 nan 0.000 0.458 116 A N 0.011 122.818 122.820 -0.022 0.000 1.902 116 A HA -0.285 4.034 4.320 -0.001 0.000 0.217 116 A C 2.272 179.815 177.584 -0.067 0.000 1.181 116 A CA 2.103 54.117 52.037 -0.038 0.000 0.623 116 A CB -0.508 18.480 19.000 -0.020 0.000 0.818 116 A HN 0.627 nan 8.150 nan 0.000 0.443 117 E N -0.478 119.701 120.200 -0.035 0.000 2.077 117 E HA -0.215 4.135 4.350 -0.001 0.000 0.193 117 E C 1.793 178.348 176.600 -0.075 0.000 0.989 117 E CA 1.293 57.675 56.400 -0.030 0.000 0.800 117 E CB -0.073 29.653 29.700 0.043 0.000 0.746 117 E HN 0.523 nan 8.360 nan 0.000 0.452 118 E N 0.154 120.325 120.200 -0.047 0.000 2.150 118 E HA -0.137 4.212 4.350 -0.001 0.000 0.193 118 E C 1.891 178.444 176.600 -0.078 0.000 0.985 118 E CA 0.973 57.344 56.400 -0.047 0.000 0.814 118 E CB -0.205 29.480 29.700 -0.026 0.000 0.752 118 E HN 0.389 nan 8.360 nan 0.000 0.466 119 A N 0.990 123.756 122.820 -0.090 0.000 1.897 119 A HA -0.074 4.245 4.320 -0.001 0.000 0.215 119 A C 2.348 179.834 177.584 -0.163 0.000 1.181 119 A CA 0.811 52.789 52.037 -0.098 0.000 0.620 119 A CB -0.560 18.394 19.000 -0.076 0.000 0.821 119 A HN 0.165 nan 8.150 nan 0.000 0.443 120 L N -0.866 120.201 121.223 -0.259 0.000 2.109 120 L HA -0.139 4.200 4.340 -0.001 0.000 0.207 120 L C 2.447 179.058 176.870 -0.433 0.000 1.086 120 L CA 1.407 55.980 54.840 -0.446 0.000 0.760 120 L CB -0.374 41.196 42.059 -0.815 0.000 0.910 120 L HN 0.328 nan 8.230 nan 0.000 0.437 121 K N 0.105 120.318 120.400 -0.312 0.000 2.211 121 K HA -0.098 4.222 4.320 -0.001 0.000 0.203 121 K C 1.981 178.534 176.600 -0.077 0.000 1.050 121 K CA 0.945 57.171 56.287 -0.102 0.000 0.945 121 K CB -0.026 32.467 32.500 -0.012 0.000 0.732 121 K HN 0.273 nan 8.250 nan 0.000 0.451 122 L N -0.915 120.249 121.223 -0.099 0.000 2.313 122 L HA 0.008 4.347 4.340 -0.001 0.000 0.214 122 L C 1.262 178.074 176.870 -0.096 0.000 1.119 122 L CA 0.829 55.625 54.840 -0.074 0.000 0.809 122 L CB 0.145 42.168 42.059 -0.061 0.000 0.933 122 L HN 0.500 nan 8.230 nan 0.000 0.449 123 G N -0.971 107.737 108.800 -0.153 0.000 2.198 123 G HA2 -0.122 3.837 3.960 -0.001 0.000 0.156 123 G HA3 -0.122 3.837 3.960 -0.001 0.000 0.156 123 G C 0.348 175.019 174.900 -0.383 0.000 1.012 123 G CA -0.262 44.700 45.100 -0.230 0.000 0.692 123 G HN 0.373 nan 8.290 nan 0.000 0.492 124 A N -0.076 122.593 122.820 -0.252 0.000 2.561 124 A HA 0.484 4.804 4.320 -0.001 0.000 0.234 124 A C 0.959 178.368 177.584 -0.292 0.000 1.055 124 A CA 1.395 53.321 52.037 -0.185 0.000 0.756 124 A CB 0.066 19.005 19.000 -0.102 0.000 0.986 124 A HN 0.622 nan 8.150 nan 0.000 0.505 125 H N 0.297 119.310 119.070 -0.095 0.000 2.595 125 H HA 0.407 4.963 4.556 -0.001 0.000 0.265 125 H C -0.222 175.044 175.328 -0.104 0.000 0.953 125 H CA 0.492 56.466 56.048 -0.122 0.000 1.197 125 H CB 0.301 29.969 29.762 -0.156 0.000 1.438 125 H HN 0.411 nan 8.280 nan 0.000 0.531 126 L N 0.593 121.840 121.223 0.040 0.000 2.455 126 L HA 0.385 4.724 4.340 -0.001 0.000 0.264 126 L C -1.877 174.994 176.870 0.001 0.000 0.968 126 L CA -1.185 53.665 54.840 0.017 0.000 0.827 126 L CB 1.965 44.029 42.059 0.008 0.000 1.317 126 L HN 0.005 nan 8.230 nan 0.000 0.407 127 L N 4.562 125.787 121.223 0.004 0.000 2.264 127 L HA 0.521 4.860 4.340 -0.001 0.000 0.287 127 L C -0.498 176.367 176.870 -0.010 0.000 1.039 127 L CA 0.266 55.102 54.840 -0.006 0.000 0.829 127 L CB 0.637 42.696 42.059 -0.000 0.000 1.211 127 L HN 0.789 nan 8.230 nan 0.000 0.427 128 N N 2.606 121.296 118.700 -0.016 0.000 2.479 128 N HA 0.266 5.005 4.740 -0.001 0.000 0.285 128 N C -1.024 174.469 175.510 -0.028 0.000 1.075 128 N CA -0.462 52.574 53.050 -0.024 0.000 0.967 128 N CB 1.006 39.478 38.487 -0.026 0.000 1.137 128 N HN 0.690 nan 8.380 nan 0.000 0.472 129 D N 0.846 121.221 120.400 -0.042 0.000 2.332 129 D HA 0.417 5.056 4.640 -0.001 0.000 0.252 129 D C -0.151 176.106 176.300 -0.073 0.000 1.050 129 D CA -0.486 53.487 54.000 -0.045 0.000 0.970 129 D CB 1.359 42.134 40.800 -0.041 0.000 1.141 129 D HN 0.169 nan 8.370 nan 0.000 0.485 130 V N 0.559 120.439 119.914 -0.057 0.000 3.329 130 V HA 0.137 4.256 4.120 -0.001 0.000 0.317 130 V C 0.770 176.839 176.094 -0.042 0.000 1.495 130 V CA 0.420 62.683 62.300 -0.061 0.000 1.105 130 V CB 0.488 32.321 31.823 0.016 0.000 0.985 130 V HN 0.821 nan 8.190 nan 0.000 0.475 131 T N -4.082 110.446 114.554 -0.044 0.000 3.130 131 T HA 0.407 4.757 4.350 -0.001 0.000 0.288 131 T C 1.341 176.040 174.700 -0.002 0.000 0.936 131 T CA 0.877 62.965 62.100 -0.021 0.000 0.897 131 T CB 0.996 69.865 68.868 0.001 0.000 1.178 131 T HN 1.124 nan 8.240 nan 0.000 0.543 132 G N 1.562 110.365 108.800 0.006 0.000 2.131 132 G HA2 -0.084 3.875 3.960 -0.001 0.000 0.223 132 G HA3 -0.084 3.875 3.960 -0.001 0.000 0.223 132 G C 0.340 175.299 174.900 0.099 0.000 0.990 132 G CA -0.139 45.043 45.100 0.138 0.000 0.671 132 G HN 1.409 nan 8.290 nan 0.000 0.521 133 L N -1.820 119.416 121.223 0.022 0.000 3.717 133 L HA -0.215 4.125 4.340 -0.001 0.000 0.414 133 L C 1.734 178.596 176.870 -0.013 0.000 1.228 133 L CA 2.174 57.007 54.840 -0.013 0.000 0.918 133 L CB -1.312 40.718 42.059 -0.049 0.000 1.865 133 L HN 0.626 nan 8.230 nan 0.000 0.922 134 R N -0.653 119.860 120.500 0.022 0.000 2.153 134 R HA 0.040 4.379 4.340 -0.001 0.000 0.218 134 R C 0.558 176.860 176.300 0.003 0.000 1.072 134 R CA 0.687 56.801 56.100 0.023 0.000 0.990 134 R CB 0.008 30.340 30.300 0.052 0.000 0.889 134 R HN 0.513 nan 8.270 nan 0.000 0.452 135 D N 1.095 121.496 120.400 0.002 0.000 2.339 135 D HA -0.050 4.589 4.640 -0.001 0.000 0.256 135 D C 0.659 176.956 176.300 -0.006 0.000 1.214 135 D CA 0.205 54.204 54.000 -0.001 0.000 0.877 135 D CB 1.409 42.211 40.800 0.002 0.000 1.111 135 D HN -0.074 nan 8.370 nan 0.000 0.478 136 E N 3.720 123.916 120.200 -0.007 0.000 2.265 136 E HA -0.143 4.206 4.350 -0.001 0.000 0.196 136 E C 1.680 178.277 176.600 -0.004 0.000 0.996 136 E CA 1.077 57.471 56.400 -0.010 0.000 0.832 136 E CB 0.177 29.871 29.700 -0.011 0.000 0.756 136 E HN 0.440 nan 8.360 nan 0.000 0.491 137 R N -0.716 119.785 120.500 0.000 0.000 2.096 137 R HA -0.079 4.260 4.340 -0.001 0.000 0.235 137 R C 2.102 178.409 176.300 0.013 0.000 1.127 137 R CA 1.498 57.602 56.100 0.007 0.000 0.968 137 R CB -0.176 30.128 30.300 0.008 0.000 0.861 137 R HN 0.292 nan 8.270 nan 0.000 0.440 138 M N 0.051 119.656 119.600 0.008 0.000 2.175 138 M HA -0.100 4.379 4.480 -0.001 0.000 0.264 138 M C 2.348 178.656 176.300 0.013 0.000 1.063 138 M CA 1.247 56.554 55.300 0.011 0.000 1.119 138 M CB -0.559 32.042 32.600 0.002 0.000 1.377 138 M HN -0.024 nan 8.290 nan 0.000 0.415 139 V N 0.673 120.587 119.914 0.001 0.000 2.332 139 V HA -0.248 3.871 4.120 -0.001 0.000 0.248 139 V C 2.715 178.813 176.094 0.006 0.000 1.055 139 V CA 1.907 64.204 62.300 -0.005 0.000 1.038 139 V CB -1.407 30.404 31.823 -0.019 0.000 0.651 139 V HN 0.482 nan 8.190 nan 0.000 0.450 140 A N -0.462 122.362 122.820 0.007 0.000 1.930 140 A HA -0.117 4.202 4.320 -0.001 0.000 0.217 140 A C 2.228 179.827 177.584 0.025 0.000 1.175 140 A CA 1.615 53.656 52.037 0.007 0.000 0.627 140 A CB -0.474 18.527 19.000 0.001 0.000 0.815 140 A HN 0.495 nan 8.150 nan 0.000 0.443 141 L N -0.824 120.434 121.223 0.058 0.000 2.017 141 L HA -0.193 4.146 4.340 -0.001 0.000 0.208 141 L C 3.140 180.119 176.870 0.182 0.000 1.073 141 L CA 1.074 55.999 54.840 0.142 0.000 0.745 141 L CB -0.568 41.575 42.059 0.140 0.000 0.894 141 L HN 0.442 nan 8.230 nan 0.000 0.432 142 A N 0.022 122.905 122.820 0.106 0.000 1.883 142 A HA -0.218 4.101 4.320 -0.001 0.000 0.217 142 A C 2.494 180.136 177.584 0.097 0.000 1.186 142 A CA 1.945 54.043 52.037 0.101 0.000 0.624 142 A CB -0.760 18.275 19.000 0.059 0.000 0.822 142 A HN 0.424 nan 8.150 nan 0.000 0.444 143 A N -0.650 122.200 122.820 0.051 0.000 1.930 143 A HA -0.122 4.197 4.320 -0.001 0.000 0.217 143 A C 2.260 179.848 177.584 0.006 0.000 1.175 143 A CA 1.608 53.659 52.037 0.024 0.000 0.627 143 A CB -0.465 18.534 19.000 -0.002 0.000 0.815 143 A HN 0.551 nan 8.150 nan 0.000 0.443 144 R N -1.259 119.226 120.500 -0.025 0.000 2.092 144 R HA -0.130 4.209 4.340 -0.001 0.000 0.231 144 R C 1.474 177.658 176.300 -0.193 0.000 1.119 144 R CA 1.472 57.494 56.100 -0.130 0.000 0.970 144 R CB -0.293 29.881 30.300 -0.208 0.000 0.864 144 R HN 0.649 nan 8.270 nan 0.000 0.440 145 H N -1.103 117.981 119.070 0.023 0.000 2.539 145 H HA 0.130 4.686 4.556 -0.001 0.000 0.269 145 H C 0.711 176.081 175.328 0.069 0.000 0.980 145 H CA 0.821 56.886 56.048 0.029 0.000 1.152 145 H CB 0.759 30.527 29.762 0.010 0.000 1.407 145 H HN 0.536 nan 8.280 nan 0.000 0.564 146 G N 1.739 110.640 108.800 0.167 0.000 2.246 146 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.273 146 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.273 146 G C 0.392 175.512 174.900 0.367 0.000 1.055 146 G CA 0.570 45.800 45.100 0.217 0.000 0.851 146 G HN 0.421 nan 8.290 nan 0.000 0.500 147 V N -3.086 116.988 119.914 0.267 0.000 2.715 147 V HA 0.972 5.092 4.120 -0.001 0.000 0.310 147 V C 0.617 176.850 176.094 0.232 0.000 1.054 147 V CA -0.644 61.808 62.300 0.253 0.000 0.928 147 V CB 1.687 33.577 31.823 0.111 0.000 1.007 147 V HN 1.720 nan 8.190 nan 0.000 0.437 148 A N 2.729 125.708 122.820 0.265 0.000 2.366 148 A HA 0.858 5.177 4.320 -0.001 0.000 0.249 148 A C 0.428 178.066 177.584 0.090 0.000 1.084 148 A CA 0.151 52.301 52.037 0.189 0.000 0.794 148 A CB 0.424 19.549 19.000 0.209 0.000 1.034 148 A HN 2.350 nan 8.150 nan 0.000 0.491 149 A N 0.816 123.665 122.820 0.049 0.000 2.414 149 A HA 0.630 4.949 4.320 -0.001 0.000 0.306 149 A C -0.675 176.903 177.584 -0.009 0.000 1.054 149 A CA -0.482 51.564 52.037 0.014 0.000 0.724 149 A CB 1.257 20.258 19.000 0.002 0.000 1.267 149 A HN 1.039 nan 8.150 nan 0.000 0.418 150 V N 1.737 121.641 119.914 -0.017 0.000 2.509 150 V HA 0.389 4.509 4.120 -0.001 0.000 0.284 150 V C -0.216 175.853 176.094 -0.041 0.000 1.047 150 V CA -0.327 61.956 62.300 -0.028 0.000 0.952 150 V CB 1.464 33.270 31.823 -0.029 0.000 0.988 150 V HN 0.597 nan 8.190 nan 0.000 0.469 151 V N 6.388 126.274 119.914 -0.047 0.000 2.313 151 V HA 0.417 4.536 4.120 -0.001 0.000 0.278 151 V C -0.068 176.026 176.094 0.001 0.000 1.017 151 V CA -0.260 62.017 62.300 -0.038 0.000 0.823 151 V CB 1.301 33.072 31.823 -0.088 0.000 1.010 151 V HN 0.885 nan 8.190 nan 0.000 0.443 152 M N 5.106 124.703 119.600 -0.006 0.000 2.268 152 M HA 0.473 4.952 4.480 -0.001 0.000 0.344 152 M C -0.345 175.963 176.300 0.013 0.000 1.106 152 M CA -0.573 54.697 55.300 -0.051 0.000 1.010 152 M CB 1.063 33.535 32.600 -0.213 0.000 1.649 152 M HN 0.814 nan 8.290 nan 0.000 0.443 153 H N 7.412 126.455 119.070 -0.045 0.000 2.683 153 H HA 0.482 5.037 4.556 -0.002 0.000 0.339 153 H C -1.466 173.739 175.328 -0.206 0.000 1.081 153 H CA 0.312 56.297 56.048 -0.105 0.000 1.432 153 H CB 0.699 30.397 29.762 -0.107 0.000 1.462 153 H HN 0.854 nan 8.280 nan 0.000 0.557 154 M N 4.469 123.420 119.600 -1.082 0.000 2.365 154 M HA 0.262 4.741 4.480 -0.001 0.000 0.288 154 M C -2.742 173.039 176.300 -0.865 0.000 1.152 154 M CA -1.939 52.992 55.300 -0.616 0.000 0.948 154 M CB 2.781 35.265 32.600 -0.194 0.000 1.729 154 M HN 0.159 nan 8.290 nan 0.000 0.487 155 P HA -0.088 nan 4.420 nan 0.000 0.216 155 P C 0.246 177.346 177.300 -0.333 0.000 1.150 155 P CA 1.426 64.355 63.100 -0.286 0.000 0.837 155 P CB 0.009 31.679 31.700 -0.050 0.000 0.786 156 V N -6.315 113.438 119.914 -0.269 0.000 3.087 156 V HA 0.417 4.536 4.120 -0.001 0.000 0.306 156 V C -2.120 173.896 176.094 -0.130 0.000 1.187 156 V CA -2.088 60.066 62.300 -0.242 0.000 0.999 156 V CB 1.631 33.247 31.823 -0.346 0.000 1.049 156 V HN -0.283 nan 8.190 nan 0.000 0.431 157 P HA -0.060 nan 4.420 nan 0.000 0.219 157 P C 0.247 177.552 177.300 0.009 0.000 1.150 157 P CA 0.972 64.053 63.100 -0.030 0.000 0.814 157 P CB 0.175 31.863 31.700 -0.021 0.000 0.787 158 D N 1.520 121.920 120.400 0.001 0.000 2.346 158 D HA 0.042 4.681 4.640 -0.001 0.000 0.260 158 D C -1.280 175.048 176.300 0.047 0.000 1.252 158 D CA -2.325 51.690 54.000 0.025 0.000 0.895 158 D CB 0.710 41.521 40.800 0.019 0.000 1.097 158 D HN 0.065 nan 8.370 nan 0.000 0.489 159 P HA -0.076 nan 4.420 nan 0.000 0.225 159 P C 0.627 177.945 177.300 0.032 0.000 1.148 159 P CA 0.601 63.736 63.100 0.058 0.000 0.779 159 P CB 0.221 31.956 31.700 0.059 0.000 0.780 160 A N -0.329 122.511 122.820 0.033 0.000 2.238 160 A HA 0.076 4.395 4.320 -0.001 0.000 0.210 160 A C 1.863 179.467 177.584 0.035 0.000 1.179 160 A CA 1.468 53.520 52.037 0.024 0.000 0.827 160 A CB -0.926 18.087 19.000 0.020 0.000 0.856 160 A HN 0.345 nan 8.150 nan 0.000 0.488 161 T N -3.718 110.874 114.554 0.063 0.000 3.004 161 T HA 0.112 4.461 4.350 -0.001 0.000 0.266 161 T C 1.701 176.514 174.700 0.188 0.000 0.986 161 T CA 0.568 62.731 62.100 0.105 0.000 0.902 161 T CB -0.588 68.365 68.868 0.141 0.000 1.118 161 T HN 0.414 nan 8.240 nan 0.000 0.522 162 M N -0.046 119.639 119.600 0.142 0.000 2.296 162 M HA 0.221 4.700 4.480 -0.001 0.000 0.265 162 M C 1.861 178.240 176.300 0.130 0.000 1.064 162 M CA 1.207 56.606 55.300 0.165 0.000 1.109 162 M CB -0.831 31.832 32.600 0.104 0.000 1.396 162 M HN 0.012 nan 8.290 nan 0.000 0.430 163 M N 1.272 120.913 119.600 0.068 0.000 2.549 163 M HA 0.093 4.572 4.480 -0.001 0.000 0.260 163 M C 2.031 178.325 176.300 -0.010 0.000 1.076 163 M CA 0.978 56.302 55.300 0.041 0.000 1.090 163 M CB -1.227 31.384 32.600 0.018 0.000 1.418 163 M HN 0.548 nan 8.290 nan 0.000 0.486 164 A N -1.668 121.112 122.820 -0.067 0.000 2.251 164 A HA -0.010 4.309 4.320 -0.001 0.000 0.209 164 A C 1.004 178.321 177.584 -0.445 0.000 1.187 164 A CA 0.457 52.352 52.037 -0.235 0.000 0.823 164 A CB -0.503 18.323 19.000 -0.290 0.000 0.846 164 A HN 0.493 nan 8.150 nan 0.000 0.486 165 H N -0.715 118.312 119.070 -0.072 0.000 2.492 165 H HA 0.422 4.977 4.556 -0.001 0.000 0.264 165 H C 0.185 175.350 175.328 -0.271 0.000 1.150 165 H CA 0.409 56.368 56.048 -0.149 0.000 0.962 165 H CB 0.303 29.986 29.762 -0.131 0.000 1.766 165 H HN 0.376 nan 8.280 nan 0.000 0.589 166 A N 1.583 124.334 122.820 -0.116 0.000 3.249 166 A HA 0.313 4.632 4.320 -0.001 0.000 0.297 166 A C 0.705 178.244 177.584 -0.076 0.000 1.302 166 A CA -0.537 51.437 52.037 -0.105 0.000 1.074 166 A CB -0.258 18.875 19.000 0.222 0.000 1.132 166 A HN 0.301 nan 8.150 nan 0.000 0.575 167 R N 0.464 120.735 120.500 -0.382 0.000 2.734 167 R HA 0.194 4.533 4.340 -0.001 0.000 0.395 167 R C -1.253 174.948 176.300 -0.166 0.000 1.096 167 R CA -0.372 55.643 56.100 -0.142 0.000 1.071 167 R CB 0.102 30.341 30.300 -0.102 0.000 1.348 167 R HN 0.592 nan 8.270 nan 0.000 0.600 168 Y N 0.789 121.051 120.300 -0.063 0.000 2.712 168 Y HA -0.004 4.545 4.550 -0.002 0.000 0.333 168 Y C 1.788 177.690 175.900 0.003 0.000 1.225 168 Y CA -0.059 57.994 58.100 -0.077 0.000 1.499 168 Y CB 0.481 38.810 38.460 -0.219 0.000 1.288 168 Y HN -0.036 nan 8.280 nan 0.000 0.575 169 R N 0.655 121.244 120.500 0.148 0.000 2.090 169 R HA -0.075 4.265 4.340 -0.001 0.000 0.228 169 R C -0.233 176.133 176.300 0.109 0.000 1.110 169 R CA 1.416 57.580 56.100 0.107 0.000 0.973 169 R CB 0.190 30.534 30.300 0.073 0.000 0.869 169 R HN 0.624 nan 8.270 nan 0.000 0.440 170 D N -0.100 120.363 120.400 0.106 0.000 2.381 170 D HA 0.005 4.645 4.640 -0.001 0.000 0.245 170 D C 0.456 176.755 176.300 -0.000 0.000 1.297 170 D CA -0.154 53.881 54.000 0.059 0.000 0.931 170 D CB 1.312 42.136 40.800 0.041 0.000 1.334 170 D HN -0.193 nan 8.370 nan 0.000 0.535 171 V N 3.457 123.330 119.914 -0.068 0.000 2.332 171 V HA -0.219 3.900 4.120 -0.001 0.000 0.248 171 V C 1.907 177.804 176.094 -0.329 0.000 1.055 171 V CA 2.139 64.204 62.300 -0.393 0.000 1.038 171 V CB -0.009 31.459 31.823 -0.593 0.000 0.651 171 V HN 0.486 nan 8.190 nan 0.000 0.450 172 V N 0.424 120.239 119.914 -0.164 0.000 2.295 172 V HA -0.210 3.910 4.120 -0.001 0.000 0.246 172 V C 2.807 178.840 176.094 -0.102 0.000 1.049 172 V CA 2.167 64.391 62.300 -0.126 0.000 1.024 172 V CB -1.347 30.449 31.823 -0.045 0.000 0.648 172 V HN 0.650 nan 8.190 nan 0.000 0.447 173 A N -0.219 122.567 122.820 -0.057 0.000 1.902 173 A HA -0.250 4.069 4.320 -0.001 0.000 0.217 173 A C 2.167 179.736 177.584 -0.025 0.000 1.181 173 A CA 1.972 53.995 52.037 -0.024 0.000 0.623 173 A CB -0.487 18.515 19.000 0.003 0.000 0.818 173 A HN 0.650 nan 8.150 nan 0.000 0.443 174 E N -0.480 119.695 120.200 -0.041 0.000 2.106 174 E HA -0.090 4.259 4.350 -0.001 0.000 0.192 174 E C 1.946 178.515 176.600 -0.051 0.000 0.984 174 E CA 1.122 57.522 56.400 -0.000 0.000 0.806 174 E CB -0.233 29.509 29.700 0.069 0.000 0.750 174 E HN 0.397 nan 8.360 nan 0.000 0.458 175 V N 1.591 121.349 119.914 -0.261 0.000 2.358 175 V HA -0.240 3.879 4.120 -0.001 0.000 0.246 175 V C 2.080 178.132 176.094 -0.069 0.000 1.047 175 V CA 1.685 63.755 62.300 -0.383 0.000 1.035 175 V CB -0.320 31.133 31.823 -0.617 0.000 0.658 175 V HN 0.168 nan 8.190 nan 0.000 0.452 176 K N 0.314 120.679 120.400 -0.058 0.000 2.057 176 K HA -0.150 4.169 4.320 -0.001 0.000 0.207 176 K C 2.300 178.927 176.600 0.045 0.000 1.049 176 K CA 1.542 57.830 56.287 0.002 0.000 0.931 176 K CB -0.440 32.057 32.500 -0.004 0.000 0.714 176 K HN 0.473 nan 8.250 nan 0.000 0.440 177 A N 0.950 123.804 122.820 0.058 0.000 1.902 177 A HA -0.182 4.137 4.320 -0.001 0.000 0.217 177 A C 2.018 179.669 177.584 0.113 0.000 1.181 177 A CA 1.248 53.331 52.037 0.076 0.000 0.623 177 A CB -0.686 18.363 19.000 0.081 0.000 0.818 177 A HN 0.367 nan 8.150 nan 0.000 0.443 178 F N 0.597 120.567 119.950 0.034 0.000 2.102 178 F HA -0.118 4.408 4.527 -0.001 0.000 0.298 178 F C 1.927 177.749 175.800 0.036 0.000 1.105 178 F CA 1.708 59.748 58.000 0.067 0.000 1.239 178 F CB -0.281 38.835 39.000 0.193 0.000 0.991 178 F HN 0.138 nan 8.300 nan 0.000 0.474 179 L N -0.014 121.279 121.223 0.117 0.000 2.017 179 L HA -0.209 4.130 4.340 -0.001 0.000 0.208 179 L C 2.480 179.281 176.870 -0.115 0.000 1.073 179 L CA 1.820 56.647 54.840 -0.023 0.000 0.745 179 L CB -0.828 41.269 42.059 0.063 0.000 0.894 179 L HN 0.144 nan 8.230 nan 0.000 0.432 180 E N 0.419 120.595 120.200 -0.039 0.000 2.106 180 E HA -0.178 4.171 4.350 -0.001 0.000 0.192 180 E C 2.079 178.631 176.600 -0.079 0.000 0.984 180 E CA 1.447 57.836 56.400 -0.018 0.000 0.806 180 E CB -0.097 29.624 29.700 0.035 0.000 0.750 180 E HN 0.373 nan 8.360 nan 0.000 0.458 181 A N 0.481 123.231 122.820 -0.117 0.000 1.877 181 A HA -0.190 4.129 4.320 -0.001 0.000 0.216 181 A C 2.108 179.565 177.584 -0.212 0.000 1.186 181 A CA 1.564 53.516 52.037 -0.141 0.000 0.620 181 A CB -0.536 18.384 19.000 -0.134 0.000 0.822 181 A HN 0.220 nan 8.150 nan 0.000 0.443 182 Q N -0.456 119.130 119.800 -0.357 0.000 2.167 182 Q HA -0.069 4.271 4.340 -0.001 0.000 0.202 182 Q C 2.358 178.210 176.000 -0.246 0.000 0.970 182 Q CA 1.431 57.017 55.803 -0.362 0.000 0.855 182 Q CB -0.684 27.722 28.738 -0.554 0.000 0.911 182 Q HN 0.669 nan 8.270 nan 0.000 0.438 183 A N 1.247 123.920 122.820 -0.245 0.000 1.873 183 A HA -0.173 4.146 4.320 -0.001 0.000 0.215 183 A C 2.191 179.679 177.584 -0.160 0.000 1.186 183 A CA 1.179 53.057 52.037 -0.266 0.000 0.616 183 A CB -0.391 18.348 19.000 -0.435 0.000 0.823 183 A HN 0.236 nan 8.150 nan 0.000 0.442 184 R N -0.874 119.564 120.500 -0.104 0.000 2.073 184 R HA -0.145 4.194 4.340 -0.001 0.000 0.234 184 R C 2.563 178.824 176.300 -0.065 0.000 1.134 184 R CA 1.607 57.674 56.100 -0.055 0.000 0.952 184 R CB -0.377 29.901 30.300 -0.038 0.000 0.850 184 R HN 0.620 nan 8.270 nan 0.000 0.433 185 R N 0.832 121.280 120.500 -0.087 0.000 2.083 185 R HA -0.147 4.193 4.340 -0.001 0.000 0.237 185 R C 2.145 178.403 176.300 -0.071 0.000 1.137 185 R CA 1.743 57.796 56.100 -0.078 0.000 0.951 185 R CB -0.278 29.964 30.300 -0.097 0.000 0.851 185 R HN 0.231 nan 8.270 nan 0.000 0.434 186 A N 1.137 123.905 122.820 -0.088 0.000 1.898 186 A HA -0.086 4.234 4.320 -0.001 0.000 0.216 186 A C 2.260 179.811 177.584 -0.054 0.000 1.181 186 A CA 1.194 53.188 52.037 -0.072 0.000 0.620 186 A CB -0.495 18.452 19.000 -0.088 0.000 0.819 186 A HN 0.358 nan 8.150 nan 0.000 0.442 187 L N -0.444 120.744 121.223 -0.058 0.000 2.056 187 L HA -0.138 4.201 4.340 -0.001 0.000 0.207 187 L C 2.722 179.572 176.870 -0.033 0.000 1.078 187 L CA 1.430 56.247 54.840 -0.038 0.000 0.749 187 L CB -0.428 41.617 42.059 -0.023 0.000 0.901 187 L HN 0.293 nan 8.230 nan 0.000 0.433 188 S N -0.103 115.576 115.700 -0.034 0.000 2.447 188 S HA -0.063 4.406 4.470 -0.001 0.000 0.233 188 S C 1.904 176.486 174.600 -0.030 0.000 1.006 188 S CA 1.015 59.198 58.200 -0.030 0.000 0.957 188 S CB -0.132 63.051 63.200 -0.029 0.000 0.773 188 S HN 0.476 nan 8.310 nan 0.000 0.507 189 A N 0.124 122.925 122.820 -0.032 0.000 2.251 189 A HA 0.535 4.854 4.320 -0.001 0.000 0.209 189 A C 1.610 179.178 177.584 -0.026 0.000 1.187 189 A CA 0.794 52.814 52.037 -0.028 0.000 0.823 189 A CB -0.424 18.559 19.000 -0.029 0.000 0.846 189 A HN 0.718 nan 8.150 nan 0.000 0.486 190 G N -1.852 106.931 108.800 -0.029 0.000 2.231 190 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.206 190 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.206 190 G C 0.185 175.070 174.900 -0.025 0.000 0.996 190 G CA -0.112 44.971 45.100 -0.029 0.000 0.645 190 G HN 0.675 nan 8.290 nan 0.000 0.498 191 V N 3.409 123.312 119.914 -0.018 0.000 2.540 191 V HA 0.155 4.274 4.120 -0.001 0.000 0.297 191 V C 0.386 176.469 176.094 -0.018 0.000 1.024 191 V CA 0.042 62.340 62.300 -0.004 0.000 1.105 191 V CB 1.117 32.936 31.823 -0.007 0.000 0.938 191 V HN 0.299 nan 8.190 nan 0.000 0.482 192 P HA -0.149 nan 4.420 nan 0.000 0.217 192 P C 0.310 177.576 177.300 -0.056 0.000 1.150 192 P CA 1.139 64.180 63.100 -0.097 0.000 0.832 192 P CB 0.636 32.214 31.700 -0.204 0.000 0.787 193 Q N -1.384 118.435 119.800 0.031 0.000 2.472 193 Q HA 0.466 4.805 4.340 -0.001 0.000 0.281 193 Q C -2.183 173.844 176.000 0.046 0.000 0.997 193 Q CA -0.695 55.143 55.803 0.060 0.000 0.828 193 Q CB 2.516 31.329 28.738 0.124 0.000 1.443 193 Q HN -0.264 nan 8.270 nan 0.000 0.390 194 V N 2.210 122.129 119.914 0.009 0.000 2.604 194 V HA 0.568 4.687 4.120 -0.001 0.000 0.305 194 V C -0.702 175.371 176.094 -0.036 0.000 1.043 194 V CA -0.685 61.576 62.300 -0.065 0.000 0.888 194 V CB 1.964 33.654 31.823 -0.222 0.000 0.995 194 V HN 0.626 nan 8.190 nan 0.000 0.429 195 V N 5.834 125.734 119.914 -0.023 0.000 2.417 195 V HA 0.482 4.601 4.120 -0.001 0.000 0.291 195 V C -0.200 175.883 176.094 -0.019 0.000 1.024 195 V CA -0.506 61.798 62.300 0.007 0.000 0.861 195 V CB 1.670 33.502 31.823 0.015 0.000 0.985 195 V HN 0.609 nan 8.190 nan 0.000 0.436 196 L N 4.318 125.544 121.223 0.006 0.000 2.289 196 L HA 0.624 4.963 4.340 -0.001 0.000 0.285 196 L C -0.498 176.380 176.870 0.012 0.000 1.049 196 L CA -0.276 54.565 54.840 0.001 0.000 0.804 196 L CB 1.462 43.537 42.059 0.027 0.000 1.195 196 L HN 0.561 nan 8.230 nan 0.000 0.428 197 D N 4.736 125.136 120.400 0.000 0.000 2.696 197 D HA 0.256 4.895 4.640 -0.001 0.000 0.251 197 D C -1.976 174.295 176.300 -0.047 0.000 1.188 197 D CA -1.812 52.182 54.000 -0.011 0.000 0.876 197 D CB 2.827 43.612 40.800 -0.026 0.000 1.334 197 D HN 0.178 nan 8.370 nan 0.000 0.540 198 P HA 0.043 nan 4.420 nan 0.000 0.231 198 P C 0.720 177.853 177.300 -0.279 0.000 1.158 198 P CA 0.671 63.603 63.100 -0.280 0.000 0.763 198 P CB 0.109 31.481 31.700 -0.547 0.000 0.805 199 G N 0.059 108.748 108.800 -0.184 0.000 2.324 199 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.292 199 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.292 199 G C -0.241 174.744 174.900 0.141 0.000 1.079 199 G CA -0.599 44.461 45.100 -0.066 0.000 1.026 199 G HN 0.200 nan 8.290 nan 0.000 0.506 200 F N -0.064 120.035 119.950 0.247 0.000 2.607 200 F HA 0.348 4.874 4.527 -0.001 0.000 0.374 200 F C 1.813 177.799 175.800 0.309 0.000 1.104 200 F CA 1.719 59.858 58.000 0.231 0.000 1.296 200 F CB 0.972 40.069 39.000 0.162 0.000 1.085 200 F HN 0.909 nan 8.300 nan 0.000 0.584 201 G N 2.577 111.603 108.800 0.376 0.000 2.159 201 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.256 201 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.256 201 G C -0.294 174.586 174.900 -0.033 0.000 0.977 201 G CA -0.558 44.635 45.100 0.154 0.000 0.652 201 G HN 0.460 nan 8.290 nan 0.000 0.531 202 F N 1.075 121.095 119.950 0.117 0.000 2.325 202 F HA 0.538 5.065 4.527 -0.001 0.000 0.369 202 F C 1.275 177.141 175.800 0.109 0.000 1.095 202 F CA -0.171 57.878 58.000 0.083 0.000 1.082 202 F CB 1.474 40.498 39.000 0.041 0.000 1.289 202 F HN 0.698 nan 8.300 nan 0.000 0.462 203 G N 2.706 111.621 108.800 0.192 0.000 2.273 203 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.280 203 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.280 203 G C -0.228 174.872 174.900 0.333 0.000 1.047 203 G CA -0.130 45.100 45.100 0.217 0.000 0.869 203 G HN 0.531 nan 8.290 nan 0.000 0.502 204 K N -0.582 120.002 120.400 0.308 0.000 2.482 204 K HA 0.577 4.896 4.320 -0.001 0.000 0.251 204 K C 0.549 177.350 176.600 0.334 0.000 0.936 204 K CA -0.962 55.581 56.287 0.425 0.000 0.791 204 K CB 1.924 34.611 32.500 0.311 0.000 1.213 204 K HN 0.142 nan 8.250 nan 0.000 0.428 205 L N 2.731 124.186 121.223 0.387 0.000 2.475 205 L HA 0.153 4.492 4.340 -0.001 0.000 0.253 205 L C 1.647 178.527 176.870 0.016 0.000 1.198 205 L CA -0.390 54.482 54.840 0.054 0.000 0.814 205 L CB 0.131 42.073 42.059 -0.194 0.000 1.134 205 L HN 0.589 nan 8.230 nan 0.000 0.478 206 L N 1.000 122.212 121.223 -0.019 0.000 2.042 206 L HA -0.210 4.129 4.340 -0.001 0.000 0.210 206 L C 2.206 179.060 176.870 -0.026 0.000 1.076 206 L CA 1.868 56.704 54.840 -0.007 0.000 0.749 206 L CB -0.549 41.495 42.059 -0.026 0.000 0.893 206 L HN 0.624 nan 8.230 nan 0.000 0.432 207 E N -0.997 119.136 120.200 -0.113 0.000 2.118 207 E HA -0.238 4.111 4.350 -0.001 0.000 0.195 207 E C 2.009 178.586 176.600 -0.038 0.000 0.992 207 E CA 1.927 58.257 56.400 -0.116 0.000 0.804 207 E CB -0.321 29.261 29.700 -0.197 0.000 0.741 207 E HN 0.724 nan 8.360 nan 0.000 0.458 208 H N -0.368 118.743 119.070 0.069 0.000 2.363 208 H HA 0.070 4.625 4.556 -0.001 0.000 0.301 208 H C 1.770 177.137 175.328 0.065 0.000 1.074 208 H CA 0.798 56.872 56.048 0.043 0.000 1.354 208 H CB 0.130 29.925 29.762 0.056 0.000 1.397 208 H HN 0.083 nan 8.280 nan 0.000 0.516 209 N N 0.820 119.669 118.700 0.248 0.000 2.120 209 N HA -0.128 4.612 4.740 -0.001 0.000 0.188 209 N C 1.952 177.620 175.510 0.263 0.000 1.024 209 N CA 0.832 54.087 53.050 0.342 0.000 0.852 209 N CB -0.134 38.536 38.487 0.305 0.000 1.003 209 N HN 0.315 nan 8.380 nan 0.000 0.424 210 L N 0.943 122.237 121.223 0.118 0.000 2.017 210 L HA -0.133 4.207 4.340 -0.001 0.000 0.208 210 L C 2.544 179.463 176.870 0.081 0.000 1.073 210 L CA 1.153 56.021 54.840 0.046 0.000 0.745 210 L CB -0.526 41.531 42.059 -0.002 0.000 0.894 210 L HN 0.114 nan 8.230 nan 0.000 0.432 211 A N 0.061 122.939 122.820 0.097 0.000 1.908 211 A HA -0.188 4.131 4.320 -0.001 0.000 0.218 211 A C 2.238 179.889 177.584 0.112 0.000 1.181 211 A CA 1.518 53.609 52.037 0.091 0.000 0.627 211 A CB -0.734 18.317 19.000 0.084 0.000 0.818 211 A HN 0.360 nan 8.150 nan 0.000 0.445 212 L N -0.860 120.448 121.223 0.141 0.000 2.046 212 L HA -0.166 4.173 4.340 -0.001 0.000 0.208 212 L C 2.593 179.646 176.870 0.306 0.000 1.077 212 L CA 0.986 55.915 54.840 0.148 0.000 0.747 212 L CB -0.449 41.628 42.059 0.030 0.000 0.896 212 L HN 0.377 nan 8.230 nan 0.000 0.432 213 L N -0.709 120.747 121.223 0.389 0.000 2.027 213 L HA -0.190 4.150 4.340 -0.001 0.000 0.206 213 L C 2.782 179.867 176.870 0.358 0.000 1.074 213 L CA 1.278 56.318 54.840 0.334 0.000 0.745 213 L CB -0.369 41.721 42.059 0.051 0.000 0.898 213 L HN 0.169 nan 8.230 nan 0.000 0.433 214 R N -0.233 120.408 120.500 0.234 0.000 2.152 214 R HA -0.095 4.244 4.340 -0.001 0.000 0.232 214 R C 1.224 177.670 176.300 0.243 0.000 1.117 214 R CA 0.949 57.213 56.100 0.273 0.000 0.981 214 R CB -0.077 30.306 30.300 0.138 0.000 0.870 214 R HN 0.308 nan 8.270 nan 0.000 0.451 215 R N 0.048 120.657 120.500 0.182 0.000 2.652 215 R HA 0.102 4.441 4.340 -0.001 0.000 0.372 215 R C 0.736 177.105 176.300 0.115 0.000 1.104 215 R CA -0.294 55.880 56.100 0.124 0.000 1.072 215 R CB 0.410 30.759 30.300 0.082 0.000 1.367 215 R HN 0.005 nan 8.270 nan 0.000 0.577 216 L N 2.263 123.585 121.223 0.164 0.000 2.187 216 L HA -0.205 4.134 4.340 -0.001 0.000 0.213 216 L C 1.852 178.772 176.870 0.083 0.000 1.100 216 L CA 1.939 56.868 54.840 0.148 0.000 0.765 216 L CB -0.324 41.863 42.059 0.212 0.000 0.904 216 L HN 0.326 nan 8.230 nan 0.000 0.437 217 D N -1.195 119.241 120.400 0.060 0.000 2.221 217 D HA -0.269 4.370 4.640 -0.001 0.000 0.204 217 D C 1.542 177.862 176.300 0.032 0.000 0.982 217 D CA 1.387 55.406 54.000 0.032 0.000 0.857 217 D CB -0.319 40.493 40.800 0.021 0.000 0.934 217 D HN 0.545 nan 8.370 nan 0.000 0.475 218 E N 0.156 120.379 120.200 0.038 0.000 2.208 218 E HA -0.013 4.336 4.350 -0.001 0.000 0.193 218 E C 2.364 178.978 176.600 0.024 0.000 0.988 218 E CA 0.337 56.753 56.400 0.028 0.000 0.828 218 E CB 0.113 29.829 29.700 0.027 0.000 0.763 218 E HN 0.431 nan 8.360 nan 0.000 0.478 219 I N 0.258 120.846 120.570 0.030 0.000 2.480 219 I HA -0.169 4.000 4.170 -0.001 0.000 0.251 219 I C 2.199 178.339 176.117 0.039 0.000 1.124 219 I CA 0.448 61.766 61.300 0.031 0.000 1.444 219 I CB 0.014 38.029 38.000 0.026 0.000 1.098 219 I HN -0.031 nan 8.210 nan 0.000 0.428 220 V N 1.419 121.354 119.914 0.036 0.000 2.490 220 V HA -0.266 3.854 4.120 -0.001 0.000 0.250 220 V C 2.669 178.769 176.094 0.010 0.000 1.061 220 V CA 1.873 64.189 62.300 0.028 0.000 1.064 220 V CB -0.897 30.939 31.823 0.022 0.000 0.670 220 V HN 0.490 nan 8.190 nan 0.000 0.461 221 A N -0.458 122.366 122.820 0.008 0.000 2.178 221 A HA -0.080 4.239 4.320 -0.001 0.000 0.218 221 A C 2.057 179.626 177.584 -0.024 0.000 1.157 221 A CA 1.129 53.163 52.037 -0.006 0.000 0.689 221 A CB -0.543 18.458 19.000 0.002 0.000 0.787 221 A HN 0.560 nan 8.150 nan 0.000 0.465 222 L N -1.587 119.628 121.223 -0.013 0.000 2.551 222 L HA 0.038 4.377 4.340 -0.001 0.000 0.228 222 L C 1.976 178.731 176.870 -0.191 0.000 1.153 222 L CA 0.710 55.532 54.840 -0.031 0.000 0.851 222 L CB -0.318 41.787 42.059 0.077 0.000 0.959 222 L HN 0.595 nan 8.230 nan 0.000 0.451 223 G N -1.457 107.238 108.800 -0.174 0.000 2.217 223 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.246 223 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.246 223 G C 0.289 175.009 174.900 -0.299 0.000 0.990 223 G CA -0.184 44.760 45.100 -0.261 0.000 0.627 223 G HN 0.412 nan 8.290 nan 0.000 0.522 224 H N 1.031 120.102 119.070 0.002 0.000 2.496 224 H HA 0.455 5.010 4.556 -0.001 0.000 0.342 224 H C -2.340 172.994 175.328 0.010 0.000 1.170 224 H CA -1.688 54.364 56.048 0.005 0.000 1.274 224 H CB 0.884 30.646 29.762 0.000 0.000 1.538 224 H HN 0.081 nan 8.280 nan 0.000 0.542 225 P HA 0.025 nan 4.420 nan 0.000 0.271 225 P C -0.507 176.839 177.300 0.076 0.000 1.216 225 P CA -0.066 63.083 63.100 0.081 0.000 0.771 225 P CB 0.657 32.399 31.700 0.071 0.000 0.864 226 V N 4.593 124.540 119.914 0.055 0.000 2.483 226 V HA 0.400 4.519 4.120 -0.001 0.000 0.295 226 V C -0.030 176.086 176.094 0.036 0.000 1.035 226 V CA -0.544 61.787 62.300 0.051 0.000 0.896 226 V CB 1.487 33.344 31.823 0.057 0.000 0.986 226 V HN 0.358 nan 8.190 nan 0.000 0.447 227 L N 6.934 128.178 121.223 0.035 0.000 2.341 227 L HA 0.888 5.227 4.340 -0.001 0.000 0.278 227 L C -0.514 176.396 176.870 0.065 0.000 1.005 227 L CA -0.228 54.625 54.840 0.022 0.000 0.818 227 L CB 1.940 44.000 42.059 0.003 0.000 1.259 227 L HN 0.571 nan 8.230 nan 0.000 0.418 228 V N 1.153 121.112 119.914 0.074 0.000 2.876 228 V HA 1.039 5.158 4.120 -0.001 0.000 0.312 228 V C -0.234 175.946 176.094 0.143 0.000 1.085 228 V CA -0.051 62.373 62.300 0.206 0.000 0.945 228 V CB 1.570 33.587 31.823 0.323 0.000 1.017 228 V HN 1.026 nan 8.190 nan 0.000 0.428 229 G N 2.481 111.453 108.800 0.287 0.000 2.954 229 G HA2 0.590 4.549 3.960 -0.001 0.000 0.290 229 G HA3 0.590 4.549 3.960 -0.001 0.000 0.290 229 G C -0.652 174.462 174.900 0.357 0.000 1.574 229 G CA -0.340 44.920 45.100 0.268 0.000 1.088 229 G HN 0.832 nan 8.290 nan 0.000 0.557 230 L N 1.168 122.645 121.223 0.422 0.000 2.808 230 L HA 0.227 4.566 4.340 -0.001 0.000 0.246 230 L C 1.255 178.143 176.870 0.029 0.000 1.153 230 L CA -0.032 54.859 54.840 0.086 0.000 0.956 230 L CB 0.650 42.575 42.059 -0.224 0.000 1.270 230 L HN 0.344 nan 8.230 nan 0.000 0.528 231 S N 1.188 117.006 115.700 0.196 0.000 2.546 231 S HA 0.055 4.524 4.470 -0.001 0.000 0.290 231 S C 0.858 175.547 174.600 0.147 0.000 1.262 231 S CA -0.001 58.325 58.200 0.211 0.000 1.083 231 S CB 0.041 63.481 63.200 0.400 0.000 0.859 231 S HN 0.391 nan 8.310 nan 0.000 0.495 232 R N -0.232 120.291 120.500 0.037 0.000 3.946 232 R HA -0.163 4.176 4.340 -0.001 0.000 0.329 232 R C -0.229 176.062 176.300 -0.015 0.000 1.209 232 R CA 0.875 56.959 56.100 -0.026 0.000 0.909 232 R CB -1.218 29.017 30.300 -0.109 0.000 1.355 232 R HN 0.444 nan 8.270 nan 0.000 0.539 233 K N 1.093 121.496 120.400 0.006 0.000 2.180 233 K HA 0.108 4.427 4.320 -0.001 0.000 0.251 233 K C 1.384 177.975 176.600 -0.016 0.000 1.014 233 K CA -0.151 56.142 56.287 0.011 0.000 0.913 233 K CB 0.317 32.843 32.500 0.044 0.000 1.008 233 K HN 0.155 nan 8.250 nan 0.000 0.490 234 R N 0.422 120.914 120.500 -0.013 0.000 2.105 234 R HA -0.131 4.208 4.340 -0.001 0.000 0.239 234 R C 2.022 178.309 176.300 -0.022 0.000 1.135 234 R CA 1.828 57.917 56.100 -0.019 0.000 0.967 234 R CB -0.385 29.905 30.300 -0.015 0.000 0.861 234 R HN 0.613 nan 8.270 nan 0.000 0.442 235 T N 1.521 116.066 114.554 -0.015 0.000 2.699 235 T HA -0.124 4.225 4.350 -0.001 0.000 0.268 235 T C 1.822 176.482 174.700 -0.066 0.000 1.036 235 T CA 1.196 63.276 62.100 -0.035 0.000 1.147 235 T CB -0.088 68.755 68.868 -0.041 0.000 0.862 235 T HN 0.082 nan 8.240 nan 0.000 0.446 236 I N 1.373 121.897 120.570 -0.076 0.000 2.252 236 I HA -0.035 4.134 4.170 -0.001 0.000 0.245 236 I C 2.906 178.987 176.117 -0.061 0.000 1.102 236 I CA 1.279 62.527 61.300 -0.087 0.000 1.385 236 I CB -1.891 36.053 38.000 -0.095 0.000 1.064 236 I HN 0.304 nan 8.210 nan 0.000 0.414 237 G N 0.624 109.396 108.800 -0.048 0.000 2.418 237 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.217 237 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.217 237 G C 1.599 176.478 174.900 -0.036 0.000 1.158 237 G CA 0.544 45.621 45.100 -0.038 0.000 0.771 237 G HN 0.413 nan 8.290 nan 0.000 0.545 238 E N -0.002 120.176 120.200 -0.038 0.000 2.051 238 E HA -0.022 4.327 4.350 -0.001 0.000 0.192 238 E C 2.542 179.117 176.600 -0.041 0.000 0.991 238 E CA 0.739 57.118 56.400 -0.036 0.000 0.799 238 E CB -0.185 29.494 29.700 -0.034 0.000 0.748 238 E HN 0.387 nan 8.360 nan 0.000 0.449 239 L N 0.517 121.708 121.223 -0.053 0.000 2.240 239 L HA -0.055 4.284 4.340 -0.001 0.000 0.211 239 L C 2.400 179.239 176.870 -0.052 0.000 1.106 239 L CA 1.059 55.863 54.840 -0.060 0.000 0.793 239 L CB -0.214 41.794 42.059 -0.084 0.000 0.927 239 L HN 0.174 nan 8.230 nan 0.000 0.446 240 S N -1.002 114.670 115.700 -0.047 0.000 2.517 240 S HA 0.174 4.643 4.470 -0.001 0.000 0.214 240 S C 1.466 176.051 174.600 -0.025 0.000 0.991 240 S CA 0.341 58.520 58.200 -0.035 0.000 0.906 240 S CB 0.535 63.718 63.200 -0.029 0.000 0.789 240 S HN 0.456 nan 8.310 nan 0.000 0.513 241 G N 0.662 109.446 108.800 -0.027 0.000 2.198 241 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.257 241 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.257 241 G C -0.175 174.715 174.900 -0.017 0.000 1.042 241 G CA 0.124 45.212 45.100 -0.021 0.000 0.791 241 G HN 0.799 nan 8.290 nan 0.000 0.502 242 V N 0.181 120.084 119.914 -0.019 0.000 2.334 242 V HA 0.378 4.497 4.120 -0.001 0.000 0.281 242 V C 1.252 177.334 176.094 -0.021 0.000 1.016 242 V CA 0.272 62.562 62.300 -0.016 0.000 0.832 242 V CB 1.565 33.380 31.823 -0.012 0.000 0.999 242 V HN 0.517 nan 8.190 nan 0.000 0.439 243 E N 2.912 123.101 120.200 -0.019 0.000 2.107 243 E HA -0.122 4.227 4.350 -0.001 0.000 0.191 243 E C 0.720 177.305 176.600 -0.025 0.000 0.982 243 E CA 0.493 56.880 56.400 -0.021 0.000 0.809 243 E CB 0.292 29.982 29.700 -0.018 0.000 0.756 243 E HN 0.773 nan 8.360 nan 0.000 0.459 244 D N 0.300 120.686 120.400 -0.024 0.000 2.339 244 D HA 0.032 4.671 4.640 -0.001 0.000 0.256 244 D C -1.871 174.405 176.300 -0.039 0.000 1.214 244 D CA -2.239 51.743 54.000 -0.029 0.000 0.877 244 D CB 1.487 42.272 40.800 -0.025 0.000 1.111 244 D HN -0.052 nan 8.370 nan 0.000 0.478 245 P HA -0.115 nan 4.420 nan 0.000 0.217 245 P C 0.724 177.974 177.300 -0.084 0.000 1.148 245 P CA 1.242 64.303 63.100 -0.064 0.000 0.828 245 P CB 0.215 31.874 31.700 -0.069 0.000 0.783 246 A N -1.002 121.771 122.820 -0.078 0.000 2.206 246 A HA -0.081 4.238 4.320 -0.001 0.000 0.211 246 A C 1.590 179.134 177.584 -0.067 0.000 1.158 246 A CA 1.023 53.010 52.037 -0.084 0.000 0.761 246 A CB -0.540 18.419 19.000 -0.067 0.000 0.801 246 A HN 0.094 nan 8.150 nan 0.000 0.473 247 Q N -0.651 119.117 119.800 -0.054 0.000 2.175 247 Q HA 0.203 4.542 4.340 -0.001 0.000 0.225 247 Q C 0.269 176.241 176.000 -0.047 0.000 0.837 247 Q CA 0.063 55.840 55.803 -0.045 0.000 1.032 247 Q CB 0.407 29.131 28.738 -0.022 0.000 1.137 247 Q HN 0.640 nan 8.270 nan 0.000 0.483 248 R N -0.077 120.387 120.500 -0.061 0.000 2.515 248 R HA 0.126 4.465 4.340 -0.001 0.000 0.294 248 R C 1.714 177.966 176.300 -0.080 0.000 1.021 248 R CA -0.069 55.998 56.100 -0.056 0.000 1.081 248 R CB 0.294 30.562 30.300 -0.053 0.000 1.263 248 R HN -0.029 nan 8.270 nan 0.000 0.557 249 V N 0.724 120.552 119.914 -0.142 0.000 2.332 249 V HA -0.287 3.832 4.120 -0.001 0.000 0.248 249 V C 1.872 177.823 176.094 -0.238 0.000 1.055 249 V CA 1.911 64.091 62.300 -0.200 0.000 1.038 249 V CB -0.231 31.415 31.823 -0.295 0.000 0.651 249 V HN 0.472 nan 8.190 nan 0.000 0.450 250 H N 0.082 119.116 119.070 -0.061 0.000 2.389 250 H HA -0.007 4.547 4.556 -0.002 0.000 0.299 250 H C 2.271 177.545 175.328 -0.090 0.000 1.081 250 H CA 1.512 57.515 56.048 -0.075 0.000 1.345 250 H CB -0.802 28.928 29.762 -0.052 0.000 1.393 250 H HN 0.555 nan 8.280 nan 0.000 0.520 251 G N -0.162 108.652 108.800 0.024 0.000 2.421 251 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.217 251 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.217 251 G C 1.939 176.768 174.900 -0.118 0.000 1.143 251 G CA 0.784 45.857 45.100 -0.046 0.000 0.784 251 G HN 0.303 nan 8.290 nan 0.000 0.541 252 S N 0.066 115.688 115.700 -0.130 0.000 2.368 252 S HA -0.091 4.378 4.470 -0.001 0.000 0.224 252 S C 2.492 176.957 174.600 -0.225 0.000 1.029 252 S CA 1.039 59.105 58.200 -0.222 0.000 0.988 252 S CB -0.227 62.924 63.200 -0.083 0.000 0.838 252 S HN 0.168 nan 8.310 nan 0.000 0.462 253 V N 2.094 121.915 119.914 -0.154 0.000 2.343 253 V HA -0.207 3.912 4.120 -0.001 0.000 0.247 253 V C 2.644 178.666 176.094 -0.121 0.000 1.051 253 V CA 1.696 63.876 62.300 -0.200 0.000 1.036 253 V CB -1.190 30.460 31.823 -0.288 0.000 0.654 253 V HN 0.536 nan 8.190 nan 0.000 0.451 254 A N -0.019 122.734 122.820 -0.111 0.000 1.877 254 A HA -0.139 4.180 4.320 -0.001 0.000 0.216 254 A C 2.425 179.944 177.584 -0.107 0.000 1.186 254 A CA 2.164 54.141 52.037 -0.101 0.000 0.620 254 A CB -0.807 18.151 19.000 -0.071 0.000 0.822 254 A HN 0.576 nan 8.150 nan 0.000 0.443 255 A N -0.980 121.745 122.820 -0.158 0.000 1.933 255 A HA -0.167 4.152 4.320 -0.001 0.000 0.218 255 A C 1.929 179.487 177.584 -0.043 0.000 1.175 255 A CA 1.677 53.614 52.037 -0.167 0.000 0.628 255 A CB -0.939 17.878 19.000 -0.305 0.000 0.814 255 A HN 0.766 nan 8.150 nan 0.000 0.444 256 H N -0.712 118.335 119.070 -0.039 0.000 2.389 256 H HA 0.062 4.618 4.556 -0.001 0.000 0.299 256 H C 1.912 177.159 175.328 -0.136 0.000 1.081 256 H CA 1.012 57.043 56.048 -0.029 0.000 1.345 256 H CB -0.057 29.763 29.762 0.097 0.000 1.393 256 H HN 0.350 nan 8.280 nan 0.000 0.520 257 L N -0.278 120.860 121.223 -0.142 0.000 2.141 257 L HA -0.177 4.162 4.340 -0.001 0.000 0.209 257 L C 2.178 178.744 176.870 -0.506 0.000 1.094 257 L CA 0.831 55.325 54.840 -0.577 0.000 0.763 257 L CB -0.304 41.226 42.059 -0.883 0.000 0.908 257 L HN 0.280 nan 8.230 nan 0.000 0.437 258 F N 0.806 120.557 119.950 -0.331 0.000 2.146 258 F HA -0.192 4.335 4.527 -0.001 0.000 0.298 258 F C 2.454 178.186 175.800 -0.113 0.000 1.096 258 F CA 1.244 59.134 58.000 -0.184 0.000 1.275 258 F CB -0.111 38.819 39.000 -0.116 0.000 1.008 258 F HN -0.010 nan 8.300 nan 0.000 0.480 259 A N -0.312 122.552 122.820 0.073 0.000 1.933 259 A HA -0.128 4.191 4.320 -0.001 0.000 0.218 259 A C 2.272 179.809 177.584 -0.079 0.000 1.175 259 A CA 1.865 53.928 52.037 0.044 0.000 0.628 259 A CB -1.341 17.730 19.000 0.119 0.000 0.814 259 A HN 0.264 nan 8.150 nan 0.000 0.444 260 V N -0.228 119.603 119.914 -0.138 0.000 2.343 260 V HA -0.304 3.815 4.120 -0.001 0.000 0.247 260 V C 2.571 178.556 176.094 -0.183 0.000 1.051 260 V CA 2.219 64.429 62.300 -0.149 0.000 1.036 260 V CB -0.639 31.068 31.823 -0.194 0.000 0.654 260 V HN 0.728 nan 8.190 nan 0.000 0.451 261 M N -0.566 118.880 119.600 -0.258 0.000 2.213 261 M HA -0.158 4.321 4.480 -0.001 0.000 0.263 261 M C 1.956 178.096 176.300 -0.267 0.000 1.062 261 M CA 1.667 56.788 55.300 -0.298 0.000 1.105 261 M CB -0.145 32.341 32.600 -0.189 0.000 1.385 261 M HN 0.107 nan 8.290 nan 0.000 0.417 262 K N -0.041 120.193 120.400 -0.276 0.000 2.486 262 K HA 0.107 4.426 4.320 -0.001 0.000 0.194 262 K C 1.216 177.769 176.600 -0.079 0.000 1.033 262 K CA 1.040 57.220 56.287 -0.177 0.000 1.004 262 K CB 0.105 32.512 32.500 -0.154 0.000 0.798 262 K HN 0.672 nan 8.250 nan 0.000 0.495 263 G N 0.320 109.071 108.800 -0.081 0.000 2.192 263 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.193 263 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.193 263 G C 0.067 174.956 174.900 -0.018 0.000 0.999 263 G CA -0.132 44.945 45.100 -0.038 0.000 0.659 263 G HN 0.068 nan 8.290 nan 0.000 0.503 264 V N 1.906 121.809 119.914 -0.018 0.000 2.637 264 V HA 0.443 4.562 4.120 -0.001 0.000 0.296 264 V C 1.271 177.355 176.094 -0.017 0.000 1.046 264 V CA 0.083 62.382 62.300 -0.001 0.000 1.066 264 V CB 1.405 33.239 31.823 0.019 0.000 0.968 264 V HN 0.301 nan 8.190 nan 0.000 0.483 265 R N 3.765 124.259 120.500 -0.010 0.000 2.535 265 R HA 0.426 4.765 4.340 -0.001 0.000 0.323 265 R C -0.769 175.515 176.300 -0.027 0.000 0.979 265 R CA 0.022 56.114 56.100 -0.014 0.000 1.120 265 R CB 0.405 30.706 30.300 0.000 0.000 1.306 265 R HN 0.528 nan 8.270 nan 0.000 0.540 266 L N 1.599 122.799 121.223 -0.038 0.000 2.406 266 L HA 0.538 4.877 4.340 -0.001 0.000 0.272 266 L C -0.900 175.908 176.870 -0.104 0.000 0.980 266 L CA -0.508 54.297 54.840 -0.059 0.000 0.831 266 L CB 2.181 44.220 42.059 -0.033 0.000 1.253 266 L HN -0.208 nan 8.230 nan 0.000 0.406 267 L N 3.627 124.746 121.223 -0.173 0.000 2.385 267 L HA 0.583 4.922 4.340 -0.001 0.000 0.273 267 L C -0.268 176.425 176.870 -0.295 0.000 0.990 267 L CA -0.594 54.056 54.840 -0.318 0.000 0.821 267 L CB 2.392 44.153 42.059 -0.496 0.000 1.279 267 L HN 0.550 nan 8.230 nan 0.000 0.412 268 R N 3.379 123.725 120.500 -0.257 0.000 2.198 268 R HA 0.623 4.962 4.340 -0.001 0.000 0.339 268 R C -1.050 175.119 176.300 -0.218 0.000 1.020 268 R CA -0.356 55.634 56.100 -0.184 0.000 0.864 268 R CB 1.107 31.356 30.300 -0.084 0.000 1.105 268 R HN 0.554 nan 8.270 nan 0.000 0.463 269 V N 1.129 120.887 119.914 -0.261 0.000 3.040 269 V HA 0.413 4.532 4.120 -0.001 0.000 0.312 269 V C 0.189 176.173 176.094 -0.183 0.000 1.115 269 V CA -0.691 61.473 62.300 -0.228 0.000 0.998 269 V CB 2.135 33.649 31.823 -0.515 0.000 1.042 269 V HN 0.810 nan 8.190 nan 0.000 0.433 270 H N -0.029 119.045 119.070 0.007 0.000 2.418 270 H HA 0.236 4.792 4.556 -0.000 0.000 0.300 270 H C -0.220 175.133 175.328 0.041 0.000 1.041 270 H CA 1.059 57.121 56.048 0.024 0.000 1.364 270 H CB 0.683 30.466 29.762 0.035 0.000 1.439 270 H HN 0.732 nan 8.280 nan 0.000 0.540 271 D N 2.358 122.892 120.400 0.224 0.000 2.494 271 D HA 0.080 4.720 4.640 -0.001 0.000 0.217 271 D C 1.323 177.760 176.300 0.228 0.000 1.153 271 D CA -0.047 54.066 54.000 0.188 0.000 0.954 271 D CB 2.088 42.987 40.800 0.165 0.000 1.034 271 D HN -0.015 nan 8.370 nan 0.000 0.518 272 V N 2.354 122.338 119.914 0.117 0.000 2.261 272 V HA -0.265 3.855 4.120 -0.001 0.000 0.246 272 V C 2.639 178.799 176.094 0.110 0.000 1.047 272 V CA 1.527 63.879 62.300 0.086 0.000 1.015 272 V CB -0.377 31.463 31.823 0.028 0.000 0.642 272 V HN 0.463 nan 8.190 nan 0.000 0.446 273 R N 0.305 120.851 120.500 0.078 0.000 2.083 273 R HA -0.205 4.134 4.340 -0.001 0.000 0.237 273 R C 2.313 178.651 176.300 0.063 0.000 1.137 273 R CA 1.825 57.961 56.100 0.060 0.000 0.951 273 R CB -0.547 29.777 30.300 0.040 0.000 0.851 273 R HN 0.489 nan 8.270 nan 0.000 0.434 274 A N 0.080 122.935 122.820 0.058 0.000 1.908 274 A HA -0.220 4.099 4.320 -0.001 0.000 0.218 274 A C 1.816 179.376 177.584 -0.041 0.000 1.181 274 A CA 1.943 53.974 52.037 -0.009 0.000 0.627 274 A CB -0.799 18.159 19.000 -0.071 0.000 0.818 274 A HN 0.551 nan 8.150 nan 0.000 0.445 275 H N -1.171 117.917 119.070 0.029 0.000 2.395 275 H HA 0.039 4.594 4.556 -0.002 0.000 0.299 275 H C 2.374 177.720 175.328 0.030 0.000 1.070 275 H CA 1.334 57.401 56.048 0.032 0.000 1.356 275 H CB 0.039 29.816 29.762 0.024 0.000 1.401 275 H HN 0.240 nan 8.280 nan 0.000 0.524 276 R N 0.879 121.461 120.500 0.136 0.000 2.081 276 R HA -0.119 4.220 4.340 -0.001 0.000 0.235 276 R C 1.966 178.311 176.300 0.074 0.000 1.131 276 R CA 1.319 57.471 56.100 0.087 0.000 0.960 276 R CB -0.230 30.108 30.300 0.063 0.000 0.856 276 R HN 0.569 nan 8.270 nan 0.000 0.436 277 E N 0.148 120.385 120.200 0.061 0.000 2.051 277 E HA -0.135 4.214 4.350 -0.001 0.000 0.192 277 E C 2.004 178.645 176.600 0.068 0.000 0.991 277 E CA 1.292 57.725 56.400 0.055 0.000 0.799 277 E CB -0.120 29.605 29.700 0.042 0.000 0.748 277 E HN 0.316 nan 8.360 nan 0.000 0.449 278 A N 1.020 123.872 122.820 0.055 0.000 1.902 278 A HA -0.144 4.175 4.320 -0.001 0.000 0.217 278 A C 2.178 179.848 177.584 0.143 0.000 1.181 278 A CA 1.035 53.117 52.037 0.075 0.000 0.623 278 A CB -0.605 18.392 19.000 -0.004 0.000 0.818 278 A HN 0.134 nan 8.150 nan 0.000 0.443 279 L N -0.622 120.679 121.223 0.130 0.000 2.141 279 L HA -0.097 4.242 4.340 -0.001 0.000 0.209 279 L C 2.780 179.753 176.870 0.172 0.000 1.094 279 L CA 0.825 55.769 54.840 0.174 0.000 0.763 279 L CB -0.705 41.430 42.059 0.126 0.000 0.908 279 L HN 0.495 nan 8.230 nan 0.000 0.437 280 G N -0.350 108.523 108.800 0.122 0.000 2.440 280 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.218 280 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.218 280 G C 1.554 176.517 174.900 0.105 0.000 1.154 280 G CA 1.059 46.217 45.100 0.096 0.000 0.767 280 G HN 0.203 nan 8.290 nan 0.000 0.552 281 V N -0.359 119.634 119.914 0.131 0.000 2.302 281 V HA -0.060 4.059 4.120 -0.001 0.000 0.243 281 V C 2.283 178.472 176.094 0.157 0.000 1.036 281 V CA 1.428 63.803 62.300 0.125 0.000 1.020 281 V CB -0.642 31.263 31.823 0.137 0.000 0.657 281 V HN 0.604 nan 8.190 nan 0.000 0.453 282 W N 1.407 122.738 121.300 0.052 0.000 2.318 282 W HA -0.204 4.455 4.660 -0.001 0.000 0.313 282 W C 2.303 178.871 176.519 0.082 0.000 1.221 282 W CA 2.275 59.661 57.345 0.069 0.000 1.266 282 W CB -0.134 29.357 29.460 0.051 0.000 1.150 282 W HN 0.386 nan 8.180 nan 0.000 0.496 283 E N -0.156 120.188 120.200 0.241 0.000 2.268 283 E HA -0.119 4.231 4.350 -0.001 0.000 0.195 283 E C 2.259 178.891 176.600 0.053 0.000 0.995 283 E CA 0.888 57.373 56.400 0.141 0.000 0.836 283 E CB -0.247 29.543 29.700 0.150 0.000 0.763 283 E HN 0.224 nan 8.360 nan 0.000 0.491 284 A N 0.889 123.731 122.820 0.037 0.000 1.930 284 A HA -0.065 4.255 4.320 -0.001 0.000 0.215 284 A C 2.077 179.639 177.584 -0.037 0.000 1.176 284 A CA 0.703 52.745 52.037 0.008 0.000 0.632 284 A CB -0.264 18.745 19.000 0.015 0.000 0.819 284 A HN 0.078 nan 8.150 nan 0.000 0.445 285 L N -2.564 118.607 121.223 -0.088 0.000 2.013 285 L HA -0.036 4.303 4.340 -0.001 0.000 0.204 285 L C 1.634 178.393 176.870 -0.186 0.000 1.081 285 L CA 0.867 55.611 54.840 -0.159 0.000 0.751 285 L CB -0.611 41.305 42.059 -0.238 0.000 0.901 285 L HN 0.468 nan 8.230 nan 0.000 0.440 286 Y N 1.345 121.381 120.300 -0.440 0.000 2.889 286 Y HA 0.327 4.876 4.550 -0.001 0.000 0.367 286 Y C 0.473 176.263 175.900 -0.185 0.000 1.197 286 Y CA -0.077 57.792 58.100 -0.386 0.000 1.993 286 Y CB -0.633 37.434 38.460 -0.654 0.000 2.112 286 Y HN 0.225 nan 8.280 nan 0.000 0.413 287 G N 0.000 108.820 108.800 0.033 0.000 5.446 287 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 287 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 287 G CA 0.000 45.132 45.100 0.053 0.000 0.502 287 G HN 0.000 nan 8.290 nan 0.000 0.925