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 3iwp_1_I DATA FIRST_RESID 24 DATA SEQUENCE NGFLMEVcVD SVESAVNAER GGADRIELcS GLSEGGTTPS MGVLQVVKQS DATA SEQUENCE VQIPVFVMIR PRGGDFLYSD REIEVMKADI RLAKLYGADG LVFGALTEDG DATA SEQUENCE HIDKELCMSL MAICRPLPVT FHRAFDMVHD PMAALETLLT LGFERVLTSG DATA SEQUENCE CDSSALEGLP LIKRLIEQAK GRIVVMPGGG ITDRNLQRIL EGSGATEFHC DATA SEQUENCE SARSTRDSGM KFRNSSXXXX XXXXXSEYSL KVTDVTKVRT LNAIAKNILV 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 24 N HA 0.000 nan 4.740 nan 0.000 0.220 24 N C 0.000 175.621 175.510 0.186 0.000 1.280 24 N CA 0.000 53.146 53.050 0.160 0.000 0.885 24 N CB 0.000 38.543 38.487 0.094 0.000 1.341 25 G N -0.243 108.621 108.800 0.107 0.000 2.212 25 G HA2 -0.275 3.685 3.960 0.000 0.000 0.266 25 G HA3 -0.275 3.685 3.960 0.000 0.000 0.266 25 G C -0.405 174.478 174.900 -0.028 0.000 0.978 25 G CA 0.441 45.551 45.100 0.017 0.000 0.632 25 G HN 0.304 nan 8.290 nan 0.000 0.537 26 F N 1.238 121.212 119.950 0.040 0.000 2.466 26 F HA 0.520 5.047 4.527 0.000 0.000 0.363 26 F C 1.101 176.923 175.800 0.036 0.000 1.109 26 F CA -0.150 57.896 58.000 0.076 0.000 1.161 26 F CB 0.628 39.707 39.000 0.132 0.000 1.117 26 F HN -0.032 nan 8.300 nan 0.000 0.539 27 L N 5.716 126.986 121.223 0.078 0.000 2.275 27 L HA 0.427 4.767 4.340 0.000 0.000 0.288 27 L C -0.108 176.580 176.870 -0.304 0.000 1.046 27 L CA -0.484 54.312 54.840 -0.073 0.000 0.805 27 L CB 1.452 43.443 42.059 -0.112 0.000 1.193 27 L HN 0.609 nan 8.230 nan 0.000 0.426 28 M N 4.755 124.097 119.600 -0.431 0.000 2.101 28 M HA 0.310 4.790 4.480 0.000 0.000 0.340 28 M C -0.446 175.552 176.300 -0.504 0.000 1.057 28 M CA -0.347 54.450 55.300 -0.839 0.000 0.984 28 M CB 1.292 33.507 32.600 -0.642 0.000 1.560 28 M HN 0.597 nan 8.290 nan 0.000 0.435 29 E N 4.300 124.196 120.200 -0.508 0.000 2.191 29 E HA 0.610 4.960 4.350 0.000 0.000 0.274 29 E C -1.973 174.411 176.600 -0.360 0.000 0.948 29 E CA -0.854 55.348 56.400 -0.330 0.000 0.802 29 E CB 2.194 31.755 29.700 -0.231 0.000 1.137 29 E HN 0.600 nan 8.360 nan 0.000 0.397 30 V N 4.423 124.162 119.914 -0.292 0.000 2.733 30 V HA 0.326 4.446 4.120 0.000 0.000 0.306 30 V C -0.888 175.086 176.094 -0.200 0.000 1.084 30 V CA -0.868 61.241 62.300 -0.318 0.000 0.905 30 V CB 1.364 33.071 31.823 -0.193 0.000 1.010 30 V HN 1.008 nan 8.190 nan 0.000 0.424 31 c N 6.829 125.307 118.600 -0.202 0.000 2.648 31 c HA 0.585 5.155 4.570 0.000 0.000 0.419 31 c C 0.380 174.463 174.090 -0.013 0.000 1.352 31 c CA 0.308 56.635 56.329 -0.003 0.000 1.816 31 c CB -0.329 42.236 42.510 0.093 0.000 2.598 31 c HN 1.006 nan 8.230 nan 0.000 0.598 32 V N 3.436 123.359 119.914 0.014 0.000 2.914 32 V HA 0.578 4.698 4.120 0.000 0.000 0.314 32 V C 0.005 176.113 176.094 0.023 0.000 1.084 32 V CA -0.388 61.918 62.300 0.011 0.000 0.963 32 V CB 2.036 33.863 31.823 0.006 0.000 1.025 32 V HN 0.758 nan 8.190 nan 0.000 0.432 33 D N 0.702 121.111 120.400 0.016 0.000 2.470 33 D HA 0.190 4.830 4.640 0.000 0.000 0.238 33 D C 0.752 177.058 176.300 0.011 0.000 1.054 33 D CA 1.388 55.397 54.000 0.015 0.000 0.896 33 D CB 1.411 42.217 40.800 0.011 0.000 1.118 33 D HN 0.914 nan 8.370 nan 0.000 0.497 34 S N -1.546 114.159 115.700 0.009 0.000 2.776 34 S HA 0.357 4.828 4.470 0.000 0.000 0.292 34 S C 0.914 175.519 174.600 0.009 0.000 1.187 34 S CA -0.452 57.752 58.200 0.007 0.000 0.834 34 S CB 1.470 64.673 63.200 0.005 0.000 1.199 34 S HN -0.196 nan 8.310 nan 0.000 0.514 35 V N 1.201 121.120 119.914 0.008 0.000 2.323 35 V HA -0.050 4.070 4.120 0.000 0.000 0.244 35 V C 2.735 178.834 176.094 0.009 0.000 1.041 35 V CA 2.205 64.511 62.300 0.010 0.000 1.025 35 V CB -1.127 30.702 31.823 0.010 0.000 0.656 35 V HN 1.021 nan 8.190 nan 0.000 0.451 36 E N 0.052 120.257 120.200 0.008 0.000 2.147 36 E HA -0.286 4.064 4.350 0.000 0.000 0.199 36 E C 2.391 178.994 176.600 0.005 0.000 1.005 36 E CA 1.709 58.113 56.400 0.007 0.000 0.810 36 E CB -0.181 29.523 29.700 0.007 0.000 0.736 36 E HN 0.517 nan 8.360 nan 0.000 0.460 37 S N -0.857 114.846 115.700 0.005 0.000 2.355 37 S HA -0.084 4.386 4.470 0.000 0.000 0.222 37 S C 1.930 176.530 174.600 0.000 0.000 1.031 37 S CA 1.102 59.303 58.200 0.002 0.000 0.993 37 S CB -0.204 62.998 63.200 0.003 0.000 0.859 37 S HN 0.441 nan 8.310 nan 0.000 0.453 38 A N 0.584 123.406 122.820 0.004 0.000 1.929 38 A HA 0.066 4.386 4.320 0.000 0.000 0.216 38 A C 2.275 179.861 177.584 0.003 0.000 1.176 38 A CA 1.394 53.434 52.037 0.004 0.000 0.628 38 A CB -0.817 18.191 19.000 0.013 0.000 0.816 38 A HN 0.419 nan 8.150 nan 0.000 0.444 39 V N 1.011 120.928 119.914 0.005 0.000 2.261 39 V HA -0.256 3.864 4.120 0.000 0.000 0.246 39 V C 2.263 178.358 176.094 0.001 0.000 1.047 39 V CA 2.195 64.498 62.300 0.005 0.000 1.015 39 V CB -0.960 30.867 31.823 0.007 0.000 0.642 39 V HN 0.539 nan 8.190 nan 0.000 0.446 40 N N 0.531 119.232 118.700 0.001 0.000 2.192 40 N HA -0.156 4.584 4.740 0.000 0.000 0.188 40 N C 1.763 177.270 175.510 -0.006 0.000 1.013 40 N CA 1.625 54.675 53.050 -0.001 0.000 0.863 40 N CB -0.521 37.965 38.487 -0.001 0.000 0.990 40 N HN 0.524 nan 8.380 nan 0.000 0.430 41 A N 0.908 123.722 122.820 -0.010 0.000 1.898 41 A HA -0.120 4.201 4.320 0.000 0.000 0.216 41 A C 2.153 179.727 177.584 -0.018 0.000 1.181 41 A CA 1.154 53.179 52.037 -0.020 0.000 0.620 41 A CB -0.359 18.624 19.000 -0.028 0.000 0.819 41 A HN 0.269 nan 8.150 nan 0.000 0.442 42 E N -0.407 119.787 120.200 -0.010 0.000 2.001 42 E HA -0.181 4.169 4.350 0.000 0.000 0.195 42 E C 2.280 178.877 176.600 -0.004 0.000 1.002 42 E CA 1.049 57.445 56.400 -0.007 0.000 0.819 42 E CB -0.201 29.498 29.700 -0.000 0.000 0.769 42 E HN 0.493 nan 8.360 nan 0.000 0.454 43 R N -0.324 120.175 120.500 -0.001 0.000 2.185 43 R HA -0.163 4.178 4.340 0.000 0.000 0.247 43 R C 2.238 178.539 176.300 0.000 0.000 1.159 43 R CA 1.109 57.209 56.100 0.001 0.000 0.988 43 R CB -0.365 29.936 30.300 0.002 0.000 0.871 43 R HN 0.216 nan 8.270 nan 0.000 0.458 44 G N -1.520 107.279 108.800 -0.002 0.000 2.551 44 G HA2 0.105 4.066 3.960 0.000 0.000 0.216 44 G HA3 0.105 4.066 3.960 0.000 0.000 0.216 44 G C 0.908 175.808 174.900 0.001 0.000 1.137 44 G CA 0.618 45.718 45.100 -0.001 0.000 0.798 44 G HN 0.493 nan 8.290 nan 0.000 0.536 45 G N -1.446 107.352 108.800 -0.004 0.000 2.205 45 G HA2 0.203 4.164 3.960 0.000 0.000 0.180 45 G HA3 0.203 4.164 3.960 0.000 0.000 0.180 45 G C 0.485 175.374 174.900 -0.017 0.000 1.004 45 G CA 0.147 45.245 45.100 -0.003 0.000 0.670 45 G HN 1.232 nan 8.290 nan 0.000 0.496 46 A N 0.574 123.374 122.820 -0.033 0.000 2.540 46 A HA 0.481 4.801 4.320 0.000 0.000 0.239 46 A C 1.204 178.749 177.584 -0.065 0.000 1.061 46 A CA 1.108 53.104 52.037 -0.068 0.000 0.758 46 A CB 0.259 19.214 19.000 -0.075 0.000 0.991 46 A HN 0.256 nan 8.150 nan 0.000 0.502 47 D N 0.587 120.930 120.400 -0.095 0.000 2.216 47 D HA 0.041 4.681 4.640 0.000 0.000 0.208 47 D C 0.839 177.086 176.300 -0.089 0.000 0.960 47 D CA 0.946 54.898 54.000 -0.080 0.000 0.861 47 D CB 0.304 41.049 40.800 -0.092 0.000 0.985 47 D HN 0.622 nan 8.370 nan 0.000 0.493 48 R N 0.924 121.344 120.500 -0.134 0.000 2.584 48 R HA 0.401 4.742 4.340 0.000 0.000 0.276 48 R C -1.425 174.790 176.300 -0.142 0.000 1.046 48 R CA -0.524 55.487 56.100 -0.148 0.000 0.906 48 R CB 1.650 31.787 30.300 -0.272 0.000 1.215 48 R HN -0.051 nan 8.270 nan 0.000 0.449 49 I N -0.267 120.260 120.570 -0.072 0.000 2.493 49 I HA 0.523 4.693 4.170 0.000 0.000 0.298 49 I C -0.442 175.685 176.117 0.017 0.000 0.998 49 I CA -0.801 60.474 61.300 -0.041 0.000 1.137 49 I CB 1.977 39.974 38.000 -0.006 0.000 1.310 49 I HN 0.577 nan 8.210 nan 0.000 0.445 50 E N 5.998 126.216 120.200 0.029 0.000 2.174 50 E HA 0.349 4.699 4.350 0.000 0.000 0.282 50 E C -1.401 175.267 176.600 0.112 0.000 0.992 50 E CA -0.781 55.694 56.400 0.124 0.000 0.803 50 E CB 1.859 31.656 29.700 0.161 0.000 1.090 50 E HN 0.684 nan 8.360 nan 0.000 0.396 51 L N 5.761 127.062 121.223 0.131 0.000 2.283 51 L HA 0.288 4.628 4.340 0.000 0.000 0.287 51 L C -1.059 175.864 176.870 0.088 0.000 1.073 51 L CA -0.496 54.398 54.840 0.091 0.000 0.822 51 L CB 0.270 42.379 42.059 0.082 0.000 1.186 51 L HN 0.700 nan 8.230 nan 0.000 0.436 52 c N 2.472 121.114 118.600 0.070 0.000 2.396 52 c HA 0.501 5.071 4.570 0.000 0.000 0.321 52 c C 0.524 174.638 174.090 0.041 0.000 1.233 52 c CA -0.901 55.467 56.329 0.065 0.000 1.440 52 c CB 1.082 43.637 42.510 0.076 0.000 2.110 52 c HN 0.787 nan 8.230 nan 0.000 0.473 53 S N 1.394 117.113 115.700 0.033 0.000 2.693 53 S HA 0.635 5.106 4.470 0.000 0.000 0.276 53 S C 1.020 175.630 174.600 0.018 0.000 1.192 53 S CA 0.852 59.063 58.200 0.018 0.000 0.994 53 S CB 0.697 63.902 63.200 0.009 0.000 1.012 53 S HN 2.277 nan 8.310 nan 0.000 0.550 54 G N 2.167 110.973 108.800 0.009 0.000 2.412 54 G HA2 -0.215 3.745 3.960 0.000 0.000 0.297 54 G HA3 -0.215 3.745 3.960 0.000 0.000 0.297 54 G C 0.581 175.488 174.900 0.012 0.000 0.965 54 G CA 0.701 45.805 45.100 0.007 0.000 1.134 54 G HN 0.758 nan 8.290 nan 0.000 0.511 55 L N 0.445 121.678 121.223 0.017 0.000 2.189 55 L HA -0.223 4.118 4.340 0.000 0.000 0.214 55 L C 3.138 180.019 176.870 0.019 0.000 1.097 55 L CA 2.185 57.040 54.840 0.024 0.000 0.764 55 L CB -0.385 41.691 42.059 0.028 0.000 0.900 55 L HN 0.726 nan 8.230 nan 0.000 0.436 56 S N -0.418 115.289 115.700 0.011 0.000 2.387 56 S HA -0.260 4.211 4.470 0.000 0.000 0.230 56 S C 1.374 175.977 174.600 0.005 0.000 1.035 56 S CA 1.574 59.778 58.200 0.007 0.000 1.014 56 S CB -0.400 62.800 63.200 0.000 0.000 0.836 56 S HN 0.578 nan 8.310 nan 0.000 0.466 57 E N 0.714 120.916 120.200 0.002 0.000 2.423 57 E HA 0.440 4.790 4.350 0.000 0.000 0.198 57 E C 1.028 177.627 176.600 -0.002 0.000 1.038 57 E CA 0.124 56.521 56.400 -0.004 0.000 1.011 57 E CB 0.091 29.785 29.700 -0.010 0.000 1.118 57 E HN 0.648 nan 8.360 nan 0.000 0.451 58 G N 0.679 109.483 108.800 0.008 0.000 2.199 58 G HA2 -0.229 3.731 3.960 0.000 0.000 0.254 58 G HA3 -0.229 3.731 3.960 0.000 0.000 0.254 58 G C 0.566 175.466 174.900 0.001 0.000 0.982 58 G CA -0.168 44.937 45.100 0.008 0.000 0.632 58 G HN 0.905 nan 8.290 nan 0.000 0.529 59 G N -1.528 107.278 108.800 0.011 0.000 3.367 59 G HA2 0.559 4.519 3.960 0.000 0.000 0.686 59 G HA3 0.559 4.519 3.960 0.000 0.000 0.686 59 G C -0.138 174.779 174.900 0.028 0.000 1.146 59 G CA 0.592 45.705 45.100 0.021 0.000 0.913 59 G HN 2.355 nan 8.290 nan 0.000 0.554 60 T N -1.211 113.364 114.554 0.034 0.000 2.858 60 T HA 0.796 5.146 4.350 0.000 0.000 0.285 60 T C 0.432 175.155 174.700 0.038 0.000 1.052 60 T CA -0.083 62.040 62.100 0.039 0.000 1.009 60 T CB 1.713 70.594 68.868 0.022 0.000 1.241 60 T HN 1.071 nan 8.240 nan 0.000 0.542 61 T N 4.101 118.673 114.554 0.029 0.000 2.765 61 T HA 0.301 4.651 4.350 0.000 0.000 0.284 61 T C -1.958 172.745 174.700 0.005 0.000 0.946 61 T CA -0.473 61.639 62.100 0.021 0.000 1.185 61 T CB -0.180 68.688 68.868 -0.000 0.000 0.887 61 T HN 0.531 nan 8.240 nan 0.000 0.532 62 P HA 0.204 nan 4.420 nan 0.000 0.274 62 P C -0.076 177.206 177.300 -0.030 0.000 1.256 62 P CA -0.636 62.462 63.100 -0.003 0.000 0.795 62 P CB 0.630 32.336 31.700 0.010 0.000 1.038 63 S N 0.888 116.562 115.700 -0.042 0.000 2.580 63 S HA 0.128 4.598 4.470 0.000 0.000 0.274 63 S C 1.544 176.077 174.600 -0.111 0.000 1.329 63 S CA -0.592 57.563 58.200 -0.074 0.000 1.036 63 S CB 0.105 63.268 63.200 -0.062 0.000 0.919 63 S HN 0.219 nan 8.310 nan 0.000 0.515 64 M N 3.347 122.828 119.600 -0.199 0.000 2.213 64 M HA 0.003 4.483 4.480 0.000 0.000 0.263 64 M C 2.361 178.517 176.300 -0.241 0.000 1.062 64 M CA 1.723 56.819 55.300 -0.341 0.000 1.105 64 M CB -2.341 29.817 32.600 -0.738 0.000 1.385 64 M HN 0.968 nan 8.290 nan 0.000 0.417 65 G N 0.218 108.920 108.800 -0.164 0.000 2.469 65 G HA2 -0.133 3.827 3.960 0.000 0.000 0.220 65 G HA3 -0.133 3.827 3.960 0.000 0.000 0.220 65 G C 1.638 176.511 174.900 -0.045 0.000 1.136 65 G CA 1.317 46.367 45.100 -0.083 0.000 0.759 65 G HN 0.388 nan 8.290 nan 0.000 0.562 66 V N 0.794 120.682 119.914 -0.043 0.000 2.270 66 V HA -0.120 4.000 4.120 0.000 0.000 0.245 66 V C 2.681 178.773 176.094 -0.005 0.000 1.043 66 V CA 1.502 63.791 62.300 -0.017 0.000 1.014 66 V CB -0.808 31.008 31.823 -0.011 0.000 0.645 66 V HN 0.359 nan 8.190 nan 0.000 0.447 67 L N -0.433 120.783 121.223 -0.012 0.000 1.991 67 L HA -0.358 3.982 4.340 0.000 0.000 0.221 67 L C 2.900 179.792 176.870 0.037 0.000 1.079 67 L CA 2.184 57.035 54.840 0.018 0.000 0.778 67 L CB -0.403 41.665 42.059 0.015 0.000 0.893 67 L HN 0.439 nan 8.230 nan 0.000 0.437 68 Q N -1.077 118.744 119.800 0.036 0.000 1.985 68 Q HA -0.257 4.083 4.340 0.000 0.000 0.207 68 Q C 2.095 178.121 176.000 0.044 0.000 0.996 68 Q CA 2.410 58.252 55.803 0.065 0.000 0.851 68 Q CB -0.385 28.399 28.738 0.076 0.000 0.921 68 Q HN 0.460 nan 8.270 nan 0.000 0.418 69 V N 0.349 120.279 119.914 0.027 0.000 2.332 69 V HA -0.251 3.870 4.120 0.000 0.000 0.248 69 V C 2.329 178.437 176.094 0.024 0.000 1.055 69 V CA 1.545 63.858 62.300 0.022 0.000 1.038 69 V CB -0.649 31.182 31.823 0.013 0.000 0.651 69 V HN 0.193 nan 8.190 nan 0.000 0.450 70 V N -0.489 119.440 119.914 0.024 0.000 2.255 70 V HA -0.254 3.866 4.120 0.000 0.000 0.247 70 V C 2.613 178.727 176.094 0.033 0.000 1.051 70 V CA 1.979 64.295 62.300 0.027 0.000 1.018 70 V CB -0.664 31.177 31.823 0.029 0.000 0.641 70 V HN 0.437 nan 8.190 nan 0.000 0.445 71 K N -0.191 120.234 120.400 0.041 0.000 2.211 71 K HA -0.186 4.134 4.320 0.000 0.000 0.204 71 K C 2.088 178.710 176.600 0.037 0.000 1.047 71 K CA 1.506 57.820 56.287 0.045 0.000 0.935 71 K CB -0.180 32.354 32.500 0.056 0.000 0.728 71 K HN 0.599 nan 8.250 nan 0.000 0.452 72 Q N -0.810 119.011 119.800 0.033 0.000 2.424 72 Q HA -0.016 4.325 4.340 0.000 0.000 0.204 72 Q C 1.532 177.546 176.000 0.022 0.000 0.933 72 Q CA 1.052 56.871 55.803 0.027 0.000 0.929 72 Q CB 0.398 29.152 28.738 0.027 0.000 1.037 72 Q HN 0.265 nan 8.270 nan 0.000 0.511 73 S N -1.782 113.931 115.700 0.022 0.000 2.540 73 S HA 0.242 4.712 4.470 0.000 0.000 0.222 73 S C 0.384 174.995 174.600 0.017 0.000 1.008 73 S CA -0.503 57.708 58.200 0.018 0.000 0.939 73 S CB 0.780 63.989 63.200 0.016 0.000 0.865 73 S HN -0.022 nan 8.310 nan 0.000 0.499 74 V N 1.327 121.254 119.914 0.021 0.000 2.962 74 V HA 0.435 4.555 4.120 0.000 0.000 0.313 74 V C -0.035 176.073 176.094 0.023 0.000 1.099 74 V CA -0.623 61.689 62.300 0.020 0.000 0.971 74 V CB 2.305 34.140 31.823 0.020 0.000 1.028 74 V HN 0.292 nan 8.190 nan 0.000 0.430 75 Q N 2.052 121.864 119.800 0.020 0.000 2.394 75 Q HA 0.321 4.661 4.340 0.000 0.000 0.218 75 Q C 0.808 176.824 176.000 0.026 0.000 0.907 75 Q CA 0.201 56.017 55.803 0.022 0.000 0.919 75 Q CB 0.572 29.320 28.738 0.017 0.000 1.051 75 Q HN 0.811 nan 8.270 nan 0.000 0.538 76 I N 0.854 121.437 120.570 0.022 0.000 2.813 76 I HA 0.170 4.340 4.170 0.000 0.000 0.287 76 I C -2.233 173.913 176.117 0.048 0.000 1.196 76 I CA -2.110 59.203 61.300 0.023 0.000 1.421 76 I CB -0.022 37.980 38.000 0.003 0.000 1.365 76 I HN -0.164 nan 8.210 nan 0.000 0.591 77 P HA 0.002 nan 4.420 nan 0.000 0.265 77 P C -0.643 176.764 177.300 0.178 0.000 1.187 77 P CA -0.027 63.159 63.100 0.143 0.000 0.766 77 P CB 0.680 32.500 31.700 0.201 0.000 0.820 78 V N 4.488 124.539 119.914 0.229 0.000 2.349 78 V HA 0.278 4.398 4.120 0.000 0.000 0.284 78 V C -0.113 176.178 176.094 0.328 0.000 1.014 78 V CA -0.363 62.068 62.300 0.219 0.000 0.826 78 V CB 0.325 32.222 31.823 0.123 0.000 1.009 78 V HN 0.312 nan 8.190 nan 0.000 0.431 79 F N 3.628 123.603 119.950 0.041 0.000 2.399 79 F HA 0.601 5.128 4.527 0.000 0.000 0.334 79 F C 0.285 176.125 175.800 0.067 0.000 1.097 79 F CA -0.802 57.233 58.000 0.057 0.000 1.076 79 F CB 1.899 40.936 39.000 0.061 0.000 1.162 79 F HN 0.157 nan 8.300 nan 0.000 0.495 80 V N 5.156 125.168 119.914 0.164 0.000 2.459 80 V HA 0.279 4.399 4.120 0.000 0.000 0.295 80 V C -0.034 176.152 176.094 0.153 0.000 1.029 80 V CA -0.921 61.456 62.300 0.128 0.000 0.874 80 V CB 1.577 33.442 31.823 0.071 0.000 0.985 80 V HN 0.675 nan 8.190 nan 0.000 0.438 81 M N 6.155 125.843 119.600 0.147 0.000 2.217 81 M HA 0.425 4.905 4.480 0.000 0.000 0.352 81 M C -0.908 175.479 176.300 0.143 0.000 1.376 81 M CA 0.424 55.823 55.300 0.164 0.000 1.107 81 M CB 0.167 32.845 32.600 0.130 0.000 1.723 81 M HN 0.473 nan 8.290 nan 0.000 0.461 82 I N 6.019 126.708 120.570 0.197 0.000 2.428 82 I HA 0.468 4.638 4.170 0.000 0.000 0.279 82 I C -0.558 175.648 176.117 0.148 0.000 1.040 82 I CA 0.163 61.542 61.300 0.132 0.000 1.171 82 I CB 0.547 38.605 38.000 0.097 0.000 1.312 82 I HN 0.650 nan 8.210 nan 0.000 0.470 83 R N 7.680 128.226 120.500 0.077 0.000 2.585 83 R HA 0.366 4.706 4.340 0.000 0.000 0.288 83 R C -2.439 173.857 176.300 -0.006 0.000 1.194 83 R CA -1.049 55.102 56.100 0.084 0.000 1.006 83 R CB 2.160 32.585 30.300 0.209 0.000 1.229 83 R HN 0.131 nan 8.270 nan 0.000 0.412 84 P HA 0.003 nan 4.420 nan 0.000 0.249 84 P C -0.716 176.576 177.300 -0.012 0.000 1.229 84 P CA 0.461 63.512 63.100 -0.083 0.000 0.788 84 P CB 0.310 31.914 31.700 -0.160 0.000 1.072 85 R N -3.070 117.453 120.500 0.037 0.000 2.764 85 R HA 0.647 4.987 4.340 0.000 0.000 0.276 85 R C -0.426 175.896 176.300 0.036 0.000 1.021 85 R CA -0.887 55.236 56.100 0.038 0.000 0.870 85 R CB -0.145 30.183 30.300 0.047 0.000 1.293 85 R HN -0.160 nan 8.270 nan 0.000 0.469 86 G N -1.061 107.734 108.800 -0.008 0.000 2.532 86 G HA2 0.582 4.542 3.960 0.000 0.000 0.291 86 G HA3 0.582 4.542 3.960 0.000 0.000 0.291 86 G C 0.334 175.158 174.900 -0.127 0.000 1.349 86 G CA -0.322 44.745 45.100 -0.055 0.000 1.038 86 G HN 1.167 nan 8.290 nan 0.000 0.518 87 G N -0.310 108.375 108.800 -0.192 0.000 2.525 87 G HA2 -0.146 3.815 3.960 0.000 0.000 0.248 87 G HA3 -0.146 3.815 3.960 0.000 0.000 0.248 87 G C 0.236 174.809 174.900 -0.546 0.000 1.238 87 G CA 0.402 45.348 45.100 -0.258 0.000 0.926 87 G HN 1.270 nan 8.290 nan 0.000 0.574 88 D N 0.170 120.296 120.400 -0.457 0.000 2.369 88 D HA 0.332 4.972 4.640 0.000 0.000 0.241 88 D C 0.436 176.242 176.300 -0.823 0.000 1.271 88 D CA 0.226 53.882 54.000 -0.574 0.000 0.942 88 D CB 0.435 41.084 40.800 -0.252 0.000 1.129 88 D HN 0.328 nan 8.370 nan 0.000 0.476 89 F N -0.845 118.948 119.950 -0.262 0.000 2.772 89 F HA 0.261 4.788 4.527 0.000 0.000 0.302 89 F C 0.488 175.849 175.800 -0.733 0.000 1.136 89 F CA -0.681 56.962 58.000 -0.596 0.000 1.322 89 F CB 0.209 39.065 39.000 -0.241 0.000 0.967 89 F HN 0.028 nan 8.300 nan 0.000 0.513 90 L N 1.894 122.878 121.223 -0.397 0.000 2.302 90 L HA 0.307 4.647 4.340 0.000 0.000 0.285 90 L C -0.975 175.795 176.870 -0.167 0.000 1.090 90 L CA -0.322 54.387 54.840 -0.219 0.000 0.866 90 L CB 0.006 42.012 42.059 -0.090 0.000 1.244 90 L HN 0.190 nan 8.230 nan 0.000 0.435 91 Y N 2.589 122.939 120.300 0.084 0.000 2.341 91 Y HA 0.238 4.788 4.550 0.000 0.000 0.340 91 Y C 1.089 177.014 175.900 0.042 0.000 0.997 91 Y CA -0.799 57.337 58.100 0.060 0.000 1.149 91 Y CB 1.385 39.890 38.460 0.075 0.000 1.171 91 Y HN 0.504 nan 8.280 nan 0.000 0.494 92 S N 1.947 117.766 115.700 0.198 0.000 2.608 92 S HA -0.053 4.417 4.470 0.000 0.000 0.261 92 S C 0.853 175.505 174.600 0.088 0.000 1.314 92 S CA -0.669 57.596 58.200 0.109 0.000 0.992 92 S CB 0.524 63.770 63.200 0.076 0.000 0.935 92 S HN 0.704 nan 8.310 nan 0.000 0.564 93 D N 1.086 121.520 120.400 0.056 0.000 2.178 93 D HA -0.092 4.548 4.640 0.000 0.000 0.201 93 D C 1.909 178.221 176.300 0.021 0.000 0.980 93 D CA 1.052 55.074 54.000 0.037 0.000 0.842 93 D CB -0.016 40.801 40.800 0.028 0.000 0.948 93 D HN 0.415 nan 8.370 nan 0.000 0.472 94 R N 1.149 121.662 120.500 0.022 0.000 2.070 94 R HA -0.103 4.237 4.340 0.000 0.000 0.233 94 R C 2.309 178.606 176.300 -0.004 0.000 1.137 94 R CA 1.111 57.216 56.100 0.009 0.000 0.945 94 R CB -0.277 30.031 30.300 0.013 0.000 0.845 94 R HN 0.293 nan 8.270 nan 0.000 0.430 95 E N 0.607 120.812 120.200 0.008 0.000 2.106 95 E HA -0.148 4.202 4.350 0.000 0.000 0.192 95 E C 2.087 178.630 176.600 -0.095 0.000 0.984 95 E CA 1.021 57.401 56.400 -0.033 0.000 0.806 95 E CB -0.161 29.554 29.700 0.025 0.000 0.750 95 E HN 0.324 nan 8.360 nan 0.000 0.458 96 I N 1.515 122.059 120.570 -0.044 0.000 2.226 96 I HA -0.276 3.895 4.170 0.000 0.000 0.245 96 I C 2.273 178.347 176.117 -0.073 0.000 1.100 96 I CA 1.302 62.565 61.300 -0.063 0.000 1.374 96 I CB -0.230 37.773 38.000 0.005 0.000 1.057 96 I HN 0.090 nan 8.210 nan 0.000 0.413 97 E N 0.185 120.359 120.200 -0.044 0.000 2.097 97 E HA -0.218 4.132 4.350 0.000 0.000 0.196 97 E C 2.294 178.861 176.600 -0.055 0.000 1.000 97 E CA 1.552 57.928 56.400 -0.041 0.000 0.804 97 E CB -0.098 29.587 29.700 -0.024 0.000 0.740 97 E HN 0.313 nan 8.360 nan 0.000 0.454 98 V N 1.045 120.920 119.914 -0.065 0.000 2.295 98 V HA -0.309 3.812 4.120 0.000 0.000 0.246 98 V C 2.277 178.312 176.094 -0.098 0.000 1.049 98 V CA 1.834 64.090 62.300 -0.073 0.000 1.024 98 V CB -0.411 31.367 31.823 -0.076 0.000 0.648 98 V HN 0.320 nan 8.190 nan 0.000 0.447 99 M N -0.537 118.976 119.600 -0.146 0.000 2.080 99 M HA -0.241 4.239 4.480 0.000 0.000 0.260 99 M C 2.291 178.500 176.300 -0.151 0.000 1.068 99 M CA 2.011 57.203 55.300 -0.181 0.000 1.109 99 M CB -0.580 31.855 32.600 -0.274 0.000 1.342 99 M HN 0.240 nan 8.290 nan 0.000 0.405 100 K N 0.262 120.584 120.400 -0.131 0.000 2.063 100 K HA -0.131 4.190 4.320 0.000 0.000 0.208 100 K C 2.107 178.666 176.600 -0.067 0.000 1.048 100 K CA 1.581 57.806 56.287 -0.103 0.000 0.928 100 K CB -0.379 32.075 32.500 -0.078 0.000 0.713 100 K HN 0.335 nan 8.250 nan 0.000 0.442 101 A N 1.798 124.585 122.820 -0.054 0.000 1.930 101 A HA -0.177 4.143 4.320 0.000 0.000 0.217 101 A C 1.719 179.291 177.584 -0.020 0.000 1.175 101 A CA 1.626 53.645 52.037 -0.029 0.000 0.627 101 A CB -0.269 18.717 19.000 -0.024 0.000 0.815 101 A HN 0.162 nan 8.150 nan 0.000 0.443 102 D N 0.062 120.439 120.400 -0.039 0.000 2.144 102 D HA -0.079 4.561 4.640 0.000 0.000 0.200 102 D C 1.906 178.198 176.300 -0.014 0.000 0.978 102 D CA 1.068 55.052 54.000 -0.028 0.000 0.833 102 D CB -0.238 40.536 40.800 -0.043 0.000 0.961 102 D HN 0.535 nan 8.370 nan 0.000 0.470 103 I N 0.986 121.533 120.570 -0.039 0.000 2.099 103 I HA -0.287 3.883 4.170 0.000 0.000 0.239 103 I C 2.609 178.725 176.117 -0.002 0.000 1.066 103 I CA 1.186 62.469 61.300 -0.028 0.000 1.324 103 I CB -0.277 37.681 38.000 -0.070 0.000 1.037 103 I HN -0.106 nan 8.210 nan 0.000 0.401 104 R N 0.781 121.277 120.500 -0.006 0.000 2.094 104 R HA -0.175 4.166 4.340 0.000 0.000 0.239 104 R C 2.389 178.719 176.300 0.049 0.000 1.137 104 R CA 1.565 57.670 56.100 0.008 0.000 0.943 104 R CB -0.734 29.566 30.300 -0.000 0.000 0.850 104 R HN 0.342 nan 8.270 nan 0.000 0.433 105 L N 0.248 121.523 121.223 0.087 0.000 2.046 105 L HA -0.164 4.176 4.340 0.000 0.000 0.208 105 L C 2.766 179.818 176.870 0.304 0.000 1.077 105 L CA 1.257 56.228 54.840 0.218 0.000 0.747 105 L CB -0.629 41.532 42.059 0.171 0.000 0.896 105 L HN 0.274 nan 8.230 nan 0.000 0.432 106 A N 0.019 122.926 122.820 0.144 0.000 1.940 106 A HA -0.231 4.090 4.320 0.000 0.000 0.219 106 A C 2.341 179.997 177.584 0.119 0.000 1.176 106 A CA 1.741 53.850 52.037 0.121 0.000 0.631 106 A CB -0.351 18.680 19.000 0.053 0.000 0.814 106 A HN 0.335 nan 8.150 nan 0.000 0.446 107 K N -0.262 120.179 120.400 0.068 0.000 2.002 107 K HA -0.055 4.265 4.320 0.000 0.000 0.209 107 K C 1.792 178.399 176.600 0.011 0.000 1.048 107 K CA 1.509 57.810 56.287 0.022 0.000 0.930 107 K CB -0.483 32.013 32.500 -0.006 0.000 0.714 107 K HN 0.513 nan 8.250 nan 0.000 0.438 108 L N -0.170 121.046 121.223 -0.010 0.000 2.261 108 L HA -0.191 4.149 4.340 0.000 0.000 0.216 108 L C 1.539 178.219 176.870 -0.316 0.000 1.114 108 L CA 1.299 56.029 54.840 -0.182 0.000 0.777 108 L CB -0.517 41.367 42.059 -0.291 0.000 0.910 108 L HN 0.228 nan 8.230 nan 0.000 0.440 109 Y N -0.479 119.816 120.300 -0.009 0.000 2.458 109 Y HA 0.320 4.870 4.550 0.000 0.000 0.256 109 Y C 1.581 177.480 175.900 -0.001 0.000 1.159 109 Y CA 0.337 58.434 58.100 -0.004 0.000 1.261 109 Y CB 0.785 39.245 38.460 -0.002 0.000 1.119 109 Y HN 0.185 nan 8.280 nan 0.000 0.524 110 G N -0.083 108.777 108.800 0.099 0.000 2.147 110 G HA2 -0.025 3.935 3.960 0.000 0.000 0.128 110 G HA3 -0.025 3.935 3.960 0.000 0.000 0.128 110 G C -0.053 174.878 174.900 0.052 0.000 1.026 110 G CA -0.447 44.688 45.100 0.058 0.000 0.693 110 G HN 0.467 nan 8.290 nan 0.000 0.499 111 A N 0.382 123.230 122.820 0.046 0.000 2.492 111 A HA 0.532 4.852 4.320 0.000 0.000 0.254 111 A C 1.082 178.645 177.584 -0.035 0.000 1.091 111 A CA 0.613 52.658 52.037 0.013 0.000 0.768 111 A CB 0.274 19.273 19.000 -0.001 0.000 1.028 111 A HN 0.238 nan 8.150 nan 0.000 0.498 112 D N 1.725 122.108 120.400 -0.029 0.000 2.355 112 D HA 0.216 4.856 4.640 0.000 0.000 0.218 112 D C 0.828 176.951 176.300 -0.295 0.000 1.004 112 D CA 1.531 55.504 54.000 -0.046 0.000 0.880 112 D CB 0.475 41.332 40.800 0.096 0.000 0.911 112 D HN 0.779 nan 8.370 nan 0.000 0.528 113 G N -0.108 108.340 108.800 -0.587 0.000 2.368 113 G HA2 0.488 4.448 3.960 0.000 0.000 0.293 113 G HA3 0.488 4.448 3.960 0.000 0.000 0.293 113 G C -1.920 172.507 174.900 -0.789 0.000 1.467 113 G CA -0.818 43.569 45.100 -1.189 0.000 0.804 113 G HN 0.028 nan 8.290 nan 0.000 0.535 114 L N -0.680 120.243 121.223 -0.500 0.000 2.393 114 L HA 0.856 5.196 4.340 0.000 0.000 0.260 114 L C -0.548 176.390 176.870 0.114 0.000 1.002 114 L CA -1.249 53.549 54.840 -0.069 0.000 0.818 114 L CB 2.526 44.613 42.059 0.047 0.000 1.369 114 L HN 0.414 nan 8.230 nan 0.000 0.412 115 V N 1.830 121.886 119.914 0.237 0.000 2.638 115 V HA 0.684 4.804 4.120 0.000 0.000 0.306 115 V C -0.834 175.441 176.094 0.301 0.000 1.052 115 V CA -0.501 61.935 62.300 0.227 0.000 0.885 115 V CB 1.600 33.578 31.823 0.259 0.000 0.999 115 V HN 0.693 nan 8.190 nan 0.000 0.424 116 F N 1.453 121.414 119.950 0.019 0.000 2.985 116 F HA 1.029 5.557 4.527 0.000 0.000 0.322 116 F C -0.143 175.149 175.800 -0.846 0.000 1.187 116 F CA -0.704 57.212 58.000 -0.139 0.000 0.910 116 F CB 1.651 40.660 39.000 0.014 0.000 1.411 116 F HN 0.790 nan 8.300 nan 0.000 0.492 117 G N -0.046 108.341 108.800 -0.688 0.000 2.732 117 G HA2 0.809 4.769 3.960 0.000 0.000 0.296 117 G HA3 0.809 4.769 3.960 0.000 0.000 0.296 117 G C -2.408 172.384 174.900 -0.181 0.000 1.448 117 G CA -0.389 43.876 45.100 -1.393 0.000 0.911 117 G HN 1.602 nan 8.290 nan 0.000 0.528 118 A N 0.868 123.693 122.820 0.008 0.000 2.547 118 A HA 0.864 5.184 4.320 0.000 0.000 0.297 118 A C -1.380 176.345 177.584 0.235 0.000 1.056 118 A CA -0.499 51.700 52.037 0.270 0.000 0.688 118 A CB 1.319 20.581 19.000 0.436 0.000 1.282 118 A HN 0.943 nan 8.150 nan 0.000 0.400 119 L N 1.052 122.365 121.223 0.150 0.000 2.393 119 L HA 0.608 4.948 4.340 0.000 0.000 0.260 119 L C 0.022 176.939 176.870 0.079 0.000 1.002 119 L CA -0.772 54.143 54.840 0.124 0.000 0.818 119 L CB 2.744 44.878 42.059 0.125 0.000 1.369 119 L HN 0.783 nan 8.230 nan 0.000 0.412 120 T N -0.685 113.912 114.554 0.070 0.000 2.899 120 T HA 0.040 4.390 4.350 0.000 0.000 0.284 120 T C 1.017 175.717 174.700 -0.000 0.000 1.004 120 T CA -0.416 61.712 62.100 0.047 0.000 1.043 120 T CB 1.605 70.519 68.868 0.077 0.000 1.013 120 T HN 0.740 nan 8.240 nan 0.000 0.518 121 E N 0.641 120.835 120.200 -0.009 0.000 2.233 121 E HA -0.241 4.109 4.350 0.000 0.000 0.199 121 E C 0.683 177.229 176.600 -0.089 0.000 1.004 121 E CA 1.404 57.782 56.400 -0.036 0.000 0.819 121 E CB 0.057 29.742 29.700 -0.025 0.000 0.738 121 E HN 0.515 nan 8.360 nan 0.000 0.478 122 D N -1.022 119.305 120.400 -0.122 0.000 2.340 122 D HA 0.042 4.683 4.640 0.000 0.000 0.220 122 D C 1.040 177.007 176.300 -0.555 0.000 1.039 122 D CA 0.856 54.690 54.000 -0.277 0.000 0.866 122 D CB 0.521 41.232 40.800 -0.147 0.000 0.913 122 D HN 0.394 nan 8.370 nan 0.000 0.523 123 G N 1.503 110.115 108.800 -0.313 0.000 2.147 123 G HA2 -0.226 3.734 3.960 0.000 0.000 0.244 123 G HA3 -0.226 3.734 3.960 0.000 0.000 0.244 123 G C 0.150 174.888 174.900 -0.270 0.000 1.005 123 G CA 0.004 44.982 45.100 -0.203 0.000 0.713 123 G HN 0.389 nan 8.290 nan 0.000 0.515 124 H N -0.783 118.288 119.070 0.002 0.000 2.651 124 H HA 0.574 5.130 4.556 0.000 0.000 0.353 124 H C 1.219 176.545 175.328 -0.003 0.000 1.178 124 H CA -0.880 55.155 56.048 -0.021 0.000 1.224 124 H CB 1.013 30.763 29.762 -0.019 0.000 1.702 124 H HN 0.177 nan 8.280 nan 0.000 0.550 125 I N 0.730 121.366 120.570 0.110 0.000 2.882 125 I HA -0.077 4.093 4.170 0.000 0.000 0.286 125 I C 0.865 177.059 176.117 0.128 0.000 1.139 125 I CA 0.257 61.604 61.300 0.078 0.000 1.379 125 I CB 0.376 38.349 38.000 -0.044 0.000 1.410 125 I HN 0.404 nan 8.210 nan 0.000 0.594 126 D N 4.871 125.378 120.400 0.178 0.000 2.524 126 D HA 0.091 4.731 4.640 0.000 0.000 0.222 126 D C 0.937 177.355 176.300 0.198 0.000 1.142 126 D CA -0.147 53.961 54.000 0.181 0.000 0.973 126 D CB 0.621 41.543 40.800 0.204 0.000 1.025 126 D HN 0.434 nan 8.370 nan 0.000 0.519 127 K N 1.184 121.672 120.400 0.148 0.000 2.044 127 K HA -0.215 4.105 4.320 0.000 0.000 0.210 127 K C 1.561 178.246 176.600 0.142 0.000 1.049 127 K CA 1.416 57.788 56.287 0.142 0.000 0.927 127 K CB 0.295 32.849 32.500 0.090 0.000 0.713 127 K HN 0.423 nan 8.250 nan 0.000 0.443 128 E N 0.867 121.137 120.200 0.117 0.000 2.051 128 E HA -0.196 4.154 4.350 0.000 0.000 0.192 128 E C 2.115 178.782 176.600 0.111 0.000 0.991 128 E CA 1.053 57.511 56.400 0.096 0.000 0.799 128 E CB -0.132 29.615 29.700 0.078 0.000 0.748 128 E HN 0.225 nan 8.360 nan 0.000 0.449 129 L N 0.487 121.797 121.223 0.145 0.000 2.056 129 L HA -0.173 4.167 4.340 0.000 0.000 0.207 129 L C 2.253 179.243 176.870 0.200 0.000 1.078 129 L CA 1.024 55.954 54.840 0.152 0.000 0.749 129 L CB -0.102 42.074 42.059 0.195 0.000 0.901 129 L HN 0.306 nan 8.230 nan 0.000 0.433 130 C N -0.443 119.053 119.300 0.325 0.000 2.429 130 C HA -0.195 4.265 4.460 0.000 0.000 0.277 130 C C 2.710 177.862 174.990 0.269 0.000 1.262 130 C CA 0.953 60.267 59.018 0.494 0.000 1.733 130 C CB -0.651 27.462 27.740 0.621 0.000 2.010 130 C HN 0.554 nan 8.230 nan 0.000 0.483 131 M N 1.363 121.062 119.600 0.164 0.000 2.065 131 M HA -0.174 4.306 4.480 0.000 0.000 0.259 131 M C 2.566 178.894 176.300 0.047 0.000 1.069 131 M CA 2.450 57.798 55.300 0.079 0.000 1.110 131 M CB -0.417 32.222 32.600 0.065 0.000 1.328 131 M HN 0.590 nan 8.290 nan 0.000 0.405 132 S N 0.323 116.049 115.700 0.043 0.000 2.382 132 S HA -0.100 4.371 4.470 0.000 0.000 0.228 132 S C 1.795 176.383 174.600 -0.020 0.000 1.027 132 S CA 1.027 59.231 58.200 0.008 0.000 0.991 132 S CB -0.859 62.344 63.200 0.004 0.000 0.823 132 S HN 0.490 nan 8.310 nan 0.000 0.469 133 L N -0.294 120.907 121.223 -0.036 0.000 2.072 133 L HA 0.088 4.428 4.340 0.000 0.000 0.205 133 L C 2.834 179.693 176.870 -0.017 0.000 1.079 133 L CA 1.358 56.122 54.840 -0.127 0.000 0.752 133 L CB -0.630 41.163 42.059 -0.444 0.000 0.906 133 L HN 0.362 nan 8.230 nan 0.000 0.436 134 M N 0.562 120.205 119.600 0.071 0.000 2.202 134 M HA -0.179 4.302 4.480 0.000 0.000 0.262 134 M C 2.259 178.549 176.300 -0.016 0.000 1.063 134 M CA 1.908 57.220 55.300 0.020 0.000 1.097 134 M CB -0.410 32.136 32.600 -0.090 0.000 1.382 134 M HN 0.228 nan 8.290 nan 0.000 0.413 135 A N 0.096 122.907 122.820 -0.015 0.000 1.845 135 A HA -0.163 4.158 4.320 0.000 0.000 0.215 135 A C 2.107 179.678 177.584 -0.023 0.000 1.195 135 A CA 2.144 54.169 52.037 -0.020 0.000 0.616 135 A CB -1.152 17.839 19.000 -0.016 0.000 0.832 135 A HN 0.571 nan 8.150 nan 0.000 0.443 136 I N -0.435 120.118 120.570 -0.029 0.000 2.567 136 I HA -0.234 3.936 4.170 0.000 0.000 0.257 136 I C 1.235 177.338 176.117 -0.025 0.000 1.184 136 I CA 0.469 61.749 61.300 -0.033 0.000 1.451 136 I CB -0.359 37.610 38.000 -0.051 0.000 1.089 136 I HN 0.271 nan 8.210 nan 0.000 0.441 137 C N 2.450 121.744 119.300 -0.011 0.000 2.399 137 C HA 0.107 4.567 4.460 0.000 0.000 0.348 137 C C 1.323 176.301 174.990 -0.021 0.000 1.318 137 C CA -0.868 58.151 59.018 0.002 0.000 1.621 137 C CB -2.332 25.445 27.740 0.060 0.000 1.683 137 C HN 0.267 nan 8.230 nan 0.000 0.595 138 R N 1.914 122.399 120.500 -0.025 0.000 2.542 138 R HA -0.116 4.225 4.340 0.000 0.000 0.283 138 R C -1.325 174.956 176.300 -0.032 0.000 0.978 138 R CA -0.122 55.962 56.100 -0.028 0.000 1.081 138 R CB -0.730 29.555 30.300 -0.026 0.000 0.891 138 R HN 0.139 nan 8.270 nan 0.000 0.432 139 P HA -0.228 nan 4.420 nan 0.000 0.173 139 P C -0.179 177.100 177.300 -0.036 0.000 1.151 139 P CA 1.355 64.438 63.100 -0.028 0.000 0.878 139 P CB -0.300 31.386 31.700 -0.023 0.000 1.313 140 L N 0.731 121.924 121.223 -0.050 0.000 2.295 140 L HA 0.360 4.700 4.340 0.000 0.000 0.285 140 L C -1.765 175.056 176.870 -0.082 0.000 1.035 140 L CA -2.534 52.255 54.840 -0.084 0.000 0.806 140 L CB 1.389 43.382 42.059 -0.109 0.000 1.214 140 L HN -0.247 nan 8.230 nan 0.000 0.426 141 P HA 0.040 nan 4.420 nan 0.000 0.265 141 P C -0.896 176.369 177.300 -0.058 0.000 1.193 141 P CA -0.016 63.074 63.100 -0.017 0.000 0.765 141 P CB 1.069 32.836 31.700 0.111 0.000 0.823 142 V N 3.368 123.311 119.914 0.048 0.000 2.656 142 V HA 0.366 4.486 4.120 0.000 0.000 0.307 142 V C 0.296 176.524 176.094 0.223 0.000 1.051 142 V CA -0.366 61.986 62.300 0.086 0.000 0.893 142 V CB 2.199 34.021 31.823 -0.002 0.000 0.999 142 V HN 0.504 nan 8.190 nan 0.000 0.426 143 T N 4.484 119.175 114.554 0.229 0.000 2.824 143 T HA 0.510 4.860 4.350 0.000 0.000 0.280 143 T C -0.744 173.968 174.700 0.020 0.000 0.995 143 T CA -0.138 62.075 62.100 0.187 0.000 1.009 143 T CB 1.017 70.003 68.868 0.198 0.000 0.955 143 T HN 0.440 nan 8.240 nan 0.000 0.452 144 F N 5.920 125.728 119.950 -0.238 0.000 2.404 144 F HA 0.305 4.832 4.527 0.000 0.000 0.358 144 F C 1.211 176.821 175.800 -0.317 0.000 1.120 144 F CA -0.610 57.065 58.000 -0.542 0.000 1.144 144 F CB 0.389 38.856 39.000 -0.888 0.000 1.133 144 F HN 0.703 nan 8.300 nan 0.000 0.495 145 H N 4.460 123.215 119.070 -0.525 0.000 2.423 145 H HA 0.388 4.944 4.556 0.000 0.000 0.309 145 H C 0.588 175.749 175.328 -0.278 0.000 1.584 145 H CA -0.882 54.973 56.048 -0.321 0.000 1.504 145 H CB 0.411 30.013 29.762 -0.268 0.000 1.740 145 H HN 0.486 nan 8.280 nan 0.000 0.744 146 R N -0.452 120.116 120.500 0.114 0.000 2.355 146 R HA -0.103 4.238 4.340 0.000 0.000 0.219 146 R C 2.142 178.445 176.300 0.005 0.000 1.107 146 R CA 0.841 56.977 56.100 0.059 0.000 1.021 146 R CB -0.766 29.526 30.300 -0.013 0.000 0.852 146 R HN 0.706 nan 8.270 nan 0.000 0.475 147 A N 1.089 123.788 122.820 -0.201 0.000 1.997 147 A HA -0.248 4.072 4.320 0.000 0.000 0.221 147 A C 1.909 179.420 177.584 -0.123 0.000 1.172 147 A CA 1.375 52.920 52.037 -0.819 0.000 0.645 147 A CB -0.736 17.477 19.000 -1.311 0.000 0.813 147 A HN 0.399 nan 8.150 nan 0.000 0.454 148 F N 1.275 121.262 119.950 0.061 0.000 2.115 148 F HA -0.259 4.268 4.527 0.000 0.000 0.300 148 F C 1.688 177.507 175.800 0.033 0.000 1.092 148 F CA 2.323 60.419 58.000 0.160 0.000 1.245 148 F CB -0.114 38.985 39.000 0.166 0.000 0.995 148 F HN 0.286 nan 8.300 nan 0.000 0.481 149 D N -0.104 120.438 120.400 0.237 0.000 2.350 149 D HA -0.157 4.484 4.640 0.000 0.000 0.216 149 D C 1.875 178.172 176.300 -0.005 0.000 0.968 149 D CA 0.942 55.023 54.000 0.134 0.000 0.894 149 D CB -0.088 40.796 40.800 0.140 0.000 0.909 149 D HN 0.388 nan 8.370 nan 0.000 0.520 150 M N 0.114 119.705 119.600 -0.015 0.000 2.502 150 M HA 0.031 4.511 4.480 0.000 0.000 0.243 150 M C 0.189 176.438 176.300 -0.085 0.000 1.130 150 M CA 0.180 55.474 55.300 -0.009 0.000 1.055 150 M CB 0.800 33.481 32.600 0.134 0.000 1.457 150 M HN -0.341 nan 8.290 nan 0.000 0.488 151 V N 0.753 120.557 119.914 -0.184 0.000 2.843 151 V HA -0.120 4.000 4.120 0.000 0.000 0.305 151 V C 1.341 177.306 176.094 -0.215 0.000 1.065 151 V CA 0.389 62.563 62.300 -0.210 0.000 1.116 151 V CB 0.556 32.097 31.823 -0.469 0.000 0.968 151 V HN 0.406 nan 8.190 nan 0.000 0.487 152 H N 1.601 120.580 119.070 -0.152 0.000 2.595 152 H HA 0.074 4.630 4.556 0.000 0.000 0.265 152 H C 0.049 175.346 175.328 -0.051 0.000 0.953 152 H CA 0.647 56.638 56.048 -0.095 0.000 1.197 152 H CB 0.660 30.363 29.762 -0.098 0.000 1.438 152 H HN 0.841 nan 8.280 nan 0.000 0.531 153 D N 0.488 120.919 120.400 0.052 0.000 2.551 153 D HA 0.101 4.741 4.640 0.000 0.000 0.294 153 D C -1.989 174.262 176.300 -0.083 0.000 1.201 153 D CA -2.200 51.813 54.000 0.021 0.000 0.941 153 D CB 1.074 41.923 40.800 0.082 0.000 0.995 153 D HN 0.050 nan 8.370 nan 0.000 0.502 154 P HA -0.238 nan 4.420 nan 0.000 0.216 154 P C 1.619 178.957 177.300 0.064 0.000 1.153 154 P CA 1.156 64.196 63.100 -0.100 0.000 0.858 154 P CB 0.315 32.029 31.700 0.024 0.000 0.789 155 M N -0.278 119.348 119.600 0.044 0.000 2.084 155 M HA -0.157 4.324 4.480 0.000 0.000 0.259 155 M C 2.440 178.756 176.300 0.028 0.000 1.072 155 M CA 2.378 57.706 55.300 0.046 0.000 1.107 155 M CB -1.227 31.388 32.600 0.025 0.000 1.299 155 M HN -0.102 nan 8.290 nan 0.000 0.413 156 A N 0.344 123.163 122.820 -0.002 0.000 1.917 156 A HA -0.157 4.163 4.320 0.000 0.000 0.219 156 A C 2.336 179.902 177.584 -0.030 0.000 1.182 156 A CA 2.250 54.273 52.037 -0.022 0.000 0.633 156 A CB -1.074 17.901 19.000 -0.041 0.000 0.819 156 A HN 0.581 nan 8.150 nan 0.000 0.448 157 A N -0.693 122.098 122.820 -0.048 0.000 1.930 157 A HA 0.001 4.321 4.320 0.000 0.000 0.217 157 A C 2.175 179.758 177.584 -0.001 0.000 1.175 157 A CA 1.345 53.328 52.037 -0.090 0.000 0.627 157 A CB -0.506 18.333 19.000 -0.269 0.000 0.815 157 A HN 0.516 nan 8.150 nan 0.000 0.443 158 L N -0.613 120.677 121.223 0.111 0.000 2.046 158 L HA -0.208 4.132 4.340 0.000 0.000 0.208 158 L C 2.435 179.308 176.870 0.006 0.000 1.077 158 L CA 2.112 57.001 54.840 0.082 0.000 0.747 158 L CB -0.378 41.730 42.059 0.082 0.000 0.896 158 L HN 0.505 nan 8.230 nan 0.000 0.432 159 E N -1.198 119.006 120.200 0.006 0.000 2.208 159 E HA -0.151 4.199 4.350 0.000 0.000 0.193 159 E C 1.885 178.486 176.600 0.001 0.000 0.988 159 E CA 1.498 57.899 56.400 0.001 0.000 0.828 159 E CB 0.109 29.809 29.700 -0.000 0.000 0.763 159 E HN 0.488 nan 8.360 nan 0.000 0.478 160 T N 1.155 115.700 114.554 -0.015 0.000 2.737 160 T HA -0.095 4.255 4.350 0.000 0.000 0.265 160 T C 1.889 176.606 174.700 0.028 0.000 1.038 160 T CA 0.792 62.887 62.100 -0.008 0.000 1.144 160 T CB -0.155 68.687 68.868 -0.044 0.000 0.866 160 T HN 0.098 nan 8.240 nan 0.000 0.434 161 L N 0.310 121.508 121.223 -0.041 0.000 2.141 161 L HA 0.037 4.377 4.340 0.000 0.000 0.209 161 L C 2.464 179.451 176.870 0.195 0.000 1.094 161 L CA 0.826 55.687 54.840 0.035 0.000 0.763 161 L CB -0.533 41.329 42.059 -0.328 0.000 0.908 161 L HN 0.202 nan 8.230 nan 0.000 0.437 162 L N -0.776 120.489 121.223 0.070 0.000 2.072 162 L HA -0.194 4.146 4.340 0.000 0.000 0.205 162 L C 2.729 179.633 176.870 0.056 0.000 1.079 162 L CA 1.531 56.406 54.840 0.058 0.000 0.752 162 L CB -0.151 41.921 42.059 0.021 0.000 0.906 162 L HN 0.230 nan 8.230 nan 0.000 0.436 163 T N -0.774 113.811 114.554 0.051 0.000 2.857 163 T HA -0.120 4.230 4.350 0.000 0.000 0.266 163 T C 1.698 176.424 174.700 0.043 0.000 1.048 163 T CA 1.127 63.250 62.100 0.038 0.000 1.139 163 T CB -0.128 68.756 68.868 0.028 0.000 0.874 163 T HN 0.300 nan 8.240 nan 0.000 0.455 164 L N 0.051 121.325 121.223 0.085 0.000 2.552 164 L HA 0.287 4.627 4.340 0.000 0.000 0.227 164 L C 1.868 178.676 176.870 -0.102 0.000 1.146 164 L CA 0.602 55.468 54.840 0.043 0.000 0.858 164 L CB -0.177 41.979 42.059 0.162 0.000 0.969 164 L HN 0.561 nan 8.230 nan 0.000 0.451 165 G N -0.783 107.991 108.800 -0.043 0.000 2.148 165 G HA2 -0.252 3.708 3.960 0.000 0.000 0.203 165 G HA3 -0.252 3.708 3.960 0.000 0.000 0.203 165 G C 0.056 174.882 174.900 -0.123 0.000 0.993 165 G CA -0.725 44.319 45.100 -0.093 0.000 0.661 165 G HN 0.124 nan 8.290 nan 0.000 0.518 166 F N 1.513 121.458 119.950 -0.008 0.000 2.543 166 F HA 0.350 4.877 4.527 0.000 0.000 0.375 166 F C 1.674 177.470 175.800 -0.008 0.000 1.075 166 F CA 0.438 58.429 58.000 -0.014 0.000 1.225 166 F CB 0.714 39.694 39.000 -0.033 0.000 1.099 166 F HN 0.160 nan 8.300 nan 0.000 0.561 167 E N 2.138 122.438 120.200 0.165 0.000 2.152 167 E HA -0.018 4.332 4.350 0.000 0.000 0.192 167 E C 0.331 176.990 176.600 0.097 0.000 0.983 167 E CA 0.840 57.306 56.400 0.111 0.000 0.818 167 E CB 0.340 30.105 29.700 0.108 0.000 0.758 167 E HN 0.538 nan 8.360 nan 0.000 0.467 168 R N -0.486 120.089 120.500 0.125 0.000 2.771 168 R HA 0.483 4.824 4.340 0.000 0.000 0.274 168 R C -1.489 174.824 176.300 0.022 0.000 0.987 168 R CA -0.649 55.484 56.100 0.056 0.000 0.908 168 R CB 2.676 33.008 30.300 0.053 0.000 1.213 168 R HN -0.189 nan 8.270 nan 0.000 0.468 169 V N 2.958 122.832 119.914 -0.067 0.000 2.483 169 V HA 0.331 4.451 4.120 0.000 0.000 0.297 169 V C -0.325 175.679 176.094 -0.150 0.000 1.027 169 V CA -0.771 61.444 62.300 -0.141 0.000 0.855 169 V CB 1.826 33.433 31.823 -0.360 0.000 0.995 169 V HN 0.573 nan 8.190 nan 0.000 0.424 170 L N 4.761 125.928 121.223 -0.093 0.000 2.331 170 L HA 0.632 4.972 4.340 0.000 0.000 0.278 170 L C -0.046 176.764 176.870 -0.099 0.000 1.106 170 L CA 0.586 55.370 54.840 -0.095 0.000 0.824 170 L CB 1.365 43.358 42.059 -0.110 0.000 1.142 170 L HN 0.819 nan 8.230 nan 0.000 0.443 171 T N 0.345 114.847 114.554 -0.086 0.000 2.889 171 T HA 0.204 4.554 4.350 0.000 0.000 0.315 171 T C -0.059 174.647 174.700 0.009 0.000 1.291 171 T CA -0.567 61.509 62.100 -0.041 0.000 1.028 171 T CB 1.790 70.566 68.868 -0.153 0.000 1.235 171 T HN 0.556 nan 8.240 nan 0.000 0.491 172 S N -0.299 115.431 115.700 0.049 0.000 2.741 172 S HA 0.512 4.982 4.470 0.000 0.000 0.247 172 S C 1.407 176.040 174.600 0.055 0.000 1.050 172 S CA 0.125 58.354 58.200 0.048 0.000 1.025 172 S CB -0.042 63.186 63.200 0.047 0.000 0.897 172 S HN 1.890 nan 8.310 nan 0.000 0.508 173 G N 0.426 109.268 108.800 0.069 0.000 2.160 173 G HA2 -0.319 3.641 3.960 0.000 0.000 0.251 173 G HA3 -0.319 3.641 3.960 0.000 0.000 0.251 173 G C 0.601 175.549 174.900 0.080 0.000 1.008 173 G CA -0.333 44.812 45.100 0.075 0.000 0.724 173 G HN 1.433 nan 8.290 nan 0.000 0.514 174 C N -0.732 118.629 119.300 0.101 0.000 4.432 174 C HA -0.085 4.375 4.460 0.000 0.000 0.294 174 C C 0.520 175.524 174.990 0.024 0.000 1.398 174 C CA 0.976 60.026 59.018 0.053 0.000 1.988 174 C CB -2.146 25.601 27.740 0.012 0.000 1.251 174 C HN 0.872 nan 8.230 nan 0.000 0.791 175 D N -1.034 119.386 120.400 0.034 0.000 2.592 175 D HA 0.430 5.070 4.640 0.000 0.000 0.263 175 D C 1.064 177.380 176.300 0.027 0.000 1.132 175 D CA 0.410 54.424 54.000 0.023 0.000 0.996 175 D CB 1.692 42.505 40.800 0.020 0.000 1.442 175 D HN 0.230 nan 8.370 nan 0.000 0.486 176 S N -0.203 115.510 115.700 0.021 0.000 2.400 176 S HA -0.071 4.399 4.470 0.000 0.000 0.232 176 S C 0.915 175.531 174.600 0.027 0.000 1.025 176 S CA 1.037 59.251 58.200 0.023 0.000 0.993 176 S CB -0.244 62.966 63.200 0.017 0.000 0.808 176 S HN 0.474 nan 8.310 nan 0.000 0.478 177 S N -1.262 114.453 115.700 0.026 0.000 2.579 177 S HA 0.812 5.282 4.470 0.000 0.000 0.272 177 S C 0.673 175.290 174.600 0.030 0.000 1.141 177 S CA -0.451 57.767 58.200 0.030 0.000 0.843 177 S CB 1.252 64.466 63.200 0.025 0.000 1.122 177 S HN 0.473 nan 8.310 nan 0.000 0.468 178 A N 1.093 123.934 122.820 0.035 0.000 1.986 178 A HA 0.012 4.332 4.320 0.000 0.000 0.220 178 A C 1.879 179.475 177.584 0.019 0.000 1.171 178 A CA 1.422 53.478 52.037 0.032 0.000 0.640 178 A CB -0.923 18.103 19.000 0.043 0.000 0.811 178 A HN 0.857 nan 8.150 nan 0.000 0.451 179 L N -0.913 120.317 121.223 0.013 0.000 2.109 179 L HA -0.106 4.234 4.340 0.000 0.000 0.207 179 L C 2.473 179.347 176.870 0.007 0.000 1.086 179 L CA 1.151 55.993 54.840 0.004 0.000 0.760 179 L CB -0.349 41.709 42.059 -0.002 0.000 0.910 179 L HN 0.393 nan 8.230 nan 0.000 0.437 180 E N -0.194 120.012 120.200 0.011 0.000 2.110 180 E HA -0.143 4.207 4.350 0.000 0.000 0.193 180 E C 1.552 178.160 176.600 0.013 0.000 0.988 180 E CA 1.311 57.718 56.400 0.011 0.000 0.804 180 E CB -0.151 29.556 29.700 0.013 0.000 0.745 180 E HN 0.485 nan 8.360 nan 0.000 0.458 181 G N 0.395 109.206 108.800 0.018 0.000 3.805 181 G HA2 0.173 4.133 3.960 0.000 0.000 0.290 181 G HA3 0.173 4.133 3.960 0.000 0.000 0.290 181 G C 1.227 176.140 174.900 0.021 0.000 1.077 181 G CA -0.403 44.710 45.100 0.022 0.000 0.852 181 G HN 0.082 nan 8.290 nan 0.000 0.531 182 L N 0.988 122.220 121.223 0.014 0.000 1.997 182 L HA -0.088 4.252 4.340 0.000 0.000 0.216 182 L C 0.331 177.209 176.870 0.012 0.000 1.074 182 L CA 1.807 56.653 54.840 0.011 0.000 0.763 182 L CB -0.467 41.595 42.059 0.005 0.000 0.890 182 L HN 0.159 nan 8.230 nan 0.000 0.434 183 P HA -0.254 nan 4.420 nan 0.000 0.215 183 P C 1.783 179.094 177.300 0.017 0.000 1.163 183 P CA 1.486 64.593 63.100 0.013 0.000 0.894 183 P CB -0.183 31.524 31.700 0.011 0.000 0.791 184 L N -0.532 120.705 121.223 0.024 0.000 2.046 184 L HA -0.098 4.242 4.340 0.000 0.000 0.208 184 L C 2.570 179.460 176.870 0.033 0.000 1.077 184 L CA 1.442 56.303 54.840 0.035 0.000 0.747 184 L CB -1.628 40.460 42.059 0.049 0.000 0.896 184 L HN -0.110 nan 8.230 nan 0.000 0.432 185 I N -0.592 119.992 120.570 0.024 0.000 2.286 185 I HA -0.347 3.823 4.170 0.000 0.000 0.248 185 I C 2.545 178.663 176.117 0.002 0.000 1.115 185 I CA 1.337 62.642 61.300 0.007 0.000 1.392 185 I CB -0.302 37.702 38.000 0.007 0.000 1.065 185 I HN 0.271 nan 8.210 nan 0.000 0.418 186 K N 1.211 121.616 120.400 0.009 0.000 1.985 186 K HA -0.185 4.135 4.320 0.000 0.000 0.210 186 K C 2.331 178.935 176.600 0.007 0.000 1.047 186 K CA 1.439 57.731 56.287 0.008 0.000 0.932 186 K CB -0.064 32.442 32.500 0.010 0.000 0.716 186 K HN 0.131 nan 8.250 nan 0.000 0.439 187 R N 0.505 121.012 120.500 0.011 0.000 2.119 187 R HA -0.169 4.171 4.340 0.000 0.000 0.246 187 R C 2.423 178.730 176.300 0.011 0.000 1.146 187 R CA 1.894 58.002 56.100 0.013 0.000 0.962 187 R CB -0.522 29.789 30.300 0.020 0.000 0.863 187 R HN 0.272 nan 8.270 nan 0.000 0.442 188 L N 0.095 121.324 121.223 0.011 0.000 2.093 188 L HA -0.144 4.196 4.340 0.000 0.000 0.208 188 L C 2.406 179.262 176.870 -0.022 0.000 1.085 188 L CA 1.049 55.889 54.840 -0.000 0.000 0.755 188 L CB -0.349 41.703 42.059 -0.013 0.000 0.904 188 L HN 0.184 nan 8.230 nan 0.000 0.435 189 I N -0.017 120.539 120.570 -0.023 0.000 2.179 189 I HA -0.284 3.886 4.170 0.000 0.000 0.242 189 I C 2.429 178.537 176.117 -0.015 0.000 1.088 189 I CA 1.416 62.702 61.300 -0.024 0.000 1.357 189 I CB -0.163 37.828 38.000 -0.016 0.000 1.051 189 I HN 0.255 nan 8.210 nan 0.000 0.409 190 E N -0.053 120.143 120.200 -0.007 0.000 2.153 190 E HA -0.272 4.078 4.350 0.000 0.000 0.194 190 E C 2.106 178.705 176.600 -0.003 0.000 0.988 190 E CA 0.809 57.207 56.400 -0.003 0.000 0.811 190 E CB -0.095 29.606 29.700 0.001 0.000 0.746 190 E HN 0.502 nan 8.360 nan 0.000 0.466 191 Q N 0.360 120.159 119.800 -0.002 0.000 2.096 191 Q HA -0.083 4.257 4.340 0.000 0.000 0.197 191 Q C 2.193 178.190 176.000 -0.004 0.000 0.964 191 Q CA 1.049 56.853 55.803 0.001 0.000 0.838 191 Q CB -0.033 28.710 28.738 0.008 0.000 0.906 191 Q HN 0.231 nan 8.270 nan 0.000 0.444 192 A N 1.293 124.106 122.820 -0.012 0.000 1.978 192 A HA -0.164 4.156 4.320 0.000 0.000 0.220 192 A C 0.872 178.448 177.584 -0.014 0.000 1.170 192 A CA 1.330 53.357 52.037 -0.017 0.000 0.636 192 A CB -0.322 18.659 19.000 -0.032 0.000 0.810 192 A HN 0.492 nan 8.150 nan 0.000 0.448 193 K N -2.265 118.127 120.400 -0.013 0.000 3.071 193 K HA -0.238 4.082 4.320 0.000 0.000 0.262 193 K C 0.746 177.338 176.600 -0.014 0.000 0.977 193 K CA 0.444 56.724 56.287 -0.011 0.000 0.721 193 K CB -2.273 30.223 32.500 -0.007 0.000 1.293 193 K HN 1.644 nan 8.250 nan 0.000 0.475 194 G N -0.130 108.658 108.800 -0.019 0.000 2.147 194 G HA2 -0.356 3.604 3.960 0.000 0.000 0.244 194 G HA3 -0.356 3.604 3.960 0.000 0.000 0.244 194 G C 0.635 175.525 174.900 -0.016 0.000 1.005 194 G CA 0.680 45.767 45.100 -0.022 0.000 0.713 194 G HN 0.536 nan 8.290 nan 0.000 0.515 195 R N -0.931 119.561 120.500 -0.013 0.000 2.265 195 R HA 0.558 4.898 4.340 0.000 0.000 0.194 195 R C 1.058 177.357 176.300 -0.002 0.000 0.931 195 R CA 0.748 56.844 56.100 -0.006 0.000 1.032 195 R CB 0.875 31.173 30.300 -0.003 0.000 0.980 195 R HN 0.535 nan 8.270 nan 0.000 0.497 196 I N 0.261 120.825 120.570 -0.010 0.000 2.827 196 I HA 0.238 4.408 4.170 0.000 0.000 0.298 196 I C -1.228 174.873 176.117 -0.026 0.000 1.235 196 I CA -1.172 60.123 61.300 -0.007 0.000 1.021 196 I CB 2.400 40.396 38.000 -0.007 0.000 1.259 196 I HN -0.290 nan 8.210 nan 0.000 0.427 197 V N 6.942 126.843 119.914 -0.022 0.000 2.498 197 V HA 0.232 4.352 4.120 0.000 0.000 0.279 197 V C -0.151 175.908 176.094 -0.058 0.000 1.048 197 V CA -0.374 61.904 62.300 -0.037 0.000 0.967 197 V CB 1.371 33.176 31.823 -0.029 0.000 0.988 197 V HN 0.412 nan 8.190 nan 0.000 0.473 198 V N 6.853 126.727 119.914 -0.067 0.000 2.277 198 V HA 0.337 4.458 4.120 0.000 0.000 0.269 198 V C 0.249 176.310 176.094 -0.055 0.000 1.036 198 V CA -0.252 61.989 62.300 -0.098 0.000 0.821 198 V CB 1.013 32.769 31.823 -0.112 0.000 1.052 198 V HN 0.798 nan 8.190 nan 0.000 0.462 199 M N 8.475 128.044 119.600 -0.051 0.000 2.105 199 M HA 0.321 4.802 4.480 0.000 0.000 0.350 199 M C -2.373 173.936 176.300 0.015 0.000 1.308 199 M CA -1.522 53.783 55.300 0.008 0.000 1.108 199 M CB 1.651 34.255 32.600 0.007 0.000 1.622 199 M HN 0.304 nan 8.290 nan 0.000 0.468 200 P HA 0.227 nan 4.420 nan 0.000 0.279 200 P C 0.122 177.503 177.300 0.135 0.000 1.239 200 P CA -0.006 63.139 63.100 0.076 0.000 0.789 200 P CB 1.063 32.812 31.700 0.081 0.000 0.933 201 G N 1.318 110.178 108.800 0.100 0.000 3.934 201 G HA2 0.191 4.151 3.960 0.000 0.000 0.212 201 G HA3 0.191 4.151 3.960 0.000 0.000 0.212 201 G C 0.480 175.457 174.900 0.128 0.000 1.126 201 G CA -0.072 45.120 45.100 0.155 0.000 0.877 201 G HN 0.677 nan 8.290 nan 0.000 0.556 202 G N 0.568 109.415 108.800 0.079 0.000 2.588 202 G HA2 0.509 4.469 3.960 0.000 0.000 0.297 202 G HA3 0.509 4.469 3.960 0.000 0.000 0.297 202 G C 1.237 176.180 174.900 0.072 0.000 0.874 202 G CA 0.475 45.616 45.100 0.068 0.000 1.607 202 G HN 1.350 nan 8.290 nan 0.000 0.486 203 G N 2.291 111.144 108.800 0.088 0.000 2.221 203 G HA2 -0.288 3.672 3.960 0.000 0.000 0.265 203 G HA3 -0.288 3.672 3.960 0.000 0.000 0.265 203 G C 0.529 175.463 174.900 0.057 0.000 1.041 203 G CA 0.104 45.245 45.100 0.068 0.000 0.807 203 G HN 0.779 nan 8.290 nan 0.000 0.502 204 I N 0.696 121.313 120.570 0.078 0.000 2.752 204 I HA 0.263 4.433 4.170 0.000 0.000 0.287 204 I C 0.975 177.113 176.117 0.034 0.000 1.188 204 I CA 0.874 62.204 61.300 0.050 0.000 1.427 204 I CB 0.577 38.626 38.000 0.082 0.000 1.365 204 I HN 0.179 nan 8.210 nan 0.000 0.585 205 T N 2.770 117.323 114.554 -0.003 0.000 2.841 205 T HA 0.123 4.473 4.350 0.000 0.000 0.296 205 T C 0.578 175.257 174.700 -0.034 0.000 1.166 205 T CA -0.578 61.518 62.100 -0.005 0.000 1.007 205 T CB 1.576 70.442 68.868 -0.003 0.000 1.253 205 T HN 0.709 nan 8.240 nan 0.000 0.511 206 D N 0.660 121.045 120.400 -0.025 0.000 2.309 206 D HA -0.174 4.466 4.640 0.000 0.000 0.212 206 D C 1.386 177.654 176.300 -0.052 0.000 0.968 206 D CA 0.850 54.826 54.000 -0.039 0.000 0.882 206 D CB 0.066 40.853 40.800 -0.022 0.000 0.918 206 D HN 0.669 nan 8.370 nan 0.000 0.503 207 R N 0.120 120.594 120.500 -0.043 0.000 2.308 207 R HA 0.105 4.446 4.340 0.000 0.000 0.202 207 R C 0.779 177.050 176.300 -0.049 0.000 0.898 207 R CA 0.200 56.275 56.100 -0.042 0.000 1.046 207 R CB -0.441 29.842 30.300 -0.028 0.000 1.026 207 R HN 0.129 nan 8.270 nan 0.000 0.512 208 N N 0.583 119.249 118.700 -0.057 0.000 2.177 208 N HA 0.018 4.758 4.740 0.000 0.000 0.218 208 N C 1.258 176.709 175.510 -0.098 0.000 1.182 208 N CA -0.260 52.753 53.050 -0.062 0.000 0.882 208 N CB 0.036 38.498 38.487 -0.041 0.000 1.052 208 N HN 0.151 nan 8.380 nan 0.000 0.519 209 L N 0.415 121.556 121.223 -0.138 0.000 1.994 209 L HA -0.149 4.191 4.340 0.000 0.000 0.208 209 L C 2.570 179.307 176.870 -0.222 0.000 1.071 209 L CA 1.766 56.465 54.840 -0.235 0.000 0.745 209 L CB -0.231 41.653 42.059 -0.291 0.000 0.892 209 L HN 0.321 nan 8.230 nan 0.000 0.431 210 Q N -0.316 119.379 119.800 -0.174 0.000 2.030 210 Q HA -0.297 4.043 4.340 0.000 0.000 0.204 210 Q C 2.199 178.134 176.000 -0.108 0.000 0.986 210 Q CA 1.882 57.595 55.803 -0.150 0.000 0.843 210 Q CB 0.006 28.673 28.738 -0.117 0.000 0.904 210 Q HN 0.272 nan 8.270 nan 0.000 0.420 211 R N 0.290 120.740 120.500 -0.084 0.000 2.119 211 R HA -0.132 4.209 4.340 0.000 0.000 0.246 211 R C 2.126 178.394 176.300 -0.053 0.000 1.146 211 R CA 1.828 57.894 56.100 -0.057 0.000 0.962 211 R CB -0.546 29.726 30.300 -0.046 0.000 0.863 211 R HN 0.420 nan 8.270 nan 0.000 0.442 212 I N -0.286 120.241 120.570 -0.072 0.000 2.233 212 I HA -0.228 3.942 4.170 0.000 0.000 0.243 212 I C 1.945 178.039 176.117 -0.039 0.000 1.093 212 I CA 0.996 62.263 61.300 -0.056 0.000 1.380 212 I CB -0.189 37.770 38.000 -0.068 0.000 1.067 212 I HN 0.089 nan 8.210 nan 0.000 0.413 213 L N 0.327 121.508 121.223 -0.070 0.000 1.976 213 L HA -0.219 4.121 4.340 0.000 0.000 0.209 213 L C 2.518 179.409 176.870 0.035 0.000 1.071 213 L CA 1.660 56.504 54.840 0.006 0.000 0.746 213 L CB -0.727 41.298 42.059 -0.058 0.000 0.890 213 L HN 0.236 nan 8.230 nan 0.000 0.432 214 E N 0.053 120.247 120.200 -0.011 0.000 2.118 214 E HA -0.186 4.164 4.350 0.000 0.000 0.195 214 E C 2.086 178.691 176.600 0.009 0.000 0.992 214 E CA 1.105 57.506 56.400 0.002 0.000 0.804 214 E CB -0.306 29.380 29.700 -0.022 0.000 0.741 214 E HN 0.571 nan 8.360 nan 0.000 0.458 215 G N 0.298 109.098 108.800 -0.001 0.000 2.650 215 G HA2 -0.170 3.790 3.960 0.000 0.000 0.214 215 G HA3 -0.170 3.790 3.960 0.000 0.000 0.214 215 G C 1.481 176.387 174.900 0.011 0.000 1.136 215 G CA 0.962 46.064 45.100 0.002 0.000 0.789 215 G HN 0.353 nan 8.290 nan 0.000 0.536 216 S N -2.328 113.385 115.700 0.022 0.000 2.619 216 S HA 0.387 4.857 4.470 0.000 0.000 0.238 216 S C 1.712 176.332 174.600 0.033 0.000 1.068 216 S CA 1.108 59.323 58.200 0.025 0.000 0.926 216 S CB 0.304 63.519 63.200 0.025 0.000 0.864 216 S HN 1.401 nan 8.310 nan 0.000 0.493 217 G N 1.777 110.610 108.800 0.055 0.000 2.143 217 G HA2 -0.046 3.914 3.960 0.000 0.000 0.248 217 G HA3 -0.046 3.914 3.960 0.000 0.000 0.248 217 G C 0.319 175.247 174.900 0.047 0.000 0.991 217 G CA 0.107 45.243 45.100 0.059 0.000 0.689 217 G HN 1.303 nan 8.290 nan 0.000 0.522 218 A N -1.055 121.812 122.820 0.079 0.000 2.366 218 A HA 0.757 5.077 4.320 0.000 0.000 0.249 218 A C 1.294 178.887 177.584 0.016 0.000 1.084 218 A CA 1.374 53.449 52.037 0.063 0.000 0.794 218 A CB 0.672 19.739 19.000 0.111 0.000 1.034 218 A HN 0.666 nan 8.150 nan 0.000 0.491 219 T N 0.296 114.781 114.554 -0.116 0.000 2.964 219 T HA 0.184 4.534 4.350 0.000 0.000 0.250 219 T C 0.264 174.887 174.700 -0.129 0.000 0.982 219 T CA 0.499 62.340 62.100 -0.430 0.000 0.959 219 T CB 0.030 68.653 68.868 -0.408 0.000 1.141 219 T HN 0.757 nan 8.240 nan 0.000 0.494 220 E N 1.024 121.236 120.200 0.020 0.000 2.238 220 E HA 0.588 4.938 4.350 0.000 0.000 0.267 220 E C -1.464 175.246 176.600 0.183 0.000 0.887 220 E CA -0.920 55.509 56.400 0.049 0.000 0.769 220 E CB 2.175 31.842 29.700 -0.055 0.000 1.187 220 E HN 0.321 nan 8.360 nan 0.000 0.416 221 F N -0.657 119.326 119.950 0.054 0.000 2.613 221 F HA 0.475 5.002 4.527 0.000 0.000 0.310 221 F C -1.053 174.793 175.800 0.077 0.000 1.085 221 F CA -1.048 56.994 58.000 0.071 0.000 0.945 221 F CB 1.511 40.562 39.000 0.084 0.000 1.298 221 F HN 0.376 nan 8.300 nan 0.000 0.455 222 H N 2.760 121.907 119.070 0.127 0.000 2.481 222 H HA 0.705 5.261 4.556 0.000 0.000 0.333 222 H C -1.203 174.209 175.328 0.141 0.000 1.066 222 H CA -0.459 55.605 56.048 0.026 0.000 1.209 222 H CB 1.625 31.394 29.762 0.013 0.000 1.445 222 H HN 1.165 nan 8.280 nan 0.000 0.488 223 C N 2.294 121.471 119.300 -0.205 0.000 3.285 223 C HA 0.686 5.146 4.460 0.000 0.000 0.320 223 C C -0.290 174.589 174.990 -0.185 0.000 1.411 223 C CA -1.020 57.977 59.018 -0.036 0.000 1.429 223 C CB 1.316 29.157 27.740 0.169 0.000 1.812 223 C HN 0.710 nan 8.230 nan 0.000 0.454 224 S N 0.286 115.959 115.700 -0.045 0.000 2.389 224 S HA 0.635 5.105 4.470 0.000 0.000 0.201 224 S C -0.041 174.555 174.600 -0.007 0.000 1.422 224 S CA 0.236 58.412 58.200 -0.039 0.000 1.216 224 S CB 0.110 63.316 63.200 0.009 0.000 1.130 224 S HN 1.571 nan 8.310 nan 0.000 0.465 225 A N 5.029 127.841 122.820 -0.013 0.000 3.118 225 A HA 0.417 4.737 4.320 0.000 0.000 0.256 225 A C 0.469 178.053 177.584 -0.000 0.000 1.667 225 A CA -0.321 51.717 52.037 0.002 0.000 1.338 225 A CB -0.242 18.761 19.000 0.005 0.000 1.127 225 A HN 0.731 nan 8.150 nan 0.000 0.634 226 R N 0.774 121.275 120.500 0.003 0.000 2.428 226 R HA 0.592 4.932 4.340 0.000 0.000 0.294 226 R C -0.086 176.218 176.300 0.007 0.000 1.000 226 R CA -0.022 56.081 56.100 0.004 0.000 0.960 226 R CB 1.530 31.834 30.300 0.007 0.000 1.076 226 R HN 0.593 nan 8.270 nan 0.000 0.475 227 S N 0.075 115.779 115.700 0.006 0.000 2.570 227 S HA 0.424 4.895 4.470 0.000 0.000 0.286 227 S C -0.496 174.109 174.600 0.008 0.000 1.099 227 S CA -0.944 57.261 58.200 0.007 0.000 0.913 227 S CB 2.057 65.260 63.200 0.006 0.000 1.085 227 S HN 0.392 nan 8.310 nan 0.000 0.480 228 T N 3.363 117.923 114.554 0.010 0.000 2.780 228 T HA 0.503 4.853 4.350 0.000 0.000 0.294 228 T C -0.187 174.521 174.700 0.013 0.000 0.949 228 T CA -0.699 61.408 62.100 0.012 0.000 1.074 228 T CB 0.227 69.103 68.868 0.013 0.000 0.910 228 T HN 0.445 nan 8.240 nan 0.000 0.501 229 R N 2.212 122.722 120.500 0.016 0.000 2.598 229 R HA 0.442 4.782 4.340 0.000 0.000 0.279 229 R C -0.329 175.986 176.300 0.026 0.000 0.984 229 R CA -0.989 55.121 56.100 0.018 0.000 0.999 229 R CB 0.841 31.151 30.300 0.017 0.000 1.114 229 R HN 0.563 nan 8.270 nan 0.000 0.493 230 D N 0.210 120.625 120.400 0.025 0.000 2.302 230 D HA 0.035 4.675 4.640 0.000 0.000 0.248 230 D C -0.278 176.048 176.300 0.044 0.000 1.094 230 D CA 0.078 54.097 54.000 0.033 0.000 0.897 230 D CB 1.247 42.057 40.800 0.017 0.000 1.200 230 D HN 0.291 nan 8.370 nan 0.000 0.429 231 S N 1.124 116.868 115.700 0.072 0.000 2.572 231 S HA 0.261 4.731 4.470 0.000 0.000 0.279 231 S C 1.476 176.112 174.600 0.060 0.000 1.341 231 S CA 0.052 58.306 58.200 0.090 0.000 1.043 231 S CB 0.913 64.227 63.200 0.189 0.000 0.887 231 S HN 0.518 nan 8.310 nan 0.000 0.516 232 G N 3.417 112.250 108.800 0.056 0.000 2.650 232 G HA2 -0.021 3.939 3.960 0.000 0.000 0.214 232 G HA3 -0.021 3.939 3.960 0.000 0.000 0.214 232 G C 0.497 175.426 174.900 0.050 0.000 1.136 232 G CA -0.067 45.059 45.100 0.043 0.000 0.789 232 G HN 0.627 nan 8.290 nan 0.000 0.536 233 M N 1.447 121.093 119.600 0.077 0.000 2.474 233 M HA 0.187 4.667 4.480 0.000 0.000 0.352 233 M C 1.386 177.703 176.300 0.028 0.000 1.690 233 M CA 0.176 55.531 55.300 0.091 0.000 1.112 233 M CB 0.506 33.215 32.600 0.182 0.000 2.062 233 M HN -0.004 nan 8.290 nan 0.000 0.461 234 K N 3.721 124.152 120.400 0.052 0.000 2.186 234 K HA 0.021 4.341 4.320 0.000 0.000 0.202 234 K C 0.122 176.756 176.600 0.058 0.000 1.052 234 K CA 0.526 56.833 56.287 0.034 0.000 0.965 234 K CB 0.148 32.679 32.500 0.051 0.000 0.746 234 K HN 0.557 nan 8.250 nan 0.000 0.457 235 F N 2.537 122.474 119.950 -0.022 0.000 2.411 235 F HA 0.252 4.779 4.527 0.000 0.000 0.350 235 F C -0.320 175.463 175.800 -0.028 0.000 1.114 235 F CA -0.639 57.347 58.000 -0.023 0.000 1.135 235 F CB 0.592 39.594 39.000 0.003 0.000 1.120 235 F HN -0.253 nan 8.300 nan 0.000 0.495 236 R N 4.139 124.052 120.500 -0.977 0.000 2.803 236 R HA 0.363 4.703 4.340 0.000 0.000 0.276 236 R C -1.203 174.548 176.300 -0.914 0.000 0.978 236 R CA -1.229 54.365 56.100 -0.843 0.000 0.939 236 R CB 1.793 31.575 30.300 -0.863 0.000 1.179 236 R HN 0.585 nan 8.270 nan 0.000 0.472 237 N N 0.686 119.160 118.700 -0.378 0.000 2.448 237 N HA 0.149 4.889 4.740 0.000 0.000 0.279 237 N C -1.404 174.104 175.510 -0.003 0.000 1.025 237 N CA -0.051 52.884 53.050 -0.192 0.000 0.898 237 N CB 2.117 40.572 38.487 -0.053 0.000 1.303 237 N HN 0.402 nan 8.380 nan 0.000 0.495 238 S N 1.338 117.022 115.700 -0.027 0.000 2.610 238 S HA 0.570 5.040 4.470 0.000 0.000 0.273 238 S C -0.258 174.355 174.600 0.022 0.000 1.274 238 S CA 0.425 58.635 58.200 0.017 0.000 1.023 238 S CB 0.284 63.479 63.200 -0.009 0.000 0.962 238 S HN 0.982 nan 8.310 nan 0.000 0.523 250 E N -0.039 120.135 120.200 -0.043 0.000 3.916 250 E HA -0.223 4.128 4.350 0.000 0.000 0.331 250 E C -0.456 175.884 176.600 -0.432 0.000 0.729 250 E CA 1.736 58.003 56.400 -0.221 0.000 1.222 250 E CB -2.001 27.535 29.700 -0.272 0.000 1.633 250 E HN 0.901 nan 8.360 nan 0.000 0.437 251 Y N -0.245 120.041 120.300 -0.023 0.000 2.685 251 Y HA 0.390 4.941 4.550 0.000 0.000 0.257 251 Y C -0.382 175.508 175.900 -0.016 0.000 1.053 251 Y CA 0.184 58.270 58.100 -0.024 0.000 1.106 251 Y CB 0.969 39.407 38.460 -0.036 0.000 1.193 251 Y HN 0.154 nan 8.280 nan 0.000 0.602 252 S N 0.154 115.897 115.700 0.072 0.000 2.572 252 S HA 0.715 5.186 4.470 0.000 0.000 0.274 252 S C -1.160 173.453 174.600 0.021 0.000 1.150 252 S CA -0.830 57.401 58.200 0.051 0.000 0.944 252 S CB 0.979 64.206 63.200 0.046 0.000 1.071 252 S HN 0.249 nan 8.310 nan 0.000 0.479 253 L N 2.434 123.670 121.223 0.021 0.000 2.289 253 L HA 0.562 4.902 4.340 0.000 0.000 0.285 253 L C 0.084 176.960 176.870 0.011 0.000 1.049 253 L CA -0.820 54.027 54.840 0.011 0.000 0.804 253 L CB 0.970 43.036 42.059 0.013 0.000 1.195 253 L HN 0.623 nan 8.230 nan 0.000 0.428 254 K N 3.629 124.034 120.400 0.008 0.000 2.290 254 K HA 0.424 4.744 4.320 0.000 0.000 0.250 254 K C -0.834 175.770 176.600 0.007 0.000 1.092 254 K CA -0.392 55.900 56.287 0.008 0.000 1.006 254 K CB 1.166 33.671 32.500 0.008 0.000 1.549 254 K HN 0.343 nan 8.250 nan 0.000 0.436 255 V N 1.598 121.516 119.914 0.007 0.000 2.617 255 V HA 0.138 4.258 4.120 0.000 0.000 0.298 255 V C 0.644 176.740 176.094 0.003 0.000 1.048 255 V CA -0.807 61.497 62.300 0.006 0.000 0.964 255 V CB 1.716 33.543 31.823 0.007 0.000 1.004 255 V HN 0.593 nan 8.190 nan 0.000 0.466 256 T N 3.224 117.778 114.554 0.000 0.000 2.829 256 T HA -0.006 4.344 4.350 0.000 0.000 0.293 256 T C -0.009 174.691 174.700 -0.001 0.000 0.970 256 T CA 0.369 62.467 62.100 -0.003 0.000 1.168 256 T CB -0.184 68.679 68.868 -0.009 0.000 0.911 256 T HN 0.722 nan 8.240 nan 0.000 0.535 257 D N 3.096 123.496 120.400 -0.000 0.000 2.295 257 D HA 0.145 4.786 4.640 0.000 0.000 0.248 257 D C 1.271 177.571 176.300 0.001 0.000 1.154 257 D CA -0.485 53.516 54.000 0.002 0.000 0.857 257 D CB 1.422 42.224 40.800 0.003 0.000 1.117 257 D HN 0.209 nan 8.370 nan 0.000 0.468 258 V N 3.666 123.581 119.914 0.001 0.000 2.287 258 V HA -0.260 3.860 4.120 0.000 0.000 0.248 258 V C 2.417 178.512 176.094 0.003 0.000 1.053 258 V CA 1.984 64.285 62.300 0.001 0.000 1.027 258 V CB -0.972 30.852 31.823 0.002 0.000 0.646 258 V HN 0.617 nan 8.190 nan 0.000 0.447 259 T N 0.208 114.764 114.554 0.003 0.000 2.607 259 T HA -0.272 4.078 4.350 0.000 0.000 0.267 259 T C 1.891 176.594 174.700 0.005 0.000 1.049 259 T CA 1.919 64.021 62.100 0.003 0.000 1.162 259 T CB -0.366 68.504 68.868 0.002 0.000 0.863 259 T HN 0.488 nan 8.240 nan 0.000 0.424 260 K N 0.500 120.903 120.400 0.005 0.000 2.113 260 K HA -0.081 4.239 4.320 0.000 0.000 0.208 260 K C 2.354 178.963 176.600 0.015 0.000 1.047 260 K CA 1.083 57.375 56.287 0.008 0.000 0.928 260 K CB -0.517 31.988 32.500 0.008 0.000 0.716 260 K HN 0.201 nan 8.250 nan 0.000 0.446 261 V N 1.271 121.193 119.914 0.012 0.000 2.323 261 V HA -0.198 3.922 4.120 0.000 0.000 0.244 261 V C 2.303 178.411 176.094 0.022 0.000 1.041 261 V CA 1.408 63.718 62.300 0.016 0.000 1.025 261 V CB -0.451 31.373 31.823 0.001 0.000 0.656 261 V HN 0.284 nan 8.190 nan 0.000 0.451 262 R N 0.048 120.556 120.500 0.013 0.000 2.112 262 R HA -0.208 4.133 4.340 0.000 0.000 0.242 262 R C 2.363 178.672 176.300 0.015 0.000 1.137 262 R CA 2.264 58.371 56.100 0.013 0.000 0.944 262 R CB -1.042 29.262 30.300 0.007 0.000 0.857 262 R HN 0.559 nan 8.270 nan 0.000 0.435 263 T N 1.895 116.455 114.554 0.011 0.000 2.652 263 T HA -0.158 4.192 4.350 0.000 0.000 0.267 263 T C 2.018 176.724 174.700 0.010 0.000 1.039 263 T CA 1.292 63.394 62.100 0.005 0.000 1.153 263 T CB -0.342 68.526 68.868 -0.000 0.000 0.863 263 T HN 0.143 nan 8.240 nan 0.000 0.428 264 L N 1.407 122.648 121.223 0.031 0.000 2.013 264 L HA -0.187 4.153 4.340 0.000 0.000 0.212 264 L C 2.821 179.749 176.870 0.097 0.000 1.073 264 L CA 1.369 56.248 54.840 0.065 0.000 0.753 264 L CB -0.603 41.536 42.059 0.133 0.000 0.890 264 L HN 0.372 nan 8.230 nan 0.000 0.432 265 N N 0.090 118.846 118.700 0.092 0.000 2.142 265 N HA -0.181 4.559 4.740 0.000 0.000 0.186 265 N C 1.856 177.388 175.510 0.037 0.000 1.023 265 N CA 1.417 54.518 53.050 0.085 0.000 0.852 265 N CB 0.113 38.633 38.487 0.055 0.000 0.998 265 N HN 0.325 nan 8.380 nan 0.000 0.424 266 A N 1.680 124.509 122.820 0.014 0.000 1.883 266 A HA -0.127 4.193 4.320 0.000 0.000 0.217 266 A C 2.351 179.915 177.584 -0.032 0.000 1.186 266 A CA 1.245 53.278 52.037 -0.007 0.000 0.624 266 A CB -0.785 18.209 19.000 -0.009 0.000 0.822 266 A HN 0.377 nan 8.150 nan 0.000 0.444 267 I N -0.252 120.291 120.570 -0.046 0.000 2.286 267 I HA -0.292 3.878 4.170 0.000 0.000 0.248 267 I C 2.957 178.988 176.117 -0.142 0.000 1.115 267 I CA 1.012 62.258 61.300 -0.091 0.000 1.392 267 I CB -0.407 37.530 38.000 -0.106 0.000 1.065 267 I HN 0.369 nan 8.210 nan 0.000 0.418 268 A N 1.015 123.764 122.820 -0.118 0.000 1.883 268 A HA -0.241 4.079 4.320 0.000 0.000 0.217 268 A C 2.338 179.799 177.584 -0.205 0.000 1.186 268 A CA 1.781 53.706 52.037 -0.187 0.000 0.624 268 A CB -0.489 18.546 19.000 0.058 0.000 0.822 268 A HN 0.316 nan 8.150 nan 0.000 0.444 269 K N -0.447 119.908 120.400 -0.075 0.000 1.991 269 K HA -0.183 4.137 4.320 0.000 0.000 0.212 269 K C 1.817 178.374 176.600 -0.072 0.000 1.049 269 K CA 1.783 58.045 56.287 -0.042 0.000 0.932 269 K CB -0.332 32.163 32.500 -0.009 0.000 0.717 269 K HN 0.433 nan 8.250 nan 0.000 0.441 270 N N 0.954 119.607 118.700 -0.077 0.000 2.289 270 N HA -0.100 4.641 4.740 0.000 0.000 0.184 270 N C 1.706 177.161 175.510 -0.091 0.000 1.016 270 N CA 0.847 53.856 53.050 -0.068 0.000 0.872 270 N CB -0.204 38.248 38.487 -0.059 0.000 0.973 270 N HN 0.155 nan 8.380 nan 0.000 0.433 271 I N 0.373 120.851 120.570 -0.153 0.000 2.208 271 I HA -0.280 3.890 4.170 0.000 0.000 0.245 271 I C 1.951 177.996 176.117 -0.120 0.000 1.097 271 I CA 0.993 62.187 61.300 -0.176 0.000 1.363 271 I CB -0.100 37.711 38.000 -0.316 0.000 1.051 271 I HN 0.154 nan 8.210 nan 0.000 0.413 272 L N -0.274 120.886 121.223 -0.104 0.000 1.973 272 L HA -0.100 4.240 4.340 0.000 0.000 0.208 272 L C 1.252 178.126 176.870 0.006 0.000 1.073 272 L CA 0.921 55.759 54.840 -0.005 0.000 0.746 272 L CB -0.448 41.653 42.059 0.070 0.000 0.891 272 L HN -0.006 nan 8.230 nan 0.000 0.433 273 V N 0.000 119.915 119.914 0.001 0.000 2.409 273 V HA 0.000 4.120 4.120 0.000 0.000 0.244 273 V CA 0.000 62.302 62.300 0.004 0.000 1.235 273 V CB 0.000 31.827 31.823 0.006 0.000 1.184 273 V HN 0.000 nan 8.190 nan 0.000 0.556