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 3nom_1_B DATA FIRST_RESID 25 DATA SEQUENCE SIPIYDYQIV HSYPHDTKAF TEGFFYRNGY FYESTGLNGR SSIRKVDIES DATA SEQUENCE GKTLQQIELG KRYFGEGISD WKDKIVGLTW KNGLGFVWNI RNLRQVRSFN DATA SEQUENCE YDGEGWGLTH NDQYLIMSDG TPVLRFLDPE SLTPVRTITV TAHGEELPEL DATA SEQUENCE NELEWVDGEI FANVWQTNKI VRIDPETGKV TGIIDLNGIL AEAGPLPSPI DATA SEQUENCE DVLNGIAWDK EHHRLFVTGK LWPKVFEITL TQRV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 25 S HA 0.000 nan 4.470 nan 0.000 0.327 25 S C 0.000 174.626 174.600 0.044 0.000 1.055 25 S CA 0.000 58.229 58.200 0.048 0.000 1.107 25 S CB 0.000 63.247 63.200 0.078 0.000 0.593 26 I N 4.394 125.001 120.570 0.063 0.000 2.322 26 I HA 0.335 4.505 4.170 0.001 0.000 0.292 26 I C -2.419 173.686 176.117 -0.020 0.000 1.060 26 I CA -1.982 59.313 61.300 -0.008 0.000 1.309 26 I CB 1.041 38.983 38.000 -0.096 0.000 1.415 26 I HN 0.240 nan 8.210 nan 0.000 0.492 27 P HA 0.138 nan 4.420 nan 0.000 0.264 27 P C -0.505 176.695 177.300 -0.166 0.000 1.193 27 P CA 0.255 63.277 63.100 -0.129 0.000 0.763 27 P CB 0.376 31.995 31.700 -0.135 0.000 0.810 28 I N 3.490 123.917 120.570 -0.239 0.000 2.428 28 I HA 0.317 4.487 4.170 0.001 0.000 0.296 28 I C -0.132 175.756 176.117 -0.381 0.000 0.985 28 I CA -0.765 60.432 61.300 -0.172 0.000 1.260 28 I CB 0.778 38.727 38.000 -0.084 0.000 1.389 28 I HN 0.284 nan 8.210 nan 0.000 0.484 29 Y N 3.008 123.284 120.300 -0.039 0.000 2.376 29 Y HA 0.371 4.921 4.550 0.001 0.000 0.340 29 Y C -0.118 175.779 175.900 -0.005 0.000 0.965 29 Y CA -0.891 57.192 58.100 -0.028 0.000 1.078 29 Y CB 1.393 39.828 38.460 -0.042 0.000 1.193 29 Y HN 0.463 nan 8.280 nan 0.000 0.452 30 D N 1.390 121.850 120.400 0.100 0.000 2.332 30 D HA 0.183 4.823 4.640 0.001 0.000 0.252 30 D C -0.779 175.564 176.300 0.072 0.000 1.050 30 D CA -0.281 53.746 54.000 0.044 0.000 0.970 30 D CB 1.515 42.259 40.800 -0.094 0.000 1.141 30 D HN 0.500 nan 8.370 nan 0.000 0.485 31 Y N -1.081 119.236 120.300 0.028 0.000 2.453 31 Y HA 0.637 5.187 4.550 0.001 0.000 0.326 31 Y C -0.577 175.330 175.900 0.011 0.000 1.186 31 Y CA -0.983 57.133 58.100 0.026 0.000 1.200 31 Y CB 0.750 39.211 38.460 0.001 0.000 1.247 31 Y HN 0.041 nan 8.280 nan 0.000 0.482 32 Q N 2.141 122.012 119.800 0.119 0.000 2.321 32 Q HA 0.499 4.839 4.340 0.001 0.000 0.270 32 Q C -1.297 174.818 176.000 0.191 0.000 1.032 32 Q CA -0.490 55.352 55.803 0.064 0.000 0.784 32 Q CB 2.638 31.384 28.738 0.013 0.000 1.264 32 Q HN 0.739 nan 8.270 nan 0.000 0.448 33 I N 2.843 123.542 120.570 0.215 0.000 2.452 33 I HA 0.006 4.177 4.170 0.001 0.000 0.287 33 I C 0.650 176.817 176.117 0.083 0.000 1.079 33 I CA -0.026 61.392 61.300 0.197 0.000 1.387 33 I CB 0.786 38.921 38.000 0.225 0.000 1.404 33 I HN 0.560 nan 8.210 nan 0.000 0.522 34 V N 5.777 125.719 119.914 0.046 0.000 2.500 34 V HA 0.034 4.155 4.120 0.001 0.000 0.243 34 V C 0.590 176.471 176.094 -0.354 0.000 1.039 34 V CA 1.097 63.312 62.300 -0.141 0.000 1.053 34 V CB -0.459 31.304 31.823 -0.099 0.000 0.695 34 V HN 0.679 nan 8.190 nan 0.000 0.463 35 H N -1.149 117.965 119.070 0.074 0.000 2.990 35 H HA 0.594 5.150 4.556 0.001 0.000 0.343 35 H C -1.144 174.085 175.328 -0.165 0.000 1.270 35 H CA -0.421 55.568 56.048 -0.098 0.000 1.118 35 H CB 2.158 31.776 29.762 -0.240 0.000 1.861 35 H HN 0.234 nan 8.280 nan 0.000 0.544 36 S N 1.007 116.555 115.700 -0.254 0.000 2.614 36 S HA 0.568 5.039 4.470 0.001 0.000 0.288 36 S C -1.392 172.919 174.600 -0.481 0.000 1.137 36 S CA -0.846 57.184 58.200 -0.284 0.000 0.992 36 S CB 1.160 64.311 63.200 -0.082 0.000 1.026 36 S HN 0.358 nan 8.310 nan 0.000 0.486 37 Y N 0.707 121.045 120.300 0.064 0.000 2.485 37 Y HA 0.568 5.119 4.550 0.001 0.000 0.345 37 Y C -2.694 173.229 175.900 0.038 0.000 0.998 37 Y CA -2.710 55.436 58.100 0.077 0.000 1.059 37 Y CB 0.771 39.321 38.460 0.150 0.000 1.234 37 Y HN 0.387 nan 8.280 nan 0.000 0.461 38 P HA -0.009 nan 4.420 nan 0.000 0.267 38 P C -0.777 176.631 177.300 0.180 0.000 1.200 38 P CA 0.552 63.724 63.100 0.119 0.000 0.772 38 P CB 0.414 32.160 31.700 0.076 0.000 0.855 39 H N 1.811 120.889 119.070 0.014 0.000 2.771 39 H HA 0.155 4.712 4.556 0.001 0.000 0.361 39 H C -0.784 174.533 175.328 -0.019 0.000 1.108 39 H CA -0.685 55.359 56.048 -0.006 0.000 1.201 39 H CB 1.506 31.245 29.762 -0.037 0.000 1.681 39 H HN 0.283 nan 8.280 nan 0.000 0.534 40 D N 3.129 123.216 120.400 -0.522 0.000 2.536 40 D HA -0.099 4.542 4.640 0.001 0.000 0.260 40 D C 1.285 177.422 176.300 -0.271 0.000 1.270 40 D CA 0.719 54.496 54.000 -0.372 0.000 0.934 40 D CB 0.622 41.182 40.800 -0.400 0.000 1.129 40 D HN 0.678 nan 8.370 nan 0.000 0.533 41 T N 0.970 115.460 114.554 -0.107 0.000 3.155 41 T HA -0.051 4.300 4.350 0.001 0.000 0.264 41 T C 1.215 175.858 174.700 -0.095 0.000 1.160 41 T CA 0.674 62.746 62.100 -0.046 0.000 1.075 41 T CB -0.006 68.842 68.868 -0.033 0.000 0.921 41 T HN 0.349 nan 8.240 nan 0.000 0.533 42 K N 0.544 120.872 120.400 -0.120 0.000 2.358 42 K HA 0.476 4.796 4.320 0.001 0.000 0.200 42 K C 0.406 176.936 176.600 -0.117 0.000 1.030 42 K CA -0.150 56.071 56.287 -0.110 0.000 1.097 42 K CB 0.767 33.233 32.500 -0.056 0.000 0.862 42 K HN 0.366 nan 8.250 nan 0.000 0.534 43 A N 1.201 123.937 122.820 -0.140 0.000 2.253 43 A HA 0.399 4.719 4.320 0.001 0.000 0.316 43 A C -0.765 176.802 177.584 -0.029 0.000 1.327 43 A CA -0.467 51.529 52.037 -0.068 0.000 0.917 43 A CB -0.289 18.618 19.000 -0.156 0.000 1.162 43 A HN 0.161 nan 8.150 nan 0.000 0.535 44 F N 2.621 122.591 119.950 0.034 0.000 2.494 44 F HA 0.104 4.631 4.527 0.001 0.000 0.351 44 F C 1.049 176.847 175.800 -0.003 0.000 1.205 44 F CA 0.596 58.617 58.000 0.036 0.000 1.125 44 F CB 0.489 39.520 39.000 0.052 0.000 1.268 44 F HN 0.505 nan 8.300 nan 0.000 0.593 45 T N 4.073 118.691 114.554 0.106 0.000 2.751 45 T HA -0.004 4.346 4.350 0.001 0.000 0.279 45 T C 1.039 175.746 174.700 0.011 0.000 0.941 45 T CA -0.143 61.962 62.100 0.008 0.000 1.192 45 T CB 0.311 69.078 68.868 -0.168 0.000 0.883 45 T HN 0.455 nan 8.240 nan 0.000 0.534 46 E N 1.751 121.964 120.200 0.022 0.000 2.431 46 E HA 0.241 4.591 4.350 0.001 0.000 0.200 46 E C 1.086 177.733 176.600 0.077 0.000 0.995 46 E CA 0.105 56.511 56.400 0.010 0.000 0.915 46 E CB 0.773 30.457 29.700 -0.026 0.000 0.930 46 E HN 0.768 nan 8.360 nan 0.000 0.496 47 G N 0.597 109.476 108.800 0.131 0.000 2.667 47 G HA2 0.478 4.439 3.960 0.001 0.000 0.294 47 G HA3 0.478 4.439 3.960 0.001 0.000 0.294 47 G C -2.041 173.054 174.900 0.325 0.000 1.467 47 G CA -0.654 44.589 45.100 0.237 0.000 0.852 47 G HN -0.047 nan 8.290 nan 0.000 0.521 48 F N 1.672 121.722 119.950 0.166 0.000 2.639 48 F HA 0.722 5.250 4.527 0.001 0.000 0.326 48 F C -1.717 174.244 175.800 0.268 0.000 1.150 48 F CA -2.155 55.896 58.000 0.084 0.000 1.057 48 F CB 1.269 40.264 39.000 -0.009 0.000 1.300 48 F HN 0.769 nan 8.300 nan 0.000 0.486 49 F N 4.829 124.739 119.950 -0.066 0.000 2.662 49 F HA 0.677 5.205 4.527 0.001 0.000 0.312 49 F C -2.255 173.568 175.800 0.039 0.000 1.113 49 F CA -1.571 56.401 58.000 -0.047 0.000 0.951 49 F CB 1.274 40.368 39.000 0.155 0.000 1.344 49 F HN 0.496 nan 8.300 nan 0.000 0.462 50 Y N 2.235 122.735 120.300 0.333 0.000 2.361 50 Y HA 0.783 5.334 4.550 0.001 0.000 0.332 50 Y C -0.719 175.507 175.900 0.543 0.000 1.101 50 Y CA -0.861 57.455 58.100 0.360 0.000 1.137 50 Y CB 1.331 39.996 38.460 0.343 0.000 1.207 50 Y HN 0.931 nan 8.280 nan 0.000 0.463 51 R N 4.569 124.906 120.500 -0.273 0.000 2.523 51 R HA 0.326 4.667 4.340 0.001 0.000 0.278 51 R C -1.688 174.424 176.300 -0.312 0.000 1.150 51 R CA -0.434 55.600 56.100 -0.111 0.000 0.987 51 R CB 0.169 30.707 30.300 0.396 0.000 1.232 51 R HN 0.798 nan 8.270 nan 0.000 0.424 52 N N 3.370 121.871 118.700 -0.331 0.000 2.726 52 N HA -0.143 4.597 4.740 0.001 0.000 0.253 52 N C 0.509 175.858 175.510 -0.268 0.000 1.059 52 N CA 1.760 54.746 53.050 -0.107 0.000 0.701 52 N CB -1.096 37.450 38.487 0.099 0.000 0.899 52 N HN 1.287 nan 8.380 nan 0.000 0.548 53 G N -1.519 107.064 108.800 -0.363 0.000 2.200 53 G HA2 -0.365 3.595 3.960 0.001 0.000 0.267 53 G HA3 -0.365 3.595 3.960 0.001 0.000 0.267 53 G C -0.198 174.200 174.900 -0.836 0.000 0.993 53 G CA 1.264 46.090 45.100 -0.456 0.000 0.701 53 G HN 0.567 nan 8.290 nan 0.000 0.524 54 Y N -1.532 118.444 120.300 -0.540 0.000 2.524 54 Y HA 0.755 5.306 4.550 0.001 0.000 0.344 54 Y C 0.100 175.668 175.900 -0.552 0.000 1.012 54 Y CA -1.765 55.992 58.100 -0.571 0.000 1.068 54 Y CB 1.154 39.294 38.460 -0.534 0.000 1.249 54 Y HN -0.027 nan 8.280 nan 0.000 0.468 55 F N 1.057 120.819 119.950 -0.313 0.000 2.397 55 F HA 0.472 5.000 4.527 0.001 0.000 0.331 55 F C -0.772 174.678 175.800 -0.584 0.000 1.090 55 F CA -1.651 56.166 58.000 -0.305 0.000 1.065 55 F CB 0.706 39.679 39.000 -0.045 0.000 1.184 55 F HN 0.295 nan 8.300 nan 0.000 0.499 56 Y N 0.575 120.728 120.300 -0.245 0.000 2.425 56 Y HA 0.476 5.026 4.550 0.001 0.000 0.344 56 Y C -0.306 175.425 175.900 -0.281 0.000 0.969 56 Y CA -0.858 56.936 58.100 -0.509 0.000 1.052 56 Y CB 2.078 39.721 38.460 -1.362 0.000 1.215 56 Y HN 0.527 nan 8.280 nan 0.000 0.451 57 E N 1.223 121.443 120.200 0.033 0.000 2.290 57 E HA 0.340 4.691 4.350 0.001 0.000 0.274 57 E C -1.478 175.150 176.600 0.046 0.000 0.889 57 E CA -0.528 55.933 56.400 0.101 0.000 0.760 57 E CB 1.650 31.409 29.700 0.098 0.000 1.206 57 E HN 0.488 nan 8.360 nan 0.000 0.419 58 S N 2.844 118.590 115.700 0.078 0.000 2.416 58 S HA 0.322 4.793 4.470 0.001 0.000 0.287 58 S C -0.607 173.989 174.600 -0.007 0.000 1.139 58 S CA -0.270 57.947 58.200 0.028 0.000 1.058 58 S CB 0.149 63.397 63.200 0.079 0.000 0.967 58 S HN 0.467 nan 8.310 nan 0.000 0.495 59 T N 2.123 116.648 114.554 -0.047 0.000 2.824 59 T HA 0.686 5.037 4.350 0.001 0.000 0.282 59 T C 0.230 174.894 174.700 -0.061 0.000 0.993 59 T CA -0.817 61.268 62.100 -0.025 0.000 0.967 59 T CB 1.446 70.302 68.868 -0.020 0.000 0.960 59 T HN 0.590 nan 8.240 nan 0.000 0.441 60 G N 2.374 111.185 108.800 0.018 0.000 2.349 60 G HA2 0.525 4.486 3.960 0.001 0.000 0.281 60 G HA3 0.525 4.486 3.960 0.001 0.000 0.281 60 G C 0.231 175.257 174.900 0.209 0.000 1.182 60 G CA -0.662 44.479 45.100 0.068 0.000 0.899 60 G HN 0.744 nan 8.290 nan 0.000 0.455 61 L N 2.594 123.897 121.223 0.133 0.000 3.184 61 L HA 0.363 4.703 4.340 0.001 0.000 0.283 61 L C 0.461 177.406 176.870 0.124 0.000 1.218 61 L CA 0.193 55.107 54.840 0.123 0.000 1.028 61 L CB 0.066 42.148 42.059 0.039 0.000 1.400 61 L HN 0.625 nan 8.230 nan 0.000 0.591 62 N N -0.486 118.301 118.700 0.146 0.000 3.872 62 N HA -0.026 4.715 4.740 0.001 0.000 0.107 62 N C 0.865 176.439 175.510 0.106 0.000 0.867 62 N CA 0.764 53.889 53.050 0.125 0.000 3.018 62 N CB -0.222 38.318 38.487 0.088 0.000 1.338 62 N HN 0.308 nan 8.380 nan 0.000 0.798 63 G N 0.656 109.532 108.800 0.126 0.000 2.412 63 G HA2 -0.340 3.621 3.960 0.001 0.000 0.252 63 G HA3 -0.340 3.621 3.960 0.001 0.000 0.252 63 G C 0.303 175.341 174.900 0.229 0.000 1.038 63 G CA 0.530 45.734 45.100 0.174 0.000 0.628 63 G HN 0.370 nan 8.290 nan 0.000 0.531 64 R N 1.347 121.923 120.500 0.128 0.000 2.340 64 R HA 0.561 4.902 4.340 0.001 0.000 0.300 64 R C 0.079 176.377 176.300 -0.003 0.000 1.069 64 R CA -0.057 56.088 56.100 0.074 0.000 0.984 64 R CB 0.939 31.267 30.300 0.045 0.000 1.003 64 R HN 0.256 nan 8.270 nan 0.000 0.459 65 S N 0.944 116.600 115.700 -0.073 0.000 2.537 65 S HA 0.358 4.828 4.470 0.001 0.000 0.275 65 S C -0.072 174.465 174.600 -0.105 0.000 1.272 65 S CA -0.261 57.818 58.200 -0.202 0.000 1.050 65 S CB 1.208 64.226 63.200 -0.305 0.000 0.961 65 S HN 0.447 nan 8.310 nan 0.000 0.496 66 S N 2.081 117.709 115.700 -0.121 0.000 2.634 66 S HA 0.677 5.147 4.470 0.001 0.000 0.296 66 S C -1.039 173.474 174.600 -0.145 0.000 1.104 66 S CA -0.709 57.422 58.200 -0.116 0.000 0.920 66 S CB 0.786 63.931 63.200 -0.091 0.000 1.111 66 S HN 0.508 nan 8.310 nan 0.000 0.493 67 I N 3.125 123.571 120.570 -0.206 0.000 2.478 67 I HA 0.497 4.668 4.170 0.001 0.000 0.287 67 I C -0.239 175.758 176.117 -0.199 0.000 1.042 67 I CA -0.546 60.604 61.300 -0.251 0.000 1.067 67 I CB 1.628 39.300 38.000 -0.547 0.000 1.233 67 I HN 0.701 nan 8.210 nan 0.000 0.431 68 R N 4.699 125.129 120.500 -0.115 0.000 2.771 68 R HA 0.582 4.923 4.340 0.001 0.000 0.274 68 R C -1.531 174.693 176.300 -0.127 0.000 0.987 68 R CA -0.948 55.084 56.100 -0.113 0.000 0.908 68 R CB 2.925 33.157 30.300 -0.114 0.000 1.213 68 R HN 0.558 nan 8.270 nan 0.000 0.468 69 K N 2.695 122.960 120.400 -0.226 0.000 2.240 69 K HA 0.368 4.688 4.320 0.001 0.000 0.271 69 K C -1.286 175.096 176.600 -0.363 0.000 1.018 69 K CA -0.642 55.340 56.287 -0.509 0.000 0.874 69 K CB 1.598 33.797 32.500 -0.500 0.000 1.098 69 K HN 0.438 nan 8.250 nan 0.000 0.458 70 V N 3.503 123.226 119.914 -0.318 0.000 2.555 70 V HA 0.100 4.221 4.120 0.001 0.000 0.302 70 V C -0.413 175.619 176.094 -0.104 0.000 1.038 70 V CA -0.951 61.269 62.300 -0.134 0.000 0.887 70 V CB 1.688 33.520 31.823 0.015 0.000 0.991 70 V HN 0.860 nan 8.190 nan 0.000 0.434 71 D N 2.638 122.991 120.400 -0.078 0.000 2.417 71 D HA 0.161 4.801 4.640 0.001 0.000 0.250 71 D C 1.105 177.256 176.300 -0.248 0.000 1.166 71 D CA 0.123 54.065 54.000 -0.096 0.000 0.881 71 D CB 0.796 41.556 40.800 -0.067 0.000 1.164 71 D HN 0.454 nan 8.370 nan 0.000 0.467 72 I N 2.649 122.909 120.570 -0.517 0.000 2.179 72 I HA -0.193 3.978 4.170 0.001 0.000 0.242 72 I C 2.077 177.857 176.117 -0.562 0.000 1.088 72 I CA 0.917 61.704 61.300 -0.856 0.000 1.357 72 I CB -0.224 37.035 38.000 -1.235 0.000 1.051 72 I HN 0.569 nan 8.210 nan 0.000 0.409 73 E N 1.184 121.153 120.200 -0.384 0.000 2.051 73 E HA -0.204 4.147 4.350 0.001 0.000 0.192 73 E C 2.149 178.748 176.600 -0.000 0.000 0.991 73 E CA 1.998 58.308 56.400 -0.149 0.000 0.799 73 E CB -0.012 29.626 29.700 -0.104 0.000 0.748 73 E HN 0.469 nan 8.360 nan 0.000 0.449 74 S N -1.927 113.748 115.700 -0.041 0.000 2.517 74 S HA 0.236 4.707 4.470 0.001 0.000 0.214 74 S C 1.753 176.360 174.600 0.013 0.000 0.991 74 S CA 0.412 58.611 58.200 -0.001 0.000 0.906 74 S CB 0.343 63.529 63.200 -0.023 0.000 0.789 74 S HN 0.486 nan 8.310 nan 0.000 0.513 75 G N 1.600 110.409 108.800 0.016 0.000 2.216 75 G HA2 -0.348 3.613 3.960 0.001 0.000 0.269 75 G HA3 -0.348 3.613 3.960 0.001 0.000 0.269 75 G C 0.088 174.973 174.900 -0.025 0.000 0.981 75 G CA 0.841 45.964 45.100 0.039 0.000 0.658 75 G HN 0.610 nan 8.290 nan 0.000 0.539 76 K N 0.622 120.999 120.400 -0.039 0.000 2.355 76 K HA 0.384 4.704 4.320 0.001 0.000 0.270 76 K C 0.512 177.068 176.600 -0.073 0.000 1.003 76 K CA 0.258 56.511 56.287 -0.057 0.000 0.957 76 K CB 0.435 32.905 32.500 -0.050 0.000 0.939 76 K HN 0.084 nan 8.250 nan 0.000 0.482 77 T N 3.170 117.674 114.554 -0.084 0.000 2.817 77 T HA 0.136 4.486 4.350 0.001 0.000 0.293 77 T C 0.686 175.320 174.700 -0.109 0.000 0.964 77 T CA -0.454 61.584 62.100 -0.103 0.000 1.085 77 T CB 0.665 69.474 68.868 -0.100 0.000 0.921 77 T HN 0.261 nan 8.240 nan 0.000 0.502 78 L N 2.627 123.763 121.223 -0.144 0.000 2.515 78 L HA 0.405 4.746 4.340 0.001 0.000 0.223 78 L C 0.712 177.490 176.870 -0.153 0.000 1.079 78 L CA 1.072 55.821 54.840 -0.153 0.000 0.857 78 L CB -0.212 41.716 42.059 -0.218 0.000 1.050 78 L HN 0.645 nan 8.230 nan 0.000 0.476 79 Q N -0.060 119.644 119.800 -0.160 0.000 2.574 79 Q HA 0.438 4.779 4.340 0.001 0.000 0.265 79 Q C -1.882 174.037 176.000 -0.135 0.000 0.975 79 Q CA -0.483 55.236 55.803 -0.141 0.000 0.923 79 Q CB 1.700 30.343 28.738 -0.158 0.000 1.518 79 Q HN 0.252 nan 8.270 nan 0.000 0.401 80 Q N 3.170 122.897 119.800 -0.121 0.000 2.527 80 Q HA 0.684 5.025 4.340 0.001 0.000 0.280 80 Q C -1.469 174.446 176.000 -0.141 0.000 0.977 80 Q CA -0.905 54.817 55.803 -0.135 0.000 0.837 80 Q CB 1.729 30.397 28.738 -0.116 0.000 1.454 80 Q HN 0.670 nan 8.270 nan 0.000 0.387 81 I N -2.061 118.396 120.570 -0.189 0.000 2.608 81 I HA 0.636 4.807 4.170 0.001 0.000 0.295 81 I C -0.889 175.136 176.117 -0.153 0.000 1.049 81 I CA -0.866 60.332 61.300 -0.171 0.000 1.063 81 I CB 2.312 40.179 38.000 -0.221 0.000 1.248 81 I HN 0.832 nan 8.210 nan 0.000 0.424 82 E N 4.733 124.878 120.200 -0.092 0.000 2.200 82 E HA 0.370 4.721 4.350 0.001 0.000 0.283 82 E C -1.231 175.349 176.600 -0.034 0.000 1.015 82 E CA -0.830 55.535 56.400 -0.060 0.000 0.819 82 E CB 1.508 31.188 29.700 -0.033 0.000 1.081 82 E HN 0.594 nan 8.360 nan 0.000 0.397 83 L N 3.391 124.605 121.223 -0.015 0.000 2.452 83 L HA 0.236 4.576 4.340 0.001 0.000 0.267 83 L C 0.981 177.928 176.870 0.127 0.000 1.188 83 L CA 0.657 55.529 54.840 0.053 0.000 0.821 83 L CB 0.864 42.985 42.059 0.102 0.000 1.102 83 L HN 0.696 nan 8.230 nan 0.000 0.470 84 G N 2.082 111.021 108.800 0.231 0.000 2.391 84 G HA2 -0.026 3.934 3.960 0.001 0.000 0.234 84 G HA3 -0.026 3.934 3.960 0.001 0.000 0.234 84 G C 0.842 175.806 174.900 0.107 0.000 1.284 84 G CA -0.377 44.843 45.100 0.199 0.000 0.873 84 G HN 0.800 nan 8.290 nan 0.000 0.549 85 K N 1.373 121.789 120.400 0.027 0.000 2.127 85 K HA -0.269 4.052 4.320 0.001 0.000 0.212 85 K C 2.343 178.924 176.600 -0.033 0.000 1.050 85 K CA 1.990 58.281 56.287 0.006 0.000 0.929 85 K CB -0.103 32.392 32.500 -0.008 0.000 0.715 85 K HN 0.782 nan 8.250 nan 0.000 0.457 86 R N -0.093 120.285 120.500 -0.203 0.000 2.310 86 R HA 0.045 4.385 4.340 0.001 0.000 0.202 86 R C 0.074 176.237 176.300 -0.229 0.000 0.933 86 R CA 0.130 56.073 56.100 -0.262 0.000 1.054 86 R CB -0.084 29.995 30.300 -0.369 0.000 0.985 86 R HN 0.132 nan 8.270 nan 0.000 0.489 87 Y N 0.418 120.825 120.300 0.178 0.000 2.334 87 Y HA 0.341 4.892 4.550 0.001 0.000 0.328 87 Y C -0.636 175.436 175.900 0.287 0.000 1.130 87 Y CA -1.393 56.848 58.100 0.236 0.000 1.163 87 Y CB 1.255 39.889 38.460 0.290 0.000 1.207 87 Y HN -0.137 nan 8.280 nan 0.000 0.471 88 F N 1.994 122.164 119.950 0.367 0.000 2.403 88 F HA 0.549 5.077 4.527 0.001 0.000 0.355 88 F C 0.517 176.481 175.800 0.272 0.000 1.119 88 F CA -0.958 57.206 58.000 0.273 0.000 1.007 88 F CB 0.754 39.909 39.000 0.259 0.000 1.194 88 F HN 0.591 nan 8.300 nan 0.000 0.443 89 G N 5.443 114.079 108.800 -0.275 0.000 2.343 89 G HA2 0.296 4.256 3.960 0.001 0.000 0.254 89 G HA3 0.296 4.256 3.960 0.001 0.000 0.254 89 G C -0.140 174.698 174.900 -0.103 0.000 1.277 89 G CA -0.255 44.798 45.100 -0.079 0.000 0.909 89 G HN 0.623 nan 8.290 nan 0.000 0.502 90 E N 1.450 121.724 120.200 0.124 0.000 3.371 90 E HA 0.370 4.721 4.350 0.001 0.000 0.263 90 E C 1.269 177.971 176.600 0.169 0.000 0.652 90 E CA -0.437 56.040 56.400 0.128 0.000 1.779 90 E CB -0.348 29.475 29.700 0.205 0.000 1.956 90 E HN 0.531 nan 8.360 nan 0.000 0.401 91 G N 1.257 110.176 108.800 0.198 0.000 2.474 91 G HA2 0.345 4.305 3.960 0.001 0.000 0.233 91 G HA3 0.345 4.305 3.960 0.001 0.000 0.233 91 G C 0.237 175.302 174.900 0.275 0.000 1.278 91 G CA 0.250 45.483 45.100 0.222 0.000 0.861 91 G HN 0.329 nan 8.290 nan 0.000 0.567 92 I N -1.700 119.070 120.570 0.333 0.000 2.865 92 I HA 0.868 5.039 4.170 0.001 0.000 0.302 92 I C -0.573 175.805 176.117 0.435 0.000 1.140 92 I CA -1.006 60.551 61.300 0.428 0.000 1.021 92 I CB 2.490 40.802 38.000 0.520 0.000 1.233 92 I HN 0.549 nan 8.210 nan 0.000 0.427 93 S N 1.969 117.794 115.700 0.207 0.000 2.565 93 S HA 0.439 4.910 4.470 0.001 0.000 0.269 93 S C -1.915 172.369 174.600 -0.528 0.000 1.153 93 S CA -0.677 57.376 58.200 -0.245 0.000 0.835 93 S CB 1.693 64.919 63.200 0.043 0.000 1.122 93 S HN 0.933 nan 8.310 nan 0.000 0.462 94 D N 1.119 120.978 120.400 -0.901 0.000 2.277 94 D HA 0.378 5.019 4.640 0.001 0.000 0.250 94 D C -0.812 175.314 176.300 -0.289 0.000 1.032 94 D CA -0.474 53.180 54.000 -0.576 0.000 0.947 94 D CB 0.940 41.360 40.800 -0.634 0.000 1.159 94 D HN 0.554 nan 8.370 nan 0.000 0.460 95 W N 2.141 123.209 121.300 -0.387 0.000 3.216 95 W HA 0.154 4.814 4.660 0.001 0.000 0.335 95 W C 0.036 176.403 176.519 -0.253 0.000 1.077 95 W CA -0.642 56.454 57.345 -0.415 0.000 1.252 95 W CB 0.888 30.131 29.460 -0.363 0.000 1.312 95 W HN 0.654 nan 8.180 nan 0.000 0.446 96 K N 2.062 122.000 120.400 -0.770 0.000 2.331 96 K HA -0.325 3.996 4.320 0.001 0.000 0.159 96 K C 0.755 177.226 176.600 -0.215 0.000 0.830 96 K CA 2.471 58.477 56.287 -0.469 0.000 0.383 96 K CB -1.424 30.843 32.500 -0.388 0.000 0.742 96 K HN 0.584 nan 8.250 nan 0.000 0.782 97 D N 2.085 122.421 120.400 -0.107 0.000 2.342 97 D HA 0.075 4.716 4.640 0.001 0.000 0.221 97 D C -0.022 176.279 176.300 0.001 0.000 1.101 97 D CA 0.301 54.274 54.000 -0.045 0.000 0.837 97 D CB 0.299 41.085 40.800 -0.024 0.000 0.938 97 D HN 0.103 nan 8.370 nan 0.000 0.508 98 K N 0.608 121.017 120.400 0.015 0.000 2.221 98 K HA 0.524 4.845 4.320 0.001 0.000 0.243 98 K C 0.152 176.797 176.600 0.075 0.000 0.968 98 K CA -0.819 55.515 56.287 0.078 0.000 0.846 98 K CB 2.315 34.878 32.500 0.106 0.000 1.141 98 K HN 0.020 nan 8.250 nan 0.000 0.434 99 I N 1.710 122.395 120.570 0.192 0.000 2.354 99 I HA 0.238 4.409 4.170 0.001 0.000 0.292 99 I C -0.019 176.329 176.117 0.385 0.000 0.989 99 I CA -1.198 60.273 61.300 0.285 0.000 1.188 99 I CB 1.634 39.892 38.000 0.431 0.000 1.342 99 I HN 0.012 nan 8.210 nan 0.000 0.457 100 V N 4.610 124.677 119.914 0.255 0.000 2.743 100 V HA 0.759 4.879 4.120 0.001 0.000 0.301 100 V C 0.551 176.875 176.094 0.382 0.000 1.057 100 V CA -0.322 62.108 62.300 0.216 0.000 1.006 100 V CB 1.675 33.540 31.823 0.070 0.000 1.024 100 V HN 0.964 nan 8.190 nan 0.000 0.473 101 G N 3.153 112.160 108.800 0.345 0.000 2.753 101 G HA2 0.631 4.592 3.960 0.001 0.000 0.295 101 G HA3 0.631 4.592 3.960 0.001 0.000 0.295 101 G C -1.371 173.700 174.900 0.284 0.000 1.437 101 G CA -0.666 44.719 45.100 0.474 0.000 1.094 101 G HN 0.573 nan 8.290 nan 0.000 0.540 102 L N 1.204 122.579 121.223 0.253 0.000 2.399 102 L HA 0.709 5.050 4.340 0.001 0.000 0.265 102 L C 0.940 177.968 176.870 0.264 0.000 1.089 102 L CA -0.796 54.162 54.840 0.196 0.000 0.802 102 L CB 1.795 43.948 42.059 0.156 0.000 1.180 102 L HN 0.660 nan 8.230 nan 0.000 0.454 103 T N -3.944 110.784 114.554 0.290 0.000 2.932 103 T HA 0.187 4.538 4.350 0.001 0.000 0.289 103 T C 0.227 175.190 174.700 0.438 0.000 1.039 103 T CA -0.722 61.575 62.100 0.328 0.000 1.024 103 T CB 1.785 70.790 68.868 0.227 0.000 1.090 103 T HN 0.675 nan 8.240 nan 0.000 0.496 104 W N 1.931 123.388 121.300 0.261 0.000 2.381 104 W HA 0.177 4.837 4.660 0.001 0.000 0.321 104 W C 1.621 178.246 176.519 0.178 0.000 1.196 104 W CA 1.152 58.624 57.345 0.212 0.000 1.304 104 W CB -0.197 29.367 29.460 0.173 0.000 1.166 104 W HN 0.718 nan 8.180 nan 0.000 0.473 105 K N -0.743 119.700 120.400 0.071 0.000 2.440 105 K HA 0.136 4.456 4.320 0.001 0.000 0.207 105 K C 1.222 177.774 176.600 -0.081 0.000 1.112 105 K CA -0.039 56.148 56.287 -0.166 0.000 1.036 105 K CB 0.235 32.502 32.500 -0.387 0.000 0.935 105 K HN 0.099 nan 8.250 nan 0.000 0.564 106 N N 1.008 119.717 118.700 0.015 0.000 2.515 106 N HA -0.064 4.677 4.740 0.001 0.000 0.185 106 N C 1.048 176.445 175.510 -0.188 0.000 1.109 106 N CA 1.001 54.047 53.050 -0.006 0.000 0.903 106 N CB 0.434 39.037 38.487 0.193 0.000 0.969 106 N HN 0.316 nan 8.380 nan 0.000 0.450 107 G N 1.229 109.801 108.800 -0.380 0.000 2.180 107 G HA2 -0.280 3.680 3.960 0.001 0.000 0.263 107 G HA3 -0.280 3.680 3.960 0.001 0.000 0.263 107 G C -0.176 174.123 174.900 -1.003 0.000 0.989 107 G CA 0.390 45.023 45.100 -0.778 0.000 0.692 107 G HN 0.308 nan 8.290 nan 0.000 0.526 108 L N 0.500 121.271 121.223 -0.753 0.000 2.334 108 L HA 0.879 5.220 4.340 0.001 0.000 0.276 108 L C 0.540 176.888 176.870 -0.871 0.000 1.014 108 L CA -0.049 54.335 54.840 -0.760 0.000 0.815 108 L CB 1.778 43.479 42.059 -0.596 0.000 1.268 108 L HN 0.364 nan 8.230 nan 0.000 0.428 109 G N 2.556 110.606 108.800 -1.250 0.000 2.498 109 G HA2 0.650 4.610 3.960 0.001 0.000 0.312 109 G HA3 0.650 4.610 3.960 0.001 0.000 0.312 109 G C -1.586 172.503 174.900 -1.350 0.000 1.230 109 G CA -0.447 43.828 45.100 -1.375 0.000 0.968 109 G HN 0.392 nan 8.290 nan 0.000 0.481 110 F N -0.558 119.173 119.950 -0.364 0.000 2.556 110 F HA 0.651 5.179 4.527 0.001 0.000 0.327 110 F C 0.038 175.540 175.800 -0.497 0.000 1.059 110 F CA -1.015 56.635 58.000 -0.584 0.000 0.953 110 F CB 2.775 41.030 39.000 -1.241 0.000 1.227 110 F HN 0.209 nan 8.300 nan 0.000 0.478 111 V N 1.541 121.265 119.914 -0.316 0.000 2.531 111 V HA 0.361 4.481 4.120 0.001 0.000 0.301 111 V C -1.145 174.768 176.094 -0.302 0.000 1.034 111 V CA -0.933 61.237 62.300 -0.217 0.000 0.865 111 V CB 1.702 33.480 31.823 -0.076 0.000 0.995 111 V HN 0.629 nan 8.190 nan 0.000 0.424 112 W N 1.718 123.084 121.300 0.109 0.000 2.736 112 W HA 0.445 5.105 4.660 0.001 0.000 0.335 112 W C -0.119 176.422 176.519 0.037 0.000 1.059 112 W CA -1.012 56.369 57.345 0.061 0.000 1.226 112 W CB 1.549 31.035 29.460 0.043 0.000 1.416 112 W HN 0.466 nan 8.180 nan 0.000 0.505 113 N N 2.437 121.276 118.700 0.232 0.000 2.365 113 N HA -0.079 4.661 4.740 0.001 0.000 0.265 113 N C 0.932 176.522 175.510 0.134 0.000 1.288 113 N CA 0.402 53.536 53.050 0.139 0.000 0.869 113 N CB 0.873 39.419 38.487 0.099 0.000 1.071 113 N HN 0.437 nan 8.380 nan 0.000 0.480 114 I N 2.537 123.157 120.570 0.082 0.000 2.614 114 I HA -0.184 3.987 4.170 0.001 0.000 0.258 114 I C 2.288 178.430 176.117 0.041 0.000 1.189 114 I CA 0.911 62.233 61.300 0.037 0.000 1.462 114 I CB 0.174 38.162 38.000 -0.019 0.000 1.092 114 I HN 0.472 nan 8.210 nan 0.000 0.442 115 R N 0.956 121.481 120.500 0.041 0.000 2.055 115 R HA -0.110 4.230 4.340 0.001 0.000 0.226 115 R C 1.398 177.707 176.300 0.015 0.000 1.135 115 R CA 1.912 58.028 56.100 0.027 0.000 0.959 115 R CB -0.065 30.248 30.300 0.022 0.000 0.854 115 R HN 0.521 nan 8.270 nan 0.000 0.431 116 N N -0.519 118.196 118.700 0.025 0.000 2.184 116 N HA 0.070 4.811 4.740 0.001 0.000 0.206 116 N C 0.137 175.655 175.510 0.013 0.000 1.151 116 N CA -0.024 53.034 53.050 0.013 0.000 0.878 116 N CB 0.154 38.653 38.487 0.020 0.000 1.014 116 N HN 0.117 nan 8.380 nan 0.000 0.512 117 L N -0.958 120.285 121.223 0.033 0.000 3.843 117 L HA -0.283 4.058 4.340 0.001 0.000 0.411 117 L C 0.170 177.109 176.870 0.115 0.000 1.205 117 L CA 0.404 55.252 54.840 0.013 0.000 0.945 117 L CB -1.564 40.401 42.059 -0.156 0.000 1.929 117 L HN 0.357 nan 8.230 nan 0.000 0.934 118 R N 1.316 121.915 120.500 0.166 0.000 2.389 118 R HA 0.212 4.553 4.340 0.001 0.000 0.295 118 R C 0.591 177.074 176.300 0.304 0.000 1.075 118 R CA -0.320 55.894 56.100 0.189 0.000 1.005 118 R CB 0.734 31.097 30.300 0.106 0.000 0.987 118 R HN 0.248 nan 8.270 nan 0.000 0.452 119 Q N 2.696 122.673 119.800 0.294 0.000 2.274 119 Q HA 0.013 4.353 4.340 0.001 0.000 0.280 119 Q C -0.190 175.834 176.000 0.040 0.000 1.047 119 Q CA -0.021 55.836 55.803 0.090 0.000 0.907 119 Q CB 0.953 29.694 28.738 0.006 0.000 1.171 119 Q HN 0.553 nan 8.270 nan 0.000 0.381 120 V N 3.750 123.661 119.914 -0.006 0.000 3.359 120 V HA 0.301 4.421 4.120 0.001 0.000 0.245 120 V C 0.425 176.520 176.094 0.001 0.000 1.247 120 V CA 0.374 62.681 62.300 0.013 0.000 1.145 120 V CB 0.489 32.325 31.823 0.022 0.000 0.906 120 V HN 0.806 nan 8.190 nan 0.000 0.464 121 R N -0.771 119.718 120.500 -0.018 0.000 2.634 121 R HA 0.553 4.893 4.340 0.001 0.000 0.263 121 R C -1.488 174.839 176.300 0.045 0.000 1.060 121 R CA -0.112 55.995 56.100 0.011 0.000 0.898 121 R CB 2.182 32.480 30.300 -0.003 0.000 1.253 121 R HN 0.210 nan 8.270 nan 0.000 0.461 122 S N 2.134 117.873 115.700 0.065 0.000 2.648 122 S HA 0.826 5.297 4.470 0.001 0.000 0.305 122 S C -1.371 173.317 174.600 0.147 0.000 1.094 122 S CA -0.596 57.611 58.200 0.012 0.000 0.983 122 S CB 1.217 64.375 63.200 -0.071 0.000 1.101 122 S HN 0.443 nan 8.310 nan 0.000 0.514 123 F N -0.902 118.930 119.950 -0.196 0.000 2.713 123 F HA 0.634 5.162 4.527 0.001 0.000 0.311 123 F C -1.096 174.636 175.800 -0.113 0.000 1.141 123 F CA -1.141 56.789 58.000 -0.115 0.000 0.939 123 F CB 1.151 40.105 39.000 -0.076 0.000 1.325 123 F HN 0.300 nan 8.300 nan 0.000 0.453 124 N N 0.877 119.574 118.700 -0.006 0.000 2.361 124 N HA 0.529 5.270 4.740 0.001 0.000 0.302 124 N C -1.753 173.770 175.510 0.022 0.000 1.074 124 N CA -0.442 52.506 53.050 -0.170 0.000 0.850 124 N CB 2.461 40.877 38.487 -0.119 0.000 1.228 124 N HN 0.841 nan 8.380 nan 0.000 0.491 125 Y N -1.798 118.437 120.300 -0.109 0.000 2.655 125 Y HA 0.485 5.036 4.550 0.001 0.000 0.336 125 Y C -1.088 174.784 175.900 -0.048 0.000 1.154 125 Y CA -1.261 56.819 58.100 -0.033 0.000 1.055 125 Y CB 0.731 39.197 38.460 0.010 0.000 1.295 125 Y HN 0.174 nan 8.280 nan 0.000 0.465 126 D N 0.777 121.259 120.400 0.138 0.000 2.264 126 D HA 0.481 5.122 4.640 0.001 0.000 0.249 126 D C 0.702 177.082 176.300 0.132 0.000 1.070 126 D CA 1.506 55.541 54.000 0.058 0.000 0.912 126 D CB 1.403 42.233 40.800 0.051 0.000 1.193 126 D HN 1.140 nan 8.370 nan 0.000 0.427 127 G N 1.654 110.478 108.800 0.040 0.000 2.593 127 G HA2 -0.203 3.758 3.960 0.001 0.000 0.237 127 G HA3 -0.203 3.758 3.960 0.001 0.000 0.237 127 G C -0.398 174.568 174.900 0.110 0.000 1.312 127 G CA -0.561 44.575 45.100 0.059 0.000 0.896 127 G HN 0.523 nan 8.290 nan 0.000 0.574 128 E N -0.173 120.121 120.200 0.157 0.000 2.250 128 E HA 0.541 4.891 4.350 0.001 0.000 0.265 128 E C 0.339 177.210 176.600 0.452 0.000 1.033 128 E CA -0.148 56.420 56.400 0.281 0.000 0.888 128 E CB 1.538 31.444 29.700 0.343 0.000 1.151 128 E HN 0.921 nan 8.360 nan 0.000 0.412 129 G N 0.842 109.998 108.800 0.592 0.000 2.557 129 G HA2 0.310 4.271 3.960 0.001 0.000 0.310 129 G HA3 0.310 4.271 3.960 0.001 0.000 0.310 129 G C -0.918 174.390 174.900 0.681 0.000 1.328 129 G CA -0.451 44.946 45.100 0.496 0.000 0.945 129 G HN 0.471 nan 8.290 nan 0.000 0.494 130 W N 2.636 124.014 121.300 0.129 0.000 3.549 130 W HA 0.508 5.169 4.660 0.001 0.000 0.260 130 W C 1.344 177.905 176.519 0.071 0.000 1.572 130 W CA 0.698 58.096 57.345 0.089 0.000 2.140 130 W CB -0.454 29.031 29.460 0.042 0.000 1.431 130 W HN 0.668 nan 8.180 nan 0.000 0.525 131 G N 0.529 109.524 108.800 0.324 0.000 2.461 131 G HA2 0.571 4.531 3.960 0.001 0.000 0.329 131 G HA3 0.571 4.531 3.960 0.001 0.000 0.329 131 G C -2.025 172.960 174.900 0.142 0.000 1.170 131 G CA -0.430 44.798 45.100 0.213 0.000 0.935 131 G HN 0.092 nan 8.290 nan 0.000 0.492 132 L N 0.044 121.354 121.223 0.144 0.000 2.543 132 L HA 0.727 5.067 4.340 0.001 0.000 0.265 132 L C -0.064 176.886 176.870 0.132 0.000 0.945 132 L CA -0.213 54.690 54.840 0.104 0.000 0.869 132 L CB 2.045 44.174 42.059 0.116 0.000 1.294 132 L HN 0.797 nan 8.230 nan 0.000 0.405 133 T N 1.570 116.182 114.554 0.096 0.000 2.565 133 T HA 0.800 5.150 4.350 0.001 0.000 0.266 133 T C -1.761 173.017 174.700 0.130 0.000 0.905 133 T CA 0.318 62.489 62.100 0.118 0.000 1.122 133 T CB 0.790 69.731 68.868 0.122 0.000 1.437 133 T HN 1.019 nan 8.240 nan 0.000 0.506 134 H N -0.048 119.041 119.070 0.032 0.000 3.068 134 H HA 0.667 5.223 4.556 0.001 0.000 0.342 134 H C -0.782 174.400 175.328 -0.245 0.000 1.284 134 H CA -0.911 55.124 56.048 -0.021 0.000 1.181 134 H CB 0.394 30.251 29.762 0.159 0.000 1.898 134 H HN 0.648 nan 8.280 nan 0.000 0.540 135 N N 0.417 118.883 118.700 -0.389 0.000 2.992 135 N HA 0.195 4.936 4.740 0.001 0.000 0.338 135 N C -0.027 175.399 175.510 -0.141 0.000 1.376 135 N CA -0.435 52.075 53.050 -0.899 0.000 0.778 135 N CB -0.011 37.487 38.487 -1.650 0.000 1.232 135 N HN 0.626 nan 8.380 nan 0.000 0.581 136 D N -1.198 119.087 120.400 -0.191 0.000 2.269 136 D HA -0.123 4.517 4.640 0.001 0.000 0.208 136 D C 1.224 177.565 176.300 0.070 0.000 0.963 136 D CA 1.102 55.077 54.000 -0.042 0.000 0.864 136 D CB 0.034 40.796 40.800 -0.062 0.000 0.936 136 D HN 0.730 nan 8.370 nan 0.000 0.505 137 Q N -1.012 118.770 119.800 -0.030 0.000 2.280 137 Q HA 0.000 4.341 4.340 0.001 0.000 0.244 137 Q C -0.291 175.406 176.000 -0.505 0.000 0.847 137 Q CA 0.099 55.770 55.803 -0.220 0.000 0.945 137 Q CB 0.499 28.911 28.738 -0.543 0.000 1.115 137 Q HN 0.164 nan 8.270 nan 0.000 0.513 138 Y N 0.416 120.732 120.300 0.026 0.000 2.570 138 Y HA 0.521 5.071 4.550 0.001 0.000 0.345 138 Y C -0.322 175.456 175.900 -0.204 0.000 1.014 138 Y CA -1.145 56.872 58.100 -0.138 0.000 1.063 138 Y CB 1.608 40.124 38.460 0.094 0.000 1.272 138 Y HN -0.110 nan 8.280 nan 0.000 0.477 139 L N 3.270 124.404 121.223 -0.148 0.000 2.371 139 L HA 0.470 4.811 4.340 0.001 0.000 0.272 139 L C -0.699 176.089 176.870 -0.138 0.000 1.124 139 L CA -0.165 54.590 54.840 -0.141 0.000 0.816 139 L CB 0.602 42.504 42.059 -0.261 0.000 1.129 139 L HN 0.464 nan 8.230 nan 0.000 0.448 140 I N 4.282 124.752 120.570 -0.165 0.000 2.478 140 I HA 0.401 4.571 4.170 0.001 0.000 0.287 140 I C -0.341 175.663 176.117 -0.189 0.000 1.042 140 I CA -0.437 60.662 61.300 -0.334 0.000 1.067 140 I CB 1.819 39.586 38.000 -0.390 0.000 1.233 140 I HN 0.613 nan 8.210 nan 0.000 0.431 141 M N 4.911 124.391 119.600 -0.199 0.000 2.535 141 M HA 0.754 5.235 4.480 0.001 0.000 0.314 141 M C -0.850 175.397 176.300 -0.089 0.000 1.153 141 M CA -0.271 54.963 55.300 -0.111 0.000 0.924 141 M CB 2.413 34.932 32.600 -0.134 0.000 1.710 141 M HN 0.534 nan 8.290 nan 0.000 0.451 142 S N 0.375 116.061 115.700 -0.023 0.000 2.621 142 S HA 0.720 5.191 4.470 0.001 0.000 0.302 142 S C -0.687 173.883 174.600 -0.051 0.000 1.093 142 S CA -0.254 57.925 58.200 -0.035 0.000 1.017 142 S CB 1.671 64.889 63.200 0.030 0.000 1.077 142 S HN 0.872 nan 8.310 nan 0.000 0.517 143 D N -1.774 118.452 120.400 -0.290 0.000 2.672 143 D HA 0.251 4.892 4.640 0.001 0.000 0.287 143 D C 1.059 176.512 176.300 -1.412 0.000 1.559 143 D CA 0.141 53.818 54.000 -0.539 0.000 0.796 143 D CB -0.461 40.232 40.800 -0.179 0.000 1.181 143 D HN 1.243 nan 8.370 nan 0.000 0.458 144 G N 0.383 108.145 108.800 -1.731 0.000 2.184 144 G HA2 -0.301 3.659 3.960 0.001 0.000 0.264 144 G HA3 -0.301 3.659 3.960 0.001 0.000 0.264 144 G C 0.594 175.067 174.900 -0.712 0.000 0.975 144 G CA 0.898 44.834 45.100 -1.940 0.000 0.642 144 G HN 0.940 nan 8.290 nan 0.000 0.536 145 T N -2.347 111.931 114.554 -0.460 0.000 2.884 145 T HA 0.664 5.015 4.350 0.001 0.000 0.277 145 T C -1.580 173.032 174.700 -0.147 0.000 0.976 145 T CA -0.996 60.976 62.100 -0.214 0.000 0.956 145 T CB 2.263 71.043 68.868 -0.147 0.000 1.113 145 T HN -0.087 nan 8.240 nan 0.000 0.554 146 P HA 0.227 nan 4.420 nan 0.000 0.245 146 P C -0.412 176.867 177.300 -0.035 0.000 1.212 146 P CA -0.057 63.017 63.100 -0.044 0.000 0.774 146 P CB 0.026 31.716 31.700 -0.018 0.000 0.999 147 V N 1.443 121.326 119.914 -0.051 0.000 2.350 147 V HA 0.208 4.329 4.120 0.001 0.000 0.276 147 V C 0.190 176.262 176.094 -0.036 0.000 1.028 147 V CA -0.507 61.776 62.300 -0.027 0.000 0.860 147 V CB 1.137 32.945 31.823 -0.025 0.000 0.990 147 V HN -0.032 nan 8.190 nan 0.000 0.453 148 L N 6.226 127.447 121.223 -0.004 0.000 2.322 148 L HA 0.634 4.975 4.340 0.001 0.000 0.279 148 L C 0.204 177.065 176.870 -0.014 0.000 1.036 148 L CA -0.606 54.210 54.840 -0.039 0.000 0.807 148 L CB 1.444 43.474 42.059 -0.050 0.000 1.226 148 L HN 0.518 nan 8.230 nan 0.000 0.433 149 R N 2.767 123.209 120.500 -0.097 0.000 2.343 149 R HA 0.436 4.777 4.340 0.001 0.000 0.320 149 R C -1.332 174.864 176.300 -0.173 0.000 0.956 149 R CA -0.528 55.544 56.100 -0.046 0.000 0.836 149 R CB 1.378 31.647 30.300 -0.052 0.000 1.151 149 R HN 0.329 nan 8.270 nan 0.000 0.450 150 F N 3.629 123.485 119.950 -0.157 0.000 2.421 150 F HA 0.202 4.730 4.527 0.001 0.000 0.358 150 F C 0.089 175.741 175.800 -0.247 0.000 1.115 150 F CA -0.729 57.119 58.000 -0.254 0.000 1.160 150 F CB 0.605 39.294 39.000 -0.518 0.000 1.123 150 F HN 0.111 nan 8.300 nan 0.000 0.508 151 L N 3.664 124.862 121.223 -0.042 0.000 2.309 151 L HA 0.219 4.560 4.340 0.001 0.000 0.282 151 L C 0.171 177.050 176.870 0.015 0.000 1.036 151 L CA -0.670 54.131 54.840 -0.065 0.000 0.806 151 L CB 0.917 42.883 42.059 -0.155 0.000 1.220 151 L HN 0.508 nan 8.230 nan 0.000 0.429 152 D N 5.384 125.787 120.400 0.003 0.000 2.401 152 D HA 0.047 4.688 4.640 0.001 0.000 0.254 152 D C -1.718 174.432 176.300 -0.250 0.000 1.192 152 D CA -1.117 52.875 54.000 -0.013 0.000 0.885 152 D CB 1.786 42.581 40.800 -0.008 0.000 1.147 152 D HN 0.311 nan 8.370 nan 0.000 0.478 153 P HA -0.070 nan 4.420 nan 0.000 0.226 153 P C 0.658 177.673 177.300 -0.476 0.000 1.153 153 P CA 0.917 63.579 63.100 -0.730 0.000 0.777 153 P CB 0.600 31.459 31.700 -1.402 0.000 0.794 154 E N 0.185 120.213 120.200 -0.286 0.000 2.038 154 E HA -0.075 4.276 4.350 0.001 0.000 0.190 154 E C 2.295 178.789 176.600 -0.177 0.000 0.967 154 E CA 1.373 57.663 56.400 -0.182 0.000 0.816 154 E CB -0.416 29.223 29.700 -0.102 0.000 0.784 154 E HN 0.190 nan 8.360 nan 0.000 0.456 155 S N 0.753 116.367 115.700 -0.142 0.000 2.447 155 S HA -0.108 4.362 4.470 0.001 0.000 0.233 155 S C 1.228 175.731 174.600 -0.161 0.000 1.006 155 S CA 0.463 58.595 58.200 -0.113 0.000 0.957 155 S CB -0.373 62.785 63.200 -0.068 0.000 0.773 155 S HN 0.358 nan 8.310 nan 0.000 0.507 156 L N 1.495 122.562 121.223 -0.261 0.000 3.737 156 L HA -0.161 4.179 4.340 0.001 0.000 0.418 156 L C 0.246 177.019 176.870 -0.161 0.000 1.216 156 L CA 0.605 55.214 54.840 -0.384 0.000 0.915 156 L CB -2.401 39.211 42.059 -0.746 0.000 1.834 156 L HN 0.741 nan 8.230 nan 0.000 0.943 157 T N -3.741 110.763 114.554 -0.084 0.000 2.908 157 T HA 0.759 5.110 4.350 0.001 0.000 0.290 157 T C -2.639 172.046 174.700 -0.024 0.000 1.034 157 T CA -2.179 59.914 62.100 -0.012 0.000 1.010 157 T CB 2.411 71.279 68.868 0.000 0.000 1.068 157 T HN -0.189 nan 8.240 nan 0.000 0.481 158 P HA 0.304 nan 4.420 nan 0.000 0.269 158 P C 0.099 177.379 177.300 -0.033 0.000 1.209 158 P CA -0.374 62.715 63.100 -0.018 0.000 0.776 158 P CB 0.846 32.546 31.700 0.000 0.000 0.876 159 V N 1.918 121.789 119.914 -0.071 0.000 3.431 159 V HA 0.228 4.349 4.120 0.001 0.000 0.255 159 V C 0.808 176.816 176.094 -0.143 0.000 1.403 159 V CA 0.682 62.922 62.300 -0.101 0.000 1.101 159 V CB 0.177 31.941 31.823 -0.100 0.000 0.891 159 V HN 0.518 nan 8.190 nan 0.000 0.446 160 R N 0.175 120.584 120.500 -0.151 0.000 2.710 160 R HA 0.547 4.888 4.340 0.001 0.000 0.270 160 R C -1.285 175.031 176.300 0.026 0.000 1.021 160 R CA 0.091 56.102 56.100 -0.149 0.000 0.889 160 R CB 2.250 32.324 30.300 -0.378 0.000 1.243 160 R HN 0.256 nan 8.270 nan 0.000 0.464 161 T N 0.810 115.382 114.554 0.030 0.000 2.907 161 T HA 0.671 5.022 4.350 0.001 0.000 0.292 161 T C 0.040 174.803 174.700 0.104 0.000 1.043 161 T CA -0.860 61.308 62.100 0.113 0.000 1.003 161 T CB 1.278 70.175 68.868 0.049 0.000 1.084 161 T HN 0.560 nan 8.240 nan 0.000 0.483 162 I N -1.238 119.434 120.570 0.170 0.000 2.785 162 I HA 0.732 4.903 4.170 0.001 0.000 0.302 162 I C -0.805 175.357 176.117 0.075 0.000 1.069 162 I CA -1.069 60.301 61.300 0.118 0.000 1.045 162 I CB 2.503 40.608 38.000 0.176 0.000 1.236 162 I HN 0.523 nan 8.210 nan 0.000 0.429 163 T N 3.894 118.475 114.554 0.045 0.000 2.767 163 T HA 0.456 4.807 4.350 0.001 0.000 0.284 163 T C -0.172 174.544 174.700 0.026 0.000 0.973 163 T CA -0.427 61.688 62.100 0.026 0.000 0.996 163 T CB 1.550 70.427 68.868 0.015 0.000 0.927 163 T HN 0.392 nan 8.240 nan 0.000 0.456 164 V N 4.965 124.889 119.914 0.018 0.000 2.383 164 V HA 0.548 4.668 4.120 0.001 0.000 0.275 164 V C 0.680 176.777 176.094 0.006 0.000 1.036 164 V CA -0.589 61.719 62.300 0.015 0.000 0.889 164 V CB 0.943 32.773 31.823 0.012 0.000 0.985 164 V HN 1.101 nan 8.190 nan 0.000 0.459 165 T N 2.290 116.845 114.554 0.001 0.000 2.893 165 T HA 0.863 5.213 4.350 0.001 0.000 0.291 165 T C -0.550 174.132 174.700 -0.031 0.000 1.028 165 T CA -0.624 61.474 62.100 -0.003 0.000 0.995 165 T CB 2.068 70.941 68.868 0.007 0.000 1.051 165 T HN 0.925 nan 8.240 nan 0.000 0.470 166 A N 2.506 125.300 122.820 -0.043 0.000 2.343 166 A HA 0.650 4.970 4.320 0.001 0.000 0.316 166 A C 0.357 177.881 177.584 -0.099 0.000 1.104 166 A CA -0.834 51.115 52.037 -0.147 0.000 0.768 166 A CB 0.030 18.930 19.000 -0.167 0.000 1.213 166 A HN 1.109 nan 8.150 nan 0.000 0.456 167 H N 1.437 120.510 119.070 0.006 0.000 2.594 167 H HA -0.274 4.283 4.556 0.001 0.000 0.316 167 H C 1.539 176.871 175.328 0.006 0.000 1.107 167 H CA 1.695 57.746 56.048 0.005 0.000 1.133 167 H CB -1.493 28.271 29.762 0.004 0.000 1.459 167 H HN 2.170 nan 8.280 nan 0.000 0.411 168 G N -0.713 108.132 108.800 0.076 0.000 2.284 168 G HA2 -0.345 3.615 3.960 0.001 0.000 0.261 168 G HA3 -0.345 3.615 3.960 0.001 0.000 0.261 168 G C 0.251 175.181 174.900 0.049 0.000 0.997 168 G CA 0.665 45.797 45.100 0.054 0.000 0.621 168 G HN 0.466 nan 8.290 nan 0.000 0.534 169 E N 1.880 122.119 120.200 0.065 0.000 2.316 169 E HA 0.308 4.659 4.350 0.001 0.000 0.275 169 E C 0.711 177.331 176.600 0.033 0.000 1.029 169 E CA -0.214 56.217 56.400 0.051 0.000 0.871 169 E CB 0.551 30.293 29.700 0.069 0.000 1.022 169 E HN 0.611 nan 8.360 nan 0.000 0.418 170 E N 1.547 121.763 120.200 0.026 0.000 2.452 170 E HA -0.026 4.325 4.350 0.001 0.000 0.261 170 E C -0.276 176.335 176.600 0.019 0.000 0.987 170 E CA -0.022 56.389 56.400 0.017 0.000 0.926 170 E CB 0.582 30.290 29.700 0.013 0.000 0.934 170 E HN 0.098 nan 8.360 nan 0.000 0.452 171 L N 6.828 128.058 121.223 0.012 0.000 2.313 171 L HA 0.330 4.670 4.340 0.001 0.000 0.273 171 L C -2.397 174.480 176.870 0.013 0.000 1.028 171 L CA -1.971 52.879 54.840 0.017 0.000 0.871 171 L CB 0.819 42.884 42.059 0.011 0.000 1.242 171 L HN 0.315 nan 8.230 nan 0.000 0.434 172 P HA 0.277 nan 4.420 nan 0.000 0.302 172 P C -0.660 176.662 177.300 0.037 0.000 1.307 172 P CA 0.066 63.166 63.100 0.000 0.000 0.754 172 P CB 0.730 32.439 31.700 0.015 0.000 1.298 173 E N -2.928 117.276 120.200 0.007 0.000 3.547 173 E HA -0.143 4.207 4.350 0.001 0.000 0.309 173 E C -0.240 176.479 176.600 0.198 0.000 0.855 173 E CA 0.506 57.013 56.400 0.179 0.000 1.122 173 E CB -2.542 27.384 29.700 0.376 0.000 1.569 173 E HN 0.442 nan 8.360 nan 0.000 0.429 174 L N 1.085 122.318 121.223 0.018 0.000 2.534 174 L HA 0.104 4.445 4.340 0.001 0.000 0.271 174 L C 1.410 178.396 176.870 0.193 0.000 1.178 174 L CA 0.417 55.306 54.840 0.081 0.000 0.907 174 L CB 0.070 42.131 42.059 0.003 0.000 1.164 174 L HN 0.051 nan 8.230 nan 0.000 0.482 175 N N 1.539 120.430 118.700 0.319 0.000 2.677 175 N HA 0.118 4.859 4.740 0.001 0.000 0.256 175 N C -0.146 175.527 175.510 0.271 0.000 1.441 175 N CA -0.473 52.840 53.050 0.437 0.000 0.902 175 N CB 0.418 39.155 38.487 0.415 0.000 1.540 175 N HN 0.425 nan 8.380 nan 0.000 0.382 176 E N 0.974 121.300 120.200 0.209 0.000 2.502 176 E HA 0.015 4.366 4.350 0.001 0.000 0.261 176 E C -0.610 176.100 176.600 0.183 0.000 0.974 176 E CA 0.492 57.005 56.400 0.188 0.000 0.936 176 E CB 0.183 29.985 29.700 0.169 0.000 0.926 176 E HN 0.305 nan 8.360 nan 0.000 0.459 177 L N 2.805 124.137 121.223 0.181 0.000 2.319 177 L HA 0.500 4.841 4.340 0.001 0.000 0.267 177 L C -0.208 176.765 176.870 0.171 0.000 1.011 177 L CA -0.798 54.139 54.840 0.161 0.000 0.818 177 L CB 1.898 44.033 42.059 0.126 0.000 1.316 177 L HN 0.422 nan 8.230 nan 0.000 0.432 178 E N 0.812 121.099 120.200 0.145 0.000 2.335 178 E HA 0.202 4.553 4.350 0.001 0.000 0.280 178 E C -1.917 174.675 176.600 -0.014 0.000 0.918 178 E CA -0.522 55.934 56.400 0.094 0.000 0.765 178 E CB 1.701 31.452 29.700 0.085 0.000 1.218 178 E HN 0.458 nan 8.360 nan 0.000 0.425 179 W N 6.566 127.744 121.300 -0.204 0.000 2.335 179 W HA 0.587 5.248 4.660 0.001 0.000 0.306 179 W C -1.410 174.780 176.519 -0.549 0.000 1.216 179 W CA -0.421 56.750 57.345 -0.290 0.000 1.237 179 W CB 0.828 30.159 29.460 -0.215 0.000 1.243 179 W HN 0.329 nan 8.180 nan 0.000 0.493 180 V N 6.898 126.099 119.914 -1.189 0.000 2.569 180 V HA 0.030 4.150 4.120 0.001 0.000 0.301 180 V C -0.033 175.293 176.094 -1.280 0.000 1.044 180 V CA -0.868 60.395 62.300 -1.729 0.000 0.874 180 V CB 1.488 31.738 31.823 -2.623 0.000 1.002 180 V HN 0.573 nan 8.190 nan 0.000 0.424 181 D N 4.117 124.061 120.400 -0.760 0.000 2.810 181 D HA -0.177 4.464 4.640 0.001 0.000 0.224 181 D C 1.320 177.410 176.300 -0.349 0.000 1.222 181 D CA 2.183 55.979 54.000 -0.339 0.000 0.698 181 D CB -0.872 39.764 40.800 -0.273 0.000 0.961 181 D HN 1.543 nan 8.370 nan 0.000 0.403 182 G N 0.285 108.854 108.800 -0.384 0.000 2.184 182 G HA2 -0.314 3.646 3.960 0.001 0.000 0.264 182 G HA3 -0.314 3.646 3.960 0.001 0.000 0.264 182 G C 0.189 174.601 174.900 -0.814 0.000 0.975 182 G CA 0.695 45.590 45.100 -0.343 0.000 0.642 182 G HN 0.574 nan 8.290 nan 0.000 0.536 183 E N -0.865 118.635 120.200 -1.167 0.000 2.336 183 E HA 0.630 4.980 4.350 0.001 0.000 0.267 183 E C -0.367 175.705 176.600 -0.879 0.000 0.906 183 E CA -1.134 54.770 56.400 -0.826 0.000 0.781 183 E CB 1.893 31.400 29.700 -0.321 0.000 1.261 183 E HN 0.195 nan 8.360 nan 0.000 0.436 184 I N 2.443 122.804 120.570 -0.347 0.000 2.301 184 I HA 0.189 4.360 4.170 0.001 0.000 0.292 184 I C -0.722 175.480 176.117 0.141 0.000 1.046 184 I CA -0.339 60.924 61.300 -0.063 0.000 1.282 184 I CB 0.124 38.163 38.000 0.065 0.000 1.409 184 I HN 0.216 nan 8.210 nan 0.000 0.484 185 F N 5.020 124.862 119.950 -0.181 0.000 2.404 185 F HA 0.635 5.162 4.527 0.001 0.000 0.339 185 F C 0.522 176.292 175.800 -0.050 0.000 1.105 185 F CA -1.231 56.684 58.000 -0.143 0.000 1.087 185 F CB 1.571 40.464 39.000 -0.177 0.000 1.143 185 F HN 0.392 nan 8.300 nan 0.000 0.491 186 A N 3.859 126.745 122.820 0.111 0.000 2.381 186 A HA 0.515 4.836 4.320 0.001 0.000 0.299 186 A C -0.543 177.092 177.584 0.086 0.000 1.049 186 A CA -0.926 51.173 52.037 0.104 0.000 0.715 186 A CB 0.666 19.714 19.000 0.080 0.000 1.222 186 A HN 0.788 nan 8.150 nan 0.000 0.428 187 N N 0.193 118.966 118.700 0.122 0.000 2.454 187 N HA 0.330 5.070 4.740 0.001 0.000 0.254 187 N C -0.573 175.039 175.510 0.169 0.000 1.228 187 N CA 0.480 53.607 53.050 0.128 0.000 0.900 187 N CB 0.863 39.438 38.487 0.147 0.000 1.089 187 N HN 0.345 nan 8.380 nan 0.000 0.449 188 V N 3.277 123.290 119.914 0.164 0.000 2.313 188 V HA 0.120 4.240 4.120 0.001 0.000 0.278 188 V C -0.379 175.889 176.094 0.291 0.000 1.017 188 V CA -0.743 61.679 62.300 0.204 0.000 0.823 188 V CB 0.127 32.024 31.823 0.123 0.000 1.010 188 V HN 0.689 nan 8.190 nan 0.000 0.443 189 W N 5.983 127.396 121.300 0.187 0.000 2.343 189 W HA 0.123 4.784 4.660 0.001 0.000 0.337 189 W C 1.049 177.652 176.519 0.139 0.000 1.320 189 W CA 0.269 57.726 57.345 0.187 0.000 1.290 189 W CB 0.208 29.856 29.460 0.313 0.000 1.206 189 W HN 0.766 nan 8.180 nan 0.000 0.565 190 Q N 1.438 121.063 119.800 -0.292 0.000 2.493 190 Q HA -0.218 4.122 4.340 0.001 0.000 0.260 190 Q C 0.112 176.037 176.000 -0.125 0.000 0.905 190 Q CA 1.541 57.096 55.803 -0.413 0.000 1.140 190 Q CB -2.356 25.971 28.738 -0.685 0.000 1.435 190 Q HN 0.737 nan 8.270 nan 0.000 0.581 191 T N -3.539 111.011 114.554 -0.007 0.000 2.901 191 T HA 0.616 4.966 4.350 0.001 0.000 0.293 191 T C 0.418 175.156 174.700 0.063 0.000 1.084 191 T CA -0.787 61.331 62.100 0.029 0.000 1.008 191 T CB 1.356 70.251 68.868 0.045 0.000 1.170 191 T HN -0.000 nan 8.240 nan 0.000 0.509 192 N N 0.952 119.691 118.700 0.065 0.000 2.376 192 N HA 0.260 5.000 4.740 0.001 0.000 0.249 192 N C -0.643 174.905 175.510 0.063 0.000 1.140 192 N CA -0.129 52.971 53.050 0.084 0.000 0.870 192 N CB 0.253 38.800 38.487 0.100 0.000 1.124 192 N HN 0.521 nan 8.380 nan 0.000 0.505 193 K N 0.231 120.661 120.400 0.051 0.000 2.328 193 K HA 0.598 4.918 4.320 0.001 0.000 0.246 193 K C -0.495 176.113 176.600 0.014 0.000 0.955 193 K CA -0.515 55.791 56.287 0.031 0.000 0.817 193 K CB 2.448 34.965 32.500 0.028 0.000 1.208 193 K HN -0.085 nan 8.250 nan 0.000 0.432 194 I N 2.184 122.735 120.570 -0.033 0.000 2.498 194 I HA 0.277 4.447 4.170 0.001 0.000 0.290 194 I C -0.518 175.500 176.117 -0.164 0.000 1.032 194 I CA -1.252 60.000 61.300 -0.080 0.000 1.073 194 I CB 1.990 39.919 38.000 -0.118 0.000 1.251 194 I HN 0.318 nan 8.210 nan 0.000 0.426 195 V N 3.346 123.176 119.914 -0.141 0.000 2.612 195 V HA 0.625 4.746 4.120 0.001 0.000 0.301 195 V C -0.205 175.731 176.094 -0.263 0.000 1.046 195 V CA -0.799 61.398 62.300 -0.171 0.000 0.946 195 V CB 1.514 33.289 31.823 -0.079 0.000 1.003 195 V HN 0.685 nan 8.190 nan 0.000 0.459 196 R N 3.963 124.282 120.500 -0.300 0.000 2.295 196 R HA 0.683 5.024 4.340 0.001 0.000 0.324 196 R C -1.125 175.113 176.300 -0.104 0.000 0.968 196 R CA -0.486 55.460 56.100 -0.258 0.000 0.837 196 R CB 1.703 31.811 30.300 -0.320 0.000 1.133 196 R HN 0.736 nan 8.270 nan 0.000 0.450 197 I N 1.969 122.513 120.570 -0.043 0.000 2.378 197 I HA 0.084 4.255 4.170 0.001 0.000 0.291 197 I C 0.001 176.108 176.117 -0.018 0.000 0.992 197 I CA -0.881 60.408 61.300 -0.017 0.000 1.154 197 I CB 1.701 39.710 38.000 0.016 0.000 1.315 197 I HN 0.436 nan 8.210 nan 0.000 0.448 198 D N 9.481 129.877 120.400 -0.007 0.000 2.401 198 D HA 0.054 4.694 4.640 0.001 0.000 0.254 198 D C -1.492 174.847 176.300 0.066 0.000 1.192 198 D CA -1.905 52.099 54.000 0.006 0.000 0.885 198 D CB 1.366 42.172 40.800 0.010 0.000 1.147 198 D HN 0.267 nan 8.370 nan 0.000 0.478 199 P HA -0.066 nan 4.420 nan 0.000 0.229 199 P C 0.666 178.087 177.300 0.201 0.000 1.160 199 P CA 0.799 64.069 63.100 0.283 0.000 0.777 199 P CB 0.521 32.515 31.700 0.490 0.000 0.814 200 E N 0.048 120.313 120.200 0.108 0.000 2.046 200 E HA -0.081 4.270 4.350 0.001 0.000 0.190 200 E C 1.985 178.600 176.600 0.025 0.000 0.982 200 E CA 1.999 58.421 56.400 0.037 0.000 0.800 200 E CB -0.403 29.316 29.700 0.032 0.000 0.756 200 E HN 0.359 nan 8.360 nan 0.000 0.449 201 T N -3.756 110.821 114.554 0.039 0.000 3.015 201 T HA 0.276 4.626 4.350 0.001 0.000 0.250 201 T C 1.640 176.361 174.700 0.035 0.000 1.057 201 T CA 0.455 62.571 62.100 0.027 0.000 1.066 201 T CB 0.768 69.648 68.868 0.019 0.000 0.959 201 T HN 0.299 nan 8.240 nan 0.000 0.488 202 G N 1.911 110.744 108.800 0.055 0.000 2.179 202 G HA2 -0.237 3.724 3.960 0.001 0.000 0.260 202 G HA3 -0.237 3.724 3.960 0.001 0.000 0.260 202 G C -0.018 174.898 174.900 0.027 0.000 0.977 202 G CA 0.144 45.278 45.100 0.056 0.000 0.641 202 G HN 0.671 nan 8.290 nan 0.000 0.533 203 K N 0.548 120.956 120.400 0.014 0.000 2.218 203 K HA 0.502 4.822 4.320 0.001 0.000 0.276 203 K C 0.516 177.103 176.600 -0.022 0.000 1.022 203 K CA -0.661 55.622 56.287 -0.007 0.000 0.946 203 K CB 2.243 34.739 32.500 -0.008 0.000 1.000 203 K HN 0.030 nan 8.250 nan 0.000 0.468 204 V N 2.888 122.774 119.914 -0.047 0.000 2.521 204 V HA -0.045 4.075 4.120 0.001 0.000 0.286 204 V C 1.549 177.603 176.094 -0.066 0.000 1.034 204 V CA 0.406 62.666 62.300 -0.066 0.000 1.045 204 V CB 0.727 32.493 31.823 -0.095 0.000 0.974 204 V HN 1.015 nan 8.190 nan 0.000 0.480 205 T N 0.726 115.249 114.554 -0.051 0.000 3.023 205 T HA 0.458 4.809 4.350 0.001 0.000 0.253 205 T C 0.582 175.286 174.700 0.006 0.000 1.038 205 T CA 0.399 62.484 62.100 -0.025 0.000 0.962 205 T CB 0.434 69.293 68.868 -0.015 0.000 1.018 205 T HN 1.043 nan 8.240 nan 0.000 0.521 206 G N 0.364 109.156 108.800 -0.014 0.000 2.579 206 G HA2 0.576 4.536 3.960 0.001 0.000 0.292 206 G HA3 0.576 4.536 3.960 0.001 0.000 0.292 206 G C -2.100 172.792 174.900 -0.013 0.000 1.484 206 G CA -0.969 44.178 45.100 0.078 0.000 0.813 206 G HN 0.324 nan 8.290 nan 0.000 0.515 207 I N 0.884 121.496 120.570 0.069 0.000 2.478 207 I HA 0.409 4.580 4.170 0.001 0.000 0.287 207 I C -0.627 175.529 176.117 0.065 0.000 1.042 207 I CA -0.676 60.626 61.300 0.003 0.000 1.067 207 I CB 2.186 40.188 38.000 0.002 0.000 1.233 207 I HN 0.251 nan 8.210 nan 0.000 0.431 208 I N 5.057 125.605 120.570 -0.036 0.000 2.336 208 I HA 0.267 4.438 4.170 0.001 0.000 0.292 208 I C -0.544 175.596 176.117 0.039 0.000 0.991 208 I CA -0.287 61.020 61.300 0.012 0.000 1.227 208 I CB 1.367 39.301 38.000 -0.110 0.000 1.366 208 I HN 0.467 nan 8.210 nan 0.000 0.466 209 D N 7.207 127.666 120.400 0.097 0.000 2.381 209 D HA 0.351 4.992 4.640 0.001 0.000 0.235 209 D C -0.052 176.348 176.300 0.168 0.000 1.068 209 D CA -0.281 53.779 54.000 0.101 0.000 0.832 209 D CB 1.348 42.199 40.800 0.084 0.000 1.101 209 D HN 0.427 nan 8.370 nan 0.000 0.515 210 L N 2.857 124.145 121.223 0.108 0.000 2.857 210 L HA 0.244 4.585 4.340 0.001 0.000 0.249 210 L C 0.610 177.511 176.870 0.052 0.000 1.172 210 L CA -0.542 54.322 54.840 0.040 0.000 0.980 210 L CB -0.182 41.848 42.059 -0.048 0.000 1.299 210 L HN 0.258 nan 8.230 nan 0.000 0.535 211 N N 1.919 120.680 118.700 0.101 0.000 2.359 211 N HA 0.010 4.750 4.740 0.001 0.000 0.261 211 N C 1.263 176.831 175.510 0.096 0.000 1.267 211 N CA 1.483 54.583 53.050 0.082 0.000 0.864 211 N CB 1.136 39.665 38.487 0.070 0.000 1.063 211 N HN 0.442 nan 8.380 nan 0.000 0.474 212 G N 2.397 111.220 108.800 0.039 0.000 2.213 212 G HA2 -0.305 3.656 3.960 0.001 0.000 0.236 212 G HA3 -0.305 3.656 3.960 0.001 0.000 0.236 212 G C 0.993 175.875 174.900 -0.030 0.000 0.991 212 G CA 0.223 45.341 45.100 0.029 0.000 0.629 212 G HN 0.580 nan 8.290 nan 0.000 0.517 213 I N 0.872 121.348 120.570 -0.157 0.000 2.248 213 I HA -0.121 4.050 4.170 0.001 0.000 0.248 213 I C 2.592 178.492 176.117 -0.362 0.000 1.107 213 I CA 1.819 62.839 61.300 -0.467 0.000 1.373 213 I CB -0.063 37.408 38.000 -0.882 0.000 1.055 213 I HN 0.388 nan 8.210 nan 0.000 0.418 214 L N 0.237 121.289 121.223 -0.285 0.000 2.275 214 L HA -0.148 4.192 4.340 0.001 0.000 0.215 214 L C 2.512 179.294 176.870 -0.147 0.000 1.119 214 L CA 0.912 55.568 54.840 -0.307 0.000 0.790 214 L CB -0.591 41.175 42.059 -0.489 0.000 0.919 214 L HN 0.314 nan 8.230 nan 0.000 0.443 215 A N -0.767 121.992 122.820 -0.101 0.000 2.168 215 A HA -0.096 4.225 4.320 0.001 0.000 0.215 215 A C 1.872 179.450 177.584 -0.010 0.000 1.152 215 A CA 1.000 53.009 52.037 -0.046 0.000 0.716 215 A CB -0.111 18.874 19.000 -0.026 0.000 0.794 215 A HN 0.309 nan 8.150 nan 0.000 0.465 216 E N -0.680 119.515 120.200 -0.008 0.000 2.481 216 E HA 0.235 4.585 4.350 0.001 0.000 0.198 216 E C 1.467 178.185 176.600 0.197 0.000 1.027 216 E CA 0.696 57.133 56.400 0.062 0.000 0.900 216 E CB 0.017 29.730 29.700 0.021 0.000 0.993 216 E HN 0.523 nan 8.360 nan 0.000 0.482 217 A N 1.082 124.019 122.820 0.195 0.000 2.238 217 A HA 0.381 4.701 4.320 0.001 0.000 0.208 217 A C 1.319 178.951 177.584 0.080 0.000 1.177 217 A CA 0.823 53.012 52.037 0.253 0.000 0.804 217 A CB -0.394 18.690 19.000 0.140 0.000 0.823 217 A HN 0.247 nan 8.150 nan 0.000 0.482 218 G N -0.079 108.754 108.800 0.056 0.000 2.539 218 G HA2 -0.195 3.765 3.960 0.001 0.000 0.256 218 G HA3 -0.195 3.765 3.960 0.001 0.000 0.256 218 G C -2.573 172.321 174.900 -0.009 0.000 1.233 218 G CA -0.240 44.873 45.100 0.021 0.000 0.936 218 G HN 0.425 nan 8.290 nan 0.000 0.571 219 P HA 0.500 nan 4.420 nan 0.000 0.270 219 P C -0.210 177.066 177.300 -0.039 0.000 1.242 219 P CA -0.507 62.580 63.100 -0.023 0.000 0.768 219 P CB 0.597 32.288 31.700 -0.015 0.000 0.820 220 L N 6.831 128.021 121.223 -0.055 0.000 2.397 220 L HA 0.359 4.699 4.340 0.001 0.000 0.271 220 L C -1.395 175.438 176.870 -0.061 0.000 1.148 220 L CA -1.429 53.363 54.840 -0.081 0.000 0.825 220 L CB -0.676 41.321 42.059 -0.104 0.000 1.117 220 L HN 0.380 nan 8.230 nan 0.000 0.456 221 P HA 0.295 nan 4.420 nan 0.000 0.281 221 P C -1.133 176.142 177.300 -0.043 0.000 1.264 221 P CA -0.610 62.462 63.100 -0.045 0.000 0.824 221 P CB 1.369 33.043 31.700 -0.043 0.000 1.092 222 S N 0.746 116.428 115.700 -0.029 0.000 2.498 222 S HA 0.591 5.062 4.470 0.001 0.000 0.317 222 S C -2.047 172.545 174.600 -0.013 0.000 1.090 222 S CA -0.936 57.252 58.200 -0.019 0.000 1.089 222 S CB 0.104 63.297 63.200 -0.011 0.000 0.997 222 S HN 0.388 nan 8.310 nan 0.000 0.470 223 P HA 0.569 nan 4.420 nan 0.000 0.282 223 P C -1.038 176.243 177.300 -0.031 0.000 1.287 223 P CA -0.703 62.394 63.100 -0.005 0.000 0.792 223 P CB 0.658 32.377 31.700 0.031 0.000 1.163 224 I N -0.719 119.841 120.570 -0.017 0.000 2.646 224 I HA 0.317 4.487 4.170 0.001 0.000 0.299 224 I C -0.258 175.898 176.117 0.064 0.000 1.036 224 I CA -0.432 60.861 61.300 -0.011 0.000 1.074 224 I CB 2.204 40.157 38.000 -0.078 0.000 1.258 224 I HN 0.388 nan 8.210 nan 0.000 0.430 225 D N 3.350 123.842 120.400 0.153 0.000 2.636 225 D HA 0.554 5.194 4.640 0.001 0.000 0.236 225 D C -1.084 175.455 176.300 0.399 0.000 1.176 225 D CA -0.161 53.982 54.000 0.238 0.000 1.081 225 D CB 1.504 42.453 40.800 0.247 0.000 1.213 225 D HN 0.281 nan 8.370 nan 0.000 0.633 226 V N -0.056 120.062 119.914 0.341 0.000 2.834 226 V HA 0.514 4.635 4.120 0.001 0.000 0.313 226 V C -0.077 176.102 176.094 0.142 0.000 1.060 226 V CA -1.096 61.396 62.300 0.321 0.000 0.989 226 V CB 1.217 33.158 31.823 0.198 0.000 1.041 226 V HN 0.530 nan 8.190 nan 0.000 0.459 227 L N 3.301 124.576 121.223 0.088 0.000 2.615 227 L HA 0.321 4.661 4.340 0.001 0.000 0.284 227 L C -0.155 176.584 176.870 -0.218 0.000 1.237 227 L CA 1.368 56.003 54.840 -0.341 0.000 0.905 227 L CB -0.669 41.360 42.059 -0.051 0.000 1.149 227 L HN 1.138 nan 8.230 nan 0.000 0.499 228 N N 2.854 121.332 118.700 -0.371 0.000 3.126 228 N HA 0.598 5.338 4.740 0.001 0.000 0.233 228 N C -1.070 174.325 175.510 -0.193 0.000 1.069 228 N CA 0.273 53.237 53.050 -0.143 0.000 1.071 228 N CB 1.362 39.825 38.487 -0.039 0.000 1.683 228 N HN 0.971 nan 8.380 nan 0.000 0.586 229 G N 2.018 110.806 108.800 -0.019 0.000 3.313 229 G HA2 0.189 4.149 3.960 0.001 0.000 0.659 229 G HA3 0.189 4.149 3.960 0.001 0.000 0.659 229 G C -1.542 173.572 174.900 0.357 0.000 1.286 229 G CA -0.669 44.502 45.100 0.118 0.000 1.077 229 G HN 0.559 nan 8.290 nan 0.000 0.551 230 I N 1.449 122.299 120.570 0.467 0.000 2.569 230 I HA 0.761 4.931 4.170 0.001 0.000 0.290 230 I C 0.310 176.566 176.117 0.232 0.000 1.088 230 I CA -0.866 60.657 61.300 0.373 0.000 1.047 230 I CB 2.150 40.313 38.000 0.272 0.000 1.237 230 I HN 1.008 nan 8.210 nan 0.000 0.421 231 A N 6.260 129.160 122.820 0.134 0.000 2.469 231 A HA 0.836 5.156 4.320 0.001 0.000 0.299 231 A C -1.984 175.874 177.584 0.456 0.000 1.098 231 A CA -0.517 51.555 52.037 0.058 0.000 0.737 231 A CB 2.445 21.070 19.000 -0.625 0.000 1.312 231 A HN 0.864 nan 8.150 nan 0.000 0.414 232 W N 1.945 123.371 121.300 0.210 0.000 3.274 232 W HA 0.472 5.133 4.660 0.001 0.000 0.327 232 W C -2.255 174.356 176.519 0.153 0.000 1.172 232 W CA -0.427 56.972 57.345 0.090 0.000 1.217 232 W CB 1.880 31.309 29.460 -0.052 0.000 1.376 232 W HN 0.772 nan 8.180 nan 0.000 0.507 233 D N 4.659 124.730 120.400 -0.548 0.000 2.392 233 D HA 0.227 4.868 4.640 0.001 0.000 0.228 233 D C 0.769 176.423 176.300 -1.077 0.000 1.074 233 D CA -0.103 53.482 54.000 -0.691 0.000 0.838 233 D CB 1.556 41.769 40.800 -0.978 0.000 1.067 233 D HN 0.441 nan 8.370 nan 0.000 0.511 234 K N 2.826 122.821 120.400 -0.675 0.000 2.057 234 K HA -0.122 4.198 4.320 0.001 0.000 0.206 234 K C 1.544 178.002 176.600 -0.237 0.000 1.050 234 K CA 0.614 56.638 56.287 -0.439 0.000 0.935 234 K CB 0.261 32.774 32.500 0.023 0.000 0.715 234 K HN 0.502 nan 8.250 nan 0.000 0.439 235 E N 1.087 121.128 120.200 -0.265 0.000 2.038 235 E HA -0.209 4.142 4.350 0.001 0.000 0.195 235 E C 1.743 178.052 176.600 -0.484 0.000 1.000 235 E CA 1.252 57.422 56.400 -0.384 0.000 0.803 235 E CB 0.088 29.465 29.700 -0.539 0.000 0.750 235 E HN 0.444 nan 8.360 nan 0.000 0.448 236 H N -1.683 117.286 119.070 -0.168 0.000 2.548 236 H HA 0.048 4.604 4.556 0.001 0.000 0.265 236 H C 0.022 175.242 175.328 -0.179 0.000 0.969 236 H CA 0.824 56.778 56.048 -0.158 0.000 1.155 236 H CB 0.172 29.845 29.762 -0.150 0.000 1.394 236 H HN 0.299 nan 8.280 nan 0.000 0.570 237 H N 0.345 119.081 119.070 -0.557 0.000 2.819 237 H HA -0.126 4.431 4.556 0.001 0.000 0.323 237 H C -0.197 174.776 175.328 -0.592 0.000 1.243 237 H CA 0.119 55.704 56.048 -0.772 0.000 1.163 237 H CB -1.420 28.248 29.762 -0.156 0.000 1.493 237 H HN 0.341 nan 8.280 nan 0.000 0.434 238 R N 0.787 120.850 120.500 -0.728 0.000 2.393 238 R HA 0.472 4.813 4.340 0.001 0.000 0.315 238 R C -0.612 175.386 176.300 -0.504 0.000 0.952 238 R CA -1.194 54.621 56.100 -0.474 0.000 0.842 238 R CB 1.821 31.869 30.300 -0.419 0.000 1.163 238 R HN 0.090 nan 8.270 nan 0.000 0.450 239 L N 4.421 125.477 121.223 -0.279 0.000 2.287 239 L HA 0.533 4.873 4.340 0.001 0.000 0.287 239 L C -1.535 175.188 176.870 -0.244 0.000 1.022 239 L CA -0.112 54.741 54.840 0.021 0.000 0.814 239 L CB 0.735 42.949 42.059 0.258 0.000 1.217 239 L HN 0.400 nan 8.230 nan 0.000 0.420 240 F N 4.816 124.959 119.950 0.323 0.000 2.508 240 F HA 0.730 5.258 4.527 0.001 0.000 0.325 240 F C -0.059 175.957 175.800 0.360 0.000 1.090 240 F CA -0.933 57.278 58.000 0.351 0.000 0.945 240 F CB 2.022 41.229 39.000 0.344 0.000 1.156 240 F HN 0.337 nan 8.300 nan 0.000 0.463 241 V N -0.764 119.458 119.914 0.513 0.000 2.709 241 V HA 0.912 5.033 4.120 0.001 0.000 0.308 241 V C -0.671 175.505 176.094 0.137 0.000 1.062 241 V CA -0.227 62.258 62.300 0.309 0.000 0.901 241 V CB 1.261 33.203 31.823 0.198 0.000 1.003 241 V HN 0.910 nan 8.190 nan 0.000 0.425 242 T N 1.924 116.348 114.554 -0.216 0.000 2.572 242 T HA 0.953 5.304 4.350 0.001 0.000 0.274 242 T C -0.143 173.911 174.700 -1.077 0.000 0.949 242 T CA 0.075 61.830 62.100 -0.575 0.000 1.126 242 T CB 1.531 69.897 68.868 -0.837 0.000 1.478 242 T HN 1.872 nan 8.240 nan 0.000 0.492 243 G N 0.407 108.380 108.800 -1.377 0.000 2.600 243 G HA2 0.549 4.510 3.960 0.001 0.000 0.293 243 G HA3 0.549 4.510 3.960 0.001 0.000 0.293 243 G C -1.847 172.597 174.900 -0.760 0.000 1.408 243 G CA -0.822 43.358 45.100 -1.532 0.000 0.782 243 G HN 0.734 nan 8.290 nan 0.000 0.482 244 K N 0.678 120.898 120.400 -0.299 0.000 2.322 244 K HA 0.395 4.716 4.320 0.001 0.000 0.283 244 K C 0.529 177.160 176.600 0.052 0.000 1.042 244 K CA -0.261 56.007 56.287 -0.031 0.000 0.958 244 K CB 0.931 33.513 32.500 0.137 0.000 0.984 244 K HN 0.539 nan 8.250 nan 0.000 0.473 245 L N -0.134 121.033 121.223 -0.094 0.000 3.976 245 L HA -0.234 4.106 4.340 0.001 0.000 0.418 245 L C -0.438 176.559 176.870 0.211 0.000 1.177 245 L CA 0.371 55.175 54.840 -0.059 0.000 0.968 245 L CB -1.776 40.118 42.059 -0.275 0.000 1.933 245 L HN 0.638 nan 8.230 nan 0.000 0.976 246 W N 1.779 123.079 121.300 0.000 0.000 2.218 246 W HA 0.302 4.963 4.660 0.001 0.000 0.326 246 W C -0.900 175.669 176.519 0.084 0.000 1.276 246 W CA -1.605 55.741 57.345 0.001 0.000 1.210 246 W CB -0.080 29.323 29.460 -0.095 0.000 1.143 246 W HN -0.159 nan 8.180 nan 0.000 0.563 247 P HA -0.032 nan 4.420 nan 0.000 0.240 247 P C -0.029 177.313 177.300 0.070 0.000 1.190 247 P CA 1.106 64.257 63.100 0.085 0.000 0.781 247 P CB 0.707 32.405 31.700 -0.003 0.000 0.931 248 K N -0.293 120.117 120.400 0.017 0.000 2.435 248 K HA 0.469 4.789 4.320 0.001 0.000 0.251 248 K C -0.847 175.612 176.600 -0.234 0.000 0.954 248 K CA -1.054 55.108 56.287 -0.208 0.000 0.820 248 K CB 2.701 34.761 32.500 -0.732 0.000 1.292 248 K HN -0.294 nan 8.250 nan 0.000 0.436 249 V N 2.646 122.475 119.914 -0.141 0.000 2.472 249 V HA 0.462 4.582 4.120 0.001 0.000 0.290 249 V C -0.465 175.601 176.094 -0.047 0.000 1.037 249 V CA -0.708 61.565 62.300 -0.044 0.000 0.908 249 V CB 0.562 32.522 31.823 0.228 0.000 0.985 249 V HN 0.483 nan 8.190 nan 0.000 0.454 250 F N 2.169 122.312 119.950 0.321 0.000 2.420 250 F HA 0.412 4.940 4.527 0.001 0.000 0.342 250 F C 0.568 176.610 175.800 0.403 0.000 1.113 250 F CA -0.406 57.766 58.000 0.286 0.000 1.059 250 F CB 1.323 40.425 39.000 0.171 0.000 1.128 250 F HN 0.491 nan 8.300 nan 0.000 0.475 251 E N 5.299 125.833 120.200 0.556 0.000 2.229 251 E HA 0.487 4.837 4.350 0.001 0.000 0.283 251 E C -1.004 175.738 176.600 0.236 0.000 1.030 251 E CA -0.444 56.179 56.400 0.372 0.000 0.836 251 E CB 0.818 30.786 29.700 0.447 0.000 1.068 251 E HN 0.650 nan 8.360 nan 0.000 0.401 252 I N 0.807 121.470 120.570 0.156 0.000 2.828 252 I HA 0.572 4.742 4.170 0.001 0.000 0.302 252 I C -0.312 175.886 176.117 0.134 0.000 1.101 252 I CA -0.810 60.594 61.300 0.172 0.000 1.031 252 I CB 2.251 40.378 38.000 0.212 0.000 1.231 252 I HN 0.371 nan 8.210 nan 0.000 0.427 253 T N 2.090 116.725 114.554 0.135 0.000 2.949 253 T HA 0.787 5.138 4.350 0.001 0.000 0.287 253 T C -0.451 174.334 174.700 0.141 0.000 1.034 253 T CA -0.895 61.281 62.100 0.126 0.000 1.018 253 T CB 1.692 70.618 68.868 0.098 0.000 1.135 253 T HN 0.608 nan 8.240 nan 0.000 0.532 254 L N 0.643 121.948 121.223 0.137 0.000 2.342 254 L HA 0.700 5.040 4.340 0.001 0.000 0.271 254 L C -0.217 176.774 176.870 0.201 0.000 1.008 254 L CA -0.920 54.022 54.840 0.169 0.000 0.818 254 L CB 2.455 44.590 42.059 0.127 0.000 1.296 254 L HN 0.755 nan 8.230 nan 0.000 0.427 255 T N 0.697 115.375 114.554 0.206 0.000 2.848 255 T HA 0.245 4.595 4.350 0.001 0.000 0.285 255 T C -0.583 174.162 174.700 0.076 0.000 0.995 255 T CA -0.556 61.623 62.100 0.132 0.000 0.970 255 T CB 1.922 70.809 68.868 0.031 0.000 0.976 255 T HN 0.465 nan 8.240 nan 0.000 0.441 256 Q N 2.447 122.215 119.800 -0.053 0.000 2.311 256 Q HA 0.166 4.507 4.340 0.001 0.000 0.272 256 Q C 0.457 176.329 176.000 -0.213 0.000 1.012 256 Q CA 0.063 55.644 55.803 -0.370 0.000 0.891 256 Q CB 0.914 29.438 28.738 -0.357 0.000 1.201 256 Q HN 0.442 nan 8.270 nan 0.000 0.391 257 R N 1.791 122.151 120.500 -0.233 0.000 2.747 257 R HA 0.190 4.531 4.340 0.001 0.000 0.278 257 R C 0.029 176.259 176.300 -0.117 0.000 1.153 257 R CA -0.386 55.631 56.100 -0.138 0.000 1.206 257 R CB 0.426 30.657 30.300 -0.116 0.000 1.161 257 R HN 0.560 nan 8.270 nan 0.000 0.589 258 V N 0.000 119.865 119.914 -0.081 0.000 2.409 258 V HA 0.000 4.121 4.120 0.001 0.000 0.244 258 V CA 0.000 62.263 62.300 -0.061 0.000 1.235 258 V CB 0.000 31.792 31.823 -0.052 0.000 1.184 258 V HN 0.000 nan 8.190 nan 0.000 0.556