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 2c3n_1_A DATA FIRST_RESID 2 DATA SEQUENCE GLELYLDLLS QPCRAVYIFA KKNDIPFELR IVDLIKGQHL SDAFAQVNPL DATA SEQUENCE KKVPALKDGD FTLTESVAIL LYLTRKYKVP DYWYPQDLQA RARVDEYLAW DATA SEQUENCE QHTTLRRSCL RALWHKVMFP VFLGEPVSPQ TLAATLAELD VTLQLLEDKF DATA SEQUENCE LQNKAFLTGP HISLADLVAI TELMHPVGAG CQVFEGRPKL ATWRQRVEAA DATA SEQUENCE VGEDLFQEAH EVILKAKDFP PADPTIKQKL MPWVLAMIR 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 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.963 3.960 0.004 0.000 0.244 2 G C 0.000 175.000 174.900 0.166 0.000 0.946 2 G CA 0.000 45.175 45.100 0.126 0.000 0.502 3 L N 2.083 123.426 121.223 0.200 0.000 2.290 3 L HA 0.682 5.025 4.340 0.004 0.000 0.284 3 L C -0.300 176.698 176.870 0.213 0.000 1.078 3 L CA -0.265 54.719 54.840 0.240 0.000 0.815 3 L CB 0.837 43.072 42.059 0.292 0.000 1.162 3 L HN 0.527 nan 8.230 nan 0.000 0.435 4 E N 5.913 126.230 120.200 0.195 0.000 2.199 4 E HA 0.507 4.859 4.350 0.004 0.000 0.269 4 E C -1.321 175.362 176.600 0.139 0.000 0.899 4 E CA -0.627 55.850 56.400 0.128 0.000 0.772 4 E CB 2.107 31.847 29.700 0.067 0.000 1.155 4 E HN 0.532 nan 8.360 nan 0.000 0.408 5 L N 3.399 124.677 121.223 0.092 0.000 2.325 5 L HA 0.402 4.744 4.340 0.004 0.000 0.281 5 L C -1.190 175.691 176.870 0.017 0.000 1.004 5 L CA -0.932 53.952 54.840 0.073 0.000 0.823 5 L CB 0.717 42.707 42.059 -0.116 0.000 1.236 5 L HN 0.526 nan 8.230 nan 0.000 0.415 6 Y N 4.817 125.193 120.300 0.128 0.000 2.454 6 Y HA 0.591 5.144 4.550 0.004 0.000 0.345 6 Y C -0.034 175.909 175.900 0.072 0.000 0.970 6 Y CA -0.272 57.915 58.100 0.145 0.000 1.204 6 Y CB 0.778 39.428 38.460 0.315 0.000 1.122 6 Y HN 0.354 nan 8.280 nan 0.000 0.514 7 L N 2.742 124.030 121.223 0.109 0.000 2.376 7 L HA 0.587 4.929 4.340 0.004 0.000 0.258 7 L C -1.177 175.667 176.870 -0.043 0.000 1.013 7 L CA -1.015 53.847 54.840 0.035 0.000 0.822 7 L CB 2.564 44.652 42.059 0.049 0.000 1.388 7 L HN 0.338 nan 8.230 nan 0.000 0.413 8 D N 1.072 121.429 120.400 -0.072 0.000 2.788 8 D HA 0.328 4.970 4.640 0.004 0.000 0.247 8 D C 0.320 176.562 176.300 -0.098 0.000 1.236 8 D CA -0.432 53.505 54.000 -0.104 0.000 0.898 8 D CB 2.264 42.986 40.800 -0.129 0.000 1.401 8 D HN 0.438 nan 8.370 nan 0.000 0.549 9 L N 3.231 124.364 121.223 -0.149 0.000 2.549 9 L HA -0.092 4.250 4.340 0.004 0.000 0.229 9 L C 2.194 179.009 176.870 -0.091 0.000 1.158 9 L CA 0.240 54.969 54.840 -0.185 0.000 0.842 9 L CB -0.198 41.678 42.059 -0.306 0.000 0.952 9 L HN 0.414 nan 8.230 nan 0.000 0.452 10 L N -0.350 120.860 121.223 -0.022 0.000 2.131 10 L HA -0.076 4.267 4.340 0.004 0.000 0.210 10 L C 1.604 178.570 176.870 0.160 0.000 1.092 10 L CA 1.044 55.922 54.840 0.063 0.000 0.759 10 L CB -0.237 41.880 42.059 0.097 0.000 0.903 10 L HN 0.171 nan 8.230 nan 0.000 0.435 11 S N -0.645 115.121 115.700 0.109 0.000 2.523 11 S HA 0.039 4.512 4.470 0.004 0.000 0.275 11 S C 1.015 175.655 174.600 0.067 0.000 1.281 11 S CA -0.410 57.868 58.200 0.130 0.000 1.050 11 S CB 0.713 63.960 63.200 0.078 0.000 0.937 11 S HN 0.490 nan 8.310 nan 0.000 0.492 12 Q N 5.193 124.993 119.800 0.001 0.000 2.002 12 Q HA -0.080 4.263 4.340 0.004 0.000 0.204 12 Q C -0.957 175.034 176.000 -0.015 0.000 0.988 12 Q CA 2.212 57.978 55.803 -0.062 0.000 0.843 12 Q CB -1.493 27.091 28.738 -0.257 0.000 0.908 12 Q HN 0.666 nan 8.270 nan 0.000 0.420 13 P HA -0.086 nan 4.420 nan 0.000 0.218 13 P C 1.560 178.867 177.300 0.011 0.000 1.149 13 P CA 1.212 64.314 63.100 0.003 0.000 0.817 13 P CB -0.396 31.311 31.700 0.010 0.000 0.785 14 C N -0.076 119.231 119.300 0.012 0.000 2.429 14 C HA -0.049 4.413 4.460 0.004 0.000 0.277 14 C C 2.885 177.883 174.990 0.013 0.000 1.262 14 C CA 0.638 59.663 59.018 0.011 0.000 1.733 14 C CB -1.570 26.167 27.740 -0.004 0.000 2.010 14 C HN 0.265 nan 8.230 nan 0.000 0.483 15 R N 1.067 121.550 120.500 -0.028 0.000 2.096 15 R HA -0.117 4.226 4.340 0.004 0.000 0.235 15 R C 2.396 178.720 176.300 0.040 0.000 1.127 15 R CA 1.602 57.666 56.100 -0.060 0.000 0.968 15 R CB -0.513 29.662 30.300 -0.208 0.000 0.861 15 R HN 0.573 nan 8.270 nan 0.000 0.440 16 A N 0.723 123.572 122.820 0.049 0.000 1.877 16 A HA -0.118 4.205 4.320 0.004 0.000 0.216 16 A C 2.379 179.994 177.584 0.052 0.000 1.186 16 A CA 1.411 53.490 52.037 0.070 0.000 0.620 16 A CB -0.568 18.462 19.000 0.050 0.000 0.822 16 A HN 0.112 nan 8.150 nan 0.000 0.443 17 V N -1.434 118.494 119.914 0.023 0.000 2.295 17 V HA -0.279 3.844 4.120 0.004 0.000 0.246 17 V C 2.351 178.448 176.094 0.006 0.000 1.049 17 V CA 2.160 64.455 62.300 -0.009 0.000 1.024 17 V CB -1.004 30.799 31.823 -0.033 0.000 0.648 17 V HN 0.709 nan 8.190 nan 0.000 0.447 18 Y N 0.523 120.774 120.300 -0.082 0.000 2.145 18 Y HA -0.244 4.309 4.550 0.004 0.000 0.286 18 Y C 2.268 178.161 175.900 -0.011 0.000 1.145 18 Y CA 1.875 59.937 58.100 -0.064 0.000 1.148 18 Y CB -0.243 38.200 38.460 -0.029 0.000 0.981 18 Y HN 0.171 nan 8.280 nan 0.000 0.507 19 I N -0.959 119.676 120.570 0.110 0.000 2.163 19 I HA -0.328 3.844 4.170 0.004 0.000 0.243 19 I C 2.246 178.347 176.117 -0.027 0.000 1.085 19 I CA 1.719 63.051 61.300 0.053 0.000 1.347 19 I CB -0.583 37.518 38.000 0.169 0.000 1.044 19 I HN 0.258 nan 8.210 nan 0.000 0.408 20 F N 1.676 121.511 119.950 -0.191 0.000 2.095 20 F HA -0.271 4.259 4.527 0.004 0.000 0.298 20 F C 2.466 178.068 175.800 -0.331 0.000 1.104 20 F CA 1.584 59.369 58.000 -0.359 0.000 1.232 20 F CB -0.369 38.373 39.000 -0.429 0.000 0.987 20 F HN 0.013 nan 8.300 nan 0.000 0.475 21 A N 0.288 122.962 122.820 -0.244 0.000 1.902 21 A HA -0.164 4.159 4.320 0.004 0.000 0.217 21 A C 2.280 179.722 177.584 -0.236 0.000 1.181 21 A CA 1.586 53.422 52.037 -0.336 0.000 0.623 21 A CB -0.568 18.107 19.000 -0.543 0.000 0.818 21 A HN 0.277 nan 8.150 nan 0.000 0.443 22 K N -0.097 120.167 120.400 -0.226 0.000 2.057 22 K HA -0.121 4.202 4.320 0.004 0.000 0.206 22 K C 2.024 178.536 176.600 -0.146 0.000 1.050 22 K CA 1.720 57.897 56.287 -0.184 0.000 0.935 22 K CB -0.337 31.962 32.500 -0.334 0.000 0.715 22 K HN 0.454 nan 8.250 nan 0.000 0.439 23 K N 1.592 121.904 120.400 -0.147 0.000 2.097 23 K HA -0.063 4.260 4.320 0.004 0.000 0.206 23 K C 1.336 177.880 176.600 -0.093 0.000 1.049 23 K CA 1.393 57.648 56.287 -0.053 0.000 0.933 23 K CB -0.080 32.459 32.500 0.065 0.000 0.717 23 K HN 0.053 nan 8.250 nan 0.000 0.442 24 N N 1.305 119.841 118.700 -0.274 0.000 2.383 24 N HA -0.037 4.705 4.740 0.004 0.000 0.192 24 N C -0.783 174.615 175.510 -0.187 0.000 1.141 24 N CA 0.707 53.592 53.050 -0.275 0.000 0.851 24 N CB 0.231 38.360 38.487 -0.597 0.000 0.976 24 N HN 0.225 nan 8.380 nan 0.000 0.465 25 D N 0.668 120.981 120.400 -0.144 0.000 2.751 25 D HA -0.194 4.448 4.640 0.004 0.000 0.233 25 D C -0.122 176.105 176.300 -0.122 0.000 1.149 25 D CA 0.650 54.590 54.000 -0.099 0.000 0.682 25 D CB -1.512 39.252 40.800 -0.059 0.000 1.068 25 D HN 0.416 nan 8.370 nan 0.000 0.429 26 I N 0.987 121.446 120.570 -0.184 0.000 2.396 26 I HA 0.146 4.319 4.170 0.004 0.000 0.289 26 I C -1.807 174.267 176.117 -0.073 0.000 1.056 26 I CA -1.579 59.541 61.300 -0.300 0.000 1.365 26 I CB 0.674 38.335 38.000 -0.566 0.000 1.407 26 I HN -0.289 nan 8.210 nan 0.000 0.509 27 P HA 0.251 nan 4.420 nan 0.000 0.276 27 P C -1.044 176.333 177.300 0.129 0.000 1.235 27 P CA 0.040 63.137 63.100 -0.005 0.000 0.772 27 P CB 0.341 32.045 31.700 0.008 0.000 0.871 28 F N -1.255 118.644 119.950 -0.085 0.000 2.693 28 F HA 0.486 5.016 4.527 0.005 0.000 0.309 28 F C -0.913 174.862 175.800 -0.042 0.000 1.129 28 F CA -1.227 56.743 58.000 -0.050 0.000 0.948 28 F CB 1.386 40.351 39.000 -0.058 0.000 1.315 28 F HN 0.065 nan 8.300 nan 0.000 0.447 29 E N 2.433 122.667 120.200 0.057 0.000 2.194 29 E HA 0.296 4.649 4.350 0.004 0.000 0.284 29 E C -1.184 175.449 176.600 0.055 0.000 1.035 29 E CA -0.887 55.481 56.400 -0.053 0.000 0.836 29 E CB 1.964 31.647 29.700 -0.028 0.000 1.070 29 E HN 0.656 nan 8.360 nan 0.000 0.401 30 L N 5.032 126.224 121.223 -0.052 0.000 2.319 30 L HA 0.138 4.480 4.340 0.004 0.000 0.280 30 L C -0.504 176.339 176.870 -0.045 0.000 1.099 30 L CA 0.136 55.032 54.840 0.093 0.000 0.828 30 L CB 0.288 42.397 42.059 0.083 0.000 1.150 30 L HN 0.319 nan 8.230 nan 0.000 0.442 31 R N 6.998 127.419 120.500 -0.131 0.000 2.320 31 R HA 0.422 4.765 4.340 0.004 0.000 0.319 31 R C -0.751 175.498 176.300 -0.086 0.000 0.969 31 R CA -0.592 55.379 56.100 -0.215 0.000 0.857 31 R CB 0.819 30.733 30.300 -0.643 0.000 1.160 31 R HN 0.679 nan 8.270 nan 0.000 0.491 32 I N 3.017 123.559 120.570 -0.047 0.000 2.471 32 I HA 0.065 4.237 4.170 0.004 0.000 0.286 32 I C 0.253 176.339 176.117 -0.052 0.000 1.079 32 I CA -0.290 60.981 61.300 -0.047 0.000 1.398 32 I CB 1.128 39.094 38.000 -0.057 0.000 1.403 32 I HN 0.100 nan 8.210 nan 0.000 0.530 33 V N 5.845 125.699 119.914 -0.099 0.000 2.304 33 V HA 0.115 4.237 4.120 0.004 0.000 0.278 33 V C 0.062 176.031 176.094 -0.209 0.000 1.018 33 V CA -0.644 61.542 62.300 -0.191 0.000 0.814 33 V CB 1.261 32.844 31.823 -0.399 0.000 1.021 33 V HN 0.610 nan 8.190 nan 0.000 0.440 34 D N 4.359 124.662 120.400 -0.163 0.000 2.367 34 D HA 0.142 4.785 4.640 0.004 0.000 0.255 34 D C 1.135 177.319 176.300 -0.193 0.000 1.300 34 D CA 0.205 54.105 54.000 -0.167 0.000 0.959 34 D CB 1.058 41.779 40.800 -0.132 0.000 1.064 34 D HN 0.442 nan 8.370 nan 0.000 0.509 35 L N 3.917 124.970 121.223 -0.283 0.000 2.046 35 L HA -0.188 4.154 4.340 0.004 0.000 0.208 35 L C 2.150 178.871 176.870 -0.249 0.000 1.077 35 L CA 0.505 55.075 54.840 -0.449 0.000 0.747 35 L CB -0.183 41.568 42.059 -0.514 0.000 0.896 35 L HN 0.504 nan 8.230 nan 0.000 0.432 36 I N 0.207 120.646 120.570 -0.218 0.000 2.454 36 I HA -0.229 3.943 4.170 0.004 0.000 0.254 36 I C 1.957 178.069 176.117 -0.008 0.000 1.156 36 I CA 1.579 62.783 61.300 -0.160 0.000 1.433 36 I CB -0.758 36.921 38.000 -0.536 0.000 1.082 36 I HN 0.313 nan 8.210 nan 0.000 0.432 37 K N 0.237 120.594 120.400 -0.072 0.000 2.374 37 K HA 0.244 4.566 4.320 0.004 0.000 0.196 37 K C 1.129 177.702 176.600 -0.045 0.000 1.023 37 K CA 0.528 56.791 56.287 -0.041 0.000 1.103 37 K CB 0.329 32.790 32.500 -0.064 0.000 0.848 37 K HN 0.346 nan 8.250 nan 0.000 0.528 38 G N 2.386 111.158 108.800 -0.047 0.000 2.160 38 G HA2 -0.357 3.606 3.960 0.004 0.000 0.251 38 G HA3 -0.357 3.606 3.960 0.004 0.000 0.251 38 G C 0.618 175.408 174.900 -0.182 0.000 1.008 38 G CA 0.691 45.705 45.100 -0.143 0.000 0.724 38 G HN 0.473 nan 8.290 nan 0.000 0.514 39 Q N -0.394 119.366 119.800 -0.066 0.000 2.224 39 Q HA -0.134 4.209 4.340 0.004 0.000 0.203 39 Q C 2.187 178.108 176.000 -0.133 0.000 0.970 39 Q CA 1.916 57.665 55.803 -0.091 0.000 0.865 39 Q CB -0.203 28.479 28.738 -0.093 0.000 0.922 39 Q HN 1.005 nan 8.270 nan 0.000 0.445 40 H N -2.020 116.822 119.070 -0.381 0.000 2.524 40 H HA 0.043 4.601 4.556 0.004 0.000 0.282 40 H C 1.358 176.653 175.328 -0.055 0.000 1.016 40 H CA 0.546 56.349 56.048 -0.409 0.000 1.270 40 H CB 0.011 29.462 29.762 -0.519 0.000 1.394 40 H HN 0.215 nan 8.280 nan 0.000 0.568 41 L N 1.369 122.267 121.223 -0.541 0.000 2.607 41 L HA 0.147 4.490 4.340 0.004 0.000 0.228 41 L C 0.781 177.567 176.870 -0.140 0.000 1.123 41 L CA -0.347 54.279 54.840 -0.357 0.000 0.890 41 L CB 0.128 41.899 42.059 -0.480 0.000 1.103 41 L HN 0.289 nan 8.230 nan 0.000 0.468 42 S N -1.591 114.067 115.700 -0.071 0.000 2.603 42 S HA 0.088 4.561 4.470 0.004 0.000 0.268 42 S C 0.712 175.323 174.600 0.017 0.000 1.317 42 S CA -0.662 57.527 58.200 -0.018 0.000 1.012 42 S CB 1.270 64.472 63.200 0.002 0.000 0.926 42 S HN 0.064 nan 8.310 nan 0.000 0.539 43 D N 1.677 122.077 120.400 0.000 0.000 2.144 43 D HA -0.026 4.616 4.640 0.004 0.000 0.199 43 D C 2.217 178.516 176.300 -0.002 0.000 0.984 43 D CA 1.746 55.742 54.000 -0.008 0.000 0.834 43 D CB -0.885 39.907 40.800 -0.013 0.000 0.955 43 D HN 0.708 nan 8.370 nan 0.000 0.465 44 A N 0.410 123.245 122.820 0.026 0.000 1.883 44 A HA -0.201 4.122 4.320 0.004 0.000 0.217 44 A C 2.117 179.732 177.584 0.050 0.000 1.186 44 A CA 1.164 53.224 52.037 0.040 0.000 0.624 44 A CB -1.042 17.998 19.000 0.068 0.000 0.822 44 A HN 0.261 nan 8.150 nan 0.000 0.444 45 F N 0.767 120.684 119.950 -0.054 0.000 2.259 45 F HA 0.071 4.601 4.527 0.004 0.000 0.298 45 F C 2.462 178.193 175.800 -0.114 0.000 1.088 45 F CA 0.755 58.703 58.000 -0.088 0.000 1.358 45 F CB -0.330 38.637 39.000 -0.056 0.000 1.040 45 F HN 0.238 nan 8.300 nan 0.000 0.505 46 A N -0.237 122.521 122.820 -0.104 0.000 2.024 46 A HA -0.204 4.119 4.320 0.004 0.000 0.220 46 A C 2.073 179.515 177.584 -0.238 0.000 1.164 46 A CA 1.496 53.430 52.037 -0.172 0.000 0.643 46 A CB -0.552 18.404 19.000 -0.074 0.000 0.806 46 A HN 0.441 nan 8.150 nan 0.000 0.451 47 Q N -0.470 119.202 119.800 -0.213 0.000 2.172 47 Q HA -0.047 4.295 4.340 0.004 0.000 0.200 47 Q C 2.260 178.082 176.000 -0.296 0.000 0.964 47 Q CA 1.441 57.125 55.803 -0.198 0.000 0.855 47 Q CB -0.678 27.986 28.738 -0.122 0.000 0.918 47 Q HN 0.523 nan 8.270 nan 0.000 0.444 48 V N 1.058 120.683 119.914 -0.481 0.000 2.302 48 V HA -0.064 4.058 4.120 0.004 0.000 0.243 48 V C 0.843 176.524 176.094 -0.687 0.000 1.036 48 V CA 1.202 63.108 62.300 -0.657 0.000 1.020 48 V CB -0.181 31.015 31.823 -1.047 0.000 0.657 48 V HN 0.284 nan 8.190 nan 0.000 0.453 49 N N -0.436 117.735 118.700 -0.881 0.000 2.577 49 N HA 0.305 5.048 4.740 0.004 0.000 0.275 49 N C -2.376 172.895 175.510 -0.399 0.000 1.091 49 N CA -1.885 50.800 53.050 -0.607 0.000 0.843 49 N CB 2.049 40.158 38.487 -0.630 0.000 1.295 49 N HN -0.084 nan 8.380 nan 0.000 0.530 50 P HA -0.052 nan 4.420 nan 0.000 0.221 50 P C 1.116 178.366 177.300 -0.083 0.000 1.145 50 P CA 0.941 63.953 63.100 -0.147 0.000 0.795 50 P CB 0.369 31.999 31.700 -0.117 0.000 0.775 51 L N -1.234 119.947 121.223 -0.072 0.000 2.478 51 L HA 0.007 4.349 4.340 0.004 0.000 0.223 51 L C 0.680 177.597 176.870 0.078 0.000 1.140 51 L CA 0.552 55.392 54.840 -0.000 0.000 0.842 51 L CB -0.783 41.276 42.059 0.000 0.000 0.953 51 L HN -0.019 nan 8.230 nan 0.000 0.452 52 K N 0.518 120.979 120.400 0.101 0.000 3.125 52 K HA -0.179 4.144 4.320 0.004 0.000 0.268 52 K C -0.465 176.368 176.600 0.387 0.000 1.078 52 K CA 0.765 57.212 56.287 0.267 0.000 0.775 52 K CB -1.301 31.282 32.500 0.137 0.000 1.253 52 K HN 0.352 nan 8.250 nan 0.000 0.486 53 K N 0.097 120.743 120.400 0.409 0.000 2.443 53 K HA 0.581 4.903 4.320 0.004 0.000 0.251 53 K C -0.235 176.563 176.600 0.329 0.000 0.972 53 K CA -0.950 55.539 56.287 0.336 0.000 0.833 53 K CB 2.550 35.198 32.500 0.247 0.000 1.317 53 K HN 0.035 nan 8.250 nan 0.000 0.441 54 V N -1.266 118.749 119.914 0.168 0.000 2.769 54 V HA 0.638 4.760 4.120 0.004 0.000 0.312 54 V C -2.476 173.681 176.094 0.105 0.000 1.058 54 V CA -2.227 60.153 62.300 0.133 0.000 0.952 54 V CB 1.245 33.066 31.823 -0.004 0.000 1.019 54 V HN 0.658 nan 8.190 nan 0.000 0.445 55 P HA 0.618 nan 4.420 nan 0.000 0.276 55 P C -0.779 176.605 177.300 0.140 0.000 1.244 55 P CA -0.202 62.967 63.100 0.114 0.000 0.801 55 P CB 1.707 33.447 31.700 0.066 0.000 1.006 56 A N 2.325 125.268 122.820 0.206 0.000 2.414 56 A HA 0.664 4.986 4.320 0.004 0.000 0.306 56 A C -1.305 176.388 177.584 0.182 0.000 1.054 56 A CA -0.841 51.275 52.037 0.131 0.000 0.724 56 A CB 1.207 20.249 19.000 0.069 0.000 1.267 56 A HN 0.617 nan 8.150 nan 0.000 0.418 57 L N 1.279 122.533 121.223 0.051 0.000 2.329 57 L HA 0.761 5.104 4.340 0.004 0.000 0.279 57 L C -0.459 176.422 176.870 0.018 0.000 1.014 57 L CA -0.532 54.355 54.840 0.078 0.000 0.814 57 L CB 1.533 43.601 42.059 0.015 0.000 1.257 57 L HN 0.728 nan 8.230 nan 0.000 0.424 58 K N 2.965 123.455 120.400 0.150 0.000 2.426 58 K HA 0.327 4.649 4.320 0.004 0.000 0.254 58 K C -1.635 175.072 176.600 0.178 0.000 0.936 58 K CA -0.576 55.775 56.287 0.108 0.000 0.801 58 K CB 1.344 33.957 32.500 0.188 0.000 1.139 58 K HN 0.532 nan 8.250 nan 0.000 0.424 59 D N 3.623 124.147 120.400 0.206 0.000 2.412 59 D HA 0.314 4.956 4.640 0.004 0.000 0.276 59 D C 0.500 176.943 176.300 0.239 0.000 1.196 59 D CA 0.740 54.914 54.000 0.289 0.000 0.905 59 D CB 0.655 41.728 40.800 0.455 0.000 1.081 59 D HN 0.831 nan 8.370 nan 0.000 0.502 60 G N 3.509 112.412 108.800 0.171 0.000 2.543 60 G HA2 -0.348 3.615 3.960 0.004 0.000 0.286 60 G HA3 -0.348 3.615 3.960 0.004 0.000 0.286 60 G C 0.719 175.687 174.900 0.113 0.000 1.153 60 G CA 0.333 45.511 45.100 0.129 0.000 0.968 60 G HN 0.452 nan 8.290 nan 0.000 0.544 61 D N 0.531 120.998 120.400 0.112 0.000 2.349 61 D HA 0.278 4.921 4.640 0.004 0.000 0.224 61 D C 0.579 176.953 176.300 0.123 0.000 1.029 61 D CA 0.277 54.330 54.000 0.088 0.000 0.879 61 D CB 0.017 40.859 40.800 0.070 0.000 0.906 61 D HN 0.210 nan 8.370 nan 0.000 0.528 62 F N 1.382 121.324 119.950 -0.013 0.000 2.410 62 F HA 0.356 4.885 4.527 0.004 0.000 0.349 62 F C -0.117 175.641 175.800 -0.069 0.000 1.117 62 F CA -0.382 57.587 58.000 -0.052 0.000 1.104 62 F CB 1.031 39.993 39.000 -0.064 0.000 1.122 62 F HN -0.379 nan 8.300 nan 0.000 0.483 63 T N 7.593 121.717 114.554 -0.717 0.000 2.841 63 T HA 0.650 5.003 4.350 0.004 0.000 0.283 63 T C -1.594 172.548 174.700 -0.930 0.000 1.000 63 T CA -0.551 61.155 62.100 -0.658 0.000 0.977 63 T CB 1.602 70.251 68.868 -0.366 0.000 0.979 63 T HN 0.576 nan 8.240 nan 0.000 0.446 64 L N 3.099 123.905 121.223 -0.694 0.000 2.455 64 L HA 0.777 5.120 4.340 0.004 0.000 0.264 64 L C -0.073 176.645 176.870 -0.254 0.000 0.968 64 L CA -0.153 54.367 54.840 -0.534 0.000 0.827 64 L CB 2.268 43.975 42.059 -0.586 0.000 1.317 64 L HN 0.873 nan 8.230 nan 0.000 0.407 65 T N 0.106 114.558 114.554 -0.169 0.000 2.927 65 T HA 0.823 5.176 4.350 0.004 0.000 0.286 65 T C -1.131 173.543 174.700 -0.043 0.000 1.040 65 T CA -0.520 61.531 62.100 -0.080 0.000 1.010 65 T CB 1.696 70.524 68.868 -0.067 0.000 1.177 65 T HN 0.687 nan 8.240 nan 0.000 0.546 66 E N 0.141 120.338 120.200 -0.006 0.000 7.510 66 E HA -0.136 4.216 4.350 0.004 0.000 0.317 66 E C 0.947 177.559 176.600 0.019 0.000 0.733 66 E CA 0.696 57.107 56.400 0.018 0.000 1.377 66 E CB -1.366 28.342 29.700 0.013 0.000 0.921 66 E HN 0.992 nan 8.360 nan 0.000 0.263 67 S N 0.876 116.593 115.700 0.027 0.000 2.374 67 S HA -0.202 4.271 4.470 0.004 0.000 0.227 67 S C 1.786 176.372 174.600 -0.024 0.000 1.037 67 S CA 1.601 59.800 58.200 -0.002 0.000 1.024 67 S CB -0.156 63.043 63.200 -0.003 0.000 0.861 67 S HN 0.334 nan 8.310 nan 0.000 0.456 68 V N 2.784 122.707 119.914 0.017 0.000 2.287 68 V HA -0.161 3.961 4.120 0.004 0.000 0.248 68 V C 3.183 179.261 176.094 -0.027 0.000 1.053 68 V CA 1.812 64.113 62.300 0.001 0.000 1.027 68 V CB -1.597 30.280 31.823 0.091 0.000 0.646 68 V HN 0.699 nan 8.190 nan 0.000 0.447 69 A N -0.231 122.593 122.820 0.008 0.000 1.902 69 A HA -0.175 4.148 4.320 0.004 0.000 0.217 69 A C 2.181 179.787 177.584 0.036 0.000 1.181 69 A CA 1.958 54.006 52.037 0.018 0.000 0.623 69 A CB -0.553 18.459 19.000 0.020 0.000 0.818 69 A HN 0.513 nan 8.150 nan 0.000 0.443 70 I N -0.376 120.202 120.570 0.012 0.000 2.179 70 I HA -0.268 3.904 4.170 0.004 0.000 0.242 70 I C 2.373 178.484 176.117 -0.009 0.000 1.088 70 I CA 1.176 62.502 61.300 0.043 0.000 1.357 70 I CB -0.352 37.653 38.000 0.008 0.000 1.051 70 I HN 0.291 nan 8.210 nan 0.000 0.409 71 L N 0.062 121.187 121.223 -0.164 0.000 2.083 71 L HA -0.226 4.117 4.340 0.004 0.000 0.209 71 L C 2.476 179.104 176.870 -0.404 0.000 1.083 71 L CA 1.344 55.922 54.840 -0.437 0.000 0.752 71 L CB -0.450 41.290 42.059 -0.532 0.000 0.899 71 L HN 0.278 nan 8.230 nan 0.000 0.433 72 L N -1.982 119.100 121.223 -0.235 0.000 2.109 72 L HA -0.213 4.129 4.340 0.004 0.000 0.207 72 L C 2.530 179.367 176.870 -0.055 0.000 1.086 72 L CA 1.000 55.700 54.840 -0.234 0.000 0.760 72 L CB -0.522 41.402 42.059 -0.226 0.000 0.910 72 L HN 0.189 nan 8.230 nan 0.000 0.437 73 Y N 0.735 121.001 120.300 -0.058 0.000 2.145 73 Y HA -0.257 4.295 4.550 0.004 0.000 0.286 73 Y C 2.351 178.301 175.900 0.083 0.000 1.145 73 Y CA 1.565 59.684 58.100 0.031 0.000 1.148 73 Y CB -0.002 38.526 38.460 0.113 0.000 0.981 73 Y HN 0.000 nan 8.280 nan 0.000 0.507 74 L N -0.868 120.425 121.223 0.116 0.000 2.093 74 L HA -0.222 4.120 4.340 0.004 0.000 0.208 74 L C 2.360 179.370 176.870 0.234 0.000 1.085 74 L CA 1.645 56.611 54.840 0.211 0.000 0.755 74 L CB -0.956 41.277 42.059 0.291 0.000 0.904 74 L HN 0.213 nan 8.230 nan 0.000 0.435 75 T N -0.400 114.235 114.554 0.134 0.000 2.665 75 T HA -0.222 4.131 4.350 0.004 0.000 0.268 75 T C 2.068 176.815 174.700 0.077 0.000 1.035 75 T CA 1.556 63.752 62.100 0.160 0.000 1.151 75 T CB -0.133 68.738 68.868 0.006 0.000 0.862 75 T HN 0.317 nan 8.240 nan 0.000 0.438 76 R N 0.488 120.974 120.500 -0.024 0.000 2.062 76 R HA 0.113 4.456 4.340 0.004 0.000 0.226 76 R C 2.588 178.791 176.300 -0.161 0.000 1.125 76 R CA 1.045 57.107 56.100 -0.063 0.000 0.966 76 R CB -0.161 30.098 30.300 -0.069 0.000 0.861 76 R HN 0.268 nan 8.270 nan 0.000 0.433 77 K N 0.071 120.269 120.400 -0.337 0.000 2.057 77 K HA -0.142 4.180 4.320 0.004 0.000 0.207 77 K C 0.930 177.210 176.600 -0.534 0.000 1.049 77 K CA 1.445 57.410 56.287 -0.538 0.000 0.931 77 K CB 0.059 32.014 32.500 -0.909 0.000 0.714 77 K HN 0.182 nan 8.250 nan 0.000 0.440 78 Y N 0.923 121.146 120.300 -0.127 0.000 2.468 78 Y HA 0.215 4.767 4.550 0.004 0.000 0.268 78 Y C -0.340 175.531 175.900 -0.049 0.000 1.177 78 Y CA -0.112 57.943 58.100 -0.074 0.000 1.265 78 Y CB 0.358 38.777 38.460 -0.068 0.000 1.103 78 Y HN -0.065 nan 8.280 nan 0.000 0.522 79 K N 0.396 120.818 120.400 0.037 0.000 3.278 79 K HA -0.173 4.150 4.320 0.004 0.000 0.270 79 K C 0.024 176.659 176.600 0.059 0.000 0.955 79 K CA 0.497 56.805 56.287 0.035 0.000 0.723 79 K CB -2.074 30.430 32.500 0.006 0.000 1.382 79 K HN 0.283 nan 8.250 nan 0.000 0.461 80 V N -2.396 117.569 119.914 0.085 0.000 3.319 80 V HA 0.304 4.427 4.120 0.004 0.000 0.303 80 V C -1.627 174.513 176.094 0.076 0.000 1.094 80 V CA -1.451 60.892 62.300 0.070 0.000 1.106 80 V CB 0.199 32.049 31.823 0.044 0.000 1.099 80 V HN 0.065 nan 8.190 nan 0.000 0.476 81 P HA 0.105 nan 4.420 nan 0.000 0.265 81 P C 0.068 177.259 177.300 -0.182 0.000 1.187 81 P CA 0.233 63.235 63.100 -0.164 0.000 0.766 81 P CB 0.279 31.684 31.700 -0.493 0.000 0.820 82 D N 1.152 121.493 120.400 -0.098 0.000 2.221 82 D HA -0.176 4.466 4.640 0.004 0.000 0.204 82 D C 1.644 177.910 176.300 -0.056 0.000 0.982 82 D CA 1.372 55.359 54.000 -0.022 0.000 0.857 82 D CB -0.497 40.299 40.800 -0.006 0.000 0.934 82 D HN 0.577 nan 8.370 nan 0.000 0.475 83 Y N -1.749 118.444 120.300 -0.178 0.000 2.403 83 Y HA -0.124 4.428 4.550 0.004 0.000 0.291 83 Y C 1.966 177.802 175.900 -0.107 0.000 1.143 83 Y CA 0.342 58.181 58.100 -0.435 0.000 1.257 83 Y CB -1.320 36.682 38.460 -0.763 0.000 0.984 83 Y HN -0.000 nan 8.280 nan 0.000 0.550 84 W N -0.948 120.290 121.300 -0.102 0.000 2.402 84 W HA -0.085 4.577 4.660 0.003 0.000 0.286 84 W C 0.260 176.961 176.519 0.304 0.000 1.221 84 W CA 1.153 58.590 57.345 0.154 0.000 1.257 84 W CB -0.022 29.523 29.460 0.141 0.000 1.120 84 W HN 0.087 nan 8.180 nan 0.000 0.551 85 Y N 0.042 120.515 120.300 0.288 0.000 2.517 85 Y HA 0.325 4.878 4.550 0.005 0.000 0.328 85 Y C -2.739 173.252 175.900 0.152 0.000 1.130 85 Y CA -3.432 54.795 58.100 0.212 0.000 1.280 85 Y CB 0.104 38.669 38.460 0.174 0.000 1.101 85 Y HN -0.312 nan 8.280 nan 0.000 0.610 86 P HA 0.146 nan 4.420 nan 0.000 0.270 86 P C 0.519 177.775 177.300 -0.073 0.000 1.223 86 P CA 0.185 63.298 63.100 0.022 0.000 0.785 86 P CB 0.942 32.697 31.700 0.092 0.000 0.923 87 Q N 0.127 119.912 119.800 -0.026 0.000 2.172 87 Q HA -0.124 4.218 4.340 0.004 0.000 0.200 87 Q C 0.303 176.280 176.000 -0.038 0.000 0.964 87 Q CA 0.800 56.584 55.803 -0.032 0.000 0.855 87 Q CB -0.291 28.445 28.738 -0.003 0.000 0.918 87 Q HN 0.591 nan 8.270 nan 0.000 0.444 88 D N 0.177 120.566 120.400 -0.018 0.000 2.487 88 D HA -0.079 4.564 4.640 0.004 0.000 0.243 88 D C 0.890 177.173 176.300 -0.029 0.000 1.154 88 D CA 0.044 54.039 54.000 -0.009 0.000 0.876 88 D CB 0.670 41.478 40.800 0.014 0.000 1.161 88 D HN 0.024 nan 8.370 nan 0.000 0.478 89 L N 2.810 124.021 121.223 -0.020 0.000 2.083 89 L HA -0.197 4.145 4.340 0.004 0.000 0.209 89 L C 2.247 179.108 176.870 -0.015 0.000 1.083 89 L CA 1.173 55.999 54.840 -0.024 0.000 0.752 89 L CB -0.429 41.626 42.059 -0.006 0.000 0.899 89 L HN 0.650 nan 8.230 nan 0.000 0.433 90 Q N -0.375 119.425 119.800 -0.000 0.000 2.123 90 Q HA -0.111 4.232 4.340 0.004 0.000 0.199 90 Q C 2.462 178.472 176.000 0.017 0.000 0.966 90 Q CA 1.340 57.150 55.803 0.012 0.000 0.845 90 Q CB -0.160 28.587 28.738 0.015 0.000 0.907 90 Q HN 0.526 nan 8.270 nan 0.000 0.439 91 A N 1.354 124.182 122.820 0.013 0.000 1.902 91 A HA -0.217 4.105 4.320 0.004 0.000 0.217 91 A C 2.033 179.621 177.584 0.006 0.000 1.181 91 A CA 1.519 53.573 52.037 0.028 0.000 0.623 91 A CB -0.473 18.559 19.000 0.053 0.000 0.818 91 A HN 0.212 nan 8.150 nan 0.000 0.443 92 R N -0.468 119.985 120.500 -0.078 0.000 2.081 92 R HA -0.084 4.258 4.340 0.004 0.000 0.235 92 R C 2.280 178.547 176.300 -0.056 0.000 1.131 92 R CA 1.380 57.344 56.100 -0.227 0.000 0.960 92 R CB -0.376 29.697 30.300 -0.378 0.000 0.856 92 R HN 0.447 nan 8.270 nan 0.000 0.436 93 A N 0.930 123.754 122.820 0.005 0.000 1.933 93 A HA -0.141 4.181 4.320 0.004 0.000 0.218 93 A C 2.104 179.762 177.584 0.123 0.000 1.175 93 A CA 1.243 53.322 52.037 0.071 0.000 0.628 93 A CB -0.407 18.627 19.000 0.056 0.000 0.814 93 A HN 0.333 nan 8.150 nan 0.000 0.444 94 R N -0.620 119.948 120.500 0.114 0.000 2.105 94 R HA -0.101 4.242 4.340 0.004 0.000 0.239 94 R C 2.004 178.442 176.300 0.231 0.000 1.135 94 R CA 1.496 57.696 56.100 0.167 0.000 0.967 94 R CB -0.531 29.847 30.300 0.130 0.000 0.861 94 R HN 0.429 nan 8.270 nan 0.000 0.442 95 V N 1.373 121.419 119.914 0.221 0.000 2.307 95 V HA -0.221 3.902 4.120 0.004 0.000 0.245 95 V C 1.629 177.920 176.094 0.329 0.000 1.045 95 V CA 1.858 64.339 62.300 0.300 0.000 1.024 95 V CB -0.431 31.621 31.823 0.381 0.000 0.651 95 V HN 0.239 nan 8.190 nan 0.000 0.449 96 D N -0.188 120.402 120.400 0.316 0.000 2.149 96 D HA -0.216 4.427 4.640 0.004 0.000 0.198 96 D C 2.149 178.594 176.300 0.242 0.000 0.990 96 D CA 1.616 55.784 54.000 0.280 0.000 0.839 96 D CB -0.135 40.811 40.800 0.243 0.000 0.948 96 D HN 0.622 nan 8.370 nan 0.000 0.460 97 E N -0.646 119.705 120.200 0.251 0.000 2.072 97 E HA -0.211 4.142 4.350 0.004 0.000 0.191 97 E C 2.115 178.907 176.600 0.320 0.000 0.985 97 E CA 0.591 57.156 56.400 0.275 0.000 0.801 97 E CB -0.133 29.734 29.700 0.279 0.000 0.750 97 E HN 0.317 nan 8.360 nan 0.000 0.452 98 Y N 1.151 121.570 120.300 0.197 0.000 2.145 98 Y HA -0.169 4.383 4.550 0.004 0.000 0.286 98 Y C 1.981 177.931 175.900 0.082 0.000 1.145 98 Y CA 1.644 59.716 58.100 -0.046 0.000 1.148 98 Y CB -0.178 38.097 38.460 -0.308 0.000 0.981 98 Y HN 0.021 nan 8.280 nan 0.000 0.507 99 L N -0.367 120.937 121.223 0.135 0.000 2.131 99 L HA -0.232 4.111 4.340 0.004 0.000 0.210 99 L C 2.705 179.552 176.870 -0.038 0.000 1.092 99 L CA 1.128 55.987 54.840 0.031 0.000 0.759 99 L CB -0.921 41.218 42.059 0.133 0.000 0.903 99 L HN 0.364 nan 8.230 nan 0.000 0.435 100 A N -0.631 122.266 122.820 0.128 0.000 1.872 100 A HA -0.242 4.081 4.320 0.004 0.000 0.214 100 A C 1.986 179.688 177.584 0.197 0.000 1.187 100 A CA 1.078 53.260 52.037 0.241 0.000 0.614 100 A CB -1.013 18.112 19.000 0.208 0.000 0.826 100 A HN 0.582 nan 8.150 nan 0.000 0.442 101 W N 1.875 123.136 121.300 -0.065 0.000 2.321 101 W HA -0.334 4.328 4.660 0.004 0.000 0.306 101 W C 2.277 178.676 176.519 -0.201 0.000 1.217 101 W CA 2.643 59.940 57.345 -0.081 0.000 1.257 101 W CB -0.177 29.292 29.460 0.015 0.000 1.145 101 W HN 0.563 nan 8.180 nan 0.000 0.509 102 Q N -1.264 118.261 119.800 -0.457 0.000 2.291 102 Q HA -0.218 4.124 4.340 0.004 0.000 0.205 102 Q C 1.856 177.540 176.000 -0.527 0.000 0.970 102 Q CA 2.040 57.423 55.803 -0.700 0.000 0.876 102 Q CB -1.445 26.930 28.738 -0.605 0.000 0.935 102 Q HN 0.431 nan 8.270 nan 0.000 0.455 103 H N 0.727 119.612 119.070 -0.308 0.000 2.352 103 H HA -0.079 4.479 4.556 0.004 0.000 0.299 103 H C 1.471 176.656 175.328 -0.238 0.000 1.097 103 H CA 2.163 58.084 56.048 -0.212 0.000 1.311 103 H CB -0.064 29.613 29.762 -0.142 0.000 1.377 103 H HN 0.681 nan 8.280 nan 0.000 0.504 104 T N -2.496 111.951 114.554 -0.178 0.000 3.054 104 T HA 0.073 4.426 4.350 0.004 0.000 0.255 104 T C 1.546 176.073 174.700 -0.289 0.000 1.035 104 T CA 0.598 62.584 62.100 -0.190 0.000 0.941 104 T CB 0.214 68.994 68.868 -0.146 0.000 1.026 104 T HN 0.444 nan 8.240 nan 0.000 0.533 105 T N 0.053 114.311 114.554 -0.493 0.000 3.409 105 T HA 0.328 4.680 4.350 0.004 0.000 0.188 105 T C 1.464 175.917 174.700 -0.411 0.000 0.929 105 T CA 0.039 61.797 62.100 -0.570 0.000 1.184 105 T CB -0.739 67.410 68.868 -1.199 0.000 1.570 105 T HN 0.050 nan 8.240 nan 0.000 0.367 106 L N 1.604 122.514 121.223 -0.523 0.000 2.056 106 L HA 0.264 4.607 4.340 0.004 0.000 0.207 106 L C 2.871 179.675 176.870 -0.110 0.000 1.078 106 L CA 1.716 56.460 54.840 -0.159 0.000 0.749 106 L CB -0.837 41.252 42.059 0.050 0.000 0.901 106 L HN 0.400 nan 8.230 nan 0.000 0.433 107 R N -0.508 119.887 120.500 -0.174 0.000 2.083 107 R HA -0.216 4.126 4.340 0.004 0.000 0.237 107 R C 2.545 178.784 176.300 -0.102 0.000 1.137 107 R CA 1.850 57.876 56.100 -0.123 0.000 0.951 107 R CB -0.329 29.884 30.300 -0.145 0.000 0.851 107 R HN 0.364 nan 8.270 nan 0.000 0.434 108 R N 0.356 120.786 120.500 -0.118 0.000 2.081 108 R HA -0.108 4.234 4.340 0.004 0.000 0.235 108 R C 2.405 178.677 176.300 -0.047 0.000 1.131 108 R CA 2.034 58.081 56.100 -0.088 0.000 0.960 108 R CB -0.220 30.021 30.300 -0.099 0.000 0.856 108 R HN 0.388 nan 8.270 nan 0.000 0.436 109 S N -0.409 115.268 115.700 -0.039 0.000 2.383 109 S HA -0.146 4.327 4.470 0.004 0.000 0.227 109 S C 2.290 176.915 174.600 0.042 0.000 1.026 109 S CA 1.187 59.392 58.200 0.009 0.000 0.981 109 S CB -0.685 62.526 63.200 0.017 0.000 0.818 109 S HN 0.472 nan 8.310 nan 0.000 0.472 110 C N 0.890 120.216 119.300 0.043 0.000 2.446 110 C HA 0.177 4.640 4.460 0.004 0.000 0.277 110 C C 2.598 177.686 174.990 0.163 0.000 1.275 110 C CA 0.539 59.615 59.018 0.097 0.000 1.727 110 C CB -1.518 26.274 27.740 0.087 0.000 2.010 110 C HN 0.609 nan 8.230 nan 0.000 0.486 111 L N 1.202 122.488 121.223 0.105 0.000 2.017 111 L HA -0.093 4.250 4.340 0.004 0.000 0.208 111 L C 2.672 179.663 176.870 0.201 0.000 1.073 111 L CA 1.814 56.776 54.840 0.204 0.000 0.745 111 L CB -0.646 41.431 42.059 0.031 0.000 0.894 111 L HN 0.238 nan 8.230 nan 0.000 0.432 112 R N -0.820 119.709 120.500 0.048 0.000 2.096 112 R HA -0.118 4.225 4.340 0.004 0.000 0.235 112 R C 2.248 178.560 176.300 0.019 0.000 1.127 112 R CA 1.187 57.243 56.100 -0.073 0.000 0.968 112 R CB -0.643 29.613 30.300 -0.073 0.000 0.861 112 R HN 0.513 nan 8.270 nan 0.000 0.440 113 A N 1.288 124.167 122.820 0.097 0.000 1.883 113 A HA -0.183 4.139 4.320 0.004 0.000 0.217 113 A C 2.089 179.724 177.584 0.085 0.000 1.186 113 A CA 1.238 53.342 52.037 0.112 0.000 0.624 113 A CB -0.536 18.520 19.000 0.094 0.000 0.822 113 A HN 0.252 nan 8.150 nan 0.000 0.444 114 L N -1.751 119.506 121.223 0.057 0.000 2.017 114 L HA -0.112 4.231 4.340 0.004 0.000 0.208 114 L C 2.185 178.931 176.870 -0.206 0.000 1.073 114 L CA 1.934 56.698 54.840 -0.126 0.000 0.745 114 L CB -0.643 41.256 42.059 -0.266 0.000 0.894 114 L HN 0.584 nan 8.230 nan 0.000 0.432 115 W N -0.819 120.439 121.300 -0.071 0.000 2.443 115 W HA -0.054 4.608 4.660 0.004 0.000 0.296 115 W C 2.705 179.351 176.519 0.213 0.000 1.202 115 W CA 1.666 58.944 57.345 -0.112 0.000 1.312 115 W CB -0.533 28.710 29.460 -0.362 0.000 1.120 115 W HN 0.267 nan 8.180 nan 0.000 0.536 116 H N -0.792 118.533 119.070 0.424 0.000 2.423 116 H HA -0.078 4.481 4.556 0.004 0.000 0.297 116 H C 2.038 177.489 175.328 0.205 0.000 1.075 116 H CA 1.199 57.457 56.048 0.350 0.000 1.342 116 H CB 0.162 30.067 29.762 0.239 0.000 1.395 116 H HN 0.074 nan 8.280 nan 0.000 0.530 117 K N 0.157 120.703 120.400 0.244 0.000 2.128 117 K HA -0.019 4.303 4.320 0.004 0.000 0.202 117 K C 1.322 177.971 176.600 0.083 0.000 1.050 117 K CA 0.814 57.180 56.287 0.131 0.000 0.966 117 K CB 0.620 33.165 32.500 0.076 0.000 0.759 117 K HN 0.046 nan 8.250 nan 0.000 0.454 118 V N -0.355 119.577 119.914 0.029 0.000 3.161 118 V HA -0.014 4.108 4.120 0.004 0.000 0.221 118 V C 1.842 177.908 176.094 -0.047 0.000 1.296 118 V CA 0.049 62.327 62.300 -0.037 0.000 1.306 118 V CB 0.165 31.907 31.823 -0.136 0.000 1.171 118 V HN 0.169 nan 8.190 nan 0.000 0.513 119 M N -0.633 118.825 119.600 -0.238 0.000 2.254 119 M HA -0.007 4.475 4.480 0.004 0.000 0.265 119 M C 2.087 178.415 176.300 0.047 0.000 1.066 119 M CA 1.811 56.877 55.300 -0.390 0.000 1.123 119 M CB -0.837 30.829 32.600 -1.557 0.000 1.388 119 M HN 0.317 nan 8.290 nan 0.000 0.425 120 F N 1.259 121.365 119.950 0.259 0.000 2.039 120 F HA -0.138 4.392 4.527 0.004 0.000 0.294 120 F C -0.185 175.734 175.800 0.199 0.000 1.130 120 F CA 1.584 59.788 58.000 0.340 0.000 1.189 120 F CB -1.757 37.451 39.000 0.347 0.000 0.983 120 F HN 0.120 nan 8.300 nan 0.000 0.471 121 P HA -0.099 nan 4.420 nan 0.000 0.217 121 P C 1.598 178.994 177.300 0.160 0.000 1.150 121 P CA 1.551 64.776 63.100 0.208 0.000 0.832 121 P CB -0.025 31.766 31.700 0.151 0.000 0.787 122 V N -0.773 119.234 119.914 0.155 0.000 2.326 122 V HA -0.116 4.007 4.120 0.004 0.000 0.238 122 V C 2.484 178.689 176.094 0.185 0.000 1.038 122 V CA 1.389 63.769 62.300 0.133 0.000 1.032 122 V CB -1.399 30.480 31.823 0.093 0.000 0.675 122 V HN -0.071 nan 8.190 nan 0.000 0.467 123 F N 0.350 120.341 119.950 0.068 0.000 2.163 123 F HA 0.028 4.558 4.527 0.004 0.000 0.297 123 F C 1.803 177.692 175.800 0.149 0.000 1.094 123 F CA 1.637 59.697 58.000 0.101 0.000 1.290 123 F CB -0.041 39.006 39.000 0.078 0.000 1.017 123 F HN -0.025 nan 8.300 nan 0.000 0.483 124 L N -0.222 121.022 121.223 0.034 0.000 2.607 124 L HA 0.276 4.619 4.340 0.004 0.000 0.228 124 L C 1.439 178.352 176.870 0.071 0.000 1.123 124 L CA 0.486 55.324 54.840 -0.004 0.000 0.890 124 L CB -0.818 41.414 42.059 0.288 0.000 1.103 124 L HN 0.362 nan 8.230 nan 0.000 0.468 125 G N 1.149 110.004 108.800 0.092 0.000 2.305 125 G HA2 -0.248 3.714 3.960 0.004 0.000 0.287 125 G HA3 -0.248 3.714 3.960 0.004 0.000 0.287 125 G C 0.012 174.972 174.900 0.101 0.000 1.036 125 G CA 0.147 45.295 45.100 0.080 0.000 0.887 125 G HN 0.324 nan 8.290 nan 0.000 0.505 126 E N 0.363 120.664 120.200 0.169 0.000 2.141 126 E HA 0.339 4.692 4.350 0.004 0.000 0.259 126 E C -2.370 174.285 176.600 0.092 0.000 0.883 126 E CA -1.984 54.492 56.400 0.126 0.000 0.744 126 E CB 1.693 31.498 29.700 0.175 0.000 1.150 126 E HN 0.168 nan 8.360 nan 0.000 0.420 127 P HA 0.012 nan 4.420 nan 0.000 0.268 127 P C -0.422 176.859 177.300 -0.031 0.000 1.205 127 P CA -0.101 63.012 63.100 0.021 0.000 0.771 127 P CB 0.703 32.405 31.700 0.004 0.000 0.858 128 V N 2.571 122.477 119.914 -0.013 0.000 2.483 128 V HA 0.281 4.403 4.120 0.004 0.000 0.295 128 V C 0.525 176.575 176.094 -0.074 0.000 1.035 128 V CA -0.567 61.687 62.300 -0.077 0.000 0.896 128 V CB 1.547 33.360 31.823 -0.016 0.000 0.986 128 V HN 0.673 nan 8.190 nan 0.000 0.447 129 S N 5.176 120.809 115.700 -0.111 0.000 2.560 129 S HA 0.193 4.665 4.470 0.004 0.000 0.284 129 S C -1.623 172.934 174.600 -0.071 0.000 1.327 129 S CA -0.613 57.539 58.200 -0.081 0.000 1.055 129 S CB 0.945 64.094 63.200 -0.085 0.000 0.868 129 S HN 0.582 nan 8.310 nan 0.000 0.506 130 P HA -0.149 nan 4.420 nan 0.000 0.218 130 P C 1.608 178.890 177.300 -0.031 0.000 1.148 130 P CA 1.137 64.222 63.100 -0.026 0.000 0.822 130 P CB 0.015 31.707 31.700 -0.013 0.000 0.784 131 Q N -0.645 119.132 119.800 -0.039 0.000 2.084 131 Q HA -0.138 4.204 4.340 0.004 0.000 0.202 131 Q C 1.648 177.618 176.000 -0.051 0.000 0.978 131 Q CA 2.072 57.853 55.803 -0.035 0.000 0.844 131 Q CB -0.588 28.129 28.738 -0.034 0.000 0.898 131 Q HN 0.137 nan 8.270 nan 0.000 0.426 132 T N 1.478 115.975 114.554 -0.096 0.000 2.777 132 T HA -0.132 4.220 4.350 0.004 0.000 0.266 132 T C 1.715 176.332 174.700 -0.138 0.000 1.040 132 T CA 1.116 63.120 62.100 -0.161 0.000 1.141 132 T CB -0.255 68.426 68.868 -0.312 0.000 0.868 132 T HN 0.239 nan 8.240 nan 0.000 0.444 133 L N 1.596 122.758 121.223 -0.101 0.000 2.017 133 L HA 0.064 4.406 4.340 0.004 0.000 0.208 133 L C 2.628 179.518 176.870 0.033 0.000 1.073 133 L CA 1.930 56.770 54.840 -0.000 0.000 0.745 133 L CB -1.063 41.009 42.059 0.022 0.000 0.894 133 L HN 0.221 nan 8.230 nan 0.000 0.432 134 A N -0.461 122.367 122.820 0.012 0.000 1.908 134 A HA -0.171 4.151 4.320 0.004 0.000 0.218 134 A C 2.445 180.046 177.584 0.029 0.000 1.181 134 A CA 2.065 54.115 52.037 0.020 0.000 0.627 134 A CB -1.218 17.787 19.000 0.009 0.000 0.818 134 A HN 0.601 nan 8.150 nan 0.000 0.445 135 A N -1.389 121.445 122.820 0.023 0.000 1.898 135 A HA -0.046 4.277 4.320 0.004 0.000 0.216 135 A C 2.306 179.928 177.584 0.064 0.000 1.181 135 A CA 2.194 54.252 52.037 0.034 0.000 0.620 135 A CB -1.189 17.825 19.000 0.024 0.000 0.819 135 A HN 0.420 nan 8.150 nan 0.000 0.442 136 T N 0.575 115.187 114.554 0.097 0.000 2.708 136 T HA -0.084 4.269 4.350 0.004 0.000 0.266 136 T C 1.799 176.563 174.700 0.107 0.000 1.037 136 T CA 1.501 63.691 62.100 0.150 0.000 1.146 136 T CB -0.378 68.669 68.868 0.299 0.000 0.865 136 T HN 0.373 nan 8.240 nan 0.000 0.435 137 L N 0.657 121.933 121.223 0.088 0.000 2.093 137 L HA -0.047 4.295 4.340 0.004 0.000 0.208 137 L C 3.050 179.952 176.870 0.053 0.000 1.085 137 L CA 1.116 55.996 54.840 0.067 0.000 0.755 137 L CB -0.711 41.382 42.059 0.056 0.000 0.904 137 L HN 0.239 nan 8.230 nan 0.000 0.435 138 A N 0.161 123.010 122.820 0.048 0.000 1.902 138 A HA -0.249 4.074 4.320 0.004 0.000 0.217 138 A C 2.204 179.816 177.584 0.046 0.000 1.181 138 A CA 1.906 53.968 52.037 0.041 0.000 0.623 138 A CB -0.417 18.604 19.000 0.035 0.000 0.818 138 A HN 0.390 nan 8.150 nan 0.000 0.443 139 E N -0.173 120.059 120.200 0.052 0.000 2.106 139 E HA -0.146 4.207 4.350 0.004 0.000 0.192 139 E C 1.751 178.385 176.600 0.056 0.000 0.984 139 E CA 1.192 57.624 56.400 0.052 0.000 0.806 139 E CB -0.437 29.294 29.700 0.052 0.000 0.750 139 E HN 0.414 nan 8.360 nan 0.000 0.458 140 L N 0.802 122.059 121.223 0.057 0.000 2.046 140 L HA -0.133 4.209 4.340 0.004 0.000 0.208 140 L C 1.543 178.444 176.870 0.052 0.000 1.077 140 L CA 2.170 57.043 54.840 0.055 0.000 0.747 140 L CB -0.748 41.342 42.059 0.053 0.000 0.896 140 L HN 0.049 nan 8.230 nan 0.000 0.432 141 D N -0.789 119.637 120.400 0.044 0.000 2.123 141 D HA -0.180 4.463 4.640 0.004 0.000 0.196 141 D C 2.337 178.668 176.300 0.051 0.000 0.992 141 D CA 1.655 55.678 54.000 0.038 0.000 0.833 141 D CB -0.277 40.542 40.800 0.032 0.000 0.954 141 D HN 0.260 nan 8.370 nan 0.000 0.455 142 V N 0.917 120.867 119.914 0.061 0.000 2.287 142 V HA -0.263 3.859 4.120 0.004 0.000 0.248 142 V C 2.699 178.865 176.094 0.119 0.000 1.053 142 V CA 2.298 64.644 62.300 0.077 0.000 1.027 142 V CB -1.027 30.839 31.823 0.072 0.000 0.646 142 V HN 0.421 nan 8.190 nan 0.000 0.447 143 T N -1.637 112.997 114.554 0.135 0.000 2.867 143 T HA -0.097 4.256 4.350 0.004 0.000 0.268 143 T C 1.848 176.687 174.700 0.231 0.000 1.057 143 T CA 1.329 63.565 62.100 0.226 0.000 1.136 143 T CB -0.435 68.534 68.868 0.168 0.000 0.874 143 T HN 0.374 nan 8.240 nan 0.000 0.466 144 L N 0.355 121.654 121.223 0.127 0.000 2.093 144 L HA -0.034 4.309 4.340 0.004 0.000 0.208 144 L C 3.133 180.038 176.870 0.058 0.000 1.085 144 L CA 1.243 56.128 54.840 0.076 0.000 0.755 144 L CB -0.631 41.435 42.059 0.011 0.000 0.904 144 L HN 0.278 nan 8.230 nan 0.000 0.435 145 Q N 0.583 120.419 119.800 0.059 0.000 2.084 145 Q HA -0.169 4.174 4.340 0.004 0.000 0.202 145 Q C 2.175 178.195 176.000 0.033 0.000 0.978 145 Q CA 1.698 57.521 55.803 0.035 0.000 0.844 145 Q CB -0.279 28.479 28.738 0.033 0.000 0.898 145 Q HN 0.442 nan 8.270 nan 0.000 0.426 146 L N -0.506 120.770 121.223 0.089 0.000 2.046 146 L HA -0.173 4.170 4.340 0.004 0.000 0.208 146 L C 2.206 179.089 176.870 0.022 0.000 1.077 146 L CA 0.691 55.570 54.840 0.064 0.000 0.747 146 L CB -0.553 41.649 42.059 0.239 0.000 0.896 146 L HN 0.302 nan 8.230 nan 0.000 0.432 147 L N -0.003 121.296 121.223 0.127 0.000 2.043 147 L HA -0.254 4.089 4.340 0.004 0.000 0.212 147 L C 2.418 179.276 176.870 -0.019 0.000 1.075 147 L CA 1.879 56.784 54.840 0.109 0.000 0.752 147 L CB -0.424 41.681 42.059 0.075 0.000 0.891 147 L HN 0.247 nan 8.230 nan 0.000 0.432 148 E N -1.012 119.155 120.200 -0.055 0.000 2.051 148 E HA -0.158 4.195 4.350 0.004 0.000 0.189 148 E C 1.703 178.244 176.600 -0.099 0.000 0.979 148 E CA 1.201 57.545 56.400 -0.093 0.000 0.803 148 E CB -0.072 29.591 29.700 -0.062 0.000 0.761 148 E HN 0.543 nan 8.360 nan 0.000 0.451 149 D N 0.456 120.797 120.400 -0.097 0.000 2.162 149 D HA -0.107 4.535 4.640 0.004 0.000 0.203 149 D C 1.875 178.052 176.300 -0.205 0.000 0.967 149 D CA 1.017 54.943 54.000 -0.122 0.000 0.840 149 D CB 0.038 40.782 40.800 -0.093 0.000 0.972 149 D HN -0.059 nan 8.370 nan 0.000 0.482 150 K N -0.339 119.866 120.400 -0.324 0.000 2.128 150 K HA 0.047 4.369 4.320 0.004 0.000 0.202 150 K C 1.458 177.646 176.600 -0.686 0.000 1.050 150 K CA 0.896 56.815 56.287 -0.612 0.000 0.966 150 K CB -0.212 31.698 32.500 -0.983 0.000 0.759 150 K HN 0.036 nan 8.250 nan 0.000 0.454 151 F N -0.514 119.294 119.950 -0.237 0.000 2.389 151 F HA 0.173 4.702 4.527 0.004 0.000 0.275 151 F C 1.871 177.549 175.800 -0.203 0.000 1.009 151 F CA 0.110 57.984 58.000 -0.210 0.000 1.187 151 F CB -0.973 37.894 39.000 -0.222 0.000 1.139 151 F HN -0.087 nan 8.300 nan 0.000 0.613 152 L N 0.286 121.466 121.223 -0.071 0.000 2.017 152 L HA -0.147 4.196 4.340 0.004 0.000 0.208 152 L C 1.295 178.095 176.870 -0.116 0.000 1.073 152 L CA 1.699 56.434 54.840 -0.175 0.000 0.745 152 L CB -0.907 40.951 42.059 -0.335 0.000 0.894 152 L HN 0.405 nan 8.230 nan 0.000 0.432 153 Q N -1.347 118.386 119.800 -0.110 0.000 1.932 153 Q HA -0.356 3.986 4.340 0.004 0.000 0.407 153 Q C 0.442 176.399 176.000 -0.071 0.000 0.787 153 Q CA 1.817 57.567 55.803 -0.088 0.000 0.852 153 Q CB -1.341 27.346 28.738 -0.085 0.000 3.472 153 Q HN 0.477 nan 8.270 nan 0.000 0.793 154 N N 1.638 120.305 118.700 -0.055 0.000 2.279 154 N HA 0.177 4.919 4.740 0.004 0.000 0.226 154 N C -0.673 174.814 175.510 -0.037 0.000 1.126 154 N CA 0.379 53.404 53.050 -0.043 0.000 0.846 154 N CB 0.392 38.859 38.487 -0.033 0.000 1.050 154 N HN 0.178 nan 8.380 nan 0.000 0.502 155 K N -0.328 120.046 120.400 -0.042 0.000 2.132 155 K HA 0.504 4.826 4.320 0.004 0.000 0.241 155 K C 0.935 177.510 176.600 -0.041 0.000 1.000 155 K CA -0.509 55.765 56.287 -0.023 0.000 0.911 155 K CB 1.151 33.650 32.500 -0.003 0.000 1.093 155 K HN -0.129 nan 8.250 nan 0.000 0.460 156 A N 1.175 123.981 122.820 -0.025 0.000 1.929 156 A HA 0.047 4.369 4.320 0.004 0.000 0.216 156 A C 0.197 177.559 177.584 -0.370 0.000 1.176 156 A CA 1.246 53.179 52.037 -0.175 0.000 0.628 156 A CB -0.178 18.775 19.000 -0.078 0.000 0.816 156 A HN 0.512 nan 8.150 nan 0.000 0.444 157 F N -2.960 117.048 119.950 0.097 0.000 2.691 157 F HA 0.453 4.982 4.527 0.004 0.000 0.334 157 F C 1.005 176.812 175.800 0.012 0.000 1.107 157 F CA -0.813 57.292 58.000 0.175 0.000 0.991 157 F CB 1.063 40.138 39.000 0.125 0.000 1.400 157 F HN -0.161 nan 8.300 nan 0.000 0.503 158 L N -0.012 121.341 121.223 0.216 0.000 2.201 158 L HA -0.087 4.256 4.340 0.004 0.000 0.212 158 L C 1.736 178.642 176.870 0.060 0.000 1.105 158 L CA 1.795 56.629 54.840 -0.009 0.000 0.775 158 L CB -0.687 41.261 42.059 -0.186 0.000 0.913 158 L HN 0.849 nan 8.230 nan 0.000 0.440 159 T N -4.478 110.122 114.554 0.077 0.000 3.040 159 T HA 0.530 4.882 4.350 0.004 0.000 0.266 159 T C 0.525 175.214 174.700 -0.017 0.000 1.005 159 T CA 0.188 62.320 62.100 0.053 0.000 0.906 159 T CB 0.999 69.915 68.868 0.079 0.000 1.082 159 T HN 0.367 nan 8.240 nan 0.000 0.531 160 G N 2.049 110.828 108.800 -0.034 0.000 2.367 160 G HA2 0.353 4.316 3.960 0.004 0.000 0.272 160 G HA3 0.353 4.316 3.960 0.004 0.000 0.272 160 G C -2.643 172.245 174.900 -0.020 0.000 1.271 160 G CA -0.212 44.839 45.100 -0.081 0.000 0.893 160 G HN -0.135 nan 8.290 nan 0.000 0.485 161 P HA 0.177 nan 4.420 nan 0.000 0.249 161 P C -0.092 177.327 177.300 0.197 0.000 1.229 161 P CA 0.856 64.035 63.100 0.131 0.000 0.788 161 P CB -0.224 31.536 31.700 0.099 0.000 1.072 162 H N -2.714 116.348 119.070 -0.013 0.000 2.928 162 H HA 0.503 5.062 4.556 0.004 0.000 0.371 162 H C -0.326 174.408 175.328 -0.990 0.000 1.186 162 H CA -1.400 54.315 56.048 -0.554 0.000 1.134 162 H CB 0.327 29.840 29.762 -0.414 0.000 1.824 162 H HN -0.249 nan 8.280 nan 0.000 0.554 163 I N 2.082 121.772 120.570 -1.467 0.000 2.872 163 I HA 0.159 4.332 4.170 0.004 0.000 0.291 163 I C 0.032 176.057 176.117 -0.154 0.000 1.216 163 I CA 0.785 61.551 61.300 -0.890 0.000 1.424 163 I CB 0.297 37.877 38.000 -0.699 0.000 1.351 163 I HN 0.953 nan 8.210 nan 0.000 0.592 164 S N 5.735 121.505 115.700 0.118 0.000 2.806 164 S HA 0.413 4.886 4.470 0.004 0.000 0.306 164 S C 0.703 175.663 174.600 0.599 0.000 1.167 164 S CA -0.953 57.481 58.200 0.391 0.000 0.847 164 S CB 1.180 64.573 63.200 0.322 0.000 1.216 164 S HN 0.630 nan 8.310 nan 0.000 0.532 165 L N 0.680 122.274 121.223 0.618 0.000 2.129 165 L HA -0.120 4.223 4.340 0.004 0.000 0.212 165 L C 3.061 180.105 176.870 0.289 0.000 1.087 165 L CA 1.807 56.879 54.840 0.387 0.000 0.757 165 L CB -1.124 41.030 42.059 0.159 0.000 0.896 165 L HN 0.920 nan 8.230 nan 0.000 0.434 166 A N 0.484 123.461 122.820 0.262 0.000 1.883 166 A HA -0.274 4.048 4.320 0.004 0.000 0.217 166 A C 1.831 179.430 177.584 0.025 0.000 1.186 166 A CA 2.345 54.453 52.037 0.118 0.000 0.624 166 A CB -0.713 18.288 19.000 0.001 0.000 0.822 166 A HN 0.449 nan 8.150 nan 0.000 0.444 167 D N -0.738 119.788 120.400 0.211 0.000 2.178 167 D HA -0.103 4.540 4.640 0.004 0.000 0.201 167 D C 1.736 178.266 176.300 0.382 0.000 0.980 167 D CA 1.063 55.303 54.000 0.400 0.000 0.842 167 D CB -0.135 40.978 40.800 0.522 0.000 0.948 167 D HN 0.347 nan 8.370 nan 0.000 0.472 168 L N 0.397 121.841 121.223 0.368 0.000 2.056 168 L HA -0.094 4.248 4.340 0.004 0.000 0.207 168 L C 1.961 178.996 176.870 0.276 0.000 1.078 168 L CA 1.337 56.383 54.840 0.344 0.000 0.749 168 L CB -0.337 41.935 42.059 0.354 0.000 0.901 168 L HN -0.040 nan 8.230 nan 0.000 0.433 169 V N -0.041 120.018 119.914 0.242 0.000 2.358 169 V HA -0.244 3.879 4.120 0.004 0.000 0.246 169 V C 2.767 179.038 176.094 0.296 0.000 1.047 169 V CA 1.545 63.983 62.300 0.230 0.000 1.035 169 V CB -1.262 30.698 31.823 0.229 0.000 0.658 169 V HN 0.587 nan 8.190 nan 0.000 0.452 170 A N -0.190 122.828 122.820 0.329 0.000 1.873 170 A HA -0.191 4.131 4.320 0.004 0.000 0.215 170 A C 2.157 180.025 177.584 0.474 0.000 1.186 170 A CA 1.987 54.261 52.037 0.395 0.000 0.616 170 A CB -0.571 18.565 19.000 0.228 0.000 0.823 170 A HN 0.428 nan 8.150 nan 0.000 0.442 171 I N 0.696 121.559 120.570 0.488 0.000 2.226 171 I HA -0.201 3.972 4.170 0.004 0.000 0.245 171 I C 2.662 179.015 176.117 0.393 0.000 1.100 171 I CA 2.411 63.962 61.300 0.418 0.000 1.374 171 I CB -0.393 37.740 38.000 0.220 0.000 1.057 171 I HN 0.517 nan 8.210 nan 0.000 0.413 172 T N -2.721 112.047 114.554 0.357 0.000 2.867 172 T HA -0.116 4.236 4.350 0.004 0.000 0.268 172 T C 1.718 176.581 174.700 0.271 0.000 1.057 172 T CA 1.258 63.570 62.100 0.354 0.000 1.136 172 T CB -0.573 68.441 68.868 0.243 0.000 0.874 172 T HN 0.458 nan 8.240 nan 0.000 0.466 173 E N 1.287 121.622 120.200 0.225 0.000 2.051 173 E HA -0.001 4.352 4.350 0.004 0.000 0.192 173 E C 2.170 178.896 176.600 0.210 0.000 0.991 173 E CA 1.107 57.599 56.400 0.154 0.000 0.799 173 E CB -0.376 29.413 29.700 0.148 0.000 0.748 173 E HN 0.456 nan 8.360 nan 0.000 0.449 174 L N 0.452 121.838 121.223 0.272 0.000 2.201 174 L HA -0.129 4.214 4.340 0.004 0.000 0.212 174 L C 2.312 179.342 176.870 0.267 0.000 1.105 174 L CA 0.392 55.380 54.840 0.247 0.000 0.775 174 L CB -0.217 42.025 42.059 0.305 0.000 0.913 174 L HN 0.238 nan 8.230 nan 0.000 0.440 175 M N -1.382 118.397 119.600 0.298 0.000 2.476 175 M HA -0.142 4.340 4.480 0.004 0.000 0.262 175 M C 1.941 178.389 176.300 0.245 0.000 1.079 175 M CA 1.301 56.751 55.300 0.249 0.000 1.104 175 M CB -1.107 31.569 32.600 0.126 0.000 1.409 175 M HN 0.224 nan 8.290 nan 0.000 0.467 176 H N 1.085 120.225 119.070 0.118 0.000 2.270 176 H HA -0.058 4.501 4.556 0.005 0.000 0.299 176 H C -0.612 174.736 175.328 0.034 0.000 1.077 176 H CA 2.135 58.221 56.048 0.064 0.000 1.294 176 H CB -1.473 28.329 29.762 0.066 0.000 1.371 176 H HN 0.161 nan 8.280 nan 0.000 0.491 177 P HA -0.125 nan 4.420 nan 0.000 0.218 177 P C 1.614 178.944 177.300 0.050 0.000 1.148 177 P CA 1.071 64.212 63.100 0.069 0.000 0.822 177 P CB 0.037 31.776 31.700 0.065 0.000 0.784 178 V N 0.749 120.717 119.914 0.091 0.000 2.295 178 V HA -0.159 3.963 4.120 0.004 0.000 0.246 178 V C 2.854 178.970 176.094 0.036 0.000 1.049 178 V CA 2.478 64.840 62.300 0.103 0.000 1.024 178 V CB -1.963 29.977 31.823 0.195 0.000 0.648 178 V HN 0.164 nan 8.190 nan 0.000 0.447 179 G N -0.402 108.396 108.800 -0.004 0.000 2.450 179 G HA2 -0.186 3.776 3.960 0.004 0.000 0.220 179 G HA3 -0.186 3.776 3.960 0.004 0.000 0.220 179 G C 1.555 176.381 174.900 -0.123 0.000 1.130 179 G CA 0.925 45.972 45.100 -0.087 0.000 0.760 179 G HN 0.638 nan 8.290 nan 0.000 0.557 180 A N -0.370 122.389 122.820 -0.103 0.000 2.206 180 A HA 0.451 4.774 4.320 0.004 0.000 0.211 180 A C 2.055 179.612 177.584 -0.045 0.000 1.158 180 A CA 1.317 53.297 52.037 -0.095 0.000 0.761 180 A CB -0.430 18.525 19.000 -0.074 0.000 0.801 180 A HN 1.597 nan 8.150 nan 0.000 0.473 181 G N -1.768 107.018 108.800 -0.022 0.000 2.136 181 G HA2 -0.267 3.696 3.960 0.004 0.000 0.242 181 G HA3 -0.267 3.696 3.960 0.004 0.000 0.242 181 G C 0.261 175.171 174.900 0.017 0.000 0.989 181 G CA 0.051 45.150 45.100 -0.000 0.000 0.682 181 G HN 0.598 nan 8.290 nan 0.000 0.522 182 C N 0.440 119.753 119.300 0.022 0.000 2.657 182 C HA 0.407 4.870 4.460 0.004 0.000 0.404 182 C C 1.274 176.283 174.990 0.033 0.000 1.291 182 C CA -0.171 58.863 59.018 0.027 0.000 2.218 182 C CB 0.824 28.580 27.740 0.027 0.000 2.687 182 C HN 0.593 nan 8.230 nan 0.000 0.634 183 Q N 1.427 121.244 119.800 0.027 0.000 2.837 183 Q HA 0.135 4.477 4.340 0.004 0.000 0.235 183 Q C 0.713 176.715 176.000 0.003 0.000 1.348 183 Q CA -0.228 55.594 55.803 0.031 0.000 0.990 183 Q CB 0.341 29.096 28.738 0.029 0.000 1.570 183 Q HN 0.668 nan 8.270 nan 0.000 0.575 184 V N 0.310 120.212 119.914 -0.021 0.000 2.300 184 V HA -0.145 3.978 4.120 0.004 0.000 0.241 184 V C 1.200 177.134 176.094 -0.267 0.000 1.034 184 V CA 1.515 63.698 62.300 -0.195 0.000 1.021 184 V CB -0.230 31.392 31.823 -0.335 0.000 0.662 184 V HN 0.606 nan 8.190 nan 0.000 0.458 185 F N -0.331 119.662 119.950 0.071 0.000 2.698 185 F HA 0.196 4.725 4.527 0.004 0.000 0.295 185 F C 1.240 177.069 175.800 0.047 0.000 1.124 185 F CA -0.023 58.019 58.000 0.069 0.000 1.426 185 F CB -0.000 39.038 39.000 0.063 0.000 1.120 185 F HN 0.108 nan 8.300 nan 0.000 0.583 186 E N 0.655 120.958 120.200 0.172 0.000 2.415 186 E HA 0.231 4.584 4.350 0.004 0.000 0.260 186 E C 1.101 177.743 176.600 0.069 0.000 1.016 186 E CA 0.720 57.182 56.400 0.103 0.000 0.924 186 E CB 0.282 30.027 29.700 0.076 0.000 0.961 186 E HN 0.448 nan 8.360 nan 0.000 0.459 187 G N 4.185 113.024 108.800 0.064 0.000 2.175 187 G HA2 -0.315 3.647 3.960 0.004 0.000 0.244 187 G HA3 -0.315 3.647 3.960 0.004 0.000 0.244 187 G C 0.316 175.244 174.900 0.047 0.000 0.982 187 G CA -0.185 44.942 45.100 0.045 0.000 0.641 187 G HN 0.535 nan 8.290 nan 0.000 0.527 188 R N 0.152 120.695 120.500 0.072 0.000 2.629 188 R HA 0.304 4.647 4.340 0.004 0.000 0.277 188 R C -2.052 174.317 176.300 0.115 0.000 1.637 188 R CA -1.529 54.617 56.100 0.076 0.000 1.663 188 R CB 1.579 31.914 30.300 0.058 0.000 1.228 188 R HN 0.110 nan 8.270 nan 0.000 0.632 189 P HA -0.155 nan 4.420 nan 0.000 0.218 189 P C 0.752 178.102 177.300 0.084 0.000 1.149 189 P CA 1.107 64.252 63.100 0.076 0.000 0.817 189 P CB 0.342 32.067 31.700 0.042 0.000 0.785 190 K N -0.584 119.858 120.400 0.070 0.000 2.097 190 K HA -0.053 4.270 4.320 0.004 0.000 0.206 190 K C 2.023 178.708 176.600 0.141 0.000 1.049 190 K CA 1.072 57.397 56.287 0.064 0.000 0.933 190 K CB -0.582 31.928 32.500 0.016 0.000 0.717 190 K HN 0.196 nan 8.250 nan 0.000 0.442 191 L N 0.176 121.519 121.223 0.200 0.000 2.156 191 L HA -0.099 4.244 4.340 0.004 0.000 0.208 191 L C 2.530 179.751 176.870 0.586 0.000 1.095 191 L CA 0.731 55.824 54.840 0.421 0.000 0.770 191 L CB -0.490 41.782 42.059 0.353 0.000 0.914 191 L HN 0.180 nan 8.230 nan 0.000 0.439 192 A N 0.400 123.455 122.820 0.392 0.000 1.898 192 A HA -0.203 4.120 4.320 0.004 0.000 0.216 192 A C 2.438 180.025 177.584 0.004 0.000 1.181 192 A CA 2.200 54.337 52.037 0.167 0.000 0.620 192 A CB -0.853 18.220 19.000 0.122 0.000 0.819 192 A HN 0.509 nan 8.150 nan 0.000 0.442 193 T N -4.368 110.217 114.554 0.053 0.000 2.857 193 T HA -0.210 4.143 4.350 0.004 0.000 0.266 193 T C 1.665 176.343 174.700 -0.037 0.000 1.048 193 T CA 1.410 63.498 62.100 -0.019 0.000 1.139 193 T CB -0.562 68.299 68.868 -0.012 0.000 0.874 193 T HN 0.638 nan 8.240 nan 0.000 0.455 194 W N 2.758 123.971 121.300 -0.144 0.000 2.335 194 W HA -0.083 4.580 4.660 0.005 0.000 0.311 194 W C 2.651 179.069 176.519 -0.169 0.000 1.213 194 W CA 1.466 58.692 57.345 -0.199 0.000 1.274 194 W CB -0.338 29.053 29.460 -0.114 0.000 1.148 194 W HN 0.184 nan 8.180 nan 0.000 0.498 195 R N 0.064 120.352 120.500 -0.354 0.000 2.083 195 R HA -0.240 4.102 4.340 0.004 0.000 0.237 195 R C 2.258 178.188 176.300 -0.616 0.000 1.137 195 R CA 2.065 57.742 56.100 -0.706 0.000 0.951 195 R CB -0.614 29.209 30.300 -0.797 0.000 0.851 195 R HN 0.191 nan 8.270 nan 0.000 0.434 196 Q N 0.426 119.969 119.800 -0.428 0.000 2.124 196 Q HA -0.146 4.197 4.340 0.004 0.000 0.202 196 Q C 2.161 177.983 176.000 -0.298 0.000 0.977 196 Q CA 1.506 57.102 55.803 -0.345 0.000 0.850 196 Q CB -0.250 28.346 28.738 -0.236 0.000 0.901 196 Q HN 0.449 nan 8.270 nan 0.000 0.429 197 R N -0.173 120.149 120.500 -0.296 0.000 2.096 197 R HA -0.070 4.273 4.340 0.004 0.000 0.235 197 R C 2.398 178.652 176.300 -0.077 0.000 1.127 197 R CA 1.166 57.140 56.100 -0.211 0.000 0.968 197 R CB -0.286 29.765 30.300 -0.415 0.000 0.861 197 R HN 0.071 nan 8.270 nan 0.000 0.440 198 V N 1.287 121.046 119.914 -0.258 0.000 2.307 198 V HA -0.213 3.909 4.120 0.004 0.000 0.245 198 V C 2.088 178.073 176.094 -0.183 0.000 1.045 198 V CA 1.726 63.932 62.300 -0.157 0.000 1.024 198 V CB -0.426 31.113 31.823 -0.473 0.000 0.651 198 V HN 0.337 nan 8.190 nan 0.000 0.449 199 E N 0.325 120.272 120.200 -0.421 0.000 2.097 199 E HA -0.266 4.087 4.350 0.004 0.000 0.196 199 E C 2.333 178.833 176.600 -0.168 0.000 1.000 199 E CA 1.476 57.606 56.400 -0.450 0.000 0.804 199 E CB -0.341 28.948 29.700 -0.685 0.000 0.740 199 E HN 0.600 nan 8.360 nan 0.000 0.454 200 A N 1.487 124.223 122.820 -0.140 0.000 1.877 200 A HA -0.141 4.181 4.320 0.004 0.000 0.216 200 A C 2.399 179.973 177.584 -0.017 0.000 1.186 200 A CA 1.852 53.851 52.037 -0.064 0.000 0.620 200 A CB -0.620 18.344 19.000 -0.060 0.000 0.822 200 A HN 0.305 nan 8.150 nan 0.000 0.443 201 A N -1.009 121.811 122.820 -0.000 0.000 1.969 201 A HA 0.073 4.396 4.320 0.004 0.000 0.218 201 A C 2.163 179.782 177.584 0.059 0.000 1.169 201 A CA 1.677 53.706 52.037 -0.014 0.000 0.635 201 A CB -0.624 18.340 19.000 -0.060 0.000 0.810 201 A HN 0.379 nan 8.150 nan 0.000 0.445 202 V N -1.028 118.959 119.914 0.121 0.000 2.788 202 V HA 0.296 4.419 4.120 0.004 0.000 0.251 202 V C 1.239 177.435 176.094 0.170 0.000 1.068 202 V CA 1.196 63.629 62.300 0.222 0.000 1.090 202 V CB -0.868 31.142 31.823 0.312 0.000 0.710 202 V HN 1.218 nan 8.190 nan 0.000 0.467 203 G N 0.514 109.380 108.800 0.110 0.000 3.434 203 G HA2 -0.114 3.849 3.960 0.004 0.000 0.686 203 G HA3 -0.114 3.849 3.960 0.004 0.000 0.686 203 G C -0.082 174.891 174.900 0.121 0.000 1.099 203 G CA -0.058 45.097 45.100 0.092 0.000 0.931 203 G HN 0.270 nan 8.290 nan 0.000 0.520 204 E N 1.060 121.302 120.200 0.070 0.000 2.085 204 E HA -0.082 4.270 4.350 0.004 0.000 0.194 204 E C 2.033 178.721 176.600 0.147 0.000 0.994 204 E CA 1.889 58.336 56.400 0.078 0.000 0.801 204 E CB 0.067 29.776 29.700 0.016 0.000 0.743 204 E HN 0.625 nan 8.360 nan 0.000 0.453 205 D N -0.166 120.302 120.400 0.112 0.000 2.117 205 D HA -0.127 4.516 4.640 0.004 0.000 0.198 205 D C 1.920 178.309 176.300 0.147 0.000 0.982 205 D CA 0.574 54.640 54.000 0.111 0.000 0.828 205 D CB -0.300 40.544 40.800 0.074 0.000 0.967 205 D HN 0.088 nan 8.370 nan 0.000 0.464 206 L N 0.083 121.402 121.223 0.159 0.000 2.017 206 L HA -0.087 4.256 4.340 0.004 0.000 0.208 206 L C 2.109 179.126 176.870 0.245 0.000 1.073 206 L CA 1.411 56.359 54.840 0.180 0.000 0.745 206 L CB -0.936 41.211 42.059 0.147 0.000 0.894 206 L HN -0.042 nan 8.230 nan 0.000 0.432 207 F N 0.180 120.218 119.950 0.148 0.000 2.095 207 F HA -0.298 4.232 4.527 0.004 0.000 0.298 207 F C 2.698 178.651 175.800 0.256 0.000 1.104 207 F CA 2.248 60.373 58.000 0.209 0.000 1.232 207 F CB -0.244 38.828 39.000 0.120 0.000 0.987 207 F HN 0.328 nan 8.300 nan 0.000 0.475 208 Q N 0.225 120.236 119.800 0.351 0.000 2.046 208 Q HA -0.272 4.071 4.340 0.004 0.000 0.200 208 Q C 2.345 178.413 176.000 0.115 0.000 0.975 208 Q CA 1.916 57.856 55.803 0.227 0.000 0.836 208 Q CB -0.418 28.429 28.738 0.181 0.000 0.896 208 Q HN 0.660 nan 8.270 nan 0.000 0.428 209 E N -0.332 119.934 120.200 0.110 0.000 2.085 209 E HA -0.231 4.121 4.350 0.004 0.000 0.194 209 E C 1.751 178.343 176.600 -0.013 0.000 0.994 209 E CA 1.154 57.597 56.400 0.072 0.000 0.801 209 E CB -0.208 29.571 29.700 0.132 0.000 0.743 209 E HN 0.465 nan 8.360 nan 0.000 0.453 210 A N -0.006 122.801 122.820 -0.022 0.000 2.019 210 A HA -0.154 4.169 4.320 0.004 0.000 0.219 210 A C 1.271 178.564 177.584 -0.485 0.000 1.164 210 A CA 1.601 53.488 52.037 -0.250 0.000 0.644 210 A CB -0.584 18.299 19.000 -0.195 0.000 0.805 210 A HN 0.389 nan 8.150 nan 0.000 0.449 211 H N -1.012 117.936 119.070 -0.204 0.000 2.549 211 H HA 0.224 4.782 4.556 0.004 0.000 0.279 211 H C 1.542 176.805 175.328 -0.109 0.000 1.018 211 H CA 0.139 56.075 56.048 -0.187 0.000 1.175 211 H CB 0.319 29.915 29.762 -0.276 0.000 1.485 211 H HN 0.600 nan 8.280 nan 0.000 0.543 212 E N 0.240 120.419 120.200 -0.035 0.000 2.077 212 E HA -0.140 4.213 4.350 0.004 0.000 0.193 212 E C 1.714 178.284 176.600 -0.050 0.000 0.989 212 E CA 1.332 57.716 56.400 -0.027 0.000 0.800 212 E CB 0.188 29.872 29.700 -0.028 0.000 0.746 212 E HN 0.255 nan 8.360 nan 0.000 0.452 213 V N 1.090 120.964 119.914 -0.066 0.000 2.323 213 V HA -0.212 3.911 4.120 0.004 0.000 0.244 213 V C 2.266 178.297 176.094 -0.105 0.000 1.041 213 V CA 1.248 63.522 62.300 -0.043 0.000 1.025 213 V CB -0.256 31.562 31.823 -0.008 0.000 0.656 213 V HN 0.219 nan 8.190 nan 0.000 0.451 214 I N -0.257 120.258 120.570 -0.092 0.000 2.361 214 I HA -0.184 3.988 4.170 0.004 0.000 0.251 214 I C 1.976 177.987 176.117 -0.176 0.000 1.133 214 I CA 1.625 62.843 61.300 -0.137 0.000 1.413 214 I CB -0.213 37.764 38.000 -0.038 0.000 1.073 214 I HN 0.181 nan 8.210 nan 0.000 0.424 215 L N 0.571 121.731 121.223 -0.105 0.000 2.465 215 L HA -0.120 4.223 4.340 0.004 0.000 0.224 215 L C 1.900 178.665 176.870 -0.176 0.000 1.145 215 L CA 1.048 55.825 54.840 -0.105 0.000 0.834 215 L CB -0.653 41.385 42.059 -0.036 0.000 0.944 215 L HN 0.385 nan 8.230 nan 0.000 0.451 216 K N -0.839 119.408 120.400 -0.256 0.000 2.387 216 K HA 0.286 4.608 4.320 0.004 0.000 0.203 216 K C 1.664 177.835 176.600 -0.714 0.000 1.030 216 K CA 0.525 56.608 56.287 -0.339 0.000 1.099 216 K CB 0.382 32.755 32.500 -0.212 0.000 0.863 216 K HN -0.012 nan 8.250 nan 0.000 0.529 217 A N 3.608 125.916 122.820 -0.853 0.000 1.917 217 A HA -0.255 4.068 4.320 0.004 0.000 0.219 217 A C 2.092 179.154 177.584 -0.870 0.000 1.182 217 A CA 1.991 53.240 52.037 -1.314 0.000 0.633 217 A CB -0.577 17.976 19.000 -0.745 0.000 0.819 217 A HN 0.594 nan 8.150 nan 0.000 0.448 218 K N -1.229 118.879 120.400 -0.488 0.000 2.442 218 K HA -0.135 4.187 4.320 0.004 0.000 0.199 218 K C -0.137 176.346 176.600 -0.195 0.000 1.044 218 K CA 1.622 57.744 56.287 -0.275 0.000 0.941 218 K CB -0.138 32.249 32.500 -0.187 0.000 0.759 218 K HN 0.313 nan 8.250 nan 0.000 0.472 219 D N 0.117 120.360 120.400 -0.262 0.000 2.469 219 D HA 0.150 4.793 4.640 0.004 0.000 0.215 219 D C -0.326 175.983 176.300 0.016 0.000 1.154 219 D CA -0.304 53.632 54.000 -0.106 0.000 0.832 219 D CB 0.034 40.777 40.800 -0.096 0.000 1.008 219 D HN 0.119 nan 8.370 nan 0.000 0.506 220 F N 2.121 122.049 119.950 -0.036 0.000 2.607 220 F HA 0.081 4.611 4.527 0.004 0.000 0.374 220 F C -1.428 174.440 175.800 0.113 0.000 1.104 220 F CA -1.608 56.390 58.000 -0.004 0.000 1.296 220 F CB 0.177 39.099 39.000 -0.129 0.000 1.085 220 F HN -0.275 nan 8.300 nan 0.000 0.584 221 P HA 0.068 nan 4.420 nan 0.000 0.268 221 P C -2.473 175.009 177.300 0.302 0.000 1.204 221 P CA -0.867 62.371 63.100 0.231 0.000 0.768 221 P CB -0.010 31.780 31.700 0.150 0.000 0.842 222 P HA 0.008 nan 4.420 nan 0.000 0.264 222 P C -0.300 176.951 177.300 -0.082 0.000 1.183 222 P CA 0.390 63.518 63.100 0.046 0.000 0.763 222 P CB 0.244 31.956 31.700 0.020 0.000 0.807 223 A N 3.064 125.625 122.820 -0.432 0.000 2.498 223 A HA 0.035 4.357 4.320 0.004 0.000 0.239 223 A C 0.650 178.141 177.584 -0.155 0.000 1.068 223 A CA -0.097 51.727 52.037 -0.354 0.000 0.766 223 A CB -0.162 18.433 19.000 -0.676 0.000 1.003 223 A HN 0.583 nan 8.150 nan 0.000 0.497 224 D N 2.200 122.558 120.400 -0.070 0.000 2.378 224 D HA 0.053 4.696 4.640 0.004 0.000 0.238 224 D C -1.302 174.972 176.300 -0.043 0.000 1.180 224 D CA -1.131 52.845 54.000 -0.039 0.000 0.895 224 D CB 0.800 41.590 40.800 -0.017 0.000 1.192 224 D HN 0.187 nan 8.370 nan 0.000 0.438 225 P HA -0.148 nan 4.420 nan 0.000 0.218 225 P C 1.213 178.507 177.300 -0.009 0.000 1.154 225 P CA 1.687 64.778 63.100 -0.015 0.000 0.872 225 P CB 0.098 31.793 31.700 -0.008 0.000 0.790 226 T N -0.926 113.623 114.554 -0.008 0.000 2.777 226 T HA -0.046 4.307 4.350 0.004 0.000 0.266 226 T C 1.775 176.474 174.700 -0.002 0.000 1.040 226 T CA 0.862 62.959 62.100 -0.005 0.000 1.141 226 T CB -0.668 68.195 68.868 -0.007 0.000 0.868 226 T HN 0.062 nan 8.240 nan 0.000 0.444 227 I N 0.760 121.327 120.570 -0.004 0.000 2.202 227 I HA -0.155 4.017 4.170 0.004 0.000 0.242 227 I C 2.622 178.755 176.117 0.026 0.000 1.091 227 I CA 1.271 62.578 61.300 0.011 0.000 1.368 227 I CB -0.393 37.620 38.000 0.022 0.000 1.058 227 I HN 0.222 nan 8.210 nan 0.000 0.410 228 K N 0.642 121.036 120.400 -0.009 0.000 2.044 228 K HA -0.284 4.039 4.320 0.004 0.000 0.210 228 K C 2.320 178.955 176.600 0.058 0.000 1.049 228 K CA 1.654 57.948 56.287 0.011 0.000 0.927 228 K CB -0.164 32.323 32.500 -0.020 0.000 0.713 228 K HN 0.183 nan 8.250 nan 0.000 0.443 229 Q N 1.190 121.012 119.800 0.037 0.000 2.096 229 Q HA -0.219 4.124 4.340 0.004 0.000 0.204 229 Q C 1.876 177.904 176.000 0.047 0.000 0.982 229 Q CA 1.746 57.573 55.803 0.040 0.000 0.850 229 Q CB -0.027 28.723 28.738 0.021 0.000 0.901 229 Q HN 0.271 nan 8.270 nan 0.000 0.422 230 K N -0.189 120.232 120.400 0.035 0.000 2.097 230 K HA -0.039 4.284 4.320 0.004 0.000 0.205 230 K C 2.274 178.912 176.600 0.064 0.000 1.050 230 K CA 0.840 57.137 56.287 0.017 0.000 0.938 230 K CB 0.040 32.525 32.500 -0.025 0.000 0.718 230 K HN 0.238 nan 8.250 nan 0.000 0.442 231 L N 0.172 121.475 121.223 0.133 0.000 2.209 231 L HA -0.076 4.267 4.340 0.004 0.000 0.207 231 L C 2.449 179.512 176.870 0.322 0.000 1.094 231 L CA 0.097 55.113 54.840 0.292 0.000 0.790 231 L CB -0.268 42.029 42.059 0.396 0.000 0.932 231 L HN 0.194 nan 8.230 nan 0.000 0.447 232 M N 0.383 120.107 119.600 0.206 0.000 2.088 232 M HA -0.173 4.309 4.480 0.004 0.000 0.256 232 M C -0.140 176.235 176.300 0.124 0.000 1.071 232 M CA 2.383 57.786 55.300 0.171 0.000 1.097 232 M CB -2.094 30.596 32.600 0.149 0.000 1.315 232 M HN 0.083 nan 8.290 nan 0.000 0.406 233 P HA -0.153 nan 4.420 nan 0.000 0.219 233 P C 1.364 178.727 177.300 0.105 0.000 1.150 233 P CA 1.068 64.221 63.100 0.090 0.000 0.814 233 P CB -0.431 31.319 31.700 0.083 0.000 0.787 234 W N 0.757 122.043 121.300 -0.023 0.000 2.355 234 W HA -0.172 4.490 4.660 0.004 0.000 0.309 234 W C 1.758 178.204 176.519 -0.122 0.000 1.206 234 W CA 1.299 58.631 57.345 -0.022 0.000 1.284 234 W CB -1.076 28.428 29.460 0.074 0.000 1.145 234 W HN -0.315 nan 8.180 nan 0.000 0.502 235 V N 1.585 121.237 119.914 -0.437 0.000 2.295 235 V HA -0.333 3.789 4.120 0.004 0.000 0.246 235 V C 2.434 178.166 176.094 -0.603 0.000 1.049 235 V CA 2.148 63.862 62.300 -0.976 0.000 1.024 235 V CB -1.237 29.986 31.823 -1.000 0.000 0.648 235 V HN 0.270 nan 8.190 nan 0.000 0.447 236 L N 0.176 121.258 121.223 -0.236 0.000 2.083 236 L HA -0.136 4.206 4.340 0.004 0.000 0.209 236 L C 2.677 179.467 176.870 -0.134 0.000 1.083 236 L CA 1.488 56.272 54.840 -0.093 0.000 0.752 236 L CB -0.748 41.317 42.059 0.010 0.000 0.899 236 L HN 0.377 nan 8.230 nan 0.000 0.433 237 A N -0.719 122.008 122.820 -0.154 0.000 2.014 237 A HA -0.196 4.127 4.320 0.004 0.000 0.218 237 A C 2.299 179.766 177.584 -0.195 0.000 1.163 237 A CA 1.276 53.235 52.037 -0.129 0.000 0.652 237 A CB -0.373 18.583 19.000 -0.073 0.000 0.808 237 A HN 0.370 nan 8.150 nan 0.000 0.449 238 M N -0.336 119.053 119.600 -0.352 0.000 2.254 238 M HA -0.014 4.468 4.480 0.004 0.000 0.265 238 M C 1.879 177.992 176.300 -0.312 0.000 1.066 238 M CA 1.801 56.851 55.300 -0.416 0.000 1.123 238 M CB -0.143 31.991 32.600 -0.777 0.000 1.388 238 M HN 0.657 nan 8.290 nan 0.000 0.425 239 I N -3.556 116.837 120.570 -0.295 0.000 3.616 239 I HA 0.260 4.432 4.170 0.004 0.000 0.296 239 I C 0.723 176.779 176.117 -0.101 0.000 1.226 239 I CA -0.419 60.760 61.300 -0.201 0.000 1.394 239 I CB -0.010 37.853 38.000 -0.228 0.000 1.171 239 I HN 0.087 nan 8.210 nan 0.000 0.442 240 R N 0.000 120.452 120.500 -0.081 0.000 2.786 240 R HA 0.000 4.343 4.340 0.004 0.000 0.208 240 R CA 0.000 56.080 56.100 -0.034 0.000 0.921 240 R CB 0.000 30.274 30.300 -0.043 0.000 0.687 240 R HN 0.000 nan 8.270 nan 0.000 0.535