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 3oet_1_A DATA FIRST_RESID -1 DATA SEQUENCE NAXKILVDEN XPYARELFSR LGEVKAVPGX XXPVEELNHA DALXVRSVTK DATA SEQUENCE VNESLLSGTP INFVGTATAG TDHVDEAWLK QAGIGFSAAP GCNAIAVVEY DATA SEQUENCE VFSALLXLAE RDGFSLRDRT IGIVGVGNVG SRLQTRLEAL GIRTLLCDPP DATA SEQUENCE RAARGDEGDF RTLDELVQEA DVLTFHTPLY KDGPYKTLHL ADETLIRRLK DATA SEQUENCE PGAILINACR GPVVDNAALL ARLNAGQPLS VVLDVWEGEP DLNVALLEAV DATA SEQUENCE DIGTSHIAGY TLEGKARGTT QVFEAYSAFI GREQRVALET LLPAPEFGRI DATA SEQUENCE TLHGPLDQPT LKRLAHLVYD VRRDDAPLRK VAGIPGEFDK LRKNYLERRE DATA SEQUENCE WSSLYVXCDD ETAAALLCKL GFNAVHHP 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 -1 N HA 0.000 nan 4.740 nan 0.000 0.220 -1 N C 0.000 175.531 175.510 0.035 0.000 1.280 -1 N CA 0.000 53.069 53.050 0.032 0.000 0.885 -1 N CB 0.000 38.500 38.487 0.022 0.000 1.341 3 I N 6.026 126.633 120.570 0.062 0.000 2.312 3 I HA 0.326 4.494 4.170 -0.002 0.000 0.290 3 I C -0.204 175.873 176.117 -0.067 0.000 1.008 3 I CA -0.921 60.364 61.300 -0.025 0.000 1.226 3 I CB 1.023 39.009 38.000 -0.023 0.000 1.371 3 I HN 0.363 nan 8.210 nan 0.000 0.468 4 L N 7.442 128.613 121.223 -0.087 0.000 2.290 4 L HA 0.547 4.885 4.340 -0.002 0.000 0.284 4 L C 0.035 176.812 176.870 -0.156 0.000 1.078 4 L CA -0.767 54.023 54.840 -0.083 0.000 0.815 4 L CB 0.886 42.918 42.059 -0.046 0.000 1.162 4 L HN 0.429 nan 8.230 nan 0.000 0.435 5 V N -1.095 118.737 119.914 -0.137 0.000 2.864 5 V HA 0.450 4.569 4.120 -0.002 0.000 0.314 5 V C -0.402 175.643 176.094 -0.081 0.000 1.073 5 V CA -0.954 61.249 62.300 -0.161 0.000 0.956 5 V CB 2.085 33.794 31.823 -0.189 0.000 1.023 5 V HN 0.741 nan 8.190 nan 0.000 0.435 6 D N 2.694 123.054 120.400 -0.066 0.000 2.417 6 D HA 0.016 4.654 4.640 -0.002 0.000 0.250 6 D C 1.205 177.484 176.300 -0.035 0.000 1.166 6 D CA 0.584 54.560 54.000 -0.041 0.000 0.881 6 D CB 1.683 42.463 40.800 -0.032 0.000 1.164 6 D HN 0.954 nan 8.370 nan 0.000 0.467 7 E N 3.003 123.184 120.200 -0.031 0.000 2.333 7 E HA -0.163 4.186 4.350 -0.002 0.000 0.198 7 E C 0.030 176.608 176.600 -0.038 0.000 1.007 7 E CA 0.481 56.864 56.400 -0.029 0.000 0.845 7 E CB 0.099 29.783 29.700 -0.025 0.000 0.766 7 E HN 0.294 nan 8.360 nan 0.000 0.507 11 Y N -0.412 119.899 120.300 0.019 0.000 4.929 11 Y HA -0.276 4.273 4.550 -0.002 0.000 0.253 11 Y C 1.793 177.728 175.900 0.059 0.000 0.946 11 Y CA 1.116 59.222 58.100 0.010 0.000 1.905 11 Y CB -2.437 36.008 38.460 -0.025 0.000 1.400 11 Y HN 0.580 nan 8.280 nan 0.000 0.531 12 A N 0.159 123.099 122.820 0.201 0.000 1.902 12 A HA -0.212 4.106 4.320 -0.002 0.000 0.217 12 A C 2.266 180.041 177.584 0.319 0.000 1.181 12 A CA 2.085 54.313 52.037 0.318 0.000 0.623 12 A CB -0.542 18.566 19.000 0.180 0.000 0.818 12 A HN 0.577 nan 8.150 nan 0.000 0.443 13 R N -0.192 120.410 120.500 0.170 0.000 2.062 13 R HA -0.130 4.208 4.340 -0.002 0.000 0.231 13 R C 2.055 178.437 176.300 0.136 0.000 1.136 13 R CA 1.630 57.816 56.100 0.143 0.000 0.948 13 R CB -0.406 29.941 30.300 0.078 0.000 0.845 13 R HN 0.625 nan 8.270 nan 0.000 0.430 14 E N 0.364 120.627 120.200 0.106 0.000 2.086 14 E HA -0.263 4.085 4.350 -0.002 0.000 0.205 14 E C 2.028 178.621 176.600 -0.012 0.000 1.027 14 E CA 2.056 58.490 56.400 0.057 0.000 0.830 14 E CB -0.145 29.604 29.700 0.082 0.000 0.751 14 E HN 0.415 nan 8.360 nan 0.000 0.456 15 L N -0.804 120.382 121.223 -0.061 0.000 2.102 15 L HA -0.062 4.277 4.340 -0.002 0.000 0.202 15 L C 2.315 179.102 176.870 -0.137 0.000 1.076 15 L CA 0.678 55.281 54.840 -0.394 0.000 0.761 15 L CB -0.359 41.248 42.059 -0.754 0.000 0.921 15 L HN 0.084 nan 8.230 nan 0.000 0.444 16 F N 0.365 120.417 119.950 0.170 0.000 2.451 16 F HA -0.110 4.415 4.527 -0.003 0.000 0.299 16 F C 2.550 178.492 175.800 0.237 0.000 1.101 16 F CA 0.807 58.994 58.000 0.312 0.000 1.436 16 F CB -0.361 38.778 39.000 0.232 0.000 1.074 16 F HN -0.005 nan 8.300 nan 0.000 0.553 17 S N -0.441 115.423 115.700 0.273 0.000 2.515 17 S HA -0.088 4.380 4.470 -0.002 0.000 0.231 17 S C 1.799 176.491 174.600 0.153 0.000 0.987 17 S CA 0.392 58.703 58.200 0.184 0.000 0.936 17 S CB -0.266 63.007 63.200 0.122 0.000 0.766 17 S HN 0.368 nan 8.310 nan 0.000 0.528 18 R N 0.629 121.232 120.500 0.173 0.000 2.328 18 R HA 0.130 4.469 4.340 -0.002 0.000 0.207 18 R C 0.942 177.335 176.300 0.154 0.000 1.056 18 R CA 0.759 56.955 56.100 0.160 0.000 1.016 18 R CB -0.161 30.265 30.300 0.210 0.000 0.872 18 R HN 0.388 nan 8.270 nan 0.000 0.471 19 L N -1.973 119.364 121.223 0.190 0.000 3.086 19 L HA 0.398 4.737 4.340 -0.002 0.000 0.274 19 L C 0.684 177.648 176.870 0.156 0.000 1.184 19 L CA -0.267 54.652 54.840 0.132 0.000 1.002 19 L CB 1.313 43.435 42.059 0.105 0.000 1.383 19 L HN 0.205 nan 8.230 nan 0.000 0.582 20 G N 0.548 109.452 108.800 0.173 0.000 2.345 20 G HA2 0.119 4.078 3.960 -0.002 0.000 0.285 20 G HA3 0.119 4.078 3.960 -0.002 0.000 0.285 20 G C -1.825 173.162 174.900 0.145 0.000 1.297 20 G CA -0.721 44.471 45.100 0.153 0.000 0.875 20 G HN -0.064 nan 8.290 nan 0.000 0.506 21 E N -0.327 119.945 120.200 0.119 0.000 2.289 21 E HA 0.514 4.863 4.350 -0.002 0.000 0.278 21 E C -0.311 176.348 176.600 0.098 0.000 1.032 21 E CA -0.422 56.036 56.400 0.097 0.000 0.854 21 E CB 1.401 31.145 29.700 0.074 0.000 1.046 21 E HN 0.594 nan 8.360 nan 0.000 0.409 22 V N 5.366 125.335 119.914 0.091 0.000 2.384 22 V HA 0.360 4.478 4.120 -0.002 0.000 0.287 22 V C -0.024 176.096 176.094 0.042 0.000 1.020 22 V CA -0.813 61.531 62.300 0.073 0.000 0.850 22 V CB 1.054 32.938 31.823 0.102 0.000 0.987 22 V HN 0.681 nan 8.190 nan 0.000 0.436 23 K N 3.482 123.895 120.400 0.021 0.000 2.182 23 K HA 0.793 5.112 4.320 -0.002 0.000 0.262 23 K C -0.293 176.304 176.600 -0.005 0.000 0.957 23 K CA -0.556 55.737 56.287 0.011 0.000 0.842 23 K CB 1.709 34.216 32.500 0.012 0.000 1.099 23 K HN 0.801 nan 8.250 nan 0.000 0.438 24 A N 4.057 126.875 122.820 -0.004 0.000 2.260 24 A HA 0.317 4.636 4.320 -0.002 0.000 0.312 24 A C -0.770 176.805 177.584 -0.016 0.000 1.321 24 A CA -0.647 51.382 52.037 -0.014 0.000 0.928 24 A CB 0.760 19.754 19.000 -0.009 0.000 1.158 24 A HN 0.530 nan 8.150 nan 0.000 0.542 25 V N 5.010 124.911 119.914 -0.022 0.000 2.617 25 V HA 0.581 4.699 4.120 -0.002 0.000 0.298 25 V C -2.260 173.822 176.094 -0.020 0.000 1.048 25 V CA -2.172 60.117 62.300 -0.018 0.000 0.964 25 V CB 1.880 33.693 31.823 -0.017 0.000 1.004 25 V HN 0.787 nan 8.190 nan 0.000 0.466 26 P HA 0.244 nan 4.420 nan 0.000 0.276 26 P C 0.228 177.517 177.300 -0.018 0.000 1.235 26 P CA 0.160 63.249 63.100 -0.018 0.000 0.772 26 P CB 0.866 32.556 31.700 -0.016 0.000 0.871 32 V N 0.874 120.793 119.914 0.009 0.000 2.250 32 V HA -0.309 3.809 4.120 -0.002 0.000 0.253 32 V C 2.222 178.338 176.094 0.037 0.000 1.065 32 V CA 2.363 64.674 62.300 0.019 0.000 1.039 32 V CB -0.359 31.474 31.823 0.016 0.000 0.647 32 V HN 0.658 nan 8.190 nan 0.000 0.446 33 E N 0.205 120.424 120.200 0.032 0.000 2.118 33 E HA -0.176 4.173 4.350 -0.002 0.000 0.195 33 E C 2.311 178.952 176.600 0.068 0.000 0.992 33 E CA 1.587 58.012 56.400 0.042 0.000 0.804 33 E CB -0.246 29.457 29.700 0.005 0.000 0.741 33 E HN 0.660 nan 8.360 nan 0.000 0.458 34 E N -0.467 119.762 120.200 0.049 0.000 2.158 34 E HA 0.003 4.351 4.350 -0.002 0.000 0.191 34 E C 2.253 178.903 176.600 0.084 0.000 0.982 34 E CA 0.615 57.053 56.400 0.063 0.000 0.823 34 E CB -0.351 29.369 29.700 0.033 0.000 0.766 34 E HN 0.375 nan 8.360 nan 0.000 0.468 35 L N 1.057 122.318 121.223 0.063 0.000 2.043 35 L HA -0.191 4.147 4.340 -0.002 0.000 0.212 35 L C 2.166 179.074 176.870 0.063 0.000 1.075 35 L CA 1.312 56.183 54.840 0.052 0.000 0.752 35 L CB -0.469 41.610 42.059 0.034 0.000 0.891 35 L HN 0.258 nan 8.230 nan 0.000 0.432 36 N N -1.266 117.489 118.700 0.091 0.000 2.494 36 N HA -0.074 4.664 4.740 -0.002 0.000 0.182 36 N C 0.538 176.006 175.510 -0.071 0.000 1.076 36 N CA 0.795 53.871 53.050 0.045 0.000 0.908 36 N CB 0.068 38.605 38.487 0.082 0.000 0.967 36 N HN 0.439 nan 8.380 nan 0.000 0.449 37 H N -0.861 118.226 119.070 0.029 0.000 2.551 37 H HA 0.522 5.077 4.556 -0.002 0.000 0.238 37 H C -0.496 174.853 175.328 0.035 0.000 1.345 37 H CA -0.241 55.827 56.048 0.032 0.000 1.105 37 H CB 0.666 30.444 29.762 0.027 0.000 1.805 37 H HN 0.011 nan 8.280 nan 0.000 0.553 38 A N 0.203 123.079 122.820 0.094 0.000 2.515 38 A HA 0.394 4.712 4.320 -0.002 0.000 0.296 38 A C -0.148 177.480 177.584 0.073 0.000 1.094 38 A CA -0.643 51.441 52.037 0.078 0.000 0.718 38 A CB 1.785 20.820 19.000 0.058 0.000 1.307 38 A HN 0.238 nan 8.150 nan 0.000 0.408 39 D N -0.289 120.163 120.400 0.087 0.000 2.479 39 D HA 0.424 5.063 4.640 -0.002 0.000 0.216 39 D C 0.275 176.654 176.300 0.133 0.000 1.110 39 D CA 1.230 55.305 54.000 0.125 0.000 0.841 39 D CB 1.211 42.108 40.800 0.162 0.000 1.040 39 D HN 0.805 nan 8.370 nan 0.000 0.505 40 A N 0.749 123.596 122.820 0.046 0.000 2.589 40 A HA 0.674 4.993 4.320 -0.002 0.000 0.296 40 A C -1.598 175.927 177.584 -0.099 0.000 1.062 40 A CA -0.560 51.440 52.037 -0.061 0.000 0.686 40 A CB 1.732 20.530 19.000 -0.338 0.000 1.282 40 A HN 0.094 nan 8.150 nan 0.000 0.404 44 R N 0.660 121.173 120.500 0.023 0.000 2.867 44 R HA 0.487 4.826 4.340 -0.002 0.000 0.227 44 R C 1.414 177.602 176.300 -0.186 0.000 1.372 44 R CA 0.066 56.145 56.100 -0.035 0.000 1.083 44 R CB 0.534 30.798 30.300 -0.059 0.000 1.596 44 R HN 0.882 nan 8.270 nan 0.000 0.522 45 S N -0.062 115.424 115.700 -0.356 0.000 2.440 45 S HA -0.152 4.317 4.470 -0.002 0.000 0.238 45 S C 1.978 176.318 174.600 -0.434 0.000 1.010 45 S CA 1.491 59.262 58.200 -0.715 0.000 0.972 45 S CB -0.821 62.159 63.200 -0.367 0.000 0.774 45 S HN 0.524 nan 8.310 nan 0.000 0.501 46 V N -0.835 118.961 119.914 -0.196 0.000 2.809 46 V HA 0.110 4.229 4.120 -0.002 0.000 0.256 46 V C 0.829 176.902 176.094 -0.034 0.000 1.080 46 V CA 1.023 63.268 62.300 -0.091 0.000 1.102 46 V CB -1.613 30.175 31.823 -0.059 0.000 0.705 46 V HN 0.473 nan 8.190 nan 0.000 0.475 47 T N 2.702 117.259 114.554 0.006 0.000 2.753 47 T HA 0.339 4.688 4.350 -0.002 0.000 0.297 47 T C -0.108 174.671 174.700 0.132 0.000 0.981 47 T CA -0.418 61.717 62.100 0.058 0.000 0.956 47 T CB 0.722 69.624 68.868 0.057 0.000 0.936 47 T HN 0.452 nan 8.240 nan 0.000 0.463 48 K N 2.552 122.995 120.400 0.071 0.000 2.416 48 K HA 0.310 4.629 4.320 -0.002 0.000 0.283 48 K C -0.518 176.084 176.600 0.003 0.000 1.037 48 K CA -0.312 56.006 56.287 0.051 0.000 0.995 48 K CB 0.631 33.136 32.500 0.008 0.000 0.938 48 K HN 0.301 nan 8.250 nan 0.000 0.475 49 V N 4.864 124.763 119.914 -0.025 0.000 2.378 49 V HA 0.208 4.326 4.120 -0.002 0.000 0.288 49 V C -0.417 175.606 176.094 -0.118 0.000 1.016 49 V CA -0.764 61.501 62.300 -0.058 0.000 0.840 49 V CB 0.803 32.606 31.823 -0.033 0.000 0.994 49 V HN 0.970 nan 8.190 nan 0.000 0.431 50 N N 2.315 120.900 118.700 -0.191 0.000 3.344 50 N HA 0.271 5.010 4.740 -0.002 0.000 0.296 50 N C 0.620 175.687 175.510 -0.738 0.000 1.571 50 N CA -0.774 52.065 53.050 -0.352 0.000 0.844 50 N CB 1.075 39.390 38.487 -0.286 0.000 1.718 50 N HN 0.292 nan 8.380 nan 0.000 0.589 51 E N 0.312 119.811 120.200 -1.168 0.000 2.012 51 E HA -0.196 4.153 4.350 -0.002 0.000 0.197 51 E C 1.180 177.374 176.600 -0.677 0.000 1.007 51 E CA 2.282 57.777 56.400 -1.509 0.000 0.816 51 E CB -0.303 28.693 29.700 -1.174 0.000 0.762 51 E HN 0.504 nan 8.360 nan 0.000 0.451 52 S N 0.232 115.678 115.700 -0.424 0.000 2.407 52 S HA -0.276 4.192 4.470 -0.002 0.000 0.244 52 S C 1.857 176.344 174.600 -0.187 0.000 1.077 52 S CA 1.812 59.870 58.200 -0.238 0.000 1.159 52 S CB -0.542 62.552 63.200 -0.177 0.000 1.045 52 S HN 0.353 nan 8.310 nan 0.000 0.438 53 L N 0.268 121.378 121.223 -0.190 0.000 2.156 53 L HA 0.129 4.468 4.340 -0.002 0.000 0.208 53 L C 1.716 178.539 176.870 -0.079 0.000 1.095 53 L CA 1.478 56.252 54.840 -0.111 0.000 0.770 53 L CB -0.082 41.923 42.059 -0.089 0.000 0.914 53 L HN 0.308 nan 8.230 nan 0.000 0.439 54 L N -2.282 118.873 121.223 -0.114 0.000 2.547 54 L HA 0.195 4.533 4.340 -0.002 0.000 0.218 54 L C 1.230 178.161 176.870 0.102 0.000 1.048 54 L CA 0.110 54.962 54.840 0.019 0.000 0.859 54 L CB -0.289 41.847 42.059 0.129 0.000 1.128 54 L HN 0.064 nan 8.230 nan 0.000 0.483 55 S N 0.499 116.234 115.700 0.058 0.000 2.702 55 S HA 0.133 4.602 4.470 -0.002 0.000 0.314 55 S C 1.270 175.939 174.600 0.116 0.000 1.244 55 S CA 1.028 59.350 58.200 0.203 0.000 1.058 55 S CB 0.258 63.522 63.200 0.106 0.000 0.783 55 S HN 0.668 nan 8.310 nan 0.000 0.503 56 G N 3.248 112.125 108.800 0.129 0.000 2.284 56 G HA2 -0.286 3.673 3.960 -0.002 0.000 0.230 56 G HA3 -0.286 3.673 3.960 -0.002 0.000 0.230 56 G C 0.431 175.362 174.900 0.051 0.000 1.021 56 G CA 0.636 45.778 45.100 0.071 0.000 0.619 56 G HN 1.591 nan 8.290 nan 0.000 0.510 57 T N -0.314 114.278 114.554 0.063 0.000 2.726 57 T HA 0.565 4.913 4.350 -0.002 0.000 0.294 57 T C -0.929 173.796 174.700 0.041 0.000 1.013 57 T CA -0.191 61.933 62.100 0.039 0.000 0.996 57 T CB 1.667 70.566 68.868 0.050 0.000 1.016 57 T HN 0.122 nan 8.240 nan 0.000 0.529 58 P HA 0.346 nan 4.420 nan 0.000 0.267 58 P C 0.360 177.706 177.300 0.076 0.000 1.289 58 P CA -0.399 62.724 63.100 0.040 0.000 0.866 58 P CB -0.152 31.555 31.700 0.012 0.000 1.309 59 I N 1.527 122.144 120.570 0.078 0.000 3.015 59 I HA -0.183 3.985 4.170 -0.002 0.000 0.309 59 I C 1.380 177.570 176.117 0.121 0.000 1.229 59 I CA 0.704 62.061 61.300 0.096 0.000 1.430 59 I CB -0.004 38.045 38.000 0.081 0.000 1.347 59 I HN -0.062 nan 8.210 nan 0.000 0.544 60 N N 5.539 124.342 118.700 0.172 0.000 2.171 60 N HA 0.186 4.924 4.740 -0.002 0.000 0.212 60 N C -0.914 174.735 175.510 0.233 0.000 1.184 60 N CA 0.001 53.189 53.050 0.229 0.000 0.888 60 N CB 0.502 39.186 38.487 0.329 0.000 1.038 60 N HN 0.463 nan 8.380 nan 0.000 0.517 61 F N -0.087 119.840 119.950 -0.038 0.000 2.622 61 F HA 0.472 4.997 4.527 -0.003 0.000 0.318 61 F C -1.749 173.951 175.800 -0.168 0.000 1.135 61 F CA -0.759 57.111 58.000 -0.217 0.000 1.015 61 F CB 1.130 39.935 39.000 -0.325 0.000 1.275 61 F HN -0.340 nan 8.300 nan 0.000 0.457 62 V N 4.731 124.276 119.914 -0.616 0.000 2.483 62 V HA 0.764 4.883 4.120 -0.002 0.000 0.297 62 V C 0.035 175.840 176.094 -0.483 0.000 1.027 62 V CA -0.480 61.650 62.300 -0.284 0.000 0.855 62 V CB 1.540 33.341 31.823 -0.036 0.000 0.995 62 V HN 0.998 nan 8.190 nan 0.000 0.424 63 G N 1.698 110.421 108.800 -0.127 0.000 2.379 63 G HA2 0.568 4.526 3.960 -0.002 0.000 0.327 63 G HA3 0.568 4.526 3.960 -0.002 0.000 0.327 63 G C -0.578 174.312 174.900 -0.017 0.000 1.145 63 G CA -0.417 44.642 45.100 -0.068 0.000 0.905 63 G HN 0.574 nan 8.290 nan 0.000 0.466 64 T N 0.334 114.861 114.554 -0.045 0.000 2.792 64 T HA 0.523 4.872 4.350 -0.002 0.000 0.280 64 T C 0.544 175.304 174.700 0.100 0.000 0.990 64 T CA -0.081 62.088 62.100 0.115 0.000 0.960 64 T CB 1.003 70.037 68.868 0.276 0.000 0.939 64 T HN 0.828 nan 8.240 nan 0.000 0.439 65 A N 4.544 127.435 122.820 0.118 0.000 3.135 65 A HA 0.555 4.874 4.320 -0.002 0.000 0.253 65 A C 0.327 177.968 177.584 0.095 0.000 1.638 65 A CA -0.247 51.854 52.037 0.107 0.000 1.295 65 A CB -0.689 18.377 19.000 0.109 0.000 1.106 65 A HN 0.798 nan 8.150 nan 0.000 0.648 66 T N -1.219 113.402 114.554 0.112 0.000 2.889 66 T HA 0.498 4.846 4.350 -0.002 0.000 0.315 66 T C 1.241 176.010 174.700 0.115 0.000 1.291 66 T CA -0.041 62.126 62.100 0.113 0.000 1.028 66 T CB 1.689 70.646 68.868 0.149 0.000 1.235 66 T HN 0.452 nan 8.240 nan 0.000 0.491 67 A N 1.473 124.352 122.820 0.099 0.000 1.877 67 A HA 0.324 4.643 4.320 -0.002 0.000 0.216 67 A C 1.484 179.143 177.584 0.124 0.000 1.186 67 A CA 1.444 53.537 52.037 0.095 0.000 0.620 67 A CB -1.196 17.851 19.000 0.077 0.000 0.822 67 A HN 1.007 nan 8.150 nan 0.000 0.443 68 G N -1.785 107.102 108.800 0.145 0.000 2.614 68 G HA2 0.358 4.316 3.960 -0.002 0.000 0.239 68 G HA3 0.358 4.316 3.960 -0.002 0.000 0.239 68 G C 0.663 175.701 174.900 0.231 0.000 1.240 68 G CA 0.677 45.881 45.100 0.174 0.000 0.842 68 G HN 0.779 nan 8.290 nan 0.000 0.584 69 T N -2.583 112.072 114.554 0.168 0.000 3.130 69 T HA 0.124 4.472 4.350 -0.002 0.000 0.288 69 T C 0.978 175.649 174.700 -0.049 0.000 0.936 69 T CA 0.295 62.422 62.100 0.046 0.000 0.897 69 T CB 0.339 69.245 68.868 0.064 0.000 1.178 69 T HN 0.286 nan 8.240 nan 0.000 0.543 70 D N 2.824 123.279 120.400 0.093 0.000 2.191 70 D HA -0.193 4.446 4.640 -0.002 0.000 0.195 70 D C 1.865 178.194 176.300 0.049 0.000 1.003 70 D CA 1.792 55.838 54.000 0.077 0.000 0.867 70 D CB -0.227 40.645 40.800 0.119 0.000 0.926 70 D HN 0.790 nan 8.370 nan 0.000 0.450 71 H N -1.170 117.904 119.070 0.008 0.000 2.539 71 H HA 0.229 4.784 4.556 -0.002 0.000 0.267 71 H C -0.091 175.224 175.328 -0.021 0.000 0.982 71 H CA 0.045 56.090 56.048 -0.004 0.000 1.146 71 H CB -0.408 29.360 29.762 0.009 0.000 1.382 71 H HN -0.064 nan 8.280 nan 0.000 0.577 72 V N 1.192 120.860 119.914 -0.410 0.000 2.735 72 V HA 0.125 4.243 4.120 -0.002 0.000 0.310 72 V C -0.412 175.511 176.094 -0.283 0.000 1.061 72 V CA -1.029 61.051 62.300 -0.367 0.000 0.913 72 V CB 2.361 33.886 31.823 -0.496 0.000 1.005 72 V HN 0.099 nan 8.190 nan 0.000 0.428 73 D N 2.048 122.316 120.400 -0.219 0.000 2.524 73 D HA 0.224 4.863 4.640 -0.002 0.000 0.222 73 D C 1.232 177.400 176.300 -0.220 0.000 1.142 73 D CA -0.208 53.696 54.000 -0.159 0.000 0.973 73 D CB 0.650 41.415 40.800 -0.059 0.000 1.025 73 D HN 0.666 nan 8.370 nan 0.000 0.519 74 E N 1.559 121.512 120.200 -0.411 0.000 2.171 74 E HA -0.256 4.093 4.350 -0.002 0.000 0.197 74 E C 1.772 178.218 176.600 -0.256 0.000 0.997 74 E CA 1.190 57.246 56.400 -0.573 0.000 0.810 74 E CB -0.014 29.341 29.700 -0.575 0.000 0.738 74 E HN 0.498 nan 8.360 nan 0.000 0.467 75 A N 1.327 124.068 122.820 -0.131 0.000 1.855 75 A HA -0.178 4.140 4.320 -0.002 0.000 0.215 75 A C 1.938 179.513 177.584 -0.015 0.000 1.191 75 A CA 1.295 53.298 52.037 -0.058 0.000 0.613 75 A CB -1.108 17.879 19.000 -0.021 0.000 0.829 75 A HN 0.539 nan 8.150 nan 0.000 0.442 76 W N 0.853 122.078 121.300 -0.126 0.000 2.338 76 W HA -0.172 4.486 4.660 -0.003 0.000 0.304 76 W C 1.712 178.176 176.519 -0.092 0.000 1.212 76 W CA 1.984 59.272 57.345 -0.095 0.000 1.264 76 W CB -0.270 29.136 29.460 -0.090 0.000 1.142 76 W HN 0.267 nan 8.180 nan 0.000 0.512 77 L N 0.599 121.792 121.223 -0.051 0.000 2.017 77 L HA -0.232 4.106 4.340 -0.002 0.000 0.208 77 L C 2.635 179.319 176.870 -0.309 0.000 1.073 77 L CA 1.809 56.502 54.840 -0.246 0.000 0.745 77 L CB -1.036 40.975 42.059 -0.079 0.000 0.894 77 L HN -0.090 nan 8.230 nan 0.000 0.432 78 K N -0.210 120.068 120.400 -0.203 0.000 2.103 78 K HA -0.165 4.154 4.320 -0.002 0.000 0.204 78 K C 2.198 178.688 176.600 -0.183 0.000 1.052 78 K CA 1.074 57.275 56.287 -0.143 0.000 0.945 78 K CB 0.056 32.507 32.500 -0.081 0.000 0.722 78 K HN 0.356 nan 8.250 nan 0.000 0.443 79 Q N -0.476 119.180 119.800 -0.239 0.000 2.096 79 Q HA -0.147 4.191 4.340 -0.002 0.000 0.204 79 Q C 1.746 177.551 176.000 -0.325 0.000 0.982 79 Q CA 1.676 57.332 55.803 -0.245 0.000 0.850 79 Q CB -0.090 28.503 28.738 -0.242 0.000 0.901 79 Q HN 0.286 nan 8.270 nan 0.000 0.422 80 A N -0.247 122.253 122.820 -0.534 0.000 2.251 80 A HA 0.342 4.660 4.320 -0.002 0.000 0.209 80 A C 1.433 178.835 177.584 -0.303 0.000 1.187 80 A CA 0.663 52.363 52.037 -0.561 0.000 0.823 80 A CB -0.150 18.177 19.000 -1.121 0.000 0.846 80 A HN 0.463 nan 8.150 nan 0.000 0.486 81 G N -0.772 107.907 108.800 -0.202 0.000 2.136 81 G HA2 -0.207 3.752 3.960 -0.002 0.000 0.242 81 G HA3 -0.207 3.752 3.960 -0.002 0.000 0.242 81 G C 0.013 174.900 174.900 -0.021 0.000 0.989 81 G CA 0.253 45.309 45.100 -0.073 0.000 0.682 81 G HN 0.481 nan 8.290 nan 0.000 0.522 82 I N 1.784 122.296 120.570 -0.097 0.000 2.321 82 I HA 0.476 4.645 4.170 -0.002 0.000 0.291 82 I C 1.343 177.399 176.117 -0.100 0.000 0.998 82 I CA -0.438 60.827 61.300 -0.058 0.000 1.227 82 I CB 1.320 39.263 38.000 -0.094 0.000 1.368 82 I HN 0.136 nan 8.210 nan 0.000 0.466 83 G N 5.679 114.380 108.800 -0.166 0.000 2.491 83 G HA2 0.248 4.207 3.960 -0.002 0.000 0.238 83 G HA3 0.248 4.207 3.960 -0.002 0.000 0.238 83 G C -1.107 173.367 174.900 -0.710 0.000 1.277 83 G CA 0.094 44.955 45.100 -0.398 0.000 0.851 83 G HN 0.496 nan 8.290 nan 0.000 0.573 84 F N 1.000 120.534 119.950 -0.694 0.000 2.601 84 F HA 0.699 5.224 4.527 -0.003 0.000 0.309 84 F C -0.419 175.110 175.800 -0.452 0.000 1.089 84 F CA -1.007 56.573 58.000 -0.700 0.000 0.940 84 F CB 2.511 41.297 39.000 -0.356 0.000 1.273 84 F HN 0.624 nan 8.300 nan 0.000 0.450 85 S N 3.505 118.190 115.700 -1.691 0.000 2.543 85 S HA 0.859 5.328 4.470 -0.002 0.000 0.271 85 S C -1.175 172.711 174.600 -1.192 0.000 1.148 85 S CA 0.011 57.552 58.200 -1.099 0.000 0.914 85 S CB 1.031 64.095 63.200 -0.227 0.000 1.096 85 S HN 1.251 nan 8.310 nan 0.000 0.471 86 A N 2.701 125.092 122.820 -0.715 0.000 2.420 86 A HA 0.945 5.263 4.320 -0.002 0.000 0.291 86 A C 0.221 177.755 177.584 -0.082 0.000 1.228 86 A CA -0.218 51.670 52.037 -0.249 0.000 0.933 86 A CB 0.510 19.520 19.000 0.017 0.000 1.428 86 A HN 1.632 nan 8.150 nan 0.000 0.493 87 A N 1.114 123.942 122.820 0.014 0.000 3.215 87 A HA 0.586 4.905 4.320 -0.002 0.000 0.320 87 A C -2.582 175.031 177.584 0.048 0.000 1.084 87 A CA -1.424 50.637 52.037 0.040 0.000 0.969 87 A CB -0.433 18.605 19.000 0.063 0.000 1.064 87 A HN 0.498 nan 8.150 nan 0.000 0.513 88 P HA 0.150 nan 4.420 nan 0.000 0.266 88 P C 1.017 178.341 177.300 0.040 0.000 1.195 88 P CA 1.821 64.951 63.100 0.050 0.000 0.768 88 P CB 0.899 32.628 31.700 0.049 0.000 0.838 89 G N 2.301 111.123 108.800 0.037 0.000 2.184 89 G HA2 -0.406 3.553 3.960 -0.002 0.000 0.264 89 G HA3 -0.406 3.553 3.960 -0.002 0.000 0.264 89 G C 1.087 175.999 174.900 0.020 0.000 0.975 89 G CA 0.336 45.450 45.100 0.023 0.000 0.642 89 G HN 0.737 nan 8.290 nan 0.000 0.536 90 C N 0.239 119.558 119.300 0.032 0.000 2.422 90 C HA 0.048 4.506 4.460 -0.002 0.000 0.279 90 C C 2.204 177.207 174.990 0.022 0.000 1.305 90 C CA 1.602 60.638 59.018 0.031 0.000 1.757 90 C CB -0.961 26.806 27.740 0.046 0.000 1.962 90 C HN 0.757 nan 8.230 nan 0.000 0.499 91 N N 1.624 120.339 118.700 0.024 0.000 2.235 91 N HA 0.340 5.078 4.740 -0.002 0.000 0.209 91 N C 1.220 176.724 175.510 -0.010 0.000 1.122 91 N CA 0.706 53.765 53.050 0.016 0.000 0.845 91 N CB -0.514 37.998 38.487 0.041 0.000 1.004 91 N HN 0.590 nan 8.380 nan 0.000 0.499 92 A N 1.019 123.829 122.820 -0.016 0.000 1.902 92 A HA 0.032 4.351 4.320 -0.002 0.000 0.217 92 A C 2.054 179.599 177.584 -0.064 0.000 1.181 92 A CA 0.858 52.872 52.037 -0.037 0.000 0.623 92 A CB -0.603 18.378 19.000 -0.032 0.000 0.818 92 A HN 0.322 nan 8.150 nan 0.000 0.443 93 I N -0.479 120.046 120.570 -0.074 0.000 2.439 93 I HA -0.202 3.967 4.170 -0.002 0.000 0.251 93 I C 2.912 178.935 176.117 -0.157 0.000 1.139 93 I CA 0.707 61.933 61.300 -0.124 0.000 1.438 93 I CB -0.270 37.653 38.000 -0.128 0.000 1.085 93 I HN 0.367 nan 8.210 nan 0.000 0.427 94 A N 0.693 123.447 122.820 -0.109 0.000 1.883 94 A HA -0.186 4.132 4.320 -0.002 0.000 0.217 94 A C 2.400 179.953 177.584 -0.052 0.000 1.186 94 A CA 2.015 53.990 52.037 -0.102 0.000 0.624 94 A CB -0.990 17.973 19.000 -0.062 0.000 0.822 94 A HN 0.239 nan 8.150 nan 0.000 0.444 95 V N -0.382 119.509 119.914 -0.038 0.000 2.358 95 V HA -0.213 3.905 4.120 -0.002 0.000 0.246 95 V C 2.556 178.705 176.094 0.091 0.000 1.047 95 V CA 1.868 64.174 62.300 0.011 0.000 1.035 95 V CB -0.786 31.022 31.823 -0.026 0.000 0.658 95 V HN 0.375 nan 8.190 nan 0.000 0.452 96 V N 0.075 119.990 119.914 0.000 0.000 2.407 96 V HA -0.261 3.858 4.120 -0.002 0.000 0.248 96 V C 2.321 178.486 176.094 0.118 0.000 1.055 96 V CA 2.063 64.394 62.300 0.051 0.000 1.049 96 V CB -0.670 31.150 31.823 -0.004 0.000 0.662 96 V HN 0.627 nan 8.190 nan 0.000 0.455 97 E N -1.317 118.808 120.200 -0.124 0.000 2.358 97 E HA -0.152 4.197 4.350 -0.002 0.000 0.195 97 E C 1.936 178.674 176.600 0.231 0.000 1.010 97 E CA 0.857 57.090 56.400 -0.280 0.000 0.856 97 E CB -0.110 29.023 29.700 -0.946 0.000 0.795 97 E HN 0.812 nan 8.360 nan 0.000 0.504 98 Y N 0.903 121.296 120.300 0.155 0.000 2.184 98 Y HA -0.215 4.333 4.550 -0.003 0.000 0.290 98 Y C 2.086 178.143 175.900 0.261 0.000 1.129 98 Y CA 1.086 59.373 58.100 0.310 0.000 1.144 98 Y CB -0.132 38.451 38.460 0.205 0.000 0.995 98 Y HN -0.202 nan 8.280 nan 0.000 0.513 99 V N 0.235 120.389 119.914 0.399 0.000 2.287 99 V HA -0.321 3.797 4.120 -0.002 0.000 0.248 99 V C 2.147 178.317 176.094 0.128 0.000 1.053 99 V CA 2.229 64.663 62.300 0.224 0.000 1.027 99 V CB -1.004 30.923 31.823 0.174 0.000 0.646 99 V HN 0.405 nan 8.190 nan 0.000 0.447 100 F N 0.370 120.437 119.950 0.194 0.000 2.126 100 F HA -0.203 4.322 4.527 -0.003 0.000 0.299 100 F C 2.846 178.821 175.800 0.291 0.000 1.096 100 F CA 1.948 60.117 58.000 0.282 0.000 1.255 100 F CB -0.644 38.642 39.000 0.477 0.000 0.997 100 F HN 0.084 nan 8.300 nan 0.000 0.479 101 S N -0.345 115.648 115.700 0.488 0.000 2.370 101 S HA -0.213 4.255 4.470 -0.002 0.000 0.226 101 S C 2.306 177.045 174.600 0.231 0.000 1.033 101 S CA 1.210 59.649 58.200 0.399 0.000 1.011 101 S CB -0.561 62.780 63.200 0.234 0.000 0.852 101 S HN 0.329 nan 8.310 nan 0.000 0.457 102 A N 1.257 124.099 122.820 0.038 0.000 1.877 102 A HA 0.048 4.367 4.320 -0.002 0.000 0.216 102 A C 2.216 179.839 177.584 0.064 0.000 1.186 102 A CA 1.424 53.452 52.037 -0.015 0.000 0.620 102 A CB -0.811 18.129 19.000 -0.100 0.000 0.822 102 A HN 0.567 nan 8.150 nan 0.000 0.443 103 L N -0.673 120.600 121.223 0.083 0.000 2.093 103 L HA -0.054 4.284 4.340 -0.002 0.000 0.208 103 L C 1.143 178.058 176.870 0.075 0.000 1.085 103 L CA 0.270 55.168 54.840 0.097 0.000 0.755 103 L CB -0.512 41.575 42.059 0.047 0.000 0.904 103 L HN 0.310 nan 8.230 nan 0.000 0.435 107 A N 0.563 123.042 122.820 -0.568 0.000 1.898 107 A HA -0.193 4.126 4.320 -0.002 0.000 0.216 107 A C 1.965 179.131 177.584 -0.698 0.000 1.181 107 A CA 2.137 53.447 52.037 -1.211 0.000 0.620 107 A CB -0.283 18.314 19.000 -0.671 0.000 0.819 107 A HN 0.502 nan 8.150 nan 0.000 0.442 108 E N -0.256 119.732 120.200 -0.354 0.000 2.028 108 E HA -0.221 4.128 4.350 -0.002 0.000 0.191 108 E C 2.310 178.811 176.600 -0.164 0.000 0.988 108 E CA 0.985 57.256 56.400 -0.214 0.000 0.799 108 E CB -0.295 29.323 29.700 -0.137 0.000 0.755 108 E HN 0.521 nan 8.360 nan 0.000 0.447 109 R N 0.131 120.556 120.500 -0.125 0.000 2.139 109 R HA -0.160 4.179 4.340 -0.002 0.000 0.243 109 R C 0.538 176.809 176.300 -0.048 0.000 1.145 109 R CA 1.910 57.974 56.100 -0.060 0.000 0.976 109 R CB 0.007 30.294 30.300 -0.022 0.000 0.866 109 R HN 0.184 nan 8.270 nan 0.000 0.449 110 D N -1.444 118.904 120.400 -0.087 0.000 2.395 110 D HA 0.147 4.785 4.640 -0.002 0.000 0.213 110 D C 0.439 176.759 176.300 0.034 0.000 1.110 110 D CA 0.713 54.730 54.000 0.029 0.000 0.835 110 D CB 0.857 41.785 40.800 0.212 0.000 0.965 110 D HN 0.429 nan 8.370 nan 0.000 0.505 111 G N 1.755 110.503 108.800 -0.087 0.000 2.283 111 G HA2 -0.291 3.668 3.960 -0.002 0.000 0.280 111 G HA3 -0.291 3.668 3.960 -0.002 0.000 0.280 111 G C 0.178 175.097 174.900 0.031 0.000 1.029 111 G CA 0.892 45.965 45.100 -0.046 0.000 0.840 111 G HN 0.406 nan 8.290 nan 0.000 0.505 112 F N -1.274 118.676 119.950 0.001 0.000 2.572 112 F HA 0.888 5.414 4.527 -0.002 0.000 0.342 112 F C 0.171 175.971 175.800 0.000 0.000 1.064 112 F CA -1.719 56.281 58.000 0.000 0.000 1.008 112 F CB 1.429 40.429 39.000 0.001 0.000 1.303 112 F HN 0.065 nan 8.300 nan 0.000 0.492 113 S N 1.815 117.731 115.700 0.360 0.000 2.448 113 S HA 0.324 4.792 4.470 -0.002 0.000 0.320 113 S C 0.670 175.450 174.600 0.300 0.000 1.071 113 S CA -0.630 57.692 58.200 0.204 0.000 1.113 113 S CB 0.552 63.826 63.200 0.123 0.000 0.972 113 S HN 0.779 nan 8.310 nan 0.000 0.465 114 L N 6.800 128.168 121.223 0.242 0.000 2.079 114 L HA -0.061 4.278 4.340 -0.002 0.000 0.210 114 L C 2.564 179.526 176.870 0.154 0.000 1.081 114 L CA 1.874 56.863 54.840 0.248 0.000 0.752 114 L CB -0.428 41.740 42.059 0.181 0.000 0.896 114 L HN 0.815 nan 8.230 nan 0.000 0.433 115 R N -1.585 118.983 120.500 0.114 0.000 2.293 115 R HA -0.101 4.238 4.340 -0.002 0.000 0.219 115 R C 0.731 177.068 176.300 0.062 0.000 1.091 115 R CA 1.362 57.511 56.100 0.082 0.000 1.004 115 R CB -0.655 29.682 30.300 0.061 0.000 0.865 115 R HN 0.318 nan 8.270 nan 0.000 0.469 116 D N 0.280 120.722 120.400 0.070 0.000 2.350 116 D HA 0.063 4.701 4.640 -0.002 0.000 0.213 116 D C 0.153 176.457 176.300 0.008 0.000 1.031 116 D CA 0.271 54.295 54.000 0.039 0.000 0.861 116 D CB 0.225 41.053 40.800 0.047 0.000 0.926 116 D HN 0.048 nan 8.370 nan 0.000 0.520 117 R N 0.312 120.818 120.500 0.009 0.000 2.560 117 R HA 0.410 4.748 4.340 -0.002 0.000 0.270 117 R C 0.121 176.403 176.300 -0.030 0.000 1.074 117 R CA 0.006 56.081 56.100 -0.040 0.000 1.140 117 R CB 0.245 30.518 30.300 -0.045 0.000 1.073 117 R HN -0.154 nan 8.270 nan 0.000 0.527 118 T N 2.578 117.102 114.554 -0.049 0.000 2.786 118 T HA 0.519 4.868 4.350 -0.002 0.000 0.283 118 T C 0.195 174.865 174.700 -0.050 0.000 0.992 118 T CA -0.475 61.602 62.100 -0.040 0.000 0.954 118 T CB 0.773 69.617 68.868 -0.040 0.000 0.934 118 T HN 0.267 nan 8.240 nan 0.000 0.440 119 I N 2.736 123.281 120.570 -0.042 0.000 2.389 119 I HA 0.463 4.632 4.170 -0.002 0.000 0.288 119 I C 0.763 176.846 176.117 -0.056 0.000 0.999 119 I CA -0.856 60.411 61.300 -0.054 0.000 1.129 119 I CB 1.714 39.684 38.000 -0.050 0.000 1.288 119 I HN 0.686 nan 8.210 nan 0.000 0.444 120 G N 7.399 116.151 108.800 -0.081 0.000 2.319 120 G HA2 0.632 4.590 3.960 -0.002 0.000 0.308 120 G HA3 0.632 4.590 3.960 -0.002 0.000 0.308 120 G C -0.479 174.343 174.900 -0.129 0.000 1.117 120 G CA -0.405 44.637 45.100 -0.096 0.000 0.903 120 G HN 0.533 nan 8.290 nan 0.000 0.436 121 I N 2.566 123.090 120.570 -0.077 0.000 2.312 121 I HA 0.182 4.350 4.170 -0.002 0.000 0.290 121 I C -0.294 175.781 176.117 -0.068 0.000 1.008 121 I CA -0.769 60.503 61.300 -0.046 0.000 1.226 121 I CB 1.916 39.935 38.000 0.032 0.000 1.371 121 I HN 0.042 nan 8.210 nan 0.000 0.468 122 V N 5.504 125.315 119.914 -0.172 0.000 2.318 122 V HA 0.694 4.813 4.120 -0.002 0.000 0.271 122 V C 0.516 176.605 176.094 -0.009 0.000 1.030 122 V CA -0.558 61.653 62.300 -0.150 0.000 0.844 122 V CB 0.558 32.139 31.823 -0.402 0.000 1.015 122 V HN 1.072 nan 8.190 nan 0.000 0.460 123 G N 3.645 112.470 108.800 0.041 0.000 3.251 123 G HA2 -0.058 3.901 3.960 -0.002 0.000 0.680 123 G HA3 -0.058 3.901 3.960 -0.002 0.000 0.680 123 G C -0.762 174.192 174.900 0.089 0.000 1.129 123 G CA -0.487 44.651 45.100 0.063 0.000 0.994 123 G HN 0.846 nan 8.290 nan 0.000 0.450 124 V N 3.240 123.203 119.914 0.082 0.000 2.412 124 V HA 0.664 4.782 4.120 -0.002 0.000 0.270 124 V C 1.327 177.466 176.094 0.074 0.000 1.169 124 V CA 0.602 62.964 62.300 0.103 0.000 1.319 124 V CB 0.107 32.046 31.823 0.195 0.000 1.467 124 V HN 1.191 nan 8.190 nan 0.000 0.535 125 G N 0.634 109.461 108.800 0.045 0.000 3.134 125 G HA2 0.166 4.125 3.960 -0.002 0.000 0.158 125 G HA3 0.166 4.125 3.960 -0.002 0.000 0.158 125 G C 0.851 175.761 174.900 0.018 0.000 1.334 125 G CA -0.144 44.974 45.100 0.031 0.000 1.001 125 G HN 0.303 nan 8.290 nan 0.000 0.600 126 N N -0.475 118.232 118.700 0.013 0.000 2.061 126 N HA -0.151 4.587 4.740 -0.002 0.000 0.193 126 N C 2.324 177.818 175.510 -0.028 0.000 1.030 126 N CA 1.595 54.646 53.050 0.002 0.000 0.856 126 N CB -0.322 38.172 38.487 0.010 0.000 1.023 126 N HN 0.144 nan 8.380 nan 0.000 0.424 127 V N 0.464 120.345 119.914 -0.056 0.000 2.302 127 V HA -0.035 4.084 4.120 -0.002 0.000 0.243 127 V C 2.501 178.466 176.094 -0.215 0.000 1.036 127 V CA 1.878 64.086 62.300 -0.153 0.000 1.020 127 V CB -1.149 30.541 31.823 -0.221 0.000 0.657 127 V HN 0.302 nan 8.190 nan 0.000 0.453 128 G N 0.542 109.240 108.800 -0.170 0.000 2.422 128 G HA2 -0.274 3.685 3.960 -0.002 0.000 0.218 128 G HA3 -0.274 3.685 3.960 -0.002 0.000 0.218 128 G C 1.886 176.768 174.900 -0.030 0.000 1.146 128 G CA 1.488 46.526 45.100 -0.103 0.000 0.769 128 G HN 0.626 nan 8.290 nan 0.000 0.547 129 S N 0.552 116.250 115.700 -0.003 0.000 2.368 129 S HA -0.036 4.432 4.470 -0.002 0.000 0.224 129 S C 2.256 176.863 174.600 0.012 0.000 1.029 129 S CA 1.008 59.220 58.200 0.020 0.000 0.988 129 S CB -0.322 62.899 63.200 0.035 0.000 0.838 129 S HN 0.425 nan 8.310 nan 0.000 0.462 130 R N 0.339 120.836 120.500 -0.006 0.000 2.096 130 R HA 0.084 4.422 4.340 -0.002 0.000 0.235 130 R C 2.374 178.695 176.300 0.035 0.000 1.127 130 R CA 1.277 57.379 56.100 0.004 0.000 0.968 130 R CB -0.637 29.651 30.300 -0.021 0.000 0.861 130 R HN 0.396 nan 8.270 nan 0.000 0.440 131 L N 1.372 122.602 121.223 0.012 0.000 2.046 131 L HA -0.202 4.137 4.340 -0.002 0.000 0.208 131 L C 2.451 179.383 176.870 0.105 0.000 1.077 131 L CA 1.784 56.669 54.840 0.075 0.000 0.747 131 L CB -0.619 41.417 42.059 -0.039 0.000 0.896 131 L HN 0.180 nan 8.230 nan 0.000 0.432 132 Q N -1.121 118.710 119.800 0.052 0.000 2.077 132 Q HA -0.250 4.088 4.340 -0.002 0.000 0.206 132 Q C 1.959 178.003 176.000 0.073 0.000 0.989 132 Q CA 2.703 58.536 55.803 0.051 0.000 0.853 132 Q CB -0.241 28.512 28.738 0.026 0.000 0.907 132 Q HN 0.570 nan 8.270 nan 0.000 0.418 133 T N 0.682 115.276 114.554 0.067 0.000 2.699 133 T HA -0.169 4.179 4.350 -0.002 0.000 0.268 133 T C 1.794 176.554 174.700 0.101 0.000 1.036 133 T CA 1.695 63.835 62.100 0.066 0.000 1.147 133 T CB -0.137 68.760 68.868 0.049 0.000 0.862 133 T HN 0.352 nan 8.240 nan 0.000 0.446 134 R N 0.171 120.764 120.500 0.155 0.000 2.075 134 R HA 0.179 4.517 4.340 -0.002 0.000 0.226 134 R C 2.535 179.032 176.300 0.328 0.000 1.114 134 R CA 0.719 56.945 56.100 0.210 0.000 0.972 134 R CB -0.427 30.009 30.300 0.227 0.000 0.869 134 R HN 0.337 nan 8.270 nan 0.000 0.437 135 L N 0.969 122.410 121.223 0.363 0.000 2.042 135 L HA -0.200 4.139 4.340 -0.002 0.000 0.210 135 L C 2.174 179.143 176.870 0.164 0.000 1.076 135 L CA 1.524 56.531 54.840 0.278 0.000 0.749 135 L CB -0.423 41.719 42.059 0.139 0.000 0.893 135 L HN 0.239 nan 8.230 nan 0.000 0.432 136 E N 0.143 120.412 120.200 0.115 0.000 2.110 136 E HA -0.211 4.138 4.350 -0.002 0.000 0.193 136 E C 2.287 178.930 176.600 0.071 0.000 0.988 136 E CA 1.093 57.536 56.400 0.072 0.000 0.804 136 E CB -0.193 29.535 29.700 0.046 0.000 0.745 136 E HN 0.516 nan 8.360 nan 0.000 0.458 137 A N 0.970 123.842 122.820 0.086 0.000 2.019 137 A HA -0.099 4.220 4.320 -0.002 0.000 0.219 137 A C 2.034 179.658 177.584 0.067 0.000 1.164 137 A CA 0.839 52.916 52.037 0.066 0.000 0.644 137 A CB -0.323 18.717 19.000 0.067 0.000 0.805 137 A HN 0.152 nan 8.150 nan 0.000 0.449 138 L N -1.346 119.937 121.223 0.100 0.000 2.591 138 L HA 0.154 4.493 4.340 -0.002 0.000 0.228 138 L C 1.653 178.567 176.870 0.074 0.000 1.133 138 L CA 0.536 55.434 54.840 0.097 0.000 0.880 138 L CB -0.154 42.003 42.059 0.162 0.000 1.033 138 L HN 0.581 nan 8.230 nan 0.000 0.450 139 G N 1.044 109.882 108.800 0.064 0.000 2.143 139 G HA2 -0.298 3.660 3.960 -0.002 0.000 0.248 139 G HA3 -0.298 3.660 3.960 -0.002 0.000 0.248 139 G C 0.189 175.116 174.900 0.045 0.000 0.991 139 G CA -0.141 44.985 45.100 0.043 0.000 0.689 139 G HN 0.292 nan 8.290 nan 0.000 0.522 140 I N 0.607 121.214 120.570 0.063 0.000 2.471 140 I HA 0.226 4.395 4.170 -0.002 0.000 0.286 140 I C 1.221 177.356 176.117 0.030 0.000 1.079 140 I CA -0.597 60.733 61.300 0.051 0.000 1.398 140 I CB 0.764 38.805 38.000 0.068 0.000 1.403 140 I HN 0.230 nan 8.210 nan 0.000 0.530 141 R N 4.883 125.392 120.500 0.014 0.000 2.449 141 R HA 0.171 4.509 4.340 -0.002 0.000 0.296 141 R C -0.397 175.899 176.300 -0.006 0.000 1.047 141 R CA 0.105 56.206 56.100 0.001 0.000 1.018 141 R CB 0.442 30.739 30.300 -0.006 0.000 0.962 141 R HN 0.749 nan 8.270 nan 0.000 0.428 142 T N 2.838 117.386 114.554 -0.010 0.000 2.848 142 T HA 0.437 4.785 4.350 -0.002 0.000 0.285 142 T C -0.354 174.331 174.700 -0.025 0.000 0.995 142 T CA -0.965 61.126 62.100 -0.016 0.000 0.970 142 T CB 0.940 69.805 68.868 -0.005 0.000 0.976 142 T HN 0.377 nan 8.240 nan 0.000 0.441 143 L N 3.696 124.902 121.223 -0.028 0.000 2.289 143 L HA 0.570 4.909 4.340 -0.002 0.000 0.285 143 L C -0.219 176.641 176.870 -0.017 0.000 1.049 143 L CA -1.048 53.776 54.840 -0.027 0.000 0.804 143 L CB 1.236 43.281 42.059 -0.024 0.000 1.195 143 L HN 0.508 nan 8.230 nan 0.000 0.428 144 L N 3.152 124.371 121.223 -0.007 0.000 2.295 144 L HA 0.500 4.838 4.340 -0.002 0.000 0.285 144 L C -0.462 176.492 176.870 0.140 0.000 1.035 144 L CA -0.411 54.459 54.840 0.050 0.000 0.806 144 L CB 1.762 43.820 42.059 -0.000 0.000 1.214 144 L HN 0.643 nan 8.230 nan 0.000 0.426 145 C N 3.269 122.652 119.300 0.139 0.000 2.346 145 C HA 0.557 5.015 4.460 -0.002 0.000 0.326 145 C C -0.832 174.228 174.990 0.117 0.000 1.224 145 C CA -0.249 58.851 59.018 0.138 0.000 1.408 145 C CB 0.518 28.290 27.740 0.053 0.000 2.089 145 C HN 0.906 nan 8.230 nan 0.000 0.456 146 D N 6.477 126.919 120.400 0.070 0.000 2.584 146 D HA 0.234 4.872 4.640 -0.002 0.000 0.238 146 D C -2.077 174.050 176.300 -0.288 0.000 1.302 146 D CA -0.684 53.242 54.000 -0.122 0.000 0.884 146 D CB 1.636 42.328 40.800 -0.181 0.000 1.456 146 D HN 0.257 nan 8.370 nan 0.000 0.528 147 P HA -0.037 nan 4.420 nan 0.000 0.216 147 P C -1.652 175.451 177.300 -0.328 0.000 1.150 147 P CA 0.828 63.856 63.100 -0.120 0.000 0.837 147 P CB -0.219 31.583 31.700 0.171 0.000 0.786 148 P HA -0.098 nan 4.420 nan 0.000 0.215 148 P C 1.536 178.616 177.300 -0.367 0.000 1.153 148 P CA 1.527 64.260 63.100 -0.612 0.000 0.853 148 P CB -0.259 31.095 31.700 -0.577 0.000 0.788 149 R N -0.550 119.691 120.500 -0.432 0.000 2.066 149 R HA -0.021 4.317 4.340 -0.002 0.000 0.232 149 R C 2.311 178.332 176.300 -0.464 0.000 1.131 149 R CA 1.439 57.279 56.100 -0.434 0.000 0.955 149 R CB -1.103 28.869 30.300 -0.547 0.000 0.851 149 R HN 0.123 nan 8.270 nan 0.000 0.432 150 A N 1.537 123.956 122.820 -0.668 0.000 1.873 150 A HA -0.199 4.120 4.320 -0.002 0.000 0.218 150 A C 2.408 179.926 177.584 -0.110 0.000 1.193 150 A CA 1.980 53.813 52.037 -0.339 0.000 0.629 150 A CB -0.903 17.966 19.000 -0.220 0.000 0.826 150 A HN 0.415 nan 8.150 nan 0.000 0.447 151 A N -0.952 121.814 122.820 -0.090 0.000 1.978 151 A HA -0.179 4.139 4.320 -0.002 0.000 0.220 151 A C 2.207 179.785 177.584 -0.010 0.000 1.170 151 A CA 1.861 53.897 52.037 -0.002 0.000 0.636 151 A CB -0.396 18.650 19.000 0.077 0.000 0.810 151 A HN 0.513 nan 8.150 nan 0.000 0.448 152 R N -1.865 118.604 120.500 -0.052 0.000 2.299 152 R HA 0.191 4.529 4.340 -0.002 0.000 0.197 152 R C 1.235 177.530 176.300 -0.008 0.000 0.971 152 R CA 0.779 56.861 56.100 -0.031 0.000 1.030 152 R CB -0.027 30.240 30.300 -0.056 0.000 0.932 152 R HN 0.714 nan 8.270 nan 0.000 0.477 153 G N 0.562 109.362 108.800 -0.000 0.000 2.159 153 G HA2 -0.225 3.733 3.960 -0.002 0.000 0.227 153 G HA3 -0.225 3.733 3.960 -0.002 0.000 0.227 153 G C -0.563 174.377 174.900 0.067 0.000 0.986 153 G CA 0.015 45.136 45.100 0.036 0.000 0.651 153 G HN 0.332 nan 8.290 nan 0.000 0.523 154 D N 0.730 121.170 120.400 0.068 0.000 2.419 154 D HA 0.403 5.042 4.640 -0.002 0.000 0.236 154 D C 0.757 177.219 176.300 0.270 0.000 1.165 154 D CA 0.349 54.441 54.000 0.152 0.000 0.882 154 D CB 0.621 41.520 40.800 0.166 0.000 1.201 154 D HN 0.504 nan 8.370 nan 0.000 0.443 155 E N -0.674 119.648 120.200 0.203 0.000 2.349 155 E HA 0.532 4.881 4.350 -0.002 0.000 0.265 155 E C 0.106 176.741 176.600 0.058 0.000 1.064 155 E CA -0.208 56.269 56.400 0.127 0.000 0.886 155 E CB 0.829 30.563 29.700 0.058 0.000 1.036 155 E HN 0.564 nan 8.360 nan 0.000 0.413 156 G N 2.408 111.128 108.800 -0.134 0.000 2.335 156 G HA2 -0.080 3.878 3.960 -0.002 0.000 0.592 156 G HA3 -0.080 3.878 3.960 -0.002 0.000 0.592 156 G C -1.427 173.127 174.900 -0.577 0.000 1.442 156 G CA -0.842 43.964 45.100 -0.490 0.000 0.976 156 G HN 0.534 nan 8.290 nan 0.000 0.652 157 D N 0.415 120.519 120.400 -0.492 0.000 2.517 157 D HA 0.468 5.107 4.640 -0.002 0.000 0.220 157 D C -0.155 175.963 176.300 -0.305 0.000 1.158 157 D CA -0.234 53.595 54.000 -0.285 0.000 0.992 157 D CB -0.397 40.308 40.800 -0.159 0.000 1.058 157 D HN 0.213 nan 8.370 nan 0.000 0.516 158 F N 3.609 123.564 119.950 0.008 0.000 2.421 158 F HA 0.319 4.844 4.527 -0.003 0.000 0.358 158 F C 1.291 177.098 175.800 0.012 0.000 1.115 158 F CA -0.563 57.442 58.000 0.008 0.000 1.160 158 F CB 0.524 39.530 39.000 0.011 0.000 1.123 158 F HN -0.077 nan 8.300 nan 0.000 0.508 159 R N 0.656 121.258 120.500 0.171 0.000 2.607 159 R HA 0.458 4.797 4.340 -0.002 0.000 0.261 159 R C 0.185 176.548 176.300 0.103 0.000 1.051 159 R CA -0.689 55.472 56.100 0.103 0.000 1.110 159 R CB 0.420 30.752 30.300 0.053 0.000 1.158 159 R HN 0.622 nan 8.270 nan 0.000 0.543 160 T N -1.641 112.958 114.554 0.075 0.000 2.868 160 T HA 0.084 4.432 4.350 -0.002 0.000 0.292 160 T C 1.377 176.111 174.700 0.057 0.000 1.028 160 T CA -0.748 61.394 62.100 0.070 0.000 1.059 160 T CB 0.666 69.569 68.868 0.058 0.000 0.991 160 T HN 0.407 nan 8.240 nan 0.000 0.531 161 L N 0.920 122.180 121.223 0.063 0.000 2.042 161 L HA -0.021 4.317 4.340 -0.002 0.000 0.210 161 L C 1.873 178.769 176.870 0.043 0.000 1.076 161 L CA 1.969 56.843 54.840 0.055 0.000 0.749 161 L CB -1.273 40.837 42.059 0.085 0.000 0.893 161 L HN 0.737 nan 8.230 nan 0.000 0.432 162 D N -0.159 120.267 120.400 0.044 0.000 2.123 162 D HA -0.208 4.430 4.640 -0.002 0.000 0.196 162 D C 2.119 178.433 176.300 0.023 0.000 0.992 162 D CA 1.576 55.596 54.000 0.033 0.000 0.833 162 D CB -0.064 40.754 40.800 0.031 0.000 0.954 162 D HN 0.545 nan 8.370 nan 0.000 0.455 163 E N -0.467 119.747 120.200 0.024 0.000 2.110 163 E HA -0.132 4.216 4.350 -0.002 0.000 0.193 163 E C 1.937 178.541 176.600 0.005 0.000 0.988 163 E CA 0.375 56.785 56.400 0.016 0.000 0.804 163 E CB 0.034 29.747 29.700 0.022 0.000 0.745 163 E HN 0.143 nan 8.360 nan 0.000 0.458 164 L N 0.024 121.248 121.223 0.002 0.000 2.072 164 L HA -0.152 4.187 4.340 -0.002 0.000 0.205 164 L C 2.274 179.132 176.870 -0.021 0.000 1.079 164 L CA 1.111 55.939 54.840 -0.019 0.000 0.752 164 L CB -0.521 41.514 42.059 -0.041 0.000 0.906 164 L HN 0.019 nan 8.230 nan 0.000 0.436 165 V N -0.811 119.100 119.914 -0.005 0.000 2.332 165 V HA -0.342 3.776 4.120 -0.002 0.000 0.248 165 V C 2.459 178.551 176.094 -0.004 0.000 1.055 165 V CA 1.660 63.961 62.300 0.001 0.000 1.038 165 V CB -0.693 31.143 31.823 0.021 0.000 0.651 165 V HN 0.537 nan 8.190 nan 0.000 0.450 166 Q N -0.512 119.287 119.800 -0.001 0.000 2.170 166 Q HA -0.196 4.142 4.340 -0.002 0.000 0.203 166 Q C 1.998 177.991 176.000 -0.011 0.000 0.976 166 Q CA 1.637 57.437 55.803 -0.004 0.000 0.858 166 Q CB -0.038 28.700 28.738 -0.000 0.000 0.907 166 Q HN 0.714 nan 8.270 nan 0.000 0.433 167 E N -0.786 119.405 120.200 -0.016 0.000 2.465 167 E HA 0.224 4.572 4.350 -0.002 0.000 0.209 167 E C -0.268 176.314 176.600 -0.031 0.000 0.951 167 E CA -0.171 56.217 56.400 -0.021 0.000 0.997 167 E CB 0.937 30.627 29.700 -0.017 0.000 1.025 167 E HN 0.125 nan 8.360 nan 0.000 0.500 168 A N 1.807 124.605 122.820 -0.037 0.000 2.282 168 A HA 0.277 4.595 4.320 -0.002 0.000 0.319 168 A C -0.095 177.454 177.584 -0.058 0.000 1.121 168 A CA -0.465 51.542 52.037 -0.050 0.000 0.836 168 A CB 0.487 19.451 19.000 -0.060 0.000 1.146 168 A HN 0.105 nan 8.150 nan 0.000 0.494 169 D N -0.566 119.789 120.400 -0.074 0.000 2.469 169 D HA 0.266 4.905 4.640 -0.002 0.000 0.213 169 D C -0.410 175.827 176.300 -0.104 0.000 1.135 169 D CA 0.062 54.006 54.000 -0.094 0.000 0.834 169 D CB 0.179 40.906 40.800 -0.122 0.000 1.009 169 D HN 0.157 nan 8.370 nan 0.000 0.507 170 V N 0.889 120.750 119.914 -0.088 0.000 2.638 170 V HA 0.496 4.614 4.120 -0.002 0.000 0.306 170 V C -1.366 174.677 176.094 -0.086 0.000 1.052 170 V CA -0.919 61.335 62.300 -0.077 0.000 0.885 170 V CB 2.286 34.067 31.823 -0.070 0.000 0.999 170 V HN 0.088 nan 8.190 nan 0.000 0.424 171 L N 4.086 125.257 121.223 -0.087 0.000 2.372 171 L HA 0.768 5.107 4.340 -0.002 0.000 0.274 171 L C -0.277 176.462 176.870 -0.217 0.000 0.988 171 L CA 0.330 55.065 54.840 -0.175 0.000 0.833 171 L CB 1.954 43.931 42.059 -0.137 0.000 1.236 171 L HN 0.772 nan 8.230 nan 0.000 0.410 172 T N 4.659 119.021 114.554 -0.321 0.000 2.841 172 T HA 0.643 4.992 4.350 -0.002 0.000 0.283 172 T C -0.993 173.344 174.700 -0.605 0.000 1.000 172 T CA -0.212 61.711 62.100 -0.295 0.000 0.977 172 T CB 0.330 69.163 68.868 -0.059 0.000 0.979 172 T HN 0.222 nan 8.240 nan 0.000 0.446 173 F N 4.136 123.815 119.950 -0.451 0.000 2.420 173 F HA 0.473 4.998 4.527 -0.003 0.000 0.342 173 F C 1.141 176.498 175.800 -0.738 0.000 1.113 173 F CA -0.639 57.108 58.000 -0.422 0.000 1.059 173 F CB 1.146 39.994 39.000 -0.253 0.000 1.128 173 F HN 0.602 nan 8.300 nan 0.000 0.475 174 H N 0.911 120.030 119.070 0.081 0.000 3.074 174 H HA 0.145 4.700 4.556 -0.003 0.000 0.227 174 H C -0.108 175.223 175.328 0.005 0.000 1.365 174 H CA -0.238 55.825 56.048 0.025 0.000 1.078 174 H CB 0.458 30.221 29.762 0.002 0.000 2.347 174 H HN 0.591 nan 8.280 nan 0.000 0.567 175 T N -1.243 113.348 114.554 0.061 0.000 2.936 175 T HA 0.582 4.930 4.350 -0.002 0.000 0.282 175 T C -2.368 172.264 174.700 -0.113 0.000 1.003 175 T CA -1.854 60.232 62.100 -0.023 0.000 1.005 175 T CB 2.588 71.449 68.868 -0.011 0.000 1.097 175 T HN -0.074 nan 8.240 nan 0.000 0.532 176 P HA 0.446 nan 4.420 nan 0.000 0.302 176 P C -1.119 175.945 177.300 -0.394 0.000 1.307 176 P CA -0.923 61.968 63.100 -0.349 0.000 0.754 176 P CB 0.268 31.635 31.700 -0.554 0.000 1.298 177 L N 0.768 121.811 121.223 -0.300 0.000 2.264 177 L HA 0.364 4.703 4.340 -0.002 0.000 0.287 177 L C -1.400 175.422 176.870 -0.081 0.000 1.039 177 L CA -0.397 54.340 54.840 -0.173 0.000 0.829 177 L CB -0.933 41.089 42.059 -0.062 0.000 1.211 177 L HN 0.114 nan 8.230 nan 0.000 0.427 178 Y N 3.868 124.182 120.300 0.024 0.000 2.335 178 Y HA 0.406 4.954 4.550 -0.002 0.000 0.338 178 Y C 0.973 176.878 175.900 0.009 0.000 0.977 178 Y CA -1.140 56.977 58.100 0.028 0.000 1.114 178 Y CB 1.660 40.156 38.460 0.059 0.000 1.182 178 Y HN 0.534 nan 8.280 nan 0.000 0.463 179 K N 0.973 121.471 120.400 0.163 0.000 2.356 179 K HA 0.077 4.395 4.320 -0.002 0.000 0.195 179 K C -0.654 175.971 176.600 0.041 0.000 1.037 179 K CA 0.803 57.126 56.287 0.061 0.000 1.014 179 K CB 0.360 32.875 32.500 0.025 0.000 0.815 179 K HN 0.781 nan 8.250 nan 0.000 0.507 180 D N -1.857 118.573 120.400 0.049 0.000 2.825 180 D HA 0.526 5.164 4.640 -0.002 0.000 0.327 180 D C 0.055 176.351 176.300 -0.007 0.000 1.277 180 D CA -0.332 53.676 54.000 0.013 0.000 0.950 180 D CB 0.400 41.194 40.800 -0.011 0.000 1.438 180 D HN 0.024 nan 8.370 nan 0.000 0.526 181 G N -0.849 107.925 108.800 -0.044 0.000 2.728 181 G HA2 -0.059 3.900 3.960 -0.002 0.000 0.294 181 G HA3 -0.059 3.900 3.960 -0.002 0.000 0.294 181 G C -2.122 172.700 174.900 -0.130 0.000 1.342 181 G CA -0.330 44.713 45.100 -0.095 0.000 0.866 181 G HN 0.598 nan 8.290 nan 0.000 0.534 182 P HA 0.111 nan 4.420 nan 0.000 0.233 182 P C 0.541 177.573 177.300 -0.446 0.000 1.167 182 P CA 1.328 64.168 63.100 -0.433 0.000 0.770 182 P CB -0.032 31.247 31.700 -0.701 0.000 0.837 183 Y N -0.753 119.570 120.300 0.039 0.000 2.636 183 Y HA 0.282 4.830 4.550 -0.002 0.000 0.260 183 Y C 0.896 176.907 175.900 0.185 0.000 1.177 183 Y CA -1.576 56.590 58.100 0.109 0.000 1.209 183 Y CB -0.573 37.972 38.460 0.143 0.000 1.166 183 Y HN -0.179 nan 8.280 nan 0.000 0.531 184 K N 1.763 122.286 120.400 0.205 0.000 2.476 184 K HA -0.129 4.190 4.320 -0.002 0.000 0.273 184 K C 1.095 177.800 176.600 0.174 0.000 1.056 184 K CA 1.325 57.720 56.287 0.180 0.000 1.150 184 K CB 0.454 33.004 32.500 0.083 0.000 0.838 184 K HN 0.441 nan 8.250 nan 0.000 0.486 185 T N 1.930 116.579 114.554 0.158 0.000 3.010 185 T HA 0.056 4.405 4.350 -0.002 0.000 0.257 185 T C 0.486 175.198 174.700 0.020 0.000 1.020 185 T CA -0.480 61.664 62.100 0.073 0.000 0.938 185 T CB 0.097 68.969 68.868 0.007 0.000 1.049 185 T HN 0.460 nan 8.240 nan 0.000 0.522 186 L N 3.825 125.060 121.223 0.020 0.000 2.584 186 L HA 0.207 4.546 4.340 -0.002 0.000 0.272 186 L C 0.353 177.247 176.870 0.039 0.000 1.195 186 L CA 0.764 55.584 54.840 -0.034 0.000 0.920 186 L CB -1.202 40.799 42.059 -0.097 0.000 1.173 186 L HN 0.592 nan 8.230 nan 0.000 0.489 187 H N 2.594 121.613 119.070 -0.084 0.000 2.839 187 H HA -0.224 4.330 4.556 -0.003 0.000 0.298 187 H C 1.104 176.379 175.328 -0.088 0.000 1.224 187 H CA 0.367 56.358 56.048 -0.094 0.000 1.144 187 H CB -0.642 29.085 29.762 -0.058 0.000 1.372 187 H HN 0.668 nan 8.280 nan 0.000 0.408 188 L N 0.646 121.870 121.223 0.001 0.000 2.042 188 L HA 0.025 4.363 4.340 -0.002 0.000 0.210 188 L C 1.629 178.470 176.870 -0.048 0.000 1.076 188 L CA 2.328 57.167 54.840 -0.001 0.000 0.749 188 L CB -0.165 41.904 42.059 0.016 0.000 0.893 188 L HN 0.400 nan 8.230 nan 0.000 0.432 189 A N 0.489 123.180 122.820 -0.215 0.000 2.798 189 A HA 0.395 4.713 4.320 -0.002 0.000 0.316 189 A C -0.466 177.010 177.584 -0.181 0.000 1.506 189 A CA -0.499 51.420 52.037 -0.197 0.000 1.162 189 A CB -0.932 17.840 19.000 -0.381 0.000 1.138 189 A HN 0.517 nan 8.150 nan 0.000 0.532 190 D N 0.394 120.728 120.400 -0.111 0.000 2.539 190 D HA 0.094 4.732 4.640 -0.002 0.000 0.276 190 D C 1.004 177.247 176.300 -0.096 0.000 1.206 190 D CA -0.415 53.505 54.000 -0.134 0.000 1.081 190 D CB 0.178 40.937 40.800 -0.069 0.000 1.142 190 D HN 0.414 nan 8.370 nan 0.000 0.595 191 E N -0.698 119.451 120.200 -0.084 0.000 2.085 191 E HA -0.213 4.135 4.350 -0.002 0.000 0.194 191 E C 1.507 178.089 176.600 -0.030 0.000 0.994 191 E CA 1.689 58.056 56.400 -0.055 0.000 0.801 191 E CB -0.183 29.491 29.700 -0.044 0.000 0.743 191 E HN 0.494 nan 8.360 nan 0.000 0.453 192 T N 1.746 116.288 114.554 -0.020 0.000 2.684 192 T HA -0.187 4.161 4.350 -0.002 0.000 0.267 192 T C 1.871 176.571 174.700 -0.001 0.000 1.036 192 T CA 1.432 63.528 62.100 -0.007 0.000 1.148 192 T CB -0.309 68.558 68.868 -0.000 0.000 0.863 192 T HN 0.260 nan 8.240 nan 0.000 0.436 193 L N 0.243 121.467 121.223 0.002 0.000 2.056 193 L HA 0.028 4.367 4.340 -0.002 0.000 0.207 193 L C 2.279 179.159 176.870 0.016 0.000 1.078 193 L CA 1.358 56.210 54.840 0.020 0.000 0.749 193 L CB -0.298 41.785 42.059 0.041 0.000 0.901 193 L HN 0.237 nan 8.230 nan 0.000 0.433 194 I N -0.174 120.394 120.570 -0.003 0.000 2.226 194 I HA -0.310 3.859 4.170 -0.002 0.000 0.245 194 I C 2.771 178.886 176.117 -0.003 0.000 1.100 194 I CA 1.372 62.669 61.300 -0.005 0.000 1.374 194 I CB -0.373 37.608 38.000 -0.031 0.000 1.057 194 I HN 0.304 nan 8.210 nan 0.000 0.413 195 R N 1.210 121.705 120.500 -0.007 0.000 2.152 195 R HA -0.135 4.203 4.340 -0.002 0.000 0.232 195 R C 2.176 178.475 176.300 -0.002 0.000 1.117 195 R CA 1.259 57.355 56.100 -0.006 0.000 0.981 195 R CB -0.036 30.259 30.300 -0.007 0.000 0.870 195 R HN 0.332 nan 8.270 nan 0.000 0.451 196 R N 0.019 120.520 120.500 0.002 0.000 2.275 196 R HA 0.111 4.450 4.340 -0.002 0.000 0.199 196 R C 0.403 176.704 176.300 0.001 0.000 0.989 196 R CA -0.059 56.043 56.100 0.003 0.000 1.016 196 R CB -0.007 30.298 30.300 0.007 0.000 0.918 196 R HN 0.155 nan 8.270 nan 0.000 0.473 197 L N 2.157 123.382 121.223 0.003 0.000 2.514 197 L HA -0.022 4.316 4.340 -0.002 0.000 0.280 197 L C 0.499 177.362 176.870 -0.012 0.000 1.223 197 L CA 0.356 55.195 54.840 -0.002 0.000 0.864 197 L CB 0.282 42.343 42.059 0.003 0.000 1.118 197 L HN -0.012 nan 8.230 nan 0.000 0.494 198 K N 3.776 124.164 120.400 -0.021 0.000 2.319 198 K HA 0.131 4.450 4.320 -0.002 0.000 0.265 198 K C -2.165 174.416 176.600 -0.032 0.000 1.000 198 K CA -1.447 54.824 56.287 -0.028 0.000 0.943 198 K CB 0.098 32.575 32.500 -0.038 0.000 0.950 198 K HN 0.298 nan 8.250 nan 0.000 0.485 199 P HA -0.075 nan 4.420 nan 0.000 0.260 199 P C 0.456 177.729 177.300 -0.046 0.000 1.185 199 P CA 0.853 63.936 63.100 -0.028 0.000 0.763 199 P CB 0.352 32.038 31.700 -0.023 0.000 0.776 200 G N 2.033 110.807 108.800 -0.043 0.000 2.176 200 G HA2 -0.150 3.808 3.960 -0.002 0.000 0.253 200 G HA3 -0.150 3.808 3.960 -0.002 0.000 0.253 200 G C 0.445 175.284 174.900 -0.102 0.000 0.979 200 G CA -0.007 45.053 45.100 -0.067 0.000 0.641 200 G HN 0.846 nan 8.290 nan 0.000 0.530 201 A N -0.375 122.400 122.820 -0.074 0.000 2.406 201 A HA 0.683 5.002 4.320 -0.002 0.000 0.243 201 A C 0.421 177.972 177.584 -0.054 0.000 1.082 201 A CA 0.415 52.406 52.037 -0.077 0.000 0.786 201 A CB 0.335 19.305 19.000 -0.049 0.000 1.029 201 A HN 0.874 nan 8.150 nan 0.000 0.495 202 I N 1.021 121.561 120.570 -0.051 0.000 2.406 202 I HA 0.332 4.501 4.170 -0.002 0.000 0.290 202 I C -0.800 175.318 176.117 0.002 0.000 0.999 202 I CA -0.564 60.729 61.300 -0.013 0.000 1.124 202 I CB 1.701 39.699 38.000 -0.003 0.000 1.289 202 I HN 0.552 nan 8.210 nan 0.000 0.441 203 L N 8.428 129.664 121.223 0.023 0.000 2.313 203 L HA 0.645 4.984 4.340 -0.002 0.000 0.283 203 L C -1.012 175.888 176.870 0.050 0.000 1.013 203 L CA -0.052 54.819 54.840 0.052 0.000 0.816 203 L CB 1.131 43.224 42.059 0.056 0.000 1.236 203 L HN 0.408 nan 8.230 nan 0.000 0.419 204 I N 4.630 125.244 120.570 0.074 0.000 2.447 204 I HA 0.388 4.556 4.170 -0.002 0.000 0.287 204 I C -0.843 175.311 176.117 0.063 0.000 1.023 204 I CA -0.598 60.734 61.300 0.053 0.000 1.083 204 I CB 1.859 39.890 38.000 0.051 0.000 1.245 204 I HN 0.598 nan 8.210 nan 0.000 0.434 205 N N 5.299 123.984 118.700 -0.026 0.000 2.623 205 N HA 0.516 5.254 4.740 -0.002 0.000 0.256 205 N C -0.452 174.962 175.510 -0.161 0.000 1.045 205 N CA -0.333 52.657 53.050 -0.100 0.000 0.863 205 N CB 1.695 40.058 38.487 -0.207 0.000 1.182 205 N HN 0.687 nan 8.380 nan 0.000 0.523 206 A N 2.294 125.034 122.820 -0.133 0.000 2.713 206 A HA 0.248 4.566 4.320 -0.002 0.000 0.296 206 A C 1.320 178.812 177.584 -0.153 0.000 1.255 206 A CA -0.229 51.703 52.037 -0.174 0.000 0.955 206 A CB -0.930 17.996 19.000 -0.123 0.000 1.149 206 A HN 0.812 nan 8.150 nan 0.000 0.538 207 C N -1.386 117.820 119.300 -0.158 0.000 3.434 207 C HA 0.618 5.076 4.460 -0.002 0.000 0.227 207 C C 0.538 175.440 174.990 -0.146 0.000 2.110 207 C CA -0.302 58.656 59.018 -0.101 0.000 1.357 207 C CB -0.120 27.593 27.740 -0.045 0.000 1.454 207 C HN 0.353 nan 8.230 nan 0.000 0.755 208 R N 0.897 121.310 120.500 -0.146 0.000 2.686 208 R HA 0.413 4.752 4.340 -0.002 0.000 0.283 208 R C 0.988 177.198 176.300 -0.150 0.000 0.978 208 R CA 0.235 56.258 56.100 -0.128 0.000 0.897 208 R CB 1.356 31.610 30.300 -0.076 0.000 1.192 208 R HN 0.653 nan 8.270 nan 0.000 0.457 209 G N 2.394 111.121 108.800 -0.122 0.000 2.446 209 G HA2 -0.165 3.793 3.960 -0.002 0.000 0.217 209 G HA3 -0.165 3.793 3.960 -0.002 0.000 0.217 209 G C -1.155 173.691 174.900 -0.090 0.000 1.168 209 G CA 0.718 45.747 45.100 -0.119 0.000 0.771 209 G HN 0.383 nan 8.290 nan 0.000 0.551 210 P HA 0.094 nan 4.420 nan 0.000 0.242 210 P C 1.709 179.019 177.300 0.016 0.000 1.197 210 P CA 0.013 63.117 63.100 0.008 0.000 0.765 210 P CB 0.223 31.901 31.700 -0.036 0.000 0.936 211 V N -1.091 118.764 119.914 -0.099 0.000 2.490 211 V HA -0.122 3.996 4.120 -0.002 0.000 0.250 211 V C 1.236 177.158 176.094 -0.286 0.000 1.061 211 V CA 1.325 63.514 62.300 -0.184 0.000 1.064 211 V CB -0.421 31.245 31.823 -0.260 0.000 0.670 211 V HN -0.043 nan 8.190 nan 0.000 0.461 212 V N 0.912 120.659 119.914 -0.278 0.000 2.435 212 V HA 0.297 4.416 4.120 -0.002 0.000 0.290 212 V C -0.281 175.676 176.094 -0.228 0.000 1.030 212 V CA -0.840 61.271 62.300 -0.315 0.000 0.881 212 V CB 1.671 33.289 31.823 -0.342 0.000 0.983 212 V HN 0.331 nan 8.190 nan 0.000 0.445 213 D N 4.009 124.167 120.400 -0.403 0.000 2.348 213 D HA 0.067 4.706 4.640 -0.002 0.000 0.259 213 D C 1.081 177.221 176.300 -0.267 0.000 1.296 213 D CA 0.530 54.159 54.000 -0.618 0.000 0.931 213 D CB 0.247 40.480 40.800 -0.944 0.000 1.067 213 D HN 0.574 nan 8.370 nan 0.000 0.503 214 N N 2.558 121.180 118.700 -0.130 0.000 2.120 214 N HA -0.186 4.553 4.740 -0.002 0.000 0.188 214 N C 1.523 177.013 175.510 -0.033 0.000 1.024 214 N CA 1.045 54.064 53.050 -0.051 0.000 0.852 214 N CB 0.145 38.653 38.487 0.036 0.000 1.003 214 N HN 0.502 nan 8.380 nan 0.000 0.424 215 A N 1.257 124.055 122.820 -0.036 0.000 1.902 215 A HA -0.007 4.312 4.320 -0.002 0.000 0.217 215 A C 2.316 179.874 177.584 -0.043 0.000 1.181 215 A CA 1.648 53.672 52.037 -0.022 0.000 0.623 215 A CB -0.619 18.375 19.000 -0.009 0.000 0.818 215 A HN 0.356 nan 8.150 nan 0.000 0.443 216 A N -0.565 122.202 122.820 -0.088 0.000 1.930 216 A HA 0.060 4.378 4.320 -0.002 0.000 0.217 216 A C 2.099 179.643 177.584 -0.066 0.000 1.175 216 A CA 1.606 53.593 52.037 -0.084 0.000 0.627 216 A CB -0.564 18.360 19.000 -0.127 0.000 0.815 216 A HN 0.659 nan 8.150 nan 0.000 0.443 217 L N -0.430 120.746 121.223 -0.079 0.000 1.976 217 L HA -0.133 4.206 4.340 -0.002 0.000 0.209 217 L C 2.215 179.071 176.870 -0.023 0.000 1.071 217 L CA 2.237 57.043 54.840 -0.057 0.000 0.746 217 L CB -0.929 41.086 42.059 -0.075 0.000 0.890 217 L HN 0.322 nan 8.230 nan 0.000 0.432 218 L N 0.364 121.583 121.223 -0.006 0.000 2.034 218 L HA -0.264 4.075 4.340 -0.002 0.000 0.217 218 L C 2.492 179.366 176.870 0.006 0.000 1.077 218 L CA 2.483 57.331 54.840 0.014 0.000 0.769 218 L CB -1.404 40.671 42.059 0.027 0.000 0.890 218 L HN 0.387 nan 8.230 nan 0.000 0.435 219 A N -1.093 121.724 122.820 -0.005 0.000 1.898 219 A HA -0.165 4.153 4.320 -0.002 0.000 0.216 219 A C 2.272 179.853 177.584 -0.004 0.000 1.181 219 A CA 1.412 53.447 52.037 -0.004 0.000 0.620 219 A CB -0.463 18.531 19.000 -0.010 0.000 0.819 219 A HN 0.440 nan 8.150 nan 0.000 0.442 220 R N -0.150 120.344 120.500 -0.010 0.000 2.081 220 R HA -0.016 4.322 4.340 -0.002 0.000 0.235 220 R C 2.079 178.379 176.300 -0.000 0.000 1.131 220 R CA 1.137 57.233 56.100 -0.008 0.000 0.960 220 R CB -1.263 29.028 30.300 -0.014 0.000 0.856 220 R HN 0.600 nan 8.270 nan 0.000 0.436 221 L N 0.976 122.201 121.223 0.004 0.000 2.012 221 L HA -0.207 4.132 4.340 -0.002 0.000 0.210 221 L C 1.930 178.809 176.870 0.014 0.000 1.073 221 L CA 1.297 56.144 54.840 0.012 0.000 0.748 221 L CB -0.518 41.553 42.059 0.020 0.000 0.891 221 L HN 0.168 nan 8.230 nan 0.000 0.431 222 N N 0.096 118.804 118.700 0.013 0.000 2.309 222 N HA -0.108 4.631 4.740 -0.002 0.000 0.182 222 N C 1.590 177.106 175.510 0.009 0.000 1.018 222 N CA 1.290 54.347 53.050 0.013 0.000 0.876 222 N CB -0.123 38.371 38.487 0.012 0.000 0.972 222 N HN 0.290 nan 8.380 nan 0.000 0.434 223 A N -0.376 122.447 122.820 0.006 0.000 2.238 223 A HA 0.378 4.696 4.320 -0.002 0.000 0.208 223 A C 1.389 178.976 177.584 0.006 0.000 1.177 223 A CA 0.810 52.850 52.037 0.005 0.000 0.804 223 A CB -0.329 18.672 19.000 0.002 0.000 0.823 223 A HN 0.299 nan 8.150 nan 0.000 0.482 224 G N -1.023 107.782 108.800 0.008 0.000 2.132 224 G HA2 -0.264 3.695 3.960 -0.002 0.000 0.234 224 G HA3 -0.264 3.695 3.960 -0.002 0.000 0.234 224 G C 0.082 174.986 174.900 0.007 0.000 0.989 224 G CA 0.244 45.349 45.100 0.009 0.000 0.676 224 G HN 0.759 nan 8.290 nan 0.000 0.522 225 Q N 1.104 120.907 119.800 0.005 0.000 2.247 225 Q HA 0.303 4.641 4.340 -0.002 0.000 0.288 225 Q C -1.782 174.221 176.000 0.004 0.000 1.079 225 Q CA -1.094 54.711 55.803 0.002 0.000 0.932 225 Q CB 0.519 29.257 28.738 -0.001 0.000 1.133 225 Q HN 0.245 nan 8.270 nan 0.000 0.377 226 P HA 0.034 nan 4.420 nan 0.000 0.266 226 P C -1.294 176.006 177.300 -0.000 0.000 1.419 226 P CA 0.161 63.263 63.100 0.003 0.000 1.112 226 P CB 0.066 31.765 31.700 -0.001 0.000 1.438 227 L N 2.492 123.719 121.223 0.007 0.000 2.526 227 L HA 0.408 4.746 4.340 -0.002 0.000 0.263 227 L C -0.829 176.052 176.870 0.018 0.000 0.943 227 L CA -0.258 54.585 54.840 0.006 0.000 0.859 227 L CB 2.299 44.361 42.059 0.004 0.000 1.313 227 L HN -0.004 nan 8.230 nan 0.000 0.406 228 S N 2.939 118.652 115.700 0.022 0.000 2.525 228 S HA 0.901 5.369 4.470 -0.002 0.000 0.290 228 S C -0.856 173.764 174.600 0.034 0.000 1.152 228 S CA -0.586 57.639 58.200 0.040 0.000 1.072 228 S CB 1.809 65.049 63.200 0.067 0.000 1.027 228 S HN 0.437 nan 8.310 nan 0.000 0.500 229 V N 2.746 122.683 119.914 0.038 0.000 2.709 229 V HA 0.527 4.645 4.120 -0.002 0.000 0.308 229 V C -0.829 175.285 176.094 0.032 0.000 1.062 229 V CA -0.700 61.614 62.300 0.024 0.000 0.901 229 V CB 1.998 33.825 31.823 0.006 0.000 1.003 229 V HN 0.655 nan 8.190 nan 0.000 0.425 230 V N 5.970 125.898 119.914 0.023 0.000 2.407 230 V HA 0.532 4.650 4.120 -0.002 0.000 0.291 230 V C -0.502 175.588 176.094 -0.007 0.000 1.018 230 V CA -0.357 61.970 62.300 0.046 0.000 0.842 230 V CB 1.623 33.492 31.823 0.077 0.000 0.996 230 V HN 0.649 nan 8.190 nan 0.000 0.426 231 L N 3.714 124.894 121.223 -0.072 0.000 2.341 231 L HA 0.557 4.896 4.340 -0.002 0.000 0.278 231 L C 0.402 177.160 176.870 -0.186 0.000 1.005 231 L CA -0.353 54.286 54.840 -0.336 0.000 0.818 231 L CB 2.176 43.665 42.059 -0.951 0.000 1.259 231 L HN 0.598 nan 8.230 nan 0.000 0.418 232 D N 1.381 121.651 120.400 -0.217 0.000 2.449 232 D HA 0.104 4.743 4.640 -0.002 0.000 0.210 232 D C -0.251 175.923 176.300 -0.210 0.000 1.094 232 D CA 0.242 54.174 54.000 -0.114 0.000 0.846 232 D CB 0.924 41.529 40.800 -0.325 0.000 1.003 232 D HN 0.200 nan 8.370 nan 0.000 0.504 233 V N -2.000 117.605 119.914 -0.514 0.000 2.789 233 V HA 0.790 4.909 4.120 -0.002 0.000 0.311 233 V C -1.439 174.309 176.094 -0.577 0.000 1.073 233 V CA -0.940 61.111 62.300 -0.414 0.000 0.921 233 V CB 1.217 32.764 31.823 -0.460 0.000 1.009 233 V HN -0.003 nan 8.190 nan 0.000 0.426 234 W N 0.457 121.735 121.300 -0.037 0.000 2.819 234 W HA 0.644 5.303 4.660 -0.003 0.000 0.337 234 W C 0.076 176.560 176.519 -0.059 0.000 1.077 234 W CA -0.486 56.836 57.345 -0.039 0.000 1.226 234 W CB 1.453 30.892 29.460 -0.035 0.000 1.419 234 W HN 0.639 nan 8.180 nan 0.000 0.502 235 E N 0.768 121.056 120.200 0.146 0.000 2.384 235 E HA 0.344 4.692 4.350 -0.002 0.000 0.266 235 E C 0.961 177.607 176.600 0.077 0.000 1.012 235 E CA 1.121 57.573 56.400 0.086 0.000 0.901 235 E CB 0.739 30.490 29.700 0.085 0.000 0.967 235 E HN 0.842 nan 8.360 nan 0.000 0.435 236 G N 2.977 111.793 108.800 0.026 0.000 2.179 236 G HA2 -0.327 3.632 3.960 -0.002 0.000 0.260 236 G HA3 -0.327 3.632 3.960 -0.002 0.000 0.260 236 G C 0.072 174.921 174.900 -0.085 0.000 0.977 236 G CA 0.127 45.216 45.100 -0.018 0.000 0.641 236 G HN 0.615 nan 8.290 nan 0.000 0.533 237 E N 1.003 121.144 120.200 -0.099 0.000 2.708 237 E HA 0.095 4.443 4.350 -0.002 0.000 0.260 237 E C -0.482 175.993 176.600 -0.208 0.000 0.937 237 E CA -0.127 56.107 56.400 -0.277 0.000 0.953 237 E CB 0.880 30.504 29.700 -0.126 0.000 0.915 237 E HN 0.323 nan 8.360 nan 0.000 0.487 238 P HA -0.070 nan 4.420 nan 0.000 0.233 238 P C -0.525 176.457 177.300 -0.530 0.000 1.167 238 P CA 0.796 63.544 63.100 -0.586 0.000 0.770 238 P CB 0.378 31.943 31.700 -0.225 0.000 0.837 239 D N 1.913 122.138 120.400 -0.291 0.000 2.631 239 D HA 0.163 4.801 4.640 -0.002 0.000 0.227 239 D C 0.769 176.954 176.300 -0.191 0.000 1.146 239 D CA -0.286 53.590 54.000 -0.205 0.000 1.009 239 D CB 0.403 41.136 40.800 -0.112 0.000 1.057 239 D HN 0.152 nan 8.370 nan 0.000 0.509 240 L N -0.801 120.248 121.223 -0.290 0.000 2.473 240 L HA 0.175 4.514 4.340 -0.002 0.000 0.265 240 L C 0.631 177.435 176.870 -0.109 0.000 1.243 240 L CA -0.411 54.303 54.840 -0.209 0.000 0.822 240 L CB 0.134 41.870 42.059 -0.538 0.000 1.101 240 L HN -0.094 nan 8.230 nan 0.000 0.507 241 N N 0.281 118.991 118.700 0.018 0.000 2.399 241 N HA 0.088 4.827 4.740 -0.002 0.000 0.259 241 N C 0.631 176.141 175.510 0.001 0.000 1.160 241 N CA -0.023 53.049 53.050 0.038 0.000 0.946 241 N CB 1.182 39.737 38.487 0.112 0.000 1.156 241 N HN 0.613 nan 8.380 nan 0.000 0.489 242 V N 3.830 123.719 119.914 -0.041 0.000 2.453 242 V HA -0.150 3.969 4.120 -0.002 0.000 0.247 242 V C 2.287 178.381 176.094 0.000 0.000 1.048 242 V CA 1.884 64.150 62.300 -0.057 0.000 1.049 242 V CB -0.814 30.977 31.823 -0.054 0.000 0.672 242 V HN 0.754 nan 8.190 nan 0.000 0.457 243 A N 0.163 122.995 122.820 0.020 0.000 1.908 243 A HA -0.221 4.097 4.320 -0.002 0.000 0.218 243 A C 2.159 179.784 177.584 0.070 0.000 1.181 243 A CA 2.129 54.188 52.037 0.037 0.000 0.627 243 A CB -0.570 18.448 19.000 0.031 0.000 0.818 243 A HN 0.461 nan 8.150 nan 0.000 0.445 244 L N -0.753 120.533 121.223 0.105 0.000 2.131 244 L HA -0.088 4.250 4.340 -0.002 0.000 0.210 244 L C 2.158 179.176 176.870 0.246 0.000 1.092 244 L CA 1.917 56.860 54.840 0.173 0.000 0.759 244 L CB -0.578 41.624 42.059 0.238 0.000 0.903 244 L HN 0.371 nan 8.230 nan 0.000 0.435 245 L N -0.472 120.881 121.223 0.218 0.000 2.093 245 L HA -0.116 4.222 4.340 -0.002 0.000 0.208 245 L C 2.298 179.260 176.870 0.154 0.000 1.085 245 L CA 1.648 56.620 54.840 0.219 0.000 0.755 245 L CB -0.802 41.225 42.059 -0.053 0.000 0.904 245 L HN 0.331 nan 8.230 nan 0.000 0.435 246 E N 0.001 120.258 120.200 0.095 0.000 2.208 246 E HA -0.059 4.289 4.350 -0.002 0.000 0.193 246 E C 1.999 178.646 176.600 0.078 0.000 0.988 246 E CA 1.076 57.519 56.400 0.071 0.000 0.828 246 E CB -0.238 29.489 29.700 0.047 0.000 0.763 246 E HN 0.646 nan 8.360 nan 0.000 0.478 247 A N 1.446 124.320 122.820 0.091 0.000 2.195 247 A HA 0.094 4.413 4.320 -0.002 0.000 0.210 247 A C 1.378 179.013 177.584 0.085 0.000 1.165 247 A CA 0.117 52.200 52.037 0.076 0.000 0.806 247 A CB -0.046 18.992 19.000 0.064 0.000 0.847 247 A HN 0.115 nan 8.150 nan 0.000 0.482 248 V N -1.987 118.000 119.914 0.121 0.000 2.785 248 V HA 0.370 4.489 4.120 -0.002 0.000 0.300 248 V C 0.357 176.516 176.094 0.108 0.000 1.062 248 V CA 0.102 62.472 62.300 0.116 0.000 1.029 248 V CB 1.028 32.941 31.823 0.149 0.000 1.024 248 V HN 0.326 nan 8.190 nan 0.000 0.477 249 D N 2.062 122.514 120.400 0.087 0.000 2.194 249 D HA 0.191 4.830 4.640 -0.002 0.000 0.204 249 D C 0.174 176.526 176.300 0.086 0.000 0.964 249 D CA 1.256 55.303 54.000 0.079 0.000 0.846 249 D CB 0.112 40.953 40.800 0.069 0.000 0.962 249 D HN 0.427 nan 8.370 nan 0.000 0.490 250 I N 0.483 121.116 120.570 0.105 0.000 2.534 250 I HA 0.418 4.586 4.170 -0.002 0.000 0.286 250 I C -0.186 176.057 176.117 0.210 0.000 1.094 250 I CA -0.414 60.961 61.300 0.125 0.000 1.055 250 I CB 1.665 39.704 38.000 0.066 0.000 1.225 250 I HN -0.140 nan 8.210 nan 0.000 0.435 251 G N 3.960 112.945 108.800 0.309 0.000 2.542 251 G HA2 0.821 4.780 3.960 -0.002 0.000 0.311 251 G HA3 0.821 4.780 3.960 -0.002 0.000 0.311 251 G C -0.749 174.438 174.900 0.479 0.000 1.298 251 G CA -0.413 45.030 45.100 0.571 0.000 0.973 251 G HN 0.594 nan 8.290 nan 0.000 0.487 252 T N -2.183 112.710 114.554 0.565 0.000 2.816 252 T HA 0.581 4.929 4.350 -0.002 0.000 0.299 252 T C 0.241 175.172 174.700 0.385 0.000 1.230 252 T CA -0.418 61.906 62.100 0.374 0.000 1.007 252 T CB 1.519 70.618 68.868 0.385 0.000 1.289 252 T HN 0.972 nan 8.240 nan 0.000 0.508 253 S N 0.277 116.000 115.700 0.039 0.000 3.548 253 S HA 0.240 4.709 4.470 -0.002 0.000 0.195 253 S C 0.361 174.844 174.600 -0.195 0.000 1.432 253 S CA -0.304 57.668 58.200 -0.380 0.000 1.087 253 S CB -1.463 61.136 63.200 -1.002 0.000 1.337 253 S HN 1.184 nan 8.310 nan 0.000 0.505 254 H N 0.557 119.624 119.070 -0.004 0.000 2.692 254 H HA -0.164 4.390 4.556 -0.002 0.000 0.316 254 H C 0.081 175.107 175.328 -0.503 0.000 1.176 254 H CA 0.702 56.675 56.048 -0.124 0.000 1.142 254 H CB -1.216 28.602 29.762 0.094 0.000 1.475 254 H HN 0.777 nan 8.280 nan 0.000 0.423 255 I N -2.986 117.326 120.570 -0.430 0.000 4.009 255 I HA 0.444 4.612 4.170 -0.002 0.000 0.331 255 I C 1.766 177.495 176.117 -0.646 0.000 1.462 255 I CA 0.456 61.217 61.300 -0.898 0.000 1.117 255 I CB 0.093 37.521 38.000 -0.954 0.000 1.091 255 I HN 0.250 nan 8.210 nan 0.000 0.410 256 A N 1.573 124.076 122.820 -0.529 0.000 1.972 256 A HA 0.136 4.455 4.320 -0.002 0.000 0.219 256 A C 2.221 179.637 177.584 -0.279 0.000 1.169 256 A CA 1.476 53.169 52.037 -0.573 0.000 0.635 256 A CB -1.261 17.124 19.000 -1.024 0.000 0.810 256 A HN 0.527 nan 8.150 nan 0.000 0.446 257 G N -2.563 106.103 108.800 -0.223 0.000 2.848 257 G HA2 0.125 4.084 3.960 -0.002 0.000 0.208 257 G HA3 0.125 4.084 3.960 -0.002 0.000 0.208 257 G C 0.084 175.039 174.900 0.092 0.000 1.152 257 G CA -0.018 45.052 45.100 -0.050 0.000 0.789 257 G HN 0.368 nan 8.290 nan 0.000 0.531 258 Y N 2.667 122.844 120.300 -0.206 0.000 2.691 258 Y HA 0.342 4.891 4.550 -0.002 0.000 0.338 258 Y C 0.921 176.781 175.900 -0.067 0.000 1.148 258 Y CA -1.370 56.624 58.100 -0.177 0.000 1.430 258 Y CB -0.458 37.756 38.460 -0.410 0.000 1.303 258 Y HN 0.048 nan 8.280 nan 0.000 0.499 259 T N -1.966 112.640 114.554 0.086 0.000 2.950 259 T HA 0.360 4.709 4.350 -0.002 0.000 0.288 259 T C 1.055 175.787 174.700 0.052 0.000 1.035 259 T CA -0.855 61.280 62.100 0.059 0.000 1.028 259 T CB 1.888 70.759 68.868 0.004 0.000 1.109 259 T HN 0.239 nan 8.240 nan 0.000 0.514 260 L N 0.927 122.186 121.223 0.058 0.000 1.990 260 L HA -0.050 4.288 4.340 -0.002 0.000 0.213 260 L C 2.618 179.526 176.870 0.064 0.000 1.072 260 L CA 1.974 56.849 54.840 0.059 0.000 0.755 260 L CB -1.018 41.083 42.059 0.069 0.000 0.889 260 L HN 0.823 nan 8.230 nan 0.000 0.432 261 E N -0.735 119.493 120.200 0.047 0.000 2.130 261 E HA -0.199 4.149 4.350 -0.002 0.000 0.196 261 E C 2.129 178.747 176.600 0.031 0.000 0.998 261 E CA 1.288 57.707 56.400 0.032 0.000 0.806 261 E CB -0.808 28.899 29.700 0.011 0.000 0.738 261 E HN 0.582 nan 8.360 nan 0.000 0.459 262 G N 0.812 109.627 108.800 0.025 0.000 2.421 262 G HA2 -0.312 3.647 3.960 -0.002 0.000 0.216 262 G HA3 -0.312 3.647 3.960 -0.002 0.000 0.216 262 G C 1.363 176.284 174.900 0.034 0.000 1.171 262 G CA 0.955 46.071 45.100 0.026 0.000 0.775 262 G HN 0.194 nan 8.290 nan 0.000 0.543 263 K N 0.525 120.942 120.400 0.028 0.000 2.097 263 K HA 0.097 4.416 4.320 -0.002 0.000 0.205 263 K C 2.872 179.521 176.600 0.082 0.000 1.050 263 K CA 0.902 57.204 56.287 0.025 0.000 0.938 263 K CB -0.166 32.324 32.500 -0.017 0.000 0.718 263 K HN 0.271 nan 8.250 nan 0.000 0.442 264 A N 1.256 124.148 122.820 0.120 0.000 2.015 264 A HA -0.103 4.215 4.320 -0.002 0.000 0.219 264 A C 1.987 179.627 177.584 0.093 0.000 1.163 264 A CA 1.009 53.148 52.037 0.170 0.000 0.646 264 A CB -0.235 18.854 19.000 0.149 0.000 0.806 264 A HN 0.162 nan 8.150 nan 0.000 0.448 265 R N -0.843 119.695 120.500 0.063 0.000 2.153 265 R HA -0.036 4.303 4.340 -0.002 0.000 0.218 265 R C 2.342 178.686 176.300 0.073 0.000 1.072 265 R CA 0.790 56.921 56.100 0.051 0.000 0.990 265 R CB -0.432 29.889 30.300 0.035 0.000 0.889 265 R HN 0.530 nan 8.270 nan 0.000 0.452 266 G N -0.138 108.710 108.800 0.079 0.000 2.491 266 G HA2 -0.289 3.669 3.960 -0.002 0.000 0.218 266 G HA3 -0.289 3.669 3.960 -0.002 0.000 0.218 266 G C 1.291 176.269 174.900 0.131 0.000 1.180 266 G CA 1.496 46.651 45.100 0.092 0.000 0.774 266 G HN 0.277 nan 8.290 nan 0.000 0.562 267 T N 0.333 114.980 114.554 0.155 0.000 2.857 267 T HA -0.038 4.310 4.350 -0.002 0.000 0.266 267 T C 2.606 177.433 174.700 0.212 0.000 1.048 267 T CA 1.575 63.810 62.100 0.226 0.000 1.139 267 T CB -0.356 68.656 68.868 0.240 0.000 0.874 267 T HN 0.259 nan 8.240 nan 0.000 0.455 268 T N 2.405 117.037 114.554 0.129 0.000 2.708 268 T HA -0.106 4.242 4.350 -0.002 0.000 0.266 268 T C 2.194 176.982 174.700 0.147 0.000 1.037 268 T CA 1.200 63.355 62.100 0.092 0.000 1.146 268 T CB -0.240 68.645 68.868 0.028 0.000 0.865 268 T HN 0.482 nan 8.240 nan 0.000 0.435 269 Q N 0.209 120.083 119.800 0.122 0.000 2.046 269 Q HA -0.043 4.296 4.340 -0.002 0.000 0.200 269 Q C 2.551 178.633 176.000 0.136 0.000 0.975 269 Q CA 1.088 56.956 55.803 0.107 0.000 0.836 269 Q CB -0.405 28.378 28.738 0.075 0.000 0.896 269 Q HN 0.314 nan 8.270 nan 0.000 0.428 270 V N 0.898 120.921 119.914 0.181 0.000 2.392 270 V HA -0.255 3.863 4.120 -0.002 0.000 0.249 270 V C 1.934 178.217 176.094 0.314 0.000 1.059 270 V CA 1.781 64.237 62.300 0.260 0.000 1.051 270 V CB -0.608 31.395 31.823 0.301 0.000 0.658 270 V HN 0.316 nan 8.190 nan 0.000 0.455 271 F N 1.330 121.316 119.950 0.061 0.000 2.102 271 F HA -0.203 4.323 4.527 -0.002 0.000 0.298 271 F C 2.338 178.073 175.800 -0.109 0.000 1.105 271 F CA 2.250 60.096 58.000 -0.256 0.000 1.239 271 F CB -0.168 38.557 39.000 -0.458 0.000 0.991 271 F HN 0.195 nan 8.300 nan 0.000 0.474 272 E N 0.074 120.270 120.200 -0.007 0.000 2.106 272 E HA -0.132 4.216 4.350 -0.002 0.000 0.192 272 E C 2.330 178.863 176.600 -0.113 0.000 0.984 272 E CA 0.980 57.323 56.400 -0.095 0.000 0.806 272 E CB -0.372 29.355 29.700 0.046 0.000 0.750 272 E HN 0.500 nan 8.360 nan 0.000 0.458 273 A N 0.469 123.288 122.820 -0.003 0.000 1.898 273 A HA -0.203 4.116 4.320 -0.002 0.000 0.216 273 A C 2.017 179.588 177.584 -0.022 0.000 1.181 273 A CA 1.221 53.295 52.037 0.063 0.000 0.620 273 A CB -0.679 18.434 19.000 0.188 0.000 0.819 273 A HN 0.362 nan 8.150 nan 0.000 0.442 274 Y N 1.819 121.928 120.300 -0.318 0.000 2.242 274 Y HA -0.191 4.357 4.550 -0.003 0.000 0.291 274 Y C 2.952 178.608 175.900 -0.407 0.000 1.137 274 Y CA 1.393 59.122 58.100 -0.618 0.000 1.181 274 Y CB -0.530 37.628 38.460 -0.503 0.000 0.989 274 Y HN 0.448 nan 8.280 nan 0.000 0.527 275 S N -0.074 115.282 115.700 -0.574 0.000 2.382 275 S HA -0.176 4.293 4.470 -0.002 0.000 0.228 275 S C 2.242 176.619 174.600 -0.372 0.000 1.027 275 S CA 1.040 58.877 58.200 -0.604 0.000 0.991 275 S CB -0.974 61.779 63.200 -0.744 0.000 0.823 275 S HN 0.441 nan 8.310 nan 0.000 0.469 276 A N 0.899 123.575 122.820 -0.240 0.000 1.930 276 A HA 0.131 4.450 4.320 -0.002 0.000 0.217 276 A C 1.944 179.471 177.584 -0.096 0.000 1.175 276 A CA 1.213 53.174 52.037 -0.126 0.000 0.627 276 A CB -1.088 17.887 19.000 -0.042 0.000 0.815 276 A HN 0.590 nan 8.150 nan 0.000 0.443 277 F N 1.393 121.187 119.950 -0.260 0.000 2.161 277 F HA -0.103 4.423 4.527 -0.003 0.000 0.300 277 F C 1.515 177.161 175.800 -0.257 0.000 1.089 277 F CA 1.638 59.519 58.000 -0.199 0.000 1.282 277 F CB -0.055 38.826 39.000 -0.198 0.000 1.010 277 F HN 0.312 nan 8.300 nan 0.000 0.485 278 I N -2.328 117.986 120.570 -0.426 0.000 3.874 278 I HA 0.456 4.624 4.170 -0.002 0.000 0.331 278 I C 1.122 177.056 176.117 -0.305 0.000 1.489 278 I CA 0.448 61.488 61.300 -0.434 0.000 1.187 278 I CB -0.590 37.129 38.000 -0.469 0.000 1.150 278 I HN 0.232 nan 8.210 nan 0.000 0.412 279 G N 2.334 110.980 108.800 -0.258 0.000 2.160 279 G HA2 -0.290 3.669 3.960 -0.002 0.000 0.251 279 G HA3 -0.290 3.669 3.960 -0.002 0.000 0.251 279 G C 0.439 175.246 174.900 -0.154 0.000 1.008 279 G CA -0.035 44.957 45.100 -0.181 0.000 0.724 279 G HN 0.618 nan 8.290 nan 0.000 0.514 280 R N 0.027 120.418 120.500 -0.182 0.000 2.688 280 R HA 0.116 4.454 4.340 -0.002 0.000 0.396 280 R C 0.030 176.234 176.300 -0.159 0.000 1.081 280 R CA -0.641 55.366 56.100 -0.155 0.000 1.093 280 R CB 0.437 30.636 30.300 -0.168 0.000 1.338 280 R HN 0.437 nan 8.270 nan 0.000 0.613 281 E N 2.119 122.238 120.200 -0.135 0.000 2.966 281 E HA -0.156 4.192 4.350 -0.002 0.000 0.254 281 E C -0.399 176.150 176.600 -0.086 0.000 0.923 281 E CA 1.331 57.662 56.400 -0.116 0.000 0.960 281 E CB 0.515 30.172 29.700 -0.072 0.000 0.901 281 E HN 0.294 nan 8.360 nan 0.000 0.525 282 Q N 2.425 122.173 119.800 -0.087 0.000 2.379 282 Q HA 0.446 4.785 4.340 -0.002 0.000 0.278 282 Q C -0.505 175.541 176.000 0.078 0.000 1.068 282 Q CA -0.686 55.125 55.803 0.013 0.000 0.816 282 Q CB 2.799 31.590 28.738 0.088 0.000 1.387 282 Q HN 0.322 nan 8.270 nan 0.000 0.413 283 R N 0.423 120.974 120.500 0.085 0.000 2.856 283 R HA 0.788 5.127 4.340 -0.002 0.000 0.258 283 R C -1.289 175.055 176.300 0.072 0.000 1.066 283 R CA -0.684 55.466 56.100 0.082 0.000 1.045 283 R CB 1.799 32.121 30.300 0.037 0.000 1.178 283 R HN 0.376 nan 8.270 nan 0.000 0.499 284 V N 1.704 121.633 119.914 0.026 0.000 2.569 284 V HA 0.343 4.461 4.120 -0.002 0.000 0.301 284 V C -0.437 175.617 176.094 -0.065 0.000 1.044 284 V CA -1.162 61.104 62.300 -0.056 0.000 0.874 284 V CB 1.606 33.335 31.823 -0.157 0.000 1.002 284 V HN 0.977 nan 8.190 nan 0.000 0.424 285 A N 3.947 126.726 122.820 -0.069 0.000 2.553 285 A HA 0.205 4.523 4.320 -0.002 0.000 0.258 285 A C 1.078 178.601 177.584 -0.102 0.000 1.069 285 A CA 0.154 52.151 52.037 -0.066 0.000 0.767 285 A CB -0.060 18.904 19.000 -0.060 0.000 0.997 285 A HN 0.979 nan 8.150 nan 0.000 0.512 286 L N 2.622 123.795 121.223 -0.083 0.000 2.093 286 L HA -0.119 4.220 4.340 -0.002 0.000 0.208 286 L C 2.463 179.263 176.870 -0.118 0.000 1.085 286 L CA 2.495 57.270 54.840 -0.108 0.000 0.755 286 L CB -0.511 41.511 42.059 -0.062 0.000 0.904 286 L HN 0.836 nan 8.230 nan 0.000 0.435 287 E N -1.269 118.887 120.200 -0.073 0.000 2.338 287 E HA -0.183 4.165 4.350 -0.002 0.000 0.197 287 E C 1.712 178.263 176.600 -0.080 0.000 1.007 287 E CA 1.336 57.701 56.400 -0.058 0.000 0.849 287 E CB -0.962 28.726 29.700 -0.021 0.000 0.774 287 E HN 0.677 nan 8.360 nan 0.000 0.506 288 T N -0.696 113.794 114.554 -0.107 0.000 2.995 288 T HA 0.026 4.375 4.350 -0.002 0.000 0.269 288 T C 2.056 176.659 174.700 -0.162 0.000 1.091 288 T CA 0.504 62.537 62.100 -0.113 0.000 1.128 288 T CB -0.257 68.545 68.868 -0.111 0.000 0.891 288 T HN 0.140 nan 8.240 nan 0.000 0.492 289 L N -0.234 120.828 121.223 -0.269 0.000 2.221 289 L HA 0.388 4.726 4.340 -0.002 0.000 0.202 289 L C 0.947 177.614 176.870 -0.338 0.000 1.074 289 L CA 0.095 54.635 54.840 -0.500 0.000 0.795 289 L CB -0.360 41.109 42.059 -0.982 0.000 0.960 289 L HN 0.178 nan 8.230 nan 0.000 0.458 290 L N 2.589 123.694 121.223 -0.197 0.000 2.410 290 L HA 0.187 4.526 4.340 -0.002 0.000 0.273 290 L C -1.754 175.129 176.870 0.022 0.000 1.152 290 L CA -1.801 53.026 54.840 -0.021 0.000 0.855 290 L CB -0.190 41.862 42.059 -0.011 0.000 1.129 290 L HN -0.030 nan 8.230 nan 0.000 0.463 291 P HA 0.071 nan 4.420 nan 0.000 0.267 291 P C -0.488 176.828 177.300 0.027 0.000 1.200 291 P CA -0.455 62.671 63.100 0.044 0.000 0.772 291 P CB 0.686 32.417 31.700 0.052 0.000 0.855 292 A N 4.775 127.603 122.820 0.013 0.000 2.531 292 A HA 0.314 4.632 4.320 -0.002 0.000 0.236 292 A C -1.450 176.139 177.584 0.009 0.000 1.062 292 A CA -0.675 51.368 52.037 0.010 0.000 0.760 292 A CB -1.282 17.717 19.000 -0.003 0.000 0.995 292 A HN 0.508 nan 8.150 nan 0.000 0.501 293 P HA 0.228 nan 4.420 nan 0.000 0.276 293 P C 0.290 177.562 177.300 -0.048 0.000 1.261 293 P CA -0.350 62.760 63.100 0.017 0.000 0.800 293 P CB 0.743 32.488 31.700 0.076 0.000 1.066 294 E N -0.565 119.557 120.200 -0.131 0.000 2.049 294 E HA -0.129 4.219 4.350 -0.002 0.000 0.198 294 E C -0.089 176.209 176.600 -0.502 0.000 1.007 294 E CA 1.413 57.588 56.400 -0.376 0.000 0.809 294 E CB -0.280 29.085 29.700 -0.558 0.000 0.749 294 E HN 0.387 nan 8.360 nan 0.000 0.450 295 F N -0.579 119.413 119.950 0.070 0.000 2.375 295 F HA 0.370 4.897 4.527 -0.001 0.000 0.361 295 F C 1.001 176.856 175.800 0.091 0.000 1.117 295 F CA -0.624 57.420 58.000 0.074 0.000 1.037 295 F CB 1.834 40.882 39.000 0.081 0.000 1.192 295 F HN -0.109 nan 8.300 nan 0.000 0.452 296 G N 2.696 111.632 108.800 0.227 0.000 2.673 296 G HA2 0.189 4.147 3.960 -0.002 0.000 0.208 296 G HA3 0.189 4.147 3.960 -0.002 0.000 0.208 296 G C 0.428 175.454 174.900 0.211 0.000 1.128 296 G CA -0.043 45.163 45.100 0.176 0.000 0.805 296 G HN 0.409 nan 8.290 nan 0.000 0.526 297 R N -0.740 119.882 120.500 0.203 0.000 2.651 297 R HA 0.729 5.068 4.340 -0.002 0.000 0.278 297 R C -1.846 174.551 176.300 0.162 0.000 1.010 297 R CA -0.552 55.678 56.100 0.217 0.000 0.896 297 R CB 2.632 33.027 30.300 0.159 0.000 1.211 297 R HN 0.159 nan 8.270 nan 0.000 0.456 298 I N 0.813 121.463 120.570 0.132 0.000 2.775 298 I HA 0.350 4.519 4.170 -0.002 0.000 0.295 298 I C -0.885 175.243 176.117 0.018 0.000 1.287 298 I CA -0.412 60.917 61.300 0.050 0.000 1.029 298 I CB 2.667 40.669 38.000 0.003 0.000 1.282 298 I HN 0.766 nan 8.210 nan 0.000 0.426 299 T N 4.425 118.977 114.554 -0.005 0.000 2.907 299 T HA 0.638 4.986 4.350 -0.002 0.000 0.284 299 T C -0.792 173.889 174.700 -0.031 0.000 1.004 299 T CA -0.634 61.456 62.100 -0.018 0.000 1.063 299 T CB 1.728 70.586 68.868 -0.017 0.000 0.992 299 T HN 0.417 nan 8.240 nan 0.000 0.483 300 L N 2.371 123.576 121.223 -0.029 0.000 2.376 300 L HA 0.521 4.860 4.340 -0.002 0.000 0.275 300 L C -0.884 176.002 176.870 0.027 0.000 0.987 300 L CA -0.718 54.102 54.840 -0.033 0.000 0.828 300 L CB 1.506 43.506 42.059 -0.098 0.000 1.249 300 L HN 0.980 nan 8.230 nan 0.000 0.409 301 H N 4.907 123.948 119.070 -0.049 0.000 2.517 301 H HA 0.731 5.285 4.556 -0.003 0.000 0.317 301 H C 0.259 175.564 175.328 -0.038 0.000 1.080 301 H CA 0.747 56.777 56.048 -0.031 0.000 1.301 301 H CB 0.951 30.697 29.762 -0.026 0.000 1.425 301 H HN 1.067 nan 8.280 nan 0.000 0.471 302 G N 4.143 112.648 108.800 -0.491 0.000 2.710 302 G HA2 -0.180 3.779 3.960 -0.002 0.000 0.668 302 G HA3 -0.180 3.779 3.960 -0.002 0.000 0.668 302 G C -2.733 172.052 174.900 -0.192 0.000 1.320 302 G CA -0.760 44.120 45.100 -0.367 0.000 0.860 302 G HN 0.692 nan 8.290 nan 0.000 0.538 303 P HA 0.375 nan 4.420 nan 0.000 0.270 303 P C 0.004 177.234 177.300 -0.116 0.000 1.223 303 P CA -0.380 62.648 63.100 -0.120 0.000 0.785 303 P CB 0.721 32.363 31.700 -0.097 0.000 0.923 304 L N 3.007 124.161 121.223 -0.116 0.000 2.319 304 L HA 0.267 4.605 4.340 -0.002 0.000 0.280 304 L C 0.110 176.921 176.870 -0.099 0.000 1.099 304 L CA 0.395 55.159 54.840 -0.126 0.000 0.828 304 L CB -0.320 41.654 42.059 -0.141 0.000 1.150 304 L HN 0.379 nan 8.230 nan 0.000 0.442 305 D N 1.482 121.823 120.400 -0.098 0.000 2.654 305 D HA 0.181 4.819 4.640 -0.002 0.000 0.255 305 D C 0.461 176.712 176.300 -0.083 0.000 1.101 305 D CA -0.558 53.397 54.000 -0.075 0.000 1.116 305 D CB 0.474 41.236 40.800 -0.063 0.000 1.348 305 D HN 0.518 nan 8.370 nan 0.000 0.609 306 Q N -0.628 119.134 119.800 -0.064 0.000 2.045 306 Q HA -0.108 4.230 4.340 -0.002 0.000 0.206 306 Q C -0.886 175.052 176.000 -0.103 0.000 0.991 306 Q CA 2.143 57.905 55.803 -0.069 0.000 0.851 306 Q CB -0.970 27.735 28.738 -0.055 0.000 0.911 306 Q HN 0.384 nan 8.270 nan 0.000 0.418 307 P HA -0.066 nan 4.420 nan 0.000 0.219 307 P C 0.995 178.216 177.300 -0.132 0.000 1.150 307 P CA 1.415 64.446 63.100 -0.114 0.000 0.814 307 P CB -0.140 31.506 31.700 -0.089 0.000 0.787 308 T N 0.462 114.938 114.554 -0.130 0.000 2.708 308 T HA -0.135 4.214 4.350 -0.002 0.000 0.266 308 T C 1.698 176.270 174.700 -0.214 0.000 1.037 308 T CA 1.053 63.060 62.100 -0.156 0.000 1.146 308 T CB -0.990 67.791 68.868 -0.145 0.000 0.865 308 T HN 0.001 nan 8.240 nan 0.000 0.435 309 L N 1.680 122.774 121.223 -0.215 0.000 2.042 309 L HA -0.048 4.291 4.340 -0.002 0.000 0.210 309 L C 2.360 179.072 176.870 -0.262 0.000 1.076 309 L CA 1.899 56.579 54.840 -0.268 0.000 0.749 309 L CB -0.610 41.336 42.059 -0.188 0.000 0.893 309 L HN 0.102 nan 8.230 nan 0.000 0.432 310 K N -0.453 119.809 120.400 -0.229 0.000 2.032 310 K HA -0.233 4.085 4.320 -0.002 0.000 0.209 310 K C 2.238 178.655 176.600 -0.304 0.000 1.048 310 K CA 1.848 57.941 56.287 -0.323 0.000 0.927 310 K CB -0.129 32.181 32.500 -0.317 0.000 0.712 310 K HN 0.346 nan 8.250 nan 0.000 0.441 311 R N 0.503 120.880 120.500 -0.204 0.000 2.105 311 R HA -0.107 4.231 4.340 -0.002 0.000 0.239 311 R C 2.510 178.731 176.300 -0.131 0.000 1.135 311 R CA 1.485 57.504 56.100 -0.135 0.000 0.967 311 R CB -0.399 29.826 30.300 -0.126 0.000 0.861 311 R HN 0.220 nan 8.270 nan 0.000 0.442 312 L N 0.103 121.193 121.223 -0.221 0.000 1.994 312 L HA -0.174 4.164 4.340 -0.002 0.000 0.208 312 L C 2.722 179.535 176.870 -0.096 0.000 1.071 312 L CA 1.416 56.095 54.840 -0.268 0.000 0.745 312 L CB -0.627 41.058 42.059 -0.624 0.000 0.892 312 L HN 0.268 nan 8.230 nan 0.000 0.431 313 A N -1.081 121.668 122.820 -0.119 0.000 1.902 313 A HA -0.245 4.074 4.320 -0.002 0.000 0.217 313 A C 2.029 179.832 177.584 0.365 0.000 1.181 313 A CA 1.589 53.664 52.037 0.063 0.000 0.623 313 A CB -0.970 18.092 19.000 0.103 0.000 0.818 313 A HN 0.523 nan 8.150 nan 0.000 0.443 314 H N -1.824 117.298 119.070 0.087 0.000 2.529 314 H HA 0.006 4.561 4.556 -0.002 0.000 0.277 314 H C 1.943 177.316 175.328 0.075 0.000 0.999 314 H CA 0.631 56.721 56.048 0.070 0.000 1.256 314 H CB 0.153 29.917 29.762 0.005 0.000 1.402 314 H HN 0.429 nan 8.280 nan 0.000 0.566 315 L N 0.759 122.085 121.223 0.172 0.000 2.083 315 L HA -0.134 4.204 4.340 -0.002 0.000 0.209 315 L C 1.958 178.959 176.870 0.218 0.000 1.083 315 L CA 1.207 56.104 54.840 0.095 0.000 0.752 315 L CB -0.337 41.707 42.059 -0.024 0.000 0.899 315 L HN 0.006 nan 8.230 nan 0.000 0.433 316 V N -1.691 118.409 119.914 0.311 0.000 2.331 316 V HA -0.089 4.030 4.120 -0.002 0.000 0.242 316 V C 0.228 176.604 176.094 0.469 0.000 1.034 316 V CA 1.052 63.597 62.300 0.407 0.000 1.027 316 V CB -0.491 31.642 31.823 0.516 0.000 0.667 316 V HN 0.442 nan 8.190 nan 0.000 0.457 317 Y N 0.761 121.256 120.300 0.326 0.000 2.323 317 Y HA 0.503 5.052 4.550 -0.003 0.000 0.322 317 Y C -1.525 174.475 175.900 0.167 0.000 1.133 317 Y CA -2.000 56.247 58.100 0.246 0.000 1.093 317 Y CB 1.266 39.887 38.460 0.269 0.000 1.203 317 Y HN 0.148 nan 8.280 nan 0.000 0.427 318 D N 5.263 125.338 120.400 -0.542 0.000 2.427 318 D HA 0.120 4.759 4.640 -0.002 0.000 0.226 318 D C 0.805 176.542 176.300 -0.940 0.000 1.076 318 D CA 0.043 53.527 54.000 -0.859 0.000 0.849 318 D CB 1.958 42.392 40.800 -0.610 0.000 1.052 318 D HN 0.545 nan 8.370 nan 0.000 0.515 319 V N 5.581 124.915 119.914 -0.967 0.000 2.546 319 V HA -0.251 3.868 4.120 -0.002 0.000 0.254 319 V C 2.101 178.034 176.094 -0.269 0.000 1.076 319 V CA 1.882 63.805 62.300 -0.630 0.000 1.087 319 V CB -0.275 31.266 31.823 -0.471 0.000 0.674 319 V HN 0.534 nan 8.190 nan 0.000 0.470 320 R N -0.062 120.278 120.500 -0.265 0.000 2.193 320 R HA -0.177 4.162 4.340 -0.002 0.000 0.229 320 R C 2.294 178.558 176.300 -0.060 0.000 1.110 320 R CA 1.562 57.590 56.100 -0.119 0.000 0.988 320 R CB -0.372 29.861 30.300 -0.111 0.000 0.871 320 R HN 0.734 nan 8.270 nan 0.000 0.458 321 R N 0.505 120.956 120.500 -0.081 0.000 2.189 321 R HA -0.069 4.269 4.340 -0.002 0.000 0.223 321 R C 0.753 177.102 176.300 0.082 0.000 1.092 321 R CA 1.800 57.902 56.100 0.004 0.000 0.989 321 R CB 0.021 30.330 30.300 0.015 0.000 0.876 321 R HN 0.092 nan 8.270 nan 0.000 0.457 322 D N 0.363 120.849 120.400 0.144 0.000 2.338 322 D HA -0.100 4.539 4.640 -0.002 0.000 0.208 322 D C 1.032 177.429 176.300 0.161 0.000 0.997 322 D CA 0.669 54.803 54.000 0.224 0.000 0.880 322 D CB -0.244 40.801 40.800 0.408 0.000 0.980 322 D HN 0.317 nan 8.370 nan 0.000 0.509 323 D N 1.497 121.971 120.400 0.124 0.000 2.097 323 D HA -0.126 4.513 4.640 -0.002 0.000 0.195 323 D C 1.947 178.295 176.300 0.081 0.000 0.989 323 D CA 1.185 55.254 54.000 0.114 0.000 0.827 323 D CB 0.339 41.190 40.800 0.086 0.000 0.966 323 D HN 0.039 nan 8.370 nan 0.000 0.456 324 A N 1.524 124.378 122.820 0.056 0.000 1.877 324 A HA -0.094 4.225 4.320 -0.002 0.000 0.216 324 A C -0.184 177.423 177.584 0.039 0.000 1.186 324 A CA 1.820 53.881 52.037 0.040 0.000 0.620 324 A CB -1.593 17.423 19.000 0.026 0.000 0.822 324 A HN 0.364 nan 8.150 nan 0.000 0.443 325 P HA -0.070 nan 4.420 nan 0.000 0.225 325 P C 1.485 178.801 177.300 0.027 0.000 1.156 325 P CA 0.665 63.786 63.100 0.034 0.000 0.787 325 P CB -0.073 31.650 31.700 0.039 0.000 0.802 326 L N 0.313 121.556 121.223 0.033 0.000 2.109 326 L HA 0.023 4.362 4.340 -0.002 0.000 0.207 326 L C 2.507 179.381 176.870 0.007 0.000 1.086 326 L CA 1.604 56.450 54.840 0.011 0.000 0.760 326 L CB -0.880 41.190 42.059 0.019 0.000 0.910 326 L HN -0.253 nan 8.230 nan 0.000 0.437 327 R N -0.523 119.991 120.500 0.023 0.000 2.148 327 R HA -0.140 4.199 4.340 -0.002 0.000 0.227 327 R C 2.222 178.528 176.300 0.010 0.000 1.103 327 R CA 1.139 57.248 56.100 0.016 0.000 0.983 327 R CB -0.259 30.059 30.300 0.031 0.000 0.874 327 R HN 0.335 nan 8.270 nan 0.000 0.451 328 K N 0.988 121.396 120.400 0.014 0.000 2.217 328 K HA -0.065 4.254 4.320 -0.002 0.000 0.202 328 K C 1.336 177.941 176.600 0.008 0.000 1.051 328 K CA 1.304 57.598 56.287 0.012 0.000 0.952 328 K CB 0.444 32.952 32.500 0.014 0.000 0.736 328 K HN 0.198 nan 8.250 nan 0.000 0.453 329 V N -4.637 115.281 119.914 0.007 0.000 3.337 329 V HA 0.382 4.501 4.120 -0.002 0.000 0.307 329 V C 1.300 177.398 176.094 0.007 0.000 1.505 329 V CA 0.333 62.638 62.300 0.009 0.000 1.072 329 V CB 0.346 32.179 31.823 0.016 0.000 0.929 329 V HN 0.073 nan 8.190 nan 0.000 0.455 330 A N 1.825 124.639 122.820 -0.009 0.000 1.908 330 A HA 0.063 4.382 4.320 -0.002 0.000 0.218 330 A C 2.071 179.634 177.584 -0.035 0.000 1.181 330 A CA 2.124 54.143 52.037 -0.029 0.000 0.627 330 A CB -1.045 17.904 19.000 -0.084 0.000 0.818 330 A HN 1.011 nan 8.150 nan 0.000 0.445 331 G N -0.999 107.783 108.800 -0.030 0.000 3.181 331 G HA2 0.379 4.337 3.960 -0.002 0.000 0.219 331 G HA3 0.379 4.337 3.960 -0.002 0.000 0.219 331 G C 0.293 175.183 174.900 -0.016 0.000 1.182 331 G CA -0.194 44.888 45.100 -0.029 0.000 0.791 331 G HN 0.426 nan 8.290 nan 0.000 0.537 332 I N 2.503 123.070 120.570 -0.005 0.000 2.307 332 I HA 0.233 4.401 4.170 -0.002 0.000 0.289 332 I C -2.059 174.064 176.117 0.010 0.000 1.021 332 I CA -2.308 58.994 61.300 0.004 0.000 1.224 332 I CB 1.744 39.750 38.000 0.010 0.000 1.376 332 I HN -0.108 nan 8.210 nan 0.000 0.470 333 P HA 0.056 nan 4.420 nan 0.000 0.263 333 P C 0.849 178.162 177.300 0.021 0.000 1.195 333 P CA 0.707 63.810 63.100 0.006 0.000 0.762 333 P CB 0.920 32.619 31.700 -0.002 0.000 0.799 334 G N 3.233 112.055 108.800 0.037 0.000 2.238 334 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.217 334 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.217 334 G C 0.969 175.914 174.900 0.075 0.000 0.996 334 G CA -0.207 44.924 45.100 0.050 0.000 0.632 334 G HN 0.484 nan 8.290 nan 0.000 0.503 335 E N -0.291 119.957 120.200 0.080 0.000 2.122 335 E HA 0.139 4.487 4.350 -0.002 0.000 0.190 335 E C 1.972 178.639 176.600 0.111 0.000 0.977 335 E CA 0.676 57.122 56.400 0.076 0.000 0.820 335 E CB -0.123 29.608 29.700 0.052 0.000 0.770 335 E HN 0.594 nan 8.360 nan 0.000 0.462 336 F N 2.696 122.635 119.950 -0.019 0.000 2.095 336 F HA -0.222 4.304 4.527 -0.002 0.000 0.298 336 F C 1.769 177.577 175.800 0.013 0.000 1.104 336 F CA 1.637 59.625 58.000 -0.021 0.000 1.232 336 F CB 0.168 39.134 39.000 -0.056 0.000 0.987 336 F HN -0.104 nan 8.300 nan 0.000 0.475 337 D N 0.199 120.783 120.400 0.306 0.000 2.178 337 D HA -0.163 4.476 4.640 -0.002 0.000 0.202 337 D C 2.115 178.468 176.300 0.088 0.000 0.974 337 D CA 0.974 55.090 54.000 0.194 0.000 0.841 337 D CB -0.318 40.584 40.800 0.170 0.000 0.953 337 D HN 0.334 nan 8.370 nan 0.000 0.478 338 K N 0.402 120.846 120.400 0.074 0.000 2.097 338 K HA -0.034 4.285 4.320 -0.002 0.000 0.206 338 K C 2.163 178.789 176.600 0.043 0.000 1.049 338 K CA 0.506 56.824 56.287 0.051 0.000 0.933 338 K CB 0.012 32.538 32.500 0.043 0.000 0.717 338 K HN 0.098 nan 8.250 nan 0.000 0.442 339 L N 0.177 121.407 121.223 0.013 0.000 2.217 339 L HA -0.118 4.220 4.340 -0.002 0.000 0.211 339 L C 2.337 179.255 176.870 0.079 0.000 1.107 339 L CA 0.921 55.774 54.840 0.021 0.000 0.783 339 L CB -0.228 41.806 42.059 -0.042 0.000 0.919 339 L HN 0.148 nan 8.230 nan 0.000 0.442 340 R N -0.042 120.470 120.500 0.020 0.000 2.073 340 R HA -0.142 4.196 4.340 -0.002 0.000 0.229 340 R C 2.240 178.670 176.300 0.216 0.000 1.120 340 R CA 0.911 57.084 56.100 0.122 0.000 0.967 340 R CB -0.226 30.098 30.300 0.040 0.000 0.862 340 R HN 0.027 nan 8.270 nan 0.000 0.436 341 K N 1.002 121.476 120.400 0.122 0.000 2.057 341 K HA -0.067 4.252 4.320 -0.002 0.000 0.207 341 K C 1.305 177.959 176.600 0.090 0.000 1.049 341 K CA 1.338 57.676 56.287 0.086 0.000 0.931 341 K CB -0.016 32.515 32.500 0.052 0.000 0.714 341 K HN 0.030 nan 8.250 nan 0.000 0.440 342 N N -0.122 118.638 118.700 0.099 0.000 2.383 342 N HA -0.077 4.662 4.740 -0.002 0.000 0.192 342 N C -0.675 174.897 175.510 0.104 0.000 1.141 342 N CA -0.021 53.074 53.050 0.074 0.000 0.851 342 N CB -0.160 38.355 38.487 0.047 0.000 0.976 342 N HN 0.165 nan 8.380 nan 0.000 0.465 343 Y N 1.637 121.974 120.300 0.063 0.000 2.881 343 Y HA -0.100 4.449 4.550 -0.002 0.000 0.335 343 Y C 0.545 176.485 175.900 0.066 0.000 1.263 343 Y CA 0.285 58.447 58.100 0.102 0.000 1.572 343 Y CB 0.219 38.826 38.460 0.246 0.000 1.237 343 Y HN -0.004 nan 8.280 nan 0.000 0.568 344 L N 5.672 126.470 121.223 -0.708 0.000 2.395 344 L HA 0.143 4.482 4.340 -0.002 0.000 0.269 344 L C 0.609 177.229 176.870 -0.417 0.000 1.133 344 L CA -0.492 54.086 54.840 -0.438 0.000 0.812 344 L CB 0.637 42.507 42.059 -0.314 0.000 1.125 344 L HN 0.633 nan 8.230 nan 0.000 0.452 345 E N 3.213 123.323 120.200 -0.150 0.000 2.529 345 E HA -0.054 4.295 4.350 -0.002 0.000 0.259 345 E C -0.466 176.131 176.600 -0.006 0.000 0.966 345 E CA 0.242 56.618 56.400 -0.039 0.000 0.937 345 E CB 0.564 30.256 29.700 -0.014 0.000 0.923 345 E HN 0.371 nan 8.360 nan 0.000 0.468 346 R N 3.840 124.384 120.500 0.073 0.000 2.538 346 R HA 0.294 4.633 4.340 -0.002 0.000 0.292 346 R C -0.819 175.529 176.300 0.080 0.000 1.008 346 R CA -0.820 55.336 56.100 0.093 0.000 0.896 346 R CB 0.852 31.213 30.300 0.102 0.000 1.187 346 R HN 0.433 nan 8.270 nan 0.000 0.440 347 R N 2.161 122.725 120.500 0.107 0.000 2.607 347 R HA 0.348 4.687 4.340 -0.002 0.000 0.261 347 R C -0.331 176.024 176.300 0.091 0.000 1.051 347 R CA -0.659 55.502 56.100 0.102 0.000 1.110 347 R CB 0.835 31.215 30.300 0.134 0.000 1.158 347 R HN 0.692 nan 8.270 nan 0.000 0.543 348 E N 0.050 120.286 120.200 0.059 0.000 2.250 348 E HA 0.132 4.481 4.350 -0.002 0.000 0.265 348 E C 0.430 177.091 176.600 0.102 0.000 1.033 348 E CA -0.619 55.779 56.400 -0.004 0.000 0.888 348 E CB 0.707 30.364 29.700 -0.071 0.000 1.151 348 E HN 0.406 nan 8.360 nan 0.000 0.412 349 W N 0.788 121.963 121.300 -0.207 0.000 2.341 349 W HA -0.161 4.498 4.660 -0.003 0.000 0.283 349 W C 2.167 178.519 176.519 -0.279 0.000 1.215 349 W CA 1.336 58.392 57.345 -0.483 0.000 1.211 349 W CB -1.189 27.514 29.460 -1.262 0.000 1.131 349 W HN 0.502 nan 8.180 nan 0.000 0.552 350 S N -0.395 115.339 115.700 0.058 0.000 2.515 350 S HA -0.104 4.364 4.470 -0.002 0.000 0.231 350 S C 1.751 176.432 174.600 0.136 0.000 0.987 350 S CA 0.959 59.212 58.200 0.087 0.000 0.936 350 S CB -0.776 62.454 63.200 0.050 0.000 0.766 350 S HN 0.201 nan 8.310 nan 0.000 0.528 351 S N 0.424 116.211 115.700 0.144 0.000 2.561 351 S HA 0.215 4.684 4.470 -0.002 0.000 0.225 351 S C 0.253 174.979 174.600 0.210 0.000 0.977 351 S CA -0.389 57.904 58.200 0.155 0.000 0.926 351 S CB -0.504 62.780 63.200 0.139 0.000 0.769 351 S HN 0.450 nan 8.310 nan 0.000 0.533 352 L N 1.685 123.064 121.223 0.261 0.000 2.298 352 L HA 0.535 4.873 4.340 -0.002 0.000 0.284 352 L C -1.144 175.915 176.870 0.315 0.000 1.013 352 L CA -1.241 53.782 54.840 0.305 0.000 0.824 352 L CB 1.134 43.409 42.059 0.359 0.000 1.221 352 L HN 0.285 nan 8.230 nan 0.000 0.418 353 Y N 5.391 125.778 120.300 0.146 0.000 2.425 353 Y HA 0.570 5.118 4.550 -0.002 0.000 0.347 353 Y C -0.344 175.603 175.900 0.079 0.000 0.976 353 Y CA -0.189 57.976 58.100 0.110 0.000 1.190 353 Y CB 0.693 39.201 38.460 0.081 0.000 1.136 353 Y HN 0.490 nan 8.280 nan 0.000 0.517 357 D N -0.110 120.368 120.400 0.130 0.000 2.355 357 D HA -0.013 4.625 4.640 -0.002 0.000 0.218 357 D C 0.202 176.621 176.300 0.199 0.000 1.004 357 D CA 0.777 54.891 54.000 0.189 0.000 0.880 357 D CB 0.176 41.066 40.800 0.150 0.000 0.911 357 D HN 0.647 nan 8.370 nan 0.000 0.528 358 D N 0.561 121.004 120.400 0.072 0.000 2.256 358 D HA 0.054 4.692 4.640 -0.002 0.000 0.240 358 D C 0.527 176.720 176.300 -0.179 0.000 1.062 358 D CA -0.322 53.639 54.000 -0.066 0.000 0.832 358 D CB 1.868 42.601 40.800 -0.111 0.000 1.135 358 D HN 0.058 nan 8.370 nan 0.000 0.484 359 E N 1.775 121.722 120.200 -0.422 0.000 2.047 359 E HA -0.201 4.147 4.350 -0.002 0.000 0.191 359 E C 1.741 178.190 176.600 -0.252 0.000 0.987 359 E CA 1.860 57.916 56.400 -0.574 0.000 0.799 359 E CB 0.189 29.525 29.700 -0.607 0.000 0.752 359 E HN 0.634 nan 8.360 nan 0.000 0.449 360 T N -1.404 113.041 114.554 -0.182 0.000 2.788 360 T HA -0.062 4.287 4.350 -0.002 0.000 0.268 360 T C 1.952 176.591 174.700 -0.101 0.000 1.044 360 T CA 1.255 63.284 62.100 -0.118 0.000 1.139 360 T CB -0.391 68.419 68.868 -0.097 0.000 0.867 360 T HN 0.214 nan 8.240 nan 0.000 0.454 361 A N 1.728 124.481 122.820 -0.112 0.000 1.933 361 A HA 0.377 4.695 4.320 -0.002 0.000 0.218 361 A C 2.831 180.353 177.584 -0.103 0.000 1.175 361 A CA 1.819 53.789 52.037 -0.111 0.000 0.628 361 A CB -1.364 17.564 19.000 -0.121 0.000 0.814 361 A HN 0.796 nan 8.150 nan 0.000 0.444 362 A N -0.140 122.629 122.820 -0.085 0.000 1.898 362 A HA 0.215 4.533 4.320 -0.002 0.000 0.216 362 A C 2.500 180.059 177.584 -0.043 0.000 1.181 362 A CA 1.910 53.913 52.037 -0.058 0.000 0.620 362 A CB -0.993 18.003 19.000 -0.007 0.000 0.819 362 A HN 1.013 nan 8.150 nan 0.000 0.442 363 A N -0.516 122.275 122.820 -0.049 0.000 1.902 363 A HA -0.040 4.278 4.320 -0.002 0.000 0.217 363 A C 2.128 179.702 177.584 -0.017 0.000 1.181 363 A CA 1.801 53.820 52.037 -0.030 0.000 0.623 363 A CB -0.584 18.392 19.000 -0.040 0.000 0.818 363 A HN 0.627 nan 8.150 nan 0.000 0.443 364 L N -0.194 121.009 121.223 -0.032 0.000 2.027 364 L HA -0.042 4.297 4.340 -0.002 0.000 0.206 364 L C 2.298 179.166 176.870 -0.002 0.000 1.074 364 L CA 1.586 56.414 54.840 -0.020 0.000 0.745 364 L CB -0.719 41.316 42.059 -0.041 0.000 0.898 364 L HN 0.401 nan 8.230 nan 0.000 0.433 365 L N -1.416 119.786 121.223 -0.035 0.000 2.042 365 L HA -0.325 4.013 4.340 -0.002 0.000 0.210 365 L C 2.662 179.616 176.870 0.141 0.000 1.076 365 L CA 1.575 56.417 54.840 0.004 0.000 0.749 365 L CB -0.842 41.134 42.059 -0.138 0.000 0.893 365 L HN 0.391 nan 8.230 nan 0.000 0.432 366 C N -0.106 119.239 119.300 0.074 0.000 2.429 366 C HA -0.174 4.284 4.460 -0.002 0.000 0.277 366 C C 2.778 177.820 174.990 0.087 0.000 1.262 366 C CA 0.885 59.954 59.018 0.084 0.000 1.733 366 C CB -0.665 27.102 27.740 0.044 0.000 2.010 366 C HN 0.414 nan 8.230 nan 0.000 0.483 367 K N 0.313 120.754 120.400 0.068 0.000 2.217 367 K HA 0.038 4.357 4.320 -0.002 0.000 0.202 367 K C 1.582 178.231 176.600 0.082 0.000 1.051 367 K CA 0.853 57.177 56.287 0.062 0.000 0.952 367 K CB -0.119 32.409 32.500 0.046 0.000 0.736 367 K HN 0.488 nan 8.250 nan 0.000 0.453 368 L N -0.767 120.527 121.223 0.119 0.000 2.478 368 L HA 0.030 4.369 4.340 -0.002 0.000 0.223 368 L C 1.191 178.193 176.870 0.221 0.000 1.140 368 L CA 0.709 55.645 54.840 0.161 0.000 0.842 368 L CB -0.021 42.151 42.059 0.188 0.000 0.953 368 L HN 0.478 nan 8.230 nan 0.000 0.452 369 G N -1.045 107.858 108.800 0.171 0.000 2.163 369 G HA2 -0.246 3.712 3.960 -0.002 0.000 0.213 369 G HA3 -0.246 3.712 3.960 -0.002 0.000 0.213 369 G C 0.112 175.043 174.900 0.050 0.000 0.991 369 G CA -0.654 44.501 45.100 0.091 0.000 0.653 369 G HN 0.108 nan 8.290 nan 0.000 0.518 370 F N 0.753 120.797 119.950 0.158 0.000 2.450 370 F HA 0.452 4.977 4.527 -0.003 0.000 0.339 370 F C 1.058 176.882 175.800 0.039 0.000 1.146 370 F CA -0.433 57.619 58.000 0.087 0.000 1.267 370 F CB 0.595 39.570 39.000 -0.043 0.000 1.178 370 F HN 0.017 nan 8.300 nan 0.000 0.585 371 N N 2.125 120.957 118.700 0.220 0.000 2.895 371 N HA 0.297 5.036 4.740 -0.002 0.000 0.277 371 N C -0.947 174.505 175.510 -0.096 0.000 1.185 371 N CA -0.084 53.031 53.050 0.108 0.000 1.106 371 N CB -0.239 38.367 38.487 0.199 0.000 1.422 371 N HN 0.619 nan 8.380 nan 0.000 0.521 372 A N 1.395 124.170 122.820 -0.075 0.000 2.312 372 A HA 0.685 5.004 4.320 -0.002 0.000 0.326 372 A C -0.104 177.369 177.584 -0.185 0.000 1.172 372 A CA -0.579 51.349 52.037 -0.183 0.000 0.821 372 A CB 0.902 19.846 19.000 -0.092 0.000 1.166 372 A HN 0.380 nan 8.150 nan 0.000 0.493 373 V N -0.167 119.613 119.914 -0.223 0.000 3.102 373 V HA 0.601 4.720 4.120 -0.002 0.000 0.312 373 V C -0.358 175.754 176.094 0.030 0.000 1.135 373 V CA -0.799 61.453 62.300 -0.079 0.000 1.022 373 V CB 1.661 33.440 31.823 -0.073 0.000 1.056 373 V HN 1.044 nan 8.190 nan 0.000 0.436 374 H N 1.504 120.566 119.070 -0.014 0.000 2.459 374 H HA 0.519 5.074 4.556 -0.002 0.000 0.332 374 H C -1.470 173.894 175.328 0.060 0.000 1.094 374 H CA -0.421 55.632 56.048 0.009 0.000 1.224 374 H CB 1.387 31.142 29.762 -0.012 0.000 1.449 374 H HN 1.005 nan 8.280 nan 0.000 0.484 375 H N 6.797 125.620 119.070 -0.412 0.000 2.661 375 H HA 0.295 4.849 4.556 -0.002 0.000 0.290 375 H C -2.153 172.834 175.328 -0.569 0.000 1.082 375 H CA -1.656 54.163 56.048 -0.382 0.000 1.234 375 H CB 0.670 30.357 29.762 -0.125 0.000 1.387 375 H HN 0.585 nan 8.280 nan 0.000 0.476 376 P HA 0.000 nan 4.420 nan 0.000 0.216 376 P CA 0.000 62.810 63.100 -0.483 0.000 0.800 376 P CB 0.000 31.493 31.700 -0.345 0.000 0.726