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 1i01_1_E DATA FIRST_RESID 2 DATA SEQUENCE NFEGKIALVT GASRGIGRAI AETLAARGAK VIGTATSENG AQAISDYLGA DATA SEQUENCE NGKGLMLNVT DPASIESVLE KIRAEFGEVD ILVNNAGITR DNLLMRMKDE DATA SEQUENCE EWNDIIETNL SSVFRLSKAV MRAMMKKRHG RIITIGSVVX XXXXXGQANY DATA SEQUENCE AAAKAGLIGF SKSLAREVAS RGITVNVVAP GFIETDMTRA LSDDQRAGIL DATA SEQUENCE AQVPAGRLGG AQEIANAVAF LASDEAAYIT GETLHVNGGM VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.245 175.510 -0.441 0.000 1.280 2 N CA 0.000 52.864 53.050 -0.309 0.000 0.885 2 N CB 0.000 38.405 38.487 -0.137 0.000 1.341 3 F N 1.276 121.228 119.950 0.005 0.000 2.684 3 F HA 0.214 4.741 4.527 0.000 0.000 0.298 3 F C 0.694 176.490 175.800 -0.007 0.000 1.120 3 F CA -0.613 57.386 58.000 -0.002 0.000 1.332 3 F CB 0.060 39.061 39.000 0.001 0.000 0.986 3 F HN 0.438 nan 8.300 nan 0.000 0.524 4 E N 0.246 120.515 120.200 0.115 0.000 2.480 4 E HA 0.283 4.633 4.350 0.000 0.000 0.258 4 E C 1.236 177.871 176.600 0.059 0.000 0.984 4 E CA 0.708 57.154 56.400 0.077 0.000 0.930 4 E CB 0.482 30.207 29.700 0.042 0.000 0.936 4 E HN 0.452 nan 8.360 nan 0.000 0.466 5 G N 2.913 111.748 108.800 0.059 0.000 2.194 5 G HA2 -0.219 3.741 3.960 0.000 0.000 0.236 5 G HA3 -0.219 3.741 3.960 0.000 0.000 0.236 5 G C -0.008 174.922 174.900 0.049 0.000 0.987 5 G CA 0.006 45.132 45.100 0.044 0.000 0.635 5 G HN 0.464 nan 8.290 nan 0.000 0.520 6 K N 0.338 120.784 120.400 0.076 0.000 2.123 6 K HA 0.718 5.038 4.320 0.000 0.000 0.259 6 K C -0.004 176.612 176.600 0.025 0.000 0.960 6 K CA -0.603 55.729 56.287 0.075 0.000 0.872 6 K CB 1.843 34.439 32.500 0.160 0.000 1.079 6 K HN 0.291 nan 8.250 nan 0.000 0.440 7 I N 1.612 122.182 120.570 0.000 0.000 2.378 7 I HA 0.321 4.491 4.170 0.000 0.000 0.291 7 I C -0.297 175.769 176.117 -0.086 0.000 0.992 7 I CA -0.797 60.466 61.300 -0.062 0.000 1.154 7 I CB 1.875 39.855 38.000 -0.033 0.000 1.315 7 I HN 0.513 nan 8.210 nan 0.000 0.448 8 A N 6.759 129.491 122.820 -0.145 0.000 2.331 8 A HA 0.752 5.072 4.320 0.000 0.000 0.320 8 A C -1.212 176.286 177.584 -0.144 0.000 1.138 8 A CA -0.501 51.448 52.037 -0.147 0.000 0.790 8 A CB 1.432 20.310 19.000 -0.202 0.000 1.206 8 A HN 0.593 nan 8.150 nan 0.000 0.470 9 L N 3.708 124.867 121.223 -0.106 0.000 2.280 9 L HA 0.658 4.998 4.340 0.000 0.000 0.287 9 L C -1.108 175.716 176.870 -0.075 0.000 1.023 9 L CA -0.199 54.587 54.840 -0.090 0.000 0.819 9 L CB 1.388 43.409 42.059 -0.063 0.000 1.212 9 L HN 0.360 nan 8.230 nan 0.000 0.420 10 V N 4.104 123.975 119.914 -0.071 0.000 2.350 10 V HA 0.453 4.573 4.120 0.000 0.000 0.285 10 V C 0.440 176.514 176.094 -0.033 0.000 1.014 10 V CA -0.372 61.898 62.300 -0.051 0.000 0.831 10 V CB 1.418 33.214 31.823 -0.045 0.000 1.000 10 V HN 0.872 nan 8.190 nan 0.000 0.433 11 T N 0.950 115.487 114.554 -0.027 0.000 2.910 11 T HA 0.538 4.888 4.350 0.000 0.000 0.293 11 T C 0.987 175.681 174.700 -0.010 0.000 1.015 11 T CA 0.371 62.460 62.100 -0.019 0.000 1.094 11 T CB 1.357 70.213 68.868 -0.019 0.000 0.968 11 T HN 1.933 nan 8.240 nan 0.000 0.521 12 G N 1.171 109.969 108.800 -0.003 0.000 2.314 12 G HA2 0.004 3.964 3.960 0.000 0.000 0.292 12 G HA3 0.004 3.964 3.960 0.000 0.000 0.292 12 G C 0.581 175.492 174.900 0.018 0.000 1.059 12 G CA -0.057 45.045 45.100 0.004 0.000 0.982 12 G HN 1.580 nan 8.290 nan 0.000 0.505 13 A N -0.425 122.417 122.820 0.037 0.000 2.370 13 A HA 0.627 4.947 4.320 0.000 0.000 0.238 13 A C 2.167 179.841 177.584 0.150 0.000 1.289 13 A CA 1.450 53.539 52.037 0.086 0.000 0.885 13 A CB -0.108 18.953 19.000 0.103 0.000 0.961 13 A HN 0.723 nan 8.150 nan 0.000 0.499 14 S N 0.468 116.226 115.700 0.098 0.000 2.356 14 S HA -0.063 4.407 4.470 0.000 0.000 0.223 14 S C 1.163 175.817 174.600 0.089 0.000 1.032 14 S CA 1.609 59.878 58.200 0.115 0.000 1.005 14 S CB -0.111 63.126 63.200 0.062 0.000 0.867 14 S HN 0.924 nan 8.310 nan 0.000 0.449 15 R N -2.090 118.428 120.500 0.030 0.000 2.829 15 R HA 0.606 4.946 4.340 0.000 0.000 0.267 15 R C 0.766 177.047 176.300 -0.030 0.000 1.051 15 R CA -0.475 55.614 56.100 -0.018 0.000 0.927 15 R CB -0.229 30.064 30.300 -0.012 0.000 1.292 15 R HN 0.136 nan 8.270 nan 0.000 0.445 16 G N 0.891 109.664 108.800 -0.045 0.000 2.651 16 G HA2 -0.384 3.577 3.960 0.000 0.000 0.315 16 G HA3 -0.384 3.577 3.960 0.000 0.000 0.315 16 G C 0.912 175.788 174.900 -0.040 0.000 1.258 16 G CA 0.742 45.819 45.100 -0.038 0.000 1.002 16 G HN 0.634 nan 8.290 nan 0.000 0.551 17 I N 1.638 122.191 120.570 -0.029 0.000 2.163 17 I HA -0.144 4.026 4.170 0.000 0.000 0.243 17 I C 3.183 179.286 176.117 -0.024 0.000 1.085 17 I CA 2.058 63.342 61.300 -0.026 0.000 1.347 17 I CB -0.931 37.054 38.000 -0.024 0.000 1.044 17 I HN 0.644 nan 8.210 nan 0.000 0.408 18 G N 0.592 109.382 108.800 -0.018 0.000 2.476 18 G HA2 -0.314 3.646 3.960 0.000 0.000 0.218 18 G HA3 -0.314 3.646 3.960 0.000 0.000 0.218 18 G C 1.785 176.690 174.900 0.008 0.000 1.164 18 G CA 1.010 46.107 45.100 -0.004 0.000 0.768 18 G HN 0.324 nan 8.290 nan 0.000 0.560 19 R N 0.532 121.024 120.500 -0.013 0.000 2.092 19 R HA 0.127 4.467 4.340 0.000 0.000 0.231 19 R C 2.842 179.080 176.300 -0.103 0.000 1.119 19 R CA 1.359 57.420 56.100 -0.065 0.000 0.970 19 R CB -0.382 29.787 30.300 -0.219 0.000 0.864 19 R HN 0.275 nan 8.270 nan 0.000 0.440 20 A N 1.171 123.941 122.820 -0.083 0.000 1.933 20 A HA -0.132 4.188 4.320 0.000 0.000 0.218 20 A C 2.123 179.686 177.584 -0.035 0.000 1.175 20 A CA 1.373 53.371 52.037 -0.065 0.000 0.628 20 A CB -0.464 18.509 19.000 -0.045 0.000 0.814 20 A HN 0.366 nan 8.150 nan 0.000 0.444 21 I N -0.406 120.149 120.570 -0.025 0.000 2.202 21 I HA -0.261 3.909 4.170 0.000 0.000 0.242 21 I C 2.996 179.096 176.117 -0.028 0.000 1.091 21 I CA 1.048 62.333 61.300 -0.026 0.000 1.368 21 I CB -0.402 37.580 38.000 -0.029 0.000 1.058 21 I HN 0.359 nan 8.210 nan 0.000 0.410 22 A N 0.566 123.389 122.820 0.005 0.000 1.902 22 A HA -0.224 4.096 4.320 0.000 0.000 0.217 22 A C 2.203 179.822 177.584 0.059 0.000 1.181 22 A CA 1.725 53.785 52.037 0.040 0.000 0.623 22 A CB -0.590 18.500 19.000 0.150 0.000 0.818 22 A HN 0.457 nan 8.150 nan 0.000 0.443 23 E N -0.965 119.269 120.200 0.057 0.000 2.106 23 E HA -0.107 4.243 4.350 0.000 0.000 0.192 23 E C 2.029 178.644 176.600 0.024 0.000 0.984 23 E CA 1.448 57.876 56.400 0.046 0.000 0.806 23 E CB -0.279 29.401 29.700 -0.032 0.000 0.750 23 E HN 0.593 nan 8.360 nan 0.000 0.458 24 T N 1.640 116.199 114.554 0.008 0.000 2.737 24 T HA -0.079 4.271 4.350 0.000 0.000 0.265 24 T C 1.980 176.695 174.700 0.025 0.000 1.038 24 T CA 0.721 62.836 62.100 0.024 0.000 1.144 24 T CB -0.142 68.742 68.868 0.026 0.000 0.866 24 T HN 0.078 nan 8.240 nan 0.000 0.434 25 L N 0.734 121.925 121.223 -0.054 0.000 2.083 25 L HA -0.069 4.271 4.340 0.000 0.000 0.209 25 L C 3.020 179.855 176.870 -0.058 0.000 1.083 25 L CA 1.154 55.891 54.840 -0.172 0.000 0.752 25 L CB -0.651 41.213 42.059 -0.324 0.000 0.899 25 L HN 0.247 nan 8.230 nan 0.000 0.433 26 A N 0.052 122.859 122.820 -0.021 0.000 1.898 26 A HA -0.093 4.227 4.320 0.000 0.000 0.216 26 A C 2.496 180.110 177.584 0.050 0.000 1.181 26 A CA 1.472 53.515 52.037 0.011 0.000 0.620 26 A CB -0.607 18.408 19.000 0.024 0.000 0.819 26 A HN 0.375 nan 8.150 nan 0.000 0.442 27 A N -0.450 122.405 122.820 0.058 0.000 2.067 27 A HA -0.075 4.245 4.320 0.000 0.000 0.219 27 A C 1.950 179.590 177.584 0.093 0.000 1.158 27 A CA 1.113 53.190 52.037 0.067 0.000 0.661 27 A CB -0.304 18.730 19.000 0.057 0.000 0.801 27 A HN 0.507 nan 8.150 nan 0.000 0.452 28 R N -1.432 119.155 120.500 0.145 0.000 2.515 28 R HA 0.296 4.636 4.340 0.000 0.000 0.294 28 R C 1.027 177.469 176.300 0.236 0.000 1.021 28 R CA 0.454 56.681 56.100 0.212 0.000 1.081 28 R CB 0.058 30.574 30.300 0.360 0.000 1.263 28 R HN 0.594 nan 8.270 nan 0.000 0.557 29 G N 0.257 109.150 108.800 0.155 0.000 2.175 29 G HA2 -0.299 3.661 3.960 0.000 0.000 0.244 29 G HA3 -0.299 3.661 3.960 0.000 0.000 0.244 29 G C 0.250 175.226 174.900 0.126 0.000 0.982 29 G CA -0.026 45.151 45.100 0.129 0.000 0.641 29 G HN 0.498 nan 8.290 nan 0.000 0.527 30 A N -0.370 122.519 122.820 0.114 0.000 2.322 30 A HA 0.752 5.072 4.320 0.000 0.000 0.269 30 A C 0.338 177.900 177.584 -0.038 0.000 1.094 30 A CA 0.180 52.234 52.037 0.028 0.000 0.807 30 A CB 0.700 19.633 19.000 -0.113 0.000 1.047 30 A HN 0.417 nan 8.150 nan 0.000 0.487 31 K N 0.939 121.292 120.400 -0.078 0.000 2.248 31 K HA 0.504 4.824 4.320 0.000 0.000 0.281 31 K C -1.078 175.358 176.600 -0.273 0.000 1.054 31 K CA 0.088 56.274 56.287 -0.168 0.000 0.903 31 K CB 0.797 33.193 32.500 -0.173 0.000 1.077 31 K HN 0.364 nan 8.250 nan 0.000 0.474 32 V N 5.851 125.601 119.914 -0.274 0.000 2.513 32 V HA 0.479 4.599 4.120 0.000 0.000 0.299 32 V C -0.434 175.473 176.094 -0.312 0.000 1.035 32 V CA -0.920 61.227 62.300 -0.254 0.000 0.889 32 V CB 1.498 33.233 31.823 -0.147 0.000 0.988 32 V HN 0.563 nan 8.190 nan 0.000 0.440 33 I N 3.979 124.386 120.570 -0.271 0.000 2.390 33 I HA 0.601 4.771 4.170 0.000 0.000 0.283 33 I C 0.734 176.771 176.117 -0.133 0.000 1.016 33 I CA 0.296 61.464 61.300 -0.220 0.000 1.151 33 I CB 1.523 39.404 38.000 -0.198 0.000 1.293 33 I HN 0.695 nan 8.210 nan 0.000 0.458 34 G N 3.418 112.147 108.800 -0.119 0.000 2.389 34 G HA2 0.672 4.632 3.960 0.000 0.000 0.317 34 G HA3 0.672 4.632 3.960 0.000 0.000 0.317 34 G C -0.340 174.525 174.900 -0.058 0.000 1.137 34 G CA -0.350 44.706 45.100 -0.072 0.000 0.870 34 G HN 0.490 nan 8.290 nan 0.000 0.496 35 T N -1.846 112.689 114.554 -0.031 0.000 2.930 35 T HA 0.839 5.189 4.350 0.000 0.000 0.290 35 T C -0.223 174.472 174.700 -0.008 0.000 1.052 35 T CA -0.263 61.823 62.100 -0.023 0.000 1.017 35 T CB 2.111 70.967 68.868 -0.021 0.000 1.137 35 T HN 1.536 nan 8.240 nan 0.000 0.511 36 A N 0.670 123.486 122.820 -0.007 0.000 2.566 36 A HA 0.714 5.034 4.320 0.000 0.000 0.292 36 A C 0.921 178.505 177.584 -0.000 0.000 1.112 36 A CA -0.253 51.785 52.037 0.002 0.000 0.707 36 A CB 0.982 19.985 19.000 0.006 0.000 1.302 36 A HN 1.269 nan 8.150 nan 0.000 0.409 37 T N -1.520 113.036 114.554 0.003 0.000 3.148 37 T HA 0.279 4.629 4.350 0.000 0.000 0.253 37 T C 0.704 175.406 174.700 0.002 0.000 1.134 37 T CA 0.967 63.068 62.100 0.002 0.000 1.051 37 T CB -0.729 68.142 68.868 0.004 0.000 0.959 37 T HN 1.632 nan 8.240 nan 0.000 0.525 38 S N -0.677 115.025 115.700 0.003 0.000 2.595 38 S HA 0.513 4.984 4.470 0.000 0.000 0.281 38 S C 0.481 175.082 174.600 0.001 0.000 1.117 38 S CA -0.908 57.294 58.200 0.003 0.000 0.873 38 S CB 2.113 65.317 63.200 0.005 0.000 1.108 38 S HN -0.065 nan 8.310 nan 0.000 0.477 39 E N 1.580 121.780 120.200 0.000 0.000 2.110 39 E HA -0.129 4.221 4.350 0.000 0.000 0.193 39 E C 1.257 177.856 176.600 -0.001 0.000 0.988 39 E CA 1.336 57.736 56.400 -0.001 0.000 0.804 39 E CB -0.563 29.136 29.700 -0.001 0.000 0.745 39 E HN 0.699 nan 8.360 nan 0.000 0.458 40 N N 0.179 118.881 118.700 0.002 0.000 2.166 40 N HA -0.097 4.643 4.740 0.000 0.000 0.186 40 N C 1.789 177.303 175.510 0.007 0.000 1.019 40 N CA 1.365 54.418 53.050 0.005 0.000 0.856 40 N CB -0.527 37.965 38.487 0.008 0.000 0.993 40 N HN 0.250 nan 8.380 nan 0.000 0.426 41 G N -0.131 108.673 108.800 0.008 0.000 2.408 41 G HA2 -0.119 3.841 3.960 0.000 0.000 0.217 41 G HA3 -0.119 3.841 3.960 0.000 0.000 0.217 41 G C 1.541 176.442 174.900 0.002 0.000 1.150 41 G CA 0.838 45.946 45.100 0.013 0.000 0.776 41 G HN 0.406 nan 8.290 nan 0.000 0.542 42 A N 0.278 123.091 122.820 -0.010 0.000 1.898 42 A HA -0.061 4.259 4.320 0.000 0.000 0.216 42 A C 2.295 179.853 177.584 -0.045 0.000 1.181 42 A CA 2.194 54.213 52.037 -0.029 0.000 0.620 42 A CB -0.399 18.589 19.000 -0.021 0.000 0.819 42 A HN 0.398 nan 8.150 nan 0.000 0.442 43 Q N 0.035 119.819 119.800 -0.026 0.000 2.119 43 Q HA -0.007 4.333 4.340 0.000 0.000 0.201 43 Q C 1.999 177.979 176.000 -0.035 0.000 0.972 43 Q CA 2.099 57.885 55.803 -0.028 0.000 0.847 43 Q CB -0.645 28.086 28.738 -0.011 0.000 0.903 43 Q HN 0.538 nan 8.270 nan 0.000 0.433 44 A N 0.104 122.916 122.820 -0.013 0.000 1.933 44 A HA -0.127 4.193 4.320 0.000 0.000 0.218 44 A C 2.134 179.698 177.584 -0.033 0.000 1.175 44 A CA 1.436 53.484 52.037 0.019 0.000 0.628 44 A CB -0.689 18.347 19.000 0.060 0.000 0.814 44 A HN 0.477 nan 8.150 nan 0.000 0.444 45 I N -0.390 120.099 120.570 -0.135 0.000 2.252 45 I HA -0.212 3.958 4.170 0.000 0.000 0.245 45 I C 2.645 178.403 176.117 -0.597 0.000 1.102 45 I CA 1.382 62.389 61.300 -0.489 0.000 1.385 45 I CB -0.258 37.570 38.000 -0.286 0.000 1.064 45 I HN 0.221 nan 8.210 nan 0.000 0.414 46 S N 0.473 116.007 115.700 -0.277 0.000 2.382 46 S HA -0.197 4.273 4.470 0.000 0.000 0.228 46 S C 1.550 176.054 174.600 -0.160 0.000 1.027 46 S CA 1.436 59.522 58.200 -0.191 0.000 0.991 46 S CB -0.342 62.805 63.200 -0.088 0.000 0.823 46 S HN 0.438 nan 8.310 nan 0.000 0.469 47 D N 0.555 120.889 120.400 -0.112 0.000 2.178 47 D HA -0.096 4.544 4.640 0.000 0.000 0.201 47 D C 1.648 177.964 176.300 0.027 0.000 0.980 47 D CA 1.053 55.037 54.000 -0.026 0.000 0.842 47 D CB -0.235 40.576 40.800 0.018 0.000 0.948 47 D HN 0.743 nan 8.370 nan 0.000 0.472 48 Y N -0.758 119.543 120.300 0.002 0.000 2.497 48 Y HA 0.321 4.871 4.550 0.000 0.000 0.265 48 Y C 1.787 177.685 175.900 -0.002 0.000 1.111 48 Y CA 0.032 58.132 58.100 -0.001 0.000 1.288 48 Y CB -0.649 37.809 38.460 -0.004 0.000 1.082 48 Y HN -0.141 nan 8.280 nan 0.000 0.536 49 L N 0.353 121.456 121.223 -0.201 0.000 2.270 49 L HA 0.198 4.538 4.340 0.000 0.000 0.210 49 L C 2.128 178.988 176.870 -0.017 0.000 1.104 49 L CA 0.738 55.523 54.840 -0.092 0.000 0.804 49 L CB -0.841 41.069 42.059 -0.247 0.000 0.937 49 L HN 0.586 nan 8.230 nan 0.000 0.450 50 G N 0.683 109.467 108.800 -0.026 0.000 2.660 50 G HA2 -0.490 3.470 3.960 0.000 0.000 0.321 50 G HA3 -0.490 3.470 3.960 0.000 0.000 0.321 50 G C 1.044 175.954 174.900 0.016 0.000 1.246 50 G CA 0.778 45.881 45.100 0.006 0.000 1.000 50 G HN 0.415 nan 8.290 nan 0.000 0.550 51 A N -0.277 122.561 122.820 0.030 0.000 2.067 51 A HA 0.068 4.388 4.320 0.000 0.000 0.219 51 A C 1.955 179.571 177.584 0.053 0.000 1.158 51 A CA 1.986 54.049 52.037 0.044 0.000 0.661 51 A CB -0.323 18.701 19.000 0.040 0.000 0.801 51 A HN 0.598 nan 8.150 nan 0.000 0.452 52 N N -0.177 118.542 118.700 0.032 0.000 2.461 52 N HA 0.190 4.930 4.740 0.000 0.000 0.188 52 N C 0.733 176.220 175.510 -0.039 0.000 1.134 52 N CA 1.004 54.063 53.050 0.015 0.000 0.878 52 N CB 0.590 39.087 38.487 0.017 0.000 0.972 52 N HN 0.561 nan 8.380 nan 0.000 0.456 53 G N -0.419 108.360 108.800 -0.035 0.000 2.392 53 G HA2 0.319 4.279 3.960 0.000 0.000 0.260 53 G HA3 0.319 4.279 3.960 0.000 0.000 0.260 53 G C -1.726 173.146 174.900 -0.047 0.000 1.226 53 G CA -0.560 44.458 45.100 -0.138 0.000 0.913 53 G HN 0.067 nan 8.290 nan 0.000 0.483 54 K N -1.139 119.194 120.400 -0.111 0.000 2.597 54 K HA 0.582 4.902 4.320 0.000 0.000 0.282 54 K C -0.857 175.683 176.600 -0.100 0.000 0.975 54 K CA -0.277 55.988 56.287 -0.037 0.000 0.867 54 K CB 1.802 34.386 32.500 0.140 0.000 1.465 54 K HN 1.162 nan 8.250 nan 0.000 0.417 55 G N 2.624 111.369 108.800 -0.092 0.000 2.388 55 G HA2 0.689 4.649 3.960 0.000 0.000 0.330 55 G HA3 0.689 4.649 3.960 0.000 0.000 0.330 55 G C -1.236 173.638 174.900 -0.043 0.000 1.142 55 G CA -0.619 44.423 45.100 -0.097 0.000 0.908 55 G HN 0.379 nan 8.290 nan 0.000 0.473 56 L N 1.236 122.439 121.223 -0.033 0.000 2.371 56 L HA 0.531 4.871 4.340 0.000 0.000 0.262 56 L C -0.109 176.753 176.870 -0.014 0.000 1.006 56 L CA -0.995 53.837 54.840 -0.013 0.000 0.818 56 L CB 2.765 44.824 42.059 -0.000 0.000 1.354 56 L HN 0.544 nan 8.230 nan 0.000 0.415 57 M N 3.500 123.096 119.600 -0.008 0.000 2.120 57 M HA 0.459 4.939 4.480 0.000 0.000 0.354 57 M C -1.695 174.602 176.300 -0.006 0.000 1.287 57 M CA -0.373 54.923 55.300 -0.007 0.000 1.103 57 M CB 0.951 33.548 32.600 -0.004 0.000 1.623 57 M HN 0.436 nan 8.290 nan 0.000 0.471 58 L N 6.334 127.553 121.223 -0.008 0.000 2.409 58 L HA 0.521 4.861 4.340 0.000 0.000 0.272 58 L C -1.490 175.375 176.870 -0.008 0.000 0.980 58 L CA -0.224 54.610 54.840 -0.009 0.000 0.826 58 L CB 1.856 43.907 42.059 -0.013 0.000 1.268 58 L HN 0.784 nan 8.230 nan 0.000 0.407 59 N N 3.740 122.435 118.700 -0.008 0.000 2.546 59 N HA 0.159 4.899 4.740 0.000 0.000 0.238 59 N C 0.971 176.475 175.510 -0.011 0.000 0.984 59 N CA -0.046 52.999 53.050 -0.007 0.000 0.935 59 N CB 1.377 39.861 38.487 -0.005 0.000 1.122 59 N HN 0.613 nan 8.380 nan 0.000 0.510 60 V N 1.653 121.559 119.914 -0.013 0.000 2.720 60 V HA -0.120 4.000 4.120 0.000 0.000 0.256 60 V C 1.692 177.776 176.094 -0.017 0.000 1.082 60 V CA 1.682 63.971 62.300 -0.018 0.000 1.101 60 V CB -1.139 30.672 31.823 -0.019 0.000 0.693 60 V HN 0.488 nan 8.190 nan 0.000 0.479 61 T N 0.158 114.705 114.554 -0.013 0.000 2.867 61 T HA -0.057 4.293 4.350 0.000 0.000 0.268 61 T C 0.696 175.392 174.700 -0.007 0.000 1.057 61 T CA 1.660 63.754 62.100 -0.011 0.000 1.136 61 T CB -0.347 68.516 68.868 -0.009 0.000 0.874 61 T HN 0.777 nan 8.240 nan 0.000 0.466 62 D N 0.350 120.745 120.400 -0.008 0.000 2.280 62 D HA 0.264 4.904 4.640 0.000 0.000 0.236 62 D C -1.930 174.364 176.300 -0.011 0.000 1.082 62 D CA -2.480 51.516 54.000 -0.007 0.000 0.834 62 D CB 1.826 42.623 40.800 -0.005 0.000 1.100 62 D HN -0.129 nan 8.370 nan 0.000 0.486 63 P HA -0.103 nan 4.420 nan 0.000 0.216 63 P C 0.843 178.134 177.300 -0.015 0.000 1.150 63 P CA 1.199 64.289 63.100 -0.016 0.000 0.837 63 P CB 0.208 31.903 31.700 -0.010 0.000 0.786 64 A N -0.938 121.877 122.820 -0.009 0.000 1.969 64 A HA -0.153 4.167 4.320 0.000 0.000 0.218 64 A C 2.472 180.051 177.584 -0.009 0.000 1.169 64 A CA 2.007 54.039 52.037 -0.008 0.000 0.635 64 A CB -1.487 17.510 19.000 -0.005 0.000 0.810 64 A HN 0.190 nan 8.150 nan 0.000 0.445 65 S N -0.527 115.167 115.700 -0.009 0.000 2.371 65 S HA -0.051 4.419 4.470 0.000 0.000 0.224 65 S C 1.897 176.490 174.600 -0.012 0.000 1.029 65 S CA 1.090 59.285 58.200 -0.009 0.000 0.978 65 S CB -0.472 62.723 63.200 -0.008 0.000 0.833 65 S HN 0.492 nan 8.310 nan 0.000 0.466 66 I N 1.593 122.153 120.570 -0.017 0.000 2.179 66 I HA -0.141 4.029 4.170 0.000 0.000 0.242 66 I C 2.546 178.651 176.117 -0.019 0.000 1.088 66 I CA 1.252 62.538 61.300 -0.022 0.000 1.357 66 I CB -0.371 37.608 38.000 -0.034 0.000 1.051 66 I HN 0.277 nan 8.210 nan 0.000 0.409 67 E N 0.240 120.429 120.200 -0.018 0.000 2.110 67 E HA -0.196 4.154 4.350 0.000 0.000 0.193 67 E C 2.230 178.826 176.600 -0.008 0.000 0.988 67 E CA 1.376 57.767 56.400 -0.014 0.000 0.804 67 E CB -0.483 29.209 29.700 -0.014 0.000 0.745 67 E HN 0.366 nan 8.360 nan 0.000 0.458 68 S N 0.326 116.022 115.700 -0.007 0.000 2.355 68 S HA -0.105 4.365 4.470 0.000 0.000 0.222 68 S C 2.159 176.760 174.600 0.002 0.000 1.031 68 S CA 1.171 59.370 58.200 -0.003 0.000 0.993 68 S CB -0.128 63.070 63.200 -0.003 0.000 0.859 68 S HN 0.072 nan 8.310 nan 0.000 0.453 69 V N 2.218 122.133 119.914 0.000 0.000 2.295 69 V HA -0.114 4.006 4.120 0.000 0.000 0.246 69 V C 2.445 178.547 176.094 0.013 0.000 1.049 69 V CA 1.790 64.093 62.300 0.006 0.000 1.024 69 V CB -0.706 31.116 31.823 -0.002 0.000 0.648 69 V HN 0.484 nan 8.190 nan 0.000 0.447 70 L N -0.107 121.119 121.223 0.005 0.000 2.131 70 L HA -0.186 4.154 4.340 0.000 0.000 0.210 70 L C 2.622 179.503 176.870 0.018 0.000 1.092 70 L CA 1.560 56.406 54.840 0.009 0.000 0.759 70 L CB -0.486 41.571 42.059 -0.003 0.000 0.903 70 L HN 0.386 nan 8.230 nan 0.000 0.435 71 E N 0.813 121.020 120.200 0.012 0.000 2.072 71 E HA -0.181 4.169 4.350 0.000 0.000 0.190 71 E C 2.073 178.684 176.600 0.018 0.000 0.982 71 E CA 1.407 57.813 56.400 0.011 0.000 0.803 71 E CB 0.068 29.770 29.700 0.003 0.000 0.755 71 E HN 0.247 nan 8.360 nan 0.000 0.453 72 K N -0.056 120.359 120.400 0.024 0.000 2.057 72 K HA -0.074 4.246 4.320 0.000 0.000 0.207 72 K C 2.239 178.880 176.600 0.069 0.000 1.049 72 K CA 1.523 57.828 56.287 0.031 0.000 0.931 72 K CB -0.220 32.301 32.500 0.035 0.000 0.714 72 K HN 0.222 nan 8.250 nan 0.000 0.440 73 I N 0.619 121.252 120.570 0.105 0.000 2.252 73 I HA -0.268 3.902 4.170 0.000 0.000 0.245 73 I C 2.310 178.528 176.117 0.170 0.000 1.102 73 I CA 1.258 62.680 61.300 0.203 0.000 1.385 73 I CB -0.231 37.847 38.000 0.130 0.000 1.064 73 I HN 0.111 nan 8.210 nan 0.000 0.414 74 R N 0.779 121.329 120.500 0.084 0.000 2.096 74 R HA -0.082 4.258 4.340 0.000 0.000 0.235 74 R C 2.350 178.664 176.300 0.024 0.000 1.127 74 R CA 1.404 57.537 56.100 0.056 0.000 0.968 74 R CB -0.373 29.946 30.300 0.032 0.000 0.861 74 R HN 0.359 nan 8.270 nan 0.000 0.440 75 A N 0.356 123.177 122.820 0.002 0.000 2.067 75 A HA -0.082 4.238 4.320 0.000 0.000 0.217 75 A C 1.477 179.003 177.584 -0.096 0.000 1.156 75 A CA 1.153 53.169 52.037 -0.036 0.000 0.683 75 A CB 0.075 19.055 19.000 -0.032 0.000 0.808 75 A HN 0.150 nan 8.150 nan 0.000 0.455 76 E N -1.989 118.124 120.200 -0.146 0.000 2.290 76 E HA 0.245 4.595 4.350 0.000 0.000 0.199 76 E C 0.951 177.167 176.600 -0.641 0.000 0.912 76 E CA 0.768 56.910 56.400 -0.430 0.000 0.924 76 E CB 0.016 29.358 29.700 -0.596 0.000 0.901 76 E HN 0.624 nan 8.360 nan 0.000 0.487 77 F N -1.288 118.656 119.950 -0.011 0.000 2.577 77 F HA 0.550 5.077 4.527 0.000 0.000 0.276 77 F C 1.223 177.020 175.800 -0.005 0.000 1.032 77 F CA 0.403 58.398 58.000 -0.008 0.000 1.297 77 F CB 0.709 39.703 39.000 -0.010 0.000 1.061 77 F HN 0.120 nan 8.300 nan 0.000 0.680 78 G N -0.008 108.905 108.800 0.187 0.000 2.260 78 G HA2 0.030 3.990 3.960 0.000 0.000 0.250 78 G HA3 0.030 3.990 3.960 0.000 0.000 0.250 78 G C -1.508 173.444 174.900 0.087 0.000 1.340 78 G CA -1.032 44.129 45.100 0.103 0.000 1.056 78 G HN -0.141 nan 8.290 nan 0.000 0.471 79 E N 0.058 120.293 120.200 0.060 0.000 2.301 79 E HA 0.462 4.812 4.350 0.000 0.000 0.275 79 E C 0.236 176.858 176.600 0.037 0.000 1.030 79 E CA -0.467 55.959 56.400 0.043 0.000 0.852 79 E CB 1.981 31.701 29.700 0.034 0.000 1.060 79 E HN 0.429 nan 8.360 nan 0.000 0.401 80 V N 4.024 123.951 119.914 0.022 0.000 2.479 80 V HA -0.043 4.077 4.120 0.000 0.000 0.281 80 V C 1.005 177.109 176.094 0.017 0.000 1.031 80 V CA 0.355 62.658 62.300 0.005 0.000 1.038 80 V CB 0.509 32.326 31.823 -0.010 0.000 0.981 80 V HN 0.589 nan 8.190 nan 0.000 0.478 81 D N 3.912 124.326 120.400 0.023 0.000 2.324 81 D HA 0.221 4.861 4.640 0.000 0.000 0.212 81 D C 0.396 176.723 176.300 0.045 0.000 0.984 81 D CA 0.914 54.952 54.000 0.063 0.000 0.885 81 D CB 0.974 41.832 40.800 0.097 0.000 0.996 81 D HN 0.417 nan 8.370 nan 0.000 0.505 82 I N 1.655 122.223 120.570 -0.003 0.000 2.447 82 I HA 0.222 4.392 4.170 0.000 0.000 0.287 82 I C -1.192 174.892 176.117 -0.056 0.000 1.023 82 I CA -0.932 60.346 61.300 -0.036 0.000 1.083 82 I CB 2.641 40.588 38.000 -0.089 0.000 1.245 82 I HN -0.205 nan 8.210 nan 0.000 0.434 83 L N 8.531 129.727 121.223 -0.045 0.000 2.325 83 L HA 0.654 4.994 4.340 0.000 0.000 0.281 83 L C -1.104 175.741 176.870 -0.042 0.000 1.004 83 L CA -0.394 54.420 54.840 -0.042 0.000 0.823 83 L CB 1.703 43.746 42.059 -0.026 0.000 1.236 83 L HN 0.321 nan 8.230 nan 0.000 0.415 84 V N 5.320 125.206 119.914 -0.047 0.000 2.376 84 V HA 0.477 4.597 4.120 0.000 0.000 0.287 84 V C -0.441 175.636 176.094 -0.029 0.000 1.015 84 V CA -0.741 61.535 62.300 -0.041 0.000 0.834 84 V CB 1.423 33.213 31.823 -0.054 0.000 1.001 84 V HN 0.737 nan 8.190 nan 0.000 0.428 85 N N 4.506 123.195 118.700 -0.018 0.000 2.437 85 N HA 0.186 4.926 4.740 0.000 0.000 0.243 85 N C -0.467 175.033 175.510 -0.017 0.000 1.041 85 N CA 0.012 53.054 53.050 -0.013 0.000 0.940 85 N CB 1.199 39.687 38.487 0.001 0.000 1.133 85 N HN 0.699 nan 8.380 nan 0.000 0.506 86 N N 1.472 120.160 118.700 -0.020 0.000 2.437 86 N HA 0.275 5.015 4.740 0.000 0.000 0.259 86 N C -0.447 175.048 175.510 -0.025 0.000 0.983 86 N CA -0.461 52.575 53.050 -0.023 0.000 0.937 86 N CB 1.229 39.704 38.487 -0.020 0.000 1.122 86 N HN 0.437 nan 8.380 nan 0.000 0.499 87 A N 2.546 125.346 122.820 -0.034 0.000 2.466 87 A HA 0.427 4.747 4.320 0.000 0.000 0.238 87 A C 0.815 178.369 177.584 -0.049 0.000 1.074 87 A CA -0.067 51.944 52.037 -0.044 0.000 0.774 87 A CB 0.252 19.213 19.000 -0.065 0.000 1.015 87 A HN 0.704 nan 8.150 nan 0.000 0.498 88 G N -0.543 108.228 108.800 -0.049 0.000 2.543 88 G HA2 0.494 4.454 3.960 0.000 0.000 0.290 88 G HA3 0.494 4.454 3.960 0.000 0.000 0.290 88 G C -0.117 174.735 174.900 -0.080 0.000 1.310 88 G CA -0.940 44.134 45.100 -0.044 0.000 1.025 88 G HN 0.735 nan 8.290 nan 0.000 0.502 89 I N 1.143 121.679 120.570 -0.056 0.000 2.517 89 I HA 0.134 4.304 4.170 0.000 0.000 0.285 89 I C 1.134 177.192 176.117 -0.099 0.000 1.106 89 I CA -0.007 61.251 61.300 -0.069 0.000 1.402 89 I CB 0.751 38.735 38.000 -0.028 0.000 1.399 89 I HN 0.497 nan 8.210 nan 0.000 0.535 90 T N 4.772 119.200 114.554 -0.211 0.000 2.928 90 T HA 0.542 4.892 4.350 0.000 0.000 0.284 90 T C -0.084 174.578 174.700 -0.063 0.000 1.008 90 T CA -1.024 60.868 62.100 -0.346 0.000 1.057 90 T CB 1.482 69.731 68.868 -1.032 0.000 1.018 90 T HN 0.364 nan 8.240 nan 0.000 0.493 91 R N 2.560 123.161 120.500 0.168 0.000 2.451 91 R HA 0.376 4.716 4.340 0.000 0.000 0.307 91 R C -1.016 175.448 176.300 0.274 0.000 0.965 91 R CA -0.762 55.441 56.100 0.172 0.000 0.865 91 R CB 1.153 31.531 30.300 0.131 0.000 1.174 91 R HN 0.753 nan 8.270 nan 0.000 0.455 92 D N 1.439 121.957 120.400 0.197 0.000 2.364 92 D HA 0.109 4.749 4.640 0.000 0.000 0.236 92 D C 0.291 176.663 176.300 0.120 0.000 1.221 92 D CA 0.634 54.745 54.000 0.186 0.000 0.891 92 D CB 0.759 41.635 40.800 0.127 0.000 1.190 92 D HN 0.452 nan 8.370 nan 0.000 0.449 93 N N -0.659 118.096 118.700 0.091 0.000 3.127 93 N HA 0.210 4.950 4.740 0.000 0.000 0.239 93 N C -1.647 173.891 175.510 0.047 0.000 1.407 93 N CA -0.612 52.469 53.050 0.051 0.000 0.891 93 N CB 0.799 39.300 38.487 0.024 0.000 1.447 93 N HN 0.126 nan 8.380 nan 0.000 0.507 94 L N 2.557 123.802 121.223 0.037 0.000 2.357 94 L HA 0.359 4.699 4.340 0.000 0.000 0.273 94 L C 1.671 178.561 176.870 0.033 0.000 1.080 94 L CA -0.548 54.313 54.840 0.035 0.000 0.803 94 L CB 1.197 43.272 42.059 0.026 0.000 1.174 94 L HN 0.633 nan 8.230 nan 0.000 0.443 95 L N 1.821 123.068 121.223 0.040 0.000 1.989 95 L HA -0.189 4.151 4.340 0.000 0.000 0.211 95 L C 2.013 178.888 176.870 0.009 0.000 1.071 95 L CA 1.387 56.255 54.840 0.046 0.000 0.749 95 L CB -0.218 41.870 42.059 0.050 0.000 0.890 95 L HN 0.715 nan 8.230 nan 0.000 0.431 96 M N -0.781 118.817 119.600 -0.004 0.000 2.686 96 M HA -0.084 4.396 4.480 0.000 0.000 0.246 96 M C 1.742 178.033 176.300 -0.015 0.000 1.096 96 M CA 1.104 56.391 55.300 -0.022 0.000 1.076 96 M CB -1.123 31.465 32.600 -0.020 0.000 1.504 96 M HN 0.224 nan 8.290 nan 0.000 0.524 97 R N -0.590 119.909 120.500 -0.001 0.000 2.476 97 R HA 0.280 4.620 4.340 0.000 0.000 0.276 97 R C -0.037 176.268 176.300 0.008 0.000 0.941 97 R CA -0.040 56.061 56.100 0.003 0.000 1.088 97 R CB 0.560 30.866 30.300 0.010 0.000 1.216 97 R HN 0.248 nan 8.270 nan 0.000 0.533 98 M N 1.892 121.500 119.600 0.013 0.000 2.217 98 M HA 0.187 4.667 4.480 0.000 0.000 0.354 98 M C -0.312 176.002 176.300 0.023 0.000 1.225 98 M CA 0.478 55.798 55.300 0.034 0.000 1.137 98 M CB 1.381 34.034 32.600 0.088 0.000 1.576 98 M HN -0.221 nan 8.290 nan 0.000 0.461 99 K N 1.175 121.595 120.400 0.035 0.000 2.095 99 K HA 0.185 4.505 4.320 0.000 0.000 0.252 99 K C 0.394 177.032 176.600 0.062 0.000 0.977 99 K CA -0.721 55.582 56.287 0.026 0.000 0.900 99 K CB 1.025 33.537 32.500 0.021 0.000 1.060 99 K HN 0.523 nan 8.250 nan 0.000 0.449 100 D N 1.379 121.806 120.400 0.044 0.000 2.265 100 D HA -0.196 4.444 4.640 0.000 0.000 0.208 100 D C 1.273 177.645 176.300 0.120 0.000 0.977 100 D CA 1.279 55.331 54.000 0.087 0.000 0.871 100 D CB 0.398 41.219 40.800 0.035 0.000 0.925 100 D HN 0.616 nan 8.370 nan 0.000 0.485 101 E N 0.965 121.208 120.200 0.072 0.000 2.046 101 E HA -0.173 4.177 4.350 0.000 0.000 0.190 101 E C 1.956 178.588 176.600 0.053 0.000 0.982 101 E CA 0.644 57.077 56.400 0.054 0.000 0.800 101 E CB 0.145 29.864 29.700 0.032 0.000 0.756 101 E HN 0.247 nan 8.360 nan 0.000 0.449 102 E N 0.416 120.648 120.200 0.054 0.000 2.051 102 E HA -0.203 4.147 4.350 0.000 0.000 0.192 102 E C 1.908 178.519 176.600 0.018 0.000 0.991 102 E CA 1.122 57.533 56.400 0.018 0.000 0.799 102 E CB -0.425 29.279 29.700 0.007 0.000 0.748 102 E HN 0.475 nan 8.360 nan 0.000 0.449 103 W N 1.830 123.082 121.300 -0.079 0.000 2.318 103 W HA -0.254 4.406 4.660 0.000 0.000 0.313 103 W C 1.565 178.046 176.519 -0.063 0.000 1.221 103 W CA 1.773 59.070 57.345 -0.080 0.000 1.266 103 W CB -0.503 28.921 29.460 -0.061 0.000 1.150 103 W HN 0.155 nan 8.180 nan 0.000 0.496 104 N N 0.855 119.604 118.700 0.083 0.000 2.142 104 N HA -0.169 4.571 4.740 0.000 0.000 0.186 104 N C 1.095 176.546 175.510 -0.099 0.000 1.023 104 N CA 1.983 55.027 53.050 -0.011 0.000 0.852 104 N CB -0.986 37.546 38.487 0.075 0.000 0.998 104 N HN 0.143 nan 8.380 nan 0.000 0.424 105 D N 0.936 121.295 120.400 -0.067 0.000 2.117 105 D HA -0.043 4.597 4.640 0.000 0.000 0.197 105 D C 2.120 178.353 176.300 -0.111 0.000 0.987 105 D CA 0.492 54.452 54.000 -0.067 0.000 0.829 105 D CB -0.253 40.526 40.800 -0.035 0.000 0.961 105 D HN 0.291 nan 8.370 nan 0.000 0.460 106 I N 0.682 121.141 120.570 -0.185 0.000 2.202 106 I HA -0.214 3.956 4.170 0.000 0.000 0.242 106 I C 2.158 178.133 176.117 -0.236 0.000 1.091 106 I CA 0.503 61.676 61.300 -0.212 0.000 1.368 106 I CB -0.072 37.711 38.000 -0.363 0.000 1.058 106 I HN -0.018 nan 8.210 nan 0.000 0.410 107 I N 0.511 120.862 120.570 -0.366 0.000 2.179 107 I HA -0.251 3.919 4.170 0.000 0.000 0.242 107 I C 2.606 178.614 176.117 -0.183 0.000 1.088 107 I CA 1.580 62.683 61.300 -0.329 0.000 1.357 107 I CB -1.321 36.440 38.000 -0.398 0.000 1.051 107 I HN 0.302 nan 8.210 nan 0.000 0.409 108 E N 0.578 120.693 120.200 -0.142 0.000 2.058 108 E HA -0.178 4.172 4.350 0.000 0.000 0.194 108 E C 2.178 178.741 176.600 -0.062 0.000 0.997 108 E CA 1.904 58.256 56.400 -0.081 0.000 0.801 108 E CB -0.163 29.504 29.700 -0.056 0.000 0.746 108 E HN 0.460 nan 8.360 nan 0.000 0.450 109 T N 0.623 115.142 114.554 -0.058 0.000 2.937 109 T HA 0.032 4.382 4.350 0.000 0.000 0.260 109 T C 1.480 176.162 174.700 -0.030 0.000 1.051 109 T CA 0.760 62.840 62.100 -0.032 0.000 1.141 109 T CB -0.079 68.784 68.868 -0.010 0.000 0.879 109 T HN 0.214 nan 8.240 nan 0.000 0.459 110 N N -0.116 118.561 118.700 -0.039 0.000 2.322 110 N HA 0.208 4.948 4.740 0.000 0.000 0.181 110 N C 1.171 176.650 175.510 -0.053 0.000 1.088 110 N CA 0.135 53.169 53.050 -0.027 0.000 0.885 110 N CB 0.419 38.914 38.487 0.014 0.000 1.013 110 N HN 0.112 nan 8.380 nan 0.000 0.472 111 L N -0.215 120.953 121.223 -0.091 0.000 2.777 111 L HA 0.302 4.642 4.340 0.000 0.000 0.172 111 L C 1.845 178.625 176.870 -0.150 0.000 1.179 111 L CA 1.156 55.922 54.840 -0.123 0.000 0.859 111 L CB -0.523 41.447 42.059 -0.148 0.000 1.269 111 L HN -0.223 nan 8.230 nan 0.000 0.511 112 S N 0.116 115.742 115.700 -0.124 0.000 2.400 112 S HA -0.186 4.284 4.470 0.000 0.000 0.232 112 S C 2.015 176.617 174.600 0.003 0.000 1.025 112 S CA 1.533 59.696 58.200 -0.062 0.000 0.993 112 S CB -0.585 62.589 63.200 -0.044 0.000 0.808 112 S HN 0.737 nan 8.310 nan 0.000 0.478 113 S N 1.344 117.024 115.700 -0.034 0.000 2.383 113 S HA -0.048 4.422 4.470 0.000 0.000 0.227 113 S C 1.847 176.421 174.600 -0.042 0.000 1.026 113 S CA 1.083 59.265 58.200 -0.030 0.000 0.981 113 S CB -0.705 62.477 63.200 -0.030 0.000 0.818 113 S HN 0.296 nan 8.310 nan 0.000 0.472 114 V N 1.253 121.136 119.914 -0.052 0.000 2.427 114 V HA -0.065 4.055 4.120 0.000 0.000 0.248 114 V C 2.129 178.193 176.094 -0.049 0.000 1.051 114 V CA 1.904 64.187 62.300 -0.029 0.000 1.048 114 V CB -1.078 30.747 31.823 0.003 0.000 0.666 114 V HN 0.596 nan 8.190 nan 0.000 0.456 115 F N 1.552 121.286 119.950 -0.361 0.000 2.113 115 F HA -0.133 4.394 4.527 0.000 0.000 0.297 115 F C 2.518 178.249 175.800 -0.115 0.000 1.103 115 F CA 1.661 59.409 58.000 -0.420 0.000 1.248 115 F CB -0.346 38.306 39.000 -0.581 0.000 0.999 115 F HN -0.036 nan 8.300 nan 0.000 0.475 116 R N 0.170 120.468 120.500 -0.338 0.000 2.092 116 R HA -0.087 4.253 4.340 0.000 0.000 0.231 116 R C 2.383 178.534 176.300 -0.247 0.000 1.119 116 R CA 1.564 57.441 56.100 -0.372 0.000 0.970 116 R CB -0.637 29.577 30.300 -0.143 0.000 0.864 116 R HN 0.380 nan 8.270 nan 0.000 0.440 117 L N 0.176 121.314 121.223 -0.142 0.000 2.072 117 L HA -0.132 4.208 4.340 0.000 0.000 0.205 117 L C 2.302 179.127 176.870 -0.075 0.000 1.079 117 L CA 1.143 55.931 54.840 -0.086 0.000 0.752 117 L CB -0.207 41.825 42.059 -0.046 0.000 0.906 117 L HN 0.151 nan 8.230 nan 0.000 0.436 118 S N -0.413 115.260 115.700 -0.046 0.000 2.382 118 S HA -0.247 4.223 4.470 0.000 0.000 0.228 118 S C 1.909 176.479 174.600 -0.051 0.000 1.027 118 S CA 1.415 59.619 58.200 0.007 0.000 0.991 118 S CB -0.155 63.140 63.200 0.157 0.000 0.823 118 S HN 0.294 nan 8.310 nan 0.000 0.469 119 K N 1.274 121.577 120.400 -0.161 0.000 2.057 119 K HA 0.005 4.325 4.320 0.000 0.000 0.206 119 K C 2.158 178.681 176.600 -0.127 0.000 1.050 119 K CA 1.074 57.243 56.287 -0.196 0.000 0.935 119 K CB -0.291 31.943 32.500 -0.443 0.000 0.715 119 K HN 0.310 nan 8.250 nan 0.000 0.439 120 A N 0.469 123.215 122.820 -0.124 0.000 2.015 120 A HA -0.078 4.242 4.320 0.000 0.000 0.219 120 A C 1.957 179.512 177.584 -0.048 0.000 1.163 120 A CA 1.583 53.572 52.037 -0.080 0.000 0.646 120 A CB -0.298 18.657 19.000 -0.075 0.000 0.806 120 A HN 0.294 nan 8.150 nan 0.000 0.448 121 V N -4.995 114.894 119.914 -0.042 0.000 3.644 121 V HA 0.105 4.225 4.120 0.000 0.000 0.267 121 V C 1.871 177.955 176.094 -0.017 0.000 1.277 121 V CA 0.569 62.855 62.300 -0.024 0.000 1.096 121 V CB -0.307 31.504 31.823 -0.020 0.000 0.828 121 V HN 0.267 nan 8.190 nan 0.000 0.446 122 M N 0.847 120.433 119.600 -0.022 0.000 2.117 122 M HA -0.044 4.436 4.480 0.000 0.000 0.262 122 M C 2.406 178.701 176.300 -0.009 0.000 1.065 122 M CA 1.720 57.011 55.300 -0.016 0.000 1.114 122 M CB -0.974 31.616 32.600 -0.017 0.000 1.361 122 M HN 0.386 nan 8.290 nan 0.000 0.408 123 R N 0.044 120.539 120.500 -0.009 0.000 2.073 123 R HA -0.026 4.314 4.340 0.000 0.000 0.234 123 R C 2.200 178.502 176.300 0.004 0.000 1.134 123 R CA 1.690 57.788 56.100 -0.003 0.000 0.952 123 R CB -1.643 28.655 30.300 -0.004 0.000 0.850 123 R HN 0.434 nan 8.270 nan 0.000 0.433 124 A N 1.010 123.833 122.820 0.005 0.000 1.933 124 A HA -0.134 4.186 4.320 0.000 0.000 0.218 124 A C 2.341 179.938 177.584 0.022 0.000 1.175 124 A CA 1.615 53.660 52.037 0.014 0.000 0.628 124 A CB -0.437 18.572 19.000 0.015 0.000 0.814 124 A HN 0.216 nan 8.150 nan 0.000 0.444 125 M N -1.350 118.261 119.600 0.018 0.000 2.086 125 M HA -0.149 4.331 4.480 0.000 0.000 0.261 125 M C 2.392 178.706 176.300 0.024 0.000 1.067 125 M CA 1.817 57.132 55.300 0.025 0.000 1.116 125 M CB -0.437 32.166 32.600 0.004 0.000 1.348 125 M HN 0.418 nan 8.290 nan 0.000 0.407 126 M N -0.281 119.326 119.600 0.011 0.000 2.159 126 M HA -0.215 4.265 4.480 0.000 0.000 0.263 126 M C 1.991 178.303 176.300 0.020 0.000 1.063 126 M CA 1.669 56.975 55.300 0.011 0.000 1.110 126 M CB -0.440 32.162 32.600 0.004 0.000 1.374 126 M HN 0.136 nan 8.290 nan 0.000 0.411 127 K N 0.598 121.010 120.400 0.020 0.000 2.032 127 K HA -0.167 4.153 4.320 0.000 0.000 0.209 127 K C 1.747 178.365 176.600 0.029 0.000 1.048 127 K CA 1.455 57.755 56.287 0.021 0.000 0.927 127 K CB -0.139 32.372 32.500 0.018 0.000 0.712 127 K HN 0.296 nan 8.250 nan 0.000 0.441 128 K N 0.107 120.531 120.400 0.041 0.000 2.459 128 K HA 0.060 4.380 4.320 0.000 0.000 0.193 128 K C 0.131 176.780 176.600 0.080 0.000 1.030 128 K CA 0.031 56.352 56.287 0.055 0.000 1.026 128 K CB 0.288 32.829 32.500 0.069 0.000 0.809 128 K HN -0.063 nan 8.250 nan 0.000 0.504 129 R N 0.978 121.519 120.500 0.069 0.000 3.641 129 R HA -0.183 4.157 4.340 0.000 0.000 0.286 129 R C -1.211 175.166 176.300 0.128 0.000 1.153 129 R CA 0.728 56.870 56.100 0.070 0.000 0.775 129 R CB -2.222 28.114 30.300 0.059 0.000 1.215 129 R HN 0.484 nan 8.270 nan 0.000 0.474 130 H N -1.857 117.216 119.070 0.005 0.000 3.123 130 H HA 0.580 5.136 4.556 0.000 0.000 0.346 130 H C -0.475 174.856 175.328 0.005 0.000 1.138 130 H CA 0.153 56.204 56.048 0.006 0.000 1.273 130 H CB 1.658 31.426 29.762 0.011 0.000 1.926 130 H HN 0.326 nan 8.280 nan 0.000 0.524 131 G N 3.361 111.956 108.800 -0.341 0.000 2.579 131 G HA2 0.425 4.385 3.960 0.000 0.000 0.292 131 G HA3 0.425 4.385 3.960 0.000 0.000 0.292 131 G C -1.838 172.946 174.900 -0.195 0.000 1.484 131 G CA -0.836 44.177 45.100 -0.144 0.000 0.813 131 G HN 0.419 nan 8.290 nan 0.000 0.515 132 R N 0.252 120.699 120.500 -0.089 0.000 2.538 132 R HA 0.529 4.869 4.340 0.000 0.000 0.292 132 R C -1.258 175.011 176.300 -0.053 0.000 1.008 132 R CA -0.677 55.376 56.100 -0.078 0.000 0.896 132 R CB 2.093 32.368 30.300 -0.042 0.000 1.187 132 R HN 0.499 nan 8.270 nan 0.000 0.440 133 I N 4.897 125.435 120.570 -0.053 0.000 2.439 133 I HA 0.460 4.630 4.170 0.000 0.000 0.285 133 I C -0.367 175.731 176.117 -0.032 0.000 1.021 133 I CA -0.560 60.720 61.300 -0.033 0.000 1.091 133 I CB 1.753 39.740 38.000 -0.020 0.000 1.242 133 I HN 0.386 nan 8.210 nan 0.000 0.439 134 I N 5.269 125.823 120.570 -0.027 0.000 2.466 134 I HA 0.385 4.555 4.170 0.000 0.000 0.289 134 I C -0.388 175.721 176.117 -0.014 0.000 1.026 134 I CA -0.365 60.920 61.300 -0.025 0.000 1.078 134 I CB 2.307 40.288 38.000 -0.031 0.000 1.249 134 I HN 0.416 nan 8.210 nan 0.000 0.429 135 T N 6.477 121.027 114.554 -0.007 0.000 2.797 135 T HA 0.567 4.917 4.350 0.000 0.000 0.279 135 T C -0.310 174.378 174.700 -0.019 0.000 0.991 135 T CA -0.382 61.717 62.100 -0.002 0.000 0.979 135 T CB 1.446 70.330 68.868 0.026 0.000 0.943 135 T HN 0.119 nan 8.240 nan 0.000 0.444 136 I N 2.945 123.501 120.570 -0.024 0.000 2.331 136 I HA 0.467 4.637 4.170 0.000 0.000 0.292 136 I C 1.107 177.198 176.117 -0.044 0.000 0.998 136 I CA -0.020 61.258 61.300 -0.037 0.000 1.267 136 I CB 1.086 39.065 38.000 -0.035 0.000 1.386 136 I HN 0.750 nan 8.210 nan 0.000 0.476 137 G N 3.779 112.545 108.800 -0.056 0.000 2.616 137 G HA2 0.390 4.350 3.960 0.000 0.000 0.268 137 G HA3 0.390 4.350 3.960 0.000 0.000 0.268 137 G C -0.353 174.500 174.900 -0.079 0.000 1.213 137 G CA -0.489 44.574 45.100 -0.062 0.000 0.926 137 G HN 0.554 nan 8.290 nan 0.000 0.523 138 S N -0.831 114.810 115.700 -0.100 0.000 2.565 138 S HA 0.334 4.804 4.470 0.000 0.000 0.276 138 S C 0.775 175.298 174.600 -0.129 0.000 1.326 138 S CA -0.574 57.542 58.200 -0.139 0.000 1.045 138 S CB 1.329 64.393 63.200 -0.227 0.000 0.918 138 S HN 0.900 nan 8.310 nan 0.000 0.505 139 V N 2.069 121.912 119.914 -0.119 0.000 3.185 139 V HA 0.499 4.619 4.120 0.000 0.000 0.305 139 V C 0.404 176.414 176.094 -0.140 0.000 1.090 139 V CA -0.566 61.667 62.300 -0.111 0.000 1.107 139 V CB 0.226 32.013 31.823 -0.060 0.000 1.061 139 V HN 0.548 nan 8.190 nan 0.000 0.480 148 Q N -1.683 118.196 119.800 0.132 0.000 2.452 148 Q HA -0.318 4.022 4.340 0.000 0.000 0.248 148 Q C 1.912 178.047 176.000 0.225 0.000 0.874 148 Q CA 1.209 57.143 55.803 0.219 0.000 1.208 148 Q CB -1.508 27.297 28.738 0.113 0.000 1.569 148 Q HN 1.535 nan 8.270 nan 0.000 0.579 149 A N 1.503 124.408 122.820 0.141 0.000 2.032 149 A HA -0.259 4.061 4.320 0.000 0.000 0.221 149 A C 1.681 179.322 177.584 0.094 0.000 1.165 149 A CA 1.821 53.923 52.037 0.107 0.000 0.645 149 A CB -0.472 18.577 19.000 0.082 0.000 0.807 149 A HN 0.720 nan 8.150 nan 0.000 0.453 150 N N -1.713 117.018 118.700 0.052 0.000 2.515 150 N HA -0.087 4.653 4.740 0.000 0.000 0.185 150 N C 0.765 176.101 175.510 -0.290 0.000 1.109 150 N CA 1.055 54.044 53.050 -0.102 0.000 0.903 150 N CB -0.495 37.865 38.487 -0.211 0.000 0.969 150 N HN 0.629 nan 8.380 nan 0.000 0.450 151 Y N 0.054 120.349 120.300 -0.008 0.000 2.442 151 Y HA 0.480 5.030 4.550 0.000 0.000 0.250 151 Y C 2.426 178.297 175.900 -0.048 0.000 1.113 151 Y CA 0.014 58.083 58.100 -0.051 0.000 1.273 151 Y CB 0.155 38.592 38.460 -0.039 0.000 1.138 151 Y HN 0.083 nan 8.280 nan 0.000 0.522 152 A N 0.898 123.789 122.820 0.119 0.000 1.892 152 A HA -0.264 4.056 4.320 0.000 0.000 0.218 152 A C 2.415 180.028 177.584 0.048 0.000 1.188 152 A CA 2.297 54.383 52.037 0.081 0.000 0.631 152 A CB -1.107 17.944 19.000 0.085 0.000 0.822 152 A HN 0.403 nan 8.150 nan 0.000 0.447 153 A N -0.551 122.287 122.820 0.029 0.000 1.933 153 A HA 0.180 4.500 4.320 0.000 0.000 0.218 153 A C 2.478 180.033 177.584 -0.049 0.000 1.175 153 A CA 2.113 54.159 52.037 0.014 0.000 0.628 153 A CB -0.893 18.125 19.000 0.031 0.000 0.814 153 A HN 1.095 nan 8.150 nan 0.000 0.444 154 A N -0.468 122.292 122.820 -0.100 0.000 1.929 154 A HA -0.071 4.249 4.320 0.000 0.000 0.216 154 A C 2.121 179.692 177.584 -0.023 0.000 1.176 154 A CA 1.753 53.733 52.037 -0.094 0.000 0.628 154 A CB -0.377 18.554 19.000 -0.115 0.000 0.816 154 A HN 0.521 nan 8.150 nan 0.000 0.444 155 K N -0.229 120.178 120.400 0.012 0.000 2.025 155 K HA -0.068 4.252 4.320 0.000 0.000 0.207 155 K C 2.148 178.761 176.600 0.023 0.000 1.049 155 K CA 1.192 57.491 56.287 0.020 0.000 0.933 155 K CB -0.297 32.219 32.500 0.028 0.000 0.714 155 K HN 0.351 nan 8.250 nan 0.000 0.438 156 A N 0.555 123.392 122.820 0.028 0.000 1.930 156 A HA -0.038 4.282 4.320 0.000 0.000 0.217 156 A C 2.304 179.911 177.584 0.038 0.000 1.175 156 A CA 1.733 53.791 52.037 0.035 0.000 0.627 156 A CB -0.982 18.041 19.000 0.039 0.000 0.815 156 A HN 0.542 nan 8.150 nan 0.000 0.443 157 G N -0.388 108.429 108.800 0.028 0.000 2.422 157 G HA2 -0.076 3.884 3.960 0.000 0.000 0.218 157 G HA3 -0.076 3.884 3.960 0.000 0.000 0.218 157 G C 1.446 176.391 174.900 0.075 0.000 1.140 157 G CA 1.101 46.222 45.100 0.035 0.000 0.775 157 G HN 0.452 nan 8.290 nan 0.000 0.545 158 L N 0.685 121.944 121.223 0.061 0.000 2.056 158 L HA 0.135 4.475 4.340 0.000 0.000 0.207 158 L C 2.624 179.577 176.870 0.138 0.000 1.078 158 L CA 1.327 56.231 54.840 0.106 0.000 0.749 158 L CB -0.341 41.750 42.059 0.054 0.000 0.901 158 L HN 0.236 nan 8.230 nan 0.000 0.433 159 I N -0.697 119.918 120.570 0.074 0.000 2.315 159 I HA -0.190 3.980 4.170 0.000 0.000 0.248 159 I C 2.419 178.566 176.117 0.049 0.000 1.117 159 I CA 1.198 62.526 61.300 0.046 0.000 1.404 159 I CB -1.008 37.008 38.000 0.025 0.000 1.071 159 I HN 0.417 nan 8.210 nan 0.000 0.419 160 G N 0.681 109.522 108.800 0.068 0.000 2.418 160 G HA2 -0.308 3.652 3.960 0.000 0.000 0.217 160 G HA3 -0.308 3.652 3.960 0.000 0.000 0.217 160 G C 1.589 176.534 174.900 0.075 0.000 1.158 160 G CA 0.434 45.569 45.100 0.059 0.000 0.771 160 G HN 0.344 nan 8.290 nan 0.000 0.545 161 F N 2.219 122.166 119.950 -0.006 0.000 2.134 161 F HA -0.039 4.488 4.527 0.000 0.000 0.299 161 F C 2.810 178.617 175.800 0.011 0.000 1.097 161 F CA 1.748 59.750 58.000 0.004 0.000 1.264 161 F CB -0.331 38.678 39.000 0.014 0.000 1.001 161 F HN 0.141 nan 8.300 nan 0.000 0.479 162 S N 0.464 116.092 115.700 -0.120 0.000 2.368 162 S HA -0.188 4.282 4.470 0.000 0.000 0.225 162 S C 1.927 176.404 174.600 -0.205 0.000 1.030 162 S CA 1.489 59.566 58.200 -0.205 0.000 0.999 162 S CB -0.308 62.870 63.200 -0.037 0.000 0.844 162 S HN 0.389 nan 8.310 nan 0.000 0.459 163 K N 0.842 121.168 120.400 -0.123 0.000 2.057 163 K HA -0.023 4.297 4.320 0.000 0.000 0.207 163 K C 2.539 179.061 176.600 -0.131 0.000 1.049 163 K CA 1.269 57.495 56.287 -0.103 0.000 0.931 163 K CB -0.299 32.167 32.500 -0.056 0.000 0.714 163 K HN 0.206 nan 8.250 nan 0.000 0.440 164 S N 1.071 116.678 115.700 -0.155 0.000 2.355 164 S HA -0.105 4.365 4.470 0.000 0.000 0.222 164 S C 1.900 176.376 174.600 -0.207 0.000 1.031 164 S CA 0.840 58.951 58.200 -0.149 0.000 0.993 164 S CB -0.156 62.977 63.200 -0.112 0.000 0.859 164 S HN 0.223 nan 8.310 nan 0.000 0.453 165 L N 1.834 122.833 121.223 -0.373 0.000 2.093 165 L HA 0.147 4.487 4.340 0.000 0.000 0.208 165 L C 2.418 179.157 176.870 -0.218 0.000 1.085 165 L CA 1.927 56.550 54.840 -0.362 0.000 0.755 165 L CB -1.070 40.603 42.059 -0.644 0.000 0.904 165 L HN 0.314 nan 8.230 nan 0.000 0.435 166 A N -0.220 122.477 122.820 -0.204 0.000 1.908 166 A HA -0.241 4.079 4.320 0.000 0.000 0.218 166 A C 2.405 179.918 177.584 -0.118 0.000 1.181 166 A CA 1.951 53.900 52.037 -0.146 0.000 0.627 166 A CB -0.562 18.358 19.000 -0.133 0.000 0.818 166 A HN 0.531 nan 8.150 nan 0.000 0.445 167 R N -0.910 119.524 120.500 -0.110 0.000 2.115 167 R HA -0.083 4.257 4.340 0.000 0.000 0.226 167 R C 2.194 178.453 176.300 -0.070 0.000 1.100 167 R CA 1.275 57.324 56.100 -0.084 0.000 0.980 167 R CB -0.202 30.056 30.300 -0.071 0.000 0.875 167 R HN 0.783 nan 8.270 nan 0.000 0.445 168 E N 0.844 120.998 120.200 -0.077 0.000 2.112 168 E HA -0.108 4.242 4.350 0.000 0.000 0.190 168 E C 1.506 178.077 176.600 -0.048 0.000 0.979 168 E CA 1.239 57.606 56.400 -0.055 0.000 0.814 168 E CB 0.402 30.070 29.700 -0.053 0.000 0.762 168 E HN 0.253 nan 8.360 nan 0.000 0.460 169 V N -2.792 117.084 119.914 -0.063 0.000 3.578 169 V HA 0.445 4.565 4.120 0.000 0.000 0.290 169 V C 1.723 177.783 176.094 -0.056 0.000 1.376 169 V CA 0.531 62.800 62.300 -0.053 0.000 1.083 169 V CB 0.354 32.142 31.823 -0.057 0.000 0.911 169 V HN 0.237 nan 8.190 nan 0.000 0.433 170 A N 2.244 125.025 122.820 -0.064 0.000 1.908 170 A HA -0.161 4.159 4.320 0.000 0.000 0.218 170 A C 2.483 180.043 177.584 -0.040 0.000 1.181 170 A CA 2.430 54.428 52.037 -0.066 0.000 0.627 170 A CB -0.924 18.027 19.000 -0.081 0.000 0.818 170 A HN 1.040 nan 8.150 nan 0.000 0.445 171 S N -0.930 114.754 115.700 -0.026 0.000 2.474 171 S HA -0.071 4.399 4.470 0.000 0.000 0.235 171 S C 1.618 176.216 174.600 -0.004 0.000 0.997 171 S CA 0.787 58.982 58.200 -0.008 0.000 0.949 171 S CB -0.229 62.968 63.200 -0.005 0.000 0.766 171 S HN 0.481 nan 8.310 nan 0.000 0.517 172 R N 1.017 121.509 120.500 -0.014 0.000 2.297 172 R HA 0.274 4.614 4.340 0.000 0.000 0.197 172 R C 1.596 177.891 176.300 -0.009 0.000 0.943 172 R CA 0.530 56.625 56.100 -0.008 0.000 1.038 172 R CB -1.028 29.264 30.300 -0.012 0.000 0.957 172 R HN 0.659 nan 8.270 nan 0.000 0.484 173 G N 1.166 109.951 108.800 -0.025 0.000 2.130 173 G HA2 -0.215 3.745 3.960 0.000 0.000 0.216 173 G HA3 -0.215 3.745 3.960 0.000 0.000 0.216 173 G C -0.020 174.801 174.900 -0.131 0.000 0.999 173 G CA -0.251 44.821 45.100 -0.046 0.000 0.686 173 G HN 0.242 nan 8.290 nan 0.000 0.515 174 I N 1.794 122.298 120.570 -0.110 0.000 2.404 174 I HA 0.540 4.710 4.170 0.000 0.000 0.293 174 I C 0.632 176.674 176.117 -0.125 0.000 0.992 174 I CA -0.477 60.742 61.300 -0.135 0.000 1.149 174 I CB 2.083 40.029 38.000 -0.090 0.000 1.315 174 I HN 0.241 nan 8.210 nan 0.000 0.446 175 T N 3.022 117.492 114.554 -0.139 0.000 2.855 175 T HA 0.730 5.080 4.350 0.000 0.000 0.281 175 T C -0.603 174.035 174.700 -0.104 0.000 1.007 175 T CA -0.714 61.314 62.100 -0.120 0.000 1.009 175 T CB 1.853 70.647 68.868 -0.123 0.000 0.983 175 T HN 0.221 nan 8.240 nan 0.000 0.455 176 V N 4.059 123.913 119.914 -0.100 0.000 2.443 176 V HA 0.551 4.671 4.120 0.000 0.000 0.293 176 V C -0.612 175.435 176.094 -0.079 0.000 1.021 176 V CA -0.866 61.381 62.300 -0.088 0.000 0.848 176 V CB 1.180 32.935 31.823 -0.113 0.000 0.998 176 V HN 0.943 nan 8.190 nan 0.000 0.424 177 N N 2.527 121.192 118.700 -0.060 0.000 2.509 177 N HA 0.766 5.506 4.740 0.000 0.000 0.280 177 N C -1.426 174.060 175.510 -0.039 0.000 1.306 177 N CA -0.460 52.560 53.050 -0.051 0.000 0.782 177 N CB 2.753 41.212 38.487 -0.047 0.000 1.493 177 N HN 0.332 nan 8.380 nan 0.000 0.498 178 V N 0.970 120.856 119.914 -0.047 0.000 2.709 178 V HA 0.434 4.554 4.120 0.000 0.000 0.308 178 V C -0.477 175.569 176.094 -0.081 0.000 1.062 178 V CA -0.753 61.514 62.300 -0.055 0.000 0.901 178 V CB 2.202 33.988 31.823 -0.061 0.000 1.003 178 V HN 0.336 nan 8.190 nan 0.000 0.425 179 V N 3.577 123.447 119.914 -0.072 0.000 2.384 179 V HA 0.722 4.842 4.120 0.000 0.000 0.287 179 V C 0.346 176.374 176.094 -0.109 0.000 1.020 179 V CA -0.440 61.812 62.300 -0.080 0.000 0.850 179 V CB 1.680 33.483 31.823 -0.033 0.000 0.987 179 V HN 0.990 nan 8.190 nan 0.000 0.436 180 A N 8.326 131.040 122.820 -0.176 0.000 2.412 180 A HA 0.748 5.068 4.320 0.000 0.000 0.334 180 A C -2.359 175.177 177.584 -0.078 0.000 1.419 180 A CA -1.547 50.393 52.037 -0.161 0.000 0.930 180 A CB 0.368 19.190 19.000 -0.298 0.000 1.149 180 A HN 0.584 nan 8.150 nan 0.000 0.515 181 P HA 0.310 nan 4.420 nan 0.000 0.277 181 P C 0.532 177.787 177.300 -0.075 0.000 1.240 181 P CA 0.211 63.284 63.100 -0.045 0.000 0.798 181 P CB 1.712 33.386 31.700 -0.044 0.000 0.979 182 G N 1.083 109.837 108.800 -0.077 0.000 3.365 182 G HA2 0.330 4.290 3.960 0.000 0.000 0.185 182 G HA3 0.330 4.290 3.960 0.000 0.000 0.185 182 G C -0.754 174.006 174.900 -0.233 0.000 1.565 182 G CA -0.611 44.371 45.100 -0.197 0.000 0.984 182 G HN 0.389 nan 8.290 nan 0.000 0.604 183 F N 1.417 121.370 119.950 0.006 0.000 2.438 183 F HA 0.399 4.926 4.527 0.000 0.000 0.360 183 F C 0.045 175.843 175.800 -0.004 0.000 1.118 183 F CA -0.320 57.678 58.000 -0.002 0.000 1.164 183 F CB 0.885 39.885 39.000 -0.001 0.000 1.131 183 F HN -0.158 nan 8.300 nan 0.000 0.527 184 I N 2.394 123.055 120.570 0.152 0.000 2.530 184 I HA 0.201 4.371 4.170 0.000 0.000 0.297 184 I C -0.003 176.157 176.117 0.071 0.000 1.011 184 I CA -1.185 60.165 61.300 0.083 0.000 1.107 184 I CB 1.630 39.650 38.000 0.033 0.000 1.285 184 I HN 0.408 nan 8.210 nan 0.000 0.436 185 E N 3.910 124.137 120.200 0.046 0.000 2.415 185 E HA 0.266 4.616 4.350 0.000 0.000 0.260 185 E C -0.332 176.279 176.600 0.018 0.000 1.016 185 E CA 0.314 56.731 56.400 0.029 0.000 0.924 185 E CB 0.446 30.155 29.700 0.015 0.000 0.961 185 E HN 0.769 nan 8.360 nan 0.000 0.459 186 T N 0.463 115.027 114.554 0.017 0.000 2.778 186 T HA 0.282 4.632 4.350 0.000 0.000 0.293 186 T C 0.383 175.086 174.700 0.005 0.000 1.144 186 T CA -0.842 61.262 62.100 0.007 0.000 1.010 186 T CB 0.886 69.759 68.868 0.007 0.000 1.325 186 T HN 0.214 nan 8.240 nan 0.000 0.515 187 D N -0.201 120.199 120.400 0.001 0.000 2.218 187 D HA -0.065 4.575 4.640 0.000 0.000 0.204 187 D C 1.712 178.015 176.300 0.005 0.000 0.976 187 D CA 0.919 54.920 54.000 0.001 0.000 0.853 187 D CB -0.063 40.737 40.800 0.000 0.000 0.939 187 D HN 0.509 nan 8.370 nan 0.000 0.481 188 M N 0.664 120.269 119.600 0.008 0.000 2.099 188 M HA -0.158 4.322 4.480 0.000 0.000 0.262 188 M C 2.133 178.442 176.300 0.016 0.000 1.067 188 M CA 1.715 57.023 55.300 0.013 0.000 1.124 188 M CB -0.090 32.519 32.600 0.016 0.000 1.353 188 M HN 0.016 nan 8.290 nan 0.000 0.410 189 T N -2.109 112.457 114.554 0.020 0.000 2.985 189 T HA -0.025 4.325 4.350 0.000 0.000 0.266 189 T C 1.733 176.434 174.700 0.002 0.000 1.076 189 T CA 0.665 62.774 62.100 0.015 0.000 1.135 189 T CB -0.494 68.389 68.868 0.026 0.000 0.890 189 T HN 0.461 nan 8.240 nan 0.000 0.480 190 R N 0.883 121.385 120.500 0.003 0.000 2.237 190 R HA 0.250 4.590 4.340 0.000 0.000 0.219 190 R C 2.613 178.911 176.300 -0.003 0.000 1.080 190 R CA 0.936 57.035 56.100 -0.002 0.000 0.995 190 R CB -0.337 29.962 30.300 -0.001 0.000 0.875 190 R HN 0.547 nan 8.270 nan 0.000 0.462 191 A N 0.733 123.553 122.820 0.000 0.000 2.081 191 A HA 0.061 4.381 4.320 0.000 0.000 0.214 191 A C 0.620 178.202 177.584 -0.002 0.000 1.158 191 A CA 0.088 52.125 52.037 0.000 0.000 0.724 191 A CB 0.043 19.045 19.000 0.004 0.000 0.826 191 A HN 0.009 nan 8.150 nan 0.000 0.463 192 L N 1.102 122.322 121.223 -0.004 0.000 2.503 192 L HA 0.089 4.429 4.340 0.000 0.000 0.287 192 L C 1.319 178.181 176.870 -0.013 0.000 1.252 192 L CA 0.517 55.351 54.840 -0.010 0.000 0.835 192 L CB -0.012 42.036 42.059 -0.018 0.000 1.099 192 L HN 0.425 nan 8.230 nan 0.000 0.516 193 S N -0.257 115.434 115.700 -0.014 0.000 2.669 193 S HA 0.241 4.711 4.470 0.000 0.000 0.270 193 S C 0.638 175.225 174.600 -0.021 0.000 1.225 193 S CA -0.727 57.464 58.200 -0.015 0.000 0.991 193 S CB 0.806 63.998 63.200 -0.012 0.000 0.987 193 S HN 0.567 nan 8.310 nan 0.000 0.552 194 D N 0.736 121.124 120.400 -0.020 0.000 2.263 194 D HA -0.100 4.540 4.640 0.000 0.000 0.208 194 D C 1.095 177.378 176.300 -0.029 0.000 0.971 194 D CA 1.068 55.053 54.000 -0.024 0.000 0.867 194 D CB -0.211 40.577 40.800 -0.019 0.000 0.929 194 D HN 0.583 nan 8.370 nan 0.000 0.492 195 D N 0.744 121.129 120.400 -0.025 0.000 2.085 195 D HA -0.101 4.539 4.640 0.000 0.000 0.199 195 D C 2.083 178.362 176.300 -0.035 0.000 0.981 195 D CA 0.714 54.699 54.000 -0.026 0.000 0.834 195 D CB -0.129 40.660 40.800 -0.018 0.000 0.992 195 D HN 0.284 nan 8.370 nan 0.000 0.457 196 Q N 0.505 120.285 119.800 -0.033 0.000 2.084 196 Q HA -0.136 4.204 4.340 0.000 0.000 0.202 196 Q C 2.287 178.247 176.000 -0.068 0.000 0.978 196 Q CA 1.002 56.780 55.803 -0.041 0.000 0.844 196 Q CB 0.006 28.727 28.738 -0.029 0.000 0.898 196 Q HN 0.127 nan 8.270 nan 0.000 0.426 197 R N 0.263 120.724 120.500 -0.064 0.000 2.070 197 R HA -0.138 4.202 4.340 0.000 0.000 0.233 197 R C 2.239 178.479 176.300 -0.100 0.000 1.137 197 R CA 1.284 57.333 56.100 -0.085 0.000 0.945 197 R CB -0.311 29.954 30.300 -0.059 0.000 0.845 197 R HN 0.254 nan 8.270 nan 0.000 0.430 198 A N 0.052 122.829 122.820 -0.071 0.000 1.948 198 A HA -0.135 4.186 4.320 0.000 0.000 0.220 198 A C 2.294 179.829 177.584 -0.082 0.000 1.177 198 A CA 1.899 53.896 52.037 -0.066 0.000 0.636 198 A CB -1.263 17.710 19.000 -0.045 0.000 0.815 198 A HN 0.596 nan 8.150 nan 0.000 0.449 199 G N -0.490 108.259 108.800 -0.084 0.000 2.422 199 G HA2 -0.098 3.862 3.960 0.000 0.000 0.218 199 G HA3 -0.098 3.862 3.960 0.000 0.000 0.218 199 G C 1.494 176.306 174.900 -0.147 0.000 1.140 199 G CA 1.011 46.058 45.100 -0.088 0.000 0.775 199 G HN 0.496 nan 8.290 nan 0.000 0.545 200 I N -0.200 120.234 120.570 -0.227 0.000 2.193 200 I HA -0.052 4.118 4.170 0.000 0.000 0.240 200 I C 2.505 178.373 176.117 -0.415 0.000 1.084 200 I CA 0.259 61.286 61.300 -0.456 0.000 1.365 200 I CB -0.172 37.485 38.000 -0.571 0.000 1.064 200 I HN 0.045 nan 8.210 nan 0.000 0.410 201 L N 1.067 122.135 121.223 -0.258 0.000 2.043 201 L HA -0.228 4.112 4.340 0.000 0.000 0.212 201 L C 2.645 179.453 176.870 -0.103 0.000 1.075 201 L CA 2.116 56.862 54.840 -0.157 0.000 0.752 201 L CB -1.240 40.760 42.059 -0.097 0.000 0.891 201 L HN 0.237 nan 8.230 nan 0.000 0.432 202 A N -1.574 121.190 122.820 -0.094 0.000 2.131 202 A HA -0.244 4.076 4.320 0.000 0.000 0.220 202 A C 2.127 179.692 177.584 -0.032 0.000 1.158 202 A CA 1.562 53.568 52.037 -0.052 0.000 0.665 202 A CB -0.450 18.522 19.000 -0.046 0.000 0.795 202 A HN 0.629 nan 8.150 nan 0.000 0.460 203 Q N -0.973 118.798 119.800 -0.049 0.000 2.408 203 Q HA 0.158 4.498 4.340 0.000 0.000 0.205 203 Q C -0.543 175.509 176.000 0.087 0.000 0.919 203 Q CA 0.091 55.911 55.803 0.030 0.000 0.932 203 Q CB 0.551 29.333 28.738 0.073 0.000 1.058 203 Q HN 0.406 nan 8.270 nan 0.000 0.517 204 V N 2.146 122.091 119.914 0.051 0.000 2.328 204 V HA 0.123 4.243 4.120 0.000 0.000 0.278 204 V C -1.832 174.289 176.094 0.044 0.000 1.021 204 V CA -1.349 61.004 62.300 0.089 0.000 0.838 204 V CB 1.360 33.248 31.823 0.109 0.000 0.999 204 V HN -0.005 nan 8.190 nan 0.000 0.447 205 P HA -0.177 nan 4.420 nan 0.000 0.217 205 P C 1.504 178.816 177.300 0.019 0.000 1.148 205 P CA 1.578 64.693 63.100 0.024 0.000 0.828 205 P CB 0.295 32.008 31.700 0.023 0.000 0.783 206 A N -0.819 122.017 122.820 0.027 0.000 2.172 206 A HA 0.212 4.532 4.320 0.000 0.000 0.216 206 A C 1.760 179.352 177.584 0.014 0.000 1.154 206 A CA 1.174 53.224 52.037 0.021 0.000 0.701 206 A CB -1.538 17.478 19.000 0.028 0.000 0.789 206 A HN 0.271 nan 8.150 nan 0.000 0.465 207 G N -0.644 108.163 108.800 0.011 0.000 2.160 207 G HA2 -0.284 3.676 3.960 0.000 0.000 0.251 207 G HA3 -0.284 3.676 3.960 0.000 0.000 0.251 207 G C 0.134 175.032 174.900 -0.005 0.000 1.008 207 G CA 0.875 45.974 45.100 -0.002 0.000 0.724 207 G HN 1.435 nan 8.290 nan 0.000 0.514 208 R N -1.880 118.624 120.500 0.006 0.000 2.728 208 R HA 0.718 5.058 4.340 0.000 0.000 0.274 208 R C -0.849 175.467 176.300 0.027 0.000 1.030 208 R CA -1.322 54.782 56.100 0.005 0.000 0.876 208 R CB 0.687 30.992 30.300 0.008 0.000 1.259 208 R HN 0.164 nan 8.270 nan 0.000 0.468 209 L N 0.900 122.139 121.223 0.026 0.000 2.379 209 L HA 0.548 4.888 4.340 0.000 0.000 0.269 209 L C 0.901 177.804 176.870 0.056 0.000 1.084 209 L CA -0.629 54.248 54.840 0.061 0.000 0.802 209 L CB 1.385 43.472 42.059 0.047 0.000 1.175 209 L HN 0.911 nan 8.230 nan 0.000 0.448 210 G N 0.179 109.022 108.800 0.072 0.000 2.507 210 G HA2 0.494 4.454 3.960 0.000 0.000 0.271 210 G HA3 0.494 4.454 3.960 0.000 0.000 0.271 210 G C -0.148 174.771 174.900 0.032 0.000 1.189 210 G CA -0.280 44.848 45.100 0.046 0.000 0.859 210 G HN 0.738 nan 8.290 nan 0.000 0.542 211 G N -1.227 107.584 108.800 0.020 0.000 2.412 211 G HA2 0.532 4.492 3.960 0.000 0.000 0.318 211 G HA3 0.532 4.492 3.960 0.000 0.000 0.318 211 G C 1.048 175.952 174.900 0.005 0.000 1.146 211 G CA 0.431 45.537 45.100 0.010 0.000 0.882 211 G HN 0.972 nan 8.290 nan 0.000 0.501 212 A N 0.510 123.328 122.820 -0.003 0.000 1.978 212 A HA -0.133 4.187 4.320 0.000 0.000 0.220 212 A C 2.200 179.779 177.584 -0.009 0.000 1.170 212 A CA 2.174 54.205 52.037 -0.010 0.000 0.636 212 A CB -0.392 18.595 19.000 -0.022 0.000 0.810 212 A HN 0.600 nan 8.150 nan 0.000 0.448 213 Q N 0.279 120.074 119.800 -0.008 0.000 2.226 213 Q HA -0.149 4.191 4.340 0.000 0.000 0.204 213 Q C 1.714 177.718 176.000 0.008 0.000 0.975 213 Q CA 2.009 57.810 55.803 -0.003 0.000 0.866 213 Q CB -0.379 28.357 28.738 -0.004 0.000 0.915 213 Q HN 0.777 nan 8.270 nan 0.000 0.440 214 E N -0.757 119.448 120.200 0.009 0.000 2.150 214 E HA -0.146 4.204 4.350 0.000 0.000 0.193 214 E C 1.574 178.185 176.600 0.019 0.000 0.985 214 E CA 0.897 57.305 56.400 0.014 0.000 0.814 214 E CB -0.010 29.698 29.700 0.014 0.000 0.752 214 E HN 0.332 nan 8.360 nan 0.000 0.466 215 I N 1.121 121.698 120.570 0.013 0.000 2.353 215 I HA -0.157 4.013 4.170 0.000 0.000 0.248 215 I C 2.301 178.430 176.117 0.019 0.000 1.119 215 I CA 0.886 62.194 61.300 0.012 0.000 1.417 215 I CB -0.548 37.451 38.000 -0.002 0.000 1.078 215 I HN -0.010 nan 8.210 nan 0.000 0.421 216 A N 0.423 123.252 122.820 0.015 0.000 1.972 216 A HA -0.188 4.132 4.320 0.000 0.000 0.219 216 A C 2.100 179.714 177.584 0.049 0.000 1.169 216 A CA 1.693 53.742 52.037 0.019 0.000 0.635 216 A CB -0.675 18.329 19.000 0.006 0.000 0.810 216 A HN 0.428 nan 8.150 nan 0.000 0.446 217 N N 0.562 119.294 118.700 0.054 0.000 2.142 217 N HA -0.088 4.652 4.740 0.000 0.000 0.186 217 N C 1.890 177.476 175.510 0.126 0.000 1.023 217 N CA 1.535 54.634 53.050 0.081 0.000 0.852 217 N CB -0.565 37.954 38.487 0.053 0.000 0.998 217 N HN 0.466 nan 8.380 nan 0.000 0.424 218 A N 0.769 123.652 122.820 0.104 0.000 1.898 218 A HA -0.052 4.268 4.320 0.000 0.000 0.216 218 A C 2.516 180.206 177.584 0.177 0.000 1.181 218 A CA 1.163 53.290 52.037 0.150 0.000 0.620 218 A CB -0.711 18.344 19.000 0.091 0.000 0.819 218 A HN 0.095 nan 8.150 nan 0.000 0.442 219 V N -0.086 119.888 119.914 0.101 0.000 2.295 219 V HA -0.238 3.882 4.120 0.000 0.000 0.246 219 V C 3.066 179.213 176.094 0.090 0.000 1.049 219 V CA 1.893 64.231 62.300 0.063 0.000 1.024 219 V CB -1.254 30.578 31.823 0.014 0.000 0.648 219 V HN 0.606 nan 8.190 nan 0.000 0.447 220 A N -0.297 122.600 122.820 0.129 0.000 1.940 220 A HA -0.264 4.056 4.320 0.000 0.000 0.219 220 A C 2.112 179.889 177.584 0.321 0.000 1.176 220 A CA 2.165 54.336 52.037 0.224 0.000 0.631 220 A CB -0.716 18.425 19.000 0.236 0.000 0.814 220 A HN 0.552 nan 8.150 nan 0.000 0.446 221 F N 0.620 120.650 119.950 0.133 0.000 2.075 221 F HA -0.110 4.417 4.527 0.000 0.000 0.297 221 F C 1.834 177.697 175.800 0.104 0.000 1.113 221 F CA 1.714 59.776 58.000 0.103 0.000 1.218 221 F CB -0.481 38.555 39.000 0.060 0.000 0.984 221 F HN 0.128 nan 8.300 nan 0.000 0.472 222 L N 0.007 121.117 121.223 -0.188 0.000 2.191 222 L HA -0.142 4.199 4.340 0.000 0.000 0.212 222 L C 2.621 179.402 176.870 -0.147 0.000 1.103 222 L CA 1.013 55.687 54.840 -0.275 0.000 0.769 222 L CB -1.035 40.980 42.059 -0.073 0.000 0.908 222 L HN 0.295 nan 8.230 nan 0.000 0.438 223 A N -0.499 122.326 122.820 0.008 0.000 2.067 223 A HA -0.009 4.311 4.320 0.000 0.000 0.217 223 A C 1.591 179.363 177.584 0.314 0.000 1.156 223 A CA 0.720 52.833 52.037 0.125 0.000 0.683 223 A CB -0.299 18.744 19.000 0.072 0.000 0.808 223 A HN 0.456 nan 8.150 nan 0.000 0.455 224 S N -0.430 115.389 115.700 0.198 0.000 2.641 224 S HA 0.162 4.632 4.470 0.000 0.000 0.261 224 S C 0.252 174.823 174.600 -0.049 0.000 1.257 224 S CA -0.018 58.182 58.200 -0.000 0.000 0.983 224 S CB 0.461 63.571 63.200 -0.150 0.000 0.990 224 S HN 0.276 nan 8.310 nan 0.000 0.572 225 D N 0.139 120.500 120.400 -0.064 0.000 2.349 225 D HA 0.057 4.697 4.640 0.000 0.000 0.224 225 D C 1.165 177.443 176.300 -0.036 0.000 1.029 225 D CA 0.457 54.452 54.000 -0.008 0.000 0.879 225 D CB -0.011 40.792 40.800 0.005 0.000 0.906 225 D HN 0.668 nan 8.370 nan 0.000 0.528 226 E N 0.082 120.237 120.200 -0.076 0.000 2.435 226 E HA 0.059 4.409 4.350 0.000 0.000 0.195 226 E C 0.999 177.547 176.600 -0.087 0.000 1.029 226 E CA 0.047 56.436 56.400 -0.019 0.000 0.865 226 E CB 0.444 30.206 29.700 0.105 0.000 0.833 226 E HN 0.065 nan 8.360 nan 0.000 0.510 227 A N 0.396 123.058 122.820 -0.263 0.000 2.637 227 A HA 0.488 4.808 4.320 0.000 0.000 0.293 227 A C 1.612 179.127 177.584 -0.116 0.000 1.216 227 A CA 0.204 52.063 52.037 -0.297 0.000 0.956 227 A CB 0.186 18.778 19.000 -0.679 0.000 1.174 227 A HN 0.176 nan 8.150 nan 0.000 0.525 228 A N -1.039 121.762 122.820 -0.032 0.000 2.070 228 A HA -0.101 4.219 4.320 0.000 0.000 0.220 228 A C 1.530 179.168 177.584 0.091 0.000 1.159 228 A CA 1.415 53.460 52.037 0.014 0.000 0.656 228 A CB -0.475 18.554 19.000 0.049 0.000 0.800 228 A HN 0.634 nan 8.150 nan 0.000 0.453 229 Y N -0.507 119.766 120.300 -0.045 0.000 2.485 229 Y HA 0.430 4.980 4.550 0.000 0.000 0.260 229 Y C 0.077 175.963 175.900 -0.023 0.000 1.173 229 Y CA -1.153 56.932 58.100 -0.026 0.000 1.252 229 Y CB 0.107 38.563 38.460 -0.006 0.000 1.123 229 Y HN 0.136 nan 8.280 nan 0.000 0.524 230 I N 0.627 121.181 120.570 -0.027 0.000 2.330 230 I HA 0.307 4.477 4.170 0.000 0.000 0.289 230 I C -0.033 176.021 176.117 -0.105 0.000 1.001 230 I CA -0.236 61.026 61.300 -0.063 0.000 1.193 230 I CB 1.438 39.431 38.000 -0.012 0.000 1.345 230 I HN -0.119 nan 8.210 nan 0.000 0.461 231 T N 3.452 117.929 114.554 -0.129 0.000 2.932 231 T HA 0.526 4.876 4.350 0.000 0.000 0.318 231 T C 0.328 174.964 174.700 -0.107 0.000 1.265 231 T CA 0.295 62.323 62.100 -0.120 0.000 1.036 231 T CB 1.459 70.243 68.868 -0.141 0.000 1.209 231 T HN 0.944 nan 8.240 nan 0.000 0.484 232 G N 2.477 111.221 108.800 -0.093 0.000 2.143 232 G HA2 -0.177 3.783 3.960 0.000 0.000 0.248 232 G HA3 -0.177 3.783 3.960 0.000 0.000 0.248 232 G C -0.129 174.736 174.900 -0.057 0.000 0.991 232 G CA 0.743 45.794 45.100 -0.082 0.000 0.689 232 G HN 0.869 nan 8.290 nan 0.000 0.522 233 E N 0.312 120.483 120.200 -0.049 0.000 2.214 233 E HA 0.702 5.052 4.350 0.000 0.000 0.274 233 E C -0.083 176.496 176.600 -0.034 0.000 0.977 233 E CA -0.280 56.105 56.400 -0.026 0.000 0.827 233 E CB 0.967 30.663 29.700 -0.007 0.000 1.130 233 E HN 0.038 nan 8.360 nan 0.000 0.394 234 T N 4.513 119.047 114.554 -0.034 0.000 2.821 234 T HA 0.306 4.656 4.350 0.000 0.000 0.307 234 T C -0.967 173.649 174.700 -0.140 0.000 1.034 234 T CA -0.546 61.484 62.100 -0.117 0.000 0.953 234 T CB 0.127 68.907 68.868 -0.146 0.000 0.968 234 T HN 0.342 nan 8.240 nan 0.000 0.462 235 L N 5.494 126.646 121.223 -0.120 0.000 2.261 235 L HA 0.404 4.744 4.340 0.000 0.000 0.289 235 L C -0.513 176.286 176.870 -0.118 0.000 1.059 235 L CA -0.346 54.469 54.840 -0.042 0.000 0.816 235 L CB -0.305 41.773 42.059 0.032 0.000 1.191 235 L HN 0.583 nan 8.230 nan 0.000 0.431 236 H N 3.432 122.507 119.070 0.008 0.000 2.580 236 H HA 0.476 5.032 4.556 0.000 0.000 0.322 236 H C -0.450 174.877 175.328 -0.003 0.000 1.082 236 H CA -0.314 55.731 56.048 -0.005 0.000 1.383 236 H CB 1.180 30.936 29.762 -0.011 0.000 1.450 236 H HN 0.365 nan 8.280 nan 0.000 0.505 237 V N 4.279 124.244 119.914 0.085 0.000 2.266 237 V HA 0.141 4.261 4.120 0.000 0.000 0.266 237 V C 0.320 176.441 176.094 0.045 0.000 1.036 237 V CA -0.535 61.796 62.300 0.053 0.000 0.828 237 V CB -0.084 31.756 31.823 0.028 0.000 1.081 237 V HN 1.031 nan 8.190 nan 0.000 0.449 238 N N 2.070 120.803 118.700 0.054 0.000 2.184 238 N HA 0.199 4.939 4.740 0.000 0.000 0.234 238 N C 1.131 176.675 175.510 0.056 0.000 1.282 238 N CA 0.069 53.144 53.050 0.041 0.000 0.877 238 N CB 1.321 39.820 38.487 0.020 0.000 1.184 238 N HN 0.657 nan 8.380 nan 0.000 0.510 239 G N 0.608 109.437 108.800 0.048 0.000 2.258 239 G HA2 -0.181 3.779 3.960 0.000 0.000 0.274 239 G HA3 -0.181 3.779 3.960 0.000 0.000 0.274 239 G C 0.987 175.912 174.900 0.042 0.000 1.021 239 G CA 0.647 45.774 45.100 0.046 0.000 0.798 239 G HN 1.163 nan 8.290 nan 0.000 0.507 240 G N -1.484 107.334 108.800 0.031 0.000 2.254 240 G HA2 -0.209 3.751 3.960 0.000 0.000 0.225 240 G HA3 -0.209 3.751 3.960 0.000 0.000 0.225 240 G C 0.771 175.685 174.900 0.022 0.000 1.003 240 G CA 0.923 46.035 45.100 0.020 0.000 0.622 240 G HN 1.410 nan 8.290 nan 0.000 0.507 241 M N 0.000 119.628 119.600 0.047 0.000 2.572 241 M HA 0.000 4.480 4.480 0.000 0.000 0.227 241 M CA 0.000 55.336 55.300 0.059 0.000 0.988 241 M CB 0.000 32.679 32.600 0.132 0.000 1.302 241 M HN 0.000 nan 8.290 nan 0.000 0.411