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 2gf2_1_C DATA FIRST_RESID 41 DATA SEQUENCE PVGFIGLGNM GNPMAKNLMK HGYPLIIYDV FPDACKEFQD AGEQVVSSPA DATA SEQUENCE DVAEKADRII TMLPTSINAI EAYSGANGIL KKVKKGSLLI DSSTIDPAVS DATA SEQUENCE KELAKEVEKM GAVFMDAPVS GGVGAARSGN LTFMVGGVED EFAAAQELLG DATA SEQUENCE CMGSNVVYCG AVGTGQAAKI CNNMLLAISM IGTAEAMNLG IRLGLDPKLL DATA SEQUENCE AKILNMSSGR CWSSDTYNPV PGVMDGVPSA NNYQGGFGTT LMAKDLGLAQ DATA SEQUENCE DSATSTKSPI LLGSLAHQIY RMMCAKGYSK KDFSSVFQFL R 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 41 P HA 0.000 nan 4.420 nan 0.000 0.216 41 P C 0.000 177.345 177.300 0.075 0.000 1.155 41 P CA 0.000 63.157 63.100 0.096 0.000 0.800 41 P CB 0.000 31.738 31.700 0.064 0.000 0.726 42 V N 0.433 120.392 119.914 0.074 0.000 2.513 42 V HA 0.792 4.912 4.120 0.000 0.000 0.299 42 V C 0.740 176.854 176.094 0.033 0.000 1.035 42 V CA -0.265 62.042 62.300 0.010 0.000 0.889 42 V CB 1.756 33.539 31.823 -0.067 0.000 0.988 42 V HN 0.819 nan 8.190 nan 0.000 0.440 43 G N 2.469 111.268 108.800 -0.001 0.000 2.415 43 G HA2 0.560 4.520 3.960 0.000 0.000 0.269 43 G HA3 0.560 4.520 3.960 0.000 0.000 0.269 43 G C -1.144 173.772 174.900 0.028 0.000 1.209 43 G CA -0.113 44.993 45.100 0.011 0.000 0.835 43 G HN 0.727 nan 8.290 nan 0.000 0.534 44 F N 1.589 121.497 119.950 -0.070 0.000 2.562 44 F HA 0.561 5.088 4.527 0.000 0.000 0.319 44 F C -0.460 175.300 175.800 -0.066 0.000 1.154 44 F CA -0.986 56.963 58.000 -0.085 0.000 0.931 44 F CB 1.832 40.752 39.000 -0.133 0.000 1.198 44 F HN 0.255 nan 8.300 nan 0.000 0.444 45 I N 4.768 125.339 120.570 0.002 0.000 2.382 45 I HA 0.663 4.833 4.170 0.000 0.000 0.286 45 I C -0.064 176.114 176.117 0.101 0.000 1.002 45 I CA -0.671 60.682 61.300 0.089 0.000 1.135 45 I CB 1.666 39.691 38.000 0.041 0.000 1.288 45 I HN 0.787 nan 8.210 nan 0.000 0.448 46 G N 6.246 115.117 108.800 0.119 0.000 3.383 46 G HA2 -0.110 3.850 3.960 0.000 0.000 0.685 46 G HA3 -0.110 3.850 3.960 0.000 0.000 0.685 46 G C -0.855 174.144 174.900 0.164 0.000 1.104 46 G CA -0.937 44.222 45.100 0.099 0.000 0.957 46 G HN 0.574 nan 8.290 nan 0.000 0.461 47 L N 2.877 124.127 121.223 0.045 0.000 2.999 47 L HA 0.490 4.830 4.340 0.000 0.000 0.263 47 L C 1.509 178.405 176.870 0.043 0.000 1.320 47 L CA -0.070 54.780 54.840 0.016 0.000 0.913 47 L CB 0.442 42.457 42.059 -0.074 0.000 1.296 47 L HN 0.741 nan 8.230 nan 0.000 0.546 48 G N -0.912 107.913 108.800 0.041 0.000 2.485 48 G HA2 0.109 4.069 3.960 0.000 0.000 0.260 48 G HA3 0.109 4.069 3.960 0.000 0.000 0.260 48 G C 1.026 175.955 174.900 0.048 0.000 1.459 48 G CA 0.349 45.462 45.100 0.021 0.000 1.060 48 G HN 0.361 nan 8.290 nan 0.000 0.546 49 N N -1.090 117.634 118.700 0.040 0.000 2.430 49 N HA -0.093 4.647 4.740 0.000 0.000 0.186 49 N C 1.935 177.485 175.510 0.067 0.000 1.032 49 N CA 1.958 55.039 53.050 0.053 0.000 0.893 49 N CB -0.281 38.236 38.487 0.049 0.000 0.957 49 N HN 0.361 nan 8.380 nan 0.000 0.442 50 M N -1.111 118.533 119.600 0.074 0.000 2.858 50 M HA 0.214 4.694 4.480 0.000 0.000 0.255 50 M C 2.735 179.104 176.300 0.116 0.000 1.336 50 M CA 1.029 56.382 55.300 0.088 0.000 1.220 50 M CB -1.037 31.613 32.600 0.082 0.000 1.252 50 M HN 0.366 nan 8.290 nan 0.000 0.538 51 G N 1.501 110.387 108.800 0.143 0.000 2.440 51 G HA2 -0.285 3.675 3.960 0.000 0.000 0.218 51 G HA3 -0.285 3.675 3.960 0.000 0.000 0.218 51 G C 1.434 176.277 174.900 -0.095 0.000 1.154 51 G CA 1.273 46.486 45.100 0.188 0.000 0.767 51 G HN 0.472 nan 8.290 nan 0.000 0.552 52 N N 1.375 120.084 118.700 0.015 0.000 2.013 52 N HA -0.098 4.642 4.740 0.000 0.000 0.195 52 N C 0.013 175.590 175.510 0.111 0.000 1.051 52 N CA 1.910 55.044 53.050 0.139 0.000 0.851 52 N CB -0.854 37.751 38.487 0.196 0.000 1.044 52 N HN 0.202 nan 8.380 nan 0.000 0.422 53 P HA -0.086 nan 4.420 nan 0.000 0.220 53 P C 1.673 179.003 177.300 0.051 0.000 1.148 53 P CA 1.189 64.326 63.100 0.062 0.000 0.803 53 P CB -0.137 31.602 31.700 0.065 0.000 0.782 54 M N -0.269 119.349 119.600 0.029 0.000 2.099 54 M HA -0.083 4.397 4.480 0.000 0.000 0.262 54 M C 2.380 178.628 176.300 -0.086 0.000 1.067 54 M CA 2.066 57.408 55.300 0.071 0.000 1.124 54 M CB -0.927 31.832 32.600 0.266 0.000 1.353 54 M HN -0.096 nan 8.290 nan 0.000 0.410 55 A N 0.467 122.988 122.820 -0.499 0.000 1.933 55 A HA -0.179 4.142 4.320 0.000 0.000 0.218 55 A C 2.098 179.654 177.584 -0.047 0.000 1.175 55 A CA 1.712 53.401 52.037 -0.581 0.000 0.628 55 A CB -0.548 17.852 19.000 -0.999 0.000 0.814 55 A HN 0.427 nan 8.150 nan 0.000 0.444 56 K N -0.372 120.079 120.400 0.084 0.000 2.097 56 K HA -0.115 4.206 4.320 0.000 0.000 0.206 56 K C 1.575 178.244 176.600 0.116 0.000 1.049 56 K CA 1.294 57.657 56.287 0.126 0.000 0.933 56 K CB -0.196 32.351 32.500 0.078 0.000 0.717 56 K HN 0.372 nan 8.250 nan 0.000 0.442 57 N N 1.023 119.795 118.700 0.121 0.000 2.309 57 N HA -0.078 4.662 4.740 0.000 0.000 0.182 57 N C 1.736 177.409 175.510 0.271 0.000 1.018 57 N CA 0.825 53.988 53.050 0.188 0.000 0.876 57 N CB -0.054 38.539 38.487 0.177 0.000 0.972 57 N HN 0.146 nan 8.380 nan 0.000 0.434 58 L N 0.313 121.654 121.223 0.197 0.000 2.093 58 L HA -0.035 4.305 4.340 0.000 0.000 0.208 58 L C 2.224 179.295 176.870 0.336 0.000 1.085 58 L CA 0.849 55.844 54.840 0.258 0.000 0.755 58 L CB -0.272 41.870 42.059 0.139 0.000 0.904 58 L HN 0.138 nan 8.230 nan 0.000 0.435 59 M N -0.746 118.987 119.600 0.221 0.000 2.175 59 M HA -0.188 4.292 4.480 0.000 0.000 0.264 59 M C 2.109 178.486 176.300 0.129 0.000 1.063 59 M CA 1.576 56.980 55.300 0.173 0.000 1.119 59 M CB -0.395 32.289 32.600 0.140 0.000 1.377 59 M HN 0.071 nan 8.290 nan 0.000 0.415 60 K N -0.471 120.007 120.400 0.129 0.000 2.280 60 K HA -0.147 4.173 4.320 0.000 0.000 0.202 60 K C 1.165 177.742 176.600 -0.039 0.000 1.047 60 K CA 1.087 57.399 56.287 0.041 0.000 0.942 60 K CB -0.132 32.389 32.500 0.035 0.000 0.739 60 K HN 0.417 nan 8.250 nan 0.000 0.457 61 H N -1.585 117.532 119.070 0.078 0.000 2.539 61 H HA 0.137 4.693 4.556 0.000 0.000 0.269 61 H C 0.875 176.133 175.328 -0.115 0.000 0.980 61 H CA 0.643 56.713 56.048 0.037 0.000 1.152 61 H CB 1.027 30.883 29.762 0.157 0.000 1.407 61 H HN 0.374 nan 8.280 nan 0.000 0.564 62 G N -0.430 108.373 108.800 0.005 0.000 2.159 62 G HA2 -0.282 3.678 3.960 0.000 0.000 0.227 62 G HA3 -0.282 3.678 3.960 0.000 0.000 0.227 62 G C -0.514 174.305 174.900 -0.135 0.000 0.986 62 G CA -0.508 44.533 45.100 -0.098 0.000 0.651 62 G HN 0.285 nan 8.290 nan 0.000 0.523 63 Y N 1.446 121.790 120.300 0.073 0.000 2.393 63 Y HA 0.459 5.009 4.550 0.000 0.000 0.338 63 Y C -1.637 174.296 175.900 0.056 0.000 1.029 63 Y CA -1.916 56.219 58.100 0.058 0.000 1.239 63 Y CB 0.813 39.309 38.460 0.060 0.000 1.170 63 Y HN 0.020 nan 8.280 nan 0.000 0.515 64 P HA 0.145 nan 4.420 nan 0.000 0.271 64 P C -1.090 176.296 177.300 0.144 0.000 1.216 64 P CA -0.170 63.010 63.100 0.133 0.000 0.776 64 P CB 0.759 32.516 31.700 0.094 0.000 0.881 65 L N 3.715 125.008 121.223 0.116 0.000 2.362 65 L HA 0.481 4.822 4.340 0.000 0.000 0.271 65 L C -0.259 176.655 176.870 0.074 0.000 1.002 65 L CA -0.293 54.606 54.840 0.098 0.000 0.818 65 L CB 1.523 43.632 42.059 0.084 0.000 1.298 65 L HN 0.287 nan 8.230 nan 0.000 0.420 66 I N 4.475 125.084 120.570 0.066 0.000 2.355 66 I HA 0.408 4.578 4.170 0.000 0.000 0.288 66 I C -0.674 175.479 176.117 0.060 0.000 0.999 66 I CA -0.338 60.995 61.300 0.055 0.000 1.163 66 I CB 1.164 39.190 38.000 0.042 0.000 1.316 66 I HN 0.244 nan 8.210 nan 0.000 0.454 67 I N 6.672 127.274 120.570 0.054 0.000 2.460 67 I HA 0.386 4.556 4.170 0.000 0.000 0.298 67 I C -0.827 175.369 176.117 0.131 0.000 0.989 67 I CA -0.829 60.491 61.300 0.035 0.000 1.173 67 I CB 1.470 39.425 38.000 -0.074 0.000 1.338 67 I HN 0.469 nan 8.210 nan 0.000 0.456 68 Y N 4.100 124.395 120.300 -0.009 0.000 2.479 68 Y HA 0.545 5.095 4.550 0.000 0.000 0.338 68 Y C -1.585 174.329 175.900 0.023 0.000 1.055 68 Y CA -0.914 57.190 58.100 0.006 0.000 1.023 68 Y CB 1.939 40.398 38.460 -0.001 0.000 1.287 68 Y HN 0.686 nan 8.280 nan 0.000 0.447 69 D N 3.010 122.888 120.400 -0.870 0.000 2.859 69 D HA 0.270 4.910 4.640 0.000 0.000 0.223 69 D C -0.270 175.467 176.300 -0.938 0.000 1.218 69 D CA -0.565 52.998 54.000 -0.729 0.000 0.850 69 D CB 2.514 43.171 40.800 -0.239 0.000 1.656 69 D HN 0.434 nan 8.370 nan 0.000 0.484 70 V N 2.724 122.329 119.914 -0.515 0.000 2.720 70 V HA 0.027 4.147 4.120 0.000 0.000 0.256 70 V C 0.100 176.279 176.094 0.141 0.000 1.082 70 V CA 1.279 63.522 62.300 -0.096 0.000 1.101 70 V CB -0.466 31.437 31.823 0.134 0.000 0.693 70 V HN 0.423 nan 8.190 nan 0.000 0.479 71 F N 2.266 122.123 119.950 -0.154 0.000 2.375 71 F HA 0.420 4.947 4.527 0.000 0.000 0.362 71 F C -0.885 174.867 175.800 -0.081 0.000 1.129 71 F CA -2.997 54.956 58.000 -0.079 0.000 1.154 71 F CB 1.013 39.986 39.000 -0.045 0.000 1.205 71 F HN 0.106 nan 8.300 nan 0.000 0.513 72 P HA -0.152 nan 4.420 nan 0.000 0.220 72 P C 0.782 178.102 177.300 0.033 0.000 1.148 72 P CA 1.240 64.340 63.100 -0.000 0.000 0.803 72 P CB 0.435 32.120 31.700 -0.025 0.000 0.782 73 D N 0.358 120.779 120.400 0.036 0.000 2.178 73 D HA -0.070 4.570 4.640 0.000 0.000 0.202 73 D C 2.028 178.396 176.300 0.114 0.000 0.974 73 D CA 1.327 55.366 54.000 0.065 0.000 0.841 73 D CB -0.738 40.097 40.800 0.058 0.000 0.953 73 D HN 0.135 nan 8.370 nan 0.000 0.478 74 A N -0.536 122.378 122.820 0.156 0.000 2.167 74 A HA -0.048 4.272 4.320 0.000 0.000 0.214 74 A C 2.035 179.741 177.584 0.203 0.000 1.151 74 A CA 0.495 52.631 52.037 0.165 0.000 0.735 74 A CB -0.336 18.750 19.000 0.144 0.000 0.802 74 A HN 0.327 nan 8.150 nan 0.000 0.467 75 C N -1.604 117.788 119.300 0.154 0.000 2.611 75 C HA 0.255 4.715 4.460 0.000 0.000 0.282 75 C C 3.114 178.232 174.990 0.213 0.000 1.321 75 C CA 0.731 59.857 59.018 0.180 0.000 1.747 75 C CB -0.342 27.444 27.740 0.076 0.000 2.124 75 C HN 0.718 nan 8.230 nan 0.000 0.531 76 K N 1.374 121.854 120.400 0.134 0.000 2.103 76 K HA -0.240 4.080 4.320 0.000 0.000 0.207 76 K C 1.723 178.362 176.600 0.064 0.000 1.048 76 K CA 2.102 58.441 56.287 0.085 0.000 0.930 76 K CB -0.865 31.665 32.500 0.050 0.000 0.716 76 K HN 0.718 nan 8.250 nan 0.000 0.444 77 E N -1.240 118.983 120.200 0.038 0.000 2.085 77 E HA -0.152 4.198 4.350 0.000 0.000 0.194 77 E C 1.790 178.270 176.600 -0.199 0.000 0.994 77 E CA 1.576 57.900 56.400 -0.127 0.000 0.801 77 E CB -0.196 29.344 29.700 -0.267 0.000 0.743 77 E HN 0.699 nan 8.360 nan 0.000 0.453 78 F N 0.410 120.358 119.950 -0.003 0.000 2.335 78 F HA -0.003 4.524 4.527 0.000 0.000 0.296 78 F C 2.585 178.390 175.800 0.008 0.000 1.091 78 F CA 0.719 58.717 58.000 -0.003 0.000 1.399 78 F CB -0.206 38.788 39.000 -0.009 0.000 1.067 78 F HN 0.039 nan 8.300 nan 0.000 0.520 79 Q N 0.439 120.349 119.800 0.183 0.000 2.119 79 Q HA -0.181 4.159 4.340 0.000 0.000 0.201 79 Q C 1.153 177.191 176.000 0.063 0.000 0.972 79 Q CA 1.469 57.338 55.803 0.110 0.000 0.847 79 Q CB -0.052 28.740 28.738 0.091 0.000 0.903 79 Q HN 0.234 nan 8.270 nan 0.000 0.433 80 D N -0.526 119.896 120.400 0.036 0.000 2.378 80 D HA -0.069 4.572 4.640 0.000 0.000 0.222 80 D C 0.424 176.725 176.300 0.002 0.000 0.980 80 D CA 0.886 54.891 54.000 0.008 0.000 0.907 80 D CB 0.292 41.084 40.800 -0.014 0.000 0.899 80 D HN 0.312 nan 8.370 nan 0.000 0.527 81 A N -1.066 121.762 122.820 0.013 0.000 2.571 81 A HA 0.552 4.873 4.320 0.000 0.000 0.274 81 A C 1.433 179.038 177.584 0.036 0.000 1.196 81 A CA 0.401 52.443 52.037 0.009 0.000 0.957 81 A CB 0.364 19.351 19.000 -0.022 0.000 1.150 81 A HN 0.102 nan 8.150 nan 0.000 0.539 82 G N -0.628 108.202 108.800 0.049 0.000 2.131 82 G HA2 -0.153 3.807 3.960 0.000 0.000 0.223 82 G HA3 -0.153 3.807 3.960 0.000 0.000 0.223 82 G C -0.170 174.773 174.900 0.070 0.000 0.990 82 G CA 0.283 45.414 45.100 0.051 0.000 0.671 82 G HN 0.586 nan 8.290 nan 0.000 0.521 83 E N -0.208 120.052 120.200 0.100 0.000 2.242 83 E HA 0.535 4.885 4.350 0.000 0.000 0.275 83 E C 0.188 176.845 176.600 0.095 0.000 1.002 83 E CA -0.673 55.794 56.400 0.112 0.000 0.841 83 E CB 1.848 31.649 29.700 0.169 0.000 1.109 83 E HN 0.473 nan 8.360 nan 0.000 0.394 84 Q N 1.113 120.959 119.800 0.077 0.000 2.307 84 Q HA 0.266 4.606 4.340 0.000 0.000 0.259 84 Q C -0.886 175.156 176.000 0.069 0.000 0.998 84 Q CA -0.224 55.619 55.803 0.066 0.000 0.923 84 Q CB 0.910 29.680 28.738 0.053 0.000 1.196 84 Q HN 0.363 nan 8.270 nan 0.000 0.416 85 V N 5.390 125.349 119.914 0.075 0.000 2.407 85 V HA 0.324 4.444 4.120 0.000 0.000 0.278 85 V C 0.332 176.478 176.094 0.087 0.000 1.037 85 V CA -0.434 61.917 62.300 0.085 0.000 0.900 85 V CB 1.164 33.041 31.823 0.090 0.000 0.983 85 V HN 0.625 nan 8.190 nan 0.000 0.459 86 V N 2.467 122.448 119.914 0.111 0.000 3.234 86 V HA 0.673 4.793 4.120 0.000 0.000 0.317 86 V C 0.892 177.078 176.094 0.155 0.000 1.147 86 V CA 0.173 62.530 62.300 0.094 0.000 1.037 86 V CB 1.732 33.583 31.823 0.046 0.000 1.148 86 V HN 0.783 nan 8.190 nan 0.000 0.455 87 S N -0.563 115.181 115.700 0.073 0.000 2.503 87 S HA 0.291 4.761 4.470 0.000 0.000 0.215 87 S C 0.748 175.283 174.600 -0.109 0.000 1.003 87 S CA 0.419 58.667 58.200 0.081 0.000 0.910 87 S CB -0.448 62.774 63.200 0.037 0.000 0.790 87 S HN 1.810 nan 8.310 nan 0.000 0.514 88 S N -0.187 115.295 115.700 -0.363 0.000 2.596 88 S HA 0.611 5.081 4.470 0.000 0.000 0.270 88 S C -2.961 171.217 174.600 -0.703 0.000 1.155 88 S CA -1.212 56.534 58.200 -0.757 0.000 0.827 88 S CB 1.306 64.288 63.200 -0.362 0.000 1.130 88 S HN -0.093 nan 8.310 nan 0.000 0.467 89 P HA 0.013 nan 4.420 nan 0.000 0.216 89 P C 1.604 178.769 177.300 -0.225 0.000 1.150 89 P CA 2.014 64.910 63.100 -0.340 0.000 0.837 89 P CB -0.207 31.332 31.700 -0.267 0.000 0.786 90 A N 0.144 122.840 122.820 -0.208 0.000 1.908 90 A HA -0.237 4.083 4.320 0.000 0.000 0.218 90 A C 1.946 179.465 177.584 -0.109 0.000 1.181 90 A CA 2.206 54.162 52.037 -0.134 0.000 0.627 90 A CB -1.494 17.439 19.000 -0.110 0.000 0.818 90 A HN 0.098 nan 8.150 nan 0.000 0.445 91 D N -0.479 119.847 120.400 -0.123 0.000 2.219 91 D HA -0.063 4.577 4.640 0.000 0.000 0.205 91 D C 1.987 178.253 176.300 -0.056 0.000 0.970 91 D CA 1.116 55.069 54.000 -0.078 0.000 0.851 91 D CB -0.293 40.464 40.800 -0.073 0.000 0.943 91 D HN 0.244 nan 8.370 nan 0.000 0.488 92 V N 1.190 121.062 119.914 -0.071 0.000 2.307 92 V HA -0.202 3.918 4.120 0.000 0.000 0.245 92 V C 2.485 178.551 176.094 -0.046 0.000 1.045 92 V CA 1.770 64.046 62.300 -0.041 0.000 1.024 92 V CB -0.782 31.018 31.823 -0.038 0.000 0.651 92 V HN 0.195 nan 8.190 nan 0.000 0.449 93 A N -0.727 122.053 122.820 -0.067 0.000 2.015 93 A HA -0.230 4.090 4.320 0.000 0.000 0.219 93 A C 2.249 179.811 177.584 -0.036 0.000 1.163 93 A CA 1.691 53.695 52.037 -0.056 0.000 0.646 93 A CB -0.479 18.481 19.000 -0.067 0.000 0.806 93 A HN 0.615 nan 8.150 nan 0.000 0.448 94 E N -0.382 119.797 120.200 -0.035 0.000 2.204 94 E HA -0.138 4.212 4.350 0.000 0.000 0.194 94 E C 1.394 177.986 176.600 -0.013 0.000 0.989 94 E CA 1.133 57.519 56.400 -0.023 0.000 0.824 94 E CB 0.016 29.701 29.700 -0.026 0.000 0.756 94 E HN 0.622 nan 8.360 nan 0.000 0.477 95 K N -1.253 119.141 120.400 -0.011 0.000 2.412 95 K HA 0.279 4.599 4.320 0.000 0.000 0.202 95 K C -0.403 176.199 176.600 0.003 0.000 1.102 95 K CA 0.061 56.348 56.287 -0.000 0.000 1.027 95 K CB 1.728 34.231 32.500 0.006 0.000 0.931 95 K HN -0.076 nan 8.250 nan 0.000 0.557 96 A N 0.899 123.716 122.820 -0.005 0.000 2.356 96 A HA 0.310 4.630 4.320 0.000 0.000 0.310 96 A C -0.571 177.005 177.584 -0.014 0.000 1.075 96 A CA -0.599 51.435 52.037 -0.004 0.000 0.746 96 A CB 1.030 20.026 19.000 -0.006 0.000 1.221 96 A HN -0.005 nan 8.150 nan 0.000 0.443 97 D N 0.689 121.083 120.400 -0.010 0.000 2.339 97 D HA 0.200 4.840 4.640 0.000 0.000 0.217 97 D C 0.851 177.135 176.300 -0.027 0.000 1.050 97 D CA 0.795 54.786 54.000 -0.014 0.000 0.856 97 D CB 0.458 41.255 40.800 -0.006 0.000 0.922 97 D HN 0.750 nan 8.370 nan 0.000 0.518 98 R N 0.655 121.131 120.500 -0.041 0.000 2.514 98 R HA 0.674 5.014 4.340 0.000 0.000 0.296 98 R C -0.871 175.376 176.300 -0.089 0.000 1.012 98 R CA -0.472 55.584 56.100 -0.073 0.000 0.897 98 R CB 0.399 30.641 30.300 -0.097 0.000 1.184 98 R HN -0.002 nan 8.270 nan 0.000 0.440 99 I N 2.750 123.256 120.570 -0.107 0.000 2.582 99 I HA 0.557 4.727 4.170 0.000 0.000 0.292 99 I C -0.559 175.435 176.117 -0.205 0.000 1.066 99 I CA -1.089 60.127 61.300 -0.140 0.000 1.053 99 I CB 2.414 40.338 38.000 -0.127 0.000 1.241 99 I HN 0.558 nan 8.210 nan 0.000 0.421 100 I N 4.540 124.911 120.570 -0.332 0.000 2.354 100 I HA 0.357 4.527 4.170 0.000 0.000 0.292 100 I C 0.025 175.787 176.117 -0.593 0.000 0.989 100 I CA -0.295 60.709 61.300 -0.494 0.000 1.188 100 I CB 1.991 39.567 38.000 -0.707 0.000 1.342 100 I HN 0.573 nan 8.210 nan 0.000 0.457 101 T N 3.430 117.788 114.554 -0.326 0.000 2.797 101 T HA 0.686 5.036 4.350 0.000 0.000 0.279 101 T C -0.474 174.142 174.700 -0.140 0.000 0.991 101 T CA -0.717 61.264 62.100 -0.198 0.000 0.979 101 T CB 1.714 70.603 68.868 0.036 0.000 0.943 101 T HN 0.410 nan 8.240 nan 0.000 0.444 102 M N 4.272 123.819 119.600 -0.088 0.000 1.980 102 M HA 0.555 5.035 4.480 0.000 0.000 0.282 102 M C -2.169 174.172 176.300 0.068 0.000 0.878 102 M CA -0.980 54.339 55.300 0.030 0.000 0.900 102 M CB 0.013 32.698 32.600 0.141 0.000 1.577 102 M HN 0.709 nan 8.290 nan 0.000 0.396 103 L N 5.373 126.633 121.223 0.062 0.000 2.341 103 L HA 0.690 5.030 4.340 0.000 0.000 0.267 103 L C -1.635 175.260 176.870 0.041 0.000 1.009 103 L CA -1.694 53.180 54.840 0.057 0.000 0.819 103 L CB 1.953 44.058 42.059 0.077 0.000 1.323 103 L HN 0.394 nan 8.230 nan 0.000 0.425 104 P HA 0.023 nan 4.420 nan 0.000 0.225 104 P C -0.291 177.015 177.300 0.011 0.000 1.156 104 P CA 0.850 63.956 63.100 0.010 0.000 0.787 104 P CB 0.318 32.012 31.700 -0.011 0.000 0.802 105 T N -2.798 111.768 114.554 0.019 0.000 2.864 105 T HA 0.242 4.592 4.350 0.000 0.000 0.299 105 T C 0.913 175.627 174.700 0.024 0.000 1.166 105 T CA -0.490 61.619 62.100 0.015 0.000 1.007 105 T CB 1.556 70.431 68.868 0.011 0.000 1.219 105 T HN -0.374 nan 8.240 nan 0.000 0.506 106 S N 0.834 116.542 115.700 0.013 0.000 2.365 106 S HA -0.136 4.334 4.470 0.000 0.000 0.225 106 S C 2.206 176.818 174.600 0.020 0.000 1.039 106 S CA 1.964 60.170 58.200 0.010 0.000 1.033 106 S CB -0.719 62.479 63.200 -0.005 0.000 0.887 106 S HN 0.749 nan 8.310 nan 0.000 0.447 107 I N 0.839 121.421 120.570 0.020 0.000 2.179 107 I HA -0.180 3.990 4.170 0.000 0.000 0.242 107 I C 1.806 177.950 176.117 0.046 0.000 1.088 107 I CA 1.734 63.050 61.300 0.027 0.000 1.357 107 I CB -0.838 37.176 38.000 0.022 0.000 1.051 107 I HN 0.183 nan 8.210 nan 0.000 0.409 108 N N 1.603 120.334 118.700 0.050 0.000 2.166 108 N HA -0.131 4.609 4.740 0.000 0.000 0.186 108 N C 2.069 177.641 175.510 0.102 0.000 1.019 108 N CA 1.245 54.336 53.050 0.069 0.000 0.856 108 N CB -0.262 38.258 38.487 0.056 0.000 0.993 108 N HN 0.514 nan 8.380 nan 0.000 0.426 109 A N 1.777 124.662 122.820 0.108 0.000 1.858 109 A HA -0.135 4.185 4.320 0.000 0.000 0.216 109 A C 2.229 179.948 177.584 0.226 0.000 1.190 109 A CA 1.304 53.447 52.037 0.177 0.000 0.617 109 A CB -0.857 18.216 19.000 0.122 0.000 0.827 109 A HN 0.472 nan 8.150 nan 0.000 0.443 110 I N -2.260 118.377 120.570 0.111 0.000 2.394 110 I HA -0.115 4.055 4.170 0.000 0.000 0.251 110 I C 2.026 178.212 176.117 0.114 0.000 1.136 110 I CA 2.345 63.697 61.300 0.086 0.000 1.425 110 I CB -0.322 37.686 38.000 0.013 0.000 1.079 110 I HN 0.323 nan 8.210 nan 0.000 0.425 111 E N 1.960 122.219 120.200 0.098 0.000 2.072 111 E HA -0.128 4.222 4.350 0.000 0.000 0.191 111 E C 2.219 178.867 176.600 0.080 0.000 0.985 111 E CA 1.591 58.038 56.400 0.078 0.000 0.801 111 E CB -0.222 29.521 29.700 0.071 0.000 0.750 111 E HN 0.595 nan 8.360 nan 0.000 0.452 112 A N -0.845 122.039 122.820 0.108 0.000 2.015 112 A HA -0.124 4.196 4.320 0.000 0.000 0.219 112 A C 1.666 179.195 177.584 -0.091 0.000 1.163 112 A CA 1.322 53.373 52.037 0.023 0.000 0.646 112 A CB -0.563 18.456 19.000 0.031 0.000 0.806 112 A HN 0.430 nan 8.150 nan 0.000 0.448 113 Y N -1.110 119.197 120.300 0.011 0.000 2.284 113 Y HA 0.059 4.609 4.550 0.000 0.000 0.293 113 Y C 2.582 178.471 175.900 -0.018 0.000 1.140 113 Y CA 1.356 59.456 58.100 -0.000 0.000 1.153 113 Y CB 0.146 38.603 38.460 -0.006 0.000 1.114 113 Y HN 0.193 nan 8.280 nan 0.000 0.521 114 S N -0.276 115.512 115.700 0.147 0.000 2.556 114 S HA 0.193 4.663 4.470 0.000 0.000 0.216 114 S C 1.017 175.638 174.600 0.034 0.000 0.970 114 S CA 0.144 58.383 58.200 0.065 0.000 0.912 114 S CB -0.268 62.954 63.200 0.037 0.000 0.790 114 S HN 0.409 nan 8.310 nan 0.000 0.504 115 G N 0.840 109.660 108.800 0.033 0.000 2.684 115 G HA2 0.418 4.378 3.960 0.000 0.000 0.255 115 G HA3 0.418 4.378 3.960 0.000 0.000 0.255 115 G C 1.115 176.013 174.900 -0.002 0.000 1.219 115 G CA -0.017 45.093 45.100 0.016 0.000 0.901 115 G HN 0.290 nan 8.290 nan 0.000 0.548 116 A N -0.095 122.722 122.820 -0.005 0.000 1.978 116 A HA -0.068 4.252 4.320 0.000 0.000 0.220 116 A C 1.672 179.239 177.584 -0.029 0.000 1.170 116 A CA 1.437 53.467 52.037 -0.012 0.000 0.636 116 A CB -0.117 18.879 19.000 -0.007 0.000 0.810 116 A HN 0.507 nan 8.150 nan 0.000 0.448 117 N N -0.330 118.342 118.700 -0.047 0.000 2.416 117 N HA 0.198 4.938 4.740 0.000 0.000 0.267 117 N C 0.376 175.817 175.510 -0.115 0.000 1.294 117 N CA 0.489 53.489 53.050 -0.084 0.000 0.891 117 N CB 0.713 39.135 38.487 -0.107 0.000 1.238 117 N HN 0.366 nan 8.380 nan 0.000 0.508 118 G N 0.141 108.895 108.800 -0.077 0.000 2.599 118 G HA2 0.301 4.261 3.960 0.000 0.000 0.264 118 G HA3 0.301 4.261 3.960 0.000 0.000 0.264 118 G C 1.403 176.240 174.900 -0.105 0.000 1.200 118 G CA -0.535 44.514 45.100 -0.086 0.000 0.896 118 G HN 0.111 nan 8.290 nan 0.000 0.536 119 I N -0.244 120.230 120.570 -0.160 0.000 2.185 119 I HA -0.241 3.929 4.170 0.000 0.000 0.246 119 I C 2.608 178.687 176.117 -0.063 0.000 1.088 119 I CA 0.985 62.188 61.300 -0.161 0.000 1.347 119 I CB -0.215 37.602 38.000 -0.306 0.000 1.041 119 I HN 0.286 nan 8.210 nan 0.000 0.415 120 L N 0.366 121.583 121.223 -0.010 0.000 2.265 120 L HA -0.173 4.167 4.340 0.000 0.000 0.215 120 L C 2.360 179.229 176.870 -0.001 0.000 1.117 120 L CA 1.387 56.239 54.840 0.021 0.000 0.782 120 L CB -0.539 41.550 42.059 0.049 0.000 0.914 120 L HN 0.110 nan 8.230 nan 0.000 0.441 121 K N 0.005 120.393 120.400 -0.020 0.000 2.211 121 K HA -0.068 4.252 4.320 0.000 0.000 0.203 121 K C 1.226 177.812 176.600 -0.024 0.000 1.050 121 K CA 1.163 57.437 56.287 -0.023 0.000 0.945 121 K CB 0.022 32.502 32.500 -0.034 0.000 0.732 121 K HN 0.344 nan 8.250 nan 0.000 0.451 122 K N 0.335 120.717 120.400 -0.030 0.000 2.562 122 K HA 0.126 4.446 4.320 0.000 0.000 0.201 122 K C -0.440 176.147 176.600 -0.022 0.000 1.131 122 K CA -0.123 56.148 56.287 -0.027 0.000 1.059 122 K CB 1.544 34.022 32.500 -0.037 0.000 0.913 122 K HN -0.168 nan 8.250 nan 0.000 0.563 123 V N 2.458 122.363 119.914 -0.015 0.000 2.585 123 V HA 0.049 4.169 4.120 0.000 0.000 0.296 123 V C -0.133 175.962 176.094 0.002 0.000 1.035 123 V CA 0.246 62.543 62.300 -0.005 0.000 1.084 123 V CB 0.472 32.304 31.823 0.015 0.000 0.953 123 V HN 0.140 nan 8.190 nan 0.000 0.483 124 K N 5.000 125.401 120.400 0.001 0.000 2.098 124 K HA 0.370 4.690 4.320 0.000 0.000 0.261 124 K C -0.123 176.482 176.600 0.008 0.000 0.987 124 K CA -0.723 55.566 56.287 0.003 0.000 0.916 124 K CB 1.074 33.574 32.500 -0.000 0.000 1.039 124 K HN 0.632 nan 8.250 nan 0.000 0.455 125 K N 0.029 120.434 120.400 0.008 0.000 2.524 125 K HA -0.062 4.259 4.320 0.000 0.000 0.279 125 K C 0.860 177.466 176.600 0.009 0.000 0.993 125 K CA 1.239 57.532 56.287 0.010 0.000 1.030 125 K CB 0.200 32.704 32.500 0.007 0.000 0.891 125 K HN 0.894 nan 8.250 nan 0.000 0.488 126 G N 1.659 110.466 108.800 0.012 0.000 2.162 126 G HA2 -0.282 3.678 3.960 0.000 0.000 0.260 126 G HA3 -0.282 3.678 3.960 0.000 0.000 0.260 126 G C 0.015 174.919 174.900 0.006 0.000 0.976 126 G CA 0.246 45.351 45.100 0.009 0.000 0.655 126 G HN 0.543 nan 8.290 nan 0.000 0.533 127 S N -0.090 115.616 115.700 0.011 0.000 2.564 127 S HA 0.487 4.957 4.470 0.000 0.000 0.278 127 S C 0.403 175.008 174.600 0.008 0.000 1.333 127 S CA -0.283 57.921 58.200 0.006 0.000 1.048 127 S CB 1.453 64.658 63.200 0.009 0.000 0.900 127 S HN 0.487 nan 8.310 nan 0.000 0.505 128 L N 3.612 124.826 121.223 -0.015 0.000 2.257 128 L HA 0.635 4.975 4.340 0.000 0.000 0.290 128 L C -0.616 176.230 176.870 -0.039 0.000 1.044 128 L CA -0.507 54.313 54.840 -0.033 0.000 0.810 128 L CB 0.544 42.562 42.059 -0.068 0.000 1.193 128 L HN 0.618 nan 8.230 nan 0.000 0.425 129 L N 6.080 127.295 121.223 -0.015 0.000 2.325 129 L HA 0.668 5.008 4.340 0.000 0.000 0.281 129 L C -0.712 176.053 176.870 -0.177 0.000 1.004 129 L CA -0.404 54.439 54.840 0.005 0.000 0.823 129 L CB 1.408 43.618 42.059 0.251 0.000 1.236 129 L HN 0.625 nan 8.230 nan 0.000 0.415 130 I N 2.230 122.683 120.570 -0.196 0.000 2.389 130 I HA 0.444 4.614 4.170 0.000 0.000 0.288 130 I C -0.916 175.070 176.117 -0.219 0.000 0.999 130 I CA -0.601 60.520 61.300 -0.299 0.000 1.129 130 I CB 1.936 39.790 38.000 -0.242 0.000 1.288 130 I HN 0.772 nan 8.210 nan 0.000 0.444 131 D N 3.777 123.993 120.400 -0.307 0.000 2.373 131 D HA 0.270 4.910 4.640 0.000 0.000 0.227 131 D C 0.381 176.661 176.300 -0.033 0.000 1.091 131 D CA -0.016 53.951 54.000 -0.055 0.000 0.840 131 D CB 1.364 42.232 40.800 0.114 0.000 1.060 131 D HN 0.314 nan 8.370 nan 0.000 0.502 132 S N 1.102 116.806 115.700 0.007 0.000 2.575 132 S HA 0.075 4.545 4.470 0.000 0.000 0.215 132 S C 0.490 175.109 174.600 0.031 0.000 0.966 132 S CA -0.385 57.848 58.200 0.055 0.000 0.911 132 S CB 0.123 63.406 63.200 0.138 0.000 0.780 132 S HN 0.449 nan 8.310 nan 0.000 0.514 133 S N 2.401 118.126 115.700 0.042 0.000 2.563 133 S HA 0.079 4.549 4.470 0.000 0.000 0.284 133 S C 0.361 174.973 174.600 0.020 0.000 1.331 133 S CA 0.174 58.398 58.200 0.041 0.000 1.047 133 S CB 0.482 63.724 63.200 0.069 0.000 0.859 133 S HN 0.263 nan 8.310 nan 0.000 0.514 134 T N 3.853 118.410 114.554 0.006 0.000 2.738 134 T HA 0.550 4.900 4.350 0.000 0.000 0.298 134 T C 0.237 174.933 174.700 -0.006 0.000 0.962 134 T CA -0.377 61.715 62.100 -0.012 0.000 0.972 134 T CB -0.675 68.177 68.868 -0.027 0.000 0.928 134 T HN 0.568 nan 8.240 nan 0.000 0.474 135 I N -0.901 119.666 120.570 -0.006 0.000 3.279 135 I HA 0.594 4.764 4.170 0.000 0.000 0.315 135 I C -0.660 175.444 176.117 -0.022 0.000 1.187 135 I CA -1.353 59.941 61.300 -0.009 0.000 0.953 135 I CB 1.765 39.767 38.000 0.004 0.000 1.279 135 I HN 0.227 nan 8.210 nan 0.000 0.465 136 D N 2.977 123.360 120.400 -0.029 0.000 2.533 136 D HA 0.068 4.708 4.640 0.000 0.000 0.236 136 D C -1.733 174.547 176.300 -0.034 0.000 1.137 136 D CA -0.837 53.142 54.000 -0.036 0.000 0.867 136 D CB 1.619 42.397 40.800 -0.037 0.000 1.170 136 D HN 0.328 nan 8.370 nan 0.000 0.474 137 P HA -0.164 nan 4.420 nan 0.000 0.216 137 P C 0.936 178.214 177.300 -0.037 0.000 1.153 137 P CA 1.548 64.630 63.100 -0.030 0.000 0.858 137 P CB 0.110 31.789 31.700 -0.036 0.000 0.789 138 A N -0.816 121.978 122.820 -0.044 0.000 1.972 138 A HA -0.139 4.181 4.320 0.000 0.000 0.219 138 A C 2.302 179.842 177.584 -0.074 0.000 1.169 138 A CA 1.657 53.662 52.037 -0.052 0.000 0.635 138 A CB -1.618 17.355 19.000 -0.045 0.000 0.810 138 A HN 0.065 nan 8.150 nan 0.000 0.446 139 V N -0.532 119.337 119.914 -0.076 0.000 2.453 139 V HA -0.173 3.947 4.120 0.000 0.000 0.247 139 V C 2.729 178.718 176.094 -0.174 0.000 1.048 139 V CA 2.057 64.292 62.300 -0.107 0.000 1.049 139 V CB -0.716 31.058 31.823 -0.081 0.000 0.672 139 V HN 0.544 nan 8.190 nan 0.000 0.457 140 S N -0.176 115.451 115.700 -0.123 0.000 2.365 140 S HA -0.267 4.203 4.470 0.000 0.000 0.225 140 S C 2.011 176.469 174.600 -0.236 0.000 1.039 140 S CA 1.811 59.935 58.200 -0.126 0.000 1.033 140 S CB -0.280 62.967 63.200 0.078 0.000 0.887 140 S HN 0.596 nan 8.310 nan 0.000 0.447 141 K N 0.930 121.252 120.400 -0.130 0.000 2.057 141 K HA -0.071 4.249 4.320 0.000 0.000 0.207 141 K C 2.454 178.948 176.600 -0.177 0.000 1.049 141 K CA 1.314 57.530 56.287 -0.117 0.000 0.931 141 K CB -0.220 32.240 32.500 -0.066 0.000 0.714 141 K HN 0.178 nan 8.250 nan 0.000 0.440 142 E N 1.111 121.202 120.200 -0.182 0.000 2.077 142 E HA -0.104 4.246 4.350 0.000 0.000 0.193 142 E C 2.022 178.461 176.600 -0.268 0.000 0.989 142 E CA 0.790 57.082 56.400 -0.179 0.000 0.800 142 E CB -0.405 29.213 29.700 -0.136 0.000 0.746 142 E HN 0.292 nan 8.360 nan 0.000 0.452 143 L N -0.091 120.871 121.223 -0.434 0.000 2.012 143 L HA -0.181 4.159 4.340 0.000 0.000 0.210 143 L C 2.801 179.252 176.870 -0.697 0.000 1.073 143 L CA 1.460 55.898 54.840 -0.671 0.000 0.748 143 L CB -0.613 40.756 42.059 -1.151 0.000 0.891 143 L HN 0.312 nan 8.230 nan 0.000 0.431 144 A N -0.061 122.327 122.820 -0.719 0.000 1.908 144 A HA -0.245 4.075 4.320 0.000 0.000 0.218 144 A C 2.317 179.814 177.584 -0.146 0.000 1.181 144 A CA 1.837 53.671 52.037 -0.339 0.000 0.627 144 A CB -0.401 18.546 19.000 -0.089 0.000 0.818 144 A HN 0.329 nan 8.150 nan 0.000 0.445 145 K N -0.580 119.735 120.400 -0.143 0.000 2.147 145 K HA -0.129 4.192 4.320 0.000 0.000 0.205 145 K C 1.983 178.540 176.600 -0.071 0.000 1.049 145 K CA 1.425 57.663 56.287 -0.081 0.000 0.936 145 K CB -0.114 32.343 32.500 -0.073 0.000 0.722 145 K HN 0.595 nan 8.250 nan 0.000 0.446 146 E N 0.342 120.479 120.200 -0.105 0.000 2.072 146 E HA -0.133 4.217 4.350 0.000 0.000 0.190 146 E C 2.097 178.679 176.600 -0.029 0.000 0.982 146 E CA 1.297 57.657 56.400 -0.067 0.000 0.803 146 E CB 0.084 29.738 29.700 -0.076 0.000 0.755 146 E HN 0.212 nan 8.360 nan 0.000 0.453 147 V N -0.554 119.342 119.914 -0.030 0.000 2.626 147 V HA -0.167 3.953 4.120 0.000 0.000 0.252 147 V C 1.952 178.073 176.094 0.044 0.000 1.067 147 V CA 1.864 64.192 62.300 0.048 0.000 1.081 147 V CB -0.259 31.646 31.823 0.137 0.000 0.686 147 V HN 0.150 nan 8.190 nan 0.000 0.468 148 E N 0.604 120.818 120.200 0.022 0.000 2.072 148 E HA -0.221 4.129 4.350 0.000 0.000 0.191 148 E C 2.249 178.857 176.600 0.013 0.000 0.985 148 E CA 1.419 57.832 56.400 0.023 0.000 0.801 148 E CB -0.106 29.601 29.700 0.012 0.000 0.750 148 E HN 0.674 nan 8.360 nan 0.000 0.452 149 K N -0.299 120.103 120.400 0.003 0.000 2.152 149 K HA -0.155 4.165 4.320 0.000 0.000 0.206 149 K C 1.625 178.229 176.600 0.008 0.000 1.048 149 K CA 1.097 57.385 56.287 0.002 0.000 0.933 149 K CB -0.057 32.440 32.500 -0.005 0.000 0.721 149 K HN 0.132 nan 8.250 nan 0.000 0.447 150 M N -0.425 119.184 119.600 0.015 0.000 2.563 150 M HA 0.114 4.594 4.480 0.000 0.000 0.231 150 M C 0.553 176.865 176.300 0.021 0.000 1.136 150 M CA 0.095 55.406 55.300 0.018 0.000 1.026 150 M CB 0.074 32.689 32.600 0.026 0.000 1.597 150 M HN 0.359 nan 8.290 nan 0.000 0.495 151 G N -0.082 108.730 108.800 0.021 0.000 2.160 151 G HA2 -0.138 3.822 3.960 0.000 0.000 0.251 151 G HA3 -0.138 3.822 3.960 0.000 0.000 0.251 151 G C 0.240 175.157 174.900 0.027 0.000 1.008 151 G CA 0.314 45.426 45.100 0.020 0.000 0.724 151 G HN 0.830 nan 8.290 nan 0.000 0.514 152 A N -1.597 121.247 122.820 0.041 0.000 2.312 152 A HA 0.948 5.268 4.320 0.000 0.000 0.310 152 A C 0.031 177.658 177.584 0.071 0.000 1.139 152 A CA -0.005 52.063 52.037 0.053 0.000 0.886 152 A CB 2.145 21.184 19.000 0.066 0.000 1.350 152 A HN 1.634 nan 8.150 nan 0.000 0.479 153 V N 0.175 120.135 119.914 0.078 0.000 2.495 153 V HA 0.696 4.816 4.120 0.000 0.000 0.298 153 V C -1.496 174.683 176.094 0.142 0.000 1.031 153 V CA -0.630 61.725 62.300 0.093 0.000 0.871 153 V CB 1.120 32.972 31.823 0.048 0.000 0.988 153 V HN 0.795 nan 8.190 nan 0.000 0.432 154 F N 7.644 127.601 119.950 0.011 0.000 2.443 154 F HA 0.792 5.319 4.527 0.000 0.000 0.335 154 F C -0.284 175.519 175.800 0.005 0.000 1.104 154 F CA -0.711 57.290 58.000 0.001 0.000 1.013 154 F CB 1.766 40.739 39.000 -0.046 0.000 1.136 154 F HN 0.433 nan 8.300 nan 0.000 0.470 155 M N 5.932 125.122 119.600 -0.684 0.000 2.327 155 M HA 0.256 4.736 4.480 0.000 0.000 0.298 155 M C -1.528 174.352 176.300 -0.700 0.000 1.065 155 M CA -0.970 54.066 55.300 -0.440 0.000 0.916 155 M CB 2.133 34.626 32.600 -0.179 0.000 1.630 155 M HN 0.523 nan 8.290 nan 0.000 0.442 156 D N 2.243 122.470 120.400 -0.289 0.000 2.312 156 D HA 0.432 5.072 4.640 0.000 0.000 0.252 156 D C -0.494 175.776 176.300 -0.051 0.000 1.150 156 D CA -0.424 53.495 54.000 -0.137 0.000 0.870 156 D CB 1.729 42.566 40.800 0.061 0.000 1.153 156 D HN 0.686 nan 8.370 nan 0.000 0.457 157 A N 3.567 126.378 122.820 -0.015 0.000 3.355 157 A HA 0.361 4.681 4.320 0.000 0.000 0.290 157 A C -2.615 175.053 177.584 0.140 0.000 0.973 157 A CA -1.134 50.974 52.037 0.119 0.000 0.933 157 A CB 0.530 19.634 19.000 0.172 0.000 1.138 157 A HN 0.426 nan 8.150 nan 0.000 0.490 158 P HA 0.265 nan 4.420 nan 0.000 0.269 158 P C 0.124 177.321 177.300 -0.171 0.000 1.215 158 P CA 0.367 63.435 63.100 -0.053 0.000 0.780 158 P CB 1.237 32.900 31.700 -0.062 0.000 0.898 159 V N -0.624 119.122 119.914 -0.280 0.000 2.581 159 V HA 0.734 4.854 4.120 0.000 0.000 0.303 159 V C 0.092 175.978 176.094 -0.346 0.000 1.041 159 V CA -0.899 61.113 62.300 -0.480 0.000 0.907 159 V CB 1.316 32.768 31.823 -0.618 0.000 0.994 159 V HN 0.689 nan 8.190 nan 0.000 0.442 160 S N 2.062 117.551 115.700 -0.351 0.000 2.482 160 S HA 0.936 5.406 4.470 0.000 0.000 0.303 160 S C 0.484 174.914 174.600 -0.282 0.000 1.091 160 S CA 0.220 58.218 58.200 -0.337 0.000 1.057 160 S CB 1.482 64.472 63.200 -0.350 0.000 1.031 160 S HN 2.338 nan 8.310 nan 0.000 0.485 161 G N 1.260 109.905 108.800 -0.259 0.000 3.511 161 G HA2 0.446 4.406 3.960 0.000 0.000 0.218 161 G HA3 0.446 4.406 3.960 0.000 0.000 0.218 161 G C 0.866 175.726 174.900 -0.066 0.000 1.001 161 G CA 0.404 45.417 45.100 -0.144 0.000 0.877 161 G HN 2.296 nan 8.290 nan 0.000 0.450 162 G N -1.026 107.735 108.800 -0.065 0.000 2.760 162 G HA2 0.075 4.035 3.960 0.000 0.000 0.246 162 G HA3 0.075 4.035 3.960 0.000 0.000 0.246 162 G C 0.927 175.863 174.900 0.060 0.000 1.359 162 G CA 0.147 45.269 45.100 0.037 0.000 0.861 162 G HN 1.199 nan 8.290 nan 0.000 0.541 163 V N 1.414 121.385 119.914 0.095 0.000 2.490 163 V HA -0.032 4.088 4.120 0.000 0.000 0.250 163 V C 3.122 179.262 176.094 0.078 0.000 1.061 163 V CA 3.324 65.674 62.300 0.084 0.000 1.064 163 V CB -1.252 30.625 31.823 0.090 0.000 0.670 163 V HN 1.515 nan 8.190 nan 0.000 0.461 164 G N -0.157 108.696 108.800 0.088 0.000 2.433 164 G HA2 -0.184 3.776 3.960 0.000 0.000 0.216 164 G HA3 -0.184 3.776 3.960 0.000 0.000 0.216 164 G C 1.755 176.699 174.900 0.073 0.000 1.186 164 G CA 0.970 46.120 45.100 0.082 0.000 0.779 164 G HN 0.605 nan 8.290 nan 0.000 0.543 165 A N 0.989 123.849 122.820 0.067 0.000 1.969 165 A HA 0.346 4.666 4.320 0.000 0.000 0.218 165 A C 2.773 180.391 177.584 0.057 0.000 1.169 165 A CA 2.021 54.091 52.037 0.055 0.000 0.635 165 A CB -0.646 18.372 19.000 0.029 0.000 0.810 165 A HN 0.749 nan 8.150 nan 0.000 0.445 166 A N -0.273 122.578 122.820 0.052 0.000 1.902 166 A HA -0.173 4.147 4.320 0.000 0.000 0.217 166 A C 2.279 179.913 177.584 0.083 0.000 1.181 166 A CA 1.648 53.726 52.037 0.067 0.000 0.623 166 A CB -0.448 18.589 19.000 0.062 0.000 0.818 166 A HN 0.516 nan 8.150 nan 0.000 0.443 167 R N -0.977 119.567 120.500 0.072 0.000 2.066 167 R HA -0.076 4.264 4.340 0.000 0.000 0.232 167 R C 2.612 178.956 176.300 0.073 0.000 1.131 167 R CA 1.455 57.595 56.100 0.068 0.000 0.955 167 R CB -0.281 30.053 30.300 0.057 0.000 0.851 167 R HN 0.554 nan 8.270 nan 0.000 0.432 168 S N -0.900 114.844 115.700 0.074 0.000 2.453 168 S HA -0.018 4.452 4.470 0.000 0.000 0.231 168 S C 1.069 175.726 174.600 0.095 0.000 1.005 168 S CA 1.116 59.362 58.200 0.076 0.000 0.949 168 S CB 0.079 63.320 63.200 0.069 0.000 0.774 168 S HN 0.622 nan 8.310 nan 0.000 0.510 169 G N 0.986 109.850 108.800 0.108 0.000 2.171 169 G HA2 -0.216 3.745 3.960 0.000 0.000 0.238 169 G HA3 -0.216 3.745 3.960 0.000 0.000 0.238 169 G C 0.043 175.017 174.900 0.124 0.000 1.039 169 G CA 0.283 45.463 45.100 0.133 0.000 0.759 169 G HN 0.564 nan 8.290 nan 0.000 0.501 170 N N -0.304 118.455 118.700 0.099 0.000 2.275 170 N HA 0.380 5.120 4.740 0.000 0.000 0.236 170 N C 0.855 176.400 175.510 0.059 0.000 1.154 170 N CA -0.256 52.844 53.050 0.083 0.000 0.866 170 N CB 0.289 38.819 38.487 0.072 0.000 1.093 170 N HN 0.520 nan 8.380 nan 0.000 0.515 171 L N 0.163 121.421 121.223 0.058 0.000 2.464 171 L HA 0.221 4.561 4.340 0.000 0.000 0.264 171 L C 0.464 177.316 176.870 -0.030 0.000 1.199 171 L CA 0.107 54.915 54.840 -0.053 0.000 0.818 171 L CB 0.531 42.476 42.059 -0.190 0.000 1.102 171 L HN 0.066 nan 8.230 nan 0.000 0.473 172 T N 1.775 116.240 114.554 -0.149 0.000 2.767 172 T HA 0.463 4.813 4.350 0.000 0.000 0.284 172 T C -0.565 174.014 174.700 -0.202 0.000 0.973 172 T CA -0.202 61.850 62.100 -0.080 0.000 0.996 172 T CB 0.266 69.072 68.868 -0.103 0.000 0.927 172 T HN 0.091 nan 8.240 nan 0.000 0.456 173 F N 2.861 122.809 119.950 -0.003 0.000 2.427 173 F HA 0.513 5.040 4.527 0.000 0.000 0.346 173 F C 0.488 176.301 175.800 0.022 0.000 1.120 173 F CA -1.045 56.956 58.000 0.003 0.000 1.033 173 F CB 1.282 40.290 39.000 0.012 0.000 1.126 173 F HN 0.274 nan 8.300 nan 0.000 0.462 174 M N 4.716 124.394 119.600 0.130 0.000 2.066 174 M HA 0.466 4.946 4.480 0.000 0.000 0.340 174 M C -1.237 175.117 176.300 0.090 0.000 1.053 174 M CA -0.609 54.730 55.300 0.064 0.000 0.983 174 M CB 1.369 33.950 32.600 -0.033 0.000 1.520 174 M HN 0.177 nan 8.290 nan 0.000 0.428 175 V N 2.555 122.544 119.914 0.125 0.000 2.384 175 V HA 0.759 4.879 4.120 0.000 0.000 0.287 175 V C 0.419 176.537 176.094 0.039 0.000 1.020 175 V CA -0.715 61.688 62.300 0.172 0.000 0.850 175 V CB 1.507 33.590 31.823 0.433 0.000 0.987 175 V HN 0.963 nan 8.190 nan 0.000 0.436 176 G N 2.097 110.907 108.800 0.017 0.000 2.417 176 G HA2 0.848 4.808 3.960 0.000 0.000 0.334 176 G HA3 0.848 4.808 3.960 0.000 0.000 0.334 176 G C -0.100 174.865 174.900 0.108 0.000 1.150 176 G CA -0.135 44.947 45.100 -0.030 0.000 0.923 176 G HN 1.367 nan 8.290 nan 0.000 0.485 177 G N -1.421 107.480 108.800 0.168 0.000 2.369 177 G HA2 0.358 4.319 3.960 0.000 0.000 0.295 177 G HA3 0.358 4.319 3.960 0.000 0.000 0.295 177 G C -0.977 174.087 174.900 0.272 0.000 1.298 177 G CA -0.399 44.824 45.100 0.205 0.000 0.940 177 G HN 1.155 nan 8.290 nan 0.000 0.536 178 V N 1.591 121.607 119.914 0.170 0.000 2.493 178 V HA 0.139 4.259 4.120 0.000 0.000 0.292 178 V C 1.874 178.012 176.094 0.073 0.000 1.016 178 V CA 1.389 63.761 62.300 0.120 0.000 1.097 178 V CB 0.900 32.765 31.823 0.069 0.000 0.947 178 V HN 0.931 nan 8.190 nan 0.000 0.479 179 E N 2.649 122.839 120.200 -0.017 0.000 2.274 179 E HA -0.146 4.204 4.350 0.000 0.000 0.194 179 E C 1.582 178.081 176.600 -0.169 0.000 0.996 179 E CA 1.125 57.329 56.400 -0.326 0.000 0.840 179 E CB -0.239 29.103 29.700 -0.597 0.000 0.772 179 E HN 0.820 nan 8.360 nan 0.000 0.491 180 D N 2.149 122.507 120.400 -0.070 0.000 2.221 180 D HA -0.162 4.478 4.640 0.000 0.000 0.204 180 D C 1.809 178.093 176.300 -0.026 0.000 0.982 180 D CA 1.267 55.242 54.000 -0.041 0.000 0.857 180 D CB -0.426 40.362 40.800 -0.021 0.000 0.934 180 D HN 0.142 nan 8.370 nan 0.000 0.475 181 E N -1.315 118.878 120.200 -0.011 0.000 2.442 181 E HA 0.089 4.439 4.350 0.000 0.000 0.195 181 E C 1.593 178.182 176.600 -0.018 0.000 1.030 181 E CA -0.231 56.163 56.400 -0.011 0.000 0.869 181 E CB -0.271 29.432 29.700 0.006 0.000 0.857 181 E HN 0.715 nan 8.360 nan 0.000 0.505 182 F N 2.158 122.019 119.950 -0.148 0.000 2.102 182 F HA -0.177 4.350 4.527 0.000 0.000 0.298 182 F C 2.190 177.921 175.800 -0.115 0.000 1.105 182 F CA 1.545 59.459 58.000 -0.144 0.000 1.239 182 F CB -0.188 38.644 39.000 -0.280 0.000 0.991 182 F HN 0.013 nan 8.300 nan 0.000 0.474 183 A N 0.536 123.299 122.820 -0.095 0.000 1.908 183 A HA -0.134 4.186 4.320 0.000 0.000 0.218 183 A C 2.426 179.874 177.584 -0.227 0.000 1.181 183 A CA 2.011 53.955 52.037 -0.155 0.000 0.627 183 A CB -1.619 17.361 19.000 -0.033 0.000 0.818 183 A HN 0.541 nan 8.150 nan 0.000 0.445 184 A N -0.187 122.528 122.820 -0.175 0.000 1.877 184 A HA 0.146 4.466 4.320 0.000 0.000 0.216 184 A C 2.537 179.979 177.584 -0.236 0.000 1.186 184 A CA 2.221 54.162 52.037 -0.160 0.000 0.620 184 A CB -1.104 17.831 19.000 -0.108 0.000 0.822 184 A HN 1.122 nan 8.150 nan 0.000 0.443 185 A N -0.716 121.921 122.820 -0.305 0.000 1.902 185 A HA -0.235 4.086 4.320 0.000 0.000 0.217 185 A C 2.194 179.483 177.584 -0.491 0.000 1.181 185 A CA 1.939 53.754 52.037 -0.370 0.000 0.623 185 A CB -0.607 18.189 19.000 -0.340 0.000 0.818 185 A HN 0.687 nan 8.150 nan 0.000 0.443 186 Q N -0.312 119.084 119.800 -0.674 0.000 2.170 186 Q HA -0.159 4.181 4.340 0.000 0.000 0.203 186 Q C 1.893 177.678 176.000 -0.359 0.000 0.976 186 Q CA 1.743 57.171 55.803 -0.625 0.000 0.858 186 Q CB -0.139 28.156 28.738 -0.738 0.000 0.907 186 Q HN 0.596 nan 8.270 nan 0.000 0.433 187 E N 0.244 120.277 120.200 -0.278 0.000 2.085 187 E HA -0.169 4.182 4.350 0.000 0.000 0.194 187 E C 1.951 178.439 176.600 -0.187 0.000 0.994 187 E CA 1.336 57.637 56.400 -0.166 0.000 0.801 187 E CB -0.356 29.286 29.700 -0.096 0.000 0.743 187 E HN 0.523 nan 8.360 nan 0.000 0.453 188 L N -0.435 120.619 121.223 -0.282 0.000 2.023 188 L HA -0.018 4.322 4.340 0.000 0.000 0.205 188 L C 2.640 179.269 176.870 -0.401 0.000 1.073 188 L CA 1.145 55.759 54.840 -0.377 0.000 0.745 188 L CB -0.397 41.424 42.059 -0.397 0.000 0.900 188 L HN 0.232 nan 8.230 nan 0.000 0.435 189 L N -0.475 120.455 121.223 -0.488 0.000 2.141 189 L HA -0.080 4.260 4.340 0.000 0.000 0.209 189 L C 2.570 179.144 176.870 -0.493 0.000 1.094 189 L CA 1.032 55.437 54.840 -0.725 0.000 0.763 189 L CB -1.060 40.382 42.059 -1.029 0.000 0.908 189 L HN 0.316 nan 8.230 nan 0.000 0.437 190 G N -0.890 107.716 108.800 -0.323 0.000 2.498 190 G HA2 -0.211 3.749 3.960 0.000 0.000 0.219 190 G HA3 -0.211 3.749 3.960 0.000 0.000 0.219 190 G C 1.454 176.238 174.900 -0.192 0.000 1.119 190 G CA 0.742 45.733 45.100 -0.181 0.000 0.766 190 G HN 0.432 nan 8.290 nan 0.000 0.552 191 C N -0.127 118.982 119.300 -0.319 0.000 2.481 191 C HA 0.298 4.758 4.460 0.000 0.000 0.275 191 C C 2.540 177.422 174.990 -0.180 0.000 1.419 191 C CA 0.530 59.214 59.018 -0.556 0.000 1.773 191 C CB -0.538 26.843 27.740 -0.598 0.000 1.862 191 C HN 0.470 nan 8.230 nan 0.000 0.530 192 M N -0.526 119.040 119.600 -0.056 0.000 2.331 192 M HA 0.238 4.718 4.480 0.000 0.000 0.266 192 M C 0.834 177.310 176.300 0.293 0.000 1.055 192 M CA 0.256 55.642 55.300 0.143 0.000 1.048 192 M CB 0.575 33.306 32.600 0.217 0.000 1.460 192 M HN 0.391 nan 8.290 nan 0.000 0.519 193 G N -1.146 107.810 108.800 0.259 0.000 2.619 193 G HA2 0.370 4.330 3.960 0.000 0.000 0.296 193 G HA3 0.370 4.330 3.960 0.000 0.000 0.296 193 G C -0.192 174.812 174.900 0.173 0.000 1.334 193 G CA -0.375 44.918 45.100 0.321 0.000 0.934 193 G HN -0.057 nan 8.290 nan 0.000 0.476 194 S N -0.279 115.509 115.700 0.147 0.000 2.470 194 S HA 0.134 4.604 4.470 0.000 0.000 0.222 194 S C 0.609 175.271 174.600 0.104 0.000 1.024 194 S CA 0.182 58.445 58.200 0.106 0.000 0.931 194 S CB -0.225 63.027 63.200 0.087 0.000 0.791 194 S HN 0.482 nan 8.310 nan 0.000 0.513 195 N N 1.203 119.979 118.700 0.128 0.000 2.354 195 N HA 0.407 5.147 4.740 0.000 0.000 0.287 195 N C -1.701 173.927 175.510 0.197 0.000 1.016 195 N CA -0.212 52.914 53.050 0.127 0.000 0.871 195 N CB 2.171 40.708 38.487 0.083 0.000 1.299 195 N HN -0.021 nan 8.380 nan 0.000 0.482 196 V N 2.374 122.410 119.914 0.204 0.000 2.409 196 V HA 0.378 4.499 4.120 0.000 0.000 0.290 196 V C -0.180 176.133 176.094 0.365 0.000 1.017 196 V CA -0.772 61.702 62.300 0.289 0.000 0.841 196 V CB 1.761 33.686 31.823 0.170 0.000 1.003 196 V HN 0.302 nan 8.190 nan 0.000 0.426 197 V N 4.780 124.865 119.914 0.284 0.000 2.448 197 V HA 0.379 4.499 4.120 0.000 0.000 0.295 197 V C -0.660 175.454 176.094 0.033 0.000 1.025 197 V CA -0.919 61.452 62.300 0.119 0.000 0.859 197 V CB 1.632 33.479 31.823 0.039 0.000 0.988 197 V HN 0.760 nan 8.190 nan 0.000 0.431 198 Y N 3.635 123.668 120.300 -0.445 0.000 2.436 198 Y HA 0.241 4.791 4.550 0.000 0.000 0.336 198 Y C 0.960 176.707 175.900 -0.256 0.000 1.049 198 Y CA -0.369 57.393 58.100 -0.564 0.000 1.294 198 Y CB 1.047 38.862 38.460 -1.074 0.000 1.179 198 Y HN 0.741 nan 8.280 nan 0.000 0.520 199 C N 4.051 122.910 119.300 -0.736 0.000 2.912 199 C HA 0.646 5.106 4.460 0.000 0.000 0.274 199 C C 1.111 175.719 174.990 -0.636 0.000 1.248 199 C CA 0.505 59.212 59.018 -0.518 0.000 1.694 199 C CB -1.028 26.542 27.740 -0.283 0.000 2.024 199 C HN 1.228 nan 8.230 nan 0.000 0.605 200 G N 0.443 108.525 108.800 -1.197 0.000 2.265 200 G HA2 0.382 4.342 3.960 0.000 0.000 0.246 200 G HA3 0.382 4.342 3.960 0.000 0.000 0.246 200 G C -0.396 174.280 174.900 -0.374 0.000 1.299 200 G CA -0.153 44.542 45.100 -0.675 0.000 1.117 200 G HN 0.640 nan 8.290 nan 0.000 0.485 201 A N -0.740 122.015 122.820 -0.108 0.000 2.346 201 A HA 0.632 4.952 4.320 0.000 0.000 0.255 201 A C 1.116 178.696 177.584 -0.007 0.000 1.113 201 A CA 0.582 52.622 52.037 0.004 0.000 0.798 201 A CB -0.045 18.963 19.000 0.015 0.000 1.073 201 A HN 1.896 nan 8.150 nan 0.000 0.502 202 V N 0.483 120.427 119.914 0.049 0.000 2.694 202 V HA 0.369 4.489 4.120 0.000 0.000 0.306 202 V C 1.667 177.782 176.094 0.034 0.000 1.054 202 V CA 1.772 64.119 62.300 0.078 0.000 1.161 202 V CB -0.131 31.779 31.823 0.145 0.000 0.916 202 V HN 1.989 nan 8.190 nan 0.000 0.490 203 G N 3.587 112.410 108.800 0.038 0.000 2.234 203 G HA2 -0.312 3.649 3.960 0.000 0.000 0.235 203 G HA3 -0.312 3.649 3.960 0.000 0.000 0.235 203 G C 0.934 175.814 174.900 -0.033 0.000 0.997 203 G CA 0.875 45.978 45.100 0.005 0.000 0.623 203 G HN 1.085 nan 8.290 nan 0.000 0.514 204 T N -1.062 113.456 114.554 -0.060 0.000 2.951 204 T HA 0.267 4.617 4.350 0.000 0.000 0.268 204 T C 2.424 177.062 174.700 -0.104 0.000 1.073 204 T CA 1.743 63.782 62.100 -0.102 0.000 1.134 204 T CB -0.407 68.363 68.868 -0.163 0.000 0.884 204 T HN 1.203 nan 8.240 nan 0.000 0.479 205 G N 1.307 110.058 108.800 -0.082 0.000 2.414 205 G HA2 -0.179 3.781 3.960 0.000 0.000 0.215 205 G HA3 -0.179 3.781 3.960 0.000 0.000 0.215 205 G C 1.727 176.592 174.900 -0.057 0.000 1.188 205 G CA 0.485 45.549 45.100 -0.061 0.000 0.783 205 G HN 0.393 nan 8.290 nan 0.000 0.537 206 Q N 0.709 120.485 119.800 -0.040 0.000 2.077 206 Q HA -0.126 4.214 4.340 0.000 0.000 0.206 206 Q C 2.970 178.932 176.000 -0.064 0.000 0.989 206 Q CA 1.622 57.398 55.803 -0.045 0.000 0.853 206 Q CB -0.903 27.820 28.738 -0.025 0.000 0.907 206 Q HN 0.447 nan 8.270 nan 0.000 0.418 207 A N 1.235 124.016 122.820 -0.064 0.000 1.877 207 A HA -0.114 4.206 4.320 0.000 0.000 0.216 207 A C 2.395 179.929 177.584 -0.084 0.000 1.186 207 A CA 2.203 54.197 52.037 -0.071 0.000 0.620 207 A CB -0.837 18.123 19.000 -0.068 0.000 0.822 207 A HN 0.388 nan 8.150 nan 0.000 0.443 208 A N 0.133 122.897 122.820 -0.092 0.000 1.883 208 A HA -0.213 4.107 4.320 0.000 0.000 0.217 208 A C 2.090 179.605 177.584 -0.116 0.000 1.186 208 A CA 2.576 54.552 52.037 -0.102 0.000 0.624 208 A CB -0.493 18.444 19.000 -0.105 0.000 0.822 208 A HN 0.555 nan 8.150 nan 0.000 0.444 209 K N 0.099 120.428 120.400 -0.118 0.000 2.026 209 K HA -0.045 4.275 4.320 0.000 0.000 0.208 209 K C 1.613 178.123 176.600 -0.150 0.000 1.048 209 K CA 1.842 58.041 56.287 -0.147 0.000 0.929 209 K CB -0.559 31.859 32.500 -0.137 0.000 0.713 209 K HN 0.458 nan 8.250 nan 0.000 0.439 210 I N 0.360 120.858 120.570 -0.120 0.000 2.226 210 I HA -0.336 3.834 4.170 0.000 0.000 0.245 210 I C 2.147 178.196 176.117 -0.113 0.000 1.100 210 I CA 1.029 62.260 61.300 -0.114 0.000 1.374 210 I CB -0.210 37.734 38.000 -0.093 0.000 1.057 210 I HN 0.306 nan 8.210 nan 0.000 0.413 211 C N 0.154 119.392 119.300 -0.103 0.000 2.446 211 C HA -0.129 4.331 4.460 0.000 0.000 0.277 211 C C 2.636 177.561 174.990 -0.109 0.000 1.275 211 C CA 1.238 60.201 59.018 -0.092 0.000 1.727 211 C CB -1.492 26.201 27.740 -0.079 0.000 2.010 211 C HN 0.583 nan 8.230 nan 0.000 0.486 212 N N 1.617 120.234 118.700 -0.138 0.000 2.043 212 N HA -0.143 4.598 4.740 0.000 0.000 0.193 212 N C 1.358 176.746 175.510 -0.203 0.000 1.037 212 N CA 1.852 54.798 53.050 -0.174 0.000 0.851 212 N CB -0.288 38.068 38.487 -0.218 0.000 1.027 212 N HN 0.369 nan 8.380 nan 0.000 0.422 213 N N -0.065 118.500 118.700 -0.225 0.000 2.244 213 N HA -0.115 4.625 4.740 0.000 0.000 0.183 213 N C 1.585 176.991 175.510 -0.173 0.000 1.016 213 N CA 0.684 53.581 53.050 -0.256 0.000 0.866 213 N CB -0.286 38.043 38.487 -0.264 0.000 0.980 213 N HN 0.423 nan 8.380 nan 0.000 0.430 214 M N -0.204 119.323 119.600 -0.121 0.000 2.086 214 M HA -0.132 4.348 4.480 0.000 0.000 0.261 214 M C 1.793 178.075 176.300 -0.029 0.000 1.067 214 M CA 1.324 56.585 55.300 -0.065 0.000 1.116 214 M CB -0.053 32.515 32.600 -0.053 0.000 1.348 214 M HN 0.148 nan 8.290 nan 0.000 0.407 215 L N 0.741 121.937 121.223 -0.045 0.000 2.083 215 L HA -0.148 4.192 4.340 0.000 0.000 0.209 215 L C 2.098 178.974 176.870 0.009 0.000 1.083 215 L CA 1.504 56.335 54.840 -0.014 0.000 0.752 215 L CB -1.031 41.010 42.059 -0.032 0.000 0.899 215 L HN 0.414 nan 8.230 nan 0.000 0.433 216 L N 0.188 121.382 121.223 -0.047 0.000 2.012 216 L HA -0.149 4.191 4.340 0.000 0.000 0.210 216 L C 2.500 179.444 176.870 0.124 0.000 1.073 216 L CA 2.310 57.143 54.840 -0.013 0.000 0.748 216 L CB -1.291 40.640 42.059 -0.213 0.000 0.891 216 L HN 0.275 nan 8.230 nan 0.000 0.431 217 A N -0.229 122.635 122.820 0.073 0.000 1.877 217 A HA -0.189 4.131 4.320 0.000 0.000 0.216 217 A C 2.286 180.047 177.584 0.295 0.000 1.186 217 A CA 2.171 54.348 52.037 0.234 0.000 0.620 217 A CB -0.968 18.127 19.000 0.158 0.000 0.822 217 A HN 0.543 nan 8.150 nan 0.000 0.443 218 I N -0.162 120.517 120.570 0.182 0.000 2.163 218 I HA -0.259 3.911 4.170 0.000 0.000 0.243 218 I C 2.680 178.894 176.117 0.161 0.000 1.085 218 I CA 1.652 63.043 61.300 0.152 0.000 1.347 218 I CB -0.263 37.795 38.000 0.098 0.000 1.044 218 I HN 0.235 nan 8.210 nan 0.000 0.408 219 S N 0.155 115.956 115.700 0.167 0.000 2.387 219 S HA -0.166 4.304 4.470 0.000 0.000 0.226 219 S C 1.890 176.626 174.600 0.227 0.000 1.026 219 S CA 1.258 59.563 58.200 0.176 0.000 0.972 219 S CB -0.243 63.060 63.200 0.171 0.000 0.814 219 S HN 0.312 nan 8.310 nan 0.000 0.477 220 M N 2.010 121.800 119.600 0.316 0.000 2.086 220 M HA 0.042 4.522 4.480 0.000 0.000 0.261 220 M C 1.671 178.139 176.300 0.280 0.000 1.067 220 M CA 1.503 57.022 55.300 0.365 0.000 1.116 220 M CB -0.702 32.253 32.600 0.593 0.000 1.348 220 M HN 0.256 nan 8.290 nan 0.000 0.407 221 I N -0.567 120.162 120.570 0.265 0.000 2.226 221 I HA -0.200 3.970 4.170 0.000 0.000 0.245 221 I C 2.391 178.590 176.117 0.136 0.000 1.100 221 I CA 1.304 62.703 61.300 0.165 0.000 1.374 221 I CB -1.308 36.761 38.000 0.116 0.000 1.057 221 I HN 0.483 nan 8.210 nan 0.000 0.413 222 G N 0.423 109.305 108.800 0.136 0.000 2.446 222 G HA2 -0.249 3.711 3.960 0.000 0.000 0.217 222 G HA3 -0.249 3.711 3.960 0.000 0.000 0.217 222 G C 1.661 176.627 174.900 0.110 0.000 1.168 222 G CA 1.542 46.707 45.100 0.108 0.000 0.771 222 G HN 0.296 nan 8.290 nan 0.000 0.551 223 T N 1.687 116.318 114.554 0.128 0.000 2.746 223 T HA -0.002 4.348 4.350 0.000 0.000 0.267 223 T C 2.817 177.592 174.700 0.124 0.000 1.039 223 T CA 1.612 63.779 62.100 0.111 0.000 1.142 223 T CB -0.425 68.511 68.868 0.114 0.000 0.866 223 T HN 0.389 nan 8.240 nan 0.000 0.444 224 A N 1.654 124.576 122.820 0.170 0.000 1.908 224 A HA -0.165 4.155 4.320 0.000 0.000 0.218 224 A C 2.223 179.951 177.584 0.239 0.000 1.181 224 A CA 1.696 53.895 52.037 0.271 0.000 0.627 224 A CB -0.532 18.631 19.000 0.271 0.000 0.818 224 A HN 0.589 nan 8.150 nan 0.000 0.445 225 E N -0.356 119.927 120.200 0.138 0.000 2.072 225 E HA -0.064 4.286 4.350 0.000 0.000 0.191 225 E C 2.356 179.009 176.600 0.088 0.000 0.985 225 E CA 0.852 57.304 56.400 0.088 0.000 0.801 225 E CB -0.284 29.450 29.700 0.056 0.000 0.750 225 E HN 0.613 nan 8.360 nan 0.000 0.452 226 A N 1.411 124.283 122.820 0.088 0.000 1.877 226 A HA -0.179 4.141 4.320 0.000 0.000 0.216 226 A C 2.186 179.819 177.584 0.082 0.000 1.186 226 A CA 1.247 53.327 52.037 0.071 0.000 0.620 226 A CB -0.304 18.732 19.000 0.060 0.000 0.822 226 A HN 0.104 nan 8.150 nan 0.000 0.443 227 M N -0.344 119.320 119.600 0.106 0.000 2.086 227 M HA -0.144 4.337 4.480 0.000 0.000 0.261 227 M C 2.007 178.426 176.300 0.198 0.000 1.067 227 M CA 1.936 57.303 55.300 0.110 0.000 1.116 227 M CB -1.716 30.908 32.600 0.040 0.000 1.348 227 M HN 0.608 nan 8.290 nan 0.000 0.407 228 N N 0.915 119.787 118.700 0.286 0.000 2.084 228 N HA -0.166 4.574 4.740 0.000 0.000 0.190 228 N C 1.575 177.142 175.510 0.095 0.000 1.030 228 N CA 1.147 54.326 53.050 0.214 0.000 0.849 228 N CB -0.244 38.291 38.487 0.080 0.000 1.012 228 N HN 0.178 nan 8.380 nan 0.000 0.423 229 L N 0.263 121.527 121.223 0.069 0.000 2.012 229 L HA 0.067 4.407 4.340 0.000 0.000 0.210 229 L C 2.103 178.998 176.870 0.042 0.000 1.073 229 L CA 2.259 57.123 54.840 0.040 0.000 0.748 229 L CB -1.304 40.774 42.059 0.032 0.000 0.891 229 L HN 0.256 nan 8.230 nan 0.000 0.431 230 G N -0.113 108.718 108.800 0.053 0.000 2.446 230 G HA2 -0.285 3.675 3.960 0.000 0.000 0.217 230 G HA3 -0.285 3.675 3.960 0.000 0.000 0.217 230 G C 1.645 176.572 174.900 0.045 0.000 1.168 230 G CA 1.321 46.447 45.100 0.043 0.000 0.771 230 G HN 0.500 nan 8.290 nan 0.000 0.551 231 I N 0.267 120.877 120.570 0.067 0.000 2.163 231 I HA -0.180 3.990 4.170 0.000 0.000 0.243 231 I C 2.991 179.135 176.117 0.045 0.000 1.085 231 I CA 1.158 62.498 61.300 0.067 0.000 1.347 231 I CB -0.185 37.884 38.000 0.115 0.000 1.044 231 I HN 0.086 nan 8.210 nan 0.000 0.408 232 R N 0.378 120.900 120.500 0.038 0.000 2.189 232 R HA -0.040 4.300 4.340 0.000 0.000 0.223 232 R C 1.985 178.294 176.300 0.014 0.000 1.092 232 R CA 0.888 56.998 56.100 0.018 0.000 0.989 232 R CB -0.194 30.110 30.300 0.005 0.000 0.876 232 R HN 0.380 nan 8.270 nan 0.000 0.457 233 L N -0.472 120.762 121.223 0.018 0.000 2.599 233 L HA 0.138 4.478 4.340 0.000 0.000 0.230 233 L C 0.996 177.874 176.870 0.014 0.000 1.141 233 L CA 0.443 55.292 54.840 0.014 0.000 0.877 233 L CB 0.322 42.389 42.059 0.015 0.000 1.009 233 L HN 0.469 nan 8.230 nan 0.000 0.447 234 G N -0.019 108.791 108.800 0.017 0.000 2.144 234 G HA2 -0.220 3.740 3.960 0.000 0.000 0.218 234 G HA3 -0.220 3.740 3.960 0.000 0.000 0.218 234 G C 0.064 174.973 174.900 0.015 0.000 0.988 234 G CA -0.503 44.605 45.100 0.015 0.000 0.659 234 G HN 0.149 nan 8.290 nan 0.000 0.522 235 L N 1.058 122.292 121.223 0.018 0.000 2.350 235 L HA 0.419 4.760 4.340 0.000 0.000 0.275 235 L C 0.498 177.378 176.870 0.017 0.000 1.099 235 L CA -0.813 54.036 54.840 0.016 0.000 0.808 235 L CB 0.906 42.975 42.059 0.017 0.000 1.149 235 L HN 0.169 nan 8.230 nan 0.000 0.442 236 D N 4.618 125.024 120.400 0.010 0.000 2.371 236 D HA 0.051 4.691 4.640 0.000 0.000 0.256 236 D C -1.498 174.802 176.300 0.000 0.000 1.193 236 D CA -1.798 52.205 54.000 0.005 0.000 0.881 236 D CB 1.329 42.128 40.800 -0.000 0.000 1.143 236 D HN 0.208 nan 8.370 nan 0.000 0.473 237 P HA -0.150 nan 4.420 nan 0.000 0.218 237 P C 1.082 178.359 177.300 -0.038 0.000 1.149 237 P CA 0.997 64.084 63.100 -0.021 0.000 0.817 237 P CB 0.460 32.139 31.700 -0.034 0.000 0.785 238 K N -0.273 120.105 120.400 -0.036 0.000 2.063 238 K HA -0.135 4.185 4.320 0.000 0.000 0.208 238 K C 2.183 178.766 176.600 -0.028 0.000 1.048 238 K CA 1.021 57.285 56.287 -0.038 0.000 0.928 238 K CB -1.129 31.352 32.500 -0.033 0.000 0.713 238 K HN 0.040 nan 8.250 nan 0.000 0.442 239 L N 0.297 121.509 121.223 -0.018 0.000 2.056 239 L HA -0.108 4.232 4.340 0.000 0.000 0.207 239 L C 1.970 178.833 176.870 -0.010 0.000 1.078 239 L CA 1.288 56.120 54.840 -0.012 0.000 0.749 239 L CB -0.429 41.627 42.059 -0.006 0.000 0.901 239 L HN 0.166 nan 8.230 nan 0.000 0.433 240 L N 0.063 121.281 121.223 -0.009 0.000 2.046 240 L HA -0.087 4.253 4.340 0.000 0.000 0.208 240 L C 2.550 179.413 176.870 -0.011 0.000 1.077 240 L CA 2.053 56.890 54.840 -0.005 0.000 0.747 240 L CB -1.139 40.921 42.059 0.002 0.000 0.896 240 L HN 0.298 nan 8.230 nan 0.000 0.432 241 A N -0.371 122.434 122.820 -0.026 0.000 1.908 241 A HA -0.312 4.008 4.320 0.000 0.000 0.218 241 A C 2.476 180.046 177.584 -0.023 0.000 1.181 241 A CA 2.203 54.220 52.037 -0.033 0.000 0.627 241 A CB -0.729 18.238 19.000 -0.055 0.000 0.818 241 A HN 0.550 nan 8.150 nan 0.000 0.445 242 K N -0.353 120.034 120.400 -0.022 0.000 2.032 242 K HA -0.128 4.192 4.320 0.000 0.000 0.209 242 K C 1.879 178.475 176.600 -0.008 0.000 1.048 242 K CA 1.733 58.010 56.287 -0.016 0.000 0.927 242 K CB -0.329 32.162 32.500 -0.015 0.000 0.712 242 K HN 0.508 nan 8.250 nan 0.000 0.441 243 I N 1.298 121.865 120.570 -0.004 0.000 2.179 243 I HA -0.311 3.859 4.170 0.000 0.000 0.242 243 I C 2.284 178.404 176.117 0.005 0.000 1.088 243 I CA 1.060 62.361 61.300 0.001 0.000 1.357 243 I CB -0.220 37.782 38.000 0.003 0.000 1.051 243 I HN 0.210 nan 8.210 nan 0.000 0.409 244 L N 0.508 121.734 121.223 0.005 0.000 2.013 244 L HA -0.261 4.079 4.340 0.000 0.000 0.212 244 L C 1.980 178.857 176.870 0.012 0.000 1.073 244 L CA 1.459 56.306 54.840 0.012 0.000 0.753 244 L CB -0.811 41.255 42.059 0.011 0.000 0.890 244 L HN 0.370 nan 8.230 nan 0.000 0.432 245 N N 0.149 118.851 118.700 0.004 0.000 2.515 245 N HA -0.078 4.662 4.740 0.000 0.000 0.185 245 N C 1.571 177.086 175.510 0.007 0.000 1.109 245 N CA 0.906 53.959 53.050 0.004 0.000 0.903 245 N CB 0.114 38.596 38.487 -0.008 0.000 0.969 245 N HN 0.562 nan 8.380 nan 0.000 0.450 246 M N -2.800 116.804 119.600 0.007 0.000 2.333 246 M HA 0.340 4.820 4.480 0.000 0.000 0.257 246 M C -0.088 176.219 176.300 0.012 0.000 1.078 246 M CA -0.057 55.248 55.300 0.008 0.000 1.005 246 M CB 0.610 33.213 32.600 0.005 0.000 1.444 246 M HN -0.270 nan 8.290 nan 0.000 0.496 247 S N 0.523 116.231 115.700 0.014 0.000 2.823 247 S HA 0.383 4.853 4.470 0.000 0.000 0.316 247 S C 0.953 175.566 174.600 0.021 0.000 1.116 247 S CA -0.161 58.049 58.200 0.016 0.000 0.911 247 S CB 1.717 64.926 63.200 0.015 0.000 1.276 247 S HN 0.452 nan 8.310 nan 0.000 0.565 248 S N 0.262 115.975 115.700 0.022 0.000 2.507 248 S HA -0.010 4.460 4.470 0.000 0.000 0.235 248 S C 1.592 176.211 174.600 0.031 0.000 0.988 248 S CA 0.885 59.100 58.200 0.025 0.000 0.944 248 S CB -0.803 62.410 63.200 0.022 0.000 0.762 248 S HN 0.853 nan 8.310 nan 0.000 0.526 249 G N 1.217 110.036 108.800 0.032 0.000 2.813 249 G HA2 0.015 3.975 3.960 0.000 0.000 0.209 249 G HA3 0.015 3.975 3.960 0.000 0.000 0.209 249 G C 0.569 175.497 174.900 0.047 0.000 1.150 249 G CA -0.588 44.535 45.100 0.039 0.000 0.785 249 G HN 0.561 nan 8.290 nan 0.000 0.535 250 R N 0.327 120.853 120.500 0.042 0.000 2.538 250 R HA 0.270 4.611 4.340 0.000 0.000 0.282 250 R C -0.180 176.163 176.300 0.071 0.000 1.009 250 R CA 0.475 56.603 56.100 0.048 0.000 1.063 250 R CB -0.256 30.067 30.300 0.039 0.000 0.945 250 R HN 0.329 nan 8.270 nan 0.000 0.414 251 C N 1.813 121.168 119.300 0.091 0.000 3.323 251 C HA 0.389 4.849 4.460 0.000 0.000 0.324 251 C C 1.055 176.159 174.990 0.191 0.000 1.428 251 C CA -1.326 57.780 59.018 0.147 0.000 1.368 251 C CB 0.060 27.896 27.740 0.160 0.000 1.731 251 C HN 1.146 nan 8.230 nan 0.000 0.455 252 W N 1.592 122.922 121.300 0.049 0.000 2.338 252 W HA -0.071 4.589 4.660 0.000 0.000 0.304 252 W C 2.250 178.829 176.519 0.100 0.000 1.212 252 W CA 2.639 60.019 57.345 0.058 0.000 1.264 252 W CB -0.317 29.161 29.460 0.030 0.000 1.142 252 W HN 0.759 nan 8.180 nan 0.000 0.512 253 S N 0.010 115.954 115.700 0.405 0.000 2.374 253 S HA -0.284 4.186 4.470 0.000 0.000 0.227 253 S C 1.992 176.627 174.600 0.058 0.000 1.037 253 S CA 2.127 60.488 58.200 0.267 0.000 1.024 253 S CB -0.941 62.469 63.200 0.350 0.000 0.861 253 S HN 0.500 nan 8.310 nan 0.000 0.456 254 S N 1.887 117.617 115.700 0.051 0.000 2.439 254 S HA -0.062 4.408 4.470 0.000 0.000 0.224 254 S C 1.360 175.927 174.600 -0.055 0.000 1.029 254 S CA 0.979 59.178 58.200 -0.001 0.000 0.946 254 S CB -0.304 62.911 63.200 0.025 0.000 0.797 254 S HN 0.647 nan 8.310 nan 0.000 0.504 255 D N 0.229 120.587 120.400 -0.069 0.000 2.367 255 D HA 0.121 4.761 4.640 0.000 0.000 0.207 255 D C 1.220 177.419 176.300 -0.170 0.000 1.034 255 D CA 0.692 54.638 54.000 -0.091 0.000 0.861 255 D CB -0.298 40.478 40.800 -0.040 0.000 0.943 255 D HN 0.399 nan 8.370 nan 0.000 0.515 256 T N -1.891 112.471 114.554 -0.320 0.000 2.966 256 T HA 0.131 4.481 4.350 0.000 0.000 0.254 256 T C -0.344 174.098 174.700 -0.429 0.000 0.961 256 T CA -0.153 61.674 62.100 -0.455 0.000 0.915 256 T CB 0.511 68.892 68.868 -0.812 0.000 1.186 256 T HN 0.129 nan 8.240 nan 0.000 0.505 257 Y N 1.883 121.815 120.300 -0.614 0.000 2.810 257 Y HA 0.417 4.967 4.550 0.000 0.000 0.255 257 Y C 0.029 175.772 175.900 -0.262 0.000 0.979 257 Y CA -1.178 56.634 58.100 -0.481 0.000 1.106 257 Y CB 0.129 38.151 38.460 -0.729 0.000 1.209 257 Y HN 0.016 nan 8.280 nan 0.000 0.646 258 N N 2.751 121.348 118.700 -0.173 0.000 2.411 258 N HA -0.007 4.733 4.740 0.000 0.000 0.261 258 N C -1.734 173.681 175.510 -0.159 0.000 1.248 258 N CA -0.629 52.338 53.050 -0.139 0.000 0.885 258 N CB 0.894 39.290 38.487 -0.152 0.000 1.062 258 N HN 0.128 nan 8.380 nan 0.000 0.471 259 P HA -0.013 nan 4.420 nan 0.000 0.245 259 P C -0.640 176.537 177.300 -0.205 0.000 1.212 259 P CA 0.384 63.471 63.100 -0.022 0.000 0.774 259 P CB 0.306 32.053 31.700 0.079 0.000 0.999 260 V N 2.680 122.327 119.914 -0.445 0.000 2.383 260 V HA 0.267 4.387 4.120 0.000 0.000 0.275 260 V C -2.260 173.653 176.094 -0.302 0.000 1.036 260 V CA -2.196 59.695 62.300 -0.681 0.000 0.889 260 V CB 0.997 32.357 31.823 -0.771 0.000 0.985 260 V HN -0.070 nan 8.190 nan 0.000 0.459 261 P HA 0.264 nan 4.420 nan 0.000 0.267 261 P C 0.999 178.233 177.300 -0.110 0.000 1.205 261 P CA 1.139 64.155 63.100 -0.140 0.000 0.765 261 P CB 0.775 32.439 31.700 -0.060 0.000 0.828 262 G N 1.316 110.045 108.800 -0.118 0.000 2.213 262 G HA2 -0.285 3.676 3.960 0.000 0.000 0.236 262 G HA3 -0.285 3.676 3.960 0.000 0.000 0.236 262 G C 0.927 175.771 174.900 -0.095 0.000 0.991 262 G CA 0.219 45.266 45.100 -0.089 0.000 0.629 262 G HN 0.402 nan 8.290 nan 0.000 0.517 263 V N 0.693 120.533 119.914 -0.122 0.000 2.346 263 V HA 0.349 4.470 4.120 0.000 0.000 0.244 263 V C 1.507 177.535 176.094 -0.110 0.000 1.037 263 V CA 2.209 64.440 62.300 -0.115 0.000 1.029 263 V CB -0.131 31.608 31.823 -0.139 0.000 0.663 263 V HN 0.467 nan 8.190 nan 0.000 0.454 264 M N -0.187 119.334 119.600 -0.133 0.000 2.464 264 M HA 0.416 4.896 4.480 0.000 0.000 0.308 264 M C -1.329 174.891 176.300 -0.132 0.000 1.127 264 M CA -0.692 54.531 55.300 -0.129 0.000 0.913 264 M CB 2.198 34.706 32.600 -0.152 0.000 1.689 264 M HN 0.051 nan 8.290 nan 0.000 0.445 265 D N 0.801 121.136 120.400 -0.107 0.000 2.329 265 D HA 0.405 5.045 4.640 0.000 0.000 0.246 265 D C 1.092 177.326 176.300 -0.110 0.000 1.111 265 D CA 0.607 54.547 54.000 -0.100 0.000 0.941 265 D CB 1.059 41.816 40.800 -0.071 0.000 1.169 265 D HN 0.934 nan 8.370 nan 0.000 0.441 266 G N -0.550 108.186 108.800 -0.106 0.000 2.153 266 G HA2 -0.166 3.794 3.960 0.000 0.000 0.252 266 G HA3 -0.166 3.794 3.960 0.000 0.000 0.252 266 G C 0.250 175.066 174.900 -0.140 0.000 0.994 266 G CA 0.676 45.719 45.100 -0.095 0.000 0.698 266 G HN 0.682 nan 8.290 nan 0.000 0.521 267 V N -4.342 115.441 119.914 -0.218 0.000 2.960 267 V HA 0.842 4.962 4.120 0.000 0.000 0.315 267 V C -0.809 175.073 176.094 -0.354 0.000 1.087 267 V CA -1.650 60.426 62.300 -0.373 0.000 0.982 267 V CB 1.754 33.284 31.823 -0.489 0.000 1.039 267 V HN -0.061 nan 8.190 nan 0.000 0.437 268 P HA -0.158 nan 4.420 nan 0.000 0.216 268 P C 1.875 178.918 177.300 -0.428 0.000 1.150 268 P CA 2.278 65.217 63.100 -0.268 0.000 0.843 268 P CB 0.047 31.670 31.700 -0.129 0.000 0.787 269 S N -0.804 114.574 115.700 -0.538 0.000 2.469 269 S HA -0.070 4.400 4.470 0.000 0.000 0.238 269 S C 1.935 176.223 174.600 -0.520 0.000 0.998 269 S CA 0.966 58.678 58.200 -0.814 0.000 0.957 269 S CB -1.181 61.757 63.200 -0.436 0.000 0.764 269 S HN 0.131 nan 8.310 nan 0.000 0.514 270 A N 1.361 123.972 122.820 -0.348 0.000 2.167 270 A HA 0.207 4.527 4.320 0.000 0.000 0.214 270 A C 1.578 179.043 177.584 -0.199 0.000 1.151 270 A CA 0.989 52.887 52.037 -0.231 0.000 0.735 270 A CB -0.460 18.433 19.000 -0.178 0.000 0.802 270 A HN 0.552 nan 8.150 nan 0.000 0.467 271 N N -0.544 118.012 118.700 -0.239 0.000 2.536 271 N HA 0.045 4.785 4.740 0.000 0.000 0.286 271 N C -0.091 175.331 175.510 -0.148 0.000 1.577 271 N CA 0.045 53.003 53.050 -0.154 0.000 0.883 271 N CB -0.530 37.889 38.487 -0.113 0.000 1.390 271 N HN 0.192 nan 8.380 nan 0.000 0.491 272 N N 0.982 119.555 118.700 -0.211 0.000 2.716 272 N HA -0.293 4.447 4.740 0.000 0.000 0.250 272 N C -1.008 174.526 175.510 0.040 0.000 1.033 272 N CA 1.139 54.127 53.050 -0.105 0.000 0.727 272 N CB -1.646 36.853 38.487 0.021 0.000 0.950 272 N HN 0.456 nan 8.380 nan 0.000 0.541 273 Y N -3.425 116.889 120.300 0.023 0.000 4.079 273 Y HA -0.346 4.204 4.550 0.000 0.000 0.223 273 Y C 0.749 176.679 175.900 0.049 0.000 1.155 273 Y CA 1.151 59.275 58.100 0.040 0.000 1.805 273 Y CB -2.252 36.265 38.460 0.095 0.000 1.571 273 Y HN 0.450 nan 8.280 nan 0.000 0.654 274 Q N 0.373 120.231 119.800 0.097 0.000 2.373 274 Q HA 0.409 4.749 4.340 0.000 0.000 0.255 274 Q C 1.376 177.433 176.000 0.095 0.000 0.980 274 Q CA 0.465 56.319 55.803 0.084 0.000 0.882 274 Q CB 1.054 29.817 28.738 0.041 0.000 1.249 274 Q HN 0.506 nan 8.270 nan 0.000 0.438 275 G N 1.154 110.018 108.800 0.106 0.000 2.574 275 G HA2 -0.193 3.767 3.960 0.000 0.000 0.286 275 G HA3 -0.193 3.767 3.960 0.000 0.000 0.286 275 G C 0.539 175.555 174.900 0.193 0.000 1.212 275 G CA -0.202 44.973 45.100 0.125 0.000 0.979 275 G HN 1.435 nan 8.290 nan 0.000 0.557 276 G N -1.004 107.936 108.800 0.233 0.000 2.574 276 G HA2 0.140 4.100 3.960 0.000 0.000 0.286 276 G HA3 0.140 4.100 3.960 0.000 0.000 0.286 276 G C 0.176 175.347 174.900 0.451 0.000 1.212 276 G CA 0.978 46.309 45.100 0.386 0.000 0.979 276 G HN 2.159 nan 8.290 nan 0.000 0.557 277 F N 3.292 123.485 119.950 0.405 0.000 2.332 277 F HA 0.615 5.142 4.527 0.000 0.000 0.368 277 F C 0.979 176.970 175.800 0.317 0.000 1.110 277 F CA -0.307 57.878 58.000 0.308 0.000 1.087 277 F CB 0.713 39.871 39.000 0.265 0.000 1.235 277 F HN 0.872 nan 8.300 nan 0.000 0.470 278 G N 3.914 112.591 108.800 -0.205 0.000 2.353 278 G HA2 0.111 4.072 3.960 0.000 0.000 0.239 278 G HA3 0.111 4.072 3.960 0.000 0.000 0.239 278 G C 0.853 175.570 174.900 -0.306 0.000 1.295 278 G CA 0.042 45.038 45.100 -0.173 0.000 0.884 278 G HN 0.776 nan 8.290 nan 0.000 0.537 279 T N 2.280 116.805 114.554 -0.048 0.000 2.685 279 T HA -0.206 4.144 4.350 0.000 0.000 0.268 279 T C 2.725 177.360 174.700 -0.108 0.000 1.034 279 T CA 2.127 64.228 62.100 0.001 0.000 1.149 279 T CB -0.314 68.654 68.868 0.166 0.000 0.860 279 T HN 0.575 nan 8.240 nan 0.000 0.449 280 T N 2.267 116.759 114.554 -0.104 0.000 2.720 280 T HA -0.025 4.325 4.350 0.000 0.000 0.268 280 T C 1.947 176.534 174.700 -0.187 0.000 1.037 280 T CA 1.023 63.061 62.100 -0.104 0.000 1.144 280 T CB -0.433 68.391 68.868 -0.074 0.000 0.864 280 T HN 0.300 nan 8.240 nan 0.000 0.444 281 L N -0.083 120.933 121.223 -0.346 0.000 2.072 281 L HA -0.023 4.317 4.340 0.000 0.000 0.205 281 L C 2.627 179.230 176.870 -0.446 0.000 1.079 281 L CA 0.949 55.532 54.840 -0.428 0.000 0.752 281 L CB -0.530 41.142 42.059 -0.645 0.000 0.906 281 L HN 0.264 nan 8.230 nan 0.000 0.436 282 M N 0.674 119.861 119.600 -0.689 0.000 2.080 282 M HA -0.193 4.287 4.480 0.000 0.000 0.260 282 M C 2.304 178.427 176.300 -0.294 0.000 1.068 282 M CA 2.224 57.255 55.300 -0.448 0.000 1.109 282 M CB -0.570 31.608 32.600 -0.703 0.000 1.342 282 M HN 0.172 nan 8.290 nan 0.000 0.405 283 A N -0.094 122.600 122.820 -0.209 0.000 1.902 283 A HA -0.223 4.097 4.320 0.000 0.000 0.217 283 A C 2.295 179.856 177.584 -0.038 0.000 1.181 283 A CA 2.130 54.152 52.037 -0.025 0.000 0.623 283 A CB -0.923 18.111 19.000 0.057 0.000 0.818 283 A HN 0.656 nan 8.150 nan 0.000 0.443 284 K N -0.406 119.950 120.400 -0.073 0.000 2.009 284 K HA -0.242 4.078 4.320 0.000 0.000 0.210 284 K C 1.353 177.898 176.600 -0.092 0.000 1.049 284 K CA 1.958 58.206 56.287 -0.064 0.000 0.929 284 K CB -0.347 32.119 32.500 -0.056 0.000 0.714 284 K HN 0.342 nan 8.250 nan 0.000 0.440 285 D N 0.897 121.243 120.400 -0.090 0.000 2.144 285 D HA -0.141 4.500 4.640 0.000 0.000 0.199 285 D C 1.980 178.187 176.300 -0.154 0.000 0.984 285 D CA 0.949 54.892 54.000 -0.095 0.000 0.834 285 D CB -0.097 40.672 40.800 -0.052 0.000 0.955 285 D HN 0.266 nan 8.370 nan 0.000 0.465 286 L N 0.125 121.231 121.223 -0.194 0.000 2.156 286 L HA 0.016 4.356 4.340 0.000 0.000 0.208 286 L C 2.498 179.003 176.870 -0.608 0.000 1.095 286 L CA 0.987 55.653 54.840 -0.290 0.000 0.770 286 L CB -0.517 41.444 42.059 -0.164 0.000 0.914 286 L HN 0.072 nan 8.230 nan 0.000 0.439 287 G N 0.288 108.752 108.800 -0.561 0.000 2.418 287 G HA2 -0.209 3.751 3.960 0.000 0.000 0.217 287 G HA3 -0.209 3.751 3.960 0.000 0.000 0.217 287 G C 1.625 176.379 174.900 -0.244 0.000 1.158 287 G CA 0.492 45.313 45.100 -0.465 0.000 0.771 287 G HN 0.215 nan 8.290 nan 0.000 0.545 288 L N 0.579 121.697 121.223 -0.176 0.000 2.046 288 L HA -0.046 4.294 4.340 0.000 0.000 0.208 288 L C 3.425 180.224 176.870 -0.117 0.000 1.077 288 L CA 0.972 55.742 54.840 -0.116 0.000 0.747 288 L CB -0.422 41.583 42.059 -0.090 0.000 0.896 288 L HN 0.310 nan 8.230 nan 0.000 0.432 289 A N -0.389 122.344 122.820 -0.146 0.000 1.877 289 A HA -0.302 4.018 4.320 0.000 0.000 0.216 289 A C 2.200 179.726 177.584 -0.097 0.000 1.186 289 A CA 1.973 53.941 52.037 -0.115 0.000 0.620 289 A CB -0.570 18.360 19.000 -0.116 0.000 0.822 289 A HN 0.392 nan 8.150 nan 0.000 0.443 290 Q N 0.009 119.723 119.800 -0.143 0.000 2.030 290 Q HA -0.205 4.135 4.340 0.000 0.000 0.204 290 Q C 1.504 177.487 176.000 -0.029 0.000 0.986 290 Q CA 2.233 57.999 55.803 -0.061 0.000 0.843 290 Q CB -0.299 28.418 28.738 -0.036 0.000 0.904 290 Q HN 0.622 nan 8.270 nan 0.000 0.420 291 D N -0.925 119.448 120.400 -0.046 0.000 2.117 291 D HA -0.105 4.535 4.640 0.000 0.000 0.197 291 D C 1.929 178.213 176.300 -0.027 0.000 0.987 291 D CA 1.427 55.412 54.000 -0.026 0.000 0.829 291 D CB -0.281 40.500 40.800 -0.032 0.000 0.961 291 D HN 0.169 nan 8.370 nan 0.000 0.460 292 S N 0.034 115.710 115.700 -0.039 0.000 2.402 292 S HA -0.052 4.418 4.470 0.000 0.000 0.229 292 S C 2.013 176.596 174.600 -0.028 0.000 1.021 292 S CA 0.873 59.051 58.200 -0.036 0.000 0.974 292 S CB -0.018 63.155 63.200 -0.045 0.000 0.800 292 S HN 0.349 nan 8.310 nan 0.000 0.484 293 A N 1.242 124.047 122.820 -0.025 0.000 1.898 293 A HA -0.075 4.245 4.320 0.000 0.000 0.216 293 A C 2.306 179.885 177.584 -0.008 0.000 1.181 293 A CA 1.922 53.950 52.037 -0.016 0.000 0.620 293 A CB -1.268 17.727 19.000 -0.010 0.000 0.819 293 A HN 0.458 nan 8.150 nan 0.000 0.442 294 T N -0.368 114.183 114.554 -0.004 0.000 2.643 294 T HA -0.168 4.182 4.350 0.000 0.000 0.264 294 T C 2.308 177.004 174.700 -0.006 0.000 1.045 294 T CA 1.894 63.994 62.100 -0.000 0.000 1.155 294 T CB -0.499 68.373 68.868 0.006 0.000 0.863 294 T HN 0.571 nan 8.240 nan 0.000 0.420 295 S N 1.298 116.991 115.700 -0.010 0.000 2.365 295 S HA -0.190 4.280 4.470 0.000 0.000 0.225 295 S C 2.144 176.736 174.600 -0.014 0.000 1.039 295 S CA 2.296 60.488 58.200 -0.014 0.000 1.033 295 S CB -0.798 62.391 63.200 -0.019 0.000 0.887 295 S HN 0.746 nan 8.310 nan 0.000 0.447 296 T N -1.291 113.253 114.554 -0.016 0.000 3.129 296 T HA 0.282 4.632 4.350 0.000 0.000 0.251 296 T C 0.409 175.101 174.700 -0.013 0.000 1.117 296 T CA 0.165 62.256 62.100 -0.016 0.000 1.034 296 T CB -0.603 68.252 68.868 -0.021 0.000 0.968 296 T HN 0.557 nan 8.240 nan 0.000 0.526 297 K N 1.294 121.688 120.400 -0.009 0.000 3.077 297 K HA -0.130 4.190 4.320 0.000 0.000 0.264 297 K C -0.762 175.835 176.600 -0.006 0.000 1.008 297 K CA 0.364 56.647 56.287 -0.006 0.000 0.740 297 K CB -2.115 30.381 32.500 -0.006 0.000 1.273 297 K HN 0.514 nan 8.250 nan 0.000 0.477 298 S N 1.785 117.481 115.700 -0.006 0.000 2.429 298 S HA 0.343 4.814 4.470 0.000 0.000 0.302 298 S C -1.878 172.721 174.600 -0.001 0.000 1.115 298 S CA -1.219 56.977 58.200 -0.006 0.000 1.095 298 S CB 1.270 64.463 63.200 -0.011 0.000 0.987 298 S HN 0.088 nan 8.310 nan 0.000 0.474 299 P HA 0.294 nan 4.420 nan 0.000 0.276 299 P C -0.672 176.633 177.300 0.009 0.000 1.243 299 P CA -0.377 62.727 63.100 0.007 0.000 0.768 299 P CB 0.075 31.778 31.700 0.006 0.000 0.856 300 I N 0.462 121.041 120.570 0.015 0.000 2.698 300 I HA 0.247 4.417 4.170 0.000 0.000 0.276 300 I C 0.765 176.901 176.117 0.030 0.000 1.166 300 I CA -0.665 60.648 61.300 0.020 0.000 1.101 300 I CB 0.674 38.685 38.000 0.018 0.000 1.305 300 I HN 0.048 nan 8.210 nan 0.000 0.526 301 L N 2.396 123.635 121.223 0.027 0.000 2.005 301 L HA -0.086 4.254 4.340 0.000 0.000 0.207 301 L C 2.222 179.115 176.870 0.038 0.000 1.072 301 L CA 1.702 56.560 54.840 0.029 0.000 0.744 301 L CB -0.214 41.859 42.059 0.023 0.000 0.895 301 L HN 0.628 nan 8.230 nan 0.000 0.433 302 L N -0.940 120.307 121.223 0.040 0.000 2.109 302 L HA -0.068 4.273 4.340 0.000 0.000 0.207 302 L C 2.670 179.581 176.870 0.067 0.000 1.086 302 L CA 1.231 56.102 54.840 0.051 0.000 0.760 302 L CB -1.284 40.805 42.059 0.050 0.000 0.910 302 L HN 0.339 nan 8.230 nan 0.000 0.437 303 G N -0.601 108.236 108.800 0.061 0.000 2.422 303 G HA2 -0.236 3.724 3.960 0.000 0.000 0.218 303 G HA3 -0.236 3.724 3.960 0.000 0.000 0.218 303 G C 1.776 176.739 174.900 0.105 0.000 1.146 303 G CA 0.937 46.080 45.100 0.071 0.000 0.769 303 G HN 0.293 nan 8.290 nan 0.000 0.547 304 S N -0.025 115.732 115.700 0.095 0.000 2.356 304 S HA -0.086 4.385 4.470 0.000 0.000 0.223 304 S C 2.171 176.839 174.600 0.112 0.000 1.032 304 S CA 1.033 59.305 58.200 0.119 0.000 1.005 304 S CB -0.275 62.970 63.200 0.074 0.000 0.867 304 S HN 0.214 nan 8.310 nan 0.000 0.449 305 L N 1.845 123.115 121.223 0.079 0.000 2.056 305 L HA 0.075 4.415 4.340 0.000 0.000 0.207 305 L C 2.388 179.307 176.870 0.083 0.000 1.078 305 L CA 1.773 56.648 54.840 0.058 0.000 0.749 305 L CB -1.340 40.745 42.059 0.043 0.000 0.901 305 L HN 0.256 nan 8.230 nan 0.000 0.433 306 A N -1.426 121.469 122.820 0.125 0.000 1.908 306 A HA -0.325 3.995 4.320 0.000 0.000 0.218 306 A C 2.380 180.138 177.584 0.290 0.000 1.181 306 A CA 1.967 54.120 52.037 0.193 0.000 0.627 306 A CB -1.144 17.990 19.000 0.224 0.000 0.818 306 A HN 0.729 nan 8.150 nan 0.000 0.445 307 H N -0.885 118.261 119.070 0.128 0.000 2.290 307 H HA -0.173 4.383 4.556 0.000 0.000 0.298 307 H C 2.071 177.451 175.328 0.087 0.000 1.087 307 H CA 1.528 57.641 56.048 0.108 0.000 1.291 307 H CB 0.074 29.869 29.762 0.055 0.000 1.369 307 H HN 0.438 nan 8.280 nan 0.000 0.492 308 Q N 0.553 120.319 119.800 -0.055 0.000 2.167 308 Q HA -0.100 4.240 4.340 0.000 0.000 0.202 308 Q C 2.602 178.557 176.000 -0.075 0.000 0.970 308 Q CA 0.930 56.644 55.803 -0.148 0.000 0.855 308 Q CB -0.225 28.450 28.738 -0.106 0.000 0.911 308 Q HN 0.616 nan 8.270 nan 0.000 0.438 309 I N -0.397 120.147 120.570 -0.043 0.000 2.179 309 I HA -0.283 3.887 4.170 0.000 0.000 0.242 309 I C 1.906 177.853 176.117 -0.283 0.000 1.088 309 I CA 1.215 62.436 61.300 -0.132 0.000 1.357 309 I CB -0.276 37.634 38.000 -0.151 0.000 1.051 309 I HN 0.081 nan 8.210 nan 0.000 0.409 310 Y N 0.280 120.531 120.300 -0.083 0.000 2.314 310 Y HA -0.195 4.355 4.550 0.000 0.000 0.293 310 Y C 2.653 178.486 175.900 -0.112 0.000 1.129 310 Y CA 1.159 59.198 58.100 -0.102 0.000 1.201 310 Y CB -0.381 38.080 38.460 0.002 0.000 0.999 310 Y HN 0.028 nan 8.280 nan 0.000 0.541 311 R N 0.288 120.823 120.500 0.059 0.000 2.083 311 R HA -0.186 4.154 4.340 0.000 0.000 0.237 311 R C 2.096 178.352 176.300 -0.072 0.000 1.137 311 R CA 1.858 57.951 56.100 -0.012 0.000 0.951 311 R CB -0.504 29.745 30.300 -0.086 0.000 0.851 311 R HN 0.280 nan 8.270 nan 0.000 0.434 312 M N -0.534 118.989 119.600 -0.129 0.000 2.080 312 M HA -0.225 4.255 4.480 0.000 0.000 0.260 312 M C 2.347 178.487 176.300 -0.267 0.000 1.068 312 M CA 2.052 57.261 55.300 -0.152 0.000 1.109 312 M CB -0.289 32.246 32.600 -0.107 0.000 1.342 312 M HN 0.239 nan 8.290 nan 0.000 0.405 313 M N -0.696 118.594 119.600 -0.517 0.000 2.144 313 M HA -0.273 4.207 4.480 0.000 0.000 0.260 313 M C 2.285 178.540 176.300 -0.076 0.000 1.067 313 M CA 1.375 56.356 55.300 -0.531 0.000 1.095 313 M CB -0.731 31.463 32.600 -0.676 0.000 1.365 313 M HN 0.420 nan 8.290 nan 0.000 0.406 314 C N -0.024 119.254 119.300 -0.036 0.000 2.419 314 C HA -0.060 4.400 4.460 0.000 0.000 0.281 314 C C 2.711 177.714 174.990 0.022 0.000 1.336 314 C CA 1.072 60.103 59.018 0.021 0.000 1.770 314 C CB -1.330 26.420 27.740 0.018 0.000 1.929 314 C HN 0.632 nan 8.230 nan 0.000 0.509 315 A N -0.610 122.214 122.820 0.007 0.000 2.308 315 A HA 0.105 4.425 4.320 0.000 0.000 0.217 315 A C 1.483 179.094 177.584 0.045 0.000 1.216 315 A CA 0.442 52.491 52.037 0.019 0.000 0.864 315 A CB -0.172 18.833 19.000 0.009 0.000 0.902 315 A HN 0.678 nan 8.150 nan 0.000 0.499 316 K N -0.863 119.586 120.400 0.082 0.000 2.537 316 K HA 0.342 4.662 4.320 0.000 0.000 0.206 316 K C 0.657 177.349 176.600 0.154 0.000 1.041 316 K CA 0.312 56.691 56.287 0.153 0.000 1.090 316 K CB 0.531 33.172 32.500 0.235 0.000 0.833 316 K HN 0.494 nan 8.250 nan 0.000 0.493 317 G N 0.829 109.660 108.800 0.051 0.000 2.141 317 G HA2 -0.290 3.670 3.960 0.000 0.000 0.231 317 G HA3 -0.290 3.670 3.960 0.000 0.000 0.231 317 G C 0.237 174.997 174.900 -0.234 0.000 0.984 317 G CA -0.117 44.923 45.100 -0.099 0.000 0.660 317 G HN 0.381 nan 8.290 nan 0.000 0.525 318 Y N 1.202 121.483 120.300 -0.032 0.000 2.449 318 Y HA 0.169 4.719 4.550 0.000 0.000 0.254 318 Y C 2.696 178.591 175.900 -0.010 0.000 1.140 318 Y CA 1.090 59.171 58.100 -0.031 0.000 1.272 318 Y CB 0.277 38.683 38.460 -0.090 0.000 1.114 318 Y HN 0.453 nan 8.280 nan 0.000 0.525 319 S N 0.567 116.326 115.700 0.098 0.000 2.400 319 S HA -0.250 4.220 4.470 0.000 0.000 0.234 319 S C 1.573 176.195 174.600 0.037 0.000 1.049 319 S CA 1.514 59.746 58.200 0.054 0.000 1.039 319 S CB -0.236 62.978 63.200 0.024 0.000 0.856 319 S HN 0.339 nan 8.310 nan 0.000 0.465 320 K N 1.022 121.443 120.400 0.035 0.000 2.374 320 K HA 0.278 4.598 4.320 0.000 0.000 0.196 320 K C 0.129 176.771 176.600 0.069 0.000 1.023 320 K CA 0.069 56.377 56.287 0.035 0.000 1.103 320 K CB 0.295 32.807 32.500 0.021 0.000 0.848 320 K HN 0.451 nan 8.250 nan 0.000 0.528 321 K N 1.674 122.136 120.400 0.102 0.000 2.098 321 K HA 0.076 4.397 4.320 0.000 0.000 0.261 321 K C -0.482 176.243 176.600 0.208 0.000 0.987 321 K CA -0.493 55.894 56.287 0.166 0.000 0.916 321 K CB 0.954 33.565 32.500 0.186 0.000 1.039 321 K HN -0.049 nan 8.250 nan 0.000 0.455 322 D N 0.860 121.420 120.400 0.267 0.000 2.472 322 D HA -0.098 4.542 4.640 0.000 0.000 0.237 322 D C 0.982 177.472 176.300 0.316 0.000 1.141 322 D CA -0.015 54.182 54.000 0.328 0.000 0.875 322 D CB 0.415 41.421 40.800 0.344 0.000 1.192 322 D HN 0.426 nan 8.370 nan 0.000 0.450 323 F N 1.860 121.981 119.950 0.285 0.000 2.307 323 F HA -0.125 4.402 4.527 0.000 0.000 0.301 323 F C 2.017 178.071 175.800 0.424 0.000 1.076 323 F CA 0.895 59.086 58.000 0.319 0.000 1.383 323 F CB -1.200 37.882 39.000 0.137 0.000 1.055 323 F HN 0.283 nan 8.300 nan 0.000 0.526 324 S N 0.332 115.836 115.700 -0.326 0.000 2.515 324 S HA -0.159 4.311 4.470 0.000 0.000 0.231 324 S C 1.930 176.518 174.600 -0.020 0.000 0.987 324 S CA 0.576 58.692 58.200 -0.140 0.000 0.936 324 S CB -1.335 61.833 63.200 -0.054 0.000 0.766 324 S HN 0.608 nan 8.310 nan 0.000 0.528 325 S N 1.055 116.604 115.700 -0.252 0.000 2.571 325 S HA -0.042 4.429 4.470 0.000 0.000 0.245 325 S C 1.544 175.945 174.600 -0.331 0.000 0.976 325 S CA 0.684 58.395 58.200 -0.816 0.000 0.954 325 S CB -0.913 62.022 63.200 -0.442 0.000 0.756 325 S HN 0.464 nan 8.310 nan 0.000 0.535 326 V N 0.853 120.693 119.914 -0.124 0.000 2.469 326 V HA -0.106 4.014 4.120 0.000 0.000 0.251 326 V C 1.772 177.866 176.094 -0.000 0.000 1.064 326 V CA 2.028 64.261 62.300 -0.112 0.000 1.066 326 V CB -0.875 30.872 31.823 -0.127 0.000 0.667 326 V HN 0.635 nan 8.190 nan 0.000 0.461 327 F N 1.009 120.916 119.950 -0.073 0.000 2.102 327 F HA -0.217 4.311 4.527 0.000 0.000 0.298 327 F C 2.448 178.240 175.800 -0.013 0.000 1.105 327 F CA 2.564 60.557 58.000 -0.011 0.000 1.239 327 F CB -0.505 38.535 39.000 0.065 0.000 0.991 327 F HN 0.267 nan 8.300 nan 0.000 0.474 328 Q N -0.723 119.041 119.800 -0.060 0.000 2.084 328 Q HA -0.257 4.083 4.340 0.000 0.000 0.202 328 Q C 2.303 178.280 176.000 -0.038 0.000 0.978 328 Q CA 1.935 57.711 55.803 -0.046 0.000 0.844 328 Q CB -0.595 28.199 28.738 0.093 0.000 0.898 328 Q HN 0.505 nan 8.270 nan 0.000 0.426 329 F N 0.789 120.567 119.950 -0.288 0.000 2.161 329 F HA -0.170 4.357 4.527 0.000 0.000 0.300 329 F C 1.555 177.191 175.800 -0.272 0.000 1.089 329 F CA 1.301 59.063 58.000 -0.396 0.000 1.282 329 F CB -0.088 38.438 39.000 -0.790 0.000 1.010 329 F HN 0.068 nan 8.300 nan 0.000 0.485 330 L N -0.575 120.416 121.223 -0.387 0.000 2.240 330 L HA -0.023 4.317 4.340 0.000 0.000 0.211 330 L C 1.744 178.370 176.870 -0.407 0.000 1.106 330 L CA 0.389 54.967 54.840 -0.436 0.000 0.793 330 L CB -0.447 41.447 42.059 -0.275 0.000 0.927 330 L HN -0.108 nan 8.230 nan 0.000 0.446 331 R N 0.000 120.228 120.500 -0.454 0.000 2.786 331 R HA 0.000 4.340 4.340 0.000 0.000 0.208 331 R CA 0.000 55.868 56.100 -0.387 0.000 0.921 331 R CB 0.000 29.983 30.300 -0.529 0.000 0.687 331 R HN 0.000 nan 8.270 nan 0.000 0.535