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 1sid_1_B DATA FIRST_RESID 17 DATA SEQUENCE KACPRPAPVP KLLIKGGMEV LDLVTGPDSV TEIEAFLNPR MGQPPTPESL DATA SEQUENCE TEGGQYYGWS RGINLATSDT EDSPGNNTLP TWSMAKLQLP MLNEDLTCDT DATA SEQUENCE LQMWEAVSVK TEVVGSGSLL DVHGFNKPTD TVNTKGISTP VEGSQYHVFA DATA SEQUENCE VGGEPLDLQG LVTDARTKYK EEGVVTIKTI TKKDMVNKDQ VLNPISKAKL DATA SEQUENCE DKDGMYPVEI WHPDPAKNEN TRYFGNYTGG TTTPPVLQFT NTLTTVLLDE DATA SEQUENCE NGVGPLCKGE GLYLSCVDIM GWRVTRNYDV HHWRGLPRYF KITLRKRWVK DATA SEQUENCE NPYPMASLIS SLFNNMLPQV QGQPMEGENT QVEEVRVYDG TEPVPGDPDM DATA SEQUENCE TRYVDRFGKT KTVFPGN 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 17 K HA 0.000 nan 4.320 nan 0.000 0.191 17 K C 0.000 176.601 176.600 0.002 0.000 0.988 17 K CA 0.000 56.288 56.287 0.002 0.000 0.838 17 K CB 0.000 32.501 32.500 0.002 0.000 1.064 18 A N 1.935 124.756 122.820 0.002 0.000 3.033 18 A HA 0.263 4.583 4.320 -0.000 0.000 0.250 18 A C -0.236 177.349 177.584 0.002 0.000 1.633 18 A CA -0.179 51.859 52.037 0.002 0.000 1.290 18 A CB -1.435 17.567 19.000 0.002 0.000 1.048 18 A HN 0.416 nan 8.150 nan 0.000 0.648 19 C N 3.007 122.308 119.300 0.002 0.000 2.638 19 C HA 0.232 4.692 4.460 -0.000 0.000 0.410 19 C C -1.418 173.573 174.990 0.002 0.000 1.404 19 C CA -0.939 58.080 59.018 0.002 0.000 1.651 19 C CB -0.617 27.124 27.740 0.002 0.000 2.495 19 C HN 0.665 nan 8.230 nan 0.000 0.606 20 P HA -0.092 nan 4.420 nan 0.000 0.263 20 P C -0.368 176.934 177.300 0.002 0.000 1.162 20 P CA 0.631 63.733 63.100 0.002 0.000 0.758 20 P CB 0.392 32.093 31.700 0.002 0.000 0.773 21 R N 4.109 124.611 120.500 0.003 0.000 2.216 21 R HA 0.285 4.625 4.340 -0.000 0.000 0.332 21 R C -1.252 175.050 176.300 0.004 0.000 1.056 21 R CA -1.428 54.674 56.100 0.003 0.000 0.901 21 R CB -0.525 29.778 30.300 0.004 0.000 1.039 21 R HN 0.519 nan 8.270 nan 0.000 0.456 22 P HA -0.006 nan 4.420 nan 0.000 0.270 22 P C -0.282 177.021 177.300 0.004 0.000 1.221 22 P CA -0.307 62.795 63.100 0.003 0.000 0.788 22 P CB 0.462 32.164 31.700 0.003 0.000 0.904 23 A N 2.235 125.058 122.820 0.004 0.000 2.492 23 A HA 0.336 4.656 4.320 -0.000 0.000 0.236 23 A C -1.949 175.639 177.584 0.006 0.000 1.078 23 A CA -0.626 51.414 52.037 0.005 0.000 0.773 23 A CB -1.475 17.528 19.000 0.005 0.000 1.023 23 A HN 0.451 nan 8.150 nan 0.000 0.504 24 P HA 0.527 nan 4.420 nan 0.000 0.301 24 P C -1.090 176.216 177.300 0.010 0.000 1.348 24 P CA -0.276 62.830 63.100 0.009 0.000 0.826 24 P CB 1.334 33.040 31.700 0.010 0.000 0.945 25 V N 4.368 124.288 119.914 0.010 0.000 2.960 25 V HA 0.564 4.684 4.120 -0.000 0.000 0.315 25 V C -1.929 174.173 176.094 0.013 0.000 1.087 25 V CA -1.860 60.446 62.300 0.011 0.000 0.982 25 V CB 1.557 33.386 31.823 0.010 0.000 1.039 25 V HN 0.544 nan 8.190 nan 0.000 0.437 26 P HA 0.225 nan 4.420 nan 0.000 0.276 26 P C -0.963 176.347 177.300 0.017 0.000 1.230 26 P CA -0.450 62.661 63.100 0.018 0.000 0.776 26 P CB 1.014 32.726 31.700 0.021 0.000 0.888 27 K N 3.009 123.419 120.400 0.018 0.000 2.285 27 K HA 0.212 4.532 4.320 -0.000 0.000 0.286 27 K C -0.231 176.379 176.600 0.017 0.000 1.072 27 K CA -0.778 55.519 56.287 0.016 0.000 0.913 27 K CB 0.293 32.803 32.500 0.016 0.000 1.067 27 K HN 0.383 nan 8.250 nan 0.000 0.479 28 L N 6.102 127.334 121.223 0.015 0.000 2.360 28 L HA 0.075 4.415 4.340 -0.000 0.000 0.276 28 L C 0.635 177.514 176.870 0.015 0.000 1.121 28 L CA 0.206 55.055 54.840 0.015 0.000 0.845 28 L CB 0.573 42.640 42.059 0.012 0.000 1.143 28 L HN 0.835 nan 8.230 nan 0.000 0.452 29 L N 5.531 126.764 121.223 0.017 0.000 2.034 29 L HA 0.162 4.502 4.340 -0.000 0.000 0.203 29 L C 0.745 177.623 176.870 0.014 0.000 1.074 29 L CA 1.039 55.889 54.840 0.017 0.000 0.748 29 L CB 0.045 42.117 42.059 0.022 0.000 0.905 29 L HN 0.695 nan 8.230 nan 0.000 0.439 30 I N -0.827 119.750 120.570 0.012 0.000 2.828 30 I HA 0.200 4.370 4.170 -0.000 0.000 0.295 30 I C -1.625 174.495 176.117 0.005 0.000 1.459 30 I CA -0.717 60.588 61.300 0.009 0.000 1.015 30 I CB 2.230 40.235 38.000 0.009 0.000 1.345 30 I HN 0.065 nan 8.210 nan 0.000 0.449 31 K N 5.017 125.419 120.400 0.004 0.000 2.378 31 K HA 1.032 5.352 4.320 -0.000 0.000 0.244 31 K C -0.389 176.211 176.600 -0.001 0.000 1.039 31 K CA -0.290 55.997 56.287 0.001 0.000 0.863 31 K CB 2.378 34.881 32.500 0.004 0.000 1.326 31 K HN 1.062 nan 8.250 nan 0.000 0.460 32 G N -0.641 108.157 108.800 -0.003 0.000 2.320 32 G HA2 0.293 4.253 3.960 -0.000 0.000 0.274 32 G HA3 0.293 4.253 3.960 -0.000 0.000 0.274 32 G C -0.283 174.610 174.900 -0.011 0.000 1.324 32 G CA -0.570 44.528 45.100 -0.003 0.000 0.957 32 G HN 0.861 nan 8.290 nan 0.000 0.481 33 G N -1.235 107.557 108.800 -0.013 0.000 2.468 33 G HA2 0.440 4.400 3.960 -0.000 0.000 0.264 33 G HA3 0.440 4.400 3.960 -0.000 0.000 0.264 33 G C 1.440 176.315 174.900 -0.041 0.000 1.460 33 G CA 0.462 45.548 45.100 -0.024 0.000 1.060 33 G HN 0.534 nan 8.290 nan 0.000 0.543 34 M N 0.771 120.339 119.600 -0.054 0.000 2.149 34 M HA -0.083 4.397 4.480 -0.000 0.000 0.261 34 M C 2.593 178.863 176.300 -0.050 0.000 1.064 34 M CA 1.404 56.662 55.300 -0.070 0.000 1.102 34 M CB -1.112 31.438 32.600 -0.083 0.000 1.369 34 M HN 0.776 nan 8.290 nan 0.000 0.408 35 E N 0.546 120.727 120.200 -0.033 0.000 2.171 35 E HA -0.143 4.207 4.350 -0.000 0.000 0.197 35 E C 1.948 178.541 176.600 -0.011 0.000 0.997 35 E CA 1.476 57.865 56.400 -0.018 0.000 0.810 35 E CB -1.504 28.189 29.700 -0.012 0.000 0.738 35 E HN 0.337 nan 8.360 nan 0.000 0.467 36 V N 1.270 121.175 119.914 -0.015 0.000 2.370 36 V HA -0.296 3.824 4.120 -0.000 0.000 0.252 36 V C 2.610 178.704 176.094 0.001 0.000 1.068 36 V CA 1.879 64.174 62.300 -0.007 0.000 1.061 36 V CB -0.686 31.129 31.823 -0.014 0.000 0.656 36 V HN 0.146 nan 8.190 nan 0.000 0.455 37 L N -0.083 121.133 121.223 -0.012 0.000 2.042 37 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 37 L C 2.140 179.043 176.870 0.056 0.000 1.076 37 L CA 2.080 56.926 54.840 0.011 0.000 0.749 37 L CB -1.107 40.932 42.059 -0.033 0.000 0.893 37 L HN 0.313 nan 8.230 nan 0.000 0.432 38 D N -0.574 119.846 120.400 0.033 0.000 2.200 38 D HA -0.195 4.445 4.640 -0.000 0.000 0.192 38 D C 0.964 177.289 176.300 0.041 0.000 1.008 38 D CA 0.887 54.908 54.000 0.036 0.000 0.872 38 D CB -0.410 40.401 40.800 0.018 0.000 0.923 38 D HN 0.094 nan 8.370 nan 0.000 0.447 39 L N 0.962 122.206 121.223 0.036 0.000 2.525 39 L HA 0.012 4.352 4.340 -0.000 0.000 0.278 39 L C -0.161 176.738 176.870 0.047 0.000 1.218 39 L CA -0.082 54.779 54.840 0.035 0.000 0.878 39 L CB 0.523 42.600 42.059 0.029 0.000 1.127 39 L HN -0.207 nan 8.230 nan 0.000 0.492 40 V N 5.704 125.639 119.914 0.035 0.000 2.814 40 V HA 0.005 4.125 4.120 -0.000 0.000 0.307 40 V C 1.336 177.455 176.094 0.042 0.000 1.089 40 V CA 1.038 63.357 62.300 0.032 0.000 1.212 40 V CB 0.622 32.458 31.823 0.021 0.000 0.912 40 V HN 1.123 nan 8.190 nan 0.000 0.497 41 T N 0.470 115.052 114.554 0.046 0.000 3.111 41 T HA 0.591 4.941 4.350 -0.000 0.000 0.236 41 T C 0.846 175.569 174.700 0.039 0.000 0.984 41 T CA 0.524 62.660 62.100 0.060 0.000 1.195 41 T CB 0.571 69.508 68.868 0.114 0.000 0.929 41 T HN 1.413 nan 8.240 nan 0.000 0.431 42 G N 2.137 110.948 108.800 0.019 0.000 2.217 42 G HA2 0.201 4.161 3.960 -0.000 0.000 0.173 42 G HA3 0.201 4.161 3.960 -0.000 0.000 0.173 42 G C -2.411 172.489 174.900 -0.001 0.000 1.324 42 G CA 0.049 45.159 45.100 0.018 0.000 1.225 42 G HN 0.366 nan 8.290 nan 0.000 0.494 43 P HA 0.324 nan 4.420 nan 0.000 0.394 43 P C -0.328 176.978 177.300 0.010 0.000 1.272 43 P CA 0.547 63.643 63.100 -0.006 0.000 1.467 43 P CB 1.769 33.505 31.700 0.060 0.000 1.604 44 D N -0.146 120.276 120.400 0.037 0.000 2.455 44 D HA 0.029 4.669 4.640 -0.000 0.000 0.228 44 D C 0.404 176.741 176.300 0.062 0.000 1.070 44 D CA 0.599 54.628 54.000 0.049 0.000 0.881 44 D CB -0.092 40.738 40.800 0.050 0.000 1.087 44 D HN 0.053 nan 8.370 nan 0.000 0.498 45 S N 1.853 117.591 115.700 0.063 0.000 3.361 45 S HA 0.066 4.536 4.470 -0.000 0.000 0.396 45 S C 0.615 175.288 174.600 0.121 0.000 1.165 45 S CA -0.295 57.953 58.200 0.080 0.000 1.192 45 S CB -0.366 62.881 63.200 0.079 0.000 0.843 45 S HN -0.028 nan 8.310 nan 0.000 0.528 46 V N 3.205 123.174 119.914 0.092 0.000 2.863 46 V HA 0.591 4.711 4.120 -0.000 0.000 0.307 46 V C 0.653 176.774 176.094 0.046 0.000 1.061 46 V CA -0.834 61.519 62.300 0.088 0.000 1.024 46 V CB 1.383 33.242 31.823 0.060 0.000 1.049 46 V HN 0.905 nan 8.190 nan 0.000 0.471 47 T N 2.226 116.776 114.554 -0.005 0.000 2.861 47 T HA 0.483 4.833 4.350 -0.000 0.000 0.287 47 T C -0.677 173.970 174.700 -0.088 0.000 1.003 47 T CA -0.527 61.523 62.100 -0.083 0.000 0.977 47 T CB 1.532 70.257 68.868 -0.237 0.000 0.996 47 T HN 0.760 nan 8.240 nan 0.000 0.448 48 E N 2.273 122.432 120.200 -0.069 0.000 2.165 48 E HA 0.483 4.833 4.350 -0.000 0.000 0.266 48 E C -0.822 175.731 176.600 -0.078 0.000 0.889 48 E CA -0.537 55.830 56.400 -0.054 0.000 0.756 48 E CB 1.479 31.170 29.700 -0.015 0.000 1.131 48 E HN 0.512 nan 8.360 nan 0.000 0.411 49 I N 3.150 123.661 120.570 -0.098 0.000 2.411 49 I HA 0.235 4.405 4.170 -0.000 0.000 0.284 49 I C -0.442 175.597 176.117 -0.131 0.000 1.012 49 I CA -0.642 60.586 61.300 -0.119 0.000 1.119 49 I CB 1.475 39.378 38.000 -0.162 0.000 1.261 49 I HN 0.347 nan 8.210 nan 0.000 0.448 50 E N 4.677 124.802 120.200 -0.125 0.000 2.277 50 E HA 0.839 5.189 4.350 -0.000 0.000 0.274 50 E C -0.295 176.215 176.600 -0.151 0.000 1.022 50 E CA -0.263 55.996 56.400 -0.235 0.000 0.853 50 E CB 2.034 31.673 29.700 -0.102 0.000 1.086 50 E HN 0.731 nan 8.360 nan 0.000 0.397 51 A N 1.487 124.209 122.820 -0.163 0.000 2.552 51 A HA 0.771 5.091 4.320 -0.000 0.000 0.308 51 A C -1.794 175.904 177.584 0.189 0.000 1.114 51 A CA -0.709 51.309 52.037 -0.031 0.000 0.610 51 A CB 0.667 19.536 19.000 -0.218 0.000 1.402 51 A HN 0.682 nan 8.150 nan 0.000 0.563 52 F N -2.887 117.064 119.950 0.002 0.000 2.878 52 F HA 0.739 5.266 4.527 -0.000 0.000 0.322 52 F C -2.393 173.443 175.800 0.060 0.000 1.154 52 F CA -1.164 56.941 58.000 0.175 0.000 0.896 52 F CB 0.415 39.525 39.000 0.183 0.000 1.313 52 F HN 0.490 nan 8.300 nan 0.000 0.451 53 L N 2.180 123.605 121.223 0.336 0.000 2.362 53 L HA 0.514 4.854 4.340 -0.000 0.000 0.271 53 L C -0.576 176.511 176.870 0.361 0.000 1.002 53 L CA -1.009 53.930 54.840 0.164 0.000 0.818 53 L CB 1.618 43.749 42.059 0.120 0.000 1.298 53 L HN 0.801 nan 8.230 nan 0.000 0.420 54 N N 3.086 121.948 118.700 0.271 0.000 2.509 54 N HA 0.434 5.174 4.740 -0.000 0.000 0.287 54 N C -2.335 173.240 175.510 0.109 0.000 1.121 54 N CA -1.272 51.901 53.050 0.204 0.000 0.977 54 N CB 1.245 39.848 38.487 0.193 0.000 1.167 54 N HN 0.378 nan 8.380 nan 0.000 0.476 55 P HA 0.086 nan 4.420 nan 0.000 0.268 55 P C -1.220 176.069 177.300 -0.018 0.000 1.485 55 P CA 0.223 63.317 63.100 -0.010 0.000 1.102 55 P CB 0.045 31.699 31.700 -0.078 0.000 1.501 56 R N 4.802 125.326 120.500 0.040 0.000 2.287 56 R HA 0.404 4.744 4.340 -0.000 0.000 0.327 56 R C 0.556 176.865 176.300 0.015 0.000 1.109 56 R CA -0.199 55.943 56.100 0.070 0.000 1.013 56 R CB 0.401 30.780 30.300 0.132 0.000 1.126 56 R HN 0.507 nan 8.270 nan 0.000 0.503 57 M N 0.644 120.227 119.600 -0.029 0.000 1.999 57 M HA 0.520 5.000 4.480 -0.000 0.000 0.299 57 M C 0.165 176.430 176.300 -0.058 0.000 0.900 57 M CA -0.511 54.718 55.300 -0.118 0.000 0.904 57 M CB 1.656 34.095 32.600 -0.268 0.000 1.477 57 M HN 0.617 nan 8.290 nan 0.000 0.403 58 G N 3.081 111.873 108.800 -0.013 0.000 2.972 58 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.265 58 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.265 58 G C -0.308 174.656 174.900 0.107 0.000 1.506 58 G CA 0.357 45.485 45.100 0.046 0.000 1.016 58 G HN 0.979 nan 8.290 nan 0.000 0.563 59 Q N 4.492 124.393 119.800 0.168 0.000 2.255 59 Q HA 0.500 4.840 4.340 -0.000 0.000 0.280 59 Q C -1.584 174.544 176.000 0.213 0.000 1.068 59 Q CA -0.713 55.212 55.803 0.203 0.000 0.911 59 Q CB 0.938 29.863 28.738 0.311 0.000 1.157 59 Q HN 0.589 nan 8.270 nan 0.000 0.380 60 P HA 0.169 nan 4.420 nan 0.000 0.278 60 P C -2.289 174.883 177.300 -0.212 0.000 1.266 60 P CA -1.397 61.719 63.100 0.026 0.000 0.807 60 P CB 0.945 32.644 31.700 -0.001 0.000 1.094 61 P HA -0.212 nan 4.420 nan 0.000 0.214 61 P C 1.579 178.598 177.300 -0.468 0.000 1.163 61 P CA 2.459 64.985 63.100 -0.955 0.000 0.883 61 P CB -1.051 30.326 31.700 -0.538 0.000 0.788 62 T N -2.067 112.344 114.554 -0.239 0.000 2.701 62 T HA -0.156 4.194 4.350 -0.000 0.000 0.265 62 T C -1.216 173.419 174.700 -0.107 0.000 1.032 62 T CA 1.294 63.314 62.100 -0.133 0.000 1.158 62 T CB -2.828 65.992 68.868 -0.080 0.000 0.854 62 T HN 0.192 nan 8.240 nan 0.000 0.463 63 P HA 0.346 nan 4.420 nan 0.000 0.241 63 P C 0.455 177.706 177.300 -0.081 0.000 1.760 63 P CA -0.111 62.946 63.100 -0.072 0.000 1.081 63 P CB 0.015 31.683 31.700 -0.055 0.000 1.975 64 E N 0.345 120.501 120.200 -0.074 0.000 2.130 64 E HA -0.149 4.201 4.350 -0.000 0.000 0.196 64 E C 0.708 177.289 176.600 -0.032 0.000 0.998 64 E CA 0.932 57.300 56.400 -0.054 0.000 0.806 64 E CB 0.003 29.681 29.700 -0.036 0.000 0.738 64 E HN 0.223 nan 8.360 nan 0.000 0.459 65 S N -0.286 115.393 115.700 -0.035 0.000 2.510 65 S HA 0.071 4.541 4.470 -0.000 0.000 0.279 65 S C 0.901 175.470 174.600 -0.050 0.000 1.284 65 S CA -0.481 57.700 58.200 -0.031 0.000 1.059 65 S CB 0.343 63.526 63.200 -0.028 0.000 0.901 65 S HN 0.244 nan 8.310 nan 0.000 0.491 66 L N 4.196 125.396 121.223 -0.037 0.000 2.749 66 L HA 0.060 4.400 4.340 -0.000 0.000 0.245 66 L C 1.854 178.662 176.870 -0.103 0.000 1.156 66 L CA 0.466 55.270 54.840 -0.061 0.000 0.890 66 L CB -1.681 40.371 42.059 -0.012 0.000 1.036 66 L HN 0.738 nan 8.230 nan 0.000 0.441 67 T N -4.515 109.987 114.554 -0.087 0.000 3.114 67 T HA 0.062 4.412 4.350 -0.000 0.000 0.240 67 T C 1.561 176.203 174.700 -0.098 0.000 0.983 67 T CA -0.084 61.967 62.100 -0.081 0.000 1.151 67 T CB -0.013 68.831 68.868 -0.040 0.000 0.974 67 T HN 0.240 nan 8.240 nan 0.000 0.442 68 E N 1.507 121.662 120.200 -0.076 0.000 2.106 68 E HA 0.056 4.406 4.350 -0.000 0.000 0.192 68 E C 2.061 178.611 176.600 -0.083 0.000 0.984 68 E CA 1.011 57.375 56.400 -0.060 0.000 0.806 68 E CB -0.226 29.451 29.700 -0.039 0.000 0.750 68 E HN 0.663 nan 8.360 nan 0.000 0.458 69 G N -0.421 108.299 108.800 -0.132 0.000 3.159 69 G HA2 0.229 4.189 3.960 -0.000 0.000 0.232 69 G HA3 0.229 4.189 3.960 -0.000 0.000 0.232 69 G C 1.115 175.730 174.900 -0.474 0.000 1.116 69 G CA 0.155 45.160 45.100 -0.159 0.000 0.767 69 G HN 0.343 nan 8.290 nan 0.000 0.547 70 G N -0.024 108.469 108.800 -0.512 0.000 2.230 70 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.270 70 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.270 70 G C 0.659 175.091 174.900 -0.780 0.000 0.987 70 G CA 0.852 45.463 45.100 -0.815 0.000 0.664 70 G HN 0.790 nan 8.290 nan 0.000 0.539 71 Q N -2.426 117.092 119.800 -0.470 0.000 2.443 71 Q HA -0.188 4.152 4.340 -0.000 0.000 0.362 71 Q C 0.248 176.346 176.000 0.164 0.000 1.423 71 Q CA 0.972 56.729 55.803 -0.076 0.000 1.037 71 Q CB -1.884 26.892 28.738 0.064 0.000 1.208 71 Q HN 0.755 nan 8.270 nan 0.000 0.334 72 Y N -1.115 119.333 120.300 0.247 0.000 2.493 72 Y HA 0.124 4.674 4.550 -0.000 0.000 0.275 72 Y C 0.496 176.710 175.900 0.523 0.000 1.183 72 Y CA -1.119 57.172 58.100 0.317 0.000 1.258 72 Y CB 0.144 38.680 38.460 0.126 0.000 1.108 72 Y HN 0.425 nan 8.280 nan 0.000 0.521 73 Y N 2.167 122.699 120.300 0.387 0.000 2.802 73 Y HA 0.282 4.832 4.550 -0.000 0.000 0.333 73 Y C 1.225 177.290 175.900 0.275 0.000 1.244 73 Y CA 0.845 59.105 58.100 0.267 0.000 1.558 73 Y CB -0.106 38.456 38.460 0.169 0.000 1.233 73 Y HN 0.473 nan 8.280 nan 0.000 0.547 74 G N 4.886 113.809 108.800 0.205 0.000 2.291 74 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.271 74 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.271 74 G C -0.745 174.099 174.900 -0.095 0.000 1.099 74 G CA -0.024 44.986 45.100 -0.150 0.000 0.919 74 G HN 0.599 nan 8.290 nan 0.000 0.496 75 W N -0.705 120.668 121.300 0.121 0.000 3.479 75 W HA 0.534 5.194 4.660 0.000 0.000 0.304 75 W C -0.012 176.571 176.519 0.106 0.000 1.243 75 W CA -0.982 56.452 57.345 0.148 0.000 1.202 75 W CB 1.622 31.217 29.460 0.225 0.000 1.346 75 W HN 0.173 nan 8.180 nan 0.000 0.539 76 S N 2.770 118.728 115.700 0.430 0.000 2.531 76 S HA 0.120 4.590 4.470 -0.000 0.000 0.279 76 S C 1.034 175.746 174.600 0.188 0.000 1.305 76 S CA -0.349 58.019 58.200 0.279 0.000 1.058 76 S CB 1.716 65.227 63.200 0.519 0.000 0.899 76 S HN 0.447 nan 8.310 nan 0.000 0.493 77 R N 3.204 123.739 120.500 0.060 0.000 2.401 77 R HA 0.008 4.348 4.340 -0.000 0.000 0.198 77 R C 1.079 177.141 176.300 -0.396 0.000 0.980 77 R CA 2.005 58.002 56.100 -0.172 0.000 0.839 77 R CB -0.941 29.353 30.300 -0.010 0.000 0.717 77 R HN 0.765 nan 8.270 nan 0.000 0.464 78 G N -1.652 107.091 108.800 -0.095 0.000 3.042 78 G HA2 0.554 4.514 3.960 -0.000 0.000 0.278 78 G HA3 0.554 4.514 3.960 -0.000 0.000 0.278 78 G C -1.188 173.815 174.900 0.171 0.000 1.371 78 G CA -0.690 44.432 45.100 0.037 0.000 1.009 78 G HN 0.242 nan 8.290 nan 0.000 0.523 79 I N 1.784 122.451 120.570 0.161 0.000 2.330 79 I HA 0.232 4.402 4.170 -0.000 0.000 0.286 79 I C -0.056 176.089 176.117 0.047 0.000 1.025 79 I CA -1.066 60.301 61.300 0.112 0.000 1.197 79 I CB 0.746 38.755 38.000 0.014 0.000 1.358 79 I HN 0.449 nan 8.210 nan 0.000 0.467 80 N N 5.987 124.727 118.700 0.067 0.000 2.405 80 N HA 0.170 4.910 4.740 -0.000 0.000 0.260 80 N C 0.057 175.573 175.510 0.009 0.000 1.152 80 N CA -0.289 52.784 53.050 0.038 0.000 0.948 80 N CB 1.152 39.677 38.487 0.062 0.000 1.111 80 N HN 0.414 nan 8.380 nan 0.000 0.485 81 L N 2.893 124.101 121.223 -0.025 0.000 2.718 81 L HA 0.494 4.834 4.340 -0.000 0.000 0.152 81 L C 0.399 177.245 176.870 -0.040 0.000 1.375 81 L CA 0.139 54.950 54.840 -0.049 0.000 2.008 81 L CB -0.008 42.006 42.059 -0.074 0.000 2.549 81 L HN 0.619 nan 8.230 nan 0.000 0.557 82 A N -2.047 120.742 122.820 -0.051 0.000 2.539 82 A HA 0.481 4.801 4.320 -0.000 0.000 0.296 82 A C 0.400 177.955 177.584 -0.048 0.000 1.073 82 A CA -0.096 51.912 52.037 -0.048 0.000 0.700 82 A CB 1.027 19.994 19.000 -0.055 0.000 1.296 82 A HN 0.571 nan 8.150 nan 0.000 0.405 83 T N 0.296 114.824 114.554 -0.042 0.000 2.652 83 T HA 0.124 4.474 4.350 -0.000 0.000 0.267 83 T C 0.776 175.451 174.700 -0.041 0.000 1.039 83 T CA 2.238 64.314 62.100 -0.039 0.000 1.153 83 T CB -0.199 68.649 68.868 -0.033 0.000 0.863 83 T HN 1.420 nan 8.240 nan 0.000 0.428 84 S N -1.937 113.738 115.700 -0.042 0.000 2.744 84 S HA 0.113 4.583 4.470 -0.000 0.000 0.284 84 S C -0.129 174.445 174.600 -0.042 0.000 0.979 84 S CA 0.082 58.258 58.200 -0.042 0.000 0.870 84 S CB 0.334 63.512 63.200 -0.036 0.000 1.094 84 S HN 0.337 nan 8.310 nan 0.000 0.458 85 D N 1.263 121.638 120.400 -0.041 0.000 5.834 85 D HA -0.273 4.367 4.640 -0.000 0.000 0.205 85 D C 1.669 177.943 176.300 -0.043 0.000 1.697 85 D CA 3.192 57.168 54.000 -0.041 0.000 0.814 85 D CB -0.131 40.649 40.800 -0.035 0.000 0.832 85 D HN 0.579 nan 8.370 nan 0.000 0.753 86 T N -1.471 113.061 114.554 -0.038 0.000 2.708 86 T HA -0.209 4.141 4.350 -0.000 0.000 0.266 86 T C 0.575 175.249 174.700 -0.044 0.000 1.037 86 T CA 1.587 63.665 62.100 -0.037 0.000 1.146 86 T CB -0.093 68.756 68.868 -0.031 0.000 0.865 86 T HN 0.300 nan 8.240 nan 0.000 0.435 87 E N 0.765 120.938 120.200 -0.045 0.000 2.185 87 E HA 0.384 4.734 4.350 -0.000 0.000 0.261 87 E C -1.834 174.732 176.600 -0.057 0.000 0.879 87 E CA -0.702 55.669 56.400 -0.049 0.000 0.756 87 E CB 1.170 30.848 29.700 -0.038 0.000 1.152 87 E HN 0.216 nan 8.360 nan 0.000 0.416 88 D N 3.246 123.601 120.400 -0.075 0.000 2.402 88 D HA 0.214 4.854 4.640 -0.000 0.000 0.252 88 D C -1.791 174.447 176.300 -0.103 0.000 1.294 88 D CA -0.348 53.602 54.000 -0.085 0.000 0.948 88 D CB 1.310 42.049 40.800 -0.103 0.000 1.202 88 D HN 0.214 nan 8.370 nan 0.000 0.561 89 S N 4.047 119.710 115.700 -0.060 0.000 2.519 89 S HA 0.768 5.238 4.470 -0.000 0.000 0.309 89 S C -2.589 172.015 174.600 0.007 0.000 1.100 89 S CA -1.327 56.848 58.200 -0.041 0.000 1.059 89 S CB 1.372 64.563 63.200 -0.015 0.000 1.008 89 S HN 0.227 nan 8.310 nan 0.000 0.478 90 P HA 0.581 nan 4.420 nan 0.000 0.344 90 P C -0.409 176.963 177.300 0.120 0.000 1.321 90 P CA -0.403 62.770 63.100 0.121 0.000 0.773 90 P CB 0.472 32.315 31.700 0.240 0.000 1.723 91 G N -1.294 107.590 108.800 0.140 0.000 2.574 91 G HA2 0.264 4.224 3.960 -0.000 0.000 0.299 91 G HA3 0.264 4.224 3.960 -0.000 0.000 0.299 91 G C -0.193 174.777 174.900 0.117 0.000 1.298 91 G CA -0.340 44.828 45.100 0.113 0.000 0.952 91 G HN 0.172 nan 8.290 nan 0.000 0.477 92 N N 0.391 119.146 118.700 0.092 0.000 2.501 92 N HA 0.001 4.741 4.740 -0.000 0.000 0.195 92 N C 0.814 176.366 175.510 0.071 0.000 1.213 92 N CA 0.183 53.279 53.050 0.076 0.000 0.864 92 N CB 0.161 38.684 38.487 0.058 0.000 0.999 92 N HN 0.653 nan 8.380 nan 0.000 0.454 93 N N -2.462 116.290 118.700 0.088 0.000 2.142 93 N HA 0.072 4.812 4.740 -0.000 0.000 0.233 93 N C -0.190 175.394 175.510 0.123 0.000 1.335 93 N CA -0.021 53.082 53.050 0.089 0.000 0.837 93 N CB 0.404 38.945 38.487 0.090 0.000 1.238 93 N HN -0.160 nan 8.380 nan 0.000 0.501 94 T N 1.041 115.690 114.554 0.158 0.000 3.176 94 T HA 0.372 4.722 4.350 -0.000 0.000 0.263 94 T C -0.009 174.855 174.700 0.273 0.000 1.021 94 T CA 0.017 62.282 62.100 0.276 0.000 0.905 94 T CB 0.290 69.297 68.868 0.232 0.000 1.057 94 T HN 0.129 nan 8.240 nan 0.000 0.558 95 L N 3.509 124.794 121.223 0.104 0.000 2.471 95 L HA 0.364 4.704 4.340 -0.000 0.000 0.263 95 L C -2.528 174.272 176.870 -0.117 0.000 0.985 95 L CA -2.163 52.690 54.840 0.021 0.000 0.868 95 L CB 2.518 44.613 42.059 0.060 0.000 1.203 95 L HN -0.116 nan 8.230 nan 0.000 0.429 96 P HA 0.165 nan 4.420 nan 0.000 0.276 96 P C -0.807 176.375 177.300 -0.198 0.000 1.235 96 P CA -0.094 62.787 63.100 -0.364 0.000 0.772 96 P CB 1.122 32.400 31.700 -0.703 0.000 0.871 97 T N 0.005 114.489 114.554 -0.116 0.000 2.887 97 T HA 0.289 4.639 4.350 -0.000 0.000 0.288 97 T C -0.547 174.179 174.700 0.043 0.000 1.021 97 T CA -0.750 61.353 62.100 0.006 0.000 1.000 97 T CB 0.706 69.615 68.868 0.068 0.000 1.034 97 T HN 0.258 nan 8.240 nan 0.000 0.467 98 W N 2.631 123.968 121.300 0.061 0.000 2.607 98 W HA 0.266 4.926 4.660 -0.000 0.000 0.336 98 W C 0.350 176.906 176.519 0.063 0.000 1.439 98 W CA 0.213 57.596 57.345 0.064 0.000 1.346 98 W CB 0.083 29.563 29.460 0.034 0.000 1.425 98 W HN 0.589 nan 8.180 nan 0.000 0.565 99 S N 5.538 121.420 115.700 0.303 0.000 2.537 99 S HA 0.665 5.135 4.470 -0.000 0.000 0.275 99 S C -0.073 174.686 174.600 0.265 0.000 1.272 99 S CA -0.717 57.619 58.200 0.227 0.000 1.050 99 S CB 0.991 64.284 63.200 0.154 0.000 0.961 99 S HN 0.464 nan 8.310 nan 0.000 0.496 100 M N 1.175 120.865 119.600 0.150 0.000 3.147 100 M HA 0.910 5.390 4.480 -0.000 0.000 0.276 100 M C -1.561 174.732 176.300 -0.012 0.000 1.211 100 M CA -0.734 54.613 55.300 0.079 0.000 0.820 100 M CB 0.846 33.498 32.600 0.086 0.000 1.621 100 M HN 0.753 nan 8.290 nan 0.000 0.507 101 A N 0.216 122.996 122.820 -0.065 0.000 2.515 101 A HA 0.815 5.135 4.320 -0.000 0.000 0.292 101 A C -2.068 175.410 177.584 -0.177 0.000 1.065 101 A CA -0.576 51.387 52.037 -0.124 0.000 0.641 101 A CB 1.211 20.101 19.000 -0.183 0.000 1.306 101 A HN 1.143 nan 8.150 nan 0.000 0.441 102 K N 1.082 121.331 120.400 -0.252 0.000 2.443 102 K HA 0.625 4.945 4.320 -0.000 0.000 0.252 102 K C -1.542 174.849 176.600 -0.348 0.000 0.933 102 K CA -0.686 55.346 56.287 -0.424 0.000 0.792 102 K CB 1.200 33.305 32.500 -0.659 0.000 1.185 102 K HN 0.550 nan 8.250 nan 0.000 0.425 103 L N 3.554 124.570 121.223 -0.346 0.000 2.292 103 L HA 0.295 4.635 4.340 -0.000 0.000 0.284 103 L C -0.112 176.604 176.870 -0.256 0.000 1.065 103 L CA -0.353 54.323 54.840 -0.273 0.000 0.806 103 L CB 1.121 43.025 42.059 -0.259 0.000 1.175 103 L HN 0.755 nan 8.230 nan 0.000 0.431 104 Q N 2.965 122.646 119.800 -0.198 0.000 2.331 104 Q HA 0.492 4.832 4.340 -0.000 0.000 0.257 104 Q C -1.084 174.846 176.000 -0.116 0.000 0.957 104 Q CA -0.278 55.436 55.803 -0.148 0.000 0.923 104 Q CB 1.227 29.896 28.738 -0.114 0.000 1.212 104 Q HN 0.398 nan 8.270 nan 0.000 0.443 105 L N 5.923 127.098 121.223 -0.079 0.000 2.365 105 L HA 0.675 5.015 4.340 -0.000 0.000 0.267 105 L C -1.989 174.983 176.870 0.169 0.000 1.033 105 L CA -2.058 52.763 54.840 -0.032 0.000 0.802 105 L CB 0.947 42.874 42.059 -0.219 0.000 1.267 105 L HN 0.615 nan 8.230 nan 0.000 0.457 106 P HA 0.233 nan 4.420 nan 0.000 0.273 106 P C -0.944 176.503 177.300 0.245 0.000 1.250 106 P CA -0.214 63.045 63.100 0.265 0.000 0.793 106 P CB 0.432 32.316 31.700 0.306 0.000 1.011 107 M N 0.694 120.333 119.600 0.066 0.000 2.367 107 M HA 0.338 4.818 4.480 -0.000 0.000 0.339 107 M C -0.196 176.014 176.300 -0.149 0.000 1.177 107 M CA -0.498 54.775 55.300 -0.045 0.000 1.068 107 M CB 0.592 33.174 32.600 -0.030 0.000 1.602 107 M HN 0.110 nan 8.290 nan 0.000 0.457 108 L N 0.780 121.833 121.223 -0.283 0.000 2.558 108 L HA 0.543 4.883 4.340 -0.000 0.000 0.260 108 L C 0.060 176.783 176.870 -0.244 0.000 1.130 108 L CA -0.617 54.006 54.840 -0.362 0.000 1.049 108 L CB 0.372 42.039 42.059 -0.653 0.000 1.758 108 L HN 0.578 nan 8.230 nan 0.000 0.555 109 N N -0.697 117.846 118.700 -0.260 0.000 2.434 109 N HA 0.467 5.207 4.740 -0.000 0.000 0.266 109 N C -0.732 174.747 175.510 -0.052 0.000 1.223 109 N CA -0.513 52.468 53.050 -0.115 0.000 0.972 109 N CB 0.701 39.175 38.487 -0.022 0.000 1.207 109 N HN 0.429 nan 8.380 nan 0.000 0.525 110 E N -0.935 119.315 120.200 0.083 0.000 2.404 110 E HA 0.474 4.824 4.350 -0.000 0.000 0.264 110 E C -1.262 175.459 176.600 0.201 0.000 0.946 110 E CA -0.509 55.982 56.400 0.151 0.000 0.806 110 E CB 1.503 31.246 29.700 0.072 0.000 1.334 110 E HN 0.520 nan 8.360 nan 0.000 0.429 111 D N 0.225 120.708 120.400 0.139 0.000 3.171 111 D HA 0.130 4.770 4.640 -0.000 0.000 0.240 111 D C -0.270 176.048 176.300 0.031 0.000 1.432 111 D CA 0.071 54.107 54.000 0.061 0.000 0.892 111 D CB -0.050 40.746 40.800 -0.007 0.000 1.499 111 D HN 0.308 nan 8.370 nan 0.000 0.597 112 L N 0.291 121.534 121.223 0.033 0.000 2.447 112 L HA -0.064 4.276 4.340 -0.000 0.000 0.225 112 L C 2.215 179.090 176.870 0.007 0.000 1.148 112 L CA 1.346 56.201 54.840 0.024 0.000 0.808 112 L CB -0.725 41.350 42.059 0.027 0.000 0.928 112 L HN 0.358 nan 8.230 nan 0.000 0.448 113 T N -1.286 113.266 114.554 -0.003 0.000 2.595 113 T HA -0.196 4.154 4.350 -0.000 0.000 0.264 113 T C 1.470 176.150 174.700 -0.033 0.000 1.058 113 T CA 1.780 63.869 62.100 -0.019 0.000 1.166 113 T CB -0.463 68.388 68.868 -0.029 0.000 0.863 113 T HN 0.445 nan 8.240 nan 0.000 0.415 114 C N 1.487 120.754 119.300 -0.054 0.000 2.688 114 C HA 0.350 4.810 4.460 -0.000 0.000 0.297 114 C C 0.665 175.623 174.990 -0.053 0.000 1.308 114 C CA -1.168 57.807 59.018 -0.072 0.000 1.726 114 C CB -1.664 25.998 27.740 -0.130 0.000 1.982 114 C HN 0.673 nan 8.230 nan 0.000 0.604 115 D N 1.711 122.097 120.400 -0.024 0.000 2.755 115 D HA -0.199 4.441 4.640 -0.000 0.000 0.227 115 D C -0.025 176.279 176.300 0.007 0.000 1.211 115 D CA 1.312 55.310 54.000 -0.002 0.000 0.663 115 D CB -0.591 40.206 40.800 -0.005 0.000 0.983 115 D HN 0.526 nan 8.370 nan 0.000 0.407 116 T N 0.150 114.725 114.554 0.035 0.000 2.933 116 T HA 0.661 5.011 4.350 -0.000 0.000 0.305 116 T C -1.250 173.658 174.700 0.346 0.000 1.092 116 T CA -0.791 61.371 62.100 0.104 0.000 1.008 116 T CB 0.660 69.504 68.868 -0.040 0.000 1.102 116 T HN 0.272 nan 8.240 nan 0.000 0.469 117 L N 2.175 123.641 121.223 0.405 0.000 2.359 117 L HA 0.757 5.097 4.340 -0.000 0.000 0.256 117 L C -0.503 176.365 176.870 -0.003 0.000 1.026 117 L CA -1.212 53.824 54.840 0.327 0.000 0.828 117 L CB 1.153 43.253 42.059 0.069 0.000 1.406 117 L HN 0.751 nan 8.230 nan 0.000 0.413 118 Q N 0.654 120.062 119.800 -0.653 0.000 2.266 118 Q HA 0.864 5.204 4.340 -0.000 0.000 0.261 118 Q C -1.260 174.426 176.000 -0.524 0.000 0.985 118 Q CA -0.727 54.554 55.803 -0.870 0.000 0.873 118 Q CB 2.421 30.197 28.738 -1.603 0.000 1.306 118 Q HN 0.752 nan 8.270 nan 0.000 0.447 119 M N 0.578 119.944 119.600 -0.391 0.000 2.727 119 M HA 0.442 4.922 4.480 -0.000 0.000 0.300 119 M C -1.390 174.785 176.300 -0.208 0.000 1.246 119 M CA -0.682 54.455 55.300 -0.272 0.000 0.835 119 M CB 2.115 34.659 32.600 -0.094 0.000 1.755 119 M HN 0.620 nan 8.290 nan 0.000 0.473 120 W N 1.647 122.901 121.300 -0.077 0.000 2.481 120 W HA 0.256 4.916 4.660 -0.000 0.000 0.320 120 W C 0.117 176.618 176.519 -0.029 0.000 1.209 120 W CA -0.094 57.217 57.345 -0.057 0.000 1.400 120 W CB 0.357 29.789 29.460 -0.047 0.000 1.361 120 W HN 0.432 nan 8.180 nan 0.000 0.456 121 E N 3.280 123.646 120.200 0.276 0.000 2.129 121 E HA 0.472 4.822 4.350 -0.000 0.000 0.268 121 E C -0.489 176.196 176.600 0.141 0.000 0.900 121 E CA -0.491 56.004 56.400 0.158 0.000 0.755 121 E CB 1.104 30.864 29.700 0.101 0.000 1.117 121 E HN 0.471 nan 8.360 nan 0.000 0.410 122 A N 3.409 126.296 122.820 0.111 0.000 2.371 122 A HA 0.349 4.669 4.320 -0.000 0.000 0.257 122 A C 0.547 178.184 177.584 0.089 0.000 1.089 122 A CA -0.367 51.723 52.037 0.088 0.000 0.794 122 A CB 1.089 20.141 19.000 0.086 0.000 1.029 122 A HN 0.536 nan 8.150 nan 0.000 0.488 123 V N 0.911 120.875 119.914 0.084 0.000 3.134 123 V HA 0.154 4.274 4.120 -0.000 0.000 0.222 123 V C 0.994 177.142 176.094 0.090 0.000 1.247 123 V CA 1.349 63.697 62.300 0.081 0.000 1.281 123 V CB -0.084 31.781 31.823 0.070 0.000 1.169 123 V HN 1.033 nan 8.190 nan 0.000 0.512 124 S N -0.705 115.047 115.700 0.087 0.000 2.740 124 S HA 0.856 5.326 4.470 -0.000 0.000 0.300 124 S C -1.061 173.601 174.600 0.103 0.000 1.147 124 S CA -0.465 57.792 58.200 0.094 0.000 0.871 124 S CB 2.344 65.586 63.200 0.070 0.000 1.173 124 S HN 0.742 nan 8.310 nan 0.000 0.510 125 V N 0.268 120.244 119.914 0.104 0.000 2.915 125 V HA 0.472 4.592 4.120 -0.000 0.000 0.282 125 V C -2.083 174.047 176.094 0.059 0.000 1.445 125 V CA -0.599 61.761 62.300 0.099 0.000 0.953 125 V CB 1.819 33.740 31.823 0.164 0.000 1.140 125 V HN 1.006 nan 8.190 nan 0.000 0.440 126 K N 3.170 123.602 120.400 0.054 0.000 2.118 126 K HA 0.814 5.134 4.320 -0.000 0.000 0.254 126 K C -0.571 176.022 176.600 -0.012 0.000 0.961 126 K CA -0.502 55.806 56.287 0.035 0.000 0.876 126 K CB 2.068 34.632 32.500 0.106 0.000 1.077 126 K HN 0.826 nan 8.250 nan 0.000 0.440 127 T N 0.201 114.671 114.554 -0.140 0.000 2.816 127 T HA 0.368 4.718 4.350 -0.000 0.000 0.299 127 T C -1.958 172.609 174.700 -0.221 0.000 1.230 127 T CA -0.639 61.272 62.100 -0.314 0.000 1.007 127 T CB 1.758 70.069 68.868 -0.929 0.000 1.289 127 T HN 0.703 nan 8.240 nan 0.000 0.508 128 E N 1.384 121.456 120.200 -0.212 0.000 2.422 128 E HA 0.471 4.821 4.350 -0.000 0.000 0.289 128 E C -1.889 174.651 176.600 -0.100 0.000 0.985 128 E CA -0.659 55.651 56.400 -0.151 0.000 0.812 128 E CB 1.924 31.541 29.700 -0.138 0.000 1.226 128 E HN 0.503 nan 8.360 nan 0.000 0.419 129 V N 3.717 123.566 119.914 -0.109 0.000 2.407 129 V HA 0.381 4.501 4.120 -0.000 0.000 0.278 129 V C -0.027 176.072 176.094 0.009 0.000 1.037 129 V CA -0.478 61.776 62.300 -0.078 0.000 0.900 129 V CB 1.225 32.947 31.823 -0.169 0.000 0.983 129 V HN 0.443 nan 8.190 nan 0.000 0.459 130 V N 2.141 122.087 119.914 0.054 0.000 2.628 130 V HA 0.990 5.110 4.120 -0.000 0.000 0.306 130 V C 0.849 177.012 176.094 0.114 0.000 1.045 130 V CA 0.067 62.471 62.300 0.174 0.000 0.905 130 V CB 0.964 32.841 31.823 0.089 0.000 0.997 130 V HN 1.129 nan 8.190 nan 0.000 0.436 131 G N 2.259 111.224 108.800 0.275 0.000 2.164 131 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.154 131 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.154 131 G C 0.690 175.646 174.900 0.095 0.000 1.014 131 G CA 0.158 45.345 45.100 0.146 0.000 0.683 131 G HN 0.833 nan 8.290 nan 0.000 0.500 132 S N 0.241 115.961 115.700 0.032 0.000 2.440 132 S HA -0.018 4.452 4.470 -0.000 0.000 0.238 132 S C 2.492 177.088 174.600 -0.007 0.000 1.010 132 S CA 1.841 59.933 58.200 -0.179 0.000 0.972 132 S CB -0.326 62.475 63.200 -0.665 0.000 0.774 132 S HN 1.253 nan 8.310 nan 0.000 0.501 133 G N 1.560 110.470 108.800 0.183 0.000 2.422 133 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.218 133 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.218 133 G C 1.485 176.427 174.900 0.070 0.000 1.146 133 G CA 1.088 46.276 45.100 0.146 0.000 0.769 133 G HN 0.600 nan 8.290 nan 0.000 0.547 134 S N 0.143 115.877 115.700 0.057 0.000 2.423 134 S HA -0.111 4.359 4.470 -0.000 0.000 0.238 134 S C 1.712 176.333 174.600 0.035 0.000 1.028 134 S CA 0.951 59.174 58.200 0.038 0.000 1.000 134 S CB -0.231 62.976 63.200 0.011 0.000 0.797 134 S HN 0.081 nan 8.310 nan 0.000 0.487 135 L N 1.488 122.723 121.223 0.020 0.000 2.779 135 L HA 0.412 4.752 4.340 -0.000 0.000 0.239 135 L C 0.776 177.655 176.870 0.016 0.000 1.245 135 L CA 0.523 55.375 54.840 0.021 0.000 1.064 135 L CB -0.335 41.725 42.059 0.001 0.000 1.350 135 L HN 0.355 nan 8.230 nan 0.000 0.455 136 L N -1.351 119.883 121.223 0.018 0.000 2.858 136 L HA 0.265 4.605 4.340 -0.000 0.000 0.251 136 L C 0.258 177.127 176.870 -0.002 0.000 1.149 136 L CA -0.174 54.676 54.840 0.016 0.000 0.955 136 L CB 0.556 42.634 42.059 0.031 0.000 1.289 136 L HN 0.156 nan 8.230 nan 0.000 0.542 137 D N 0.960 121.339 120.400 -0.036 0.000 2.312 137 D HA 0.190 4.830 4.640 -0.000 0.000 0.252 137 D C 0.610 176.786 176.300 -0.208 0.000 1.150 137 D CA 0.053 53.948 54.000 -0.175 0.000 0.870 137 D CB 1.655 42.348 40.800 -0.178 0.000 1.153 137 D HN -0.003 nan 8.370 nan 0.000 0.457 138 V N 1.971 121.717 119.914 -0.280 0.000 3.276 138 V HA 0.230 4.350 4.120 -0.000 0.000 0.319 138 V C 0.752 176.770 176.094 -0.127 0.000 1.476 138 V CA -0.408 61.807 62.300 -0.142 0.000 1.097 138 V CB -0.949 30.857 31.823 -0.029 0.000 0.988 138 V HN 0.612 nan 8.190 nan 0.000 0.473 139 H N 1.069 120.123 119.070 -0.026 0.000 3.310 139 H HA 0.776 5.332 4.556 -0.000 0.000 0.176 139 H C 0.858 176.142 175.328 -0.073 0.000 1.558 139 H CA -0.124 55.881 56.048 -0.072 0.000 1.693 139 H CB -0.127 29.602 29.762 -0.055 0.000 1.226 139 H HN 0.648 nan 8.280 nan 0.000 0.938 140 G N -0.326 108.497 108.800 0.039 0.000 2.846 140 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.660 140 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.660 140 G C -1.183 173.670 174.900 -0.077 0.000 1.464 140 G CA -0.172 44.928 45.100 -0.000 0.000 0.891 140 G HN 0.502 nan 8.290 nan 0.000 0.552 141 F N 2.559 122.520 119.950 0.018 0.000 2.329 141 F HA 0.463 4.990 4.527 -0.000 0.000 0.362 141 F C 0.779 176.565 175.800 -0.024 0.000 1.113 141 F CA -1.334 56.667 58.000 0.001 0.000 1.212 141 F CB 0.020 39.022 39.000 0.003 0.000 1.509 141 F HN 0.508 nan 8.300 nan 0.000 0.546 142 N N 1.851 120.726 118.700 0.292 0.000 2.592 142 N HA 0.324 5.064 4.740 -0.000 0.000 0.292 142 N C -0.845 174.837 175.510 0.288 0.000 1.260 142 N CA -1.075 52.088 53.050 0.189 0.000 0.910 142 N CB 0.971 39.502 38.487 0.074 0.000 1.257 142 N HN 0.231 nan 8.380 nan 0.000 0.569 143 K N 0.787 121.273 120.400 0.145 0.000 2.451 143 K HA 0.128 4.448 4.320 -0.000 0.000 0.280 143 K C -2.321 174.361 176.600 0.137 0.000 1.020 143 K CA -0.961 55.407 56.287 0.135 0.000 1.008 143 K CB 0.373 32.896 32.500 0.039 0.000 0.917 143 K HN 0.284 nan 8.250 nan 0.000 0.478 144 P HA 0.066 nan 4.420 nan 0.000 0.274 144 P C 0.281 177.614 177.300 0.055 0.000 1.256 144 P CA -0.372 62.780 63.100 0.086 0.000 0.795 144 P CB 0.761 32.527 31.700 0.110 0.000 1.038 145 T N -0.947 113.626 114.554 0.031 0.000 2.595 145 T HA -0.176 4.174 4.350 -0.000 0.000 0.264 145 T C 0.466 175.184 174.700 0.030 0.000 1.058 145 T CA 1.675 63.791 62.100 0.027 0.000 1.166 145 T CB -0.866 68.013 68.868 0.018 0.000 0.863 145 T HN 0.567 nan 8.240 nan 0.000 0.415 146 D N 1.660 122.078 120.400 0.029 0.000 2.441 146 D HA 0.206 4.846 4.640 -0.000 0.000 0.221 146 D C 1.339 177.663 176.300 0.040 0.000 1.156 146 D CA -0.025 53.992 54.000 0.029 0.000 0.896 146 D CB 0.791 41.605 40.800 0.023 0.000 1.028 146 D HN 0.240 nan 8.370 nan 0.000 0.509 147 T N 0.435 115.012 114.554 0.039 0.000 2.684 147 T HA -0.220 4.130 4.350 -0.000 0.000 0.267 147 T C 1.987 176.709 174.700 0.036 0.000 1.036 147 T CA 1.199 63.325 62.100 0.044 0.000 1.148 147 T CB -0.584 68.301 68.868 0.028 0.000 0.863 147 T HN 0.248 nan 8.240 nan 0.000 0.436 148 V N 3.672 123.601 119.914 0.026 0.000 2.232 148 V HA -0.295 3.825 4.120 -0.000 0.000 0.251 148 V C 2.239 178.347 176.094 0.022 0.000 1.048 148 V CA 2.306 64.617 62.300 0.019 0.000 1.029 148 V CB -0.858 30.975 31.823 0.016 0.000 0.658 148 V HN 0.601 nan 8.190 nan 0.000 0.464 149 N N -0.891 117.824 118.700 0.025 0.000 2.449 149 N HA 0.004 4.744 4.740 -0.000 0.000 0.191 149 N C 0.405 175.939 175.510 0.040 0.000 1.161 149 N CA 0.738 53.804 53.050 0.026 0.000 0.863 149 N CB 0.126 38.626 38.487 0.020 0.000 0.980 149 N HN 0.625 nan 8.380 nan 0.000 0.458 150 T N 0.849 115.434 114.554 0.053 0.000 3.429 150 T HA -0.174 4.176 4.350 -0.000 0.000 0.417 150 T C -0.028 174.719 174.700 0.078 0.000 0.767 150 T CA 1.183 63.338 62.100 0.093 0.000 2.141 150 T CB -0.732 68.210 68.868 0.123 0.000 1.699 150 T HN 0.305 nan 8.240 nan 0.000 0.685 151 K N -0.594 119.836 120.400 0.049 0.000 2.466 151 K HA 0.880 5.200 4.320 -0.000 0.000 0.277 151 K C 0.705 177.310 176.600 0.009 0.000 1.039 151 K CA 0.404 56.703 56.287 0.019 0.000 0.904 151 K CB 1.549 34.058 32.500 0.015 0.000 1.506 151 K HN 0.619 nan 8.250 nan 0.000 0.441 152 G N 0.019 108.815 108.800 -0.006 0.000 2.785 152 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.218 152 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.218 152 G C -1.379 173.511 174.900 -0.017 0.000 1.251 152 G CA -0.231 44.866 45.100 -0.005 0.000 1.129 152 G HN 0.365 nan 8.290 nan 0.000 0.573 153 I N 0.834 121.395 120.570 -0.015 0.000 2.730 153 I HA 0.622 4.792 4.170 -0.000 0.000 0.298 153 I C 0.137 176.233 176.117 -0.034 0.000 1.089 153 I CA -0.940 60.348 61.300 -0.020 0.000 1.041 153 I CB 1.699 39.698 38.000 -0.002 0.000 1.235 153 I HN 0.390 nan 8.210 nan 0.000 0.423 154 S N 3.322 118.984 115.700 -0.062 0.000 2.485 154 S HA 0.168 4.638 4.470 -0.000 0.000 0.312 154 S C 0.085 174.677 174.600 -0.013 0.000 1.102 154 S CA -0.183 57.982 58.200 -0.059 0.000 1.066 154 S CB -0.376 62.750 63.200 -0.123 0.000 1.102 154 S HN 0.643 nan 8.310 nan 0.000 0.519 155 T N 7.633 122.197 114.554 0.017 0.000 2.437 155 T HA -0.052 4.298 4.350 -0.000 0.000 0.212 155 T C -1.730 172.999 174.700 0.049 0.000 1.046 155 T CA -0.206 61.916 62.100 0.036 0.000 1.191 155 T CB -0.259 68.640 68.868 0.052 0.000 1.010 155 T HN 0.482 nan 8.240 nan 0.000 0.462 156 P HA 0.136 nan 4.420 nan 0.000 0.271 156 P C -0.121 177.230 177.300 0.085 0.000 1.244 156 P CA -0.524 62.609 63.100 0.056 0.000 0.793 156 P CB 0.475 32.196 31.700 0.035 0.000 0.984 157 V N 0.698 120.668 119.914 0.094 0.000 2.763 157 V HA 0.079 4.199 4.120 -0.000 0.000 0.306 157 V C 0.932 177.055 176.094 0.047 0.000 1.059 157 V CA 0.809 63.171 62.300 0.103 0.000 1.138 157 V CB -0.541 31.333 31.823 0.084 0.000 0.940 157 V HN 0.600 nan 8.190 nan 0.000 0.489 158 E N 1.103 121.323 120.200 0.032 0.000 2.442 158 E HA 0.679 5.029 4.350 -0.000 0.000 0.271 158 E C -0.048 176.458 176.600 -0.157 0.000 1.002 158 E CA -0.304 56.091 56.400 -0.009 0.000 0.864 158 E CB 2.359 32.104 29.700 0.074 0.000 1.573 158 E HN 1.081 nan 8.360 nan 0.000 0.456 159 G N 0.373 109.088 108.800 -0.142 0.000 2.610 159 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.304 159 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.304 159 G C -0.546 174.126 174.900 -0.381 0.000 1.309 159 G CA -0.408 44.516 45.100 -0.292 0.000 0.906 159 G HN 0.410 nan 8.290 nan 0.000 0.521 160 S N 0.794 116.270 115.700 -0.373 0.000 2.566 160 S HA 0.481 4.951 4.470 -0.000 0.000 0.280 160 S C 0.516 174.908 174.600 -0.347 0.000 1.343 160 S CA 0.820 58.861 58.200 -0.265 0.000 1.036 160 S CB 0.910 64.129 63.200 0.033 0.000 0.866 160 S HN 0.857 nan 8.310 nan 0.000 0.526 161 Q N 0.690 120.345 119.800 -0.242 0.000 2.501 161 Q HA 0.708 5.048 4.340 -0.000 0.000 0.288 161 Q C -1.765 174.165 176.000 -0.117 0.000 1.051 161 Q CA -1.015 54.658 55.803 -0.217 0.000 0.788 161 Q CB 2.037 30.650 28.738 -0.209 0.000 1.469 161 Q HN 0.677 nan 8.270 nan 0.000 0.416 162 Y N 0.269 120.284 120.300 -0.475 0.000 2.424 162 Y HA 0.377 4.927 4.550 -0.000 0.000 0.323 162 Y C -1.999 173.545 175.900 -0.594 0.000 1.174 162 Y CA -0.470 57.431 58.100 -0.331 0.000 1.060 162 Y CB 1.800 40.225 38.460 -0.058 0.000 1.314 162 Y HN 0.788 nan 8.280 nan 0.000 0.439 163 H N 4.948 124.033 119.070 0.025 0.000 2.759 163 H HA 0.829 5.385 4.556 -0.000 0.000 0.354 163 H C -1.454 173.830 175.328 -0.073 0.000 1.074 163 H CA -0.816 55.247 56.048 0.026 0.000 1.226 163 H CB 2.141 31.928 29.762 0.041 0.000 1.648 163 H HN 0.538 nan 8.280 nan 0.000 0.529 164 V N 3.586 123.585 119.914 0.142 0.000 3.147 164 V HA 0.446 4.566 4.120 -0.000 0.000 0.299 164 V C -1.336 175.031 176.094 0.455 0.000 1.302 164 V CA -0.942 61.457 62.300 0.164 0.000 1.015 164 V CB 2.828 34.639 31.823 -0.019 0.000 1.086 164 V HN 0.746 nan 8.190 nan 0.000 0.437 165 F N 1.582 121.798 119.950 0.443 0.000 2.773 165 F HA 1.010 5.537 4.527 -0.000 0.000 0.314 165 F C -0.730 175.344 175.800 0.457 0.000 1.160 165 F CA -0.524 57.779 58.000 0.507 0.000 0.920 165 F CB 1.254 40.538 39.000 0.472 0.000 1.323 165 F HN 0.879 nan 8.300 nan 0.000 0.457 166 A N 0.809 123.970 122.820 0.569 0.000 2.594 166 A HA 0.862 5.182 4.320 -0.000 0.000 0.291 166 A C -2.224 175.644 177.584 0.474 0.000 1.105 166 A CA -0.865 51.346 52.037 0.289 0.000 0.694 166 A CB 1.866 20.930 19.000 0.106 0.000 1.291 166 A HN 1.300 nan 8.150 nan 0.000 0.410 167 V N 0.609 120.706 119.914 0.305 0.000 2.567 167 V HA 0.739 4.859 4.120 -0.000 0.000 0.298 167 V C 0.327 176.510 176.094 0.148 0.000 1.047 167 V CA 0.334 62.799 62.300 0.274 0.000 0.880 167 V CB 1.577 33.610 31.823 0.349 0.000 1.009 167 V HN 1.609 nan 8.190 nan 0.000 0.429 168 G N 2.232 111.109 108.800 0.129 0.000 2.672 168 G HA2 0.561 4.521 3.960 -0.000 0.000 0.292 168 G HA3 0.561 4.521 3.960 -0.000 0.000 0.292 168 G C 0.428 175.416 174.900 0.147 0.000 1.375 168 G CA 0.010 45.155 45.100 0.075 0.000 0.890 168 G HN 0.877 nan 8.290 nan 0.000 0.476 169 G N -0.966 107.882 108.800 0.080 0.000 3.181 169 G HA2 0.474 4.434 3.960 -0.000 0.000 0.219 169 G HA3 0.474 4.434 3.960 -0.000 0.000 0.219 169 G C 0.310 175.252 174.900 0.070 0.000 1.182 169 G CA 0.609 45.791 45.100 0.137 0.000 0.791 169 G HN 0.929 nan 8.290 nan 0.000 0.537 170 E N -1.014 119.016 120.200 -0.284 0.000 2.422 170 E HA 0.294 4.644 4.350 -0.000 0.000 0.280 170 E C -3.249 172.529 176.600 -1.371 0.000 1.091 170 E CA -1.837 54.074 56.400 -0.815 0.000 0.849 170 E CB 0.880 30.368 29.700 -0.353 0.000 1.353 170 E HN -0.058 nan 8.360 nan 0.000 0.449 171 P HA -0.006 nan 4.420 nan 0.000 0.271 171 P C -0.073 176.923 177.300 -0.506 0.000 1.244 171 P CA -0.434 62.145 63.100 -0.869 0.000 0.793 171 P CB 0.772 32.168 31.700 -0.507 0.000 0.984 172 L N 1.550 122.525 121.223 -0.413 0.000 2.360 172 L HA 0.142 4.482 4.340 -0.000 0.000 0.276 172 L C 0.098 176.720 176.870 -0.414 0.000 1.121 172 L CA -0.040 54.559 54.840 -0.401 0.000 0.845 172 L CB 0.078 41.834 42.059 -0.505 0.000 1.143 172 L HN 0.331 nan 8.230 nan 0.000 0.452 173 D N 6.253 126.461 120.400 -0.320 0.000 2.295 173 D HA 0.410 5.050 4.640 -0.000 0.000 0.248 173 D C -0.291 175.845 176.300 -0.274 0.000 1.154 173 D CA -0.137 53.706 54.000 -0.262 0.000 0.857 173 D CB 1.669 42.370 40.800 -0.166 0.000 1.117 173 D HN 0.257 nan 8.370 nan 0.000 0.468 174 L N 0.143 121.213 121.223 -0.256 0.000 2.256 174 L HA 0.611 4.951 4.340 -0.000 0.000 0.261 174 L C -0.315 176.618 176.870 0.106 0.000 1.022 174 L CA -0.981 53.771 54.840 -0.145 0.000 0.828 174 L CB 1.131 43.028 42.059 -0.270 0.000 1.374 174 L HN 0.067 nan 8.230 nan 0.000 0.436 175 Q N -0.214 119.747 119.800 0.268 0.000 2.315 175 Q HA 0.613 4.953 4.340 -0.000 0.000 0.273 175 Q C -1.100 175.062 176.000 0.269 0.000 1.053 175 Q CA -0.356 55.627 55.803 0.299 0.000 0.817 175 Q CB 2.596 31.426 28.738 0.153 0.000 1.326 175 Q HN 1.032 nan 8.270 nan 0.000 0.423 176 G N 2.635 111.423 108.800 -0.020 0.000 2.356 176 G HA2 0.717 4.677 3.960 -0.000 0.000 0.322 176 G HA3 0.717 4.677 3.960 -0.000 0.000 0.322 176 G C -0.882 173.911 174.900 -0.178 0.000 1.125 176 G CA -0.222 44.588 45.100 -0.483 0.000 0.885 176 G HN 0.436 nan 8.290 nan 0.000 0.467 177 L N 1.445 122.624 121.223 -0.073 0.000 2.505 177 L HA 0.677 5.017 4.340 -0.000 0.000 0.259 177 L C -0.703 176.166 176.870 -0.003 0.000 0.952 177 L CA -1.042 53.778 54.840 -0.033 0.000 0.840 177 L CB 2.324 44.362 42.059 -0.036 0.000 1.358 177 L HN 0.499 nan 8.230 nan 0.000 0.409 178 V N 0.288 120.193 119.914 -0.015 0.000 3.167 178 V HA 0.502 4.622 4.120 -0.000 0.000 0.310 178 V C 0.621 176.720 176.094 0.008 0.000 1.207 178 V CA 0.359 62.671 62.300 0.019 0.000 1.059 178 V CB 2.412 34.254 31.823 0.031 0.000 1.079 178 V HN 0.946 nan 8.190 nan 0.000 0.446 179 T N -0.116 114.450 114.554 0.019 0.000 2.623 179 T HA 0.090 4.440 4.350 -0.000 0.000 0.254 179 T C 0.312 175.003 174.700 -0.015 0.000 1.075 179 T CA 0.937 63.037 62.100 -0.001 0.000 1.177 179 T CB -0.240 68.631 68.868 0.005 0.000 0.869 179 T HN 0.624 nan 8.240 nan 0.000 0.403 180 D N 1.262 121.647 120.400 -0.025 0.000 2.414 180 D HA 0.595 5.235 4.640 -0.000 0.000 0.232 180 D C 0.548 176.810 176.300 -0.063 0.000 1.070 180 D CA -0.295 53.676 54.000 -0.047 0.000 0.839 180 D CB 1.545 42.306 40.800 -0.064 0.000 1.079 180 D HN 0.379 nan 8.370 nan 0.000 0.521 181 A N 3.642 126.435 122.820 -0.045 0.000 2.272 181 A HA -0.180 4.140 4.320 -0.000 0.000 0.213 181 A C 1.729 179.274 177.584 -0.065 0.000 1.183 181 A CA 0.867 52.878 52.037 -0.042 0.000 0.719 181 A CB -0.288 18.696 19.000 -0.026 0.000 0.771 181 A HN 0.604 nan 8.150 nan 0.000 0.484 182 R N -1.544 118.903 120.500 -0.088 0.000 2.290 182 R HA 0.092 4.432 4.340 -0.000 0.000 0.197 182 R C -0.165 176.036 176.300 -0.164 0.000 0.913 182 R CA 0.431 56.471 56.100 -0.099 0.000 1.040 182 R CB -0.809 29.444 30.300 -0.077 0.000 0.992 182 R HN 0.168 nan 8.270 nan 0.000 0.500 183 T N 2.696 117.093 114.554 -0.261 0.000 2.866 183 T HA 0.025 4.375 4.350 -0.000 0.000 0.293 183 T C -0.090 174.315 174.700 -0.492 0.000 1.005 183 T CA 0.284 62.115 62.100 -0.449 0.000 1.162 183 T CB 0.692 69.105 68.868 -0.759 0.000 0.968 183 T HN 0.055 nan 8.240 nan 0.000 0.530 184 K N 3.731 123.936 120.400 -0.324 0.000 2.278 184 K HA 0.205 4.525 4.320 -0.000 0.000 0.237 184 K C -0.487 176.046 176.600 -0.112 0.000 1.229 184 K CA -0.041 56.143 56.287 -0.172 0.000 1.155 184 K CB -0.509 31.939 32.500 -0.085 0.000 1.590 184 K HN 0.435 nan 8.250 nan 0.000 0.290 185 Y N 0.756 121.067 120.300 0.019 0.000 2.314 185 Y HA 0.137 4.687 4.550 -0.000 0.000 0.334 185 Y C 0.705 176.621 175.900 0.026 0.000 1.266 185 Y CA -0.718 57.399 58.100 0.028 0.000 1.391 185 Y CB 0.554 39.035 38.460 0.036 0.000 1.306 185 Y HN 0.151 nan 8.280 nan 0.000 0.558 186 K N 1.474 122.003 120.400 0.215 0.000 2.185 186 K HA 0.154 4.474 4.320 -0.000 0.000 0.271 186 K C 0.770 177.430 176.600 0.100 0.000 1.013 186 K CA -0.420 55.937 56.287 0.117 0.000 0.943 186 K CB 0.665 33.217 32.500 0.087 0.000 0.998 186 K HN 0.491 nan 8.250 nan 0.000 0.468 187 E N 0.933 121.174 120.200 0.068 0.000 2.285 187 E HA -0.111 4.239 4.350 -0.000 0.000 0.194 187 E C -0.158 176.460 176.600 0.030 0.000 0.997 187 E CA 0.691 57.122 56.400 0.051 0.000 0.845 187 E CB 0.194 29.917 29.700 0.038 0.000 0.782 187 E HN 0.482 nan 8.360 nan 0.000 0.491 188 E N -0.001 120.217 120.200 0.030 0.000 2.174 188 E HA 0.355 4.705 4.350 -0.000 0.000 0.282 188 E C 0.321 176.928 176.600 0.011 0.000 0.992 188 E CA 0.221 56.630 56.400 0.015 0.000 0.803 188 E CB 0.977 30.687 29.700 0.017 0.000 1.090 188 E HN 0.202 nan 8.360 nan 0.000 0.396 189 G N 2.456 111.251 108.800 -0.008 0.000 2.147 189 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.244 189 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.244 189 G C -0.281 174.602 174.900 -0.030 0.000 1.005 189 G CA 0.284 45.374 45.100 -0.016 0.000 0.713 189 G HN 1.152 nan 8.290 nan 0.000 0.515 190 V N -1.778 118.105 119.914 -0.052 0.000 3.036 190 V HA 0.594 4.714 4.120 -0.000 0.000 0.288 190 V C -0.748 175.277 176.094 -0.115 0.000 1.407 190 V CA -0.339 61.913 62.300 -0.080 0.000 0.983 190 V CB 2.152 33.950 31.823 -0.042 0.000 1.128 190 V HN 0.879 nan 8.190 nan 0.000 0.439 191 V N 5.337 125.119 119.914 -0.220 0.000 2.368 191 V HA 0.625 4.745 4.120 -0.000 0.000 0.266 191 V C 0.556 176.732 176.094 0.135 0.000 1.045 191 V CA 0.284 62.445 62.300 -0.231 0.000 0.899 191 V CB 0.872 32.206 31.823 -0.814 0.000 1.006 191 V HN 1.050 nan 8.190 nan 0.000 0.470 192 T N 2.290 116.954 114.554 0.184 0.000 2.932 192 T HA 0.539 4.889 4.350 -0.000 0.000 0.289 192 T C 1.269 176.192 174.700 0.372 0.000 1.039 192 T CA -0.743 61.523 62.100 0.275 0.000 1.024 192 T CB 1.781 70.748 68.868 0.166 0.000 1.090 192 T HN 0.315 nan 8.240 nan 0.000 0.496 193 I N 0.238 120.986 120.570 0.296 0.000 2.231 193 I HA -0.346 3.824 4.170 -0.000 0.000 0.251 193 I C 2.076 178.321 176.117 0.213 0.000 1.076 193 I CA 1.340 62.779 61.300 0.231 0.000 1.347 193 I CB -1.605 36.393 38.000 -0.004 0.000 1.038 193 I HN 0.758 nan 8.210 nan 0.000 0.429 194 K N 0.985 121.485 120.400 0.167 0.000 1.975 194 K HA -0.050 4.270 4.320 -0.000 0.000 0.210 194 K C 1.973 178.642 176.600 0.115 0.000 1.041 194 K CA 1.826 58.185 56.287 0.120 0.000 0.942 194 K CB -1.672 30.891 32.500 0.105 0.000 0.729 194 K HN 0.353 nan 8.250 nan 0.000 0.439 195 T N 1.746 116.366 114.554 0.110 0.000 2.736 195 T HA -0.242 4.108 4.350 -0.000 0.000 0.265 195 T C 1.928 176.666 174.700 0.063 0.000 1.031 195 T CA 1.999 64.138 62.100 0.065 0.000 1.155 195 T CB -0.485 68.404 68.868 0.034 0.000 0.849 195 T HN 0.402 nan 8.240 nan 0.000 0.471 196 I N 0.270 120.914 120.570 0.123 0.000 2.385 196 I HA 0.166 4.336 4.170 -0.000 0.000 0.244 196 I C 1.068 177.245 176.117 0.100 0.000 1.089 196 I CA 1.196 62.564 61.300 0.113 0.000 1.410 196 I CB -0.206 37.908 38.000 0.189 0.000 1.117 196 I HN 0.072 nan 8.210 nan 0.000 0.429 197 T N 2.405 117.033 114.554 0.124 0.000 2.929 197 T HA 0.231 4.581 4.350 -0.000 0.000 0.331 197 T C 0.969 175.712 174.700 0.071 0.000 1.120 197 T CA -0.655 61.498 62.100 0.087 0.000 0.973 197 T CB -0.003 68.918 68.868 0.088 0.000 1.036 197 T HN 0.249 nan 8.240 nan 0.000 0.502 198 K N 3.249 123.681 120.400 0.053 0.000 2.091 198 K HA -0.240 4.080 4.320 -0.000 0.000 0.225 198 K C 0.795 177.421 176.600 0.043 0.000 1.028 198 K CA 1.739 58.051 56.287 0.042 0.000 0.965 198 K CB -0.734 31.783 32.500 0.030 0.000 0.786 198 K HN 0.562 nan 8.250 nan 0.000 0.459 199 K N 1.589 122.012 120.400 0.038 0.000 2.285 199 K HA -0.019 4.301 4.320 -0.000 0.000 0.255 199 K C 0.346 176.969 176.600 0.039 0.000 1.000 199 K CA 0.065 56.372 56.287 0.033 0.000 0.887 199 K CB 0.144 32.660 32.500 0.028 0.000 0.997 199 K HN 0.086 nan 8.250 nan 0.000 0.510 200 D N 0.073 120.491 120.400 0.030 0.000 2.393 200 D HA 0.102 4.742 4.640 -0.000 0.000 0.246 200 D C 0.206 176.522 176.300 0.027 0.000 1.275 200 D CA 0.070 54.087 54.000 0.029 0.000 0.979 200 D CB 0.532 41.343 40.800 0.017 0.000 1.101 200 D HN 0.228 nan 8.370 nan 0.000 0.505 201 M N -0.002 119.610 119.600 0.021 0.000 2.227 201 M HA 0.401 4.881 4.480 -0.000 0.000 0.316 201 M C -0.503 175.799 176.300 0.002 0.000 1.144 201 M CA -0.346 54.962 55.300 0.012 0.000 1.121 201 M CB 1.063 33.667 32.600 0.007 0.000 1.440 201 M HN 0.040 nan 8.290 nan 0.000 0.473 202 V N -0.382 119.531 119.914 -0.002 0.000 3.167 202 V HA 0.307 4.427 4.120 -0.000 0.000 0.310 202 V C 0.377 176.465 176.094 -0.010 0.000 1.207 202 V CA -0.989 61.308 62.300 -0.005 0.000 1.059 202 V CB 1.614 33.437 31.823 -0.001 0.000 1.079 202 V HN 0.929 nan 8.190 nan 0.000 0.446 203 N N 1.111 119.805 118.700 -0.011 0.000 2.149 203 N HA -0.214 4.526 4.740 -0.000 0.000 0.188 203 N C 1.174 176.677 175.510 -0.012 0.000 1.019 203 N CA 1.817 54.859 53.050 -0.013 0.000 0.857 203 N CB -0.549 37.931 38.487 -0.011 0.000 0.997 203 N HN 0.765 nan 8.380 nan 0.000 0.426 204 K N 0.392 120.787 120.400 -0.009 0.000 2.044 204 K HA -0.148 4.172 4.320 -0.000 0.000 0.210 204 K C 1.452 178.044 176.600 -0.013 0.000 1.049 204 K CA 1.915 58.198 56.287 -0.008 0.000 0.927 204 K CB -0.236 32.263 32.500 -0.002 0.000 0.713 204 K HN 0.181 nan 8.250 nan 0.000 0.443 205 D N 0.590 120.981 120.400 -0.016 0.000 2.106 205 D HA -0.247 4.393 4.640 -0.000 0.000 0.191 205 D C 1.772 178.051 176.300 -0.035 0.000 0.997 205 D CA 1.350 55.331 54.000 -0.031 0.000 0.834 205 D CB -0.285 40.494 40.800 -0.034 0.000 0.956 205 D HN 0.273 nan 8.370 nan 0.000 0.448 206 Q N 0.326 120.109 119.800 -0.027 0.000 2.458 206 Q HA -0.185 4.155 4.340 -0.000 0.000 0.215 206 Q C 1.289 177.274 176.000 -0.026 0.000 0.989 206 Q CA 1.530 57.319 55.803 -0.025 0.000 0.895 206 Q CB 0.166 28.891 28.738 -0.021 0.000 0.934 206 Q HN 0.446 nan 8.270 nan 0.000 0.475 207 V N -3.536 116.363 119.914 -0.025 0.000 3.442 207 V HA 0.336 4.456 4.120 -0.000 0.000 0.205 207 V C 0.316 176.394 176.094 -0.026 0.000 1.320 207 V CA -0.063 62.221 62.300 -0.026 0.000 1.306 207 V CB 0.542 32.353 31.823 -0.020 0.000 1.267 207 V HN 0.150 nan 8.190 nan 0.000 0.538 208 L N 2.314 123.527 121.223 -0.017 0.000 2.490 208 L HA 0.592 4.932 4.340 -0.000 0.000 0.261 208 L C -1.118 175.751 176.870 -0.002 0.000 1.232 208 L CA -0.155 54.679 54.840 -0.010 0.000 0.892 208 L CB 1.006 43.061 42.059 -0.006 0.000 1.085 208 L HN 0.383 nan 8.230 nan 0.000 0.491 209 N N 4.295 122.993 118.700 -0.004 0.000 2.439 209 N HA 0.320 5.060 4.740 -0.000 0.000 0.243 209 N C -1.918 173.607 175.510 0.024 0.000 1.088 209 N CA -2.087 50.967 53.050 0.007 0.000 0.940 209 N CB 1.315 39.802 38.487 0.000 0.000 1.180 209 N HN 0.281 nan 8.380 nan 0.000 0.505 210 P HA -0.044 nan 4.420 nan 0.000 0.234 210 P C 0.497 177.822 177.300 0.041 0.000 1.162 210 P CA 0.676 63.795 63.100 0.031 0.000 0.759 210 P CB 0.296 32.008 31.700 0.022 0.000 0.813 211 I N -2.113 118.484 120.570 0.046 0.000 2.729 211 I HA -0.019 4.151 4.170 -0.000 0.000 0.256 211 I C 0.936 177.109 176.117 0.094 0.000 1.115 211 I CA 0.846 62.181 61.300 0.057 0.000 1.446 211 I CB -0.980 37.049 38.000 0.048 0.000 1.176 211 I HN -0.318 nan 8.210 nan 0.000 0.446 212 S N 3.983 119.738 115.700 0.091 0.000 3.570 212 S HA 0.095 4.565 4.470 -0.000 0.000 0.259 212 S C 0.001 174.753 174.600 0.253 0.000 1.150 212 S CA 0.208 58.493 58.200 0.141 0.000 1.139 212 S CB -1.008 62.195 63.200 0.004 0.000 1.624 212 S HN 0.142 nan 8.310 nan 0.000 0.525 213 K N 1.747 122.325 120.400 0.298 0.000 2.443 213 K HA 0.740 5.060 4.320 -0.000 0.000 0.252 213 K C -0.217 176.493 176.600 0.184 0.000 0.933 213 K CA -0.472 55.974 56.287 0.264 0.000 0.792 213 K CB 2.298 34.864 32.500 0.110 0.000 1.185 213 K HN 0.387 nan 8.250 nan 0.000 0.425 214 A N 2.567 125.398 122.820 0.019 0.000 2.686 214 A HA 0.748 5.068 4.320 -0.000 0.000 0.263 214 A C -1.075 176.318 177.584 -0.317 0.000 1.264 214 A CA -0.604 51.283 52.037 -0.250 0.000 0.799 214 A CB 1.318 19.910 19.000 -0.680 0.000 1.363 214 A HN 0.552 nan 8.150 nan 0.000 0.507 215 K N -0.364 119.805 120.400 -0.385 0.000 2.395 215 K HA 0.473 4.793 4.320 -0.000 0.000 0.247 215 K C -0.915 175.302 176.600 -0.639 0.000 0.973 215 K CA -0.697 55.347 56.287 -0.405 0.000 0.828 215 K CB 2.021 34.373 32.500 -0.248 0.000 1.272 215 K HN 0.466 nan 8.250 nan 0.000 0.439 216 L N 3.411 124.253 121.223 -0.635 0.000 2.919 216 L HA 0.003 4.343 4.340 -0.000 0.000 0.242 216 L C 0.197 176.870 176.870 -0.328 0.000 1.366 216 L CA 0.413 54.806 54.840 -0.745 0.000 1.212 216 L CB -0.847 40.860 42.059 -0.586 0.000 1.604 216 L HN 0.702 nan 8.230 nan 0.000 0.433 217 D N -1.512 118.796 120.400 -0.153 0.000 2.350 217 D HA -0.133 4.507 4.640 -0.000 0.000 0.216 217 D C 0.839 177.201 176.300 0.103 0.000 0.968 217 D CA 0.873 54.882 54.000 0.014 0.000 0.894 217 D CB 0.373 41.184 40.800 0.017 0.000 0.909 217 D HN 0.172 nan 8.370 nan 0.000 0.520 218 K N -0.783 119.780 120.400 0.273 0.000 2.209 218 K HA 0.570 4.890 4.320 -0.000 0.000 0.252 218 K C -1.303 175.416 176.600 0.198 0.000 1.062 218 K CA -0.834 55.576 56.287 0.204 0.000 1.003 218 K CB 1.159 33.725 32.500 0.110 0.000 1.495 218 K HN 0.042 nan 8.250 nan 0.000 0.641 219 D N -2.325 118.165 120.400 0.150 0.000 2.661 219 D HA 0.413 5.053 4.640 -0.000 0.000 0.228 219 D C -0.253 176.126 176.300 0.131 0.000 1.210 219 D CA -0.057 54.027 54.000 0.140 0.000 0.826 219 D CB 1.448 42.296 40.800 0.080 0.000 1.542 219 D HN 0.519 nan 8.370 nan 0.000 0.447 220 G N 1.627 110.520 108.800 0.155 0.000 2.361 220 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.294 220 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.294 220 G C 0.512 175.473 174.900 0.102 0.000 1.004 220 G CA 1.387 46.560 45.100 0.122 0.000 0.870 220 G HN 0.402 nan 8.290 nan 0.000 0.510 221 M N -1.861 117.829 119.600 0.149 0.000 3.049 221 M HA 0.409 4.889 4.480 -0.000 0.000 0.234 221 M C 0.324 176.645 176.300 0.035 0.000 1.632 221 M CA 0.191 55.507 55.300 0.026 0.000 1.259 221 M CB 0.382 32.899 32.600 -0.139 0.000 1.199 221 M HN 0.122 nan 8.290 nan 0.000 0.580 222 Y N 2.369 122.684 120.300 0.024 0.000 2.359 222 Y HA 0.388 4.938 4.550 -0.000 0.000 0.334 222 Y C -2.131 173.922 175.900 0.255 0.000 1.058 222 Y CA -3.268 54.887 58.100 0.092 0.000 1.244 222 Y CB -0.936 37.367 38.460 -0.261 0.000 1.187 222 Y HN 0.162 nan 8.280 nan 0.000 0.510 223 P HA 0.088 nan 4.420 nan 0.000 0.276 223 P C 0.345 177.763 177.300 0.196 0.000 1.244 223 P CA -0.311 62.885 63.100 0.161 0.000 0.801 223 P CB 2.002 33.699 31.700 -0.005 0.000 1.006 224 V N 0.663 120.548 119.914 -0.047 0.000 3.129 224 V HA -0.089 4.031 4.120 -0.000 0.000 0.259 224 V C 2.426 178.398 176.094 -0.205 0.000 1.116 224 V CA 1.212 63.393 62.300 -0.199 0.000 1.127 224 V CB -1.513 29.983 31.823 -0.545 0.000 0.742 224 V HN 0.614 nan 8.190 nan 0.000 0.474 225 E N 0.161 120.295 120.200 -0.111 0.000 2.331 225 E HA -0.163 4.187 4.350 -0.000 0.000 0.199 225 E C 1.793 178.364 176.600 -0.048 0.000 1.008 225 E CA 1.265 57.644 56.400 -0.036 0.000 0.843 225 E CB 0.088 29.820 29.700 0.054 0.000 0.761 225 E HN 0.683 nan 8.360 nan 0.000 0.507 226 I N -1.799 118.675 120.570 -0.161 0.000 3.534 226 I HA 0.050 4.220 4.170 -0.000 0.000 0.251 226 I C 0.142 175.963 176.117 -0.493 0.000 1.136 226 I CA -0.281 60.817 61.300 -0.337 0.000 1.475 226 I CB -0.017 37.605 38.000 -0.630 0.000 1.526 226 I HN -0.007 nan 8.210 nan 0.000 0.454 227 W N 2.915 124.144 121.300 -0.118 0.000 2.266 227 W HA 0.298 4.958 4.660 -0.000 0.000 0.317 227 W C 0.103 176.459 176.519 -0.271 0.000 1.310 227 W CA 0.059 57.344 57.345 -0.100 0.000 1.207 227 W CB 0.277 29.743 29.460 0.011 0.000 1.199 227 W HN 0.053 nan 8.180 nan 0.000 0.544 228 H N 2.849 122.138 119.070 0.364 0.000 2.821 228 H HA 0.261 4.817 4.556 -0.000 0.000 0.373 228 H C -2.248 173.104 175.328 0.041 0.000 1.165 228 H CA -2.221 53.992 56.048 0.275 0.000 1.154 228 H CB 1.765 31.636 29.762 0.181 0.000 1.765 228 H HN 0.033 nan 8.280 nan 0.000 0.549 229 P HA -0.058 nan 4.420 nan 0.000 0.265 229 P C -0.246 176.914 177.300 -0.234 0.000 1.222 229 P CA 0.267 63.103 63.100 -0.440 0.000 0.767 229 P CB 0.453 31.557 31.700 -0.995 0.000 0.801 230 D N 5.498 125.799 120.400 -0.165 0.000 2.249 230 D HA 0.178 4.818 4.640 -0.000 0.000 0.246 230 D C -2.033 174.265 176.300 -0.003 0.000 1.114 230 D CA -2.734 51.249 54.000 -0.029 0.000 0.854 230 D CB 0.594 41.395 40.800 0.002 0.000 1.132 230 D HN 0.188 nan 8.370 nan 0.000 0.461 231 P HA 0.202 nan 4.420 nan 0.000 0.230 231 P C -0.361 176.972 177.300 0.056 0.000 1.791 231 P CA -0.361 62.808 63.100 0.115 0.000 1.020 231 P CB -0.051 31.720 31.700 0.118 0.000 1.977 232 A N 3.981 126.821 122.820 0.033 0.000 2.520 232 A HA 0.019 4.339 4.320 -0.000 0.000 0.235 232 A C 1.730 179.325 177.584 0.018 0.000 1.065 232 A CA -0.190 51.855 52.037 0.013 0.000 0.764 232 A CB 0.327 19.321 19.000 -0.010 0.000 1.002 232 A HN 0.432 nan 8.150 nan 0.000 0.502 233 K N 1.533 121.940 120.400 0.012 0.000 2.442 233 K HA -0.119 4.201 4.320 -0.000 0.000 0.199 233 K C -0.203 176.400 176.600 0.005 0.000 1.044 233 K CA 1.419 57.711 56.287 0.009 0.000 0.941 233 K CB -0.373 32.131 32.500 0.007 0.000 0.759 233 K HN 0.676 nan 8.250 nan 0.000 0.472 234 N N 0.250 118.950 118.700 0.001 0.000 2.225 234 N HA 0.267 5.007 4.740 -0.000 0.000 0.298 234 N C -1.593 173.911 175.510 -0.011 0.000 1.076 234 N CA -0.535 52.512 53.050 -0.005 0.000 0.792 234 N CB 2.041 40.523 38.487 -0.008 0.000 1.498 234 N HN 0.019 nan 8.380 nan 0.000 0.474 235 E N 0.400 120.591 120.200 -0.014 0.000 2.431 235 E HA 0.172 4.522 4.350 -0.000 0.000 0.287 235 E C -1.453 175.132 176.600 -0.025 0.000 1.032 235 E CA -0.385 56.002 56.400 -0.022 0.000 0.839 235 E CB 1.154 30.856 29.700 0.003 0.000 1.218 235 E HN 0.528 nan 8.360 nan 0.000 0.424 236 N N 1.217 119.894 118.700 -0.037 0.000 2.291 236 N HA 0.221 4.961 4.740 -0.000 0.000 0.244 236 N C -1.447 174.049 175.510 -0.024 0.000 1.216 236 N CA 0.195 53.230 53.050 -0.024 0.000 0.879 236 N CB 0.863 39.336 38.487 -0.023 0.000 1.167 236 N HN 0.383 nan 8.380 nan 0.000 0.515 237 T N -0.867 113.668 114.554 -0.032 0.000 2.924 237 T HA 0.582 4.932 4.350 -0.000 0.000 0.291 237 T C -0.533 174.141 174.700 -0.044 0.000 1.045 237 T CA -0.873 61.215 62.100 -0.020 0.000 1.015 237 T CB 2.045 70.890 68.868 -0.039 0.000 1.103 237 T HN -0.102 nan 8.240 nan 0.000 0.496 238 R N 1.199 121.648 120.500 -0.084 0.000 2.621 238 R HA 0.617 4.957 4.340 -0.000 0.000 0.292 238 R C -1.447 174.517 176.300 -0.560 0.000 0.969 238 R CA -0.786 55.121 56.100 -0.322 0.000 0.887 238 R CB 1.893 32.104 30.300 -0.148 0.000 1.180 238 R HN 0.942 nan 8.270 nan 0.000 0.450 239 Y N 0.261 119.886 120.300 -1.125 0.000 2.638 239 Y HA 0.811 5.361 4.550 -0.000 0.000 0.335 239 Y C -1.414 173.480 175.900 -1.676 0.000 1.155 239 Y CA -1.725 55.618 58.100 -1.262 0.000 1.046 239 Y CB 1.367 39.524 38.460 -0.506 0.000 1.303 239 Y HN 0.457 nan 8.280 nan 0.000 0.460 240 F N -1.246 118.605 119.950 -0.165 0.000 2.829 240 F HA 0.852 5.379 4.527 -0.000 0.000 0.319 240 F C -0.245 175.479 175.800 -0.127 0.000 1.153 240 F CA -1.160 56.766 58.000 -0.123 0.000 0.912 240 F CB 0.931 39.785 39.000 -0.243 0.000 1.292 240 F HN 1.162 nan 8.300 nan 0.000 0.447 241 G N 0.637 109.567 108.800 0.217 0.000 2.323 241 G HA2 0.532 4.492 3.960 -0.000 0.000 0.291 241 G HA3 0.532 4.492 3.960 -0.000 0.000 0.291 241 G C -2.354 172.553 174.900 0.011 0.000 1.278 241 G CA -0.355 44.795 45.100 0.083 0.000 0.860 241 G HN 1.707 nan 8.290 nan 0.000 0.504 242 N N -2.497 116.145 118.700 -0.097 0.000 2.859 242 N HA 0.559 5.299 4.740 -0.000 0.000 0.250 242 N C -1.706 173.809 175.510 0.007 0.000 1.341 242 N CA -0.922 52.111 53.050 -0.028 0.000 0.881 242 N CB 1.986 40.494 38.487 0.036 0.000 1.516 242 N HN 0.843 nan 8.380 nan 0.000 0.503 243 Y N 0.508 120.827 120.300 0.030 0.000 2.419 243 Y HA 0.689 5.239 4.550 -0.000 0.000 0.328 243 Y C -1.071 174.886 175.900 0.095 0.000 1.162 243 Y CA -0.202 57.993 58.100 0.158 0.000 1.174 243 Y CB 1.995 40.586 38.460 0.218 0.000 1.228 243 Y HN 0.706 nan 8.280 nan 0.000 0.473 244 T N 3.525 117.453 114.554 -1.043 0.000 3.313 244 T HA 0.446 4.796 4.350 -0.000 0.000 0.333 244 T C 0.072 174.160 174.700 -1.021 0.000 0.904 244 T CA -0.481 61.181 62.100 -0.731 0.000 1.079 244 T CB 0.282 68.954 68.868 -0.327 0.000 1.017 244 T HN 0.981 nan 8.240 nan 0.000 0.471 245 G N 0.876 109.024 108.800 -1.086 0.000 2.570 245 G HA2 0.719 4.679 3.960 -0.000 0.000 0.276 245 G HA3 0.719 4.679 3.960 -0.000 0.000 0.276 245 G C 0.513 175.366 174.900 -0.078 0.000 1.346 245 G CA 0.169 45.064 45.100 -0.342 0.000 1.034 245 G HN 1.509 nan 8.290 nan 0.000 0.512 246 G N -2.992 105.862 108.800 0.090 0.000 2.497 246 G HA2 0.307 4.267 3.960 -0.000 0.000 0.686 246 G HA3 0.307 4.267 3.960 -0.000 0.000 0.686 246 G C 0.498 175.491 174.900 0.154 0.000 1.288 246 G CA 0.666 45.814 45.100 0.080 0.000 0.899 246 G HN 1.588 nan 8.290 nan 0.000 0.608 247 T N -4.275 110.358 114.554 0.132 0.000 3.038 247 T HA 0.222 4.572 4.350 -0.000 0.000 0.244 247 T C 2.079 176.894 174.700 0.191 0.000 1.016 247 T CA 2.077 64.289 62.100 0.186 0.000 1.098 247 T CB 0.005 68.931 68.868 0.095 0.000 0.954 247 T HN 1.445 nan 8.240 nan 0.000 0.469 248 T N 0.184 114.804 114.554 0.110 0.000 2.990 248 T HA 0.181 4.531 4.350 -0.000 0.000 0.249 248 T C 0.760 175.484 174.700 0.041 0.000 1.039 248 T CA -0.072 62.081 62.100 0.088 0.000 1.036 248 T CB -0.630 68.276 68.868 0.064 0.000 0.994 248 T HN 0.317 nan 8.240 nan 0.000 0.489 249 T N 4.771 119.336 114.554 0.018 0.000 2.510 249 T HA 0.002 4.352 4.350 -0.000 0.000 0.218 249 T C -2.514 172.163 174.700 -0.038 0.000 1.031 249 T CA -0.160 61.927 62.100 -0.021 0.000 1.169 249 T CB -0.225 68.614 68.868 -0.049 0.000 1.007 249 T HN 0.215 nan 8.240 nan 0.000 0.462 250 P HA 0.251 nan 4.420 nan 0.000 0.276 250 P C -2.332 174.940 177.300 -0.047 0.000 1.235 250 P CA -1.414 61.666 63.100 -0.032 0.000 0.772 250 P CB 0.180 31.867 31.700 -0.022 0.000 0.871 251 P HA 0.113 nan 4.420 nan 0.000 0.276 251 P C -1.044 176.225 177.300 -0.052 0.000 1.235 251 P CA 0.161 63.233 63.100 -0.047 0.000 0.772 251 P CB 0.507 32.180 31.700 -0.046 0.000 0.871 252 V N 2.633 122.519 119.914 -0.047 0.000 2.760 252 V HA 0.653 4.773 4.120 -0.000 0.000 0.309 252 V C -0.449 175.566 176.094 -0.131 0.000 1.077 252 V CA -0.712 61.538 62.300 -0.083 0.000 0.910 252 V CB 1.842 33.625 31.823 -0.066 0.000 1.008 252 V HN 0.369 nan 8.190 nan 0.000 0.424 253 L N 1.859 122.957 121.223 -0.208 0.000 2.491 253 L HA 0.660 5.000 4.340 -0.000 0.000 0.254 253 L C -1.133 175.537 176.870 -0.333 0.000 1.048 253 L CA -0.487 54.164 54.840 -0.315 0.000 0.855 253 L CB 2.863 44.657 42.059 -0.443 0.000 1.466 253 L HN 0.595 nan 8.230 nan 0.000 0.409 254 Q N 1.834 121.426 119.800 -0.347 0.000 2.508 254 Q HA 0.360 4.700 4.340 -0.000 0.000 0.247 254 Q C -1.292 174.627 176.000 -0.135 0.000 1.047 254 Q CA -0.287 55.378 55.803 -0.230 0.000 0.783 254 Q CB 0.814 29.462 28.738 -0.150 0.000 1.172 254 Q HN 0.248 nan 8.270 nan 0.000 0.515 255 F N 1.600 121.485 119.950 -0.108 0.000 2.541 255 F HA 0.255 4.782 4.527 -0.000 0.000 0.347 255 F C 0.570 176.302 175.800 -0.113 0.000 1.242 255 F CA 0.079 58.010 58.000 -0.115 0.000 1.123 255 F CB 0.513 39.454 39.000 -0.099 0.000 1.354 255 F HN 0.062 nan 8.300 nan 0.000 0.621 256 T N 2.697 117.316 114.554 0.107 0.000 3.193 256 T HA 0.168 4.518 4.350 -0.000 0.000 0.332 256 T C 0.358 175.014 174.700 -0.074 0.000 1.208 256 T CA -0.867 61.230 62.100 -0.006 0.000 1.080 256 T CB 0.680 69.541 68.868 -0.012 0.000 1.180 256 T HN 0.632 nan 8.240 nan 0.000 0.469 257 N N 1.400 120.041 118.700 -0.099 0.000 2.313 257 N HA 0.075 4.815 4.740 -0.000 0.000 0.207 257 N C 0.931 176.396 175.510 -0.075 0.000 1.141 257 N CA -0.270 52.705 53.050 -0.124 0.000 0.830 257 N CB 0.376 38.778 38.487 -0.141 0.000 1.008 257 N HN 0.373 nan 8.380 nan 0.000 0.481 258 T N -0.705 113.816 114.554 -0.055 0.000 3.034 258 T HA 0.170 4.520 4.350 -0.000 0.000 0.248 258 T C 0.357 175.040 174.700 -0.027 0.000 1.040 258 T CA 0.069 62.147 62.100 -0.037 0.000 1.107 258 T CB 0.403 69.252 68.868 -0.032 0.000 0.932 258 T HN 0.067 nan 8.240 nan 0.000 0.474 259 L N 3.075 124.279 121.223 -0.032 0.000 2.309 259 L HA 0.513 4.853 4.340 -0.000 0.000 0.282 259 L C 0.153 177.013 176.870 -0.016 0.000 1.036 259 L CA -0.071 54.754 54.840 -0.025 0.000 0.806 259 L CB 1.002 43.042 42.059 -0.033 0.000 1.220 259 L HN 0.189 nan 8.230 nan 0.000 0.429 260 T N 0.696 115.248 114.554 -0.002 0.000 2.940 260 T HA 0.792 5.142 4.350 -0.000 0.000 0.288 260 T C 0.003 174.712 174.700 0.015 0.000 1.033 260 T CA -0.601 61.508 62.100 0.015 0.000 1.033 260 T CB 2.079 70.963 68.868 0.027 0.000 1.079 260 T HN 0.540 nan 8.240 nan 0.000 0.496 261 T N 0.864 115.441 114.554 0.038 0.000 2.906 261 T HA 0.540 4.890 4.350 -0.000 0.000 0.295 261 T C -0.536 174.220 174.700 0.094 0.000 1.061 261 T CA -0.766 61.365 62.100 0.052 0.000 1.000 261 T CB 1.552 70.455 68.868 0.058 0.000 1.103 261 T HN 0.490 nan 8.240 nan 0.000 0.486 262 V N 3.459 123.430 119.914 0.095 0.000 2.318 262 V HA 0.250 4.370 4.120 -0.000 0.000 0.271 262 V C 1.277 177.458 176.094 0.144 0.000 1.030 262 V CA -0.519 61.845 62.300 0.107 0.000 0.844 262 V CB 0.241 32.108 31.823 0.075 0.000 1.015 262 V HN 0.828 nan 8.190 nan 0.000 0.460 263 L N 3.252 124.565 121.223 0.151 0.000 2.465 263 L HA 0.043 4.383 4.340 -0.000 0.000 0.224 263 L C 0.978 177.907 176.870 0.097 0.000 1.145 263 L CA 0.368 55.297 54.840 0.148 0.000 0.834 263 L CB -0.337 41.810 42.059 0.147 0.000 0.944 263 L HN 0.422 nan 8.230 nan 0.000 0.451 264 L N 1.656 122.930 121.223 0.085 0.000 2.525 264 L HA -0.062 4.278 4.340 -0.000 0.000 0.278 264 L C 0.760 177.661 176.870 0.052 0.000 1.218 264 L CA 0.601 55.479 54.840 0.063 0.000 0.878 264 L CB 0.041 42.134 42.059 0.056 0.000 1.127 264 L HN 0.202 nan 8.230 nan 0.000 0.492 265 D N 2.114 122.538 120.400 0.040 0.000 2.469 265 D HA 0.043 4.683 4.640 -0.000 0.000 0.278 265 D C 0.499 176.813 176.300 0.024 0.000 1.231 265 D CA -0.145 53.871 54.000 0.026 0.000 1.075 265 D CB 0.354 41.165 40.800 0.019 0.000 1.121 265 D HN 0.596 nan 8.370 nan 0.000 0.571 266 E N -1.180 119.029 120.200 0.016 0.000 2.427 266 E HA 0.005 4.355 4.350 -0.000 0.000 0.196 266 E C 0.627 177.237 176.600 0.016 0.000 1.028 266 E CA 0.395 56.804 56.400 0.015 0.000 0.864 266 E CB -0.028 29.677 29.700 0.009 0.000 0.813 266 E HN 0.309 nan 8.360 nan 0.000 0.514 267 N N 0.067 118.778 118.700 0.018 0.000 2.204 267 N HA 0.089 4.829 4.740 -0.000 0.000 0.219 267 N C 0.075 175.600 175.510 0.024 0.000 1.151 267 N CA 0.583 53.645 53.050 0.019 0.000 0.867 267 N CB 1.672 40.169 38.487 0.017 0.000 1.043 267 N HN 0.156 nan 8.380 nan 0.000 0.516 268 G N 0.793 109.610 108.800 0.028 0.000 2.470 268 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.286 268 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.286 268 G C 0.351 175.273 174.900 0.037 0.000 1.115 268 G CA 0.279 45.399 45.100 0.033 0.000 1.122 268 G HN 0.179 nan 8.290 nan 0.000 0.522 269 V N -0.093 119.844 119.914 0.038 0.000 3.165 269 V HA 0.678 4.798 4.120 -0.000 0.000 0.231 269 V C 2.014 178.137 176.094 0.049 0.000 1.365 269 V CA 1.617 63.941 62.300 0.041 0.000 1.286 269 V CB -0.052 31.791 31.823 0.034 0.000 1.081 269 V HN 2.440 nan 8.190 nan 0.000 0.477 270 G N 1.498 110.328 108.800 0.049 0.000 2.804 270 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.230 270 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.230 270 G C -2.989 171.945 174.900 0.056 0.000 1.386 270 G CA -0.273 44.863 45.100 0.060 0.000 0.875 270 G HN 0.363 nan 8.290 nan 0.000 0.557 271 P HA 0.681 nan 4.420 nan 0.000 0.280 271 P C -0.618 176.728 177.300 0.078 0.000 1.272 271 P CA -0.589 62.550 63.100 0.063 0.000 0.819 271 P CB 0.781 32.525 31.700 0.073 0.000 1.122 272 L N 0.292 121.561 121.223 0.076 0.000 2.406 272 L HA 0.363 4.703 4.340 -0.000 0.000 0.272 272 L C -0.800 176.134 176.870 0.108 0.000 0.980 272 L CA -0.274 54.619 54.840 0.089 0.000 0.831 272 L CB 1.050 43.142 42.059 0.056 0.000 1.253 272 L HN 0.332 nan 8.230 nan 0.000 0.406 273 C N 2.795 122.187 119.300 0.153 0.000 2.492 273 C HA 0.304 4.764 4.460 -0.000 0.000 0.362 273 C C 0.721 175.799 174.990 0.148 0.000 1.207 273 C CA -1.000 58.123 59.018 0.176 0.000 1.626 273 C CB -1.553 26.303 27.740 0.193 0.000 2.239 273 C HN 0.714 nan 8.230 nan 0.000 0.547 274 K N 2.844 123.322 120.400 0.129 0.000 2.258 274 K HA 0.567 4.887 4.320 -0.000 0.000 0.284 274 K C 0.337 177.013 176.600 0.126 0.000 1.051 274 K CA 0.108 56.454 56.287 0.098 0.000 0.923 274 K CB 0.611 33.156 32.500 0.075 0.000 1.046 274 K HN 0.954 nan 8.250 nan 0.000 0.474 275 G N 2.722 111.581 108.800 0.097 0.000 3.439 275 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.684 275 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.684 275 G C -0.201 174.759 174.900 0.099 0.000 1.005 275 G CA -0.845 44.309 45.100 0.089 0.000 0.837 275 G HN 0.656 nan 8.290 nan 0.000 0.470 276 E N 0.183 120.436 120.200 0.088 0.000 2.413 276 E HA 0.082 4.432 4.350 -0.000 0.000 0.210 276 E C 1.486 178.138 176.600 0.086 0.000 1.273 276 E CA 0.983 57.473 56.400 0.150 0.000 1.009 276 E CB -0.689 29.117 29.700 0.177 0.000 1.008 276 E HN 1.040 nan 8.360 nan 0.000 0.543 277 G N 0.217 109.022 108.800 0.008 0.000 2.400 277 G HA2 0.526 4.486 3.960 -0.000 0.000 0.333 277 G HA3 0.526 4.486 3.960 -0.000 0.000 0.333 277 G C -0.840 173.972 174.900 -0.148 0.000 1.143 277 G CA -0.621 44.375 45.100 -0.175 0.000 0.914 277 G HN 0.200 nan 8.290 nan 0.000 0.480 278 L N 1.266 122.344 121.223 -0.242 0.000 2.317 278 L HA 0.606 4.946 4.340 -0.000 0.000 0.281 278 L C -1.217 175.528 176.870 -0.208 0.000 1.024 278 L CA -1.006 53.773 54.840 -0.102 0.000 0.810 278 L CB 1.536 43.511 42.059 -0.140 0.000 1.240 278 L HN 0.505 nan 8.230 nan 0.000 0.427 279 Y N 4.769 125.025 120.300 -0.073 0.000 2.331 279 Y HA 0.476 5.026 4.550 -0.000 0.000 0.334 279 Y C -0.280 175.566 175.900 -0.091 0.000 0.960 279 Y CA -0.624 57.422 58.100 -0.091 0.000 1.130 279 Y CB 1.612 40.024 38.460 -0.079 0.000 1.164 279 Y HN 0.320 nan 8.280 nan 0.000 0.458 280 L N 3.785 124.983 121.223 -0.040 0.000 2.329 280 L HA 0.797 5.137 4.340 -0.000 0.000 0.279 280 L C -0.554 176.298 176.870 -0.030 0.000 1.014 280 L CA -0.622 54.131 54.840 -0.145 0.000 0.814 280 L CB 1.796 43.471 42.059 -0.641 0.000 1.257 280 L HN 0.616 nan 8.230 nan 0.000 0.424 281 S N 1.537 117.337 115.700 0.167 0.000 2.536 281 S HA 0.814 5.284 4.470 -0.000 0.000 0.271 281 S C -0.757 174.217 174.600 0.623 0.000 1.134 281 S CA -0.887 57.492 58.200 0.298 0.000 0.897 281 S CB 1.981 65.248 63.200 0.111 0.000 1.094 281 S HN 0.934 nan 8.310 nan 0.000 0.473 282 C N -0.251 119.483 119.300 0.723 0.000 3.176 282 C HA 0.887 5.347 4.460 -0.000 0.000 0.343 282 C C -1.614 173.511 174.990 0.224 0.000 1.332 282 C CA -0.699 58.702 59.018 0.639 0.000 1.200 282 C CB 0.389 28.523 27.740 0.658 0.000 1.440 282 C HN 1.435 nan 8.230 nan 0.000 0.458 283 V N -1.309 118.637 119.914 0.053 0.000 2.851 283 V HA 0.773 4.893 4.120 -0.000 0.000 0.307 283 V C -1.466 174.678 176.094 0.083 0.000 1.129 283 V CA -0.187 62.063 62.300 -0.083 0.000 0.932 283 V CB 2.097 33.719 31.823 -0.335 0.000 1.024 283 V HN 0.969 nan 8.190 nan 0.000 0.426 284 D N 3.884 124.318 120.400 0.056 0.000 2.621 284 D HA 0.390 5.030 4.640 -0.000 0.000 0.274 284 D C -0.629 175.674 176.300 0.006 0.000 1.215 284 D CA -0.089 54.013 54.000 0.170 0.000 0.810 284 D CB 1.809 42.777 40.800 0.281 0.000 1.248 284 D HN 0.480 nan 8.370 nan 0.000 0.517 285 I N 1.391 121.866 120.570 -0.157 0.000 2.496 285 I HA 0.056 4.226 4.170 -0.000 0.000 0.285 285 I C 1.732 177.746 176.117 -0.170 0.000 1.080 285 I CA 0.068 61.265 61.300 -0.171 0.000 1.404 285 I CB 0.842 38.755 38.000 -0.146 0.000 1.403 285 I HN 0.127 nan 8.210 nan 0.000 0.539 286 M N 3.244 122.793 119.600 -0.084 0.000 2.615 286 M HA 0.392 4.872 4.480 -0.000 0.000 0.262 286 M C 0.837 177.049 176.300 -0.147 0.000 1.198 286 M CA 0.335 55.600 55.300 -0.059 0.000 1.165 286 M CB -0.470 32.111 32.600 -0.032 0.000 1.310 286 M HN 0.815 nan 8.290 nan 0.000 0.494 287 G N -0.257 108.436 108.800 -0.179 0.000 2.359 287 G HA2 0.053 4.013 3.960 -0.000 0.000 0.303 287 G HA3 0.053 4.013 3.960 -0.000 0.000 0.303 287 G C -2.104 172.627 174.900 -0.282 0.000 1.293 287 G CA -1.133 43.663 45.100 -0.508 0.000 0.964 287 G HN 0.305 nan 8.290 nan 0.000 0.531 288 W N 0.450 121.817 121.300 0.111 0.000 2.272 288 W HA 0.723 5.383 4.660 -0.000 0.000 0.318 288 W C 0.860 177.515 176.519 0.226 0.000 1.255 288 W CA -0.853 56.588 57.345 0.160 0.000 1.200 288 W CB 0.676 30.092 29.460 -0.073 0.000 1.170 288 W HN 0.619 nan 8.180 nan 0.000 0.549 289 R N 2.194 122.969 120.500 0.458 0.000 2.404 289 R HA 0.602 4.942 4.340 -0.000 0.000 0.291 289 R C -1.330 175.042 176.300 0.120 0.000 1.025 289 R CA -0.591 55.678 56.100 0.281 0.000 0.991 289 R CB 1.058 31.544 30.300 0.310 0.000 1.053 289 R HN 0.540 nan 8.270 nan 0.000 0.479 290 V N 2.352 122.289 119.914 0.038 0.000 2.407 290 V HA 0.277 4.397 4.120 -0.000 0.000 0.291 290 V C 0.463 176.485 176.094 -0.119 0.000 1.018 290 V CA -1.047 61.194 62.300 -0.099 0.000 0.842 290 V CB 1.076 32.803 31.823 -0.159 0.000 0.996 290 V HN 0.996 nan 8.190 nan 0.000 0.426 291 T N 1.291 115.740 114.554 -0.176 0.000 2.701 291 T HA 0.221 4.571 4.350 -0.000 0.000 0.303 291 T C 0.951 175.612 174.700 -0.065 0.000 1.030 291 T CA -0.181 61.864 62.100 -0.092 0.000 1.010 291 T CB 1.394 70.216 68.868 -0.078 0.000 1.007 291 T HN 0.720 nan 8.240 nan 0.000 0.532 292 R N 0.446 120.888 120.500 -0.096 0.000 2.146 292 R HA 0.010 4.350 4.340 -0.000 0.000 0.206 292 R C 2.057 178.212 176.300 -0.242 0.000 1.049 292 R CA 0.598 56.588 56.100 -0.185 0.000 1.029 292 R CB -0.826 29.210 30.300 -0.441 0.000 0.949 292 R HN 0.837 nan 8.270 nan 0.000 0.471 293 N N -0.509 118.050 118.700 -0.235 0.000 2.096 293 N HA -0.215 4.525 4.740 -0.000 0.000 0.195 293 N C -0.408 174.889 175.510 -0.355 0.000 1.017 293 N CA 1.384 54.275 53.050 -0.264 0.000 0.870 293 N CB 0.180 38.583 38.487 -0.139 0.000 1.024 293 N HN 0.107 nan 8.380 nan 0.000 0.434 294 Y N -1.184 119.052 120.300 -0.107 0.000 2.952 294 Y HA 0.155 4.705 4.550 -0.000 0.000 0.346 294 Y C -1.251 174.568 175.900 -0.135 0.000 1.388 294 Y CA -1.243 56.795 58.100 -0.103 0.000 1.097 294 Y CB 0.226 38.639 38.460 -0.078 0.000 1.732 294 Y HN -0.187 nan 8.280 nan 0.000 0.431 295 D N 0.940 121.430 120.400 0.150 0.000 2.713 295 D HA 0.333 4.973 4.640 -0.000 0.000 0.229 295 D C -0.623 175.612 176.300 -0.107 0.000 1.136 295 D CA 0.337 54.265 54.000 -0.121 0.000 1.010 295 D CB -0.015 40.675 40.800 -0.184 0.000 1.084 295 D HN 0.145 nan 8.370 nan 0.000 0.495 296 V N 1.362 121.252 119.914 -0.040 0.000 2.162 296 V HA 0.029 4.149 4.120 -0.000 0.000 0.255 296 V C 0.925 177.005 176.094 -0.023 0.000 1.304 296 V CA -0.445 61.873 62.300 0.030 0.000 1.198 296 V CB -0.615 31.276 31.823 0.113 0.000 1.333 296 V HN 0.493 nan 8.190 nan 0.000 0.493 297 H N 2.773 121.788 119.070 -0.092 0.000 4.196 297 H HA 0.001 4.557 4.556 -0.000 0.000 0.236 297 H C 0.970 176.319 175.328 0.035 0.000 1.023 297 H CA -0.423 55.553 56.048 -0.120 0.000 1.251 297 H CB -0.418 29.148 29.762 -0.328 0.000 1.343 297 H HN 0.912 nan 8.280 nan 0.000 0.815 298 H N -1.638 117.591 119.070 0.265 0.000 2.764 298 H HA 0.047 4.603 4.556 -0.000 0.000 0.341 298 H C -0.169 175.564 175.328 0.676 0.000 1.072 298 H CA -0.862 55.435 56.048 0.415 0.000 1.444 298 H CB 0.040 29.949 29.762 0.245 0.000 1.458 298 H HN 0.457 nan 8.280 nan 0.000 0.572 299 W N 3.085 124.751 121.300 0.610 0.000 2.448 299 W HA 0.571 5.231 4.660 -0.000 0.000 0.339 299 W C -0.363 176.415 176.519 0.433 0.000 1.124 299 W CA -1.636 56.017 57.345 0.514 0.000 1.262 299 W CB 0.932 30.619 29.460 0.379 0.000 1.251 299 W HN 0.659 nan 8.180 nan 0.000 0.597 300 R N 1.799 122.552 120.500 0.422 0.000 2.668 300 R HA 0.766 5.106 4.340 -0.000 0.000 0.279 300 R C -0.378 175.803 176.300 -0.199 0.000 0.976 300 R CA -0.494 55.510 56.100 -0.160 0.000 0.978 300 R CB 1.648 31.718 30.300 -0.382 0.000 1.133 300 R HN 0.880 nan 8.270 nan 0.000 0.484 301 G N 2.114 110.719 108.800 -0.324 0.000 2.672 301 G HA2 0.593 4.553 3.960 -0.000 0.000 0.292 301 G HA3 0.593 4.553 3.960 -0.000 0.000 0.292 301 G C -1.700 173.064 174.900 -0.226 0.000 1.375 301 G CA -0.743 44.227 45.100 -0.216 0.000 0.890 301 G HN 0.451 nan 8.290 nan 0.000 0.476 302 L N 0.894 122.046 121.223 -0.118 0.000 2.309 302 L HA 0.605 4.945 4.340 -0.000 0.000 0.261 302 L C -2.049 174.798 176.870 -0.038 0.000 1.021 302 L CA -2.155 52.622 54.840 -0.104 0.000 0.823 302 L CB 3.313 45.325 42.059 -0.078 0.000 1.366 302 L HN 0.351 nan 8.230 nan 0.000 0.423 303 P HA 0.232 nan 4.420 nan 0.000 0.276 303 P C -1.530 175.833 177.300 0.105 0.000 1.252 303 P CA -0.602 62.536 63.100 0.063 0.000 0.802 303 P CB 1.436 33.153 31.700 0.027 0.000 1.035 304 R N 1.366 122.003 120.500 0.229 0.000 2.575 304 R HA 0.326 4.666 4.340 -0.000 0.000 0.293 304 R C -1.093 175.431 176.300 0.372 0.000 0.983 304 R CA -0.810 55.412 56.100 0.203 0.000 0.887 304 R CB 1.178 31.586 30.300 0.181 0.000 1.184 304 R HN 0.512 nan 8.270 nan 0.000 0.445 305 Y N 3.927 124.227 120.300 0.000 0.000 2.298 305 Y HA 0.456 5.006 4.550 -0.000 0.000 0.329 305 Y C -1.376 174.426 175.900 -0.162 0.000 1.293 305 Y CA 0.125 58.278 58.100 0.088 0.000 1.388 305 Y CB 0.784 39.225 38.460 -0.031 0.000 1.309 305 Y HN 0.507 nan 8.280 nan 0.000 0.544 306 F N 3.491 123.104 119.950 -0.560 0.000 2.588 306 F HA 0.359 4.886 4.527 -0.000 0.000 0.314 306 F C -0.783 174.598 175.800 -0.699 0.000 1.134 306 F CA -1.113 56.627 58.000 -0.434 0.000 0.961 306 F CB 1.929 40.789 39.000 -0.235 0.000 1.239 306 F HN 0.337 nan 8.300 nan 0.000 0.448 307 K N 4.708 125.004 120.400 -0.174 0.000 2.626 307 K HA 0.562 4.882 4.320 -0.000 0.000 0.223 307 K C -1.623 174.982 176.600 0.008 0.000 0.992 307 K CA -0.481 55.742 56.287 -0.105 0.000 1.024 307 K CB 0.600 33.155 32.500 0.092 0.000 1.225 307 K HN 0.521 nan 8.250 nan 0.000 0.498 308 I N 2.755 123.321 120.570 -0.007 0.000 2.365 308 I HA 0.170 4.340 4.170 -0.000 0.000 0.291 308 I C 0.119 176.227 176.117 -0.016 0.000 1.004 308 I CA -0.157 61.152 61.300 0.015 0.000 1.311 308 I CB 1.715 39.718 38.000 0.005 0.000 1.401 308 I HN 0.383 nan 8.210 nan 0.000 0.491 309 T N 6.864 121.426 114.554 0.013 0.000 2.788 309 T HA 0.780 5.130 4.350 -0.000 0.000 0.296 309 T C -0.520 174.192 174.700 0.020 0.000 1.009 309 T CA -0.692 61.413 62.100 0.010 0.000 0.949 309 T CB 0.369 69.257 68.868 0.032 0.000 0.946 309 T HN 0.256 nan 8.240 nan 0.000 0.453 310 L N 1.303 122.524 121.223 -0.003 0.000 2.401 310 L HA 0.813 5.153 4.340 -0.000 0.000 0.266 310 L C -0.052 176.897 176.870 0.132 0.000 0.991 310 L CA -1.356 53.514 54.840 0.051 0.000 0.818 310 L CB 1.521 43.589 42.059 0.015 0.000 1.321 310 L HN 0.681 nan 8.230 nan 0.000 0.413 311 R N 0.199 120.820 120.500 0.202 0.000 2.943 311 R HA 0.732 5.072 4.340 -0.000 0.000 0.246 311 R C -0.999 175.448 176.300 0.246 0.000 1.201 311 R CA -1.014 55.221 56.100 0.225 0.000 1.056 311 R CB 1.261 31.632 30.300 0.118 0.000 1.243 311 R HN 0.503 nan 8.270 nan 0.000 0.498 312 K N 1.299 121.741 120.400 0.069 0.000 2.264 312 K HA 0.243 4.563 4.320 -0.000 0.000 0.277 312 K C -0.496 175.984 176.600 -0.199 0.000 1.067 312 K CA -0.471 55.703 56.287 -0.188 0.000 0.900 312 K CB 1.436 33.748 32.500 -0.313 0.000 1.124 312 K HN 0.366 nan 8.250 nan 0.000 0.469 313 R N 3.062 123.434 120.500 -0.213 0.000 2.494 313 R HA 0.217 4.557 4.340 -0.000 0.000 0.305 313 R C -1.141 175.036 176.300 -0.206 0.000 0.959 313 R CA -0.660 55.358 56.100 -0.137 0.000 0.864 313 R CB 0.912 31.207 30.300 -0.009 0.000 1.159 313 R HN 0.583 nan 8.270 nan 0.000 0.446 314 W N 5.019 126.293 121.300 -0.044 0.000 2.304 314 W HA 0.243 4.903 4.660 0.000 0.000 0.313 314 W C 0.217 176.712 176.519 -0.040 0.000 1.323 314 W CA -0.282 57.034 57.345 -0.049 0.000 1.223 314 W CB 1.234 30.669 29.460 -0.040 0.000 1.237 314 W HN 0.272 nan 8.180 nan 0.000 0.535 315 V N 2.465 122.574 119.914 0.325 0.000 3.007 315 V HA 0.521 4.641 4.120 -0.000 0.000 0.311 315 V C -0.438 175.738 176.094 0.136 0.000 1.120 315 V CA -1.670 60.725 62.300 0.158 0.000 0.980 315 V CB 1.883 33.742 31.823 0.060 0.000 1.033 315 V HN 0.261 nan 8.190 nan 0.000 0.429 316 K N 3.233 123.667 120.400 0.056 0.000 2.416 316 K HA 0.205 4.525 4.320 -0.000 0.000 0.283 316 K C 0.054 176.641 176.600 -0.021 0.000 1.037 316 K CA 0.495 56.790 56.287 0.013 0.000 0.995 316 K CB 0.202 32.692 32.500 -0.016 0.000 0.938 316 K HN 1.047 nan 8.250 nan 0.000 0.475 317 N N 5.597 124.285 118.700 -0.020 0.000 2.454 317 N HA 0.007 4.747 4.740 -0.000 0.000 0.254 317 N C -1.585 173.827 175.510 -0.163 0.000 1.228 317 N CA -0.783 52.226 53.050 -0.067 0.000 0.900 317 N CB 0.706 39.176 38.487 -0.030 0.000 1.089 317 N HN 0.334 nan 8.380 nan 0.000 0.449 318 P HA -0.061 nan 4.420 nan 0.000 0.206 318 P C -0.388 176.574 177.300 -0.562 0.000 1.212 318 P CA 1.060 63.785 63.100 -0.625 0.000 0.919 318 P CB -0.178 30.770 31.700 -1.254 0.000 0.755 319 Y N 0.635 120.940 120.300 0.009 0.000 2.402 319 Y HA 0.339 4.889 4.550 -0.000 0.000 0.333 319 Y C -1.850 174.055 175.900 0.009 0.000 1.076 319 Y CA -3.342 54.762 58.100 0.006 0.000 1.299 319 Y CB -1.622 36.840 38.460 0.002 0.000 1.197 319 Y HN 0.080 nan 8.280 nan 0.000 0.517 320 P HA -0.066 nan 4.420 nan 0.000 0.262 320 P C 0.724 178.069 177.300 0.074 0.000 1.182 320 P CA -0.012 63.131 63.100 0.071 0.000 0.761 320 P CB 0.604 32.342 31.700 0.063 0.000 0.795 321 M N 3.672 123.305 119.600 0.055 0.000 2.226 321 M HA -0.283 4.197 4.480 -0.000 0.000 0.257 321 M C 2.058 178.393 176.300 0.059 0.000 1.070 321 M CA 2.432 57.764 55.300 0.055 0.000 1.087 321 M CB -2.269 30.359 32.600 0.046 0.000 1.278 321 M HN 0.515 nan 8.290 nan 0.000 0.426 322 A N -0.453 122.401 122.820 0.058 0.000 1.893 322 A HA -0.335 3.985 4.320 -0.000 0.000 0.222 322 A C 2.400 180.022 177.584 0.063 0.000 1.309 322 A CA 3.572 55.647 52.037 0.064 0.000 0.681 322 A CB -1.634 17.398 19.000 0.052 0.000 0.842 322 A HN 0.582 nan 8.150 nan 0.000 0.468 323 S N -0.875 114.858 115.700 0.055 0.000 2.414 323 S HA -0.235 4.235 4.470 -0.000 0.000 0.238 323 S C 1.914 176.534 174.600 0.032 0.000 1.055 323 S CA 2.070 60.297 58.200 0.045 0.000 1.174 323 S CB -0.536 62.697 63.200 0.055 0.000 1.087 323 S HN 0.391 nan 8.310 nan 0.000 0.428 324 L N 1.884 123.128 121.223 0.034 0.000 1.970 324 L HA -0.097 4.243 4.340 -0.000 0.000 0.212 324 L C 2.520 179.379 176.870 -0.019 0.000 1.071 324 L CA 1.593 56.435 54.840 0.005 0.000 0.751 324 L CB -2.050 40.020 42.059 0.019 0.000 0.889 324 L HN 0.374 nan 8.230 nan 0.000 0.432 325 I N 0.362 120.944 120.570 0.020 0.000 2.044 325 I HA -0.319 3.851 4.170 -0.000 0.000 0.234 325 I C 2.418 178.581 176.117 0.078 0.000 1.031 325 I CA 1.828 63.158 61.300 0.050 0.000 1.305 325 I CB -1.485 36.601 38.000 0.143 0.000 1.026 325 I HN 0.243 nan 8.210 nan 0.000 0.392 326 S N 0.737 116.540 115.700 0.172 0.000 2.555 326 S HA -0.059 4.411 4.470 -0.000 0.000 0.230 326 S C 1.970 176.635 174.600 0.107 0.000 0.978 326 S CA 0.936 59.265 58.200 0.216 0.000 0.934 326 S CB -0.270 63.028 63.200 0.164 0.000 0.766 326 S HN 0.637 nan 8.310 nan 0.000 0.533 327 S N 1.699 117.420 115.700 0.034 0.000 2.395 327 S HA 0.087 4.557 4.470 -0.000 0.000 0.225 327 S C 1.718 176.303 174.600 -0.026 0.000 1.027 327 S CA 0.279 58.482 58.200 0.005 0.000 0.965 327 S CB -0.356 62.835 63.200 -0.015 0.000 0.812 327 S HN 0.252 nan 8.310 nan 0.000 0.482 328 L N 0.722 121.888 121.223 -0.095 0.000 1.973 328 L HA 0.125 4.465 4.340 -0.000 0.000 0.208 328 L C 2.324 179.103 176.870 -0.153 0.000 1.073 328 L CA 1.735 56.458 54.840 -0.195 0.000 0.746 328 L CB -1.813 40.026 42.059 -0.366 0.000 0.891 328 L HN 0.278 nan 8.230 nan 0.000 0.433 329 F N 0.641 120.592 119.950 0.002 0.000 2.481 329 F HA -0.188 4.339 4.527 -0.000 0.000 0.297 329 F C 1.859 177.660 175.800 0.000 0.000 1.095 329 F CA 0.748 58.749 58.000 0.001 0.000 1.465 329 F CB -0.933 38.068 39.000 0.002 0.000 1.098 329 F HN 0.315 nan 8.300 nan 0.000 0.585 330 N N -1.397 117.387 118.700 0.141 0.000 2.322 330 N HA -0.005 4.735 4.740 -0.000 0.000 0.181 330 N C 1.337 176.876 175.510 0.048 0.000 1.088 330 N CA 0.243 53.345 53.050 0.086 0.000 0.885 330 N CB -0.174 38.351 38.487 0.064 0.000 1.013 330 N HN 0.124 nan 8.380 nan 0.000 0.472 331 N N -0.125 118.591 118.700 0.027 0.000 2.412 331 N HA 0.069 4.809 4.740 -0.000 0.000 0.184 331 N C 0.638 176.153 175.510 0.010 0.000 1.101 331 N CA 0.393 53.445 53.050 0.004 0.000 0.881 331 N CB 0.279 38.752 38.487 -0.024 0.000 0.969 331 N HN 0.139 nan 8.380 nan 0.000 0.459 332 M N 0.511 120.132 119.600 0.035 0.000 2.287 332 M HA 0.124 4.604 4.480 -0.000 0.000 0.266 332 M C 0.758 177.088 176.300 0.050 0.000 1.079 332 M CA 0.430 55.760 55.300 0.051 0.000 1.146 332 M CB -0.207 32.464 32.600 0.118 0.000 1.374 332 M HN -0.048 nan 8.290 nan 0.000 0.435 333 L N 1.381 122.637 121.223 0.054 0.000 2.499 333 L HA 0.059 4.399 4.340 -0.000 0.000 0.281 333 L C -1.778 175.107 176.870 0.025 0.000 1.234 333 L CA -1.435 53.429 54.840 0.040 0.000 0.839 333 L CB -0.566 41.517 42.059 0.040 0.000 1.104 333 L HN -0.019 nan 8.230 nan 0.000 0.500 334 P HA -0.043 nan 4.420 nan 0.000 0.264 334 P C -0.708 176.599 177.300 0.012 0.000 1.183 334 P CA 0.009 63.118 63.100 0.014 0.000 0.763 334 P CB 0.299 32.007 31.700 0.013 0.000 0.807 335 Q N 1.998 121.804 119.800 0.009 0.000 2.295 335 Q HA 0.301 4.641 4.340 -0.000 0.000 0.259 335 Q C -0.565 175.439 176.000 0.006 0.000 0.976 335 Q CA -0.099 55.708 55.803 0.007 0.000 0.923 335 Q CB 0.823 29.563 28.738 0.004 0.000 1.185 335 Q HN 0.223 nan 8.270 nan 0.000 0.410 336 V N 1.320 121.238 119.914 0.006 0.000 2.482 336 V HA 0.418 4.538 4.120 -0.000 0.000 0.295 336 V C -0.321 175.775 176.094 0.005 0.000 1.026 336 V CA -1.085 61.218 62.300 0.005 0.000 0.856 336 V CB 1.828 33.654 31.823 0.006 0.000 1.001 336 V HN 0.605 nan 8.190 nan 0.000 0.424 337 Q N 2.755 122.558 119.800 0.004 0.000 2.290 337 Q HA 0.766 5.106 4.340 -0.000 0.000 0.259 337 Q C -0.269 175.733 176.000 0.003 0.000 0.941 337 Q CA 0.171 55.976 55.803 0.003 0.000 0.912 337 Q CB 1.920 30.660 28.738 0.002 0.000 1.244 337 Q HN 1.129 nan 8.270 nan 0.000 0.441 338 G N 2.544 111.346 108.800 0.004 0.000 2.749 338 G HA2 0.199 4.159 3.960 -0.000 0.000 0.300 338 G HA3 0.199 4.159 3.960 -0.000 0.000 0.300 338 G C -1.295 173.608 174.900 0.004 0.000 1.352 338 G CA -0.703 44.399 45.100 0.004 0.000 0.789 338 G HN 0.626 nan 8.290 nan 0.000 0.509 339 Q N 0.690 120.492 119.800 0.004 0.000 2.369 339 Q HA 0.174 4.514 4.340 -0.000 0.000 0.295 339 Q C -1.753 174.249 176.000 0.005 0.000 1.075 339 Q CA -0.726 55.080 55.803 0.004 0.000 0.941 339 Q CB 0.592 29.332 28.738 0.004 0.000 1.260 339 Q HN 0.299 nan 8.270 nan 0.000 0.417 340 P HA 0.010 nan 4.420 nan 0.000 0.274 340 P C -0.844 176.459 177.300 0.006 0.000 1.291 340 P CA 0.191 63.294 63.100 0.005 0.000 0.815 340 P CB 0.505 32.208 31.700 0.005 0.000 0.897 341 M N 2.146 121.750 119.600 0.006 0.000 2.869 341 M HA 0.337 4.817 4.480 -0.000 0.000 0.353 341 M C 0.346 176.651 176.300 0.008 0.000 1.224 341 M CA -0.086 55.218 55.300 0.007 0.000 0.917 341 M CB -0.092 32.513 32.600 0.008 0.000 1.322 341 M HN 0.438 nan 8.290 nan 0.000 0.516 342 E N -1.252 118.953 120.200 0.007 0.000 2.233 342 E HA 0.600 4.950 4.350 -0.000 0.000 0.223 342 E C 0.501 177.105 176.600 0.006 0.000 1.048 342 E CA -0.131 56.273 56.400 0.007 0.000 0.883 342 E CB 1.362 31.065 29.700 0.005 0.000 1.925 342 E HN 0.265 nan 8.360 nan 0.000 0.460 343 G N 1.226 110.029 108.800 0.005 0.000 2.684 343 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.332 343 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.332 343 G C 0.602 175.505 174.900 0.005 0.000 1.306 343 G CA 1.167 46.269 45.100 0.005 0.000 1.002 343 G HN 0.597 nan 8.290 nan 0.000 0.545 344 E N 0.870 121.073 120.200 0.004 0.000 2.460 344 E HA 0.120 4.470 4.350 -0.000 0.000 0.200 344 E C 0.681 177.284 176.600 0.005 0.000 1.011 344 E CA 0.411 56.814 56.400 0.004 0.000 0.912 344 E CB 0.091 29.793 29.700 0.003 0.000 0.953 344 E HN 0.508 nan 8.360 nan 0.000 0.494 345 N N 0.156 118.859 118.700 0.005 0.000 2.610 345 N HA 0.088 4.828 4.740 -0.000 0.000 0.307 345 N C -1.415 174.099 175.510 0.006 0.000 1.813 345 N CA -0.182 52.871 53.050 0.005 0.000 0.901 345 N CB 1.582 40.072 38.487 0.005 0.000 1.354 345 N HN -0.150 nan 8.380 nan 0.000 0.491 346 T N 0.703 115.261 114.554 0.008 0.000 2.908 346 T HA -0.040 4.310 4.350 -0.000 0.000 0.301 346 T C 1.217 175.922 174.700 0.009 0.000 1.019 346 T CA 0.139 62.244 62.100 0.009 0.000 1.152 346 T CB 0.880 69.754 68.868 0.010 0.000 0.966 346 T HN 0.273 nan 8.240 nan 0.000 0.540 347 Q N 0.914 120.719 119.800 0.008 0.000 2.373 347 Q HA 0.116 4.456 4.340 -0.000 0.000 0.206 347 Q C 0.458 176.464 176.000 0.010 0.000 0.942 347 Q CA -0.003 55.806 55.803 0.009 0.000 0.953 347 Q CB 0.168 28.910 28.738 0.007 0.000 1.022 347 Q HN 0.469 nan 8.270 nan 0.000 0.502 348 V N 1.217 121.138 119.914 0.011 0.000 2.383 348 V HA 0.055 4.175 4.120 -0.000 0.000 0.275 348 V C 0.714 176.817 176.094 0.015 0.000 1.036 348 V CA 0.112 62.420 62.300 0.013 0.000 0.889 348 V CB 1.389 33.220 31.823 0.014 0.000 0.985 348 V HN 0.204 nan 8.190 nan 0.000 0.459 349 E N 4.103 124.313 120.200 0.016 0.000 2.400 349 E HA 0.170 4.520 4.350 -0.000 0.000 0.195 349 E C 0.168 176.781 176.600 0.022 0.000 1.012 349 E CA 0.239 56.650 56.400 0.018 0.000 0.875 349 E CB 0.666 30.376 29.700 0.017 0.000 0.859 349 E HN 0.814 nan 8.360 nan 0.000 0.498 350 E N -0.678 119.535 120.200 0.023 0.000 2.419 350 E HA 0.295 4.645 4.350 -0.000 0.000 0.285 350 E C -2.151 174.465 176.600 0.027 0.000 1.079 350 E CA -0.566 55.849 56.400 0.026 0.000 0.864 350 E CB 1.849 31.566 29.700 0.029 0.000 1.216 350 E HN -0.088 nan 8.360 nan 0.000 0.428 351 V N 3.473 123.401 119.914 0.024 0.000 2.891 351 V HA 0.786 4.906 4.120 -0.000 0.000 0.304 351 V C -1.483 174.616 176.094 0.009 0.000 1.171 351 V CA -0.324 61.989 62.300 0.023 0.000 0.943 351 V CB 1.844 33.675 31.823 0.014 0.000 1.037 351 V HN 0.798 nan 8.190 nan 0.000 0.427 352 R N 3.040 123.561 120.500 0.036 0.000 2.930 352 R HA 0.968 5.308 4.340 -0.000 0.000 0.257 352 R C -1.477 174.852 176.300 0.047 0.000 1.107 352 R CA -0.543 55.553 56.100 -0.007 0.000 0.999 352 R CB 2.542 32.866 30.300 0.040 0.000 1.209 352 R HN 0.767 nan 8.270 nan 0.000 0.486 353 V N -0.897 118.985 119.914 -0.054 0.000 2.969 353 V HA 0.606 4.726 4.120 -0.000 0.000 0.304 353 V C -1.703 174.408 176.094 0.029 0.000 1.192 353 V CA -1.119 61.233 62.300 0.087 0.000 0.962 353 V CB 1.611 33.427 31.823 -0.012 0.000 1.045 353 V HN 0.622 nan 8.190 nan 0.000 0.428 354 Y N 1.079 121.368 120.300 -0.019 0.000 2.588 354 Y HA 0.806 5.356 4.550 -0.000 0.000 0.343 354 Y C 0.343 176.236 175.900 -0.011 0.000 1.065 354 Y CA -1.133 56.959 58.100 -0.013 0.000 1.038 354 Y CB 2.257 40.712 38.460 -0.008 0.000 1.297 354 Y HN 0.746 nan 8.280 nan 0.000 0.467 355 D N -0.623 119.876 120.400 0.165 0.000 2.135 355 D HA 0.180 4.820 4.640 -0.000 0.000 0.318 355 D C 0.971 177.315 176.300 0.073 0.000 1.109 355 D CA 0.779 54.831 54.000 0.088 0.000 0.952 355 D CB 0.426 41.257 40.800 0.051 0.000 1.816 355 D HN 0.767 nan 8.370 nan 0.000 0.528 356 G N -0.650 108.197 108.800 0.078 0.000 2.516 356 G HA2 0.464 4.424 3.960 -0.000 0.000 0.276 356 G HA3 0.464 4.424 3.960 -0.000 0.000 0.276 356 G C -0.352 174.591 174.900 0.073 0.000 1.390 356 G CA 0.394 45.530 45.100 0.061 0.000 1.050 356 G HN 0.233 nan 8.290 nan 0.000 0.519 357 T N -1.772 112.814 114.554 0.054 0.000 3.298 357 T HA 0.423 4.773 4.350 -0.000 0.000 0.318 357 T C -0.160 174.566 174.700 0.043 0.000 1.165 357 T CA -0.612 61.518 62.100 0.050 0.000 1.557 357 T CB 0.626 69.513 68.868 0.031 0.000 0.898 357 T HN 0.786 nan 8.240 nan 0.000 0.585 358 E N 2.719 122.950 120.200 0.052 0.000 2.369 358 E HA 0.530 4.880 4.350 -0.000 0.000 0.255 358 E C -2.102 174.520 176.600 0.037 0.000 1.172 358 E CA -1.664 54.760 56.400 0.040 0.000 0.932 358 E CB 0.250 29.974 29.700 0.040 0.000 1.040 358 E HN 0.358 nan 8.360 nan 0.000 0.454 359 P HA 0.091 nan 4.420 nan 0.000 0.279 359 P C -0.151 177.167 177.300 0.030 0.000 1.252 359 P CA -0.585 62.531 63.100 0.025 0.000 0.811 359 P CB 0.889 32.600 31.700 0.019 0.000 1.035 360 V N 2.951 122.882 119.914 0.028 0.000 2.960 360 V HA -0.118 4.002 4.120 -0.000 0.000 0.282 360 V C -0.858 175.255 176.094 0.031 0.000 1.420 360 V CA 0.200 62.518 62.300 0.031 0.000 1.448 360 V CB -0.934 30.903 31.823 0.023 0.000 0.886 360 V HN 0.774 nan 8.190 nan 0.000 0.522 361 P HA 0.479 nan 4.420 nan 0.000 0.348 361 P C 0.262 177.580 177.300 0.029 0.000 1.286 361 P CA 0.307 63.427 63.100 0.034 0.000 0.781 361 P CB 1.427 33.151 31.700 0.040 0.000 1.688 362 G N -1.026 107.791 108.800 0.029 0.000 2.930 362 G HA2 0.111 4.071 3.960 -0.000 0.000 0.209 362 G HA3 0.111 4.071 3.960 -0.000 0.000 0.209 362 G C -0.332 174.586 174.900 0.030 0.000 2.018 362 G CA 0.089 45.204 45.100 0.024 0.000 0.751 362 G HN 0.539 nan 8.290 nan 0.000 0.770 363 D N 2.366 122.786 120.400 0.033 0.000 2.854 363 D HA -0.005 4.635 4.640 -0.000 0.000 0.243 363 D C -0.581 175.744 176.300 0.041 0.000 1.243 363 D CA -0.920 53.103 54.000 0.039 0.000 0.883 363 D CB 1.250 42.080 40.800 0.050 0.000 1.145 363 D HN 0.053 nan 8.370 nan 0.000 0.555 364 P HA -0.098 nan 4.420 nan 0.000 0.220 364 P C 0.712 178.039 177.300 0.046 0.000 1.152 364 P CA 0.468 63.595 63.100 0.044 0.000 0.812 364 P CB 0.320 32.044 31.700 0.041 0.000 0.792 365 D N 0.269 120.694 120.400 0.041 0.000 2.346 365 D HA 0.027 4.667 4.640 -0.000 0.000 0.248 365 D C 1.030 177.353 176.300 0.038 0.000 1.173 365 D CA -0.231 53.792 54.000 0.039 0.000 0.878 365 D CB -0.984 39.838 40.800 0.035 0.000 0.919 365 D HN 0.247 nan 8.370 nan 0.000 0.513 366 M N -0.984 118.639 119.600 0.039 0.000 2.232 366 M HA 0.211 4.691 4.480 -0.000 0.000 0.321 366 M C -0.302 176.011 176.300 0.023 0.000 1.101 366 M CA 0.172 55.495 55.300 0.037 0.000 1.181 366 M CB 0.955 33.578 32.600 0.040 0.000 1.432 366 M HN -0.216 nan 8.290 nan 0.000 0.457 367 T N 0.734 115.301 114.554 0.023 0.000 2.841 367 T HA 0.844 5.194 4.350 -0.000 0.000 0.276 367 T C -0.908 173.801 174.700 0.016 0.000 1.003 367 T CA -0.933 61.178 62.100 0.020 0.000 0.995 367 T CB 1.376 70.266 68.868 0.037 0.000 1.260 367 T HN 0.772 nan 8.240 nan 0.000 0.581 368 R N -0.695 119.824 120.500 0.031 0.000 2.644 368 R HA 0.593 4.933 4.340 -0.000 0.000 0.257 368 R C -2.415 173.932 176.300 0.079 0.000 1.082 368 R CA -0.547 55.569 56.100 0.026 0.000 0.927 368 R CB 1.095 31.360 30.300 -0.057 0.000 1.258 368 R HN 0.758 nan 8.270 nan 0.000 0.459 369 Y N 1.148 121.429 120.300 -0.033 0.000 2.705 369 Y HA 0.727 5.277 4.550 -0.000 0.000 0.332 369 Y C -1.362 174.535 175.900 -0.005 0.000 1.221 369 Y CA -0.528 57.559 58.100 -0.022 0.000 1.059 369 Y CB 2.096 40.546 38.460 -0.017 0.000 1.298 369 Y HN 0.291 nan 8.280 nan 0.000 0.459 370 V N 1.848 121.915 119.914 0.254 0.000 2.760 370 V HA 0.388 4.508 4.120 -0.000 0.000 0.309 370 V C -1.028 175.256 176.094 0.318 0.000 1.077 370 V CA -0.677 61.737 62.300 0.190 0.000 0.910 370 V CB 1.676 33.526 31.823 0.046 0.000 1.008 370 V HN 0.875 nan 8.190 nan 0.000 0.424 371 D N 1.484 122.044 120.400 0.266 0.000 2.995 371 D HA 0.363 5.003 4.640 -0.000 0.000 0.208 371 D C 1.343 177.723 176.300 0.134 0.000 1.222 371 D CA -0.537 53.604 54.000 0.235 0.000 1.201 371 D CB 0.739 41.646 40.800 0.179 0.000 1.099 371 D HN 0.303 nan 8.370 nan 0.000 0.449 372 R N -0.354 120.148 120.500 0.003 0.000 2.377 372 R HA -0.001 4.339 4.340 -0.000 0.000 0.207 372 R C 0.018 175.810 176.300 -0.847 0.000 1.075 372 R CA 0.995 56.720 56.100 -0.626 0.000 1.035 372 R CB -0.154 29.548 30.300 -0.997 0.000 0.857 372 R HN 0.368 nan 8.270 nan 0.000 0.475 373 F N -3.709 116.259 119.950 0.029 0.000 1.759 373 F HA 0.260 4.787 4.527 -0.000 0.000 0.239 373 F C 0.951 176.764 175.800 0.022 0.000 1.234 373 F CA -0.570 57.443 58.000 0.022 0.000 1.313 373 F CB -0.568 38.442 39.000 0.016 0.000 1.912 373 F HN -0.182 nan 8.300 nan 0.000 0.254 374 G N 0.961 109.982 108.800 0.369 0.000 2.509 374 G HA2 0.539 4.499 3.960 -0.000 0.000 0.328 374 G HA3 0.539 4.499 3.960 -0.000 0.000 0.328 374 G C -1.378 173.604 174.900 0.136 0.000 1.194 374 G CA -0.717 44.482 45.100 0.165 0.000 0.967 374 G HN 0.272 nan 8.290 nan 0.000 0.488 375 K N -0.570 119.878 120.400 0.080 0.000 2.172 375 K HA 0.582 4.902 4.320 -0.000 0.000 0.276 375 K C -0.437 176.194 176.600 0.051 0.000 1.013 375 K CA -0.373 55.951 56.287 0.062 0.000 0.913 375 K CB 0.910 33.427 32.500 0.028 0.000 1.055 375 K HN 0.579 nan 8.250 nan 0.000 0.461 376 T N 0.604 115.195 114.554 0.062 0.000 2.912 376 T HA 0.281 4.631 4.350 -0.000 0.000 0.299 376 T C -0.642 174.084 174.700 0.042 0.000 1.052 376 T CA -1.087 61.042 62.100 0.048 0.000 0.996 376 T CB 1.262 70.160 68.868 0.050 0.000 1.070 376 T HN 0.534 nan 8.240 nan 0.000 0.465 377 K N 2.729 123.151 120.400 0.036 0.000 2.245 377 K HA 0.182 4.502 4.320 -0.000 0.000 0.281 377 K C 0.186 176.809 176.600 0.038 0.000 1.079 377 K CA -0.063 56.247 56.287 0.039 0.000 1.000 377 K CB -0.197 32.334 32.500 0.051 0.000 1.038 377 K HN 0.678 nan 8.250 nan 0.000 0.430 378 T N 1.909 116.482 114.554 0.032 0.000 2.923 378 T HA -0.088 4.262 4.350 -0.000 0.000 0.320 378 T C 0.463 175.143 174.700 -0.033 0.000 1.074 378 T CA -0.322 61.781 62.100 0.006 0.000 1.131 378 T CB 0.428 69.305 68.868 0.014 0.000 1.058 378 T HN 0.205 nan 8.240 nan 0.000 0.535 379 V N 4.591 124.427 119.914 -0.129 0.000 2.720 379 V HA -0.008 4.112 4.120 -0.000 0.000 0.307 379 V C 0.648 176.540 176.094 -0.337 0.000 1.071 379 V CA -0.075 62.018 62.300 -0.344 0.000 1.199 379 V CB -0.787 30.726 31.823 -0.517 0.000 0.900 379 V HN 0.704 nan 8.190 nan 0.000 0.494 380 F N 6.380 126.333 119.950 0.005 0.000 2.569 380 F HA 0.196 4.723 4.527 -0.000 0.000 0.395 380 F C -0.551 175.251 175.800 0.003 0.000 1.028 380 F CA -2.616 55.387 58.000 0.005 0.000 1.158 380 F CB -1.016 37.986 39.000 0.004 0.000 1.023 380 F HN 0.396 nan 8.300 nan 0.000 0.547 381 P HA -0.225 nan 4.420 nan 0.000 0.220 381 P C 0.978 178.261 177.300 -0.028 0.000 1.149 381 P CA 1.754 64.829 63.100 -0.043 0.000 0.829 381 P CB -0.273 31.439 31.700 0.019 0.000 0.772 382 G N 0.229 109.090 108.800 0.101 0.000 2.924 382 G HA2 0.040 4.000 3.960 -0.000 0.000 0.273 382 G HA3 0.040 4.000 3.960 -0.000 0.000 0.273 382 G C 0.061 175.048 174.900 0.145 0.000 0.734 382 G CA -0.306 44.903 45.100 0.182 0.000 2.065 382 G HN 0.272 nan 8.290 nan 0.000 0.580 383 N N 0.000 118.700 118.700 -0.001 0.000 1.763 383 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 383 N CA 0.000 53.036 53.050 -0.023 0.000 0.885 383 N CB 0.000 38.444 38.487 -0.072 0.000 1.341 383 N HN 0.000 nan 8.380 nan 0.000 0.667