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 3iwp_1_G DATA FIRST_RESID 24 DATA SEQUENCE NGFLMEVcVD SVESAVNAER GGADRIELcS GLSEGGTTPS MGVLQVVKQS DATA SEQUENCE VQIPVFVMIR PRGGDFLYSD REIEVMKADI RLAKLYGADG LVFGALTEDG DATA SEQUENCE HIDKELCMSL MAICRPLPVT FHRAFDMVHD PMAALETLLT LGFERVLTSG DATA SEQUENCE CDSSALEGLP LIKRLIEQAK GRIVVMPGGG ITDRNLQRIL EGSGATEFHC DATA SEQUENCE SARSTRDSGM KFRNSSXXXX XXXXXXXYSL KVTDVTKVRT LNAIAKNI 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 24 N HA 0.000 nan 4.740 nan 0.000 0.220 24 N C 0.000 175.331 175.510 -0.299 0.000 1.280 24 N CA 0.000 52.936 53.050 -0.189 0.000 0.885 24 N CB 0.000 38.445 38.487 -0.070 0.000 1.341 25 G N -1.203 107.395 108.800 -0.337 0.000 2.598 25 G HA2 0.074 4.034 3.960 -0.000 0.000 0.221 25 G HA3 0.074 4.034 3.960 -0.000 0.000 0.221 25 G C -1.172 173.566 174.900 -0.270 0.000 1.019 25 G CA -0.707 44.222 45.100 -0.286 0.000 0.912 25 G HN 0.383 nan 8.290 nan 0.000 0.574 26 F N 0.038 120.029 119.950 0.067 0.000 2.483 26 F HA 0.794 5.321 4.527 -0.000 0.000 0.329 26 F C 0.714 176.536 175.800 0.035 0.000 1.064 26 F CA -1.296 56.764 58.000 0.101 0.000 0.986 26 F CB 1.712 40.851 39.000 0.231 0.000 1.218 26 F HN -0.150 nan 8.300 nan 0.000 0.484 27 L N 2.491 123.822 121.223 0.180 0.000 2.330 27 L HA 0.512 4.852 4.340 -0.000 0.000 0.271 27 L C -0.611 176.015 176.870 -0.407 0.000 1.013 27 L CA -0.931 53.870 54.840 -0.066 0.000 0.816 27 L CB 1.895 43.908 42.059 -0.077 0.000 1.287 27 L HN 0.477 nan 8.230 nan 0.000 0.435 28 M N 3.088 122.463 119.600 -0.376 0.000 2.043 28 M HA 0.260 4.739 4.480 -0.000 0.000 0.322 28 M C -0.730 175.371 176.300 -0.332 0.000 0.962 28 M CA -0.146 54.836 55.300 -0.531 0.000 0.927 28 M CB 1.443 33.889 32.600 -0.255 0.000 1.466 28 M HN 0.535 nan 8.290 nan 0.000 0.412 29 E N 4.179 124.175 120.200 -0.340 0.000 2.073 29 E HA 0.485 4.834 4.350 -0.000 0.000 0.269 29 E C -1.421 175.199 176.600 0.033 0.000 0.917 29 E CA -0.447 55.865 56.400 -0.147 0.000 0.757 29 E CB 1.250 30.852 29.700 -0.163 0.000 1.111 29 E HN 0.419 nan 8.360 nan 0.000 0.410 30 V N 3.461 123.385 119.914 0.016 0.000 2.837 30 V HA 0.280 4.400 4.120 -0.000 0.000 0.310 30 V C 0.204 176.372 176.094 0.123 0.000 1.059 30 V CA -0.915 61.410 62.300 0.041 0.000 1.004 30 V CB 1.604 33.430 31.823 0.004 0.000 1.045 30 V HN 0.816 nan 8.190 nan 0.000 0.465 31 c N 2.939 121.617 118.600 0.131 0.000 2.358 31 c HA 0.811 5.381 4.570 -0.000 0.000 0.342 31 c C -0.015 174.116 174.090 0.069 0.000 1.234 31 c CA -0.192 56.222 56.329 0.142 0.000 1.969 31 c CB 0.835 43.455 42.510 0.183 0.000 2.346 31 c HN 0.690 nan 8.230 nan 0.000 0.525 32 V N 4.427 124.379 119.914 0.064 0.000 2.925 32 V HA 0.469 4.589 4.120 -0.000 0.000 0.311 32 V C -0.309 175.810 176.094 0.041 0.000 1.104 32 V CA -0.351 61.976 62.300 0.044 0.000 0.954 32 V CB 2.291 34.138 31.823 0.040 0.000 1.022 32 V HN 0.922 nan 8.190 nan 0.000 0.427 33 D N 0.549 120.967 120.400 0.030 0.000 2.482 33 D HA 0.106 4.746 4.640 -0.000 0.000 0.251 33 D C 0.776 177.087 176.300 0.018 0.000 1.073 33 D CA 0.327 54.341 54.000 0.024 0.000 0.892 33 D CB 1.029 41.840 40.800 0.019 0.000 1.202 33 D HN 0.421 nan 8.370 nan 0.000 0.496 34 S N 0.484 116.194 115.700 0.017 0.000 2.475 34 S HA 0.305 4.775 4.470 -0.000 0.000 0.298 34 S C 1.425 176.035 174.600 0.016 0.000 1.119 34 S CA -0.632 57.577 58.200 0.014 0.000 1.085 34 S CB 1.832 65.040 63.200 0.012 0.000 1.028 34 S HN -0.130 nan 8.310 nan 0.000 0.489 35 V N 4.613 124.535 119.914 0.013 0.000 2.380 35 V HA -0.175 3.945 4.120 -0.000 0.000 0.251 35 V C 2.533 178.636 176.094 0.016 0.000 1.063 35 V CA 2.427 64.736 62.300 0.015 0.000 1.055 35 V CB -0.827 31.003 31.823 0.011 0.000 0.657 35 V HN 0.986 nan 8.190 nan 0.000 0.455 36 E N 0.156 120.365 120.200 0.014 0.000 2.077 36 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 36 E C 2.253 178.863 176.600 0.016 0.000 0.989 36 E CA 1.532 57.941 56.400 0.014 0.000 0.800 36 E CB -0.084 29.624 29.700 0.013 0.000 0.746 36 E HN 0.611 nan 8.360 nan 0.000 0.452 37 S N -0.063 115.647 115.700 0.016 0.000 2.474 37 S HA -0.038 4.432 4.470 -0.000 0.000 0.235 37 S C 1.662 176.274 174.600 0.020 0.000 0.997 37 S CA 0.672 58.883 58.200 0.017 0.000 0.949 37 S CB 0.130 63.340 63.200 0.018 0.000 0.766 37 S HN 0.423 nan 8.310 nan 0.000 0.517 38 A N 0.785 123.618 122.820 0.022 0.000 1.911 38 A HA 0.134 4.454 4.320 -0.000 0.000 0.212 38 A C 2.210 179.807 177.584 0.022 0.000 1.189 38 A CA 0.668 52.721 52.037 0.025 0.000 0.639 38 A CB -0.550 18.467 19.000 0.029 0.000 0.839 38 A HN 0.322 nan 8.150 nan 0.000 0.449 39 V N 1.294 121.221 119.914 0.020 0.000 2.270 39 V HA -0.249 3.871 4.120 -0.000 0.000 0.245 39 V C 2.251 178.355 176.094 0.017 0.000 1.043 39 V CA 2.174 64.485 62.300 0.019 0.000 1.014 39 V CB -1.128 30.705 31.823 0.017 0.000 0.645 39 V HN 0.514 nan 8.190 nan 0.000 0.447 40 N N 0.896 119.606 118.700 0.017 0.000 2.094 40 N HA -0.171 4.569 4.740 -0.000 0.000 0.191 40 N C 1.831 177.351 175.510 0.017 0.000 1.023 40 N CA 1.802 54.862 53.050 0.016 0.000 0.857 40 N CB -0.683 37.813 38.487 0.015 0.000 1.013 40 N HN 0.512 nan 8.380 nan 0.000 0.426 41 A N 0.874 123.704 122.820 0.017 0.000 1.877 41 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 41 A C 2.194 179.787 177.584 0.015 0.000 1.186 41 A CA 1.807 53.853 52.037 0.015 0.000 0.620 41 A CB -0.693 18.316 19.000 0.015 0.000 0.822 41 A HN 0.480 nan 8.150 nan 0.000 0.443 42 E N -0.332 119.878 120.200 0.017 0.000 2.038 42 E HA -0.256 4.094 4.350 -0.000 0.000 0.195 42 E C 2.265 178.875 176.600 0.017 0.000 1.000 42 E CA 1.474 57.884 56.400 0.017 0.000 0.803 42 E CB -0.215 29.497 29.700 0.020 0.000 0.750 42 E HN 0.546 nan 8.360 nan 0.000 0.448 43 R N -0.503 120.008 120.500 0.017 0.000 2.152 43 R HA -0.078 4.262 4.340 -0.000 0.000 0.232 43 R C 2.242 178.553 176.300 0.019 0.000 1.117 43 R CA 1.282 57.392 56.100 0.017 0.000 0.981 43 R CB -0.321 29.988 30.300 0.016 0.000 0.870 43 R HN 0.329 nan 8.270 nan 0.000 0.451 44 G N -1.358 107.454 108.800 0.020 0.000 2.396 44 G HA2 0.006 3.966 3.960 -0.000 0.000 0.214 44 G HA3 0.006 3.966 3.960 -0.000 0.000 0.214 44 G C 0.889 175.805 174.900 0.028 0.000 1.166 44 G CA 0.790 45.904 45.100 0.023 0.000 0.793 44 G HN 0.521 nan 8.290 nan 0.000 0.533 45 G N -1.640 107.176 108.800 0.025 0.000 3.268 45 G HA2 0.345 4.305 3.960 -0.000 0.000 0.220 45 G HA3 0.345 4.305 3.960 -0.000 0.000 0.220 45 G C 0.283 175.193 174.900 0.018 0.000 0.942 45 G CA 0.182 45.299 45.100 0.029 0.000 0.918 45 G HN 1.002 nan 8.290 nan 0.000 0.658 46 A N 0.498 123.321 122.820 0.005 0.000 2.511 46 A HA 0.495 4.815 4.320 -0.000 0.000 0.242 46 A C 1.042 178.611 177.584 -0.025 0.000 1.069 46 A CA 0.905 52.929 52.037 -0.021 0.000 0.763 46 A CB 0.324 19.314 19.000 -0.017 0.000 1.001 46 A HN 0.158 nan 8.150 nan 0.000 0.498 47 D N 0.334 120.700 120.400 -0.057 0.000 2.327 47 D HA 0.066 4.706 4.640 -0.000 0.000 0.205 47 D C 0.581 176.851 176.300 -0.051 0.000 0.989 47 D CA 0.806 54.778 54.000 -0.047 0.000 0.873 47 D CB 0.334 41.099 40.800 -0.059 0.000 0.955 47 D HN 0.539 nan 8.370 nan 0.000 0.515 48 R N 1.305 121.758 120.500 -0.079 0.000 2.725 48 R HA 0.158 4.498 4.340 -0.000 0.000 0.276 48 R C -1.439 174.811 176.300 -0.083 0.000 1.189 48 R CA -0.372 55.677 56.100 -0.085 0.000 1.083 48 R CB 0.545 30.730 30.300 -0.191 0.000 1.262 48 R HN 0.005 nan 8.270 nan 0.000 0.415 49 I N 0.195 120.759 120.570 -0.009 0.000 2.440 49 I HA 0.510 4.680 4.170 -0.000 0.000 0.294 49 I C -0.091 176.057 176.117 0.052 0.000 0.995 49 I CA -0.597 60.714 61.300 0.018 0.000 1.306 49 I CB 1.589 39.612 38.000 0.039 0.000 1.407 49 I HN 0.571 nan 8.210 nan 0.000 0.501 50 E N 5.974 126.207 120.200 0.054 0.000 2.216 50 E HA 0.429 4.779 4.350 -0.000 0.000 0.279 50 E C -1.440 175.220 176.600 0.100 0.000 0.997 50 E CA -0.855 55.600 56.400 0.092 0.000 0.817 50 E CB 1.796 31.523 29.700 0.045 0.000 1.096 50 E HN 0.704 nan 8.360 nan 0.000 0.393 51 L N 5.051 126.340 121.223 0.111 0.000 2.257 51 L HA 0.356 4.696 4.340 -0.000 0.000 0.290 51 L C -1.098 175.818 176.870 0.078 0.000 1.044 51 L CA -0.697 54.194 54.840 0.085 0.000 0.810 51 L CB 0.673 42.779 42.059 0.077 0.000 1.193 51 L HN 0.692 nan 8.230 nan 0.000 0.425 52 c N 2.034 120.674 118.600 0.066 0.000 2.442 52 c HA 0.470 5.040 4.570 -0.000 0.000 0.335 52 c C 0.463 174.581 174.090 0.045 0.000 1.134 52 c CA -0.959 55.407 56.329 0.060 0.000 1.344 52 c CB 0.660 43.213 42.510 0.071 0.000 1.956 52 c HN 0.781 nan 8.230 nan 0.000 0.438 53 S N 1.670 117.393 115.700 0.039 0.000 2.713 53 S HA 0.682 5.152 4.470 -0.000 0.000 0.277 53 S C 1.157 175.773 174.600 0.027 0.000 1.168 53 S CA 0.985 59.201 58.200 0.028 0.000 0.994 53 S CB 0.754 63.967 63.200 0.022 0.000 1.054 53 S HN 2.330 nan 8.310 nan 0.000 0.555 54 G N 1.304 110.115 108.800 0.019 0.000 2.305 54 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.287 54 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.287 54 G C 0.730 175.641 174.900 0.019 0.000 1.036 54 G CA 0.493 45.602 45.100 0.016 0.000 0.887 54 G HN 0.767 nan 8.290 nan 0.000 0.505 55 L N -0.195 121.040 121.223 0.020 0.000 1.976 55 L HA -0.195 4.145 4.340 -0.000 0.000 0.223 55 L C 2.676 179.558 176.870 0.020 0.000 1.081 55 L CA 3.119 57.973 54.840 0.024 0.000 0.784 55 L CB -2.353 39.718 42.059 0.021 0.000 0.896 55 L HN 1.021 nan 8.230 nan 0.000 0.438 56 S N -1.144 114.564 115.700 0.013 0.000 2.603 56 S HA -0.088 4.382 4.470 -0.000 0.000 0.229 56 S C 1.526 176.131 174.600 0.008 0.000 0.972 56 S CA 0.860 59.065 58.200 0.009 0.000 0.935 56 S CB -0.445 62.758 63.200 0.004 0.000 0.769 56 S HN 0.668 nan 8.310 nan 0.000 0.536 57 E N -0.113 120.093 120.200 0.009 0.000 2.526 57 E HA 0.337 4.687 4.350 -0.000 0.000 0.208 57 E C 1.106 177.711 176.600 0.008 0.000 0.997 57 E CA 0.384 56.787 56.400 0.005 0.000 0.961 57 E CB 0.318 30.019 29.700 0.002 0.000 1.030 57 E HN 0.655 nan 8.360 nan 0.000 0.483 58 G N 0.016 108.827 108.800 0.018 0.000 2.296 58 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.188 58 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.188 58 G C 0.474 175.387 174.900 0.020 0.000 1.000 58 G CA -0.383 44.733 45.100 0.027 0.000 0.672 58 G HN 0.743 nan 8.290 nan 0.000 0.483 59 G N -0.638 108.175 108.800 0.022 0.000 3.380 59 G HA2 0.534 4.494 3.960 -0.000 0.000 0.685 59 G HA3 0.534 4.494 3.960 -0.000 0.000 0.685 59 G C -0.152 174.767 174.900 0.031 0.000 1.136 59 G CA 0.571 45.685 45.100 0.023 0.000 1.011 59 G HN 2.253 nan 8.290 nan 0.000 0.471 60 T N -0.770 113.808 114.554 0.040 0.000 2.924 60 T HA 0.770 5.120 4.350 -0.000 0.000 0.291 60 T C 0.612 175.343 174.700 0.052 0.000 1.045 60 T CA 0.064 62.195 62.100 0.052 0.000 1.015 60 T CB 2.011 70.904 68.868 0.041 0.000 1.103 60 T HN 1.773 nan 8.240 nan 0.000 0.496 61 T N 3.810 118.397 114.554 0.055 0.000 2.750 61 T HA 0.205 4.555 4.350 -0.000 0.000 0.277 61 T C -1.961 172.759 174.700 0.034 0.000 0.996 61 T CA -0.740 61.388 62.100 0.047 0.000 1.195 61 T CB -0.565 68.325 68.868 0.035 0.000 0.963 61 T HN 0.580 nan 8.240 nan 0.000 0.516 62 P HA 0.285 nan 4.420 nan 0.000 0.282 62 P C -0.596 176.710 177.300 0.010 0.000 1.287 62 P CA -0.662 62.452 63.100 0.023 0.000 0.792 62 P CB 0.500 32.218 31.700 0.030 0.000 1.163 63 S N -0.244 115.453 115.700 -0.005 0.000 2.586 63 S HA 0.198 4.668 4.470 -0.000 0.000 0.274 63 S C 1.496 176.066 174.600 -0.049 0.000 1.281 63 S CA -0.640 57.544 58.200 -0.027 0.000 1.035 63 S CB 0.163 63.342 63.200 -0.034 0.000 0.962 63 S HN 0.200 nan 8.310 nan 0.000 0.512 64 M N 2.683 122.229 119.600 -0.091 0.000 2.213 64 M HA -0.004 4.476 4.480 -0.000 0.000 0.263 64 M C 2.260 178.421 176.300 -0.232 0.000 1.062 64 M CA 1.628 56.820 55.300 -0.180 0.000 1.105 64 M CB -2.191 30.211 32.600 -0.330 0.000 1.385 64 M HN 0.972 nan 8.290 nan 0.000 0.417 65 G N 0.092 108.782 108.800 -0.182 0.000 2.442 65 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.219 65 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.219 65 G C 1.641 176.491 174.900 -0.083 0.000 1.141 65 G CA 1.049 46.065 45.100 -0.141 0.000 0.763 65 G HN 0.379 nan 8.290 nan 0.000 0.554 66 V N 0.986 120.867 119.914 -0.055 0.000 2.307 66 V HA -0.100 4.020 4.120 -0.000 0.000 0.245 66 V C 2.611 178.696 176.094 -0.015 0.000 1.045 66 V CA 1.415 63.700 62.300 -0.024 0.000 1.024 66 V CB -0.700 31.118 31.823 -0.008 0.000 0.651 66 V HN 0.347 nan 8.190 nan 0.000 0.449 67 L N 0.170 121.383 121.223 -0.017 0.000 2.189 67 L HA -0.227 4.113 4.340 -0.000 0.000 0.214 67 L C 2.294 179.173 176.870 0.015 0.000 1.097 67 L CA 1.904 56.751 54.840 0.012 0.000 0.764 67 L CB -0.785 41.291 42.059 0.028 0.000 0.900 67 L HN 0.376 nan 8.230 nan 0.000 0.436 68 Q N -1.372 118.412 119.800 -0.027 0.000 2.062 68 Q HA -0.063 4.277 4.340 -0.000 0.000 0.196 68 Q C 2.046 178.050 176.000 0.007 0.000 0.967 68 Q CA 1.682 57.480 55.803 -0.009 0.000 0.832 68 Q CB -0.010 28.686 28.738 -0.070 0.000 0.899 68 Q HN 0.528 nan 8.270 nan 0.000 0.442 69 V N 0.066 119.977 119.914 -0.005 0.000 2.719 69 V HA -0.131 3.989 4.120 -0.000 0.000 0.252 69 V C 2.183 178.286 176.094 0.014 0.000 1.065 69 V CA 0.787 63.089 62.300 0.004 0.000 1.086 69 V CB -0.316 31.506 31.823 -0.003 0.000 0.700 69 V HN 0.100 nan 8.190 nan 0.000 0.467 70 V N 0.156 120.081 119.914 0.018 0.000 2.244 70 V HA -0.216 3.904 4.120 -0.000 0.000 0.244 70 V C 2.442 178.556 176.094 0.034 0.000 1.042 70 V CA 1.915 64.231 62.300 0.027 0.000 1.006 70 V CB -0.613 31.231 31.823 0.034 0.000 0.641 70 V HN 0.472 nan 8.190 nan 0.000 0.446 71 K N -0.176 120.248 120.400 0.040 0.000 2.442 71 K HA -0.213 4.107 4.320 -0.000 0.000 0.198 71 K C 2.059 178.681 176.600 0.037 0.000 1.044 71 K CA 1.074 57.387 56.287 0.044 0.000 0.948 71 K CB -0.087 32.445 32.500 0.053 0.000 0.762 71 K HN 0.528 nan 8.250 nan 0.000 0.472 72 Q N -0.408 119.410 119.800 0.031 0.000 2.376 72 Q HA 0.026 4.366 4.340 -0.000 0.000 0.206 72 Q C 1.363 177.376 176.000 0.023 0.000 0.921 72 Q CA 0.675 56.494 55.803 0.026 0.000 0.911 72 Q CB 0.469 29.221 28.738 0.023 0.000 1.032 72 Q HN 0.028 nan 8.270 nan 0.000 0.510 73 S N -0.771 114.942 115.700 0.023 0.000 2.540 73 S HA 0.270 4.740 4.470 -0.000 0.000 0.222 73 S C -0.344 174.269 174.600 0.023 0.000 1.008 73 S CA -0.285 57.927 58.200 0.021 0.000 0.939 73 S CB 0.972 64.183 63.200 0.018 0.000 0.865 73 S HN 0.096 nan 8.310 nan 0.000 0.499 74 V N 1.903 121.833 119.914 0.027 0.000 2.588 74 V HA 0.377 4.497 4.120 -0.000 0.000 0.304 74 V C 0.043 176.156 176.094 0.032 0.000 1.042 74 V CA -0.515 61.802 62.300 0.029 0.000 0.877 74 V CB 2.051 33.894 31.823 0.033 0.000 0.996 74 V HN 0.263 nan 8.190 nan 0.000 0.425 75 Q N 2.960 122.778 119.800 0.030 0.000 2.297 75 Q HA 0.291 4.631 4.340 -0.000 0.000 0.203 75 Q C 0.476 176.498 176.000 0.037 0.000 0.931 75 Q CA 0.492 56.313 55.803 0.030 0.000 0.885 75 Q CB 0.437 29.190 28.738 0.025 0.000 0.991 75 Q HN 0.640 nan 8.270 nan 0.000 0.498 76 I N 3.768 124.361 120.570 0.037 0.000 2.815 76 I HA -0.029 4.141 4.170 -0.000 0.000 0.291 76 I C -1.908 174.249 176.117 0.066 0.000 1.209 76 I CA -1.634 59.692 61.300 0.043 0.000 1.431 76 I CB 0.254 38.272 38.000 0.030 0.000 1.351 76 I HN 0.004 nan 8.210 nan 0.000 0.585 77 P HA 0.020 nan 4.420 nan 0.000 0.268 77 P C -0.908 176.511 177.300 0.198 0.000 1.208 77 P CA 0.028 63.221 63.100 0.155 0.000 0.777 77 P CB 0.593 32.428 31.700 0.226 0.000 0.875 78 V N 2.934 122.997 119.914 0.249 0.000 2.488 78 V HA 0.284 4.404 4.120 -0.000 0.000 0.293 78 V C -0.282 176.009 176.094 0.329 0.000 1.027 78 V CA -0.356 62.090 62.300 0.243 0.000 0.862 78 V CB 0.767 32.667 31.823 0.129 0.000 1.008 78 V HN 0.308 nan 8.190 nan 0.000 0.428 79 F N 3.370 123.335 119.950 0.026 0.000 2.399 79 F HA 0.694 5.221 4.527 -0.000 0.000 0.328 79 F C 0.311 176.135 175.800 0.039 0.000 1.084 79 F CA -0.981 57.037 58.000 0.031 0.000 1.053 79 F CB 1.840 40.852 39.000 0.020 0.000 1.209 79 F HN 0.158 nan 8.300 nan 0.000 0.502 80 V N 3.796 123.816 119.914 0.177 0.000 2.495 80 V HA 0.316 4.436 4.120 -0.000 0.000 0.298 80 V C -0.201 175.976 176.094 0.139 0.000 1.031 80 V CA -0.921 61.454 62.300 0.125 0.000 0.871 80 V CB 1.665 33.532 31.823 0.074 0.000 0.988 80 V HN 0.679 nan 8.190 nan 0.000 0.432 81 M N 6.516 126.190 119.600 0.123 0.000 2.188 81 M HA 0.418 4.898 4.480 -0.000 0.000 0.354 81 M C -0.707 175.668 176.300 0.124 0.000 1.342 81 M CA 0.284 55.664 55.300 0.133 0.000 1.117 81 M CB 0.273 32.933 32.600 0.100 0.000 1.670 81 M HN 0.400 nan 8.290 nan 0.000 0.466 82 I N 6.741 127.411 120.570 0.167 0.000 2.620 82 I HA 0.375 4.545 4.170 -0.000 0.000 0.280 82 I C -0.408 175.789 176.117 0.133 0.000 1.143 82 I CA 0.042 61.409 61.300 0.111 0.000 1.163 82 I CB -0.666 37.376 38.000 0.070 0.000 1.461 82 I HN 0.637 nan 8.210 nan 0.000 0.530 83 R N 6.125 126.697 120.500 0.120 0.000 2.473 83 R HA 0.344 4.684 4.340 -0.000 0.000 0.303 83 R C -1.898 174.461 176.300 0.100 0.000 1.002 83 R CA -1.229 54.965 56.100 0.157 0.000 0.884 83 R CB 3.047 33.466 30.300 0.198 0.000 1.173 83 R HN 0.100 nan 8.270 nan 0.000 0.464 84 P HA -0.093 nan 4.420 nan 0.000 0.220 84 P C -0.364 176.990 177.300 0.089 0.000 1.152 84 P CA 0.934 64.077 63.100 0.072 0.000 0.812 84 P CB 0.557 32.295 31.700 0.064 0.000 0.792 85 R N -2.165 118.412 120.500 0.129 0.000 2.734 85 R HA 0.683 5.023 4.340 -0.000 0.000 0.271 85 R C 0.136 176.459 176.300 0.038 0.000 1.021 85 R CA -0.893 55.247 56.100 0.067 0.000 0.893 85 R CB 0.197 30.526 30.300 0.048 0.000 1.244 85 R HN -0.171 nan 8.270 nan 0.000 0.464 86 G N -0.412 108.380 108.800 -0.014 0.000 2.611 86 G HA2 0.463 4.423 3.960 -0.000 0.000 0.273 86 G HA3 0.463 4.423 3.960 -0.000 0.000 0.273 86 G C 0.402 175.209 174.900 -0.155 0.000 1.305 86 G CA -0.042 45.018 45.100 -0.067 0.000 1.010 86 G HN 1.115 nan 8.290 nan 0.000 0.509 87 G N -0.294 108.377 108.800 -0.215 0.000 2.508 87 G HA2 0.081 4.041 3.960 -0.000 0.000 0.220 87 G HA3 0.081 4.041 3.960 -0.000 0.000 0.220 87 G C 0.089 174.655 174.900 -0.557 0.000 1.287 87 G CA 0.579 45.512 45.100 -0.279 0.000 0.916 87 G HN 1.348 nan 8.290 nan 0.000 0.574 88 D N -0.162 119.940 120.400 -0.495 0.000 2.346 88 D HA 0.441 5.081 4.640 -0.000 0.000 0.249 88 D C 0.607 176.310 176.300 -0.995 0.000 1.308 88 D CA 0.068 53.712 54.000 -0.593 0.000 0.987 88 D CB 0.054 40.691 40.800 -0.272 0.000 1.114 88 D HN 0.423 nan 8.370 nan 0.000 0.529 89 F N -1.683 118.124 119.950 -0.238 0.000 2.805 89 F HA 0.297 4.824 4.527 -0.000 0.000 0.317 89 F C -0.008 175.581 175.800 -0.352 0.000 1.146 89 F CA -0.632 57.150 58.000 -0.364 0.000 1.265 89 F CB 0.253 39.293 39.000 0.067 0.000 0.992 89 F HN -0.104 nan 8.300 nan 0.000 0.511 90 L N 1.685 122.741 121.223 -0.278 0.000 2.282 90 L HA 0.255 4.595 4.340 -0.000 0.000 0.287 90 L C -0.894 175.819 176.870 -0.262 0.000 1.075 90 L CA -0.410 54.344 54.840 -0.143 0.000 0.839 90 L CB -0.062 41.951 42.059 -0.077 0.000 1.219 90 L HN 0.175 nan 8.230 nan 0.000 0.434 91 Y N 1.269 121.621 120.300 0.088 0.000 2.326 91 Y HA 0.216 4.766 4.550 -0.000 0.000 0.337 91 Y C 1.112 177.038 175.900 0.044 0.000 1.023 91 Y CA -0.565 57.571 58.100 0.060 0.000 1.143 91 Y CB 1.395 39.899 38.460 0.073 0.000 1.183 91 Y HN 0.578 nan 8.280 nan 0.000 0.485 92 S N 0.447 116.244 115.700 0.162 0.000 2.608 92 S HA 0.056 4.526 4.470 -0.000 0.000 0.261 92 S C 0.464 175.123 174.600 0.100 0.000 1.314 92 S CA -0.626 57.635 58.200 0.100 0.000 0.992 92 S CB 0.854 64.091 63.200 0.063 0.000 0.935 92 S HN 0.658 nan 8.310 nan 0.000 0.564 93 D N 0.757 121.196 120.400 0.064 0.000 2.123 93 D HA -0.082 4.558 4.640 -0.000 0.000 0.196 93 D C 2.112 178.433 176.300 0.035 0.000 0.992 93 D CA 1.425 55.452 54.000 0.046 0.000 0.833 93 D CB -0.219 40.601 40.800 0.033 0.000 0.954 93 D HN 0.539 nan 8.370 nan 0.000 0.455 94 R N 0.436 120.958 120.500 0.036 0.000 2.092 94 R HA -0.063 4.277 4.340 -0.000 0.000 0.231 94 R C 2.158 178.476 176.300 0.031 0.000 1.119 94 R CA 0.922 57.038 56.100 0.027 0.000 0.970 94 R CB -0.165 30.151 30.300 0.026 0.000 0.864 94 R HN 0.319 nan 8.270 nan 0.000 0.440 95 E N 0.967 121.203 120.200 0.060 0.000 2.047 95 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 95 E C 2.089 178.691 176.600 0.005 0.000 0.987 95 E CA 1.391 57.836 56.400 0.075 0.000 0.799 95 E CB -0.216 29.606 29.700 0.203 0.000 0.752 95 E HN 0.419 nan 8.360 nan 0.000 0.449 96 I N -0.469 120.106 120.570 0.009 0.000 2.361 96 I HA -0.244 3.926 4.170 -0.000 0.000 0.251 96 I C 2.234 178.308 176.117 -0.071 0.000 1.133 96 I CA 1.601 62.864 61.300 -0.063 0.000 1.413 96 I CB -0.147 37.842 38.000 -0.019 0.000 1.073 96 I HN 0.040 nan 8.210 nan 0.000 0.424 97 E N 0.935 121.114 120.200 -0.034 0.000 2.110 97 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 97 E C 2.180 178.756 176.600 -0.040 0.000 0.988 97 E CA 1.547 57.928 56.400 -0.033 0.000 0.804 97 E CB 0.099 29.791 29.700 -0.013 0.000 0.745 97 E HN 0.513 nan 8.360 nan 0.000 0.458 98 V N 0.735 120.628 119.914 -0.036 0.000 2.453 98 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 98 V C 2.255 178.314 176.094 -0.060 0.000 1.048 98 V CA 1.472 63.752 62.300 -0.034 0.000 1.049 98 V CB -0.328 31.486 31.823 -0.016 0.000 0.672 98 V HN 0.355 nan 8.190 nan 0.000 0.457 99 M N -0.549 118.990 119.600 -0.103 0.000 2.086 99 M HA -0.191 4.289 4.480 -0.000 0.000 0.261 99 M C 2.313 178.525 176.300 -0.145 0.000 1.067 99 M CA 1.908 57.116 55.300 -0.153 0.000 1.116 99 M CB -0.527 31.915 32.600 -0.264 0.000 1.348 99 M HN 0.176 nan 8.290 nan 0.000 0.407 100 K N 0.457 120.775 120.400 -0.137 0.000 2.044 100 K HA -0.170 4.149 4.320 -0.000 0.000 0.210 100 K C 2.045 178.597 176.600 -0.080 0.000 1.049 100 K CA 1.753 57.969 56.287 -0.117 0.000 0.927 100 K CB -0.370 32.075 32.500 -0.093 0.000 0.713 100 K HN 0.329 nan 8.250 nan 0.000 0.443 101 A N 1.323 124.109 122.820 -0.057 0.000 2.015 101 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 101 A C 1.636 179.206 177.584 -0.022 0.000 1.163 101 A CA 1.511 53.528 52.037 -0.033 0.000 0.646 101 A CB -0.176 18.812 19.000 -0.020 0.000 0.806 101 A HN 0.201 nan 8.150 nan 0.000 0.448 102 D N -0.046 120.336 120.400 -0.031 0.000 2.194 102 D HA -0.056 4.584 4.640 -0.000 0.000 0.204 102 D C 1.949 178.241 176.300 -0.014 0.000 0.964 102 D CA 0.627 54.620 54.000 -0.012 0.000 0.846 102 D CB -0.055 40.735 40.800 -0.016 0.000 0.962 102 D HN 0.349 nan 8.370 nan 0.000 0.490 103 I N 1.310 121.850 120.570 -0.049 0.000 2.058 103 I HA -0.283 3.887 4.170 -0.000 0.000 0.235 103 I C 2.462 178.558 176.117 -0.035 0.000 1.053 103 I CA 1.237 62.505 61.300 -0.053 0.000 1.313 103 I CB -1.038 36.904 38.000 -0.097 0.000 1.039 103 I HN -0.023 nan 8.210 nan 0.000 0.396 104 R N 0.399 120.873 120.500 -0.043 0.000 2.119 104 R HA -0.187 4.153 4.340 -0.000 0.000 0.246 104 R C 2.272 178.554 176.300 -0.030 0.000 1.146 104 R CA 1.253 57.328 56.100 -0.043 0.000 0.962 104 R CB -0.388 29.886 30.300 -0.043 0.000 0.863 104 R HN 0.317 nan 8.270 nan 0.000 0.442 105 L N 0.031 121.260 121.223 0.010 0.000 2.141 105 L HA -0.064 4.276 4.340 -0.000 0.000 0.209 105 L C 2.455 179.410 176.870 0.143 0.000 1.094 105 L CA 1.654 56.543 54.840 0.081 0.000 0.763 105 L CB -1.253 40.884 42.059 0.129 0.000 0.908 105 L HN 0.259 nan 8.230 nan 0.000 0.437 106 A N -0.089 122.783 122.820 0.087 0.000 1.898 106 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 106 A C 2.353 179.964 177.584 0.046 0.000 1.181 106 A CA 1.437 53.528 52.037 0.089 0.000 0.620 106 A CB -0.296 18.731 19.000 0.045 0.000 0.819 106 A HN 0.295 nan 8.150 nan 0.000 0.442 107 K N -0.401 119.992 120.400 -0.013 0.000 2.001 107 K HA -0.141 4.179 4.320 -0.000 0.000 0.214 107 K C 1.882 178.426 176.600 -0.093 0.000 1.050 107 K CA 1.669 57.923 56.287 -0.054 0.000 0.934 107 K CB -0.514 31.945 32.500 -0.068 0.000 0.718 107 K HN 0.440 nan 8.250 nan 0.000 0.443 108 L N -0.128 120.993 121.223 -0.170 0.000 2.089 108 L HA -0.235 4.105 4.340 -0.000 0.000 0.213 108 L C 1.286 177.854 176.870 -0.505 0.000 1.079 108 L CA 1.434 56.038 54.840 -0.393 0.000 0.758 108 L CB -0.203 41.498 42.059 -0.597 0.000 0.891 108 L HN 0.304 nan 8.230 nan 0.000 0.433 109 Y N -0.980 119.311 120.300 -0.015 0.000 2.683 109 Y HA 0.400 4.950 4.550 -0.000 0.000 0.297 109 Y C 1.127 177.021 175.900 -0.010 0.000 1.147 109 Y CA 0.231 58.325 58.100 -0.010 0.000 1.274 109 Y CB 0.212 38.669 38.460 -0.005 0.000 1.143 109 Y HN 0.212 nan 8.280 nan 0.000 0.527 110 G N 0.264 109.093 108.800 0.047 0.000 2.731 110 G HA2 0.161 4.120 3.960 -0.000 0.000 0.218 110 G HA3 0.161 4.120 3.960 -0.000 0.000 0.218 110 G C -0.106 174.792 174.900 -0.003 0.000 1.349 110 G CA -0.401 44.714 45.100 0.024 0.000 1.225 110 G HN 1.073 nan 8.290 nan 0.000 0.526 111 A N -0.390 122.432 122.820 0.003 0.000 1.677 111 A HA 0.068 4.388 4.320 -0.000 0.000 0.219 111 A C 0.659 178.165 177.584 -0.130 0.000 1.295 111 A CA 1.465 53.478 52.037 -0.040 0.000 0.647 111 A CB -1.373 17.610 19.000 -0.028 0.000 1.201 111 A HN 1.239 nan 8.150 nan 0.000 0.214 112 D N 0.740 121.036 120.400 -0.174 0.000 2.363 112 D HA 0.289 4.929 4.640 -0.000 0.000 0.226 112 D C 1.009 176.894 176.300 -0.692 0.000 1.020 112 D CA 1.697 55.533 54.000 -0.273 0.000 0.892 112 D CB 0.375 41.122 40.800 -0.088 0.000 0.900 112 D HN 1.413 nan 8.370 nan 0.000 0.531 113 G N 0.132 108.388 108.800 -0.906 0.000 2.489 113 G HA2 0.477 4.437 3.960 -0.000 0.000 0.291 113 G HA3 0.477 4.437 3.960 -0.000 0.000 0.291 113 G C -2.007 172.597 174.900 -0.493 0.000 1.487 113 G CA -0.829 43.608 45.100 -1.106 0.000 0.795 113 G HN 0.033 nan 8.290 nan 0.000 0.513 114 L N 0.297 121.426 121.223 -0.156 0.000 2.409 114 L HA 0.651 4.991 4.340 -0.000 0.000 0.272 114 L C -0.286 176.722 176.870 0.231 0.000 0.980 114 L CA -1.076 53.814 54.840 0.084 0.000 0.826 114 L CB 2.350 44.470 42.059 0.102 0.000 1.268 114 L HN 0.405 nan 8.230 nan 0.000 0.407 115 V N 2.981 123.046 119.914 0.251 0.000 2.483 115 V HA 0.717 4.837 4.120 -0.000 0.000 0.295 115 V C -0.454 175.811 176.094 0.284 0.000 1.035 115 V CA -0.614 61.807 62.300 0.202 0.000 0.896 115 V CB 1.201 33.142 31.823 0.196 0.000 0.986 115 V HN 0.661 nan 8.190 nan 0.000 0.447 116 F N 1.200 121.101 119.950 -0.082 0.000 2.842 116 F HA 0.893 5.420 4.527 -0.000 0.000 0.319 116 F C -0.364 174.776 175.800 -1.100 0.000 1.159 116 F CA -0.521 57.306 58.000 -0.288 0.000 0.902 116 F CB 1.316 40.230 39.000 -0.143 0.000 1.311 116 F HN 0.830 nan 8.300 nan 0.000 0.453 117 G N 0.254 108.463 108.800 -0.985 0.000 2.718 117 G HA2 0.907 4.867 3.960 -0.000 0.000 0.295 117 G HA3 0.907 4.867 3.960 -0.000 0.000 0.295 117 G C -2.328 172.422 174.900 -0.249 0.000 1.421 117 G CA -0.508 43.656 45.100 -1.560 0.000 0.902 117 G HN 1.617 nan 8.290 nan 0.000 0.501 118 A N 0.842 123.664 122.820 0.004 0.000 2.549 118 A HA 0.842 5.162 4.320 -0.000 0.000 0.297 118 A C -1.541 176.286 177.584 0.404 0.000 1.061 118 A CA -0.506 51.783 52.037 0.420 0.000 0.690 118 A CB 1.741 21.019 19.000 0.464 0.000 1.287 118 A HN 0.752 nan 8.150 nan 0.000 0.402 119 L N 0.554 121.996 121.223 0.364 0.000 2.309 119 L HA 0.741 5.081 4.340 -0.000 0.000 0.261 119 L C 0.025 177.016 176.870 0.202 0.000 1.021 119 L CA -0.263 54.739 54.840 0.270 0.000 0.823 119 L CB 2.110 44.321 42.059 0.254 0.000 1.366 119 L HN 0.832 nan 8.230 nan 0.000 0.423 120 T N -0.434 114.215 114.554 0.159 0.000 2.855 120 T HA 0.204 4.554 4.350 -0.000 0.000 0.281 120 T C 1.025 175.766 174.700 0.068 0.000 1.007 120 T CA -0.516 61.659 62.100 0.125 0.000 1.009 120 T CB 2.126 71.090 68.868 0.160 0.000 0.983 120 T HN 0.640 nan 8.240 nan 0.000 0.455 121 E N 1.544 121.774 120.200 0.051 0.000 2.335 121 E HA -0.341 4.009 4.350 -0.000 0.000 0.236 121 E C 0.684 177.269 176.600 -0.024 0.000 1.103 121 E CA 2.514 58.923 56.400 0.016 0.000 1.010 121 E CB -0.028 29.685 29.700 0.021 0.000 0.859 121 E HN 0.781 nan 8.360 nan 0.000 0.473 122 D N -1.983 118.391 120.400 -0.045 0.000 2.395 122 D HA 0.189 4.829 4.640 -0.000 0.000 0.226 122 D C 0.928 176.984 176.300 -0.405 0.000 1.146 122 D CA 0.595 54.495 54.000 -0.167 0.000 0.830 122 D CB 0.368 41.110 40.800 -0.098 0.000 0.958 122 D HN 0.377 nan 8.370 nan 0.000 0.501 123 G N 0.031 108.682 108.800 -0.248 0.000 2.136 123 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.242 123 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.242 123 G C -0.292 174.454 174.900 -0.257 0.000 0.989 123 G CA -0.129 44.844 45.100 -0.212 0.000 0.682 123 G HN 0.607 nan 8.290 nan 0.000 0.522 124 H N -0.057 119.053 119.070 0.066 0.000 2.502 124 H HA 0.634 5.190 4.556 -0.000 0.000 0.338 124 H C 1.243 176.627 175.328 0.092 0.000 1.155 124 H CA -0.821 55.266 56.048 0.065 0.000 1.237 124 H CB 1.146 30.941 29.762 0.054 0.000 1.534 124 H HN 0.312 nan 8.280 nan 0.000 0.523 125 I N -0.702 119.994 120.570 0.211 0.000 2.752 125 I HA -0.013 4.157 4.170 -0.000 0.000 0.287 125 I C 0.439 176.693 176.117 0.228 0.000 1.188 125 I CA 0.071 61.493 61.300 0.203 0.000 1.427 125 I CB 0.320 38.376 38.000 0.093 0.000 1.365 125 I HN 0.666 nan 8.210 nan 0.000 0.585 126 D N 5.666 126.230 120.400 0.273 0.000 2.608 126 D HA 0.039 4.679 4.640 -0.000 0.000 0.224 126 D C 1.210 177.650 176.300 0.233 0.000 1.123 126 D CA -0.079 54.065 54.000 0.240 0.000 1.030 126 D CB 0.404 41.358 40.800 0.257 0.000 1.093 126 D HN 0.519 nan 8.370 nan 0.000 0.497 127 K N 1.139 121.653 120.400 0.191 0.000 2.044 127 K HA -0.300 4.020 4.320 -0.000 0.000 0.224 127 K C 1.749 178.445 176.600 0.159 0.000 1.056 127 K CA 1.589 57.977 56.287 0.169 0.000 0.962 127 K CB -0.130 32.438 32.500 0.113 0.000 0.730 127 K HN 0.359 nan 8.250 nan 0.000 0.453 128 E N 1.027 121.302 120.200 0.125 0.000 2.085 128 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 128 E C 2.146 178.809 176.600 0.105 0.000 0.994 128 E CA 1.192 57.651 56.400 0.098 0.000 0.801 128 E CB -0.054 29.693 29.700 0.078 0.000 0.743 128 E HN 0.320 nan 8.360 nan 0.000 0.453 129 L N 0.188 121.491 121.223 0.134 0.000 2.156 129 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 129 L C 2.460 179.412 176.870 0.137 0.000 1.095 129 L CA 0.914 55.824 54.840 0.118 0.000 0.770 129 L CB -0.013 42.132 42.059 0.144 0.000 0.914 129 L HN 0.362 nan 8.230 nan 0.000 0.439 130 C N -0.917 118.543 119.300 0.268 0.000 2.457 130 C HA -0.117 4.343 4.460 -0.000 0.000 0.278 130 C C 2.654 177.801 174.990 0.261 0.000 1.309 130 C CA 0.340 59.625 59.018 0.445 0.000 1.735 130 C CB -0.867 27.284 27.740 0.684 0.000 1.992 130 C HN 0.510 nan 8.230 nan 0.000 0.493 131 M N 1.288 120.982 119.600 0.157 0.000 2.065 131 M HA -0.181 4.299 4.480 -0.000 0.000 0.259 131 M C 2.632 178.945 176.300 0.020 0.000 1.069 131 M CA 2.156 57.494 55.300 0.062 0.000 1.110 131 M CB -0.723 31.908 32.600 0.053 0.000 1.328 131 M HN 0.501 nan 8.290 nan 0.000 0.405 132 S N 0.726 116.436 115.700 0.017 0.000 2.370 132 S HA -0.127 4.343 4.470 -0.000 0.000 0.226 132 S C 1.787 176.341 174.600 -0.077 0.000 1.033 132 S CA 1.297 59.483 58.200 -0.024 0.000 1.011 132 S CB -0.298 62.891 63.200 -0.018 0.000 0.852 132 S HN 0.422 nan 8.310 nan 0.000 0.457 133 L N 0.213 121.359 121.223 -0.129 0.000 2.217 133 L HA 0.081 4.421 4.340 -0.000 0.000 0.211 133 L C 2.700 179.459 176.870 -0.185 0.000 1.107 133 L CA 0.901 55.560 54.840 -0.301 0.000 0.783 133 L CB -0.301 41.297 42.059 -0.768 0.000 0.919 133 L HN 0.408 nan 8.230 nan 0.000 0.442 134 M N -0.880 118.697 119.600 -0.038 0.000 2.236 134 M HA -0.110 4.370 4.480 -0.000 0.000 0.266 134 M C 2.460 178.729 176.300 -0.052 0.000 1.070 134 M CA 1.378 56.669 55.300 -0.015 0.000 1.137 134 M CB -0.065 32.489 32.600 -0.077 0.000 1.378 134 M HN 0.310 nan 8.290 nan 0.000 0.426 135 A N 1.433 124.221 122.820 -0.052 0.000 1.884 135 A HA -0.243 4.077 4.320 -0.000 0.000 0.219 135 A C 1.872 179.423 177.584 -0.054 0.000 1.197 135 A CA 2.357 54.364 52.037 -0.049 0.000 0.637 135 A CB -1.300 17.675 19.000 -0.041 0.000 0.827 135 A HN 0.708 nan 8.150 nan 0.000 0.450 136 I N -2.675 117.856 120.570 -0.065 0.000 2.546 136 I HA -0.152 4.018 4.170 -0.000 0.000 0.255 136 I C 2.306 178.384 176.117 -0.065 0.000 1.163 136 I CA 1.047 62.306 61.300 -0.067 0.000 1.457 136 I CB -0.930 37.022 38.000 -0.080 0.000 1.092 136 I HN 0.262 nan 8.210 nan 0.000 0.434 137 C N 0.873 120.136 119.300 -0.062 0.000 2.466 137 C HA 0.071 4.531 4.460 -0.000 0.000 0.278 137 C C 1.706 176.667 174.990 -0.048 0.000 1.288 137 C CA 0.056 59.048 59.018 -0.042 0.000 1.722 137 C CB -1.031 26.717 27.740 0.012 0.000 2.017 137 C HN 0.358 nan 8.230 nan 0.000 0.488 138 R N 1.547 122.017 120.500 -0.050 0.000 2.623 138 R HA 0.107 4.447 4.340 -0.000 0.000 0.271 138 R C -1.442 174.828 176.300 -0.050 0.000 1.043 138 R CA -1.453 54.616 56.100 -0.052 0.000 1.083 138 R CB -0.382 29.886 30.300 -0.053 0.000 0.974 138 R HN 0.337 nan 8.270 nan 0.000 0.436 139 P HA 0.075 nan 4.420 nan 0.000 0.249 139 P C 0.131 177.399 177.300 -0.053 0.000 1.229 139 P CA 0.207 63.280 63.100 -0.046 0.000 0.788 139 P CB 0.438 32.114 31.700 -0.039 0.000 1.072 140 L N 2.376 123.559 121.223 -0.067 0.000 2.452 140 L HA 0.222 4.562 4.340 -0.000 0.000 0.267 140 L C -1.768 175.050 176.870 -0.086 0.000 1.188 140 L CA -2.026 52.756 54.840 -0.096 0.000 0.821 140 L CB -0.213 41.769 42.059 -0.128 0.000 1.102 140 L HN -0.118 nan 8.230 nan 0.000 0.470 141 P HA 0.064 nan 4.420 nan 0.000 0.271 141 P C -0.986 176.323 177.300 0.014 0.000 1.220 141 P CA -0.078 63.010 63.100 -0.019 0.000 0.768 141 P CB 0.918 32.657 31.700 0.065 0.000 0.848 142 V N 3.144 123.103 119.914 0.074 0.000 2.378 142 V HA 0.344 4.464 4.120 -0.000 0.000 0.288 142 V C 0.725 176.981 176.094 0.271 0.000 1.016 142 V CA -0.401 61.980 62.300 0.134 0.000 0.840 142 V CB 1.287 33.124 31.823 0.024 0.000 0.994 142 V HN 0.615 nan 8.190 nan 0.000 0.431 143 T N 4.986 119.675 114.554 0.224 0.000 2.795 143 T HA 0.595 4.945 4.350 -0.000 0.000 0.282 143 T C -0.815 173.821 174.700 -0.107 0.000 0.980 143 T CA -0.309 61.874 62.100 0.139 0.000 1.012 143 T CB 0.556 69.490 68.868 0.111 0.000 0.936 143 T HN 0.380 nan 8.240 nan 0.000 0.457 144 F N 5.946 125.627 119.950 -0.447 0.000 2.396 144 F HA 0.436 4.963 4.527 -0.000 0.000 0.343 144 F C 0.851 176.393 175.800 -0.431 0.000 1.104 144 F CA -0.225 57.319 58.000 -0.760 0.000 1.161 144 F CB 0.717 39.058 39.000 -1.098 0.000 1.146 144 F HN 0.900 nan 8.300 nan 0.000 0.522 145 H N 3.111 121.998 119.070 -0.305 0.000 3.047 145 H HA 0.502 5.058 4.556 -0.000 0.000 0.253 145 H C 1.084 176.414 175.328 0.003 0.000 1.587 145 H CA -0.797 55.172 56.048 -0.131 0.000 1.652 145 H CB 0.094 29.759 29.762 -0.160 0.000 1.618 145 H HN 0.428 nan 8.280 nan 0.000 0.956 146 R N -0.387 120.294 120.500 0.301 0.000 2.204 146 R HA -0.189 4.151 4.340 -0.000 0.000 0.253 146 R C 2.031 178.434 176.300 0.172 0.000 1.172 146 R CA 1.312 57.535 56.100 0.204 0.000 0.994 146 R CB -1.351 29.024 30.300 0.126 0.000 0.874 146 R HN 0.749 nan 8.270 nan 0.000 0.462 147 A N 0.817 123.673 122.820 0.061 0.000 2.139 147 A HA -0.208 4.112 4.320 -0.000 0.000 0.221 147 A C 1.879 179.532 177.584 0.115 0.000 1.159 147 A CA 1.148 52.965 52.037 -0.366 0.000 0.662 147 A CB -0.713 17.607 19.000 -1.133 0.000 0.796 147 A HN 0.352 nan 8.150 nan 0.000 0.463 148 F N 1.406 121.438 119.950 0.137 0.000 2.134 148 F HA -0.159 4.368 4.527 -0.000 0.000 0.299 148 F C 1.596 177.376 175.800 -0.033 0.000 1.097 148 F CA 1.876 59.845 58.000 -0.052 0.000 1.264 148 F CB -0.241 38.667 39.000 -0.153 0.000 1.001 148 F HN 0.276 nan 8.300 nan 0.000 0.479 149 D N 0.037 120.401 120.400 -0.059 0.000 2.311 149 D HA -0.149 4.491 4.640 -0.000 0.000 0.212 149 D C 1.834 178.055 176.300 -0.133 0.000 0.972 149 D CA 0.937 54.855 54.000 -0.135 0.000 0.887 149 D CB -0.140 40.668 40.800 0.013 0.000 0.915 149 D HN 0.340 nan 8.370 nan 0.000 0.497 150 M N 0.477 120.035 119.600 -0.069 0.000 2.431 150 M HA 0.096 4.576 4.480 -0.000 0.000 0.237 150 M C 0.356 176.622 176.300 -0.058 0.000 1.130 150 M CA -0.099 55.198 55.300 -0.005 0.000 1.002 150 M CB -0.001 32.683 32.600 0.139 0.000 1.524 150 M HN -0.299 nan 8.290 nan 0.000 0.482 151 V N 0.215 120.019 119.914 -0.183 0.000 2.924 151 V HA -0.074 4.046 4.120 -0.000 0.000 0.305 151 V C 1.695 177.712 176.094 -0.129 0.000 1.073 151 V CA 0.132 62.326 62.300 -0.176 0.000 1.098 151 V CB 0.906 32.533 31.823 -0.327 0.000 1.000 151 V HN 0.410 nan 8.190 nan 0.000 0.484 152 H N 1.168 120.133 119.070 -0.175 0.000 2.403 152 H HA 0.045 4.601 4.556 -0.000 0.000 0.298 152 H C 0.608 175.886 175.328 -0.083 0.000 1.059 152 H CA 1.574 57.538 56.048 -0.139 0.000 1.363 152 H CB 0.377 30.024 29.762 -0.190 0.000 1.410 152 H HN 0.667 nan 8.280 nan 0.000 0.528 153 D N -0.402 119.978 120.400 -0.034 0.000 2.363 153 D HA 0.129 4.769 4.640 -0.000 0.000 0.258 153 D C -2.101 174.172 176.300 -0.045 0.000 1.259 153 D CA -2.166 51.809 54.000 -0.042 0.000 0.921 153 D CB 1.221 42.078 40.800 0.096 0.000 1.201 153 D HN 0.154 nan 8.370 nan 0.000 0.524 154 P HA -0.096 nan 4.420 nan 0.000 0.230 154 P C 1.645 179.025 177.300 0.134 0.000 1.158 154 P CA 0.421 63.432 63.100 -0.147 0.000 0.769 154 P CB 0.364 31.854 31.700 -0.351 0.000 0.807 155 M N 0.094 119.725 119.600 0.052 0.000 2.081 155 M HA -0.027 4.453 4.480 -0.000 0.000 0.261 155 M C 2.095 178.434 176.300 0.065 0.000 1.075 155 M CA 1.896 57.231 55.300 0.058 0.000 1.133 155 M CB -1.326 31.288 32.600 0.023 0.000 1.330 155 M HN -0.056 nan 8.290 nan 0.000 0.414 156 A N -0.705 122.151 122.820 0.059 0.000 2.251 156 A HA 0.396 4.716 4.320 -0.000 0.000 0.209 156 A C 2.004 179.628 177.584 0.065 0.000 1.187 156 A CA 0.965 53.033 52.037 0.052 0.000 0.823 156 A CB -0.501 18.525 19.000 0.043 0.000 0.846 156 A HN 0.469 nan 8.150 nan 0.000 0.486 157 A N -0.681 122.205 122.820 0.111 0.000 1.956 157 A HA 0.248 4.568 4.320 -0.000 0.000 0.212 157 A C 1.835 179.459 177.584 0.067 0.000 1.188 157 A CA 0.923 53.038 52.037 0.131 0.000 0.675 157 A CB -0.400 18.727 19.000 0.211 0.000 0.845 157 A HN 0.553 nan 8.150 nan 0.000 0.455 158 L N 0.302 121.576 121.223 0.085 0.000 2.079 158 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 158 L C 2.103 178.924 176.870 -0.082 0.000 1.081 158 L CA 2.590 57.353 54.840 -0.129 0.000 0.752 158 L CB -0.481 41.527 42.059 -0.084 0.000 0.896 158 L HN 0.470 nan 8.230 nan 0.000 0.433 159 E N -0.956 119.234 120.200 -0.017 0.000 2.058 159 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 159 E C 2.024 178.621 176.600 -0.005 0.000 0.997 159 E CA 2.108 58.504 56.400 -0.007 0.000 0.801 159 E CB -0.297 29.409 29.700 0.009 0.000 0.746 159 E HN 0.539 nan 8.360 nan 0.000 0.450 160 T N 0.646 115.198 114.554 -0.003 0.000 2.821 160 T HA -0.067 4.283 4.350 -0.000 0.000 0.267 160 T C 1.742 176.453 174.700 0.019 0.000 1.046 160 T CA 0.953 63.061 62.100 0.013 0.000 1.139 160 T CB -0.175 68.705 68.868 0.020 0.000 0.871 160 T HN 0.135 nan 8.240 nan 0.000 0.454 161 L N 0.317 121.497 121.223 -0.071 0.000 2.353 161 L HA 0.008 4.348 4.340 -0.000 0.000 0.220 161 L C 2.151 179.066 176.870 0.075 0.000 1.133 161 L CA 0.857 55.649 54.840 -0.080 0.000 0.798 161 L CB -0.491 41.321 42.059 -0.413 0.000 0.922 161 L HN 0.300 nan 8.230 nan 0.000 0.445 162 L N -1.584 119.651 121.223 0.020 0.000 2.221 162 L HA -0.065 4.275 4.340 -0.000 0.000 0.202 162 L C 2.480 179.377 176.870 0.044 0.000 1.074 162 L CA 0.736 55.595 54.840 0.032 0.000 0.795 162 L CB -0.564 41.495 42.059 0.000 0.000 0.960 162 L HN 0.034 nan 8.230 nan 0.000 0.458 163 T N 0.108 114.685 114.554 0.039 0.000 2.918 163 T HA -0.100 4.250 4.350 -0.000 0.000 0.271 163 T C 1.599 176.331 174.700 0.053 0.000 1.104 163 T CA 1.135 63.258 62.100 0.038 0.000 1.114 163 T CB -0.065 68.823 68.868 0.034 0.000 0.855 163 T HN 0.154 nan 8.240 nan 0.000 0.518 164 L N -0.952 120.327 121.223 0.093 0.000 2.609 164 L HA 0.328 4.668 4.340 -0.000 0.000 0.230 164 L C 1.568 178.430 176.870 -0.013 0.000 1.087 164 L CA 0.334 55.226 54.840 0.087 0.000 0.874 164 L CB 0.131 42.337 42.059 0.245 0.000 1.114 164 L HN 0.359 nan 8.230 nan 0.000 0.488 165 G N 0.963 109.787 108.800 0.039 0.000 2.256 165 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.272 165 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.272 165 G C -0.066 174.795 174.900 -0.065 0.000 1.076 165 G CA -0.310 44.782 45.100 -0.013 0.000 0.882 165 G HN 0.089 nan 8.290 nan 0.000 0.497 166 F N -0.480 119.460 119.950 -0.017 0.000 2.444 166 F HA 0.487 5.014 4.527 -0.000 0.000 0.331 166 F C 1.641 177.427 175.800 -0.023 0.000 1.167 166 F CA 0.010 57.998 58.000 -0.022 0.000 1.262 166 F CB 0.746 39.718 39.000 -0.048 0.000 1.196 166 F HN 0.099 nan 8.300 nan 0.000 0.583 167 E N 0.182 120.498 120.200 0.193 0.000 2.276 167 E HA 0.163 4.513 4.350 -0.000 0.000 0.193 167 E C -0.207 176.445 176.600 0.088 0.000 0.983 167 E CA 0.543 57.012 56.400 0.115 0.000 0.861 167 E CB 0.357 30.125 29.700 0.113 0.000 0.817 167 E HN 0.388 nan 8.360 nan 0.000 0.485 168 R N -0.639 119.920 120.500 0.098 0.000 2.707 168 R HA 0.576 4.916 4.340 -0.000 0.000 0.272 168 R C -1.627 174.638 176.300 -0.058 0.000 1.011 168 R CA -0.707 55.401 56.100 0.014 0.000 0.893 168 R CB 2.591 32.900 30.300 0.015 0.000 1.233 168 R HN -0.199 nan 8.270 nan 0.000 0.464 169 V N 2.985 122.830 119.914 -0.115 0.000 2.525 169 V HA 0.345 4.465 4.120 -0.000 0.000 0.299 169 V C -0.248 175.797 176.094 -0.081 0.000 1.034 169 V CA -0.788 61.408 62.300 -0.173 0.000 0.863 169 V CB 1.849 33.429 31.823 -0.405 0.000 0.999 169 V HN 0.573 nan 8.190 nan 0.000 0.423 170 L N 3.931 125.143 121.223 -0.017 0.000 2.319 170 L HA 0.588 4.928 4.340 -0.000 0.000 0.280 170 L C 0.258 177.195 176.870 0.112 0.000 1.099 170 L CA 0.742 55.602 54.840 0.034 0.000 0.828 170 L CB 1.387 43.460 42.059 0.022 0.000 1.150 170 L HN 0.829 nan 8.230 nan 0.000 0.442 171 T N 0.768 115.396 114.554 0.123 0.000 2.840 171 T HA 0.323 4.673 4.350 -0.000 0.000 0.317 171 T C -0.187 174.592 174.700 0.132 0.000 1.401 171 T CA -0.323 61.885 62.100 0.179 0.000 1.028 171 T CB 1.623 70.649 68.868 0.263 0.000 1.317 171 T HN 0.576 nan 8.240 nan 0.000 0.495 172 S N 0.409 116.179 115.700 0.116 0.000 3.021 172 S HA 0.491 4.961 4.470 -0.000 0.000 0.252 172 S C 1.266 175.897 174.600 0.053 0.000 0.996 172 S CA 0.405 58.650 58.200 0.075 0.000 1.084 172 S CB 0.223 63.461 63.200 0.064 0.000 1.021 172 S HN 1.884 nan 8.310 nan 0.000 0.566 173 G N 0.655 109.497 108.800 0.070 0.000 2.153 173 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.252 173 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.252 173 G C 0.615 175.504 174.900 -0.019 0.000 0.994 173 G CA -0.233 44.889 45.100 0.036 0.000 0.698 173 G HN 1.600 nan 8.290 nan 0.000 0.521 174 C N -1.024 118.255 119.300 -0.035 0.000 4.529 174 C HA -0.058 4.402 4.460 -0.000 0.000 0.296 174 C C 0.356 175.324 174.990 -0.037 0.000 1.353 174 C CA 0.688 59.662 59.018 -0.073 0.000 2.011 174 C CB -2.393 25.259 27.740 -0.148 0.000 1.235 174 C HN 0.799 nan 8.230 nan 0.000 0.784 175 D N -1.152 119.243 120.400 -0.009 0.000 2.566 175 D HA 0.499 5.139 4.640 -0.000 0.000 0.254 175 D C 0.949 177.254 176.300 0.008 0.000 1.090 175 D CA 0.305 54.303 54.000 -0.004 0.000 1.034 175 D CB 1.470 42.267 40.800 -0.005 0.000 1.434 175 D HN 0.059 nan 8.370 nan 0.000 0.509 176 S N 0.241 115.944 115.700 0.005 0.000 2.407 176 S HA -0.194 4.276 4.470 -0.000 0.000 0.244 176 S C 0.864 175.473 174.600 0.015 0.000 1.077 176 S CA 2.461 60.667 58.200 0.009 0.000 1.159 176 S CB -0.129 63.073 63.200 0.003 0.000 1.045 176 S HN 0.587 nan 8.310 nan 0.000 0.438 177 S N -1.876 113.832 115.700 0.012 0.000 2.790 177 S HA 0.817 5.287 4.470 -0.000 0.000 0.292 177 S C 0.674 175.284 174.600 0.016 0.000 1.197 177 S CA -0.154 58.056 58.200 0.016 0.000 0.851 177 S CB 0.829 64.033 63.200 0.006 0.000 1.217 177 S HN 0.633 nan 8.310 nan 0.000 0.526 178 A N -0.042 122.788 122.820 0.017 0.000 1.968 178 A HA 0.164 4.484 4.320 -0.000 0.000 0.217 178 A C 1.952 179.535 177.584 -0.003 0.000 1.169 178 A CA 1.265 53.312 52.037 0.016 0.000 0.638 178 A CB -0.990 18.023 19.000 0.021 0.000 0.812 178 A HN 0.877 nan 8.150 nan 0.000 0.446 179 L N -0.266 120.949 121.223 -0.013 0.000 2.275 179 L HA -0.081 4.259 4.340 -0.000 0.000 0.215 179 L C 2.004 178.866 176.870 -0.014 0.000 1.119 179 L CA 1.713 56.541 54.840 -0.021 0.000 0.790 179 L CB -0.326 41.717 42.059 -0.027 0.000 0.919 179 L HN 0.375 nan 8.230 nan 0.000 0.443 180 E N -0.993 119.202 120.200 -0.008 0.000 2.102 180 E HA 0.075 4.425 4.350 -0.000 0.000 0.190 180 E C 1.761 178.357 176.600 -0.005 0.000 0.971 180 E CA 0.968 57.364 56.400 -0.007 0.000 0.821 180 E CB -0.182 29.515 29.700 -0.005 0.000 0.777 180 E HN 0.489 nan 8.360 nan 0.000 0.460 181 G N 1.462 110.263 108.800 0.000 0.000 3.233 181 G HA2 0.026 3.986 3.960 -0.000 0.000 0.227 181 G HA3 0.026 3.986 3.960 -0.000 0.000 0.227 181 G C 1.444 176.349 174.900 0.008 0.000 1.175 181 G CA -0.227 44.875 45.100 0.003 0.000 0.781 181 G HN 0.134 nan 8.290 nan 0.000 0.542 182 L N 0.823 122.047 121.223 0.001 0.000 2.043 182 L HA 0.000 4.340 4.340 -0.000 0.000 0.212 182 L C -0.062 176.808 176.870 0.000 0.000 1.075 182 L CA 1.640 56.479 54.840 -0.001 0.000 0.752 182 L CB -0.522 41.529 42.059 -0.014 0.000 0.891 182 L HN 0.063 nan 8.230 nan 0.000 0.432 183 P HA -0.247 nan 4.420 nan 0.000 0.215 183 P C 1.785 179.088 177.300 0.005 0.000 1.163 183 P CA 1.573 64.673 63.100 -0.001 0.000 0.894 183 P CB -0.118 31.579 31.700 -0.005 0.000 0.791 184 L N -0.343 120.885 121.223 0.008 0.000 2.217 184 L HA -0.041 4.299 4.340 -0.000 0.000 0.211 184 L C 2.072 178.965 176.870 0.038 0.000 1.107 184 L CA 1.192 56.043 54.840 0.018 0.000 0.783 184 L CB -1.184 40.881 42.059 0.010 0.000 0.919 184 L HN -0.060 nan 8.230 nan 0.000 0.442 185 I N -3.491 117.102 120.570 0.038 0.000 2.493 185 I HA -0.221 3.949 4.170 -0.000 0.000 0.254 185 I C 2.111 178.245 176.117 0.027 0.000 1.160 185 I CA 1.082 62.408 61.300 0.043 0.000 1.445 185 I CB -0.494 37.529 38.000 0.038 0.000 1.086 185 I HN 0.155 nan 8.210 nan 0.000 0.433 186 K N 1.603 122.013 120.400 0.018 0.000 1.973 186 K HA -0.113 4.207 4.320 -0.000 0.000 0.212 186 K C 2.282 178.892 176.600 0.016 0.000 1.047 186 K CA 1.790 58.085 56.287 0.014 0.000 0.937 186 K CB -0.323 32.182 32.500 0.008 0.000 0.721 186 K HN 0.230 nan 8.250 nan 0.000 0.440 187 R N 0.947 121.456 120.500 0.016 0.000 2.174 187 R HA -0.170 4.170 4.340 -0.000 0.000 0.253 187 R C 2.292 178.604 176.300 0.021 0.000 1.165 187 R CA 1.371 57.481 56.100 0.017 0.000 0.984 187 R CB -0.446 29.864 30.300 0.016 0.000 0.873 187 R HN 0.196 nan 8.270 nan 0.000 0.456 188 L N -0.273 120.967 121.223 0.028 0.000 2.034 188 L HA -0.111 4.229 4.340 -0.000 0.000 0.203 188 L C 2.308 179.179 176.870 0.002 0.000 1.074 188 L CA 1.050 55.903 54.840 0.023 0.000 0.748 188 L CB -0.442 41.641 42.059 0.040 0.000 0.905 188 L HN 0.136 nan 8.230 nan 0.000 0.439 189 I N 0.637 121.210 120.570 0.005 0.000 2.113 189 I HA -0.399 3.771 4.170 -0.000 0.000 0.242 189 I C 2.688 178.809 176.117 0.007 0.000 1.057 189 I CA 2.288 63.592 61.300 0.006 0.000 1.314 189 I CB -0.426 37.584 38.000 0.017 0.000 1.022 189 I HN 0.484 nan 8.210 nan 0.000 0.408 190 E N 0.668 120.874 120.200 0.010 0.000 2.274 190 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 190 E C 2.116 178.720 176.600 0.006 0.000 0.996 190 E CA 0.844 57.249 56.400 0.010 0.000 0.840 190 E CB -0.313 29.393 29.700 0.011 0.000 0.772 190 E HN 0.595 nan 8.360 nan 0.000 0.491 191 Q N 0.291 120.094 119.800 0.005 0.000 2.187 191 Q HA -0.035 4.305 4.340 -0.000 0.000 0.199 191 Q C 2.056 178.054 176.000 -0.004 0.000 0.957 191 Q CA 1.055 56.859 55.803 0.003 0.000 0.857 191 Q CB 0.005 28.747 28.738 0.007 0.000 0.929 191 Q HN 0.410 nan 8.270 nan 0.000 0.453 192 A N 1.002 123.815 122.820 -0.010 0.000 1.855 192 A HA -0.061 4.259 4.320 -0.000 0.000 0.213 192 A C 0.706 178.286 177.584 -0.008 0.000 1.195 192 A CA 1.119 53.145 52.037 -0.019 0.000 0.610 192 A CB -0.039 18.941 19.000 -0.033 0.000 0.837 192 A HN 0.411 nan 8.150 nan 0.000 0.444 193 K N -2.198 118.202 120.400 -0.001 0.000 3.162 193 K HA -0.196 4.124 4.320 -0.000 0.000 0.268 193 K C 0.776 177.379 176.600 0.006 0.000 1.062 193 K CA 0.362 56.652 56.287 0.005 0.000 0.769 193 K CB -2.048 30.455 32.500 0.004 0.000 1.274 193 K HN 1.641 nan 8.250 nan 0.000 0.478 194 G N -0.354 108.450 108.800 0.007 0.000 2.267 194 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.257 194 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.257 194 G C 0.920 175.824 174.900 0.006 0.000 0.998 194 G CA 0.643 45.749 45.100 0.010 0.000 0.620 194 G HN 0.443 nan 8.290 nan 0.000 0.529 195 R N -0.313 120.188 120.500 0.001 0.000 2.105 195 R HA 0.189 4.529 4.340 -0.000 0.000 0.239 195 R C 1.268 177.569 176.300 0.002 0.000 1.135 195 R CA 1.516 57.617 56.100 0.001 0.000 0.967 195 R CB 0.084 30.382 30.300 -0.002 0.000 0.861 195 R HN 0.577 nan 8.270 nan 0.000 0.442 196 I N 0.177 120.741 120.570 -0.010 0.000 2.569 196 I HA 0.155 4.325 4.170 -0.000 0.000 0.290 196 I C -0.904 175.199 176.117 -0.024 0.000 1.088 196 I CA -0.883 60.407 61.300 -0.017 0.000 1.047 196 I CB 2.007 39.979 38.000 -0.047 0.000 1.237 196 I HN -0.303 nan 8.210 nan 0.000 0.421 197 V N 7.781 127.689 119.914 -0.011 0.000 2.485 197 V HA 0.061 4.181 4.120 -0.000 0.000 0.287 197 V C 0.094 176.165 176.094 -0.039 0.000 1.022 197 V CA -0.135 62.159 62.300 -0.010 0.000 1.067 197 V CB 0.870 32.694 31.823 0.002 0.000 0.967 197 V HN 0.433 nan 8.190 nan 0.000 0.479 198 V N 7.740 127.634 119.914 -0.032 0.000 2.334 198 V HA 0.312 4.432 4.120 -0.000 0.000 0.267 198 V C 0.337 176.427 176.094 -0.007 0.000 1.040 198 V CA -0.180 62.093 62.300 -0.047 0.000 0.866 198 V CB 0.899 32.697 31.823 -0.043 0.000 1.019 198 V HN 0.789 nan 8.190 nan 0.000 0.468 199 M N 8.727 128.322 119.600 -0.009 0.000 2.108 199 M HA 0.369 4.849 4.480 -0.000 0.000 0.354 199 M C -2.417 173.920 176.300 0.063 0.000 1.229 199 M CA -1.674 53.645 55.300 0.031 0.000 1.081 199 M CB 1.664 34.268 32.600 0.008 0.000 1.606 199 M HN 0.299 nan 8.290 nan 0.000 0.467 200 P HA 0.155 nan 4.420 nan 0.000 0.275 200 P C -0.191 177.197 177.300 0.147 0.000 1.227 200 P CA 0.098 63.256 63.100 0.096 0.000 0.781 200 P CB 1.436 33.174 31.700 0.064 0.000 0.906 201 G N 1.926 110.809 108.800 0.139 0.000 2.619 201 G HA2 0.177 4.137 3.960 -0.000 0.000 0.201 201 G HA3 0.177 4.137 3.960 -0.000 0.000 0.201 201 G C 0.731 175.701 174.900 0.118 0.000 1.188 201 G CA 0.116 45.333 45.100 0.195 0.000 0.663 201 G HN 0.664 nan 8.290 nan 0.000 0.757 202 G N 0.940 109.794 108.800 0.091 0.000 2.230 202 G HA2 0.472 4.432 3.960 -0.000 0.000 0.282 202 G HA3 0.472 4.432 3.960 -0.000 0.000 0.282 202 G C 1.129 176.042 174.900 0.022 0.000 0.999 202 G CA 0.800 45.933 45.100 0.055 0.000 1.326 202 G HN 1.531 nan 8.290 nan 0.000 0.397 203 G N 1.908 110.709 108.800 0.003 0.000 2.367 203 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.295 203 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.295 203 G C 0.241 175.126 174.900 -0.024 0.000 1.019 203 G CA -0.057 45.034 45.100 -0.015 0.000 1.224 203 G HN 0.725 nan 8.290 nan 0.000 0.510 204 I N 0.300 120.852 120.570 -0.030 0.000 2.720 204 I HA 0.743 4.913 4.170 -0.000 0.000 0.287 204 I C 0.909 176.998 176.117 -0.045 0.000 1.090 204 I CA 0.685 61.959 61.300 -0.042 0.000 1.384 204 I CB 1.826 39.815 38.000 -0.017 0.000 1.420 204 I HN 0.423 nan 8.210 nan 0.000 0.575 205 T N 1.880 116.395 114.554 -0.065 0.000 2.786 205 T HA 0.226 4.576 4.350 -0.000 0.000 0.316 205 T C 0.201 174.862 174.700 -0.064 0.000 1.503 205 T CA -0.596 61.474 62.100 -0.050 0.000 1.019 205 T CB 0.790 69.635 68.868 -0.039 0.000 1.415 205 T HN 0.568 nan 8.240 nan 0.000 0.496 206 D N 1.636 122.009 120.400 -0.044 0.000 2.177 206 D HA -0.156 4.484 4.640 -0.000 0.000 0.189 206 D C 2.183 178.452 176.300 -0.051 0.000 1.002 206 D CA 1.438 55.412 54.000 -0.043 0.000 0.845 206 D CB -0.093 40.692 40.800 -0.025 0.000 0.960 206 D HN 0.441 nan 8.370 nan 0.000 0.447 207 R N 0.221 120.697 120.500 -0.041 0.000 2.140 207 R HA -0.109 4.231 4.340 -0.000 0.000 0.250 207 R C 0.525 176.796 176.300 -0.048 0.000 1.150 207 R CA 0.998 57.075 56.100 -0.038 0.000 0.966 207 R CB -0.685 29.596 30.300 -0.031 0.000 0.869 207 R HN 0.288 nan 8.270 nan 0.000 0.445 208 N N -0.282 118.380 118.700 -0.064 0.000 2.651 208 N HA 0.068 4.808 4.740 -0.000 0.000 0.277 208 N C 0.464 175.904 175.510 -0.118 0.000 1.787 208 N CA -0.025 52.979 53.050 -0.077 0.000 0.818 208 N CB 0.987 39.438 38.487 -0.061 0.000 1.316 208 N HN 0.079 nan 8.380 nan 0.000 0.503 209 L N 0.997 122.129 121.223 -0.152 0.000 2.044 209 L HA -0.126 4.213 4.340 -0.000 0.000 0.205 209 L C 2.358 179.063 176.870 -0.276 0.000 1.075 209 L CA 1.698 56.383 54.840 -0.258 0.000 0.747 209 L CB 0.127 42.007 42.059 -0.299 0.000 0.903 209 L HN 0.266 nan 8.230 nan 0.000 0.435 210 Q N -1.040 118.646 119.800 -0.190 0.000 2.172 210 Q HA -0.214 4.126 4.340 -0.000 0.000 0.200 210 Q C 2.243 178.168 176.000 -0.125 0.000 0.964 210 Q CA 0.977 56.686 55.803 -0.158 0.000 0.855 210 Q CB -0.551 28.134 28.738 -0.087 0.000 0.918 210 Q HN 0.412 nan 8.270 nan 0.000 0.444 211 R N 1.145 121.582 120.500 -0.104 0.000 2.189 211 R HA -0.063 4.277 4.340 -0.000 0.000 0.223 211 R C 2.135 178.384 176.300 -0.084 0.000 1.092 211 R CA 1.374 57.429 56.100 -0.076 0.000 0.989 211 R CB -0.102 30.162 30.300 -0.060 0.000 0.876 211 R HN 0.603 nan 8.270 nan 0.000 0.457 212 I N -2.737 117.760 120.570 -0.122 0.000 2.585 212 I HA -0.108 4.062 4.170 -0.000 0.000 0.254 212 I C 1.943 177.974 176.117 -0.144 0.000 1.129 212 I CA 0.619 61.848 61.300 -0.119 0.000 1.455 212 I CB -0.465 37.458 38.000 -0.127 0.000 1.111 212 I HN 0.013 nan 8.210 nan 0.000 0.433 213 L N 1.379 122.467 121.223 -0.225 0.000 2.005 213 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 213 L C 2.631 179.433 176.870 -0.113 0.000 1.072 213 L CA 1.713 56.392 54.840 -0.268 0.000 0.744 213 L CB -0.528 41.234 42.059 -0.494 0.000 0.895 213 L HN 0.234 nan 8.230 nan 0.000 0.433 214 E N -0.325 119.830 120.200 -0.074 0.000 2.338 214 E HA -0.116 4.234 4.350 -0.000 0.000 0.197 214 E C 2.081 178.671 176.600 -0.018 0.000 1.007 214 E CA 0.712 57.102 56.400 -0.016 0.000 0.849 214 E CB -0.120 29.574 29.700 -0.011 0.000 0.774 214 E HN 0.559 nan 8.360 nan 0.000 0.506 215 G N 0.971 109.748 108.800 -0.037 0.000 2.408 215 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.213 215 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.213 215 G C 1.741 176.631 174.900 -0.016 0.000 1.177 215 G CA 0.844 45.928 45.100 -0.027 0.000 0.802 215 G HN 0.365 nan 8.290 nan 0.000 0.533 216 S N -0.931 114.755 115.700 -0.024 0.000 2.441 216 S HA 0.366 4.836 4.470 -0.000 0.000 0.224 216 S C 1.843 176.450 174.600 0.010 0.000 1.043 216 S CA 1.198 59.393 58.200 -0.008 0.000 0.948 216 S CB -0.011 63.181 63.200 -0.014 0.000 0.810 216 S HN 1.576 nan 8.310 nan 0.000 0.504 217 G N 1.436 110.245 108.800 0.015 0.000 2.132 217 G HA2 0.020 3.980 3.960 -0.000 0.000 0.228 217 G HA3 0.020 3.980 3.960 -0.000 0.000 0.228 217 G C 0.172 175.128 174.900 0.093 0.000 1.000 217 G CA -0.044 45.094 45.100 0.064 0.000 0.693 217 G HN 1.175 nan 8.290 nan 0.000 0.515 218 A N -0.600 122.244 122.820 0.039 0.000 2.351 218 A HA 0.753 5.072 4.320 -0.000 0.000 0.257 218 A C 1.458 179.134 177.584 0.155 0.000 1.087 218 A CA 1.195 53.269 52.037 0.060 0.000 0.798 218 A CB 0.487 19.497 19.000 0.016 0.000 1.033 218 A HN 0.830 nan 8.150 nan 0.000 0.488 219 T N 0.574 115.264 114.554 0.227 0.000 3.033 219 T HA 0.144 4.494 4.350 -0.000 0.000 0.248 219 T C 0.412 175.315 174.700 0.339 0.000 1.040 219 T CA 0.802 63.155 62.100 0.421 0.000 1.133 219 T CB -0.015 69.003 68.868 0.250 0.000 0.895 219 T HN 0.729 nan 8.240 nan 0.000 0.465 220 E N 1.146 121.444 120.200 0.163 0.000 2.187 220 E HA 0.576 4.926 4.350 -0.000 0.000 0.268 220 E C -1.434 175.218 176.600 0.087 0.000 0.896 220 E CA -0.896 55.535 56.400 0.051 0.000 0.766 220 E CB 1.820 31.507 29.700 -0.022 0.000 1.142 220 E HN 0.414 nan 8.360 nan 0.000 0.408 221 F N -0.294 119.639 119.950 -0.028 0.000 2.599 221 F HA 0.606 5.133 4.527 -0.000 0.000 0.311 221 F C -0.937 174.890 175.800 0.046 0.000 1.076 221 F CA -1.245 56.743 58.000 -0.020 0.000 0.937 221 F CB 1.238 40.185 39.000 -0.088 0.000 1.282 221 F HN 0.380 nan 8.300 nan 0.000 0.460 222 H N 1.842 120.978 119.070 0.110 0.000 2.547 222 H HA 0.705 5.261 4.556 -0.000 0.000 0.342 222 H C -0.854 174.545 175.328 0.119 0.000 1.048 222 H CA -0.966 55.097 56.048 0.026 0.000 1.204 222 H CB 1.396 31.158 29.762 -0.000 0.000 1.493 222 H HN 1.172 nan 8.280 nan 0.000 0.511 223 C N 2.646 121.770 119.300 -0.294 0.000 3.235 223 C HA 0.753 5.213 4.460 -0.000 0.000 0.351 223 C C 1.065 175.867 174.990 -0.314 0.000 1.520 223 C CA 0.159 59.045 59.018 -0.220 0.000 1.474 223 C CB 1.419 29.177 27.740 0.031 0.000 2.019 223 C HN 0.838 nan 8.230 nan 0.000 0.446 224 S N -0.300 115.307 115.700 -0.155 0.000 2.641 224 S HA 0.468 4.938 4.470 -0.000 0.000 0.239 224 S C 1.396 175.969 174.600 -0.045 0.000 1.081 224 S CA 1.086 59.223 58.200 -0.105 0.000 0.904 224 S CB -0.590 62.564 63.200 -0.076 0.000 0.803 224 S HN 2.744 nan 8.310 nan 0.000 0.510 225 A N 1.549 124.353 122.820 -0.027 0.000 2.799 225 A HA -0.223 4.097 4.320 -0.000 0.000 0.287 225 A C 0.471 178.053 177.584 -0.003 0.000 1.484 225 A CA 1.062 53.095 52.037 -0.006 0.000 0.813 225 A CB -2.125 16.879 19.000 0.006 0.000 1.009 225 A HN 0.599 nan 8.150 nan 0.000 0.545 226 R N -0.477 120.019 120.500 -0.007 0.000 2.553 226 R HA 0.738 5.078 4.340 -0.000 0.000 0.263 226 R C -0.080 176.221 176.300 0.001 0.000 1.066 226 R CA 0.213 56.313 56.100 -0.001 0.000 1.135 226 R CB 1.120 31.419 30.300 -0.002 0.000 1.148 226 R HN 0.428 nan 8.270 nan 0.000 0.558 227 S N -0.491 115.212 115.700 0.004 0.000 2.541 227 S HA 0.254 4.724 4.470 -0.000 0.000 0.271 227 S C -1.126 173.478 174.600 0.008 0.000 1.133 227 S CA -0.819 57.384 58.200 0.005 0.000 0.876 227 S CB 2.295 65.499 63.200 0.006 0.000 1.105 227 S HN 0.463 nan 8.310 nan 0.000 0.470 228 T N 3.695 118.254 114.554 0.008 0.000 2.749 228 T HA 0.397 4.747 4.350 -0.000 0.000 0.295 228 T C -0.002 174.707 174.700 0.014 0.000 0.936 228 T CA -0.617 61.490 62.100 0.011 0.000 1.060 228 T CB 0.157 69.031 68.868 0.012 0.000 0.904 228 T HN 0.275 nan 8.240 nan 0.000 0.500 229 R N 2.381 122.891 120.500 0.017 0.000 2.643 229 R HA 0.462 4.802 4.340 -0.000 0.000 0.272 229 R C -0.533 175.784 176.300 0.027 0.000 0.995 229 R CA -0.912 55.200 56.100 0.020 0.000 1.032 229 R CB 0.972 31.284 30.300 0.020 0.000 1.126 229 R HN 0.589 nan 8.270 nan 0.000 0.505 230 D N -0.355 120.061 120.400 0.027 0.000 2.177 230 D HA 0.078 4.718 4.640 -0.000 0.000 0.247 230 D C -0.264 176.065 176.300 0.049 0.000 1.063 230 D CA 0.013 54.035 54.000 0.036 0.000 0.867 230 D CB 1.171 41.983 40.800 0.020 0.000 1.168 230 D HN 0.308 nan 8.370 nan 0.000 0.445 231 S N 1.857 117.607 115.700 0.083 0.000 2.558 231 S HA 0.158 4.628 4.470 -0.000 0.000 0.291 231 S C 1.597 176.245 174.600 0.079 0.000 1.306 231 S CA 0.158 58.424 58.200 0.109 0.000 1.056 231 S CB 0.674 64.011 63.200 0.229 0.000 0.836 231 S HN 0.607 nan 8.310 nan 0.000 0.504 232 G N 4.214 113.058 108.800 0.073 0.000 2.744 232 G HA2 0.025 3.984 3.960 -0.000 0.000 0.211 232 G HA3 0.025 3.984 3.960 -0.000 0.000 0.211 232 G C 0.560 175.500 174.900 0.066 0.000 1.143 232 G CA -0.051 45.082 45.100 0.055 0.000 0.788 232 G HN 0.610 nan 8.290 nan 0.000 0.534 233 M N 0.850 120.512 119.600 0.104 0.000 2.303 233 M HA 0.130 4.610 4.480 -0.000 0.000 0.350 233 M C 1.000 177.335 176.300 0.057 0.000 1.518 233 M CA 0.528 55.905 55.300 0.127 0.000 1.070 233 M CB 0.982 33.737 32.600 0.259 0.000 1.910 233 M HN 0.085 nan 8.290 nan 0.000 0.458 234 K N 2.499 122.943 120.400 0.073 0.000 2.314 234 K HA 0.073 4.393 4.320 -0.000 0.000 0.198 234 K C 0.283 176.925 176.600 0.068 0.000 1.045 234 K CA 0.470 56.784 56.287 0.045 0.000 0.988 234 K CB 0.404 32.937 32.500 0.055 0.000 0.783 234 K HN 0.456 nan 8.250 nan 0.000 0.484 235 F N 1.848 121.783 119.950 -0.024 0.000 2.422 235 F HA 0.329 4.856 4.527 -0.000 0.000 0.333 235 F C -0.301 175.473 175.800 -0.043 0.000 1.095 235 F CA -0.674 57.310 58.000 -0.027 0.000 1.038 235 F CB 0.822 39.827 39.000 0.009 0.000 1.156 235 F HN -0.258 nan 8.300 nan 0.000 0.483 236 R N 3.759 123.642 120.500 -1.027 0.000 2.817 236 R HA 0.444 4.784 4.340 -0.000 0.000 0.268 236 R C -1.569 174.259 176.300 -0.788 0.000 1.027 236 R CA -1.361 54.274 56.100 -0.775 0.000 0.928 236 R CB 2.124 31.889 30.300 -0.892 0.000 1.228 236 R HN 0.705 nan 8.270 nan 0.000 0.469 237 N N -0.479 118.073 118.700 -0.247 0.000 2.708 237 N HA 0.119 4.859 4.740 -0.000 0.000 0.257 237 N C -1.797 173.727 175.510 0.024 0.000 1.373 237 N CA -0.337 52.638 53.050 -0.125 0.000 0.843 237 N CB 2.677 41.144 38.487 -0.033 0.000 1.503 237 N HN 0.397 nan 8.380 nan 0.000 0.504 238 S N 0.967 116.671 115.700 0.007 0.000 2.488 238 S HA 0.513 4.983 4.470 -0.000 0.000 0.310 238 S C -0.885 173.731 174.600 0.027 0.000 1.093 238 S CA -0.254 57.962 58.200 0.027 0.000 1.129 238 S CB -0.283 62.921 63.200 0.007 0.000 0.989 238 S HN 0.540 nan 8.310 nan 0.000 0.479 252 S N 1.072 116.828 115.700 0.094 0.000 2.654 252 S HA 0.856 5.326 4.470 -0.000 0.000 0.283 252 S C -0.772 173.848 174.600 0.033 0.000 1.180 252 S CA -0.523 57.713 58.200 0.059 0.000 1.021 252 S CB 2.142 65.367 63.200 0.041 0.000 1.018 252 S HN 0.222 nan 8.310 nan 0.000 0.532 253 L N 0.990 122.230 121.223 0.029 0.000 2.438 253 L HA 0.492 4.832 4.340 -0.000 0.000 0.270 253 L C -0.663 176.217 176.870 0.015 0.000 0.972 253 L CA -0.536 54.316 54.840 0.019 0.000 0.831 253 L CB 2.231 44.304 42.059 0.023 0.000 1.273 253 L HN 0.689 nan 8.230 nan 0.000 0.405 254 K N 3.284 123.690 120.400 0.011 0.000 2.292 254 K HA 0.594 4.914 4.320 -0.000 0.000 0.270 254 K C -1.145 175.461 176.600 0.010 0.000 1.062 254 K CA -0.410 55.883 56.287 0.009 0.000 0.916 254 K CB 1.700 34.204 32.500 0.007 0.000 1.166 254 K HN 0.222 nan 8.250 nan 0.000 0.458 255 V N 2.128 122.048 119.914 0.010 0.000 2.604 255 V HA 0.235 4.355 4.120 -0.000 0.000 0.305 255 V C 0.127 176.227 176.094 0.010 0.000 1.043 255 V CA -1.083 61.223 62.300 0.011 0.000 0.888 255 V CB 1.939 33.769 31.823 0.012 0.000 0.995 255 V HN 0.694 nan 8.190 nan 0.000 0.429 256 T N 3.250 117.810 114.554 0.010 0.000 2.902 256 T HA 0.057 4.407 4.350 -0.000 0.000 0.301 256 T C -0.148 174.558 174.700 0.011 0.000 1.012 256 T CA 0.349 62.455 62.100 0.009 0.000 1.151 256 T CB 0.220 69.095 68.868 0.011 0.000 0.946 256 T HN 0.731 nan 8.240 nan 0.000 0.542 257 D N 2.288 122.694 120.400 0.010 0.000 2.198 257 D HA 0.222 4.862 4.640 -0.000 0.000 0.245 257 D C 1.210 177.518 176.300 0.013 0.000 1.079 257 D CA -0.498 53.508 54.000 0.011 0.000 0.854 257 D CB 1.690 42.495 40.800 0.009 0.000 1.148 257 D HN 0.202 nan 8.370 nan 0.000 0.456 258 V N 3.189 123.111 119.914 0.014 0.000 2.223 258 V HA -0.234 3.886 4.120 -0.000 0.000 0.244 258 V C 2.564 178.668 176.094 0.017 0.000 1.045 258 V CA 2.176 64.485 62.300 0.016 0.000 1.000 258 V CB -1.115 30.717 31.823 0.015 0.000 0.635 258 V HN 0.732 nan 8.190 nan 0.000 0.445 259 T N -0.711 113.852 114.554 0.015 0.000 2.849 259 T HA -0.250 4.100 4.350 -0.000 0.000 0.270 259 T C 1.836 176.545 174.700 0.016 0.000 1.066 259 T CA 1.926 64.035 62.100 0.015 0.000 1.130 259 T CB -0.289 68.586 68.868 0.012 0.000 0.864 259 T HN 0.509 nan 8.240 nan 0.000 0.481 260 K N -0.053 120.356 120.400 0.015 0.000 2.228 260 K HA 0.086 4.406 4.320 -0.000 0.000 0.202 260 K C 2.131 178.745 176.600 0.024 0.000 1.051 260 K CA 0.742 57.038 56.287 0.015 0.000 0.960 260 K CB 0.087 32.593 32.500 0.010 0.000 0.743 260 K HN 0.233 nan 8.250 nan 0.000 0.458 261 V N 1.004 120.935 119.914 0.027 0.000 2.488 261 V HA -0.149 3.971 4.120 -0.000 0.000 0.246 261 V C 2.026 178.148 176.094 0.047 0.000 1.046 261 V CA 1.382 63.705 62.300 0.039 0.000 1.053 261 V CB -0.359 31.483 31.823 0.031 0.000 0.679 261 V HN 0.228 nan 8.190 nan 0.000 0.458 262 R N -0.171 120.351 120.500 0.036 0.000 2.073 262 R HA -0.151 4.189 4.340 -0.000 0.000 0.234 262 R C 2.471 178.794 176.300 0.039 0.000 1.134 262 R CA 1.846 57.968 56.100 0.037 0.000 0.952 262 R CB -0.785 29.531 30.300 0.027 0.000 0.850 262 R HN 0.401 nan 8.270 nan 0.000 0.433 263 T N 0.600 115.172 114.554 0.030 0.000 3.007 263 T HA 0.026 4.376 4.350 -0.000 0.000 0.270 263 T C 1.634 176.349 174.700 0.025 0.000 1.107 263 T CA 0.698 62.812 62.100 0.023 0.000 1.118 263 T CB 0.037 68.913 68.868 0.013 0.000 0.889 263 T HN 0.088 nan 8.240 nan 0.000 0.506 264 L N 0.569 121.817 121.223 0.041 0.000 2.084 264 L HA 0.120 4.460 4.340 -0.000 0.000 0.202 264 L C 2.725 179.653 176.870 0.096 0.000 1.074 264 L CA 1.011 55.884 54.840 0.054 0.000 0.757 264 L CB -0.492 41.621 42.059 0.091 0.000 0.918 264 L HN 0.290 nan 8.230 nan 0.000 0.444 265 N N 0.353 119.127 118.700 0.124 0.000 2.166 265 N HA -0.208 4.532 4.740 -0.000 0.000 0.186 265 N C 1.829 177.410 175.510 0.118 0.000 1.019 265 N CA 1.313 54.454 53.050 0.152 0.000 0.856 265 N CB 0.170 38.725 38.487 0.114 0.000 0.993 265 N HN 0.314 nan 8.380 nan 0.000 0.426 266 A N 1.930 124.796 122.820 0.077 0.000 1.877 266 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 266 A C 2.171 179.790 177.584 0.058 0.000 1.186 266 A CA 1.483 53.556 52.037 0.060 0.000 0.620 266 A CB -0.811 18.213 19.000 0.040 0.000 0.822 266 A HN 0.590 nan 8.150 nan 0.000 0.443 267 I N -3.651 116.945 120.570 0.043 0.000 3.291 267 I HA 0.234 4.404 4.170 -0.000 0.000 0.279 267 I C 1.887 178.024 176.117 0.034 0.000 1.294 267 I CA 1.054 62.369 61.300 0.024 0.000 1.428 267 I CB -0.001 37.995 38.000 -0.007 0.000 1.070 267 I HN 0.144 nan 8.210 nan 0.000 0.478 268 A N 1.214 124.082 122.820 0.079 0.000 2.095 268 A HA 0.020 4.340 4.320 -0.000 0.000 0.212 268 A C 2.387 180.155 177.584 0.306 0.000 1.162 268 A CA 0.637 52.772 52.037 0.164 0.000 0.753 268 A CB -0.261 18.878 19.000 0.232 0.000 0.840 268 A HN 0.455 nan 8.150 nan 0.000 0.468 269 K N 1.335 121.845 120.400 0.184 0.000 1.980 269 K HA -0.100 4.220 4.320 -0.000 0.000 0.208 269 K C 0.132 176.786 176.600 0.089 0.000 1.043 269 K CA 1.357 57.721 56.287 0.130 0.000 0.938 269 K CB -0.236 32.313 32.500 0.082 0.000 0.724 269 K HN 0.621 nan 8.250 nan 0.000 0.438 270 N N 2.188 120.931 118.700 0.071 0.000 3.322 270 N HA 0.137 4.877 4.740 -0.000 0.000 0.290 270 N C -0.194 175.352 175.510 0.059 0.000 1.297 270 N CA -0.088 52.990 53.050 0.047 0.000 1.167 270 N CB -0.061 38.444 38.487 0.030 0.000 1.434 270 N HN 0.300 nan 8.380 nan 0.000 0.526 271 I N 0.000 120.625 120.570 0.092 0.000 2.984 271 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 271 I CA 0.000 61.363 61.300 0.104 0.000 1.566 271 I CB 0.000 38.076 38.000 0.127 0.000 1.214 271 I HN 0.000 nan 8.210 nan 0.000 0.494