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 3p40_1_A DATA FIRST_RESID 37 DATA SEQUENCE LTQPPTITKQ SAKDHIVDPR DNILIEcEAK GNPAPSFHWT RNSRFFNIAK DATA SEQUENCE DPRVSMRRRS GTLVIDFRSG GRPEEYEGEY QcFARNKFGT ALSNRIRLQV DATA SEQUENCE SKSPLWPKEN LDPVVVQEGA PLTLQcNPPP GLPSPVIFWM SSSMEPITQD DATA SEQUENCE KRVSQGHNGD LYFSNVMLQD MQTDYScNAR FHFTHTIQQK NPFTLKVLTT DATA SEQUENCE RGVAERTPSF MYPQGTASSQ MVLRGMDLLL EcIASGVPTP DIAWYKKGGD DATA SEQUENCE LPSDKAKFEN FNKALRITNV SEEDSGEYFc LASNKMGSIR HTISVRVKAA DATA SEQUENCE PYWLDEPKNL ILAPGEDGRL VcRANGNPKP TVQWMVNGEP LQSAPPNPNR DATA SEQUENCE EVAGDTIIFR DTQISSRAVY QcNTSNEHGY LLANAFVSVL 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 37 L HA 0.000 nan 4.340 nan 0.000 0.249 37 L C 0.000 176.801 176.870 -0.116 0.000 1.165 37 L CA 0.000 54.805 54.840 -0.059 0.000 0.813 37 L CB 0.000 42.032 42.059 -0.046 0.000 0.961 38 T N 1.694 116.186 114.554 -0.102 0.000 3.044 38 T HA -0.205 4.146 4.350 0.002 0.000 0.450 38 T C -0.536 173.912 174.700 -0.420 0.000 0.774 38 T CA 1.741 63.723 62.100 -0.196 0.000 2.290 38 T CB -0.746 68.007 68.868 -0.192 0.000 1.648 38 T HN 0.894 nan 8.240 nan 0.000 0.569 39 Q N 3.289 122.874 119.800 -0.358 0.000 2.377 39 Q HA 0.597 4.938 4.340 0.002 0.000 0.279 39 Q C -3.137 172.696 176.000 -0.279 0.000 1.049 39 Q CA -2.166 53.350 55.803 -0.479 0.000 0.825 39 Q CB 2.285 30.769 28.738 -0.423 0.000 1.401 39 Q HN 0.297 nan 8.270 nan 0.000 0.404 40 P HA 0.244 nan 4.420 nan 0.000 0.272 40 P C -2.587 174.793 177.300 0.133 0.000 1.230 40 P CA -0.889 62.222 63.100 0.018 0.000 0.788 40 P CB -0.062 31.647 31.700 0.015 0.000 0.949 41 P HA 0.045 nan 4.420 nan 0.000 0.266 41 P C -0.770 176.668 177.300 0.229 0.000 1.193 41 P CA 0.650 63.847 63.100 0.162 0.000 0.770 41 P CB 0.137 31.892 31.700 0.092 0.000 0.836 42 T N 2.223 116.887 114.554 0.184 0.000 2.985 42 T HA 0.442 4.793 4.350 0.002 0.000 0.315 42 T C 0.168 174.926 174.700 0.096 0.000 1.001 42 T CA -0.539 61.641 62.100 0.133 0.000 1.016 42 T CB -0.022 68.934 68.868 0.148 0.000 0.993 42 T HN 0.160 nan 8.240 nan 0.000 0.454 43 I N 2.797 123.408 120.570 0.069 0.000 2.598 43 I HA 0.062 4.233 4.170 0.002 0.000 0.284 43 I C 1.450 177.599 176.117 0.053 0.000 1.140 43 I CA 0.113 61.455 61.300 0.070 0.000 1.420 43 I CB 0.699 38.725 38.000 0.044 0.000 1.387 43 I HN 0.675 nan 8.210 nan 0.000 0.553 44 T N 4.323 118.915 114.554 0.063 0.000 2.953 44 T HA 0.043 4.394 4.350 0.002 0.000 0.247 44 T C 0.621 175.346 174.700 0.041 0.000 1.029 44 T CA 0.517 62.647 62.100 0.050 0.000 1.144 44 T CB 0.185 69.088 68.868 0.058 0.000 0.870 44 T HN 0.531 nan 8.240 nan 0.000 0.446 45 K N 1.355 121.780 120.400 0.042 0.000 2.523 45 K HA 0.382 4.704 4.320 0.002 0.000 0.257 45 K C -1.797 174.823 176.600 0.034 0.000 0.932 45 K CA -0.671 55.637 56.287 0.036 0.000 0.812 45 K CB 1.935 34.457 32.500 0.036 0.000 1.326 45 K HN 0.344 nan 8.250 nan 0.000 0.433 46 Q N 0.811 120.631 119.800 0.033 0.000 2.590 46 Q HA 0.434 4.775 4.340 0.002 0.000 0.295 46 Q C -1.238 174.770 176.000 0.014 0.000 0.973 46 Q CA -1.024 54.800 55.803 0.035 0.000 0.768 46 Q CB 1.533 30.292 28.738 0.035 0.000 1.479 46 Q HN 0.402 nan 8.270 nan 0.000 0.419 47 S N 0.234 115.922 115.700 -0.021 0.000 2.614 47 S HA 0.611 5.082 4.470 0.002 0.000 0.265 47 S C -0.021 174.526 174.600 -0.088 0.000 1.303 47 S CA -0.074 58.045 58.200 -0.135 0.000 1.000 47 S CB 0.974 63.904 63.200 -0.450 0.000 0.935 47 S HN 0.674 nan 8.310 nan 0.000 0.551 48 A N 1.299 124.080 122.820 -0.064 0.000 2.406 48 A HA 0.252 4.573 4.320 0.002 0.000 0.243 48 A C 1.032 178.626 177.584 0.015 0.000 1.082 48 A CA -0.047 51.999 52.037 0.015 0.000 0.786 48 A CB 0.024 19.071 19.000 0.078 0.000 1.029 48 A HN 0.846 nan 8.150 nan 0.000 0.495 49 K N -0.044 120.373 120.400 0.029 0.000 2.057 49 K HA -0.074 4.247 4.320 0.002 0.000 0.206 49 K C 0.024 176.655 176.600 0.052 0.000 1.050 49 K CA 1.716 58.029 56.287 0.043 0.000 0.935 49 K CB -0.009 32.493 32.500 0.004 0.000 0.715 49 K HN 0.742 nan 8.250 nan 0.000 0.439 50 D N 0.181 120.609 120.400 0.047 0.000 2.485 50 D HA 0.028 4.669 4.640 0.002 0.000 0.221 50 D C -1.349 175.004 176.300 0.089 0.000 1.112 50 D CA -0.341 53.687 54.000 0.047 0.000 0.911 50 D CB 0.168 40.980 40.800 0.020 0.000 1.019 50 D HN 0.049 nan 8.370 nan 0.000 0.516 51 H N 4.808 123.845 119.070 -0.056 0.000 2.872 51 H HA 0.253 4.810 4.556 0.002 0.000 0.273 51 H C -0.289 174.952 175.328 -0.145 0.000 1.205 51 H CA -0.828 55.169 56.048 -0.085 0.000 1.342 51 H CB -0.152 29.551 29.762 -0.099 0.000 1.469 51 H HN 0.289 nan 8.280 nan 0.000 0.487 52 I N 3.894 124.290 120.570 -0.289 0.000 2.412 52 I HA 0.554 4.726 4.170 0.002 0.000 0.296 52 I C -0.650 175.010 176.117 -0.761 0.000 0.987 52 I CA -1.149 59.878 61.300 -0.455 0.000 1.180 52 I CB 0.798 38.555 38.000 -0.404 0.000 1.340 52 I HN 0.240 nan 8.210 nan 0.000 0.455 53 V N 2.146 121.659 119.914 -0.669 0.000 3.007 53 V HA 0.663 4.785 4.120 0.002 0.000 0.311 53 V C -0.710 175.134 176.094 -0.416 0.000 1.120 53 V CA -0.767 61.183 62.300 -0.583 0.000 0.980 53 V CB 1.911 33.507 31.823 -0.380 0.000 1.033 53 V HN 0.893 nan 8.190 nan 0.000 0.429 54 D N 1.511 121.779 120.400 -0.220 0.000 2.340 54 D HA 0.486 5.127 4.640 0.002 0.000 0.251 54 D C -2.215 174.046 176.300 -0.066 0.000 1.080 54 D CA -2.275 51.671 54.000 -0.089 0.000 0.971 54 D CB 1.434 42.274 40.800 0.066 0.000 1.137 54 D HN 0.316 nan 8.370 nan 0.000 0.475 55 P HA -0.042 nan 4.420 nan 0.000 0.221 55 P C 1.488 178.777 177.300 -0.018 0.000 1.150 55 P CA 0.859 63.915 63.100 -0.074 0.000 0.800 55 P CB 0.194 31.834 31.700 -0.099 0.000 0.787 56 R N 0.301 120.802 120.500 0.001 0.000 2.082 56 R HA -0.106 4.235 4.340 0.002 0.000 0.234 56 R C 0.240 176.566 176.300 0.044 0.000 1.136 56 R CA 1.674 57.787 56.100 0.023 0.000 0.935 56 R CB -0.672 29.646 30.300 0.030 0.000 0.842 56 R HN 0.141 nan 8.270 nan 0.000 0.430 57 D N 0.303 120.731 120.400 0.047 0.000 2.447 57 D HA 0.056 4.697 4.640 0.002 0.000 0.265 57 D C -0.193 176.150 176.300 0.072 0.000 1.250 57 D CA -0.228 53.799 54.000 0.045 0.000 1.046 57 D CB 0.279 41.101 40.800 0.036 0.000 1.095 57 D HN 0.401 nan 8.370 nan 0.000 0.555 58 N N -0.383 118.320 118.700 0.004 0.000 2.485 58 N HA 0.287 5.028 4.740 0.002 0.000 0.280 58 N C -0.543 174.929 175.510 -0.064 0.000 1.205 58 N CA -0.683 52.311 53.050 -0.095 0.000 0.959 58 N CB 1.274 39.617 38.487 -0.239 0.000 1.206 58 N HN 0.171 nan 8.380 nan 0.000 0.545 59 I N 1.100 121.601 120.570 -0.115 0.000 2.441 59 I HA 0.192 4.364 4.170 0.002 0.000 0.287 59 I C 0.040 176.138 176.117 -0.031 0.000 1.049 59 I CA -0.350 60.935 61.300 -0.025 0.000 1.381 59 I CB 0.674 38.711 38.000 0.062 0.000 1.409 59 I HN 0.527 nan 8.210 nan 0.000 0.523 60 L N 8.505 129.745 121.223 0.028 0.000 2.481 60 L HA 0.446 4.787 4.340 0.002 0.000 0.255 60 L C -0.500 176.426 176.870 0.094 0.000 1.192 60 L CA -0.261 54.603 54.840 0.041 0.000 0.924 60 L CB 0.740 42.824 42.059 0.042 0.000 1.179 60 L HN 0.415 nan 8.230 nan 0.000 0.491 61 I N 2.761 123.327 120.570 -0.006 0.000 2.352 61 I HA 0.205 4.376 4.170 0.002 0.000 0.290 61 I C 0.544 176.664 176.117 0.005 0.000 1.036 61 I CA -0.195 61.048 61.300 -0.095 0.000 1.336 61 I CB 1.010 38.803 38.000 -0.345 0.000 1.407 61 I HN 0.449 nan 8.210 nan 0.000 0.497 62 E N 4.864 125.100 120.200 0.061 0.000 2.232 62 E HA 0.566 4.917 4.350 0.002 0.000 0.265 62 E C -0.988 175.756 176.600 0.239 0.000 1.001 62 E CA -0.781 55.697 56.400 0.130 0.000 0.870 62 E CB 2.460 32.195 29.700 0.058 0.000 1.175 62 E HN 0.600 nan 8.360 nan 0.000 0.407 63 c N 2.140 120.819 118.600 0.131 0.000 3.033 63 c HA 0.081 4.652 4.570 0.002 0.000 0.385 63 c C -1.331 172.693 174.090 -0.110 0.000 0.945 63 c CA -0.362 55.976 56.329 0.015 0.000 1.252 63 c CB -0.593 41.867 42.510 -0.083 0.000 1.553 63 c HN 0.727 nan 8.230 nan 0.000 0.563 64 E N 2.898 123.081 120.200 -0.029 0.000 2.231 64 E HA 0.693 5.044 4.350 0.002 0.000 0.277 64 E C 0.287 176.946 176.600 0.099 0.000 0.999 64 E CA -0.182 56.215 56.400 -0.004 0.000 0.827 64 E CB 2.174 31.891 29.700 0.028 0.000 1.101 64 E HN 0.775 nan 8.360 nan 0.000 0.393 65 A N 3.185 126.136 122.820 0.219 0.000 2.869 65 A HA 0.767 5.089 4.320 0.002 0.000 0.244 65 A C -0.523 177.176 177.584 0.192 0.000 1.374 65 A CA -0.419 51.787 52.037 0.283 0.000 0.913 65 A CB 1.315 20.612 19.000 0.495 0.000 1.589 65 A HN 0.516 nan 8.150 nan 0.000 0.485 66 K N -1.851 118.650 120.400 0.168 0.000 2.609 66 K HA 0.491 4.812 4.320 0.002 0.000 0.261 66 K C -1.104 175.567 176.600 0.119 0.000 0.945 66 K CA 0.299 56.663 56.287 0.129 0.000 0.898 66 K CB 1.630 34.198 32.500 0.114 0.000 1.349 66 K HN 2.041 nan 8.250 nan 0.000 0.420 67 G N 2.018 110.874 108.800 0.093 0.000 2.322 67 G HA2 -0.012 3.949 3.960 0.002 0.000 0.289 67 G HA3 -0.012 3.949 3.960 0.002 0.000 0.289 67 G C -0.453 174.480 174.900 0.054 0.000 1.687 67 G CA -0.738 44.404 45.100 0.071 0.000 0.944 67 G HN 0.650 nan 8.290 nan 0.000 0.718 68 N N 0.123 118.844 118.700 0.035 0.000 2.142 68 N HA -0.022 4.719 4.740 0.002 0.000 0.186 68 N C -1.585 173.954 175.510 0.050 0.000 1.023 68 N CA 0.607 53.678 53.050 0.035 0.000 0.852 68 N CB -0.156 38.341 38.487 0.016 0.000 0.998 68 N HN 0.261 nan 8.380 nan 0.000 0.424 69 P HA 0.116 nan 4.420 nan 0.000 0.268 69 P C -1.087 176.237 177.300 0.039 0.000 1.485 69 P CA 0.024 63.174 63.100 0.084 0.000 1.102 69 P CB 0.572 32.389 31.700 0.195 0.000 1.501 70 A N 5.869 128.702 122.820 0.022 0.000 2.538 70 A HA -0.054 4.268 4.320 0.002 0.000 0.282 70 A C -1.706 175.845 177.584 -0.055 0.000 0.945 70 A CA -0.346 51.694 52.037 0.005 0.000 1.041 70 A CB -1.233 17.775 19.000 0.014 0.000 0.791 70 A HN 0.354 nan 8.150 nan 0.000 0.445 71 P HA 0.316 nan 4.420 nan 0.000 0.276 71 P C -0.170 176.797 177.300 -0.555 0.000 1.230 71 P CA -0.128 62.786 63.100 -0.310 0.000 0.776 71 P CB 1.248 32.742 31.700 -0.343 0.000 0.888 72 S N 2.282 117.686 115.700 -0.493 0.000 2.509 72 S HA 0.737 5.208 4.470 0.002 0.000 0.297 72 S C -0.692 173.622 174.600 -0.478 0.000 1.118 72 S CA -0.610 57.371 58.200 -0.365 0.000 1.074 72 S CB 0.431 63.562 63.200 -0.114 0.000 1.038 72 S HN 0.146 nan 8.310 nan 0.000 0.498 73 F N 1.689 121.717 119.950 0.131 0.000 2.523 73 F HA 0.648 5.176 4.527 0.002 0.000 0.329 73 F C 0.600 176.552 175.800 0.253 0.000 1.061 73 F CA -0.604 57.479 58.000 0.138 0.000 0.967 73 F CB 1.599 40.633 39.000 0.057 0.000 1.218 73 F HN 0.882 nan 8.300 nan 0.000 0.480 74 H N -0.621 118.598 119.070 0.249 0.000 3.137 74 H HA 0.218 4.776 4.556 0.002 0.000 0.336 74 H C -2.111 173.327 175.328 0.184 0.000 1.055 74 H CA -1.414 54.802 56.048 0.280 0.000 1.349 74 H CB 0.195 30.131 29.762 0.291 0.000 1.939 74 H HN 0.686 nan 8.280 nan 0.000 0.487 75 W N 2.261 123.621 121.300 0.099 0.000 2.181 75 W HA 0.522 5.183 4.660 0.002 0.000 0.415 75 W C 0.412 176.861 176.519 -0.116 0.000 1.689 75 W CA 0.079 57.421 57.345 -0.005 0.000 1.859 75 W CB 0.748 30.211 29.460 0.004 0.000 1.425 75 W HN 0.746 nan 8.180 nan 0.000 0.713 76 T N -1.642 112.996 114.554 0.141 0.000 3.233 76 T HA 0.293 4.644 4.350 0.002 0.000 0.324 76 T C -0.670 173.940 174.700 -0.150 0.000 0.992 76 T CA -0.936 61.177 62.100 0.022 0.000 1.414 76 T CB 0.160 69.062 68.868 0.057 0.000 0.935 76 T HN 0.425 nan 8.240 nan 0.000 0.544 77 R N 2.993 123.244 120.500 -0.415 0.000 2.483 77 R HA 0.154 4.496 4.340 0.002 0.000 0.329 77 R C 0.252 176.416 176.300 -0.226 0.000 0.961 77 R CA 0.685 56.376 56.100 -0.682 0.000 1.041 77 R CB -0.261 29.640 30.300 -0.664 0.000 0.930 77 R HN 0.818 nan 8.270 nan 0.000 0.413 78 N N 0.841 119.471 118.700 -0.116 0.000 1.476 78 N HA -0.238 4.503 4.740 0.002 0.000 0.130 78 N C -0.414 175.114 175.510 0.030 0.000 0.863 78 N CA 1.516 54.567 53.050 0.002 0.000 0.896 78 N CB -0.956 37.534 38.487 0.005 0.000 1.018 78 N HN 0.490 nan 8.380 nan 0.000 0.624 79 S N 0.974 116.699 115.700 0.042 0.000 2.768 79 S HA 0.296 4.767 4.470 0.002 0.000 0.246 79 S C 0.167 174.806 174.600 0.065 0.000 1.006 79 S CA 0.204 58.440 58.200 0.059 0.000 1.075 79 S CB -0.461 62.770 63.200 0.052 0.000 0.786 79 S HN 0.224 nan 8.310 nan 0.000 0.468 80 R N -0.366 120.173 120.500 0.065 0.000 2.781 80 R HA 0.379 4.721 4.340 0.002 0.000 0.269 80 R C -1.250 175.135 176.300 0.141 0.000 1.025 80 R CA -0.892 55.266 56.100 0.096 0.000 0.914 80 R CB 0.930 31.277 30.300 0.079 0.000 1.236 80 R HN 0.234 nan 8.270 nan 0.000 0.465 81 F N 1.756 121.719 119.950 0.022 0.000 2.518 81 F HA 0.239 4.767 4.527 0.002 0.000 0.359 81 F C -0.640 175.234 175.800 0.123 0.000 1.118 81 F CA -0.211 57.821 58.000 0.053 0.000 1.287 81 F CB 0.324 39.343 39.000 0.031 0.000 1.132 81 F HN 0.329 nan 8.300 nan 0.000 0.587 82 F N 6.734 126.141 119.950 -0.905 0.000 2.415 82 F HA 0.327 4.855 4.527 0.002 0.000 0.348 82 F C -0.096 175.034 175.800 -1.117 0.000 1.119 82 F CA -0.846 56.685 58.000 -0.782 0.000 1.069 82 F CB 0.365 39.094 39.000 -0.451 0.000 1.124 82 F HN 0.396 nan 8.300 nan 0.000 0.472 83 N N 7.258 125.310 118.700 -1.080 0.000 2.439 83 N HA 0.169 4.910 4.740 0.002 0.000 0.249 83 N C 0.862 175.918 175.510 -0.757 0.000 1.003 83 N CA -0.202 52.396 53.050 -0.753 0.000 0.942 83 N CB 0.978 39.234 38.487 -0.384 0.000 1.115 83 N HN 0.604 nan 8.380 nan 0.000 0.505 84 I N 1.905 122.186 120.570 -0.482 0.000 2.353 84 I HA -0.134 4.037 4.170 0.002 0.000 0.248 84 I C 2.098 178.102 176.117 -0.187 0.000 1.119 84 I CA 0.791 61.905 61.300 -0.310 0.000 1.417 84 I CB -1.380 36.582 38.000 -0.062 0.000 1.078 84 I HN 0.470 nan 8.210 nan 0.000 0.421 85 A N 0.762 123.507 122.820 -0.125 0.000 1.855 85 A HA -0.174 4.147 4.320 0.002 0.000 0.213 85 A C 2.260 179.792 177.584 -0.087 0.000 1.195 85 A CA 1.251 53.246 52.037 -0.070 0.000 0.610 85 A CB -0.496 18.489 19.000 -0.026 0.000 0.837 85 A HN 0.194 nan 8.150 nan 0.000 0.444 86 K N 0.452 120.784 120.400 -0.113 0.000 2.442 86 K HA -0.100 4.222 4.320 0.002 0.000 0.200 86 K C -0.400 176.136 176.600 -0.108 0.000 1.045 86 K CA 0.930 57.157 56.287 -0.100 0.000 0.937 86 K CB -0.130 32.304 32.500 -0.110 0.000 0.757 86 K HN 0.428 nan 8.250 nan 0.000 0.474 87 D N -1.498 118.814 120.400 -0.146 0.000 2.492 87 D HA 0.155 4.796 4.640 0.002 0.000 0.248 87 D C -2.113 174.156 176.300 -0.051 0.000 1.101 87 D CA -2.163 51.776 54.000 -0.101 0.000 0.840 87 D CB 1.969 42.671 40.800 -0.162 0.000 1.209 87 D HN -0.187 nan 8.370 nan 0.000 0.524 88 P HA -0.109 nan 4.420 nan 0.000 0.214 88 P C 1.237 178.551 177.300 0.025 0.000 1.162 88 P CA 1.192 64.299 63.100 0.010 0.000 0.879 88 P CB 0.239 31.952 31.700 0.021 0.000 0.786 89 R N -0.606 119.931 120.500 0.061 0.000 2.189 89 R HA 0.035 4.376 4.340 0.002 0.000 0.223 89 R C 0.357 176.691 176.300 0.056 0.000 1.092 89 R CA 0.695 56.833 56.100 0.062 0.000 0.989 89 R CB -1.413 28.956 30.300 0.115 0.000 0.876 89 R HN 0.103 nan 8.270 nan 0.000 0.457 90 V N 2.153 122.113 119.914 0.076 0.000 2.607 90 V HA 0.279 4.400 4.120 0.002 0.000 0.289 90 V C 0.254 176.360 176.094 0.021 0.000 1.053 90 V CA -0.467 61.875 62.300 0.070 0.000 0.996 90 V CB 1.477 33.334 31.823 0.056 0.000 0.995 90 V HN 0.467 nan 8.190 nan 0.000 0.476 91 S N 4.157 119.877 115.700 0.033 0.000 2.543 91 S HA 0.588 5.059 4.470 0.002 0.000 0.273 91 S C -0.753 173.885 174.600 0.064 0.000 1.152 91 S CA -0.766 57.456 58.200 0.036 0.000 0.910 91 S CB 1.408 64.622 63.200 0.024 0.000 1.105 91 S HN 0.667 nan 8.310 nan 0.000 0.465 92 M N 1.501 121.161 119.600 0.100 0.000 1.703 92 M HA 0.539 5.020 4.480 0.002 0.000 0.160 92 M C 0.047 176.406 176.300 0.099 0.000 1.205 92 M CA -0.075 55.311 55.300 0.143 0.000 0.775 92 M CB 0.524 33.251 32.600 0.212 0.000 1.051 92 M HN 0.876 nan 8.290 nan 0.000 0.417 93 R N -1.295 119.265 120.500 0.099 0.000 2.836 93 R HA 0.394 4.736 4.340 0.002 0.000 0.269 93 R C 0.218 176.570 176.300 0.087 0.000 1.010 93 R CA -0.479 55.662 56.100 0.069 0.000 0.930 93 R CB 1.232 31.555 30.300 0.039 0.000 1.218 93 R HN 0.550 nan 8.270 nan 0.000 0.473 94 R N 0.722 121.267 120.500 0.076 0.000 2.280 94 R HA 0.013 4.354 4.340 0.002 0.000 0.209 94 R C 0.465 176.837 176.300 0.120 0.000 1.059 94 R CA 1.789 57.942 56.100 0.089 0.000 0.847 94 R CB -0.290 30.051 30.300 0.067 0.000 0.763 94 R HN 0.398 nan 8.270 nan 0.000 0.452 95 R N 0.788 121.350 120.500 0.103 0.000 4.054 95 R HA 0.127 4.468 4.340 0.002 0.000 0.227 95 R C -0.245 176.143 176.300 0.146 0.000 1.902 95 R CA 0.216 56.396 56.100 0.133 0.000 1.590 95 R CB -0.307 30.052 30.300 0.099 0.000 1.245 95 R HN 0.376 nan 8.270 nan 0.000 0.647 96 S N -3.016 112.759 115.700 0.124 0.000 2.660 96 S HA 0.276 4.748 4.470 0.002 0.000 0.264 96 S C 0.087 174.318 174.600 -0.614 0.000 1.131 96 S CA -0.425 57.663 58.200 -0.187 0.000 0.846 96 S CB 0.674 63.777 63.200 -0.162 0.000 1.151 96 S HN 0.107 nan 8.310 nan 0.000 0.486 97 G N 0.537 108.524 108.800 -1.354 0.000 3.519 97 G HA2 0.405 4.366 3.960 0.002 0.000 0.269 97 G HA3 0.405 4.366 3.960 0.002 0.000 0.269 97 G C 0.355 175.262 174.900 0.011 0.000 1.028 97 G CA 0.226 44.839 45.100 -0.811 0.000 0.809 97 G HN 0.843 nan 8.290 nan 0.000 0.521 98 T N 1.063 115.599 114.554 -0.030 0.000 2.709 98 T HA 0.225 4.576 4.350 0.002 0.000 0.345 98 T C 0.110 174.903 174.700 0.155 0.000 1.086 98 T CA 0.508 62.691 62.100 0.139 0.000 1.084 98 T CB 0.689 69.584 68.868 0.044 0.000 1.000 98 T HN -0.069 nan 8.240 nan 0.000 0.549 99 L N 0.948 122.203 121.223 0.053 0.000 2.354 99 L HA 0.787 5.129 4.340 0.002 0.000 0.264 99 L C -0.765 176.092 176.870 -0.022 0.000 1.008 99 L CA -1.071 53.750 54.840 -0.032 0.000 0.819 99 L CB 2.167 44.092 42.059 -0.224 0.000 1.339 99 L HN 0.404 nan 8.230 nan 0.000 0.420 100 V N 4.073 123.977 119.914 -0.017 0.000 2.577 100 V HA 0.498 4.619 4.120 0.002 0.000 0.294 100 V C -1.152 174.907 176.094 -0.059 0.000 1.052 100 V CA -0.046 62.231 62.300 -0.038 0.000 0.891 100 V CB 1.697 33.503 31.823 -0.030 0.000 1.017 100 V HN 0.595 nan 8.190 nan 0.000 0.436 101 I N 6.566 127.069 120.570 -0.113 0.000 2.537 101 I HA 0.446 4.617 4.170 0.002 0.000 0.276 101 I C -1.048 174.700 176.117 -0.615 0.000 1.063 101 I CA -0.473 60.717 61.300 -0.184 0.000 1.144 101 I CB 1.495 39.534 38.000 0.064 0.000 1.252 101 I HN 0.710 nan 8.210 nan 0.000 0.480 102 D N 4.997 125.060 120.400 -0.561 0.000 2.168 102 D HA 0.460 5.102 4.640 0.002 0.000 0.246 102 D C -0.776 175.099 176.300 -0.709 0.000 1.050 102 D CA -0.458 53.094 54.000 -0.746 0.000 0.857 102 D CB 0.938 41.538 40.800 -0.333 0.000 1.169 102 D HN 0.123 nan 8.370 nan 0.000 0.453 103 F N 0.834 120.742 119.950 -0.070 0.000 2.309 103 F HA 0.445 4.973 4.527 0.002 0.000 0.366 103 F C 1.592 177.364 175.800 -0.045 0.000 1.104 103 F CA -0.927 57.031 58.000 -0.070 0.000 1.179 103 F CB 0.885 39.816 39.000 -0.116 0.000 1.437 103 F HN 0.316 nan 8.300 nan 0.000 0.528 104 R N 0.446 120.982 120.500 0.059 0.000 2.146 104 R HA -0.016 4.325 4.340 0.002 0.000 0.206 104 R C 2.363 178.691 176.300 0.046 0.000 1.049 104 R CA 0.893 57.015 56.100 0.037 0.000 1.029 104 R CB 0.205 30.507 30.300 0.004 0.000 0.949 104 R HN 0.634 nan 8.270 nan 0.000 0.471 105 S N -1.033 114.699 115.700 0.053 0.000 2.309 105 S HA 0.122 4.593 4.470 0.002 0.000 0.206 105 S C 1.094 175.722 174.600 0.047 0.000 1.028 105 S CA 1.134 59.360 58.200 0.044 0.000 0.972 105 S CB -0.059 63.167 63.200 0.044 0.000 0.961 105 S HN 0.405 nan 8.310 nan 0.000 0.449 106 G N -1.224 107.613 108.800 0.063 0.000 3.382 106 G HA2 0.480 4.441 3.960 0.002 0.000 0.183 106 G HA3 0.480 4.441 3.960 0.002 0.000 0.183 106 G C 0.373 175.301 174.900 0.045 0.000 1.246 106 G CA 0.196 45.319 45.100 0.038 0.000 0.828 106 G HN 1.544 nan 8.290 nan 0.000 0.728 107 G N 0.097 108.898 108.800 0.000 0.000 3.168 107 G HA2 -0.081 3.880 3.960 0.002 0.000 0.268 107 G HA3 -0.081 3.880 3.960 0.002 0.000 0.268 107 G C -0.249 174.394 174.900 -0.428 0.000 0.800 107 G CA 0.154 45.199 45.100 -0.091 0.000 0.765 107 G HN 0.645 nan 8.290 nan 0.000 0.368 108 R N 3.845 124.106 120.500 -0.398 0.000 2.254 108 R HA 0.399 4.740 4.340 0.002 0.000 0.318 108 R C -1.736 174.163 176.300 -0.668 0.000 1.031 108 R CA -1.865 53.947 56.100 -0.478 0.000 0.905 108 R CB 1.453 31.607 30.300 -0.243 0.000 1.050 108 R HN 0.259 nan 8.270 nan 0.000 0.456 109 P HA -0.191 nan 4.420 nan 0.000 0.228 109 P C 0.549 177.673 177.300 -0.294 0.000 1.151 109 P CA 0.953 63.636 63.100 -0.695 0.000 0.770 109 P CB 0.179 31.555 31.700 -0.539 0.000 0.786 110 E N 0.045 120.109 120.200 -0.226 0.000 2.338 110 E HA -0.149 4.202 4.350 0.002 0.000 0.197 110 E C 1.053 177.638 176.600 -0.025 0.000 1.007 110 E CA 0.819 57.152 56.400 -0.110 0.000 0.849 110 E CB -0.569 29.068 29.700 -0.106 0.000 0.774 110 E HN 0.205 nan 8.360 nan 0.000 0.506 111 E N -0.111 120.096 120.200 0.011 0.000 2.465 111 E HA -0.002 4.349 4.350 0.002 0.000 0.191 111 E C -0.112 176.701 176.600 0.355 0.000 1.053 111 E CA 0.106 56.591 56.400 0.142 0.000 0.869 111 E CB 0.260 30.042 29.700 0.137 0.000 0.977 111 E HN 0.431 nan 8.360 nan 0.000 0.483 112 Y N 0.752 121.052 120.300 0.000 0.000 2.660 112 Y HA 0.251 4.802 4.550 0.002 0.000 0.254 112 Y C 0.640 176.567 175.900 0.045 0.000 1.176 112 Y CA -0.870 57.273 58.100 0.070 0.000 1.195 112 Y CB 0.414 38.922 38.460 0.079 0.000 1.190 112 Y HN -0.088 nan 8.280 nan 0.000 0.535 113 E N 0.192 120.479 120.200 0.145 0.000 2.390 113 E HA 0.461 4.813 4.350 0.002 0.000 0.261 113 E C 0.452 177.123 176.600 0.118 0.000 1.076 113 E CA 0.540 56.981 56.400 0.070 0.000 0.905 113 E CB 0.943 30.659 29.700 0.027 0.000 0.984 113 E HN 0.417 nan 8.360 nan 0.000 0.427 114 G N 1.478 110.341 108.800 0.105 0.000 2.361 114 G HA2 -0.081 3.880 3.960 0.002 0.000 0.331 114 G HA3 -0.081 3.880 3.960 0.002 0.000 0.331 114 G C -1.358 173.675 174.900 0.223 0.000 1.324 114 G CA -0.983 44.211 45.100 0.158 0.000 0.984 114 G HN 0.454 nan 8.290 nan 0.000 0.586 115 E N -0.424 119.912 120.200 0.227 0.000 2.266 115 E HA 0.533 4.884 4.350 0.002 0.000 0.277 115 E C -1.288 175.572 176.600 0.433 0.000 1.018 115 E CA -0.333 56.222 56.400 0.258 0.000 0.840 115 E CB 1.492 31.284 29.700 0.153 0.000 1.082 115 E HN 0.342 nan 8.360 nan 0.000 0.395 116 Y N 1.152 121.480 120.300 0.047 0.000 2.361 116 Y HA 0.238 4.789 4.550 0.002 0.000 0.337 116 Y C -0.173 175.869 175.900 0.236 0.000 0.965 116 Y CA -0.796 57.362 58.100 0.097 0.000 1.091 116 Y CB 1.971 40.446 38.460 0.024 0.000 1.182 116 Y HN 0.429 nan 8.280 nan 0.000 0.450 117 Q N 2.530 122.566 119.800 0.393 0.000 2.330 117 Q HA 0.534 4.875 4.340 0.002 0.000 0.269 117 Q C -1.225 174.912 176.000 0.230 0.000 1.022 117 Q CA -0.530 55.445 55.803 0.287 0.000 0.796 117 Q CB 1.823 30.705 28.738 0.240 0.000 1.271 117 Q HN 0.890 nan 8.270 nan 0.000 0.450 118 c N 4.496 122.981 118.600 -0.191 0.000 2.466 118 c HA 0.631 5.202 4.570 0.002 0.000 0.379 118 c C -1.084 172.872 174.090 -0.224 0.000 1.251 118 c CA -0.288 55.621 56.329 -0.700 0.000 2.263 118 c CB -0.287 41.541 42.510 -1.137 0.000 2.511 118 c HN 0.776 nan 8.230 nan 0.000 0.573 119 F N 4.144 123.834 119.950 -0.434 0.000 2.513 119 F HA 0.494 5.023 4.527 0.002 0.000 0.358 119 F C 0.560 176.340 175.800 -0.032 0.000 1.118 119 F CA -0.569 57.311 58.000 -0.200 0.000 1.037 119 F CB 0.892 39.721 39.000 -0.286 0.000 1.276 119 F HN 0.770 nan 8.300 nan 0.000 0.446 120 A N 4.724 127.611 122.820 0.110 0.000 2.391 120 A HA 0.568 4.890 4.320 0.002 0.000 0.316 120 A C 0.314 177.874 177.584 -0.040 0.000 1.381 120 A CA -0.528 51.490 52.037 -0.032 0.000 0.998 120 A CB 0.110 19.136 19.000 0.043 0.000 1.147 120 A HN 0.786 nan 8.150 nan 0.000 0.545 121 R N 2.656 123.116 120.500 -0.066 0.000 2.500 121 R HA 0.440 4.781 4.340 0.002 0.000 0.277 121 R C -0.592 175.657 176.300 -0.085 0.000 1.026 121 R CA -0.446 55.639 56.100 -0.025 0.000 1.058 121 R CB 0.678 30.988 30.300 0.016 0.000 1.078 121 R HN 0.819 nan 8.270 nan 0.000 0.509 122 N N 0.952 119.618 118.700 -0.058 0.000 2.825 122 N HA 0.127 4.868 4.740 0.002 0.000 0.253 122 N C -0.411 174.975 175.510 -0.206 0.000 1.426 122 N CA -0.553 52.445 53.050 -0.086 0.000 0.851 122 N CB 1.793 40.314 38.487 0.056 0.000 1.470 122 N HN 0.534 nan 8.380 nan 0.000 0.517 123 K N 0.361 120.483 120.400 -0.462 0.000 2.280 123 K HA -0.038 4.284 4.320 0.002 0.000 0.202 123 K C 1.048 177.260 176.600 -0.647 0.000 1.047 123 K CA 1.515 57.422 56.287 -0.634 0.000 0.942 123 K CB -0.014 31.951 32.500 -0.892 0.000 0.739 123 K HN 0.402 nan 8.250 nan 0.000 0.457 124 F N -0.136 119.783 119.950 -0.050 0.000 2.317 124 F HA 0.174 4.702 4.527 0.002 0.000 0.290 124 F C 1.425 177.198 175.800 -0.045 0.000 1.075 124 F CA 0.001 57.970 58.000 -0.052 0.000 1.380 124 F CB 0.102 39.061 39.000 -0.068 0.000 1.093 124 F HN -0.064 nan 8.300 nan 0.000 0.524 125 G N -0.981 107.897 108.800 0.130 0.000 2.608 125 G HA2 0.501 4.463 3.960 0.002 0.000 0.291 125 G HA3 0.501 4.463 3.960 0.002 0.000 0.291 125 G C -1.643 173.291 174.900 0.057 0.000 1.425 125 G CA -0.645 44.494 45.100 0.066 0.000 0.787 125 G HN -0.193 nan 8.290 nan 0.000 0.484 126 T N 0.505 115.087 114.554 0.047 0.000 2.812 126 T HA 0.690 5.041 4.350 0.002 0.000 0.282 126 T C 0.272 174.988 174.700 0.028 0.000 0.990 126 T CA 0.123 62.263 62.100 0.066 0.000 0.960 126 T CB 1.422 70.370 68.868 0.133 0.000 0.948 126 T HN 1.053 nan 8.240 nan 0.000 0.438 127 A N 3.826 126.654 122.820 0.013 0.000 2.316 127 A HA 0.833 5.154 4.320 0.002 0.000 0.284 127 A C -0.452 177.029 177.584 -0.171 0.000 1.115 127 A CA -0.566 51.453 52.037 -0.030 0.000 0.812 127 A CB 0.393 19.405 19.000 0.020 0.000 1.064 127 A HN 0.817 nan 8.150 nan 0.000 0.489 128 L N 1.196 122.299 121.223 -0.200 0.000 2.341 128 L HA 0.615 4.956 4.340 0.002 0.000 0.267 128 L C 0.411 177.154 176.870 -0.212 0.000 1.009 128 L CA -0.592 54.034 54.840 -0.357 0.000 0.819 128 L CB 2.360 44.176 42.059 -0.405 0.000 1.323 128 L HN 0.924 nan 8.230 nan 0.000 0.425 129 S N 0.063 115.625 115.700 -0.231 0.000 2.648 129 S HA 0.494 4.965 4.470 0.002 0.000 0.305 129 S C -0.565 174.008 174.600 -0.045 0.000 1.094 129 S CA -1.050 57.091 58.200 -0.098 0.000 0.983 129 S CB 1.630 64.772 63.200 -0.097 0.000 1.101 129 S HN 0.550 nan 8.310 nan 0.000 0.514 130 N N 1.624 120.355 118.700 0.051 0.000 2.412 130 N HA 0.035 4.776 4.740 0.002 0.000 0.254 130 N C -0.265 175.325 175.510 0.134 0.000 1.232 130 N CA 0.252 53.390 53.050 0.145 0.000 0.880 130 N CB 0.075 38.705 38.487 0.238 0.000 1.076 130 N HN 0.550 nan 8.380 nan 0.000 0.458 131 R N 2.226 122.799 120.500 0.121 0.000 2.540 131 R HA 0.112 4.454 4.340 0.002 0.000 0.317 131 R C 0.178 176.584 176.300 0.177 0.000 1.233 131 R CA 0.049 56.230 56.100 0.136 0.000 1.003 131 R CB -0.374 29.980 30.300 0.090 0.000 1.034 131 R HN 0.471 nan 8.270 nan 0.000 0.483 132 I N 3.451 124.128 120.570 0.177 0.000 2.587 132 I HA -0.033 4.139 4.170 0.002 0.000 0.284 132 I C 1.072 177.248 176.117 0.098 0.000 1.134 132 I CA 0.290 61.663 61.300 0.122 0.000 1.410 132 I CB 0.279 38.328 38.000 0.081 0.000 1.392 132 I HN 0.195 nan 8.210 nan 0.000 0.545 133 R N 6.244 126.789 120.500 0.074 0.000 2.419 133 R HA 0.234 4.575 4.340 0.002 0.000 0.305 133 R C -0.871 175.429 176.300 -0.001 0.000 1.242 133 R CA -1.012 55.118 56.100 0.049 0.000 1.105 133 R CB 0.264 30.594 30.300 0.049 0.000 1.116 133 R HN 0.390 nan 8.270 nan 0.000 0.523 134 L N 3.707 124.879 121.223 -0.086 0.000 2.361 134 L HA 0.165 4.506 4.340 0.002 0.000 0.278 134 L C -0.228 176.577 176.870 -0.109 0.000 1.113 134 L CA 0.797 55.550 54.840 -0.145 0.000 0.849 134 L CB 0.646 42.477 42.059 -0.380 0.000 1.155 134 L HN 0.506 nan 8.230 nan 0.000 0.452 135 Q N 2.886 122.608 119.800 -0.129 0.000 2.416 135 Q HA 0.666 5.007 4.340 0.002 0.000 0.281 135 Q C -1.398 174.488 176.000 -0.191 0.000 1.067 135 Q CA -1.005 54.722 55.803 -0.127 0.000 0.809 135 Q CB 2.785 31.464 28.738 -0.098 0.000 1.418 135 Q HN 0.533 nan 8.270 nan 0.000 0.411 136 V N -0.883 118.931 119.914 -0.167 0.000 2.547 136 V HA 0.565 4.686 4.120 0.002 0.000 0.299 136 V C -0.007 175.974 176.094 -0.187 0.000 1.040 136 V CA -0.828 61.354 62.300 -0.197 0.000 0.913 136 V CB 1.632 33.356 31.823 -0.165 0.000 0.992 136 V HN 0.691 nan 8.190 nan 0.000 0.449 137 S N 3.817 119.382 115.700 -0.225 0.000 2.549 137 S HA 0.337 4.808 4.470 0.002 0.000 0.283 137 S C -0.010 174.513 174.600 -0.127 0.000 1.320 137 S CA -0.360 57.746 58.200 -0.156 0.000 1.058 137 S CB 0.121 63.245 63.200 -0.127 0.000 0.882 137 S HN 0.709 nan 8.310 nan 0.000 0.498 138 K N 1.988 122.321 120.400 -0.112 0.000 2.259 138 K HA 0.497 4.818 4.320 0.002 0.000 0.252 138 K C -0.840 175.522 176.600 -0.396 0.000 0.936 138 K CA -0.648 55.527 56.287 -0.188 0.000 0.810 138 K CB 1.944 34.364 32.500 -0.133 0.000 1.143 138 K HN 0.441 nan 8.250 nan 0.000 0.427 139 S N 3.096 118.458 115.700 -0.563 0.000 2.259 139 S HA 0.339 4.810 4.470 0.002 0.000 0.181 139 S C -2.466 171.784 174.600 -0.583 0.000 1.589 139 S CA -1.080 56.457 58.200 -1.104 0.000 1.234 139 S CB 0.910 63.525 63.200 -0.976 0.000 1.119 139 S HN 0.322 nan 8.310 nan 0.000 0.458 140 P HA 0.350 nan 4.420 nan 0.000 0.274 140 P C -0.522 176.664 177.300 -0.190 0.000 1.237 140 P CA -0.556 62.406 63.100 -0.230 0.000 0.793 140 P CB 0.598 32.191 31.700 -0.178 0.000 0.977 141 L N 0.872 122.039 121.223 -0.094 0.000 2.421 141 L HA 0.394 4.736 4.340 0.002 0.000 0.263 141 L C 0.054 176.943 176.870 0.031 0.000 1.122 141 L CA -0.633 54.222 54.840 0.025 0.000 0.804 141 L CB 0.259 42.351 42.059 0.055 0.000 1.150 141 L HN 0.356 nan 8.230 nan 0.000 0.457 142 W N 0.618 121.910 121.300 -0.015 0.000 2.237 142 W HA 0.426 5.087 4.660 0.002 0.000 0.335 142 W C -1.733 174.776 176.519 -0.016 0.000 1.230 142 W CA -1.345 55.992 57.345 -0.013 0.000 1.253 142 W CB -0.841 28.605 29.460 -0.023 0.000 1.129 142 W HN 0.196 nan 8.180 nan 0.000 0.590 143 P HA 0.100 nan 4.420 nan 0.000 0.273 143 P C -1.026 176.341 177.300 0.111 0.000 1.250 143 P CA -0.597 62.581 63.100 0.129 0.000 0.793 143 P CB 0.485 32.245 31.700 0.100 0.000 1.011 144 K N 1.227 121.665 120.400 0.063 0.000 2.315 144 K HA 0.085 4.406 4.320 0.002 0.000 0.281 144 K C -0.050 176.565 176.600 0.025 0.000 1.086 144 K CA 0.665 56.973 56.287 0.034 0.000 1.042 144 K CB -0.482 32.031 32.500 0.021 0.000 0.949 144 K HN 0.309 nan 8.250 nan 0.000 0.450 145 E N 2.425 122.626 120.200 0.002 0.000 2.186 145 E HA 0.082 4.433 4.350 0.002 0.000 0.255 145 E C -0.858 175.703 176.600 -0.065 0.000 0.881 145 E CA -0.637 55.750 56.400 -0.022 0.000 0.752 145 E CB 0.963 30.646 29.700 -0.029 0.000 1.176 145 E HN 0.337 nan 8.360 nan 0.000 0.421 146 N N 4.900 123.572 118.700 -0.047 0.000 2.521 146 N HA 0.161 4.902 4.740 0.002 0.000 0.236 146 N C -0.999 174.469 175.510 -0.070 0.000 1.067 146 N CA -0.176 52.840 53.050 -0.057 0.000 0.939 146 N CB 0.435 38.904 38.487 -0.031 0.000 1.201 146 N HN 0.463 nan 8.380 nan 0.000 0.511 147 L N 2.599 123.746 121.223 -0.127 0.000 2.290 147 L HA 0.275 4.616 4.340 0.002 0.000 0.284 147 L C 0.443 177.258 176.870 -0.092 0.000 1.078 147 L CA -0.660 54.085 54.840 -0.157 0.000 0.815 147 L CB 0.756 42.585 42.059 -0.383 0.000 1.162 147 L HN 0.251 nan 8.230 nan 0.000 0.435 148 D N 3.722 124.104 120.400 -0.029 0.000 2.312 148 D HA 0.299 4.940 4.640 0.002 0.000 0.248 148 D C -2.146 174.169 176.300 0.026 0.000 1.086 148 D CA -1.315 52.685 54.000 0.000 0.000 0.948 148 D CB 0.752 41.563 40.800 0.019 0.000 1.162 148 D HN 0.242 nan 8.370 nan 0.000 0.446 149 P HA 0.066 nan 4.420 nan 0.000 0.271 149 P C -0.693 176.646 177.300 0.065 0.000 1.226 149 P CA -0.211 62.917 63.100 0.048 0.000 0.765 149 P CB 0.534 32.252 31.700 0.029 0.000 0.835 150 V N 4.772 124.746 119.914 0.099 0.000 2.427 150 V HA 0.127 4.248 4.120 0.002 0.000 0.268 150 V C 0.429 176.538 176.094 0.024 0.000 1.046 150 V CA -0.256 62.090 62.300 0.077 0.000 0.970 150 V CB 1.012 32.895 31.823 0.101 0.000 1.001 150 V HN 0.237 nan 8.190 nan 0.000 0.476 151 V N 6.128 126.048 119.914 0.009 0.000 2.357 151 V HA 0.577 4.698 4.120 0.002 0.000 0.284 151 V C -0.203 175.877 176.094 -0.024 0.000 1.018 151 V CA -0.336 61.959 62.300 -0.008 0.000 0.841 151 V CB 1.789 33.612 31.823 -0.000 0.000 0.991 151 V HN 0.660 nan 8.190 nan 0.000 0.437 152 V N 5.416 125.302 119.914 -0.046 0.000 3.007 152 V HA 0.523 4.644 4.120 0.002 0.000 0.311 152 V C -0.417 175.644 176.094 -0.055 0.000 1.120 152 V CA -0.501 61.765 62.300 -0.057 0.000 0.980 152 V CB 2.501 34.268 31.823 -0.093 0.000 1.033 152 V HN 0.930 nan 8.190 nan 0.000 0.429 153 Q N 2.368 122.142 119.800 -0.043 0.000 2.340 153 Q HA 0.283 4.624 4.340 0.002 0.000 0.249 153 Q C -0.189 175.784 176.000 -0.045 0.000 0.957 153 Q CA -0.084 55.697 55.803 -0.036 0.000 0.882 153 Q CB 1.043 29.767 28.738 -0.024 0.000 1.235 153 Q HN 0.746 nan 8.270 nan 0.000 0.439 154 E N -0.130 120.046 120.200 -0.038 0.000 2.415 154 E HA 0.078 4.429 4.350 0.002 0.000 0.263 154 E C 0.485 177.067 176.600 -0.030 0.000 0.995 154 E CA 0.888 57.265 56.400 -0.038 0.000 0.915 154 E CB 0.125 29.808 29.700 -0.028 0.000 0.951 154 E HN 0.829 nan 8.360 nan 0.000 0.449 155 G N 2.548 111.331 108.800 -0.029 0.000 2.217 155 G HA2 -0.298 3.663 3.960 0.002 0.000 0.246 155 G HA3 -0.298 3.663 3.960 0.002 0.000 0.246 155 G C 0.222 175.114 174.900 -0.013 0.000 0.990 155 G CA 0.018 45.108 45.100 -0.017 0.000 0.627 155 G HN 0.843 nan 8.290 nan 0.000 0.522 156 A N 1.788 124.594 122.820 -0.022 0.000 2.340 156 A HA 0.736 5.057 4.320 0.002 0.000 0.268 156 A C -1.343 176.237 177.584 -0.006 0.000 1.100 156 A CA -0.814 51.215 52.037 -0.015 0.000 0.803 156 A CB 0.587 19.574 19.000 -0.022 0.000 1.043 156 A HN 0.236 nan 8.150 nan 0.000 0.488 157 P HA 0.326 nan 4.420 nan 0.000 0.270 157 P C -0.974 176.352 177.300 0.044 0.000 1.223 157 P CA 0.018 63.150 63.100 0.053 0.000 0.785 157 P CB 0.738 32.475 31.700 0.062 0.000 0.923 158 L N 1.243 122.522 121.223 0.093 0.000 2.543 158 L HA 0.461 4.802 4.340 0.002 0.000 0.265 158 L C -1.191 175.737 176.870 0.096 0.000 0.945 158 L CA 0.083 54.950 54.840 0.045 0.000 0.869 158 L CB 2.033 44.030 42.059 -0.103 0.000 1.294 158 L HN 0.249 nan 8.230 nan 0.000 0.405 159 T N 6.062 120.615 114.554 -0.001 0.000 2.812 159 T HA 0.605 4.956 4.350 0.002 0.000 0.282 159 T C -0.592 173.963 174.700 -0.241 0.000 0.990 159 T CA -0.285 61.739 62.100 -0.126 0.000 0.960 159 T CB 1.173 70.023 68.868 -0.029 0.000 0.948 159 T HN 0.473 nan 8.240 nan 0.000 0.438 160 L N 4.733 125.705 121.223 -0.418 0.000 2.301 160 L HA 0.353 4.694 4.340 0.002 0.000 0.278 160 L C 0.598 177.288 176.870 -0.300 0.000 1.022 160 L CA -1.026 53.499 54.840 -0.526 0.000 0.854 160 L CB 0.979 42.522 42.059 -0.860 0.000 1.226 160 L HN 0.588 nan 8.230 nan 0.000 0.429 161 Q N 1.362 121.099 119.800 -0.104 0.000 2.313 161 Q HA 0.026 4.367 4.340 0.002 0.000 0.266 161 Q C 0.710 176.857 176.000 0.246 0.000 0.989 161 Q CA -0.234 55.604 55.803 0.058 0.000 0.890 161 Q CB 1.997 30.787 28.738 0.087 0.000 1.200 161 Q HN 0.708 nan 8.270 nan 0.000 0.396 162 c N 3.148 121.914 118.600 0.277 0.000 2.564 162 c HA -0.016 4.555 4.570 0.002 0.000 0.281 162 c C 0.383 174.664 174.090 0.318 0.000 1.314 162 c CA 0.252 56.749 56.329 0.281 0.000 1.706 162 c CB -0.781 41.824 42.510 0.158 0.000 2.109 162 c HN 1.027 nan 8.230 nan 0.000 0.502 163 N N 0.955 119.776 118.700 0.202 0.000 2.641 163 N HA -0.105 4.636 4.740 0.002 0.000 0.267 163 N C -2.523 173.041 175.510 0.091 0.000 1.087 163 N CA 1.033 54.173 53.050 0.149 0.000 0.731 163 N CB -0.866 37.724 38.487 0.172 0.000 0.886 163 N HN 0.591 nan 8.380 nan 0.000 0.547 164 P HA 0.248 nan 4.420 nan 0.000 0.274 164 P C -2.268 174.779 177.300 -0.423 0.000 1.237 164 P CA -0.779 62.044 63.100 -0.461 0.000 0.793 164 P CB 0.257 31.747 31.700 -0.350 0.000 0.977 165 P HA 0.220 nan 4.420 nan 0.000 0.274 165 P C -2.121 175.077 177.300 -0.170 0.000 1.237 165 P CA -1.189 61.699 63.100 -0.352 0.000 0.793 165 P CB -0.653 30.781 31.700 -0.444 0.000 0.977 166 P HA -0.020 nan 4.420 nan 0.000 0.209 166 P C 0.289 177.610 177.300 0.034 0.000 1.053 166 P CA 1.153 64.229 63.100 -0.039 0.000 0.855 166 P CB -0.784 30.893 31.700 -0.039 0.000 0.566 167 G N -1.425 107.398 108.800 0.040 0.000 2.728 167 G HA2 -0.101 3.860 3.960 0.002 0.000 0.686 167 G HA3 -0.101 3.860 3.960 0.002 0.000 0.686 167 G C -1.079 173.880 174.900 0.099 0.000 1.337 167 G CA -0.614 44.550 45.100 0.106 0.000 0.861 167 G HN 0.372 nan 8.290 nan 0.000 0.597 168 L N 3.432 124.698 121.223 0.072 0.000 2.349 168 L HA 0.590 4.931 4.340 0.002 0.000 0.278 168 L C -1.463 175.466 176.870 0.098 0.000 0.996 168 L CA -1.990 52.879 54.840 0.048 0.000 0.825 168 L CB 2.193 44.240 42.059 -0.020 0.000 1.243 168 L HN 0.536 nan 8.230 nan 0.000 0.412 169 P HA 0.211 nan 4.420 nan 0.000 0.323 169 P C -0.441 176.890 177.300 0.051 0.000 1.309 169 P CA -0.525 62.623 63.100 0.080 0.000 0.739 169 P CB 0.572 32.322 31.700 0.084 0.000 1.454 170 S N 1.300 116.993 115.700 -0.012 0.000 2.533 170 S HA 0.219 4.690 4.470 0.002 0.000 0.282 170 S C -1.677 172.831 174.600 -0.154 0.000 1.304 170 S CA -0.576 57.580 58.200 -0.072 0.000 1.063 170 S CB -0.732 62.429 63.200 -0.064 0.000 0.881 170 S HN 0.392 nan 8.310 nan 0.000 0.493 171 P HA 0.212 nan 4.420 nan 0.000 0.274 171 P C -0.951 176.138 177.300 -0.352 0.000 1.237 171 P CA -0.489 62.277 63.100 -0.557 0.000 0.793 171 P CB 0.505 31.575 31.700 -1.049 0.000 0.977 172 V N 3.097 122.848 119.914 -0.272 0.000 2.406 172 V HA 0.178 4.299 4.120 0.002 0.000 0.272 172 V C 0.625 176.643 176.094 -0.127 0.000 1.043 172 V CA -0.343 61.884 62.300 -0.121 0.000 0.915 172 V CB 0.286 32.121 31.823 0.020 0.000 0.988 172 V HN 0.328 nan 8.190 nan 0.000 0.466 173 I N 6.818 127.306 120.570 -0.137 0.000 2.359 173 I HA 0.635 4.807 4.170 0.002 0.000 0.294 173 I C -0.277 175.811 176.117 -0.048 0.000 0.987 173 I CA 0.005 61.175 61.300 -0.217 0.000 1.225 173 I CB 1.078 38.948 38.000 -0.217 0.000 1.366 173 I HN 0.636 nan 8.210 nan 0.000 0.466 174 F N 2.696 122.575 119.950 -0.118 0.000 2.631 174 F HA 0.734 5.262 4.527 0.002 0.000 0.308 174 F C -1.953 173.811 175.800 -0.060 0.000 1.097 174 F CA -1.535 56.466 58.000 0.002 0.000 0.952 174 F CB 0.917 39.942 39.000 0.042 0.000 1.307 174 F HN 0.239 nan 8.300 nan 0.000 0.450 175 W N 3.603 125.079 121.300 0.293 0.000 2.417 175 W HA 0.804 5.466 4.660 0.003 0.000 0.315 175 W C -0.644 176.036 176.519 0.268 0.000 1.045 175 W CA -0.588 56.889 57.345 0.219 0.000 1.221 175 W CB 1.878 31.440 29.460 0.170 0.000 1.309 175 W HN 0.409 nan 8.180 nan 0.000 0.453 176 M N 1.876 121.739 119.600 0.439 0.000 2.691 176 M HA 0.418 4.899 4.480 0.002 0.000 0.293 176 M C 0.328 176.755 176.300 0.212 0.000 1.259 176 M CA -0.995 54.487 55.300 0.304 0.000 0.827 176 M CB 2.353 35.125 32.600 0.288 0.000 1.753 176 M HN 0.379 nan 8.290 nan 0.000 0.465 177 S N -0.220 115.547 115.700 0.112 0.000 2.632 177 S HA 0.242 4.713 4.470 0.002 0.000 0.267 177 S C 0.844 175.472 174.600 0.046 0.000 1.276 177 S CA -0.139 58.084 58.200 0.039 0.000 0.998 177 S CB 1.016 64.204 63.200 -0.020 0.000 0.953 177 S HN 0.739 nan 8.310 nan 0.000 0.547 178 S N 1.081 116.793 115.700 0.020 0.000 2.474 178 S HA -0.042 4.429 4.470 0.002 0.000 0.235 178 S C 1.272 175.879 174.600 0.010 0.000 0.997 178 S CA 0.697 58.903 58.200 0.010 0.000 0.949 178 S CB -0.585 62.611 63.200 -0.007 0.000 0.766 178 S HN 0.651 nan 8.310 nan 0.000 0.517 179 S N 1.496 117.201 115.700 0.008 0.000 2.660 179 S HA 0.338 4.809 4.470 0.002 0.000 0.227 179 S C 0.444 175.055 174.600 0.020 0.000 0.948 179 S CA -0.118 58.087 58.200 0.008 0.000 0.948 179 S CB -0.329 62.871 63.200 -0.001 0.000 0.779 179 S HN 0.344 nan 8.310 nan 0.000 0.487 180 M N -0.047 119.575 119.600 0.036 0.000 2.872 180 M HA -0.159 4.323 4.480 0.002 0.000 0.200 180 M C -0.582 175.747 176.300 0.049 0.000 0.582 180 M CA 0.705 56.038 55.300 0.054 0.000 0.706 180 M CB -2.293 30.334 32.600 0.044 0.000 2.560 180 M HN 0.234 nan 8.290 nan 0.000 0.476 181 E N 2.110 122.335 120.200 0.042 0.000 2.227 181 E HA 0.417 4.768 4.350 0.002 0.000 0.282 181 E C -1.846 174.790 176.600 0.060 0.000 1.015 181 E CA -1.369 55.052 56.400 0.035 0.000 0.823 181 E CB 0.899 30.609 29.700 0.016 0.000 1.081 181 E HN 0.169 nan 8.360 nan 0.000 0.396 182 P HA 0.095 nan 4.420 nan 0.000 0.275 182 P C -0.551 176.809 177.300 0.099 0.000 1.227 182 P CA -0.198 62.955 63.100 0.089 0.000 0.781 182 P CB 0.770 32.500 31.700 0.051 0.000 0.906 183 I N 2.800 123.462 120.570 0.152 0.000 2.331 183 I HA 0.147 4.319 4.170 0.002 0.000 0.292 183 I C 1.307 177.501 176.117 0.129 0.000 0.998 183 I CA -0.250 61.140 61.300 0.151 0.000 1.267 183 I CB 0.796 38.939 38.000 0.239 0.000 1.386 183 I HN 0.364 nan 8.210 nan 0.000 0.476 184 T N 4.008 118.618 114.554 0.095 0.000 2.884 184 T HA 0.408 4.759 4.350 0.002 0.000 0.298 184 T C -0.080 174.652 174.700 0.053 0.000 0.998 184 T CA -0.675 61.469 62.100 0.074 0.000 1.124 184 T CB 1.321 70.218 68.868 0.048 0.000 0.931 184 T HN 0.555 nan 8.240 nan 0.000 0.531 185 Q N 1.857 121.697 119.800 0.066 0.000 2.301 185 Q HA 0.591 4.932 4.340 0.002 0.000 0.267 185 Q C -0.789 175.104 176.000 -0.177 0.000 1.035 185 Q CA -0.892 54.925 55.803 0.024 0.000 0.856 185 Q CB 1.687 30.529 28.738 0.173 0.000 1.337 185 Q HN 0.962 nan 8.270 nan 0.000 0.450 186 D N -0.877 119.253 120.400 -0.450 0.000 2.921 186 D HA 0.135 4.776 4.640 0.002 0.000 0.329 186 D C -0.015 175.779 176.300 -0.843 0.000 1.293 186 D CA -0.668 52.742 54.000 -0.983 0.000 0.964 186 D CB 0.363 40.877 40.800 -0.477 0.000 1.435 186 D HN 0.270 nan 8.370 nan 0.000 0.548 187 K N -0.703 119.313 120.400 -0.639 0.000 2.209 187 K HA -0.080 4.241 4.320 0.002 0.000 0.204 187 K C 1.924 178.451 176.600 -0.122 0.000 1.048 187 K CA 1.004 57.148 56.287 -0.239 0.000 0.940 187 K CB 0.196 32.622 32.500 -0.123 0.000 0.729 187 K HN 0.290 nan 8.250 nan 0.000 0.451 188 R N 0.716 121.131 120.500 -0.140 0.000 2.112 188 R HA 0.027 4.368 4.340 0.002 0.000 0.216 188 R C -0.200 176.049 176.300 -0.085 0.000 1.080 188 R CA 0.605 56.665 56.100 -0.068 0.000 0.996 188 R CB 0.609 30.886 30.300 -0.037 0.000 0.902 188 R HN -0.107 nan 8.270 nan 0.000 0.449 189 V N 1.729 121.549 119.914 -0.157 0.000 2.525 189 V HA 0.359 4.480 4.120 0.002 0.000 0.299 189 V C -0.990 174.977 176.094 -0.211 0.000 1.034 189 V CA -0.515 61.617 62.300 -0.280 0.000 0.863 189 V CB 1.653 33.242 31.823 -0.390 0.000 0.999 189 V HN 0.448 nan 8.190 nan 0.000 0.423 190 S N 3.657 119.254 115.700 -0.172 0.000 2.615 190 S HA 0.682 5.153 4.470 0.002 0.000 0.269 190 S C -1.202 173.385 174.600 -0.022 0.000 1.161 190 S CA -1.045 57.142 58.200 -0.021 0.000 0.817 190 S CB 2.054 65.360 63.200 0.176 0.000 1.131 190 S HN 0.784 nan 8.310 nan 0.000 0.467 191 Q N 0.597 120.427 119.800 0.050 0.000 2.215 191 Q HA 0.742 5.083 4.340 0.002 0.000 0.256 191 Q C 0.325 176.429 176.000 0.175 0.000 0.972 191 Q CA -1.040 54.819 55.803 0.094 0.000 0.889 191 Q CB 1.225 30.070 28.738 0.179 0.000 1.281 191 Q HN 0.903 nan 8.270 nan 0.000 0.456 192 G N -0.381 108.546 108.800 0.212 0.000 2.537 192 G HA2 0.035 3.996 3.960 0.002 0.000 0.297 192 G HA3 0.035 3.996 3.960 0.002 0.000 0.297 192 G C 0.086 175.026 174.900 0.066 0.000 1.310 192 G CA -0.314 44.860 45.100 0.123 0.000 1.027 192 G HN 0.910 nan 8.290 nan 0.000 0.505 193 H N 0.464 119.492 119.070 -0.071 0.000 2.428 193 H HA -0.106 4.451 4.556 0.001 0.000 0.296 193 H C 2.134 177.433 175.328 -0.048 0.000 1.062 193 H CA 1.685 57.706 56.048 -0.046 0.000 1.350 193 H CB 0.069 29.800 29.762 -0.051 0.000 1.403 193 H HN 0.570 nan 8.280 nan 0.000 0.533 194 N N 0.325 119.035 118.700 0.017 0.000 2.573 194 N HA -0.054 4.687 4.740 0.002 0.000 0.187 194 N C 1.459 176.963 175.510 -0.010 0.000 1.107 194 N CA 1.201 54.255 53.050 0.005 0.000 0.918 194 N CB -0.342 38.135 38.487 -0.016 0.000 0.966 194 N HN 0.522 nan 8.380 nan 0.000 0.448 195 G N -0.052 108.753 108.800 0.008 0.000 2.217 195 G HA2 -0.252 3.709 3.960 0.002 0.000 0.246 195 G HA3 -0.252 3.709 3.960 0.002 0.000 0.246 195 G C -0.559 174.501 174.900 0.267 0.000 0.990 195 G CA 0.204 45.359 45.100 0.092 0.000 0.627 195 G HN 0.478 nan 8.290 nan 0.000 0.522 196 D N 0.334 120.798 120.400 0.107 0.000 2.414 196 D HA 0.449 5.090 4.640 0.002 0.000 0.242 196 D C 0.372 176.488 176.300 -0.307 0.000 1.129 196 D CA -0.156 53.815 54.000 -0.049 0.000 0.885 196 D CB 1.369 41.980 40.800 -0.314 0.000 1.198 196 D HN 0.250 nan 8.370 nan 0.000 0.437 197 L N 2.996 123.862 121.223 -0.593 0.000 2.275 197 L HA 0.301 4.642 4.340 0.002 0.000 0.288 197 L C -1.397 174.927 176.870 -0.911 0.000 1.046 197 L CA -0.443 53.828 54.840 -0.949 0.000 0.805 197 L CB 0.217 41.247 42.059 -1.715 0.000 1.193 197 L HN 0.250 nan 8.230 nan 0.000 0.426 198 Y N 4.689 124.702 120.300 -0.478 0.000 2.360 198 Y HA 0.527 5.078 4.550 0.002 0.000 0.337 198 Y C -0.667 174.937 175.900 -0.493 0.000 1.039 198 Y CA -0.272 57.630 58.100 -0.329 0.000 1.109 198 Y CB 1.377 39.757 38.460 -0.133 0.000 1.201 198 Y HN 0.395 nan 8.280 nan 0.000 0.458 199 F N 0.911 120.848 119.950 -0.021 0.000 2.426 199 F HA 0.285 4.812 4.527 0.001 0.000 0.348 199 F C 1.082 176.881 175.800 -0.002 0.000 1.124 199 F CA -0.278 57.687 58.000 -0.059 0.000 1.008 199 F CB 1.967 40.888 39.000 -0.132 0.000 1.139 199 F HN 0.532 nan 8.300 nan 0.000 0.452 200 S N 1.874 117.657 115.700 0.137 0.000 2.368 200 S HA -0.075 4.397 4.470 0.002 0.000 0.224 200 S C 0.238 174.888 174.600 0.084 0.000 1.029 200 S CA 0.851 59.102 58.200 0.085 0.000 0.988 200 S CB -0.281 62.943 63.200 0.039 0.000 0.838 200 S HN 0.744 nan 8.310 nan 0.000 0.462 201 N N 0.029 118.789 118.700 0.100 0.000 2.493 201 N HA 0.216 4.957 4.740 0.002 0.000 0.279 201 N C -1.532 174.015 175.510 0.062 0.000 1.082 201 N CA -0.481 52.604 53.050 0.057 0.000 0.963 201 N CB 1.194 39.696 38.487 0.024 0.000 1.627 201 N HN -0.096 nan 8.380 nan 0.000 0.499 202 V N 2.066 121.970 119.914 -0.016 0.000 2.508 202 V HA 0.282 4.403 4.120 0.002 0.000 0.281 202 V C 0.796 176.856 176.094 -0.058 0.000 1.041 202 V CA -0.069 62.167 62.300 -0.107 0.000 1.016 202 V CB 0.401 32.083 31.823 -0.236 0.000 0.984 202 V HN 0.657 nan 8.190 nan 0.000 0.478 203 M N 4.681 124.261 119.600 -0.034 0.000 2.472 203 M HA 0.336 4.817 4.480 0.002 0.000 0.331 203 M C 0.751 177.040 176.300 -0.019 0.000 1.170 203 M CA -0.893 54.399 55.300 -0.013 0.000 1.009 203 M CB 1.829 34.438 32.600 0.015 0.000 1.672 203 M HN 0.660 nan 8.290 nan 0.000 0.453 204 L N 0.930 122.144 121.223 -0.014 0.000 2.642 204 L HA -0.133 4.208 4.340 0.002 0.000 0.236 204 L C 1.350 178.220 176.870 0.000 0.000 1.169 204 L CA 1.325 56.157 54.840 -0.012 0.000 0.851 204 L CB -1.515 40.538 42.059 -0.010 0.000 0.968 204 L HN 0.787 nan 8.230 nan 0.000 0.453 205 Q N -2.213 117.594 119.800 0.011 0.000 2.280 205 Q HA 0.110 4.451 4.340 0.002 0.000 0.201 205 Q C 0.831 176.859 176.000 0.046 0.000 0.890 205 Q CA 0.333 56.150 55.803 0.023 0.000 0.947 205 Q CB -0.248 28.504 28.738 0.023 0.000 1.081 205 Q HN 0.341 nan 8.270 nan 0.000 0.502 206 D N 0.572 121.003 120.400 0.050 0.000 2.323 206 D HA 0.047 4.688 4.640 0.002 0.000 0.209 206 D C 1.013 177.375 176.300 0.103 0.000 0.973 206 D CA 0.669 54.735 54.000 0.111 0.000 0.874 206 D CB 0.105 40.925 40.800 0.033 0.000 0.930 206 D HN 0.386 nan 8.370 nan 0.000 0.521 207 M N 0.438 120.065 119.600 0.044 0.000 2.691 207 M HA -0.003 4.478 4.480 0.002 0.000 0.227 207 M C 1.539 177.845 176.300 0.009 0.000 1.120 207 M CA 0.407 55.725 55.300 0.031 0.000 1.034 207 M CB 0.157 32.764 32.600 0.013 0.000 1.675 207 M HN -0.031 nan 8.290 nan 0.000 0.514 208 Q N -0.126 119.677 119.800 0.005 0.000 2.137 208 Q HA -0.026 4.315 4.340 0.002 0.000 0.198 208 Q C 0.717 176.684 176.000 -0.056 0.000 0.960 208 Q CA 1.228 57.022 55.803 -0.016 0.000 0.847 208 Q CB 0.230 28.966 28.738 -0.003 0.000 0.915 208 Q HN 0.493 nan 8.270 nan 0.000 0.448 209 T N -0.610 113.870 114.554 -0.123 0.000 2.900 209 T HA 0.347 4.698 4.350 0.002 0.000 0.295 209 T C -0.773 173.670 174.700 -0.429 0.000 1.044 209 T CA -1.137 60.832 62.100 -0.218 0.000 0.995 209 T CB 2.028 70.766 68.868 -0.218 0.000 1.072 209 T HN 0.018 nan 8.240 nan 0.000 0.473 210 D N 0.120 120.335 120.400 -0.308 0.000 2.423 210 D HA 0.312 4.953 4.640 0.002 0.000 0.255 210 D C -1.100 174.970 176.300 -0.384 0.000 1.174 210 D CA -0.595 53.258 54.000 -0.245 0.000 1.008 210 D CB 0.156 40.945 40.800 -0.018 0.000 1.101 210 D HN 0.670 nan 8.370 nan 0.000 0.516 211 Y N -1.039 119.411 120.300 0.251 0.000 2.326 211 Y HA 0.405 4.956 4.550 0.001 0.000 0.329 211 Y C 0.044 176.236 175.900 0.487 0.000 0.973 211 Y CA -1.034 57.293 58.100 0.379 0.000 1.162 211 Y CB 1.993 40.662 38.460 0.348 0.000 1.147 211 Y HN 0.446 nan 8.280 nan 0.000 0.456 212 S N 2.930 118.921 115.700 0.486 0.000 2.552 212 S HA 0.412 4.883 4.470 0.002 0.000 0.314 212 S C -0.677 173.873 174.600 -0.083 0.000 1.099 212 S CA -0.646 57.664 58.200 0.184 0.000 1.070 212 S CB 0.830 64.043 63.200 0.022 0.000 0.998 212 S HN 0.828 nan 8.310 nan 0.000 0.474 213 c N 5.402 123.681 118.600 -0.534 0.000 2.585 213 c HA 0.431 5.003 4.570 0.002 0.000 0.406 213 c C 0.203 173.897 174.090 -0.661 0.000 1.312 213 c CA -0.272 55.403 56.329 -1.090 0.000 1.924 213 c CB -1.205 40.588 42.510 -1.196 0.000 2.578 213 c HN 0.935 nan 8.230 nan 0.000 0.580 214 N N 3.254 121.534 118.700 -0.700 0.000 2.362 214 N HA 0.585 5.326 4.740 0.002 0.000 0.298 214 N C -0.910 174.234 175.510 -0.611 0.000 1.048 214 N CA -0.237 52.428 53.050 -0.641 0.000 0.858 214 N CB 1.904 39.739 38.487 -1.086 0.000 1.218 214 N HN 0.782 nan 8.380 nan 0.000 0.488 215 A N 2.470 125.164 122.820 -0.211 0.000 2.399 215 A HA 0.276 4.597 4.320 0.002 0.000 0.327 215 A C 0.054 177.493 177.584 -0.242 0.000 1.367 215 A CA -0.615 51.268 52.037 -0.257 0.000 0.842 215 A CB 0.264 19.178 19.000 -0.142 0.000 1.142 215 A HN 0.664 nan 8.150 nan 0.000 0.495 216 R N 1.975 122.330 120.500 -0.241 0.000 2.357 216 R HA 0.559 4.900 4.340 0.002 0.000 0.296 216 R C -1.497 174.668 176.300 -0.225 0.000 1.052 216 R CA -0.243 55.868 56.100 0.018 0.000 0.988 216 R CB 0.465 30.935 30.300 0.285 0.000 1.025 216 R HN 0.475 nan 8.270 nan 0.000 0.469 217 F N 3.011 123.004 119.950 0.070 0.000 2.415 217 F HA 0.216 4.745 4.527 0.003 0.000 0.348 217 F C 1.304 177.139 175.800 0.058 0.000 1.119 217 F CA -0.605 57.429 58.000 0.058 0.000 1.069 217 F CB 1.332 40.349 39.000 0.029 0.000 1.124 217 F HN 0.719 nan 8.300 nan 0.000 0.472 218 H N 2.527 121.641 119.070 0.074 0.000 2.265 218 H HA -0.195 4.362 4.556 0.002 0.000 0.295 218 H C 1.851 177.062 175.328 -0.196 0.000 1.084 218 H CA 2.319 58.338 56.048 -0.048 0.000 1.261 218 H CB -0.129 29.616 29.762 -0.029 0.000 1.360 218 H HN 0.600 nan 8.280 nan 0.000 0.487 219 F N 0.046 119.968 119.950 -0.047 0.000 2.000 219 F HA -0.113 4.415 4.527 0.002 0.000 0.295 219 F C 1.496 177.142 175.800 -0.257 0.000 1.159 219 F CA 1.854 59.756 58.000 -0.162 0.000 1.171 219 F CB -0.713 38.252 39.000 -0.058 0.000 0.971 219 F HN 0.139 nan 8.300 nan 0.000 0.479 220 T N 0.822 115.410 114.554 0.057 0.000 2.780 220 T HA 0.091 4.443 4.350 0.002 0.000 0.294 220 T C -0.352 174.326 174.700 -0.037 0.000 0.949 220 T CA -0.653 61.434 62.100 -0.022 0.000 1.074 220 T CB -0.031 68.850 68.868 0.021 0.000 0.910 220 T HN 0.116 nan 8.240 nan 0.000 0.501 221 H N 4.849 123.948 119.070 0.048 0.000 3.289 221 H HA 0.209 4.766 4.556 0.002 0.000 0.248 221 H C 0.111 175.493 175.328 0.091 0.000 1.175 221 H CA 0.277 56.362 56.048 0.063 0.000 1.496 221 H CB -0.296 29.480 29.762 0.023 0.000 1.571 221 H HN 0.504 nan 8.280 nan 0.000 0.495 222 T N 4.622 119.317 114.554 0.235 0.000 2.971 222 T HA 0.430 4.781 4.350 0.002 0.000 0.304 222 T C 0.296 175.181 174.700 0.308 0.000 1.038 222 T CA -0.575 61.644 62.100 0.199 0.000 1.007 222 T CB 1.534 70.444 68.868 0.070 0.000 1.055 222 T HN 0.336 nan 8.240 nan 0.000 0.451 223 I N 3.170 123.889 120.570 0.249 0.000 2.441 223 I HA 0.428 4.599 4.170 0.002 0.000 0.295 223 I C -0.330 175.934 176.117 0.245 0.000 0.994 223 I CA -0.936 60.521 61.300 0.262 0.000 1.144 223 I CB 1.792 39.929 38.000 0.228 0.000 1.314 223 I HN 0.282 nan 8.210 nan 0.000 0.445 224 Q N 6.080 126.071 119.800 0.318 0.000 2.337 224 Q HA 0.501 4.842 4.340 0.002 0.000 0.266 224 Q C -1.235 175.045 176.000 0.466 0.000 1.023 224 Q CA -0.663 55.390 55.803 0.418 0.000 0.829 224 Q CB 2.739 31.791 28.738 0.523 0.000 1.306 224 Q HN 0.584 nan 8.270 nan 0.000 0.449 225 Q N 0.954 120.868 119.800 0.190 0.000 2.387 225 Q HA 0.588 4.929 4.340 0.002 0.000 0.273 225 Q C -0.575 174.934 176.000 -0.818 0.000 1.089 225 Q CA -0.909 54.747 55.803 -0.245 0.000 0.824 225 Q CB 2.649 31.285 28.738 -0.172 0.000 1.367 225 Q HN 0.458 nan 8.270 nan 0.000 0.443 226 K N 0.686 120.393 120.400 -1.155 0.000 2.258 226 K HA 0.402 4.723 4.320 0.002 0.000 0.236 226 K C -0.582 175.686 176.600 -0.553 0.000 1.008 226 K CA -0.869 54.745 56.287 -1.120 0.000 0.869 226 K CB 0.968 32.588 32.500 -1.466 0.000 1.171 226 K HN 0.402 nan 8.250 nan 0.000 0.447 227 N N 1.768 120.217 118.700 -0.418 0.000 2.407 227 N HA 0.089 4.830 4.740 0.002 0.000 0.250 227 N C -2.382 172.945 175.510 -0.304 0.000 1.236 227 N CA -0.817 52.052 53.050 -0.302 0.000 0.879 227 N CB 0.006 38.334 38.487 -0.265 0.000 1.088 227 N HN 0.450 nan 8.380 nan 0.000 0.450 228 P HA 0.168 nan 4.420 nan 0.000 0.272 228 P C -0.587 176.670 177.300 -0.072 0.000 1.223 228 P CA 0.119 63.202 63.100 -0.028 0.000 0.784 228 P CB 0.380 32.085 31.700 0.009 0.000 0.923 229 F N 0.342 120.388 119.950 0.161 0.000 2.421 229 F HA 0.359 4.888 4.527 0.003 0.000 0.337 229 F C 0.897 176.800 175.800 0.171 0.000 1.105 229 F CA 0.110 58.205 58.000 0.159 0.000 1.049 229 F CB 1.089 40.208 39.000 0.198 0.000 1.139 229 F HN 0.057 nan 8.300 nan 0.000 0.479 230 T N 4.771 119.483 114.554 0.263 0.000 2.797 230 T HA 0.563 4.914 4.350 0.002 0.000 0.279 230 T C -0.337 174.461 174.700 0.162 0.000 0.991 230 T CA -0.586 61.618 62.100 0.174 0.000 0.979 230 T CB 0.912 69.830 68.868 0.084 0.000 0.943 230 T HN 0.298 nan 8.240 nan 0.000 0.444 231 L N 3.041 124.348 121.223 0.141 0.000 2.322 231 L HA 0.558 4.900 4.340 0.002 0.000 0.279 231 L C 0.316 177.201 176.870 0.025 0.000 1.036 231 L CA -0.728 54.151 54.840 0.065 0.000 0.807 231 L CB 1.342 43.428 42.059 0.044 0.000 1.226 231 L HN 0.406 nan 8.230 nan 0.000 0.433 232 K N 2.840 123.238 120.400 -0.003 0.000 2.621 232 K HA 0.384 4.705 4.320 0.002 0.000 0.233 232 K C -1.278 175.305 176.600 -0.029 0.000 0.972 232 K CA -0.496 55.786 56.287 -0.008 0.000 0.988 232 K CB 1.893 34.393 32.500 -0.000 0.000 1.187 232 K HN 0.294 nan 8.250 nan 0.000 0.471 233 V N 3.423 123.317 119.914 -0.033 0.000 2.465 233 V HA 0.374 4.495 4.120 0.002 0.000 0.279 233 V C 0.216 176.292 176.094 -0.029 0.000 1.045 233 V CA -0.905 61.369 62.300 -0.044 0.000 0.938 233 V CB 0.844 32.637 31.823 -0.051 0.000 0.986 233 V HN 0.545 nan 8.190 nan 0.000 0.467 234 L N 3.931 125.136 121.223 -0.030 0.000 2.289 234 L HA 0.485 4.826 4.340 0.002 0.000 0.285 234 L C 0.260 177.119 176.870 -0.019 0.000 1.049 234 L CA -0.169 54.659 54.840 -0.021 0.000 0.804 234 L CB 1.633 43.681 42.059 -0.019 0.000 1.195 234 L HN 0.674 nan 8.230 nan 0.000 0.428 235 T N 1.313 115.858 114.554 -0.014 0.000 2.753 235 T HA 0.213 4.564 4.350 0.002 0.000 0.297 235 T C 0.828 175.521 174.700 -0.011 0.000 0.981 235 T CA -0.404 61.689 62.100 -0.013 0.000 0.956 235 T CB 1.629 70.491 68.868 -0.010 0.000 0.936 235 T HN 0.613 nan 8.240 nan 0.000 0.463 236 T N 2.915 117.463 114.554 -0.011 0.000 2.898 236 T HA 0.143 4.494 4.350 0.002 0.000 0.241 236 T C 1.834 176.529 174.700 -0.008 0.000 1.024 236 T CA 0.431 62.526 62.100 -0.009 0.000 1.174 236 T CB 0.244 69.106 68.868 -0.009 0.000 0.873 236 T HN 0.410 nan 8.240 nan 0.000 0.422 237 R N -0.901 119.594 120.500 -0.008 0.000 2.756 237 R HA 0.428 4.770 4.340 0.002 0.000 0.170 237 R C 1.175 177.470 176.300 -0.008 0.000 0.800 237 R CA 0.620 56.715 56.100 -0.007 0.000 1.052 237 R CB 0.907 31.202 30.300 -0.007 0.000 1.437 237 R HN 0.416 nan 8.270 nan 0.000 0.607 238 G N 0.071 108.866 108.800 -0.009 0.000 3.183 238 G HA2 0.248 4.209 3.960 0.002 0.000 0.140 238 G HA3 0.248 4.209 3.960 0.002 0.000 0.140 238 G C -1.494 173.400 174.900 -0.010 0.000 1.209 238 G CA -0.178 44.917 45.100 -0.009 0.000 1.438 238 G HN -0.049 nan 8.290 nan 0.000 0.700 239 V N 1.932 121.840 119.914 -0.010 0.000 2.439 239 V HA 0.698 4.819 4.120 0.002 0.000 0.277 239 V C 0.405 176.493 176.094 -0.011 0.000 1.008 239 V CA -0.397 61.896 62.300 -0.011 0.000 0.846 239 V CB 0.649 32.466 31.823 -0.010 0.000 1.031 239 V HN 1.211 nan 8.190 nan 0.000 0.441 240 A N 3.820 126.633 122.820 -0.011 0.000 2.462 240 A HA 0.496 4.818 4.320 0.002 0.000 0.243 240 A C 0.281 177.857 177.584 -0.013 0.000 1.076 240 A CA -0.057 51.973 52.037 -0.012 0.000 0.773 240 A CB 0.220 19.213 19.000 -0.011 0.000 1.010 240 A HN 0.809 nan 8.150 nan 0.000 0.493 241 E N 1.058 121.250 120.200 -0.014 0.000 2.249 241 E HA 0.477 4.828 4.350 0.002 0.000 0.280 241 E C -0.319 176.269 176.600 -0.019 0.000 1.016 241 E CA -0.177 56.213 56.400 -0.017 0.000 0.830 241 E CB 1.139 30.829 29.700 -0.017 0.000 1.081 241 E HN 0.610 nan 8.360 nan 0.000 0.395 242 R N 0.318 120.804 120.500 -0.023 0.000 2.808 242 R HA 0.281 4.622 4.340 0.002 0.000 0.272 242 R C -0.530 175.747 176.300 -0.039 0.000 0.995 242 R CA -0.736 55.347 56.100 -0.028 0.000 0.917 242 R CB 1.801 32.086 30.300 -0.025 0.000 1.217 242 R HN 0.612 nan 8.270 nan 0.000 0.471 243 T N -0.050 114.477 114.554 -0.045 0.000 2.856 243 T HA 0.219 4.570 4.350 0.002 0.000 0.306 243 T C -1.906 172.745 174.700 -0.083 0.000 1.062 243 T CA -1.091 60.971 62.100 -0.062 0.000 1.083 243 T CB 0.527 69.358 68.868 -0.063 0.000 0.984 243 T HN 0.295 nan 8.240 nan 0.000 0.542 244 P HA 0.356 nan 4.420 nan 0.000 0.274 244 P C -0.729 176.433 177.300 -0.230 0.000 1.237 244 P CA -0.456 62.543 63.100 -0.169 0.000 0.793 244 P CB 1.121 32.699 31.700 -0.204 0.000 0.977 245 S N 1.104 116.651 115.700 -0.255 0.000 2.562 245 S HA 0.493 4.964 4.470 0.002 0.000 0.274 245 S C -1.118 173.355 174.600 -0.212 0.000 1.160 245 S CA -0.648 57.404 58.200 -0.246 0.000 0.933 245 S CB 0.156 63.303 63.200 -0.088 0.000 1.100 245 S HN 0.186 nan 8.310 nan 0.000 0.468 246 F N 4.704 124.666 119.950 0.019 0.000 2.538 246 F HA 0.246 4.774 4.527 0.001 0.000 0.371 246 F C 1.681 177.491 175.800 0.016 0.000 1.087 246 F CA -0.075 57.934 58.000 0.015 0.000 1.250 246 F CB 0.604 39.637 39.000 0.054 0.000 1.110 246 F HN 0.575 nan 8.300 nan 0.000 0.570 247 M N 2.444 122.161 119.600 0.194 0.000 2.369 247 M HA -0.087 4.394 4.480 0.002 0.000 0.254 247 M C 1.799 178.189 176.300 0.150 0.000 1.136 247 M CA 0.936 56.323 55.300 0.144 0.000 1.190 247 M CB -0.435 32.231 32.600 0.111 0.000 1.289 247 M HN 0.698 nan 8.290 nan 0.000 0.468 248 Y N 2.008 122.217 120.300 -0.153 0.000 2.109 248 Y HA 0.080 4.631 4.550 0.001 0.000 0.285 248 Y C -1.445 174.441 175.900 -0.024 0.000 1.131 248 Y CA 0.039 58.059 58.100 -0.133 0.000 1.121 248 Y CB -1.719 36.514 38.460 -0.378 0.000 0.987 248 Y HN 0.008 nan 8.280 nan 0.000 0.495 249 P HA 0.106 nan 4.420 nan 0.000 0.287 249 P C -1.120 176.125 177.300 -0.092 0.000 1.307 249 P CA 0.018 62.780 63.100 -0.562 0.000 0.777 249 P CB 0.721 31.917 31.700 -0.839 0.000 0.883 250 Q N 3.137 122.920 119.800 -0.028 0.000 2.301 250 Q HA 0.384 4.725 4.340 0.002 0.000 0.262 250 Q C 1.034 177.074 176.000 0.068 0.000 1.168 250 Q CA 0.593 56.431 55.803 0.058 0.000 0.908 250 Q CB 0.007 28.782 28.738 0.062 0.000 1.348 250 Q HN 0.807 nan 8.270 nan 0.000 0.441 251 G N 1.841 110.694 108.800 0.088 0.000 2.396 251 G HA2 -0.225 3.736 3.960 0.002 0.000 0.254 251 G HA3 -0.225 3.736 3.960 0.002 0.000 0.254 251 G C 0.341 175.230 174.900 -0.018 0.000 1.248 251 G CA -0.191 44.933 45.100 0.041 0.000 1.033 251 G HN 0.373 nan 8.290 nan 0.000 0.502 252 T N 0.645 115.117 114.554 -0.136 0.000 3.057 252 T HA 0.605 4.956 4.350 0.002 0.000 0.254 252 T C 0.785 175.038 174.700 -0.745 0.000 1.094 252 T CA 1.987 63.907 62.100 -0.300 0.000 1.088 252 T CB 0.192 68.969 68.868 -0.152 0.000 0.934 252 T HN 1.896 nan 8.240 nan 0.000 0.497 253 A N 1.324 123.845 122.820 -0.498 0.000 2.549 253 A HA 0.732 5.053 4.320 0.002 0.000 0.297 253 A C -0.680 176.921 177.584 0.029 0.000 1.061 253 A CA -0.837 51.003 52.037 -0.328 0.000 0.690 253 A CB 1.460 20.371 19.000 -0.148 0.000 1.287 253 A HN 0.244 nan 8.150 nan 0.000 0.402 254 S N 0.219 116.053 115.700 0.222 0.000 2.541 254 S HA 0.803 5.275 4.470 0.002 0.000 0.280 254 S C -0.525 174.110 174.600 0.058 0.000 1.112 254 S CA -0.562 57.701 58.200 0.105 0.000 0.925 254 S CB 1.729 64.939 63.200 0.017 0.000 1.067 254 S HN 1.262 nan 8.310 nan 0.000 0.479 255 S N 1.076 116.789 115.700 0.021 0.000 2.472 255 S HA 0.573 5.045 4.470 0.002 0.000 0.303 255 S C -1.098 173.495 174.600 -0.012 0.000 1.099 255 S CA -0.469 57.738 58.200 0.012 0.000 1.077 255 S CB 0.928 64.137 63.200 0.015 0.000 1.031 255 S HN 0.748 nan 8.310 nan 0.000 0.487 256 Q N 2.688 122.472 119.800 -0.027 0.000 2.359 256 Q HA 0.435 4.776 4.340 0.002 0.000 0.274 256 Q C -1.346 174.620 176.000 -0.056 0.000 1.074 256 Q CA -0.718 55.053 55.803 -0.053 0.000 0.810 256 Q CB 2.188 30.869 28.738 -0.095 0.000 1.342 256 Q HN 0.552 nan 8.270 nan 0.000 0.427 257 M N 3.423 122.989 119.600 -0.057 0.000 2.243 257 M HA 0.504 4.985 4.480 0.002 0.000 0.324 257 M C -1.993 174.249 176.300 -0.096 0.000 1.031 257 M CA -0.692 54.570 55.300 -0.062 0.000 0.949 257 M CB 1.370 33.952 32.600 -0.031 0.000 1.615 257 M HN 0.474 nan 8.290 nan 0.000 0.430 258 V N 6.191 126.031 119.914 -0.125 0.000 2.638 258 V HA 0.477 4.598 4.120 0.002 0.000 0.306 258 V C -0.177 175.809 176.094 -0.181 0.000 1.052 258 V CA -0.821 61.389 62.300 -0.149 0.000 0.885 258 V CB 2.342 34.070 31.823 -0.159 0.000 0.999 258 V HN 0.833 nan 8.190 nan 0.000 0.424 259 L N 3.943 125.046 121.223 -0.200 0.000 2.417 259 L HA 0.476 4.817 4.340 0.002 0.000 0.268 259 L C 0.925 177.667 176.870 -0.213 0.000 1.158 259 L CA -0.283 54.409 54.840 -0.247 0.000 0.819 259 L CB 0.382 42.295 42.059 -0.242 0.000 1.112 259 L HN 0.632 nan 8.230 nan 0.000 0.458 260 R N 1.343 121.699 120.500 -0.239 0.000 2.538 260 R HA 0.140 4.481 4.340 0.002 0.000 0.282 260 R C 0.932 177.102 176.300 -0.217 0.000 1.009 260 R CA 1.144 57.100 56.100 -0.239 0.000 1.063 260 R CB 0.098 30.200 30.300 -0.330 0.000 0.945 260 R HN 0.901 nan 8.270 nan 0.000 0.414 261 G N 3.531 112.225 108.800 -0.177 0.000 2.420 261 G HA2 -0.253 3.708 3.960 0.002 0.000 0.221 261 G HA3 -0.253 3.708 3.960 0.002 0.000 0.221 261 G C 0.108 174.933 174.900 -0.124 0.000 1.117 261 G CA 0.058 45.072 45.100 -0.145 0.000 0.657 261 G HN 0.493 nan 8.290 nan 0.000 0.512 262 M N 1.965 121.485 119.600 -0.133 0.000 2.232 262 M HA 0.362 4.843 4.480 0.002 0.000 0.321 262 M C 0.210 176.433 176.300 -0.129 0.000 1.101 262 M CA -0.263 54.964 55.300 -0.121 0.000 1.181 262 M CB -0.051 32.475 32.600 -0.124 0.000 1.432 262 M HN 0.223 nan 8.290 nan 0.000 0.457 263 D N 1.638 121.963 120.400 -0.125 0.000 2.339 263 D HA 0.317 4.958 4.640 0.002 0.000 0.245 263 D C -0.537 175.661 176.300 -0.171 0.000 1.115 263 D CA -0.206 53.709 54.000 -0.141 0.000 0.917 263 D CB 1.091 41.814 40.800 -0.127 0.000 1.192 263 D HN 0.361 nan 8.370 nan 0.000 0.428 264 L N 2.719 123.819 121.223 -0.204 0.000 2.342 264 L HA 0.402 4.743 4.340 0.002 0.000 0.276 264 L C -1.613 175.079 176.870 -0.297 0.000 0.997 264 L CA -0.494 54.197 54.840 -0.248 0.000 0.838 264 L CB 0.777 42.678 42.059 -0.263 0.000 1.224 264 L HN 0.232 nan 8.230 nan 0.000 0.416 265 L N 5.723 126.772 121.223 -0.290 0.000 2.317 265 L HA 0.545 4.886 4.340 0.002 0.000 0.281 265 L C -0.815 175.871 176.870 -0.307 0.000 1.024 265 L CA -0.699 53.961 54.840 -0.301 0.000 0.810 265 L CB 2.050 43.958 42.059 -0.252 0.000 1.240 265 L HN 0.612 nan 8.230 nan 0.000 0.427 266 L N 4.018 125.015 121.223 -0.376 0.000 2.362 266 L HA 0.498 4.839 4.340 0.002 0.000 0.275 266 L C -0.713 176.051 176.870 -0.177 0.000 0.998 266 L CA -0.556 54.077 54.840 -0.345 0.000 0.820 266 L CB 2.151 43.848 42.059 -0.603 0.000 1.270 266 L HN 0.566 nan 8.230 nan 0.000 0.415 267 E N 2.309 122.544 120.200 0.058 0.000 2.234 267 E HA 0.430 4.781 4.350 0.002 0.000 0.266 267 E C -1.539 175.190 176.600 0.215 0.000 0.877 267 E CA -0.598 55.948 56.400 0.243 0.000 0.758 267 E CB 2.645 32.547 29.700 0.337 0.000 1.170 267 E HN 0.414 nan 8.360 nan 0.000 0.415 268 c N 4.170 122.947 118.600 0.295 0.000 2.386 268 c HA 0.485 5.056 4.570 0.002 0.000 0.318 268 c C -0.704 173.460 174.090 0.124 0.000 1.128 268 c CA -0.480 55.873 56.329 0.040 0.000 1.438 268 c CB -0.678 41.743 42.510 -0.149 0.000 1.987 268 c HN 0.603 nan 8.230 nan 0.000 0.426 269 I N 3.699 124.326 120.570 0.095 0.000 2.404 269 I HA 0.712 4.884 4.170 0.002 0.000 0.293 269 I C 0.354 176.556 176.117 0.142 0.000 0.992 269 I CA 0.305 61.632 61.300 0.045 0.000 1.149 269 I CB 1.536 39.398 38.000 -0.230 0.000 1.315 269 I HN 0.668 nan 8.210 nan 0.000 0.446 270 A N 3.887 126.772 122.820 0.109 0.000 2.435 270 A HA 0.836 5.157 4.320 0.002 0.000 0.304 270 A C -0.607 176.974 177.584 -0.005 0.000 1.064 270 A CA -0.607 51.455 52.037 0.042 0.000 0.727 270 A CB 1.511 20.451 19.000 -0.101 0.000 1.284 270 A HN 0.641 nan 8.150 nan 0.000 0.415 271 S N 0.917 116.605 115.700 -0.021 0.000 2.429 271 S HA 0.809 5.280 4.470 0.002 0.000 0.302 271 S C 0.164 174.741 174.600 -0.037 0.000 1.115 271 S CA 0.070 58.268 58.200 -0.003 0.000 1.095 271 S CB 1.129 64.346 63.200 0.028 0.000 0.987 271 S HN 1.801 nan 8.310 nan 0.000 0.474 272 G N 0.871 109.655 108.800 -0.027 0.000 2.921 272 G HA2 0.570 4.531 3.960 0.002 0.000 0.291 272 G HA3 0.570 4.531 3.960 0.002 0.000 0.291 272 G C 0.175 175.063 174.900 -0.021 0.000 1.370 272 G CA -0.285 44.792 45.100 -0.038 0.000 0.847 272 G HN 0.938 nan 8.290 nan 0.000 0.532 273 V N -1.839 118.061 119.914 -0.023 0.000 2.521 273 V HA 0.197 4.319 4.120 0.002 0.000 0.239 273 V C -1.037 175.048 176.094 -0.014 0.000 1.053 273 V CA 0.600 62.891 62.300 -0.015 0.000 1.073 273 V CB -0.746 31.067 31.823 -0.017 0.000 0.746 273 V HN 0.443 nan 8.190 nan 0.000 0.476 274 P HA 0.212 nan 4.420 nan 0.000 0.255 274 P C -0.175 177.115 177.300 -0.017 0.000 1.301 274 P CA 0.542 63.632 63.100 -0.016 0.000 0.817 274 P CB -0.172 31.517 31.700 -0.017 0.000 1.259 275 T N 0.215 114.759 114.554 -0.018 0.000 0.690 275 T HA -0.087 4.264 4.350 0.002 0.000 0.758 275 T C -2.615 172.073 174.700 -0.020 0.000 0.990 275 T CA -0.671 61.419 62.100 -0.017 0.000 3.999 275 T CB -0.981 67.877 68.868 -0.017 0.000 2.259 275 T HN 0.043 nan 8.240 nan 0.000 0.391 276 P HA 0.225 nan 4.420 nan 0.000 0.266 276 P C -0.347 176.947 177.300 -0.009 0.000 1.195 276 P CA -0.086 62.995 63.100 -0.033 0.000 0.768 276 P CB 0.484 32.146 31.700 -0.063 0.000 0.838 277 D N 3.383 123.780 120.400 -0.006 0.000 2.303 277 D HA 0.247 4.888 4.640 0.002 0.000 0.236 277 D C 0.104 176.405 176.300 0.002 0.000 1.068 277 D CA -0.179 53.827 54.000 0.010 0.000 0.830 277 D CB 1.212 42.018 40.800 0.010 0.000 1.109 277 D HN 0.125 nan 8.370 nan 0.000 0.496 278 I N 1.085 121.654 120.570 -0.003 0.000 2.396 278 I HA 0.468 4.639 4.170 0.002 0.000 0.292 278 I C 0.410 176.443 176.117 -0.141 0.000 0.999 278 I CA -0.842 60.400 61.300 -0.096 0.000 1.310 278 I CB 0.851 38.763 38.000 -0.147 0.000 1.404 278 I HN 0.262 nan 8.210 nan 0.000 0.496 279 A N 6.493 129.200 122.820 -0.188 0.000 2.343 279 A HA 0.654 4.975 4.320 0.002 0.000 0.308 279 A C -1.511 175.880 177.584 -0.321 0.000 1.092 279 A CA -0.515 51.441 52.037 -0.136 0.000 0.751 279 A CB 0.625 19.717 19.000 0.153 0.000 1.203 279 A HN 0.681 nan 8.150 nan 0.000 0.452 280 W N 1.101 122.275 121.300 -0.209 0.000 2.449 280 W HA 0.673 5.333 4.660 0.001 0.000 0.331 280 W C -0.617 175.422 176.519 -0.799 0.000 1.119 280 W CA 0.362 57.557 57.345 -0.250 0.000 1.240 280 W CB 1.038 30.490 29.460 -0.014 0.000 1.251 280 W HN 0.635 nan 8.180 nan 0.000 0.576 281 Y N 0.436 120.713 120.300 -0.038 0.000 2.625 281 Y HA 0.422 4.972 4.550 0.001 0.000 0.338 281 Y C -0.480 175.093 175.900 -0.544 0.000 1.123 281 Y CA -1.790 56.086 58.100 -0.373 0.000 1.046 281 Y CB 1.977 40.020 38.460 -0.695 0.000 1.299 281 Y HN 0.237 nan 8.280 nan 0.000 0.464 282 K N 1.428 121.659 120.400 -0.282 0.000 2.371 282 K HA 0.484 4.805 4.320 0.002 0.000 0.251 282 K C -1.468 175.034 176.600 -0.164 0.000 0.934 282 K CA -0.885 55.179 56.287 -0.372 0.000 0.798 282 K CB 1.337 33.550 32.500 -0.479 0.000 1.204 282 K HN 0.620 nan 8.250 nan 0.000 0.427 283 K N 1.571 121.934 120.400 -0.063 0.000 2.349 283 K HA 0.183 4.505 4.320 0.002 0.000 0.288 283 K C 0.097 176.701 176.600 0.005 0.000 1.058 283 K CA 0.530 56.869 56.287 0.088 0.000 0.953 283 K CB 0.864 33.453 32.500 0.149 0.000 0.997 283 K HN 0.900 nan 8.250 nan 0.000 0.477 284 G N 1.861 110.678 108.800 0.028 0.000 2.401 284 G HA2 -0.007 3.955 3.960 0.002 0.000 0.283 284 G HA3 -0.007 3.955 3.960 0.002 0.000 0.283 284 G C 0.197 175.085 174.900 -0.019 0.000 1.117 284 G CA -0.273 44.831 45.100 0.006 0.000 1.051 284 G HN 1.093 nan 8.290 nan 0.000 0.510 285 G N -0.597 108.196 108.800 -0.012 0.000 2.317 285 G HA2 0.473 4.434 3.960 0.002 0.000 0.445 285 G HA3 0.473 4.434 3.960 0.002 0.000 0.445 285 G C -0.709 174.173 174.900 -0.030 0.000 1.486 285 G CA -0.095 44.991 45.100 -0.024 0.000 0.991 285 G HN 0.500 nan 8.290 nan 0.000 0.660 286 D N -0.184 120.206 120.400 -0.017 0.000 2.387 286 D HA 0.526 5.167 4.640 0.002 0.000 0.251 286 D C 0.850 177.126 176.300 -0.041 0.000 1.141 286 D CA -0.191 53.804 54.000 -0.008 0.000 0.987 286 D CB 1.230 42.039 40.800 0.015 0.000 1.116 286 D HN 0.417 nan 8.370 nan 0.000 0.491 287 L N 0.862 122.066 121.223 -0.030 0.000 2.395 287 L HA 0.243 4.584 4.340 0.002 0.000 0.269 287 L C -1.962 174.893 176.870 -0.025 0.000 1.133 287 L CA -1.699 53.117 54.840 -0.039 0.000 0.812 287 L CB -0.092 41.949 42.059 -0.030 0.000 1.125 287 L HN 0.040 nan 8.230 nan 0.000 0.452 288 P HA -0.029 nan 4.420 nan 0.000 0.258 288 P C 0.738 178.022 177.300 -0.027 0.000 1.214 288 P CA 0.087 63.170 63.100 -0.029 0.000 0.872 288 P CB 0.522 32.200 31.700 -0.037 0.000 0.890 289 S N 2.488 118.185 115.700 -0.005 0.000 2.402 289 S HA -0.228 4.243 4.470 0.002 0.000 0.233 289 S C 1.468 176.069 174.600 0.003 0.000 1.030 289 S CA 1.618 59.826 58.200 0.013 0.000 1.003 289 S CB -0.531 62.682 63.200 0.022 0.000 0.813 289 S HN 0.519 nan 8.310 nan 0.000 0.477 290 D N 1.042 121.435 120.400 -0.011 0.000 2.301 290 D HA -0.016 4.625 4.640 0.002 0.000 0.206 290 D C 1.629 177.909 176.300 -0.034 0.000 0.979 290 D CA 0.685 54.675 54.000 -0.016 0.000 0.874 290 D CB -0.325 40.467 40.800 -0.013 0.000 0.968 290 D HN 0.566 nan 8.370 nan 0.000 0.510 291 K N 0.338 120.709 120.400 -0.048 0.000 2.397 291 K HA 0.407 4.728 4.320 0.002 0.000 0.202 291 K C -0.515 176.019 176.600 -0.111 0.000 1.022 291 K CA -0.259 55.987 56.287 -0.069 0.000 1.141 291 K CB 0.587 33.051 32.500 -0.060 0.000 0.857 291 K HN 0.138 nan 8.250 nan 0.000 0.514 292 A N 0.732 123.474 122.820 -0.129 0.000 2.393 292 A HA 0.626 4.947 4.320 0.002 0.000 0.306 292 A C -1.307 176.122 177.584 -0.259 0.000 1.050 292 A CA -0.787 51.109 52.037 -0.234 0.000 0.724 292 A CB 1.241 20.074 19.000 -0.277 0.000 1.248 292 A HN 0.173 nan 8.150 nan 0.000 0.424 293 K N 0.736 120.919 120.400 -0.361 0.000 2.502 293 K HA 0.544 4.865 4.320 0.002 0.000 0.257 293 K C -1.795 174.540 176.600 -0.442 0.000 0.938 293 K CA -0.452 55.677 56.287 -0.262 0.000 0.819 293 K CB 1.953 34.388 32.500 -0.109 0.000 1.333 293 K HN 0.546 nan 8.250 nan 0.000 0.434 294 F N 1.963 121.850 119.950 -0.105 0.000 2.350 294 F HA 0.199 4.730 4.527 0.007 0.000 0.365 294 F C 1.596 177.340 175.800 -0.093 0.000 1.122 294 F CA -0.472 57.473 58.000 -0.092 0.000 1.139 294 F CB 0.977 39.970 39.000 -0.012 0.000 1.220 294 F HN 0.697 nan 8.300 nan 0.000 0.499 295 E N 2.010 122.200 120.200 -0.017 0.000 2.016 295 E HA -0.155 4.196 4.350 0.002 0.000 0.190 295 E C 1.703 178.240 176.600 -0.106 0.000 0.985 295 E CA 0.732 57.096 56.400 -0.061 0.000 0.802 295 E CB 0.160 29.810 29.700 -0.084 0.000 0.762 295 E HN 0.582 nan 8.360 nan 0.000 0.448 296 N N -0.520 118.139 118.700 -0.067 0.000 2.185 296 N HA -0.014 4.727 4.740 0.002 0.000 0.243 296 N C -0.349 174.940 175.510 -0.369 0.000 1.276 296 N CA 0.628 53.576 53.050 -0.170 0.000 0.941 296 N CB -0.116 38.400 38.487 0.048 0.000 1.129 296 N HN -0.023 nan 8.380 nan 0.000 0.417 297 F N 1.089 121.109 119.950 0.116 0.000 2.664 297 F HA 0.431 4.958 4.527 -0.000 0.000 0.322 297 F C 0.586 176.467 175.800 0.136 0.000 1.324 297 F CA -0.336 57.722 58.000 0.098 0.000 1.154 297 F CB -0.618 38.420 39.000 0.062 0.000 1.236 297 F HN 0.398 nan 8.300 nan 0.000 0.532 298 N N -0.109 118.759 118.700 0.280 0.000 2.863 298 N HA -0.265 4.476 4.740 0.002 0.000 0.245 298 N C 1.311 177.126 175.510 0.508 0.000 1.001 298 N CA 0.800 54.092 53.050 0.402 0.000 0.901 298 N CB -0.438 38.197 38.487 0.247 0.000 1.124 298 N HN 0.477 nan 8.380 nan 0.000 0.582 299 K N 0.274 120.907 120.400 0.388 0.000 2.296 299 K HA 0.178 4.499 4.320 0.002 0.000 0.200 299 K C 0.664 177.564 176.600 0.500 0.000 1.048 299 K CA 1.026 57.534 56.287 0.368 0.000 0.966 299 K CB 0.361 33.015 32.500 0.257 0.000 0.754 299 K HN 0.262 nan 8.250 nan 0.000 0.466 300 A N 1.228 124.274 122.820 0.376 0.000 2.414 300 A HA 0.547 4.868 4.320 0.002 0.000 0.306 300 A C -1.641 175.828 177.584 -0.191 0.000 1.054 300 A CA -0.732 51.389 52.037 0.140 0.000 0.724 300 A CB 1.313 20.345 19.000 0.054 0.000 1.267 300 A HN 0.103 nan 8.150 nan 0.000 0.418 301 L N 1.789 122.598 121.223 -0.689 0.000 2.322 301 L HA 0.735 5.076 4.340 0.002 0.000 0.281 301 L C 0.040 176.513 176.870 -0.661 0.000 1.014 301 L CA -0.280 53.967 54.840 -0.988 0.000 0.815 301 L CB 1.425 42.453 42.059 -1.719 0.000 1.247 301 L HN 0.763 nan 8.230 nan 0.000 0.421 302 R N 5.068 125.247 120.500 -0.534 0.000 2.439 302 R HA 0.632 4.973 4.340 0.002 0.000 0.310 302 R C -1.734 174.359 176.300 -0.346 0.000 0.955 302 R CA -0.625 55.248 56.100 -0.378 0.000 0.853 302 R CB 1.074 31.217 30.300 -0.261 0.000 1.171 302 R HN 0.634 nan 8.270 nan 0.000 0.449 303 I N 4.140 124.523 120.570 -0.312 0.000 2.355 303 I HA 0.191 4.362 4.170 0.002 0.000 0.288 303 I C 0.220 176.224 176.117 -0.189 0.000 0.999 303 I CA -0.142 61.014 61.300 -0.240 0.000 1.163 303 I CB 2.008 39.874 38.000 -0.222 0.000 1.316 303 I HN 0.650 nan 8.210 nan 0.000 0.454 304 T N 2.218 116.680 114.554 -0.152 0.000 2.913 304 T HA 0.300 4.652 4.350 0.002 0.000 0.287 304 T C 0.472 175.108 174.700 -0.107 0.000 1.008 304 T CA -0.756 61.269 62.100 -0.124 0.000 1.067 304 T CB 0.810 69.615 68.868 -0.104 0.000 0.996 304 T HN 0.717 nan 8.240 nan 0.000 0.513 305 N N 0.552 119.190 118.700 -0.104 0.000 2.614 305 N HA -0.169 4.572 4.740 0.002 0.000 0.276 305 N C 0.008 175.458 175.510 -0.100 0.000 1.119 305 N CA 0.131 53.123 53.050 -0.096 0.000 0.742 305 N CB -0.688 37.753 38.487 -0.076 0.000 0.900 305 N HN 0.806 nan 8.380 nan 0.000 0.549 306 V N 0.127 119.971 119.914 -0.116 0.000 3.133 306 V HA 0.768 4.889 4.120 0.002 0.000 0.305 306 V C 0.861 176.889 176.094 -0.110 0.000 1.084 306 V CA 0.325 62.560 62.300 -0.108 0.000 1.089 306 V CB 1.744 33.495 31.823 -0.121 0.000 1.073 306 V HN 0.530 nan 8.190 nan 0.000 0.477 307 S N 0.585 116.233 115.700 -0.087 0.000 2.806 307 S HA 0.551 5.022 4.470 0.002 0.000 0.306 307 S C 0.326 174.887 174.600 -0.064 0.000 1.167 307 S CA -0.418 57.731 58.200 -0.086 0.000 0.847 307 S CB 1.582 64.749 63.200 -0.055 0.000 1.216 307 S HN 0.655 nan 8.310 nan 0.000 0.532 308 E N 0.618 120.788 120.200 -0.049 0.000 2.418 308 E HA 0.056 4.407 4.350 0.002 0.000 0.197 308 E C 1.232 177.825 176.600 -0.011 0.000 1.026 308 E CA 0.785 57.168 56.400 -0.029 0.000 0.862 308 E CB -0.180 29.513 29.700 -0.012 0.000 0.799 308 E HN 0.696 nan 8.360 nan 0.000 0.518 309 E N 0.097 120.291 120.200 -0.010 0.000 2.371 309 E HA -0.066 4.285 4.350 0.002 0.000 0.194 309 E C 0.625 177.227 176.600 0.002 0.000 1.012 309 E CA 0.437 56.835 56.400 -0.004 0.000 0.860 309 E CB 0.227 29.923 29.700 -0.006 0.000 0.811 309 E HN 0.229 nan 8.360 nan 0.000 0.502 310 D N 0.679 121.086 120.400 0.011 0.000 2.340 310 D HA -0.016 4.625 4.640 0.002 0.000 0.220 310 D C 0.506 176.880 176.300 0.124 0.000 1.039 310 D CA 0.267 54.304 54.000 0.062 0.000 0.866 310 D CB 0.295 41.123 40.800 0.046 0.000 0.913 310 D HN -0.072 nan 8.370 nan 0.000 0.523 311 S N -0.070 115.668 115.700 0.063 0.000 2.533 311 S HA 0.453 4.924 4.470 0.002 0.000 0.282 311 S C 0.421 175.075 174.600 0.089 0.000 1.304 311 S CA 0.224 58.468 58.200 0.075 0.000 1.063 311 S CB 0.738 63.952 63.200 0.024 0.000 0.881 311 S HN 0.354 nan 8.310 nan 0.000 0.493 312 G N 3.759 112.649 108.800 0.150 0.000 2.441 312 G HA2 0.304 4.265 3.960 0.002 0.000 0.225 312 G HA3 0.304 4.265 3.960 0.002 0.000 0.225 312 G C -1.958 173.040 174.900 0.163 0.000 1.200 312 G CA -0.735 44.418 45.100 0.088 0.000 0.947 312 G HN 0.609 nan 8.290 nan 0.000 0.484 313 E N -0.044 120.213 120.200 0.094 0.000 2.191 313 E HA 0.566 4.917 4.350 0.002 0.000 0.263 313 E C -1.618 175.089 176.600 0.179 0.000 0.881 313 E CA -0.456 56.063 56.400 0.198 0.000 0.757 313 E CB 2.190 31.985 29.700 0.157 0.000 1.147 313 E HN 0.360 nan 8.360 nan 0.000 0.414 314 Y N 1.754 122.128 120.300 0.122 0.000 2.549 314 Y HA 0.589 5.140 4.550 0.001 0.000 0.339 314 Y C -0.214 175.841 175.900 0.258 0.000 1.053 314 Y CA -1.236 56.922 58.100 0.097 0.000 1.105 314 Y CB 1.167 39.661 38.460 0.056 0.000 1.258 314 Y HN 0.443 nan 8.280 nan 0.000 0.478 315 F N -0.488 119.725 119.950 0.438 0.000 2.654 315 F HA 0.732 5.259 4.527 0.001 0.000 0.308 315 F C -1.212 174.765 175.800 0.295 0.000 1.108 315 F CA -1.925 56.270 58.000 0.324 0.000 0.957 315 F CB 0.573 39.694 39.000 0.202 0.000 1.309 315 F HN 0.667 nan 8.300 nan 0.000 0.446 316 c N 2.048 120.857 118.600 0.348 0.000 2.779 316 c HA 0.930 5.501 4.570 0.002 0.000 0.314 316 c C -1.411 172.838 174.090 0.265 0.000 1.231 316 c CA -0.851 55.454 56.329 -0.040 0.000 1.652 316 c CB 1.148 43.085 42.510 -0.955 0.000 2.198 316 c HN 0.923 nan 8.230 nan 0.000 0.483 317 L N 2.779 124.131 121.223 0.215 0.000 2.333 317 L HA 0.685 5.026 4.340 0.002 0.000 0.280 317 L C 0.532 177.470 176.870 0.113 0.000 1.004 317 L CA -0.382 54.590 54.840 0.220 0.000 0.820 317 L CB 1.528 43.715 42.059 0.214 0.000 1.247 317 L HN 1.021 nan 8.230 nan 0.000 0.416 318 A N 2.070 124.924 122.820 0.058 0.000 2.582 318 A HA 0.547 4.868 4.320 0.002 0.000 0.336 318 A C 0.298 177.842 177.584 -0.067 0.000 1.445 318 A CA -0.388 51.617 52.037 -0.053 0.000 0.997 318 A CB -0.134 18.712 19.000 -0.256 0.000 1.148 318 A HN 0.675 nan 8.150 nan 0.000 0.514 319 S N 2.440 118.127 115.700 -0.022 0.000 2.499 319 S HA 0.322 4.793 4.470 0.002 0.000 0.275 319 S C 0.316 174.896 174.600 -0.033 0.000 1.257 319 S CA -0.305 57.882 58.200 -0.021 0.000 1.050 319 S CB 1.114 64.318 63.200 0.006 0.000 0.937 319 S HN 0.707 nan 8.310 nan 0.000 0.490 320 N N 3.037 121.713 118.700 -0.041 0.000 2.477 320 N HA 0.398 5.139 4.740 0.002 0.000 0.167 320 N C 0.682 176.175 175.510 -0.029 0.000 1.351 320 N CA 0.101 53.127 53.050 -0.040 0.000 1.087 320 N CB 0.272 38.725 38.487 -0.056 0.000 1.263 320 N HN 0.729 nan 8.380 nan 0.000 0.408 321 K N -1.835 118.546 120.400 -0.031 0.000 2.907 321 K HA 0.185 4.506 4.320 0.002 0.000 0.175 321 K C 1.143 177.727 176.600 -0.026 0.000 1.860 321 K CA 0.043 56.315 56.287 -0.024 0.000 1.404 321 K CB -0.146 32.342 32.500 -0.020 0.000 2.100 321 K HN 0.076 nan 8.250 nan 0.000 0.616 322 M N 0.975 120.557 119.600 -0.031 0.000 2.248 322 M HA 0.210 4.691 4.480 0.002 0.000 0.265 322 M C 0.924 177.202 176.300 -0.036 0.000 1.079 322 M CA 1.295 56.577 55.300 -0.031 0.000 1.150 322 M CB 0.869 33.450 32.600 -0.032 0.000 1.366 322 M HN 0.265 nan 8.290 nan 0.000 0.433 323 G N -2.094 106.679 108.800 -0.046 0.000 2.721 323 G HA2 0.593 4.554 3.960 0.002 0.000 0.296 323 G HA3 0.593 4.554 3.960 0.002 0.000 0.296 323 G C -1.560 173.302 174.900 -0.063 0.000 1.383 323 G CA -0.531 44.537 45.100 -0.053 0.000 0.788 323 G HN -0.055 nan 8.290 nan 0.000 0.500 324 S N 0.009 115.668 115.700 -0.069 0.000 2.653 324 S HA 0.464 4.935 4.470 0.002 0.000 0.268 324 S C -0.534 174.020 174.600 -0.077 0.000 1.153 324 S CA -0.794 57.362 58.200 -0.073 0.000 1.036 324 S CB 0.301 63.474 63.200 -0.044 0.000 1.103 324 S HN 1.151 nan 8.310 nan 0.000 0.466 325 I N 2.034 122.532 120.570 -0.119 0.000 2.924 325 I HA 0.721 4.892 4.170 0.002 0.000 0.316 325 I C -0.254 175.900 176.117 0.061 0.000 1.014 325 I CA -1.167 60.087 61.300 -0.077 0.000 1.106 325 I CB 1.365 39.277 38.000 -0.147 0.000 1.311 325 I HN 0.814 nan 8.210 nan 0.000 0.502 326 R N 1.892 122.492 120.500 0.166 0.000 2.670 326 R HA 0.402 4.743 4.340 0.002 0.000 0.289 326 R C -1.495 174.997 176.300 0.319 0.000 0.965 326 R CA -0.566 55.676 56.100 0.237 0.000 0.899 326 R CB 1.201 31.482 30.300 -0.032 0.000 1.173 326 R HN 0.862 nan 8.270 nan 0.000 0.456 327 H N 2.183 121.345 119.070 0.154 0.000 2.646 327 H HA 0.288 4.845 4.556 0.002 0.000 0.328 327 H C -1.368 173.979 175.328 0.032 0.000 0.998 327 H CA -0.139 55.830 56.048 -0.132 0.000 1.225 327 H CB 1.926 31.201 29.762 -0.813 0.000 1.457 327 H HN 0.522 nan 8.280 nan 0.000 0.505 328 T N 6.924 121.487 114.554 0.014 0.000 2.744 328 T HA 0.393 4.744 4.350 0.002 0.000 0.291 328 T C 0.609 175.467 174.700 0.263 0.000 0.957 328 T CA -0.456 61.775 62.100 0.218 0.000 1.002 328 T CB -0.033 68.892 68.868 0.095 0.000 0.919 328 T HN 0.439 nan 8.240 nan 0.000 0.468 329 I N 3.355 124.121 120.570 0.327 0.000 2.339 329 I HA 0.262 4.433 4.170 0.002 0.000 0.290 329 I C 0.351 176.579 176.117 0.185 0.000 0.994 329 I CA -0.501 60.930 61.300 0.219 0.000 1.191 329 I CB 1.571 39.652 38.000 0.135 0.000 1.343 329 I HN 0.481 nan 8.210 nan 0.000 0.458 330 S N 5.738 121.510 115.700 0.120 0.000 2.430 330 S HA 0.372 4.843 4.470 0.002 0.000 0.289 330 S C -0.138 174.499 174.600 0.063 0.000 1.143 330 S CA -0.560 57.703 58.200 0.104 0.000 1.067 330 S CB 1.053 64.294 63.200 0.069 0.000 0.964 330 S HN 0.312 nan 8.310 nan 0.000 0.485 331 V N 5.942 125.906 119.914 0.082 0.000 2.334 331 V HA 0.410 4.532 4.120 0.002 0.000 0.281 331 V C 0.213 176.322 176.094 0.026 0.000 1.016 331 V CA -0.843 61.464 62.300 0.012 0.000 0.832 331 V CB 0.758 32.548 31.823 -0.054 0.000 0.999 331 V HN 0.822 nan 8.190 nan 0.000 0.439 332 R N 3.766 124.263 120.500 -0.006 0.000 2.532 332 R HA 0.859 5.200 4.340 0.002 0.000 0.295 332 R C -1.428 174.845 176.300 -0.046 0.000 0.968 332 R CA -0.781 55.313 56.100 -0.009 0.000 0.916 332 R CB 1.908 32.207 30.300 -0.002 0.000 1.124 332 R HN 0.325 nan 8.270 nan 0.000 0.463 333 V N 3.443 123.325 119.914 -0.053 0.000 2.409 333 V HA 0.336 4.457 4.120 0.002 0.000 0.291 333 V C -0.348 175.676 176.094 -0.117 0.000 1.020 333 V CA -0.840 61.403 62.300 -0.096 0.000 0.848 333 V CB 1.405 33.176 31.823 -0.087 0.000 0.990 333 V HN 0.690 nan 8.190 nan 0.000 0.430 334 K N 2.773 123.058 120.400 -0.191 0.000 2.393 334 K HA 0.961 5.282 4.320 0.002 0.000 0.241 334 K C -0.389 176.044 176.600 -0.278 0.000 1.055 334 K CA -0.810 55.337 56.287 -0.235 0.000 0.951 334 K CB 1.990 34.245 32.500 -0.410 0.000 1.285 334 K HN 0.746 nan 8.250 nan 0.000 0.500 335 A N -0.183 122.487 122.820 -0.250 0.000 2.488 335 A HA 0.680 5.001 4.320 0.002 0.000 0.298 335 A C -1.158 176.338 177.584 -0.147 0.000 1.044 335 A CA -0.614 51.278 52.037 -0.242 0.000 0.693 335 A CB 1.379 20.223 19.000 -0.260 0.000 1.272 335 A HN 0.587 nan 8.150 nan 0.000 0.402 336 A N 2.951 125.672 122.820 -0.165 0.000 2.388 336 A HA 0.699 5.020 4.320 0.002 0.000 0.257 336 A C -2.447 175.092 177.584 -0.075 0.000 1.095 336 A CA -1.373 50.615 52.037 -0.082 0.000 0.791 336 A CB -0.541 18.392 19.000 -0.113 0.000 1.029 336 A HN 0.545 nan 8.150 nan 0.000 0.489 337 P HA 0.113 nan 4.420 nan 0.000 0.261 337 P C -1.022 176.252 177.300 -0.043 0.000 1.165 337 P CA 1.120 64.194 63.100 -0.044 0.000 0.759 337 P CB -0.168 31.424 31.700 -0.179 0.000 0.772 338 Y N -0.394 119.726 120.300 -0.300 0.000 2.477 338 Y HA 0.569 5.120 4.550 0.002 0.000 0.347 338 Y C -0.689 175.057 175.900 -0.256 0.000 0.981 338 Y CA -1.864 56.063 58.100 -0.289 0.000 1.033 338 Y CB 0.976 39.356 38.460 -0.133 0.000 1.245 338 Y HN 0.279 nan 8.280 nan 0.000 0.455 339 W N 3.922 125.211 121.300 -0.019 0.000 2.251 339 W HA 0.227 4.889 4.660 0.002 0.000 0.327 339 W C 0.524 176.920 176.519 -0.206 0.000 1.361 339 W CA -0.399 56.882 57.345 -0.107 0.000 1.234 339 W CB 0.847 30.282 29.460 -0.042 0.000 1.212 339 W HN 0.652 nan 8.180 nan 0.000 0.557 340 L N 1.832 123.125 121.223 0.115 0.000 2.388 340 L HA 0.226 4.567 4.340 0.002 0.000 0.209 340 L C -0.191 176.711 176.870 0.054 0.000 1.061 340 L CA 1.184 56.011 54.840 -0.021 0.000 0.834 340 L CB 0.242 42.262 42.059 -0.066 0.000 1.029 340 L HN 0.366 nan 8.230 nan 0.000 0.473 341 D N -0.133 120.336 120.400 0.114 0.000 2.318 341 D HA 0.104 4.746 4.640 0.002 0.000 0.233 341 D C -1.041 175.193 176.300 -0.110 0.000 1.348 341 D CA -0.270 53.737 54.000 0.012 0.000 0.983 341 D CB 0.837 41.641 40.800 0.006 0.000 1.416 341 D HN 0.116 nan 8.370 nan 0.000 0.558 342 E N 3.759 123.744 120.200 -0.357 0.000 2.338 342 E HA 0.269 4.620 4.350 0.002 0.000 0.272 342 E C -1.962 174.303 176.600 -0.558 0.000 1.029 342 E CA -1.678 54.150 56.400 -0.953 0.000 0.872 342 E CB 0.767 29.758 29.700 -1.181 0.000 1.015 342 E HN 0.182 nan 8.360 nan 0.000 0.417 343 P HA -0.025 nan 4.420 nan 0.000 0.264 343 P C -1.224 175.952 177.300 -0.207 0.000 1.193 343 P CA 0.494 63.462 63.100 -0.220 0.000 0.763 343 P CB 0.605 32.255 31.700 -0.083 0.000 0.810 344 K N 2.694 123.015 120.400 -0.132 0.000 2.166 344 K HA 0.329 4.650 4.320 0.002 0.000 0.245 344 K C 0.302 176.836 176.600 -0.109 0.000 0.967 344 K CA -0.858 55.348 56.287 -0.134 0.000 0.863 344 K CB 1.310 33.749 32.500 -0.101 0.000 1.107 344 K HN 0.374 nan 8.250 nan 0.000 0.436 345 N N 0.801 119.398 118.700 -0.172 0.000 2.508 345 N HA 0.112 4.854 4.740 0.002 0.000 0.264 345 N C -0.918 174.627 175.510 0.058 0.000 1.216 345 N CA -0.161 52.790 53.050 -0.165 0.000 0.943 345 N CB 0.516 38.703 38.487 -0.500 0.000 1.113 345 N HN 0.158 nan 8.380 nan 0.000 0.447 346 L N 2.935 124.271 121.223 0.188 0.000 2.287 346 L HA 0.423 4.764 4.340 0.002 0.000 0.287 346 L C -0.996 175.942 176.870 0.114 0.000 1.022 346 L CA -0.700 54.207 54.840 0.111 0.000 0.814 346 L CB 0.883 42.958 42.059 0.026 0.000 1.217 346 L HN 0.487 nan 8.230 nan 0.000 0.420 347 I N 5.392 125.996 120.570 0.056 0.000 2.555 347 I HA 0.341 4.512 4.170 0.002 0.000 0.275 347 I C -0.146 175.947 176.117 -0.039 0.000 1.082 347 I CA 0.141 61.438 61.300 -0.006 0.000 1.167 347 I CB 0.650 38.662 38.000 0.019 0.000 1.312 347 I HN 0.334 nan 8.210 nan 0.000 0.493 348 L N 3.133 124.313 121.223 -0.072 0.000 2.365 348 L HA 0.917 5.258 4.340 0.002 0.000 0.267 348 L C 0.529 177.354 176.870 -0.075 0.000 1.033 348 L CA -1.049 53.750 54.840 -0.069 0.000 0.802 348 L CB 1.457 43.467 42.059 -0.081 0.000 1.267 348 L HN 0.535 nan 8.230 nan 0.000 0.457 349 A N 1.284 124.069 122.820 -0.057 0.000 2.312 349 A HA 0.641 4.963 4.320 0.002 0.000 0.328 349 A C -2.403 175.150 177.584 -0.052 0.000 1.158 349 A CA -1.665 50.340 52.037 -0.053 0.000 0.821 349 A CB 0.396 19.373 19.000 -0.038 0.000 1.170 349 A HN 0.439 nan 8.150 nan 0.000 0.490 350 P HA 0.166 nan 4.420 nan 0.000 0.259 350 P C 0.794 178.077 177.300 -0.029 0.000 1.211 350 P CA 1.594 64.668 63.100 -0.044 0.000 0.810 350 P CB 0.395 32.071 31.700 -0.041 0.000 0.815 351 G N 2.452 111.237 108.800 -0.024 0.000 2.380 351 G HA2 -0.166 3.795 3.960 0.002 0.000 0.197 351 G HA3 -0.166 3.795 3.960 0.002 0.000 0.197 351 G C 0.031 174.926 174.900 -0.009 0.000 1.001 351 G CA -0.398 44.694 45.100 -0.013 0.000 0.668 351 G HN 0.564 nan 8.290 nan 0.000 0.483 352 E N 0.891 121.082 120.200 -0.015 0.000 2.319 352 E HA 0.471 4.822 4.350 0.002 0.000 0.268 352 E C -0.850 175.750 176.600 -0.000 0.000 1.050 352 E CA -0.605 55.789 56.400 -0.010 0.000 0.878 352 E CB 0.619 30.309 29.700 -0.016 0.000 1.066 352 E HN 0.206 nan 8.360 nan 0.000 0.406 353 D N 0.530 120.936 120.400 0.010 0.000 2.225 353 D HA 0.551 5.192 4.640 0.002 0.000 0.249 353 D C -0.377 175.943 176.300 0.035 0.000 1.052 353 D CA -0.105 53.914 54.000 0.031 0.000 0.909 353 D CB 1.812 42.626 40.800 0.024 0.000 1.186 353 D HN 0.477 nan 8.370 nan 0.000 0.431 354 G N -0.099 108.747 108.800 0.077 0.000 2.692 354 G HA2 0.636 4.597 3.960 0.002 0.000 0.291 354 G HA3 0.636 4.597 3.960 0.002 0.000 0.291 354 G C -1.338 173.634 174.900 0.119 0.000 1.423 354 G CA -0.922 44.224 45.100 0.077 0.000 0.843 354 G HN 0.399 nan 8.290 nan 0.000 0.486 355 R N 0.290 120.830 120.500 0.066 0.000 2.795 355 R HA 0.631 4.972 4.340 0.002 0.000 0.275 355 R C -1.866 174.436 176.300 0.004 0.000 0.981 355 R CA -1.076 55.032 56.100 0.013 0.000 0.917 355 R CB 1.436 31.721 30.300 -0.025 0.000 1.202 355 R HN 0.438 nan 8.270 nan 0.000 0.469 356 L N 2.567 123.745 121.223 -0.075 0.000 2.324 356 L HA 0.411 4.752 4.340 0.002 0.000 0.274 356 L C -0.845 176.033 176.870 0.012 0.000 1.012 356 L CA -1.053 53.758 54.840 -0.049 0.000 0.859 356 L CB 1.927 43.884 42.059 -0.171 0.000 1.224 356 L HN 0.355 nan 8.230 nan 0.000 0.429 357 V N 1.998 121.952 119.914 0.067 0.000 2.398 357 V HA 0.305 4.426 4.120 0.002 0.000 0.286 357 V C -0.154 176.029 176.094 0.148 0.000 1.026 357 V CA -0.632 61.737 62.300 0.116 0.000 0.868 357 V CB 1.859 33.712 31.823 0.050 0.000 0.982 357 V HN 0.839 nan 8.190 nan 0.000 0.443 358 c N 8.323 127.070 118.600 0.246 0.000 2.386 358 c HA 0.755 5.327 4.570 0.002 0.000 0.318 358 c C -0.141 174.069 174.090 0.201 0.000 1.128 358 c CA -0.623 55.799 56.329 0.155 0.000 1.438 358 c CB -0.438 42.097 42.510 0.042 0.000 1.987 358 c HN 1.053 nan 8.230 nan 0.000 0.426 359 R N 4.445 125.087 120.500 0.236 0.000 2.621 359 R HA 0.893 5.234 4.340 0.002 0.000 0.284 359 R C -1.286 175.180 176.300 0.278 0.000 0.998 359 R CA -0.396 55.829 56.100 0.208 0.000 0.895 359 R CB 1.628 31.994 30.300 0.109 0.000 1.195 359 R HN 0.730 nan 8.270 nan 0.000 0.450 360 A N 2.243 125.125 122.820 0.104 0.000 2.515 360 A HA 0.446 4.767 4.320 0.002 0.000 0.298 360 A C -1.395 176.105 177.584 -0.141 0.000 1.059 360 A CA -0.933 51.063 52.037 -0.069 0.000 0.698 360 A CB 2.097 20.886 19.000 -0.352 0.000 1.289 360 A HN 0.824 nan 8.150 nan 0.000 0.404 361 N N -0.019 118.503 118.700 -0.297 0.000 2.524 361 N HA 0.678 5.419 4.740 0.002 0.000 0.283 361 N C -0.046 175.529 175.510 0.108 0.000 1.142 361 N CA 1.004 53.953 53.050 -0.167 0.000 0.984 361 N CB 1.401 39.693 38.487 -0.324 0.000 1.155 361 N HN 1.135 nan 8.380 nan 0.000 0.467 362 G N 0.978 109.871 108.800 0.156 0.000 2.579 362 G HA2 0.280 4.241 3.960 0.002 0.000 0.292 362 G HA3 0.280 4.241 3.960 0.002 0.000 0.292 362 G C -1.961 172.997 174.900 0.096 0.000 1.484 362 G CA -0.676 44.520 45.100 0.160 0.000 0.813 362 G HN 0.634 nan 8.290 nan 0.000 0.515 363 N N 1.307 120.048 118.700 0.068 0.000 2.504 363 N HA 0.555 5.297 4.740 0.002 0.000 0.280 363 N C -2.499 173.077 175.510 0.110 0.000 1.052 363 N CA -1.651 51.433 53.050 0.056 0.000 0.887 363 N CB 3.046 41.543 38.487 0.015 0.000 1.323 363 N HN 0.311 nan 8.380 nan 0.000 0.509 364 P HA 0.085 nan 4.420 nan 0.000 0.274 364 P C -0.463 176.868 177.300 0.051 0.000 1.260 364 P CA -0.396 62.744 63.100 0.067 0.000 0.793 364 P CB 0.768 32.499 31.700 0.051 0.000 1.048 365 K N 1.642 122.063 120.400 0.035 0.000 2.472 365 K HA 0.099 4.420 4.320 0.002 0.000 0.280 365 K C -1.732 174.877 176.600 0.015 0.000 1.028 365 K CA -0.850 55.452 56.287 0.025 0.000 1.045 365 K CB -0.847 31.665 32.500 0.020 0.000 0.902 365 K HN 0.421 nan 8.250 nan 0.000 0.478 366 P HA 0.088 nan 4.420 nan 0.000 0.276 366 P C -0.595 176.695 177.300 -0.016 0.000 1.230 366 P CA -0.310 62.783 63.100 -0.012 0.000 0.776 366 P CB 0.576 32.255 31.700 -0.035 0.000 0.888 367 T N 1.691 116.233 114.554 -0.020 0.000 2.910 367 T HA 0.287 4.638 4.350 0.002 0.000 0.293 367 T C 0.308 174.980 174.700 -0.047 0.000 1.015 367 T CA -0.308 61.780 62.100 -0.021 0.000 1.094 367 T CB 0.676 69.534 68.868 -0.017 0.000 0.968 367 T HN 0.133 nan 8.240 nan 0.000 0.521 368 V N 3.164 123.047 119.914 -0.051 0.000 2.513 368 V HA 0.455 4.576 4.120 0.002 0.000 0.299 368 V C -0.224 175.792 176.094 -0.131 0.000 1.035 368 V CA -0.716 61.506 62.300 -0.130 0.000 0.889 368 V CB 1.646 33.392 31.823 -0.128 0.000 0.988 368 V HN 0.821 nan 8.190 nan 0.000 0.440 369 Q N 3.033 122.699 119.800 -0.222 0.000 2.274 369 Q HA 0.390 4.731 4.340 0.002 0.000 0.268 369 Q C -1.775 174.125 176.000 -0.166 0.000 1.015 369 Q CA -0.423 55.313 55.803 -0.113 0.000 0.775 369 Q CB 2.506 31.211 28.738 -0.055 0.000 1.256 369 Q HN 0.740 nan 8.270 nan 0.000 0.442 370 W N 3.394 124.731 121.300 0.062 0.000 2.449 370 W HA 0.612 5.274 4.660 0.002 0.000 0.331 370 W C -0.077 176.492 176.519 0.083 0.000 1.119 370 W CA -0.409 56.991 57.345 0.093 0.000 1.240 370 W CB 1.093 30.625 29.460 0.120 0.000 1.251 370 W HN 0.340 nan 8.180 nan 0.000 0.576 371 M N 2.824 122.637 119.600 0.355 0.000 2.386 371 M HA 0.407 4.888 4.480 0.002 0.000 0.293 371 M C -1.157 175.229 176.300 0.144 0.000 1.120 371 M CA -1.090 54.324 55.300 0.191 0.000 0.909 371 M CB 2.032 34.689 32.600 0.095 0.000 1.661 371 M HN -0.018 nan 8.290 nan 0.000 0.452 372 V N 2.875 122.811 119.914 0.037 0.000 2.347 372 V HA 0.336 4.457 4.120 0.002 0.000 0.280 372 V C 0.242 176.290 176.094 -0.076 0.000 1.021 372 V CA -0.838 61.376 62.300 -0.144 0.000 0.847 372 V CB 0.781 32.479 31.823 -0.209 0.000 0.990 372 V HN 1.032 nan 8.190 nan 0.000 0.444 373 N N 3.886 122.539 118.700 -0.077 0.000 2.725 373 N HA -0.237 4.504 4.740 0.002 0.000 0.249 373 N C 1.227 176.768 175.510 0.051 0.000 1.103 373 N CA 1.573 54.619 53.050 -0.007 0.000 0.707 373 N CB -1.308 37.176 38.487 -0.006 0.000 1.043 373 N HN 1.611 nan 8.380 nan 0.000 0.553 374 G N -0.658 108.159 108.800 0.029 0.000 2.225 374 G HA2 -0.354 3.607 3.960 0.002 0.000 0.254 374 G HA3 -0.354 3.607 3.960 0.002 0.000 0.254 374 G C -0.190 174.769 174.900 0.098 0.000 0.988 374 G CA 0.607 45.746 45.100 0.066 0.000 0.625 374 G HN 0.650 nan 8.290 nan 0.000 0.527 375 E N 1.503 121.746 120.200 0.073 0.000 2.216 375 E HA 0.521 4.872 4.350 0.002 0.000 0.279 375 E C -2.318 174.320 176.600 0.064 0.000 0.997 375 E CA -2.405 54.035 56.400 0.067 0.000 0.817 375 E CB 1.435 31.164 29.700 0.048 0.000 1.096 375 E HN 0.107 nan 8.360 nan 0.000 0.393 376 P HA -0.114 nan 4.420 nan 0.000 0.264 376 P C 0.209 177.560 177.300 0.086 0.000 1.179 376 P CA 0.295 63.441 63.100 0.076 0.000 0.763 376 P CB 0.529 32.266 31.700 0.062 0.000 0.806 377 L N 2.660 123.956 121.223 0.121 0.000 2.376 377 L HA -0.123 4.218 4.340 0.002 0.000 0.219 377 L C 2.211 179.133 176.870 0.086 0.000 1.133 377 L CA 1.471 56.385 54.840 0.122 0.000 0.816 377 L CB -0.434 41.735 42.059 0.183 0.000 0.933 377 L HN 0.412 nan 8.230 nan 0.000 0.449 378 Q N -1.274 118.572 119.800 0.077 0.000 2.230 378 Q HA -0.102 4.240 4.340 0.002 0.000 0.202 378 Q C 1.286 177.312 176.000 0.043 0.000 0.963 378 Q CA 1.483 57.320 55.803 0.056 0.000 0.866 378 Q CB 0.234 29.003 28.738 0.053 0.000 0.931 378 Q HN 0.503 nan 8.270 nan 0.000 0.452 379 S N -0.397 115.330 115.700 0.044 0.000 2.578 379 S HA 0.371 4.842 4.470 0.002 0.000 0.231 379 S C 0.149 174.768 174.600 0.031 0.000 0.994 379 S CA -0.054 58.166 58.200 0.034 0.000 0.956 379 S CB 0.988 64.207 63.200 0.032 0.000 0.870 379 S HN 0.388 nan 8.310 nan 0.000 0.494 380 A N 2.862 125.704 122.820 0.037 0.000 2.366 380 A HA 0.554 4.875 4.320 0.002 0.000 0.249 380 A C -2.502 175.098 177.584 0.027 0.000 1.084 380 A CA -1.231 50.825 52.037 0.031 0.000 0.794 380 A CB -0.566 18.456 19.000 0.036 0.000 1.034 380 A HN 0.122 nan 8.150 nan 0.000 0.491 381 P HA 0.286 nan 4.420 nan 0.000 0.267 381 P C -2.265 175.054 177.300 0.031 0.000 1.205 381 P CA -0.406 62.706 63.100 0.020 0.000 0.765 381 P CB -0.193 31.515 31.700 0.013 0.000 0.828 382 P HA 0.096 nan 4.420 nan 0.000 0.269 382 P C -0.426 176.901 177.300 0.045 0.000 1.217 382 P CA 0.277 63.396 63.100 0.032 0.000 0.783 382 P CB 0.388 32.101 31.700 0.022 0.000 0.898 383 N N 1.733 120.465 118.700 0.053 0.000 2.578 383 N HA 0.190 4.931 4.740 0.002 0.000 0.282 383 N C -2.557 172.988 175.510 0.058 0.000 1.119 383 N CA -1.665 51.429 53.050 0.073 0.000 0.948 383 N CB 1.426 39.990 38.487 0.128 0.000 1.546 383 N HN -0.001 nan 8.380 nan 0.000 0.525 384 P HA 0.159 nan 4.420 nan 0.000 0.229 384 P C 0.034 177.359 177.300 0.042 0.000 1.160 384 P CA 0.776 63.896 63.100 0.033 0.000 0.777 384 P CB 0.341 32.056 31.700 0.026 0.000 0.814 385 N N -1.098 117.650 118.700 0.081 0.000 2.336 385 N HA 0.021 4.762 4.740 0.002 0.000 0.189 385 N C 0.624 176.222 175.510 0.148 0.000 1.113 385 N CA 0.045 53.166 53.050 0.119 0.000 0.858 385 N CB 0.026 38.605 38.487 0.154 0.000 0.970 385 N HN 0.041 nan 8.380 nan 0.000 0.471 386 R N 1.150 121.688 120.500 0.064 0.000 2.460 386 R HA 0.256 4.597 4.340 0.002 0.000 0.303 386 R C -0.971 175.199 176.300 -0.217 0.000 0.968 386 R CA -0.317 55.691 56.100 -0.152 0.000 0.889 386 R CB 0.804 31.078 30.300 -0.044 0.000 1.123 386 R HN 0.009 nan 8.270 nan 0.000 0.455 387 E N 3.930 123.905 120.200 -0.375 0.000 2.218 387 E HA 0.184 4.536 4.350 0.002 0.000 0.263 387 E C -1.131 175.262 176.600 -0.345 0.000 0.879 387 E CA -0.664 55.570 56.400 -0.276 0.000 0.762 387 E CB 2.173 31.742 29.700 -0.219 0.000 1.166 387 E HN 0.457 nan 8.360 nan 0.000 0.415 388 V N -0.174 119.590 119.914 -0.250 0.000 2.347 388 V HA 0.695 4.816 4.120 0.002 0.000 0.280 388 V C 0.411 176.420 176.094 -0.142 0.000 1.021 388 V CA -0.681 61.466 62.300 -0.255 0.000 0.847 388 V CB 1.121 32.823 31.823 -0.202 0.000 0.990 388 V HN 0.653 nan 8.190 nan 0.000 0.444 389 A N 3.648 126.392 122.820 -0.127 0.000 3.003 389 A HA 0.738 5.059 4.320 0.002 0.000 0.301 389 A C 1.578 179.176 177.584 0.023 0.000 1.280 389 A CA 0.422 52.431 52.037 -0.047 0.000 0.973 389 A CB -0.709 18.259 19.000 -0.053 0.000 1.110 389 A HN 2.321 nan 8.150 nan 0.000 0.590 390 G N 1.338 110.176 108.800 0.064 0.000 5.426 390 G HA2 -0.431 3.531 3.960 0.002 0.000 0.297 390 G HA3 -0.431 3.531 3.960 0.002 0.000 0.297 390 G C 1.002 176.105 174.900 0.339 0.000 1.422 390 G CA 0.812 46.011 45.100 0.164 0.000 0.938 390 G HN 0.831 nan 8.290 nan 0.000 0.754 391 D N 0.585 121.142 120.400 0.262 0.000 2.354 391 D HA 0.190 4.831 4.640 0.002 0.000 0.209 391 D C 0.684 177.226 176.300 0.404 0.000 1.015 391 D CA 1.426 55.629 54.000 0.339 0.000 0.867 391 D CB 0.296 41.202 40.800 0.177 0.000 0.933 391 D HN 0.446 nan 8.370 nan 0.000 0.520 392 T N 0.964 115.629 114.554 0.184 0.000 2.881 392 T HA 0.495 4.846 4.350 0.002 0.000 0.290 392 T C -0.316 174.219 174.700 -0.274 0.000 1.000 392 T CA -0.561 61.542 62.100 0.005 0.000 0.978 392 T CB 2.122 70.983 68.868 -0.012 0.000 0.997 392 T HN -0.010 nan 8.240 nan 0.000 0.443 393 I N 3.909 124.170 120.570 -0.516 0.000 2.359 393 I HA 0.469 4.641 4.170 0.002 0.000 0.284 393 I C -0.402 175.321 176.117 -0.658 0.000 1.018 393 I CA -0.658 60.192 61.300 -0.750 0.000 1.173 393 I CB 1.136 38.440 38.000 -1.160 0.000 1.326 393 I HN 0.485 nan 8.210 nan 0.000 0.462 394 I N 6.252 126.497 120.570 -0.540 0.000 2.392 394 I HA 0.431 4.603 4.170 0.002 0.000 0.295 394 I C -1.156 174.677 176.117 -0.473 0.000 0.985 394 I CA -0.329 60.746 61.300 -0.374 0.000 1.221 394 I CB 1.103 38.988 38.000 -0.192 0.000 1.366 394 I HN 0.294 nan 8.210 nan 0.000 0.467 395 F N 6.657 126.529 119.950 -0.129 0.000 2.444 395 F HA 0.557 5.085 4.527 0.002 0.000 0.342 395 F C 0.071 175.831 175.800 -0.067 0.000 1.121 395 F CA -0.570 57.370 58.000 -0.100 0.000 0.997 395 F CB 1.353 40.294 39.000 -0.100 0.000 1.130 395 F HN 0.255 nan 8.300 nan 0.000 0.454 396 R N 2.186 122.762 120.500 0.126 0.000 2.437 396 R HA 0.220 4.561 4.340 0.002 0.000 0.310 396 R C -0.671 175.667 176.300 0.063 0.000 0.955 396 R CA -0.808 55.331 56.100 0.064 0.000 0.851 396 R CB 1.363 31.675 30.300 0.020 0.000 1.161 396 R HN 0.789 nan 8.270 nan 0.000 0.446 397 D N 2.417 122.841 120.400 0.039 0.000 2.705 397 D HA -0.135 4.506 4.640 0.002 0.000 0.240 397 D C -0.917 175.397 176.300 0.024 0.000 1.137 397 D CA 0.678 54.691 54.000 0.023 0.000 0.677 397 D CB -0.220 40.591 40.800 0.018 0.000 1.049 397 D HN 0.566 nan 8.370 nan 0.000 0.427 398 T N 1.527 116.090 114.554 0.015 0.000 2.928 398 T HA 0.215 4.566 4.350 0.002 0.000 0.305 398 T C 0.386 175.062 174.700 -0.039 0.000 1.035 398 T CA 0.092 62.178 62.100 -0.023 0.000 1.145 398 T CB 1.816 70.615 68.868 -0.115 0.000 0.963 398 T HN 0.306 nan 8.240 nan 0.000 0.545 399 Q N 0.803 120.583 119.800 -0.034 0.000 2.633 399 Q HA 0.552 4.893 4.340 0.002 0.000 0.292 399 Q C -0.596 175.380 176.000 -0.040 0.000 1.089 399 Q CA -0.905 54.880 55.803 -0.030 0.000 0.811 399 Q CB 0.937 29.671 28.738 -0.006 0.000 1.472 399 Q HN 0.558 nan 8.270 nan 0.000 0.464 400 I N 1.780 122.333 120.570 -0.029 0.000 2.553 400 I HA 0.092 4.263 4.170 0.002 0.000 0.295 400 I C 0.333 176.456 176.117 0.010 0.000 1.128 400 I CA 0.756 62.043 61.300 -0.021 0.000 2.128 400 I CB -0.895 37.098 38.000 -0.012 0.000 1.543 400 I HN 0.643 nan 8.210 nan 0.000 0.970 401 S N -1.177 114.529 115.700 0.011 0.000 2.184 401 S HA 0.004 4.476 4.470 0.002 0.000 0.253 401 S C 1.037 175.665 174.600 0.047 0.000 0.950 401 S CA 0.083 58.304 58.200 0.035 0.000 1.541 401 S CB -0.220 63.000 63.200 0.032 0.000 1.172 401 S HN 0.273 nan 8.310 nan 0.000 0.577 402 S N 1.962 117.675 115.700 0.022 0.000 2.577 402 S HA 0.324 4.795 4.470 0.002 0.000 0.219 402 S C 0.420 175.024 174.600 0.007 0.000 0.962 402 S CA -0.642 57.584 58.200 0.044 0.000 0.921 402 S CB -0.191 62.993 63.200 -0.027 0.000 0.789 402 S HN 0.496 nan 8.310 nan 0.000 0.497 403 R N 2.203 122.701 120.500 -0.004 0.000 2.401 403 R HA 0.650 4.991 4.340 0.002 0.000 0.299 403 R C -0.035 176.309 176.300 0.075 0.000 1.064 403 R CA 0.141 56.233 56.100 -0.014 0.000 1.000 403 R CB 0.296 30.562 30.300 -0.057 0.000 0.973 403 R HN 0.302 nan 8.270 nan 0.000 0.438 404 A N 1.848 124.719 122.820 0.084 0.000 2.452 404 A HA 0.388 4.709 4.320 0.002 0.000 0.294 404 A C -1.376 176.286 177.584 0.129 0.000 1.010 404 A CA -0.948 51.123 52.037 0.057 0.000 0.613 404 A CB 0.766 19.701 19.000 -0.107 0.000 1.363 404 A HN 0.391 nan 8.150 nan 0.000 0.463 405 V N -0.971 118.983 119.914 0.067 0.000 2.459 405 V HA 0.767 4.888 4.120 0.002 0.000 0.295 405 V C -0.957 175.181 176.094 0.073 0.000 1.029 405 V CA -0.735 61.677 62.300 0.187 0.000 0.874 405 V CB 0.735 32.660 31.823 0.170 0.000 0.985 405 V HN 0.744 nan 8.190 nan 0.000 0.438 406 Y N 1.982 122.397 120.300 0.192 0.000 2.387 406 Y HA 0.724 5.275 4.550 0.002 0.000 0.336 406 Y C 0.226 176.281 175.900 0.260 0.000 1.067 406 Y CA -0.664 57.584 58.100 0.247 0.000 1.114 406 Y CB 1.955 40.587 38.460 0.286 0.000 1.208 406 Y HN 0.592 nan 8.280 nan 0.000 0.458 407 Q N 1.229 121.265 119.800 0.394 0.000 2.312 407 Q HA 0.517 4.858 4.340 0.002 0.000 0.263 407 Q C -1.288 174.808 176.000 0.161 0.000 0.995 407 Q CA -0.428 55.503 55.803 0.214 0.000 0.853 407 Q CB 2.120 30.906 28.738 0.080 0.000 1.300 407 Q HN 0.729 nan 8.270 nan 0.000 0.448 408 c N 3.195 121.756 118.600 -0.065 0.000 2.316 408 c HA 0.582 5.153 4.570 0.002 0.000 0.324 408 c C -0.875 173.107 174.090 -0.180 0.000 1.226 408 c CA -0.640 55.428 56.329 -0.436 0.000 1.450 408 c CB -0.373 41.763 42.510 -0.624 0.000 2.123 408 c HN 0.843 nan 8.230 nan 0.000 0.454 409 N N 2.831 121.406 118.700 -0.208 0.000 2.558 409 N HA 0.298 5.039 4.740 0.002 0.000 0.242 409 N C 0.042 175.482 175.510 -0.117 0.000 0.979 409 N CA -0.102 52.873 53.050 -0.126 0.000 0.931 409 N CB 1.112 39.506 38.487 -0.155 0.000 1.122 409 N HN 0.725 nan 8.380 nan 0.000 0.508 410 T N 0.493 115.002 114.554 -0.075 0.000 3.185 410 T HA 0.144 4.495 4.350 0.002 0.000 0.287 410 T C 0.417 175.098 174.700 -0.031 0.000 1.051 410 T CA -0.664 61.382 62.100 -0.090 0.000 1.051 410 T CB -0.173 68.589 68.868 -0.177 0.000 1.034 410 T HN 0.273 nan 8.240 nan 0.000 0.685 411 S N 3.184 118.870 115.700 -0.024 0.000 2.488 411 S HA 0.321 4.793 4.470 0.002 0.000 0.278 411 S C -0.074 174.528 174.600 0.004 0.000 1.259 411 S CA -0.669 57.537 58.200 0.010 0.000 1.061 411 S CB -0.233 62.959 63.200 -0.013 0.000 0.910 411 S HN 0.859 nan 8.310 nan 0.000 0.491 412 N N 2.163 120.874 118.700 0.018 0.000 2.321 412 N HA 0.238 4.979 4.740 0.002 0.000 0.290 412 N C 0.435 175.922 175.510 -0.038 0.000 1.212 412 N CA -0.680 52.369 53.050 -0.002 0.000 0.767 412 N CB 1.522 40.018 38.487 0.017 0.000 1.494 412 N HN 0.644 nan 8.380 nan 0.000 0.479 413 E N 0.030 120.163 120.200 -0.112 0.000 2.265 413 E HA -0.173 4.178 4.350 0.002 0.000 0.196 413 E C -0.070 176.298 176.600 -0.387 0.000 0.996 413 E CA 1.236 57.481 56.400 -0.259 0.000 0.832 413 E CB 0.047 29.526 29.700 -0.369 0.000 0.756 413 E HN 0.655 nan 8.360 nan 0.000 0.491 414 H N -1.567 117.486 119.070 -0.029 0.000 2.652 414 H HA 0.376 4.933 4.556 0.002 0.000 0.274 414 H C 0.371 175.655 175.328 -0.072 0.000 1.021 414 H CA 0.109 56.127 56.048 -0.049 0.000 1.187 414 H CB 1.483 31.207 29.762 -0.063 0.000 1.505 414 H HN 0.216 nan 8.280 nan 0.000 0.530 415 G N -0.365 108.441 108.800 0.011 0.000 2.356 415 G HA2 0.232 4.194 3.960 0.002 0.000 0.288 415 G HA3 0.232 4.194 3.960 0.002 0.000 0.288 415 G C -2.061 172.818 174.900 -0.035 0.000 1.302 415 G CA -0.561 44.495 45.100 -0.075 0.000 0.887 415 G HN 0.183 nan 8.290 nan 0.000 0.521 416 Y N -1.934 118.328 120.300 -0.064 0.000 2.705 416 Y HA 0.864 5.415 4.550 0.002 0.000 0.332 416 Y C -1.508 174.315 175.900 -0.127 0.000 1.221 416 Y CA -2.007 56.036 58.100 -0.096 0.000 1.059 416 Y CB 1.331 39.751 38.460 -0.067 0.000 1.298 416 Y HN 0.636 nan 8.280 nan 0.000 0.459 417 L N 3.461 124.805 121.223 0.201 0.000 2.457 417 L HA 0.328 4.669 4.340 0.002 0.000 0.266 417 L C -1.306 175.739 176.870 0.292 0.000 0.979 417 L CA -0.745 54.154 54.840 0.098 0.000 0.857 417 L CB 1.808 43.610 42.059 -0.429 0.000 1.213 417 L HN 0.648 nan 8.230 nan 0.000 0.418 418 L N 3.417 124.865 121.223 0.375 0.000 2.290 418 L HA 0.718 5.059 4.340 0.002 0.000 0.284 418 L C -0.038 176.969 176.870 0.228 0.000 1.078 418 L CA 0.282 55.235 54.840 0.187 0.000 0.815 418 L CB 1.391 43.497 42.059 0.077 0.000 1.162 418 L HN 0.714 nan 8.230 nan 0.000 0.435 419 A N 5.525 128.456 122.820 0.184 0.000 2.356 419 A HA 0.713 5.034 4.320 0.002 0.000 0.323 419 A C -0.690 176.931 177.584 0.062 0.000 1.119 419 A CA -0.767 51.351 52.037 0.135 0.000 0.790 419 A CB 1.050 20.105 19.000 0.093 0.000 1.273 419 A HN 0.791 nan 8.150 nan 0.000 0.452 420 N N 0.185 118.897 118.700 0.020 0.000 2.346 420 N HA 0.673 5.414 4.740 0.002 0.000 0.289 420 N C -1.194 174.298 175.510 -0.030 0.000 1.027 420 N CA -0.019 53.043 53.050 0.020 0.000 0.864 420 N CB 2.021 40.507 38.487 -0.002 0.000 1.370 420 N HN 0.913 nan 8.380 nan 0.000 0.481 421 A N 1.994 124.845 122.820 0.053 0.000 2.427 421 A HA 0.646 4.967 4.320 0.002 0.000 0.298 421 A C -1.074 176.607 177.584 0.163 0.000 1.036 421 A CA -0.696 51.334 52.037 -0.011 0.000 0.701 421 A CB 0.725 19.765 19.000 0.066 0.000 1.250 421 A HN 0.469 nan 8.150 nan 0.000 0.412 422 F N 0.940 120.954 119.950 0.107 0.000 2.483 422 F HA 0.854 5.382 4.527 0.002 0.000 0.329 422 F C -0.648 175.182 175.800 0.049 0.000 1.064 422 F CA -2.369 55.694 58.000 0.106 0.000 0.986 422 F CB 0.766 39.792 39.000 0.044 0.000 1.218 422 F HN 0.226 nan 8.300 nan 0.000 0.484 423 V N 2.052 122.157 119.914 0.318 0.000 2.407 423 V HA 0.618 4.740 4.120 0.002 0.000 0.291 423 V C -0.466 175.529 176.094 -0.165 0.000 1.018 423 V CA -0.443 61.864 62.300 0.010 0.000 0.842 423 V CB 0.641 32.335 31.823 -0.215 0.000 0.996 423 V HN 1.072 nan 8.190 nan 0.000 0.426 424 S N 4.665 120.214 115.700 -0.252 0.000 2.557 424 S HA 0.877 5.348 4.470 0.002 0.000 0.291 424 S C -0.744 173.697 174.600 -0.264 0.000 1.116 424 S CA -0.614 57.369 58.200 -0.361 0.000 0.992 424 S CB 1.926 64.787 63.200 -0.565 0.000 1.028 424 S HN 1.054 nan 8.310 nan 0.000 0.484 425 V N 2.173 121.938 119.914 -0.247 0.000 2.815 425 V HA 0.705 4.826 4.120 0.002 0.000 0.314 425 V C 0.029 176.022 176.094 -0.168 0.000 1.064 425 V CA -1.228 60.964 62.300 -0.179 0.000 0.952 425 V CB 0.794 32.528 31.823 -0.148 0.000 1.020 425 V HN 0.954 nan 8.190 nan 0.000 0.439 426 L N 0.000 121.149 121.223 -0.124 0.000 2.949 426 L HA 0.000 4.341 4.340 0.002 0.000 0.249 426 L CA 0.000 54.778 54.840 -0.104 0.000 0.813 426 L CB 0.000 42.011 42.059 -0.080 0.000 0.961 426 L HN 0.000 nan 8.230 nan 0.000 0.502