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 3ljs_1_B DATA FIRST_RESID -1 DATA SEQUENCE LXXXXXXXXX XXXKKTILCF GEALIDXLAQ PLVKKGXPRA FLQCAGGAPA DATA SEQUENCE NVAVAVARLG GAVQFVGXLG SDXFGDFLFD SFAEAGVVTD GIVRTSTAKT DATA SEQUENCE ALAFVALDAH GERSFSFYRP PAADLLFRVE HFQDASFSDA LIFHACSNSX DATA SEQUENCE TDADIAEVTF EGXRRAQAAG AIVSFDLNFR PXLWPNGENP ASRLWKGLSL DATA SEQUENCE ADVVKLSSEE LDYLANTLAA DANAVIQQLW QGRAQLLLVT DAAGPVHWYT DATA SEQUENCE RTAGGEVPTF RVQVXXXNAA GDAFVGGXLY TFAQQFDDAA ALIDFCHDPE DATA SEQUENCE SIVSTLRFAA AVGALAVTRQ GAFTAXPXLS EVLSLIQEQS 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 -1 L HA 0.000 nan 4.340 nan 0.000 0.249 -1 L C 0.000 176.872 176.870 0.003 0.000 1.165 -1 L CA 0.000 54.840 54.840 0.001 0.000 0.813 -1 L CB 0.000 42.057 42.059 -0.004 0.000 0.961 13 K N 0.224 120.622 120.400 -0.004 0.000 2.520 13 K HA 0.134 4.454 4.320 -0.000 0.000 0.206 13 K C -0.304 176.283 176.600 -0.021 0.000 1.122 13 K CA -0.171 56.105 56.287 -0.019 0.000 1.045 13 K CB 1.551 34.027 32.500 -0.039 0.000 0.932 13 K HN 0.260 nan 8.250 nan 0.000 0.571 14 T N 2.419 116.968 114.554 -0.009 0.000 2.884 14 T HA 0.340 4.690 4.350 -0.000 0.000 0.298 14 T C 0.626 175.322 174.700 -0.006 0.000 0.998 14 T CA 0.007 62.099 62.100 -0.013 0.000 1.124 14 T CB 1.020 69.877 68.868 -0.019 0.000 0.931 14 T HN 0.001 nan 8.240 nan 0.000 0.531 15 I N 4.003 124.566 120.570 -0.012 0.000 2.315 15 I HA 0.243 4.413 4.170 -0.000 0.000 0.291 15 I C -0.407 175.692 176.117 -0.031 0.000 1.006 15 I CA -0.833 60.465 61.300 -0.003 0.000 1.265 15 I CB 1.150 39.146 38.000 -0.007 0.000 1.387 15 I HN 0.284 nan 8.210 nan 0.000 0.475 16 L N 8.569 129.768 121.223 -0.040 0.000 2.262 16 L HA 0.432 4.772 4.340 -0.000 0.000 0.288 16 L C -0.731 176.015 176.870 -0.208 0.000 1.035 16 L CA -0.362 54.403 54.840 -0.125 0.000 0.820 16 L CB 0.610 42.593 42.059 -0.127 0.000 1.204 16 L HN 0.584 nan 8.230 nan 0.000 0.424 17 C N 5.959 125.148 119.300 -0.185 0.000 2.255 17 C HA 0.499 4.958 4.460 -0.000 0.000 0.326 17 C C -0.119 174.646 174.990 -0.375 0.000 1.258 17 C CA -0.714 58.213 59.018 -0.151 0.000 1.676 17 C CB -0.438 27.337 27.740 0.058 0.000 2.314 17 C HN 0.741 nan 8.230 nan 0.000 0.509 18 F N 3.016 122.607 119.950 -0.598 0.000 2.508 18 F HA 0.869 5.396 4.527 -0.001 0.000 0.325 18 F C 0.508 176.057 175.800 -0.419 0.000 1.090 18 F CA 1.108 58.714 58.000 -0.656 0.000 0.945 18 F CB 1.330 39.954 39.000 -0.627 0.000 1.156 18 F HN 0.815 nan 8.300 nan 0.000 0.463 19 G N 4.392 112.190 108.800 -1.670 0.000 2.217 19 G HA2 0.129 4.089 3.960 -0.000 0.000 0.126 19 G HA3 0.129 4.089 3.960 -0.000 0.000 0.126 19 G C -1.426 173.207 174.900 -0.446 0.000 1.293 19 G CA -0.283 44.196 45.100 -1.036 0.000 1.219 19 G HN 0.838 nan 8.290 nan 0.000 0.477 20 E N 1.063 121.207 120.200 -0.094 0.000 2.204 20 E HA 0.702 5.052 4.350 -0.000 0.000 0.276 20 E C -0.434 176.286 176.600 0.199 0.000 0.974 20 E CA -0.268 56.172 56.400 0.067 0.000 0.815 20 E CB 1.748 31.439 29.700 -0.016 0.000 1.119 20 E HN 1.696 nan 8.360 nan 0.000 0.393 21 A N 3.648 126.568 122.820 0.165 0.000 2.343 21 A HA 0.621 4.941 4.320 -0.000 0.000 0.308 21 A C -0.953 176.639 177.584 0.012 0.000 1.092 21 A CA -0.715 51.317 52.037 -0.010 0.000 0.751 21 A CB 0.477 19.382 19.000 -0.157 0.000 1.203 21 A HN 0.597 nan 8.150 nan 0.000 0.452 22 L N 0.498 121.709 121.223 -0.019 0.000 2.510 22 L HA 0.752 5.092 4.340 -0.000 0.000 0.252 22 L C -1.006 175.837 176.870 -0.045 0.000 1.091 22 L CA -0.922 53.911 54.840 -0.012 0.000 0.888 22 L CB 0.576 42.641 42.059 0.011 0.000 1.507 22 L HN 0.383 nan 8.230 nan 0.000 0.407 23 I N 1.620 122.120 120.570 -0.117 0.000 2.336 23 I HA 0.418 4.588 4.170 -0.000 0.000 0.292 23 I C -0.389 175.591 176.117 -0.228 0.000 0.991 23 I CA 0.051 61.234 61.300 -0.195 0.000 1.227 23 I CB 0.866 38.577 38.000 -0.481 0.000 1.366 23 I HN 0.648 nan 8.210 nan 0.000 0.466 27 A N 2.958 125.769 122.820 -0.015 0.000 2.492 27 A HA 0.603 4.923 4.320 -0.000 0.000 0.254 27 A C 0.149 177.519 177.584 -0.356 0.000 1.091 27 A CA -0.099 51.663 52.037 -0.457 0.000 0.768 27 A CB 0.157 18.985 19.000 -0.287 0.000 1.028 27 A HN 0.547 nan 8.150 nan 0.000 0.498 28 Q N 1.765 121.308 119.800 -0.428 0.000 2.227 28 Q HA 0.434 4.774 4.340 -0.000 0.000 0.245 28 Q C -2.368 173.491 176.000 -0.236 0.000 0.926 28 Q CA -2.068 53.581 55.803 -0.257 0.000 0.895 28 Q CB 0.289 28.905 28.738 -0.204 0.000 1.230 28 Q HN 0.487 nan 8.270 nan 0.000 0.450 29 P HA 0.003 nan 4.420 nan 0.000 0.269 29 P C -0.459 176.769 177.300 -0.121 0.000 1.215 29 P CA -0.539 62.482 63.100 -0.132 0.000 0.780 29 P CB 0.423 32.063 31.700 -0.100 0.000 0.898 30 L N 2.910 124.072 121.223 -0.102 0.000 2.499 30 L HA -0.053 4.287 4.340 -0.000 0.000 0.273 30 L C 1.036 177.866 176.870 -0.067 0.000 1.195 30 L CA 0.625 55.415 54.840 -0.082 0.000 0.882 30 L CB 0.379 42.399 42.059 -0.065 0.000 1.133 30 L HN 0.229 nan 8.230 nan 0.000 0.483 31 V N 3.102 122.979 119.914 -0.060 0.000 2.391 31 V HA 0.122 4.242 4.120 -0.000 0.000 0.237 31 V C 0.429 176.500 176.094 -0.038 0.000 1.046 31 V CA 0.748 63.019 62.300 -0.049 0.000 1.053 31 V CB -0.366 31.429 31.823 -0.047 0.000 0.704 31 V HN 0.737 nan 8.190 nan 0.000 0.475 32 K N -0.547 119.834 120.400 -0.033 0.000 2.535 32 K HA 0.496 4.816 4.320 -0.000 0.000 0.250 32 K C -0.332 176.254 176.600 -0.023 0.000 0.948 32 K CA -0.716 55.555 56.287 -0.026 0.000 0.796 32 K CB 2.697 35.183 32.500 -0.023 0.000 1.216 32 K HN 0.057 nan 8.250 nan 0.000 0.432 33 K N 0.446 120.833 120.400 -0.021 0.000 1.730 33 K HA -0.291 4.029 4.320 -0.000 0.000 0.119 33 K C 0.711 177.301 176.600 -0.017 0.000 1.058 33 K CA 2.288 58.565 56.287 -0.017 0.000 0.351 33 K CB -1.135 31.357 32.500 -0.014 0.000 0.634 33 K HN 0.905 nan 8.250 nan 0.000 0.895 37 R N 1.666 122.162 120.500 -0.007 0.000 2.623 37 R HA 0.580 4.920 4.340 -0.000 0.000 0.271 37 R C -0.190 176.066 176.300 -0.074 0.000 1.043 37 R CA 0.216 56.266 56.100 -0.082 0.000 1.083 37 R CB 0.376 30.603 30.300 -0.122 0.000 0.974 37 R HN 0.616 nan 8.270 nan 0.000 0.436 38 A N 4.180 126.891 122.820 -0.181 0.000 2.325 38 A HA 0.627 4.947 4.320 -0.000 0.000 0.333 38 A C -1.312 176.088 177.584 -0.306 0.000 1.155 38 A CA -0.635 51.340 52.037 -0.103 0.000 0.814 38 A CB 0.741 19.703 19.000 -0.064 0.000 1.206 38 A HN 0.649 nan 8.150 nan 0.000 0.482 39 F N 1.115 121.071 119.950 0.011 0.000 2.529 39 F HA 0.502 5.029 4.527 -0.000 0.000 0.320 39 F C -0.481 175.305 175.800 -0.024 0.000 1.118 39 F CA -0.674 57.335 58.000 0.016 0.000 0.915 39 F CB 1.984 41.038 39.000 0.090 0.000 1.161 39 F HN 0.239 nan 8.300 nan 0.000 0.445 40 L N 2.966 124.240 121.223 0.085 0.000 2.289 40 L HA 0.344 4.684 4.340 -0.000 0.000 0.285 40 L C 0.008 176.865 176.870 -0.021 0.000 1.049 40 L CA -0.592 54.257 54.840 0.014 0.000 0.804 40 L CB 1.368 43.416 42.059 -0.017 0.000 1.195 40 L HN 0.588 nan 8.230 nan 0.000 0.428 41 Q N 2.723 122.480 119.800 -0.072 0.000 2.295 41 Q HA 0.352 4.692 4.340 -0.000 0.000 0.259 41 Q C -1.458 174.485 176.000 -0.095 0.000 0.976 41 Q CA -0.172 55.537 55.803 -0.156 0.000 0.923 41 Q CB 0.762 29.331 28.738 -0.281 0.000 1.185 41 Q HN 0.713 nan 8.270 nan 0.000 0.410 42 C N 3.274 122.557 119.300 -0.027 0.000 2.547 42 C HA 0.695 5.155 4.460 -0.000 0.000 0.313 42 C C 0.009 175.087 174.990 0.146 0.000 1.191 42 C CA -0.918 58.155 59.018 0.092 0.000 1.474 42 C CB 1.188 28.951 27.740 0.038 0.000 2.081 42 C HN 0.962 nan 8.230 nan 0.000 0.476 43 A N 2.361 125.305 122.820 0.206 0.000 2.477 43 A HA 0.682 5.002 4.320 -0.000 0.000 0.246 43 A C 0.570 178.141 177.584 -0.021 0.000 1.078 43 A CA 0.686 52.740 52.037 0.029 0.000 0.770 43 A CB -0.021 18.830 19.000 -0.249 0.000 1.011 43 A HN 1.357 nan 8.150 nan 0.000 0.494 44 G N -0.465 108.307 108.800 -0.047 0.000 2.870 44 G HA2 0.821 4.781 3.960 -0.000 0.000 0.299 44 G HA3 0.821 4.781 3.960 -0.000 0.000 0.299 44 G C -0.150 174.744 174.900 -0.010 0.000 1.324 44 G CA -0.093 45.011 45.100 0.006 0.000 0.808 44 G HN 2.329 nan 8.290 nan 0.000 0.535 45 G N -2.027 106.802 108.800 0.049 0.000 3.226 45 G HA2 0.449 4.409 3.960 -0.000 0.000 0.685 45 G HA3 0.449 4.409 3.960 -0.000 0.000 0.685 45 G C 0.711 175.666 174.900 0.092 0.000 1.207 45 G CA 0.607 45.741 45.100 0.057 0.000 0.877 45 G HN 1.896 nan 8.290 nan 0.000 0.585 46 A N 4.004 126.888 122.820 0.108 0.000 1.849 46 A HA 0.076 4.396 4.320 -0.000 0.000 0.217 46 A C 0.952 178.637 177.584 0.167 0.000 1.202 46 A CA 2.738 54.858 52.037 0.138 0.000 0.629 46 A CB -1.030 18.051 19.000 0.136 0.000 0.834 46 A HN 0.709 nan 8.150 nan 0.000 0.447 47 P HA -0.092 nan 4.420 nan 0.000 0.220 47 P C 1.473 178.952 177.300 0.299 0.000 1.148 47 P CA 1.790 65.060 63.100 0.283 0.000 0.803 47 P CB -0.143 31.692 31.700 0.225 0.000 0.782 48 A N 0.656 123.622 122.820 0.244 0.000 1.898 48 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 48 A C 2.205 179.833 177.584 0.073 0.000 1.181 48 A CA 1.563 53.659 52.037 0.098 0.000 0.620 48 A CB -1.291 17.655 19.000 -0.090 0.000 0.819 48 A HN 0.114 nan 8.150 nan 0.000 0.442 49 N N 0.312 119.019 118.700 0.011 0.000 2.120 49 N HA -0.120 4.620 4.740 -0.000 0.000 0.188 49 N C 1.720 177.127 175.510 -0.172 0.000 1.024 49 N CA 1.598 54.576 53.050 -0.119 0.000 0.852 49 N CB -0.618 37.774 38.487 -0.159 0.000 1.003 49 N HN 0.261 nan 8.380 nan 0.000 0.424 50 V N 1.729 121.590 119.914 -0.090 0.000 2.343 50 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 50 V C 2.466 178.509 176.094 -0.084 0.000 1.051 50 V CA 1.785 64.008 62.300 -0.128 0.000 1.036 50 V CB -0.996 30.736 31.823 -0.151 0.000 0.654 50 V HN 0.293 nan 8.190 nan 0.000 0.451 51 A N -0.172 122.653 122.820 0.007 0.000 1.883 51 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 51 A C 2.376 179.962 177.584 0.002 0.000 1.186 51 A CA 2.184 54.237 52.037 0.026 0.000 0.624 51 A CB -0.715 18.341 19.000 0.094 0.000 0.822 51 A HN 0.349 nan 8.150 nan 0.000 0.444 52 V N -0.241 119.675 119.914 0.004 0.000 2.427 52 V HA -0.201 3.919 4.120 -0.000 0.000 0.248 52 V C 2.999 179.034 176.094 -0.098 0.000 1.051 52 V CA 1.757 64.036 62.300 -0.035 0.000 1.048 52 V CB -1.162 30.621 31.823 -0.066 0.000 0.666 52 V HN 0.619 nan 8.190 nan 0.000 0.456 53 A N -0.133 122.596 122.820 -0.151 0.000 1.898 53 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 53 A C 2.384 179.879 177.584 -0.149 0.000 1.181 53 A CA 1.953 53.880 52.037 -0.184 0.000 0.620 53 A CB -0.594 18.259 19.000 -0.244 0.000 0.819 53 A HN 0.335 nan 8.150 nan 0.000 0.442 54 V N -0.161 119.692 119.914 -0.103 0.000 2.358 54 V HA -0.223 3.896 4.120 -0.000 0.000 0.246 54 V C 3.039 179.104 176.094 -0.049 0.000 1.047 54 V CA 1.874 64.144 62.300 -0.049 0.000 1.035 54 V CB -1.181 30.642 31.823 -0.000 0.000 0.658 54 V HN 0.603 nan 8.190 nan 0.000 0.452 55 A N 0.212 123.004 122.820 -0.046 0.000 1.933 55 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 55 A C 2.293 179.836 177.584 -0.068 0.000 1.175 55 A CA 1.996 54.010 52.037 -0.038 0.000 0.628 55 A CB -0.512 18.472 19.000 -0.026 0.000 0.814 55 A HN 0.442 nan 8.150 nan 0.000 0.444 56 R N 0.021 120.462 120.500 -0.099 0.000 2.120 56 R HA 0.039 4.379 4.340 -0.000 0.000 0.234 56 R C 1.589 177.795 176.300 -0.156 0.000 1.123 56 R CA 1.308 57.340 56.100 -0.113 0.000 0.975 56 R CB -0.704 29.524 30.300 -0.120 0.000 0.866 56 R HN 0.523 nan 8.270 nan 0.000 0.446 57 L N -1.372 119.705 121.223 -0.244 0.000 2.492 57 L HA 0.225 4.565 4.340 -0.000 0.000 0.223 57 L C 1.204 177.901 176.870 -0.288 0.000 1.132 57 L CA 0.659 55.244 54.840 -0.424 0.000 0.850 57 L CB 0.008 41.502 42.059 -0.941 0.000 0.966 57 L HN 0.565 nan 8.230 nan 0.000 0.454 58 G N -0.428 108.312 108.800 -0.101 0.000 2.163 58 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.213 58 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.213 58 G C 0.496 175.481 174.900 0.141 0.000 0.991 58 G CA -0.310 44.807 45.100 0.027 0.000 0.653 58 G HN 0.491 nan 8.290 nan 0.000 0.518 59 G N -0.023 108.910 108.800 0.221 0.000 2.507 59 G HA2 0.695 4.655 3.960 -0.000 0.000 0.271 59 G HA3 0.695 4.655 3.960 -0.000 0.000 0.271 59 G C 0.468 175.415 174.900 0.078 0.000 1.189 59 G CA 0.529 45.765 45.100 0.226 0.000 0.859 59 G HN 1.546 nan 8.290 nan 0.000 0.542 60 A N 0.270 123.108 122.820 0.031 0.000 2.396 60 A HA 0.538 4.858 4.320 -0.000 0.000 0.279 60 A C -0.169 177.413 177.584 -0.003 0.000 1.165 60 A CA -0.305 51.734 52.037 0.005 0.000 0.824 60 A CB 0.591 19.586 19.000 -0.008 0.000 1.100 60 A HN 1.501 nan 8.150 nan 0.000 0.516 61 V N 3.070 122.976 119.914 -0.013 0.000 2.932 61 V HA 0.653 4.773 4.120 -0.000 0.000 0.307 61 V C -0.906 175.158 176.094 -0.050 0.000 1.147 61 V CA -0.503 61.781 62.300 -0.026 0.000 0.951 61 V CB 2.031 33.844 31.823 -0.017 0.000 1.031 61 V HN 1.069 nan 8.190 nan 0.000 0.426 62 Q N 4.034 123.793 119.800 -0.068 0.000 2.375 62 Q HA 0.534 4.874 4.340 -0.000 0.000 0.271 62 Q C -2.179 173.747 176.000 -0.123 0.000 1.074 62 Q CA -0.693 55.052 55.803 -0.097 0.000 0.808 62 Q CB 2.349 31.035 28.738 -0.086 0.000 1.327 62 Q HN 0.761 nan 8.270 nan 0.000 0.441 63 F N 3.929 123.665 119.950 -0.357 0.000 2.427 63 F HA 0.546 5.073 4.527 -0.000 0.000 0.346 63 F C -1.479 174.149 175.800 -0.286 0.000 1.120 63 F CA -0.552 57.185 58.000 -0.438 0.000 1.033 63 F CB 1.241 39.669 39.000 -0.953 0.000 1.126 63 F HN 0.292 nan 8.300 nan 0.000 0.462 64 V N 6.222 125.584 119.914 -0.921 0.000 2.384 64 V HA 0.912 5.032 4.120 -0.000 0.000 0.287 64 V C 0.116 175.639 176.094 -0.953 0.000 1.020 64 V CA 0.010 61.989 62.300 -0.534 0.000 0.850 64 V CB 0.703 32.477 31.823 -0.081 0.000 0.987 64 V HN 1.110 nan 8.190 nan 0.000 0.436 68 G N 0.087 108.959 108.800 0.119 0.000 2.606 68 G HA2 0.358 4.318 3.960 -0.000 0.000 0.252 68 G HA3 0.358 4.318 3.960 -0.000 0.000 0.252 68 G C 0.077 175.020 174.900 0.071 0.000 1.206 68 G CA -0.222 44.932 45.100 0.090 0.000 0.861 68 G HN 0.510 nan 8.290 nan 0.000 0.561 69 S N 1.005 116.729 115.700 0.041 0.000 3.548 69 S HA 0.277 4.747 4.470 -0.000 0.000 0.195 69 S C -0.482 174.123 174.600 0.010 0.000 1.432 69 S CA -0.460 57.748 58.200 0.013 0.000 1.087 69 S CB -0.309 62.889 63.200 -0.002 0.000 1.337 69 S HN 0.765 nan 8.310 nan 0.000 0.505 73 G N 0.636 109.593 108.800 0.262 0.000 2.402 73 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.216 73 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.216 73 G C 1.217 176.239 174.900 0.202 0.000 1.162 73 G CA 1.495 46.719 45.100 0.206 0.000 0.777 73 G HN 0.264 nan 8.290 nan 0.000 0.539 74 D N 0.103 120.595 120.400 0.153 0.000 2.144 74 D HA -0.107 4.533 4.640 -0.000 0.000 0.199 74 D C 1.950 178.377 176.300 0.212 0.000 0.984 74 D CA 0.512 54.597 54.000 0.142 0.000 0.834 74 D CB -0.352 40.488 40.800 0.067 0.000 0.955 74 D HN 0.307 nan 8.370 nan 0.000 0.465 75 F N 1.454 121.444 119.950 0.067 0.000 2.134 75 F HA -0.110 4.417 4.527 -0.000 0.000 0.299 75 F C 2.083 177.880 175.800 -0.005 0.000 1.097 75 F CA 1.078 59.103 58.000 0.042 0.000 1.264 75 F CB -0.362 38.677 39.000 0.066 0.000 1.001 75 F HN -0.127 nan 8.300 nan 0.000 0.479 76 L N -1.212 119.957 121.223 -0.089 0.000 2.056 76 L HA -0.187 4.153 4.340 -0.000 0.000 0.207 76 L C 2.446 179.145 176.870 -0.286 0.000 1.078 76 L CA 1.433 56.047 54.840 -0.378 0.000 0.749 76 L CB -0.925 41.038 42.059 -0.160 0.000 0.901 76 L HN 0.199 nan 8.230 nan 0.000 0.433 77 F N 1.315 121.231 119.950 -0.058 0.000 2.095 77 F HA -0.280 4.247 4.527 -0.000 0.000 0.298 77 F C 2.284 178.093 175.800 0.014 0.000 1.104 77 F CA 1.869 59.923 58.000 0.090 0.000 1.232 77 F CB -0.137 38.918 39.000 0.092 0.000 0.987 77 F HN 0.132 nan 8.300 nan 0.000 0.475 78 D N -0.455 120.036 120.400 0.152 0.000 2.144 78 D HA -0.135 4.505 4.640 -0.000 0.000 0.200 78 D C 2.457 178.655 176.300 -0.170 0.000 0.978 78 D CA 1.453 55.474 54.000 0.036 0.000 0.833 78 D CB -0.422 40.417 40.800 0.065 0.000 0.961 78 D HN 0.258 nan 8.370 nan 0.000 0.470 79 S N 0.394 115.858 115.700 -0.393 0.000 2.368 79 S HA -0.124 4.346 4.470 -0.000 0.000 0.225 79 S C 1.758 176.142 174.600 -0.360 0.000 1.030 79 S CA 0.646 58.543 58.200 -0.505 0.000 0.999 79 S CB -0.287 62.392 63.200 -0.868 0.000 0.844 79 S HN 0.155 nan 8.310 nan 0.000 0.459 80 F N 1.927 121.683 119.950 -0.324 0.000 2.102 80 F HA -0.016 4.511 4.527 -0.000 0.000 0.298 80 F C 2.594 178.232 175.800 -0.269 0.000 1.105 80 F CA 0.430 58.246 58.000 -0.306 0.000 1.239 80 F CB -1.241 37.541 39.000 -0.364 0.000 0.991 80 F HN 0.169 nan 8.300 nan 0.000 0.474 81 A N 0.079 122.830 122.820 -0.114 0.000 1.883 81 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 81 A C 2.106 179.652 177.584 -0.062 0.000 1.186 81 A CA 1.906 53.873 52.037 -0.118 0.000 0.624 81 A CB -0.882 18.047 19.000 -0.118 0.000 0.822 81 A HN 0.477 nan 8.150 nan 0.000 0.444 82 E N -0.250 119.909 120.200 -0.069 0.000 2.204 82 E HA -0.068 4.282 4.350 -0.000 0.000 0.195 82 E C 1.975 178.544 176.600 -0.053 0.000 0.990 82 E CA 0.854 57.221 56.400 -0.056 0.000 0.821 82 E CB -0.251 29.407 29.700 -0.069 0.000 0.750 82 E HN 0.627 nan 8.360 nan 0.000 0.477 83 A N 0.336 123.121 122.820 -0.058 0.000 2.169 83 A HA 0.259 4.579 4.320 -0.000 0.000 0.212 83 A C 1.806 179.372 177.584 -0.030 0.000 1.153 83 A CA 0.823 52.833 52.037 -0.046 0.000 0.756 83 A CB -0.107 18.867 19.000 -0.044 0.000 0.813 83 A HN 0.336 nan 8.150 nan 0.000 0.471 84 G N -1.690 107.094 108.800 -0.027 0.000 2.141 84 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.231 84 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.231 84 G C 0.096 174.981 174.900 -0.026 0.000 0.984 84 G CA 0.025 45.110 45.100 -0.025 0.000 0.660 84 G HN 0.726 nan 8.290 nan 0.000 0.525 85 V N 1.433 121.334 119.914 -0.022 0.000 2.488 85 V HA 0.404 4.524 4.120 -0.000 0.000 0.277 85 V C 1.323 177.360 176.094 -0.095 0.000 1.046 85 V CA -0.542 61.729 62.300 -0.049 0.000 0.986 85 V CB 1.655 33.458 31.823 -0.033 0.000 0.989 85 V HN 0.256 nan 8.190 nan 0.000 0.475 86 V N 5.321 125.182 119.914 -0.089 0.000 2.585 86 V HA 0.067 4.187 4.120 -0.000 0.000 0.296 86 V C 1.411 177.430 176.094 -0.125 0.000 1.035 86 V CA 0.904 63.154 62.300 -0.082 0.000 1.084 86 V CB 1.214 33.008 31.823 -0.049 0.000 0.953 86 V HN 1.121 nan 8.190 nan 0.000 0.483 87 T N -1.352 113.128 114.554 -0.123 0.000 3.054 87 T HA 0.042 4.392 4.350 -0.000 0.000 0.255 87 T C 0.934 175.660 174.700 0.043 0.000 1.035 87 T CA -0.124 61.894 62.100 -0.136 0.000 0.941 87 T CB -0.068 68.547 68.868 -0.422 0.000 1.026 87 T HN 0.613 nan 8.240 nan 0.000 0.533 88 D N 2.574 123.004 120.400 0.050 0.000 2.182 88 D HA -0.052 4.588 4.640 -0.000 0.000 0.201 88 D C 2.037 178.406 176.300 0.114 0.000 0.986 88 D CA 1.411 55.467 54.000 0.094 0.000 0.847 88 D CB -0.557 40.283 40.800 0.066 0.000 0.942 88 D HN 0.631 nan 8.370 nan 0.000 0.467 89 G N -0.129 108.726 108.800 0.091 0.000 3.088 89 G HA2 0.149 4.108 3.960 -0.000 0.000 0.212 89 G HA3 0.149 4.108 3.960 -0.000 0.000 0.212 89 G C 0.686 175.697 174.900 0.185 0.000 1.173 89 G CA -0.307 44.874 45.100 0.135 0.000 0.779 89 G HN 0.178 nan 8.290 nan 0.000 0.540 90 I N 1.635 122.318 120.570 0.188 0.000 2.428 90 I HA 0.294 4.464 4.170 -0.000 0.000 0.289 90 I C 0.291 176.545 176.117 0.228 0.000 1.019 90 I CA -0.717 60.734 61.300 0.252 0.000 1.351 90 I CB 1.689 39.894 38.000 0.343 0.000 1.412 90 I HN -0.084 nan 8.210 nan 0.000 0.513 91 V N 4.312 124.333 119.914 0.178 0.000 3.019 91 V HA 0.722 4.842 4.120 -0.000 0.000 0.317 91 V C -0.415 175.696 176.094 0.027 0.000 1.094 91 V CA -0.967 61.354 62.300 0.035 0.000 1.000 91 V CB 2.024 33.730 31.823 -0.196 0.000 1.060 91 V HN 0.615 nan 8.190 nan 0.000 0.443 92 R N 0.623 121.111 120.500 -0.020 0.000 2.854 92 R HA 0.851 5.191 4.340 -0.000 0.000 0.271 92 R C -0.641 175.638 176.300 -0.035 0.000 0.996 92 R CA -0.511 55.587 56.100 -0.005 0.000 0.961 92 R CB 1.763 32.059 30.300 -0.007 0.000 1.182 92 R HN 0.997 nan 8.270 nan 0.000 0.479 93 T N -1.277 113.273 114.554 -0.008 0.000 2.932 93 T HA 0.306 4.656 4.350 -0.000 0.000 0.318 93 T C -0.211 174.497 174.700 0.013 0.000 1.265 93 T CA -0.358 61.739 62.100 -0.006 0.000 1.036 93 T CB 1.230 70.091 68.868 -0.011 0.000 1.209 93 T HN 0.404 nan 8.240 nan 0.000 0.484 94 S N 1.707 117.414 115.700 0.012 0.000 2.539 94 S HA 0.113 4.583 4.470 -0.000 0.000 0.221 94 S C 1.776 176.390 174.600 0.023 0.000 0.987 94 S CA -0.066 58.144 58.200 0.017 0.000 0.929 94 S CB 0.266 63.471 63.200 0.009 0.000 0.832 94 S HN 0.820 nan 8.310 nan 0.000 0.492 95 T N 2.366 116.934 114.554 0.023 0.000 2.951 95 T HA 0.276 4.626 4.350 -0.000 0.000 0.268 95 T C 0.708 175.429 174.700 0.035 0.000 1.073 95 T CA 1.052 63.168 62.100 0.027 0.000 1.134 95 T CB 0.027 68.911 68.868 0.026 0.000 0.884 95 T HN 0.455 nan 8.240 nan 0.000 0.479 96 A N 0.360 123.205 122.820 0.042 0.000 2.594 96 A HA 0.664 4.984 4.320 -0.000 0.000 0.291 96 A C -0.936 176.689 177.584 0.067 0.000 1.105 96 A CA -0.987 51.083 52.037 0.054 0.000 0.694 96 A CB 1.353 20.385 19.000 0.053 0.000 1.291 96 A HN -0.057 nan 8.150 nan 0.000 0.410 97 K N 0.602 121.053 120.400 0.085 0.000 2.090 97 K HA 0.459 4.779 4.320 -0.000 0.000 0.250 97 K C -0.086 176.583 176.600 0.114 0.000 1.004 97 K CA -0.185 56.167 56.287 0.108 0.000 0.919 97 K CB 0.634 33.210 32.500 0.126 0.000 1.045 97 K HN 0.718 nan 8.250 nan 0.000 0.471 98 T N 1.557 116.197 114.554 0.143 0.000 2.888 98 T HA 0.166 4.516 4.350 -0.000 0.000 0.301 98 T C 0.332 175.076 174.700 0.074 0.000 1.001 98 T CA -0.238 61.936 62.100 0.124 0.000 1.147 98 T CB 0.541 69.518 68.868 0.182 0.000 0.931 98 T HN 0.559 nan 8.240 nan 0.000 0.541 99 A N 4.004 126.860 122.820 0.059 0.000 2.483 99 A HA 0.505 4.825 4.320 -0.000 0.000 0.238 99 A C -0.045 177.532 177.584 -0.011 0.000 1.070 99 A CA -0.194 51.882 52.037 0.064 0.000 0.770 99 A CB -0.041 19.000 19.000 0.068 0.000 1.008 99 A HN 0.827 nan 8.150 nan 0.000 0.497 100 L N 0.829 122.071 121.223 0.031 0.000 2.381 100 L HA 0.672 5.012 4.340 -0.000 0.000 0.268 100 L C 0.128 177.014 176.870 0.027 0.000 0.997 100 L CA -0.576 54.170 54.840 -0.156 0.000 0.818 100 L CB 2.218 44.066 42.059 -0.352 0.000 1.310 100 L HN 0.758 nan 8.230 nan 0.000 0.416 101 A N 2.934 125.673 122.820 -0.136 0.000 2.409 101 A HA 0.672 4.992 4.320 -0.000 0.000 0.300 101 A C -1.084 176.359 177.584 -0.236 0.000 1.273 101 A CA -0.306 51.686 52.037 -0.075 0.000 0.774 101 A CB 0.140 19.221 19.000 0.135 0.000 1.144 101 A HN 0.475 nan 8.150 nan 0.000 0.472 102 F N 1.923 121.808 119.950 -0.108 0.000 2.438 102 F HA 0.435 4.962 4.527 -0.000 0.000 0.356 102 F C 0.359 176.122 175.800 -0.063 0.000 1.099 102 F CA 0.149 58.116 58.000 -0.055 0.000 1.185 102 F CB 1.683 40.653 39.000 -0.050 0.000 1.115 102 F HN 0.270 nan 8.300 nan 0.000 0.526 103 V N 3.843 123.821 119.914 0.107 0.000 2.448 103 V HA 0.889 5.009 4.120 -0.000 0.000 0.295 103 V C -0.041 176.006 176.094 -0.078 0.000 1.025 103 V CA -0.419 61.818 62.300 -0.104 0.000 0.859 103 V CB 0.924 32.696 31.823 -0.085 0.000 0.988 103 V HN 0.985 nan 8.190 nan 0.000 0.431 104 A N 4.728 127.430 122.820 -0.197 0.000 3.742 104 A HA 1.015 5.335 4.320 -0.000 0.000 0.282 104 A C -2.110 175.350 177.584 -0.208 0.000 1.117 104 A CA -0.519 51.432 52.037 -0.143 0.000 0.624 104 A CB 1.161 20.138 19.000 -0.038 0.000 1.548 104 A HN 0.601 nan 8.150 nan 0.000 0.723 105 L N -0.396 120.731 121.223 -0.160 0.000 2.431 105 L HA 0.725 5.065 4.340 -0.000 0.000 0.266 105 L C -0.115 176.677 176.870 -0.130 0.000 0.978 105 L CA -0.031 54.706 54.840 -0.172 0.000 0.822 105 L CB 2.070 44.026 42.059 -0.172 0.000 1.310 105 L HN 0.829 nan 8.230 nan 0.000 0.409 106 D N 0.994 121.317 120.400 -0.128 0.000 1.689 106 D HA 0.081 4.721 4.640 -0.000 0.000 0.643 106 D C 0.439 176.708 176.300 -0.052 0.000 0.804 106 D CA 0.482 54.436 54.000 -0.076 0.000 1.125 106 D CB 0.392 41.162 40.800 -0.051 0.000 1.506 106 D HN 0.556 nan 8.370 nan 0.000 0.499 107 A N 3.217 126.002 122.820 -0.059 0.000 2.618 107 A HA 0.304 4.624 4.320 -0.000 0.000 0.293 107 A C 1.238 178.820 177.584 -0.005 0.000 1.413 107 A CA 0.967 53.019 52.037 0.026 0.000 1.074 107 A CB -1.456 17.563 19.000 0.031 0.000 1.087 107 A HN 0.536 nan 8.150 nan 0.000 0.553 108 H N 0.743 119.799 119.070 -0.024 0.000 1.452 108 H HA -0.349 4.206 4.556 -0.000 0.000 0.090 108 H C 1.098 176.406 175.328 -0.032 0.000 1.097 108 H CA 2.215 58.249 56.048 -0.024 0.000 1.901 108 H CB -1.505 28.246 29.762 -0.017 0.000 2.257 108 H HN 0.914 nan 8.280 nan 0.000 0.961 109 G N 1.580 109.745 108.800 -1.059 0.000 3.159 109 G HA2 0.235 4.195 3.960 -0.000 0.000 0.232 109 G HA3 0.235 4.195 3.960 -0.000 0.000 0.232 109 G C 0.380 174.914 174.900 -0.609 0.000 1.116 109 G CA 0.381 45.118 45.100 -0.605 0.000 0.767 109 G HN 0.647 nan 8.290 nan 0.000 0.547 110 E N 0.026 119.746 120.200 -0.799 0.000 2.435 110 E HA 0.235 4.585 4.350 -0.000 0.000 0.256 110 E C 0.195 176.645 176.600 -0.250 0.000 1.245 110 E CA -0.233 55.954 56.400 -0.355 0.000 0.989 110 E CB 0.733 30.339 29.700 -0.156 0.000 0.983 110 E HN 0.074 nan 8.360 nan 0.000 0.480 111 R N 0.991 121.367 120.500 -0.206 0.000 2.202 111 R HA 0.162 4.501 4.340 -0.000 0.000 0.334 111 R C -0.659 175.386 176.300 -0.425 0.000 1.036 111 R CA -0.035 55.877 56.100 -0.314 0.000 0.878 111 R CB 0.899 31.022 30.300 -0.296 0.000 1.067 111 R HN 0.304 nan 8.270 nan 0.000 0.457 112 S N 3.448 118.878 115.700 -0.449 0.000 2.646 112 S HA 0.582 5.052 4.470 -0.000 0.000 0.276 112 S C -1.139 173.072 174.600 -0.650 0.000 1.222 112 S CA -0.450 57.527 58.200 -0.371 0.000 1.014 112 S CB 0.516 63.607 63.200 -0.181 0.000 0.991 112 S HN 0.422 nan 8.310 nan 0.000 0.533 113 F N 1.316 121.214 119.950 -0.087 0.000 2.561 113 F HA 0.510 5.037 4.527 0.000 0.000 0.313 113 F C 0.128 175.774 175.800 -0.257 0.000 1.126 113 F CA -0.593 57.263 58.000 -0.240 0.000 0.918 113 F CB 2.204 41.038 39.000 -0.276 0.000 1.199 113 F HN 0.476 nan 8.300 nan 0.000 0.444 114 S N 4.101 119.728 115.700 -0.121 0.000 2.774 114 S HA 0.663 5.133 4.470 -0.000 0.000 0.297 114 S C -1.302 173.289 174.600 -0.015 0.000 1.143 114 S CA -0.352 57.832 58.200 -0.026 0.000 1.090 114 S CB -0.071 63.166 63.200 0.062 0.000 1.019 114 S HN 0.348 nan 8.310 nan 0.000 0.482 115 F N 3.361 123.412 119.950 0.170 0.000 2.399 115 F HA 0.433 4.960 4.527 0.000 0.000 0.334 115 F C -0.081 175.745 175.800 0.043 0.000 1.097 115 F CA -0.673 57.420 58.000 0.155 0.000 1.076 115 F CB 0.885 39.920 39.000 0.058 0.000 1.162 115 F HN 0.525 nan 8.300 nan 0.000 0.495 116 Y N 2.779 123.242 120.300 0.273 0.000 2.958 116 Y HA 0.380 4.930 4.550 -0.000 0.000 0.336 116 Y C 0.936 176.912 175.900 0.128 0.000 1.160 116 Y CA -0.131 58.070 58.100 0.168 0.000 1.292 116 Y CB 0.595 39.144 38.460 0.148 0.000 1.306 116 Y HN 0.600 nan 8.280 nan 0.000 0.547 117 R N 0.702 121.286 120.500 0.140 0.000 2.504 117 R HA 0.194 4.534 4.340 -0.000 0.000 0.341 117 R C -1.902 174.396 176.300 -0.002 0.000 0.905 117 R CA -0.354 55.786 56.100 0.066 0.000 1.133 117 R CB 0.193 30.506 30.300 0.022 0.000 1.704 117 R HN 0.303 nan 8.270 nan 0.000 0.503 118 P HA -0.077 nan 4.420 nan 0.000 0.216 118 P C -2.361 174.931 177.300 -0.013 0.000 1.153 118 P CA 1.287 64.372 63.100 -0.025 0.000 0.858 118 P CB -0.367 31.325 31.700 -0.014 0.000 0.789 119 P HA 0.556 nan 4.420 nan 0.000 0.307 119 P C -1.511 175.818 177.300 0.048 0.000 1.412 119 P CA -0.567 62.550 63.100 0.028 0.000 0.985 119 P CB 2.812 34.535 31.700 0.038 0.000 1.098 120 A N 1.655 124.499 122.820 0.041 0.000 2.583 120 A HA 0.588 4.908 4.320 -0.000 0.000 0.292 120 A C 0.773 178.387 177.584 0.049 0.000 1.045 120 A CA -0.044 52.026 52.037 0.055 0.000 0.672 120 A CB 0.456 19.486 19.000 0.050 0.000 1.283 120 A HN 0.353 nan 8.150 nan 0.000 0.419 121 A N 0.664 123.521 122.820 0.062 0.000 1.883 121 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 121 A C 1.638 179.259 177.584 0.061 0.000 1.186 121 A CA 2.402 54.476 52.037 0.062 0.000 0.624 121 A CB -0.852 18.195 19.000 0.078 0.000 0.822 121 A HN 1.111 nan 8.150 nan 0.000 0.444 122 D N -0.531 119.904 120.400 0.058 0.000 2.263 122 D HA -0.149 4.491 4.640 -0.000 0.000 0.208 122 D C 1.396 177.711 176.300 0.024 0.000 0.971 122 D CA 1.015 55.041 54.000 0.042 0.000 0.867 122 D CB -0.264 40.545 40.800 0.016 0.000 0.929 122 D HN 0.285 nan 8.370 nan 0.000 0.492 123 L N 0.135 121.369 121.223 0.019 0.000 2.465 123 L HA 0.019 4.359 4.340 -0.000 0.000 0.224 123 L C 1.837 178.744 176.870 0.060 0.000 1.145 123 L CA 0.556 55.404 54.840 0.014 0.000 0.834 123 L CB -0.689 41.363 42.059 -0.012 0.000 0.944 123 L HN 0.108 nan 8.230 nan 0.000 0.451 124 L N -2.020 119.250 121.223 0.077 0.000 2.592 124 L HA 0.124 4.464 4.340 -0.000 0.000 0.227 124 L C 0.501 177.449 176.870 0.129 0.000 1.127 124 L CA -0.008 54.882 54.840 0.085 0.000 0.884 124 L CB -1.005 41.083 42.059 0.049 0.000 1.065 124 L HN -0.017 nan 8.230 nan 0.000 0.457 125 F N 1.555 121.516 119.950 0.018 0.000 2.538 125 F HA 0.277 4.804 4.527 0.000 0.000 0.371 125 F C 0.871 176.771 175.800 0.167 0.000 1.087 125 F CA 0.167 58.206 58.000 0.065 0.000 1.250 125 F CB 0.211 39.228 39.000 0.029 0.000 1.110 125 F HN -0.054 nan 8.300 nan 0.000 0.570 126 R N 3.902 124.501 120.500 0.164 0.000 2.892 126 R HA 0.331 4.671 4.340 -0.000 0.000 0.265 126 R C 0.789 176.983 176.300 -0.177 0.000 1.025 126 R CA -0.786 55.326 56.100 0.020 0.000 0.982 126 R CB 1.214 31.462 30.300 -0.087 0.000 1.185 126 R HN 0.582 nan 8.270 nan 0.000 0.484 127 V N 1.735 121.627 119.914 -0.036 0.000 2.453 127 V HA -0.292 3.828 4.120 -0.000 0.000 0.252 127 V C 2.191 178.276 176.094 -0.015 0.000 1.068 127 V CA 2.470 64.815 62.300 0.074 0.000 1.070 127 V CB -0.633 31.276 31.823 0.142 0.000 0.664 127 V HN 0.793 nan 8.190 nan 0.000 0.461 128 E N -0.652 119.417 120.200 -0.218 0.000 2.333 128 E HA -0.261 4.089 4.350 -0.000 0.000 0.198 128 E C 1.727 178.119 176.600 -0.346 0.000 1.007 128 E CA 1.449 57.689 56.400 -0.267 0.000 0.845 128 E CB -0.401 29.081 29.700 -0.363 0.000 0.766 128 E HN 0.721 nan 8.360 nan 0.000 0.507 129 H N -0.357 118.493 119.070 -0.367 0.000 2.548 129 H HA 0.122 4.678 4.556 -0.000 0.000 0.268 129 H C 0.071 175.313 175.328 -0.143 0.000 0.975 129 H CA 0.150 55.880 56.048 -0.529 0.000 1.195 129 H CB -0.206 28.704 29.762 -1.420 0.000 1.397 129 H HN 0.098 nan 8.280 nan 0.000 0.572 130 F N 1.777 121.878 119.950 0.252 0.000 2.450 130 F HA 0.153 4.680 4.527 -0.000 0.000 0.339 130 F C 0.777 176.747 175.800 0.284 0.000 1.146 130 F CA 0.021 58.280 58.000 0.432 0.000 1.267 130 F CB 0.653 39.943 39.000 0.483 0.000 1.178 130 F HN -0.062 nan 8.300 nan 0.000 0.585 131 Q N 1.620 121.737 119.800 0.528 0.000 2.340 131 Q HA 0.199 4.539 4.340 -0.000 0.000 0.268 131 Q C 0.022 176.220 176.000 0.330 0.000 1.031 131 Q CA -0.728 55.266 55.803 0.319 0.000 0.804 131 Q CB 1.848 30.720 28.738 0.223 0.000 1.286 131 Q HN 0.498 nan 8.270 nan 0.000 0.448 132 D N 1.798 122.345 120.400 0.246 0.000 2.182 132 D HA -0.190 4.450 4.640 -0.000 0.000 0.201 132 D C 1.584 177.998 176.300 0.190 0.000 0.986 132 D CA 1.556 55.688 54.000 0.220 0.000 0.847 132 D CB 0.048 40.918 40.800 0.117 0.000 0.942 132 D HN 0.689 nan 8.370 nan 0.000 0.467 133 A N 0.295 123.196 122.820 0.136 0.000 1.972 133 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 133 A C 2.398 180.021 177.584 0.065 0.000 1.169 133 A CA 1.679 53.769 52.037 0.090 0.000 0.635 133 A CB -0.444 18.599 19.000 0.071 0.000 0.810 133 A HN 0.160 nan 8.150 nan 0.000 0.446 134 S N -0.672 115.057 115.700 0.048 0.000 2.356 134 S HA -0.108 4.362 4.470 -0.000 0.000 0.223 134 S C 1.559 176.056 174.600 -0.171 0.000 1.032 134 S CA 1.587 59.730 58.200 -0.094 0.000 1.005 134 S CB -0.523 62.558 63.200 -0.197 0.000 0.867 134 S HN 0.583 nan 8.310 nan 0.000 0.449 135 F N 1.905 121.869 119.950 0.023 0.000 2.259 135 F HA 0.008 4.534 4.527 -0.001 0.000 0.298 135 F C 2.698 178.492 175.800 -0.009 0.000 1.088 135 F CA 0.586 58.577 58.000 -0.016 0.000 1.358 135 F CB -0.691 38.255 39.000 -0.090 0.000 1.040 135 F HN 0.081 nan 8.300 nan 0.000 0.505 136 S N -0.258 115.536 115.700 0.157 0.000 2.356 136 S HA -0.178 4.292 4.470 -0.000 0.000 0.223 136 S C 1.432 176.066 174.600 0.058 0.000 1.032 136 S CA 1.608 59.862 58.200 0.090 0.000 1.005 136 S CB -0.319 62.922 63.200 0.070 0.000 0.867 136 S HN 0.365 nan 8.310 nan 0.000 0.449 137 D N 1.363 121.787 120.400 0.040 0.000 2.349 137 D HA 0.240 4.880 4.640 -0.000 0.000 0.215 137 D C 0.486 176.796 176.300 0.016 0.000 1.016 137 D CA 0.141 54.154 54.000 0.021 0.000 0.870 137 D CB -0.050 40.756 40.800 0.010 0.000 0.917 137 D HN 0.310 nan 8.370 nan 0.000 0.524 138 A N 0.854 123.686 122.820 0.021 0.000 2.366 138 A HA 0.276 4.596 4.320 -0.000 0.000 0.272 138 A C 0.787 178.407 177.584 0.059 0.000 1.135 138 A CA -0.298 51.755 52.037 0.027 0.000 0.804 138 A CB 0.736 19.741 19.000 0.009 0.000 1.064 138 A HN 0.137 nan 8.150 nan 0.000 0.499 139 L N 2.622 123.880 121.223 0.059 0.000 2.575 139 L HA 0.513 4.853 4.340 -0.000 0.000 0.228 139 L C 0.019 176.958 176.870 0.116 0.000 1.075 139 L CA 1.022 55.907 54.840 0.074 0.000 0.867 139 L CB -0.057 42.035 42.059 0.056 0.000 1.097 139 L HN 0.628 nan 8.230 nan 0.000 0.485 140 I N -0.865 119.781 120.570 0.127 0.000 2.722 140 I HA 0.256 4.426 4.170 -0.000 0.000 0.295 140 I C -1.657 174.593 176.117 0.223 0.000 1.161 140 I CA -0.639 60.773 61.300 0.186 0.000 1.032 140 I CB 2.486 40.590 38.000 0.172 0.000 1.244 140 I HN -0.153 nan 8.210 nan 0.000 0.421 141 F N 5.639 125.660 119.950 0.118 0.000 2.499 141 F HA 0.445 4.971 4.527 -0.001 0.000 0.333 141 F C -0.710 175.205 175.800 0.192 0.000 1.138 141 F CA -0.256 57.806 58.000 0.103 0.000 0.945 141 F CB 0.851 39.900 39.000 0.082 0.000 1.181 141 F HN 0.449 nan 8.300 nan 0.000 0.435 142 H N 5.220 124.143 119.070 -0.246 0.000 2.466 142 H HA 0.827 5.382 4.556 -0.001 0.000 0.338 142 H C -1.587 173.649 175.328 -0.153 0.000 1.091 142 H CA -0.377 55.633 56.048 -0.063 0.000 1.207 142 H CB 1.752 31.515 29.762 0.001 0.000 1.466 142 H HN 0.885 nan 8.280 nan 0.000 0.493 143 A N 3.575 126.097 122.820 -0.498 0.000 2.569 143 A HA 0.653 4.973 4.320 -0.000 0.000 0.290 143 A C -1.125 176.435 177.584 -0.040 0.000 1.136 143 A CA -0.507 51.432 52.037 -0.163 0.000 0.710 143 A CB 1.157 20.265 19.000 0.179 0.000 1.303 143 A HN 0.738 nan 8.150 nan 0.000 0.413 144 C N -0.664 118.729 119.300 0.156 0.000 3.044 144 C HA 0.636 5.096 4.460 -0.000 0.000 0.315 144 C C 1.988 177.224 174.990 0.409 0.000 1.320 144 C CA 0.270 59.426 59.018 0.230 0.000 1.582 144 C CB 1.911 29.716 27.740 0.108 0.000 2.039 144 C HN 1.172 nan 8.230 nan 0.000 0.466 145 S N 0.797 116.731 115.700 0.390 0.000 2.515 145 S HA -0.107 4.363 4.470 -0.000 0.000 0.231 145 S C 0.975 175.755 174.600 0.301 0.000 0.987 145 S CA 1.125 59.611 58.200 0.477 0.000 0.936 145 S CB -0.465 63.056 63.200 0.536 0.000 0.766 145 S HN 0.752 nan 8.310 nan 0.000 0.528 146 N N 2.532 121.320 118.700 0.147 0.000 2.364 146 N HA -0.025 4.715 4.740 -0.000 0.000 0.183 146 N C 1.105 176.538 175.510 -0.129 0.000 1.022 146 N CA 1.031 54.062 53.050 -0.032 0.000 0.883 146 N CB -0.329 38.122 38.487 -0.060 0.000 0.965 146 N HN 0.757 nan 8.380 nan 0.000 0.438 150 D N 0.440 120.658 120.400 -0.303 0.000 2.596 150 D HA 0.789 5.429 4.640 -0.000 0.000 0.234 150 D C 1.399 177.671 176.300 -0.047 0.000 1.181 150 D CA -0.239 53.692 54.000 -0.114 0.000 0.856 150 D CB 1.368 42.120 40.800 -0.081 0.000 1.498 150 D HN 0.133 nan 8.370 nan 0.000 0.446 151 A N 1.180 124.015 122.820 0.023 0.000 1.892 151 A HA -0.226 4.093 4.320 -0.000 0.000 0.218 151 A C 1.494 179.102 177.584 0.040 0.000 1.188 151 A CA 2.110 54.183 52.037 0.060 0.000 0.631 151 A CB -0.856 18.192 19.000 0.079 0.000 0.822 151 A HN 0.653 nan 8.150 nan 0.000 0.447 152 D N -0.619 119.797 120.400 0.028 0.000 2.084 152 D HA -0.113 4.526 4.640 -0.000 0.000 0.194 152 D C 1.755 178.073 176.300 0.029 0.000 0.990 152 D CA 1.314 55.336 54.000 0.036 0.000 0.826 152 D CB -0.451 40.371 40.800 0.038 0.000 0.971 152 D HN 0.382 nan 8.370 nan 0.000 0.453 153 I N 0.832 121.406 120.570 0.006 0.000 2.394 153 I HA -0.145 4.025 4.170 -0.000 0.000 0.251 153 I C 2.013 178.094 176.117 -0.060 0.000 1.136 153 I CA 0.775 62.086 61.300 0.018 0.000 1.425 153 I CB -0.396 37.596 38.000 -0.013 0.000 1.079 153 I HN -0.067 nan 8.210 nan 0.000 0.425 154 A N -0.075 122.649 122.820 -0.159 0.000 1.877 154 A HA -0.261 4.059 4.320 -0.000 0.000 0.216 154 A C 2.282 179.478 177.584 -0.646 0.000 1.186 154 A CA 1.957 53.733 52.037 -0.434 0.000 0.620 154 A CB -0.819 18.018 19.000 -0.271 0.000 0.822 154 A HN 0.506 nan 8.150 nan 0.000 0.443 155 E N 0.040 120.138 120.200 -0.170 0.000 2.110 155 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 155 E C 1.729 178.356 176.600 0.045 0.000 0.988 155 E CA 1.567 58.001 56.400 0.057 0.000 0.804 155 E CB -0.465 29.313 29.700 0.130 0.000 0.745 155 E HN 0.242 nan 8.360 nan 0.000 0.458 156 V N 0.343 120.284 119.914 0.045 0.000 2.343 156 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 156 V C 2.277 178.432 176.094 0.103 0.000 1.051 156 V CA 2.184 64.571 62.300 0.145 0.000 1.036 156 V CB -0.838 31.119 31.823 0.224 0.000 0.654 156 V HN 0.379 nan 8.190 nan 0.000 0.451 157 T N 0.338 114.887 114.554 -0.008 0.000 2.777 157 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 157 T C 1.689 176.380 174.700 -0.015 0.000 1.040 157 T CA 1.609 63.706 62.100 -0.004 0.000 1.141 157 T CB -0.370 68.481 68.868 -0.029 0.000 0.868 157 T HN 0.344 nan 8.240 nan 0.000 0.444 158 F N 1.660 121.624 119.950 0.022 0.000 2.134 158 F HA 0.020 4.548 4.527 0.001 0.000 0.299 158 F C 2.526 178.260 175.800 -0.110 0.000 1.097 158 F CA 0.650 58.621 58.000 -0.049 0.000 1.264 158 F CB -1.079 37.908 39.000 -0.022 0.000 1.001 158 F HN 0.124 nan 8.300 nan 0.000 0.479 159 E N 0.593 120.856 120.200 0.105 0.000 2.110 159 E HA -0.009 4.341 4.350 -0.000 0.000 0.193 159 E C 1.737 178.172 176.600 -0.276 0.000 0.988 159 E CA 0.861 57.240 56.400 -0.035 0.000 0.804 159 E CB -0.759 28.975 29.700 0.057 0.000 0.745 159 E HN 0.227 nan 8.360 nan 0.000 0.458 163 R N 1.560 121.751 120.500 -0.515 0.000 2.075 163 R HA 0.066 4.406 4.340 -0.000 0.000 0.232 163 R C 2.018 177.966 176.300 -0.587 0.000 1.126 163 R CA 1.752 57.434 56.100 -0.697 0.000 0.963 163 R CB -0.096 29.463 30.300 -1.236 0.000 0.858 163 R HN 0.228 nan 8.270 nan 0.000 0.435 164 A N 0.821 123.343 122.820 -0.497 0.000 1.883 164 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 164 A C 2.103 179.638 177.584 -0.082 0.000 1.186 164 A CA 1.495 53.461 52.037 -0.118 0.000 0.624 164 A CB -0.742 18.133 19.000 -0.208 0.000 0.822 164 A HN 0.424 nan 8.150 nan 0.000 0.444 165 Q N -0.011 119.712 119.800 -0.128 0.000 2.061 165 Q HA -0.183 4.157 4.340 -0.000 0.000 0.204 165 Q C 2.209 178.164 176.000 -0.075 0.000 0.984 165 Q CA 2.208 57.969 55.803 -0.070 0.000 0.846 165 Q CB -0.556 28.139 28.738 -0.071 0.000 0.902 165 Q HN 0.557 nan 8.270 nan 0.000 0.421 166 A N 0.357 123.104 122.820 -0.121 0.000 2.019 166 A HA 0.027 4.347 4.320 -0.000 0.000 0.219 166 A C 2.027 179.559 177.584 -0.086 0.000 1.164 166 A CA 1.563 53.535 52.037 -0.109 0.000 0.644 166 A CB -0.499 18.414 19.000 -0.144 0.000 0.805 166 A HN 0.449 nan 8.150 nan 0.000 0.449 167 A N -1.720 121.052 122.820 -0.081 0.000 2.278 167 A HA 0.439 4.759 4.320 -0.000 0.000 0.212 167 A C 1.570 179.161 177.584 0.011 0.000 1.213 167 A CA 1.010 53.032 52.037 -0.024 0.000 0.840 167 A CB -0.882 18.133 19.000 0.025 0.000 0.866 167 A HN 1.836 nan 8.150 nan 0.000 0.489 168 G N -1.986 106.813 108.800 -0.001 0.000 2.142 168 G HA2 0.165 4.125 3.960 -0.000 0.000 0.225 168 G HA3 0.165 4.125 3.960 -0.000 0.000 0.225 168 G C 0.189 175.108 174.900 0.033 0.000 1.015 168 G CA 0.235 45.340 45.100 0.008 0.000 0.716 168 G HN 1.595 nan 8.290 nan 0.000 0.508 169 A N -0.389 122.463 122.820 0.055 0.000 2.340 169 A HA 0.850 5.170 4.320 -0.000 0.000 0.331 169 A C 0.317 177.961 177.584 0.101 0.000 1.140 169 A CA -0.740 51.353 52.037 0.095 0.000 0.801 169 A CB 0.989 20.077 19.000 0.148 0.000 1.234 169 A HN 0.696 nan 8.150 nan 0.000 0.469 170 I N 1.700 122.346 120.570 0.127 0.000 2.496 170 I HA 0.162 4.332 4.170 -0.000 0.000 0.285 170 I C -0.395 175.853 176.117 0.219 0.000 1.080 170 I CA -0.073 61.312 61.300 0.142 0.000 1.404 170 I CB 1.260 39.352 38.000 0.154 0.000 1.403 170 I HN 0.272 nan 8.210 nan 0.000 0.539 171 V N 5.940 125.984 119.914 0.216 0.000 2.350 171 V HA 0.210 4.330 4.120 -0.000 0.000 0.276 171 V C 0.209 176.505 176.094 0.336 0.000 1.028 171 V CA -0.230 62.245 62.300 0.291 0.000 0.860 171 V CB 1.305 33.253 31.823 0.208 0.000 0.990 171 V HN 0.778 nan 8.190 nan 0.000 0.453 172 S N 5.390 121.331 115.700 0.401 0.000 2.451 172 S HA 0.737 5.207 4.470 -0.000 0.000 0.301 172 S C -1.196 173.671 174.600 0.445 0.000 1.116 172 S CA -0.438 58.035 58.200 0.456 0.000 1.093 172 S CB 0.812 64.340 63.200 0.546 0.000 1.017 172 S HN 0.531 nan 8.310 nan 0.000 0.482 173 F N 4.390 124.473 119.950 0.221 0.000 2.553 173 F HA 0.456 4.982 4.527 -0.002 0.000 0.335 173 F C -0.989 174.902 175.800 0.152 0.000 1.148 173 F CA -1.468 56.598 58.000 0.110 0.000 0.963 173 F CB 1.504 40.592 39.000 0.147 0.000 1.217 173 F HN 0.562 nan 8.300 nan 0.000 0.441 174 D N 6.105 126.452 120.400 -0.088 0.000 2.412 174 D HA 0.172 4.811 4.640 -0.000 0.000 0.224 174 D C 1.049 177.086 176.300 -0.438 0.000 1.093 174 D CA -0.246 53.693 54.000 -0.101 0.000 0.850 174 D CB 1.091 42.032 40.800 0.235 0.000 1.046 174 D HN 0.583 nan 8.370 nan 0.000 0.507 175 L N 4.599 125.438 121.223 -0.640 0.000 1.976 175 L HA -0.200 4.140 4.340 -0.000 0.000 0.223 175 L C 1.256 178.023 176.870 -0.172 0.000 1.081 175 L CA 1.744 56.228 54.840 -0.592 0.000 0.784 175 L CB -0.720 41.118 42.059 -0.369 0.000 0.896 175 L HN 0.794 nan 8.230 nan 0.000 0.438 176 N N -0.937 117.730 118.700 -0.056 0.000 2.725 176 N HA -0.299 4.441 4.740 -0.000 0.000 0.251 176 N C -0.370 175.212 175.510 0.120 0.000 1.031 176 N CA 0.223 53.297 53.050 0.038 0.000 0.720 176 N CB -1.070 37.449 38.487 0.054 0.000 0.930 176 N HN 0.180 nan 8.380 nan 0.000 0.543 177 F N 1.768 121.667 119.950 -0.084 0.000 2.541 177 F HA 0.184 4.712 4.527 0.001 0.000 0.378 177 F C 0.616 176.372 175.800 -0.073 0.000 1.068 177 F CA -0.142 57.807 58.000 -0.085 0.000 1.199 177 F CB 0.386 39.241 39.000 -0.242 0.000 1.091 177 F HN 0.018 nan 8.300 nan 0.000 0.555 178 R N 7.284 127.637 120.500 -0.244 0.000 2.443 178 R HA 0.305 4.645 4.340 -0.000 0.000 0.287 178 R C -2.489 173.569 176.300 -0.404 0.000 1.425 178 R CA -1.892 53.998 56.100 -0.350 0.000 1.300 178 R CB 0.655 30.827 30.300 -0.214 0.000 1.129 178 R HN 0.418 nan 8.270 nan 0.000 0.577 182 W N 2.059 123.312 121.300 -0.078 0.000 2.449 182 W HA 0.531 5.193 4.660 0.003 0.000 0.331 182 W C -1.909 174.616 176.519 0.010 0.000 1.119 182 W CA -1.606 55.738 57.345 -0.002 0.000 1.240 182 W CB -0.168 29.329 29.460 0.062 0.000 1.251 182 W HN -0.303 nan 8.180 nan 0.000 0.576 183 P HA -0.091 nan 4.420 nan 0.000 0.266 183 P C 0.050 177.447 177.300 0.161 0.000 1.195 183 P CA 0.035 63.225 63.100 0.150 0.000 0.768 183 P CB 0.474 32.252 31.700 0.131 0.000 0.838 184 N N 1.694 120.460 118.700 0.110 0.000 2.454 184 N HA 0.058 4.798 4.740 -0.000 0.000 0.254 184 N C 1.577 177.145 175.510 0.096 0.000 1.228 184 N CA 1.754 54.861 53.050 0.095 0.000 0.900 184 N CB 0.336 38.864 38.487 0.068 0.000 1.089 184 N HN 0.717 nan 8.380 nan 0.000 0.449 185 G N 1.922 110.777 108.800 0.092 0.000 2.284 185 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.261 185 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.261 185 G C -0.038 174.923 174.900 0.101 0.000 0.997 185 G CA 0.382 45.533 45.100 0.085 0.000 0.621 185 G HN 0.669 nan 8.290 nan 0.000 0.534 186 E N 0.702 120.982 120.200 0.133 0.000 2.301 186 E HA 0.345 4.695 4.350 -0.000 0.000 0.275 186 E C -0.303 176.389 176.600 0.153 0.000 1.030 186 E CA -0.693 55.801 56.400 0.157 0.000 0.852 186 E CB 0.761 30.587 29.700 0.211 0.000 1.060 186 E HN 0.164 nan 8.360 nan 0.000 0.401 187 N N 3.627 122.407 118.700 0.133 0.000 2.462 187 N HA 0.112 4.852 4.740 -0.000 0.000 0.242 187 N C -1.715 173.841 175.510 0.077 0.000 1.010 187 N CA -1.863 51.248 53.050 0.102 0.000 0.939 187 N CB 0.990 39.532 38.487 0.092 0.000 1.127 187 N HN 0.305 nan 8.380 nan 0.000 0.509 188 P HA 0.019 nan 4.420 nan 0.000 0.233 188 P C 0.968 178.146 177.300 -0.204 0.000 1.167 188 P CA 0.235 63.118 63.100 -0.362 0.000 0.770 188 P CB 0.339 31.239 31.700 -1.333 0.000 0.837 189 A N 1.067 123.866 122.820 -0.035 0.000 1.896 189 A HA -0.277 4.043 4.320 -0.000 0.000 0.220 189 A C 2.629 180.316 177.584 0.173 0.000 1.206 189 A CA 2.580 54.652 52.037 0.058 0.000 0.647 189 A CB -1.649 17.422 19.000 0.117 0.000 0.828 189 A HN 0.322 nan 8.150 nan 0.000 0.455 190 S N -0.832 114.978 115.700 0.184 0.000 2.359 190 S HA -0.247 4.223 4.470 -0.000 0.000 0.223 190 S C 2.194 176.934 174.600 0.233 0.000 1.039 190 S CA 1.855 60.181 58.200 0.210 0.000 1.042 190 S CB -0.332 62.965 63.200 0.162 0.000 0.915 190 S HN 0.637 nan 8.310 nan 0.000 0.439 191 R N 0.229 120.896 120.500 0.278 0.000 2.075 191 R HA 0.080 4.420 4.340 -0.000 0.000 0.232 191 R C 2.446 178.975 176.300 0.382 0.000 1.126 191 R CA 1.428 57.794 56.100 0.443 0.000 0.963 191 R CB -0.472 30.189 30.300 0.603 0.000 0.858 191 R HN 0.415 nan 8.270 nan 0.000 0.435 192 L N -1.116 120.226 121.223 0.198 0.000 2.012 192 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 192 L C 2.177 179.104 176.870 0.096 0.000 1.073 192 L CA 1.526 56.425 54.840 0.098 0.000 0.748 192 L CB -0.492 41.411 42.059 -0.260 0.000 0.891 192 L HN 0.314 nan 8.230 nan 0.000 0.431 193 W N 0.534 121.884 121.300 0.083 0.000 2.363 193 W HA -0.194 4.465 4.660 -0.002 0.000 0.296 193 W C 2.787 179.307 176.519 0.001 0.000 1.212 193 W CA 1.024 58.392 57.345 0.039 0.000 1.260 193 W CB -0.006 29.447 29.460 -0.011 0.000 1.131 193 W HN 0.070 nan 8.180 nan 0.000 0.530 194 K N 0.263 120.763 120.400 0.166 0.000 2.057 194 K HA -0.108 4.212 4.320 -0.000 0.000 0.206 194 K C 2.295 178.803 176.600 -0.154 0.000 1.050 194 K CA 1.746 57.960 56.287 -0.122 0.000 0.935 194 K CB -0.756 31.452 32.500 -0.488 0.000 0.715 194 K HN 0.140 nan 8.250 nan 0.000 0.439 195 G N 1.307 110.109 108.800 0.005 0.000 2.418 195 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 195 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 195 G C 1.474 176.293 174.900 -0.134 0.000 1.158 195 G CA 0.817 45.829 45.100 -0.146 0.000 0.771 195 G HN 0.232 nan 8.290 nan 0.000 0.545 196 L N 1.545 122.880 121.223 0.186 0.000 2.131 196 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 196 L C 3.204 180.213 176.870 0.232 0.000 1.092 196 L CA 1.494 56.529 54.840 0.323 0.000 0.759 196 L CB -0.314 41.907 42.059 0.271 0.000 0.903 196 L HN 0.442 nan 8.230 nan 0.000 0.435 197 S N -0.692 115.109 115.700 0.168 0.000 2.489 197 S HA -0.025 4.445 4.470 -0.000 0.000 0.228 197 S C 1.643 176.289 174.600 0.076 0.000 0.995 197 S CA 0.478 58.753 58.200 0.124 0.000 0.934 197 S CB -0.245 62.998 63.200 0.072 0.000 0.771 197 S HN 0.424 nan 8.310 nan 0.000 0.522 198 L N 0.854 122.101 121.223 0.040 0.000 2.607 198 L HA 0.460 4.800 4.340 -0.000 0.000 0.228 198 L C 1.002 177.915 176.870 0.072 0.000 1.123 198 L CA -0.061 54.790 54.840 0.020 0.000 0.890 198 L CB -0.089 41.950 42.059 -0.033 0.000 1.103 198 L HN 0.350 nan 8.230 nan 0.000 0.468 199 A N -0.545 122.360 122.820 0.141 0.000 2.312 199 A HA 0.298 4.618 4.320 -0.000 0.000 0.326 199 A C 0.300 178.025 177.584 0.234 0.000 1.172 199 A CA -0.538 51.629 52.037 0.216 0.000 0.821 199 A CB 0.683 19.884 19.000 0.334 0.000 1.166 199 A HN 0.087 nan 8.150 nan 0.000 0.493 200 D N 0.396 120.934 120.400 0.229 0.000 2.183 200 D HA 0.052 4.692 4.640 -0.000 0.000 0.205 200 D C 0.020 176.489 176.300 0.283 0.000 0.962 200 D CA 1.454 55.582 54.000 0.214 0.000 0.849 200 D CB 0.353 41.245 40.800 0.154 0.000 0.978 200 D HN 0.253 nan 8.370 nan 0.000 0.488 201 V N 1.812 121.923 119.914 0.328 0.000 2.487 201 V HA 0.333 4.453 4.120 -0.000 0.000 0.298 201 V C -0.068 176.260 176.094 0.391 0.000 1.028 201 V CA -0.687 61.846 62.300 0.387 0.000 0.860 201 V CB 2.525 34.614 31.823 0.444 0.000 0.991 201 V HN -0.229 nan 8.190 nan 0.000 0.427 202 V N 4.401 124.535 119.914 0.368 0.000 2.656 202 V HA 0.590 4.710 4.120 -0.000 0.000 0.307 202 V C -0.351 175.888 176.094 0.242 0.000 1.051 202 V CA -0.885 61.590 62.300 0.291 0.000 0.893 202 V CB 2.142 34.112 31.823 0.245 0.000 0.999 202 V HN 0.879 nan 8.190 nan 0.000 0.426 203 K N 4.680 125.169 120.400 0.148 0.000 2.463 203 K HA 0.795 5.115 4.320 -0.000 0.000 0.255 203 K C -1.808 174.801 176.600 0.014 0.000 0.942 203 K CA -0.518 55.846 56.287 0.128 0.000 0.814 203 K CB 1.415 34.017 32.500 0.171 0.000 1.122 203 K HN 0.637 nan 8.250 nan 0.000 0.425 204 L N 2.067 123.307 121.223 0.028 0.000 2.350 204 L HA 0.503 4.843 4.340 -0.000 0.000 0.260 204 L C -0.115 176.760 176.870 0.008 0.000 1.015 204 L CA -1.075 53.754 54.840 -0.019 0.000 0.821 204 L CB 2.251 44.287 42.059 -0.039 0.000 1.370 204 L HN 0.767 nan 8.230 nan 0.000 0.416 205 S N -0.919 114.780 115.700 -0.001 0.000 2.687 205 S HA 0.335 4.805 4.470 -0.000 0.000 0.283 205 S C 0.770 175.377 174.600 0.012 0.000 1.170 205 S CA -0.548 57.659 58.200 0.010 0.000 1.008 205 S CB 1.712 64.919 63.200 0.012 0.000 1.026 205 S HN 0.547 nan 8.310 nan 0.000 0.541 206 S N 1.095 116.803 115.700 0.014 0.000 2.370 206 S HA -0.134 4.335 4.470 -0.000 0.000 0.226 206 S C 1.667 176.276 174.600 0.015 0.000 1.033 206 S CA 1.849 60.052 58.200 0.006 0.000 1.011 206 S CB -0.641 62.560 63.200 0.003 0.000 0.852 206 S HN 0.838 nan 8.310 nan 0.000 0.457 207 E N 1.393 121.609 120.200 0.027 0.000 2.077 207 E HA -0.138 4.211 4.350 -0.000 0.000 0.193 207 E C 2.039 178.684 176.600 0.075 0.000 0.989 207 E CA 1.176 57.604 56.400 0.046 0.000 0.800 207 E CB -0.211 29.514 29.700 0.041 0.000 0.746 207 E HN 0.591 nan 8.360 nan 0.000 0.452 208 E N 0.101 120.333 120.200 0.053 0.000 2.150 208 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 208 E C 1.919 178.544 176.600 0.041 0.000 0.985 208 E CA 0.511 56.946 56.400 0.057 0.000 0.814 208 E CB -0.065 29.630 29.700 -0.009 0.000 0.752 208 E HN 0.103 nan 8.360 nan 0.000 0.466 209 L N 1.625 122.848 121.223 0.000 0.000 2.056 209 L HA -0.164 4.176 4.340 -0.000 0.000 0.207 209 L C 1.466 178.330 176.870 -0.009 0.000 1.078 209 L CA 1.858 56.678 54.840 -0.034 0.000 0.749 209 L CB -0.276 41.756 42.059 -0.046 0.000 0.901 209 L HN -0.025 nan 8.230 nan 0.000 0.433 210 D N -1.504 118.910 120.400 0.024 0.000 2.117 210 D HA -0.252 4.388 4.640 -0.000 0.000 0.198 210 D C 2.004 178.332 176.300 0.046 0.000 0.982 210 D CA 1.650 55.667 54.000 0.028 0.000 0.828 210 D CB -0.354 40.470 40.800 0.040 0.000 0.967 210 D HN 0.484 nan 8.370 nan 0.000 0.464 211 Y N 1.828 122.112 120.300 -0.027 0.000 2.097 211 Y HA -0.207 4.345 4.550 0.003 0.000 0.282 211 Y C 2.242 178.111 175.900 -0.051 0.000 1.152 211 Y CA 1.442 59.526 58.100 -0.027 0.000 1.136 211 Y CB -0.540 37.908 38.460 -0.019 0.000 0.975 211 Y HN -0.110 nan 8.280 nan 0.000 0.498 212 L N -0.107 121.041 121.223 -0.124 0.000 2.083 212 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 212 L C 2.817 179.679 176.870 -0.014 0.000 1.083 212 L CA 1.129 55.850 54.840 -0.197 0.000 0.752 212 L CB -1.003 40.892 42.059 -0.274 0.000 0.899 212 L HN 0.383 nan 8.230 nan 0.000 0.433 213 A N 0.218 123.025 122.820 -0.022 0.000 1.902 213 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 213 A C 2.076 179.639 177.584 -0.035 0.000 1.181 213 A CA 1.750 53.787 52.037 0.000 0.000 0.623 213 A CB -0.525 18.465 19.000 -0.017 0.000 0.818 213 A HN 0.446 nan 8.150 nan 0.000 0.443 214 N N 0.084 118.732 118.700 -0.087 0.000 2.120 214 N HA -0.139 4.600 4.740 -0.000 0.000 0.188 214 N C 1.927 177.364 175.510 -0.122 0.000 1.024 214 N CA 2.118 55.107 53.050 -0.101 0.000 0.852 214 N CB -0.828 37.590 38.487 -0.114 0.000 1.003 214 N HN 0.711 nan 8.380 nan 0.000 0.424 215 T N -1.165 113.276 114.554 -0.188 0.000 3.007 215 T HA 0.013 4.363 4.350 -0.000 0.000 0.270 215 T C 1.724 176.408 174.700 -0.025 0.000 1.107 215 T CA 0.664 62.694 62.100 -0.118 0.000 1.118 215 T CB -0.197 68.619 68.868 -0.087 0.000 0.889 215 T HN 0.141 nan 8.240 nan 0.000 0.506 216 L N -0.066 121.149 121.223 -0.013 0.000 2.693 216 L HA 0.531 4.871 4.340 -0.000 0.000 0.235 216 L C 1.612 178.451 176.870 -0.051 0.000 1.127 216 L CA 0.082 54.895 54.840 -0.046 0.000 0.914 216 L CB -0.255 41.783 42.059 -0.034 0.000 1.193 216 L HN 0.370 nan 8.230 nan 0.000 0.502 217 A N 0.622 123.415 122.820 -0.044 0.000 2.791 217 A HA -0.047 4.273 4.320 -0.000 0.000 0.292 217 A C 0.575 178.138 177.584 -0.035 0.000 1.487 217 A CA 0.941 52.955 52.037 -0.039 0.000 0.760 217 A CB -1.811 17.166 19.000 -0.038 0.000 1.031 217 A HN 0.548 nan 8.150 nan 0.000 0.503 218 A N -0.872 121.929 122.820 -0.032 0.000 3.502 218 A HA 0.845 5.164 4.320 -0.000 0.000 0.264 218 A C -0.377 177.192 177.584 -0.025 0.000 1.099 218 A CA 0.316 52.335 52.037 -0.030 0.000 0.690 218 A CB 0.367 19.345 19.000 -0.036 0.000 1.449 218 A HN 1.243 nan 8.150 nan 0.000 0.700 219 D N -1.981 118.403 120.400 -0.027 0.000 2.525 219 D HA 0.635 5.274 4.640 -0.000 0.000 0.249 219 D C 0.867 177.144 176.300 -0.039 0.000 1.072 219 D CA 0.093 54.075 54.000 -0.030 0.000 1.067 219 D CB 0.898 41.680 40.800 -0.029 0.000 1.282 219 D HN 0.648 nan 8.370 nan 0.000 0.587 220 A N 0.183 122.971 122.820 -0.053 0.000 1.917 220 A HA -0.306 4.014 4.320 -0.000 0.000 0.219 220 A C 1.923 179.435 177.584 -0.120 0.000 1.182 220 A CA 2.470 54.455 52.037 -0.086 0.000 0.633 220 A CB -1.399 17.541 19.000 -0.099 0.000 0.819 220 A HN 0.721 nan 8.150 nan 0.000 0.448 221 N N 0.152 118.792 118.700 -0.099 0.000 2.104 221 N HA -0.103 4.637 4.740 -0.000 0.000 0.190 221 N C 1.708 177.160 175.510 -0.096 0.000 1.024 221 N CA 2.118 55.107 53.050 -0.102 0.000 0.853 221 N CB -0.394 38.062 38.487 -0.052 0.000 1.008 221 N HN 0.372 nan 8.380 nan 0.000 0.424 222 A N -0.108 122.672 122.820 -0.066 0.000 1.940 222 A HA -0.079 4.240 4.320 -0.000 0.000 0.219 222 A C 2.405 179.955 177.584 -0.057 0.000 1.176 222 A CA 1.628 53.630 52.037 -0.059 0.000 0.631 222 A CB -0.866 18.105 19.000 -0.048 0.000 0.814 222 A HN 0.208 nan 8.150 nan 0.000 0.446 223 V N 0.207 120.106 119.914 -0.025 0.000 2.295 223 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 223 V C 2.418 178.466 176.094 -0.077 0.000 1.049 223 V CA 2.031 64.378 62.300 0.078 0.000 1.024 223 V CB -0.663 31.192 31.823 0.053 0.000 0.648 223 V HN 0.584 nan 8.190 nan 0.000 0.447 224 I N -0.345 120.068 120.570 -0.263 0.000 2.226 224 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 224 I C 2.711 178.409 176.117 -0.697 0.000 1.100 224 I CA 1.229 62.188 61.300 -0.569 0.000 1.374 224 I CB -0.450 37.202 38.000 -0.580 0.000 1.057 224 I HN 0.323 nan 8.210 nan 0.000 0.413 225 Q N 0.234 119.840 119.800 -0.323 0.000 2.124 225 Q HA -0.263 4.077 4.340 -0.000 0.000 0.202 225 Q C 2.087 178.036 176.000 -0.084 0.000 0.977 225 Q CA 1.501 57.226 55.803 -0.131 0.000 0.850 225 Q CB -0.412 28.316 28.738 -0.016 0.000 0.901 225 Q HN 0.488 nan 8.270 nan 0.000 0.429 226 Q N 0.563 120.297 119.800 -0.109 0.000 2.084 226 Q HA -0.054 4.286 4.340 -0.000 0.000 0.202 226 Q C 2.047 178.055 176.000 0.013 0.000 0.978 226 Q CA 1.060 56.813 55.803 -0.083 0.000 0.844 226 Q CB -0.203 28.419 28.738 -0.193 0.000 0.898 226 Q HN 0.369 nan 8.270 nan 0.000 0.426 227 L N -1.274 119.928 121.223 -0.035 0.000 2.046 227 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 227 L C 2.030 179.022 176.870 0.203 0.000 1.077 227 L CA 1.293 56.138 54.840 0.010 0.000 0.747 227 L CB -0.608 41.290 42.059 -0.268 0.000 0.896 227 L HN 0.428 nan 8.230 nan 0.000 0.432 228 W N -0.236 121.125 121.300 0.103 0.000 2.611 228 W HA -0.134 4.520 4.660 -0.010 0.000 0.251 228 W C 2.422 178.977 176.519 0.060 0.000 1.265 228 W CA -0.555 56.841 57.345 0.085 0.000 1.295 228 W CB -0.005 29.499 29.460 0.073 0.000 1.129 228 W HN 0.225 nan 8.180 nan 0.000 0.630 229 Q N -0.050 119.904 119.800 0.256 0.000 2.378 229 Q HA 0.044 4.384 4.340 -0.000 0.000 0.205 229 Q C 1.484 177.558 176.000 0.123 0.000 0.954 229 Q CA 1.120 57.007 55.803 0.140 0.000 0.901 229 Q CB -0.427 28.345 28.738 0.057 0.000 0.981 229 Q HN 0.333 nan 8.270 nan 0.000 0.483 230 G N -0.117 108.782 108.800 0.165 0.000 3.075 230 G HA2 0.151 4.111 3.960 -0.000 0.000 0.156 230 G HA3 0.151 4.111 3.960 -0.000 0.000 0.156 230 G C 0.851 175.845 174.900 0.156 0.000 1.403 230 G CA -0.375 44.807 45.100 0.137 0.000 1.033 230 G HN -0.004 nan 8.290 nan 0.000 0.589 231 R N 0.127 120.719 120.500 0.152 0.000 2.210 231 R HA 0.223 4.563 4.340 -0.000 0.000 0.203 231 R C 1.355 177.780 176.300 0.208 0.000 1.010 231 R CA 0.429 56.615 56.100 0.143 0.000 1.008 231 R CB -0.631 29.735 30.300 0.108 0.000 0.923 231 R HN 0.430 nan 8.270 nan 0.000 0.469 232 A N 2.069 125.071 122.820 0.303 0.000 2.580 232 A HA -0.070 4.250 4.320 -0.000 0.000 0.244 232 A C 0.835 178.705 177.584 0.477 0.000 1.045 232 A CA 0.539 52.835 52.037 0.432 0.000 0.761 232 A CB 0.314 19.617 19.000 0.505 0.000 0.962 232 A HN 0.176 nan 8.150 nan 0.000 0.512 233 Q N 0.347 120.365 119.800 0.362 0.000 2.288 233 Q HA 0.243 4.583 4.340 -0.000 0.000 0.256 233 Q C -0.668 175.492 176.000 0.266 0.000 0.835 233 Q CA 0.233 56.132 55.803 0.161 0.000 0.958 233 Q CB 0.838 29.614 28.738 0.064 0.000 1.125 233 Q HN 0.695 nan 8.270 nan 0.000 0.513 234 L N 0.969 122.470 121.223 0.463 0.000 2.464 234 L HA 0.559 4.899 4.340 -0.000 0.000 0.266 234 L C -1.908 175.319 176.870 0.595 0.000 0.965 234 L CA -0.900 54.264 54.840 0.540 0.000 0.833 234 L CB 1.938 44.275 42.059 0.464 0.000 1.296 234 L HN -0.052 nan 8.230 nan 0.000 0.405 235 L N 5.513 127.136 121.223 0.666 0.000 2.385 235 L HA 0.711 5.051 4.340 -0.000 0.000 0.273 235 L C -1.834 175.368 176.870 0.554 0.000 0.990 235 L CA -0.261 54.891 54.840 0.519 0.000 0.821 235 L CB 1.778 44.062 42.059 0.375 0.000 1.279 235 L HN 0.598 nan 8.230 nan 0.000 0.412 236 L N 5.855 127.334 121.223 0.426 0.000 2.322 236 L HA 0.688 5.028 4.340 -0.000 0.000 0.281 236 L C -0.950 176.090 176.870 0.283 0.000 1.014 236 L CA -0.994 54.081 54.840 0.391 0.000 0.815 236 L CB 1.963 44.238 42.059 0.360 0.000 1.247 236 L HN 0.340 nan 8.230 nan 0.000 0.421 237 V N 1.286 121.375 119.914 0.292 0.000 2.407 237 V HA 0.370 4.490 4.120 -0.000 0.000 0.291 237 V C 0.280 176.462 176.094 0.146 0.000 1.018 237 V CA -0.576 61.842 62.300 0.198 0.000 0.842 237 V CB 1.917 33.880 31.823 0.234 0.000 0.996 237 V HN 0.873 nan 8.190 nan 0.000 0.426 238 T N 0.545 115.135 114.554 0.061 0.000 2.909 238 T HA 0.621 4.971 4.350 -0.000 0.000 0.286 238 T C -0.659 174.065 174.700 0.039 0.000 1.002 238 T CA -0.700 61.411 62.100 0.019 0.000 1.074 238 T CB 1.724 70.560 68.868 -0.054 0.000 0.984 238 T HN 0.487 nan 8.240 nan 0.000 0.495 239 D N 0.511 120.941 120.400 0.050 0.000 2.185 239 D HA 0.607 5.247 4.640 -0.000 0.000 0.247 239 D C 1.181 177.500 176.300 0.032 0.000 1.027 239 D CA -0.372 53.657 54.000 0.048 0.000 0.861 239 D CB 1.542 42.391 40.800 0.082 0.000 1.202 239 D HN 0.669 nan 8.370 nan 0.000 0.453 240 A N 2.304 125.141 122.820 0.028 0.000 1.927 240 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 240 A C 1.925 179.525 177.584 0.027 0.000 1.185 240 A CA 2.388 54.441 52.037 0.026 0.000 0.639 240 A CB -0.819 18.197 19.000 0.027 0.000 0.820 240 A HN 0.620 nan 8.150 nan 0.000 0.451 241 A N -1.985 120.853 122.820 0.031 0.000 1.848 241 A HA 0.279 4.599 4.320 -0.000 0.000 0.211 241 A C 2.128 179.730 177.584 0.031 0.000 1.225 241 A CA 2.597 54.653 52.037 0.031 0.000 0.637 241 A CB -1.018 18.004 19.000 0.035 0.000 0.867 241 A HN 1.465 nan 8.150 nan 0.000 0.463 242 G N -3.574 105.247 108.800 0.035 0.000 4.320 242 G HA2 0.227 4.187 3.960 -0.000 0.000 0.150 242 G HA3 0.227 4.187 3.960 -0.000 0.000 0.150 242 G C -2.574 172.341 174.900 0.026 0.000 0.889 242 G CA 0.192 45.309 45.100 0.028 0.000 0.877 242 G HN 0.431 nan 8.290 nan 0.000 0.425 243 P HA 0.442 nan 4.420 nan 0.000 0.269 243 P C -0.134 177.193 177.300 0.046 0.000 1.252 243 P CA 0.122 63.228 63.100 0.010 0.000 0.780 243 P CB 1.580 33.282 31.700 0.004 0.000 0.829 244 V N 5.420 125.340 119.914 0.011 0.000 2.465 244 V HA 0.168 4.288 4.120 -0.000 0.000 0.279 244 V C 0.305 176.427 176.094 0.048 0.000 1.045 244 V CA -0.307 62.034 62.300 0.069 0.000 0.938 244 V CB 0.306 32.124 31.823 -0.007 0.000 0.986 244 V HN 0.539 nan 8.190 nan 0.000 0.467 245 H N 4.181 123.276 119.070 0.042 0.000 2.463 245 H HA 0.540 5.097 4.556 0.001 0.000 0.332 245 H C -0.286 175.027 175.328 -0.025 0.000 1.127 245 H CA -0.487 55.503 56.048 -0.096 0.000 1.238 245 H CB 1.122 30.786 29.762 -0.164 0.000 1.478 245 H HN 0.783 nan 8.280 nan 0.000 0.499 246 W N 2.852 124.069 121.300 -0.137 0.000 2.761 246 W HA 0.608 5.271 4.660 0.005 0.000 0.340 246 W C -2.004 174.364 176.519 -0.252 0.000 1.072 246 W CA -1.108 56.226 57.345 -0.017 0.000 1.215 246 W CB 0.634 30.163 29.460 0.115 0.000 1.420 246 W HN 0.505 nan 8.180 nan 0.000 0.519 247 Y N 1.370 122.033 120.300 0.605 0.000 2.504 247 Y HA 0.491 5.044 4.550 0.005 0.000 0.344 247 Y C 0.545 176.886 175.900 0.735 0.000 1.023 247 Y CA -0.677 57.734 58.100 0.517 0.000 1.020 247 Y CB 2.619 41.337 38.460 0.430 0.000 1.282 247 Y HN 0.524 nan 8.280 nan 0.000 0.454 248 T N -2.433 112.556 114.554 0.725 0.000 2.831 248 T HA 0.473 4.823 4.350 -0.000 0.000 0.287 248 T C 0.481 175.140 174.700 -0.067 0.000 1.070 248 T CA -1.169 61.128 62.100 0.328 0.000 1.010 248 T CB 1.753 70.798 68.868 0.294 0.000 1.264 248 T HN 0.654 nan 8.240 nan 0.000 0.532 249 R N 0.050 120.204 120.500 -0.577 0.000 2.316 249 R HA 0.073 4.413 4.340 -0.000 0.000 0.202 249 R C 1.664 177.836 176.300 -0.214 0.000 1.029 249 R CA 1.347 57.006 56.100 -0.736 0.000 1.018 249 R CB -0.367 29.473 30.300 -0.767 0.000 0.888 249 R HN 0.887 nan 8.270 nan 0.000 0.471 250 T N -4.212 110.317 114.554 -0.042 0.000 2.975 250 T HA 0.519 4.869 4.350 -0.000 0.000 0.257 250 T C 0.444 175.198 174.700 0.089 0.000 1.003 250 T CA 0.168 62.276 62.100 0.013 0.000 0.932 250 T CB 0.868 69.727 68.868 -0.016 0.000 1.087 250 T HN 0.158 nan 8.240 nan 0.000 0.512 251 A N -0.377 122.546 122.820 0.172 0.000 2.467 251 A HA 0.870 5.190 4.320 -0.000 0.000 0.301 251 A C -0.734 176.879 177.584 0.049 0.000 1.126 251 A CA -0.433 51.689 52.037 0.142 0.000 0.632 251 A CB 0.779 19.893 19.000 0.190 0.000 1.331 251 A HN 0.915 nan 8.150 nan 0.000 0.482 252 G N -1.936 106.655 108.800 -0.348 0.000 2.698 252 G HA2 0.822 4.782 3.960 -0.000 0.000 0.293 252 G HA3 0.822 4.782 3.960 -0.000 0.000 0.293 252 G C -0.381 173.701 174.900 -1.365 0.000 1.437 252 G CA 0.348 44.881 45.100 -0.946 0.000 0.852 252 G HN 2.038 nan 8.290 nan 0.000 0.499 253 G N -0.642 106.931 108.800 -2.046 0.000 2.570 253 G HA2 0.635 4.595 3.960 -0.000 0.000 0.310 253 G HA3 0.635 4.595 3.960 -0.000 0.000 0.310 253 G C -1.693 172.651 174.900 -0.927 0.000 1.266 253 G CA -0.601 43.770 45.100 -1.215 0.000 0.825 253 G HN 0.567 nan 8.290 nan 0.000 0.483 254 E N -0.753 119.269 120.200 -0.297 0.000 2.263 254 E HA 0.636 4.986 4.350 -0.000 0.000 0.264 254 E C -0.835 175.881 176.600 0.194 0.000 0.923 254 E CA -0.776 55.526 56.400 -0.163 0.000 0.802 254 E CB 2.435 32.008 29.700 -0.212 0.000 1.228 254 E HN 0.266 nan 8.360 nan 0.000 0.417 255 V N 2.558 122.560 119.914 0.147 0.000 2.483 255 V HA 0.304 4.424 4.120 -0.000 0.000 0.295 255 V C -2.201 173.951 176.094 0.096 0.000 1.035 255 V CA -1.946 60.486 62.300 0.220 0.000 0.896 255 V CB 1.549 33.556 31.823 0.307 0.000 0.986 255 V HN 0.476 nan 8.190 nan 0.000 0.447 256 P HA 0.279 nan 4.420 nan 0.000 0.268 256 P C -0.313 176.906 177.300 -0.135 0.000 1.204 256 P CA 0.154 63.209 63.100 -0.074 0.000 0.768 256 P CB 0.427 32.071 31.700 -0.093 0.000 0.842 257 T N 1.312 115.715 114.554 -0.250 0.000 2.938 257 T HA 0.686 5.036 4.350 -0.000 0.000 0.285 257 T C -0.550 173.845 174.700 -0.509 0.000 1.028 257 T CA -0.386 61.599 62.100 -0.192 0.000 1.005 257 T CB 0.722 69.561 68.868 -0.050 0.000 1.157 257 T HN 0.070 nan 8.240 nan 0.000 0.550 258 F N 0.704 120.682 119.950 0.046 0.000 2.576 258 F HA 0.588 5.115 4.527 0.000 0.000 0.313 258 F C -0.149 175.665 175.800 0.023 0.000 1.078 258 F CA -1.339 56.678 58.000 0.028 0.000 0.921 258 F CB 1.941 40.952 39.000 0.018 0.000 1.232 258 F HN 0.435 nan 8.300 nan 0.000 0.459 259 R N 0.675 121.295 120.500 0.200 0.000 2.272 259 R HA 0.664 5.004 4.340 -0.000 0.000 0.323 259 R C -1.476 174.888 176.300 0.106 0.000 1.002 259 R CA -0.422 55.747 56.100 0.115 0.000 0.900 259 R CB 0.661 31.002 30.300 0.068 0.000 1.151 259 R HN 0.433 nan 8.270 nan 0.000 0.507 260 V N 1.761 121.726 119.914 0.085 0.000 3.078 260 V HA 0.164 4.284 4.120 -0.000 0.000 0.344 260 V C -0.362 175.750 176.094 0.030 0.000 1.409 260 V CA -0.343 61.988 62.300 0.051 0.000 1.146 260 V CB -0.903 30.940 31.823 0.032 0.000 1.126 260 V HN 0.904 nan 8.190 nan 0.000 0.513 261 Q N 0.344 120.162 119.800 0.031 0.000 3.185 261 Q HA -0.158 4.182 4.340 -0.000 0.000 0.034 261 Q C -0.912 175.095 176.000 0.012 0.000 1.683 261 Q CA 0.610 56.423 55.803 0.018 0.000 0.263 261 Q CB -0.512 28.232 28.738 0.010 0.000 0.583 261 Q HN 0.261 nan 8.270 nan 0.000 0.322 267 A N 1.633 124.469 122.820 0.025 0.000 2.488 267 A HA 0.631 4.951 4.320 -0.000 0.000 0.249 267 A C 0.820 178.402 177.584 -0.004 0.000 1.083 267 A CA 0.314 52.353 52.037 0.004 0.000 0.768 267 A CB 0.009 19.015 19.000 0.010 0.000 1.017 267 A HN 0.348 nan 8.150 nan 0.000 0.496 268 A N 2.764 125.525 122.820 -0.097 0.000 2.545 268 A HA 0.473 4.793 4.320 -0.000 0.000 0.253 268 A C 1.005 178.573 177.584 -0.027 0.000 1.074 268 A CA 0.668 52.601 52.037 -0.173 0.000 0.760 268 A CB -0.571 17.927 19.000 -0.836 0.000 1.005 268 A HN 1.606 nan 8.150 nan 0.000 0.506 269 G N 0.766 109.656 108.800 0.150 0.000 3.175 269 G HA2 0.416 4.376 3.960 -0.000 0.000 0.153 269 G HA3 0.416 4.376 3.960 -0.000 0.000 0.153 269 G C 0.229 175.267 174.900 0.230 0.000 1.216 269 G CA 0.153 45.379 45.100 0.210 0.000 0.943 269 G HN 0.491 nan 8.290 nan 0.000 0.611 270 D N 0.304 120.833 120.400 0.216 0.000 2.178 270 D HA -0.071 4.569 4.640 -0.000 0.000 0.201 270 D C 2.559 178.780 176.300 -0.133 0.000 0.980 270 D CA 1.317 55.329 54.000 0.020 0.000 0.842 270 D CB -0.270 40.498 40.800 -0.053 0.000 0.948 270 D HN 0.296 nan 8.370 nan 0.000 0.472 271 A N 0.602 123.313 122.820 -0.181 0.000 1.898 271 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 271 A C 2.079 179.645 177.584 -0.030 0.000 1.181 271 A CA 0.780 52.698 52.037 -0.199 0.000 0.620 271 A CB -0.998 17.939 19.000 -0.105 0.000 0.819 271 A HN 0.237 nan 8.150 nan 0.000 0.442 272 F N 0.831 120.759 119.950 -0.036 0.000 2.095 272 F HA -0.203 4.324 4.527 -0.000 0.000 0.298 272 F C 2.185 177.960 175.800 -0.042 0.000 1.104 272 F CA 2.157 60.153 58.000 -0.008 0.000 1.232 272 F CB -0.220 38.809 39.000 0.049 0.000 0.987 272 F HN 0.039 nan 8.300 nan 0.000 0.475 273 V N 0.497 120.516 119.914 0.174 0.000 2.343 273 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 273 V C 2.763 178.741 176.094 -0.192 0.000 1.051 273 V CA 1.956 64.254 62.300 -0.003 0.000 1.036 273 V CB -1.661 30.143 31.823 -0.032 0.000 0.654 273 V HN 0.572 nan 8.190 nan 0.000 0.451 274 G N -0.126 108.567 108.800 -0.179 0.000 2.418 274 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.217 274 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.217 274 G C 0.968 175.794 174.900 -0.123 0.000 1.158 274 G CA 0.787 45.785 45.100 -0.171 0.000 0.771 274 G HN 0.672 nan 8.290 nan 0.000 0.545 278 Y N 2.138 122.258 120.300 -0.301 0.000 2.128 278 Y HA -0.243 4.306 4.550 -0.000 0.000 0.284 278 Y C 2.337 178.038 175.900 -0.331 0.000 1.154 278 Y CA 2.768 60.726 58.100 -0.237 0.000 1.149 278 Y CB -0.370 37.999 38.460 -0.152 0.000 0.976 278 Y HN 0.058 nan 8.280 nan 0.000 0.505 279 T N 1.134 115.365 114.554 -0.538 0.000 2.777 279 T HA -0.145 4.205 4.350 -0.000 0.000 0.266 279 T C 1.593 175.911 174.700 -0.637 0.000 1.040 279 T CA 1.385 63.068 62.100 -0.695 0.000 1.141 279 T CB -0.548 67.963 68.868 -0.595 0.000 0.868 279 T HN 0.235 nan 8.240 nan 0.000 0.444 280 F N 1.993 121.462 119.950 -0.802 0.000 2.095 280 F HA -0.016 4.510 4.527 -0.001 0.000 0.298 280 F C 2.783 177.994 175.800 -0.981 0.000 1.104 280 F CA 0.395 57.634 58.000 -1.269 0.000 1.232 280 F CB -1.536 36.983 39.000 -0.802 0.000 0.987 280 F HN 0.175 nan 8.300 nan 0.000 0.475 281 A N -0.567 122.034 122.820 -0.364 0.000 1.972 281 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 281 A C 2.182 179.570 177.584 -0.327 0.000 1.169 281 A CA 1.260 53.138 52.037 -0.265 0.000 0.635 281 A CB -0.509 18.367 19.000 -0.206 0.000 0.810 281 A HN 0.332 nan 8.150 nan 0.000 0.446 282 Q N -0.410 119.088 119.800 -0.504 0.000 2.083 282 Q HA -0.131 4.209 4.340 -0.000 0.000 0.198 282 Q C 2.057 177.877 176.000 -0.300 0.000 0.969 282 Q CA 1.652 57.191 55.803 -0.442 0.000 0.838 282 Q CB -0.293 28.067 28.738 -0.629 0.000 0.900 282 Q HN 0.852 nan 8.270 nan 0.000 0.436 283 Q N -0.822 118.763 119.800 -0.359 0.000 2.302 283 Q HA 0.053 4.393 4.340 -0.000 0.000 0.202 283 Q C -0.223 175.796 176.000 0.032 0.000 0.936 283 Q CA 0.051 55.736 55.803 -0.197 0.000 0.886 283 Q CB 0.348 28.950 28.738 -0.227 0.000 0.986 283 Q HN 0.129 nan 8.270 nan 0.000 0.487 284 F N 1.679 121.546 119.950 -0.137 0.000 2.410 284 F HA 0.102 4.628 4.527 -0.000 0.000 0.348 284 F C 1.053 176.796 175.800 -0.096 0.000 1.106 284 F CA -1.339 56.584 58.000 -0.129 0.000 1.163 284 F CB 0.625 39.521 39.000 -0.172 0.000 1.129 284 F HN -0.090 nan 8.300 nan 0.000 0.516 285 D N 0.779 121.244 120.400 0.109 0.000 2.194 285 D HA -0.036 4.604 4.640 -0.000 0.000 0.204 285 D C 0.279 176.596 176.300 0.028 0.000 0.964 285 D CA 1.387 55.410 54.000 0.038 0.000 0.846 285 D CB 0.099 40.904 40.800 0.009 0.000 0.962 285 D HN 0.656 nan 8.370 nan 0.000 0.490 286 D N -2.314 118.095 120.400 0.016 0.000 2.768 286 D HA 0.404 5.044 4.640 -0.000 0.000 0.327 286 D C 0.544 176.814 176.300 -0.049 0.000 1.302 286 D CA -0.442 53.555 54.000 -0.006 0.000 0.897 286 D CB 0.527 41.310 40.800 -0.028 0.000 1.420 286 D HN -0.144 nan 8.370 nan 0.000 0.494 287 A N -0.001 122.791 122.820 -0.046 0.000 1.940 287 A HA 0.136 4.455 4.320 -0.000 0.000 0.219 287 A C 2.122 179.596 177.584 -0.182 0.000 1.176 287 A CA 2.588 54.576 52.037 -0.081 0.000 0.631 287 A CB -1.381 17.599 19.000 -0.034 0.000 0.814 287 A HN 0.810 nan 8.150 nan 0.000 0.446 288 A N -0.199 122.526 122.820 -0.158 0.000 2.019 288 A HA 0.163 4.482 4.320 -0.000 0.000 0.219 288 A C 2.355 179.765 177.584 -0.290 0.000 1.164 288 A CA 1.784 53.712 52.037 -0.182 0.000 0.644 288 A CB -0.829 18.098 19.000 -0.122 0.000 0.805 288 A HN 1.110 nan 8.150 nan 0.000 0.449 289 A N -0.528 122.062 122.820 -0.384 0.000 2.070 289 A HA -0.020 4.300 4.320 -0.000 0.000 0.220 289 A C 1.997 179.018 177.584 -0.939 0.000 1.159 289 A CA 1.529 53.222 52.037 -0.574 0.000 0.656 289 A CB -0.502 18.160 19.000 -0.565 0.000 0.800 289 A HN 0.694 nan 8.150 nan 0.000 0.453 290 L N -0.249 120.394 121.223 -0.968 0.000 2.131 290 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 290 L C 2.010 178.633 176.870 -0.412 0.000 1.092 290 L CA 1.542 55.883 54.840 -0.833 0.000 0.759 290 L CB -0.329 41.428 42.059 -0.504 0.000 0.903 290 L HN 0.328 nan 8.230 nan 0.000 0.435 291 I N -0.113 120.227 120.570 -0.384 0.000 2.179 291 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 291 I C 2.164 177.932 176.117 -0.583 0.000 1.088 291 I CA 1.363 62.405 61.300 -0.430 0.000 1.357 291 I CB -1.529 36.269 38.000 -0.337 0.000 1.051 291 I HN 0.341 nan 8.210 nan 0.000 0.409 292 D N 0.386 120.563 120.400 -0.371 0.000 2.117 292 D HA -0.224 4.416 4.640 -0.000 0.000 0.197 292 D C 2.119 178.332 176.300 -0.145 0.000 0.987 292 D CA 1.071 54.936 54.000 -0.226 0.000 0.829 292 D CB -0.451 40.274 40.800 -0.126 0.000 0.961 292 D HN 0.289 nan 8.370 nan 0.000 0.460 293 F N 1.761 121.528 119.950 -0.304 0.000 2.095 293 F HA -0.236 4.291 4.527 -0.000 0.000 0.298 293 F C 2.268 177.975 175.800 -0.155 0.000 1.104 293 F CA 1.183 59.075 58.000 -0.180 0.000 1.232 293 F CB -0.371 38.518 39.000 -0.186 0.000 0.987 293 F HN -0.048 nan 8.300 nan 0.000 0.475 294 C N -0.204 119.005 119.300 -0.152 0.000 2.437 294 C HA -0.136 4.324 4.460 -0.000 0.000 0.283 294 C C 2.206 177.153 174.990 -0.072 0.000 1.424 294 C CA 1.094 60.012 59.018 -0.167 0.000 1.782 294 C CB -2.243 25.455 27.740 -0.069 0.000 1.833 294 C HN 0.517 nan 8.230 nan 0.000 0.532 295 H N -1.263 117.726 119.070 -0.135 0.000 2.551 295 H HA 0.070 4.626 4.556 -0.001 0.000 0.271 295 H C -0.112 175.149 175.328 -0.113 0.000 0.984 295 H CA 0.077 56.068 56.048 -0.095 0.000 1.164 295 H CB 0.209 29.929 29.762 -0.070 0.000 1.437 295 H HN 0.290 nan 8.280 nan 0.000 0.550 296 D N 0.242 120.581 120.400 -0.102 0.000 2.404 296 D HA 0.136 4.776 4.640 -0.000 0.000 0.267 296 D C -2.004 174.136 176.300 -0.267 0.000 1.194 296 D CA -2.583 51.335 54.000 -0.138 0.000 0.910 296 D CB 1.231 41.966 40.800 -0.110 0.000 1.090 296 D HN -0.060 nan 8.370 nan 0.000 0.511 297 P HA -0.183 nan 4.420 nan 0.000 0.217 297 P C 1.107 178.303 177.300 -0.174 0.000 1.148 297 P CA 0.966 63.953 63.100 -0.188 0.000 0.834 297 P CB 0.385 32.157 31.700 0.120 0.000 0.783 298 E N -0.709 119.433 120.200 -0.097 0.000 2.077 298 E HA -0.144 4.205 4.350 -0.000 0.000 0.193 298 E C 1.761 178.315 176.600 -0.078 0.000 0.989 298 E CA 1.480 57.849 56.400 -0.052 0.000 0.800 298 E CB -0.296 29.394 29.700 -0.016 0.000 0.746 298 E HN 0.109 nan 8.360 nan 0.000 0.452 299 S N 0.328 115.948 115.700 -0.134 0.000 2.387 299 S HA -0.064 4.406 4.470 -0.000 0.000 0.226 299 S C 1.935 176.445 174.600 -0.150 0.000 1.026 299 S CA 0.835 58.995 58.200 -0.067 0.000 0.972 299 S CB -0.173 63.023 63.200 -0.007 0.000 0.814 299 S HN 0.284 nan 8.310 nan 0.000 0.477 300 I N 1.256 121.470 120.570 -0.593 0.000 2.127 300 I HA -0.177 3.993 4.170 -0.000 0.000 0.241 300 I C 2.200 178.151 176.117 -0.276 0.000 1.075 300 I CA 1.071 61.964 61.300 -0.679 0.000 1.334 300 I CB -0.573 36.703 38.000 -1.206 0.000 1.040 300 I HN 0.145 nan 8.210 nan 0.000 0.405 301 V N 0.016 119.789 119.914 -0.235 0.000 2.343 301 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 301 V C 2.626 178.754 176.094 0.057 0.000 1.051 301 V CA 2.238 64.519 62.300 -0.031 0.000 1.036 301 V CB -0.606 31.242 31.823 0.042 0.000 0.654 301 V HN 0.490 nan 8.190 nan 0.000 0.451 302 S N -0.557 115.178 115.700 0.058 0.000 2.356 302 S HA -0.230 4.239 4.470 -0.000 0.000 0.223 302 S C 2.093 176.785 174.600 0.154 0.000 1.032 302 S CA 2.447 60.712 58.200 0.108 0.000 1.005 302 S CB -0.390 62.865 63.200 0.092 0.000 0.867 302 S HN 0.664 nan 8.310 nan 0.000 0.449 303 T N 2.577 117.240 114.554 0.183 0.000 2.777 303 T HA 0.109 4.459 4.350 -0.000 0.000 0.266 303 T C 1.697 176.490 174.700 0.156 0.000 1.040 303 T CA 1.307 63.517 62.100 0.183 0.000 1.141 303 T CB -0.308 68.755 68.868 0.324 0.000 0.868 303 T HN 0.335 nan 8.240 nan 0.000 0.444 304 L N 0.686 122.009 121.223 0.167 0.000 2.291 304 L HA 0.047 4.387 4.340 -0.000 0.000 0.214 304 L C 2.753 179.738 176.870 0.191 0.000 1.120 304 L CA 0.856 55.787 54.840 0.150 0.000 0.799 304 L CB -0.496 41.709 42.059 0.242 0.000 0.925 304 L HN 0.178 nan 8.230 nan 0.000 0.446 305 R N 0.330 120.961 120.500 0.218 0.000 2.075 305 R HA -0.221 4.119 4.340 -0.000 0.000 0.232 305 R C 2.371 178.867 176.300 0.327 0.000 1.126 305 R CA 1.548 57.821 56.100 0.287 0.000 0.963 305 R CB -0.359 30.093 30.300 0.253 0.000 0.858 305 R HN 0.226 nan 8.270 nan 0.000 0.435 306 F N 1.197 121.198 119.950 0.084 0.000 2.102 306 F HA -0.132 4.394 4.527 -0.001 0.000 0.298 306 F C 2.214 177.954 175.800 -0.101 0.000 1.105 306 F CA 1.760 59.756 58.000 -0.007 0.000 1.239 306 F CB -0.470 38.510 39.000 -0.034 0.000 0.991 306 F HN 0.138 nan 8.300 nan 0.000 0.474 307 A N 0.456 123.269 122.820 -0.012 0.000 1.908 307 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 307 A C 2.381 179.767 177.584 -0.329 0.000 1.181 307 A CA 1.974 53.741 52.037 -0.450 0.000 0.627 307 A CB -1.619 16.705 19.000 -1.127 0.000 0.818 307 A HN 0.539 nan 8.150 nan 0.000 0.445 308 A N -0.325 122.537 122.820 0.070 0.000 1.933 308 A HA 0.187 4.507 4.320 -0.000 0.000 0.218 308 A C 2.480 180.220 177.584 0.260 0.000 1.175 308 A CA 1.981 54.285 52.037 0.444 0.000 0.628 308 A CB -0.923 18.405 19.000 0.548 0.000 0.814 308 A HN 1.061 nan 8.150 nan 0.000 0.444 309 A N -0.511 122.289 122.820 -0.033 0.000 1.902 309 A HA 0.017 4.337 4.320 -0.000 0.000 0.217 309 A C 2.214 179.553 177.584 -0.410 0.000 1.181 309 A CA 1.731 53.426 52.037 -0.570 0.000 0.623 309 A CB -0.869 17.620 19.000 -0.852 0.000 0.818 309 A HN 0.372 nan 8.150 nan 0.000 0.443 310 V N -0.055 119.614 119.914 -0.408 0.000 2.295 310 V HA -0.183 3.937 4.120 -0.000 0.000 0.246 310 V C 2.827 178.853 176.094 -0.114 0.000 1.049 310 V CA 1.993 64.099 62.300 -0.324 0.000 1.024 310 V CB -1.481 30.135 31.823 -0.345 0.000 0.648 310 V HN 0.602 nan 8.190 nan 0.000 0.447 311 G N -0.484 108.325 108.800 0.016 0.000 2.422 311 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.218 311 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.218 311 G C 1.710 176.684 174.900 0.122 0.000 1.146 311 G CA 1.000 46.194 45.100 0.157 0.000 0.769 311 G HN 0.617 nan 8.290 nan 0.000 0.547 312 A N 0.159 123.024 122.820 0.076 0.000 1.968 312 A HA 0.245 4.565 4.320 -0.000 0.000 0.217 312 A C 2.318 179.901 177.584 -0.001 0.000 1.169 312 A CA 0.875 52.947 52.037 0.059 0.000 0.638 312 A CB -0.210 18.840 19.000 0.083 0.000 0.812 312 A HN 0.359 nan 8.150 nan 0.000 0.446 313 L N -0.760 120.427 121.223 -0.060 0.000 2.375 313 L HA 0.161 4.501 4.340 -0.000 0.000 0.215 313 L C 1.525 178.387 176.870 -0.014 0.000 1.108 313 L CA 0.065 54.864 54.840 -0.069 0.000 0.830 313 L CB -0.354 41.620 42.059 -0.141 0.000 0.959 313 L HN 0.354 nan 8.230 nan 0.000 0.457 314 A N 0.560 123.404 122.820 0.039 0.000 2.511 314 A HA 0.338 4.658 4.320 -0.000 0.000 0.242 314 A C -0.154 177.506 177.584 0.126 0.000 1.069 314 A CA 0.016 52.136 52.037 0.137 0.000 0.763 314 A CB 0.171 19.355 19.000 0.307 0.000 1.001 314 A HN -0.016 nan 8.150 nan 0.000 0.498 315 V N 2.978 122.961 119.914 0.115 0.000 2.435 315 V HA 0.601 4.721 4.120 -0.000 0.000 0.290 315 V C 0.562 176.637 176.094 -0.032 0.000 1.030 315 V CA 0.113 62.431 62.300 0.029 0.000 0.881 315 V CB 1.498 33.330 31.823 0.014 0.000 0.983 315 V HN 1.130 nan 8.190 nan 0.000 0.445 316 T N 2.406 116.879 114.554 -0.136 0.000 2.908 316 T HA 0.698 5.048 4.350 -0.000 0.000 0.290 316 T C -0.590 174.022 174.700 -0.146 0.000 1.034 316 T CA -0.949 60.999 62.100 -0.253 0.000 1.010 316 T CB 2.304 70.911 68.868 -0.435 0.000 1.068 316 T HN 0.527 nan 8.240 nan 0.000 0.481 317 R N 1.383 121.803 120.500 -0.133 0.000 2.507 317 R HA 0.229 4.569 4.340 -0.000 0.000 0.298 317 R C -0.596 175.653 176.300 -0.085 0.000 1.087 317 R CA -0.304 55.743 56.100 -0.088 0.000 0.917 317 R CB 0.788 31.051 30.300 -0.061 0.000 1.173 317 R HN 0.998 nan 8.270 nan 0.000 0.472 318 Q N 1.260 121.011 119.800 -0.082 0.000 2.451 318 Q HA -0.241 4.099 4.340 -0.000 0.000 0.305 318 Q C 0.383 176.357 176.000 -0.043 0.000 1.345 318 Q CA 1.074 56.834 55.803 -0.070 0.000 0.854 318 Q CB -1.225 27.468 28.738 -0.075 0.000 1.162 318 Q HN 1.171 nan 8.270 nan 0.000 0.440 319 G N -0.667 108.086 108.800 -0.080 0.000 2.782 319 G HA2 0.163 4.123 3.960 -0.000 0.000 0.228 319 G HA3 0.163 4.123 3.960 -0.000 0.000 0.228 319 G C -0.076 174.736 174.900 -0.146 0.000 1.372 319 G CA 0.165 45.208 45.100 -0.096 0.000 0.862 319 G HN 1.903 nan 8.290 nan 0.000 0.547 320 A N -2.027 120.707 122.820 -0.144 0.000 2.416 320 A HA 0.225 4.545 4.320 -0.000 0.000 0.679 320 A C 0.047 177.532 177.584 -0.166 0.000 0.152 320 A CA 1.076 53.079 52.037 -0.056 0.000 0.074 320 A CB -1.448 17.551 19.000 -0.001 0.000 3.935 320 A HN 2.122 nan 8.150 nan 0.000 0.542 321 F N 2.064 122.015 119.950 0.001 0.000 2.427 321 F HA 0.435 4.962 4.527 -0.001 0.000 0.352 321 F C 1.930 177.719 175.800 -0.018 0.000 1.100 321 F CA 0.847 58.841 58.000 -0.010 0.000 1.191 321 F CB 1.523 40.513 39.000 -0.016 0.000 1.128 321 F HN 0.789 nan 8.300 nan 0.000 0.533 322 T N -0.424 114.196 114.554 0.110 0.000 3.022 322 T HA 0.679 5.029 4.350 -0.000 0.000 0.250 322 T C 0.332 175.067 174.700 0.059 0.000 1.060 322 T CA 0.327 62.464 62.100 0.062 0.000 1.013 322 T CB 0.159 69.038 68.868 0.018 0.000 0.982 322 T HN 0.679 nan 8.240 nan 0.000 0.508 328 S N -0.029 115.647 115.700 -0.040 0.000 2.370 328 S HA -0.206 4.264 4.470 -0.000 0.000 0.226 328 S C 1.506 176.071 174.600 -0.059 0.000 1.033 328 S CA 1.708 59.888 58.200 -0.033 0.000 1.011 328 S CB -0.690 62.493 63.200 -0.029 0.000 0.852 328 S HN 0.656 nan 8.310 nan 0.000 0.457 329 E N 0.823 120.971 120.200 -0.086 0.000 2.106 329 E HA -0.041 4.309 4.350 -0.000 0.000 0.192 329 E C 2.197 178.698 176.600 -0.164 0.000 0.984 329 E CA 1.166 57.500 56.400 -0.110 0.000 0.806 329 E CB -0.348 29.286 29.700 -0.110 0.000 0.750 329 E HN 0.426 nan 8.360 nan 0.000 0.458 330 V N 1.598 121.384 119.914 -0.214 0.000 2.307 330 V HA -0.233 3.887 4.120 -0.000 0.000 0.245 330 V C 2.309 178.244 176.094 -0.265 0.000 1.045 330 V CA 1.403 63.494 62.300 -0.349 0.000 1.024 330 V CB -0.427 31.058 31.823 -0.564 0.000 0.651 330 V HN 0.258 nan 8.190 nan 0.000 0.449 331 L N -0.185 120.973 121.223 -0.109 0.000 2.083 331 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 331 L C 2.604 179.450 176.870 -0.041 0.000 1.083 331 L CA 1.484 56.315 54.840 -0.014 0.000 0.752 331 L CB -0.626 41.468 42.059 0.058 0.000 0.899 331 L HN 0.307 nan 8.230 nan 0.000 0.433 332 S N 0.135 115.798 115.700 -0.063 0.000 2.368 332 S HA -0.161 4.309 4.470 -0.000 0.000 0.224 332 S C 1.835 176.393 174.600 -0.070 0.000 1.029 332 S CA 1.170 59.339 58.200 -0.051 0.000 0.988 332 S CB -0.285 62.885 63.200 -0.051 0.000 0.838 332 S HN 0.271 nan 8.310 nan 0.000 0.462 333 L N 2.070 123.209 121.223 -0.140 0.000 2.017 333 L HA 0.012 4.351 4.340 -0.000 0.000 0.208 333 L C 1.871 178.653 176.870 -0.146 0.000 1.073 333 L CA 1.631 56.358 54.840 -0.188 0.000 0.745 333 L CB -0.611 41.231 42.059 -0.362 0.000 0.894 333 L HN 0.281 nan 8.230 nan 0.000 0.432 334 I N -0.766 119.707 120.570 -0.161 0.000 2.226 334 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 334 I C 2.533 178.705 176.117 0.092 0.000 1.100 334 I CA 1.350 62.665 61.300 0.025 0.000 1.374 334 I CB -0.358 37.671 38.000 0.048 0.000 1.057 334 I HN 0.405 nan 8.210 nan 0.000 0.413 335 Q N 1.171 120.997 119.800 0.042 0.000 2.050 335 Q HA -0.215 4.125 4.340 -0.000 0.000 0.202 335 Q C 2.052 178.082 176.000 0.050 0.000 0.980 335 Q CA 1.710 57.542 55.803 0.048 0.000 0.840 335 Q CB -0.063 28.692 28.738 0.028 0.000 0.898 335 Q HN 0.333 nan 8.270 nan 0.000 0.424 336 E N 0.439 120.661 120.200 0.037 0.000 2.017 336 E HA -0.183 4.166 4.350 -0.000 0.000 0.193 336 E C 1.026 177.669 176.600 0.070 0.000 0.997 336 E CA 1.037 57.462 56.400 0.040 0.000 0.804 336 E CB -0.455 29.258 29.700 0.021 0.000 0.757 336 E HN 0.432 nan 8.360 nan 0.000 0.448 337 Q N 1.012 120.880 119.800 0.114 0.000 2.516 337 Q HA 0.052 4.392 4.340 -0.000 0.000 0.245 337 Q C -0.593 175.500 176.000 0.156 0.000 0.958 337 Q CA -0.170 55.735 55.803 0.170 0.000 0.959 337 Q CB -0.174 28.771 28.738 0.345 0.000 1.403 337 Q HN 0.026 nan 8.270 nan 0.000 0.405 338 S N 0.000 115.760 115.700 0.100 0.000 2.498 338 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 338 S CA 0.000 58.248 58.200 0.079 0.000 1.107 338 S CB 0.000 63.255 63.200 0.092 0.000 0.593 338 S HN 0.000 nan 8.310 nan 0.000 0.517