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 1jqj_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKFTVEREHL LKPLQQVSGP LGGRPTLPIL GNLLLQVADG TLSLTGTDLE DATA SEQUENCE MEMVARVALV QPHEPGATTV PARKFFDICR GLPEGAEIAV QLEGERMLVR DATA SEQUENCE SGRSRFSLST LPAADFPNLD DWQSEVEFTL PQATMKRLIE ATQFSMAHQD DATA SEQUENCE VRYYLNGMLF ETEGEELRTV ATDGHRLAVC SMPIGQSLPS HSVIVPRKGV DATA SEQUENCE IELMRMLDGG DNPLRVQIGS NNIRAHVGDF IFTSKLVDGR FPDYRRVLPK DATA SEQUENCE NPDKHLEAGC DLLKQAFARA AAASNEKFRG VRLYVSENQL KITANNPEQE DATA SEQUENCE EAEEILDVTY SGAEMEIGFN VSYVLDVLNA LKCENVRMML TDSVSSVQIE DATA SEQUENCE DAASQSAAYV VMPMRL 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.354 176.300 0.089 0.000 1.140 1 M CA 0.000 55.347 55.300 0.079 0.000 0.988 1 M CB 0.000 32.662 32.600 0.103 0.000 1.302 2 K N 0.407 120.891 120.400 0.140 0.000 2.622 2 K HA 0.707 5.027 4.320 -0.000 0.000 0.263 2 K C -2.179 174.555 176.600 0.224 0.000 0.947 2 K CA -0.753 55.596 56.287 0.103 0.000 0.885 2 K CB 1.630 34.150 32.500 0.033 0.000 1.362 2 K HN 1.127 nan 8.250 nan 0.000 0.413 3 F N -1.637 118.353 119.950 0.066 0.000 2.713 3 F HA 0.756 5.283 4.527 -0.000 0.000 0.311 3 F C -1.865 173.978 175.800 0.071 0.000 1.141 3 F CA -0.600 57.450 58.000 0.083 0.000 0.939 3 F CB 2.117 41.168 39.000 0.085 0.000 1.325 3 F HN 0.467 nan 8.300 nan 0.000 0.453 4 T N 2.109 116.794 114.554 0.218 0.000 3.032 4 T HA 0.709 5.059 4.350 -0.000 0.000 0.312 4 T C -1.392 173.427 174.700 0.197 0.000 1.078 4 T CA -0.587 61.560 62.100 0.079 0.000 1.028 4 T CB 1.693 70.565 68.868 0.005 0.000 1.091 4 T HN 1.310 nan 8.240 nan 0.000 0.457 5 V N -0.500 119.513 119.914 0.165 0.000 3.225 5 V HA 0.606 4.726 4.120 -0.000 0.000 0.293 5 V C -0.067 176.033 176.094 0.010 0.000 1.405 5 V CA -1.359 61.000 62.300 0.098 0.000 1.038 5 V CB 1.647 33.568 31.823 0.163 0.000 1.123 5 V HN 0.770 nan 8.190 nan 0.000 0.447 6 E N 0.696 120.817 120.200 -0.132 0.000 2.521 6 E HA -0.053 4.297 4.350 -0.000 0.000 0.265 6 E C 0.578 177.140 176.600 -0.063 0.000 1.291 6 E CA 0.458 56.763 56.400 -0.159 0.000 1.092 6 E CB 0.381 29.862 29.700 -0.364 0.000 0.992 6 E HN 0.736 nan 8.360 nan 0.000 0.492 7 R N 0.503 120.976 120.500 -0.044 0.000 2.359 7 R HA -0.019 4.321 4.340 -0.000 0.000 0.231 7 R C 0.725 177.047 176.300 0.036 0.000 0.913 7 R CA 0.216 56.314 56.100 -0.003 0.000 1.075 7 R CB 0.324 30.610 30.300 -0.023 0.000 1.087 7 R HN 0.286 nan 8.270 nan 0.000 0.515 8 E N -0.370 119.857 120.200 0.045 0.000 2.152 8 E HA -0.009 4.341 4.350 -0.000 0.000 0.195 8 E C 1.032 177.782 176.600 0.250 0.000 0.934 8 E CA 0.876 57.361 56.400 0.142 0.000 0.869 8 E CB -0.359 29.445 29.700 0.173 0.000 0.842 8 E HN 0.571 nan 8.360 nan 0.000 0.472 9 H N 0.085 119.191 119.070 0.060 0.000 2.568 9 H HA 0.036 4.592 4.556 -0.000 0.000 0.275 9 H C 1.459 176.826 175.328 0.066 0.000 1.028 9 H CA -0.024 56.055 56.048 0.052 0.000 1.173 9 H CB 0.529 30.314 29.762 0.039 0.000 1.335 9 H HN -0.032 nan 8.280 nan 0.000 0.614 10 L N -0.571 120.775 121.223 0.206 0.000 2.588 10 L HA 0.104 4.444 4.340 -0.000 0.000 0.194 10 L C 1.955 178.951 176.870 0.209 0.000 1.070 10 L CA 0.524 55.481 54.840 0.194 0.000 0.852 10 L CB -0.177 42.006 42.059 0.206 0.000 1.199 10 L HN 0.149 nan 8.230 nan 0.000 0.486 11 L N -0.198 121.141 121.223 0.192 0.000 2.012 11 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 11 L C 2.432 179.461 176.870 0.265 0.000 1.073 11 L CA 1.454 56.447 54.840 0.255 0.000 0.748 11 L CB -0.280 41.884 42.059 0.175 0.000 0.891 11 L HN 0.206 nan 8.230 nan 0.000 0.431 12 K N -0.072 120.444 120.400 0.193 0.000 1.991 12 K HA -0.149 4.171 4.320 -0.000 0.000 0.212 12 K C 0.052 176.750 176.600 0.163 0.000 1.049 12 K CA 1.870 58.256 56.287 0.166 0.000 0.932 12 K CB -1.850 30.738 32.500 0.146 0.000 0.717 12 K HN 0.330 nan 8.250 nan 0.000 0.441 13 P HA -0.137 nan 4.420 nan 0.000 0.214 13 P C 1.488 178.855 177.300 0.111 0.000 1.163 13 P CA 0.810 63.976 63.100 0.111 0.000 0.883 13 P CB 0.008 31.734 31.700 0.044 0.000 0.788 14 L N -0.784 120.535 121.223 0.160 0.000 2.450 14 L HA -0.141 4.198 4.340 -0.000 0.000 0.224 14 L C 2.185 179.076 176.870 0.035 0.000 1.149 14 L CA 1.703 56.656 54.840 0.188 0.000 0.816 14 L CB -0.872 41.428 42.059 0.402 0.000 0.932 14 L HN -0.022 nan 8.230 nan 0.000 0.449 15 Q N -1.680 118.123 119.800 0.004 0.000 2.259 15 Q HA -0.167 4.172 4.340 -0.000 0.000 0.201 15 Q C 2.085 178.004 176.000 -0.135 0.000 0.938 15 Q CA 0.802 56.473 55.803 -0.219 0.000 0.872 15 Q CB 0.208 28.920 28.738 -0.042 0.000 0.971 15 Q HN 0.564 nan 8.270 nan 0.000 0.494 16 Q N -0.321 119.477 119.800 -0.003 0.000 2.123 16 Q HA -0.061 4.279 4.340 -0.000 0.000 0.199 16 Q C 1.744 177.759 176.000 0.024 0.000 0.966 16 Q CA 1.229 57.047 55.803 0.026 0.000 0.845 16 Q CB 0.129 28.961 28.738 0.157 0.000 0.907 16 Q HN 0.213 nan 8.270 nan 0.000 0.439 17 V N 0.390 120.326 119.914 0.037 0.000 2.667 17 V HA -0.134 3.986 4.120 -0.000 0.000 0.252 17 V C 1.738 177.834 176.094 0.003 0.000 1.065 17 V CA 1.780 64.102 62.300 0.036 0.000 1.083 17 V CB -0.141 31.698 31.823 0.027 0.000 0.692 17 V HN 0.572 nan 8.190 nan 0.000 0.468 18 S N -1.055 114.613 115.700 -0.053 0.000 2.559 18 S HA 0.221 4.691 4.470 -0.000 0.000 0.226 18 S C 1.799 176.331 174.600 -0.113 0.000 1.000 18 S CA 0.362 58.520 58.200 -0.071 0.000 0.948 18 S CB 0.632 63.778 63.200 -0.090 0.000 0.870 18 S HN 0.429 nan 8.310 nan 0.000 0.497 19 G N 4.098 112.825 108.800 -0.122 0.000 2.587 19 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.217 19 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.217 19 G C -0.003 174.849 174.900 -0.081 0.000 1.240 19 G CA 1.349 46.376 45.100 -0.123 0.000 0.794 19 G HN 0.579 nan 8.290 nan 0.000 0.580 20 P HA -0.006 nan 4.420 nan 0.000 0.215 20 P C 1.121 178.407 177.300 -0.023 0.000 1.153 20 P CA 0.960 64.035 63.100 -0.042 0.000 0.853 20 P CB -0.362 31.312 31.700 -0.043 0.000 0.788 21 L N -2.242 118.972 121.223 -0.015 0.000 2.475 21 L HA 0.716 5.056 4.340 -0.000 0.000 0.250 21 L C 0.477 177.342 176.870 -0.009 0.000 1.224 21 L CA -0.009 54.830 54.840 -0.002 0.000 0.821 21 L CB -1.015 41.053 42.059 0.015 0.000 1.141 21 L HN 0.237 nan 8.230 nan 0.000 0.494 22 G N -1.280 107.523 108.800 0.006 0.000 3.084 22 G HA2 0.558 4.518 3.960 -0.000 0.000 0.543 22 G HA3 0.558 4.518 3.960 -0.000 0.000 0.543 22 G C -0.479 174.431 174.900 0.017 0.000 1.239 22 G CA -0.201 44.905 45.100 0.011 0.000 1.190 22 G HN 1.695 nan 8.290 nan 0.000 0.549 23 G N 0.760 109.574 108.800 0.024 0.000 2.566 23 G HA2 0.535 4.494 3.960 -0.000 0.000 0.138 23 G HA3 0.535 4.494 3.960 -0.000 0.000 0.138 23 G C -0.332 174.584 174.900 0.026 0.000 1.133 23 G CA 0.073 45.187 45.100 0.023 0.000 1.037 23 G HN 1.014 nan 8.290 nan 0.000 0.491 24 R N 1.688 122.200 120.500 0.021 0.000 3.463 24 R HA 0.435 4.775 4.340 -0.000 0.000 0.303 24 R C -1.991 174.319 176.300 0.018 0.000 1.370 24 R CA -1.065 55.048 56.100 0.021 0.000 1.524 24 R CB -0.326 29.985 30.300 0.019 0.000 1.389 24 R HN 0.287 nan 8.270 nan 0.000 0.640 25 P HA -0.090 nan 4.420 nan 0.000 0.272 25 P C 0.518 177.824 177.300 0.011 0.000 1.210 25 P CA 0.150 63.259 63.100 0.015 0.000 0.789 25 P CB 0.742 32.455 31.700 0.023 0.000 0.849 26 T N 0.459 115.015 114.554 0.004 0.000 2.845 26 T HA -0.006 4.344 4.350 -0.000 0.000 0.224 26 T C 0.837 175.541 174.700 0.006 0.000 1.102 26 T CA 0.436 62.537 62.100 0.001 0.000 1.937 26 T CB -0.921 67.942 68.868 -0.008 0.000 1.225 26 T HN 0.307 nan 8.240 nan 0.000 0.383 27 L N 2.234 123.458 121.223 0.002 0.000 2.452 27 L HA 0.253 4.593 4.340 -0.000 0.000 0.267 27 L C -1.333 175.548 176.870 0.019 0.000 1.188 27 L CA -1.721 53.123 54.840 0.007 0.000 0.821 27 L CB -0.518 41.541 42.059 -0.000 0.000 1.102 27 L HN 0.170 nan 8.230 nan 0.000 0.470 28 P HA -0.179 nan 4.420 nan 0.000 0.225 28 P C 1.455 178.789 177.300 0.057 0.000 1.148 28 P CA 0.990 64.114 63.100 0.041 0.000 0.779 28 P CB 0.300 32.024 31.700 0.040 0.000 0.780 29 I N -0.458 120.145 120.570 0.054 0.000 2.546 29 I HA -0.106 4.064 4.170 -0.000 0.000 0.255 29 I C 2.231 178.399 176.117 0.085 0.000 1.163 29 I CA 0.956 62.309 61.300 0.088 0.000 1.457 29 I CB -0.692 37.345 38.000 0.062 0.000 1.092 29 I HN -0.210 nan 8.210 nan 0.000 0.434 30 L N -0.250 120.988 121.223 0.025 0.000 2.291 30 L HA 0.036 4.376 4.340 -0.000 0.000 0.214 30 L C 2.040 178.940 176.870 0.049 0.000 1.120 30 L CA 0.984 55.825 54.840 0.000 0.000 0.799 30 L CB -0.774 41.271 42.059 -0.024 0.000 0.925 30 L HN 0.376 nan 8.230 nan 0.000 0.446 31 G N -1.238 107.601 108.800 0.065 0.000 3.284 31 G HA2 0.051 4.011 3.960 -0.000 0.000 0.236 31 G HA3 0.051 4.011 3.960 -0.000 0.000 0.236 31 G C 0.036 174.991 174.900 0.092 0.000 1.158 31 G CA -0.257 44.884 45.100 0.069 0.000 0.774 31 G HN 0.205 nan 8.290 nan 0.000 0.545 32 N N -0.342 118.438 118.700 0.133 0.000 2.430 32 N HA 0.626 5.366 4.740 -0.000 0.000 0.298 32 N C -0.301 175.293 175.510 0.140 0.000 1.130 32 N CA -0.530 52.592 53.050 0.119 0.000 0.894 32 N CB 2.011 40.566 38.487 0.114 0.000 1.209 32 N HN -0.078 nan 8.380 nan 0.000 0.503 33 L N 0.728 121.931 121.223 -0.033 0.000 2.431 33 L HA 0.533 4.873 4.340 -0.000 0.000 0.260 33 L C -0.586 176.018 176.870 -0.445 0.000 1.098 33 L CA -0.997 53.740 54.840 -0.172 0.000 0.800 33 L CB 0.704 42.632 42.059 -0.218 0.000 1.210 33 L HN 0.289 nan 8.230 nan 0.000 0.465 34 L N 1.907 122.760 121.223 -0.616 0.000 2.316 34 L HA 0.476 4.816 4.340 -0.000 0.000 0.280 34 L C -1.027 175.594 176.870 -0.416 0.000 1.006 34 L CA 0.063 54.467 54.840 -0.726 0.000 0.836 34 L CB 1.047 42.432 42.059 -1.122 0.000 1.221 34 L HN 0.338 nan 8.230 nan 0.000 0.418 35 L N 5.442 126.473 121.223 -0.321 0.000 2.282 35 L HA 0.588 4.928 4.340 -0.000 0.000 0.288 35 L C -0.352 176.414 176.870 -0.172 0.000 1.033 35 L CA -0.351 54.345 54.840 -0.239 0.000 0.807 35 L CB 1.555 43.506 42.059 -0.181 0.000 1.209 35 L HN 0.654 nan 8.230 nan 0.000 0.423 36 Q N 2.304 122.001 119.800 -0.172 0.000 2.421 36 Q HA 0.732 5.072 4.340 -0.000 0.000 0.280 36 Q C -1.565 174.360 176.000 -0.124 0.000 1.085 36 Q CA -0.781 54.949 55.803 -0.120 0.000 0.807 36 Q CB 3.684 32.352 28.738 -0.117 0.000 1.405 36 Q HN 0.320 nan 8.270 nan 0.000 0.419 37 V N 0.656 120.532 119.914 -0.063 0.000 2.668 37 V HA 0.954 5.074 4.120 -0.000 0.000 0.304 37 V C -1.224 174.863 176.094 -0.012 0.000 1.071 37 V CA -0.498 61.775 62.300 -0.044 0.000 0.894 37 V CB 1.656 33.502 31.823 0.039 0.000 1.008 37 V HN 0.878 nan 8.190 nan 0.000 0.425 38 A N 2.698 125.503 122.820 -0.024 0.000 2.590 38 A HA 0.666 4.986 4.320 -0.000 0.000 0.294 38 A C -0.300 177.270 177.584 -0.023 0.000 1.046 38 A CA -0.150 51.884 52.037 -0.004 0.000 0.684 38 A CB 1.037 20.026 19.000 -0.018 0.000 1.279 38 A HN 0.893 nan 8.150 nan 0.000 0.415 39 D N 0.107 120.510 120.400 0.005 0.000 2.955 39 D HA -0.081 4.559 4.640 -0.000 0.000 0.226 39 D C 1.067 177.333 176.300 -0.056 0.000 1.178 39 D CA 3.261 57.255 54.000 -0.009 0.000 0.808 39 D CB -1.077 39.706 40.800 -0.028 0.000 1.099 39 D HN 2.399 nan 8.370 nan 0.000 0.421 40 G N -1.046 107.689 108.800 -0.109 0.000 2.171 40 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.238 40 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.238 40 G C 0.146 174.837 174.900 -0.348 0.000 1.039 40 G CA 0.355 45.190 45.100 -0.442 0.000 0.759 40 G HN 0.815 nan 8.290 nan 0.000 0.501 41 T N -0.623 113.796 114.554 -0.225 0.000 3.071 41 T HA 0.561 4.911 4.350 -0.000 0.000 0.311 41 T C -0.695 173.891 174.700 -0.190 0.000 1.042 41 T CA -0.426 61.559 62.100 -0.192 0.000 1.028 41 T CB 1.248 70.028 68.868 -0.147 0.000 1.068 41 T HN 1.238 nan 8.240 nan 0.000 0.451 42 L N 5.579 126.657 121.223 -0.241 0.000 2.275 42 L HA 0.796 5.136 4.340 -0.000 0.000 0.288 42 L C -0.192 176.521 176.870 -0.263 0.000 1.046 42 L CA 0.088 54.735 54.840 -0.320 0.000 0.805 42 L CB 1.399 43.121 42.059 -0.561 0.000 1.193 42 L HN 0.673 nan 8.230 nan 0.000 0.426 43 S N 5.286 120.847 115.700 -0.231 0.000 2.640 43 S HA 0.708 5.178 4.470 -0.000 0.000 0.320 43 S C -0.670 173.813 174.600 -0.196 0.000 1.097 43 S CA -0.836 57.249 58.200 -0.191 0.000 1.092 43 S CB 0.825 63.935 63.200 -0.150 0.000 0.988 43 S HN 0.464 nan 8.310 nan 0.000 0.470 44 L N 2.951 124.067 121.223 -0.179 0.000 2.350 44 L HA 0.651 4.991 4.340 -0.000 0.000 0.275 44 L C 0.457 177.256 176.870 -0.119 0.000 1.099 44 L CA 0.307 55.047 54.840 -0.167 0.000 0.808 44 L CB 1.325 43.309 42.059 -0.126 0.000 1.149 44 L HN 0.777 nan 8.230 nan 0.000 0.442 45 T N 1.480 115.954 114.554 -0.133 0.000 3.011 45 T HA 0.674 5.024 4.350 -0.000 0.000 0.303 45 T C -0.176 174.562 174.700 0.063 0.000 0.997 45 T CA -0.761 61.321 62.100 -0.030 0.000 1.007 45 T CB 1.618 70.470 68.868 -0.026 0.000 1.017 45 T HN 0.787 nan 8.240 nan 0.000 0.443 46 G N 0.801 109.691 108.800 0.151 0.000 2.482 46 G HA2 0.744 4.704 3.960 -0.000 0.000 0.317 46 G HA3 0.744 4.704 3.960 -0.000 0.000 0.317 46 G C -1.041 173.986 174.900 0.211 0.000 1.241 46 G CA -0.634 44.588 45.100 0.204 0.000 0.967 46 G HN 0.738 nan 8.290 nan 0.000 0.482 47 T N -0.784 113.871 114.554 0.169 0.000 2.885 47 T HA 0.438 4.788 4.350 -0.000 0.000 0.322 47 T C -1.264 173.427 174.700 -0.015 0.000 1.387 47 T CA -0.364 61.763 62.100 0.044 0.000 1.041 47 T CB 1.887 70.715 68.868 -0.067 0.000 1.287 47 T HN 0.621 nan 8.240 nan 0.000 0.491 48 D N 3.205 123.592 120.400 -0.022 0.000 2.599 48 D HA 0.135 4.775 4.640 -0.000 0.000 0.249 48 D C 0.969 177.236 176.300 -0.055 0.000 1.313 48 D CA -0.247 53.733 54.000 -0.032 0.000 0.815 48 D CB -0.315 40.482 40.800 -0.006 0.000 1.077 48 D HN 0.687 nan 8.370 nan 0.000 0.492 49 L N 0.454 121.627 121.223 -0.084 0.000 3.737 49 L HA -0.270 4.069 4.340 -0.000 0.000 0.418 49 L C 0.990 177.815 176.870 -0.076 0.000 1.216 49 L CA 1.153 55.936 54.840 -0.094 0.000 0.915 49 L CB -1.317 40.680 42.059 -0.103 0.000 1.834 49 L HN 0.385 nan 8.230 nan 0.000 0.943 50 E N -0.025 120.142 120.200 -0.056 0.000 3.001 50 E HA 0.154 4.504 4.350 -0.000 0.000 0.211 50 E C 0.526 177.103 176.600 -0.039 0.000 1.026 50 E CA 0.492 56.861 56.400 -0.051 0.000 1.614 50 E CB 0.603 30.287 29.700 -0.026 0.000 1.672 50 E HN 0.489 nan 8.360 nan 0.000 0.869 51 M N 0.434 120.044 119.600 0.018 0.000 2.664 51 M HA 0.561 5.041 4.480 -0.000 0.000 0.279 51 M C -1.922 174.443 176.300 0.110 0.000 1.275 51 M CA -0.775 54.574 55.300 0.082 0.000 0.829 51 M CB 2.533 35.334 32.600 0.334 0.000 1.727 51 M HN -0.029 nan 8.290 nan 0.000 0.459 52 E N 1.748 122.044 120.200 0.160 0.000 2.311 52 E HA 0.514 4.864 4.350 -0.000 0.000 0.281 52 E C -1.827 174.926 176.600 0.255 0.000 0.905 52 E CA -0.898 55.601 56.400 0.165 0.000 0.778 52 E CB 2.220 31.975 29.700 0.092 0.000 1.240 52 E HN 0.695 nan 8.360 nan 0.000 0.410 53 M N 2.822 122.557 119.600 0.225 0.000 2.367 53 M HA 0.468 4.948 4.480 -0.000 0.000 0.339 53 M C -1.210 175.176 176.300 0.143 0.000 1.177 53 M CA -0.958 54.472 55.300 0.216 0.000 1.068 53 M CB 1.791 34.480 32.600 0.147 0.000 1.602 53 M HN 0.636 nan 8.290 nan 0.000 0.457 54 V N 3.005 122.994 119.914 0.125 0.000 2.532 54 V HA 0.522 4.642 4.120 -0.000 0.000 0.294 54 V C -0.319 175.760 176.094 -0.025 0.000 1.036 54 V CA -1.039 61.283 62.300 0.037 0.000 0.876 54 V CB 1.526 33.356 31.823 0.012 0.000 1.012 54 V HN 0.967 nan 8.190 nan 0.000 0.432 55 A N 6.022 128.792 122.820 -0.083 0.000 2.310 55 A HA 0.898 5.217 4.320 -0.000 0.000 0.299 55 A C -0.166 177.280 177.584 -0.231 0.000 1.147 55 A CA -0.627 51.275 52.037 -0.225 0.000 0.818 55 A CB 0.755 19.651 19.000 -0.174 0.000 1.096 55 A HN 0.656 nan 8.150 nan 0.000 0.495 56 R N 1.369 121.687 120.500 -0.303 0.000 2.387 56 R HA 0.557 4.897 4.340 -0.000 0.000 0.314 56 R C -1.565 174.600 176.300 -0.225 0.000 0.958 56 R CA -0.505 55.456 56.100 -0.231 0.000 0.846 56 R CB 1.414 31.592 30.300 -0.203 0.000 1.147 56 R HN 0.418 nan 8.270 nan 0.000 0.447 57 V N 1.986 121.787 119.914 -0.189 0.000 2.482 57 V HA 0.425 4.545 4.120 -0.000 0.000 0.295 57 V C 0.030 176.037 176.094 -0.145 0.000 1.026 57 V CA -1.235 60.974 62.300 -0.152 0.000 0.856 57 V CB 1.810 33.560 31.823 -0.122 0.000 1.001 57 V HN 0.843 nan 8.190 nan 0.000 0.424 58 A N 5.949 128.698 122.820 -0.118 0.000 2.396 58 A HA 0.610 4.930 4.320 -0.000 0.000 0.279 58 A C -0.083 177.442 177.584 -0.098 0.000 1.165 58 A CA -0.183 51.780 52.037 -0.124 0.000 0.824 58 A CB -0.087 18.854 19.000 -0.098 0.000 1.100 58 A HN 0.866 nan 8.150 nan 0.000 0.516 59 L N 4.591 125.716 121.223 -0.164 0.000 2.407 59 L HA 0.079 4.419 4.340 -0.000 0.000 0.282 59 L C 1.613 178.457 176.870 -0.045 0.000 1.110 59 L CA -0.600 54.188 54.840 -0.088 0.000 0.863 59 L CB 0.461 42.460 42.059 -0.100 0.000 1.207 59 L HN 0.801 nan 8.230 nan 0.000 0.454 60 V N 0.888 120.837 119.914 0.058 0.000 2.244 60 V HA -0.149 3.971 4.120 -0.000 0.000 0.244 60 V C 1.199 177.377 176.094 0.140 0.000 1.042 60 V CA 0.732 63.084 62.300 0.086 0.000 1.006 60 V CB -0.811 31.072 31.823 0.099 0.000 0.641 60 V HN 0.771 nan 8.190 nan 0.000 0.446 61 Q N 1.041 120.929 119.800 0.146 0.000 2.500 61 Q HA 0.297 4.637 4.340 -0.000 0.000 0.215 61 Q C -2.319 173.815 176.000 0.224 0.000 1.062 61 Q CA -1.915 53.973 55.803 0.143 0.000 0.996 61 Q CB -0.716 28.083 28.738 0.101 0.000 1.239 61 Q HN 0.274 nan 8.270 nan 0.000 0.578 62 P HA -0.159 nan 4.420 nan 0.000 0.259 62 P C -1.179 176.210 177.300 0.148 0.000 1.155 62 P CA 1.045 64.179 63.100 0.057 0.000 0.759 62 P CB 0.218 31.924 31.700 0.010 0.000 0.753 63 H N 1.171 120.288 119.070 0.077 0.000 2.907 63 H HA 0.715 5.271 4.556 -0.000 0.000 0.361 63 H C -0.602 174.771 175.328 0.075 0.000 1.194 63 H CA -0.931 55.180 56.048 0.105 0.000 1.152 63 H CB 2.071 31.886 29.762 0.088 0.000 1.867 63 H HN 0.251 nan 8.280 nan 0.000 0.561 64 E N 0.524 120.839 120.200 0.192 0.000 2.422 64 E HA 0.259 4.608 4.350 -0.000 0.000 0.289 64 E C -2.975 173.692 176.600 0.111 0.000 0.985 64 E CA -1.786 54.674 56.400 0.100 0.000 0.812 64 E CB 2.871 32.601 29.700 0.050 0.000 1.226 64 E HN 0.385 nan 8.360 nan 0.000 0.419 65 P HA 0.261 nan 4.420 nan 0.000 0.269 65 P C -0.269 177.060 177.300 0.048 0.000 1.205 65 P CA 0.665 63.797 63.100 0.054 0.000 0.780 65 P CB 0.496 32.218 31.700 0.036 0.000 0.858 66 G N -0.471 108.348 108.800 0.031 0.000 2.329 66 G HA2 0.483 4.443 3.960 -0.000 0.000 0.308 66 G HA3 0.483 4.443 3.960 -0.000 0.000 0.308 66 G C -1.983 172.920 174.900 0.005 0.000 1.587 66 G CA -0.024 45.091 45.100 0.025 0.000 0.978 66 G HN 0.494 nan 8.290 nan 0.000 0.685 67 A N 0.280 123.096 122.820 -0.006 0.000 2.385 67 A HA 0.937 5.257 4.320 -0.000 0.000 0.290 67 A C -0.227 177.334 177.584 -0.038 0.000 1.094 67 A CA 0.257 52.273 52.037 -0.036 0.000 0.729 67 A CB 2.055 21.032 19.000 -0.039 0.000 1.194 67 A HN 1.704 nan 8.150 nan 0.000 0.442 68 T N 0.463 114.980 114.554 -0.063 0.000 2.896 68 T HA 0.699 5.049 4.350 -0.000 0.000 0.297 68 T C -0.776 173.850 174.700 -0.123 0.000 1.108 68 T CA -0.152 61.912 62.100 -0.059 0.000 1.004 68 T CB 1.536 70.394 68.868 -0.018 0.000 1.159 68 T HN 0.489 nan 8.240 nan 0.000 0.499 69 T N 2.674 117.173 114.554 -0.092 0.000 3.155 69 T HA 0.467 4.817 4.350 -0.000 0.000 0.384 69 T C 0.082 174.745 174.700 -0.062 0.000 1.351 69 T CA -0.524 61.506 62.100 -0.117 0.000 1.198 69 T CB 0.054 68.898 68.868 -0.040 0.000 1.106 69 T HN 0.668 nan 8.240 nan 0.000 0.564 70 V N 1.869 121.722 119.914 -0.102 0.000 2.863 70 V HA 0.715 4.835 4.120 -0.000 0.000 0.307 70 V C -2.795 173.290 176.094 -0.016 0.000 1.061 70 V CA -2.875 59.403 62.300 -0.036 0.000 1.024 70 V CB 1.061 32.864 31.823 -0.034 0.000 1.049 70 V HN 0.296 nan 8.190 nan 0.000 0.471 71 P HA 0.234 nan 4.420 nan 0.000 0.269 71 P C 0.257 177.624 177.300 0.112 0.000 1.217 71 P CA 0.732 63.882 63.100 0.084 0.000 0.783 71 P CB 0.800 32.559 31.700 0.099 0.000 0.898 72 A N 2.447 125.332 122.820 0.110 0.000 1.884 72 A HA -0.032 4.288 4.320 -0.000 0.000 0.212 72 A C 2.125 179.830 177.584 0.201 0.000 1.265 72 A CA 0.747 52.866 52.037 0.136 0.000 0.626 72 A CB -0.810 18.239 19.000 0.083 0.000 0.943 72 A HN 0.321 nan 8.150 nan 0.000 0.466 73 R N 0.665 121.256 120.500 0.151 0.000 2.122 73 R HA -0.184 4.156 4.340 -0.000 0.000 0.236 73 R C 2.069 178.479 176.300 0.184 0.000 1.129 73 R CA 2.172 58.371 56.100 0.166 0.000 0.925 73 R CB -0.800 29.566 30.300 0.109 0.000 0.850 73 R HN 0.631 nan 8.270 nan 0.000 0.431 74 K N -0.430 120.050 120.400 0.133 0.000 1.971 74 K HA -0.202 4.118 4.320 -0.000 0.000 0.221 74 K C 2.074 178.717 176.600 0.071 0.000 1.050 74 K CA 1.837 58.172 56.287 0.079 0.000 0.967 74 K CB -0.689 31.857 32.500 0.077 0.000 0.733 74 K HN 0.081 nan 8.250 nan 0.000 0.445 75 F N 1.085 121.037 119.950 0.003 0.000 2.214 75 F HA -0.277 4.250 4.527 -0.000 0.000 0.302 75 F C 1.926 177.745 175.800 0.030 0.000 1.063 75 F CA 1.350 59.346 58.000 -0.007 0.000 1.319 75 F CB -0.156 38.868 39.000 0.040 0.000 1.046 75 F HN 0.086 nan 8.300 nan 0.000 0.505 76 F N 0.734 120.746 119.950 0.103 0.000 2.220 76 F HA -0.024 4.503 4.527 -0.000 0.000 0.290 76 F C 2.222 177.980 175.800 -0.071 0.000 1.080 76 F CA 1.442 59.468 58.000 0.044 0.000 1.318 76 F CB -0.835 38.221 39.000 0.094 0.000 1.063 76 F HN -0.153 nan 8.300 nan 0.000 0.498 77 D N 1.080 121.321 120.400 -0.266 0.000 2.106 77 D HA -0.217 4.422 4.640 -0.000 0.000 0.191 77 D C 2.330 178.370 176.300 -0.433 0.000 0.997 77 D CA 1.863 55.636 54.000 -0.378 0.000 0.834 77 D CB -0.528 40.192 40.800 -0.133 0.000 0.956 77 D HN 0.262 nan 8.370 nan 0.000 0.448 78 I N 1.440 121.744 120.570 -0.444 0.000 2.053 78 I HA -0.328 3.842 4.170 -0.000 0.000 0.236 78 I C 2.795 178.600 176.117 -0.521 0.000 1.038 78 I CA 1.135 62.061 61.300 -0.622 0.000 1.304 78 I CB -0.833 36.579 38.000 -0.980 0.000 1.023 78 I HN 0.094 nan 8.210 nan 0.000 0.395 79 C N -0.011 118.968 119.300 -0.536 0.000 2.411 79 C HA -0.134 4.326 4.460 -0.000 0.000 0.279 79 C C 2.828 177.623 174.990 -0.325 0.000 1.288 79 C CA 0.659 59.448 59.018 -0.382 0.000 1.764 79 C CB -1.301 26.230 27.740 -0.348 0.000 1.974 79 C HN 0.458 nan 8.230 nan 0.000 0.498 80 R N 1.140 121.346 120.500 -0.491 0.000 2.200 80 R HA -0.012 4.328 4.340 -0.000 0.000 0.208 80 R C 1.417 177.543 176.300 -0.290 0.000 1.033 80 R CA 1.180 56.994 56.100 -0.476 0.000 1.000 80 R CB -0.289 29.437 30.300 -0.956 0.000 0.906 80 R HN 0.534 nan 8.270 nan 0.000 0.462 81 G N 1.453 110.093 108.800 -0.267 0.000 4.420 81 G HA2 0.404 4.364 3.960 -0.000 0.000 0.299 81 G HA3 0.404 4.364 3.960 -0.000 0.000 0.299 81 G C -0.481 174.367 174.900 -0.087 0.000 1.343 81 G CA -0.364 44.645 45.100 -0.152 0.000 1.272 81 G HN 0.051 nan 8.290 nan 0.000 0.610 82 L N -0.335 120.840 121.223 -0.080 0.000 2.397 82 L HA 0.517 4.857 4.340 -0.000 0.000 0.251 82 L C -2.124 174.728 176.870 -0.029 0.000 1.064 82 L CA -2.466 52.355 54.840 -0.031 0.000 0.859 82 L CB 2.997 45.041 42.059 -0.025 0.000 1.468 82 L HN -0.058 nan 8.230 nan 0.000 0.411 83 P HA 0.001 nan 4.420 nan 0.000 0.260 83 P C -0.884 176.406 177.300 -0.017 0.000 1.207 83 P CA -0.140 62.951 63.100 -0.014 0.000 0.780 83 P CB -0.051 31.643 31.700 -0.011 0.000 0.789 84 E N 2.710 122.900 120.200 -0.015 0.000 2.311 84 E HA 0.239 4.589 4.350 -0.000 0.000 0.247 84 E C 0.858 177.454 176.600 -0.007 0.000 1.215 84 E CA -0.168 56.226 56.400 -0.010 0.000 0.957 84 E CB -0.845 28.854 29.700 -0.003 0.000 1.020 84 E HN 0.721 nan 8.360 nan 0.000 0.461 85 G N 2.043 110.835 108.800 -0.012 0.000 2.485 85 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.181 85 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.181 85 G C 0.279 175.165 174.900 -0.023 0.000 0.999 85 G CA -0.336 44.756 45.100 -0.015 0.000 0.721 85 G HN 0.863 nan 8.290 nan 0.000 0.486 86 A N 0.311 123.118 122.820 -0.022 0.000 2.407 86 A HA 0.690 5.010 4.320 -0.000 0.000 0.248 86 A C 0.231 177.798 177.584 -0.030 0.000 1.082 86 A CA 0.306 52.329 52.037 -0.023 0.000 0.785 86 A CB 0.461 19.451 19.000 -0.018 0.000 1.020 86 A HN 0.280 nan 8.150 nan 0.000 0.489 87 E N 0.024 120.207 120.200 -0.029 0.000 2.283 87 E HA 0.578 4.928 4.350 -0.000 0.000 0.271 87 E C -1.059 175.524 176.600 -0.029 0.000 1.031 87 E CA -0.069 56.312 56.400 -0.030 0.000 0.868 87 E CB 1.063 30.747 29.700 -0.028 0.000 1.094 87 E HN 0.425 nan 8.360 nan 0.000 0.401 88 I N 1.417 121.969 120.570 -0.029 0.000 2.418 88 I HA 0.472 4.642 4.170 -0.000 0.000 0.287 88 I C -0.693 175.350 176.117 -0.123 0.000 1.008 88 I CA -0.625 60.641 61.300 -0.058 0.000 1.104 88 I CB 1.935 39.903 38.000 -0.054 0.000 1.264 88 I HN 0.435 nan 8.210 nan 0.000 0.438 89 A N 6.412 129.146 122.820 -0.144 0.000 2.277 89 A HA 0.785 5.105 4.320 -0.000 0.000 0.318 89 A C -0.643 176.783 177.584 -0.265 0.000 1.339 89 A CA -0.538 51.373 52.037 -0.210 0.000 0.875 89 A CB 0.530 19.461 19.000 -0.115 0.000 1.158 89 A HN 0.449 nan 8.150 nan 0.000 0.514 90 V N 3.687 123.289 119.914 -0.520 0.000 2.483 90 V HA 0.621 4.741 4.120 -0.000 0.000 0.295 90 V C -0.076 175.862 176.094 -0.261 0.000 1.035 90 V CA -0.288 61.772 62.300 -0.399 0.000 0.896 90 V CB 1.429 32.919 31.823 -0.555 0.000 0.986 90 V HN 1.022 nan 8.190 nan 0.000 0.447 91 Q N 4.098 123.846 119.800 -0.086 0.000 2.284 91 Q HA 0.567 4.907 4.340 -0.000 0.000 0.269 91 Q C -1.431 174.579 176.000 0.017 0.000 1.026 91 Q CA -0.981 54.807 55.803 -0.024 0.000 0.831 91 Q CB 2.108 30.830 28.738 -0.028 0.000 1.322 91 Q HN 0.568 nan 8.270 nan 0.000 0.419 92 L N 2.470 123.714 121.223 0.036 0.000 2.515 92 L HA 0.213 4.553 4.340 -0.000 0.000 0.281 92 L C -0.374 176.512 176.870 0.027 0.000 1.131 92 L CA 0.819 55.682 54.840 0.038 0.000 0.905 92 L CB 0.437 42.520 42.059 0.040 0.000 1.246 92 L HN 0.859 nan 8.230 nan 0.000 0.463 93 E N 4.555 124.771 120.200 0.026 0.000 1.998 93 E HA 0.360 4.710 4.350 -0.000 0.000 0.257 93 E C 1.267 177.879 176.600 0.020 0.000 1.038 93 E CA 0.449 56.861 56.400 0.020 0.000 0.869 93 E CB -0.010 29.701 29.700 0.018 0.000 1.135 93 E HN 0.967 nan 8.360 nan 0.000 0.430 94 G N 4.731 113.542 108.800 0.018 0.000 4.293 94 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.222 94 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.222 94 G C 0.790 175.702 174.900 0.019 0.000 1.452 94 G CA 1.085 46.195 45.100 0.017 0.000 1.312 94 G HN 0.623 nan 8.290 nan 0.000 0.709 95 E N -0.641 119.573 120.200 0.022 0.000 2.858 95 E HA 0.246 4.596 4.350 -0.000 0.000 0.195 95 E C 0.023 176.642 176.600 0.032 0.000 0.952 95 E CA -0.457 55.958 56.400 0.025 0.000 1.294 95 E CB 1.012 30.726 29.700 0.023 0.000 1.048 95 E HN 0.260 nan 8.360 nan 0.000 0.485 96 R N 0.599 121.120 120.500 0.035 0.000 2.808 96 R HA 0.478 4.818 4.340 -0.000 0.000 0.272 96 R C -0.915 175.418 176.300 0.054 0.000 0.995 96 R CA -1.045 55.082 56.100 0.046 0.000 0.917 96 R CB 1.196 31.522 30.300 0.043 0.000 1.217 96 R HN 0.017 nan 8.270 nan 0.000 0.471 97 M N 2.700 122.346 119.600 0.076 0.000 2.208 97 M HA 0.298 4.778 4.480 -0.000 0.000 0.352 97 M C -1.113 175.244 176.300 0.096 0.000 1.137 97 M CA -0.338 55.020 55.300 0.096 0.000 1.091 97 M CB 0.297 32.984 32.600 0.146 0.000 1.309 97 M HN 0.220 nan 8.290 nan 0.000 0.408 98 L N 5.095 126.354 121.223 0.060 0.000 2.418 98 L HA 0.341 4.681 4.340 -0.000 0.000 0.274 98 L C -0.319 176.573 176.870 0.035 0.000 1.135 98 L CA 0.060 54.928 54.840 0.047 0.000 0.870 98 L CB 0.176 42.246 42.059 0.018 0.000 1.154 98 L HN 0.422 nan 8.230 nan 0.000 0.462 99 V N 5.405 125.362 119.914 0.071 0.000 3.019 99 V HA 0.629 4.749 4.120 -0.000 0.000 0.317 99 V C -0.034 176.096 176.094 0.060 0.000 1.094 99 V CA -0.989 61.346 62.300 0.058 0.000 1.000 99 V CB 2.649 34.538 31.823 0.110 0.000 1.060 99 V HN 0.700 nan 8.190 nan 0.000 0.443 100 R N 0.977 121.491 120.500 0.023 0.000 2.772 100 R HA 0.325 4.664 4.340 -0.000 0.000 0.288 100 R C -1.042 175.257 176.300 -0.002 0.000 1.365 100 R CA -0.196 55.903 56.100 -0.002 0.000 1.023 100 R CB 1.679 31.957 30.300 -0.036 0.000 1.261 100 R HN 0.654 nan 8.270 nan 0.000 0.422 101 S N 1.855 117.571 115.700 0.027 0.000 2.790 101 S HA 0.475 4.944 4.470 -0.000 0.000 0.202 101 S C 0.903 175.495 174.600 -0.013 0.000 1.383 101 S CA 0.639 58.850 58.200 0.018 0.000 1.026 101 S CB 0.380 63.621 63.200 0.069 0.000 1.253 101 S HN 0.949 nan 8.310 nan 0.000 0.489 102 G N 4.235 113.019 108.800 -0.027 0.000 4.315 102 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.280 102 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.280 102 G C 0.487 175.358 174.900 -0.049 0.000 1.649 102 G CA 0.053 45.132 45.100 -0.034 0.000 1.108 102 G HN 0.525 nan 8.290 nan 0.000 0.667 103 R N 0.346 120.806 120.500 -0.067 0.000 2.526 103 R HA 0.338 4.677 4.340 -0.000 0.000 0.346 103 R C 0.627 176.839 176.300 -0.147 0.000 0.926 103 R CA 0.651 56.697 56.100 -0.090 0.000 1.147 103 R CB 0.253 30.507 30.300 -0.076 0.000 1.629 103 R HN 0.385 nan 8.270 nan 0.000 0.516 104 S N 3.497 119.104 115.700 -0.156 0.000 4.139 104 S HA 0.152 4.622 4.470 -0.000 0.000 0.215 104 S C 0.354 174.680 174.600 -0.457 0.000 1.390 104 S CA -0.243 57.780 58.200 -0.295 0.000 0.885 104 S CB -0.322 62.792 63.200 -0.142 0.000 1.560 104 S HN 0.127 nan 8.310 nan 0.000 0.449 105 R N 1.169 121.407 120.500 -0.436 0.000 2.312 105 R HA 0.623 4.963 4.340 -0.000 0.000 0.311 105 R C -1.036 174.993 176.300 -0.452 0.000 1.004 105 R CA -0.449 55.464 56.100 -0.312 0.000 0.902 105 R CB 0.434 30.652 30.300 -0.136 0.000 1.073 105 R HN 0.199 nan 8.270 nan 0.000 0.457 106 F N 0.177 120.095 119.950 -0.053 0.000 2.585 106 F HA 0.570 5.097 4.527 -0.000 0.000 0.350 106 F C 0.532 176.319 175.800 -0.021 0.000 1.074 106 F CA -1.373 56.604 58.000 -0.039 0.000 1.032 106 F CB 1.676 40.645 39.000 -0.050 0.000 1.330 106 F HN 0.469 nan 8.300 nan 0.000 0.495 107 S N 0.919 116.748 115.700 0.216 0.000 2.720 107 S HA 0.649 5.119 4.470 -0.000 0.000 0.278 107 S C -1.421 173.251 174.600 0.121 0.000 1.172 107 S CA -0.495 57.781 58.200 0.127 0.000 1.019 107 S CB 0.313 63.559 63.200 0.076 0.000 1.049 107 S HN 0.560 nan 8.310 nan 0.000 0.483 108 L N 3.976 125.269 121.223 0.117 0.000 2.309 108 L HA 0.539 4.879 4.340 -0.000 0.000 0.282 108 L C 0.539 177.460 176.870 0.086 0.000 1.036 108 L CA -0.747 54.159 54.840 0.109 0.000 0.806 108 L CB 2.017 44.165 42.059 0.148 0.000 1.220 108 L HN 0.771 nan 8.230 nan 0.000 0.429 109 S N 0.803 116.547 115.700 0.073 0.000 2.531 109 S HA 0.428 4.898 4.470 -0.000 0.000 0.279 109 S C -0.017 174.617 174.600 0.057 0.000 1.305 109 S CA -0.649 57.586 58.200 0.058 0.000 1.058 109 S CB 0.703 63.933 63.200 0.052 0.000 0.899 109 S HN 0.689 nan 8.310 nan 0.000 0.493 110 T N 0.767 115.349 114.554 0.047 0.000 2.916 110 T HA 0.627 4.977 4.350 -0.000 0.000 0.298 110 T C -0.691 174.029 174.700 0.033 0.000 1.031 110 T CA -1.001 61.122 62.100 0.039 0.000 0.993 110 T CB 0.672 69.560 68.868 0.033 0.000 1.045 110 T HN 0.375 nan 8.240 nan 0.000 0.454 111 L N 3.724 124.968 121.223 0.035 0.000 2.379 111 L HA 0.576 4.916 4.340 -0.000 0.000 0.269 111 L C -1.980 174.911 176.870 0.034 0.000 1.084 111 L CA -2.222 52.642 54.840 0.039 0.000 0.802 111 L CB 0.172 42.264 42.059 0.054 0.000 1.175 111 L HN 0.507 nan 8.230 nan 0.000 0.448 112 P HA -0.030 nan 4.420 nan 0.000 0.267 112 P C -0.260 177.064 177.300 0.040 0.000 1.200 112 P CA -0.134 62.984 63.100 0.030 0.000 0.772 112 P CB 0.790 32.509 31.700 0.031 0.000 0.855 113 A N 2.728 125.557 122.820 0.016 0.000 2.238 113 A HA 0.202 4.522 4.320 -0.000 0.000 0.208 113 A C 1.912 179.533 177.584 0.062 0.000 1.177 113 A CA 0.931 52.973 52.037 0.009 0.000 0.804 113 A CB -0.834 18.130 19.000 -0.060 0.000 0.823 113 A HN 0.571 nan 8.150 nan 0.000 0.482 114 A N -0.867 121.985 122.820 0.052 0.000 2.251 114 A HA 0.186 4.506 4.320 -0.000 0.000 0.209 114 A C 0.998 178.621 177.584 0.066 0.000 1.187 114 A CA 0.967 53.035 52.037 0.052 0.000 0.823 114 A CB -0.077 18.942 19.000 0.033 0.000 0.846 114 A HN 0.288 nan 8.150 nan 0.000 0.486 115 D N -2.120 118.337 120.400 0.094 0.000 2.479 115 D HA 0.186 4.826 4.640 -0.000 0.000 0.216 115 D C -0.185 176.189 176.300 0.124 0.000 1.110 115 D CA -0.247 53.805 54.000 0.086 0.000 0.841 115 D CB 0.046 40.888 40.800 0.070 0.000 1.040 115 D HN 0.313 nan 8.370 nan 0.000 0.505 116 F N 3.430 123.376 119.950 -0.007 0.000 2.572 116 F HA 0.195 4.722 4.527 -0.000 0.000 0.370 116 F C -1.647 174.149 175.800 -0.007 0.000 1.103 116 F CA -1.547 56.447 58.000 -0.009 0.000 1.286 116 F CB 0.785 39.776 39.000 -0.015 0.000 1.105 116 F HN -0.160 nan 8.300 nan 0.000 0.583 117 P HA 0.072 nan 4.420 nan 0.000 0.213 117 P C -1.021 176.074 177.300 -0.341 0.000 1.861 117 P CA -0.404 62.513 63.100 -0.306 0.000 1.076 117 P CB 0.163 31.695 31.700 -0.280 0.000 1.867 118 N N 2.701 121.330 118.700 -0.118 0.000 2.513 118 N HA 0.056 4.796 4.740 -0.000 0.000 0.268 118 N C 0.357 175.866 175.510 -0.002 0.000 1.180 118 N CA -0.259 52.793 53.050 0.004 0.000 0.948 118 N CB 0.694 39.287 38.487 0.178 0.000 1.083 118 N HN 0.263 nan 8.380 nan 0.000 0.455 119 L N 3.191 124.417 121.223 0.005 0.000 3.036 119 L HA -0.109 4.231 4.340 -0.000 0.000 0.304 119 L C 0.038 176.984 176.870 0.127 0.000 1.203 119 L CA 0.136 55.000 54.840 0.039 0.000 1.194 119 L CB -1.103 40.979 42.059 0.039 0.000 1.517 119 L HN 0.411 nan 8.230 nan 0.000 0.423 120 D N 1.785 122.243 120.400 0.096 0.000 2.752 120 D HA -0.115 4.525 4.640 -0.000 0.000 0.225 120 D C 0.444 176.860 176.300 0.193 0.000 1.104 120 D CA 0.591 54.654 54.000 0.104 0.000 0.832 120 D CB 0.324 41.168 40.800 0.073 0.000 1.161 120 D HN 0.290 nan 8.370 nan 0.000 0.505 121 D N 3.175 123.604 120.400 0.049 0.000 2.383 121 D HA -0.039 4.601 4.640 -0.000 0.000 0.275 121 D C 0.260 176.462 176.300 -0.164 0.000 1.344 121 D CA -0.099 53.808 54.000 -0.154 0.000 0.984 121 D CB 0.210 40.885 40.800 -0.209 0.000 1.104 121 D HN 0.370 nan 8.370 nan 0.000 0.524 122 W N 2.226 123.506 121.300 -0.033 0.000 2.141 122 W HA 0.364 5.024 4.660 -0.000 0.000 0.354 122 W C 0.461 176.968 176.519 -0.019 0.000 1.297 122 W CA -1.019 56.311 57.345 -0.025 0.000 1.380 122 W CB -0.453 28.989 29.460 -0.029 0.000 1.168 122 W HN 0.132 nan 8.180 nan 0.000 0.639 123 Q N 1.341 121.141 119.800 0.001 0.000 2.327 123 Q HA 0.174 4.514 4.340 -0.000 0.000 0.254 123 Q C -0.203 175.712 176.000 -0.141 0.000 0.952 123 Q CA 0.152 55.880 55.803 -0.125 0.000 0.884 123 Q CB 1.134 29.866 28.738 -0.009 0.000 1.224 123 Q HN 0.437 nan 8.270 nan 0.000 0.422 124 S N 2.790 118.323 115.700 -0.278 0.000 2.523 124 S HA 0.130 4.600 4.470 -0.000 0.000 0.275 124 S C 0.115 174.736 174.600 0.034 0.000 1.281 124 S CA -0.211 57.891 58.200 -0.163 0.000 1.050 124 S CB 0.401 63.476 63.200 -0.208 0.000 0.937 124 S HN 0.742 nan 8.310 nan 0.000 0.492 125 E N 2.538 122.834 120.200 0.159 0.000 2.473 125 E HA 0.254 4.604 4.350 -0.000 0.000 0.204 125 E C -0.565 176.090 176.600 0.092 0.000 0.994 125 E CA -0.028 56.437 56.400 0.109 0.000 0.945 125 E CB 1.186 30.959 29.700 0.122 0.000 0.990 125 E HN 0.352 nan 8.360 nan 0.000 0.493 126 V N 1.952 121.948 119.914 0.136 0.000 2.859 126 V HA 0.086 4.206 4.120 -0.000 0.000 0.276 126 V C -2.198 174.006 176.094 0.184 0.000 1.496 126 V CA -0.634 61.761 62.300 0.157 0.000 0.929 126 V CB 1.608 33.548 31.823 0.195 0.000 1.147 126 V HN 0.252 nan 8.190 nan 0.000 0.449 127 E N 6.965 127.250 120.200 0.142 0.000 2.312 127 E HA 0.953 5.303 4.350 -0.000 0.000 0.267 127 E C -0.849 175.845 176.600 0.155 0.000 0.894 127 E CA -0.690 55.731 56.400 0.035 0.000 0.773 127 E CB 2.430 32.093 29.700 -0.062 0.000 1.241 127 E HN 1.299 nan 8.360 nan 0.000 0.432 128 F N -2.142 117.792 119.950 -0.026 0.000 2.807 128 F HA 0.724 5.251 4.527 -0.000 0.000 0.316 128 F C -1.333 174.448 175.800 -0.031 0.000 1.162 128 F CA -0.881 57.108 58.000 -0.019 0.000 0.910 128 F CB 1.274 40.279 39.000 0.007 0.000 1.314 128 F HN 0.418 nan 8.300 nan 0.000 0.454 129 T N 3.842 118.494 114.554 0.164 0.000 2.924 129 T HA 0.879 5.229 4.350 -0.000 0.000 0.291 129 T C -1.445 173.365 174.700 0.183 0.000 1.045 129 T CA -0.644 61.489 62.100 0.055 0.000 1.015 129 T CB 1.853 70.725 68.868 0.006 0.000 1.103 129 T HN 1.202 nan 8.240 nan 0.000 0.496 130 L N -0.867 120.427 121.223 0.118 0.000 2.700 130 L HA 0.565 4.905 4.340 -0.000 0.000 0.255 130 L C -3.528 173.394 176.870 0.085 0.000 0.933 130 L CA -2.418 52.500 54.840 0.131 0.000 0.920 130 L CB 0.208 42.395 42.059 0.213 0.000 1.472 130 L HN 0.317 nan 8.230 nan 0.000 0.426 131 P HA 0.086 nan 4.420 nan 0.000 0.258 131 P C 0.710 178.043 177.300 0.056 0.000 1.172 131 P CA 0.457 63.588 63.100 0.051 0.000 0.762 131 P CB 0.561 32.288 31.700 0.044 0.000 0.764 132 Q N 3.631 123.458 119.800 0.045 0.000 2.096 132 Q HA -0.301 4.038 4.340 -0.000 0.000 0.208 132 Q C 2.109 178.136 176.000 0.045 0.000 0.993 132 Q CA 2.047 57.876 55.803 0.044 0.000 0.862 132 Q CB -0.757 27.998 28.738 0.027 0.000 0.915 132 Q HN 0.588 nan 8.270 nan 0.000 0.416 133 A N 0.774 123.616 122.820 0.037 0.000 1.940 133 A HA -0.295 4.025 4.320 -0.000 0.000 0.221 133 A C 2.262 179.870 177.584 0.041 0.000 1.190 133 A CA 2.364 54.420 52.037 0.033 0.000 0.647 133 A CB -1.100 17.917 19.000 0.028 0.000 0.821 133 A HN 0.422 nan 8.150 nan 0.000 0.457 134 T N -0.781 113.803 114.554 0.050 0.000 2.732 134 T HA -0.049 4.301 4.350 -0.000 0.000 0.261 134 T C 1.841 176.585 174.700 0.073 0.000 1.040 134 T CA 1.339 63.473 62.100 0.056 0.000 1.145 134 T CB -0.223 68.682 68.868 0.063 0.000 0.866 134 T HN 0.281 nan 8.240 nan 0.000 0.427 135 M N 1.162 120.821 119.600 0.099 0.000 2.623 135 M HA -0.009 4.471 4.480 -0.000 0.000 0.258 135 M C 1.914 178.279 176.300 0.108 0.000 1.067 135 M CA 1.179 56.560 55.300 0.136 0.000 1.068 135 M CB -0.617 32.070 32.600 0.145 0.000 1.409 135 M HN 0.200 nan 8.290 nan 0.000 0.504 136 K N -0.650 119.793 120.400 0.071 0.000 2.244 136 K HA -0.096 4.224 4.320 -0.000 0.000 0.200 136 K C 1.942 178.571 176.600 0.048 0.000 1.052 136 K CA 0.356 56.676 56.287 0.055 0.000 0.980 136 K CB 0.220 32.742 32.500 0.038 0.000 0.838 136 K HN 0.023 nan 8.250 nan 0.000 0.481 137 R N 1.385 121.911 120.500 0.042 0.000 2.081 137 R HA -0.019 4.321 4.340 -0.000 0.000 0.235 137 R C 1.898 178.212 176.300 0.022 0.000 1.131 137 R CA 1.447 57.568 56.100 0.035 0.000 0.960 137 R CB -0.709 29.608 30.300 0.029 0.000 0.856 137 R HN 0.223 nan 8.270 nan 0.000 0.436 138 L N -0.255 120.973 121.223 0.008 0.000 2.093 138 L HA -0.047 4.293 4.340 -0.000 0.000 0.208 138 L C 2.280 179.111 176.870 -0.065 0.000 1.085 138 L CA 1.157 55.967 54.840 -0.050 0.000 0.755 138 L CB -0.282 41.737 42.059 -0.067 0.000 0.904 138 L HN 0.197 nan 8.230 nan 0.000 0.435 139 I N -0.799 119.772 120.570 0.002 0.000 2.500 139 I HA -0.174 3.996 4.170 -0.000 0.000 0.252 139 I C 2.220 178.359 176.117 0.037 0.000 1.142 139 I CA 0.910 62.223 61.300 0.021 0.000 1.451 139 I CB -0.148 37.910 38.000 0.095 0.000 1.093 139 I HN 0.260 nan 8.210 nan 0.000 0.430 140 E N 1.184 121.416 120.200 0.054 0.000 2.107 140 E HA -0.092 4.258 4.350 -0.000 0.000 0.191 140 E C 2.217 178.899 176.600 0.137 0.000 0.982 140 E CA 1.005 57.456 56.400 0.086 0.000 0.809 140 E CB -0.027 29.715 29.700 0.071 0.000 0.756 140 E HN 0.441 nan 8.360 nan 0.000 0.459 141 A N 0.738 123.624 122.820 0.110 0.000 2.206 141 A HA -0.067 4.252 4.320 -0.000 0.000 0.211 141 A C 1.961 179.643 177.584 0.163 0.000 1.158 141 A CA 1.570 53.718 52.037 0.185 0.000 0.761 141 A CB -0.200 18.867 19.000 0.111 0.000 0.801 141 A HN 0.338 nan 8.150 nan 0.000 0.473 142 T N -5.310 109.235 114.554 -0.014 0.000 3.028 142 T HA 0.109 4.459 4.350 -0.000 0.000 0.262 142 T C 1.492 176.028 174.700 -0.274 0.000 0.916 142 T CA 0.491 62.459 62.100 -0.221 0.000 0.873 142 T CB -0.329 68.396 68.868 -0.239 0.000 1.232 142 T HN 0.293 nan 8.240 nan 0.000 0.529 143 Q N 0.939 120.690 119.800 -0.081 0.000 2.308 143 Q HA -0.099 4.241 4.340 -0.000 0.000 0.209 143 Q C 1.522 177.546 176.000 0.040 0.000 0.985 143 Q CA 1.663 57.462 55.803 -0.007 0.000 0.881 143 Q CB -0.402 28.377 28.738 0.069 0.000 0.917 143 Q HN 0.854 nan 8.270 nan 0.000 0.443 144 F N -2.499 117.484 119.950 0.055 0.000 2.811 144 F HA 0.289 4.816 4.527 -0.000 0.000 0.301 144 F C 1.442 177.281 175.800 0.066 0.000 1.151 144 F CA 0.166 58.199 58.000 0.055 0.000 1.412 144 F CB -0.007 39.012 39.000 0.032 0.000 1.113 144 F HN -0.135 nan 8.300 nan 0.000 0.579 145 S N 0.844 116.330 115.700 -0.357 0.000 2.511 145 S HA 0.262 4.732 4.470 -0.000 0.000 0.214 145 S C 0.842 175.408 174.600 -0.055 0.000 0.997 145 S CA -0.393 57.684 58.200 -0.205 0.000 0.908 145 S CB -0.187 62.787 63.200 -0.376 0.000 0.803 145 S HN 0.324 nan 8.310 nan 0.000 0.504 146 M N 2.024 121.611 119.600 -0.023 0.000 2.252 146 M HA 0.371 4.851 4.480 -0.000 0.000 0.348 146 M C 0.391 176.728 176.300 0.060 0.000 1.334 146 M CA -0.250 55.069 55.300 0.032 0.000 1.071 146 M CB -0.257 32.367 32.600 0.039 0.000 1.763 146 M HN 0.054 nan 8.290 nan 0.000 0.452 147 A N 2.485 125.330 122.820 0.043 0.000 2.492 147 A HA 0.051 4.371 4.320 -0.000 0.000 0.236 147 A C -0.275 177.353 177.584 0.073 0.000 1.078 147 A CA 0.034 52.105 52.037 0.058 0.000 0.773 147 A CB 0.098 19.097 19.000 -0.003 0.000 1.023 147 A HN 0.902 nan 8.150 nan 0.000 0.504 148 H N 1.108 120.206 119.070 0.048 0.000 2.587 148 H HA 0.236 4.791 4.556 -0.000 0.000 0.325 148 H C -0.293 175.056 175.328 0.035 0.000 1.012 148 H CA 0.185 56.260 56.048 0.045 0.000 1.213 148 H CB 0.801 30.596 29.762 0.055 0.000 1.431 148 H HN 0.867 nan 8.280 nan 0.000 0.492 149 Q N 2.039 121.764 119.800 -0.126 0.000 2.457 149 Q HA -0.229 4.111 4.340 -0.000 0.000 0.283 149 Q C -0.375 175.636 176.000 0.020 0.000 1.234 149 Q CA 0.891 56.688 55.803 -0.010 0.000 0.877 149 Q CB -1.053 27.753 28.738 0.113 0.000 1.250 149 Q HN 0.653 nan 8.270 nan 0.000 0.481 150 D N -0.230 120.162 120.400 -0.013 0.000 2.304 150 D HA 0.200 4.840 4.640 -0.000 0.000 0.247 150 D C 1.194 177.466 176.300 -0.048 0.000 1.089 150 D CA -0.182 53.799 54.000 -0.032 0.000 0.910 150 D CB 1.567 42.319 40.800 -0.080 0.000 1.199 150 D HN -0.063 nan 8.370 nan 0.000 0.426 151 V N 3.492 123.378 119.914 -0.047 0.000 2.626 151 V HA -0.133 3.987 4.120 -0.000 0.000 0.252 151 V C 1.254 177.285 176.094 -0.105 0.000 1.067 151 V CA 1.270 63.553 62.300 -0.028 0.000 1.081 151 V CB -0.420 31.395 31.823 -0.014 0.000 0.686 151 V HN 0.419 nan 8.190 nan 0.000 0.468 152 R N 0.816 121.155 120.500 -0.269 0.000 3.268 152 R HA 0.117 4.457 4.340 -0.000 0.000 0.217 152 R C 1.403 177.227 176.300 -0.792 0.000 1.568 152 R CA -0.194 55.502 56.100 -0.672 0.000 1.322 152 R CB -0.375 29.488 30.300 -0.729 0.000 1.280 152 R HN 0.665 nan 8.270 nan 0.000 0.667 153 Y N 0.388 120.484 120.300 -0.341 0.000 2.219 153 Y HA -0.381 4.169 4.550 -0.000 0.000 0.283 153 Y C 1.482 177.301 175.900 -0.136 0.000 1.191 153 Y CA 1.103 59.097 58.100 -0.176 0.000 1.199 153 Y CB -1.048 37.393 38.460 -0.031 0.000 0.972 153 Y HN 0.501 nan 8.280 nan 0.000 0.527 154 Y N -0.821 119.505 120.300 0.043 0.000 2.403 154 Y HA -0.013 4.537 4.550 -0.000 0.000 0.291 154 Y C 2.006 178.051 175.900 0.242 0.000 1.143 154 Y CA 0.640 58.855 58.100 0.192 0.000 1.257 154 Y CB -0.992 37.520 38.460 0.087 0.000 0.984 154 Y HN 0.201 nan 8.280 nan 0.000 0.550 155 L N 0.527 121.615 121.223 -0.225 0.000 2.131 155 L HA -0.103 4.237 4.340 -0.000 0.000 0.206 155 L C 1.129 178.025 176.870 0.044 0.000 1.087 155 L CA 0.764 55.576 54.840 -0.047 0.000 0.767 155 L CB -0.515 41.387 42.059 -0.262 0.000 0.917 155 L HN 0.250 nan 8.230 nan 0.000 0.441 156 N N 1.095 119.788 118.700 -0.012 0.000 2.668 156 N HA -0.015 4.725 4.740 -0.000 0.000 0.201 156 N C 0.457 175.982 175.510 0.025 0.000 1.408 156 N CA 0.497 53.542 53.050 -0.009 0.000 0.905 156 N CB -0.037 38.431 38.487 -0.030 0.000 1.093 156 N HN 0.358 nan 8.380 nan 0.000 0.453 157 G N -0.935 107.911 108.800 0.078 0.000 2.870 157 G HA2 0.618 4.578 3.960 -0.000 0.000 0.299 157 G HA3 0.618 4.578 3.960 -0.000 0.000 0.299 157 G C -1.316 173.612 174.900 0.048 0.000 1.324 157 G CA -0.605 44.532 45.100 0.060 0.000 0.808 157 G HN 0.133 nan 8.290 nan 0.000 0.535 158 M N 0.286 119.895 119.600 0.015 0.000 2.535 158 M HA 0.775 5.255 4.480 -0.000 0.000 0.314 158 M C -1.736 174.476 176.300 -0.146 0.000 1.153 158 M CA -0.991 54.273 55.300 -0.060 0.000 0.924 158 M CB 2.378 34.979 32.600 0.001 0.000 1.710 158 M HN 0.506 nan 8.290 nan 0.000 0.451 159 L N 3.768 124.753 121.223 -0.397 0.000 2.296 159 L HA 0.623 4.963 4.340 -0.000 0.000 0.286 159 L C -1.948 174.749 176.870 -0.288 0.000 1.023 159 L CA -0.266 54.319 54.840 -0.424 0.000 0.812 159 L CB 1.005 42.508 42.059 -0.927 0.000 1.223 159 L HN 0.667 nan 8.230 nan 0.000 0.421 160 F N 3.186 123.025 119.950 -0.185 0.000 2.469 160 F HA 0.561 5.088 4.527 -0.000 0.000 0.332 160 F C -0.058 175.690 175.800 -0.087 0.000 1.103 160 F CA -0.446 57.496 58.000 -0.095 0.000 0.979 160 F CB 1.849 40.832 39.000 -0.029 0.000 1.137 160 F HN 0.532 nan 8.300 nan 0.000 0.463 161 E N -0.104 120.139 120.200 0.072 0.000 2.390 161 E HA 0.705 5.054 4.350 -0.000 0.000 0.277 161 E C -1.686 174.937 176.600 0.038 0.000 0.939 161 E CA -1.134 55.299 56.400 0.054 0.000 0.769 161 E CB 2.164 31.883 29.700 0.031 0.000 1.251 161 E HN 0.455 nan 8.360 nan 0.000 0.450 162 T N -0.464 114.115 114.554 0.042 0.000 2.908 162 T HA 0.705 5.055 4.350 -0.000 0.000 0.290 162 T C -0.785 173.912 174.700 -0.005 0.000 1.034 162 T CA -0.926 61.160 62.100 -0.024 0.000 1.010 162 T CB 1.441 70.276 68.868 -0.055 0.000 1.068 162 T HN 0.748 nan 8.240 nan 0.000 0.481 163 E N 0.355 120.533 120.200 -0.037 0.000 3.386 163 E HA 0.476 4.825 4.350 -0.000 0.000 0.370 163 E C 0.096 176.677 176.600 -0.032 0.000 1.006 163 E CA -0.708 55.682 56.400 -0.018 0.000 0.812 163 E CB 0.242 29.947 29.700 0.008 0.000 1.301 163 E HN 1.439 nan 8.360 nan 0.000 0.460 164 G N 3.036 111.816 108.800 -0.032 0.000 2.553 164 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.242 164 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.242 164 G C 0.065 174.932 174.900 -0.054 0.000 1.277 164 G CA 0.047 45.127 45.100 -0.033 0.000 0.910 164 G HN 0.640 nan 8.290 nan 0.000 0.576 165 E N 1.440 121.611 120.200 -0.048 0.000 2.303 165 E HA 0.243 4.592 4.350 -0.000 0.000 0.211 165 E C 0.276 176.833 176.600 -0.073 0.000 1.223 165 E CA 0.236 56.600 56.400 -0.059 0.000 1.344 165 E CB 0.181 29.860 29.700 -0.035 0.000 1.299 165 E HN 0.420 nan 8.360 nan 0.000 0.441 166 E N 1.195 121.343 120.200 -0.087 0.000 2.256 166 E HA 0.308 4.658 4.350 -0.000 0.000 0.268 166 E C -1.588 174.941 176.600 -0.117 0.000 0.877 166 E CA -0.763 55.585 56.400 -0.086 0.000 0.757 166 E CB 1.727 31.396 29.700 -0.052 0.000 1.183 166 E HN -0.010 nan 8.360 nan 0.000 0.418 167 L N 3.953 125.103 121.223 -0.121 0.000 2.331 167 L HA 0.636 4.976 4.340 -0.000 0.000 0.275 167 L C -1.002 175.817 176.870 -0.084 0.000 1.022 167 L CA -0.174 54.600 54.840 -0.111 0.000 0.812 167 L CB 1.122 43.126 42.059 -0.093 0.000 1.257 167 L HN 0.640 nan 8.230 nan 0.000 0.435 168 R N 1.288 121.728 120.500 -0.100 0.000 2.680 168 R HA 0.849 5.189 4.340 -0.000 0.000 0.269 168 R C -1.728 174.395 176.300 -0.296 0.000 1.026 168 R CA -0.551 55.441 56.100 -0.181 0.000 0.889 168 R CB 1.614 31.810 30.300 -0.173 0.000 1.241 168 R HN 0.613 nan 8.270 nan 0.000 0.463 169 T N 0.348 114.670 114.554 -0.387 0.000 2.908 169 T HA 0.693 5.043 4.350 -0.000 0.000 0.290 169 T C -0.354 174.110 174.700 -0.394 0.000 1.034 169 T CA -0.681 61.108 62.100 -0.519 0.000 1.010 169 T CB 1.810 70.281 68.868 -0.662 0.000 1.068 169 T HN 0.832 nan 8.240 nan 0.000 0.481 170 V N -2.343 117.370 119.914 -0.335 0.000 3.012 170 V HA 1.021 5.141 4.120 -0.000 0.000 0.307 170 V C -1.118 174.933 176.094 -0.072 0.000 1.166 170 V CA -1.293 60.891 62.300 -0.193 0.000 0.974 170 V CB 1.240 33.042 31.823 -0.035 0.000 1.040 170 V HN 1.512 nan 8.190 nan 0.000 0.428 171 A N 1.869 124.673 122.820 -0.026 0.000 2.488 171 A HA 0.957 5.277 4.320 -0.000 0.000 0.298 171 A C -0.545 177.043 177.584 0.007 0.000 1.044 171 A CA -0.134 51.928 52.037 0.041 0.000 0.693 171 A CB 2.089 21.032 19.000 -0.095 0.000 1.272 171 A HN 1.681 nan 8.150 nan 0.000 0.402 172 T N -0.035 114.548 114.554 0.049 0.000 2.889 172 T HA 0.531 4.881 4.350 -0.000 0.000 0.315 172 T C -1.172 173.490 174.700 -0.063 0.000 1.291 172 T CA 0.242 62.307 62.100 -0.058 0.000 1.028 172 T CB 1.510 70.306 68.868 -0.119 0.000 1.235 172 T HN 0.847 nan 8.240 nan 0.000 0.491 173 D N 0.467 120.815 120.400 -0.086 0.000 2.500 173 D HA 0.303 4.943 4.640 -0.000 0.000 0.217 173 D C 1.320 177.525 176.300 -0.158 0.000 1.159 173 D CA 0.670 54.632 54.000 -0.065 0.000 0.828 173 D CB 0.060 40.881 40.800 0.034 0.000 1.039 173 D HN 1.095 nan 8.370 nan 0.000 0.512 174 G N 0.313 108.981 108.800 -0.219 0.000 2.176 174 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.232 174 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.232 174 G C 0.766 175.387 174.900 -0.465 0.000 0.986 174 G CA 0.351 45.248 45.100 -0.338 0.000 0.643 174 G HN 0.464 nan 8.290 nan 0.000 0.522 175 H N -0.558 118.427 119.070 -0.140 0.000 3.266 175 H HA 0.238 4.794 4.556 -0.000 0.000 0.246 175 H C 1.363 176.505 175.328 -0.309 0.000 0.998 175 H CA 1.423 57.358 56.048 -0.187 0.000 1.152 175 H CB 0.985 30.620 29.762 -0.212 0.000 1.466 175 H HN 0.646 nan 8.280 nan 0.000 0.481 176 R N 0.389 120.752 120.500 -0.229 0.000 2.781 176 R HA 0.650 4.990 4.340 -0.000 0.000 0.269 176 R C -1.558 174.666 176.300 -0.127 0.000 1.025 176 R CA -0.882 55.100 56.100 -0.197 0.000 0.914 176 R CB 1.851 31.977 30.300 -0.289 0.000 1.236 176 R HN 0.076 nan 8.270 nan 0.000 0.465 177 L N -0.777 120.401 121.223 -0.075 0.000 2.506 177 L HA 0.948 5.288 4.340 -0.000 0.000 0.257 177 L C -1.595 175.216 176.870 -0.098 0.000 0.964 177 L CA -0.672 54.115 54.840 -0.088 0.000 0.836 177 L CB 2.454 44.472 42.059 -0.067 0.000 1.384 177 L HN 0.996 nan 8.230 nan 0.000 0.410 178 A N 3.419 126.128 122.820 -0.184 0.000 2.371 178 A HA 0.865 5.185 4.320 -0.000 0.000 0.311 178 A C -1.526 175.836 177.584 -0.369 0.000 1.068 178 A CA -0.543 51.304 52.037 -0.317 0.000 0.744 178 A CB 1.938 20.739 19.000 -0.331 0.000 1.239 178 A HN 0.578 nan 8.150 nan 0.000 0.435 179 V N 0.435 120.040 119.914 -0.516 0.000 2.638 179 V HA 0.651 4.771 4.120 -0.000 0.000 0.306 179 V C -0.560 175.238 176.094 -0.494 0.000 1.052 179 V CA -0.653 61.329 62.300 -0.529 0.000 0.885 179 V CB 1.259 32.664 31.823 -0.697 0.000 0.999 179 V HN 1.135 nan 8.190 nan 0.000 0.424 180 C N 3.350 122.407 119.300 -0.405 0.000 2.608 180 C HA 0.819 5.279 4.460 -0.000 0.000 0.325 180 C C -0.159 174.682 174.990 -0.247 0.000 1.147 180 C CA 0.029 58.872 59.018 -0.292 0.000 1.359 180 C CB 1.421 29.029 27.740 -0.220 0.000 1.912 180 C HN 0.948 nan 8.230 nan 0.000 0.466 181 S N 6.003 121.594 115.700 -0.180 0.000 2.557 181 S HA 0.814 5.284 4.470 -0.000 0.000 0.291 181 S C -0.871 173.680 174.600 -0.082 0.000 1.116 181 S CA -0.550 57.571 58.200 -0.132 0.000 0.992 181 S CB 1.437 64.567 63.200 -0.116 0.000 1.028 181 S HN 0.743 nan 8.310 nan 0.000 0.484 182 M N 4.127 123.689 119.600 -0.063 0.000 2.530 182 M HA 0.521 5.001 4.480 -0.000 0.000 0.307 182 M C -2.836 173.444 176.300 -0.032 0.000 1.161 182 M CA -2.545 52.734 55.300 -0.035 0.000 0.903 182 M CB 1.767 34.358 32.600 -0.014 0.000 1.711 182 M HN 0.291 nan 8.290 nan 0.000 0.451 183 P HA 0.361 nan 4.420 nan 0.000 0.284 183 P C 0.136 177.429 177.300 -0.012 0.000 1.253 183 P CA -0.284 62.803 63.100 -0.022 0.000 0.800 183 P CB 0.930 32.623 31.700 -0.012 0.000 0.961 184 I N -1.353 119.202 120.570 -0.026 0.000 4.139 184 I HA 0.395 4.565 4.170 -0.000 0.000 0.320 184 I C 1.076 177.203 176.117 0.017 0.000 1.290 184 I CA 0.221 61.522 61.300 0.001 0.000 1.253 184 I CB -0.286 37.691 38.000 -0.040 0.000 1.122 184 I HN 0.510 nan 8.210 nan 0.000 0.421 185 G N 1.865 110.665 108.800 -0.001 0.000 2.165 185 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.226 185 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.226 185 G C -0.293 174.613 174.900 0.010 0.000 1.035 185 G CA -0.012 45.093 45.100 0.008 0.000 0.744 185 G HN 0.605 nan 8.290 nan 0.000 0.501 186 Q N -0.111 119.685 119.800 -0.007 0.000 2.380 186 Q HA 0.442 4.782 4.340 -0.000 0.000 0.245 186 Q C -0.096 175.886 176.000 -0.030 0.000 0.893 186 Q CA -0.114 55.688 55.803 -0.002 0.000 0.922 186 Q CB 1.643 30.400 28.738 0.032 0.000 1.432 186 Q HN 0.768 nan 8.270 nan 0.000 0.434 187 S N 3.323 119.011 115.700 -0.019 0.000 2.437 187 S HA 0.385 4.855 4.470 -0.000 0.000 0.304 187 S C 0.030 174.614 174.600 -0.026 0.000 1.167 187 S CA -0.377 57.807 58.200 -0.026 0.000 1.106 187 S CB -0.234 62.958 63.200 -0.014 0.000 1.099 187 S HN 0.468 nan 8.310 nan 0.000 0.524 188 L N 3.966 125.159 121.223 -0.051 0.000 2.352 188 L HA 0.626 4.966 4.340 -0.000 0.000 0.269 188 L C -1.874 174.981 176.870 -0.025 0.000 1.034 188 L CA -2.688 52.127 54.840 -0.041 0.000 0.806 188 L CB 0.869 42.866 42.059 -0.102 0.000 1.244 188 L HN 0.389 nan 8.230 nan 0.000 0.447 189 P HA 0.085 nan 4.420 nan 0.000 0.274 189 P C -0.851 176.458 177.300 0.014 0.000 1.237 189 P CA -0.421 62.677 63.100 -0.003 0.000 0.793 189 P CB 0.984 32.676 31.700 -0.012 0.000 0.977 190 S N 0.810 116.523 115.700 0.022 0.000 2.513 190 S HA 0.390 4.860 4.470 -0.000 0.000 0.276 190 S C -0.388 174.297 174.600 0.141 0.000 1.254 190 S CA -0.430 57.806 58.200 0.060 0.000 1.053 190 S CB 0.387 63.613 63.200 0.043 0.000 0.958 190 S HN 0.694 nan 8.310 nan 0.000 0.491 191 H N 0.500 119.585 119.070 0.026 0.000 3.037 191 H HA 0.513 5.069 4.556 -0.000 0.000 0.355 191 H C -1.458 173.897 175.328 0.044 0.000 1.263 191 H CA -0.838 55.233 56.048 0.038 0.000 1.129 191 H CB 2.059 31.852 29.762 0.053 0.000 1.861 191 H HN 0.706 nan 8.280 nan 0.000 0.546 192 S N 2.026 117.666 115.700 -0.099 0.000 2.614 192 S HA 0.445 4.915 4.470 -0.000 0.000 0.288 192 S C -1.032 173.434 174.600 -0.223 0.000 1.137 192 S CA -0.664 57.475 58.200 -0.101 0.000 0.992 192 S CB 1.532 64.718 63.200 -0.023 0.000 1.026 192 S HN 0.521 nan 8.310 nan 0.000 0.486 193 V N 0.642 120.466 119.914 -0.150 0.000 3.078 193 V HA 0.705 4.825 4.120 -0.000 0.000 0.311 193 V C -1.110 174.926 176.094 -0.096 0.000 1.138 193 V CA -0.976 61.231 62.300 -0.155 0.000 1.007 193 V CB 1.753 33.469 31.823 -0.179 0.000 1.045 193 V HN 0.815 nan 8.190 nan 0.000 0.432 194 I N 2.765 123.277 120.570 -0.097 0.000 2.330 194 I HA 0.399 4.568 4.170 -0.000 0.000 0.286 194 I C -0.431 175.667 176.117 -0.031 0.000 1.025 194 I CA -0.764 60.490 61.300 -0.076 0.000 1.197 194 I CB 1.697 39.679 38.000 -0.030 0.000 1.358 194 I HN 0.480 nan 8.210 nan 0.000 0.467 195 V N 9.002 128.930 119.914 0.023 0.000 2.432 195 V HA 0.203 4.323 4.120 -0.000 0.000 0.271 195 V C -1.916 174.203 176.094 0.042 0.000 1.046 195 V CA -1.553 60.752 62.300 0.008 0.000 0.945 195 V CB 0.711 32.551 31.823 0.030 0.000 0.992 195 V HN 0.529 nan 8.190 nan 0.000 0.471 196 P HA 0.044 nan 4.420 nan 0.000 0.271 196 P C 0.804 178.132 177.300 0.046 0.000 1.233 196 P CA -0.188 62.927 63.100 0.026 0.000 0.795 196 P CB 0.497 32.201 31.700 0.008 0.000 0.936 197 R N 1.369 121.884 120.500 0.025 0.000 2.062 197 R HA -0.133 4.207 4.340 -0.000 0.000 0.231 197 R C 1.523 177.845 176.300 0.036 0.000 1.136 197 R CA 1.467 57.583 56.100 0.027 0.000 0.948 197 R CB -0.922 29.370 30.300 -0.014 0.000 0.845 197 R HN 0.128 nan 8.270 nan 0.000 0.430 198 K N 0.756 121.170 120.400 0.024 0.000 2.077 198 K HA -0.144 4.176 4.320 -0.000 0.000 0.213 198 K C 2.177 178.802 176.600 0.043 0.000 1.051 198 K CA 2.118 58.420 56.287 0.026 0.000 0.929 198 K CB -0.749 31.766 32.500 0.026 0.000 0.715 198 K HN 0.541 nan 8.250 nan 0.000 0.451 199 G N -0.316 108.550 108.800 0.109 0.000 2.534 199 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.217 199 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.217 199 G C 1.386 176.394 174.900 0.179 0.000 1.128 199 G CA 0.465 45.717 45.100 0.254 0.000 0.784 199 G HN 0.141 nan 8.290 nan 0.000 0.542 200 V N 1.112 121.093 119.914 0.110 0.000 2.649 200 V HA 0.001 4.121 4.120 -0.000 0.000 0.248 200 V C 2.623 178.747 176.094 0.049 0.000 1.054 200 V CA 0.507 62.878 62.300 0.119 0.000 1.073 200 V CB -0.106 31.801 31.823 0.140 0.000 0.699 200 V HN 0.235 nan 8.190 nan 0.000 0.463 201 I N -0.217 120.358 120.570 0.009 0.000 2.133 201 I HA -0.123 4.047 4.170 -0.000 0.000 0.238 201 I C 2.660 178.708 176.117 -0.115 0.000 1.074 201 I CA 1.378 62.661 61.300 -0.029 0.000 1.342 201 I CB -1.194 36.792 38.000 -0.024 0.000 1.053 201 I HN 0.303 nan 8.210 nan 0.000 0.404 202 E N 0.901 120.975 120.200 -0.209 0.000 2.065 202 E HA -0.261 4.089 4.350 -0.000 0.000 0.201 202 E C 2.123 178.417 176.600 -0.510 0.000 1.016 202 E CA 1.369 57.493 56.400 -0.460 0.000 0.818 202 E CB -0.531 28.670 29.700 -0.832 0.000 0.749 202 E HN 0.284 nan 8.360 nan 0.000 0.453 203 L N 0.143 121.142 121.223 -0.373 0.000 2.456 203 L HA -0.074 4.266 4.340 -0.000 0.000 0.224 203 L C 2.126 178.960 176.870 -0.060 0.000 1.148 203 L CA 1.177 55.937 54.840 -0.133 0.000 0.825 203 L CB -0.273 41.864 42.059 0.130 0.000 0.937 203 L HN 0.125 nan 8.230 nan 0.000 0.450 204 M N -1.478 118.082 119.600 -0.067 0.000 2.394 204 M HA 0.035 4.514 4.480 -0.000 0.000 0.266 204 M C 2.244 178.500 176.300 -0.074 0.000 1.098 204 M CA 1.200 56.482 55.300 -0.031 0.000 1.149 204 M CB -0.179 32.419 32.600 -0.004 0.000 1.369 204 M HN 0.108 nan 8.290 nan 0.000 0.450 205 R N 0.379 120.803 120.500 -0.126 0.000 2.082 205 R HA -0.157 4.183 4.340 -0.000 0.000 0.228 205 R C 2.347 178.537 176.300 -0.183 0.000 1.140 205 R CA 2.700 58.712 56.100 -0.147 0.000 0.920 205 R CB -0.480 29.712 30.300 -0.181 0.000 0.828 205 R HN 0.613 nan 8.270 nan 0.000 0.430 206 M N 0.646 120.099 119.600 -0.245 0.000 2.082 206 M HA -0.143 4.337 4.480 -0.000 0.000 0.258 206 M C 0.540 176.710 176.300 -0.218 0.000 1.069 206 M CA 1.472 56.584 55.300 -0.314 0.000 1.102 206 M CB -0.997 31.415 32.600 -0.313 0.000 1.336 206 M HN -0.005 nan 8.290 nan 0.000 0.404 207 L N 3.626 124.775 121.223 -0.124 0.000 2.640 207 L HA -0.057 4.283 4.340 -0.000 0.000 0.280 207 L C -0.557 176.268 176.870 -0.074 0.000 1.229 207 L CA 0.518 55.319 54.840 -0.066 0.000 0.919 207 L CB -0.374 41.673 42.059 -0.021 0.000 1.168 207 L HN 0.517 nan 8.230 nan 0.000 0.496 208 D N 2.282 122.646 120.400 -0.059 0.000 2.414 208 D HA 0.006 4.645 4.640 -0.000 0.000 0.187 208 D C 0.617 176.900 176.300 -0.028 0.000 1.255 208 D CA -0.031 53.940 54.000 -0.048 0.000 0.825 208 D CB 0.489 41.246 40.800 -0.072 0.000 1.912 208 D HN 0.536 nan 8.370 nan 0.000 0.530 209 G N 2.155 110.948 108.800 -0.012 0.000 5.267 209 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.219 209 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.219 209 G C 0.983 175.887 174.900 0.007 0.000 1.029 209 G CA 0.953 46.054 45.100 0.001 0.000 0.536 209 G HN 0.941 nan 8.290 nan 0.000 0.880 210 G N -0.609 108.194 108.800 0.005 0.000 2.707 210 G HA2 0.209 4.169 3.960 -0.000 0.000 0.231 210 G HA3 0.209 4.169 3.960 -0.000 0.000 0.231 210 G C 0.340 175.254 174.900 0.024 0.000 1.246 210 G CA 0.059 45.170 45.100 0.017 0.000 0.852 210 G HN 0.270 nan 8.290 nan 0.000 0.584 211 D N 0.549 120.966 120.400 0.028 0.000 2.413 211 D HA 0.013 4.652 4.640 -0.000 0.000 0.237 211 D C 0.121 176.440 176.300 0.031 0.000 1.171 211 D CA 0.149 54.164 54.000 0.026 0.000 0.839 211 D CB 0.046 40.859 40.800 0.022 0.000 0.950 211 D HN 0.224 nan 8.370 nan 0.000 0.499 212 N N 1.774 120.497 118.700 0.039 0.000 3.044 212 N HA 0.173 4.913 4.740 -0.000 0.000 0.254 212 N C -2.629 172.903 175.510 0.037 0.000 1.253 212 N CA -1.320 51.757 53.050 0.045 0.000 0.944 212 N CB 1.084 39.615 38.487 0.074 0.000 1.217 212 N HN -0.121 nan 8.380 nan 0.000 0.498 213 P HA -0.136 nan 4.420 nan 0.000 0.227 213 P C 0.397 177.704 177.300 0.011 0.000 1.036 213 P CA -0.277 62.837 63.100 0.022 0.000 1.080 213 P CB -0.116 31.596 31.700 0.019 0.000 1.046 214 L N 4.597 125.831 121.223 0.019 0.000 2.862 214 L HA -0.169 4.170 4.340 -0.000 0.000 0.297 214 L C 0.248 177.077 176.870 -0.067 0.000 1.190 214 L CA 1.117 55.960 54.840 0.005 0.000 0.902 214 L CB -0.345 41.728 42.059 0.023 0.000 1.236 214 L HN 0.299 nan 8.230 nan 0.000 0.485 215 R N 5.329 125.757 120.500 -0.119 0.000 2.215 215 R HA 0.522 4.862 4.340 -0.000 0.000 0.336 215 R C -0.945 175.126 176.300 -0.383 0.000 0.996 215 R CA -0.834 55.083 56.100 -0.305 0.000 0.847 215 R CB 1.023 31.057 30.300 -0.445 0.000 1.127 215 R HN 0.523 nan 8.270 nan 0.000 0.465 216 V N 3.200 122.806 119.914 -0.513 0.000 2.547 216 V HA 0.319 4.438 4.120 -0.000 0.000 0.299 216 V C 0.010 175.821 176.094 -0.472 0.000 1.040 216 V CA -0.844 61.155 62.300 -0.502 0.000 0.913 216 V CB 1.877 33.277 31.823 -0.705 0.000 0.992 216 V HN 0.668 nan 8.190 nan 0.000 0.449 217 Q N 3.486 123.193 119.800 -0.155 0.000 2.294 217 Q HA 0.542 4.881 4.340 -0.000 0.000 0.264 217 Q C -1.346 174.754 176.000 0.167 0.000 0.992 217 Q CA -0.549 55.264 55.803 0.016 0.000 0.747 217 Q CB 2.348 31.153 28.738 0.112 0.000 1.262 217 Q HN 0.611 nan 8.270 nan 0.000 0.452 218 I N 0.606 121.287 120.570 0.186 0.000 3.223 218 I HA 0.813 4.983 4.170 -0.000 0.000 0.317 218 I C 0.949 177.270 176.117 0.342 0.000 1.050 218 I CA -0.215 61.200 61.300 0.192 0.000 1.069 218 I CB 1.268 39.382 38.000 0.190 0.000 1.406 218 I HN 0.696 nan 8.210 nan 0.000 0.596 219 G N -0.522 108.397 108.800 0.199 0.000 2.325 219 G HA2 0.307 4.267 3.960 -0.000 0.000 0.295 219 G HA3 0.307 4.267 3.960 -0.000 0.000 0.295 219 G C 0.255 175.194 174.900 0.065 0.000 1.274 219 G CA 0.017 45.298 45.100 0.301 0.000 0.857 219 G HN 0.715 nan 8.290 nan 0.000 0.499 220 S N 0.231 116.014 115.700 0.139 0.000 2.427 220 S HA -0.286 4.184 4.470 -0.000 0.000 0.261 220 S C 1.143 175.673 174.600 -0.116 0.000 1.091 220 S CA 2.391 60.618 58.200 0.045 0.000 1.251 220 S CB -0.325 62.941 63.200 0.109 0.000 1.160 220 S HN 0.812 nan 8.310 nan 0.000 0.436 221 N N 1.303 119.804 118.700 -0.332 0.000 2.193 221 N HA 0.309 5.049 4.740 -0.000 0.000 0.236 221 N C -1.144 174.034 175.510 -0.554 0.000 1.347 221 N CA -0.225 52.619 53.050 -0.343 0.000 0.812 221 N CB 0.478 38.817 38.487 -0.247 0.000 1.297 221 N HN 0.449 nan 8.380 nan 0.000 0.499 222 N N 0.791 118.944 118.700 -0.912 0.000 2.610 222 N HA 0.515 5.255 4.740 -0.000 0.000 0.264 222 N C -1.169 173.822 175.510 -0.866 0.000 1.348 222 N CA -0.389 52.033 53.050 -1.046 0.000 0.819 222 N CB 2.858 40.309 38.487 -1.726 0.000 1.521 222 N HN -0.006 nan 8.380 nan 0.000 0.497 223 I N -0.233 120.045 120.570 -0.486 0.000 3.191 223 I HA 0.677 4.847 4.170 -0.000 0.000 0.313 223 I C -1.672 174.353 176.117 -0.154 0.000 1.193 223 I CA -0.727 60.447 61.300 -0.209 0.000 0.968 223 I CB 2.545 40.394 38.000 -0.251 0.000 1.262 223 I HN 0.772 nan 8.210 nan 0.000 0.456 224 R N 4.282 124.749 120.500 -0.055 0.000 2.687 224 R HA 0.805 5.145 4.340 -0.000 0.000 0.265 224 R C -2.361 173.966 176.300 0.044 0.000 1.048 224 R CA -0.680 55.370 56.100 -0.084 0.000 0.884 224 R CB 1.277 31.579 30.300 0.004 0.000 1.258 224 R HN 0.708 nan 8.270 nan 0.000 0.469 225 A N 2.051 124.930 122.820 0.097 0.000 2.343 225 A HA 0.521 4.841 4.320 -0.000 0.000 0.316 225 A C -1.165 176.600 177.584 0.302 0.000 1.104 225 A CA -0.846 51.310 52.037 0.199 0.000 0.768 225 A CB 0.795 19.893 19.000 0.164 0.000 1.213 225 A HN 0.838 nan 8.150 nan 0.000 0.456 226 H N 2.449 121.527 119.070 0.013 0.000 2.680 226 H HA 0.325 4.881 4.556 -0.000 0.000 0.260 226 H C -0.772 174.590 175.328 0.058 0.000 1.328 226 H CA -0.661 55.409 56.048 0.037 0.000 1.269 226 H CB 0.899 30.658 29.762 -0.004 0.000 1.446 226 H HN 0.285 nan 8.280 nan 0.000 0.527 227 V N 3.811 123.862 119.914 0.228 0.000 2.112 227 V HA 0.172 4.291 4.120 -0.000 0.000 0.271 227 V C 1.272 177.513 176.094 0.245 0.000 1.465 227 V CA 0.629 63.043 62.300 0.191 0.000 1.419 227 V CB -0.309 31.602 31.823 0.146 0.000 1.409 227 V HN 1.209 nan 8.190 nan 0.000 0.495 228 G N 3.438 112.337 108.800 0.164 0.000 3.031 228 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.289 228 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.289 228 G C 0.738 175.668 174.900 0.051 0.000 1.393 228 G CA 0.416 45.582 45.100 0.111 0.000 1.010 228 G HN 0.624 nan 8.290 nan 0.000 0.579 229 D N 0.886 121.266 120.400 -0.034 0.000 2.346 229 D HA 0.197 4.837 4.640 -0.000 0.000 0.206 229 D C 0.665 176.763 176.300 -0.337 0.000 1.001 229 D CA 0.288 54.136 54.000 -0.253 0.000 0.871 229 D CB -0.029 40.511 40.800 -0.434 0.000 0.943 229 D HN 0.328 nan 8.370 nan 0.000 0.518 230 F N 0.811 120.766 119.950 0.009 0.000 2.404 230 F HA 0.385 4.912 4.527 -0.000 0.000 0.345 230 F C 0.234 176.053 175.800 0.032 0.000 1.110 230 F CA -0.991 57.021 58.000 0.020 0.000 1.130 230 F CB 1.176 40.191 39.000 0.026 0.000 1.129 230 F HN -0.298 nan 8.300 nan 0.000 0.500 231 I N 5.060 125.726 120.570 0.160 0.000 2.595 231 I HA 0.161 4.331 4.170 -0.000 0.000 0.275 231 I C -0.750 175.441 176.117 0.124 0.000 1.092 231 I CA -0.615 60.717 61.300 0.053 0.000 1.145 231 I CB 0.255 38.183 38.000 -0.119 0.000 1.276 231 I HN 0.326 nan 8.210 nan 0.000 0.497 232 F N 5.356 125.326 119.950 0.034 0.000 2.412 232 F HA 0.618 5.145 4.527 -0.000 0.000 0.348 232 F C 0.111 175.918 175.800 0.011 0.000 1.102 232 F CA 0.078 58.093 58.000 0.025 0.000 1.196 232 F CB 0.805 39.817 39.000 0.021 0.000 1.144 232 F HN 0.309 nan 8.300 nan 0.000 0.541 233 T N 5.086 119.242 114.554 -0.663 0.000 2.965 233 T HA 0.296 4.646 4.350 -0.000 0.000 0.306 233 T C -0.889 173.343 174.700 -0.781 0.000 0.991 233 T CA -0.626 61.090 62.100 -0.640 0.000 1.001 233 T CB 1.025 69.789 68.868 -0.174 0.000 0.984 233 T HN 0.662 nan 8.240 nan 0.000 0.446 234 S N 2.622 117.782 115.700 -0.900 0.000 2.509 234 S HA 0.591 5.061 4.470 -0.000 0.000 0.297 234 S C -0.146 174.242 174.600 -0.353 0.000 1.118 234 S CA -0.826 57.066 58.200 -0.513 0.000 1.074 234 S CB 0.920 63.900 63.200 -0.367 0.000 1.038 234 S HN 0.641 nan 8.310 nan 0.000 0.498 235 K N 3.350 123.601 120.400 -0.249 0.000 2.154 235 K HA 0.490 4.810 4.320 -0.000 0.000 0.264 235 K C -0.689 175.783 176.600 -0.214 0.000 1.008 235 K CA -0.495 55.636 56.287 -0.260 0.000 0.937 235 K CB 0.464 32.848 32.500 -0.193 0.000 1.002 235 K HN 0.628 nan 8.250 nan 0.000 0.469 236 L N 2.484 123.571 121.223 -0.225 0.000 2.358 236 L HA 0.447 4.787 4.340 -0.000 0.000 0.268 236 L C -0.456 176.350 176.870 -0.107 0.000 1.032 236 L CA -1.355 53.387 54.840 -0.163 0.000 0.805 236 L CB 1.800 43.747 42.059 -0.187 0.000 1.253 236 L HN 0.376 nan 8.230 nan 0.000 0.452 237 V N 0.137 120.018 119.914 -0.054 0.000 2.612 237 V HA 0.312 4.432 4.120 -0.000 0.000 0.301 237 V C -0.880 175.241 176.094 0.045 0.000 1.046 237 V CA -0.606 61.696 62.300 0.003 0.000 0.946 237 V CB 1.815 33.682 31.823 0.074 0.000 1.003 237 V HN 0.853 nan 8.190 nan 0.000 0.459 238 D N 1.330 121.788 120.400 0.096 0.000 2.498 238 D HA 0.813 5.453 4.640 -0.000 0.000 0.247 238 D C -0.107 176.344 176.300 0.251 0.000 1.070 238 D CA -0.416 53.654 54.000 0.118 0.000 0.842 238 D CB 1.991 42.821 40.800 0.049 0.000 1.361 238 D HN 0.947 nan 8.370 nan 0.000 0.484 239 G N 0.253 109.140 108.800 0.146 0.000 2.316 239 G HA2 0.346 4.306 3.960 -0.000 0.000 0.296 239 G HA3 0.346 4.306 3.960 -0.000 0.000 0.296 239 G C -1.403 173.438 174.900 -0.098 0.000 1.399 239 G CA -1.242 43.880 45.100 0.035 0.000 0.833 239 G HN 0.335 nan 8.290 nan 0.000 0.565 240 R N 0.138 120.443 120.500 -0.325 0.000 2.248 240 R HA 0.337 4.676 4.340 -0.000 0.000 0.337 240 R C -0.801 175.325 176.300 -0.290 0.000 1.085 240 R CA -0.731 55.216 56.100 -0.256 0.000 0.934 240 R CB -0.093 30.047 30.300 -0.267 0.000 1.034 240 R HN 0.360 nan 8.270 nan 0.000 0.465 241 F N 5.649 125.502 119.950 -0.162 0.000 2.420 241 F HA 0.314 4.841 4.527 -0.000 0.000 0.352 241 F C -1.262 174.526 175.800 -0.021 0.000 1.108 241 F CA -2.213 55.772 58.000 -0.025 0.000 1.162 241 F CB 0.596 39.623 39.000 0.044 0.000 1.118 241 F HN 0.439 nan 8.300 nan 0.000 0.510 242 P HA -0.152 nan 4.420 nan 0.000 0.267 242 P C -0.956 176.274 177.300 -0.117 0.000 1.175 242 P CA 0.167 63.071 63.100 -0.327 0.000 0.763 242 P CB 0.538 31.962 31.700 -0.460 0.000 0.795 243 D N 1.742 122.105 120.400 -0.063 0.000 2.365 243 D HA -0.008 4.632 4.640 -0.000 0.000 0.237 243 D C 1.264 177.550 176.300 -0.023 0.000 1.190 243 D CA -0.545 53.443 54.000 -0.019 0.000 0.867 243 D CB -0.021 40.733 40.800 -0.077 0.000 1.050 243 D HN 0.378 nan 8.370 nan 0.000 0.491 244 Y N 4.218 124.522 120.300 0.005 0.000 2.348 244 Y HA -0.199 4.351 4.550 -0.000 0.000 0.285 244 Y C 1.539 177.420 175.900 -0.033 0.000 1.173 244 Y CA 1.312 59.401 58.100 -0.018 0.000 1.263 244 Y CB -0.260 38.200 38.460 0.001 0.000 0.974 244 Y HN 0.293 nan 8.280 nan 0.000 0.547 245 R N 0.286 120.428 120.500 -0.597 0.000 2.153 245 R HA 0.101 4.441 4.340 -0.000 0.000 0.218 245 R C 2.016 178.197 176.300 -0.199 0.000 1.072 245 R CA 0.876 56.675 56.100 -0.500 0.000 0.990 245 R CB -0.135 29.821 30.300 -0.573 0.000 0.889 245 R HN 0.328 nan 8.270 nan 0.000 0.452 246 R N 0.583 120.995 120.500 -0.148 0.000 2.323 246 R HA -0.017 4.323 4.340 -0.000 0.000 0.198 246 R C 1.542 177.808 176.300 -0.056 0.000 0.988 246 R CA 0.769 56.816 56.100 -0.089 0.000 1.041 246 R CB 0.345 30.596 30.300 -0.082 0.000 0.926 246 R HN 0.217 nan 8.270 nan 0.000 0.476 247 V N -3.351 116.540 119.914 -0.039 0.000 3.307 247 V HA 0.181 4.301 4.120 -0.000 0.000 0.244 247 V C 0.902 177.000 176.094 0.007 0.000 1.196 247 V CA -0.126 62.165 62.300 -0.014 0.000 1.132 247 V CB -0.133 31.683 31.823 -0.011 0.000 0.875 247 V HN -0.013 nan 8.190 nan 0.000 0.468 248 L N 4.118 125.352 121.223 0.019 0.000 2.640 248 L HA 0.139 4.479 4.340 -0.000 0.000 0.280 248 L C -1.713 175.168 176.870 0.019 0.000 1.229 248 L CA -0.858 54.001 54.840 0.031 0.000 0.919 248 L CB -0.140 41.943 42.059 0.040 0.000 1.168 248 L HN 0.237 nan 8.230 nan 0.000 0.496 249 P HA -0.082 nan 4.420 nan 0.000 0.261 249 P C -0.806 176.508 177.300 0.024 0.000 1.173 249 P CA -0.048 63.070 63.100 0.029 0.000 0.760 249 P CB 0.570 32.294 31.700 0.039 0.000 0.783 250 K N 4.199 124.612 120.400 0.021 0.000 2.273 250 K HA 0.121 4.441 4.320 -0.000 0.000 0.287 250 K C 0.002 176.619 176.600 0.028 0.000 1.089 250 K CA -0.178 56.119 56.287 0.017 0.000 0.909 250 K CB -0.629 31.875 32.500 0.006 0.000 1.123 250 K HN 0.321 nan 8.250 nan 0.000 0.473 251 N N 4.137 122.859 118.700 0.036 0.000 2.586 251 N HA -0.130 4.610 4.740 -0.000 0.000 0.282 251 N C -2.550 173.001 175.510 0.069 0.000 1.171 251 N CA 0.551 53.631 53.050 0.051 0.000 0.733 251 N CB -0.464 38.041 38.487 0.031 0.000 0.910 251 N HN 0.531 nan 8.380 nan 0.000 0.548 252 P HA 0.195 nan 4.420 nan 0.000 0.297 252 P C 0.562 177.982 177.300 0.200 0.000 1.319 252 P CA -0.378 62.799 63.100 0.128 0.000 0.810 252 P CB 1.018 32.777 31.700 0.098 0.000 0.947 253 D N 4.117 124.587 120.400 0.117 0.000 2.085 253 D HA -0.095 4.545 4.640 -0.000 0.000 0.199 253 D C -0.036 176.311 176.300 0.079 0.000 0.981 253 D CA 0.886 54.915 54.000 0.047 0.000 0.834 253 D CB -0.306 40.497 40.800 0.004 0.000 0.992 253 D HN 0.374 nan 8.370 nan 0.000 0.457 254 K N 0.780 121.253 120.400 0.123 0.000 2.447 254 K HA 0.175 4.495 4.320 -0.000 0.000 0.281 254 K C -0.077 176.731 176.600 0.347 0.000 1.031 254 K CA 0.506 56.861 56.287 0.113 0.000 1.019 254 K CB 0.524 33.141 32.500 0.195 0.000 0.918 254 K HN 0.363 nan 8.250 nan 0.000 0.476 255 H N 1.835 120.862 119.070 -0.072 0.000 2.768 255 H HA 0.465 5.021 4.556 -0.000 0.000 0.371 255 H C -1.023 174.363 175.328 0.096 0.000 1.151 255 H CA -1.345 54.716 56.048 0.022 0.000 1.165 255 H CB 1.840 31.593 29.762 -0.015 0.000 1.722 255 H HN 0.364 nan 8.280 nan 0.000 0.543 256 L N 0.087 121.468 121.223 0.263 0.000 2.506 256 L HA 0.524 4.864 4.340 -0.000 0.000 0.257 256 L C -1.345 175.627 176.870 0.169 0.000 0.964 256 L CA -0.614 54.394 54.840 0.281 0.000 0.836 256 L CB 2.636 44.915 42.059 0.367 0.000 1.384 256 L HN 0.596 nan 8.230 nan 0.000 0.410 257 E N 2.298 122.585 120.200 0.144 0.000 2.279 257 E HA 0.745 5.095 4.350 -0.000 0.000 0.252 257 E C -1.330 175.325 176.600 0.091 0.000 0.894 257 E CA -0.176 56.285 56.400 0.102 0.000 0.785 257 E CB 1.882 31.634 29.700 0.087 0.000 1.237 257 E HN 1.068 nan 8.360 nan 0.000 0.418 258 A N 2.578 125.448 122.820 0.084 0.000 3.540 258 A HA 0.902 5.222 4.320 -0.000 0.000 0.180 258 A C 0.151 177.771 177.584 0.059 0.000 1.231 258 A CA -0.133 51.949 52.037 0.074 0.000 0.873 258 A CB 0.713 19.766 19.000 0.088 0.000 1.548 258 A HN 0.468 nan 8.150 nan 0.000 0.570 259 G N -1.616 107.218 108.800 0.056 0.000 2.372 259 G HA2 0.418 4.378 3.960 -0.000 0.000 0.323 259 G HA3 0.418 4.378 3.960 -0.000 0.000 0.323 259 G C 0.603 175.528 174.900 0.042 0.000 1.152 259 G CA 0.331 45.457 45.100 0.043 0.000 0.906 259 G HN 0.970 nan 8.290 nan 0.000 0.460 260 C N 2.129 121.444 119.300 0.026 0.000 2.393 260 C HA -0.124 4.336 4.460 -0.000 0.000 0.276 260 C C 2.536 177.531 174.990 0.009 0.000 1.215 260 C CA 2.093 61.117 59.018 0.009 0.000 1.743 260 C CB -0.572 27.165 27.740 -0.005 0.000 2.044 260 C HN 0.843 nan 8.230 nan 0.000 0.464 261 D N -0.075 120.332 120.400 0.012 0.000 2.289 261 D HA -0.063 4.577 4.640 -0.000 0.000 0.207 261 D C 1.860 178.178 176.300 0.029 0.000 0.966 261 D CA 0.546 54.553 54.000 0.012 0.000 0.868 261 D CB -0.850 39.953 40.800 0.005 0.000 0.943 261 D HN 0.384 nan 8.370 nan 0.000 0.514 262 L N 0.089 121.334 121.223 0.036 0.000 2.156 262 L HA 0.116 4.456 4.340 -0.000 0.000 0.208 262 L C 2.255 179.165 176.870 0.068 0.000 1.095 262 L CA 1.127 55.992 54.840 0.041 0.000 0.770 262 L CB -0.461 41.620 42.059 0.036 0.000 0.914 262 L HN 0.059 nan 8.230 nan 0.000 0.439 263 L N -1.487 119.798 121.223 0.104 0.000 2.179 263 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 263 L C 2.423 179.459 176.870 0.276 0.000 1.096 263 L CA 0.719 55.687 54.840 0.213 0.000 0.779 263 L CB -0.382 41.825 42.059 0.245 0.000 0.922 263 L HN 0.163 nan 8.230 nan 0.000 0.443 264 K N -0.195 120.284 120.400 0.131 0.000 2.009 264 K HA -0.234 4.085 4.320 -0.000 0.000 0.210 264 K C 2.112 178.780 176.600 0.114 0.000 1.049 264 K CA 1.519 57.860 56.287 0.089 0.000 0.929 264 K CB -0.182 32.327 32.500 0.016 0.000 0.714 264 K HN 0.339 nan 8.250 nan 0.000 0.440 265 Q N 0.225 120.070 119.800 0.074 0.000 1.927 265 Q HA -0.254 4.086 4.340 -0.000 0.000 0.210 265 Q C 2.261 178.293 176.000 0.053 0.000 1.001 265 Q CA 1.761 57.593 55.803 0.047 0.000 0.862 265 Q CB -0.456 28.298 28.738 0.026 0.000 0.934 265 Q HN 0.376 nan 8.270 nan 0.000 0.420 266 A N 0.909 123.750 122.820 0.036 0.000 1.887 266 A HA -0.292 4.028 4.320 -0.000 0.000 0.225 266 A C 1.870 179.410 177.584 -0.074 0.000 1.464 266 A CA 2.478 54.483 52.037 -0.053 0.000 0.717 266 A CB -1.507 17.426 19.000 -0.113 0.000 0.848 266 A HN 0.408 nan 8.150 nan 0.000 0.477 267 F N -0.237 119.713 119.950 -0.001 0.000 2.095 267 F HA -0.097 4.430 4.527 -0.000 0.000 0.298 267 F C 2.903 178.693 175.800 -0.017 0.000 1.104 267 F CA 1.394 59.393 58.000 -0.002 0.000 1.232 267 F CB -0.734 38.262 39.000 -0.007 0.000 0.987 267 F HN 0.312 nan 8.300 nan 0.000 0.475 268 A N 0.337 123.258 122.820 0.167 0.000 1.865 268 A HA -0.222 4.097 4.320 -0.000 0.000 0.217 268 A C 2.305 179.911 177.584 0.037 0.000 1.191 268 A CA 1.901 53.982 52.037 0.073 0.000 0.623 268 A CB -0.805 18.220 19.000 0.042 0.000 0.826 268 A HN 0.301 nan 8.150 nan 0.000 0.444 269 R N -0.773 119.740 120.500 0.021 0.000 2.113 269 R HA -0.170 4.170 4.340 -0.000 0.000 0.231 269 R C 2.526 178.818 176.300 -0.014 0.000 1.129 269 R CA 1.502 57.600 56.100 -0.004 0.000 0.915 269 R CB -0.761 29.529 30.300 -0.017 0.000 0.837 269 R HN 0.509 nan 8.270 nan 0.000 0.430 270 A N 1.201 124.003 122.820 -0.030 0.000 2.042 270 A HA -0.215 4.105 4.320 -0.000 0.000 0.222 270 A C 2.347 179.922 177.584 -0.016 0.000 1.167 270 A CA 1.916 53.928 52.037 -0.042 0.000 0.649 270 A CB -0.691 18.259 19.000 -0.083 0.000 0.809 270 A HN 0.513 nan 8.150 nan 0.000 0.457 271 A N -0.081 122.747 122.820 0.013 0.000 1.851 271 A HA 0.106 4.425 4.320 -0.000 0.000 0.216 271 A C 2.575 180.156 177.584 -0.006 0.000 1.195 271 A CA 2.446 54.493 52.037 0.016 0.000 0.622 271 A CB -1.255 17.763 19.000 0.031 0.000 0.831 271 A HN 1.176 nan 8.150 nan 0.000 0.444 272 A N -0.306 122.510 122.820 -0.007 0.000 1.902 272 A HA 0.159 4.479 4.320 -0.000 0.000 0.217 272 A C 2.482 180.054 177.584 -0.021 0.000 1.181 272 A CA 2.172 54.201 52.037 -0.014 0.000 0.623 272 A CB -1.128 17.865 19.000 -0.012 0.000 0.818 272 A HN 1.253 nan 8.150 nan 0.000 0.443 273 A N -0.761 122.045 122.820 -0.024 0.000 2.139 273 A HA 0.004 4.324 4.320 -0.000 0.000 0.221 273 A C 1.652 179.213 177.584 -0.039 0.000 1.159 273 A CA 1.414 53.432 52.037 -0.032 0.000 0.662 273 A CB -0.632 18.346 19.000 -0.037 0.000 0.796 273 A HN 0.520 nan 8.150 nan 0.000 0.463 274 S N 0.336 116.012 115.700 -0.039 0.000 2.409 274 S HA 0.252 4.722 4.470 -0.000 0.000 0.308 274 S C 0.896 175.467 174.600 -0.049 0.000 1.080 274 S CA -0.248 57.920 58.200 -0.053 0.000 1.081 274 S CB -0.269 62.898 63.200 -0.055 0.000 1.009 274 S HN 0.606 nan 8.310 nan 0.000 0.502 275 N N 3.988 122.657 118.700 -0.051 0.000 2.409 275 N HA -0.030 4.710 4.740 -0.000 0.000 0.179 275 N C 0.529 176.013 175.510 -0.044 0.000 1.032 275 N CA 0.319 53.345 53.050 -0.039 0.000 0.898 275 N CB 0.055 38.521 38.487 -0.035 0.000 0.971 275 N HN 0.685 nan 8.380 nan 0.000 0.441 276 E N 0.816 120.965 120.200 -0.084 0.000 2.884 276 E HA 0.155 4.505 4.350 -0.000 0.000 0.221 276 E C -0.096 176.404 176.600 -0.166 0.000 1.137 276 E CA -0.300 56.025 56.400 -0.125 0.000 1.160 276 E CB 0.045 29.612 29.700 -0.221 0.000 1.385 276 E HN 0.162 nan 8.360 nan 0.000 0.442 277 K N 0.533 120.900 120.400 -0.056 0.000 2.374 277 K HA -0.205 4.114 4.320 -0.000 0.000 0.202 277 K C 1.254 177.865 176.600 0.017 0.000 1.044 277 K CA 1.351 57.624 56.287 -0.023 0.000 0.933 277 K CB -0.323 32.183 32.500 0.010 0.000 0.745 277 K HN 0.458 nan 8.250 nan 0.000 0.474 278 F N -0.369 119.567 119.950 -0.023 0.000 2.811 278 F HA 0.172 4.699 4.527 -0.000 0.000 0.301 278 F C 1.261 177.051 175.800 -0.016 0.000 1.151 278 F CA -0.071 57.913 58.000 -0.026 0.000 1.412 278 F CB 0.128 39.114 39.000 -0.022 0.000 1.113 278 F HN -0.201 nan 8.300 nan 0.000 0.579 279 R N 1.445 121.727 120.500 -0.363 0.000 2.280 279 R HA 0.281 4.621 4.340 -0.000 0.000 0.195 279 R C 1.292 177.545 176.300 -0.077 0.000 0.935 279 R CA 0.597 56.521 56.100 -0.293 0.000 1.033 279 R CB -0.854 29.205 30.300 -0.401 0.000 0.964 279 R HN 0.525 nan 8.270 nan 0.000 0.489 280 G N 0.746 109.526 108.800 -0.034 0.000 2.806 280 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.236 280 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.236 280 G C -0.165 174.759 174.900 0.040 0.000 1.387 280 G CA -0.258 44.860 45.100 0.029 0.000 0.884 280 G HN 0.060 nan 8.290 nan 0.000 0.560 281 V N 0.481 120.467 119.914 0.120 0.000 2.904 281 V HA 0.691 4.811 4.120 -0.000 0.000 0.305 281 V C 0.940 177.084 176.094 0.084 0.000 1.067 281 V CA 0.149 62.518 62.300 0.115 0.000 1.044 281 V CB 1.683 33.666 31.823 0.266 0.000 1.050 281 V HN 0.919 nan 8.190 nan 0.000 0.475 282 R N 2.714 123.217 120.500 0.004 0.000 2.435 282 R HA 0.545 4.885 4.340 -0.000 0.000 0.308 282 R C -1.644 174.630 176.300 -0.044 0.000 0.975 282 R CA -0.557 55.530 56.100 -0.022 0.000 0.867 282 R CB 0.975 31.256 30.300 -0.032 0.000 1.171 282 R HN 0.714 nan 8.270 nan 0.000 0.470 283 L N 4.516 125.712 121.223 -0.045 0.000 2.307 283 L HA 0.389 4.729 4.340 -0.000 0.000 0.282 283 L C -0.974 175.890 176.870 -0.010 0.000 1.051 283 L CA -0.885 53.930 54.840 -0.042 0.000 0.804 283 L CB 1.309 43.377 42.059 0.015 0.000 1.197 283 L HN 0.637 nan 8.230 nan 0.000 0.431 284 Y N 4.135 124.356 120.300 -0.132 0.000 2.426 284 Y HA 0.448 4.998 4.550 -0.000 0.000 0.325 284 Y C -0.537 175.256 175.900 -0.178 0.000 0.989 284 Y CA -1.078 56.942 58.100 -0.133 0.000 1.284 284 Y CB 1.181 39.576 38.460 -0.108 0.000 1.104 284 Y HN 0.250 nan 8.280 nan 0.000 0.481 285 V N 3.237 122.760 119.914 -0.653 0.000 2.407 285 V HA 0.851 4.971 4.120 -0.000 0.000 0.278 285 V C -0.324 175.184 176.094 -0.977 0.000 1.037 285 V CA -0.262 61.556 62.300 -0.803 0.000 0.900 285 V CB 0.715 31.941 31.823 -0.994 0.000 0.983 285 V HN 0.770 nan 8.190 nan 0.000 0.459 286 S N 2.213 117.518 115.700 -0.658 0.000 2.549 286 S HA 0.505 4.975 4.470 -0.000 0.000 0.280 286 S C -0.503 174.100 174.600 0.005 0.000 1.109 286 S CA -0.801 57.230 58.200 -0.282 0.000 0.905 286 S CB 1.742 64.889 63.200 -0.089 0.000 1.081 286 S HN 0.768 nan 8.310 nan 0.000 0.477 287 E N 2.549 122.880 120.200 0.217 0.000 3.661 287 E HA -0.201 4.149 4.350 -0.000 0.000 0.262 287 E C 0.083 176.782 176.600 0.166 0.000 0.817 287 E CA 0.913 57.459 56.400 0.244 0.000 0.977 287 E CB -1.116 28.661 29.700 0.128 0.000 0.854 287 E HN 0.834 nan 8.360 nan 0.000 0.566 288 N N 2.718 121.548 118.700 0.217 0.000 2.699 288 N HA -0.284 4.456 4.740 -0.000 0.000 0.256 288 N C -0.044 175.510 175.510 0.074 0.000 0.993 288 N CA 0.659 53.792 53.050 0.138 0.000 0.759 288 N CB -0.365 38.180 38.487 0.097 0.000 0.906 288 N HN 0.577 nan 8.380 nan 0.000 0.541 289 Q N 0.573 120.391 119.800 0.030 0.000 2.403 289 Q HA 0.457 4.797 4.340 -0.000 0.000 0.267 289 Q C -2.221 173.744 176.000 -0.058 0.000 0.991 289 Q CA -0.735 55.071 55.803 0.004 0.000 0.906 289 Q CB 1.437 30.196 28.738 0.035 0.000 1.422 289 Q HN 0.228 nan 8.270 nan 0.000 0.400 290 L N 3.690 124.895 121.223 -0.030 0.000 2.388 290 L HA 0.488 4.828 4.340 -0.000 0.000 0.267 290 L C -1.498 175.363 176.870 -0.016 0.000 0.995 290 L CA -0.028 54.781 54.840 -0.051 0.000 0.864 290 L CB 1.225 43.256 42.059 -0.047 0.000 1.216 290 L HN 0.508 nan 8.230 nan 0.000 0.430 291 K N 6.313 126.740 120.400 0.044 0.000 2.206 291 K HA 0.360 4.680 4.320 -0.000 0.000 0.268 291 K C -0.418 176.169 176.600 -0.023 0.000 1.111 291 K CA -0.342 55.960 56.287 0.026 0.000 0.955 291 K CB 0.808 33.346 32.500 0.063 0.000 1.406 291 K HN 0.452 nan 8.250 nan 0.000 0.427 292 I N 3.408 123.914 120.570 -0.106 0.000 2.291 292 I HA 0.092 4.262 4.170 -0.000 0.000 0.292 292 I C -0.579 175.435 176.117 -0.171 0.000 1.064 292 I CA 0.433 61.613 61.300 -0.199 0.000 1.269 292 I CB 0.719 38.477 38.000 -0.404 0.000 1.418 292 I HN 0.416 nan 8.210 nan 0.000 0.485 293 T N 5.965 120.443 114.554 -0.128 0.000 2.829 293 T HA 0.655 5.005 4.350 -0.000 0.000 0.280 293 T C -0.037 174.609 174.700 -0.090 0.000 0.999 293 T CA -0.579 61.460 62.100 -0.103 0.000 0.983 293 T CB 1.091 69.907 68.868 -0.086 0.000 0.968 293 T HN 0.734 nan 8.240 nan 0.000 0.446 294 A N 4.588 127.361 122.820 -0.079 0.000 2.496 294 A HA 0.215 4.535 4.320 -0.000 0.000 0.278 294 A C 0.657 178.202 177.584 -0.065 0.000 1.137 294 A CA -0.151 51.849 52.037 -0.062 0.000 0.805 294 A CB -1.024 17.942 19.000 -0.057 0.000 1.077 294 A HN 0.944 nan 8.150 nan 0.000 0.513 295 N N 3.170 121.836 118.700 -0.056 0.000 2.394 295 N HA -0.092 4.648 4.740 -0.000 0.000 0.277 295 N C -0.262 175.192 175.510 -0.092 0.000 1.346 295 N CA 0.613 53.625 53.050 -0.063 0.000 0.910 295 N CB 0.096 38.556 38.487 -0.045 0.000 1.201 295 N HN 0.536 nan 8.380 nan 0.000 0.488 296 N N 4.741 123.387 118.700 -0.089 0.000 2.886 296 N HA 0.230 4.970 4.740 -0.000 0.000 0.285 296 N C -1.996 173.462 175.510 -0.087 0.000 1.706 296 N CA -1.810 51.177 53.050 -0.106 0.000 0.904 296 N CB 0.945 39.378 38.487 -0.090 0.000 1.224 296 N HN 0.439 nan 8.380 nan 0.000 0.488 297 P HA -0.236 nan 4.420 nan 0.000 0.233 297 P C -0.384 176.889 177.300 -0.045 0.000 1.100 297 P CA 1.748 64.814 63.100 -0.056 0.000 1.009 297 P CB 0.220 31.889 31.700 -0.052 0.000 0.759 298 E N -0.499 119.672 120.200 -0.048 0.000 2.341 298 E HA 0.235 4.585 4.350 -0.000 0.000 0.279 298 E C 0.280 176.856 176.600 -0.041 0.000 1.395 298 E CA -0.122 56.256 56.400 -0.036 0.000 1.648 298 E CB 0.002 29.687 29.700 -0.025 0.000 1.524 298 E HN 0.246 nan 8.360 nan 0.000 0.462 299 Q N 0.902 120.674 119.800 -0.046 0.000 2.994 299 Q HA 0.091 4.431 4.340 -0.000 0.000 0.287 299 Q C -1.870 174.099 176.000 -0.052 0.000 0.916 299 Q CA -0.624 55.150 55.803 -0.047 0.000 0.806 299 Q CB 1.264 29.971 28.738 -0.051 0.000 1.711 299 Q HN 0.130 nan 8.270 nan 0.000 0.477 300 E N 1.453 121.623 120.200 -0.050 0.000 2.343 300 E HA 0.280 4.630 4.350 -0.000 0.000 0.260 300 E C -1.333 175.235 176.600 -0.053 0.000 0.908 300 E CA -0.362 56.004 56.400 -0.056 0.000 0.814 300 E CB 1.727 31.393 29.700 -0.056 0.000 1.302 300 E HN 0.522 nan 8.360 nan 0.000 0.408 301 E N 1.160 121.326 120.200 -0.056 0.000 3.846 301 E HA 0.777 5.127 4.350 -0.000 0.000 0.262 301 E C -0.392 176.177 176.600 -0.051 0.000 0.786 301 E CA -1.110 55.260 56.400 -0.050 0.000 1.620 301 E CB 0.074 29.744 29.700 -0.049 0.000 1.928 301 E HN 0.322 nan 8.360 nan 0.000 0.410 302 A N 0.292 123.082 122.820 -0.049 0.000 2.305 302 A HA 0.563 4.883 4.320 -0.000 0.000 0.322 302 A C -0.427 177.124 177.584 -0.055 0.000 1.187 302 A CA -0.485 51.523 52.037 -0.048 0.000 0.825 302 A CB 0.263 19.238 19.000 -0.040 0.000 1.164 302 A HN 0.523 nan 8.150 nan 0.000 0.498 303 E N 1.108 121.273 120.200 -0.059 0.000 2.447 303 E HA 0.738 5.088 4.350 -0.000 0.000 0.258 303 E C -0.813 175.750 176.600 -0.062 0.000 0.916 303 E CA -0.879 55.480 56.400 -0.068 0.000 0.846 303 E CB 1.248 30.902 29.700 -0.077 0.000 1.517 303 E HN 0.566 nan 8.360 nan 0.000 0.418 304 E N 0.186 120.343 120.200 -0.071 0.000 2.340 304 E HA 0.456 4.806 4.350 -0.000 0.000 0.273 304 E C -1.585 174.982 176.600 -0.055 0.000 0.891 304 E CA -0.802 55.562 56.400 -0.059 0.000 0.757 304 E CB 1.656 31.318 29.700 -0.063 0.000 1.231 304 E HN 0.409 nan 8.360 nan 0.000 0.439 305 I N 2.812 123.361 120.570 -0.036 0.000 2.863 305 I HA 0.496 4.666 4.170 -0.000 0.000 0.311 305 I C -0.691 175.417 176.117 -0.016 0.000 1.026 305 I CA -0.671 60.615 61.300 -0.022 0.000 1.077 305 I CB 1.660 39.654 38.000 -0.010 0.000 1.262 305 I HN 0.527 nan 8.210 nan 0.000 0.461 306 L N 2.784 124.003 121.223 -0.007 0.000 2.472 306 L HA 0.407 4.747 4.340 -0.000 0.000 0.260 306 L C -1.484 175.395 176.870 0.015 0.000 0.963 306 L CA -0.820 54.023 54.840 0.005 0.000 0.829 306 L CB 2.315 44.378 42.059 0.008 0.000 1.348 306 L HN 0.436 nan 8.230 nan 0.000 0.408 307 D N 2.859 123.272 120.400 0.022 0.000 2.494 307 D HA 0.248 4.888 4.640 -0.000 0.000 0.217 307 D C -0.071 176.253 176.300 0.040 0.000 1.153 307 D CA 0.236 54.254 54.000 0.030 0.000 0.954 307 D CB 1.462 42.277 40.800 0.026 0.000 1.034 307 D HN 0.022 nan 8.370 nan 0.000 0.518 308 V N 1.347 121.291 119.914 0.050 0.000 3.302 308 V HA 0.445 4.565 4.120 -0.000 0.000 0.316 308 V C 0.006 176.156 176.094 0.094 0.000 1.111 308 V CA -0.391 61.951 62.300 0.071 0.000 1.029 308 V CB 2.127 33.996 31.823 0.075 0.000 1.170 308 V HN 0.362 nan 8.190 nan 0.000 0.452 309 T N 3.556 118.177 114.554 0.111 0.000 2.910 309 T HA 0.394 4.744 4.350 -0.000 0.000 0.323 309 T C -1.056 173.754 174.700 0.184 0.000 1.091 309 T CA 0.287 62.457 62.100 0.117 0.000 0.960 309 T CB -0.169 68.752 68.868 0.087 0.000 1.024 309 T HN 0.549 nan 8.240 nan 0.000 0.509 310 Y N 1.811 122.130 120.300 0.032 0.000 2.602 310 Y HA 0.730 5.280 4.550 -0.000 0.000 0.330 310 Y C -0.204 175.710 175.900 0.023 0.000 1.114 310 Y CA -1.178 56.942 58.100 0.032 0.000 1.182 310 Y CB 1.780 40.247 38.460 0.012 0.000 1.305 310 Y HN 0.519 nan 8.280 nan 0.000 0.502 311 S N 0.792 115.871 115.700 -1.035 0.000 2.542 311 S HA 0.688 5.158 4.470 -0.000 0.000 0.276 311 S C -0.819 173.162 174.600 -1.033 0.000 1.148 311 S CA -0.332 57.423 58.200 -0.741 0.000 0.886 311 S CB 1.413 64.387 63.200 -0.376 0.000 1.109 311 S HN 1.464 nan 8.310 nan 0.000 0.458 312 G N 1.032 109.524 108.800 -0.514 0.000 2.603 312 G HA2 0.458 4.418 3.960 -0.000 0.000 0.686 312 G HA3 0.458 4.418 3.960 -0.000 0.000 0.686 312 G C -0.107 174.748 174.900 -0.075 0.000 1.286 312 G CA -0.236 44.696 45.100 -0.280 0.000 0.871 312 G HN 1.421 nan 8.290 nan 0.000 0.568 313 A N -0.320 122.516 122.820 0.026 0.000 2.407 313 A HA 0.544 4.864 4.320 -0.000 0.000 0.257 313 A C 0.712 178.396 177.584 0.167 0.000 1.131 313 A CA 1.157 53.241 52.037 0.079 0.000 0.803 313 A CB 0.018 19.046 19.000 0.047 0.000 1.083 313 A HN 0.904 nan 8.150 nan 0.000 0.512 314 E N -0.686 119.548 120.200 0.057 0.000 2.242 314 E HA 0.567 4.917 4.350 -0.000 0.000 0.275 314 E C -0.370 176.146 176.600 -0.141 0.000 1.002 314 E CA -0.199 56.134 56.400 -0.112 0.000 0.841 314 E CB 1.376 30.997 29.700 -0.133 0.000 1.109 314 E HN 0.659 nan 8.360 nan 0.000 0.394 315 M N -0.568 118.843 119.600 -0.314 0.000 2.490 315 M HA 0.369 4.849 4.480 -0.000 0.000 0.286 315 M C -1.829 174.353 176.300 -0.197 0.000 1.185 315 M CA -0.930 54.273 55.300 -0.161 0.000 0.912 315 M CB 2.192 34.752 32.600 -0.067 0.000 1.744 315 M HN 0.370 nan 8.290 nan 0.000 0.494 316 E N 2.903 123.089 120.200 -0.023 0.000 2.155 316 E HA 0.743 5.093 4.350 -0.000 0.000 0.264 316 E C -1.655 174.910 176.600 -0.059 0.000 0.886 316 E CA -0.770 55.647 56.400 0.029 0.000 0.752 316 E CB 2.560 32.360 29.700 0.167 0.000 1.133 316 E HN 0.805 nan 8.360 nan 0.000 0.414 317 I N 2.630 123.112 120.570 -0.146 0.000 2.509 317 I HA 0.560 4.730 4.170 -0.000 0.000 0.293 317 I C -0.073 175.836 176.117 -0.347 0.000 1.020 317 I CA -0.833 60.309 61.300 -0.265 0.000 1.088 317 I CB 1.534 39.303 38.000 -0.385 0.000 1.267 317 I HN 0.765 nan 8.210 nan 0.000 0.430 318 G N 6.367 115.008 108.800 -0.265 0.000 2.415 318 G HA2 0.468 4.428 3.960 -0.000 0.000 0.269 318 G HA3 0.468 4.428 3.960 -0.000 0.000 0.269 318 G C -1.315 173.504 174.900 -0.136 0.000 1.209 318 G CA -0.273 44.742 45.100 -0.141 0.000 0.835 318 G HN 0.534 nan 8.290 nan 0.000 0.534 319 F N 1.090 121.114 119.950 0.125 0.000 2.561 319 F HA 0.244 4.771 4.527 -0.000 0.000 0.313 319 F C 0.226 176.090 175.800 0.106 0.000 1.126 319 F CA -1.372 56.717 58.000 0.149 0.000 0.918 319 F CB 2.366 41.503 39.000 0.229 0.000 1.199 319 F HN 0.372 nan 8.300 nan 0.000 0.444 320 N N 3.055 121.933 118.700 0.296 0.000 2.416 320 N HA 0.031 4.771 4.740 -0.000 0.000 0.265 320 N C 0.970 176.465 175.510 -0.025 0.000 1.195 320 N CA 0.127 53.187 53.050 0.017 0.000 0.943 320 N CB 1.339 39.671 38.487 -0.258 0.000 1.115 320 N HN 0.501 nan 8.380 nan 0.000 0.481 321 V N 3.906 123.828 119.914 0.013 0.000 2.236 321 V HA -0.360 3.760 4.120 -0.000 0.000 0.255 321 V C 2.294 178.326 176.094 -0.104 0.000 1.068 321 V CA 2.363 64.679 62.300 0.027 0.000 1.044 321 V CB -1.160 30.686 31.823 0.039 0.000 0.653 321 V HN 0.672 nan 8.190 nan 0.000 0.448 322 S N -0.959 114.643 115.700 -0.163 0.000 2.365 322 S HA -0.258 4.212 4.470 -0.000 0.000 0.221 322 S C 1.874 176.413 174.600 -0.102 0.000 1.037 322 S CA 2.111 60.210 58.200 -0.167 0.000 1.060 322 S CB -0.699 62.372 63.200 -0.215 0.000 0.974 322 S HN 0.548 nan 8.310 nan 0.000 0.427 323 Y N 1.774 122.009 120.300 -0.109 0.000 2.132 323 Y HA -0.169 4.381 4.550 -0.000 0.000 0.280 323 Y C 2.609 178.360 175.900 -0.248 0.000 1.193 323 Y CA 0.156 58.189 58.100 -0.112 0.000 1.157 323 Y CB -1.551 36.865 38.460 -0.073 0.000 0.966 323 Y HN 0.083 nan 8.280 nan 0.000 0.511 324 V N -0.473 119.309 119.914 -0.221 0.000 2.453 324 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 324 V C 2.415 178.226 176.094 -0.471 0.000 1.048 324 V CA 1.308 63.307 62.300 -0.500 0.000 1.049 324 V CB -0.809 30.467 31.823 -0.911 0.000 0.672 324 V HN 0.323 nan 8.190 nan 0.000 0.457 325 L N -0.142 120.858 121.223 -0.372 0.000 2.056 325 L HA -0.141 4.198 4.340 -0.000 0.000 0.207 325 L C 2.456 179.112 176.870 -0.357 0.000 1.078 325 L CA 1.463 56.115 54.840 -0.313 0.000 0.749 325 L CB -0.710 41.225 42.059 -0.208 0.000 0.901 325 L HN 0.337 nan 8.230 nan 0.000 0.433 326 D N -0.214 119.939 120.400 -0.411 0.000 2.123 326 D HA -0.171 4.469 4.640 -0.000 0.000 0.196 326 D C 2.295 178.048 176.300 -0.911 0.000 0.992 326 D CA 1.261 54.816 54.000 -0.742 0.000 0.833 326 D CB -0.309 39.928 40.800 -0.938 0.000 0.954 326 D HN 0.144 nan 8.370 nan 0.000 0.455 327 V N 1.413 120.953 119.914 -0.624 0.000 2.295 327 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 327 V C 2.686 178.474 176.094 -0.510 0.000 1.049 327 V CA 1.176 63.117 62.300 -0.599 0.000 1.024 327 V CB -0.539 31.038 31.823 -0.409 0.000 0.648 327 V HN 0.207 nan 8.190 nan 0.000 0.447 328 L N -0.090 120.906 121.223 -0.378 0.000 2.131 328 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 328 L C 2.202 178.936 176.870 -0.227 0.000 1.092 328 L CA 1.829 56.514 54.840 -0.258 0.000 0.759 328 L CB -0.815 41.115 42.059 -0.215 0.000 0.903 328 L HN 0.468 nan 8.230 nan 0.000 0.435 329 N N 0.026 118.556 118.700 -0.282 0.000 2.135 329 N HA -0.095 4.645 4.740 -0.000 0.000 0.186 329 N C 2.034 177.425 175.510 -0.199 0.000 1.027 329 N CA 0.953 53.868 53.050 -0.224 0.000 0.849 329 N CB -0.144 38.191 38.487 -0.253 0.000 1.002 329 N HN 0.251 nan 8.380 nan 0.000 0.425 330 A N 1.351 124.000 122.820 -0.285 0.000 1.948 330 A HA -0.095 4.225 4.320 -0.000 0.000 0.220 330 A C 1.081 178.634 177.584 -0.052 0.000 1.177 330 A CA 1.028 52.995 52.037 -0.117 0.000 0.636 330 A CB -0.712 18.269 19.000 -0.031 0.000 0.815 330 A HN 0.220 nan 8.150 nan 0.000 0.449 331 L N 0.640 121.788 121.223 -0.127 0.000 2.395 331 L HA 0.097 4.436 4.340 -0.000 0.000 0.268 331 L C 0.200 177.049 176.870 -0.034 0.000 1.223 331 L CA -0.265 54.553 54.840 -0.035 0.000 1.093 331 L CB 0.224 42.253 42.059 -0.050 0.000 1.349 331 L HN 0.279 nan 8.230 nan 0.000 0.427 332 K N 0.889 121.283 120.400 -0.011 0.000 2.773 332 K HA -0.004 4.316 4.320 -0.000 0.000 0.222 332 K C 0.773 177.371 176.600 -0.003 0.000 0.985 332 K CA -0.163 56.117 56.287 -0.012 0.000 1.126 332 K CB -0.586 31.913 32.500 -0.002 0.000 0.919 332 K HN 0.654 nan 8.250 nan 0.000 0.487 333 C N -1.505 117.796 119.300 0.000 0.000 2.596 333 C HA 0.367 4.827 4.460 -0.000 0.000 0.372 333 C C 1.510 176.502 174.990 0.005 0.000 1.881 333 C CA -0.736 58.287 59.018 0.008 0.000 1.902 333 C CB 1.051 28.802 27.740 0.018 0.000 1.922 333 C HN 0.280 nan 8.230 nan 0.000 0.495 334 E N 0.666 120.873 120.200 0.012 0.000 2.192 334 E HA 0.165 4.515 4.350 -0.000 0.000 0.196 334 E C -0.256 176.355 176.600 0.018 0.000 0.922 334 E CA 0.738 57.146 56.400 0.013 0.000 0.924 334 E CB -0.552 29.157 29.700 0.015 0.000 0.911 334 E HN 0.684 nan 8.360 nan 0.000 0.478 335 N N 0.512 119.226 118.700 0.023 0.000 2.400 335 N HA 0.311 5.051 4.740 -0.000 0.000 0.288 335 N C -1.080 174.450 175.510 0.033 0.000 1.024 335 N CA -0.245 52.824 53.050 0.031 0.000 0.894 335 N CB 2.374 40.882 38.487 0.034 0.000 1.173 335 N HN -0.203 nan 8.380 nan 0.000 0.487 336 V N 2.069 122.006 119.914 0.037 0.000 2.435 336 V HA 0.448 4.568 4.120 -0.000 0.000 0.290 336 V C 0.323 176.449 176.094 0.052 0.000 1.030 336 V CA -0.765 61.558 62.300 0.038 0.000 0.881 336 V CB 1.315 33.153 31.823 0.025 0.000 0.983 336 V HN 0.581 nan 8.190 nan 0.000 0.445 337 R N 4.317 124.847 120.500 0.049 0.000 2.598 337 R HA 0.825 5.165 4.340 -0.000 0.000 0.279 337 R C -0.806 175.519 176.300 0.043 0.000 0.984 337 R CA -0.572 55.558 56.100 0.049 0.000 0.999 337 R CB 1.456 31.777 30.300 0.036 0.000 1.114 337 R HN 0.775 nan 8.270 nan 0.000 0.493 338 M N 3.428 123.052 119.600 0.041 0.000 2.531 338 M HA 0.397 4.877 4.480 -0.000 0.000 0.286 338 M C -1.883 174.404 176.300 -0.021 0.000 1.232 338 M CA -0.737 54.589 55.300 0.042 0.000 0.877 338 M CB 2.510 35.175 32.600 0.109 0.000 1.726 338 M HN 0.624 nan 8.290 nan 0.000 0.463 339 M N 4.568 124.149 119.600 -0.032 0.000 2.106 339 M HA 0.463 4.943 4.480 -0.000 0.000 0.288 339 M C -1.599 174.728 176.300 0.045 0.000 0.941 339 M CA -0.252 54.983 55.300 -0.108 0.000 0.934 339 M CB 1.758 34.211 32.600 -0.245 0.000 1.551 339 M HN 0.471 nan 8.290 nan 0.000 0.437 340 L N 0.736 122.029 121.223 0.117 0.000 2.341 340 L HA 0.820 5.160 4.340 -0.000 0.000 0.267 340 L C 0.728 177.671 176.870 0.123 0.000 1.022 340 L CA -0.228 54.695 54.840 0.139 0.000 0.844 340 L CB 1.568 43.728 42.059 0.168 0.000 1.436 340 L HN 0.689 nan 8.230 nan 0.000 0.483 341 T N -2.610 112.005 114.554 0.101 0.000 3.511 341 T HA 0.187 4.537 4.350 -0.000 0.000 0.220 341 T C -1.020 173.717 174.700 0.062 0.000 0.962 341 T CA -0.021 62.127 62.100 0.079 0.000 1.099 341 T CB 0.418 69.325 68.868 0.065 0.000 1.197 341 T HN 0.522 nan 8.240 nan 0.000 0.343 342 D N 0.323 120.753 120.400 0.050 0.000 2.490 342 D HA 0.493 5.133 4.640 -0.000 0.000 0.232 342 D C 0.469 176.780 176.300 0.019 0.000 1.053 342 D CA -0.210 53.810 54.000 0.034 0.000 0.914 342 D CB 1.995 42.814 40.800 0.033 0.000 1.431 342 D HN 0.211 nan 8.370 nan 0.000 0.483 343 S N 0.030 115.731 115.700 0.002 0.000 2.575 343 S HA 0.069 4.539 4.470 -0.000 0.000 0.215 343 S C 0.828 175.420 174.600 -0.012 0.000 0.966 343 S CA 0.194 58.377 58.200 -0.028 0.000 0.911 343 S CB -0.246 62.936 63.200 -0.029 0.000 0.780 343 S HN 0.403 nan 8.310 nan 0.000 0.514 344 V N -0.885 119.039 119.914 0.017 0.000 3.070 344 V HA 0.590 4.710 4.120 -0.000 0.000 0.355 344 V C -0.331 175.793 176.094 0.050 0.000 1.400 344 V CA -0.048 62.273 62.300 0.034 0.000 1.170 344 V CB -0.576 31.266 31.823 0.031 0.000 1.169 344 V HN 0.508 nan 8.190 nan 0.000 0.554 345 S N -0.391 115.345 115.700 0.059 0.000 2.536 345 S HA 0.674 5.144 4.470 -0.000 0.000 0.271 345 S C -0.084 174.573 174.600 0.096 0.000 1.134 345 S CA 0.120 58.361 58.200 0.067 0.000 0.897 345 S CB 1.532 64.763 63.200 0.051 0.000 1.094 345 S HN 1.630 nan 8.310 nan 0.000 0.473 346 S N 1.505 117.263 115.700 0.097 0.000 2.631 346 S HA 0.195 4.665 4.470 -0.000 0.000 0.311 346 S C 0.191 174.869 174.600 0.130 0.000 1.254 346 S CA -0.363 57.905 58.200 0.114 0.000 1.039 346 S CB -0.541 62.702 63.200 0.071 0.000 0.753 346 S HN 1.128 nan 8.310 nan 0.000 0.494 347 V N 3.681 123.697 119.914 0.170 0.000 2.715 347 V HA 0.503 4.623 4.120 -0.000 0.000 0.310 347 V C 0.083 176.242 176.094 0.108 0.000 1.054 347 V CA -0.775 61.632 62.300 0.179 0.000 0.928 347 V CB 1.746 33.773 31.823 0.341 0.000 1.007 347 V HN 0.974 nan 8.190 nan 0.000 0.437 348 Q N 2.805 122.653 119.800 0.081 0.000 2.508 348 Q HA 0.490 4.830 4.340 -0.000 0.000 0.247 348 Q C -1.270 174.763 176.000 0.056 0.000 1.047 348 Q CA -0.600 55.236 55.803 0.056 0.000 0.783 348 Q CB 1.017 29.771 28.738 0.027 0.000 1.172 348 Q HN 0.656 nan 8.270 nan 0.000 0.515 349 I N 3.203 123.819 120.570 0.076 0.000 2.823 349 I HA 0.266 4.436 4.170 -0.000 0.000 0.290 349 I C 0.086 176.290 176.117 0.144 0.000 1.091 349 I CA 0.371 61.716 61.300 0.075 0.000 1.365 349 I CB 1.055 39.065 38.000 0.018 0.000 1.427 349 I HN 0.656 nan 8.210 nan 0.000 0.583 350 E N 1.617 121.890 120.200 0.121 0.000 2.405 350 E HA 0.222 4.572 4.350 -0.000 0.000 0.283 350 E C -1.714 174.942 176.600 0.093 0.000 1.140 350 E CA -0.960 55.530 56.400 0.150 0.000 0.904 350 E CB 0.435 30.186 29.700 0.085 0.000 1.209 350 E HN 0.418 nan 8.360 nan 0.000 0.428 351 D N 0.702 121.162 120.400 0.100 0.000 2.400 351 D HA 0.300 4.940 4.640 -0.000 0.000 0.238 351 D C 0.658 176.986 176.300 0.048 0.000 1.157 351 D CA 0.916 54.954 54.000 0.064 0.000 0.889 351 D CB 1.584 42.422 40.800 0.064 0.000 1.199 351 D HN 0.600 nan 8.370 nan 0.000 0.436 352 A N 3.487 126.332 122.820 0.040 0.000 1.850 352 A HA 0.209 4.529 4.320 -0.000 0.000 0.212 352 A C 2.152 179.755 177.584 0.032 0.000 1.208 352 A CA 1.405 53.464 52.037 0.037 0.000 0.609 352 A CB -1.232 17.792 19.000 0.039 0.000 0.860 352 A HN 0.701 nan 8.150 nan 0.000 0.448 353 A N -0.286 122.552 122.820 0.030 0.000 1.971 353 A HA -0.025 4.295 4.320 -0.000 0.000 0.222 353 A C 1.668 179.266 177.584 0.023 0.000 1.182 353 A CA 2.357 54.410 52.037 0.025 0.000 0.649 353 A CB -0.760 18.254 19.000 0.024 0.000 0.818 353 A HN 1.318 nan 8.150 nan 0.000 0.458 354 S N -3.738 111.977 115.700 0.025 0.000 2.806 354 S HA 0.595 5.065 4.470 -0.000 0.000 0.306 354 S C -0.238 174.372 174.600 0.017 0.000 1.167 354 S CA -0.221 57.990 58.200 0.019 0.000 0.847 354 S CB 1.229 64.439 63.200 0.018 0.000 1.216 354 S HN 0.288 nan 8.310 nan 0.000 0.532 355 Q N -0.023 119.781 119.800 0.006 0.000 2.103 355 Q HA 0.281 4.621 4.340 -0.000 0.000 0.219 355 Q C 1.149 177.132 176.000 -0.028 0.000 0.784 355 Q CA -0.069 55.731 55.803 -0.006 0.000 1.014 355 Q CB 0.714 29.451 28.738 -0.003 0.000 1.183 355 Q HN 0.671 nan 8.270 nan 0.000 0.469 356 S N 1.386 117.072 115.700 -0.023 0.000 2.372 356 S HA -0.150 4.320 4.470 -0.000 0.000 0.227 356 S C 0.956 175.502 174.600 -0.090 0.000 1.044 356 S CA 1.497 59.671 58.200 -0.044 0.000 1.050 356 S CB 0.010 63.196 63.200 -0.023 0.000 0.901 356 S HN 0.492 nan 8.310 nan 0.000 0.447 357 A N -0.125 122.643 122.820 -0.086 0.000 2.386 357 A HA 0.877 5.197 4.320 -0.000 0.000 0.308 357 A C -0.690 176.750 177.584 -0.240 0.000 1.128 357 A CA -0.218 51.698 52.037 -0.202 0.000 0.789 357 A CB 1.592 20.508 19.000 -0.140 0.000 1.325 357 A HN 0.607 nan 8.150 nan 0.000 0.437 358 A N 0.114 122.633 122.820 -0.502 0.000 2.517 358 A HA 0.712 5.032 4.320 -0.000 0.000 0.297 358 A C -1.726 175.466 177.584 -0.653 0.000 1.050 358 A CA -0.399 51.421 52.037 -0.363 0.000 0.694 358 A CB 0.729 19.621 19.000 -0.180 0.000 1.277 358 A HN 0.859 nan 8.150 nan 0.000 0.400 359 Y N -0.108 120.178 120.300 -0.024 0.000 2.598 359 Y HA 0.733 5.283 4.550 -0.000 0.000 0.340 359 Y C -0.004 175.882 175.900 -0.022 0.000 1.038 359 Y CA -1.103 56.982 58.100 -0.025 0.000 1.100 359 Y CB 2.369 40.839 38.460 0.017 0.000 1.281 359 Y HN 0.453 nan 8.280 nan 0.000 0.488 360 V N 2.277 122.255 119.914 0.106 0.000 2.668 360 V HA 0.540 4.659 4.120 -0.000 0.000 0.304 360 V C -1.275 174.841 176.094 0.035 0.000 1.071 360 V CA -0.819 61.516 62.300 0.058 0.000 0.894 360 V CB 1.905 33.747 31.823 0.031 0.000 1.008 360 V HN 0.537 nan 8.190 nan 0.000 0.425 361 V N 4.958 124.889 119.914 0.029 0.000 2.531 361 V HA 0.508 4.628 4.120 -0.000 0.000 0.301 361 V C -0.006 176.161 176.094 0.122 0.000 1.034 361 V CA -0.702 61.600 62.300 0.003 0.000 0.865 361 V CB 2.018 33.764 31.823 -0.128 0.000 0.995 361 V HN 0.745 nan 8.190 nan 0.000 0.424 362 M N 7.328 127.011 119.600 0.138 0.000 2.200 362 M HA 0.333 4.813 4.480 -0.000 0.000 0.355 362 M C -1.993 174.526 176.300 0.364 0.000 1.283 362 M CA -2.048 53.382 55.300 0.216 0.000 1.124 362 M CB 1.162 33.869 32.600 0.178 0.000 1.625 362 M HN 0.431 nan 8.290 nan 0.000 0.463 363 P HA 0.170 nan 4.420 nan 0.000 0.275 363 P C -0.863 176.602 177.300 0.274 0.000 1.270 363 P CA -0.378 62.962 63.100 0.400 0.000 0.791 363 P CB 0.909 32.647 31.700 0.064 0.000 1.089 364 M N -0.333 119.388 119.600 0.202 0.000 2.664 364 M HA 0.378 4.858 4.480 -0.000 0.000 0.314 364 M C 0.076 176.429 176.300 0.088 0.000 1.200 364 M CA -1.145 54.250 55.300 0.158 0.000 0.916 364 M CB 2.254 34.958 32.600 0.173 0.000 1.717 364 M HN 0.173 nan 8.290 nan 0.000 0.470 365 R N 2.919 123.471 120.500 0.088 0.000 2.446 365 R HA 0.223 4.563 4.340 -0.000 0.000 0.314 365 R C -1.132 175.200 176.300 0.054 0.000 1.003 365 R CA -0.175 55.964 56.100 0.065 0.000 1.018 365 R CB -0.026 30.317 30.300 0.072 0.000 0.945 365 R HN 0.629 nan 8.270 nan 0.000 0.419 366 L N 0.000 121.241 121.223 0.030 0.000 2.949 366 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 366 L CA 0.000 54.849 54.840 0.016 0.000 0.813 366 L CB 0.000 42.058 42.059 -0.002 0.000 0.961 366 L HN 0.000 nan 8.230 nan 0.000 0.502