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 1wnb_1_A DATA FIRST_RESID 1 DATA SEQUENCE MQHKLLINGE LVSGEGEKQP VYNPATGDVL LEIAEASAEQ VDAAVRAADA DATA SEQUENCE AFAEWGQTTP KVRAECLLKL ADVIEENGQV FAELESRNCG KPLHSAFNDE DATA SEQUENCE IPAIVDVFRF FAGAARCLNG LAAGEYLEGH TSMIRRDPLG VVASIAPWNY DATA SEQUENCE PLMMAAWKLA PALAAGNCVV LKPSEITPLT ALKLAELAKD IFPAGVVNIL DATA SEQUENCE FGRGKTVGDP LTGHPKVRMV SLTGSIATGE HIISHTASSI KRTHMELGGK DATA SEQUENCE APVIVFDDAD IEAVVEGVRT FGYYNAGQDC TAACRIYAQK GIYDTLVEKL DATA SEQUENCE GAAVATLKSG APDDESTELG PLSSLAHLER VGKAVEEAKA TGHIKVITGG DATA SEQUENCE EKRKGNGYYY APTLLAGALQ DDAIVQKEVF GPVVSVTPFD NEEQVVNWAN DATA SEQUENCE DSQYGLASSV WTKDVGRAHR VSARLQYGCT WVNTHFMLVS EMPHGGQKLS DATA SEQUENCE GYGKDMSLYG LEDYTVVRHV MVKH 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 0.000 176.348 176.300 0.079 0.000 1.140 1 M CA 0.000 55.321 55.300 0.035 0.000 0.988 1 M CB 0.000 32.621 32.600 0.035 0.000 1.302 2 Q N 3.828 123.630 119.800 0.003 0.000 2.271 2 Q HA 0.152 4.491 4.340 -0.000 0.000 0.273 2 Q C 0.645 176.611 176.000 -0.057 0.000 1.051 2 Q CA 0.969 56.732 55.803 -0.067 0.000 0.901 2 Q CB 0.261 28.953 28.738 -0.075 0.000 1.174 2 Q HN 0.612 nan 8.270 nan 0.000 0.385 3 H N 0.189 119.215 119.070 -0.073 0.000 3.398 3 H HA 0.325 4.880 4.556 -0.000 0.000 0.260 3 H C -0.535 174.740 175.328 -0.090 0.000 1.189 3 H CA -0.375 55.603 56.048 -0.117 0.000 1.145 3 H CB 0.974 30.660 29.762 -0.127 0.000 1.599 3 H HN 0.239 nan 8.280 nan 0.000 0.615 4 K N 1.989 122.212 120.400 -0.295 0.000 2.144 4 K HA 0.424 4.744 4.320 -0.000 0.000 0.270 4 K C -0.004 176.568 176.600 -0.047 0.000 1.005 4 K CA -0.630 55.566 56.287 -0.152 0.000 0.932 4 K CB 2.195 34.574 32.500 -0.202 0.000 1.021 4 K HN 0.020 nan 8.250 nan 0.000 0.462 5 L N 2.215 123.443 121.223 0.007 0.000 2.418 5 L HA 0.309 4.649 4.340 -0.000 0.000 0.265 5 L C 0.140 177.018 176.870 0.013 0.000 1.143 5 L CA -0.669 54.193 54.840 0.036 0.000 0.809 5 L CB 0.194 42.291 42.059 0.063 0.000 1.124 5 L HN 0.402 nan 8.230 nan 0.000 0.456 6 L N 3.890 125.124 121.223 0.018 0.000 2.262 6 L HA 0.538 4.877 4.340 -0.000 0.000 0.288 6 L C -0.837 176.034 176.870 0.003 0.000 1.035 6 L CA -0.223 54.620 54.840 0.005 0.000 0.820 6 L CB 0.725 42.786 42.059 0.003 0.000 1.204 6 L HN 0.554 nan 8.230 nan 0.000 0.424 7 I N 4.706 125.277 120.570 0.002 0.000 2.499 7 I HA 0.249 4.419 4.170 -0.000 0.000 0.288 7 I C 0.130 176.245 176.117 -0.003 0.000 1.048 7 I CA -0.726 60.574 61.300 0.000 0.000 1.062 7 I CB 1.710 39.717 38.000 0.011 0.000 1.238 7 I HN 0.594 nan 8.210 nan 0.000 0.426 8 N N 4.883 123.577 118.700 -0.011 0.000 2.699 8 N HA -0.213 4.527 4.740 -0.000 0.000 0.256 8 N C 0.859 176.367 175.510 -0.003 0.000 0.993 8 N CA 1.435 54.480 53.050 -0.008 0.000 0.759 8 N CB -0.593 37.895 38.487 0.001 0.000 0.906 8 N HN 1.129 nan 8.380 nan 0.000 0.541 9 G N -1.514 107.282 108.800 -0.007 0.000 2.184 9 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.264 9 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.264 9 G C -0.359 174.541 174.900 -0.000 0.000 0.975 9 G CA 0.645 45.744 45.100 -0.001 0.000 0.642 9 G HN 0.519 nan 8.290 nan 0.000 0.536 10 E N -0.209 119.990 120.200 -0.001 0.000 2.199 10 E HA 0.564 4.914 4.350 -0.000 0.000 0.269 10 E C 0.197 176.794 176.600 -0.006 0.000 0.899 10 E CA -0.778 55.621 56.400 -0.002 0.000 0.772 10 E CB 1.524 31.225 29.700 0.002 0.000 1.155 10 E HN 0.285 nan 8.360 nan 0.000 0.408 11 L N 2.653 123.868 121.223 -0.014 0.000 2.283 11 L HA 0.304 4.644 4.340 -0.000 0.000 0.287 11 L C 0.050 176.907 176.870 -0.023 0.000 1.073 11 L CA -0.796 54.028 54.840 -0.027 0.000 0.822 11 L CB 0.342 42.372 42.059 -0.048 0.000 1.186 11 L HN 0.206 nan 8.230 nan 0.000 0.436 12 V N -0.152 119.756 119.914 -0.011 0.000 2.735 12 V HA 0.545 4.665 4.120 -0.000 0.000 0.310 12 V C 0.193 176.300 176.094 0.022 0.000 1.061 12 V CA -0.758 61.546 62.300 0.007 0.000 0.913 12 V CB 1.687 33.522 31.823 0.020 0.000 1.005 12 V HN 0.599 nan 8.190 nan 0.000 0.428 13 S N 2.300 118.026 115.700 0.044 0.000 2.564 13 S HA 0.509 4.979 4.470 -0.000 0.000 0.278 13 S C 0.811 175.459 174.600 0.080 0.000 1.333 13 S CA 0.273 58.523 58.200 0.084 0.000 1.048 13 S CB 1.027 64.287 63.200 0.100 0.000 0.900 13 S HN 1.467 nan 8.310 nan 0.000 0.505 14 G N 1.262 110.124 108.800 0.103 0.000 2.432 14 G HA2 0.169 4.129 3.960 -0.000 0.000 0.239 14 G HA3 0.169 4.129 3.960 -0.000 0.000 0.239 14 G C 0.113 175.063 174.900 0.085 0.000 1.291 14 G CA -0.317 44.848 45.100 0.109 0.000 0.863 14 G HN 0.827 nan 8.290 nan 0.000 0.560 15 E N 0.977 121.220 120.200 0.072 0.000 2.498 15 E HA 0.177 4.527 4.350 -0.000 0.000 0.203 15 E C 1.641 178.273 176.600 0.053 0.000 1.013 15 E CA -0.014 56.420 56.400 0.056 0.000 0.927 15 E CB 0.767 30.494 29.700 0.045 0.000 1.012 15 E HN 0.569 nan 8.360 nan 0.000 0.482 16 G N 0.722 109.561 108.800 0.065 0.000 2.531 16 G HA2 0.078 4.037 3.960 -0.000 0.000 0.253 16 G HA3 0.078 4.037 3.960 -0.000 0.000 0.253 16 G C -0.411 174.527 174.900 0.063 0.000 1.439 16 G CA -0.510 44.624 45.100 0.057 0.000 1.056 16 G HN 0.065 nan 8.290 nan 0.000 0.555 17 E N 0.205 120.441 120.200 0.059 0.000 2.316 17 E HA 0.152 4.502 4.350 -0.000 0.000 0.275 17 E C 0.016 176.671 176.600 0.091 0.000 1.029 17 E CA -0.247 56.188 56.400 0.058 0.000 0.871 17 E CB 0.481 30.205 29.700 0.040 0.000 1.022 17 E HN 0.160 nan 8.360 nan 0.000 0.418 18 K N 2.983 123.427 120.400 0.073 0.000 2.414 18 K HA 0.022 4.342 4.320 -0.000 0.000 0.272 18 K C -0.188 176.472 176.600 0.100 0.000 0.993 18 K CA 0.377 56.712 56.287 0.080 0.000 0.964 18 K CB 0.566 33.083 32.500 0.029 0.000 0.925 18 K HN 0.462 nan 8.250 nan 0.000 0.487 19 Q N 1.641 121.528 119.800 0.145 0.000 2.377 19 Q HA 0.363 4.703 4.340 -0.000 0.000 0.279 19 Q C -2.646 173.409 176.000 0.091 0.000 1.049 19 Q CA -2.063 53.828 55.803 0.147 0.000 0.825 19 Q CB 2.099 30.980 28.738 0.239 0.000 1.401 19 Q HN 0.395 nan 8.270 nan 0.000 0.404 20 P HA 0.282 nan 4.420 nan 0.000 0.285 20 P C -0.623 176.588 177.300 -0.148 0.000 1.259 20 P CA -0.365 62.632 63.100 -0.172 0.000 0.794 20 P CB 0.950 32.458 31.700 -0.321 0.000 0.940 21 V N 4.603 124.394 119.914 -0.205 0.000 2.459 21 V HA 0.352 4.472 4.120 -0.000 0.000 0.295 21 V C -0.374 175.613 176.094 -0.178 0.000 1.029 21 V CA -0.440 61.808 62.300 -0.087 0.000 0.874 21 V CB 0.720 32.530 31.823 -0.022 0.000 0.985 21 V HN 0.424 nan 8.190 nan 0.000 0.438 22 Y N 2.078 122.415 120.300 0.062 0.000 2.496 22 Y HA 0.364 4.914 4.550 -0.000 0.000 0.331 22 Y C 0.588 176.513 175.900 0.041 0.000 1.140 22 Y CA -0.567 57.571 58.100 0.062 0.000 1.166 22 Y CB 1.382 39.916 38.460 0.123 0.000 1.249 22 Y HN 0.632 nan 8.280 nan 0.000 0.479 23 N N 3.191 122.007 118.700 0.193 0.000 2.406 23 N HA 0.183 4.923 4.740 -0.000 0.000 0.251 23 N C -2.056 173.447 175.510 -0.010 0.000 1.069 23 N CA -1.766 51.330 53.050 0.076 0.000 0.947 23 N CB 0.999 39.506 38.487 0.033 0.000 1.111 23 N HN 0.277 nan 8.380 nan 0.000 0.497 24 P HA -0.042 nan 4.420 nan 0.000 0.226 24 P C 0.511 177.572 177.300 -0.398 0.000 1.153 24 P CA 0.583 63.559 63.100 -0.207 0.000 0.777 24 P CB 0.235 31.920 31.700 -0.024 0.000 0.794 25 A N -0.089 122.611 122.820 -0.200 0.000 1.975 25 A HA -0.044 4.275 4.320 -0.000 0.000 0.215 25 A C 2.066 179.639 177.584 -0.018 0.000 1.170 25 A CA 2.052 54.050 52.037 -0.065 0.000 0.656 25 A CB -1.348 17.681 19.000 0.049 0.000 0.821 25 A HN 0.340 nan 8.150 nan 0.000 0.449 26 T N -6.019 108.475 114.554 -0.100 0.000 2.971 26 T HA 0.423 4.773 4.350 -0.000 0.000 0.252 26 T C 1.500 176.110 174.700 -0.151 0.000 1.022 26 T CA 1.115 63.169 62.100 -0.077 0.000 0.980 26 T CB 0.403 69.256 68.868 -0.025 0.000 1.044 26 T HN 1.608 nan 8.240 nan 0.000 0.501 27 G N 1.561 110.187 108.800 -0.290 0.000 2.205 27 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.261 27 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.261 27 G C -0.241 174.704 174.900 0.075 0.000 0.980 27 G CA 0.143 45.083 45.100 -0.267 0.000 0.632 27 G HN 0.599 nan 8.290 nan 0.000 0.533 28 D N 0.217 120.668 120.400 0.084 0.000 2.382 28 D HA 0.402 5.042 4.640 -0.000 0.000 0.240 28 D C 0.947 177.370 176.300 0.204 0.000 1.146 28 D CA -0.113 53.967 54.000 0.133 0.000 0.897 28 D CB 1.365 42.197 40.800 0.052 0.000 1.197 28 D HN 0.158 nan 8.370 nan 0.000 0.432 29 V N 3.381 123.345 119.914 0.082 0.000 2.521 29 V HA 0.011 4.131 4.120 -0.000 0.000 0.286 29 V C 1.537 177.576 176.094 -0.093 0.000 1.034 29 V CA 0.056 62.261 62.300 -0.159 0.000 1.045 29 V CB 0.914 32.610 31.823 -0.211 0.000 0.974 29 V HN 0.464 nan 8.190 nan 0.000 0.480 30 L N 5.163 126.321 121.223 -0.107 0.000 2.130 30 L HA 0.168 4.507 4.340 -0.000 0.000 0.200 30 L C 0.159 176.978 176.870 -0.085 0.000 1.075 30 L CA 0.940 55.743 54.840 -0.063 0.000 0.768 30 L CB 0.163 42.203 42.059 -0.032 0.000 0.933 30 L HN 0.646 nan 8.230 nan 0.000 0.451 31 L N -4.726 116.423 121.223 -0.122 0.000 3.041 31 L HA 0.494 4.834 4.340 -0.000 0.000 0.278 31 L C -1.269 175.507 176.870 -0.156 0.000 1.051 31 L CA -1.264 53.498 54.840 -0.130 0.000 0.957 31 L CB 1.066 43.055 42.059 -0.116 0.000 1.538 31 L HN -0.162 nan 8.230 nan 0.000 0.393 32 E N 0.784 120.896 120.200 -0.146 0.000 2.199 32 E HA 0.783 5.132 4.350 -0.000 0.000 0.269 32 E C -1.172 175.337 176.600 -0.152 0.000 0.899 32 E CA -0.589 55.737 56.400 -0.124 0.000 0.772 32 E CB 2.824 32.468 29.700 -0.093 0.000 1.155 32 E HN 0.541 nan 8.360 nan 0.000 0.408 33 I N 1.523 122.005 120.570 -0.147 0.000 2.533 33 I HA 0.344 4.513 4.170 -0.000 0.000 0.290 33 I C -0.277 175.846 176.117 0.010 0.000 1.056 33 I CA -0.998 60.158 61.300 -0.240 0.000 1.057 33 I CB 1.996 39.524 38.000 -0.787 0.000 1.240 33 I HN 0.497 nan 8.210 nan 0.000 0.423 34 A N 5.811 128.662 122.820 0.053 0.000 2.451 34 A HA 0.264 4.584 4.320 -0.000 0.000 0.266 34 A C 0.302 178.073 177.584 0.313 0.000 1.119 34 A CA -0.224 51.905 52.037 0.153 0.000 0.786 34 A CB -0.041 19.014 19.000 0.092 0.000 1.061 34 A HN 0.770 nan 8.150 nan 0.000 0.503 35 E N 1.152 121.556 120.200 0.342 0.000 2.438 35 E HA 0.246 4.595 4.350 -0.000 0.000 0.261 35 E C 0.683 177.393 176.600 0.183 0.000 1.103 35 E CA 0.316 56.885 56.400 0.281 0.000 0.959 35 E CB 0.467 30.207 29.700 0.066 0.000 0.958 35 E HN 0.806 nan 8.360 nan 0.000 0.447 36 A N 2.144 125.052 122.820 0.147 0.000 2.511 36 A HA 0.115 4.435 4.320 -0.000 0.000 0.242 36 A C 0.419 178.041 177.584 0.064 0.000 1.069 36 A CA -0.043 52.052 52.037 0.096 0.000 0.763 36 A CB 0.100 19.148 19.000 0.080 0.000 1.001 36 A HN 0.571 nan 8.150 nan 0.000 0.498 37 S N 1.856 117.592 115.700 0.059 0.000 2.614 37 S HA 0.487 4.957 4.470 -0.000 0.000 0.265 37 S C 1.399 176.025 174.600 0.044 0.000 1.303 37 S CA -0.146 58.082 58.200 0.047 0.000 1.000 37 S CB 1.066 64.293 63.200 0.044 0.000 0.935 37 S HN 1.703 nan 8.310 nan 0.000 0.551 38 A N 1.112 123.955 122.820 0.039 0.000 1.903 38 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 38 A C 2.071 179.687 177.584 0.052 0.000 1.191 38 A CA 2.092 54.155 52.037 0.043 0.000 0.638 38 A CB -1.339 17.681 19.000 0.035 0.000 0.823 38 A HN 0.968 nan 8.150 nan 0.000 0.451 39 E N -0.519 119.709 120.200 0.046 0.000 2.051 39 E HA -0.218 4.132 4.350 -0.000 0.000 0.192 39 E C 2.322 178.954 176.600 0.054 0.000 0.991 39 E CA 1.445 57.874 56.400 0.049 0.000 0.799 39 E CB -0.219 29.504 29.700 0.040 0.000 0.748 39 E HN 0.758 nan 8.360 nan 0.000 0.449 40 Q N 0.250 120.080 119.800 0.050 0.000 2.124 40 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 40 Q C 2.355 178.386 176.000 0.051 0.000 0.977 40 Q CA 1.287 57.119 55.803 0.048 0.000 0.850 40 Q CB -0.047 28.721 28.738 0.050 0.000 0.901 40 Q HN 0.171 nan 8.270 nan 0.000 0.429 41 V N 1.265 121.215 119.914 0.060 0.000 2.343 41 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 41 V C 1.846 177.992 176.094 0.087 0.000 1.051 41 V CA 2.166 64.507 62.300 0.067 0.000 1.036 41 V CB -0.541 31.328 31.823 0.078 0.000 0.654 41 V HN 0.400 nan 8.190 nan 0.000 0.451 42 D N 0.076 120.547 120.400 0.119 0.000 2.123 42 D HA -0.076 4.564 4.640 -0.000 0.000 0.200 42 D C 2.116 178.474 176.300 0.097 0.000 0.976 42 D CA 1.268 55.377 54.000 0.182 0.000 0.831 42 D CB -0.141 40.764 40.800 0.175 0.000 0.974 42 D HN 0.336 nan 8.370 nan 0.000 0.469 43 A N 0.634 123.491 122.820 0.062 0.000 1.908 43 A HA -0.018 4.302 4.320 -0.000 0.000 0.218 43 A C 2.393 179.979 177.584 0.004 0.000 1.181 43 A CA 2.237 54.294 52.037 0.034 0.000 0.627 43 A CB -1.158 17.861 19.000 0.033 0.000 0.818 43 A HN 0.337 nan 8.150 nan 0.000 0.445 44 A N -0.572 122.247 122.820 -0.001 0.000 1.883 44 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 44 A C 2.234 179.776 177.584 -0.071 0.000 1.186 44 A CA 1.960 53.983 52.037 -0.025 0.000 0.624 44 A CB -0.981 18.011 19.000 -0.013 0.000 0.822 44 A HN 0.453 nan 8.150 nan 0.000 0.444 45 V N -0.108 119.727 119.914 -0.132 0.000 2.427 45 V HA -0.230 3.889 4.120 -0.000 0.000 0.248 45 V C 2.579 178.535 176.094 -0.230 0.000 1.051 45 V CA 2.038 64.178 62.300 -0.267 0.000 1.048 45 V CB -0.864 30.583 31.823 -0.627 0.000 0.666 45 V HN 0.496 nan 8.190 nan 0.000 0.456 46 R N 0.251 120.659 120.500 -0.153 0.000 2.105 46 R HA -0.144 4.196 4.340 -0.000 0.000 0.239 46 R C 2.432 178.719 176.300 -0.021 0.000 1.135 46 R CA 1.526 57.596 56.100 -0.051 0.000 0.967 46 R CB -0.559 29.751 30.300 0.017 0.000 0.861 46 R HN 0.546 nan 8.270 nan 0.000 0.442 47 A N 1.003 123.809 122.820 -0.023 0.000 1.898 47 A HA -0.061 4.258 4.320 -0.000 0.000 0.216 47 A C 2.321 179.903 177.584 -0.004 0.000 1.181 47 A CA 1.569 53.603 52.037 -0.006 0.000 0.620 47 A CB -0.467 18.526 19.000 -0.011 0.000 0.819 47 A HN 0.391 nan 8.150 nan 0.000 0.442 48 A N -0.140 122.662 122.820 -0.030 0.000 1.929 48 A HA -0.117 4.202 4.320 -0.000 0.000 0.216 48 A C 1.802 179.408 177.584 0.036 0.000 1.176 48 A CA 1.953 53.976 52.037 -0.022 0.000 0.628 48 A CB -0.633 18.326 19.000 -0.069 0.000 0.816 48 A HN 0.540 nan 8.150 nan 0.000 0.444 49 D N -0.074 120.330 120.400 0.007 0.000 2.123 49 D HA -0.062 4.577 4.640 -0.000 0.000 0.196 49 D C 1.955 178.339 176.300 0.139 0.000 0.992 49 D CA 1.705 55.742 54.000 0.062 0.000 0.833 49 D CB -0.141 40.668 40.800 0.014 0.000 0.954 49 D HN 0.334 nan 8.370 nan 0.000 0.455 50 A N 0.163 123.037 122.820 0.091 0.000 1.930 50 A HA 0.213 4.532 4.320 -0.000 0.000 0.215 50 A C 2.307 179.960 177.584 0.115 0.000 1.176 50 A CA 1.529 53.622 52.037 0.094 0.000 0.632 50 A CB -0.828 18.208 19.000 0.060 0.000 0.819 50 A HN 0.298 nan 8.150 nan 0.000 0.445 51 A N -1.273 121.617 122.820 0.116 0.000 2.070 51 A HA -0.033 4.287 4.320 -0.000 0.000 0.220 51 A C 1.881 179.610 177.584 0.242 0.000 1.159 51 A CA 1.424 53.543 52.037 0.138 0.000 0.656 51 A CB -0.684 18.363 19.000 0.078 0.000 0.800 51 A HN 0.624 nan 8.150 nan 0.000 0.453 52 F N 1.114 121.129 119.950 0.107 0.000 2.234 52 F HA -0.006 4.521 4.527 -0.000 0.000 0.299 52 F C 2.410 178.291 175.800 0.135 0.000 1.087 52 F CA 0.511 58.603 58.000 0.154 0.000 1.340 52 F CB -0.633 38.430 39.000 0.104 0.000 1.031 52 F HN 0.275 nan 8.300 nan 0.000 0.500 53 A N 0.314 123.120 122.820 -0.025 0.000 1.881 53 A HA -0.306 4.014 4.320 -0.000 0.000 0.219 53 A C 2.205 179.702 177.584 -0.145 0.000 1.215 53 A CA 2.474 54.439 52.037 -0.120 0.000 0.648 53 A CB -1.012 17.984 19.000 -0.006 0.000 0.832 53 A HN 0.572 nan 8.150 nan 0.000 0.455 54 E N -2.142 118.043 120.200 -0.024 0.000 2.086 54 E HA -0.107 4.243 4.350 -0.000 0.000 0.190 54 E C 1.956 178.575 176.600 0.031 0.000 0.975 54 E CA 0.520 56.923 56.400 0.005 0.000 0.813 54 E CB -0.290 29.449 29.700 0.065 0.000 0.768 54 E HN 0.856 nan 8.360 nan 0.000 0.457 55 W N 1.558 122.823 121.300 -0.059 0.000 2.374 55 W HA -0.066 4.593 4.660 -0.000 0.000 0.288 55 W C 1.695 178.186 176.519 -0.047 0.000 1.218 55 W CA 1.562 58.908 57.345 0.002 0.000 1.245 55 W CB -0.049 29.470 29.460 0.100 0.000 1.126 55 W HN 0.054 nan 8.180 nan 0.000 0.545 56 G N 0.106 108.739 108.800 -0.278 0.000 2.598 56 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.215 56 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.215 56 G C 1.325 176.030 174.900 -0.326 0.000 1.131 56 G CA 0.345 45.201 45.100 -0.408 0.000 0.785 56 G HN 0.391 nan 8.290 nan 0.000 0.539 57 Q N 0.269 119.893 119.800 -0.293 0.000 2.247 57 Q HA 0.081 4.421 4.340 -0.000 0.000 0.211 57 Q C 0.776 176.657 176.000 -0.199 0.000 0.861 57 Q CA -0.084 55.595 55.803 -0.206 0.000 0.949 57 Q CB 0.711 29.353 28.738 -0.161 0.000 1.115 57 Q HN 0.488 nan 8.270 nan 0.000 0.507 58 T N -0.421 113.958 114.554 -0.293 0.000 2.813 58 T HA 0.152 4.502 4.350 -0.000 0.000 0.297 58 T C 0.712 175.259 174.700 -0.255 0.000 1.036 58 T CA -0.524 61.399 62.100 -0.295 0.000 1.044 58 T CB 1.096 69.661 68.868 -0.505 0.000 0.993 58 T HN 0.132 nan 8.240 nan 0.000 0.535 59 T N -0.529 113.914 114.554 -0.184 0.000 2.899 59 T HA 0.293 4.642 4.350 -0.000 0.000 0.295 59 T C -1.796 172.816 174.700 -0.147 0.000 1.033 59 T CA -1.595 60.424 62.100 -0.136 0.000 1.084 59 T CB 0.380 69.195 68.868 -0.088 0.000 0.979 59 T HN 0.316 nan 8.240 nan 0.000 0.532 60 P HA -0.152 nan 4.420 nan 0.000 0.216 60 P C 1.591 178.858 177.300 -0.055 0.000 1.157 60 P CA 1.252 64.307 63.100 -0.076 0.000 0.880 60 P CB 0.063 31.731 31.700 -0.053 0.000 0.791 61 K N -0.199 120.171 120.400 -0.049 0.000 2.032 61 K HA -0.147 4.173 4.320 -0.000 0.000 0.209 61 K C 1.866 178.451 176.600 -0.026 0.000 1.048 61 K CA 1.553 57.821 56.287 -0.032 0.000 0.927 61 K CB -0.676 31.806 32.500 -0.030 0.000 0.712 61 K HN -0.090 nan 8.250 nan 0.000 0.441 62 V N 1.680 121.566 119.914 -0.047 0.000 2.427 62 V HA -0.215 3.904 4.120 -0.000 0.000 0.248 62 V C 2.365 178.465 176.094 0.009 0.000 1.051 62 V CA 1.800 64.082 62.300 -0.030 0.000 1.048 62 V CB -0.451 31.341 31.823 -0.051 0.000 0.666 62 V HN 0.376 nan 8.190 nan 0.000 0.456 63 R N 0.283 120.760 120.500 -0.038 0.000 2.075 63 R HA -0.054 4.285 4.340 -0.000 0.000 0.232 63 R C 2.457 178.865 176.300 0.182 0.000 1.126 63 R CA 1.339 57.506 56.100 0.113 0.000 0.963 63 R CB -0.693 29.603 30.300 -0.007 0.000 0.858 63 R HN 0.502 nan 8.270 nan 0.000 0.435 64 A N 2.005 124.880 122.820 0.090 0.000 1.892 64 A HA -0.245 4.074 4.320 -0.000 0.000 0.218 64 A C 1.991 179.620 177.584 0.075 0.000 1.188 64 A CA 1.704 53.792 52.037 0.085 0.000 0.631 64 A CB -0.455 18.564 19.000 0.032 0.000 0.822 64 A HN 0.366 nan 8.150 nan 0.000 0.447 65 E N -1.058 119.167 120.200 0.042 0.000 2.118 65 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 65 E C 2.063 178.657 176.600 -0.011 0.000 0.992 65 E CA 1.300 57.709 56.400 0.014 0.000 0.804 65 E CB -0.378 29.321 29.700 -0.001 0.000 0.741 65 E HN 0.697 nan 8.360 nan 0.000 0.458 66 C N 0.434 119.728 119.300 -0.010 0.000 2.446 66 C HA -0.058 4.402 4.460 -0.000 0.000 0.277 66 C C 2.542 177.456 174.990 -0.127 0.000 1.275 66 C CA 0.331 59.219 59.018 -0.216 0.000 1.727 66 C CB -0.782 26.748 27.740 -0.349 0.000 2.010 66 C HN 0.403 nan 8.230 nan 0.000 0.486 67 L N 0.303 121.611 121.223 0.141 0.000 2.131 67 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 67 L C 2.402 179.359 176.870 0.146 0.000 1.092 67 L CA 1.214 56.206 54.840 0.253 0.000 0.759 67 L CB -0.502 41.780 42.059 0.371 0.000 0.903 67 L HN 0.403 nan 8.230 nan 0.000 0.435 68 L N -0.814 120.460 121.223 0.086 0.000 2.093 68 L HA -0.165 4.174 4.340 -0.000 0.000 0.208 68 L C 2.714 179.593 176.870 0.015 0.000 1.085 68 L CA 0.908 55.785 54.840 0.061 0.000 0.755 68 L CB -0.480 41.605 42.059 0.044 0.000 0.904 68 L HN 0.169 nan 8.230 nan 0.000 0.435 69 K N 0.088 120.469 120.400 -0.031 0.000 2.057 69 K HA -0.178 4.142 4.320 -0.000 0.000 0.207 69 K C 2.096 178.650 176.600 -0.077 0.000 1.049 69 K CA 1.243 57.491 56.287 -0.064 0.000 0.931 69 K CB -0.379 32.051 32.500 -0.118 0.000 0.714 69 K HN 0.114 nan 8.250 nan 0.000 0.440 70 L N 1.151 122.306 121.223 -0.112 0.000 2.017 70 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 70 L C 2.226 178.953 176.870 -0.238 0.000 1.073 70 L CA 2.043 56.766 54.840 -0.195 0.000 0.745 70 L CB -1.007 40.892 42.059 -0.266 0.000 0.894 70 L HN 0.135 nan 8.230 nan 0.000 0.432 71 A N -0.634 122.101 122.820 -0.142 0.000 1.873 71 A HA -0.287 4.033 4.320 -0.000 0.000 0.218 71 A C 2.053 179.645 177.584 0.015 0.000 1.193 71 A CA 2.139 54.173 52.037 -0.005 0.000 0.629 71 A CB -1.058 18.023 19.000 0.134 0.000 0.826 71 A HN 0.542 nan 8.150 nan 0.000 0.447 72 D N -0.424 119.985 120.400 0.015 0.000 2.116 72 D HA -0.129 4.510 4.640 -0.000 0.000 0.193 72 D C 2.060 178.384 176.300 0.039 0.000 0.998 72 D CA 1.659 55.676 54.000 0.029 0.000 0.836 72 D CB -0.531 40.279 40.800 0.016 0.000 0.951 72 D HN 0.214 nan 8.370 nan 0.000 0.449 73 V N 1.072 120.999 119.914 0.021 0.000 2.407 73 V HA -0.197 3.923 4.120 -0.000 0.000 0.248 73 V C 2.484 178.660 176.094 0.137 0.000 1.055 73 V CA 0.990 63.323 62.300 0.055 0.000 1.049 73 V CB -0.329 31.512 31.823 0.031 0.000 0.662 73 V HN 0.208 nan 8.190 nan 0.000 0.455 74 I N 0.045 120.682 120.570 0.112 0.000 2.226 74 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 74 I C 2.589 178.836 176.117 0.216 0.000 1.100 74 I CA 1.977 63.398 61.300 0.202 0.000 1.374 74 I CB -0.384 37.617 38.000 0.002 0.000 1.057 74 I HN 0.391 nan 8.210 nan 0.000 0.413 75 E N 1.285 121.564 120.200 0.132 0.000 2.110 75 E HA -0.247 4.102 4.350 -0.000 0.000 0.193 75 E C 1.977 178.658 176.600 0.134 0.000 0.988 75 E CA 1.223 57.693 56.400 0.118 0.000 0.804 75 E CB 0.071 29.820 29.700 0.082 0.000 0.745 75 E HN 0.473 nan 8.360 nan 0.000 0.458 76 E N -0.074 120.197 120.200 0.119 0.000 2.204 76 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 76 E C 0.695 177.363 176.600 0.114 0.000 0.990 76 E CA 1.094 57.555 56.400 0.101 0.000 0.821 76 E CB 0.008 29.750 29.700 0.069 0.000 0.750 76 E HN 0.264 nan 8.360 nan 0.000 0.477 77 N N -0.702 118.091 118.700 0.155 0.000 2.273 77 N HA 0.086 4.826 4.740 -0.000 0.000 0.231 77 N C 1.005 176.662 175.510 0.245 0.000 1.134 77 N CA 0.053 53.169 53.050 0.110 0.000 0.856 77 N CB 1.137 39.586 38.487 -0.064 0.000 1.068 77 N HN 0.083 nan 8.380 nan 0.000 0.510 78 G N 0.593 109.581 108.800 0.313 0.000 2.422 78 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.218 78 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.218 78 G C 1.544 176.741 174.900 0.495 0.000 1.146 78 G CA 0.756 46.087 45.100 0.384 0.000 0.769 78 G HN 0.249 nan 8.290 nan 0.000 0.547 79 Q N 0.265 120.338 119.800 0.456 0.000 2.046 79 Q HA -0.008 4.332 4.340 -0.000 0.000 0.200 79 Q C 2.644 178.743 176.000 0.165 0.000 0.975 79 Q CA 1.471 57.450 55.803 0.293 0.000 0.836 79 Q CB -0.667 28.121 28.738 0.082 0.000 0.896 79 Q HN 0.241 nan 8.270 nan 0.000 0.428 80 V N 0.285 120.251 119.914 0.087 0.000 2.295 80 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 80 V C 2.005 178.124 176.094 0.041 0.000 1.049 80 V CA 1.869 64.164 62.300 -0.009 0.000 1.024 80 V CB -0.660 31.081 31.823 -0.138 0.000 0.648 80 V HN 0.318 nan 8.190 nan 0.000 0.447 81 F N 0.740 120.759 119.950 0.115 0.000 2.126 81 F HA -0.171 4.355 4.527 -0.000 0.000 0.299 81 F C 2.383 178.258 175.800 0.125 0.000 1.096 81 F CA 1.365 59.430 58.000 0.109 0.000 1.255 81 F CB -1.028 38.039 39.000 0.111 0.000 0.997 81 F HN 0.117 nan 8.300 nan 0.000 0.479 82 A N -0.783 122.262 122.820 0.375 0.000 2.015 82 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 82 A C 2.132 179.837 177.584 0.201 0.000 1.163 82 A CA 1.585 53.806 52.037 0.307 0.000 0.646 82 A CB -0.601 18.664 19.000 0.441 0.000 0.806 82 A HN 0.435 nan 8.150 nan 0.000 0.448 83 E N -0.242 120.051 120.200 0.155 0.000 2.051 83 E HA -0.047 4.303 4.350 -0.000 0.000 0.189 83 E C 1.940 178.590 176.600 0.083 0.000 0.979 83 E CA 0.798 57.250 56.400 0.088 0.000 0.803 83 E CB -0.209 29.518 29.700 0.046 0.000 0.761 83 E HN 0.602 nan 8.360 nan 0.000 0.451 84 L N 0.832 122.114 121.223 0.097 0.000 2.012 84 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 84 L C 2.549 179.488 176.870 0.115 0.000 1.073 84 L CA 1.285 56.183 54.840 0.097 0.000 0.748 84 L CB -0.328 41.797 42.059 0.110 0.000 0.891 84 L HN 0.116 nan 8.230 nan 0.000 0.431 85 E N -0.343 119.947 120.200 0.149 0.000 2.077 85 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 85 E C 2.362 179.010 176.600 0.081 0.000 0.989 85 E CA 1.376 57.850 56.400 0.123 0.000 0.800 85 E CB -0.050 29.732 29.700 0.137 0.000 0.746 85 E HN 0.230 nan 8.360 nan 0.000 0.452 86 S N -0.452 115.294 115.700 0.077 0.000 2.356 86 S HA -0.154 4.315 4.470 -0.000 0.000 0.223 86 S C 1.950 176.571 174.600 0.036 0.000 1.032 86 S CA 1.220 59.447 58.200 0.045 0.000 1.005 86 S CB -0.119 63.110 63.200 0.048 0.000 0.867 86 S HN 0.217 nan 8.310 nan 0.000 0.449 87 R N 0.723 121.250 120.500 0.045 0.000 2.081 87 R HA -0.032 4.307 4.340 -0.000 0.000 0.235 87 R C 2.092 178.417 176.300 0.040 0.000 1.131 87 R CA 1.523 57.645 56.100 0.036 0.000 0.960 87 R CB -0.514 29.806 30.300 0.034 0.000 0.856 87 R HN 0.383 nan 8.270 nan 0.000 0.436 88 N N -0.225 118.508 118.700 0.055 0.000 2.416 88 N HA -0.052 4.688 4.740 -0.000 0.000 0.177 88 N C 0.979 176.529 175.510 0.067 0.000 1.036 88 N CA 0.805 53.897 53.050 0.071 0.000 0.901 88 N CB 0.203 38.743 38.487 0.087 0.000 0.976 88 N HN 0.150 nan 8.380 nan 0.000 0.444 89 C N -2.425 116.902 119.300 0.044 0.000 3.270 89 C HA 0.511 4.970 4.460 -0.000 0.000 0.369 89 C C 1.519 176.497 174.990 -0.020 0.000 1.326 89 C CA 0.139 59.174 59.018 0.027 0.000 1.846 89 C CB -0.068 27.685 27.740 0.022 0.000 2.534 89 C HN 0.530 nan 8.230 nan 0.000 0.649 90 G N 1.367 110.150 108.800 -0.028 0.000 2.179 90 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.260 90 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.260 90 G C -0.002 174.856 174.900 -0.070 0.000 0.977 90 G CA 0.057 45.117 45.100 -0.066 0.000 0.641 90 G HN 0.576 nan 8.290 nan 0.000 0.533 91 K N 1.461 121.819 120.400 -0.069 0.000 2.484 91 K HA 0.284 4.604 4.320 -0.000 0.000 0.280 91 K C -2.147 174.404 176.600 -0.083 0.000 1.013 91 K CA -0.983 55.243 56.287 -0.101 0.000 1.029 91 K CB 0.389 32.840 32.500 -0.081 0.000 0.902 91 K HN 0.088 nan 8.250 nan 0.000 0.481 92 P HA -0.134 nan 4.420 nan 0.000 0.262 92 P C 0.460 177.667 177.300 -0.154 0.000 1.182 92 P CA 0.031 63.035 63.100 -0.160 0.000 0.761 92 P CB 0.449 31.941 31.700 -0.348 0.000 0.795 93 L N 5.434 126.632 121.223 -0.041 0.000 1.989 93 L HA -0.237 4.102 4.340 -0.000 0.000 0.211 93 L C 2.383 179.304 176.870 0.085 0.000 1.071 93 L CA 2.264 57.127 54.840 0.039 0.000 0.749 93 L CB -1.523 40.574 42.059 0.064 0.000 0.890 93 L HN 0.584 nan 8.230 nan 0.000 0.431 94 H N -2.883 116.266 119.070 0.132 0.000 2.387 94 H HA -0.079 4.477 4.556 -0.000 0.000 0.299 94 H C 1.994 177.458 175.328 0.227 0.000 1.099 94 H CA 1.565 57.722 56.048 0.182 0.000 1.315 94 H CB -0.977 28.868 29.762 0.138 0.000 1.380 94 H HN 0.307 nan 8.280 nan 0.000 0.513 95 S N 0.417 115.960 115.700 -0.261 0.000 2.357 95 S HA -0.028 4.441 4.470 -0.000 0.000 0.221 95 S C 2.531 177.222 174.600 0.152 0.000 1.031 95 S CA 0.789 58.997 58.200 0.014 0.000 0.982 95 S CB -0.539 62.597 63.200 -0.106 0.000 0.853 95 S HN 0.725 nan 8.310 nan 0.000 0.458 96 A N 0.886 123.768 122.820 0.104 0.000 1.902 96 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 96 A C 1.925 179.641 177.584 0.220 0.000 1.181 96 A CA 1.412 53.547 52.037 0.163 0.000 0.623 96 A CB -0.861 18.219 19.000 0.133 0.000 0.818 96 A HN 0.481 nan 8.150 nan 0.000 0.443 97 F N 1.129 121.145 119.950 0.110 0.000 2.146 97 F HA -0.131 4.396 4.527 -0.000 0.000 0.298 97 F C 1.905 177.786 175.800 0.134 0.000 1.096 97 F CA 1.987 60.062 58.000 0.125 0.000 1.275 97 F CB -0.030 39.042 39.000 0.120 0.000 1.008 97 F HN 0.211 nan 8.300 nan 0.000 0.480 98 N N -0.145 118.679 118.700 0.207 0.000 2.405 98 N HA -0.049 4.691 4.740 -0.000 0.000 0.175 98 N C 0.935 176.497 175.510 0.087 0.000 1.051 98 N CA 1.134 54.253 53.050 0.114 0.000 0.899 98 N CB -0.160 38.474 38.487 0.245 0.000 1.000 98 N HN 0.365 nan 8.380 nan 0.000 0.451 99 D N 0.411 120.896 120.400 0.141 0.000 2.490 99 D HA 0.045 4.685 4.640 -0.000 0.000 0.244 99 D C 1.541 177.897 176.300 0.094 0.000 0.979 99 D CA 0.501 54.583 54.000 0.135 0.000 0.924 99 D CB -0.047 40.891 40.800 0.229 0.000 1.075 99 D HN 0.232 nan 8.370 nan 0.000 0.488 100 E N 0.674 120.948 120.200 0.123 0.000 2.033 100 E HA -0.049 4.301 4.350 -0.000 0.000 0.189 100 E C 2.155 178.776 176.600 0.036 0.000 0.979 100 E CA 0.294 56.750 56.400 0.094 0.000 0.802 100 E CB 0.200 29.994 29.700 0.156 0.000 0.763 100 E HN 0.075 nan 8.360 nan 0.000 0.449 101 I N 1.302 121.878 120.570 0.010 0.000 2.118 101 I HA -0.206 3.964 4.170 -0.000 0.000 0.241 101 I C -0.611 175.488 176.117 -0.029 0.000 1.070 101 I CA 1.552 62.837 61.300 -0.025 0.000 1.327 101 I CB -2.310 35.639 38.000 -0.085 0.000 1.034 101 I HN 0.033 nan 8.210 nan 0.000 0.405 102 P HA -0.097 nan 4.420 nan 0.000 0.216 102 P C 1.668 178.985 177.300 0.028 0.000 1.150 102 P CA 1.934 65.020 63.100 -0.023 0.000 0.837 102 P CB -0.026 31.650 31.700 -0.041 0.000 0.786 103 A N -0.858 121.980 122.820 0.029 0.000 1.930 103 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 103 A C 2.177 179.816 177.584 0.091 0.000 1.175 103 A CA 1.332 53.400 52.037 0.050 0.000 0.627 103 A CB -1.579 17.440 19.000 0.032 0.000 0.815 103 A HN 0.124 nan 8.150 nan 0.000 0.443 104 I N -0.681 119.939 120.570 0.082 0.000 2.315 104 I HA -0.172 3.998 4.170 -0.000 0.000 0.248 104 I C 2.249 178.512 176.117 0.244 0.000 1.117 104 I CA 0.816 62.193 61.300 0.128 0.000 1.404 104 I CB -0.109 37.932 38.000 0.068 0.000 1.071 104 I HN 0.143 nan 8.210 nan 0.000 0.419 105 V N 0.598 120.623 119.914 0.185 0.000 2.427 105 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 105 V C 2.068 178.303 176.094 0.234 0.000 1.051 105 V CA 2.289 64.720 62.300 0.218 0.000 1.048 105 V CB -0.554 31.342 31.823 0.122 0.000 0.666 105 V HN 0.471 nan 8.190 nan 0.000 0.456 106 D N -0.452 120.048 120.400 0.166 0.000 2.183 106 D HA -0.126 4.514 4.640 -0.000 0.000 0.203 106 D C 2.069 178.480 176.300 0.185 0.000 0.969 106 D CA 0.897 54.986 54.000 0.148 0.000 0.842 106 D CB 0.073 40.924 40.800 0.085 0.000 0.957 106 D HN 0.138 nan 8.370 nan 0.000 0.484 107 V N -0.036 119.982 119.914 0.174 0.000 2.282 107 V HA -0.274 3.846 4.120 -0.000 0.000 0.249 107 V C 2.022 178.277 176.094 0.269 0.000 1.057 107 V CA 1.724 64.130 62.300 0.177 0.000 1.032 107 V CB -0.617 31.290 31.823 0.139 0.000 0.645 107 V HN 0.299 nan 8.190 nan 0.000 0.447 108 F N -0.220 119.904 119.950 0.289 0.000 2.146 108 F HA -0.138 4.389 4.527 -0.000 0.000 0.298 108 F C 2.629 178.564 175.800 0.224 0.000 1.096 108 F CA 1.589 59.746 58.000 0.262 0.000 1.275 108 F CB -0.292 38.814 39.000 0.178 0.000 1.008 108 F HN -0.004 nan 8.300 nan 0.000 0.480 109 R N -0.674 120.033 120.500 0.346 0.000 2.075 109 R HA -0.168 4.172 4.340 -0.000 0.000 0.232 109 R C 2.191 178.587 176.300 0.160 0.000 1.126 109 R CA 1.626 57.854 56.100 0.214 0.000 0.963 109 R CB -0.899 29.498 30.300 0.162 0.000 0.858 109 R HN 0.280 nan 8.270 nan 0.000 0.435 110 F N 1.016 120.978 119.950 0.020 0.000 2.065 110 F HA -0.234 4.293 4.527 -0.000 0.000 0.298 110 F C 1.805 177.514 175.800 -0.153 0.000 1.112 110 F CA 1.568 59.493 58.000 -0.126 0.000 1.212 110 F CB -0.454 38.375 39.000 -0.284 0.000 0.975 110 F HN -0.139 nan 8.300 nan 0.000 0.476 111 F N 0.346 120.268 119.950 -0.047 0.000 2.186 111 F HA -0.095 4.431 4.527 -0.000 0.000 0.299 111 F C 2.582 178.313 175.800 -0.114 0.000 1.090 111 F CA 0.969 58.882 58.000 -0.144 0.000 1.307 111 F CB -1.045 37.978 39.000 0.038 0.000 1.019 111 F HN 0.121 nan 8.300 nan 0.000 0.489 112 A N 0.490 123.406 122.820 0.159 0.000 1.892 112 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 112 A C 2.531 180.095 177.584 -0.034 0.000 1.188 112 A CA 2.128 54.222 52.037 0.094 0.000 0.631 112 A CB -1.635 17.438 19.000 0.122 0.000 0.822 112 A HN 0.417 nan 8.150 nan 0.000 0.447 113 G N -0.892 107.824 108.800 -0.140 0.000 2.404 113 G HA2 0.044 4.004 3.960 -0.000 0.000 0.215 113 G HA3 0.044 4.004 3.960 -0.000 0.000 0.215 113 G C 1.711 176.447 174.900 -0.273 0.000 1.174 113 G CA 1.374 46.357 45.100 -0.195 0.000 0.780 113 G HN 0.929 nan 8.290 nan 0.000 0.537 114 A N 0.912 123.433 122.820 -0.498 0.000 2.121 114 A HA 0.387 4.707 4.320 -0.000 0.000 0.218 114 A C 2.629 180.119 177.584 -0.157 0.000 1.154 114 A CA 1.741 53.526 52.037 -0.420 0.000 0.679 114 A CB -0.467 18.099 19.000 -0.723 0.000 0.795 114 A HN 0.751 nan 8.150 nan 0.000 0.458 115 A N -0.189 122.585 122.820 -0.077 0.000 2.125 115 A HA -0.098 4.221 4.320 -0.000 0.000 0.219 115 A C 2.059 179.623 177.584 -0.034 0.000 1.156 115 A CA 1.248 53.281 52.037 -0.008 0.000 0.671 115 A CB -0.282 18.735 19.000 0.029 0.000 0.794 115 A HN 0.559 nan 8.150 nan 0.000 0.459 116 R N -2.160 118.304 120.500 -0.060 0.000 2.397 116 R HA 0.170 4.509 4.340 -0.000 0.000 0.241 116 R C -0.096 176.170 176.300 -0.057 0.000 0.914 116 R CA 0.217 56.285 56.100 -0.053 0.000 1.071 116 R CB 0.179 30.448 30.300 -0.050 0.000 1.116 116 R HN 0.438 nan 8.270 nan 0.000 0.524 117 C N 1.361 120.618 119.300 -0.072 0.000 2.741 117 C HA 0.385 4.845 4.460 -0.000 0.000 0.267 117 C C 0.240 175.193 174.990 -0.062 0.000 1.549 117 C CA -0.782 58.191 59.018 -0.073 0.000 1.772 117 C CB -0.833 26.845 27.740 -0.104 0.000 2.962 117 C HN 0.304 nan 8.230 nan 0.000 0.514 118 L N 2.326 123.522 121.223 -0.043 0.000 2.331 118 L HA 0.242 4.582 4.340 -0.000 0.000 0.278 118 L C 0.411 177.265 176.870 -0.027 0.000 1.106 118 L CA 0.383 55.204 54.840 -0.032 0.000 0.824 118 L CB 0.336 42.388 42.059 -0.013 0.000 1.142 118 L HN 0.471 nan 8.230 nan 0.000 0.443 119 N N 1.475 120.156 118.700 -0.032 0.000 2.483 119 N HA 0.486 5.226 4.740 -0.000 0.000 0.269 119 N C -0.098 175.406 175.510 -0.010 0.000 1.209 119 N CA 0.104 53.140 53.050 -0.023 0.000 0.969 119 N CB 1.872 40.340 38.487 -0.032 0.000 1.173 119 N HN 0.746 nan 8.380 nan 0.000 0.475 120 G N -0.115 108.683 108.800 -0.004 0.000 2.782 120 G HA2 0.505 4.465 3.960 -0.000 0.000 0.304 120 G HA3 0.505 4.465 3.960 -0.000 0.000 0.304 120 G C -1.398 173.503 174.900 0.002 0.000 1.315 120 G CA -0.577 44.524 45.100 0.001 0.000 0.791 120 G HN 0.352 nan 8.290 nan 0.000 0.519 121 L N 0.938 122.161 121.223 0.000 0.000 2.309 121 L HA 0.614 4.953 4.340 -0.000 0.000 0.282 121 L C 1.007 177.911 176.870 0.056 0.000 1.036 121 L CA -0.958 53.886 54.840 0.005 0.000 0.806 121 L CB 1.729 43.751 42.059 -0.062 0.000 1.220 121 L HN 0.714 nan 8.230 nan 0.000 0.429 122 A N 2.665 125.541 122.820 0.093 0.000 2.573 122 A HA 0.336 4.656 4.320 -0.000 0.000 0.250 122 A C 0.671 178.373 177.584 0.196 0.000 1.049 122 A CA 0.096 52.206 52.037 0.123 0.000 0.767 122 A CB -0.166 18.911 19.000 0.128 0.000 0.965 122 A HN 0.818 nan 8.150 nan 0.000 0.514 123 A N 2.660 125.566 122.820 0.143 0.000 2.445 123 A HA 0.656 4.976 4.320 -0.000 0.000 0.242 123 A C 0.981 178.656 177.584 0.151 0.000 1.075 123 A CA 0.673 52.815 52.037 0.175 0.000 0.777 123 A CB 0.133 19.201 19.000 0.112 0.000 1.013 123 A HN 2.610 nan 8.150 nan 0.000 0.493 124 G N 0.248 109.148 108.800 0.167 0.000 2.327 124 G HA2 0.436 4.396 3.960 -0.000 0.000 0.291 124 G HA3 0.436 4.396 3.960 -0.000 0.000 0.291 124 G C -1.599 173.269 174.900 -0.054 0.000 1.290 124 G CA -0.798 44.290 45.100 -0.018 0.000 0.857 124 G HN 0.576 nan 8.290 nan 0.000 0.520 125 E N 0.671 120.762 120.200 -0.181 0.000 2.069 125 E HA 0.431 4.781 4.350 -0.000 0.000 0.254 125 E C 0.002 176.472 176.600 -0.217 0.000 1.088 125 E CA -0.481 55.852 56.400 -0.111 0.000 1.017 125 E CB 0.257 29.920 29.700 -0.063 0.000 1.226 125 E HN 0.462 nan 8.360 nan 0.000 0.458 126 Y N 0.759 121.071 120.300 0.020 0.000 2.352 126 Y HA -0.008 4.542 4.550 -0.000 0.000 0.292 126 Y C 0.739 176.633 175.900 -0.010 0.000 1.136 126 Y CA 0.225 58.325 58.100 -0.000 0.000 1.227 126 Y CB 0.237 38.689 38.460 -0.014 0.000 0.991 126 Y HN 0.295 nan 8.280 nan 0.000 0.545 127 L N 0.572 121.855 121.223 0.101 0.000 2.356 127 L HA 0.428 4.767 4.340 -0.000 0.000 0.277 127 L C -0.710 176.199 176.870 0.066 0.000 0.996 127 L CA -1.265 53.598 54.840 0.038 0.000 0.822 127 L CB 1.288 43.305 42.059 -0.071 0.000 1.256 127 L HN -0.118 nan 8.230 nan 0.000 0.413 128 E N 3.719 123.950 120.200 0.051 0.000 2.608 128 E HA 0.353 4.703 4.350 -0.000 0.000 0.259 128 E C 1.106 177.741 176.600 0.058 0.000 0.951 128 E CA 1.644 58.065 56.400 0.035 0.000 0.945 128 E CB 0.067 29.785 29.700 0.031 0.000 0.916 128 E HN 0.933 nan 8.360 nan 0.000 0.477 129 G N 3.171 111.890 108.800 -0.135 0.000 2.160 129 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.251 129 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.251 129 G C -0.457 173.927 174.900 -0.860 0.000 1.008 129 G CA 0.042 44.893 45.100 -0.414 0.000 0.724 129 G HN 0.668 nan 8.290 nan 0.000 0.514 130 H N -0.354 118.370 119.070 -0.577 0.000 2.934 130 H HA 0.356 4.912 4.556 -0.000 0.000 0.340 130 H C -0.754 174.462 175.328 -0.186 0.000 1.008 130 H CA -0.413 55.434 56.048 -0.334 0.000 1.317 130 H CB 1.662 31.359 29.762 -0.108 0.000 1.670 130 H HN 0.109 nan 8.280 nan 0.000 0.516 131 T N 2.714 117.303 114.554 0.058 0.000 2.749 131 T HA 0.188 4.538 4.350 -0.000 0.000 0.295 131 T C 0.471 175.284 174.700 0.189 0.000 0.936 131 T CA -0.086 62.115 62.100 0.169 0.000 1.060 131 T CB 0.557 69.567 68.868 0.237 0.000 0.904 131 T HN 0.389 nan 8.240 nan 0.000 0.500 132 S N 4.227 120.084 115.700 0.261 0.000 2.508 132 S HA 0.673 5.142 4.470 -0.000 0.000 0.284 132 S C 0.100 174.857 174.600 0.262 0.000 1.192 132 S CA -0.914 57.477 58.200 0.318 0.000 1.070 132 S CB 0.631 64.107 63.200 0.460 0.000 1.004 132 S HN 0.750 nan 8.310 nan 0.000 0.493 133 M N 1.960 121.688 119.600 0.213 0.000 2.644 133 M HA 0.699 5.179 4.480 -0.000 0.000 0.304 133 M C -1.654 174.736 176.300 0.150 0.000 1.215 133 M CA -0.953 54.441 55.300 0.156 0.000 0.871 133 M CB 1.255 33.917 32.600 0.103 0.000 1.740 133 M HN 0.221 nan 8.290 nan 0.000 0.464 134 I N 2.120 122.743 120.570 0.089 0.000 2.433 134 I HA 0.561 4.731 4.170 -0.000 0.000 0.292 134 I C -0.382 175.761 176.117 0.044 0.000 1.001 134 I CA -0.471 60.865 61.300 0.061 0.000 1.119 134 I CB 1.869 39.876 38.000 0.011 0.000 1.289 134 I HN 0.859 nan 8.210 nan 0.000 0.438 135 R N 5.257 125.782 120.500 0.042 0.000 2.832 135 R HA 0.677 5.017 4.340 -0.000 0.000 0.271 135 R C -0.546 175.771 176.300 0.028 0.000 0.996 135 R CA -0.979 55.140 56.100 0.031 0.000 0.977 135 R CB 2.240 32.558 30.300 0.030 0.000 1.168 135 R HN 0.422 nan 8.270 nan 0.000 0.482 136 R N 1.331 121.846 120.500 0.025 0.000 2.352 136 R HA 0.279 4.619 4.340 -0.000 0.000 0.304 136 R C -1.139 175.184 176.300 0.038 0.000 1.104 136 R CA -0.567 55.553 56.100 0.032 0.000 0.991 136 R CB 1.127 31.445 30.300 0.030 0.000 1.140 136 R HN 0.512 nan 8.270 nan 0.000 0.540 137 D N 3.272 123.703 120.400 0.051 0.000 2.268 137 D HA 0.339 4.979 4.640 -0.000 0.000 0.249 137 D C -2.198 174.168 176.300 0.111 0.000 1.008 137 D CA -1.623 52.418 54.000 0.068 0.000 0.939 137 D CB 1.983 42.822 40.800 0.066 0.000 1.170 137 D HN 0.118 nan 8.370 nan 0.000 0.468 138 P HA 0.178 nan 4.420 nan 0.000 0.274 138 P C 0.679 178.115 177.300 0.227 0.000 1.246 138 P CA -0.327 62.915 63.100 0.236 0.000 0.795 138 P CB 1.195 33.130 31.700 0.392 0.000 1.006 139 L N -0.432 120.843 121.223 0.087 0.000 2.249 139 L HA 0.246 4.586 4.340 -0.000 0.000 0.207 139 L C 1.627 178.328 176.870 -0.281 0.000 1.090 139 L CA 1.224 56.047 54.840 -0.029 0.000 0.802 139 L CB -0.717 41.326 42.059 -0.027 0.000 0.947 139 L HN 0.723 nan 8.230 nan 0.000 0.453 140 G N -0.480 107.847 108.800 -0.788 0.000 2.390 140 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.202 140 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.202 140 G C -0.826 173.612 174.900 -0.770 0.000 1.210 140 G CA -0.421 43.783 45.100 -1.493 0.000 1.271 140 G HN -0.200 nan 8.290 nan 0.000 0.543 141 V N 1.438 121.096 119.914 -0.426 0.000 2.406 141 V HA 0.539 4.659 4.120 -0.000 0.000 0.272 141 V C 0.541 176.561 176.094 -0.123 0.000 1.043 141 V CA -0.464 61.704 62.300 -0.220 0.000 0.915 141 V CB 1.112 32.834 31.823 -0.168 0.000 0.988 141 V HN 0.713 nan 8.190 nan 0.000 0.466 142 V N 4.716 124.586 119.914 -0.075 0.000 2.407 142 V HA 0.624 4.744 4.120 -0.000 0.000 0.278 142 V C 0.575 176.664 176.094 -0.007 0.000 1.037 142 V CA -0.505 61.794 62.300 -0.003 0.000 0.900 142 V CB 1.581 33.441 31.823 0.063 0.000 0.983 142 V HN 0.961 nan 8.190 nan 0.000 0.459 143 A N 4.145 126.976 122.820 0.018 0.000 2.269 143 A HA 0.682 5.002 4.320 -0.000 0.000 0.302 143 A C 0.250 177.864 177.584 0.049 0.000 1.266 143 A CA -0.258 51.794 52.037 0.025 0.000 0.894 143 A CB 0.348 19.370 19.000 0.037 0.000 1.147 143 A HN 0.742 nan 8.150 nan 0.000 0.537 144 S N 2.658 118.380 115.700 0.037 0.000 2.449 144 S HA 0.613 5.083 4.470 -0.000 0.000 0.310 144 S C -0.458 174.171 174.600 0.049 0.000 1.096 144 S CA -0.457 57.774 58.200 0.052 0.000 1.095 144 S CB 0.791 64.007 63.200 0.025 0.000 1.007 144 S HN 0.520 nan 8.310 nan 0.000 0.474 145 I N 2.768 123.374 120.570 0.060 0.000 2.410 145 I HA 0.554 4.724 4.170 -0.000 0.000 0.286 145 I C 0.130 176.272 176.117 0.042 0.000 1.009 145 I CA -0.802 60.526 61.300 0.046 0.000 1.111 145 I CB 0.828 38.852 38.000 0.040 0.000 1.262 145 I HN 0.672 nan 8.210 nan 0.000 0.443 146 A N 9.293 132.135 122.820 0.036 0.000 2.340 146 A HA 0.983 5.303 4.320 -0.000 0.000 0.331 146 A C -2.548 175.039 177.584 0.005 0.000 1.140 146 A CA -1.322 50.731 52.037 0.025 0.000 0.801 146 A CB 1.422 20.444 19.000 0.037 0.000 1.234 146 A HN 0.468 nan 8.150 nan 0.000 0.469 147 P HA 0.254 nan 4.420 nan 0.000 0.297 147 P C 0.247 177.516 177.300 -0.053 0.000 1.307 147 P CA -0.411 62.589 63.100 -0.166 0.000 0.773 147 P CB 0.517 32.028 31.700 -0.316 0.000 1.265 148 W N 0.146 121.465 121.300 0.031 0.000 3.177 148 W HA 0.087 4.747 4.660 -0.000 0.000 0.309 148 W C 0.908 177.427 176.519 -0.001 0.000 1.224 148 W CA 0.038 57.397 57.345 0.023 0.000 1.718 148 W CB -1.269 28.199 29.460 0.014 0.000 1.078 148 W HN 0.231 nan 8.180 nan 0.000 0.618 149 N N 1.854 120.546 118.700 -0.015 0.000 2.207 149 N HA -0.191 4.549 4.740 -0.000 0.000 0.182 149 N C -0.292 175.044 175.510 -0.290 0.000 1.020 149 N CA 1.006 54.022 53.050 -0.056 0.000 0.858 149 N CB -1.077 37.295 38.487 -0.190 0.000 0.991 149 N HN 0.157 nan 8.380 nan 0.000 0.427 150 Y N 0.085 120.363 120.300 -0.037 0.000 2.662 150 Y HA 0.433 4.983 4.550 -0.000 0.000 0.358 150 Y C -1.816 174.032 175.900 -0.087 0.000 1.041 150 Y CA -2.039 56.013 58.100 -0.081 0.000 1.184 150 Y CB 2.037 40.374 38.460 -0.205 0.000 1.114 150 Y HN 0.008 nan 8.280 nan 0.000 0.650 151 P HA -0.224 nan 4.420 nan 0.000 0.213 151 P C 1.852 179.177 177.300 0.042 0.000 1.170 151 P CA 1.376 64.523 63.100 0.080 0.000 0.898 151 P CB 0.611 32.382 31.700 0.118 0.000 0.787 152 L N -1.652 119.589 121.223 0.031 0.000 2.072 152 L HA -0.109 4.231 4.340 -0.000 0.000 0.205 152 L C 2.441 179.272 176.870 -0.065 0.000 1.079 152 L CA 1.501 56.325 54.840 -0.026 0.000 0.752 152 L CB -0.525 41.481 42.059 -0.088 0.000 0.906 152 L HN 0.015 nan 8.230 nan 0.000 0.436 153 M N -0.949 118.589 119.600 -0.103 0.000 2.080 153 M HA -0.286 4.194 4.480 -0.000 0.000 0.260 153 M C 2.204 178.235 176.300 -0.449 0.000 1.068 153 M CA 1.811 56.938 55.300 -0.290 0.000 1.109 153 M CB 0.041 32.388 32.600 -0.421 0.000 1.342 153 M HN 0.201 nan 8.290 nan 0.000 0.405 154 M N -0.281 119.125 119.600 -0.324 0.000 2.254 154 M HA -0.045 4.435 4.480 -0.000 0.000 0.265 154 M C 2.384 178.649 176.300 -0.059 0.000 1.066 154 M CA 1.468 56.618 55.300 -0.251 0.000 1.123 154 M CB -1.484 31.035 32.600 -0.135 0.000 1.388 154 M HN 0.454 nan 8.290 nan 0.000 0.425 155 A N 0.554 123.356 122.820 -0.030 0.000 1.902 155 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 155 A C 2.453 180.061 177.584 0.041 0.000 1.181 155 A CA 2.153 54.206 52.037 0.027 0.000 0.623 155 A CB -0.885 18.145 19.000 0.050 0.000 0.818 155 A HN 0.459 nan 8.150 nan 0.000 0.443 156 A N -1.425 121.408 122.820 0.021 0.000 1.877 156 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 156 A C 1.927 179.432 177.584 -0.132 0.000 1.186 156 A CA 1.583 53.549 52.037 -0.118 0.000 0.620 156 A CB -0.879 18.016 19.000 -0.175 0.000 0.822 156 A HN 0.710 nan 8.150 nan 0.000 0.443 157 W N 0.157 121.325 121.300 -0.220 0.000 2.374 157 W HA -0.051 4.609 4.660 -0.000 0.000 0.288 157 W C 2.174 178.568 176.519 -0.209 0.000 1.218 157 W CA 1.452 58.689 57.345 -0.179 0.000 1.245 157 W CB -0.467 28.951 29.460 -0.069 0.000 1.126 157 W HN 0.315 nan 8.180 nan 0.000 0.545 158 K N -0.447 119.994 120.400 0.068 0.000 2.044 158 K HA -0.035 4.285 4.320 -0.000 0.000 0.204 158 K C 2.102 178.570 176.600 -0.220 0.000 1.049 158 K CA 1.041 57.297 56.287 -0.050 0.000 0.945 158 K CB -0.693 31.826 32.500 0.032 0.000 0.724 158 K HN 0.006 nan 8.250 nan 0.000 0.440 159 L N 0.463 121.602 121.223 -0.140 0.000 2.017 159 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 159 L C 2.510 179.253 176.870 -0.211 0.000 1.073 159 L CA 1.374 56.135 54.840 -0.131 0.000 0.745 159 L CB -0.650 41.447 42.059 0.063 0.000 0.894 159 L HN 0.207 nan 8.230 nan 0.000 0.432 160 A N 0.727 123.355 122.820 -0.320 0.000 1.841 160 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 160 A C 0.065 177.301 177.584 -0.579 0.000 1.199 160 A CA 2.025 53.847 52.037 -0.358 0.000 0.621 160 A CB -1.990 16.670 19.000 -0.567 0.000 0.835 160 A HN 0.303 nan 8.150 nan 0.000 0.445 161 P HA -0.104 nan 4.420 nan 0.000 0.217 161 P C 1.604 178.527 177.300 -0.629 0.000 1.150 161 P CA 1.974 64.508 63.100 -0.943 0.000 0.832 161 P CB -0.214 30.939 31.700 -0.913 0.000 0.787 162 A N 0.221 122.494 122.820 -0.911 0.000 1.902 162 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 162 A C 2.438 179.899 177.584 -0.205 0.000 1.181 162 A CA 1.474 53.063 52.037 -0.747 0.000 0.623 162 A CB -1.634 16.913 19.000 -0.755 0.000 0.818 162 A HN 0.128 nan 8.150 nan 0.000 0.443 163 L N -0.963 120.183 121.223 -0.128 0.000 2.093 163 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 163 L C 3.068 180.106 176.870 0.280 0.000 1.085 163 L CA 0.918 55.848 54.840 0.150 0.000 0.755 163 L CB -0.508 41.578 42.059 0.045 0.000 0.904 163 L HN 0.428 nan 8.230 nan 0.000 0.435 164 A N 0.119 123.011 122.820 0.120 0.000 1.933 164 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 164 A C 2.409 180.044 177.584 0.084 0.000 1.175 164 A CA 1.582 53.697 52.037 0.130 0.000 0.628 164 A CB -0.593 18.481 19.000 0.123 0.000 0.814 164 A HN 0.384 nan 8.150 nan 0.000 0.444 165 A N -1.951 120.909 122.820 0.066 0.000 2.209 165 A HA 0.377 4.696 4.320 -0.000 0.000 0.212 165 A C 1.829 179.471 177.584 0.096 0.000 1.158 165 A CA 1.371 53.459 52.037 0.086 0.000 0.742 165 A CB -0.851 18.228 19.000 0.132 0.000 0.790 165 A HN 1.897 nan 8.150 nan 0.000 0.472 166 G N -1.031 107.845 108.800 0.127 0.000 2.159 166 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.227 166 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.227 166 G C -0.087 175.072 174.900 0.431 0.000 0.986 166 G CA 0.106 45.256 45.100 0.084 0.000 0.651 166 G HN 0.645 nan 8.290 nan 0.000 0.523 167 N N -0.653 118.293 118.700 0.409 0.000 2.445 167 N HA 0.587 5.327 4.740 -0.000 0.000 0.264 167 N C 0.249 175.959 175.510 0.334 0.000 1.227 167 N CA 0.140 53.388 53.050 0.330 0.000 0.963 167 N CB 0.935 39.479 38.487 0.095 0.000 1.188 167 N HN 0.247 nan 8.380 nan 0.000 0.491 168 C N 0.811 120.197 119.300 0.144 0.000 2.366 168 C HA 0.643 5.103 4.460 -0.000 0.000 0.345 168 C C 0.046 174.972 174.990 -0.106 0.000 1.209 168 C CA -0.638 58.354 59.018 -0.042 0.000 2.050 168 C CB 0.439 28.184 27.740 0.009 0.000 2.359 168 C HN 0.339 nan 8.230 nan 0.000 0.527 169 V N 2.703 122.522 119.914 -0.159 0.000 2.735 169 V HA 0.587 4.707 4.120 -0.000 0.000 0.310 169 V C -0.634 175.394 176.094 -0.110 0.000 1.061 169 V CA -0.442 61.776 62.300 -0.136 0.000 0.913 169 V CB 1.950 33.670 31.823 -0.172 0.000 1.005 169 V HN 0.662 nan 8.190 nan 0.000 0.428 170 V N 5.373 125.243 119.914 -0.073 0.000 2.376 170 V HA 0.459 4.578 4.120 -0.000 0.000 0.287 170 V C -0.610 175.470 176.094 -0.022 0.000 1.015 170 V CA -0.470 61.801 62.300 -0.048 0.000 0.834 170 V CB 1.524 33.321 31.823 -0.044 0.000 1.001 170 V HN 0.669 nan 8.190 nan 0.000 0.428 171 L N 5.183 126.397 121.223 -0.014 0.000 2.282 171 L HA 0.615 4.955 4.340 -0.000 0.000 0.288 171 L C -0.256 176.632 176.870 0.031 0.000 1.033 171 L CA 0.017 54.862 54.840 0.008 0.000 0.807 171 L CB 1.228 43.291 42.059 0.006 0.000 1.209 171 L HN 0.611 nan 8.230 nan 0.000 0.423 172 K N 6.977 127.399 120.400 0.036 0.000 2.425 172 K HA 0.571 4.891 4.320 -0.000 0.000 0.259 172 K C -2.617 174.016 176.600 0.056 0.000 0.978 172 K CA -1.872 54.441 56.287 0.043 0.000 0.883 172 K CB 1.468 33.981 32.500 0.021 0.000 1.110 172 K HN 0.402 nan 8.250 nan 0.000 0.436 173 P HA -0.006 nan 4.420 nan 0.000 0.275 173 P C -0.655 176.706 177.300 0.102 0.000 1.266 173 P CA -0.514 62.652 63.100 0.111 0.000 0.793 173 P CB 0.669 32.470 31.700 0.169 0.000 1.074 174 S N 0.634 116.415 115.700 0.134 0.000 2.533 174 S HA -0.012 4.458 4.470 -0.000 0.000 0.282 174 S C 1.466 176.161 174.600 0.157 0.000 1.304 174 S CA -0.392 57.902 58.200 0.157 0.000 1.063 174 S CB -0.212 63.154 63.200 0.277 0.000 0.881 174 S HN 0.509 nan 8.310 nan 0.000 0.493 175 E N 5.053 125.278 120.200 0.042 0.000 2.333 175 E HA -0.180 4.170 4.350 -0.000 0.000 0.200 175 E C 1.261 177.998 176.600 0.229 0.000 1.010 175 E CA 1.073 57.465 56.400 -0.012 0.000 0.841 175 E CB -0.195 29.387 29.700 -0.198 0.000 0.757 175 E HN 0.724 nan 8.360 nan 0.000 0.508 176 I N 1.748 122.432 120.570 0.191 0.000 2.480 176 I HA -0.069 4.101 4.170 -0.000 0.000 0.251 176 I C 1.389 177.626 176.117 0.200 0.000 1.124 176 I CA 1.453 62.850 61.300 0.162 0.000 1.444 176 I CB -0.731 37.292 38.000 0.037 0.000 1.098 176 I HN 0.133 nan 8.210 nan 0.000 0.428 177 T N -1.102 113.593 114.554 0.234 0.000 3.585 177 T HA 0.344 4.693 4.350 -0.000 0.000 0.252 177 T C -1.844 172.983 174.700 0.212 0.000 1.382 177 T CA -1.157 61.068 62.100 0.208 0.000 1.584 177 T CB 1.058 70.055 68.868 0.215 0.000 0.892 177 T HN 0.039 nan 8.240 nan 0.000 0.671 178 P HA 0.218 nan 4.420 nan 0.000 0.245 178 P C 1.545 178.927 177.300 0.136 0.000 1.203 178 P CA -0.141 63.097 63.100 0.230 0.000 0.792 178 P CB 0.273 32.170 31.700 0.328 0.000 0.997 179 L N 0.511 121.799 121.223 0.107 0.000 2.012 179 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 179 L C 2.720 179.671 176.870 0.136 0.000 1.073 179 L CA 2.544 57.434 54.840 0.083 0.000 0.748 179 L CB -1.988 40.109 42.059 0.064 0.000 0.891 179 L HN 0.099 nan 8.230 nan 0.000 0.431 180 T N -2.309 112.360 114.554 0.192 0.000 2.788 180 T HA -0.115 4.235 4.350 -0.000 0.000 0.268 180 T C 1.957 176.834 174.700 0.295 0.000 1.044 180 T CA 0.930 63.220 62.100 0.316 0.000 1.139 180 T CB -0.413 68.627 68.868 0.286 0.000 0.867 180 T HN 0.333 nan 8.240 nan 0.000 0.454 181 A N 1.794 124.725 122.820 0.186 0.000 1.898 181 A HA 0.183 4.503 4.320 -0.000 0.000 0.216 181 A C 2.418 180.086 177.584 0.140 0.000 1.181 181 A CA 1.242 53.370 52.037 0.152 0.000 0.620 181 A CB -0.813 18.268 19.000 0.135 0.000 0.819 181 A HN 0.548 nan 8.150 nan 0.000 0.442 182 L N -1.156 120.137 121.223 0.116 0.000 2.240 182 L HA -0.081 4.259 4.340 -0.000 0.000 0.211 182 L C 2.476 179.380 176.870 0.058 0.000 1.106 182 L CA 1.485 56.364 54.840 0.064 0.000 0.793 182 L CB -0.344 41.723 42.059 0.012 0.000 0.927 182 L HN 0.320 nan 8.230 nan 0.000 0.446 183 K N 0.905 121.363 120.400 0.098 0.000 2.097 183 K HA -0.173 4.147 4.320 -0.000 0.000 0.205 183 K C 1.968 178.660 176.600 0.154 0.000 1.050 183 K CA 1.097 57.418 56.287 0.056 0.000 0.938 183 K CB -0.291 32.184 32.500 -0.042 0.000 0.718 183 K HN 0.022 nan 8.250 nan 0.000 0.442 184 L N 0.579 122.005 121.223 0.337 0.000 2.042 184 L HA -0.067 4.273 4.340 -0.000 0.000 0.210 184 L C 2.068 179.027 176.870 0.149 0.000 1.076 184 L CA 2.151 57.180 54.840 0.316 0.000 0.749 184 L CB -1.075 41.118 42.059 0.222 0.000 0.893 184 L HN 0.256 nan 8.230 nan 0.000 0.432 185 A N -0.846 122.034 122.820 0.100 0.000 1.865 185 A HA -0.290 4.030 4.320 -0.000 0.000 0.217 185 A C 2.345 179.948 177.584 0.031 0.000 1.191 185 A CA 1.945 54.013 52.037 0.052 0.000 0.623 185 A CB -0.840 18.182 19.000 0.036 0.000 0.826 185 A HN 0.606 nan 8.150 nan 0.000 0.444 186 E N -0.181 120.028 120.200 0.015 0.000 2.058 186 E HA -0.184 4.165 4.350 -0.000 0.000 0.194 186 E C 2.024 178.628 176.600 0.005 0.000 0.997 186 E CA 1.354 57.748 56.400 -0.009 0.000 0.801 186 E CB -0.222 29.455 29.700 -0.038 0.000 0.746 186 E HN 0.629 nan 8.360 nan 0.000 0.450 187 L N 0.007 121.246 121.223 0.026 0.000 2.093 187 L HA -0.102 4.237 4.340 -0.000 0.000 0.208 187 L C 2.426 179.321 176.870 0.042 0.000 1.085 187 L CA 1.126 55.986 54.840 0.034 0.000 0.755 187 L CB -0.234 41.866 42.059 0.068 0.000 0.904 187 L HN 0.172 nan 8.230 nan 0.000 0.435 188 A N -1.139 121.718 122.820 0.061 0.000 2.308 188 A HA -0.028 4.292 4.320 -0.000 0.000 0.217 188 A C 2.137 179.763 177.584 0.070 0.000 1.216 188 A CA 0.007 52.085 52.037 0.068 0.000 0.864 188 A CB -0.147 18.909 19.000 0.092 0.000 0.902 188 A HN 0.184 nan 8.150 nan 0.000 0.499 189 K N 0.675 121.100 120.400 0.042 0.000 2.090 189 K HA -0.260 4.060 4.320 -0.000 0.000 0.218 189 K C 0.109 176.726 176.600 0.028 0.000 1.055 189 K CA 2.232 58.535 56.287 0.027 0.000 0.941 189 K CB -0.174 32.331 32.500 0.008 0.000 0.722 189 K HN 0.461 nan 8.250 nan 0.000 0.458 190 D N -0.564 119.844 120.400 0.013 0.000 2.368 190 D HA 0.108 4.748 4.640 -0.000 0.000 0.218 190 D C 1.487 177.768 176.300 -0.031 0.000 1.112 190 D CA 0.070 54.068 54.000 -0.002 0.000 0.834 190 D CB 0.260 41.054 40.800 -0.010 0.000 0.953 190 D HN 0.320 nan 8.370 nan 0.000 0.505 191 I N -0.463 120.084 120.570 -0.040 0.000 2.400 191 I HA -0.051 4.119 4.170 -0.000 0.000 0.248 191 I C 0.529 176.425 176.117 -0.367 0.000 1.109 191 I CA 0.766 61.950 61.300 -0.195 0.000 1.425 191 I CB 0.166 38.030 38.000 -0.225 0.000 1.094 191 I HN -0.185 nan 8.210 nan 0.000 0.425 192 F N 0.676 120.561 119.950 -0.109 0.000 2.483 192 F HA 0.431 4.957 4.527 -0.000 0.000 0.329 192 F C -2.056 173.648 175.800 -0.161 0.000 1.064 192 F CA -2.663 55.214 58.000 -0.205 0.000 0.986 192 F CB -0.100 38.667 39.000 -0.389 0.000 1.218 192 F HN -0.326 nan 8.300 nan 0.000 0.484 193 P HA 0.133 nan 4.420 nan 0.000 0.270 193 P C -1.069 176.229 177.300 -0.003 0.000 1.223 193 P CA -0.414 62.704 63.100 0.031 0.000 0.785 193 P CB 0.339 32.090 31.700 0.084 0.000 0.923 194 A N 2.111 124.936 122.820 0.009 0.000 2.583 194 A HA 0.333 4.653 4.320 -0.000 0.000 0.249 194 A C 1.565 179.139 177.584 -0.017 0.000 1.035 194 A CA 1.007 53.043 52.037 -0.002 0.000 0.777 194 A CB -1.679 17.326 19.000 0.009 0.000 0.942 194 A HN 0.903 nan 8.150 nan 0.000 0.516 195 G N 1.183 109.959 108.800 -0.041 0.000 2.234 195 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.235 195 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.235 195 G C 0.954 175.790 174.900 -0.106 0.000 0.997 195 G CA 0.502 45.571 45.100 -0.051 0.000 0.623 195 G HN 1.240 nan 8.290 nan 0.000 0.514 196 V N 0.180 119.981 119.914 -0.188 0.000 2.358 196 V HA 0.092 4.212 4.120 -0.000 0.000 0.246 196 V C 1.476 177.331 176.094 -0.398 0.000 1.047 196 V CA 1.946 64.014 62.300 -0.386 0.000 1.035 196 V CB 0.118 31.496 31.823 -0.741 0.000 0.658 196 V HN 0.364 nan 8.190 nan 0.000 0.452 197 V N 1.835 121.555 119.914 -0.323 0.000 2.448 197 V HA 0.450 4.569 4.120 -0.000 0.000 0.295 197 V C -0.627 175.384 176.094 -0.138 0.000 1.025 197 V CA -0.719 61.417 62.300 -0.273 0.000 0.859 197 V CB 1.560 33.192 31.823 -0.319 0.000 0.988 197 V HN 0.467 nan 8.190 nan 0.000 0.431 198 N N 5.464 124.101 118.700 -0.104 0.000 2.258 198 N HA 0.675 5.415 4.740 -0.000 0.000 0.299 198 N C -1.344 174.149 175.510 -0.027 0.000 1.047 198 N CA -0.518 52.500 53.050 -0.053 0.000 0.814 198 N CB 3.119 41.579 38.487 -0.045 0.000 1.413 198 N HN 0.457 nan 8.380 nan 0.000 0.478 199 I N 2.402 122.973 120.570 0.002 0.000 2.466 199 I HA 0.442 4.612 4.170 -0.000 0.000 0.289 199 I C -0.326 175.827 176.117 0.060 0.000 1.026 199 I CA -0.598 60.721 61.300 0.032 0.000 1.078 199 I CB 1.736 39.762 38.000 0.043 0.000 1.249 199 I HN 0.234 nan 8.210 nan 0.000 0.429 200 L N 4.762 126.034 121.223 0.081 0.000 2.267 200 L HA 0.673 5.013 4.340 -0.000 0.000 0.264 200 L C -1.104 175.885 176.870 0.199 0.000 1.021 200 L CA -0.933 53.975 54.840 0.113 0.000 0.861 200 L CB 1.956 44.059 42.059 0.074 0.000 1.443 200 L HN 0.452 nan 8.230 nan 0.000 0.475 201 F N -0.468 119.505 119.950 0.038 0.000 2.608 201 F HA 0.774 5.300 4.527 -0.000 0.000 0.309 201 F C -0.281 175.544 175.800 0.042 0.000 1.103 201 F CA 0.045 58.071 58.000 0.044 0.000 0.954 201 F CB 2.225 41.255 39.000 0.048 0.000 1.267 201 F HN 0.537 nan 8.300 nan 0.000 0.444 202 G N 3.800 112.039 108.800 -0.934 0.000 2.352 202 G HA2 0.248 4.207 3.960 -0.000 0.000 0.302 202 G HA3 0.248 4.207 3.960 -0.000 0.000 0.302 202 G C -1.873 172.731 174.900 -0.493 0.000 1.370 202 G CA -1.358 43.260 45.100 -0.803 0.000 0.918 202 G HN 0.834 nan 8.290 nan 0.000 0.610 203 R N -0.554 119.754 120.500 -0.319 0.000 2.652 203 R HA 0.498 4.837 4.340 -0.000 0.000 0.271 203 R C 1.909 178.141 176.300 -0.113 0.000 1.129 203 R CA 0.179 56.174 56.100 -0.175 0.000 1.200 203 R CB 0.381 30.610 30.300 -0.117 0.000 1.146 203 R HN 0.749 nan 8.270 nan 0.000 0.581 204 G N 0.652 109.405 108.800 -0.079 0.000 2.421 204 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.216 204 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.216 204 G C 1.160 176.018 174.900 -0.069 0.000 1.171 204 G CA 0.574 45.637 45.100 -0.063 0.000 0.775 204 G HN 0.389 nan 8.290 nan 0.000 0.543 205 K N -0.427 119.926 120.400 -0.078 0.000 2.155 205 K HA -0.045 4.274 4.320 -0.000 0.000 0.203 205 K C 2.630 179.203 176.600 -0.045 0.000 1.052 205 K CA 1.493 57.737 56.287 -0.072 0.000 0.948 205 K CB -0.139 32.318 32.500 -0.072 0.000 0.728 205 K HN 0.400 nan 8.250 nan 0.000 0.448 206 T N -1.100 113.426 114.554 -0.047 0.000 3.040 206 T HA 0.058 4.408 4.350 -0.000 0.000 0.252 206 T C 1.550 176.237 174.700 -0.022 0.000 1.064 206 T CA 0.453 62.535 62.100 -0.030 0.000 1.110 206 T CB 0.405 69.252 68.868 -0.036 0.000 0.921 206 T HN -0.086 nan 8.240 nan 0.000 0.480 207 V N -0.099 119.792 119.914 -0.038 0.000 3.137 207 V HA 0.393 4.513 4.120 -0.000 0.000 0.236 207 V C 2.800 178.892 176.094 -0.003 0.000 1.260 207 V CA 0.748 63.035 62.300 -0.022 0.000 1.244 207 V CB -0.326 31.464 31.823 -0.055 0.000 1.016 207 V HN 0.468 nan 8.190 nan 0.000 0.477 208 G N -0.003 108.786 108.800 -0.018 0.000 2.394 208 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.214 208 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.214 208 G C 1.141 176.050 174.900 0.015 0.000 1.176 208 G CA 1.063 46.164 45.100 0.002 0.000 0.786 208 G HN 0.432 nan 8.290 nan 0.000 0.533 209 D N 1.054 121.442 120.400 -0.021 0.000 2.106 209 D HA -0.101 4.539 4.640 -0.000 0.000 0.191 209 D C 0.245 176.628 176.300 0.139 0.000 0.997 209 D CA 1.502 55.469 54.000 -0.054 0.000 0.834 209 D CB -1.068 39.668 40.800 -0.107 0.000 0.956 209 D HN 0.285 nan 8.370 nan 0.000 0.448 210 P HA -0.087 nan 4.420 nan 0.000 0.221 210 P C 1.901 179.289 177.300 0.146 0.000 1.150 210 P CA 0.685 63.860 63.100 0.125 0.000 0.800 210 P CB 0.107 31.857 31.700 0.082 0.000 0.787 211 L N 1.005 122.302 121.223 0.123 0.000 2.023 211 L HA -0.060 4.280 4.340 -0.000 0.000 0.205 211 L C 2.407 179.362 176.870 0.141 0.000 1.073 211 L CA 2.857 57.770 54.840 0.122 0.000 0.745 211 L CB -1.860 40.241 42.059 0.071 0.000 0.900 211 L HN 0.012 nan 8.230 nan 0.000 0.435 212 T N -3.616 111.025 114.554 0.144 0.000 2.995 212 T HA 0.001 4.351 4.350 -0.000 0.000 0.269 212 T C 1.779 176.585 174.700 0.178 0.000 1.091 212 T CA 0.685 62.879 62.100 0.157 0.000 1.128 212 T CB -1.020 67.946 68.868 0.163 0.000 0.891 212 T HN 0.406 nan 8.240 nan 0.000 0.492 213 G N 0.009 108.939 108.800 0.217 0.000 2.712 213 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.212 213 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.212 213 G C 0.559 175.475 174.900 0.026 0.000 1.142 213 G CA -0.352 44.774 45.100 0.043 0.000 0.789 213 G HN 0.599 nan 8.290 nan 0.000 0.535 214 H N 1.538 120.620 119.070 0.021 0.000 3.070 214 H HA 0.054 4.609 4.556 -0.000 0.000 0.313 214 H C -1.309 174.013 175.328 -0.010 0.000 0.997 214 H CA -1.260 54.793 56.048 0.007 0.000 1.438 214 H CB 1.756 31.526 29.762 0.014 0.000 1.455 214 H HN 0.001 nan 8.280 nan 0.000 0.575 215 P HA -0.147 nan 4.420 nan 0.000 0.219 215 P C 1.112 178.513 177.300 0.169 0.000 1.146 215 P CA 1.291 64.440 63.100 0.082 0.000 0.808 215 P CB 0.409 32.112 31.700 0.005 0.000 0.779 216 K N -0.892 119.724 120.400 0.360 0.000 2.486 216 K HA 0.081 4.401 4.320 -0.000 0.000 0.194 216 K C 0.380 176.985 176.600 0.008 0.000 1.033 216 K CA 0.217 56.574 56.287 0.118 0.000 1.004 216 K CB -0.339 32.169 32.500 0.013 0.000 0.798 216 K HN 0.120 nan 8.250 nan 0.000 0.495 217 V N 2.911 122.852 119.914 0.044 0.000 2.455 217 V HA 0.085 4.205 4.120 -0.000 0.000 0.273 217 V C 1.286 177.378 176.094 -0.004 0.000 1.045 217 V CA -0.064 62.235 62.300 -0.001 0.000 0.976 217 V CB 1.262 33.106 31.823 0.036 0.000 0.993 217 V HN 0.097 nan 8.190 nan 0.000 0.475 218 R N 3.126 123.603 120.500 -0.037 0.000 2.254 218 R HA 0.385 4.725 4.340 -0.000 0.000 0.193 218 R C 0.182 176.471 176.300 -0.019 0.000 0.929 218 R CA 0.415 56.494 56.100 -0.035 0.000 1.038 218 R CB 0.276 30.535 30.300 -0.069 0.000 1.009 218 R HN 0.671 nan 8.270 nan 0.000 0.512 219 M N 0.356 119.952 119.600 -0.008 0.000 2.433 219 M HA 0.350 4.830 4.480 -0.000 0.000 0.290 219 M C -1.708 174.617 176.300 0.041 0.000 1.173 219 M CA -0.652 54.655 55.300 0.011 0.000 0.905 219 M CB 2.605 35.205 32.600 -0.001 0.000 1.692 219 M HN -0.302 nan 8.290 nan 0.000 0.462 220 V N 2.549 122.498 119.914 0.059 0.000 2.444 220 V HA 0.519 4.639 4.120 -0.000 0.000 0.294 220 V C -0.538 175.625 176.094 0.115 0.000 1.022 220 V CA -0.594 61.754 62.300 0.081 0.000 0.850 220 V CB 1.627 33.495 31.823 0.075 0.000 0.992 220 V HN 0.848 nan 8.190 nan 0.000 0.426 221 S N 5.119 120.901 115.700 0.138 0.000 2.456 221 S HA 0.786 5.256 4.470 -0.000 0.000 0.316 221 S C -1.032 173.661 174.600 0.156 0.000 1.089 221 S CA -0.467 57.852 58.200 0.199 0.000 1.101 221 S CB 0.935 64.282 63.200 0.244 0.000 0.995 221 S HN 0.649 nan 8.310 nan 0.000 0.468 222 L N 5.114 126.417 121.223 0.134 0.000 2.381 222 L HA 0.662 5.002 4.340 -0.000 0.000 0.274 222 L C -0.648 176.256 176.870 0.057 0.000 0.988 222 L CA 0.102 54.985 54.840 0.071 0.000 0.824 222 L CB 2.153 44.228 42.059 0.027 0.000 1.263 222 L HN 0.576 nan 8.230 nan 0.000 0.410 223 T N 4.374 118.959 114.554 0.053 0.000 2.758 223 T HA 0.883 5.233 4.350 -0.000 0.000 0.285 223 T C 0.104 174.767 174.700 -0.061 0.000 0.981 223 T CA 0.107 62.218 62.100 0.018 0.000 0.965 223 T CB 1.218 70.127 68.868 0.068 0.000 0.927 223 T HN 1.026 nan 8.240 nan 0.000 0.448 224 G N 1.879 110.615 108.800 -0.108 0.000 2.393 224 G HA2 0.501 4.460 3.960 -0.000 0.000 0.264 224 G HA3 0.501 4.460 3.960 -0.000 0.000 0.264 224 G C -0.547 174.243 174.900 -0.183 0.000 1.221 224 G CA -0.293 44.702 45.100 -0.175 0.000 0.912 224 G HN 0.836 nan 8.290 nan 0.000 0.483 225 S N -0.880 114.724 115.700 -0.159 0.000 2.681 225 S HA 0.526 4.996 4.470 -0.000 0.000 0.270 225 S C 1.524 176.080 174.600 -0.074 0.000 1.209 225 S CA -0.191 57.927 58.200 -0.136 0.000 0.988 225 S CB 1.081 64.216 63.200 -0.110 0.000 1.006 225 S HN 0.556 nan 8.310 nan 0.000 0.558 226 I N 0.947 121.490 120.570 -0.046 0.000 2.179 226 I HA -0.186 3.984 4.170 -0.000 0.000 0.242 226 I C 2.933 179.036 176.117 -0.023 0.000 1.088 226 I CA 1.629 62.907 61.300 -0.036 0.000 1.357 226 I CB -1.029 36.952 38.000 -0.031 0.000 1.051 226 I HN 0.855 nan 8.210 nan 0.000 0.409 227 A N 0.701 123.512 122.820 -0.015 0.000 1.865 227 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 227 A C 2.395 179.992 177.584 0.022 0.000 1.191 227 A CA 2.710 54.747 52.037 0.001 0.000 0.623 227 A CB -1.280 17.715 19.000 -0.009 0.000 0.826 227 A HN 0.404 nan 8.150 nan 0.000 0.444 228 T N -0.096 114.461 114.554 0.005 0.000 2.665 228 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 228 T C 1.957 176.686 174.700 0.049 0.000 1.035 228 T CA 1.769 63.887 62.100 0.030 0.000 1.151 228 T CB -0.891 67.974 68.868 -0.005 0.000 0.862 228 T HN 0.639 nan 8.240 nan 0.000 0.438 229 G N 1.121 109.923 108.800 0.003 0.000 2.459 229 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.217 229 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.217 229 G C 1.371 176.277 174.900 0.011 0.000 1.183 229 G CA 1.258 46.349 45.100 -0.015 0.000 0.776 229 G HN 0.672 nan 8.290 nan 0.000 0.552 230 E N -0.333 119.879 120.200 0.020 0.000 2.118 230 E HA -0.282 4.068 4.350 -0.000 0.000 0.195 230 E C 2.105 178.740 176.600 0.057 0.000 0.992 230 E CA 1.298 57.718 56.400 0.033 0.000 0.804 230 E CB -0.486 29.232 29.700 0.030 0.000 0.741 230 E HN 0.668 nan 8.360 nan 0.000 0.458 231 H N 0.472 119.541 119.070 -0.001 0.000 2.395 231 H HA -0.051 4.504 4.556 -0.000 0.000 0.299 231 H C 2.129 177.479 175.328 0.036 0.000 1.070 231 H CA 1.525 57.576 56.048 0.006 0.000 1.356 231 H CB 0.050 29.797 29.762 -0.026 0.000 1.401 231 H HN 0.282 nan 8.280 nan 0.000 0.524 232 I N 0.505 121.033 120.570 -0.068 0.000 2.286 232 I HA -0.239 3.930 4.170 -0.000 0.000 0.245 232 I C 2.473 178.577 176.117 -0.022 0.000 1.104 232 I CA 0.762 62.027 61.300 -0.059 0.000 1.397 232 I CB -0.123 37.895 38.000 0.029 0.000 1.072 232 I HN 0.194 nan 8.210 nan 0.000 0.417 233 I N 0.055 120.624 120.570 -0.001 0.000 2.286 233 I HA -0.277 3.893 4.170 -0.000 0.000 0.248 233 I C 2.585 178.696 176.117 -0.011 0.000 1.115 233 I CA 1.175 62.486 61.300 0.018 0.000 1.392 233 I CB -0.313 37.714 38.000 0.046 0.000 1.065 233 I HN 0.128 nan 8.210 nan 0.000 0.418 234 S N -0.479 115.199 115.700 -0.036 0.000 2.348 234 S HA -0.272 4.198 4.470 -0.000 0.000 0.221 234 S C 2.048 176.617 174.600 -0.050 0.000 1.033 234 S CA 1.528 59.705 58.200 -0.039 0.000 1.010 234 S CB -0.473 62.708 63.200 -0.033 0.000 0.891 234 S HN 0.511 nan 8.310 nan 0.000 0.442 235 H N 1.434 120.364 119.070 -0.232 0.000 2.421 235 H HA -0.056 4.500 4.556 -0.000 0.000 0.298 235 H C 1.969 177.230 175.328 -0.112 0.000 1.087 235 H CA 1.924 57.838 56.048 -0.222 0.000 1.330 235 H CB -0.137 29.390 29.762 -0.392 0.000 1.388 235 H HN 0.482 nan 8.280 nan 0.000 0.526 236 T N -3.340 111.164 114.554 -0.084 0.000 3.069 236 T HA 0.419 4.768 4.350 -0.000 0.000 0.252 236 T C 1.979 176.637 174.700 -0.069 0.000 1.053 236 T CA 0.190 62.235 62.100 -0.092 0.000 0.964 236 T CB 0.075 68.935 68.868 -0.015 0.000 1.005 236 T HN 0.352 nan 8.240 nan 0.000 0.532 237 A N 2.790 125.572 122.820 -0.063 0.000 1.908 237 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 237 A C 2.634 180.187 177.584 -0.051 0.000 1.181 237 A CA 2.089 54.098 52.037 -0.046 0.000 0.627 237 A CB -1.239 17.738 19.000 -0.038 0.000 0.818 237 A HN 0.761 nan 8.150 nan 0.000 0.445 238 S N 0.006 115.664 115.700 -0.069 0.000 2.465 238 S HA -0.100 4.370 4.470 -0.000 0.000 0.241 238 S C 1.413 175.981 174.600 -0.053 0.000 1.000 238 S CA 1.577 59.740 58.200 -0.062 0.000 0.964 238 S CB -0.566 62.587 63.200 -0.077 0.000 0.763 238 S HN 1.091 nan 8.310 nan 0.000 0.512 239 S N 0.525 116.192 115.700 -0.054 0.000 2.749 239 S HA 0.396 4.866 4.470 -0.000 0.000 0.246 239 S C 0.554 175.136 174.600 -0.029 0.000 1.023 239 S CA -0.307 57.870 58.200 -0.039 0.000 1.012 239 S CB -0.522 62.655 63.200 -0.038 0.000 0.942 239 S HN 0.438 nan 8.310 nan 0.000 0.531 240 I N 0.643 121.194 120.570 -0.031 0.000 6.450 240 I HA -0.249 3.920 4.170 -0.000 0.000 0.126 240 I C -0.054 176.050 176.117 -0.022 0.000 1.777 240 I CA 0.864 62.147 61.300 -0.028 0.000 2.236 240 I CB -2.622 35.361 38.000 -0.028 0.000 3.397 240 I HN 0.545 nan 8.210 nan 0.000 0.226 241 K N 1.798 122.187 120.400 -0.017 0.000 2.448 241 K HA 0.186 4.506 4.320 -0.000 0.000 0.278 241 K C 0.920 177.519 176.600 -0.002 0.000 1.009 241 K CA -0.436 55.847 56.287 -0.007 0.000 0.995 241 K CB 0.791 33.293 32.500 0.003 0.000 0.917 241 K HN 0.236 nan 8.250 nan 0.000 0.481 242 R N 1.709 122.205 120.500 -0.006 0.000 2.570 242 R HA -0.005 4.335 4.340 -0.000 0.000 0.277 242 R C -0.132 176.191 176.300 0.038 0.000 1.039 242 R CA 0.490 56.587 56.100 -0.005 0.000 1.065 242 R CB 0.403 30.687 30.300 -0.026 0.000 0.964 242 R HN 0.729 nan 8.270 nan 0.000 0.428 243 T N 0.654 115.261 114.554 0.089 0.000 2.908 243 T HA 0.345 4.695 4.350 -0.000 0.000 0.290 243 T C -1.022 173.861 174.700 0.305 0.000 1.034 243 T CA -0.878 61.329 62.100 0.179 0.000 1.010 243 T CB 1.808 70.802 68.868 0.210 0.000 1.068 243 T HN 0.753 nan 8.240 nan 0.000 0.481 244 H N 0.693 119.831 119.070 0.112 0.000 3.018 244 H HA 0.668 5.224 4.556 -0.000 0.000 0.334 244 H C -1.562 173.738 175.328 -0.048 0.000 0.983 244 H CA -0.638 55.443 56.048 0.056 0.000 1.363 244 H CB 1.457 31.183 29.762 -0.060 0.000 1.668 244 H HN 0.700 nan 8.280 nan 0.000 0.513 245 M N 3.857 123.171 119.600 -0.476 0.000 2.267 245 M HA 0.320 4.799 4.480 -0.000 0.000 0.289 245 M C -1.637 174.422 176.300 -0.400 0.000 1.043 245 M CA -0.379 54.647 55.300 -0.456 0.000 0.928 245 M CB 1.977 34.159 32.600 -0.697 0.000 1.613 245 M HN 0.582 nan 8.290 nan 0.000 0.450 246 E N 5.368 125.454 120.200 -0.190 0.000 2.325 246 E HA 0.317 4.667 4.350 -0.000 0.000 0.248 246 E C -1.364 175.201 176.600 -0.059 0.000 0.912 246 E CA -0.031 56.310 56.400 -0.099 0.000 0.782 246 E CB 0.882 30.606 29.700 0.040 0.000 1.264 246 E HN 0.845 nan 8.360 nan 0.000 0.417 247 L N 3.045 124.226 121.223 -0.071 0.000 3.017 247 L HA 0.430 4.770 4.340 -0.000 0.000 0.255 247 L C 0.852 177.732 176.870 0.015 0.000 1.247 247 L CA -0.021 54.788 54.840 -0.053 0.000 1.038 247 L CB 0.218 42.232 42.059 -0.075 0.000 1.380 247 L HN 0.700 nan 8.230 nan 0.000 0.548 248 G N -0.290 108.544 108.800 0.055 0.000 2.710 248 G HA2 0.157 4.117 3.960 -0.000 0.000 0.668 248 G HA3 0.157 4.117 3.960 -0.000 0.000 0.668 248 G C -0.440 174.572 174.900 0.187 0.000 1.320 248 G CA -0.555 44.610 45.100 0.108 0.000 0.860 248 G HN 0.498 nan 8.290 nan 0.000 0.538 249 G N -1.240 107.609 108.800 0.082 0.000 2.663 249 G HA2 0.804 4.764 3.960 -0.000 0.000 0.299 249 G HA3 0.804 4.764 3.960 -0.000 0.000 0.299 249 G C -1.206 173.462 174.900 -0.387 0.000 1.372 249 G CA 0.229 45.319 45.100 -0.016 0.000 0.781 249 G HN 1.277 nan 8.290 nan 0.000 0.491 250 K N -0.111 120.149 120.400 -0.232 0.000 2.865 250 K HA 0.619 4.938 4.320 -0.000 0.000 0.215 250 K C -0.244 176.398 176.600 0.071 0.000 1.120 250 K CA -0.233 55.947 56.287 -0.179 0.000 1.037 250 K CB 0.727 33.015 32.500 -0.353 0.000 1.233 250 K HN 0.857 nan 8.250 nan 0.000 0.577 251 A N 4.389 127.278 122.820 0.114 0.000 2.396 251 A HA 0.409 4.729 4.320 -0.000 0.000 0.279 251 A C -2.258 175.394 177.584 0.114 0.000 1.165 251 A CA -1.179 50.946 52.037 0.146 0.000 0.824 251 A CB -0.342 18.888 19.000 0.384 0.000 1.100 251 A HN 0.447 nan 8.150 nan 0.000 0.516 252 P HA 0.219 nan 4.420 nan 0.000 0.271 252 P C -0.616 176.813 177.300 0.215 0.000 1.220 252 P CA 0.034 63.230 63.100 0.161 0.000 0.768 252 P CB 0.965 32.755 31.700 0.151 0.000 0.848 253 V N 5.896 125.952 119.914 0.237 0.000 2.293 253 V HA 0.282 4.402 4.120 -0.000 0.000 0.275 253 V C 0.512 176.791 176.094 0.307 0.000 1.021 253 V CA -0.389 62.088 62.300 0.295 0.000 0.815 253 V CB 0.413 32.319 31.823 0.139 0.000 1.025 253 V HN 0.413 nan 8.190 nan 0.000 0.448 254 I N 5.336 126.116 120.570 0.349 0.000 2.301 254 I HA 0.340 4.510 4.170 -0.000 0.000 0.292 254 I C -0.398 175.909 176.117 0.318 0.000 1.046 254 I CA -0.385 61.059 61.300 0.240 0.000 1.282 254 I CB 1.425 39.451 38.000 0.044 0.000 1.409 254 I HN 0.267 nan 8.210 nan 0.000 0.484 255 V N 7.439 127.526 119.914 0.289 0.000 2.350 255 V HA 0.364 4.483 4.120 -0.000 0.000 0.285 255 V C -0.076 176.147 176.094 0.215 0.000 1.014 255 V CA -0.544 61.926 62.300 0.282 0.000 0.831 255 V CB 0.914 32.818 31.823 0.134 0.000 1.000 255 V HN 0.387 nan 8.190 nan 0.000 0.433 256 F N 1.676 121.841 119.950 0.359 0.000 2.368 256 F HA 0.326 4.852 4.527 -0.000 0.000 0.315 256 F C 1.629 177.500 175.800 0.120 0.000 1.145 256 F CA -0.285 57.862 58.000 0.246 0.000 1.095 256 F CB 0.628 39.778 39.000 0.250 0.000 1.286 256 F HN 0.433 nan 8.300 nan 0.000 0.530 257 D N 0.240 120.800 120.400 0.267 0.000 2.221 257 D HA -0.155 4.485 4.640 -0.000 0.000 0.204 257 D C 1.301 177.688 176.300 0.144 0.000 0.982 257 D CA 1.380 55.463 54.000 0.139 0.000 0.857 257 D CB -0.312 40.546 40.800 0.095 0.000 0.934 257 D HN 0.510 nan 8.370 nan 0.000 0.475 258 D N -0.496 120.015 120.400 0.185 0.000 2.342 258 D HA 0.153 4.792 4.640 -0.000 0.000 0.221 258 D C 0.391 176.791 176.300 0.166 0.000 1.101 258 D CA -0.276 53.809 54.000 0.140 0.000 0.837 258 D CB -0.346 40.517 40.800 0.105 0.000 0.938 258 D HN -0.028 nan 8.370 nan 0.000 0.508 259 A N 0.426 123.375 122.820 0.215 0.000 2.332 259 A HA 0.236 4.556 4.320 -0.000 0.000 0.258 259 A C 0.166 177.862 177.584 0.187 0.000 1.087 259 A CA -0.444 51.744 52.037 0.252 0.000 0.802 259 A CB 0.353 19.545 19.000 0.321 0.000 1.042 259 A HN 0.122 nan 8.150 nan 0.000 0.489 260 D N 1.449 121.979 120.400 0.217 0.000 2.344 260 D HA 0.122 4.762 4.640 -0.000 0.000 0.253 260 D C 0.880 177.250 176.300 0.117 0.000 1.255 260 D CA -0.333 53.764 54.000 0.161 0.000 0.894 260 D CB 0.227 41.137 40.800 0.184 0.000 1.067 260 D HN 0.252 nan 8.370 nan 0.000 0.492 261 I N 3.257 123.864 120.570 0.061 0.000 2.500 261 I HA -0.117 4.053 4.170 -0.000 0.000 0.252 261 I C 1.948 178.044 176.117 -0.035 0.000 1.142 261 I CA 0.722 62.023 61.300 0.001 0.000 1.451 261 I CB -0.617 37.379 38.000 -0.007 0.000 1.093 261 I HN 0.505 nan 8.210 nan 0.000 0.430 262 E N 0.810 121.007 120.200 -0.005 0.000 2.208 262 E HA -0.084 4.266 4.350 -0.000 0.000 0.193 262 E C 2.314 178.904 176.600 -0.016 0.000 0.988 262 E CA 1.039 57.427 56.400 -0.020 0.000 0.828 262 E CB 0.068 29.767 29.700 -0.003 0.000 0.763 262 E HN 0.446 nan 8.360 nan 0.000 0.478 263 A N 0.375 123.220 122.820 0.042 0.000 1.897 263 A HA -0.090 4.229 4.320 -0.000 0.000 0.215 263 A C 2.378 179.964 177.584 0.002 0.000 1.181 263 A CA 0.710 52.818 52.037 0.117 0.000 0.620 263 A CB -0.465 18.700 19.000 0.275 0.000 0.821 263 A HN 0.110 nan 8.150 nan 0.000 0.443 264 V N -0.237 119.534 119.914 -0.238 0.000 2.252 264 V HA -0.279 3.841 4.120 -0.000 0.000 0.249 264 V C 2.568 178.385 176.094 -0.461 0.000 1.056 264 V CA 2.245 64.078 62.300 -0.779 0.000 1.022 264 V CB -0.910 30.511 31.823 -0.670 0.000 0.641 264 V HN 0.363 nan 8.190 nan 0.000 0.445 265 V N -0.136 119.621 119.914 -0.261 0.000 2.295 265 V HA -0.304 3.816 4.120 -0.000 0.000 0.246 265 V C 2.496 178.477 176.094 -0.187 0.000 1.049 265 V CA 2.394 64.576 62.300 -0.198 0.000 1.024 265 V CB -0.570 31.171 31.823 -0.137 0.000 0.648 265 V HN 0.731 nan 8.190 nan 0.000 0.447 266 E N 0.273 120.381 120.200 -0.153 0.000 2.085 266 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 266 E C 2.210 178.654 176.600 -0.261 0.000 0.994 266 E CA 1.704 58.014 56.400 -0.151 0.000 0.801 266 E CB -0.566 29.089 29.700 -0.074 0.000 0.743 266 E HN 0.540 nan 8.360 nan 0.000 0.453 267 G N 0.208 108.861 108.800 -0.246 0.000 2.414 267 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.215 267 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.215 267 G C 1.671 176.215 174.900 -0.595 0.000 1.188 267 G CA 0.909 45.772 45.100 -0.394 0.000 0.783 267 G HN 0.250 nan 8.290 nan 0.000 0.537 268 V N 1.040 120.763 119.914 -0.317 0.000 2.515 268 V HA -0.110 4.009 4.120 -0.000 0.000 0.250 268 V C 2.758 178.771 176.094 -0.134 0.000 1.058 268 V CA 1.856 64.026 62.300 -0.217 0.000 1.064 268 V CB -0.434 31.274 31.823 -0.192 0.000 0.675 268 V HN 0.420 nan 8.190 nan 0.000 0.461 269 R N 0.010 120.416 120.500 -0.156 0.000 2.120 269 R HA -0.168 4.172 4.340 -0.000 0.000 0.234 269 R C 2.104 178.355 176.300 -0.082 0.000 1.123 269 R CA 2.070 58.123 56.100 -0.079 0.000 0.975 269 R CB -0.309 29.899 30.300 -0.152 0.000 0.866 269 R HN 0.534 nan 8.270 nan 0.000 0.446 270 T N 0.282 114.638 114.554 -0.330 0.000 2.809 270 T HA -0.010 4.339 4.350 -0.000 0.000 0.260 270 T C 1.184 175.680 174.700 -0.341 0.000 1.039 270 T CA 1.149 63.028 62.100 -0.368 0.000 1.141 270 T CB -0.148 68.319 68.868 -0.669 0.000 0.869 270 T HN 0.167 nan 8.240 nan 0.000 0.437 271 F N 1.223 120.963 119.950 -0.351 0.000 2.664 271 F HA 0.359 4.886 4.527 -0.000 0.000 0.296 271 F C 2.452 177.922 175.800 -0.550 0.000 1.125 271 F CA -0.512 57.017 58.000 -0.785 0.000 1.444 271 F CB -1.186 37.418 39.000 -0.660 0.000 1.114 271 F HN 0.196 nan 8.300 nan 0.000 0.576 272 G N -1.376 107.279 108.800 -0.242 0.000 2.448 272 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.218 272 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.218 272 G C 0.907 175.404 174.900 -0.670 0.000 1.135 272 G CA 0.722 45.522 45.100 -0.500 0.000 0.784 272 G HN 0.418 nan 8.290 nan 0.000 0.543 273 Y N -2.537 117.728 120.300 -0.058 0.000 2.563 273 Y HA 0.357 4.907 4.550 -0.000 0.000 0.250 273 Y C 0.419 176.338 175.900 0.031 0.000 1.126 273 Y CA -1.822 56.272 58.100 -0.011 0.000 1.231 273 Y CB -0.111 38.336 38.460 -0.022 0.000 1.288 273 Y HN 0.098 nan 8.280 nan 0.000 0.537 274 Y N 2.524 122.847 120.300 0.039 0.000 2.702 274 Y HA 0.009 4.559 4.550 -0.000 0.000 0.336 274 Y C 1.226 177.204 175.900 0.129 0.000 1.235 274 Y CA 0.367 58.519 58.100 0.086 0.000 1.492 274 Y CB 0.256 38.762 38.460 0.078 0.000 1.308 274 Y HN 0.349 nan 8.280 nan 0.000 0.589 275 N N 3.032 121.503 118.700 -0.382 0.000 2.741 275 N HA -0.285 4.454 4.740 -0.000 0.000 0.251 275 N C 0.183 175.630 175.510 -0.105 0.000 1.112 275 N CA 1.366 54.269 53.050 -0.245 0.000 0.750 275 N CB -1.355 37.064 38.487 -0.112 0.000 1.119 275 N HN 1.274 nan 8.380 nan 0.000 0.561 276 A N -2.258 120.540 122.820 -0.037 0.000 2.847 276 A HA 0.053 4.373 4.320 -0.000 0.000 0.263 276 A C 2.192 179.785 177.584 0.015 0.000 1.391 276 A CA 1.822 53.879 52.037 0.034 0.000 0.866 276 A CB -2.000 17.012 19.000 0.021 0.000 1.057 276 A HN 2.112 nan 8.150 nan 0.000 0.673 277 G N -2.319 106.467 108.800 -0.022 0.000 2.162 277 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.260 277 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.260 277 G C 0.015 174.743 174.900 -0.285 0.000 0.976 277 G CA 0.868 45.903 45.100 -0.109 0.000 0.655 277 G HN 1.520 nan 8.290 nan 0.000 0.533 278 Q N 0.904 120.491 119.800 -0.356 0.000 3.006 278 Q HA 0.441 4.781 4.340 -0.000 0.000 0.260 278 Q C -0.650 174.782 176.000 -0.946 0.000 1.356 278 Q CA -0.075 55.162 55.803 -0.943 0.000 1.070 278 Q CB 0.595 29.230 28.738 -0.172 0.000 1.507 278 Q HN 0.388 nan 8.270 nan 0.000 0.568 279 D N -0.043 119.803 120.400 -0.923 0.000 2.990 279 D HA 0.120 4.759 4.640 -0.000 0.000 0.227 279 D C -0.050 176.297 176.300 0.078 0.000 1.249 279 D CA -0.627 53.319 54.000 -0.091 0.000 0.891 279 D CB 1.861 42.869 40.800 0.346 0.000 1.647 279 D HN 0.315 nan 8.370 nan 0.000 0.530 280 C N 1.542 121.055 119.300 0.356 0.000 2.472 280 C HA 0.006 4.466 4.460 -0.000 0.000 0.278 280 C C 1.965 177.173 174.990 0.363 0.000 1.447 280 C CA 1.077 60.362 59.018 0.444 0.000 1.773 280 C CB -1.294 26.685 27.740 0.399 0.000 1.793 280 C HN 0.684 nan 8.230 nan 0.000 0.544 281 T N -2.220 112.561 114.554 0.377 0.000 3.174 281 T HA 0.490 4.840 4.350 -0.000 0.000 0.269 281 T C 0.480 175.557 174.700 0.628 0.000 1.017 281 T CA 0.288 62.678 62.100 0.483 0.000 0.899 281 T CB -0.110 69.052 68.868 0.489 0.000 1.077 281 T HN 0.351 nan 8.240 nan 0.000 0.552 282 A N 1.291 124.379 122.820 0.447 0.000 2.565 282 A HA 0.587 4.906 4.320 -0.000 0.000 0.237 282 A C 1.122 178.811 177.584 0.175 0.000 1.053 282 A CA 0.064 52.279 52.037 0.297 0.000 0.755 282 A CB -0.420 18.619 19.000 0.065 0.000 0.980 282 A HN 0.958 nan 8.150 nan 0.000 0.506 283 A N 2.106 124.853 122.820 -0.123 0.000 3.030 283 A HA 0.322 4.641 4.320 -0.000 0.000 0.273 283 A C 1.140 178.593 177.584 -0.219 0.000 1.841 283 A CA 0.301 52.097 52.037 -0.401 0.000 1.479 283 A CB -1.546 17.056 19.000 -0.662 0.000 1.048 283 A HN 1.683 nan 8.150 nan 0.000 0.612 284 C N -0.253 118.977 119.300 -0.117 0.000 3.065 284 C HA 0.489 4.949 4.460 -0.000 0.000 0.285 284 C C 0.910 175.835 174.990 -0.108 0.000 1.257 284 C CA -0.227 58.712 59.018 -0.130 0.000 1.691 284 C CB -1.121 26.569 27.740 -0.084 0.000 2.089 284 C HN 0.766 nan 8.230 nan 0.000 0.630 285 R N 1.169 121.616 120.500 -0.088 0.000 2.467 285 R HA 0.688 5.027 4.340 -0.000 0.000 0.299 285 R C -1.495 174.710 176.300 -0.159 0.000 1.120 285 R CA -0.612 55.407 56.100 -0.137 0.000 0.940 285 R CB 0.354 30.584 30.300 -0.117 0.000 1.161 285 R HN 0.438 nan 8.270 nan 0.000 0.506 286 I N 4.396 124.869 120.570 -0.161 0.000 2.342 286 I HA 0.223 4.393 4.170 -0.000 0.000 0.291 286 I C -0.580 175.448 176.117 -0.148 0.000 1.010 286 I CA -0.899 60.350 61.300 -0.085 0.000 1.308 286 I CB 0.803 38.777 38.000 -0.043 0.000 1.400 286 I HN 0.563 nan 8.210 nan 0.000 0.488 287 Y N 5.082 125.476 120.300 0.157 0.000 2.367 287 Y HA 0.566 5.115 4.550 -0.000 0.000 0.342 287 Y C 0.428 176.589 175.900 0.434 0.000 0.979 287 Y CA -0.645 57.627 58.100 0.286 0.000 1.161 287 Y CB 1.406 39.947 38.460 0.135 0.000 1.155 287 Y HN 0.588 nan 8.280 nan 0.000 0.503 288 A N 4.187 127.342 122.820 0.558 0.000 2.304 288 A HA 0.405 4.725 4.320 -0.000 0.000 0.314 288 A C -0.505 177.052 177.584 -0.044 0.000 1.187 288 A CA -0.860 51.362 52.037 0.308 0.000 0.810 288 A CB 0.875 20.038 19.000 0.271 0.000 1.183 288 A HN 0.791 nan 8.150 nan 0.000 0.487 289 Q N 1.612 121.091 119.800 -0.535 0.000 2.395 289 Q HA 0.043 4.383 4.340 -0.000 0.000 0.271 289 Q C 1.342 177.135 176.000 -0.346 0.000 1.026 289 Q CA 0.412 55.599 55.803 -1.028 0.000 0.900 289 Q CB 0.714 28.920 28.738 -0.887 0.000 1.266 289 Q HN 0.786 nan 8.270 nan 0.000 0.430 290 K N 2.411 122.623 120.400 -0.313 0.000 2.209 290 K HA -0.118 4.202 4.320 -0.000 0.000 0.204 290 K C 1.405 177.989 176.600 -0.026 0.000 1.048 290 K CA 1.407 57.627 56.287 -0.113 0.000 0.940 290 K CB -0.266 32.172 32.500 -0.104 0.000 0.729 290 K HN 0.735 nan 8.250 nan 0.000 0.451 291 G N 2.373 111.144 108.800 -0.050 0.000 2.422 291 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.218 291 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.218 291 G C 1.443 176.354 174.900 0.017 0.000 1.146 291 G CA 1.046 46.142 45.100 -0.006 0.000 0.769 291 G HN 0.490 nan 8.290 nan 0.000 0.547 292 I N -2.470 118.109 120.570 0.015 0.000 3.976 292 I HA 0.377 4.547 4.170 -0.000 0.000 0.337 292 I C 1.754 177.893 176.117 0.036 0.000 1.359 292 I CA -1.790 59.524 61.300 0.024 0.000 1.098 292 I CB -0.669 37.343 38.000 0.019 0.000 1.027 292 I HN 0.136 nan 8.210 nan 0.000 0.394 293 Y N 2.439 122.709 120.300 -0.049 0.000 2.097 293 Y HA -0.261 4.289 4.550 -0.000 0.000 0.282 293 Y C 1.719 177.606 175.900 -0.022 0.000 1.152 293 Y CA 2.240 60.319 58.100 -0.035 0.000 1.136 293 Y CB -0.384 38.059 38.460 -0.029 0.000 0.975 293 Y HN 0.242 nan 8.280 nan 0.000 0.498 294 D N -0.717 119.639 120.400 -0.074 0.000 2.144 294 D HA -0.148 4.492 4.640 -0.000 0.000 0.200 294 D C 2.069 178.279 176.300 -0.150 0.000 0.978 294 D CA 2.084 55.987 54.000 -0.162 0.000 0.833 294 D CB -0.233 40.571 40.800 0.008 0.000 0.961 294 D HN 0.393 nan 8.370 nan 0.000 0.470 295 T N 0.954 115.456 114.554 -0.087 0.000 2.684 295 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 295 T C 1.884 176.518 174.700 -0.110 0.000 1.036 295 T CA 0.643 62.697 62.100 -0.077 0.000 1.148 295 T CB -0.443 68.400 68.868 -0.041 0.000 0.863 295 T HN 0.049 nan 8.240 nan 0.000 0.436 296 L N 1.440 122.585 121.223 -0.131 0.000 2.012 296 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 296 L C 2.486 179.239 176.870 -0.196 0.000 1.073 296 L CA 1.560 56.308 54.840 -0.153 0.000 0.748 296 L CB -0.775 41.198 42.059 -0.144 0.000 0.891 296 L HN 0.090 nan 8.230 nan 0.000 0.431 297 V N -0.287 119.449 119.914 -0.295 0.000 2.287 297 V HA -0.349 3.770 4.120 -0.000 0.000 0.248 297 V C 2.525 178.516 176.094 -0.172 0.000 1.053 297 V CA 2.084 64.216 62.300 -0.281 0.000 1.027 297 V CB -0.706 30.862 31.823 -0.424 0.000 0.646 297 V HN 0.576 nan 8.190 nan 0.000 0.447 298 E N 0.210 120.320 120.200 -0.151 0.000 2.035 298 E HA -0.308 4.042 4.350 -0.000 0.000 0.204 298 E C 2.285 178.829 176.600 -0.093 0.000 1.025 298 E CA 2.159 58.498 56.400 -0.102 0.000 0.835 298 E CB -0.125 29.525 29.700 -0.084 0.000 0.764 298 E HN 0.576 nan 8.360 nan 0.000 0.457 299 K N -0.162 120.181 120.400 -0.095 0.000 2.097 299 K HA -0.137 4.183 4.320 -0.000 0.000 0.205 299 K C 2.189 178.730 176.600 -0.097 0.000 1.050 299 K CA 0.770 57.005 56.287 -0.087 0.000 0.938 299 K CB -0.147 32.306 32.500 -0.079 0.000 0.718 299 K HN 0.118 nan 8.250 nan 0.000 0.442 300 L N 1.114 122.271 121.223 -0.110 0.000 2.027 300 L HA -0.042 4.298 4.340 -0.000 0.000 0.206 300 L C 2.174 178.986 176.870 -0.097 0.000 1.074 300 L CA 1.913 56.689 54.840 -0.107 0.000 0.745 300 L CB -1.088 40.906 42.059 -0.108 0.000 0.898 300 L HN 0.198 nan 8.230 nan 0.000 0.433 301 G N -0.950 107.794 108.800 -0.092 0.000 2.476 301 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.218 301 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.218 301 G C 1.593 176.439 174.900 -0.091 0.000 1.164 301 G CA 0.996 46.046 45.100 -0.083 0.000 0.768 301 G HN 0.638 nan 8.290 nan 0.000 0.560 302 A N 0.874 123.643 122.820 -0.086 0.000 1.930 302 A HA 0.345 4.665 4.320 -0.000 0.000 0.217 302 A C 2.785 180.312 177.584 -0.096 0.000 1.175 302 A CA 2.171 54.158 52.037 -0.082 0.000 0.627 302 A CB -0.641 18.317 19.000 -0.070 0.000 0.815 302 A HN 0.767 nan 8.150 nan 0.000 0.443 303 A N -0.550 122.206 122.820 -0.106 0.000 1.872 303 A HA 0.059 4.378 4.320 -0.000 0.000 0.214 303 A C 2.185 179.672 177.584 -0.163 0.000 1.187 303 A CA 1.570 53.535 52.037 -0.120 0.000 0.614 303 A CB -0.943 17.986 19.000 -0.118 0.000 0.826 303 A HN 0.368 nan 8.150 nan 0.000 0.442 304 V N 0.224 120.018 119.914 -0.201 0.000 2.392 304 V HA -0.290 3.829 4.120 -0.000 0.000 0.249 304 V C 3.011 178.947 176.094 -0.264 0.000 1.059 304 V CA 1.905 64.008 62.300 -0.330 0.000 1.051 304 V CB -1.279 30.338 31.823 -0.344 0.000 0.658 304 V HN 0.605 nan 8.190 nan 0.000 0.455 305 A N 0.632 123.349 122.820 -0.172 0.000 2.076 305 A HA -0.224 4.095 4.320 -0.000 0.000 0.220 305 A C 2.339 179.851 177.584 -0.121 0.000 1.160 305 A CA 2.294 54.251 52.037 -0.132 0.000 0.653 305 A CB -0.790 18.151 19.000 -0.098 0.000 0.801 305 A HN 0.677 nan 8.150 nan 0.000 0.455 306 T N -2.557 111.923 114.554 -0.123 0.000 3.100 306 T HA 0.344 4.694 4.350 -0.000 0.000 0.253 306 T C 0.538 175.179 174.700 -0.098 0.000 1.118 306 T CA -0.250 61.791 62.100 -0.098 0.000 1.058 306 T CB -0.523 68.294 68.868 -0.085 0.000 0.953 306 T HN 0.230 nan 8.240 nan 0.000 0.515 307 L N 2.016 123.160 121.223 -0.132 0.000 2.499 307 L HA 0.208 4.548 4.340 -0.000 0.000 0.273 307 L C 0.686 177.515 176.870 -0.070 0.000 1.195 307 L CA 0.020 54.791 54.840 -0.115 0.000 0.882 307 L CB 0.469 42.417 42.059 -0.186 0.000 1.133 307 L HN 0.130 nan 8.230 nan 0.000 0.483 308 K N 2.684 123.064 120.400 -0.033 0.000 2.253 308 K HA 0.292 4.612 4.320 -0.000 0.000 0.277 308 K C -0.616 175.987 176.600 0.005 0.000 1.053 308 K CA -0.306 55.968 56.287 -0.021 0.000 0.892 308 K CB 1.101 33.594 32.500 -0.011 0.000 1.102 308 K HN 0.555 nan 8.250 nan 0.000 0.469 309 S N 0.964 116.654 115.700 -0.015 0.000 2.617 309 S HA 0.790 5.260 4.470 -0.000 0.000 0.283 309 S C -0.019 174.526 174.600 -0.091 0.000 1.189 309 S CA -0.568 57.629 58.200 -0.006 0.000 1.036 309 S CB 1.751 64.929 63.200 -0.037 0.000 1.014 309 S HN 0.874 nan 8.310 nan 0.000 0.522 310 G N 0.045 108.790 108.800 -0.091 0.000 2.320 310 G HA2 0.525 4.484 3.960 -0.000 0.000 0.296 310 G HA3 0.525 4.484 3.960 -0.000 0.000 0.296 310 G C -1.223 173.676 174.900 -0.001 0.000 1.306 310 G CA -0.362 44.686 45.100 -0.086 0.000 0.836 310 G HN 0.911 nan 8.290 nan 0.000 0.517 311 A N 0.641 123.463 122.820 0.003 0.000 2.561 311 A HA 0.506 4.826 4.320 -0.000 0.000 0.251 311 A C -0.643 176.986 177.584 0.076 0.000 1.062 311 A CA 0.313 52.379 52.037 0.048 0.000 0.761 311 A CB -0.080 18.933 19.000 0.020 0.000 0.986 311 A HN 0.359 nan 8.150 nan 0.000 0.510 312 P HA -0.216 nan 4.420 nan 0.000 0.218 312 P C 0.690 178.025 177.300 0.057 0.000 1.152 312 P CA 1.922 65.060 63.100 0.063 0.000 0.857 312 P CB 0.041 31.767 31.700 0.044 0.000 0.787 313 D N -2.179 118.252 120.400 0.052 0.000 2.319 313 D HA -0.038 4.602 4.640 -0.000 0.000 0.230 313 D C -0.033 176.304 176.300 0.061 0.000 1.094 313 D CA 0.058 54.088 54.000 0.050 0.000 0.856 313 D CB -0.839 39.979 40.800 0.030 0.000 0.915 313 D HN 0.088 nan 8.370 nan 0.000 0.517 314 D N 0.574 121.019 120.400 0.076 0.000 2.256 314 D HA 0.094 4.734 4.640 -0.000 0.000 0.240 314 D C 0.590 176.964 176.300 0.123 0.000 1.062 314 D CA -0.439 53.603 54.000 0.070 0.000 0.832 314 D CB 1.747 42.573 40.800 0.043 0.000 1.135 314 D HN -0.103 nan 8.370 nan 0.000 0.484 315 E N 1.181 121.434 120.200 0.088 0.000 2.265 315 E HA -0.166 4.184 4.350 -0.000 0.000 0.196 315 E C 1.706 178.293 176.600 -0.022 0.000 0.996 315 E CA 1.194 57.628 56.400 0.055 0.000 0.832 315 E CB 0.246 29.927 29.700 -0.032 0.000 0.756 315 E HN 0.503 nan 8.360 nan 0.000 0.491 316 S N -1.093 114.617 115.700 0.017 0.000 2.522 316 S HA -0.004 4.466 4.470 -0.000 0.000 0.227 316 S C 0.926 175.572 174.600 0.076 0.000 0.986 316 S CA 0.095 58.302 58.200 0.011 0.000 0.929 316 S CB -0.031 63.167 63.200 -0.003 0.000 0.769 316 S HN -0.046 nan 8.310 nan 0.000 0.529 317 T N 2.514 117.151 114.554 0.137 0.000 2.888 317 T HA 0.205 4.554 4.350 -0.000 0.000 0.301 317 T C 0.648 175.471 174.700 0.204 0.000 1.001 317 T CA 0.128 62.312 62.100 0.139 0.000 1.147 317 T CB 1.184 70.122 68.868 0.117 0.000 0.931 317 T HN 0.445 nan 8.240 nan 0.000 0.541 318 E N 1.325 121.598 120.200 0.123 0.000 2.306 318 E HA 0.200 4.550 4.350 -0.000 0.000 0.201 318 E C -0.132 176.503 176.600 0.058 0.000 0.874 318 E CA -0.148 56.319 56.400 0.113 0.000 0.972 318 E CB 0.425 30.169 29.700 0.073 0.000 0.957 318 E HN 0.238 nan 8.360 nan 0.000 0.492 319 L N 0.964 122.225 121.223 0.064 0.000 2.325 319 L HA 0.535 4.875 4.340 -0.000 0.000 0.281 319 L C -0.013 176.937 176.870 0.133 0.000 1.004 319 L CA -0.384 54.500 54.840 0.074 0.000 0.823 319 L CB 1.301 43.413 42.059 0.089 0.000 1.236 319 L HN 0.001 nan 8.230 nan 0.000 0.415 320 G N 4.756 113.590 108.800 0.057 0.000 2.568 320 G HA2 0.651 4.610 3.960 -0.000 0.000 0.293 320 G HA3 0.651 4.610 3.960 -0.000 0.000 0.293 320 G C -2.784 172.005 174.900 -0.185 0.000 1.347 320 G CA -1.062 44.049 45.100 0.018 0.000 1.039 320 G HN 0.528 nan 8.290 nan 0.000 0.523 321 P HA 0.329 nan 4.420 nan 0.000 0.279 321 P C -0.022 177.145 177.300 -0.222 0.000 1.276 321 P CA -0.570 62.109 63.100 -0.703 0.000 0.801 321 P CB 1.283 32.340 31.700 -1.071 0.000 1.127 322 L N 0.238 121.411 121.223 -0.083 0.000 2.476 322 L HA 0.061 4.401 4.340 -0.000 0.000 0.255 322 L C 2.231 179.109 176.870 0.013 0.000 1.218 322 L CA 0.034 54.893 54.840 0.031 0.000 0.819 322 L CB -0.054 42.046 42.059 0.068 0.000 1.119 322 L HN 0.467 nan 8.230 nan 0.000 0.485 323 S N -1.187 114.461 115.700 -0.086 0.000 2.414 323 S HA -0.010 4.460 4.470 -0.000 0.000 0.227 323 S C 0.622 175.072 174.600 -0.250 0.000 1.022 323 S CA 0.366 58.406 58.200 -0.268 0.000 0.958 323 S CB -0.110 62.607 63.200 -0.805 0.000 0.797 323 S HN 0.758 nan 8.310 nan 0.000 0.493 324 S N -0.741 114.737 115.700 -0.369 0.000 2.625 324 S HA 0.590 5.060 4.470 -0.000 0.000 0.271 324 S C 0.165 174.193 174.600 -0.954 0.000 1.161 324 S CA -0.769 57.057 58.200 -0.624 0.000 0.820 324 S CB 0.832 63.727 63.200 -0.508 0.000 1.137 324 S HN 0.024 nan 8.310 nan 0.000 0.470 325 L N 1.572 122.011 121.223 -1.306 0.000 2.012 325 L HA 0.131 4.471 4.340 -0.000 0.000 0.210 325 L C 2.819 179.428 176.870 -0.436 0.000 1.073 325 L CA 2.820 57.111 54.840 -0.914 0.000 0.748 325 L CB -1.683 39.963 42.059 -0.689 0.000 0.891 325 L HN 1.018 nan 8.230 nan 0.000 0.431 326 A N -2.065 120.552 122.820 -0.338 0.000 1.969 326 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 326 A C 2.248 179.756 177.584 -0.128 0.000 1.169 326 A CA 1.692 53.616 52.037 -0.189 0.000 0.635 326 A CB -0.835 18.080 19.000 -0.142 0.000 0.810 326 A HN 0.664 nan 8.150 nan 0.000 0.445 327 H N -0.884 118.030 119.070 -0.261 0.000 2.436 327 H HA 0.038 4.594 4.556 -0.000 0.000 0.294 327 H C 1.699 176.946 175.328 -0.135 0.000 1.048 327 H CA 1.301 57.243 56.048 -0.176 0.000 1.353 327 H CB -0.172 29.445 29.762 -0.243 0.000 1.414 327 H HN 0.303 nan 8.280 nan 0.000 0.536 328 L N 0.784 121.857 121.223 -0.250 0.000 2.042 328 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 328 L C 1.951 178.716 176.870 -0.176 0.000 1.076 328 L CA 1.895 56.619 54.840 -0.194 0.000 0.749 328 L CB -0.480 41.532 42.059 -0.078 0.000 0.893 328 L HN 0.331 nan 8.230 nan 0.000 0.432 329 E N -0.535 119.575 120.200 -0.150 0.000 2.047 329 E HA -0.253 4.097 4.350 -0.000 0.000 0.191 329 E C 2.335 178.866 176.600 -0.114 0.000 0.987 329 E CA 1.125 57.464 56.400 -0.101 0.000 0.799 329 E CB -0.268 29.383 29.700 -0.082 0.000 0.752 329 E HN 0.490 nan 8.360 nan 0.000 0.449 330 R N 0.651 121.075 120.500 -0.128 0.000 2.136 330 R HA -0.204 4.136 4.340 -0.000 0.000 0.242 330 R C 2.488 178.680 176.300 -0.180 0.000 1.131 330 R CA 1.952 57.984 56.100 -0.114 0.000 0.937 330 R CB -0.480 29.784 30.300 -0.060 0.000 0.863 330 R HN 0.026 nan 8.270 nan 0.000 0.435 331 V N -0.241 119.470 119.914 -0.338 0.000 2.255 331 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 331 V C 2.383 178.230 176.094 -0.411 0.000 1.051 331 V CA 2.178 64.228 62.300 -0.416 0.000 1.018 331 V CB -1.144 30.317 31.823 -0.603 0.000 0.641 331 V HN 0.696 nan 8.190 nan 0.000 0.445 332 G N -0.181 108.410 108.800 -0.347 0.000 2.529 332 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.219 332 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.219 332 G C 1.665 176.537 174.900 -0.047 0.000 1.177 332 G CA 1.008 46.049 45.100 -0.099 0.000 0.773 332 G HN 0.375 nan 8.290 nan 0.000 0.573 333 K N 0.779 121.142 120.400 -0.062 0.000 2.032 333 K HA -0.063 4.257 4.320 -0.000 0.000 0.209 333 K C 2.982 179.560 176.600 -0.036 0.000 1.048 333 K CA 1.254 57.520 56.287 -0.036 0.000 0.927 333 K CB -0.734 31.745 32.500 -0.035 0.000 0.712 333 K HN 0.284 nan 8.250 nan 0.000 0.441 334 A N 1.069 123.854 122.820 -0.060 0.000 1.917 334 A HA -0.155 4.164 4.320 -0.000 0.000 0.219 334 A C 2.523 180.083 177.584 -0.040 0.000 1.182 334 A CA 1.912 53.920 52.037 -0.048 0.000 0.633 334 A CB -0.722 18.240 19.000 -0.063 0.000 0.819 334 A HN 0.091 nan 8.150 nan 0.000 0.448 335 V N 0.070 119.956 119.914 -0.048 0.000 2.307 335 V HA -0.191 3.929 4.120 -0.000 0.000 0.245 335 V C 2.567 178.671 176.094 0.018 0.000 1.045 335 V CA 2.045 64.347 62.300 0.004 0.000 1.024 335 V CB -0.737 31.137 31.823 0.084 0.000 0.651 335 V HN 0.498 nan 8.190 nan 0.000 0.449 336 E N 0.032 120.245 120.200 0.022 0.000 2.118 336 E HA -0.262 4.087 4.350 -0.000 0.000 0.195 336 E C 2.181 178.776 176.600 -0.008 0.000 0.992 336 E CA 1.342 57.750 56.400 0.013 0.000 0.804 336 E CB -0.215 29.494 29.700 0.015 0.000 0.741 336 E HN 0.683 nan 8.360 nan 0.000 0.458 337 E N 0.033 120.224 120.200 -0.015 0.000 2.150 337 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 337 E C 1.913 178.489 176.600 -0.039 0.000 0.985 337 E CA 0.861 57.248 56.400 -0.022 0.000 0.814 337 E CB 0.025 29.714 29.700 -0.017 0.000 0.752 337 E HN 0.223 nan 8.360 nan 0.000 0.466 338 A N 1.233 124.028 122.820 -0.041 0.000 1.898 338 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 338 A C 1.913 179.442 177.584 -0.091 0.000 1.181 338 A CA 1.252 53.249 52.037 -0.067 0.000 0.620 338 A CB -0.231 18.742 19.000 -0.044 0.000 0.819 338 A HN 0.051 nan 8.150 nan 0.000 0.442 339 K N -0.260 120.109 120.400 -0.053 0.000 2.032 339 K HA -0.142 4.177 4.320 -0.000 0.000 0.209 339 K C 2.102 178.663 176.600 -0.066 0.000 1.048 339 K CA 1.350 57.607 56.287 -0.050 0.000 0.927 339 K CB -0.363 32.126 32.500 -0.019 0.000 0.712 339 K HN 0.434 nan 8.250 nan 0.000 0.441 340 A N 0.815 123.603 122.820 -0.054 0.000 2.209 340 A HA -0.088 4.232 4.320 -0.000 0.000 0.212 340 A C 2.051 179.597 177.584 -0.064 0.000 1.158 340 A CA 1.337 53.347 52.037 -0.044 0.000 0.742 340 A CB -0.602 18.382 19.000 -0.026 0.000 0.790 340 A HN 0.230 nan 8.150 nan 0.000 0.472 341 T N -1.051 113.430 114.554 -0.120 0.000 2.759 341 T HA 0.091 4.441 4.350 -0.000 0.000 0.269 341 T C 1.678 176.295 174.700 -0.139 0.000 1.042 341 T CA 2.318 64.307 62.100 -0.184 0.000 1.140 341 T CB -0.318 68.321 68.868 -0.381 0.000 0.864 341 T HN 1.427 nan 8.240 nan 0.000 0.455 342 G N 0.401 109.125 108.800 -0.127 0.000 2.241 342 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.244 342 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.244 342 G C 0.673 175.579 174.900 0.010 0.000 0.998 342 G CA 0.606 45.687 45.100 -0.032 0.000 0.621 342 G HN 0.749 nan 8.290 nan 0.000 0.519 343 H N -0.703 118.371 119.070 0.007 0.000 2.893 343 H HA 0.532 5.088 4.556 -0.000 0.000 0.270 343 H C 0.542 175.880 175.328 0.016 0.000 1.095 343 H CA -0.342 55.712 56.048 0.010 0.000 1.186 343 H CB 0.450 30.214 29.762 0.004 0.000 1.562 343 H HN 0.356 nan 8.280 nan 0.000 0.536 344 I N 2.427 122.911 120.570 -0.145 0.000 2.312 344 I HA 0.181 4.351 4.170 -0.000 0.000 0.290 344 I C -0.088 176.021 176.117 -0.012 0.000 1.008 344 I CA -0.497 60.768 61.300 -0.058 0.000 1.226 344 I CB 1.825 39.753 38.000 -0.119 0.000 1.371 344 I HN -0.041 nan 8.210 nan 0.000 0.468 345 K N 5.042 125.458 120.400 0.027 0.000 2.201 345 K HA 0.436 4.755 4.320 -0.000 0.000 0.278 345 K C -0.832 175.778 176.600 0.016 0.000 1.027 345 K CA -0.561 55.739 56.287 0.022 0.000 0.909 345 K CB 1.489 34.010 32.500 0.034 0.000 1.062 345 K HN 0.312 nan 8.250 nan 0.000 0.465 346 V N 6.567 126.486 119.914 0.009 0.000 2.389 346 V HA 0.009 4.129 4.120 -0.000 0.000 0.264 346 V C 1.270 177.365 176.094 0.001 0.000 1.049 346 V CA -0.191 62.116 62.300 0.010 0.000 0.932 346 V CB 0.794 32.624 31.823 0.010 0.000 1.011 346 V HN 0.775 nan 8.190 nan 0.000 0.475 347 I N 3.218 123.787 120.570 -0.001 0.000 2.584 347 I HA 0.067 4.237 4.170 -0.000 0.000 0.255 347 I C 1.056 177.158 176.117 -0.025 0.000 1.145 347 I CA 1.221 62.510 61.300 -0.017 0.000 1.462 347 I CB -0.198 37.784 38.000 -0.030 0.000 1.102 347 I HN 0.703 nan 8.210 nan 0.000 0.433 348 T N -1.021 113.522 114.554 -0.018 0.000 2.977 348 T HA 0.498 4.848 4.350 -0.000 0.000 0.345 348 T C -0.122 174.568 174.700 -0.017 0.000 1.562 348 T CA 0.348 62.429 62.100 -0.032 0.000 1.090 348 T CB 1.158 69.992 68.868 -0.056 0.000 1.383 348 T HN 0.599 nan 8.240 nan 0.000 0.484 349 G N 2.357 111.134 108.800 -0.039 0.000 2.498 349 G HA2 0.299 4.258 3.960 -0.000 0.000 0.251 349 G HA3 0.299 4.258 3.960 -0.000 0.000 0.251 349 G C 1.025 175.894 174.900 -0.051 0.000 1.170 349 G CA 1.125 46.195 45.100 -0.049 0.000 0.944 349 G HN 2.478 nan 8.290 nan 0.000 0.567 350 G N -0.590 108.201 108.800 -0.016 0.000 2.160 350 G HA2 0.095 4.055 3.960 -0.000 0.000 0.244 350 G HA3 0.095 4.055 3.960 -0.000 0.000 0.244 350 G C -0.014 174.829 174.900 -0.094 0.000 1.022 350 G CA 1.853 46.983 45.100 0.050 0.000 0.741 350 G HN 1.337 nan 8.290 nan 0.000 0.508 351 E N -0.679 119.262 120.200 -0.431 0.000 2.390 351 E HA 0.438 4.787 4.350 -0.000 0.000 0.277 351 E C -0.109 176.023 176.600 -0.779 0.000 0.939 351 E CA -1.094 55.061 56.400 -0.409 0.000 0.769 351 E CB 1.438 31.005 29.700 -0.221 0.000 1.251 351 E HN 0.329 nan 8.360 nan 0.000 0.450 352 K N 1.959 122.115 120.400 -0.407 0.000 2.350 352 K HA 0.247 4.567 4.320 -0.000 0.000 0.279 352 K C 0.083 176.601 176.600 -0.136 0.000 1.027 352 K CA -0.347 55.815 56.287 -0.208 0.000 0.969 352 K CB 0.825 33.346 32.500 0.036 0.000 0.954 352 K HN 0.280 nan 8.250 nan 0.000 0.474 353 R N 2.138 122.598 120.500 -0.067 0.000 2.590 353 R HA 0.012 4.352 4.340 -0.000 0.000 0.274 353 R C -0.013 176.277 176.300 -0.017 0.000 1.061 353 R CA 0.134 56.208 56.100 -0.044 0.000 1.081 353 R CB 0.585 30.882 30.300 -0.006 0.000 0.984 353 R HN 0.491 nan 8.270 nan 0.000 0.448 354 K N 1.499 121.874 120.400 -0.042 0.000 2.219 354 K HA 0.302 4.622 4.320 -0.000 0.000 0.258 354 K C 0.257 176.838 176.600 -0.032 0.000 1.008 354 K CA 0.451 56.721 56.287 -0.030 0.000 0.928 354 K CB 0.896 33.372 32.500 -0.040 0.000 0.983 354 K HN 0.891 nan 8.250 nan 0.000 0.484 355 G N 1.140 109.930 108.800 -0.017 0.000 2.525 355 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.685 355 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.685 355 G C -0.998 173.907 174.900 0.009 0.000 1.290 355 G CA -0.977 44.112 45.100 -0.020 0.000 0.915 355 G HN 0.554 nan 8.290 nan 0.000 0.548 356 N N 0.401 119.100 118.700 -0.002 0.000 2.408 356 N HA 0.673 5.413 4.740 -0.000 0.000 0.260 356 N C 0.835 176.338 175.510 -0.012 0.000 1.242 356 N CA 1.347 54.391 53.050 -0.011 0.000 0.959 356 N CB 1.076 39.546 38.487 -0.028 0.000 1.201 356 N HN 2.266 nan 8.380 nan 0.000 0.511 357 G N -0.197 108.496 108.800 -0.179 0.000 2.661 357 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.685 357 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.685 357 G C -1.492 173.263 174.900 -0.240 0.000 1.298 357 G CA -0.685 44.202 45.100 -0.357 0.000 0.855 357 G HN 0.463 nan 8.290 nan 0.000 0.560 358 Y N -0.169 120.081 120.300 -0.084 0.000 2.602 358 Y HA 0.522 5.072 4.550 -0.000 0.000 0.373 358 Y C 0.424 176.258 175.900 -0.110 0.000 0.960 358 Y CA -1.473 56.576 58.100 -0.084 0.000 1.281 358 Y CB -0.198 38.186 38.460 -0.127 0.000 1.308 358 Y HN 0.482 nan 8.280 nan 0.000 0.595 359 Y N 0.165 120.528 120.300 0.105 0.000 2.319 359 Y HA 0.299 4.849 4.550 -0.000 0.000 0.328 359 Y C -0.305 175.670 175.900 0.125 0.000 1.133 359 Y CA -0.599 57.551 58.100 0.084 0.000 1.265 359 Y CB 0.671 39.140 38.460 0.015 0.000 1.218 359 Y HN 0.326 nan 8.280 nan 0.000 0.508 360 Y N 1.927 122.318 120.300 0.152 0.000 2.391 360 Y HA 0.660 5.210 4.550 -0.000 0.000 0.341 360 Y C -0.230 175.729 175.900 0.098 0.000 0.965 360 Y CA -1.481 56.675 58.100 0.093 0.000 1.067 360 Y CB 1.078 39.565 38.460 0.044 0.000 1.199 360 Y HN 0.748 nan 8.280 nan 0.000 0.450 361 A N 8.084 130.745 122.820 -0.265 0.000 2.540 361 A HA 0.264 4.583 4.320 -0.000 0.000 0.239 361 A C -2.478 175.138 177.584 0.053 0.000 1.061 361 A CA -1.090 50.865 52.037 -0.137 0.000 0.758 361 A CB -0.668 18.177 19.000 -0.259 0.000 0.991 361 A HN 0.514 nan 8.150 nan 0.000 0.502 362 P HA 0.143 nan 4.420 nan 0.000 0.267 362 P C -0.471 176.867 177.300 0.063 0.000 1.209 362 P CA 0.453 63.574 63.100 0.036 0.000 0.763 362 P CB 0.552 32.105 31.700 -0.245 0.000 0.816 363 T N 4.219 118.952 114.554 0.299 0.000 2.881 363 T HA 0.437 4.787 4.350 -0.000 0.000 0.290 363 T C -0.629 174.216 174.700 0.241 0.000 1.000 363 T CA -0.392 61.845 62.100 0.228 0.000 0.978 363 T CB 1.053 70.097 68.868 0.293 0.000 0.997 363 T HN 0.184 nan 8.240 nan 0.000 0.443 364 L N 4.282 125.578 121.223 0.122 0.000 2.333 364 L HA 0.676 5.016 4.340 -0.000 0.000 0.280 364 L C -1.470 175.429 176.870 0.048 0.000 1.004 364 L CA -0.641 54.253 54.840 0.090 0.000 0.820 364 L CB 1.013 43.096 42.059 0.040 0.000 1.247 364 L HN 0.598 nan 8.230 nan 0.000 0.416 365 L N 5.179 126.424 121.223 0.037 0.000 2.325 365 L HA 0.844 5.184 4.340 -0.000 0.000 0.281 365 L C -0.257 176.631 176.870 0.030 0.000 1.004 365 L CA -0.563 54.293 54.840 0.027 0.000 0.823 365 L CB 1.698 43.770 42.059 0.021 0.000 1.236 365 L HN 0.768 nan 8.230 nan 0.000 0.415 366 A N 1.546 124.393 122.820 0.045 0.000 2.330 366 A HA 0.784 5.104 4.320 -0.000 0.000 0.329 366 A C 0.783 178.454 177.584 0.146 0.000 1.135 366 A CA 0.155 52.251 52.037 0.098 0.000 0.817 366 A CB 1.450 20.489 19.000 0.065 0.000 1.269 366 A HN 1.029 nan 8.150 nan 0.000 0.469 367 G N -0.782 108.163 108.800 0.242 0.000 2.148 367 G HA2 0.169 4.128 3.960 -0.000 0.000 0.254 367 G HA3 0.169 4.128 3.960 -0.000 0.000 0.254 367 G C 0.643 175.652 174.900 0.182 0.000 0.981 367 G CA 0.452 45.669 45.100 0.196 0.000 0.670 367 G HN 2.219 nan 8.290 nan 0.000 0.528 368 A N -0.015 122.880 122.820 0.124 0.000 2.546 368 A HA 0.564 4.884 4.320 -0.000 0.000 0.243 368 A C 0.697 178.304 177.584 0.038 0.000 1.063 368 A CA 0.439 52.525 52.037 0.082 0.000 0.757 368 A CB 0.216 19.222 19.000 0.009 0.000 0.991 368 A HN 0.898 nan 8.150 nan 0.000 0.503 369 L N 1.976 123.228 121.223 0.049 0.000 2.334 369 L HA 0.229 4.569 4.340 -0.000 0.000 0.275 369 L C 1.589 178.353 176.870 -0.177 0.000 1.036 369 L CA -0.695 54.085 54.840 -0.101 0.000 0.807 369 L CB 1.447 43.419 42.059 -0.145 0.000 1.231 369 L HN 0.996 nan 8.230 nan 0.000 0.438 370 Q N 1.285 120.848 119.800 -0.395 0.000 2.165 370 Q HA -0.275 4.064 4.340 -0.000 0.000 0.215 370 Q C 0.962 176.832 176.000 -0.217 0.000 1.010 370 Q CA 2.338 57.862 55.803 -0.465 0.000 0.896 370 Q CB -0.069 28.021 28.738 -1.080 0.000 0.956 370 Q HN 0.609 nan 8.270 nan 0.000 0.413 371 D N 0.219 120.522 120.400 -0.161 0.000 2.339 371 D HA 0.035 4.675 4.640 -0.000 0.000 0.217 371 D C -0.582 175.708 176.300 -0.017 0.000 1.050 371 D CA 0.112 54.071 54.000 -0.068 0.000 0.856 371 D CB -0.089 40.680 40.800 -0.052 0.000 0.922 371 D HN 0.305 nan 8.370 nan 0.000 0.518 372 D N 0.192 120.587 120.400 -0.008 0.000 2.345 372 D HA 0.175 4.814 4.640 -0.000 0.000 0.247 372 D C 1.299 177.610 176.300 0.017 0.000 1.108 372 D CA -0.140 53.876 54.000 0.027 0.000 0.894 372 D CB 1.624 42.453 40.800 0.049 0.000 1.203 372 D HN -0.071 nan 8.370 nan 0.000 0.430 373 A N 2.832 125.664 122.820 0.020 0.000 1.948 373 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 373 A C 2.063 179.662 177.584 0.025 0.000 1.177 373 A CA 1.068 53.122 52.037 0.028 0.000 0.636 373 A CB -0.520 18.493 19.000 0.022 0.000 0.815 373 A HN 0.595 nan 8.150 nan 0.000 0.449 374 I N -0.554 120.019 120.570 0.005 0.000 2.530 374 I HA -0.173 3.997 4.170 -0.000 0.000 0.257 374 I C 2.003 178.115 176.117 -0.009 0.000 1.179 374 I CA 1.209 62.505 61.300 -0.005 0.000 1.440 374 I CB 0.100 38.088 38.000 -0.020 0.000 1.087 374 I HN 0.126 nan 8.210 nan 0.000 0.440 375 V N -0.542 119.369 119.914 -0.006 0.000 2.825 375 V HA -0.055 4.064 4.120 -0.000 0.000 0.246 375 V C 2.131 178.260 176.094 0.058 0.000 1.068 375 V CA 0.930 63.221 62.300 -0.015 0.000 1.088 375 V CB -0.326 31.464 31.823 -0.055 0.000 0.733 375 V HN 0.360 nan 8.190 nan 0.000 0.468 376 Q N 0.373 120.226 119.800 0.089 0.000 2.339 376 Q HA 0.147 4.487 4.340 -0.000 0.000 0.205 376 Q C 0.500 176.674 176.000 0.291 0.000 0.925 376 Q CA 0.595 56.501 55.803 0.172 0.000 0.898 376 Q CB 0.318 29.128 28.738 0.120 0.000 1.013 376 Q HN 0.539 nan 8.270 nan 0.000 0.504 377 K N 1.512 122.031 120.400 0.198 0.000 2.323 377 K HA 0.254 4.574 4.320 -0.000 0.000 0.259 377 K C -0.472 176.190 176.600 0.104 0.000 0.947 377 K CA -0.389 56.037 56.287 0.231 0.000 0.819 377 K CB 2.023 34.614 32.500 0.151 0.000 1.109 377 K HN -0.029 nan 8.250 nan 0.000 0.429 378 E N 2.666 122.890 120.200 0.042 0.000 2.417 378 E HA -0.035 4.315 4.350 -0.000 0.000 0.261 378 E C 0.246 176.904 176.600 0.097 0.000 1.000 378 E CA -0.161 56.224 56.400 -0.025 0.000 0.919 378 E CB 0.679 30.311 29.700 -0.113 0.000 0.955 378 E HN 0.361 nan 8.360 nan 0.000 0.455 379 V N 5.428 125.404 119.914 0.102 0.000 2.599 379 V HA -0.074 4.045 4.120 -0.000 0.000 0.245 379 V C 0.915 177.173 176.094 0.273 0.000 1.046 379 V CA 0.535 62.901 62.300 0.110 0.000 1.065 379 V CB -0.730 31.100 31.823 0.012 0.000 0.703 379 V HN 0.974 nan 8.190 nan 0.000 0.464 380 F N 0.902 120.894 119.950 0.070 0.000 3.091 380 F HA -0.138 4.389 4.527 -0.000 0.000 0.288 380 F C 0.651 176.605 175.800 0.257 0.000 0.907 380 F CA 0.708 58.812 58.000 0.173 0.000 1.028 380 F CB -1.041 38.097 39.000 0.230 0.000 1.022 380 F HN 0.267 nan 8.300 nan 0.000 0.665 381 G N -0.401 108.460 108.800 0.102 0.000 2.798 381 G HA2 0.667 4.627 3.960 -0.000 0.000 0.286 381 G HA3 0.667 4.627 3.960 -0.000 0.000 0.286 381 G C -3.008 171.870 174.900 -0.038 0.000 1.389 381 G CA -0.932 44.168 45.100 0.001 0.000 0.894 381 G HN -0.130 nan 8.290 nan 0.000 0.488 382 P HA 0.327 nan 4.420 nan 0.000 0.230 382 P C -0.792 176.620 177.300 0.188 0.000 1.791 382 P CA -0.059 63.134 63.100 0.155 0.000 1.020 382 P CB 0.315 32.229 31.700 0.356 0.000 1.977 383 V N 2.392 122.267 119.914 -0.065 0.000 2.711 383 V HA 0.345 4.465 4.120 -0.000 0.000 0.304 383 V C -0.186 175.815 176.094 -0.154 0.000 1.097 383 V CA -0.743 61.552 62.300 -0.008 0.000 0.906 383 V CB 2.854 34.661 31.823 -0.026 0.000 1.015 383 V HN -0.026 nan 8.190 nan 0.000 0.427 384 V N 3.336 123.199 119.914 -0.085 0.000 2.709 384 V HA 0.721 4.841 4.120 -0.000 0.000 0.308 384 V C 0.020 176.092 176.094 -0.037 0.000 1.062 384 V CA -0.460 61.773 62.300 -0.110 0.000 0.901 384 V CB 2.504 34.243 31.823 -0.140 0.000 1.003 384 V HN 1.014 nan 8.190 nan 0.000 0.425 385 S N 3.383 119.048 115.700 -0.058 0.000 2.593 385 S HA 0.885 5.355 4.470 -0.000 0.000 0.297 385 S C -0.848 173.722 174.600 -0.049 0.000 1.112 385 S CA -0.727 57.449 58.200 -0.040 0.000 1.043 385 S CB 1.996 65.166 63.200 -0.050 0.000 1.054 385 S HN 0.511 nan 8.310 nan 0.000 0.516 386 V N 1.576 121.495 119.914 0.008 0.000 2.531 386 V HA 0.612 4.732 4.120 -0.000 0.000 0.301 386 V C -0.377 175.833 176.094 0.194 0.000 1.034 386 V CA -0.522 61.824 62.300 0.077 0.000 0.865 386 V CB 1.666 33.532 31.823 0.072 0.000 0.995 386 V HN 1.054 nan 8.190 nan 0.000 0.424 387 T N 6.775 121.416 114.554 0.146 0.000 2.824 387 T HA 0.541 4.891 4.350 -0.000 0.000 0.282 387 T C -2.830 171.984 174.700 0.191 0.000 0.993 387 T CA -1.292 60.870 62.100 0.102 0.000 0.967 387 T CB 2.325 71.173 68.868 -0.032 0.000 0.960 387 T HN 0.471 nan 8.240 nan 0.000 0.441 388 P HA 0.494 nan 4.420 nan 0.000 0.278 388 P C -1.093 176.390 177.300 0.305 0.000 1.238 388 P CA -0.580 62.437 63.100 -0.139 0.000 0.794 388 P CB 0.435 31.730 31.700 -0.674 0.000 0.955 389 F N -0.282 119.759 119.950 0.150 0.000 2.599 389 F HA 0.555 5.082 4.527 -0.000 0.000 0.311 389 F C 0.595 176.403 175.800 0.014 0.000 1.076 389 F CA -1.002 57.081 58.000 0.139 0.000 0.937 389 F CB 0.893 39.968 39.000 0.125 0.000 1.282 389 F HN 0.168 nan 8.300 nan 0.000 0.460 390 D N 0.738 121.214 120.400 0.126 0.000 2.165 390 D HA 0.039 4.678 4.640 -0.000 0.000 0.213 390 D C -0.257 176.104 176.300 0.103 0.000 0.983 390 D CA 1.576 55.594 54.000 0.029 0.000 0.881 390 D CB 0.152 40.967 40.800 0.025 0.000 1.028 390 D HN 0.708 nan 8.370 nan 0.000 0.457 391 N N -0.835 118.014 118.700 0.248 0.000 2.455 391 N HA 0.065 4.805 4.740 -0.000 0.000 0.278 391 N C 0.467 176.166 175.510 0.315 0.000 1.291 391 N CA -0.530 52.681 53.050 0.267 0.000 0.780 391 N CB 1.770 40.318 38.487 0.102 0.000 1.520 391 N HN 0.024 nan 8.380 nan 0.000 0.486 392 E N 0.431 120.846 120.200 0.359 0.000 2.058 392 E HA -0.302 4.047 4.350 -0.000 0.000 0.194 392 E C 1.388 178.016 176.600 0.048 0.000 0.997 392 E CA 1.903 58.503 56.400 0.334 0.000 0.801 392 E CB 0.069 29.917 29.700 0.246 0.000 0.746 392 E HN 0.722 nan 8.360 nan 0.000 0.450 393 E N 0.637 120.835 120.200 -0.003 0.000 2.047 393 E HA -0.266 4.084 4.350 -0.000 0.000 0.191 393 E C 2.170 178.654 176.600 -0.193 0.000 0.987 393 E CA 1.654 58.010 56.400 -0.073 0.000 0.799 393 E CB -0.246 29.423 29.700 -0.051 0.000 0.752 393 E HN 0.316 nan 8.360 nan 0.000 0.449 394 Q N 0.168 119.802 119.800 -0.277 0.000 2.014 394 Q HA -0.210 4.129 4.340 -0.000 0.000 0.207 394 Q C 2.315 177.806 176.000 -0.849 0.000 0.993 394 Q CA 2.306 57.760 55.803 -0.583 0.000 0.850 394 Q CB -0.446 27.932 28.738 -0.600 0.000 0.916 394 Q HN 0.361 nan 8.270 nan 0.000 0.417 395 V N 0.043 119.503 119.914 -0.756 0.000 2.407 395 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 395 V C 2.287 178.044 176.094 -0.563 0.000 1.055 395 V CA 1.683 63.454 62.300 -0.882 0.000 1.049 395 V CB -0.161 30.710 31.823 -1.588 0.000 0.662 395 V HN 0.371 nan 8.190 nan 0.000 0.455 396 V N 0.766 120.472 119.914 -0.347 0.000 2.295 396 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 396 V C 2.392 178.420 176.094 -0.110 0.000 1.049 396 V CA 2.462 64.661 62.300 -0.167 0.000 1.024 396 V CB -1.020 30.759 31.823 -0.072 0.000 0.648 396 V HN 0.582 nan 8.190 nan 0.000 0.447 397 N N -0.888 117.729 118.700 -0.139 0.000 2.104 397 N HA -0.187 4.553 4.740 -0.000 0.000 0.190 397 N C 1.492 177.038 175.510 0.060 0.000 1.024 397 N CA 1.469 54.483 53.050 -0.059 0.000 0.853 397 N CB -0.360 38.068 38.487 -0.097 0.000 1.008 397 N HN 0.530 nan 8.380 nan 0.000 0.424 398 W N 1.370 122.574 121.300 -0.161 0.000 2.381 398 W HA 0.142 4.802 4.660 -0.000 0.000 0.301 398 W C 2.468 178.911 176.519 -0.127 0.000 1.205 398 W CA 0.736 57.989 57.345 -0.154 0.000 1.285 398 W CB -1.246 28.048 29.460 -0.277 0.000 1.133 398 W HN 0.051 nan 8.180 nan 0.000 0.521 399 A N 0.445 123.255 122.820 -0.016 0.000 1.933 399 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 399 A C 1.841 179.599 177.584 0.289 0.000 1.175 399 A CA 1.944 54.035 52.037 0.090 0.000 0.628 399 A CB -0.798 18.180 19.000 -0.036 0.000 0.814 399 A HN 0.227 nan 8.150 nan 0.000 0.444 400 N N 0.037 118.853 118.700 0.193 0.000 2.463 400 N HA -0.028 4.712 4.740 -0.000 0.000 0.181 400 N C -0.116 175.458 175.510 0.107 0.000 1.078 400 N CA 0.582 53.726 53.050 0.157 0.000 0.902 400 N CB -0.148 38.388 38.487 0.081 0.000 0.970 400 N HN 0.404 nan 8.380 nan 0.000 0.451 401 D N 0.422 120.906 120.400 0.140 0.000 2.619 401 D HA 0.147 4.786 4.640 -0.000 0.000 0.224 401 D C -0.912 175.467 176.300 0.131 0.000 1.133 401 D CA 0.072 54.143 54.000 0.119 0.000 1.017 401 D CB -0.221 40.667 40.800 0.146 0.000 1.077 401 D HN -0.135 nan 8.370 nan 0.000 0.503 402 S N 1.092 116.856 115.700 0.106 0.000 2.556 402 S HA 0.184 4.654 4.470 -0.000 0.000 0.271 402 S C 0.515 175.117 174.600 0.004 0.000 1.135 402 S CA -0.688 57.589 58.200 0.130 0.000 0.858 402 S CB 1.415 64.786 63.200 0.286 0.000 1.114 402 S HN 0.380 nan 8.310 nan 0.000 0.468 403 Q N 1.332 121.078 119.800 -0.090 0.000 2.425 403 Q HA 0.126 4.465 4.340 -0.000 0.000 0.204 403 Q C -0.651 175.161 176.000 -0.314 0.000 0.933 403 Q CA 0.453 56.114 55.803 -0.236 0.000 0.939 403 Q CB -0.191 28.363 28.738 -0.305 0.000 1.044 403 Q HN 0.642 nan 8.270 nan 0.000 0.513 404 Y N -0.018 120.288 120.300 0.009 0.000 2.354 404 Y HA 0.547 5.097 4.550 -0.000 0.000 0.322 404 Y C 1.132 176.945 175.900 -0.145 0.000 1.253 404 Y CA -0.168 57.941 58.100 0.016 0.000 1.272 404 Y CB 1.722 40.273 38.460 0.150 0.000 1.255 404 Y HN 0.065 nan 8.280 nan 0.000 0.500 405 G N 0.928 109.731 108.800 0.005 0.000 5.432 405 G HA2 0.126 4.086 3.960 -0.000 0.000 0.221 405 G HA3 0.126 4.086 3.960 -0.000 0.000 0.221 405 G C 0.092 174.972 174.900 -0.033 0.000 0.809 405 G CA -0.127 44.770 45.100 -0.339 0.000 0.700 405 G HN 0.563 nan 8.290 nan 0.000 0.367 406 L N 0.626 121.979 121.223 0.217 0.000 2.130 406 L HA 0.805 5.145 4.340 -0.000 0.000 0.200 406 L C 1.028 177.961 176.870 0.105 0.000 1.075 406 L CA 1.808 56.708 54.840 0.100 0.000 0.768 406 L CB 0.093 42.197 42.059 0.075 0.000 0.933 406 L HN 0.289 nan 8.230 nan 0.000 0.451 407 A N -1.952 121.006 122.820 0.228 0.000 2.609 407 A HA 0.793 5.113 4.320 -0.000 0.000 0.291 407 A C -0.987 176.583 177.584 -0.022 0.000 1.096 407 A CA 0.167 52.210 52.037 0.011 0.000 0.684 407 A CB 1.223 20.284 19.000 0.102 0.000 1.282 407 A HN 0.320 nan 8.150 nan 0.000 0.412 408 S N -0.661 114.988 115.700 -0.085 0.000 2.611 408 S HA 0.825 5.295 4.470 -0.000 0.000 0.270 408 S C -0.766 173.956 174.600 0.203 0.000 1.131 408 S CA 0.033 58.214 58.200 -0.032 0.000 0.826 408 S CB 0.931 63.895 63.200 -0.392 0.000 1.095 408 S HN 2.323 nan 8.310 nan 0.000 0.461 409 S N -0.303 115.610 115.700 0.356 0.000 2.564 409 S HA 0.844 5.313 4.470 -0.000 0.000 0.274 409 S C -1.302 173.505 174.600 0.346 0.000 1.124 409 S CA -0.801 57.643 58.200 0.406 0.000 0.869 409 S CB 1.484 65.107 63.200 0.706 0.000 1.105 409 S HN 1.851 nan 8.310 nan 0.000 0.472 410 V N 2.042 122.077 119.914 0.201 0.000 2.540 410 V HA 0.756 4.876 4.120 -0.000 0.000 0.302 410 V C -2.107 174.081 176.094 0.158 0.000 1.035 410 V CA -0.641 61.828 62.300 0.280 0.000 0.873 410 V CB 1.318 33.281 31.823 0.233 0.000 0.992 410 V HN 0.949 nan 8.190 nan 0.000 0.428 411 W N 4.335 125.798 121.300 0.273 0.000 2.362 411 W HA 0.767 5.427 4.660 -0.000 0.000 0.316 411 W C 0.053 176.754 176.519 0.304 0.000 1.024 411 W CA -0.380 57.111 57.345 0.243 0.000 1.270 411 W CB 1.784 31.367 29.460 0.206 0.000 1.273 411 W HN 0.670 nan 8.180 nan 0.000 0.424 412 T N 1.819 116.586 114.554 0.354 0.000 2.977 412 T HA 0.188 4.537 4.350 -0.000 0.000 0.345 412 T C 0.406 175.188 174.700 0.136 0.000 1.562 412 T CA -0.642 61.615 62.100 0.261 0.000 1.090 412 T CB 1.321 70.294 68.868 0.174 0.000 1.383 412 T HN 0.446 nan 8.240 nan 0.000 0.484 413 K N 1.134 121.601 120.400 0.111 0.000 2.361 413 K HA 0.089 4.409 4.320 -0.000 0.000 0.196 413 K C 0.035 176.658 176.600 0.038 0.000 1.039 413 K CA 0.150 56.482 56.287 0.074 0.000 1.001 413 K CB 0.137 32.686 32.500 0.081 0.000 0.795 413 K HN 0.548 nan 8.250 nan 0.000 0.495 414 D N 0.359 120.767 120.400 0.013 0.000 2.343 414 D HA -0.000 4.640 4.640 -0.000 0.000 0.255 414 D C 1.177 177.475 176.300 -0.003 0.000 1.187 414 D CA -0.235 53.761 54.000 -0.007 0.000 0.875 414 D CB 1.283 42.054 40.800 -0.047 0.000 1.136 414 D HN -0.245 nan 8.370 nan 0.000 0.469 415 V N 3.930 123.861 119.914 0.028 0.000 2.287 415 V HA -0.149 3.971 4.120 -0.000 0.000 0.248 415 V C 2.433 178.592 176.094 0.108 0.000 1.053 415 V CA 2.038 64.387 62.300 0.081 0.000 1.027 415 V CB -1.274 30.607 31.823 0.096 0.000 0.646 415 V HN 0.760 nan 8.190 nan 0.000 0.447 416 G N -0.203 108.627 108.800 0.050 0.000 2.459 416 G HA2 -0.321 3.638 3.960 -0.000 0.000 0.217 416 G HA3 -0.321 3.638 3.960 -0.000 0.000 0.217 416 G C 1.732 176.642 174.900 0.016 0.000 1.183 416 G CA 1.134 46.257 45.100 0.038 0.000 0.776 416 G HN 0.445 nan 8.290 nan 0.000 0.552 417 R N 0.540 121.007 120.500 -0.055 0.000 2.080 417 R HA -0.048 4.292 4.340 -0.000 0.000 0.236 417 R C 2.936 179.179 176.300 -0.096 0.000 1.137 417 R CA 1.617 57.637 56.100 -0.133 0.000 0.943 417 R CB -0.518 29.605 30.300 -0.296 0.000 0.846 417 R HN 0.287 nan 8.270 nan 0.000 0.431 418 A N 0.532 123.302 122.820 -0.083 0.000 1.958 418 A HA -0.232 4.088 4.320 -0.000 0.000 0.221 418 A C 1.952 179.427 177.584 -0.182 0.000 1.178 418 A CA 1.755 53.724 52.037 -0.114 0.000 0.642 418 A CB -0.813 18.097 19.000 -0.149 0.000 0.816 418 A HN 0.485 nan 8.150 nan 0.000 0.453 419 H N -1.419 117.637 119.070 -0.023 0.000 2.415 419 H HA 0.069 4.625 4.556 -0.000 0.000 0.297 419 H C 2.386 177.704 175.328 -0.018 0.000 1.048 419 H CA 1.220 57.256 56.048 -0.020 0.000 1.365 419 H CB -0.072 29.676 29.762 -0.022 0.000 1.421 419 H HN 0.472 nan 8.280 nan 0.000 0.533 420 R N 0.266 120.814 120.500 0.080 0.000 2.073 420 R HA -0.091 4.249 4.340 -0.000 0.000 0.234 420 R C 2.360 178.675 176.300 0.025 0.000 1.134 420 R CA 1.229 57.351 56.100 0.038 0.000 0.952 420 R CB -0.123 30.182 30.300 0.008 0.000 0.850 420 R HN 0.051 nan 8.270 nan 0.000 0.433 421 V N 0.120 120.045 119.914 0.019 0.000 2.427 421 V HA -0.191 3.929 4.120 -0.000 0.000 0.248 421 V C 2.137 178.250 176.094 0.031 0.000 1.051 421 V CA 1.726 64.054 62.300 0.046 0.000 1.048 421 V CB -0.167 31.723 31.823 0.112 0.000 0.666 421 V HN 0.305 nan 8.190 nan 0.000 0.456 422 S N 0.373 116.072 115.700 -0.002 0.000 2.382 422 S HA -0.149 4.321 4.470 -0.000 0.000 0.228 422 S C 2.229 176.830 174.600 0.001 0.000 1.027 422 S CA 1.361 59.548 58.200 -0.022 0.000 0.991 422 S CB -0.436 62.711 63.200 -0.088 0.000 0.823 422 S HN 0.647 nan 8.310 nan 0.000 0.469 423 A N 1.507 124.339 122.820 0.020 0.000 1.933 423 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 423 A C 2.133 179.725 177.584 0.013 0.000 1.175 423 A CA 1.183 53.232 52.037 0.020 0.000 0.628 423 A CB -0.299 18.719 19.000 0.030 0.000 0.814 423 A HN 0.387 nan 8.150 nan 0.000 0.444 424 R N -1.275 119.238 120.500 0.021 0.000 2.223 424 R HA 0.275 4.615 4.340 -0.000 0.000 0.198 424 R C -0.188 176.138 176.300 0.043 0.000 0.984 424 R CA -0.258 55.855 56.100 0.022 0.000 1.018 424 R CB -0.126 30.185 30.300 0.018 0.000 0.945 424 R HN 0.386 nan 8.270 nan 0.000 0.479 425 L N 2.332 123.597 121.223 0.071 0.000 2.462 425 L HA -0.011 4.329 4.340 -0.000 0.000 0.272 425 L C 0.268 177.236 176.870 0.163 0.000 1.166 425 L CA 0.438 55.377 54.840 0.165 0.000 0.880 425 L CB 0.705 42.870 42.059 0.176 0.000 1.142 425 L HN 0.045 nan 8.230 nan 0.000 0.473 426 Q N 4.204 124.087 119.800 0.139 0.000 3.150 426 Q HA 0.275 4.615 4.340 -0.000 0.000 0.297 426 Q C -1.595 174.183 176.000 -0.370 0.000 1.382 426 Q CA 0.039 55.776 55.803 -0.109 0.000 1.059 426 Q CB 0.096 28.740 28.738 -0.158 0.000 1.559 426 Q HN 0.388 nan 8.270 nan 0.000 0.548 427 Y N -2.016 118.253 120.300 -0.051 0.000 2.504 427 Y HA 0.294 4.844 4.550 -0.000 0.000 0.344 427 Y C 1.219 177.039 175.900 -0.133 0.000 1.023 427 Y CA -1.003 57.056 58.100 -0.068 0.000 1.020 427 Y CB 1.661 40.092 38.460 -0.048 0.000 1.282 427 Y HN 0.346 nan 8.280 nan 0.000 0.454 428 G N 0.502 109.277 108.800 -0.041 0.000 2.475 428 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.220 428 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.220 428 G C 0.217 174.996 174.900 -0.203 0.000 1.125 428 G CA 1.363 46.376 45.100 -0.145 0.000 0.755 428 G HN 0.646 nan 8.290 nan 0.000 0.565 429 C N -0.861 118.296 119.300 -0.237 0.000 2.880 429 C HA 0.752 5.212 4.460 -0.000 0.000 0.320 429 C C -0.722 173.978 174.990 -0.483 0.000 1.176 429 C CA -0.544 58.208 59.018 -0.444 0.000 1.390 429 C CB 1.383 28.730 27.740 -0.654 0.000 1.846 429 C HN 0.085 nan 8.230 nan 0.000 0.478 430 T N 5.471 119.729 114.554 -0.494 0.000 2.879 430 T HA 0.545 4.895 4.350 -0.000 0.000 0.290 430 T C -0.901 173.563 174.700 -0.394 0.000 0.993 430 T CA -0.147 61.740 62.100 -0.355 0.000 0.975 430 T CB 0.630 69.405 68.868 -0.155 0.000 0.981 430 T HN 0.713 nan 8.240 nan 0.000 0.439 431 W N 2.096 123.300 121.300 -0.159 0.000 2.448 431 W HA 0.635 5.294 4.660 -0.000 0.000 0.339 431 W C -0.618 175.757 176.519 -0.240 0.000 1.124 431 W CA -0.845 56.379 57.345 -0.203 0.000 1.262 431 W CB 1.325 30.638 29.460 -0.244 0.000 1.251 431 W HN 0.238 nan 8.180 nan 0.000 0.597 432 V N 3.634 123.516 119.914 -0.054 0.000 2.376 432 V HA 0.111 4.231 4.120 -0.000 0.000 0.287 432 V C -0.003 175.868 176.094 -0.372 0.000 1.015 432 V CA -0.880 61.297 62.300 -0.205 0.000 0.834 432 V CB 0.983 32.710 31.823 -0.160 0.000 1.001 432 V HN 0.697 nan 8.190 nan 0.000 0.428 433 N N 1.787 120.027 118.700 -0.767 0.000 2.741 433 N HA -0.161 4.579 4.740 -0.000 0.000 0.250 433 N C 0.020 174.831 175.510 -1.165 0.000 1.115 433 N CA 1.620 54.045 53.050 -1.042 0.000 0.724 433 N CB -0.861 37.438 38.487 -0.314 0.000 1.090 433 N HN 0.889 nan 8.380 nan 0.000 0.558 434 T N -2.200 111.652 114.554 -1.169 0.000 2.649 434 T HA 0.559 4.908 4.350 -0.000 0.000 0.305 434 T C -2.053 172.516 174.700 -0.218 0.000 1.409 434 T CA -0.381 61.425 62.100 -0.490 0.000 1.021 434 T CB 1.471 70.211 68.868 -0.214 0.000 1.726 434 T HN 0.348 nan 8.240 nan 0.000 0.475 435 H N -1.339 117.374 119.070 -0.595 0.000 3.003 435 H HA 0.560 5.116 4.556 -0.000 0.000 0.327 435 H C -0.174 173.925 175.328 -2.048 0.000 1.353 435 H CA 0.197 55.564 56.048 -1.136 0.000 1.142 435 H CB 1.127 30.734 29.762 -0.259 0.000 1.864 435 H HN 0.703 nan 8.280 nan 0.000 0.529 436 F N -0.175 117.984 119.950 -2.985 0.000 2.496 436 F HA -0.267 4.260 4.527 -0.000 0.000 0.523 436 F C -0.503 174.751 175.800 -0.910 0.000 0.526 436 F CA 0.607 57.679 58.000 -1.546 0.000 1.272 436 F CB -0.438 37.730 39.000 -1.386 0.000 1.968 436 F HN 0.392 nan 8.300 nan 0.000 0.263 437 M N 3.271 122.377 119.600 -0.824 0.000 2.146 437 M HA 0.389 4.869 4.480 -0.000 0.000 0.352 437 M C -0.249 176.140 176.300 0.147 0.000 1.343 437 M CA 0.578 55.759 55.300 -0.198 0.000 1.115 437 M CB 0.415 32.931 32.600 -0.140 0.000 1.657 437 M HN 0.076 nan 8.290 nan 0.000 0.471 438 L N 4.558 125.787 121.223 0.011 0.000 2.346 438 L HA 0.824 5.164 4.340 -0.000 0.000 0.276 438 L C -0.216 176.630 176.870 -0.040 0.000 1.006 438 L CA -1.098 53.751 54.840 0.015 0.000 0.817 438 L CB 1.956 43.999 42.059 -0.027 0.000 1.272 438 L HN 0.513 nan 8.230 nan 0.000 0.421 439 V N -1.204 118.661 119.914 -0.083 0.000 2.962 439 V HA 0.438 4.558 4.120 -0.000 0.000 0.313 439 V C 0.576 176.510 176.094 -0.267 0.000 1.099 439 V CA -0.561 61.659 62.300 -0.133 0.000 0.971 439 V CB 1.617 33.374 31.823 -0.109 0.000 1.028 439 V HN 0.747 nan 8.190 nan 0.000 0.430 440 S N 1.301 116.794 115.700 -0.346 0.000 2.399 440 S HA -0.136 4.334 4.470 -0.000 0.000 0.231 440 S C 1.546 175.447 174.600 -1.166 0.000 1.022 440 S CA 2.135 59.948 58.200 -0.645 0.000 0.983 440 S CB -0.218 62.658 63.200 -0.541 0.000 0.803 440 S HN 0.981 nan 8.310 nan 0.000 0.480 441 E N 0.287 119.966 120.200 -0.869 0.000 2.274 441 E HA 0.064 4.414 4.350 -0.000 0.000 0.194 441 E C 0.176 176.539 176.600 -0.396 0.000 0.996 441 E CA 0.607 56.568 56.400 -0.731 0.000 0.840 441 E CB 0.051 29.580 29.700 -0.285 0.000 0.772 441 E HN 0.332 nan 8.360 nan 0.000 0.491 442 M N 1.579 120.993 119.600 -0.310 0.000 2.268 442 M HA 0.315 4.795 4.480 -0.000 0.000 0.344 442 M C -2.426 173.786 176.300 -0.147 0.000 1.106 442 M CA -2.977 52.228 55.300 -0.157 0.000 1.010 442 M CB 1.060 33.587 32.600 -0.123 0.000 1.649 442 M HN -0.195 nan 8.290 nan 0.000 0.443 443 P HA 0.201 nan 4.420 nan 0.000 0.274 443 P C -1.287 175.973 177.300 -0.067 0.000 1.231 443 P CA 0.060 63.137 63.100 -0.037 0.000 0.790 443 P CB 0.681 32.389 31.700 0.014 0.000 0.951 444 H N -0.272 118.688 119.070 -0.183 0.000 2.689 444 H HA 0.669 5.225 4.556 -0.000 0.000 0.346 444 H C -0.587 174.679 175.328 -0.103 0.000 1.037 444 H CA -0.230 55.721 56.048 -0.162 0.000 1.234 444 H CB 1.059 30.701 29.762 -0.200 0.000 1.572 444 H HN 0.820 nan 8.280 nan 0.000 0.524 445 G N 1.704 110.214 108.800 -0.483 0.000 2.321 445 G HA2 0.432 4.392 3.960 -0.000 0.000 0.298 445 G HA3 0.432 4.392 3.960 -0.000 0.000 0.298 445 G C -0.947 173.792 174.900 -0.268 0.000 1.385 445 G CA -0.330 44.560 45.100 -0.350 0.000 0.856 445 G HN 0.929 nan 8.290 nan 0.000 0.584 446 G N -1.328 107.351 108.800 -0.201 0.000 2.971 446 G HA2 0.841 4.801 3.960 -0.000 0.000 0.235 446 G HA3 0.841 4.801 3.960 -0.000 0.000 0.235 446 G C -0.286 174.541 174.900 -0.121 0.000 1.351 446 G CA 0.321 45.332 45.100 -0.149 0.000 1.039 446 G HN 1.192 nan 8.290 nan 0.000 0.563 447 Q N -2.182 117.549 119.800 -0.115 0.000 2.693 447 Q HA 0.576 4.916 4.340 -0.000 0.000 0.306 447 Q C -0.388 175.553 176.000 -0.099 0.000 0.969 447 Q CA -0.945 54.802 55.803 -0.093 0.000 0.757 447 Q CB 1.586 30.254 28.738 -0.118 0.000 1.494 447 Q HN 0.580 nan 8.270 nan 0.000 0.459 448 K N -1.393 118.960 120.400 -0.079 0.000 1.987 448 K HA -0.269 4.051 4.320 -0.000 0.000 0.206 448 K C 0.702 177.250 176.600 -0.086 0.000 1.587 448 K CA 1.342 57.577 56.287 -0.087 0.000 0.589 448 K CB -1.393 31.029 32.500 -0.130 0.000 0.682 448 K HN 0.459 nan 8.250 nan 0.000 0.876 449 L N 1.377 122.522 121.223 -0.131 0.000 2.610 449 L HA 0.029 4.369 4.340 -0.000 0.000 0.232 449 L C 1.978 178.778 176.870 -0.116 0.000 1.149 449 L CA 1.178 55.931 54.840 -0.145 0.000 0.872 449 L CB -0.115 41.811 42.059 -0.222 0.000 0.992 449 L HN 0.407 nan 8.230 nan 0.000 0.447 450 S N -0.655 115.003 115.700 -0.070 0.000 2.522 450 S HA 0.324 4.794 4.470 -0.000 0.000 0.227 450 S C 1.229 175.746 174.600 -0.139 0.000 0.986 450 S CA 0.630 58.818 58.200 -0.019 0.000 0.929 450 S CB -0.099 63.129 63.200 0.047 0.000 0.769 450 S HN 0.666 nan 8.310 nan 0.000 0.529 451 G N 0.680 109.352 108.800 -0.214 0.000 2.445 451 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.212 451 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.212 451 G C -1.090 173.599 174.900 -0.351 0.000 1.217 451 G CA -0.299 44.517 45.100 -0.473 0.000 1.002 451 G HN 0.718 nan 8.290 nan 0.000 0.574 452 Y N -2.584 117.619 120.300 -0.161 0.000 2.702 452 Y HA 0.690 5.240 4.550 -0.000 0.000 0.336 452 Y C 0.493 176.224 175.900 -0.282 0.000 1.203 452 Y CA -0.475 57.518 58.100 -0.178 0.000 1.072 452 Y CB 0.723 39.101 38.460 -0.137 0.000 1.327 452 Y HN 2.753 nan 8.280 nan 0.000 0.456 453 G N 1.713 110.506 108.800 -0.012 0.000 2.705 453 G HA2 0.243 4.203 3.960 -0.000 0.000 0.686 453 G HA3 0.243 4.203 3.960 -0.000 0.000 0.686 453 G C -1.724 173.083 174.900 -0.154 0.000 1.285 453 G CA -0.967 44.036 45.100 -0.161 0.000 0.800 453 G HN 0.610 nan 8.290 nan 0.000 0.611 454 K N 0.801 121.265 120.400 0.107 0.000 2.281 454 K HA 0.641 4.961 4.320 -0.000 0.000 0.242 454 K C -0.554 176.199 176.600 0.256 0.000 0.971 454 K CA -0.843 55.510 56.287 0.111 0.000 0.834 454 K CB 1.954 34.517 32.500 0.106 0.000 1.181 454 K HN 0.628 nan 8.250 nan 0.000 0.435 455 D N 1.669 122.143 120.400 0.125 0.000 2.299 455 D HA 0.453 5.092 4.640 -0.000 0.000 0.243 455 D C 0.641 176.791 176.300 -0.251 0.000 0.982 455 D CA -0.331 53.656 54.000 -0.022 0.000 0.924 455 D CB 1.312 42.003 40.800 -0.181 0.000 1.238 455 D HN 0.390 nan 8.370 nan 0.000 0.484 456 M N 0.046 119.520 119.600 -0.210 0.000 7.319 456 M HA -0.315 4.165 4.480 -0.000 0.000 0.157 456 M C 0.202 176.503 176.300 0.002 0.000 0.480 456 M CA 0.854 56.064 55.300 -0.150 0.000 1.311 456 M CB -1.063 31.198 32.600 -0.564 0.000 0.421 456 M HN 0.932 nan 8.290 nan 0.000 0.190 457 S N -1.294 114.222 115.700 -0.305 0.000 3.832 457 S HA -0.155 4.314 4.470 -0.000 0.000 0.719 457 S C 0.319 175.035 174.600 0.193 0.000 1.382 457 S CA 0.148 58.278 58.200 -0.117 0.000 1.406 457 S CB -0.678 62.546 63.200 0.040 0.000 0.425 457 S HN 0.911 nan 8.310 nan 0.000 0.834 458 L N 0.759 122.048 121.223 0.110 0.000 2.129 458 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 458 L C 2.399 179.251 176.870 -0.030 0.000 1.087 458 L CA 2.303 57.124 54.840 -0.031 0.000 0.757 458 L CB -0.688 41.221 42.059 -0.249 0.000 0.896 458 L HN 0.784 nan 8.230 nan 0.000 0.434 459 Y N -0.480 119.900 120.300 0.133 0.000 2.181 459 Y HA -0.146 4.404 4.550 -0.000 0.000 0.288 459 Y C 2.588 178.598 175.900 0.184 0.000 1.146 459 Y CA 1.216 59.387 58.100 0.118 0.000 1.164 459 Y CB -1.205 37.293 38.460 0.063 0.000 0.982 459 Y HN 0.109 nan 8.280 nan 0.000 0.515 460 G N -0.380 108.655 108.800 0.393 0.000 2.470 460 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.220 460 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.220 460 G C 1.584 176.726 174.900 0.404 0.000 1.121 460 G CA 0.843 46.183 45.100 0.399 0.000 0.766 460 G HN 0.315 nan 8.290 nan 0.000 0.553 461 L N 0.406 121.892 121.223 0.437 0.000 2.068 461 L HA 0.202 4.541 4.340 -0.000 0.000 0.204 461 L C 2.563 179.580 176.870 0.244 0.000 1.076 461 L CA 1.662 56.701 54.840 0.332 0.000 0.753 461 L CB -0.662 41.593 42.059 0.326 0.000 0.910 461 L HN 0.301 nan 8.230 nan 0.000 0.439 462 E N -0.344 119.971 120.200 0.191 0.000 2.097 462 E HA -0.260 4.090 4.350 -0.000 0.000 0.196 462 E C 1.638 178.307 176.600 0.115 0.000 1.000 462 E CA 1.374 57.855 56.400 0.134 0.000 0.804 462 E CB -0.177 29.595 29.700 0.120 0.000 0.740 462 E HN 0.505 nan 8.360 nan 0.000 0.454 463 D N -0.276 120.193 120.400 0.114 0.000 2.271 463 D HA -0.169 4.471 4.640 -0.000 0.000 0.207 463 D C 0.533 176.673 176.300 -0.267 0.000 0.983 463 D CA 1.179 55.149 54.000 -0.050 0.000 0.878 463 D CB -0.096 40.665 40.800 -0.065 0.000 0.920 463 D HN 0.356 nan 8.370 nan 0.000 0.479 464 Y N -0.405 119.892 120.300 -0.006 0.000 2.708 464 Y HA 0.202 4.751 4.550 -0.000 0.000 0.287 464 Y C 0.667 176.572 175.900 0.010 0.000 1.145 464 Y CA -0.374 57.711 58.100 -0.027 0.000 1.249 464 Y CB 0.261 38.682 38.460 -0.066 0.000 1.152 464 Y HN -0.193 nan 8.280 nan 0.000 0.532 465 T N -3.154 111.460 114.554 0.099 0.000 2.906 465 T HA 0.631 4.981 4.350 -0.000 0.000 0.295 465 T C -1.096 173.636 174.700 0.052 0.000 1.075 465 T CA -0.963 61.189 62.100 0.087 0.000 1.005 465 T CB 1.892 70.809 68.868 0.083 0.000 1.136 465 T HN -0.143 nan 8.240 nan 0.000 0.498 466 V N 2.340 122.286 119.914 0.054 0.000 2.435 466 V HA 0.628 4.748 4.120 -0.000 0.000 0.290 466 V C -0.400 175.716 176.094 0.036 0.000 1.030 466 V CA -0.631 61.692 62.300 0.038 0.000 0.881 466 V CB 1.388 33.233 31.823 0.037 0.000 0.983 466 V HN 0.942 nan 8.190 nan 0.000 0.445 467 V N 8.307 128.236 119.914 0.026 0.000 2.530 467 V HA 0.499 4.618 4.120 -0.000 0.000 0.282 467 V C 0.389 176.502 176.094 0.032 0.000 1.048 467 V CA -0.227 62.087 62.300 0.024 0.000 0.997 467 V CB 0.997 32.826 31.823 0.009 0.000 0.987 467 V HN 0.888 nan 8.190 nan 0.000 0.477 468 R N 2.560 123.086 120.500 0.044 0.000 2.621 468 R HA 0.427 4.767 4.340 -0.000 0.000 0.292 468 R C -0.664 175.700 176.300 0.106 0.000 0.969 468 R CA -0.714 55.424 56.100 0.063 0.000 0.887 468 R CB 2.048 32.376 30.300 0.048 0.000 1.180 468 R HN 0.851 nan 8.270 nan 0.000 0.450 469 H N 3.002 122.066 119.070 -0.011 0.000 2.556 469 H HA 0.348 4.904 4.556 -0.000 0.000 0.310 469 H C -1.074 174.255 175.328 0.002 0.000 1.057 469 H CA -0.707 55.333 56.048 -0.013 0.000 1.264 469 H CB 1.021 30.766 29.762 -0.029 0.000 1.404 469 H HN 0.178 nan 8.280 nan 0.000 0.462 470 V N 7.635 127.521 119.914 -0.047 0.000 2.417 470 V HA 0.238 4.358 4.120 -0.000 0.000 0.291 470 V C -0.050 175.942 176.094 -0.171 0.000 1.024 470 V CA -0.618 61.604 62.300 -0.131 0.000 0.861 470 V CB 1.514 33.324 31.823 -0.020 0.000 0.985 470 V HN 0.796 nan 8.190 nan 0.000 0.436 471 M N 5.913 125.372 119.600 -0.235 0.000 2.204 471 M HA 0.652 5.132 4.480 -0.000 0.000 0.293 471 M C -2.033 174.268 176.300 0.002 0.000 0.994 471 M CA -0.463 54.772 55.300 -0.109 0.000 0.925 471 M CB 1.916 34.381 32.600 -0.225 0.000 1.577 471 M HN 0.417 nan 8.290 nan 0.000 0.439 472 V N 5.154 125.111 119.914 0.072 0.000 2.384 472 V HA 0.373 4.493 4.120 -0.000 0.000 0.287 472 V C -0.081 176.066 176.094 0.088 0.000 1.020 472 V CA -0.797 61.550 62.300 0.079 0.000 0.850 472 V CB 1.625 33.499 31.823 0.085 0.000 0.987 472 V HN 0.811 nan 8.190 nan 0.000 0.436 473 K N 4.209 124.634 120.400 0.042 0.000 2.368 473 K HA 0.237 4.557 4.320 -0.000 0.000 0.282 473 K C 0.241 176.824 176.600 -0.029 0.000 1.035 473 K CA -0.228 55.967 56.287 -0.152 0.000 0.973 473 K CB 0.342 32.762 32.500 -0.133 0.000 0.957 473 K HN 0.786 nan 8.250 nan 0.000 0.474 474 H N 0.000 118.934 119.070 -0.227 0.000 2.539 474 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 474 H CA 0.000 55.968 56.048 -0.133 0.000 1.023 474 H CB 0.000 29.691 29.762 -0.119 0.000 1.292 474 H HN 0.000 nan 8.280 nan 0.000 0.496