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 2d7d_1_A DATA FIRST_RESID 3 DATA SEQUENCE DRFELVSKYQ PQGDQPKAIE KLVKGIQEGK KHQTLLGATG TGKTFTVSNL DATA SEQUENCE IKEVNKPTLV IAHNKTLAGQ LYSEFKEFFP NNAVEYFVSY YDYYQPEAYV DATA SEQUENCE PQTDTFIEKD ASINDEIDKL RHSATSALFE RRDVIIIASV SCIYGLGSPE DATA SEQUENCE EYREMVVSLR TEMEIERNEL LRKLVDIQYA RNDIDFQRGT FRVRGDVVEI DATA SEQUENCE FPASRDEHCV RVEFFGDEIE RIREVDALTG EILGDRDHVA IFPASHFVTR DATA SEQUENCE AEKMEKAIQN IEKELEEQLK VMHENGKLLE AQRLEQRTRY DLEMMREMGF DATA SEQUENCE CSGIENYSRH LTLRPPGSTP YTLLDYFPDD FMIVVDESHV TIPQVRGMFN DATA SEQUENCE GDQARKQVLV DHGFRLPSAL DNRPLRFEEF EKHMHNIVYV SATPGPYEIE DATA SEQUENCE HTDEMVEQII RPTGLLDPLI DVRPIEGQID DLIGEIQARI ERNERVLVTT DATA SEQUENCE LTKKMSEDLT DYLKEIGIKV NYLHSEIKTL ERIEIIRDLR LGKYDVLVGI DATA SEQUENCE NLLREGLDIP EVSLVAILDA DKEGFLRSER SLIQTIGRAA RNAEGRVIMY DATA SEQUENCE ADKITKSMEI AINETKRRRE QQERFNEEHG ITPKTINXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXKK ERQKVVEQME HEMKEAAKAL DFERAAELRD DATA SEQUENCE LL 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 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.182 176.300 -0.197 0.000 2.045 3 D CA 0.000 53.931 54.000 -0.114 0.000 0.868 3 D CB 0.000 40.726 40.800 -0.124 0.000 0.688 4 R N 0.429 120.857 120.500 -0.119 0.000 2.698 4 R HA 0.361 4.586 4.340 -0.191 0.000 0.266 4 R C 0.207 176.429 176.300 -0.130 0.000 1.026 4 R CA 0.315 56.353 56.100 -0.102 0.000 1.102 4 R CB -0.834 29.476 30.300 0.016 0.000 0.978 4 R HN 0.074 nan 8.270 nan 0.000 0.436 5 F N 0.789 120.775 119.950 0.061 0.000 2.484 5 F HA 0.167 4.582 4.527 -0.188 0.000 0.360 5 F C 1.334 177.271 175.800 0.228 0.000 1.101 5 F CA 0.473 58.544 58.000 0.118 0.000 1.251 5 F CB 1.314 40.318 39.000 0.007 0.000 1.132 5 F HN 0.700 nan 8.300 nan 0.000 0.570 6 E N 4.833 125.343 120.200 0.517 0.000 2.141 6 E HA 0.256 4.491 4.350 -0.191 0.000 0.259 6 E C -1.551 175.254 176.600 0.342 0.000 0.883 6 E CA -1.080 55.528 56.400 0.347 0.000 0.744 6 E CB 1.087 30.917 29.700 0.217 0.000 1.150 6 E HN 0.541 nan 8.360 nan 0.000 0.420 7 L N 5.870 127.218 121.223 0.210 0.000 2.315 7 L HA 0.250 4.475 4.340 -0.191 0.000 0.283 7 L C -1.340 175.474 176.870 -0.093 0.000 1.089 7 L CA -0.168 54.586 54.840 -0.144 0.000 0.833 7 L CB 1.105 43.087 42.059 -0.127 0.000 1.170 7 L HN 0.310 nan 8.230 nan 0.000 0.442 8 V N 5.194 125.027 119.914 -0.135 0.000 2.370 8 V HA 0.736 4.741 4.120 -0.191 0.000 0.283 8 V C 0.068 176.157 176.094 -0.008 0.000 1.023 8 V CA -0.198 62.077 62.300 -0.041 0.000 0.857 8 V CB 1.143 32.950 31.823 -0.026 0.000 0.985 8 V HN 0.905 nan 8.190 nan 0.000 0.443 9 S N 3.527 119.208 115.700 -0.032 0.000 2.547 9 S HA 0.416 4.771 4.470 -0.191 0.000 0.270 9 S C 0.260 174.735 174.600 -0.207 0.000 1.150 9 S CA -0.752 57.362 58.200 -0.142 0.000 0.850 9 S CB 1.876 65.009 63.200 -0.111 0.000 1.118 9 S HN 0.583 nan 8.310 nan 0.000 0.461 10 K N 1.666 121.842 120.400 -0.373 0.000 2.555 10 K HA 0.097 4.303 4.320 -0.191 0.000 0.193 10 K C -0.192 176.366 176.600 -0.070 0.000 1.032 10 K CA 0.651 56.806 56.287 -0.219 0.000 1.004 10 K CB -0.392 31.989 32.500 -0.198 0.000 0.804 10 K HN 0.616 nan 8.250 nan 0.000 0.496 11 Y N 1.332 121.515 120.300 -0.194 0.000 2.453 11 Y HA 0.191 4.712 4.550 -0.048 0.000 0.326 11 Y C 0.827 176.668 175.900 -0.098 0.000 1.186 11 Y CA -1.392 56.538 58.100 -0.283 0.000 1.200 11 Y CB 1.132 39.114 38.460 -0.797 0.000 1.247 11 Y HN -0.047 nan 8.280 nan 0.000 0.482 12 Q N 1.048 120.951 119.800 0.170 0.000 2.345 12 Q HA 0.516 4.742 4.340 -0.191 0.000 0.268 12 Q C -3.092 173.101 176.000 0.322 0.000 1.054 12 Q CA -2.714 53.236 55.803 0.245 0.000 0.835 12 Q CB 1.932 30.758 28.738 0.147 0.000 1.339 12 Q HN 0.262 nan 8.270 nan 0.000 0.447 13 P HA -0.079 nan 4.420 nan 0.000 0.261 13 P C -0.914 176.474 177.300 0.147 0.000 1.183 13 P CA 0.673 63.943 63.100 0.283 0.000 0.761 13 P CB 0.453 32.221 31.700 0.113 0.000 0.785 14 Q N 1.723 121.581 119.800 0.098 0.000 2.458 14 Q HA 0.596 4.822 4.340 -0.191 0.000 0.282 14 Q C 0.849 176.824 176.000 -0.042 0.000 1.106 14 Q CA -0.350 55.474 55.803 0.035 0.000 0.814 14 Q CB 2.082 30.817 28.738 -0.005 0.000 1.425 14 Q HN 0.629 nan 8.270 nan 0.000 0.437 15 G N 2.239 110.981 108.800 -0.097 0.000 2.531 15 G HA2 -0.323 3.523 3.960 -0.191 0.000 0.274 15 G HA3 -0.323 3.523 3.960 -0.191 0.000 0.274 15 G C -0.135 174.583 174.900 -0.304 0.000 1.159 15 G CA 0.565 45.386 45.100 -0.465 0.000 0.969 15 G HN 0.811 nan 8.290 nan 0.000 0.554 16 D N 0.450 120.679 120.400 -0.285 0.000 2.463 16 D HA 0.208 4.733 4.640 -0.191 0.000 0.224 16 D C 1.739 177.997 176.300 -0.070 0.000 1.174 16 D CA 0.606 54.527 54.000 -0.131 0.000 0.829 16 D CB 0.021 40.744 40.800 -0.129 0.000 0.993 16 D HN 0.697 nan 8.370 nan 0.000 0.497 17 Q N 0.231 119.995 119.800 -0.060 0.000 2.084 17 Q HA -0.058 4.168 4.340 -0.191 0.000 0.202 17 Q C -0.594 175.388 176.000 -0.029 0.000 0.978 17 Q CA 1.486 57.270 55.803 -0.032 0.000 0.844 17 Q CB -0.905 27.837 28.738 0.007 0.000 0.898 17 Q HN 0.339 nan 8.270 nan 0.000 0.426 18 P HA -0.200 nan 4.420 nan 0.000 0.215 18 P C 0.992 178.290 177.300 -0.003 0.000 1.157 18 P CA 1.305 64.404 63.100 -0.000 0.000 0.868 18 P CB 0.031 31.750 31.700 0.031 0.000 0.788 19 K N 0.368 120.771 120.400 0.005 0.000 2.057 19 K HA -0.064 4.141 4.320 -0.191 0.000 0.207 19 K C 1.948 178.545 176.600 -0.005 0.000 1.049 19 K CA 1.868 58.159 56.287 0.006 0.000 0.931 19 K CB -1.384 31.125 32.500 0.016 0.000 0.714 19 K HN -0.049 nan 8.250 nan 0.000 0.440 20 A N 0.799 123.610 122.820 -0.015 0.000 1.883 20 A HA -0.142 4.064 4.320 -0.191 0.000 0.217 20 A C 2.325 179.894 177.584 -0.025 0.000 1.186 20 A CA 1.962 53.989 52.037 -0.017 0.000 0.624 20 A CB -0.774 18.214 19.000 -0.020 0.000 0.822 20 A HN 0.352 nan 8.150 nan 0.000 0.444 21 I N -0.693 119.852 120.570 -0.041 0.000 2.127 21 I HA -0.296 3.760 4.170 -0.191 0.000 0.241 21 I C 2.565 178.662 176.117 -0.033 0.000 1.075 21 I CA 1.885 63.153 61.300 -0.054 0.000 1.334 21 I CB -0.470 37.478 38.000 -0.087 0.000 1.040 21 I HN 0.517 nan 8.210 nan 0.000 0.405 22 E N 1.502 121.689 120.200 -0.021 0.000 2.065 22 E HA -0.316 3.919 4.350 -0.191 0.000 0.201 22 E C 2.185 178.780 176.600 -0.008 0.000 1.016 22 E CA 1.887 58.282 56.400 -0.010 0.000 0.818 22 E CB 0.009 29.709 29.700 -0.000 0.000 0.749 22 E HN 0.413 nan 8.360 nan 0.000 0.453 23 K N -0.022 120.374 120.400 -0.007 0.000 2.097 23 K HA -0.127 4.079 4.320 -0.191 0.000 0.206 23 K C 2.304 178.900 176.600 -0.008 0.000 1.049 23 K CA 1.190 57.475 56.287 -0.004 0.000 0.933 23 K CB -0.102 32.398 32.500 0.001 0.000 0.717 23 K HN 0.203 nan 8.250 nan 0.000 0.442 24 L N 0.314 121.529 121.223 -0.013 0.000 2.072 24 L HA -0.154 4.072 4.340 -0.191 0.000 0.205 24 L C 2.292 179.148 176.870 -0.024 0.000 1.079 24 L CA 0.704 55.532 54.840 -0.019 0.000 0.752 24 L CB -0.376 41.669 42.059 -0.023 0.000 0.906 24 L HN -0.022 nan 8.230 nan 0.000 0.436 25 V N 0.016 119.917 119.914 -0.022 0.000 2.295 25 V HA -0.297 3.709 4.120 -0.191 0.000 0.246 25 V C 2.488 178.574 176.094 -0.013 0.000 1.049 25 V CA 1.770 64.060 62.300 -0.018 0.000 1.024 25 V CB -0.552 31.263 31.823 -0.014 0.000 0.648 25 V HN 0.408 nan 8.190 nan 0.000 0.447 26 K N 0.235 120.629 120.400 -0.010 0.000 2.057 26 K HA -0.130 4.076 4.320 -0.191 0.000 0.207 26 K C 2.303 178.896 176.600 -0.012 0.000 1.049 26 K CA 1.470 57.752 56.287 -0.008 0.000 0.931 26 K CB -0.780 31.718 32.500 -0.004 0.000 0.714 26 K HN 0.557 nan 8.250 nan 0.000 0.440 27 G N 1.673 110.465 108.800 -0.015 0.000 2.505 27 G HA2 -0.274 3.572 3.960 -0.191 0.000 0.220 27 G HA3 -0.274 3.572 3.960 -0.191 0.000 0.220 27 G C 1.459 176.338 174.900 -0.035 0.000 1.145 27 G CA 1.045 46.133 45.100 -0.021 0.000 0.761 27 G HN 0.120 nan 8.290 nan 0.000 0.571 28 I N 0.532 121.080 120.570 -0.037 0.000 2.353 28 I HA -0.103 3.952 4.170 -0.191 0.000 0.248 28 I C 2.966 179.064 176.117 -0.032 0.000 1.119 28 I CA 1.103 62.376 61.300 -0.045 0.000 1.417 28 I CB -0.281 37.696 38.000 -0.037 0.000 1.078 28 I HN 0.226 nan 8.210 nan 0.000 0.421 29 Q N 0.124 119.913 119.800 -0.018 0.000 2.124 29 Q HA -0.217 4.008 4.340 -0.191 0.000 0.202 29 Q C 1.571 177.561 176.000 -0.016 0.000 0.977 29 Q CA 1.324 57.121 55.803 -0.010 0.000 0.850 29 Q CB -0.204 28.532 28.738 -0.004 0.000 0.901 29 Q HN 0.560 nan 8.270 nan 0.000 0.429 30 E N -0.379 119.808 120.200 -0.021 0.000 2.512 30 E HA 0.019 4.254 4.350 -0.191 0.000 0.195 30 E C 0.642 177.218 176.600 -0.040 0.000 1.083 30 E CA 0.210 56.596 56.400 -0.024 0.000 0.873 30 E CB 0.065 29.754 29.700 -0.019 0.000 0.897 30 E HN 0.502 nan 8.360 nan 0.000 0.514 31 G N 2.563 111.329 108.800 -0.057 0.000 2.203 31 G HA2 -0.356 3.490 3.960 -0.191 0.000 0.263 31 G HA3 -0.356 3.490 3.960 -0.191 0.000 0.263 31 G C 0.008 174.839 174.900 -0.115 0.000 1.012 31 G CA 0.275 45.316 45.100 -0.099 0.000 0.749 31 G HN 0.215 nan 8.290 nan 0.000 0.512 32 K N 0.110 120.460 120.400 -0.084 0.000 2.395 32 K HA 0.146 4.351 4.320 -0.191 0.000 0.283 32 K C 1.602 178.128 176.600 -0.123 0.000 1.068 32 K CA 0.422 56.668 56.287 -0.068 0.000 1.039 32 K CB 0.719 33.200 32.500 -0.031 0.000 0.924 32 K HN 0.384 nan 8.250 nan 0.000 0.468 33 K N 3.005 123.319 120.400 -0.143 0.000 2.026 33 K HA -0.113 4.093 4.320 -0.191 0.000 0.208 33 K C 0.072 176.458 176.600 -0.357 0.000 1.048 33 K CA 1.175 57.283 56.287 -0.298 0.000 0.929 33 K CB 0.209 32.508 32.500 -0.336 0.000 0.713 33 K HN 0.590 nan 8.250 nan 0.000 0.439 34 H N 0.701 119.746 119.070 -0.043 0.000 2.481 34 H HA 0.306 4.747 4.556 -0.192 0.000 0.333 34 H C -0.628 174.718 175.328 0.030 0.000 1.066 34 H CA -0.619 55.440 56.048 0.019 0.000 1.209 34 H CB 1.600 31.491 29.762 0.214 0.000 1.445 34 H HN 0.219 nan 8.280 nan 0.000 0.488 35 Q N 1.320 121.176 119.800 0.092 0.000 2.456 35 Q HA 0.444 4.670 4.340 -0.191 0.000 0.283 35 Q C -0.917 175.186 176.000 0.171 0.000 1.084 35 Q CA -0.976 54.890 55.803 0.105 0.000 0.801 35 Q CB 3.018 31.766 28.738 0.017 0.000 1.434 35 Q HN 0.497 nan 8.270 nan 0.000 0.419 36 T N 1.549 116.218 114.554 0.191 0.000 2.841 36 T HA 0.360 4.595 4.350 -0.191 0.000 0.285 36 T C -1.269 173.507 174.700 0.126 0.000 0.991 36 T CA -0.587 61.649 62.100 0.228 0.000 0.966 36 T CB 0.994 70.009 68.868 0.245 0.000 0.962 36 T HN 0.323 nan 8.240 nan 0.000 0.438 37 L N 4.472 125.767 121.223 0.119 0.000 2.268 37 L HA 0.469 4.694 4.340 -0.191 0.000 0.289 37 L C -0.291 176.631 176.870 0.087 0.000 1.064 37 L CA -0.512 54.377 54.840 0.081 0.000 0.824 37 L CB 0.151 42.252 42.059 0.071 0.000 1.202 37 L HN 0.682 nan 8.230 nan 0.000 0.433 38 L N 6.005 127.264 121.223 0.061 0.000 2.423 38 L HA 0.412 4.637 4.340 -0.191 0.000 0.249 38 L C 0.455 177.344 176.870 0.031 0.000 1.276 38 L CA -0.330 54.538 54.840 0.046 0.000 1.199 38 L CB -0.248 41.829 42.059 0.030 0.000 1.407 38 L HN 0.856 nan 8.230 nan 0.000 0.410 39 G N 2.206 111.032 108.800 0.043 0.000 2.322 39 G HA2 0.526 4.372 3.960 -0.191 0.000 0.309 39 G HA3 0.526 4.372 3.960 -0.191 0.000 0.309 39 G C 0.054 174.969 174.900 0.025 0.000 1.121 39 G CA -0.248 44.870 45.100 0.031 0.000 0.886 39 G HN 0.671 nan 8.290 nan 0.000 0.447 40 A N 2.552 125.375 122.820 0.005 0.000 2.425 40 A HA 0.560 4.765 4.320 -0.191 0.000 0.242 40 A C 1.055 178.647 177.584 0.013 0.000 1.077 40 A CA 0.034 52.072 52.037 0.001 0.000 0.781 40 A CB 0.325 19.317 19.000 -0.014 0.000 1.020 40 A HN 0.850 nan 8.150 nan 0.000 0.494 41 T N 0.565 115.130 114.554 0.019 0.000 2.908 41 T HA 0.396 4.632 4.350 -0.191 0.000 0.301 41 T C 1.380 176.092 174.700 0.020 0.000 1.019 41 T CA 1.789 63.909 62.100 0.033 0.000 1.152 41 T CB -0.339 68.552 68.868 0.038 0.000 0.966 41 T HN 2.325 nan 8.240 nan 0.000 0.540 42 G N 3.115 111.932 108.800 0.027 0.000 2.141 42 G HA2 -0.284 3.562 3.960 -0.191 0.000 0.242 42 G HA3 -0.284 3.562 3.960 -0.191 0.000 0.242 42 G C 0.768 175.663 174.900 -0.008 0.000 0.982 42 G CA 0.855 45.962 45.100 0.012 0.000 0.662 42 G HN 1.258 nan 8.290 nan 0.000 0.527 43 T N -1.811 112.742 114.554 -0.001 0.000 3.129 43 T HA 0.440 4.676 4.350 -0.191 0.000 0.251 43 T C 1.986 176.689 174.700 0.004 0.000 1.117 43 T CA 1.213 63.301 62.100 -0.020 0.000 1.034 43 T CB 0.320 69.171 68.868 -0.028 0.000 0.968 43 T HN 2.200 nan 8.240 nan 0.000 0.526 44 G N 1.746 110.568 108.800 0.037 0.000 2.291 44 G HA2 -0.254 3.591 3.960 -0.191 0.000 0.271 44 G HA3 -0.254 3.591 3.960 -0.191 0.000 0.271 44 G C 0.468 175.451 174.900 0.139 0.000 1.099 44 G CA 0.226 45.384 45.100 0.097 0.000 0.919 44 G HN 0.528 nan 8.290 nan 0.000 0.496 45 K N -0.182 120.289 120.400 0.118 0.000 2.147 45 K HA -0.045 4.160 4.320 -0.191 0.000 0.205 45 K C 2.875 179.572 176.600 0.161 0.000 1.049 45 K CA 2.044 58.403 56.287 0.120 0.000 0.936 45 K CB -0.240 32.331 32.500 0.118 0.000 0.722 45 K HN 0.698 nan 8.250 nan 0.000 0.446 46 T N -1.114 113.567 114.554 0.211 0.000 2.821 46 T HA -0.143 4.092 4.350 -0.191 0.000 0.267 46 T C 1.755 176.590 174.700 0.225 0.000 1.046 46 T CA 0.713 62.971 62.100 0.263 0.000 1.139 46 T CB -0.417 68.624 68.868 0.288 0.000 0.871 46 T HN 0.114 nan 8.240 nan 0.000 0.454 47 F N 2.700 122.696 119.950 0.077 0.000 2.134 47 F HA -0.009 4.432 4.527 -0.142 0.000 0.299 47 F C 2.463 178.192 175.800 -0.119 0.000 1.097 47 F CA 1.470 59.408 58.000 -0.104 0.000 1.264 47 F CB -1.057 37.978 39.000 0.058 0.000 1.001 47 F HN 0.166 nan 8.300 nan 0.000 0.479 48 T N 0.012 114.515 114.554 -0.085 0.000 2.684 48 T HA -0.178 4.058 4.350 -0.191 0.000 0.267 48 T C 2.241 176.853 174.700 -0.147 0.000 1.036 48 T CA 1.803 63.802 62.100 -0.168 0.000 1.148 48 T CB -0.714 68.128 68.868 -0.043 0.000 0.863 48 T HN 0.121 nan 8.240 nan 0.000 0.436 49 V N 1.138 121.044 119.914 -0.014 0.000 2.358 49 V HA -0.162 3.844 4.120 -0.191 0.000 0.246 49 V C 2.708 178.838 176.094 0.059 0.000 1.047 49 V CA 1.635 63.972 62.300 0.063 0.000 1.035 49 V CB -0.849 31.102 31.823 0.213 0.000 0.658 49 V HN 0.422 nan 8.190 nan 0.000 0.452 50 S N 0.364 116.074 115.700 0.016 0.000 2.368 50 S HA -0.264 4.091 4.470 -0.191 0.000 0.226 50 S C 1.935 176.487 174.600 -0.080 0.000 1.044 50 S CA 1.920 60.115 58.200 -0.007 0.000 1.062 50 S CB -0.527 62.257 63.200 -0.693 0.000 0.931 50 S HN 0.636 nan 8.310 nan 0.000 0.440 51 N N 0.956 119.444 118.700 -0.354 0.000 2.166 51 N HA -0.091 4.534 4.740 -0.191 0.000 0.186 51 N C 1.753 177.182 175.510 -0.134 0.000 1.019 51 N CA 0.993 53.867 53.050 -0.294 0.000 0.856 51 N CB -0.452 37.761 38.487 -0.456 0.000 0.993 51 N HN 0.269 nan 8.380 nan 0.000 0.426 52 L N 1.739 122.893 121.223 -0.115 0.000 1.994 52 L HA -0.061 4.165 4.340 -0.191 0.000 0.208 52 L C 2.113 178.940 176.870 -0.071 0.000 1.071 52 L CA 1.303 56.100 54.840 -0.073 0.000 0.745 52 L CB -0.665 41.359 42.059 -0.059 0.000 0.892 52 L HN 0.062 nan 8.230 nan 0.000 0.431 53 I N -0.210 120.295 120.570 -0.108 0.000 2.151 53 I HA -0.383 3.672 4.170 -0.191 0.000 0.243 53 I C 2.664 178.630 176.117 -0.251 0.000 1.080 53 I CA 1.931 63.071 61.300 -0.266 0.000 1.339 53 I CB -0.550 37.173 38.000 -0.463 0.000 1.039 53 I HN 0.387 nan 8.210 nan 0.000 0.409 54 K N 0.836 121.184 120.400 -0.087 0.000 2.044 54 K HA -0.234 3.971 4.320 -0.191 0.000 0.210 54 K C 1.974 178.659 176.600 0.142 0.000 1.049 54 K CA 1.745 58.116 56.287 0.140 0.000 0.927 54 K CB -0.026 32.600 32.500 0.210 0.000 0.713 54 K HN 0.329 nan 8.250 nan 0.000 0.443 55 E N 0.434 120.670 120.200 0.060 0.000 2.072 55 E HA -0.136 4.099 4.350 -0.191 0.000 0.190 55 E C 2.161 178.797 176.600 0.060 0.000 0.982 55 E CA 1.370 57.801 56.400 0.052 0.000 0.803 55 E CB -0.361 29.347 29.700 0.013 0.000 0.755 55 E HN 0.383 nan 8.360 nan 0.000 0.453 56 V N 0.522 120.466 119.914 0.050 0.000 2.591 56 V HA -0.037 3.969 4.120 -0.191 0.000 0.249 56 V C 0.629 176.787 176.094 0.106 0.000 1.053 56 V CA 1.534 63.867 62.300 0.054 0.000 1.068 56 V CB -0.907 30.928 31.823 0.021 0.000 0.689 56 V HN 0.308 nan 8.190 nan 0.000 0.462 57 N N 0.360 119.175 118.700 0.192 0.000 2.738 57 N HA -0.198 4.427 4.740 -0.191 0.000 0.249 57 N C -0.383 175.263 175.510 0.227 0.000 1.047 57 N CA 1.143 54.375 53.050 0.304 0.000 0.707 57 N CB -1.247 37.340 38.487 0.167 0.000 0.937 57 N HN 0.851 nan 8.380 nan 0.000 0.545 58 K N -0.122 120.442 120.400 0.273 0.000 2.281 58 K HA 0.574 4.779 4.320 -0.191 0.000 0.242 58 K C -2.608 174.189 176.600 0.328 0.000 0.971 58 K CA -2.117 54.296 56.287 0.210 0.000 0.834 58 K CB 1.215 33.793 32.500 0.130 0.000 1.181 58 K HN -0.062 nan 8.250 nan 0.000 0.435 59 P HA -0.063 nan 4.420 nan 0.000 0.265 59 P C -0.650 176.894 177.300 0.407 0.000 1.193 59 P CA 0.162 63.486 63.100 0.373 0.000 0.765 59 P CB 0.566 32.475 31.700 0.348 0.000 0.823 60 T N 2.812 117.584 114.554 0.365 0.000 2.886 60 T HA 0.569 4.804 4.350 -0.191 0.000 0.292 60 T C -1.410 173.365 174.700 0.126 0.000 1.012 60 T CA -0.806 61.379 62.100 0.141 0.000 0.982 60 T CB 0.577 69.421 68.868 -0.041 0.000 1.018 60 T HN 0.126 nan 8.240 nan 0.000 0.451 61 L N 5.497 126.685 121.223 -0.059 0.000 2.305 61 L HA 0.737 4.963 4.340 -0.191 0.000 0.284 61 L C -1.094 175.740 176.870 -0.060 0.000 1.013 61 L CA -0.488 54.320 54.840 -0.055 0.000 0.819 61 L CB 1.419 43.344 42.059 -0.222 0.000 1.227 61 L HN 0.582 nan 8.230 nan 0.000 0.417 62 V N 6.994 126.878 119.914 -0.050 0.000 2.328 62 V HA 0.427 4.433 4.120 -0.191 0.000 0.278 62 V C 0.185 176.281 176.094 0.004 0.000 1.021 62 V CA -0.408 61.858 62.300 -0.056 0.000 0.838 62 V CB 1.125 32.850 31.823 -0.163 0.000 0.999 62 V HN 0.585 nan 8.190 nan 0.000 0.447 63 I N 4.412 125.004 120.570 0.037 0.000 2.331 63 I HA 0.745 4.801 4.170 -0.191 0.000 0.292 63 I C 0.453 176.617 176.117 0.079 0.000 0.998 63 I CA -0.162 61.171 61.300 0.055 0.000 1.267 63 I CB 1.478 39.517 38.000 0.065 0.000 1.386 63 I HN 0.646 nan 8.210 nan 0.000 0.476 64 A N 3.504 126.361 122.820 0.062 0.000 2.380 64 A HA 0.545 4.750 4.320 -0.191 0.000 0.315 64 A C 0.089 177.704 177.584 0.052 0.000 1.101 64 A CA -0.633 51.440 52.037 0.060 0.000 0.771 64 A CB 0.651 19.674 19.000 0.039 0.000 1.287 64 A HN 0.925 nan 8.150 nan 0.000 0.436 65 H N -0.086 119.009 119.070 0.042 0.000 2.548 65 H HA 0.279 4.721 4.556 -0.191 0.000 0.265 65 H C 0.038 175.382 175.328 0.026 0.000 0.969 65 H CA 0.684 56.745 56.048 0.021 0.000 1.155 65 H CB -0.144 29.619 29.762 0.002 0.000 1.394 65 H HN 0.651 nan 8.280 nan 0.000 0.570 66 N N -1.235 117.366 118.700 -0.164 0.000 2.591 66 N HA 0.182 4.808 4.740 -0.191 0.000 0.263 66 N C -0.372 175.116 175.510 -0.036 0.000 1.308 66 N CA -1.084 51.930 53.050 -0.060 0.000 0.837 66 N CB 1.749 40.203 38.487 -0.054 0.000 1.548 66 N HN -0.011 nan 8.380 nan 0.000 0.493 67 K N -0.575 119.835 120.400 0.016 0.000 2.305 67 K HA 0.036 4.241 4.320 -0.191 0.000 0.199 67 K C 0.820 177.487 176.600 0.112 0.000 1.047 67 K CA 1.034 57.362 56.287 0.067 0.000 0.976 67 K CB -0.083 32.456 32.500 0.065 0.000 0.765 67 K HN 0.609 nan 8.250 nan 0.000 0.474 68 T N 2.024 116.617 114.554 0.066 0.000 2.652 68 T HA -0.159 4.076 4.350 -0.191 0.000 0.267 68 T C 1.684 176.425 174.700 0.068 0.000 1.039 68 T CA 1.201 63.340 62.100 0.064 0.000 1.153 68 T CB -0.168 68.725 68.868 0.043 0.000 0.863 68 T HN 0.106 nan 8.240 nan 0.000 0.428 69 L N 1.240 122.479 121.223 0.026 0.000 2.093 69 L HA 0.196 4.421 4.340 -0.191 0.000 0.208 69 L C 2.567 179.505 176.870 0.113 0.000 1.085 69 L CA 1.690 56.551 54.840 0.036 0.000 0.755 69 L CB -1.027 40.991 42.059 -0.068 0.000 0.904 69 L HN 0.210 nan 8.230 nan 0.000 0.435 70 A N -0.319 122.579 122.820 0.129 0.000 1.908 70 A HA -0.104 4.102 4.320 -0.191 0.000 0.218 70 A C 2.351 180.185 177.584 0.416 0.000 1.181 70 A CA 1.644 53.831 52.037 0.250 0.000 0.627 70 A CB -1.638 17.471 19.000 0.182 0.000 0.818 70 A HN 0.521 nan 8.150 nan 0.000 0.445 71 G N -1.230 107.768 108.800 0.329 0.000 2.418 71 G HA2 -0.268 3.578 3.960 -0.191 0.000 0.217 71 G HA3 -0.268 3.578 3.960 -0.191 0.000 0.217 71 G C 1.640 176.640 174.900 0.167 0.000 1.158 71 G CA 1.069 46.253 45.100 0.139 0.000 0.771 71 G HN 0.609 nan 8.290 nan 0.000 0.545 72 Q N -0.479 119.413 119.800 0.152 0.000 2.084 72 Q HA 0.014 4.239 4.340 -0.191 0.000 0.202 72 Q C 2.667 178.773 176.000 0.177 0.000 0.978 72 Q CA 0.883 56.761 55.803 0.124 0.000 0.844 72 Q CB -0.176 28.624 28.738 0.103 0.000 0.898 72 Q HN 0.511 nan 8.270 nan 0.000 0.426 73 L N -0.620 120.766 121.223 0.271 0.000 2.046 73 L HA -0.211 4.014 4.340 -0.191 0.000 0.208 73 L C 2.378 179.571 176.870 0.538 0.000 1.077 73 L CA 1.303 56.405 54.840 0.437 0.000 0.747 73 L CB -0.630 41.695 42.059 0.442 0.000 0.896 73 L HN 0.336 nan 8.230 nan 0.000 0.432 74 Y N 0.786 121.255 120.300 0.281 0.000 2.145 74 Y HA -0.272 4.165 4.550 -0.189 0.000 0.286 74 Y C 2.778 178.772 175.900 0.156 0.000 1.145 74 Y CA 1.663 59.902 58.100 0.232 0.000 1.148 74 Y CB -0.413 38.113 38.460 0.110 0.000 0.981 74 Y HN 0.066 nan 8.280 nan 0.000 0.507 75 S N 0.134 115.802 115.700 -0.053 0.000 2.374 75 S HA -0.269 4.086 4.470 -0.191 0.000 0.227 75 S C 1.923 176.411 174.600 -0.187 0.000 1.037 75 S CA 1.775 59.864 58.200 -0.184 0.000 1.024 75 S CB -0.393 62.757 63.200 -0.083 0.000 0.861 75 S HN 0.607 nan 8.310 nan 0.000 0.456 76 E N -0.428 119.700 120.200 -0.119 0.000 2.112 76 E HA -0.001 4.235 4.350 -0.191 0.000 0.190 76 E C 1.517 177.853 176.600 -0.442 0.000 0.979 76 E CA 0.583 56.771 56.400 -0.354 0.000 0.814 76 E CB -0.043 29.475 29.700 -0.304 0.000 0.762 76 E HN 0.515 nan 8.360 nan 0.000 0.460 77 F N 1.149 121.098 119.950 -0.001 0.000 2.259 77 F HA -0.039 4.383 4.527 -0.175 0.000 0.298 77 F C 2.209 178.129 175.800 0.200 0.000 1.088 77 F CA 0.863 59.026 58.000 0.271 0.000 1.358 77 F CB 0.113 39.328 39.000 0.359 0.000 1.040 77 F HN -0.139 nan 8.300 nan 0.000 0.505 78 K N 0.265 120.730 120.400 0.108 0.000 2.097 78 K HA -0.185 4.021 4.320 -0.191 0.000 0.206 78 K C 1.831 178.416 176.600 -0.024 0.000 1.049 78 K CA 1.634 57.917 56.287 -0.005 0.000 0.933 78 K CB -0.234 32.115 32.500 -0.251 0.000 0.717 78 K HN 0.368 nan 8.250 nan 0.000 0.442 79 E N -0.069 120.041 120.200 -0.151 0.000 2.072 79 E HA -0.128 4.108 4.350 -0.191 0.000 0.190 79 E C 1.865 178.359 176.600 -0.176 0.000 0.982 79 E CA 0.888 57.161 56.400 -0.213 0.000 0.803 79 E CB -0.082 29.394 29.700 -0.373 0.000 0.755 79 E HN 0.159 nan 8.360 nan 0.000 0.453 80 F N 0.018 119.826 119.950 -0.236 0.000 2.134 80 F HA -0.073 4.325 4.527 -0.214 0.000 0.299 80 F C 1.013 176.410 175.800 -0.673 0.000 1.097 80 F CA 0.948 58.634 58.000 -0.523 0.000 1.264 80 F CB -0.132 38.439 39.000 -0.714 0.000 1.001 80 F HN -0.097 nan 8.300 nan 0.000 0.479 81 F N 0.374 120.489 119.950 0.275 0.000 2.523 81 F HA 0.334 4.751 4.527 -0.184 0.000 0.322 81 F C -1.752 174.156 175.800 0.180 0.000 1.361 81 F CA -1.834 56.314 58.000 0.248 0.000 1.151 81 F CB 0.313 39.507 39.000 0.323 0.000 1.391 81 F HN -0.225 nan 8.300 nan 0.000 0.566 82 P HA -0.062 nan 4.420 nan 0.000 0.230 82 P C 0.526 177.919 177.300 0.155 0.000 1.158 82 P CA 1.168 64.353 63.100 0.141 0.000 0.769 82 P CB 0.442 32.185 31.700 0.071 0.000 0.807 83 N N -0.515 118.302 118.700 0.194 0.000 2.205 83 N HA 0.090 4.716 4.740 -0.191 0.000 0.201 83 N C 0.165 175.778 175.510 0.172 0.000 1.128 83 N CA 0.081 53.227 53.050 0.159 0.000 0.867 83 N CB 0.199 38.768 38.487 0.138 0.000 0.996 83 N HN 0.292 nan 8.380 nan 0.000 0.503 84 N N -0.340 118.508 118.700 0.247 0.000 2.525 84 N HA 0.564 5.190 4.740 -0.191 0.000 0.288 84 N C -0.777 174.864 175.510 0.220 0.000 1.242 84 N CA -0.712 52.471 53.050 0.223 0.000 0.905 84 N CB 1.354 40.048 38.487 0.345 0.000 1.258 84 N HN -0.120 nan 8.380 nan 0.000 0.551 85 A N 0.783 123.710 122.820 0.179 0.000 2.478 85 A HA 0.398 4.604 4.320 -0.191 0.000 0.327 85 A C -0.624 177.084 177.584 0.207 0.000 1.431 85 A CA -0.479 51.657 52.037 0.164 0.000 1.014 85 A CB -0.492 18.567 19.000 0.098 0.000 1.143 85 A HN 0.398 nan 8.150 nan 0.000 0.532 86 V N 4.052 124.117 119.914 0.251 0.000 2.432 86 V HA 0.341 4.347 4.120 -0.191 0.000 0.275 86 V C -0.049 176.277 176.094 0.385 0.000 1.043 86 V CA -0.267 62.212 62.300 0.299 0.000 0.925 86 V CB 0.940 32.955 31.823 0.319 0.000 0.985 86 V HN 0.875 nan 8.190 nan 0.000 0.466 87 E N 3.154 123.576 120.200 0.371 0.000 2.359 87 E HA 0.487 4.722 4.350 -0.191 0.000 0.266 87 E C -1.623 175.139 176.600 0.271 0.000 0.920 87 E CA -0.787 55.806 56.400 0.322 0.000 0.788 87 E CB 3.022 32.811 29.700 0.148 0.000 1.279 87 E HN 0.551 nan 8.360 nan 0.000 0.438 88 Y N 0.703 120.921 120.300 -0.137 0.000 2.346 88 Y HA 0.489 4.924 4.550 -0.191 0.000 0.332 88 Y C -1.783 174.048 175.900 -0.114 0.000 0.985 88 Y CA -1.298 56.601 58.100 -0.336 0.000 1.112 88 Y CB 1.042 38.930 38.460 -0.953 0.000 1.170 88 Y HN 0.482 nan 8.280 nan 0.000 0.447 89 F N 6.786 126.395 119.950 -0.567 0.000 2.610 89 F HA 0.710 5.121 4.527 -0.192 0.000 0.355 89 F C -1.768 173.690 175.800 -0.570 0.000 1.140 89 F CA -0.617 57.098 58.000 -0.475 0.000 1.037 89 F CB 0.634 39.438 39.000 -0.327 0.000 1.287 89 F HN 0.316 nan 8.300 nan 0.000 0.457 90 V N 2.804 122.239 119.914 -0.798 0.000 3.130 90 V HA 0.427 4.432 4.120 -0.191 0.000 0.310 90 V C -0.289 175.422 176.094 -0.639 0.000 1.158 90 V CA -1.078 60.847 62.300 -0.624 0.000 1.029 90 V CB 2.348 33.793 31.823 -0.629 0.000 1.057 90 V HN 0.575 nan 8.190 nan 0.000 0.436 91 S N 1.283 116.695 115.700 -0.480 0.000 2.546 91 S HA 0.019 4.375 4.470 -0.191 0.000 0.290 91 S C 0.687 175.055 174.600 -0.387 0.000 1.290 91 S CA 0.043 57.937 58.200 -0.509 0.000 1.069 91 S CB 0.035 63.036 63.200 -0.330 0.000 0.846 91 S HN 0.799 nan 8.310 nan 0.000 0.495 92 Y N 3.881 123.851 120.300 -0.550 0.000 2.578 92 Y HA 0.292 4.727 4.550 -0.191 0.000 0.297 92 Y C -0.263 175.398 175.900 -0.399 0.000 1.176 92 Y CA -1.378 56.453 58.100 -0.449 0.000 1.315 92 Y CB -1.945 36.263 38.460 -0.421 0.000 1.031 92 Y HN 0.563 nan 8.280 nan 0.000 0.524 93 Y N 2.087 122.447 120.300 0.099 0.000 2.436 93 Y HA 0.102 4.537 4.550 -0.191 0.000 0.336 93 Y C 1.291 177.174 175.900 -0.029 0.000 1.049 93 Y CA -0.422 57.668 58.100 -0.017 0.000 1.294 93 Y CB 0.667 39.085 38.460 -0.070 0.000 1.179 93 Y HN 0.075 nan 8.280 nan 0.000 0.520 94 D N 2.297 122.758 120.400 0.102 0.000 2.117 94 D HA -0.166 4.360 4.640 -0.191 0.000 0.197 94 D C -0.252 176.186 176.300 0.229 0.000 0.987 94 D CA 1.760 55.835 54.000 0.125 0.000 0.829 94 D CB 0.132 41.006 40.800 0.123 0.000 0.961 94 D HN 0.596 nan 8.370 nan 0.000 0.460 95 Y N -2.573 117.811 120.300 0.140 0.000 2.562 95 Y HA 0.531 4.966 4.550 -0.192 0.000 0.345 95 Y C -1.564 174.418 175.900 0.136 0.000 1.045 95 Y CA -1.655 56.510 58.100 0.109 0.000 1.028 95 Y CB 0.979 39.466 38.460 0.045 0.000 1.297 95 Y HN -0.199 nan 8.280 nan 0.000 0.463 96 Y N 2.437 122.737 120.300 0.000 0.000 2.331 96 Y HA 0.506 4.941 4.550 -0.191 0.000 0.326 96 Y C -1.477 174.363 175.900 -0.101 0.000 1.020 96 Y CA -1.155 56.813 58.100 -0.220 0.000 1.136 96 Y CB 1.957 40.244 38.460 -0.289 0.000 1.157 96 Y HN 0.815 nan 8.280 nan 0.000 0.444 97 Q N 8.979 128.509 119.800 -0.450 0.000 2.372 97 Q HA 0.509 4.734 4.340 -0.191 0.000 0.259 97 Q C -2.822 172.650 176.000 -0.880 0.000 0.993 97 Q CA -2.640 52.843 55.803 -0.533 0.000 0.854 97 Q CB 1.565 30.155 28.738 -0.247 0.000 1.231 97 Q HN 0.382 nan 8.270 nan 0.000 0.462 98 P HA 0.043 nan 4.420 nan 0.000 0.274 98 P C -0.681 176.365 177.300 -0.424 0.000 1.231 98 P CA -0.319 62.308 63.100 -0.789 0.000 0.790 98 P CB 0.711 32.092 31.700 -0.532 0.000 0.951 99 E N 0.824 120.855 120.200 -0.282 0.000 2.558 99 E HA 0.293 4.528 4.350 -0.191 0.000 0.255 99 E C -0.793 175.654 176.600 -0.255 0.000 0.968 99 E CA 0.003 56.228 56.400 -0.291 0.000 0.939 99 E CB -0.064 29.581 29.700 -0.092 0.000 0.921 99 E HN 0.527 nan 8.360 nan 0.000 0.477 100 A N 4.503 127.092 122.820 -0.384 0.000 2.606 100 A HA 0.477 4.682 4.320 -0.191 0.000 0.293 100 A C -2.102 175.352 177.584 -0.217 0.000 1.082 100 A CA -0.657 51.236 52.037 -0.240 0.000 0.685 100 A CB 1.179 20.040 19.000 -0.232 0.000 1.284 100 A HN 0.622 nan 8.150 nan 0.000 0.408 101 Y N 0.882 121.036 120.300 -0.244 0.000 2.406 101 Y HA 0.590 5.026 4.550 -0.191 0.000 0.340 101 Y C -1.282 174.515 175.900 -0.172 0.000 0.975 101 Y CA -0.893 57.068 58.100 -0.232 0.000 1.056 101 Y CB 2.148 40.399 38.460 -0.349 0.000 1.210 101 Y HN 0.506 nan 8.280 nan 0.000 0.448 102 V N 9.875 129.307 119.914 -0.803 0.000 2.277 102 V HA 0.237 4.243 4.120 -0.191 0.000 0.269 102 V C -1.932 173.629 176.094 -0.889 0.000 1.036 102 V CA -1.574 60.344 62.300 -0.637 0.000 0.821 102 V CB 0.975 32.585 31.823 -0.355 0.000 1.052 102 V HN 0.760 nan 8.190 nan 0.000 0.462 103 P HA -0.228 nan 4.420 nan 0.000 0.216 103 P C 2.011 179.188 177.300 -0.205 0.000 1.154 103 P CA 2.268 65.117 63.100 -0.419 0.000 0.865 103 P CB 0.277 31.929 31.700 -0.080 0.000 0.789 104 Q N -0.409 119.291 119.800 -0.166 0.000 2.062 104 Q HA -0.256 3.969 4.340 -0.191 0.000 0.209 104 Q C 1.994 177.933 176.000 -0.102 0.000 0.996 104 Q CA 2.932 58.675 55.803 -0.099 0.000 0.859 104 Q CB -2.462 26.222 28.738 -0.089 0.000 0.920 104 Q HN 0.490 nan 8.270 nan 0.000 0.415 105 T N -3.755 110.704 114.554 -0.158 0.000 3.069 105 T HA 0.322 4.558 4.350 -0.191 0.000 0.252 105 T C 0.436 175.072 174.700 -0.107 0.000 1.053 105 T CA 0.778 62.809 62.100 -0.115 0.000 0.964 105 T CB 0.051 68.854 68.868 -0.109 0.000 1.005 105 T HN 0.617 nan 8.240 nan 0.000 0.532 106 D N 1.911 122.207 120.400 -0.173 0.000 2.686 106 D HA -0.164 4.362 4.640 -0.191 0.000 0.235 106 D C -0.107 176.224 176.300 0.052 0.000 1.160 106 D CA 1.381 55.365 54.000 -0.025 0.000 0.645 106 D CB -1.450 39.431 40.800 0.135 0.000 1.039 106 D HN 0.816 nan 8.370 nan 0.000 0.423 107 T N -1.582 112.880 114.554 -0.153 0.000 2.841 107 T HA 0.566 4.802 4.350 -0.191 0.000 0.283 107 T C -0.471 174.264 174.700 0.058 0.000 1.000 107 T CA -1.070 61.039 62.100 0.016 0.000 0.977 107 T CB 1.293 70.137 68.868 -0.039 0.000 0.979 107 T HN 0.161 nan 8.240 nan 0.000 0.446 108 F N 3.385 123.375 119.950 0.067 0.000 2.404 108 F HA 0.716 5.128 4.527 -0.191 0.000 0.339 108 F C -0.801 174.954 175.800 -0.075 0.000 1.105 108 F CA -1.860 56.129 58.000 -0.018 0.000 1.087 108 F CB 0.884 39.895 39.000 0.019 0.000 1.143 108 F HN 0.594 nan 8.300 nan 0.000 0.491 109 I N 6.048 126.151 120.570 -0.778 0.000 2.328 109 I HA 0.185 4.240 4.170 -0.191 0.000 0.287 109 I C -0.159 175.325 176.117 -1.056 0.000 1.012 109 I CA -0.556 60.335 61.300 -0.682 0.000 1.195 109 I CB 0.813 38.547 38.000 -0.443 0.000 1.350 109 I HN 0.461 nan 8.210 nan 0.000 0.464 110 E N 6.039 125.816 120.200 -0.705 0.000 2.392 110 E HA 0.019 4.255 4.350 -0.191 0.000 0.264 110 E C 0.083 176.500 176.600 -0.305 0.000 1.024 110 E CA -0.235 55.902 56.400 -0.439 0.000 0.903 110 E CB 0.822 30.464 29.700 -0.097 0.000 0.963 110 E HN 0.372 nan 8.360 nan 0.000 0.432 111 K N 2.714 122.988 120.400 -0.211 0.000 2.466 111 K HA -0.122 4.084 4.320 -0.191 0.000 0.278 111 K C -0.699 175.832 176.600 -0.114 0.000 1.048 111 K CA 0.539 56.727 56.287 -0.165 0.000 1.088 111 K CB 0.238 32.705 32.500 -0.054 0.000 0.884 111 K HN 0.309 nan 8.250 nan 0.000 0.478 112 D N 2.377 122.688 120.400 -0.147 0.000 2.629 112 D HA 0.644 5.169 4.640 -0.191 0.000 0.250 112 D C -1.802 174.437 176.300 -0.103 0.000 1.126 112 D CA -0.223 53.752 54.000 -0.042 0.000 0.852 112 D CB 1.735 42.558 40.800 0.038 0.000 1.335 112 D HN 0.633 nan 8.370 nan 0.000 0.518 113 A N 1.781 124.471 122.820 -0.217 0.000 2.586 113 A HA 0.586 4.791 4.320 -0.191 0.000 0.296 113 A C -1.300 175.990 177.584 -0.490 0.000 1.040 113 A CA -0.661 51.043 52.037 -0.554 0.000 0.701 113 A CB 0.834 19.576 19.000 -0.429 0.000 1.277 113 A HN 0.574 nan 8.150 nan 0.000 0.413 114 S N 0.883 116.176 115.700 -0.678 0.000 2.521 114 S HA 0.805 5.160 4.470 -0.191 0.000 0.295 114 S C -0.508 174.032 174.600 -0.100 0.000 1.098 114 S CA -0.601 57.442 58.200 -0.263 0.000 0.999 114 S CB 1.053 64.153 63.200 -0.167 0.000 1.034 114 S HN 0.715 nan 8.310 nan 0.000 0.483 115 I N 3.097 123.595 120.570 -0.120 0.000 2.428 115 I HA 0.253 4.308 4.170 -0.191 0.000 0.289 115 I C 0.595 176.601 176.117 -0.186 0.000 1.019 115 I CA -0.446 60.696 61.300 -0.263 0.000 1.351 115 I CB 0.680 38.351 38.000 -0.547 0.000 1.412 115 I HN 0.692 nan 8.210 nan 0.000 0.513 116 N N 4.849 123.459 118.700 -0.150 0.000 2.414 116 N HA 0.008 4.633 4.740 -0.191 0.000 0.256 116 N C 0.370 175.818 175.510 -0.104 0.000 1.029 116 N CA -0.001 53.002 53.050 -0.079 0.000 0.948 116 N CB 1.267 39.742 38.487 -0.021 0.000 1.102 116 N HN 0.651 nan 8.380 nan 0.000 0.496 117 D N 2.740 123.079 120.400 -0.101 0.000 2.117 117 D HA -0.183 4.343 4.640 -0.191 0.000 0.197 117 D C 1.501 177.759 176.300 -0.070 0.000 0.987 117 D CA 1.337 55.270 54.000 -0.112 0.000 0.829 117 D CB 0.305 41.032 40.800 -0.122 0.000 0.961 117 D HN 0.761 nan 8.370 nan 0.000 0.460 118 E N -0.190 119.984 120.200 -0.043 0.000 2.077 118 E HA -0.178 4.058 4.350 -0.191 0.000 0.193 118 E C 2.189 178.795 176.600 0.010 0.000 0.989 118 E CA 0.929 57.321 56.400 -0.014 0.000 0.800 118 E CB -0.109 29.588 29.700 -0.004 0.000 0.746 118 E HN 0.406 nan 8.360 nan 0.000 0.452 119 I N 1.184 121.761 120.570 0.011 0.000 2.226 119 I HA -0.254 3.801 4.170 -0.191 0.000 0.245 119 I C 2.356 178.480 176.117 0.011 0.000 1.100 119 I CA 1.467 62.776 61.300 0.015 0.000 1.374 119 I CB -0.370 37.630 38.000 -0.001 0.000 1.057 119 I HN 0.203 nan 8.210 nan 0.000 0.413 120 D N 1.302 121.737 120.400 0.058 0.000 2.104 120 D HA -0.252 4.274 4.640 -0.191 0.000 0.194 120 D C 2.184 178.603 176.300 0.198 0.000 0.994 120 D CA 1.428 55.532 54.000 0.173 0.000 0.830 120 D CB -0.099 40.773 40.800 0.120 0.000 0.959 120 D HN 0.041 nan 8.370 nan 0.000 0.452 121 K N 0.283 120.740 120.400 0.095 0.000 2.034 121 K HA -0.185 4.020 4.320 -0.191 0.000 0.214 121 K C 2.365 179.043 176.600 0.131 0.000 1.051 121 K CA 1.262 57.606 56.287 0.096 0.000 0.931 121 K CB -0.613 31.904 32.500 0.027 0.000 0.715 121 K HN 0.293 nan 8.250 nan 0.000 0.446 122 L N 0.314 121.589 121.223 0.086 0.000 2.131 122 L HA -0.165 4.061 4.340 -0.191 0.000 0.210 122 L C 2.755 179.668 176.870 0.071 0.000 1.092 122 L CA 1.176 56.065 54.840 0.082 0.000 0.759 122 L CB -0.311 41.790 42.059 0.070 0.000 0.903 122 L HN 0.196 nan 8.230 nan 0.000 0.435 123 R N -1.002 119.503 120.500 0.008 0.000 2.066 123 R HA -0.143 4.083 4.340 -0.191 0.000 0.232 123 R C 2.256 178.631 176.300 0.124 0.000 1.131 123 R CA 1.400 57.468 56.100 -0.052 0.000 0.955 123 R CB -0.394 29.673 30.300 -0.389 0.000 0.851 123 R HN 0.373 nan 8.270 nan 0.000 0.432 124 H N -0.821 118.379 119.070 0.216 0.000 2.421 124 H HA -0.046 4.395 4.556 -0.191 0.000 0.298 124 H C 2.263 177.676 175.328 0.142 0.000 1.087 124 H CA 1.734 57.913 56.048 0.217 0.000 1.330 124 H CB 0.047 29.867 29.762 0.097 0.000 1.388 124 H HN 0.086 nan 8.280 nan 0.000 0.526 125 S N -0.229 115.595 115.700 0.207 0.000 2.383 125 S HA -0.147 4.208 4.470 -0.191 0.000 0.227 125 S C 2.391 177.032 174.600 0.068 0.000 1.026 125 S CA 0.823 59.103 58.200 0.133 0.000 0.981 125 S CB -0.373 62.910 63.200 0.137 0.000 0.818 125 S HN 0.512 nan 8.310 nan 0.000 0.472 126 A N 1.002 123.860 122.820 0.062 0.000 1.865 126 A HA -0.116 4.090 4.320 -0.191 0.000 0.217 126 A C 2.512 179.995 177.584 -0.169 0.000 1.191 126 A CA 2.593 54.609 52.037 -0.034 0.000 0.623 126 A CB -1.722 17.293 19.000 0.024 0.000 0.826 126 A HN 0.772 nan 8.150 nan 0.000 0.444 127 T N -1.821 112.642 114.554 -0.152 0.000 2.857 127 T HA -0.129 4.106 4.350 -0.191 0.000 0.266 127 T C 2.094 176.832 174.700 0.062 0.000 1.048 127 T CA 1.887 63.863 62.100 -0.207 0.000 1.139 127 T CB -0.846 67.742 68.868 -0.467 0.000 0.874 127 T HN 0.690 nan 8.240 nan 0.000 0.455 128 S N 2.591 118.270 115.700 -0.035 0.000 2.368 128 S HA 0.099 4.454 4.470 -0.191 0.000 0.224 128 S C 2.513 176.924 174.600 -0.315 0.000 1.029 128 S CA 0.859 58.712 58.200 -0.580 0.000 0.988 128 S CB -1.078 61.677 63.200 -0.741 0.000 0.838 128 S HN 0.740 nan 8.310 nan 0.000 0.462 129 A N 2.157 124.889 122.820 -0.147 0.000 1.948 129 A HA 0.038 4.243 4.320 -0.191 0.000 0.220 129 A C 2.296 179.795 177.584 -0.141 0.000 1.177 129 A CA 1.598 53.582 52.037 -0.089 0.000 0.636 129 A CB -0.990 17.974 19.000 -0.060 0.000 0.815 129 A HN 0.571 nan 8.150 nan 0.000 0.449 130 L N -2.308 118.750 121.223 -0.276 0.000 2.265 130 L HA -0.109 4.116 4.340 -0.191 0.000 0.215 130 L C 1.793 178.364 176.870 -0.499 0.000 1.117 130 L CA 0.906 55.451 54.840 -0.491 0.000 0.782 130 L CB -0.301 41.298 42.059 -0.768 0.000 0.914 130 L HN 0.448 nan 8.230 nan 0.000 0.441 131 F N -1.121 118.829 119.950 -0.000 0.000 2.749 131 F HA 0.057 4.470 4.527 -0.190 0.000 0.300 131 F C 2.127 178.036 175.800 0.181 0.000 1.103 131 F CA 0.123 58.209 58.000 0.142 0.000 1.342 131 F CB 0.243 39.463 39.000 0.366 0.000 1.098 131 F HN 0.000 nan 8.300 nan 0.000 0.586 132 E N 0.319 120.652 120.200 0.222 0.000 2.290 132 E HA 0.120 4.355 4.350 -0.191 0.000 0.197 132 E C 0.451 177.114 176.600 0.105 0.000 0.948 132 E CA 0.140 56.667 56.400 0.212 0.000 0.895 132 E CB 0.507 30.331 29.700 0.207 0.000 0.865 132 E HN 0.343 nan 8.360 nan 0.000 0.486 133 R N -1.375 119.142 120.500 0.029 0.000 2.752 133 R HA 0.451 4.676 4.340 -0.191 0.000 0.271 133 R C 0.176 176.435 176.300 -0.068 0.000 1.026 133 R CA -0.816 55.276 56.100 -0.013 0.000 0.901 133 R CB 0.936 31.228 30.300 -0.012 0.000 1.243 133 R HN -0.262 nan 8.270 nan 0.000 0.463 134 R N 0.042 120.488 120.500 -0.091 0.000 2.223 134 R HA 0.007 4.233 4.340 -0.191 0.000 0.198 134 R C -0.366 175.818 176.300 -0.195 0.000 0.984 134 R CA 0.842 56.871 56.100 -0.118 0.000 1.018 134 R CB 0.221 30.457 30.300 -0.107 0.000 0.945 134 R HN 0.713 nan 8.270 nan 0.000 0.479 135 D N 1.138 121.368 120.400 -0.284 0.000 2.713 135 D HA 0.060 4.586 4.640 -0.191 0.000 0.229 135 D C -0.453 175.772 176.300 -0.125 0.000 1.136 135 D CA -0.079 53.569 54.000 -0.586 0.000 1.010 135 D CB 0.376 40.801 40.800 -0.625 0.000 1.084 135 D HN -0.231 nan 8.370 nan 0.000 0.495 136 V N 1.447 121.411 119.914 0.083 0.000 2.487 136 V HA 0.400 4.405 4.120 -0.191 0.000 0.298 136 V C 0.204 176.455 176.094 0.261 0.000 1.028 136 V CA -0.847 61.538 62.300 0.143 0.000 0.860 136 V CB 1.877 33.681 31.823 -0.032 0.000 0.991 136 V HN 0.269 nan 8.190 nan 0.000 0.427 137 I N 5.803 126.489 120.570 0.194 0.000 2.389 137 I HA 0.525 4.580 4.170 -0.191 0.000 0.288 137 I C -0.652 175.528 176.117 0.105 0.000 0.999 137 I CA -0.370 60.980 61.300 0.083 0.000 1.129 137 I CB 1.786 39.731 38.000 -0.092 0.000 1.288 137 I HN 0.409 nan 8.210 nan 0.000 0.444 138 I N 6.533 127.174 120.570 0.118 0.000 2.378 138 I HA 0.394 4.449 4.170 -0.191 0.000 0.291 138 I C -0.430 175.727 176.117 0.065 0.000 0.992 138 I CA -0.820 60.547 61.300 0.112 0.000 1.154 138 I CB 1.657 39.719 38.000 0.103 0.000 1.315 138 I HN 0.298 nan 8.210 nan 0.000 0.448 139 I N 5.335 125.967 120.570 0.104 0.000 2.331 139 I HA 0.659 4.714 4.170 -0.191 0.000 0.292 139 I C 0.339 176.463 176.117 0.011 0.000 0.998 139 I CA -0.328 61.026 61.300 0.089 0.000 1.267 139 I CB 0.935 39.087 38.000 0.253 0.000 1.386 139 I HN 0.612 nan 8.210 nan 0.000 0.476 140 A N 4.724 127.535 122.820 -0.015 0.000 2.498 140 A HA 0.785 4.990 4.320 -0.191 0.000 0.298 140 A C -0.003 177.550 177.584 -0.051 0.000 1.075 140 A CA -0.449 51.556 52.037 -0.053 0.000 0.714 140 A CB 1.659 20.676 19.000 0.029 0.000 1.299 140 A HN 0.743 nan 8.150 nan 0.000 0.407 141 S N -0.190 115.458 115.700 -0.088 0.000 2.646 141 S HA 0.388 4.743 4.470 -0.191 0.000 0.273 141 S C 1.223 175.822 174.600 -0.001 0.000 1.168 141 S CA 0.117 58.289 58.200 -0.047 0.000 1.013 141 S CB 0.343 63.489 63.200 -0.090 0.000 1.098 141 S HN 1.893 nan 8.310 nan 0.000 0.544 142 V N -1.143 118.780 119.914 0.015 0.000 3.330 142 V HA -0.042 3.963 4.120 -0.191 0.000 0.273 142 V C 2.148 178.332 176.094 0.150 0.000 1.179 142 V CA 1.675 64.006 62.300 0.051 0.000 1.174 142 V CB -1.716 30.154 31.823 0.079 0.000 0.794 142 V HN 0.869 nan 8.190 nan 0.000 0.527 143 S N 0.921 116.656 115.700 0.058 0.000 2.440 143 S HA -0.249 4.106 4.470 -0.191 0.000 0.240 143 S C 1.966 176.713 174.600 0.245 0.000 1.014 143 S CA 1.879 60.106 58.200 0.046 0.000 0.980 143 S CB -0.912 62.172 63.200 -0.195 0.000 0.775 143 S HN 1.069 nan 8.310 nan 0.000 0.499 144 C N 1.067 120.477 119.300 0.183 0.000 2.437 144 C HA 0.197 4.542 4.460 -0.191 0.000 0.283 144 C C 1.873 176.881 174.990 0.030 0.000 1.424 144 C CA 0.049 59.100 59.018 0.056 0.000 1.782 144 C CB -1.948 25.781 27.740 -0.018 0.000 1.833 144 C HN 0.751 nan 8.230 nan 0.000 0.532 145 I N -4.163 116.455 120.570 0.080 0.000 3.941 145 I HA 0.451 4.506 4.170 -0.191 0.000 0.335 145 I C 0.101 176.191 176.117 -0.045 0.000 1.402 145 I CA -0.565 60.736 61.300 0.001 0.000 1.112 145 I CB -0.498 37.448 38.000 -0.090 0.000 1.043 145 I HN 0.136 nan 8.210 nan 0.000 0.395 146 Y N 1.600 121.898 120.300 -0.003 0.000 2.519 146 Y HA 0.702 5.137 4.550 -0.191 0.000 0.324 146 Y C 1.372 177.276 175.900 0.006 0.000 1.214 146 Y CA -0.485 57.615 58.100 -0.001 0.000 1.260 146 Y CB 1.030 39.467 38.460 -0.038 0.000 1.311 146 Y HN 0.042 nan 8.280 nan 0.000 0.505 147 G N 1.449 110.365 108.800 0.193 0.000 2.398 147 G HA2 0.393 4.239 3.960 -0.191 0.000 0.246 147 G HA3 0.393 4.239 3.960 -0.191 0.000 0.246 147 G C -1.274 173.693 174.900 0.113 0.000 1.289 147 G CA 0.032 45.213 45.100 0.136 0.000 0.869 147 G HN 0.295 nan 8.290 nan 0.000 0.543 148 L N 1.110 122.420 121.223 0.146 0.000 2.376 148 L HA 0.721 4.946 4.340 -0.191 0.000 0.258 148 L C 0.910 177.938 176.870 0.263 0.000 1.013 148 L CA -0.479 54.436 54.840 0.125 0.000 0.822 148 L CB 1.723 43.776 42.059 -0.010 0.000 1.388 148 L HN 0.726 nan 8.230 nan 0.000 0.413 149 G N 0.113 109.069 108.800 0.260 0.000 2.664 149 G HA2 0.223 4.068 3.960 -0.191 0.000 0.242 149 G HA3 0.223 4.068 3.960 -0.191 0.000 0.242 149 G C -0.138 174.852 174.900 0.150 0.000 1.225 149 G CA -0.039 45.212 45.100 0.251 0.000 0.849 149 G HN 0.661 nan 8.290 nan 0.000 0.581 150 S N 1.276 116.889 115.700 -0.145 0.000 2.596 150 S HA 0.107 4.463 4.470 -0.191 0.000 0.298 150 S C -0.405 173.926 174.600 -0.447 0.000 1.255 150 S CA -0.662 57.089 58.200 -0.748 0.000 1.083 150 S CB 0.892 63.666 63.200 -0.710 0.000 0.837 150 S HN 0.411 nan 8.310 nan 0.000 0.499 151 P HA -0.047 nan 4.420 nan 0.000 0.219 151 P C 0.961 178.083 177.300 -0.297 0.000 1.150 151 P CA 0.934 63.604 63.100 -0.718 0.000 0.814 151 P CB 0.138 31.317 31.700 -0.868 0.000 0.787 152 E N 0.362 120.405 120.200 -0.261 0.000 2.058 152 E HA -0.193 4.042 4.350 -0.191 0.000 0.194 152 E C 2.574 179.082 176.600 -0.155 0.000 0.997 152 E CA 2.242 58.544 56.400 -0.163 0.000 0.801 152 E CB -1.240 28.387 29.700 -0.121 0.000 0.746 152 E HN 0.395 nan 8.360 nan 0.000 0.450 153 E N 0.304 120.420 120.200 -0.139 0.000 2.051 153 E HA -0.243 3.993 4.350 -0.191 0.000 0.192 153 E C 1.920 178.502 176.600 -0.030 0.000 0.991 153 E CA 1.547 57.906 56.400 -0.068 0.000 0.799 153 E CB -1.267 nan 29.700 nan 0.000 0.748 153 E HN 0.459 nan 8.360 nan 0.000 0.449 154 Y N 1.333 121.558 120.300 -0.126 0.000 2.053 154 Y HA -0.219 4.217 4.550 -0.191 0.000 0.277 154 Y C 3.029 178.814 175.900 -0.191 0.000 1.159 154 Y CA 3.917 61.987 58.100 -0.050 0.000 1.125 154 Y CB -0.845 37.674 38.460 0.098 0.000 0.969 154 Y HN 0.350 nan 8.280 nan 0.000 0.492 155 R N 0.461 120.721 120.500 -0.401 0.000 2.113 155 R HA -0.250 3.975 4.340 -0.191 0.000 0.244 155 R C 2.131 178.211 176.300 -0.367 0.000 1.142 155 R CA 2.170 57.885 56.100 -0.642 0.000 0.953 155 R CB -1.710 28.136 30.300 -0.757 0.000 0.860 155 R HN 0.602 nan 8.270 nan 0.000 0.438 156 E N -0.735 119.321 120.200 -0.240 0.000 2.204 156 E HA 0.025 4.261 4.350 -0.191 0.000 0.194 156 E C 2.282 178.786 176.600 -0.161 0.000 0.989 156 E CA 1.892 58.193 56.400 -0.165 0.000 0.824 156 E CB -0.042 29.594 29.700 -0.107 0.000 0.756 156 E HN 0.604 nan 8.360 nan 0.000 0.477 157 M N -0.189 119.308 119.600 -0.172 0.000 2.561 157 M HA 0.208 4.573 4.480 -0.191 0.000 0.238 157 M C 1.008 177.184 176.300 -0.206 0.000 1.131 157 M CA 0.307 55.523 55.300 -0.141 0.000 1.046 157 M CB -0.801 31.753 32.600 -0.075 0.000 1.532 157 M HN -0.112 nan 8.290 nan 0.000 0.497 158 V N 2.087 121.798 119.914 -0.337 0.000 2.617 158 V HA 0.053 4.058 4.120 -0.191 0.000 0.304 158 V C 0.535 176.453 176.094 -0.293 0.000 1.040 158 V CA -0.095 61.933 62.300 -0.454 0.000 1.149 158 V CB 0.497 31.876 31.823 -0.741 0.000 0.914 158 V HN 0.382 nan 8.190 nan 0.000 0.487 159 V N 5.667 125.427 119.914 -0.258 0.000 2.372 159 V HA 0.187 4.192 4.120 -0.191 0.000 0.261 159 V C 0.520 176.494 176.094 -0.199 0.000 1.055 159 V CA 0.083 62.271 62.300 -0.187 0.000 0.930 159 V CB 1.002 32.729 31.823 -0.161 0.000 1.031 159 V HN 0.923 nan 8.190 nan 0.000 0.479 160 S N 6.713 122.328 115.700 -0.142 0.000 2.480 160 S HA 0.717 5.072 4.470 -0.191 0.000 0.286 160 S C -0.357 174.198 174.600 -0.076 0.000 1.180 160 S CA -0.442 57.701 58.200 -0.096 0.000 1.075 160 S CB 0.716 63.937 63.200 0.035 0.000 0.996 160 S HN 0.509 nan 8.310 nan 0.000 0.487 161 L N 4.292 125.441 121.223 -0.124 0.000 2.386 161 L HA 0.720 4.945 4.340 -0.191 0.000 0.271 161 L C -0.177 176.657 176.870 -0.060 0.000 0.993 161 L CA -0.888 53.892 54.840 -0.101 0.000 0.819 161 L CB 1.867 43.838 42.059 -0.147 0.000 1.294 161 L HN 0.639 nan 8.230 nan 0.000 0.414 162 R N -0.386 120.098 120.500 -0.026 0.000 2.698 162 R HA 0.622 4.847 4.340 -0.191 0.000 0.275 162 R C -0.702 175.572 176.300 -0.044 0.000 1.001 162 R CA -0.827 55.277 56.100 0.008 0.000 0.896 162 R CB 1.434 31.773 30.300 0.066 0.000 1.218 162 R HN 0.577 nan 8.270 nan 0.000 0.462 163 T N -1.075 113.454 114.554 -0.042 0.000 2.856 163 T HA 0.115 4.350 4.350 -0.191 0.000 0.306 163 T C 0.315 174.989 174.700 -0.044 0.000 1.062 163 T CA 0.099 62.162 62.100 -0.062 0.000 1.083 163 T CB 0.408 69.246 68.868 -0.051 0.000 0.984 163 T HN 0.881 nan 8.240 nan 0.000 0.542 164 E N -1.698 118.474 120.200 -0.047 0.000 3.680 164 E HA -0.271 3.964 4.350 -0.191 0.000 0.309 164 E C 0.297 176.885 176.600 -0.020 0.000 0.793 164 E CA 0.788 57.174 56.400 -0.023 0.000 1.083 164 E CB -1.535 28.157 29.700 -0.013 0.000 1.548 164 E HN 0.858 nan 8.360 nan 0.000 0.456 165 M N 1.135 120.713 119.600 -0.036 0.000 2.239 165 M HA 0.251 4.617 4.480 -0.191 0.000 0.348 165 M C 0.386 176.677 176.300 -0.014 0.000 1.239 165 M CA 0.728 56.012 55.300 -0.027 0.000 1.114 165 M CB 0.446 33.023 32.600 -0.039 0.000 1.641 165 M HN 0.123 nan 8.290 nan 0.000 0.453 166 E N 5.346 125.548 120.200 0.004 0.000 2.301 166 E HA 0.690 4.925 4.350 -0.191 0.000 0.275 166 E C -0.685 175.936 176.600 0.035 0.000 1.030 166 E CA -0.416 55.998 56.400 0.023 0.000 0.852 166 E CB 1.257 30.966 29.700 0.015 0.000 1.060 166 E HN 0.893 nan 8.360 nan 0.000 0.401 167 I N 0.114 120.727 120.570 0.073 0.000 2.573 167 I HA 0.083 4.138 4.170 -0.191 0.000 0.298 167 I C -1.182 175.029 176.117 0.156 0.000 1.836 167 I CA -0.446 60.912 61.300 0.096 0.000 1.009 167 I CB 1.292 39.358 38.000 0.110 0.000 1.590 167 I HN 0.724 nan 8.210 nan 0.000 0.532 168 E N 6.417 126.643 120.200 0.044 0.000 2.313 168 E HA 0.285 4.520 4.350 -0.191 0.000 0.272 168 E C 0.406 176.867 176.600 -0.232 0.000 1.038 168 E CA -0.684 55.678 56.400 -0.063 0.000 0.863 168 E CB 1.545 31.194 29.700 -0.085 0.000 1.060 168 E HN 0.508 nan 8.360 nan 0.000 0.402 169 R N 2.194 122.346 120.500 -0.579 0.000 2.080 169 R HA -0.192 4.033 4.340 -0.191 0.000 0.236 169 R C 1.245 177.269 176.300 -0.459 0.000 1.137 169 R CA 1.800 57.294 56.100 -1.010 0.000 0.943 169 R CB -0.042 29.627 30.300 -1.052 0.000 0.846 169 R HN 0.445 nan 8.270 nan 0.000 0.431 170 N N 0.666 119.192 118.700 -0.291 0.000 2.309 170 N HA -0.160 4.466 4.740 -0.191 0.000 0.182 170 N C 1.443 176.874 175.510 -0.133 0.000 1.018 170 N CA 1.025 53.971 53.050 -0.173 0.000 0.876 170 N CB -0.145 38.270 38.487 -0.121 0.000 0.972 170 N HN 0.429 nan 8.380 nan 0.000 0.434 171 E N 0.728 120.853 120.200 -0.125 0.000 2.072 171 E HA -0.131 4.104 4.350 -0.191 0.000 0.191 171 E C 1.891 178.433 176.600 -0.096 0.000 0.985 171 E CA 0.509 56.857 56.400 -0.086 0.000 0.801 171 E CB -0.084 29.580 29.700 -0.060 0.000 0.750 171 E HN 0.254 nan 8.360 nan 0.000 0.452 172 L N 1.066 122.225 121.223 -0.108 0.000 2.012 172 L HA -0.224 4.002 4.340 -0.191 0.000 0.210 172 L C 2.460 179.188 176.870 -0.237 0.000 1.073 172 L CA 1.319 56.087 54.840 -0.119 0.000 0.748 172 L CB -0.425 41.618 42.059 -0.027 0.000 0.891 172 L HN 0.331 nan 8.230 nan 0.000 0.431 173 L N -0.581 120.473 121.223 -0.281 0.000 1.971 173 L HA -0.312 3.913 4.340 -0.191 0.000 0.215 173 L C 2.794 179.528 176.870 -0.226 0.000 1.072 173 L CA 1.645 56.250 54.840 -0.391 0.000 0.758 173 L CB -0.809 41.145 42.059 -0.175 0.000 0.889 173 L HN 0.295 nan 8.230 nan 0.000 0.433 174 R N 0.355 120.793 120.500 -0.104 0.000 2.113 174 R HA -0.216 4.010 4.340 -0.191 0.000 0.244 174 R C 2.394 178.669 176.300 -0.042 0.000 1.142 174 R CA 1.872 57.948 56.100 -0.041 0.000 0.953 174 R CB -0.267 30.013 30.300 -0.034 0.000 0.860 174 R HN 0.397 nan 8.270 nan 0.000 0.438 175 K N 0.389 120.745 120.400 -0.075 0.000 2.063 175 K HA -0.150 4.055 4.320 -0.191 0.000 0.208 175 K C 2.172 178.745 176.600 -0.046 0.000 1.048 175 K CA 1.265 57.516 56.287 -0.060 0.000 0.928 175 K CB -0.210 32.242 32.500 -0.080 0.000 0.713 175 K HN 0.187 nan 8.250 nan 0.000 0.442 176 L N 0.704 121.852 121.223 -0.124 0.000 2.046 176 L HA -0.185 4.040 4.340 -0.191 0.000 0.208 176 L C 2.410 179.390 176.870 0.184 0.000 1.077 176 L CA 0.894 55.691 54.840 -0.071 0.000 0.747 176 L CB -0.502 41.284 42.059 -0.455 0.000 0.896 176 L HN -0.008 nan 8.230 nan 0.000 0.432 177 V N 0.236 120.246 119.914 0.159 0.000 2.332 177 V HA -0.340 3.665 4.120 -0.191 0.000 0.248 177 V C 2.162 178.339 176.094 0.139 0.000 1.055 177 V CA 2.236 64.670 62.300 0.224 0.000 1.038 177 V CB -0.585 31.355 31.823 0.194 0.000 0.651 177 V HN 0.545 nan 8.190 nan 0.000 0.450 178 D N 0.426 120.880 120.400 0.089 0.000 2.263 178 D HA -0.152 4.373 4.640 -0.191 0.000 0.208 178 D C 1.486 177.830 176.300 0.074 0.000 0.971 178 D CA 1.270 55.309 54.000 0.064 0.000 0.867 178 D CB -0.163 40.657 40.800 0.033 0.000 0.929 178 D HN 0.683 nan 8.370 nan 0.000 0.492 179 I N -4.075 116.560 120.570 0.108 0.000 3.914 179 I HA 0.303 4.358 4.170 -0.191 0.000 0.333 179 I C -0.181 175.990 176.117 0.090 0.000 1.449 179 I CA -0.360 61.007 61.300 0.112 0.000 1.135 179 I CB 0.480 38.551 38.000 0.118 0.000 1.073 179 I HN -0.210 nan 8.210 nan 0.000 0.401 180 Q N -0.924 118.925 119.800 0.082 0.000 2.459 180 Q HA -0.183 4.043 4.340 -0.191 0.000 0.244 180 Q C -0.908 175.030 176.000 -0.102 0.000 0.737 180 Q CA 0.800 56.593 55.803 -0.016 0.000 1.243 180 Q CB -2.590 26.102 28.738 -0.078 0.000 1.302 180 Q HN 0.729 nan 8.270 nan 0.000 0.740 181 Y N 0.217 120.591 120.300 0.123 0.000 2.301 181 Y HA 0.527 4.962 4.550 -0.191 0.000 0.328 181 Y C 0.930 176.966 175.900 0.227 0.000 1.242 181 Y CA 0.303 58.526 58.100 0.205 0.000 1.323 181 Y CB 1.006 39.679 38.460 0.354 0.000 1.266 181 Y HN 0.156 nan 8.280 nan 0.000 0.527 182 A N 2.792 125.739 122.820 0.211 0.000 2.343 182 A HA 0.658 4.863 4.320 -0.191 0.000 0.316 182 A C -0.692 176.607 177.584 -0.475 0.000 1.104 182 A CA -1.011 50.998 52.037 -0.048 0.000 0.768 182 A CB 0.870 19.823 19.000 -0.078 0.000 1.213 182 A HN 0.751 nan 8.150 nan 0.000 0.456 183 R N 2.176 122.221 120.500 -0.759 0.000 2.484 183 R HA 0.173 4.399 4.340 -0.191 0.000 0.293 183 R C -0.763 175.295 176.300 -0.404 0.000 1.023 183 R CA 0.746 56.255 56.100 -0.985 0.000 1.037 183 R CB -0.061 29.907 30.300 -0.553 0.000 0.951 183 R HN 0.645 nan 8.270 nan 0.000 0.418 184 N N 3.440 121.972 118.700 -0.280 0.000 2.701 184 N HA 0.089 4.714 4.740 -0.191 0.000 0.258 184 N C -0.999 174.520 175.510 0.015 0.000 1.262 184 N CA -0.341 52.660 53.050 -0.080 0.000 0.780 184 N CB 0.983 39.455 38.487 -0.026 0.000 1.380 184 N HN 0.548 nan 8.380 nan 0.000 0.548 185 D N 1.776 122.163 120.400 -0.021 0.000 2.264 185 D HA -0.022 4.504 4.640 -0.191 0.000 0.208 185 D C 1.967 178.282 176.300 0.025 0.000 0.966 185 D CA 1.030 55.027 54.000 -0.005 0.000 0.864 185 D CB 0.448 41.235 40.800 -0.022 0.000 0.933 185 D HN 0.648 nan 8.370 nan 0.000 0.499 186 I N -0.014 120.576 120.570 0.034 0.000 2.512 186 I HA 0.014 4.069 4.170 -0.191 0.000 0.247 186 I C 0.609 176.769 176.117 0.071 0.000 1.094 186 I CA 0.859 62.181 61.300 0.038 0.000 1.427 186 I CB -0.134 37.875 38.000 0.016 0.000 1.149 186 I HN -0.214 nan 8.210 nan 0.000 0.438 187 D N 0.902 121.347 120.400 0.075 0.000 2.485 187 D HA 0.316 4.841 4.640 -0.191 0.000 0.256 187 D C -1.254 175.130 176.300 0.140 0.000 1.141 187 D CA -0.244 53.806 54.000 0.083 0.000 0.942 187 D CB 0.897 41.710 40.800 0.023 0.000 1.003 187 D HN 0.442 nan 8.370 nan 0.000 0.507 188 F N 3.149 123.131 119.950 0.054 0.000 2.434 188 F HA 0.179 4.591 4.527 -0.191 0.000 0.358 188 F C 0.256 176.157 175.800 0.169 0.000 1.136 188 F CA -0.156 57.917 58.000 0.123 0.000 1.157 188 F CB 0.307 39.404 39.000 0.162 0.000 1.167 188 F HN 0.117 nan 8.300 nan 0.000 0.539 189 Q N 4.664 124.261 119.800 -0.338 0.000 2.814 189 Q HA 0.493 4.718 4.340 -0.191 0.000 0.283 189 Q C -0.829 174.486 176.000 -1.143 0.000 1.071 189 Q CA -1.497 53.907 55.803 -0.665 0.000 0.849 189 Q CB 1.117 29.623 28.738 -0.386 0.000 1.437 189 Q HN 0.710 nan 8.270 nan 0.000 0.492 190 R N -0.605 119.109 120.500 -1.310 0.000 2.539 190 R HA 0.498 4.723 4.340 -0.191 0.000 0.275 190 R C 0.349 176.412 176.300 -0.395 0.000 1.077 190 R CA 0.472 55.991 56.100 -0.967 0.000 1.097 190 R CB 0.064 29.920 30.300 -0.740 0.000 1.018 190 R HN 0.913 nan 8.270 nan 0.000 0.483 191 G N 0.811 109.539 108.800 -0.121 0.000 2.137 191 G HA2 -0.233 3.612 3.960 -0.191 0.000 0.237 191 G HA3 -0.233 3.612 3.960 -0.191 0.000 0.237 191 G C -0.234 174.730 174.900 0.106 0.000 1.002 191 G CA 0.349 45.367 45.100 -0.136 0.000 0.702 191 G HN 0.784 nan 8.290 nan 0.000 0.515 192 T N -0.166 114.556 114.554 0.280 0.000 2.909 192 T HA 0.674 4.910 4.350 -0.191 0.000 0.299 192 T C -0.657 174.344 174.700 0.502 0.000 1.073 192 T CA -0.190 62.051 62.100 0.234 0.000 0.999 192 T CB 1.343 70.210 68.868 -0.002 0.000 1.098 192 T HN 0.972 nan 8.240 nan 0.000 0.477 193 F N 1.403 121.577 119.950 0.374 0.000 2.561 193 F HA 0.892 5.305 4.527 -0.191 0.000 0.321 193 F C -0.233 175.750 175.800 0.305 0.000 1.065 193 F CA -1.385 56.848 58.000 0.388 0.000 0.934 193 F CB 1.254 40.352 39.000 0.164 0.000 1.215 193 F HN 0.551 nan 8.300 nan 0.000 0.471 194 R N 1.409 122.082 120.500 0.289 0.000 2.750 194 R HA 0.863 5.089 4.340 -0.191 0.000 0.281 194 R C -2.309 174.018 176.300 0.045 0.000 0.972 194 R CA -1.013 55.102 56.100 0.024 0.000 0.912 194 R CB 2.079 32.245 30.300 -0.222 0.000 1.187 194 R HN 0.619 nan 8.270 nan 0.000 0.464 195 V N 2.774 122.720 119.914 0.053 0.000 2.448 195 V HA 0.520 4.526 4.120 -0.191 0.000 0.295 195 V C -0.160 175.931 176.094 -0.005 0.000 1.025 195 V CA -0.861 61.467 62.300 0.047 0.000 0.859 195 V CB 1.533 33.407 31.823 0.086 0.000 0.988 195 V HN 0.730 nan 8.190 nan 0.000 0.431 196 R N 3.285 123.778 120.500 -0.012 0.000 2.412 196 R HA 0.567 4.792 4.340 -0.191 0.000 0.304 196 R C 0.928 177.228 176.300 -0.000 0.000 1.066 196 R CA 0.165 56.256 56.100 -0.015 0.000 0.923 196 R CB 1.554 31.838 30.300 -0.027 0.000 1.156 196 R HN 1.082 nan 8.270 nan 0.000 0.513 197 G N 2.783 111.580 108.800 -0.005 0.000 2.665 197 G HA2 -0.394 3.452 3.960 -0.191 0.000 0.326 197 G HA3 -0.394 3.452 3.960 -0.191 0.000 0.326 197 G C 0.422 175.321 174.900 -0.001 0.000 1.231 197 G CA 0.661 45.758 45.100 -0.004 0.000 0.992 197 G HN 0.603 nan 8.290 nan 0.000 0.549 198 D N 0.742 121.166 120.400 0.040 0.000 2.349 198 D HA 0.269 4.794 4.640 -0.191 0.000 0.224 198 D C 0.684 177.108 176.300 0.206 0.000 1.029 198 D CA 0.596 54.658 54.000 0.103 0.000 0.879 198 D CB 0.291 41.178 40.800 0.145 0.000 0.906 198 D HN 0.259 nan 8.370 nan 0.000 0.528 199 V N 1.374 121.363 119.914 0.124 0.000 2.384 199 V HA 0.271 4.276 4.120 -0.191 0.000 0.287 199 V C 0.242 176.396 176.094 0.100 0.000 1.020 199 V CA -0.774 61.601 62.300 0.124 0.000 0.850 199 V CB 2.281 34.131 31.823 0.045 0.000 0.987 199 V HN -0.276 nan 8.190 nan 0.000 0.436 200 V N 4.613 124.621 119.914 0.157 0.000 2.435 200 V HA 0.453 4.459 4.120 -0.191 0.000 0.290 200 V C -0.097 176.032 176.094 0.057 0.000 1.030 200 V CA -0.607 61.761 62.300 0.112 0.000 0.881 200 V CB 1.762 33.678 31.823 0.154 0.000 0.983 200 V HN 0.930 nan 8.190 nan 0.000 0.445 201 E N 4.746 124.952 120.200 0.010 0.000 2.145 201 E HA 0.563 4.798 4.350 -0.191 0.000 0.270 201 E C -1.175 175.580 176.600 0.259 0.000 0.906 201 E CA -0.429 55.974 56.400 0.005 0.000 0.761 201 E CB 2.191 31.728 29.700 -0.271 0.000 1.116 201 E HN 0.554 nan 8.360 nan 0.000 0.408 202 I N 3.153 123.888 120.570 0.275 0.000 2.354 202 I HA 0.261 4.317 4.170 -0.191 0.000 0.292 202 I C -0.583 175.753 176.117 0.365 0.000 0.989 202 I CA -0.570 60.904 61.300 0.290 0.000 1.188 202 I CB 0.919 38.909 38.000 -0.017 0.000 1.342 202 I HN 0.476 nan 8.210 nan 0.000 0.457 203 F N 8.203 128.292 119.950 0.232 0.000 2.335 203 F HA 0.396 4.808 4.527 -0.192 0.000 0.365 203 F C -2.027 173.851 175.800 0.130 0.000 1.122 203 F CA -2.385 55.614 58.000 -0.002 0.000 1.151 203 F CB 0.868 39.544 39.000 -0.540 0.000 1.282 203 F HN 0.238 nan 8.300 nan 0.000 0.513 204 P HA -0.066 nan 4.420 nan 0.000 0.266 204 P C -0.066 177.423 177.300 0.315 0.000 1.193 204 P CA 0.364 63.702 63.100 0.397 0.000 0.770 204 P CB 0.953 32.827 31.700 0.290 0.000 0.836 205 A N 2.471 125.411 122.820 0.200 0.000 2.067 205 A HA -0.130 4.075 4.320 -0.191 0.000 0.219 205 A C 1.856 179.429 177.584 -0.018 0.000 1.158 205 A CA 1.880 53.846 52.037 -0.119 0.000 0.661 205 A CB -1.290 17.402 19.000 -0.513 0.000 0.801 205 A HN 0.584 nan 8.150 nan 0.000 0.452 206 S N -1.052 114.734 115.700 0.143 0.000 2.593 206 S HA 0.205 4.560 4.470 -0.191 0.000 0.217 206 S C 0.692 175.386 174.600 0.156 0.000 0.966 206 S CA -0.394 57.914 58.200 0.181 0.000 0.914 206 S CB 0.108 63.428 63.200 0.200 0.000 0.776 206 S HN 0.408 nan 8.310 nan 0.000 0.523 207 R N 1.348 121.952 120.500 0.172 0.000 2.795 207 R HA 0.388 4.614 4.340 -0.191 0.000 0.275 207 R C -1.200 175.238 176.300 0.231 0.000 0.981 207 R CA -0.232 55.991 56.100 0.204 0.000 0.917 207 R CB 1.382 31.843 30.300 0.268 0.000 1.202 207 R HN 0.379 nan 8.270 nan 0.000 0.469 208 D N -0.911 119.609 120.400 0.201 0.000 2.620 208 D HA 0.016 4.542 4.640 -0.191 0.000 0.260 208 D C 0.563 177.066 176.300 0.338 0.000 1.367 208 D CA -0.154 53.948 54.000 0.170 0.000 0.805 208 D CB 0.425 41.197 40.800 -0.047 0.000 1.096 208 D HN 0.709 nan 8.370 nan 0.000 0.488 209 E N -0.203 120.154 120.200 0.263 0.000 2.684 209 E HA 0.060 4.295 4.350 -0.191 0.000 0.204 209 E C -0.338 176.217 176.600 -0.074 0.000 0.900 209 E CA 0.023 56.392 56.400 -0.053 0.000 1.481 209 E CB 0.544 29.993 29.700 -0.418 0.000 1.468 209 E HN 0.316 nan 8.360 nan 0.000 0.778 210 H N 0.364 119.405 119.070 -0.048 0.000 2.806 210 H HA 0.558 5.000 4.556 -0.191 0.000 0.367 210 H C -0.417 174.717 175.328 -0.324 0.000 1.136 210 H CA -1.063 54.899 56.048 -0.144 0.000 1.178 210 H CB 1.977 31.721 29.762 -0.030 0.000 1.718 210 H HN 0.345 nan 8.280 nan 0.000 0.540 211 C N 0.430 119.615 119.300 -0.193 0.000 2.967 211 C HA 0.846 5.191 4.460 -0.191 0.000 0.372 211 C C -0.370 174.610 174.990 -0.017 0.000 1.455 211 C CA -0.828 58.081 59.018 -0.183 0.000 1.638 211 C CB 0.821 28.447 27.740 -0.190 0.000 2.096 211 C HN 0.550 nan 8.230 nan 0.000 0.466 212 V N 1.804 121.734 119.914 0.028 0.000 2.378 212 V HA 0.540 4.546 4.120 -0.191 0.000 0.288 212 V C 0.053 176.152 176.094 0.008 0.000 1.016 212 V CA -0.135 62.169 62.300 0.006 0.000 0.840 212 V CB 1.113 32.933 31.823 -0.006 0.000 0.994 212 V HN 0.909 nan 8.190 nan 0.000 0.431 213 R N 4.363 124.852 120.500 -0.019 0.000 2.229 213 R HA 0.652 4.877 4.340 -0.191 0.000 0.328 213 R C -1.417 174.855 176.300 -0.047 0.000 1.009 213 R CA -0.283 55.801 56.100 -0.027 0.000 0.864 213 R CB 1.394 31.672 30.300 -0.036 0.000 1.085 213 R HN 0.505 nan 8.270 nan 0.000 0.453 214 V N 5.077 124.969 119.914 -0.037 0.000 2.334 214 V HA 0.273 4.279 4.120 -0.191 0.000 0.281 214 V C -0.464 175.568 176.094 -0.103 0.000 1.016 214 V CA -0.668 61.563 62.300 -0.115 0.000 0.832 214 V CB 1.390 33.143 31.823 -0.116 0.000 0.999 214 V HN 0.834 nan 8.190 nan 0.000 0.439 215 E N 4.637 124.731 120.200 -0.177 0.000 2.133 215 E HA 0.523 4.759 4.350 -0.191 0.000 0.274 215 E C -1.244 175.260 176.600 -0.159 0.000 0.930 215 E CA -0.385 55.980 56.400 -0.059 0.000 0.770 215 E CB 1.753 31.438 29.700 -0.025 0.000 1.104 215 E HN 0.503 nan 8.360 nan 0.000 0.403 216 F N 1.962 121.926 119.950 0.024 0.000 2.399 216 F HA 0.421 4.834 4.527 -0.191 0.000 0.328 216 F C -0.149 175.728 175.800 0.129 0.000 1.084 216 F CA -0.871 57.154 58.000 0.042 0.000 1.053 216 F CB 0.906 39.904 39.000 -0.003 0.000 1.209 216 F HN 0.401 nan 8.300 nan 0.000 0.502 217 F N 2.234 122.273 119.950 0.148 0.000 2.577 217 F HA 0.596 5.009 4.527 -0.191 0.000 0.344 217 F C 0.181 176.040 175.800 0.099 0.000 1.145 217 F CA -0.483 57.573 58.000 0.093 0.000 0.996 217 F CB 0.496 39.519 39.000 0.037 0.000 1.248 217 F HN 0.723 nan 8.300 nan 0.000 0.447 218 G N 5.229 113.769 108.800 -0.433 0.000 2.566 218 G HA2 -0.296 3.549 3.960 -0.191 0.000 0.280 218 G HA3 -0.296 3.549 3.960 -0.191 0.000 0.280 218 G C -0.349 174.506 174.900 -0.077 0.000 1.225 218 G CA 0.292 45.172 45.100 -0.367 0.000 0.966 218 G HN 0.619 nan 8.290 nan 0.000 0.560 219 D N 2.476 122.843 120.400 -0.056 0.000 3.057 219 D HA 0.415 4.940 4.640 -0.191 0.000 0.246 219 D C 0.527 176.894 176.300 0.112 0.000 1.238 219 D CA 0.780 54.812 54.000 0.053 0.000 0.949 219 D CB 0.350 41.147 40.800 -0.005 0.000 1.086 219 D HN 0.596 nan 8.370 nan 0.000 0.487 220 E N 0.473 120.781 120.200 0.180 0.000 2.354 220 E HA 0.255 4.490 4.350 -0.191 0.000 0.283 220 E C -0.974 175.619 176.600 -0.011 0.000 0.938 220 E CA -0.630 55.822 56.400 0.088 0.000 0.777 220 E CB 1.805 31.559 29.700 0.089 0.000 1.222 220 E HN -0.000 nan 8.360 nan 0.000 0.423 221 I N 4.207 124.656 120.570 -0.201 0.000 2.416 221 I HA 0.083 4.138 4.170 -0.191 0.000 0.288 221 I C 1.047 177.051 176.117 -0.187 0.000 1.051 221 I CA -0.208 60.842 61.300 -0.417 0.000 1.375 221 I CB 1.003 38.746 38.000 -0.428 0.000 1.407 221 I HN 0.587 nan 8.210 nan 0.000 0.516 222 E N 5.801 125.908 120.200 -0.156 0.000 2.132 222 E HA 0.097 4.333 4.350 -0.191 0.000 0.193 222 E C 0.341 176.886 176.600 -0.091 0.000 0.951 222 E CA 0.717 57.073 56.400 -0.074 0.000 0.843 222 E CB 0.377 30.061 29.700 -0.026 0.000 0.807 222 E HN 0.622 nan 8.360 nan 0.000 0.467 223 R N -0.075 120.354 120.500 -0.118 0.000 2.739 223 R HA 0.641 4.866 4.340 -0.191 0.000 0.271 223 R C -0.837 175.391 176.300 -0.120 0.000 1.010 223 R CA -0.625 55.415 56.100 -0.099 0.000 0.897 223 R CB 1.110 31.369 30.300 -0.067 0.000 1.236 223 R HN -0.157 nan 8.270 nan 0.000 0.466 224 I N 1.158 121.671 120.570 -0.094 0.000 2.533 224 I HA 0.516 4.572 4.170 -0.191 0.000 0.290 224 I C -0.638 175.439 176.117 -0.066 0.000 1.056 224 I CA -0.940 60.305 61.300 -0.093 0.000 1.057 224 I CB 2.420 40.359 38.000 -0.101 0.000 1.240 224 I HN 0.491 nan 8.210 nan 0.000 0.423 225 R N 4.004 124.469 120.500 -0.060 0.000 2.621 225 R HA 0.372 4.598 4.340 -0.191 0.000 0.284 225 R C -1.052 175.219 176.300 -0.049 0.000 0.998 225 R CA -0.835 55.234 56.100 -0.051 0.000 0.895 225 R CB 2.591 32.862 30.300 -0.049 0.000 1.195 225 R HN 0.535 nan 8.270 nan 0.000 0.450 226 E N 2.551 122.718 120.200 -0.055 0.000 2.257 226 E HA 0.186 4.421 4.350 -0.191 0.000 0.278 226 E C -0.385 176.161 176.600 -0.090 0.000 1.049 226 E CA -0.246 56.113 56.400 -0.068 0.000 0.876 226 E CB 1.354 30.999 29.700 -0.093 0.000 1.035 226 E HN 0.301 nan 8.360 nan 0.000 0.419 227 V N 0.385 120.259 119.914 -0.067 0.000 3.001 227 V HA 0.376 4.382 4.120 -0.191 0.000 0.314 227 V C -0.140 175.938 176.094 -0.027 0.000 1.099 227 V CA -1.157 61.110 62.300 -0.056 0.000 0.989 227 V CB 2.154 33.955 31.823 -0.036 0.000 1.040 227 V HN 0.537 nan 8.190 nan 0.000 0.434 228 D N 1.946 122.347 120.400 0.001 0.000 2.383 228 D HA 0.360 4.885 4.640 -0.191 0.000 0.252 228 D C 1.070 177.399 176.300 0.048 0.000 1.166 228 D CA 0.692 54.737 54.000 0.074 0.000 0.879 228 D CB 2.121 42.965 40.800 0.074 0.000 1.164 228 D HN 0.889 nan 8.370 nan 0.000 0.462 229 A N 4.315 127.153 122.820 0.030 0.000 1.873 229 A HA -0.122 4.083 4.320 -0.191 0.000 0.215 229 A C 2.596 180.273 177.584 0.154 0.000 1.186 229 A CA 2.026 54.100 52.037 0.061 0.000 0.616 229 A CB -1.088 17.838 19.000 -0.123 0.000 0.823 229 A HN 0.627 nan 8.150 nan 0.000 0.442 230 L N -1.287 120.021 121.223 0.142 0.000 2.046 230 L HA -0.071 4.155 4.340 -0.191 0.000 0.208 230 L C 2.679 179.599 176.870 0.084 0.000 1.077 230 L CA 3.076 57.992 54.840 0.127 0.000 0.747 230 L CB -2.150 39.977 42.059 0.112 0.000 0.896 230 L HN 0.528 nan 8.230 nan 0.000 0.432 231 T N -1.727 112.866 114.554 0.066 0.000 3.031 231 T HA 0.382 4.618 4.350 -0.191 0.000 0.254 231 T C 1.736 176.452 174.700 0.027 0.000 1.060 231 T CA 1.117 63.243 62.100 0.043 0.000 1.135 231 T CB 0.053 68.945 68.868 0.039 0.000 0.896 231 T HN 1.649 nan 8.240 nan 0.000 0.472 232 G N 2.207 111.020 108.800 0.022 0.000 2.179 232 G HA2 -0.276 3.570 3.960 -0.191 0.000 0.260 232 G HA3 -0.276 3.570 3.960 -0.191 0.000 0.260 232 G C -0.001 174.896 174.900 -0.005 0.000 0.977 232 G CA 0.263 45.364 45.100 0.002 0.000 0.641 232 G HN 0.686 nan 8.290 nan 0.000 0.533 233 E N 0.881 121.082 120.200 0.001 0.000 2.406 233 E HA 0.314 4.549 4.350 -0.191 0.000 0.258 233 E C 0.690 177.276 176.600 -0.024 0.000 1.043 233 E CA -0.595 55.801 56.400 -0.007 0.000 0.929 233 E CB 0.035 29.737 29.700 0.003 0.000 0.969 233 E HN 0.428 nan 8.360 nan 0.000 0.462 234 I N 5.587 126.140 120.570 -0.029 0.000 2.618 234 I HA -0.105 3.950 4.170 -0.191 0.000 0.284 234 I C 1.040 177.124 176.117 -0.055 0.000 1.146 234 I CA 0.150 61.425 61.300 -0.042 0.000 1.425 234 I CB 0.636 38.615 38.000 -0.036 0.000 1.383 234 I HN 0.690 nan 8.210 nan 0.000 0.562 235 L N 5.422 126.596 121.223 -0.082 0.000 2.537 235 L HA 0.482 4.707 4.340 -0.191 0.000 0.224 235 L C 0.870 177.691 176.870 -0.081 0.000 1.065 235 L CA -0.052 54.725 54.840 -0.105 0.000 0.860 235 L CB 0.038 41.974 42.059 -0.206 0.000 1.086 235 L HN 0.793 nan 8.230 nan 0.000 0.482 236 G N -0.813 107.946 108.800 -0.068 0.000 2.377 236 G HA2 0.262 4.108 3.960 -0.191 0.000 0.297 236 G HA3 0.262 4.108 3.960 -0.191 0.000 0.297 236 G C -2.232 172.643 174.900 -0.042 0.000 1.547 236 G CA -0.730 44.341 45.100 -0.048 0.000 0.833 236 G HN -0.189 nan 8.290 nan 0.000 0.583 237 D N 0.182 120.562 120.400 -0.032 0.000 2.253 237 D HA 0.694 5.219 4.640 -0.191 0.000 0.249 237 D C 0.290 176.575 176.300 -0.024 0.000 1.049 237 D CA -0.125 53.856 54.000 -0.032 0.000 0.929 237 D CB 0.928 41.710 40.800 -0.030 0.000 1.176 237 D HN 0.249 nan 8.370 nan 0.000 0.437 238 R N 1.289 121.772 120.500 -0.027 0.000 2.628 238 R HA 0.215 4.440 4.340 -0.191 0.000 0.288 238 R C -0.429 175.864 176.300 -0.011 0.000 0.980 238 R CA -0.571 55.521 56.100 -0.014 0.000 0.891 238 R CB 1.542 31.827 30.300 -0.026 0.000 1.188 238 R HN 0.480 nan 8.270 nan 0.000 0.450 239 D N -0.309 120.101 120.400 0.017 0.000 2.289 239 D HA -0.052 4.474 4.640 -0.191 0.000 0.207 239 D C 0.415 176.761 176.300 0.076 0.000 0.966 239 D CA 0.972 54.989 54.000 0.027 0.000 0.868 239 D CB 0.356 41.173 40.800 0.028 0.000 0.943 239 D HN 0.512 nan 8.370 nan 0.000 0.514 240 H N -0.716 118.335 119.070 -0.031 0.000 2.954 240 H HA 0.505 4.946 4.556 -0.191 0.000 0.361 240 H C -2.033 173.281 175.328 -0.023 0.000 1.122 240 H CA -0.724 55.305 56.048 -0.033 0.000 1.217 240 H CB 2.120 31.868 29.762 -0.023 0.000 1.776 240 H HN -0.216 nan 8.280 nan 0.000 0.533 241 V N 2.793 122.287 119.914 -0.701 0.000 2.760 241 V HA 0.542 4.548 4.120 -0.191 0.000 0.309 241 V C -0.204 175.474 176.094 -0.693 0.000 1.077 241 V CA -0.689 61.266 62.300 -0.575 0.000 0.910 241 V CB 1.446 33.123 31.823 -0.243 0.000 1.008 241 V HN 0.907 nan 8.190 nan 0.000 0.424 242 A N 5.642 128.181 122.820 -0.470 0.000 2.260 242 A HA 0.804 5.010 4.320 -0.191 0.000 0.308 242 A C -0.555 176.890 177.584 -0.232 0.000 1.254 242 A CA -0.405 51.422 52.037 -0.351 0.000 0.874 242 A CB 0.238 19.056 19.000 -0.303 0.000 1.153 242 A HN 0.611 nan 8.150 nan 0.000 0.527 243 I N 3.424 123.831 120.570 -0.270 0.000 2.312 243 I HA 0.294 4.349 4.170 -0.191 0.000 0.290 243 I C -0.538 175.473 176.117 -0.178 0.000 1.008 243 I CA -0.298 60.930 61.300 -0.121 0.000 1.226 243 I CB 0.108 38.002 38.000 -0.176 0.000 1.371 243 I HN 0.473 nan 8.210 nan 0.000 0.468 244 F N 6.979 126.935 119.950 0.009 0.000 2.378 244 F HA 0.427 4.840 4.527 -0.190 0.000 0.325 244 F C -1.680 174.131 175.800 0.018 0.000 1.097 244 F CA -2.138 55.791 58.000 -0.118 0.000 1.079 244 F CB 0.109 39.013 39.000 -0.160 0.000 1.240 244 F HN 0.283 nan 8.300 nan 0.000 0.519 245 P HA -0.011 nan 4.420 nan 0.000 0.265 245 P C -0.242 177.097 177.300 0.066 0.000 1.187 245 P CA 0.343 63.511 63.100 0.113 0.000 0.766 245 P CB 0.612 32.374 31.700 0.103 0.000 0.820 246 A N 1.984 124.637 122.820 -0.278 0.000 2.209 246 A HA 0.056 4.261 4.320 -0.191 0.000 0.212 246 A C 1.056 178.440 177.584 -0.334 0.000 1.158 246 A CA 1.141 52.815 52.037 -0.604 0.000 0.742 246 A CB -0.360 17.987 19.000 -1.088 0.000 0.790 246 A HN 0.511 nan 8.150 nan 0.000 0.472 247 S N -2.343 113.349 115.700 -0.014 0.000 2.536 247 S HA 0.500 4.856 4.470 -0.191 0.000 0.287 247 S C 0.107 174.832 174.600 0.208 0.000 1.101 247 S CA -0.568 57.718 58.200 0.143 0.000 0.950 247 S CB 0.775 64.027 63.200 0.086 0.000 1.056 247 S HN 0.431 nan 8.310 nan 0.000 0.481 248 H N 1.968 121.218 119.070 0.300 0.000 2.547 248 H HA 0.263 4.705 4.556 -0.191 0.000 0.266 248 H C 0.301 175.734 175.328 0.175 0.000 0.988 248 H CA 1.434 57.576 56.048 0.158 0.000 1.147 248 H CB 0.165 29.882 29.762 -0.075 0.000 1.365 248 H HN 0.470 nan 8.280 nan 0.000 0.589 249 F N 0.977 121.088 119.950 0.267 0.000 2.949 249 F HA 0.543 4.955 4.527 -0.191 0.000 0.376 249 F C -0.945 174.968 175.800 0.189 0.000 1.205 249 F CA -1.170 56.964 58.000 0.224 0.000 1.155 249 F CB 0.322 39.450 39.000 0.214 0.000 1.495 249 F HN 0.023 nan 8.300 nan 0.000 0.551 250 V N 2.015 122.032 119.914 0.172 0.000 2.398 250 V HA 0.788 4.794 4.120 -0.191 0.000 0.286 250 V C -0.115 176.052 176.094 0.122 0.000 1.026 250 V CA -0.168 62.213 62.300 0.135 0.000 0.868 250 V CB 1.384 33.274 31.823 0.112 0.000 0.982 250 V HN 0.823 nan 8.190 nan 0.000 0.443 251 T N 7.324 121.947 114.554 0.115 0.000 2.963 251 T HA 0.474 4.710 4.350 -0.191 0.000 0.343 251 T C 0.125 174.874 174.700 0.082 0.000 1.146 251 T CA -0.359 61.804 62.100 0.104 0.000 1.016 251 T CB 0.135 69.072 68.868 0.115 0.000 1.046 251 T HN 0.838 nan 8.240 nan 0.000 0.496 252 R N 1.166 121.708 120.500 0.070 0.000 2.811 252 R HA 0.320 4.545 4.340 -0.191 0.000 0.265 252 R C 1.714 178.043 176.300 0.048 0.000 1.026 252 R CA -0.013 56.120 56.100 0.055 0.000 1.142 252 R CB 0.243 30.570 30.300 0.046 0.000 1.027 252 R HN 0.688 nan 8.270 nan 0.000 0.465 253 A N 2.200 125.044 122.820 0.039 0.000 2.019 253 A HA -0.223 3.982 4.320 -0.191 0.000 0.219 253 A C 2.321 179.921 177.584 0.026 0.000 1.164 253 A CA 2.045 54.101 52.037 0.032 0.000 0.644 253 A CB -0.904 18.112 19.000 0.026 0.000 0.805 253 A HN 0.904 nan 8.150 nan 0.000 0.449 254 E N -0.545 119.671 120.200 0.027 0.000 2.047 254 E HA -0.154 4.082 4.350 -0.191 0.000 0.191 254 E C 2.245 178.862 176.600 0.029 0.000 0.987 254 E CA 2.484 58.898 56.400 0.024 0.000 0.799 254 E CB -1.170 28.544 29.700 0.023 0.000 0.752 254 E HN 0.845 nan 8.360 nan 0.000 0.449 255 K N -0.118 120.306 120.400 0.039 0.000 2.103 255 K HA 0.207 4.413 4.320 -0.191 0.000 0.204 255 K C 2.257 178.884 176.600 0.045 0.000 1.052 255 K CA 1.825 58.141 56.287 0.048 0.000 0.945 255 K CB -0.647 31.890 32.500 0.063 0.000 0.722 255 K HN 0.483 nan 8.250 nan 0.000 0.443 256 M N 1.281 120.904 119.600 0.039 0.000 2.086 256 M HA -0.098 4.268 4.480 -0.191 0.000 0.261 256 M C 2.366 178.666 176.300 0.001 0.000 1.067 256 M CA 2.772 58.087 55.300 0.025 0.000 1.116 256 M CB -0.422 32.194 32.600 0.027 0.000 1.348 256 M HN 0.519 nan 8.290 nan 0.000 0.407 257 E N 0.749 120.951 120.200 0.002 0.000 2.070 257 E HA -0.286 3.950 4.350 -0.191 0.000 0.197 257 E C 1.939 178.535 176.600 -0.007 0.000 1.004 257 E CA 2.331 58.726 56.400 -0.008 0.000 0.805 257 E CB -1.104 28.596 29.700 -0.001 0.000 0.744 257 E HN 0.799 nan 8.360 nan 0.000 0.451 258 K N -0.279 120.127 120.400 0.010 0.000 2.057 258 K HA 0.150 4.355 4.320 -0.191 0.000 0.206 258 K C 2.649 179.263 176.600 0.024 0.000 1.050 258 K CA 0.996 57.295 56.287 0.020 0.000 0.935 258 K CB -0.155 32.366 32.500 0.035 0.000 0.715 258 K HN 0.355 nan 8.250 nan 0.000 0.439 259 A N 1.381 124.220 122.820 0.032 0.000 1.933 259 A HA -0.146 4.059 4.320 -0.191 0.000 0.218 259 A C 2.127 179.674 177.584 -0.060 0.000 1.175 259 A CA 1.287 53.351 52.037 0.044 0.000 0.628 259 A CB -0.625 18.421 19.000 0.077 0.000 0.814 259 A HN 0.182 nan 8.150 nan 0.000 0.444 260 I N -1.154 119.365 120.570 -0.084 0.000 2.179 260 I HA -0.300 3.755 4.170 -0.191 0.000 0.242 260 I C 2.733 178.786 176.117 -0.108 0.000 1.088 260 I CA 1.584 62.803 61.300 -0.136 0.000 1.357 260 I CB -0.400 37.529 38.000 -0.118 0.000 1.051 260 I HN 0.332 nan 8.210 nan 0.000 0.409 261 Q N 1.061 120.827 119.800 -0.057 0.000 2.012 261 Q HA -0.269 3.957 4.340 -0.191 0.000 0.211 261 Q C 1.980 177.960 176.000 -0.034 0.000 1.009 261 Q CA 2.369 58.151 55.803 -0.034 0.000 0.866 261 Q CB -0.219 28.515 28.738 -0.006 0.000 0.945 261 Q HN 0.446 nan 8.270 nan 0.000 0.414 262 N N -0.450 118.243 118.700 -0.010 0.000 2.166 262 N HA -0.108 4.518 4.740 -0.191 0.000 0.186 262 N C 1.747 177.213 175.510 -0.074 0.000 1.019 262 N CA 1.118 54.193 53.050 0.041 0.000 0.856 262 N CB -0.237 38.367 38.487 0.194 0.000 0.993 262 N HN 0.301 nan 8.380 nan 0.000 0.426 263 I N 1.539 121.910 120.570 -0.332 0.000 2.226 263 I HA -0.223 3.833 4.170 -0.191 0.000 0.245 263 I C 2.131 178.141 176.117 -0.179 0.000 1.100 263 I CA 1.140 62.150 61.300 -0.483 0.000 1.374 263 I CB -0.176 37.513 38.000 -0.517 0.000 1.057 263 I HN 0.136 nan 8.210 nan 0.000 0.413 264 E N 0.565 120.687 120.200 -0.130 0.000 2.058 264 E HA -0.306 3.930 4.350 -0.191 0.000 0.194 264 E C 2.094 178.674 176.600 -0.033 0.000 0.997 264 E CA 1.350 57.707 56.400 -0.071 0.000 0.801 264 E CB -0.082 29.579 29.700 -0.064 0.000 0.746 264 E HN 0.207 nan 8.360 nan 0.000 0.450 265 K N 1.557 121.946 120.400 -0.018 0.000 2.026 265 K HA -0.209 3.997 4.320 -0.191 0.000 0.208 265 K C 1.922 178.540 176.600 0.030 0.000 1.048 265 K CA 1.705 57.998 56.287 0.010 0.000 0.929 265 K CB -0.151 32.363 32.500 0.024 0.000 0.713 265 K HN 0.069 nan 8.250 nan 0.000 0.439 266 E N -0.221 120.010 120.200 0.052 0.000 2.085 266 E HA -0.218 4.017 4.350 -0.191 0.000 0.194 266 E C 1.925 178.559 176.600 0.057 0.000 0.994 266 E CA 1.348 57.799 56.400 0.085 0.000 0.801 266 E CB -0.171 29.630 29.700 0.169 0.000 0.743 266 E HN 0.279 nan 8.360 nan 0.000 0.453 267 L N 1.502 122.744 121.223 0.030 0.000 2.017 267 L HA -0.170 4.055 4.340 -0.191 0.000 0.208 267 L C 1.967 178.844 176.870 0.011 0.000 1.073 267 L CA 1.940 56.793 54.840 0.021 0.000 0.745 267 L CB -0.355 41.706 42.059 0.003 0.000 0.894 267 L HN 0.108 nan 8.230 nan 0.000 0.432 268 E N -0.777 119.425 120.200 0.004 0.000 2.118 268 E HA -0.216 4.020 4.350 -0.191 0.000 0.195 268 E C 2.030 178.635 176.600 0.007 0.000 0.992 268 E CA 1.255 57.653 56.400 -0.004 0.000 0.804 268 E CB -0.010 29.686 29.700 -0.007 0.000 0.741 268 E HN 0.493 nan 8.360 nan 0.000 0.458 269 E N 0.282 120.495 120.200 0.021 0.000 2.112 269 E HA -0.164 4.072 4.350 -0.191 0.000 0.190 269 E C 2.001 178.621 176.600 0.034 0.000 0.979 269 E CA 0.756 57.174 56.400 0.030 0.000 0.814 269 E CB -0.043 29.679 29.700 0.037 0.000 0.762 269 E HN 0.146 nan 8.360 nan 0.000 0.460 270 Q N 0.344 120.164 119.800 0.034 0.000 2.119 270 Q HA -0.084 4.141 4.340 -0.191 0.000 0.201 270 Q C 1.965 177.982 176.000 0.028 0.000 0.972 270 Q CA 0.721 56.543 55.803 0.031 0.000 0.847 270 Q CB -0.122 28.636 28.738 0.032 0.000 0.903 270 Q HN 0.096 nan 8.270 nan 0.000 0.433 271 L N 0.663 121.897 121.223 0.019 0.000 2.017 271 L HA -0.153 4.072 4.340 -0.191 0.000 0.208 271 L C 2.026 178.928 176.870 0.054 0.000 1.073 271 L CA 1.822 56.670 54.840 0.013 0.000 0.745 271 L CB -0.951 41.097 42.059 -0.018 0.000 0.894 271 L HN 0.212 nan 8.230 nan 0.000 0.432 272 K N -0.885 119.548 120.400 0.055 0.000 2.034 272 K HA -0.207 3.999 4.320 -0.191 0.000 0.214 272 K C 1.914 178.656 176.600 0.236 0.000 1.051 272 K CA 1.952 58.332 56.287 0.156 0.000 0.931 272 K CB -0.389 32.162 32.500 0.085 0.000 0.715 272 K HN 0.186 nan 8.250 nan 0.000 0.446 273 V N 1.050 121.027 119.914 0.105 0.000 2.515 273 V HA -0.233 3.772 4.120 -0.191 0.000 0.250 273 V C 2.162 178.275 176.094 0.031 0.000 1.058 273 V CA 1.648 63.980 62.300 0.054 0.000 1.064 273 V CB -0.420 31.421 31.823 0.030 0.000 0.675 273 V HN 0.345 nan 8.190 nan 0.000 0.461 274 M N 0.010 119.640 119.600 0.049 0.000 2.236 274 M HA -0.063 4.302 4.480 -0.191 0.000 0.266 274 M C 2.286 178.607 176.300 0.034 0.000 1.070 274 M CA 1.955 57.267 55.300 0.020 0.000 1.137 274 M CB -0.549 32.056 32.600 0.008 0.000 1.378 274 M HN 0.674 nan 8.290 nan 0.000 0.426 275 H N 0.058 119.112 119.070 -0.027 0.000 2.326 275 H HA -0.056 4.385 4.556 -0.191 0.000 0.301 275 H C 1.620 176.936 175.328 -0.020 0.000 1.081 275 H CA 1.892 57.925 56.048 -0.024 0.000 1.334 275 H CB -0.271 29.478 29.762 -0.021 0.000 1.385 275 H HN 0.372 nan 8.280 nan 0.000 0.504 276 E N 0.307 120.166 120.200 -0.568 0.000 2.097 276 E HA -0.190 4.045 4.350 -0.191 0.000 0.196 276 E C 1.068 177.549 176.600 -0.198 0.000 1.000 276 E CA 1.511 57.660 56.400 -0.418 0.000 0.804 276 E CB -0.097 29.464 29.700 -0.231 0.000 0.740 276 E HN 0.653 nan 8.360 nan 0.000 0.454 277 N N -0.659 117.970 118.700 -0.119 0.000 2.313 277 N HA 0.113 4.739 4.740 -0.191 0.000 0.207 277 N C 0.266 175.737 175.510 -0.065 0.000 1.141 277 N CA 0.611 53.615 53.050 -0.077 0.000 0.830 277 N CB 1.106 39.562 38.487 -0.053 0.000 1.008 277 N HN 0.216 nan 8.380 nan 0.000 0.481 278 G N 0.993 109.748 108.800 -0.075 0.000 2.225 278 G HA2 -0.326 3.519 3.960 -0.191 0.000 0.267 278 G HA3 -0.326 3.519 3.960 -0.191 0.000 0.267 278 G C -0.098 174.781 174.900 -0.034 0.000 1.024 278 G CA -0.005 45.066 45.100 -0.048 0.000 0.784 278 G HN 0.252 nan 8.290 nan 0.000 0.507 279 K N 0.213 120.592 120.400 -0.034 0.000 2.502 279 K HA 0.329 4.535 4.320 -0.191 0.000 0.244 279 K C 1.351 177.930 176.600 -0.034 0.000 1.249 279 K CA -0.515 55.745 56.287 -0.044 0.000 1.193 279 K CB 0.527 32.992 32.500 -0.058 0.000 1.674 279 K HN 0.200 nan 8.250 nan 0.000 0.302 280 L N 0.971 122.178 121.223 -0.025 0.000 2.044 280 L HA -0.126 4.099 4.340 -0.191 0.000 0.205 280 L C 2.059 178.904 176.870 -0.042 0.000 1.075 280 L CA 1.302 56.131 54.840 -0.018 0.000 0.747 280 L CB -0.709 41.345 42.059 -0.009 0.000 0.903 280 L HN 0.468 nan 8.230 nan 0.000 0.435 281 L N -0.385 120.807 121.223 -0.051 0.000 1.989 281 L HA -0.252 3.973 4.340 -0.191 0.000 0.211 281 L C 2.443 179.241 176.870 -0.121 0.000 1.071 281 L CA 1.924 56.720 54.840 -0.073 0.000 0.749 281 L CB -0.489 41.537 42.059 -0.054 0.000 0.890 281 L HN 0.309 nan 8.230 nan 0.000 0.431 282 E N 0.133 120.257 120.200 -0.126 0.000 2.110 282 E HA -0.132 4.104 4.350 -0.191 0.000 0.193 282 E C 2.173 178.686 176.600 -0.145 0.000 0.988 282 E CA 1.364 57.660 56.400 -0.173 0.000 0.804 282 E CB -0.386 29.221 29.700 -0.156 0.000 0.745 282 E HN 0.579 nan 8.360 nan 0.000 0.458 283 A N 0.842 123.608 122.820 -0.091 0.000 1.902 283 A HA -0.274 3.931 4.320 -0.191 0.000 0.217 283 A C 2.444 179.981 177.584 -0.078 0.000 1.181 283 A CA 2.612 54.611 52.037 -0.064 0.000 0.623 283 A CB -1.283 17.704 19.000 -0.022 0.000 0.818 283 A HN 0.328 nan 8.150 nan 0.000 0.443 284 Q N -0.166 119.583 119.800 -0.084 0.000 2.020 284 Q HA -0.221 4.004 4.340 -0.191 0.000 0.202 284 Q C 2.305 178.235 176.000 -0.117 0.000 0.982 284 Q CA 2.269 58.020 55.803 -0.085 0.000 0.838 284 Q CB -0.804 27.888 28.738 -0.077 0.000 0.899 284 Q HN 0.811 nan 8.270 nan 0.000 0.423 285 R N -0.460 119.935 120.500 -0.176 0.000 2.094 285 R HA -0.132 4.093 4.340 -0.191 0.000 0.239 285 R C 2.378 178.546 176.300 -0.221 0.000 1.137 285 R CA 1.921 57.867 56.100 -0.258 0.000 0.943 285 R CB -0.533 29.503 30.300 -0.441 0.000 0.850 285 R HN 0.497 nan 8.270 nan 0.000 0.433 286 L N 1.345 122.453 121.223 -0.191 0.000 2.046 286 L HA -0.160 4.066 4.340 -0.191 0.000 0.208 286 L C 2.270 179.106 176.870 -0.057 0.000 1.077 286 L CA 2.250 57.020 54.840 -0.117 0.000 0.747 286 L CB -0.535 41.473 42.059 -0.086 0.000 0.896 286 L HN 0.363 nan 8.230 nan 0.000 0.432 287 E N -1.277 118.889 120.200 -0.057 0.000 2.072 287 E HA -0.240 3.995 4.350 -0.191 0.000 0.190 287 E C 2.079 178.669 176.600 -0.017 0.000 0.982 287 E CA 1.059 57.441 56.400 -0.031 0.000 0.803 287 E CB -0.092 29.587 29.700 -0.036 0.000 0.755 287 E HN 0.680 nan 8.360 nan 0.000 0.453 288 Q N 0.223 120.001 119.800 -0.035 0.000 2.002 288 Q HA -0.195 4.030 4.340 -0.191 0.000 0.204 288 Q C 2.388 178.402 176.000 0.023 0.000 0.988 288 Q CA 1.857 57.647 55.803 -0.021 0.000 0.843 288 Q CB -0.178 28.523 28.738 -0.063 0.000 0.908 288 Q HN 0.190 nan 8.270 nan 0.000 0.420 289 R N -0.100 120.400 120.500 -0.000 0.000 2.080 289 R HA -0.113 4.112 4.340 -0.191 0.000 0.236 289 R C 2.476 178.847 176.300 0.118 0.000 1.137 289 R CA 1.874 58.007 56.100 0.054 0.000 0.943 289 R CB -0.557 29.745 30.300 0.004 0.000 0.846 289 R HN 0.265 nan 8.270 nan 0.000 0.431 290 T N 0.588 115.195 114.554 0.088 0.000 2.737 290 T HA -0.084 4.151 4.350 -0.191 0.000 0.265 290 T C 1.788 176.516 174.700 0.046 0.000 1.038 290 T CA 1.082 63.246 62.100 0.106 0.000 1.144 290 T CB -0.121 68.797 68.868 0.083 0.000 0.866 290 T HN 0.253 nan 8.240 nan 0.000 0.434 291 R N -0.454 120.070 120.500 0.039 0.000 2.148 291 R HA -0.015 4.211 4.340 -0.191 0.000 0.227 291 R C 2.196 178.524 176.300 0.047 0.000 1.103 291 R CA 0.812 56.923 56.100 0.018 0.000 0.983 291 R CB -0.322 29.989 30.300 0.018 0.000 0.874 291 R HN 0.415 nan 8.270 nan 0.000 0.451 292 Y N 1.984 122.272 120.300 -0.021 0.000 2.163 292 Y HA -0.189 4.246 4.550 -0.191 0.000 0.288 292 Y C 1.730 177.618 175.900 -0.020 0.000 1.136 292 Y CA 1.523 59.614 58.100 -0.014 0.000 1.147 292 Y CB -0.140 38.319 38.460 -0.002 0.000 0.987 292 Y HN -0.031 nan 8.280 nan 0.000 0.509 293 D N -0.000 120.405 120.400 0.009 0.000 2.182 293 D HA -0.193 4.332 4.640 -0.191 0.000 0.201 293 D C 2.203 178.369 176.300 -0.223 0.000 0.986 293 D CA 1.448 55.404 54.000 -0.074 0.000 0.847 293 D CB -0.338 40.522 40.800 0.101 0.000 0.942 293 D HN 0.381 nan 8.370 nan 0.000 0.467 294 L N 0.320 121.419 121.223 -0.206 0.000 2.179 294 L HA -0.078 4.148 4.340 -0.191 0.000 0.208 294 L C 2.802 179.555 176.870 -0.194 0.000 1.096 294 L CA 1.315 56.020 54.840 -0.224 0.000 0.779 294 L CB -0.498 41.454 42.059 -0.179 0.000 0.922 294 L HN 0.043 nan 8.230 nan 0.000 0.443 295 E N -0.020 120.054 120.200 -0.209 0.000 2.051 295 E HA -0.252 3.983 4.350 -0.191 0.000 0.192 295 E C 1.999 178.461 176.600 -0.230 0.000 0.991 295 E CA 1.621 57.898 56.400 -0.205 0.000 0.799 295 E CB -0.542 29.026 29.700 -0.220 0.000 0.748 295 E HN 0.236 nan 8.360 nan 0.000 0.449 296 M N -0.376 119.024 119.600 -0.334 0.000 2.117 296 M HA 0.047 4.412 4.480 -0.191 0.000 0.262 296 M C 2.550 178.768 176.300 -0.138 0.000 1.065 296 M CA 1.448 56.597 55.300 -0.253 0.000 1.114 296 M CB -0.899 31.513 32.600 -0.313 0.000 1.361 296 M HN 0.373 nan 8.290 nan 0.000 0.408 297 M N -0.961 118.544 119.600 -0.158 0.000 2.117 297 M HA -0.213 4.152 4.480 -0.191 0.000 0.262 297 M C 2.293 178.550 176.300 -0.071 0.000 1.065 297 M CA 1.590 56.825 55.300 -0.109 0.000 1.114 297 M CB -0.375 32.126 32.600 -0.164 0.000 1.361 297 M HN 0.199 nan 8.290 nan 0.000 0.408 298 R N -0.160 120.286 120.500 -0.090 0.000 2.096 298 R HA -0.130 4.096 4.340 -0.191 0.000 0.235 298 R C 1.983 178.259 176.300 -0.040 0.000 1.127 298 R CA 1.322 57.385 56.100 -0.062 0.000 0.968 298 R CB -0.155 30.104 30.300 -0.069 0.000 0.861 298 R HN 0.506 nan 8.270 nan 0.000 0.440 299 E N -0.452 119.720 120.200 -0.047 0.000 2.021 299 E HA -0.048 4.188 4.350 -0.191 0.000 0.189 299 E C 1.674 178.275 176.600 0.002 0.000 0.980 299 E CA 0.880 57.265 56.400 -0.025 0.000 0.803 299 E CB 0.215 29.893 29.700 -0.037 0.000 0.766 299 E HN 0.159 nan 8.360 nan 0.000 0.449 300 M N -1.229 118.382 119.600 0.018 0.000 2.367 300 M HA 0.231 4.596 4.480 -0.191 0.000 0.256 300 M C 1.171 177.529 176.300 0.098 0.000 1.091 300 M CA 0.625 55.965 55.300 0.066 0.000 1.049 300 M CB 0.590 33.261 32.600 0.117 0.000 1.406 300 M HN 0.271 nan 8.290 nan 0.000 0.498 301 G N 2.154 110.997 108.800 0.071 0.000 2.179 301 G HA2 -0.295 3.550 3.960 -0.191 0.000 0.257 301 G HA3 -0.295 3.550 3.960 -0.191 0.000 0.257 301 G C -0.152 174.862 174.900 0.190 0.000 1.010 301 G CA 0.584 45.737 45.100 0.090 0.000 0.736 301 G HN 0.473 nan 8.290 nan 0.000 0.513 302 F N -0.246 119.703 119.950 -0.001 0.000 2.688 302 F HA 0.550 4.962 4.527 -0.191 0.000 0.308 302 F C -0.206 175.603 175.800 0.014 0.000 1.117 302 F CA -0.567 57.445 58.000 0.021 0.000 0.976 302 F CB 0.879 39.895 39.000 0.027 0.000 1.291 302 F HN 0.849 nan 8.300 nan 0.000 0.439 303 C N 2.370 121.054 119.300 -1.028 0.000 3.170 303 C HA 0.818 5.163 4.460 -0.191 0.000 0.319 303 C C -0.280 174.100 174.990 -1.016 0.000 1.260 303 C CA -0.608 57.957 59.018 -0.755 0.000 1.374 303 C CB 0.839 28.404 27.740 -0.290 0.000 1.739 303 C HN 1.212 nan 8.230 nan 0.000 0.479 304 S N 0.953 116.375 115.700 -0.463 0.000 2.560 304 S HA 0.450 4.806 4.470 -0.191 0.000 0.284 304 S C 1.359 175.922 174.600 -0.061 0.000 1.327 304 S CA 1.535 59.631 58.200 -0.173 0.000 1.055 304 S CB -0.090 63.150 63.200 0.067 0.000 0.868 304 S HN 3.022 nan 8.310 nan 0.000 0.506 305 G N 3.979 112.789 108.800 0.017 0.000 2.198 305 G HA2 -0.245 3.601 3.960 -0.191 0.000 0.260 305 G HA3 -0.245 3.601 3.960 -0.191 0.000 0.260 305 G C 0.499 175.427 174.900 0.047 0.000 1.025 305 G CA 0.368 45.503 45.100 0.058 0.000 0.769 305 G HN 0.954 nan 8.290 nan 0.000 0.507 306 I N 0.515 121.098 120.570 0.020 0.000 2.567 306 I HA -0.162 3.893 4.170 -0.191 0.000 0.257 306 I C 2.721 178.945 176.117 0.179 0.000 1.184 306 I CA 1.922 63.293 61.300 0.118 0.000 1.451 306 I CB -0.009 37.980 38.000 -0.019 0.000 1.089 306 I HN 0.535 nan 8.210 nan 0.000 0.441 307 E N 0.631 120.912 120.200 0.135 0.000 2.160 307 E HA -0.307 3.929 4.350 -0.191 0.000 0.195 307 E C 1.341 177.982 176.600 0.067 0.000 0.991 307 E CA 1.960 58.439 56.400 0.131 0.000 0.810 307 E CB -1.194 28.593 29.700 0.145 0.000 0.742 307 E HN 0.609 nan 8.360 nan 0.000 0.466 308 N N -0.143 118.527 118.700 -0.050 0.000 2.430 308 N HA -0.149 4.476 4.740 -0.191 0.000 0.186 308 N C 0.653 176.003 175.510 -0.266 0.000 1.032 308 N CA 1.211 54.133 53.050 -0.214 0.000 0.893 308 N CB -0.264 37.993 38.487 -0.383 0.000 0.957 308 N HN 0.323 nan 8.380 nan 0.000 0.442 309 Y N -0.579 119.790 120.300 0.116 0.000 2.524 309 Y HA 0.172 4.607 4.550 -0.191 0.000 0.266 309 Y C 2.044 178.040 175.900 0.160 0.000 1.180 309 Y CA -0.467 57.724 58.100 0.152 0.000 1.244 309 Y CB 0.097 38.616 38.460 0.099 0.000 1.125 309 Y HN 0.105 nan 8.280 nan 0.000 0.524 310 S N 0.653 116.487 115.700 0.223 0.000 2.365 310 S HA -0.283 4.072 4.470 -0.191 0.000 0.225 310 S C 2.186 176.890 174.600 0.173 0.000 1.039 310 S CA 1.182 59.498 58.200 0.192 0.000 1.033 310 S CB -0.265 63.028 63.200 0.156 0.000 0.887 310 S HN 0.415 nan 8.310 nan 0.000 0.447 311 R N 0.870 121.446 120.500 0.126 0.000 2.096 311 R HA -0.113 4.113 4.340 -0.191 0.000 0.235 311 R C 2.174 178.497 176.300 0.038 0.000 1.127 311 R CA 1.645 57.776 56.100 0.052 0.000 0.968 311 R CB -0.929 29.357 30.300 -0.025 0.000 0.861 311 R HN 0.640 nan 8.270 nan 0.000 0.440 312 H N 0.585 119.735 119.070 0.133 0.000 2.357 312 H HA -0.051 4.390 4.556 -0.191 0.000 0.301 312 H C 2.135 177.526 175.328 0.105 0.000 1.082 312 H CA 1.497 57.617 56.048 0.120 0.000 1.342 312 H CB 0.003 29.853 29.762 0.147 0.000 1.389 312 H HN 0.180 nan 8.280 nan 0.000 0.511 313 L N 0.119 121.493 121.223 0.251 0.000 2.275 313 L HA -0.096 4.129 4.340 -0.191 0.000 0.215 313 L C 2.187 179.148 176.870 0.152 0.000 1.119 313 L CA 1.089 56.036 54.840 0.179 0.000 0.790 313 L CB -0.353 41.813 42.059 0.177 0.000 0.919 313 L HN 0.156 nan 8.230 nan 0.000 0.443 314 T N -0.537 114.109 114.554 0.154 0.000 3.055 314 T HA 0.046 4.281 4.350 -0.191 0.000 0.265 314 T C 0.937 175.709 174.700 0.119 0.000 1.111 314 T CA 0.095 62.282 62.100 0.146 0.000 1.118 314 T CB 0.104 69.069 68.868 0.161 0.000 0.909 314 T HN 0.063 nan 8.240 nan 0.000 0.501 315 L N 0.438 121.726 121.223 0.108 0.000 4.232 315 L HA -0.162 4.063 4.340 -0.191 0.000 0.415 315 L C 0.451 177.358 176.870 0.062 0.000 1.168 315 L CA 0.768 55.661 54.840 0.089 0.000 0.966 315 L CB -1.773 40.336 42.059 0.085 0.000 2.052 315 L HN 0.330 nan 8.230 nan 0.000 0.887 316 R N 0.923 121.451 120.500 0.046 0.000 2.500 316 R HA 0.557 4.782 4.340 -0.191 0.000 0.277 316 R C -1.913 174.378 176.300 -0.015 0.000 1.026 316 R CA -1.598 54.516 56.100 0.024 0.000 1.058 316 R CB 0.652 30.966 30.300 0.024 0.000 1.078 316 R HN -0.013 nan 8.270 nan 0.000 0.509 317 P HA 0.140 nan 4.420 nan 0.000 0.272 317 P C -2.572 174.706 177.300 -0.038 0.000 1.223 317 P CA -1.555 61.532 63.100 -0.021 0.000 0.784 317 P CB -0.232 31.465 31.700 -0.006 0.000 0.923 318 P HA 0.039 nan 4.420 nan 0.000 0.266 318 P C 1.109 178.400 177.300 -0.014 0.000 1.195 318 P CA 1.265 64.344 63.100 -0.035 0.000 0.768 318 P CB -0.169 31.519 31.700 -0.020 0.000 0.838 319 G N 1.613 110.409 108.800 -0.006 0.000 2.205 319 G HA2 -0.268 3.577 3.960 -0.191 0.000 0.261 319 G HA3 -0.268 3.577 3.960 -0.191 0.000 0.261 319 G C 0.418 175.311 174.900 -0.011 0.000 0.980 319 G CA 0.092 45.197 45.100 0.008 0.000 0.632 319 G HN 0.600 nan 8.290 nan 0.000 0.533 320 S N 1.589 117.270 115.700 -0.033 0.000 2.563 320 S HA 0.361 4.717 4.470 -0.191 0.000 0.294 320 S C 0.940 175.490 174.600 -0.084 0.000 1.279 320 S CA 0.810 58.971 58.200 -0.065 0.000 1.069 320 S CB 0.672 63.823 63.200 -0.081 0.000 0.828 320 S HN 0.500 nan 8.310 nan 0.000 0.497 321 T N 6.630 121.120 114.554 -0.107 0.000 2.867 321 T HA 0.161 4.397 4.350 -0.191 0.000 0.297 321 T C -2.022 172.568 174.700 -0.183 0.000 0.989 321 T CA -0.711 61.324 62.100 -0.108 0.000 1.159 321 T CB 0.087 68.902 68.868 -0.088 0.000 0.928 321 T HN 0.361 nan 8.240 nan 0.000 0.538 322 P HA 0.076 nan 4.420 nan 0.000 0.268 322 P C -0.651 176.574 177.300 -0.126 0.000 1.208 322 P CA -0.171 62.865 63.100 -0.106 0.000 0.777 322 P CB 0.240 31.937 31.700 -0.005 0.000 0.875 323 Y N 0.262 120.615 120.300 0.087 0.000 2.377 323 Y HA 0.336 4.771 4.550 -0.191 0.000 0.330 323 Y C 1.609 177.569 175.900 0.100 0.000 1.108 323 Y CA 0.115 58.277 58.100 0.104 0.000 1.308 323 Y CB 0.401 38.930 38.460 0.114 0.000 1.216 323 Y HN 0.335 nan 8.280 nan 0.000 0.518 324 T N -0.490 114.199 114.554 0.225 0.000 2.858 324 T HA 0.241 4.476 4.350 -0.191 0.000 0.285 324 T C 0.523 175.238 174.700 0.026 0.000 1.052 324 T CA -0.952 61.199 62.100 0.084 0.000 1.009 324 T CB 1.010 69.884 68.868 0.010 0.000 1.241 324 T HN 0.516 nan 8.240 nan 0.000 0.542 325 L N 0.618 121.706 121.223 -0.225 0.000 2.129 325 L HA 0.022 4.248 4.340 -0.191 0.000 0.212 325 L C 2.299 179.075 176.870 -0.157 0.000 1.087 325 L CA 1.598 56.175 54.840 -0.438 0.000 0.757 325 L CB -1.124 40.421 42.059 -0.856 0.000 0.896 325 L HN 0.737 nan 8.230 nan 0.000 0.434 326 L N -0.938 120.167 121.223 -0.196 0.000 2.127 326 L HA -0.240 3.986 4.340 -0.191 0.000 0.211 326 L C 1.944 178.631 176.870 -0.304 0.000 1.089 326 L CA 1.415 56.041 54.840 -0.356 0.000 0.757 326 L CB -0.953 40.674 42.059 -0.721 0.000 0.899 326 L HN 0.357 nan 8.230 nan 0.000 0.434 327 D N -0.947 119.399 120.400 -0.089 0.000 2.317 327 D HA -0.129 4.396 4.640 -0.191 0.000 0.211 327 D C 1.884 178.168 176.300 -0.027 0.000 0.966 327 D CA 1.014 55.046 54.000 0.054 0.000 0.876 327 D CB 0.126 41.037 40.800 0.185 0.000 0.927 327 D HN 0.372 nan 8.370 nan 0.000 0.519 328 Y N -0.259 119.911 120.300 -0.217 0.000 2.519 328 Y HA 0.072 4.507 4.550 -0.191 0.000 0.287 328 Y C 0.874 176.426 175.900 -0.579 0.000 1.128 328 Y CA 0.041 57.929 58.100 -0.353 0.000 1.282 328 Y CB -0.169 38.031 38.460 -0.432 0.000 1.027 328 Y HN -0.170 nan 8.280 nan 0.000 0.551 329 F N 1.075 120.742 119.950 -0.471 0.000 2.382 329 F HA 0.293 4.705 4.527 -0.192 0.000 0.331 329 F C -1.604 173.926 175.800 -0.449 0.000 1.121 329 F CA -2.490 55.120 58.000 -0.651 0.000 1.183 329 F CB 0.212 38.379 39.000 -1.387 0.000 1.207 329 F HN -0.166 nan 8.300 nan 0.000 0.555 330 P HA 0.013 nan 4.420 nan 0.000 0.271 330 P C 0.017 177.369 177.300 0.086 0.000 1.233 330 P CA -0.034 63.056 63.100 -0.018 0.000 0.789 330 P CB 0.613 32.312 31.700 -0.002 0.000 0.951 331 D N -0.394 120.038 120.400 0.053 0.000 2.178 331 D HA -0.139 4.386 4.640 -0.191 0.000 0.201 331 D C 0.456 176.676 176.300 -0.134 0.000 0.980 331 D CA 1.504 55.537 54.000 0.055 0.000 0.842 331 D CB -0.398 40.407 40.800 0.008 0.000 0.948 331 D HN 0.433 nan 8.370 nan 0.000 0.472 332 D N -0.122 120.135 120.400 -0.239 0.000 2.563 332 D HA 0.146 4.672 4.640 -0.191 0.000 0.222 332 D C -0.696 175.549 176.300 -0.091 0.000 1.145 332 D CA -0.461 53.228 54.000 -0.518 0.000 1.001 332 D CB -0.793 39.853 40.800 -0.256 0.000 1.049 332 D HN 0.048 nan 8.370 nan 0.000 0.515 333 F N 0.118 119.901 119.950 -0.278 0.000 2.640 333 F HA 0.632 5.044 4.527 -0.192 0.000 0.324 333 F C -0.947 174.761 175.800 -0.154 0.000 1.077 333 F CA -1.537 56.371 58.000 -0.152 0.000 0.965 333 F CB 1.486 40.384 39.000 -0.170 0.000 1.351 333 F HN -0.050 nan 8.300 nan 0.000 0.487 334 M N 2.823 122.270 119.600 -0.255 0.000 2.364 334 M HA 0.619 4.985 4.480 -0.191 0.000 0.334 334 M C -1.821 174.240 176.300 -0.399 0.000 1.107 334 M CA -0.611 54.487 55.300 -0.338 0.000 0.988 334 M CB 1.750 34.262 32.600 -0.146 0.000 1.673 334 M HN 0.683 nan 8.290 nan 0.000 0.441 335 I N 4.397 124.701 120.570 -0.443 0.000 2.404 335 I HA 0.431 4.486 4.170 -0.191 0.000 0.293 335 I C -0.965 175.026 176.117 -0.210 0.000 0.992 335 I CA -0.914 60.207 61.300 -0.298 0.000 1.149 335 I CB 1.934 39.754 38.000 -0.299 0.000 1.315 335 I HN 0.330 nan 8.210 nan 0.000 0.446 336 V N 6.896 126.738 119.914 -0.120 0.000 2.384 336 V HA 0.308 4.313 4.120 -0.191 0.000 0.287 336 V C -0.071 176.033 176.094 0.015 0.000 1.020 336 V CA -0.726 61.536 62.300 -0.064 0.000 0.850 336 V CB 1.645 33.450 31.823 -0.031 0.000 0.987 336 V HN 0.397 nan 8.190 nan 0.000 0.436 337 V N 3.768 123.722 119.914 0.065 0.000 2.304 337 V HA 0.257 4.262 4.120 -0.191 0.000 0.269 337 V C 0.049 176.267 176.094 0.207 0.000 1.036 337 V CA -0.471 61.936 62.300 0.177 0.000 0.840 337 V CB 1.124 33.146 31.823 0.331 0.000 1.036 337 V HN 0.911 nan 8.190 nan 0.000 0.466 338 D N 4.156 124.664 120.400 0.180 0.000 2.389 338 D HA 0.125 4.650 4.640 -0.191 0.000 0.247 338 D C 0.715 177.160 176.300 0.242 0.000 1.128 338 D CA 0.285 54.407 54.000 0.203 0.000 0.884 338 D CB 0.609 41.519 40.800 0.183 0.000 1.194 338 D HN 0.585 nan 8.370 nan 0.000 0.441 339 E N 1.799 122.158 120.200 0.264 0.000 2.228 339 E HA -0.226 4.009 4.350 -0.191 0.000 0.213 339 E C 0.986 177.667 176.600 0.136 0.000 1.282 339 E CA 0.841 57.400 56.400 0.265 0.000 0.707 339 E CB -1.827 28.069 29.700 0.328 0.000 1.150 339 E HN 0.556 nan 8.360 nan 0.000 0.362 340 S N -0.023 115.831 115.700 0.258 0.000 2.402 340 S HA -0.274 4.081 4.470 -0.191 0.000 0.233 340 S C 1.729 176.407 174.600 0.130 0.000 1.030 340 S CA 1.621 59.964 58.200 0.239 0.000 1.003 340 S CB -0.607 62.809 63.200 0.359 0.000 0.813 340 S HN 0.677 nan 8.310 nan 0.000 0.477 341 H N 0.631 119.745 119.070 0.074 0.000 2.489 341 H HA 0.131 4.571 4.556 -0.193 0.000 0.293 341 H C 1.839 177.171 175.328 0.006 0.000 1.066 341 H CA 1.301 57.370 56.048 0.035 0.000 1.305 341 H CB -0.666 29.115 29.762 0.031 0.000 1.386 341 H HN 0.450 nan 8.280 nan 0.000 0.551 342 V N 0.983 120.548 119.914 -0.582 0.000 2.672 342 V HA -0.107 3.898 4.120 -0.191 0.000 0.242 342 V C 2.428 178.371 176.094 -0.251 0.000 1.059 342 V CA 1.545 63.549 62.300 -0.493 0.000 1.081 342 V CB -0.096 31.195 31.823 -0.886 0.000 0.752 342 V HN 0.420 nan 8.190 nan 0.000 0.472 343 T N 0.891 115.364 114.554 -0.134 0.000 2.821 343 T HA -0.052 4.184 4.350 -0.191 0.000 0.267 343 T C 1.934 176.650 174.700 0.028 0.000 1.046 343 T CA 1.176 63.287 62.100 0.019 0.000 1.139 343 T CB -0.126 68.818 68.868 0.127 0.000 0.871 343 T HN 0.137 nan 8.240 nan 0.000 0.454 344 I N 1.699 122.304 120.570 0.058 0.000 2.142 344 I HA -0.069 3.986 4.170 -0.191 0.000 0.240 344 I C -0.620 175.507 176.117 0.018 0.000 1.078 344 I CA 1.334 62.690 61.300 0.094 0.000 1.343 344 I CB -2.376 35.684 38.000 0.099 0.000 1.046 344 I HN 0.159 nan 8.210 nan 0.000 0.405 345 P HA -0.193 nan 4.420 nan 0.000 0.216 345 P C 1.803 179.082 177.300 -0.034 0.000 1.150 345 P CA 1.406 64.466 63.100 -0.066 0.000 0.837 345 P CB -0.146 31.522 31.700 -0.054 0.000 0.786 346 Q N -0.117 119.668 119.800 -0.025 0.000 2.050 346 Q HA -0.137 4.088 4.340 -0.191 0.000 0.202 346 Q C 1.933 177.938 176.000 0.008 0.000 0.980 346 Q CA 1.686 57.487 55.803 -0.003 0.000 0.840 346 Q CB -0.538 28.205 28.738 0.008 0.000 0.898 346 Q HN 0.012 nan 8.270 nan 0.000 0.424 347 V N 1.145 121.050 119.914 -0.016 0.000 2.332 347 V HA -0.293 3.713 4.120 -0.191 0.000 0.248 347 V C 2.547 178.666 176.094 0.042 0.000 1.055 347 V CA 2.279 64.527 62.300 -0.086 0.000 1.038 347 V CB -0.738 30.869 31.823 -0.360 0.000 0.651 347 V HN 0.400 nan 8.190 nan 0.000 0.450 348 R N 0.182 120.785 120.500 0.171 0.000 2.096 348 R HA -0.125 4.100 4.340 -0.191 0.000 0.235 348 R C 2.274 178.632 176.300 0.098 0.000 1.127 348 R CA 1.631 57.830 56.100 0.165 0.000 0.968 348 R CB -0.630 29.601 30.300 -0.117 0.000 0.861 348 R HN 0.555 nan 8.270 nan 0.000 0.440 349 G N 0.308 109.141 108.800 0.055 0.000 2.484 349 G HA2 -0.172 3.674 3.960 -0.191 0.000 0.218 349 G HA3 -0.172 3.674 3.960 -0.191 0.000 0.218 349 G C 1.282 176.233 174.900 0.084 0.000 1.130 349 G CA 0.166 45.300 45.100 0.056 0.000 0.784 349 G HN 0.155 nan 8.290 nan 0.000 0.543 350 M N 0.153 119.812 119.600 0.099 0.000 2.117 350 M HA 0.076 4.442 4.480 -0.191 0.000 0.262 350 M C 2.231 178.602 176.300 0.118 0.000 1.065 350 M CA 0.617 55.990 55.300 0.122 0.000 1.114 350 M CB -1.424 31.250 32.600 0.123 0.000 1.361 350 M HN 0.352 nan 8.290 nan 0.000 0.408 351 F N 1.844 121.776 119.950 -0.030 0.000 2.146 351 F HA -0.157 4.255 4.527 -0.191 0.000 0.298 351 F C 2.037 177.836 175.800 -0.001 0.000 1.096 351 F CA 1.438 59.414 58.000 -0.039 0.000 1.275 351 F CB -0.308 38.672 39.000 -0.034 0.000 1.008 351 F HN 0.192 nan 8.300 nan 0.000 0.480 352 N N 0.782 119.514 118.700 0.053 0.000 2.171 352 N HA -0.074 4.552 4.740 -0.191 0.000 0.184 352 N C 2.151 177.608 175.510 -0.088 0.000 1.021 352 N CA 1.280 54.297 53.050 -0.055 0.000 0.854 352 N CB -1.092 37.446 38.487 0.086 0.000 0.994 352 N HN 0.484 nan 8.380 nan 0.000 0.426 353 G N 1.104 109.889 108.800 -0.025 0.000 2.459 353 G HA2 -0.308 3.537 3.960 -0.191 0.000 0.217 353 G HA3 -0.308 3.537 3.960 -0.191 0.000 0.217 353 G C 1.291 176.167 174.900 -0.040 0.000 1.183 353 G CA 1.254 46.344 45.100 -0.018 0.000 0.776 353 G HN 0.361 nan 8.290 nan 0.000 0.552 354 D N -0.448 119.928 120.400 -0.040 0.000 2.106 354 D HA -0.154 4.372 4.640 -0.191 0.000 0.191 354 D C 2.538 178.756 176.300 -0.137 0.000 0.997 354 D CA 1.352 55.324 54.000 -0.046 0.000 0.834 354 D CB 0.007 40.790 40.800 -0.027 0.000 0.956 354 D HN 0.183 nan 8.370 nan 0.000 0.448 355 Q N 0.001 119.618 119.800 -0.305 0.000 2.124 355 Q HA -0.095 4.130 4.340 -0.191 0.000 0.202 355 Q C 2.274 178.175 176.000 -0.165 0.000 0.977 355 Q CA 1.364 56.968 55.803 -0.333 0.000 0.850 355 Q CB -0.638 27.726 28.738 -0.624 0.000 0.901 355 Q HN 0.440 nan 8.270 nan 0.000 0.429 356 A N 1.170 123.914 122.820 -0.126 0.000 1.877 356 A HA -0.196 4.009 4.320 -0.191 0.000 0.216 356 A C 2.226 179.794 177.584 -0.026 0.000 1.186 356 A CA 1.540 53.542 52.037 -0.058 0.000 0.620 356 A CB -0.545 18.428 19.000 -0.044 0.000 0.822 356 A HN 0.249 nan 8.150 nan 0.000 0.443 357 R N -0.306 120.175 120.500 -0.032 0.000 2.083 357 R HA -0.138 4.088 4.340 -0.191 0.000 0.237 357 R C 2.099 178.404 176.300 0.007 0.000 1.137 357 R CA 1.943 58.033 56.100 -0.016 0.000 0.951 357 R CB -0.211 30.074 30.300 -0.025 0.000 0.851 357 R HN 0.498 nan 8.270 nan 0.000 0.434 358 K N -0.412 119.987 120.400 -0.003 0.000 2.217 358 K HA -0.065 4.141 4.320 -0.191 0.000 0.202 358 K C 2.173 178.797 176.600 0.039 0.000 1.051 358 K CA 0.688 56.986 56.287 0.018 0.000 0.952 358 K CB 0.174 32.672 32.500 -0.004 0.000 0.736 358 K HN 0.177 nan 8.250 nan 0.000 0.453 359 Q N 0.257 120.073 119.800 0.025 0.000 2.172 359 Q HA -0.098 4.128 4.340 -0.191 0.000 0.200 359 Q C 2.181 178.247 176.000 0.110 0.000 0.964 359 Q CA 1.083 56.915 55.803 0.049 0.000 0.855 359 Q CB -0.037 28.715 28.738 0.023 0.000 0.918 359 Q HN 0.250 nan 8.270 nan 0.000 0.444 360 V N -0.477 119.518 119.914 0.135 0.000 2.759 360 V HA -0.147 3.858 4.120 -0.191 0.000 0.256 360 V C 1.870 178.157 176.094 0.322 0.000 1.080 360 V CA 1.071 63.523 62.300 0.253 0.000 1.101 360 V CB -0.343 31.616 31.823 0.227 0.000 0.698 360 V HN 0.230 nan 8.190 nan 0.000 0.477 361 L N -0.614 120.738 121.223 0.215 0.000 2.131 361 L HA -0.000 4.225 4.340 -0.191 0.000 0.206 361 L C 2.573 179.592 176.870 0.250 0.000 1.087 361 L CA 1.125 56.115 54.840 0.251 0.000 0.767 361 L CB -0.367 41.792 42.059 0.167 0.000 0.917 361 L HN 0.236 nan 8.230 nan 0.000 0.441 362 V N -0.485 119.521 119.914 0.152 0.000 2.379 362 V HA -0.229 3.776 4.120 -0.191 0.000 0.245 362 V C 2.035 178.167 176.094 0.065 0.000 1.044 362 V CA 1.583 63.939 62.300 0.093 0.000 1.036 362 V CB -0.396 31.463 31.823 0.060 0.000 0.664 362 V HN 0.383 nan 8.190 nan 0.000 0.453 363 D N -0.650 119.797 120.400 0.079 0.000 2.123 363 D HA -0.152 4.373 4.640 -0.191 0.000 0.196 363 D C 1.829 178.039 176.300 -0.150 0.000 0.992 363 D CA 1.359 55.346 54.000 -0.022 0.000 0.833 363 D CB -0.248 40.553 40.800 0.001 0.000 0.954 363 D HN 0.520 nan 8.370 nan 0.000 0.455 364 H N -0.970 118.112 119.070 0.020 0.000 2.517 364 H HA 0.274 4.716 4.556 -0.191 0.000 0.282 364 H C 1.170 176.336 175.328 -0.270 0.000 1.023 364 H CA 0.554 56.544 56.048 -0.097 0.000 1.169 364 H CB 0.588 30.268 29.762 -0.138 0.000 1.454 364 H HN 0.158 nan 8.280 nan 0.000 0.556 365 G N 0.986 109.728 108.800 -0.098 0.000 2.153 365 G HA2 -0.320 3.526 3.960 -0.191 0.000 0.252 365 G HA3 -0.320 3.526 3.960 -0.191 0.000 0.252 365 G C 0.586 175.319 174.900 -0.279 0.000 0.994 365 G CA 0.367 45.352 45.100 -0.193 0.000 0.698 365 G HN 0.390 nan 8.290 nan 0.000 0.521 366 F N -0.092 119.782 119.950 -0.127 0.000 2.416 366 F HA 0.349 4.762 4.527 -0.191 0.000 0.296 366 F C 1.786 177.540 175.800 -0.076 0.000 1.099 366 F CA 0.711 58.611 58.000 -0.168 0.000 1.427 366 F CB 0.224 39.103 39.000 -0.201 0.000 1.079 366 F HN 0.007 nan 8.300 nan 0.000 0.536 367 R N 0.160 120.743 120.500 0.138 0.000 2.744 367 R HA 0.446 4.672 4.340 -0.191 0.000 0.279 367 R C -0.782 175.549 176.300 0.052 0.000 0.977 367 R CA -0.900 55.243 56.100 0.072 0.000 0.906 367 R CB 1.544 31.883 30.300 0.064 0.000 1.197 367 R HN 0.024 nan 8.270 nan 0.000 0.463 368 L N 3.025 124.278 121.223 0.050 0.000 2.467 368 L HA 0.127 4.353 4.340 -0.191 0.000 0.270 368 L C -1.045 175.865 176.870 0.067 0.000 1.205 368 L CA -1.271 53.613 54.840 0.075 0.000 0.828 368 L CB 0.316 42.455 42.059 0.133 0.000 1.101 368 L HN 0.297 nan 8.230 nan 0.000 0.479 369 P HA -0.176 nan 4.420 nan 0.000 0.218 369 P C 1.484 178.818 177.300 0.058 0.000 1.148 369 P CA 1.305 64.439 63.100 0.057 0.000 0.822 369 P CB 0.109 31.842 31.700 0.054 0.000 0.784 370 S N -0.719 115.036 115.700 0.092 0.000 2.465 370 S HA -0.129 4.226 4.470 -0.191 0.000 0.241 370 S C 1.957 176.587 174.600 0.050 0.000 1.000 370 S CA 1.053 59.296 58.200 0.073 0.000 0.964 370 S CB -1.250 62.039 63.200 0.148 0.000 0.763 370 S HN 0.131 nan 8.310 nan 0.000 0.512 371 A N 1.654 124.492 122.820 0.030 0.000 2.067 371 A HA 0.246 4.451 4.320 -0.191 0.000 0.219 371 A C 2.109 179.698 177.584 0.009 0.000 1.158 371 A CA 0.888 52.918 52.037 -0.012 0.000 0.661 371 A CB -0.677 18.298 19.000 -0.042 0.000 0.801 371 A HN 0.563 nan 8.150 nan 0.000 0.452 372 L N -0.434 120.798 121.223 0.015 0.000 2.362 372 L HA -0.119 4.107 4.340 -0.191 0.000 0.219 372 L C 1.326 178.211 176.870 0.026 0.000 1.134 372 L CA 0.777 55.621 54.840 0.008 0.000 0.807 372 L CB -0.318 41.742 42.059 0.002 0.000 0.927 372 L HN 0.267 nan 8.230 nan 0.000 0.447 373 D N -0.435 119.982 120.400 0.028 0.000 2.317 373 D HA -0.102 4.424 4.640 -0.191 0.000 0.211 373 D C 0.907 177.231 176.300 0.040 0.000 0.966 373 D CA 0.552 54.570 54.000 0.030 0.000 0.876 373 D CB -0.110 40.691 40.800 0.001 0.000 0.927 373 D HN 0.274 nan 8.370 nan 0.000 0.519 374 N N 1.462 120.190 118.700 0.046 0.000 2.555 374 N HA 0.072 4.698 4.740 -0.191 0.000 0.244 374 N C -0.598 174.956 175.510 0.074 0.000 1.114 374 N CA -0.042 53.049 53.050 0.067 0.000 0.963 374 N CB 0.284 38.814 38.487 0.070 0.000 1.276 374 N HN 0.154 nan 8.380 nan 0.000 0.510 375 R N 1.852 122.389 120.500 0.061 0.000 2.716 375 R HA 0.601 4.826 4.340 -0.191 0.000 0.271 375 R C -3.122 173.117 176.300 -0.100 0.000 1.028 375 R CA -1.335 54.779 56.100 0.023 0.000 0.883 375 R CB 1.168 31.508 30.300 0.066 0.000 1.250 375 R HN 0.097 nan 8.270 nan 0.000 0.465 376 P HA 0.184 nan 4.420 nan 0.000 0.279 376 P C -0.365 176.839 177.300 -0.160 0.000 1.282 376 P CA -0.655 62.092 63.100 -0.588 0.000 0.788 376 P CB 0.626 31.689 31.700 -1.062 0.000 1.139 377 L N 0.313 121.443 121.223 -0.155 0.000 2.456 377 L HA 0.180 4.405 4.340 -0.191 0.000 0.272 377 L C 1.596 178.403 176.870 -0.105 0.000 1.189 377 L CA -0.163 54.633 54.840 -0.074 0.000 0.846 377 L CB -0.144 41.908 42.059 -0.012 0.000 1.111 377 L HN 0.313 nan 8.230 nan 0.000 0.475 378 R N 1.048 121.384 120.500 -0.273 0.000 2.679 378 R HA -0.059 4.166 4.340 -0.191 0.000 0.268 378 R C 0.915 177.153 176.300 -0.103 0.000 1.044 378 R CA 0.027 55.872 56.100 -0.425 0.000 1.105 378 R CB 0.372 30.327 30.300 -0.575 0.000 0.989 378 R HN 0.520 nan 8.270 nan 0.000 0.447 379 F N 2.249 122.109 119.950 -0.149 0.000 2.202 379 F HA -0.222 4.190 4.527 -0.192 0.000 0.301 379 F C 2.385 178.206 175.800 0.036 0.000 1.082 379 F CA 1.972 59.961 58.000 -0.018 0.000 1.313 379 F CB 0.069 39.036 39.000 -0.056 0.000 1.024 379 F HN 0.676 nan 8.300 nan 0.000 0.495 380 E N 0.114 120.400 120.200 0.143 0.000 2.150 380 E HA -0.236 3.999 4.350 -0.191 0.000 0.193 380 E C 1.689 178.273 176.600 -0.027 0.000 0.985 380 E CA 1.596 58.038 56.400 0.071 0.000 0.814 380 E CB -0.479 29.239 29.700 0.032 0.000 0.752 380 E HN 0.591 nan 8.360 nan 0.000 0.466 381 E N -0.028 120.141 120.200 -0.052 0.000 2.072 381 E HA -0.117 4.118 4.350 -0.191 0.000 0.190 381 E C 1.789 178.385 176.600 -0.008 0.000 0.982 381 E CA 1.118 57.485 56.400 -0.055 0.000 0.803 381 E CB -0.275 29.398 29.700 -0.045 0.000 0.755 381 E HN 0.303 nan 8.360 nan 0.000 0.453 382 F N 2.262 122.107 119.950 -0.175 0.000 2.171 382 F HA -0.142 4.269 4.527 -0.192 0.000 0.300 382 F C 1.862 177.518 175.800 -0.239 0.000 1.090 382 F CA 1.424 59.303 58.000 -0.203 0.000 1.293 382 F CB 0.011 38.752 39.000 -0.431 0.000 1.013 382 F HN -0.082 nan 8.300 nan 0.000 0.486 383 E N 0.306 120.261 120.200 -0.408 0.000 2.118 383 E HA -0.244 3.991 4.350 -0.191 0.000 0.195 383 E C 2.098 178.532 176.600 -0.277 0.000 0.992 383 E CA 1.376 57.569 56.400 -0.344 0.000 0.804 383 E CB -0.179 29.482 29.700 -0.064 0.000 0.741 383 E HN 0.451 nan 8.360 nan 0.000 0.458 384 K N -0.047 120.213 120.400 -0.234 0.000 2.280 384 K HA -0.126 4.080 4.320 -0.191 0.000 0.202 384 K C 1.615 178.024 176.600 -0.318 0.000 1.047 384 K CA 0.804 56.937 56.287 -0.256 0.000 0.942 384 K CB -0.030 32.298 32.500 -0.287 0.000 0.739 384 K HN 0.283 nan 8.250 nan 0.000 0.457 385 H N -0.476 118.474 119.070 -0.199 0.000 2.539 385 H HA 0.148 4.589 4.556 -0.191 0.000 0.267 385 H C 0.256 175.395 175.328 -0.315 0.000 0.982 385 H CA 0.226 56.190 56.048 -0.141 0.000 1.146 385 H CB 0.097 29.831 29.762 -0.046 0.000 1.382 385 H HN 0.102 nan 8.280 nan 0.000 0.577 386 M N 0.668 120.061 119.600 -0.345 0.000 2.220 386 M HA 0.024 4.389 4.480 -0.191 0.000 0.343 386 M C 1.108 177.199 176.300 -0.349 0.000 1.470 386 M CA 0.156 55.180 55.300 -0.461 0.000 1.161 386 M CB 0.966 33.267 32.600 -0.498 0.000 1.737 386 M HN 0.165 nan 8.290 nan 0.000 0.464 387 H N 2.692 121.458 119.070 -0.507 0.000 2.348 387 H HA 0.304 4.745 4.556 -0.192 0.000 0.313 387 H C -0.182 174.933 175.328 -0.355 0.000 1.051 387 H CA 0.813 56.639 56.048 -0.370 0.000 1.420 387 H CB 0.917 30.465 29.762 -0.357 0.000 1.484 387 H HN 0.535 nan 8.280 nan 0.000 0.609 388 N N 0.667 119.177 118.700 -0.316 0.000 2.295 388 N HA 0.260 4.886 4.740 -0.191 0.000 0.293 388 N C -1.491 173.787 175.510 -0.387 0.000 1.040 388 N CA -0.428 52.424 53.050 -0.331 0.000 0.840 388 N CB 2.990 41.349 38.487 -0.212 0.000 1.468 388 N HN 0.276 nan 8.380 nan 0.000 0.478 389 I N 1.407 121.724 120.570 -0.423 0.000 2.545 389 I HA 0.433 4.489 4.170 -0.191 0.000 0.292 389 I C -1.345 174.455 176.117 -0.528 0.000 1.040 389 I CA -0.801 60.203 61.300 -0.494 0.000 1.068 389 I CB 1.675 39.345 38.000 -0.550 0.000 1.251 389 I HN 0.116 nan 8.210 nan 0.000 0.424 390 V N 7.720 127.361 119.914 -0.455 0.000 2.443 390 V HA 0.372 4.378 4.120 -0.191 0.000 0.293 390 V C -0.936 174.983 176.094 -0.292 0.000 1.021 390 V CA -0.554 61.549 62.300 -0.328 0.000 0.848 390 V CB 1.138 32.876 31.823 -0.142 0.000 0.998 390 V HN 0.513 nan 8.190 nan 0.000 0.424 391 Y N 3.154 123.518 120.300 0.108 0.000 2.304 391 Y HA 0.585 5.019 4.550 -0.192 0.000 0.328 391 Y C 0.280 176.254 175.900 0.124 0.000 1.123 391 Y CA -0.766 57.418 58.100 0.141 0.000 1.218 391 Y CB 1.336 39.904 38.460 0.179 0.000 1.207 391 Y HN 0.367 nan 8.280 nan 0.000 0.495 392 V N 2.741 122.828 119.914 0.288 0.000 2.444 392 V HA 0.625 4.630 4.120 -0.191 0.000 0.294 392 V C -0.481 175.757 176.094 0.240 0.000 1.022 392 V CA -0.487 61.944 62.300 0.217 0.000 0.850 392 V CB 1.409 33.340 31.823 0.179 0.000 0.992 392 V HN 0.782 nan 8.190 nan 0.000 0.426 393 S N 2.900 118.719 115.700 0.198 0.000 2.578 393 S HA 0.601 4.957 4.470 -0.191 0.000 0.285 393 S C 0.533 175.179 174.600 0.077 0.000 1.126 393 S CA 0.296 58.607 58.200 0.185 0.000 0.878 393 S CB 1.827 65.175 63.200 0.247 0.000 1.091 393 S HN 1.100 nan 8.310 nan 0.000 0.450 394 A N 2.192 125.025 122.820 0.023 0.000 2.119 394 A HA 0.286 4.492 4.320 -0.191 0.000 0.216 394 A C 1.052 178.585 177.584 -0.085 0.000 1.152 394 A CA 1.433 53.456 52.037 -0.023 0.000 0.708 394 A CB -0.416 18.572 19.000 -0.019 0.000 0.805 394 A HN 1.513 nan 8.150 nan 0.000 0.460 395 T N -2.169 112.277 114.554 -0.179 0.000 3.298 395 T HA 0.486 4.722 4.350 -0.191 0.000 0.318 395 T C -3.298 171.284 174.700 -0.195 0.000 1.165 395 T CA -1.760 60.205 62.100 -0.226 0.000 1.557 395 T CB 1.107 69.762 68.868 -0.355 0.000 0.898 395 T HN -0.057 nan 8.240 nan 0.000 0.585 396 P HA 0.320 nan 4.420 nan 0.000 0.266 396 P C 1.001 178.318 177.300 0.028 0.000 1.195 396 P CA 0.279 63.399 63.100 0.032 0.000 0.768 396 P CB 0.442 32.164 31.700 0.038 0.000 0.838 397 G N 3.560 112.406 108.800 0.078 0.000 2.653 397 G HA2 0.202 4.048 3.960 -0.191 0.000 0.265 397 G HA3 0.202 4.048 3.960 -0.191 0.000 0.265 397 G C -1.563 173.354 174.900 0.028 0.000 1.237 397 G CA -0.966 44.176 45.100 0.069 0.000 0.946 397 G HN 0.301 nan 8.290 nan 0.000 0.522 398 P HA -0.118 nan 4.420 nan 0.000 0.219 398 P C 1.236 178.547 177.300 0.018 0.000 1.150 398 P CA 0.784 63.890 63.100 0.011 0.000 0.814 398 P CB 0.048 31.756 31.700 0.014 0.000 0.787 399 Y N 2.196 122.461 120.300 -0.060 0.000 2.070 399 Y HA -0.261 4.174 4.550 -0.192 0.000 0.280 399 Y C 2.213 178.075 175.900 -0.063 0.000 1.148 399 Y CA 2.126 60.208 58.100 -0.030 0.000 1.125 399 Y CB -0.829 37.578 38.460 -0.087 0.000 0.975 399 Y HN -0.093 nan 8.280 nan 0.000 0.492 400 E N 0.331 120.422 120.200 -0.182 0.000 2.058 400 E HA -0.223 4.012 4.350 -0.191 0.000 0.194 400 E C 2.246 178.755 176.600 -0.152 0.000 0.997 400 E CA 2.038 58.220 56.400 -0.364 0.000 0.801 400 E CB -0.483 29.022 29.700 -0.325 0.000 0.746 400 E HN 0.562 nan 8.360 nan 0.000 0.450 401 I N 0.650 121.160 120.570 -0.099 0.000 2.226 401 I HA -0.273 3.782 4.170 -0.191 0.000 0.245 401 I C 2.492 178.533 176.117 -0.126 0.000 1.100 401 I CA 1.279 62.535 61.300 -0.075 0.000 1.374 401 I CB -0.168 37.801 38.000 -0.053 0.000 1.057 401 I HN 0.101 nan 8.210 nan 0.000 0.413 402 E N 0.965 121.050 120.200 -0.191 0.000 2.051 402 E HA -0.255 3.980 4.350 -0.191 0.000 0.192 402 E C 1.954 178.289 176.600 -0.442 0.000 0.991 402 E CA 1.877 58.087 56.400 -0.316 0.000 0.799 402 E CB -0.213 29.245 29.700 -0.403 0.000 0.748 402 E HN 0.556 nan 8.360 nan 0.000 0.449 403 H N -1.272 117.539 119.070 -0.431 0.000 2.551 403 H HA 0.226 4.667 4.556 -0.191 0.000 0.266 403 H C -0.206 174.979 175.328 -0.238 0.000 0.977 403 H CA 1.016 56.746 56.048 -0.530 0.000 1.163 403 H CB 0.343 29.372 29.762 -1.222 0.000 1.381 403 H HN -0.060 nan 8.280 nan 0.000 0.581 404 T N 0.989 115.524 114.554 -0.031 0.000 2.744 404 T HA 0.032 4.268 4.350 -0.191 0.000 0.291 404 T C 0.502 175.206 174.700 0.006 0.000 0.957 404 T CA -0.652 61.482 62.100 0.057 0.000 1.002 404 T CB 1.460 70.386 68.868 0.096 0.000 0.919 404 T HN 0.228 nan 8.240 nan 0.000 0.468 405 D N 2.565 122.975 120.400 0.017 0.000 2.097 405 D HA 0.033 4.559 4.640 -0.191 0.000 0.195 405 D C 1.071 177.370 176.300 -0.001 0.000 0.989 405 D CA 1.346 55.344 54.000 -0.003 0.000 0.827 405 D CB 0.347 41.148 40.800 0.002 0.000 0.966 405 D HN 0.812 nan 8.370 nan 0.000 0.456 406 E N 0.525 120.732 120.200 0.012 0.000 2.290 406 E HA 0.448 4.683 4.350 -0.191 0.000 0.274 406 E C -0.401 176.214 176.600 0.025 0.000 0.889 406 E CA -0.679 55.728 56.400 0.012 0.000 0.760 406 E CB 1.261 30.966 29.700 0.009 0.000 1.206 406 E HN -0.171 nan 8.360 nan 0.000 0.419 407 M N 1.536 121.150 119.600 0.023 0.000 2.239 407 M HA 0.205 4.570 4.480 -0.191 0.000 0.348 407 M C -0.009 176.307 176.300 0.026 0.000 1.239 407 M CA -0.418 54.901 55.300 0.032 0.000 1.114 407 M CB 0.859 33.473 32.600 0.024 0.000 1.641 407 M HN 0.437 nan 8.290 nan 0.000 0.453 408 V N 3.592 123.526 119.914 0.033 0.000 2.348 408 V HA 0.195 4.200 4.120 -0.191 0.000 0.270 408 V C 0.412 176.518 176.094 0.020 0.000 1.037 408 V CA -0.550 61.763 62.300 0.022 0.000 0.872 408 V CB 0.761 32.596 31.823 0.021 0.000 1.002 408 V HN 0.755 nan 8.190 nan 0.000 0.464 409 E N 3.830 124.036 120.200 0.011 0.000 2.266 409 E HA 0.463 4.698 4.350 -0.191 0.000 0.277 409 E C -0.550 176.046 176.600 -0.008 0.000 1.018 409 E CA -0.489 55.913 56.400 0.004 0.000 0.840 409 E CB 1.272 30.971 29.700 -0.000 0.000 1.082 409 E HN 0.712 nan 8.360 nan 0.000 0.395 410 Q N 5.015 124.807 119.800 -0.013 0.000 2.337 410 Q HA 0.267 4.492 4.340 -0.191 0.000 0.260 410 Q C -0.320 175.653 176.000 -0.045 0.000 0.982 410 Q CA -0.194 55.590 55.803 -0.033 0.000 0.734 410 Q CB 0.834 29.560 28.738 -0.019 0.000 1.272 410 Q HN 0.791 nan 8.270 nan 0.000 0.461 411 I N 0.684 121.209 120.570 -0.075 0.000 4.240 411 I HA 0.400 4.455 4.170 -0.191 0.000 0.331 411 I C -0.639 175.404 176.117 -0.124 0.000 1.381 411 I CA -0.288 60.965 61.300 -0.078 0.000 1.136 411 I CB 0.745 38.712 38.000 -0.055 0.000 1.137 411 I HN 0.307 nan 8.210 nan 0.000 0.411 412 I N 3.107 123.559 120.570 -0.198 0.000 2.354 412 I HA 0.451 4.507 4.170 -0.191 0.000 0.292 412 I C 0.170 176.146 176.117 -0.236 0.000 0.989 412 I CA -0.311 60.801 61.300 -0.313 0.000 1.188 412 I CB 1.366 38.961 38.000 -0.675 0.000 1.342 412 I HN 0.222 nan 8.210 nan 0.000 0.457 413 R N 6.649 127.042 120.500 -0.178 0.000 2.404 413 R HA 0.305 4.531 4.340 -0.191 0.000 0.291 413 R C -1.478 174.747 176.300 -0.125 0.000 1.025 413 R CA -1.416 54.611 56.100 -0.121 0.000 0.991 413 R CB 0.822 31.076 30.300 -0.076 0.000 1.053 413 R HN 0.296 nan 8.270 nan 0.000 0.479 414 P HA -0.207 nan 4.420 nan 0.000 0.216 414 P C 0.926 178.180 177.300 -0.076 0.000 1.157 414 P CA 1.707 64.732 63.100 -0.124 0.000 0.880 414 P CB 0.118 31.706 31.700 -0.188 0.000 0.791 415 T N -5.640 108.877 114.554 -0.062 0.000 3.223 415 T HA 0.476 4.711 4.350 -0.191 0.000 0.259 415 T C 1.269 175.965 174.700 -0.006 0.000 1.015 415 T CA 0.122 62.205 62.100 -0.028 0.000 0.908 415 T CB -0.744 68.105 68.868 -0.030 0.000 1.054 415 T HN 0.296 nan 8.240 nan 0.000 0.567 416 G N 1.132 109.925 108.800 -0.012 0.000 2.168 416 G HA2 -0.221 3.625 3.960 -0.191 0.000 0.263 416 G HA3 -0.221 3.625 3.960 -0.191 0.000 0.263 416 G C -0.016 174.887 174.900 0.004 0.000 0.977 416 G CA -0.083 45.026 45.100 0.015 0.000 0.659 416 G HN 0.551 nan 8.290 nan 0.000 0.533 417 L N 0.409 121.625 121.223 -0.012 0.000 2.559 417 L HA 0.342 4.567 4.340 -0.191 0.000 0.282 417 L C 1.174 178.038 176.870 -0.010 0.000 1.232 417 L CA 0.392 55.226 54.840 -0.009 0.000 0.885 417 L CB 0.324 42.374 42.059 -0.015 0.000 1.131 417 L HN 0.251 nan 8.230 nan 0.000 0.498 418 L N 2.421 123.643 121.223 -0.002 0.000 2.375 418 L HA 0.338 4.563 4.340 -0.191 0.000 0.268 418 L C 0.059 176.926 176.870 -0.005 0.000 1.058 418 L CA -1.145 53.694 54.840 -0.001 0.000 0.803 418 L CB 0.956 43.020 42.059 0.007 0.000 1.212 418 L HN 0.477 nan 8.230 nan 0.000 0.451 419 D N 2.046 122.442 120.400 -0.007 0.000 2.443 419 D HA 0.129 4.655 4.640 -0.191 0.000 0.239 419 D C -2.176 174.121 176.300 -0.005 0.000 1.136 419 D CA -0.591 53.405 54.000 -0.007 0.000 0.879 419 D CB 0.473 41.267 40.800 -0.010 0.000 1.195 419 D HN 0.183 nan 8.370 nan 0.000 0.443 420 P HA 0.056 nan 4.420 nan 0.000 0.272 420 P C -0.161 177.133 177.300 -0.010 0.000 1.230 420 P CA -0.327 62.769 63.100 -0.006 0.000 0.788 420 P CB 0.591 32.287 31.700 -0.006 0.000 0.949 421 L N 1.910 123.127 121.223 -0.010 0.000 2.453 421 L HA 0.185 4.410 4.340 -0.191 0.000 0.272 421 L C 0.736 177.592 176.870 -0.023 0.000 1.182 421 L CA 0.067 54.898 54.840 -0.015 0.000 0.858 421 L CB -0.282 41.769 42.059 -0.013 0.000 1.120 421 L HN 0.231 nan 8.230 nan 0.000 0.474 422 I N 2.547 123.100 120.570 -0.029 0.000 2.377 422 I HA 0.252 4.307 4.170 -0.191 0.000 0.293 422 I C -0.510 175.574 176.117 -0.054 0.000 0.987 422 I CA -0.359 60.915 61.300 -0.043 0.000 1.185 422 I CB 1.808 39.783 38.000 -0.040 0.000 1.341 422 I HN 0.498 nan 8.210 nan 0.000 0.455 423 D N 5.112 125.464 120.400 -0.079 0.000 2.362 423 D HA 0.488 5.013 4.640 -0.191 0.000 0.247 423 D C -1.071 175.148 176.300 -0.136 0.000 1.050 423 D CA -0.232 53.712 54.000 -0.094 0.000 0.839 423 D CB 2.180 42.921 40.800 -0.098 0.000 1.283 423 D HN 0.070 nan 8.370 nan 0.000 0.477 424 V N 4.648 124.496 119.914 -0.109 0.000 2.435 424 V HA 0.599 4.604 4.120 -0.191 0.000 0.290 424 V C 0.248 176.276 176.094 -0.110 0.000 1.030 424 V CA -0.592 61.637 62.300 -0.118 0.000 0.881 424 V CB 1.389 33.172 31.823 -0.067 0.000 0.983 424 V HN 0.456 nan 8.190 nan 0.000 0.445 425 R N 4.104 124.518 120.500 -0.145 0.000 2.725 425 R HA 0.511 4.737 4.340 -0.191 0.000 0.277 425 R C -2.936 173.392 176.300 0.047 0.000 0.987 425 R CA -1.992 54.066 56.100 -0.070 0.000 0.901 425 R CB 2.510 32.721 30.300 -0.148 0.000 1.207 425 R HN 0.392 nan 8.270 nan 0.000 0.463 426 P HA 0.093 nan 4.420 nan 0.000 0.269 426 P C 0.531 177.934 177.300 0.173 0.000 1.215 426 P CA -0.021 63.140 63.100 0.101 0.000 0.780 426 P CB 0.598 32.339 31.700 0.068 0.000 0.898 427 I N -0.218 120.422 120.570 0.117 0.000 2.286 427 I HA -0.183 3.872 4.170 -0.191 0.000 0.248 427 I C 1.345 177.481 176.117 0.032 0.000 1.115 427 I CA 1.191 62.541 61.300 0.084 0.000 1.392 427 I CB -0.320 37.709 38.000 0.048 0.000 1.065 427 I HN 0.469 nan 8.210 nan 0.000 0.418 428 E N 0.896 121.116 120.200 0.033 0.000 2.366 428 E HA 0.181 4.417 4.350 -0.191 0.000 0.266 428 E C 0.906 177.516 176.600 0.016 0.000 1.015 428 E CA 0.730 57.137 56.400 0.012 0.000 0.906 428 E CB 0.254 29.962 29.700 0.013 0.000 0.979 428 E HN 0.386 nan 8.360 nan 0.000 0.443 429 G N 3.640 112.432 108.800 -0.013 0.000 2.143 429 G HA2 -0.354 3.491 3.960 -0.191 0.000 0.249 429 G HA3 -0.354 3.491 3.960 -0.191 0.000 0.249 429 G C 0.734 175.607 174.900 -0.046 0.000 0.981 429 G CA 0.500 45.593 45.100 -0.012 0.000 0.665 429 G HN 0.661 nan 8.290 nan 0.000 0.528 430 Q N -0.650 119.075 119.800 -0.125 0.000 1.985 430 Q HA -0.154 4.071 4.340 -0.191 0.000 0.207 430 Q C 2.675 178.425 176.000 -0.417 0.000 0.996 430 Q CA 1.928 57.501 55.803 -0.383 0.000 0.851 430 Q CB -0.174 28.346 28.738 -0.364 0.000 0.921 430 Q HN 0.536 nan 8.270 nan 0.000 0.418 431 I N 1.257 121.682 120.570 -0.242 0.000 2.179 431 I HA -0.251 3.805 4.170 -0.191 0.000 0.242 431 I C 1.844 177.940 176.117 -0.034 0.000 1.088 431 I CA 1.512 62.730 61.300 -0.135 0.000 1.357 431 I CB -1.347 36.602 38.000 -0.086 0.000 1.051 431 I HN 0.228 nan 8.210 nan 0.000 0.409 432 D N 0.557 120.948 120.400 -0.014 0.000 2.117 432 D HA -0.207 4.318 4.640 -0.191 0.000 0.197 432 D C 2.060 178.384 176.300 0.039 0.000 0.987 432 D CA 1.308 55.330 54.000 0.037 0.000 0.829 432 D CB -0.249 40.567 40.800 0.027 0.000 0.961 432 D HN 0.360 nan 8.370 nan 0.000 0.460 433 D N -0.034 120.385 120.400 0.032 0.000 2.104 433 D HA -0.160 4.365 4.640 -0.191 0.000 0.194 433 D C 2.161 178.536 176.300 0.124 0.000 0.994 433 D CA 0.667 54.728 54.000 0.102 0.000 0.830 433 D CB -0.038 40.889 40.800 0.212 0.000 0.959 433 D HN 0.122 nan 8.370 nan 0.000 0.452 434 L N 1.028 122.298 121.223 0.078 0.000 2.046 434 L HA -0.179 4.046 4.340 -0.191 0.000 0.208 434 L C 2.297 179.208 176.870 0.069 0.000 1.077 434 L CA 1.256 56.158 54.840 0.103 0.000 0.747 434 L CB -0.697 41.369 42.059 0.011 0.000 0.896 434 L HN 0.034 nan 8.230 nan 0.000 0.432 435 I N 0.461 121.060 120.570 0.049 0.000 2.091 435 I HA -0.254 3.801 4.170 -0.191 0.000 0.239 435 I C 2.704 178.840 176.117 0.031 0.000 1.061 435 I CA 1.559 62.879 61.300 0.033 0.000 1.317 435 I CB -2.417 35.606 38.000 0.039 0.000 1.031 435 I HN 0.385 nan 8.210 nan 0.000 0.401 436 G N 0.699 109.524 108.800 0.042 0.000 2.547 436 G HA2 -0.270 3.575 3.960 -0.191 0.000 0.221 436 G HA3 -0.270 3.575 3.960 -0.191 0.000 0.221 436 G C 1.539 176.464 174.900 0.041 0.000 1.140 436 G CA 0.841 45.965 45.100 0.040 0.000 0.760 436 G HN 0.412 nan 8.290 nan 0.000 0.583 437 E N 0.209 120.444 120.200 0.058 0.000 2.112 437 E HA 0.016 4.251 4.350 -0.191 0.000 0.190 437 E C 2.679 179.306 176.600 0.045 0.000 0.979 437 E CA 0.278 56.712 56.400 0.056 0.000 0.814 437 E CB -0.150 29.599 29.700 0.083 0.000 0.762 437 E HN 0.538 nan 8.360 nan 0.000 0.460 438 I N 1.484 122.080 120.570 0.044 0.000 2.142 438 I HA -0.294 3.762 4.170 -0.191 0.000 0.240 438 I C 2.581 178.711 176.117 0.021 0.000 1.078 438 I CA 1.066 62.385 61.300 0.032 0.000 1.343 438 I CB -0.297 37.719 38.000 0.025 0.000 1.046 438 I HN 0.029 nan 8.210 nan 0.000 0.405 439 Q N 0.641 120.450 119.800 0.014 0.000 2.112 439 Q HA -0.239 3.987 4.340 -0.191 0.000 0.206 439 Q C 2.430 178.437 176.000 0.011 0.000 0.987 439 Q CA 2.080 57.887 55.803 0.007 0.000 0.858 439 Q CB -0.578 28.161 28.738 0.002 0.000 0.905 439 Q HN 0.612 nan 8.270 nan 0.000 0.420 440 A N 0.981 123.811 122.820 0.017 0.000 1.930 440 A HA -0.168 4.038 4.320 -0.191 0.000 0.217 440 A C 2.073 179.667 177.584 0.016 0.000 1.175 440 A CA 1.125 53.172 52.037 0.016 0.000 0.627 440 A CB -0.214 18.798 19.000 0.019 0.000 0.815 440 A HN 0.107 nan 8.150 nan 0.000 0.443 441 R N -0.105 120.407 120.500 0.020 0.000 2.092 441 R HA 0.046 4.272 4.340 -0.191 0.000 0.231 441 R C 1.858 178.169 176.300 0.018 0.000 1.119 441 R CA 1.075 57.187 56.100 0.021 0.000 0.970 441 R CB -1.031 29.285 30.300 0.027 0.000 0.864 441 R HN 0.667 nan 8.270 nan 0.000 0.440 442 I N 0.865 121.446 120.570 0.017 0.000 2.286 442 I HA -0.242 3.813 4.170 -0.191 0.000 0.248 442 I C 1.616 177.739 176.117 0.010 0.000 1.115 442 I CA 1.364 62.672 61.300 0.014 0.000 1.392 442 I CB -0.247 37.759 38.000 0.010 0.000 1.065 442 I HN 0.212 nan 8.210 nan 0.000 0.418 443 E N 0.266 120.472 120.200 0.009 0.000 2.338 443 E HA -0.158 4.078 4.350 -0.191 0.000 0.197 443 E C 1.802 178.406 176.600 0.007 0.000 1.007 443 E CA 0.573 56.977 56.400 0.007 0.000 0.849 443 E CB 0.051 29.755 29.700 0.007 0.000 0.774 443 E HN 0.362 nan 8.360 nan 0.000 0.506 444 R N 0.160 120.665 120.500 0.009 0.000 2.397 444 R HA 0.098 4.324 4.340 -0.191 0.000 0.241 444 R C -0.024 176.281 176.300 0.009 0.000 0.914 444 R CA -0.057 56.048 56.100 0.009 0.000 1.071 444 R CB 0.385 30.692 30.300 0.011 0.000 1.116 444 R HN -0.026 nan 8.270 nan 0.000 0.524 445 N N 1.619 120.324 118.700 0.010 0.000 2.740 445 N HA -0.195 4.430 4.740 -0.191 0.000 0.248 445 N C -1.536 173.982 175.510 0.013 0.000 1.062 445 N CA 0.943 53.999 53.050 0.010 0.000 0.704 445 N CB -0.724 37.766 38.487 0.006 0.000 0.968 445 N HN 0.413 nan 8.380 nan 0.000 0.547 446 E N -0.170 120.040 120.200 0.017 0.000 2.256 446 E HA 0.498 4.734 4.350 -0.191 0.000 0.267 446 E C -0.103 176.514 176.600 0.028 0.000 0.892 446 E CA -0.990 55.423 56.400 0.021 0.000 0.775 446 E CB 1.288 30.999 29.700 0.019 0.000 1.207 446 E HN 0.112 nan 8.360 nan 0.000 0.420 447 R N 0.620 121.140 120.500 0.034 0.000 2.607 447 R HA 0.634 4.859 4.340 -0.191 0.000 0.261 447 R C -0.584 175.742 176.300 0.043 0.000 1.051 447 R CA -0.904 55.223 56.100 0.044 0.000 1.110 447 R CB 0.849 31.180 30.300 0.053 0.000 1.158 447 R HN 0.258 nan 8.270 nan 0.000 0.543 448 V N 1.991 121.934 119.914 0.049 0.000 2.709 448 V HA 0.450 4.456 4.120 -0.191 0.000 0.308 448 V C -0.148 175.976 176.094 0.051 0.000 1.062 448 V CA -0.846 61.483 62.300 0.048 0.000 0.901 448 V CB 2.209 34.061 31.823 0.048 0.000 1.003 448 V HN 0.434 nan 8.190 nan 0.000 0.425 449 L N 4.516 125.769 121.223 0.050 0.000 2.329 449 L HA 0.815 5.040 4.340 -0.191 0.000 0.279 449 L C -0.622 176.281 176.870 0.056 0.000 1.014 449 L CA -0.866 54.005 54.840 0.051 0.000 0.814 449 L CB 1.977 44.066 42.059 0.050 0.000 1.257 449 L HN 0.550 nan 8.230 nan 0.000 0.424 450 V N 1.366 121.313 119.914 0.056 0.000 2.623 450 V HA 0.537 4.542 4.120 -0.191 0.000 0.304 450 V C -0.588 175.541 176.094 0.059 0.000 1.054 450 V CA -0.114 62.222 62.300 0.061 0.000 0.882 450 V CB 2.112 33.970 31.823 0.058 0.000 1.002 450 V HN 0.818 nan 8.190 nan 0.000 0.424 451 T N 4.678 119.271 114.554 0.064 0.000 2.771 451 T HA 0.656 4.892 4.350 -0.191 0.000 0.281 451 T C -0.081 174.652 174.700 0.055 0.000 0.982 451 T CA 0.041 62.178 62.100 0.063 0.000 0.978 451 T CB 0.962 69.867 68.868 0.062 0.000 0.930 451 T HN 0.980 nan 8.240 nan 0.000 0.447 452 T N 5.135 119.716 114.554 0.046 0.000 2.940 452 T HA 0.437 4.673 4.350 -0.191 0.000 0.288 452 T C 1.473 176.199 174.700 0.044 0.000 1.033 452 T CA -0.786 61.331 62.100 0.028 0.000 1.033 452 T CB 1.320 70.184 68.868 -0.007 0.000 1.079 452 T HN 0.579 nan 8.240 nan 0.000 0.496 453 L N 1.120 122.364 121.223 0.036 0.000 2.240 453 L HA 0.097 4.323 4.340 -0.191 0.000 0.211 453 L C 1.299 178.199 176.870 0.050 0.000 1.106 453 L CA 0.774 55.643 54.840 0.048 0.000 0.793 453 L CB -0.165 41.916 42.059 0.038 0.000 0.927 453 L HN 0.757 nan 8.230 nan 0.000 0.446 454 T N -6.015 108.557 114.554 0.031 0.000 2.916 454 T HA 0.458 4.693 4.350 -0.191 0.000 0.292 454 T C 0.811 175.528 174.700 0.028 0.000 1.055 454 T CA -0.158 61.960 62.100 0.030 0.000 1.009 454 T CB 2.106 70.980 68.868 0.010 0.000 1.118 454 T HN -0.040 nan 8.240 nan 0.000 0.497 455 K N 0.775 121.211 120.400 0.060 0.000 2.020 455 K HA -0.080 4.126 4.320 -0.191 0.000 0.212 455 K C 2.705 179.286 176.600 -0.033 0.000 1.050 455 K CA 2.859 59.197 56.287 0.084 0.000 0.929 455 K CB -1.985 30.585 32.500 0.117 0.000 0.714 455 K HN 1.007 nan 8.250 nan 0.000 0.443 456 K N 0.273 120.658 120.400 -0.025 0.000 2.032 456 K HA -0.023 4.182 4.320 -0.191 0.000 0.209 456 K C 2.365 178.911 176.600 -0.090 0.000 1.048 456 K CA 2.317 58.574 56.287 -0.051 0.000 0.927 456 K CB -0.723 31.759 32.500 -0.030 0.000 0.712 456 K HN 0.667 nan 8.250 nan 0.000 0.441 457 M N 0.758 120.308 119.600 -0.083 0.000 2.175 457 M HA -0.070 4.296 4.480 -0.191 0.000 0.264 457 M C 2.301 178.511 176.300 -0.151 0.000 1.063 457 M CA 2.076 57.318 55.300 -0.096 0.000 1.119 457 M CB 0.054 32.615 32.600 -0.066 0.000 1.377 457 M HN 0.336 nan 8.290 nan 0.000 0.415 458 S N 0.682 116.253 115.700 -0.215 0.000 2.356 458 S HA -0.177 4.179 4.470 -0.191 0.000 0.223 458 S C 1.709 175.960 174.600 -0.580 0.000 1.032 458 S CA 1.879 59.845 58.200 -0.390 0.000 1.005 458 S CB -0.518 62.386 63.200 -0.493 0.000 0.867 458 S HN 0.628 nan 8.310 nan 0.000 0.449 459 E N 1.023 120.880 120.200 -0.572 0.000 2.072 459 E HA -0.116 4.119 4.350 -0.191 0.000 0.190 459 E C 1.648 178.138 176.600 -0.183 0.000 0.982 459 E CA 1.087 57.247 56.400 -0.400 0.000 0.803 459 E CB -0.171 29.404 29.700 -0.209 0.000 0.755 459 E HN 0.345 nan 8.360 nan 0.000 0.453 460 D N 0.953 121.271 120.400 -0.137 0.000 2.092 460 D HA -0.170 4.356 4.640 -0.191 0.000 0.193 460 D C 1.997 178.277 176.300 -0.032 0.000 0.994 460 D CA 0.815 54.770 54.000 -0.074 0.000 0.828 460 D CB -0.318 40.434 40.800 -0.080 0.000 0.963 460 D HN 0.067 nan 8.370 nan 0.000 0.450 461 L N 0.680 121.870 121.223 -0.054 0.000 2.056 461 L HA -0.102 4.123 4.340 -0.191 0.000 0.207 461 L C 2.115 178.994 176.870 0.015 0.000 1.078 461 L CA 1.741 56.589 54.840 0.012 0.000 0.749 461 L CB -0.951 41.094 42.059 -0.023 0.000 0.901 461 L HN -0.068 nan 8.230 nan 0.000 0.433 462 T N -0.104 114.412 114.554 -0.064 0.000 2.652 462 T HA -0.186 4.049 4.350 -0.191 0.000 0.267 462 T C 1.498 176.198 174.700 -0.000 0.000 1.039 462 T CA 1.718 63.790 62.100 -0.046 0.000 1.153 462 T CB -0.423 68.392 68.868 -0.088 0.000 0.863 462 T HN 0.411 nan 8.240 nan 0.000 0.428 463 D N -0.057 120.346 120.400 0.006 0.000 2.133 463 D HA -0.103 4.423 4.640 -0.191 0.000 0.195 463 D C 1.715 178.069 176.300 0.090 0.000 0.997 463 D CA 1.049 55.074 54.000 0.041 0.000 0.840 463 D CB -0.424 40.397 40.800 0.035 0.000 0.947 463 D HN 0.426 nan 8.370 nan 0.000 0.452 464 Y N 1.285 121.564 120.300 -0.035 0.000 2.200 464 Y HA -0.077 4.358 4.550 -0.191 0.000 0.290 464 Y C 2.187 178.077 175.900 -0.017 0.000 1.137 464 Y CA 0.985 59.069 58.100 -0.027 0.000 1.163 464 Y CB -0.534 37.904 38.460 -0.037 0.000 0.988 464 Y HN -0.084 nan 8.280 nan 0.000 0.518 465 L N 0.076 121.232 121.223 -0.111 0.000 2.013 465 L HA -0.302 3.923 4.340 -0.191 0.000 0.212 465 L C 2.499 179.299 176.870 -0.117 0.000 1.073 465 L CA 2.014 56.755 54.840 -0.166 0.000 0.753 465 L CB -0.579 41.444 42.059 -0.060 0.000 0.890 465 L HN 0.172 nan 8.230 nan 0.000 0.432 466 K N -0.024 120.349 120.400 -0.044 0.000 2.026 466 K HA -0.204 4.001 4.320 -0.191 0.000 0.208 466 K C 2.315 178.895 176.600 -0.033 0.000 1.048 466 K CA 1.762 58.040 56.287 -0.015 0.000 0.929 466 K CB -0.334 32.177 32.500 0.019 0.000 0.713 466 K HN 0.400 nan 8.250 nan 0.000 0.439 467 E N 1.132 121.311 120.200 -0.035 0.000 2.219 467 E HA -0.172 4.063 4.350 -0.191 0.000 0.198 467 E C 1.605 178.159 176.600 -0.077 0.000 0.998 467 E CA 1.417 57.800 56.400 -0.028 0.000 0.818 467 E CB -0.600 29.117 29.700 0.029 0.000 0.741 467 E HN 0.153 nan 8.360 nan 0.000 0.477 468 I N -0.693 119.779 120.570 -0.163 0.000 3.578 468 I HA 0.283 4.338 4.170 -0.191 0.000 0.295 468 I C 2.128 178.182 176.117 -0.105 0.000 1.280 468 I CA 0.876 62.063 61.300 -0.188 0.000 1.347 468 I CB -0.411 37.386 38.000 -0.339 0.000 1.051 468 I HN 0.462 nan 8.210 nan 0.000 0.460 469 G N 1.213 109.971 108.800 -0.070 0.000 2.175 469 G HA2 -0.235 3.611 3.960 -0.191 0.000 0.244 469 G HA3 -0.235 3.611 3.960 -0.191 0.000 0.244 469 G C 0.466 175.349 174.900 -0.028 0.000 0.982 469 G CA -0.252 44.825 45.100 -0.038 0.000 0.641 469 G HN 0.330 nan 8.290 nan 0.000 0.527 470 I N 0.758 121.303 120.570 -0.042 0.000 2.519 470 I HA 0.257 4.312 4.170 -0.191 0.000 0.287 470 I C 0.600 176.733 176.117 0.027 0.000 1.047 470 I CA -0.225 61.065 61.300 -0.016 0.000 1.381 470 I CB 1.004 38.981 38.000 -0.038 0.000 1.417 470 I HN -0.034 nan 8.210 nan 0.000 0.540 471 K N 4.971 125.408 120.400 0.062 0.000 2.285 471 K HA 0.538 4.744 4.320 -0.191 0.000 0.286 471 K C -1.083 175.653 176.600 0.226 0.000 1.072 471 K CA -0.210 56.163 56.287 0.144 0.000 0.913 471 K CB 1.147 33.713 32.500 0.109 0.000 1.067 471 K HN 0.289 nan 8.250 nan 0.000 0.479 472 V N 2.206 122.269 119.914 0.247 0.000 3.147 472 V HA 0.382 4.388 4.120 -0.191 0.000 0.306 472 V C -1.193 174.769 176.094 -0.221 0.000 1.209 472 V CA -1.110 61.224 62.300 0.055 0.000 1.023 472 V CB 2.499 34.331 31.823 0.015 0.000 1.059 472 V HN 0.765 nan 8.190 nan 0.000 0.435 473 N N 0.391 118.834 118.700 -0.427 0.000 2.310 473 N HA 0.375 5.000 4.740 -0.191 0.000 0.292 473 N C -1.502 173.927 175.510 -0.135 0.000 1.049 473 N CA -0.590 52.163 53.050 -0.494 0.000 0.849 473 N CB 1.765 39.635 38.487 -1.028 0.000 1.532 473 N HN 0.806 nan 8.380 nan 0.000 0.479 474 Y N 4.076 124.276 120.300 -0.168 0.000 2.486 474 Y HA 0.311 4.746 4.550 -0.192 0.000 0.348 474 Y C -0.401 175.449 175.900 -0.083 0.000 1.000 474 Y CA -0.968 57.076 58.100 -0.092 0.000 1.253 474 Y CB 0.502 38.930 38.460 -0.054 0.000 1.140 474 Y HN 0.445 nan 8.280 nan 0.000 0.526 475 L N 7.600 128.853 121.223 0.050 0.000 2.451 475 L HA 0.100 4.326 4.340 -0.191 0.000 0.272 475 L C 1.046 177.709 176.870 -0.345 0.000 1.258 475 L CA 0.754 55.527 54.840 -0.112 0.000 1.132 475 L CB -1.451 40.609 42.059 0.002 0.000 1.361 475 L HN 0.798 nan 8.230 nan 0.000 0.438 476 H N 0.158 118.785 119.070 -0.737 0.000 2.790 476 H HA 0.217 4.659 4.556 -0.191 0.000 0.358 476 H C 1.361 176.508 175.328 -0.302 0.000 1.103 476 H CA 0.274 55.841 56.048 -0.803 0.000 1.426 476 H CB 0.362 29.691 29.762 -0.721 0.000 1.424 476 H HN 0.626 nan 8.280 nan 0.000 0.599 477 S N 1.630 117.223 115.700 -0.179 0.000 2.419 477 S HA -0.062 4.294 4.470 -0.191 0.000 0.233 477 S C 2.167 176.726 174.600 -0.068 0.000 1.016 477 S CA 1.118 59.274 58.200 -0.073 0.000 0.974 477 S CB 0.052 63.236 63.200 -0.027 0.000 0.786 477 S HN 0.991 nan 8.310 nan 0.000 0.492 478 E N 0.508 120.654 120.200 -0.089 0.000 2.437 478 E HA 0.343 4.578 4.350 -0.191 0.000 0.189 478 E C 0.343 176.901 176.600 -0.070 0.000 1.054 478 E CA -0.135 56.224 56.400 -0.068 0.000 0.874 478 E CB -0.589 29.073 29.700 -0.064 0.000 1.011 478 E HN 0.574 nan 8.360 nan 0.000 0.474 479 I N 1.873 122.392 120.570 -0.085 0.000 2.452 479 I HA 0.355 4.410 4.170 -0.191 0.000 0.287 479 I C 1.088 177.186 176.117 -0.032 0.000 1.079 479 I CA -0.278 60.983 61.300 -0.066 0.000 1.387 479 I CB 1.194 39.143 38.000 -0.086 0.000 1.404 479 I HN 0.323 nan 8.210 nan 0.000 0.522 480 K N 3.745 124.135 120.400 -0.018 0.000 2.219 480 K HA 0.193 4.398 4.320 -0.191 0.000 0.258 480 K C 0.941 177.548 176.600 0.012 0.000 1.008 480 K CA -0.160 56.127 56.287 0.000 0.000 0.928 480 K CB -0.057 32.446 32.500 0.004 0.000 0.983 480 K HN 0.706 nan 8.250 nan 0.000 0.484 481 T N 1.805 116.374 114.554 0.024 0.000 2.881 481 T HA -0.109 4.126 4.350 -0.191 0.000 0.270 481 T C 1.866 176.587 174.700 0.034 0.000 1.068 481 T CA 0.838 62.958 62.100 0.033 0.000 1.131 481 T CB -0.077 68.817 68.868 0.042 0.000 0.871 481 T HN 0.439 nan 8.240 nan 0.000 0.479 482 L N 0.947 122.190 121.223 0.033 0.000 2.046 482 L HA -0.064 4.161 4.340 -0.191 0.000 0.208 482 L C 2.581 179.472 176.870 0.034 0.000 1.077 482 L CA 1.861 56.722 54.840 0.035 0.000 0.747 482 L CB -0.802 41.278 42.059 0.036 0.000 0.896 482 L HN 0.425 nan 8.230 nan 0.000 0.432 483 E N -0.232 119.984 120.200 0.027 0.000 2.076 483 E HA -0.194 4.041 4.350 -0.191 0.000 0.190 483 E C 2.365 178.982 176.600 0.029 0.000 0.979 483 E CA 1.184 57.601 56.400 0.027 0.000 0.807 483 E CB 0.220 29.928 29.700 0.013 0.000 0.761 483 E HN 0.352 nan 8.360 nan 0.000 0.454 484 R N 1.160 121.673 120.500 0.021 0.000 2.112 484 R HA -0.188 4.037 4.340 -0.191 0.000 0.242 484 R C 2.196 178.520 176.300 0.041 0.000 1.137 484 R CA 2.089 58.204 56.100 0.024 0.000 0.944 484 R CB -1.815 28.500 30.300 0.025 0.000 0.857 484 R HN 0.319 nan 8.270 nan 0.000 0.435 485 I N 0.534 121.130 120.570 0.043 0.000 2.361 485 I HA -0.255 3.800 4.170 -0.191 0.000 0.251 485 I C 2.566 178.715 176.117 0.054 0.000 1.133 485 I CA 1.753 63.081 61.300 0.048 0.000 1.413 485 I CB -0.312 37.714 38.000 0.043 0.000 1.073 485 I HN 0.514 nan 8.210 nan 0.000 0.424 486 E N 0.976 121.210 120.200 0.057 0.000 2.047 486 E HA -0.189 4.046 4.350 -0.191 0.000 0.191 486 E C 2.345 179.004 176.600 0.097 0.000 0.987 486 E CA 1.275 57.715 56.400 0.067 0.000 0.799 486 E CB -0.105 29.634 29.700 0.065 0.000 0.752 486 E HN 0.469 nan 8.360 nan 0.000 0.449 487 I N 0.998 121.632 120.570 0.106 0.000 2.208 487 I HA -0.296 3.759 4.170 -0.191 0.000 0.245 487 I C 2.329 178.545 176.117 0.165 0.000 1.097 487 I CA 1.114 62.509 61.300 0.158 0.000 1.363 487 I CB -0.192 37.847 38.000 0.067 0.000 1.051 487 I HN 0.102 nan 8.210 nan 0.000 0.413 488 I N 0.445 121.076 120.570 0.102 0.000 2.179 488 I HA -0.327 3.728 4.170 -0.191 0.000 0.242 488 I C 3.236 179.407 176.117 0.089 0.000 1.088 488 I CA 1.619 62.974 61.300 0.091 0.000 1.357 488 I CB -0.664 37.376 38.000 0.066 0.000 1.051 488 I HN 0.186 nan 8.210 nan 0.000 0.409 489 R N 0.555 121.099 120.500 0.074 0.000 2.096 489 R HA -0.247 3.979 4.340 -0.191 0.000 0.240 489 R C 1.826 178.160 176.300 0.057 0.000 1.139 489 R CA 2.326 58.459 56.100 0.055 0.000 0.952 489 R CB -1.798 28.528 30.300 0.043 0.000 0.854 489 R HN 0.383 nan 8.270 nan 0.000 0.436 490 D N 0.104 120.555 120.400 0.086 0.000 2.178 490 D HA -0.092 4.433 4.640 -0.191 0.000 0.201 490 D C 1.967 178.317 176.300 0.084 0.000 0.980 490 D CA 1.363 55.394 54.000 0.052 0.000 0.842 490 D CB -0.171 40.664 40.800 0.059 0.000 0.948 490 D HN 0.337 nan 8.370 nan 0.000 0.472 491 L N 1.198 122.538 121.223 0.195 0.000 2.005 491 L HA -0.119 4.106 4.340 -0.191 0.000 0.207 491 L C 2.284 179.207 176.870 0.088 0.000 1.072 491 L CA 1.550 56.498 54.840 0.179 0.000 0.744 491 L CB -0.203 41.956 42.059 0.166 0.000 0.895 491 L HN -0.170 nan 8.230 nan 0.000 0.433 492 R N -0.436 120.104 120.500 0.067 0.000 2.113 492 R HA -0.206 4.019 4.340 -0.191 0.000 0.244 492 R C 2.236 178.549 176.300 0.021 0.000 1.142 492 R CA 2.049 58.172 56.100 0.039 0.000 0.953 492 R CB -0.916 29.404 30.300 0.033 0.000 0.860 492 R HN 0.412 nan 8.270 nan 0.000 0.438 493 L N -0.501 120.728 121.223 0.010 0.000 2.353 493 L HA -0.036 4.189 4.340 -0.191 0.000 0.220 493 L C 1.442 178.299 176.870 -0.023 0.000 1.133 493 L CA 0.987 55.819 54.840 -0.013 0.000 0.798 493 L CB -0.370 41.671 42.059 -0.030 0.000 0.922 493 L HN 0.585 nan 8.230 nan 0.000 0.445 494 G N -0.339 108.453 108.800 -0.014 0.000 2.136 494 G HA2 -0.311 3.534 3.960 -0.191 0.000 0.242 494 G HA3 -0.311 3.534 3.960 -0.191 0.000 0.242 494 G C 1.043 175.898 174.900 -0.075 0.000 0.989 494 G CA 0.563 45.652 45.100 -0.019 0.000 0.682 494 G HN 0.296 nan 8.290 nan 0.000 0.522 495 K N -0.901 119.403 120.400 -0.160 0.000 2.097 495 K HA -0.017 4.188 4.320 -0.191 0.000 0.206 495 K C 0.378 176.658 176.600 -0.534 0.000 1.049 495 K CA 1.015 57.085 56.287 -0.361 0.000 0.933 495 K CB -0.053 32.146 32.500 -0.501 0.000 0.717 495 K HN 0.550 nan 8.250 nan 0.000 0.442 496 Y N -0.161 120.149 120.300 0.016 0.000 2.446 496 Y HA 0.147 4.581 4.550 -0.193 0.000 0.338 496 Y C 0.715 176.624 175.900 0.016 0.000 1.055 496 Y CA -1.082 57.029 58.100 0.018 0.000 1.101 496 Y CB 1.702 40.178 38.460 0.026 0.000 1.221 496 Y HN -0.070 nan 8.280 nan 0.000 0.460 497 D N 0.932 121.444 120.400 0.186 0.000 2.366 497 D HA 0.130 4.655 4.640 -0.191 0.000 0.205 497 D C -0.522 175.837 176.300 0.099 0.000 1.022 497 D CA 0.824 54.890 54.000 0.109 0.000 0.868 497 D CB 1.039 41.879 40.800 0.067 0.000 0.953 497 D HN 0.141 nan 8.370 nan 0.000 0.514 498 V N 1.560 121.540 119.914 0.110 0.000 2.808 498 V HA 0.357 4.362 4.120 -0.191 0.000 0.308 498 V C -0.502 175.613 176.094 0.035 0.000 1.099 498 V CA -0.795 61.544 62.300 0.064 0.000 0.920 498 V CB 2.944 34.793 31.823 0.044 0.000 1.014 498 V HN -0.102 nan 8.190 nan 0.000 0.425 499 L N 4.158 125.398 121.223 0.028 0.000 2.322 499 L HA 0.714 4.940 4.340 -0.191 0.000 0.281 499 L C -0.779 176.110 176.870 0.031 0.000 1.014 499 L CA -0.872 53.971 54.840 0.004 0.000 0.815 499 L CB 2.047 44.114 42.059 0.013 0.000 1.247 499 L HN 0.392 nan 8.230 nan 0.000 0.421 500 V N 1.856 121.796 119.914 0.043 0.000 2.417 500 V HA 0.850 4.856 4.120 -0.191 0.000 0.291 500 V C 0.382 176.570 176.094 0.156 0.000 1.024 500 V CA -0.390 61.950 62.300 0.065 0.000 0.861 500 V CB 1.395 33.224 31.823 0.010 0.000 0.985 500 V HN 0.920 nan 8.190 nan 0.000 0.436 501 G N 2.552 111.433 108.800 0.135 0.000 2.690 501 G HA2 0.632 4.477 3.960 -0.191 0.000 0.291 501 G HA3 0.632 4.477 3.960 -0.191 0.000 0.291 501 G C 0.064 175.049 174.900 0.142 0.000 1.403 501 G CA -0.587 44.619 45.100 0.175 0.000 0.864 501 G HN 0.509 nan 8.290 nan 0.000 0.480 502 I N -0.172 120.495 120.570 0.161 0.000 2.270 502 I HA 0.035 4.090 4.170 -0.191 0.000 0.239 502 I C 0.780 176.970 176.117 0.122 0.000 1.080 502 I CA 0.417 61.795 61.300 0.129 0.000 1.383 502 I CB 0.132 38.213 38.000 0.136 0.000 1.097 502 I HN 0.295 nan 8.210 nan 0.000 0.420 503 N N 1.337 120.114 118.700 0.129 0.000 2.457 503 N HA 0.246 4.871 4.740 -0.191 0.000 0.250 503 N C 0.043 175.619 175.510 0.110 0.000 0.982 503 N CA 0.043 53.177 53.050 0.139 0.000 0.941 503 N CB 1.257 39.848 38.487 0.174 0.000 1.120 503 N HN 0.142 nan 8.380 nan 0.000 0.505 504 L N 3.413 124.693 121.223 0.095 0.000 2.592 504 L HA 0.202 4.427 4.340 -0.191 0.000 0.227 504 L C 1.240 178.162 176.870 0.088 0.000 1.127 504 L CA 0.177 55.066 54.840 0.082 0.000 0.884 504 L CB 0.131 42.230 42.059 0.067 0.000 1.065 504 L HN 0.480 nan 8.230 nan 0.000 0.457 505 L N 0.315 121.602 121.223 0.107 0.000 2.612 505 L HA 0.085 4.310 4.340 -0.191 0.000 0.230 505 L C 1.531 178.485 176.870 0.140 0.000 1.140 505 L CA -0.294 54.621 54.840 0.124 0.000 0.896 505 L CB -0.873 41.269 42.059 0.138 0.000 1.065 505 L HN 0.254 nan 8.230 nan 0.000 0.447 506 R N 1.278 121.850 120.500 0.120 0.000 2.543 506 R HA 0.114 4.339 4.340 -0.191 0.000 0.277 506 R C 0.313 176.679 176.300 0.110 0.000 1.074 506 R CA -0.534 55.635 56.100 0.115 0.000 1.076 506 R CB -0.112 30.240 30.300 0.086 0.000 0.993 506 R HN 0.198 nan 8.270 nan 0.000 0.459 507 E N 1.016 121.286 120.200 0.117 0.000 2.694 507 E HA 0.195 4.431 4.350 -0.191 0.000 0.250 507 E C 1.152 177.798 176.600 0.076 0.000 0.963 507 E CA 1.883 58.342 56.400 0.098 0.000 0.949 507 E CB -0.309 29.437 29.700 0.076 0.000 0.911 507 E HN 1.345 nan 8.360 nan 0.000 0.500 508 G N 3.752 112.598 108.800 0.076 0.000 2.135 508 G HA2 -0.229 3.617 3.960 -0.191 0.000 0.183 508 G HA3 -0.229 3.617 3.960 -0.191 0.000 0.183 508 G C 0.405 175.343 174.900 0.063 0.000 1.004 508 G CA 0.111 45.250 45.100 0.064 0.000 0.677 508 G HN 0.516 nan 8.290 nan 0.000 0.512 509 L N 0.527 121.791 121.223 0.069 0.000 2.653 509 L HA 0.324 4.549 4.340 -0.191 0.000 0.231 509 L C 0.285 177.190 176.870 0.059 0.000 1.153 509 L CA -0.072 54.806 54.840 0.063 0.000 0.933 509 L CB 0.412 42.511 42.059 0.067 0.000 1.175 509 L HN 0.072 nan 8.230 nan 0.000 0.473 510 D N 1.990 122.425 120.400 0.058 0.000 2.441 510 D HA 0.314 4.839 4.640 -0.191 0.000 0.221 510 D C -0.357 175.969 176.300 0.043 0.000 1.156 510 D CA 0.228 54.258 54.000 0.051 0.000 0.896 510 D CB 1.111 41.944 40.800 0.055 0.000 1.028 510 D HN 0.136 nan 8.370 nan 0.000 0.509 511 I N 0.385 120.978 120.570 0.039 0.000 2.533 511 I HA 0.377 4.432 4.170 -0.191 0.000 0.290 511 I C -2.352 173.782 176.117 0.029 0.000 1.056 511 I CA -2.657 58.664 61.300 0.035 0.000 1.057 511 I CB 3.158 41.182 38.000 0.041 0.000 1.240 511 I HN -0.163 nan 8.210 nan 0.000 0.423 512 P HA -0.051 nan 4.420 nan 0.000 0.222 512 P C 0.682 177.993 177.300 0.018 0.000 1.147 512 P CA 1.205 64.315 63.100 0.018 0.000 0.790 512 P CB 0.257 31.964 31.700 0.012 0.000 0.780 513 E N -1.066 119.147 120.200 0.022 0.000 2.358 513 E HA -0.013 4.222 4.350 -0.191 0.000 0.195 513 E C 0.318 176.934 176.600 0.027 0.000 1.010 513 E CA 0.231 56.645 56.400 0.023 0.000 0.856 513 E CB -0.413 29.302 29.700 0.025 0.000 0.795 513 E HN 0.032 nan 8.360 nan 0.000 0.504 514 V N 2.052 121.984 119.914 0.030 0.000 2.439 514 V HA -0.020 3.985 4.120 -0.191 0.000 0.271 514 V C 1.161 177.270 176.094 0.026 0.000 1.040 514 V CA 0.765 63.084 62.300 0.032 0.000 1.002 514 V CB 1.057 32.902 31.823 0.036 0.000 1.000 514 V HN 0.280 nan 8.190 nan 0.000 0.477 515 S N 4.808 120.523 115.700 0.025 0.000 2.523 515 S HA 0.299 4.655 4.470 -0.191 0.000 0.217 515 S C -0.103 174.509 174.600 0.020 0.000 0.996 515 S CA -0.148 58.064 58.200 0.020 0.000 0.921 515 S CB 0.270 63.481 63.200 0.018 0.000 0.829 515 S HN 0.481 nan 8.310 nan 0.000 0.495 516 L N 1.513 122.751 121.223 0.026 0.000 2.470 516 L HA 0.722 4.947 4.340 -0.191 0.000 0.268 516 L C -1.602 175.288 176.870 0.034 0.000 0.964 516 L CA -0.734 54.122 54.840 0.027 0.000 0.839 516 L CB 2.180 44.259 42.059 0.033 0.000 1.276 516 L HN 0.002 nan 8.230 nan 0.000 0.403 517 V N 4.488 124.420 119.914 0.029 0.000 2.448 517 V HA 0.888 4.893 4.120 -0.191 0.000 0.295 517 V C 0.092 176.211 176.094 0.043 0.000 1.025 517 V CA -0.221 62.101 62.300 0.036 0.000 0.859 517 V CB 1.421 33.261 31.823 0.028 0.000 0.988 517 V HN 0.989 nan 8.190 nan 0.000 0.431 518 A N 6.454 129.317 122.820 0.073 0.000 2.318 518 A HA 0.871 5.077 4.320 -0.191 0.000 0.324 518 A C -0.648 177.012 177.584 0.127 0.000 1.170 518 A CA -0.492 51.616 52.037 0.118 0.000 0.810 518 A CB 0.647 19.773 19.000 0.210 0.000 1.198 518 A HN 0.787 nan 8.150 nan 0.000 0.484 519 I N 3.997 124.644 120.570 0.128 0.000 2.371 519 I HA 0.216 4.271 4.170 -0.191 0.000 0.282 519 I C -0.566 175.664 176.117 0.188 0.000 1.031 519 I CA -0.210 61.156 61.300 0.110 0.000 1.180 519 I CB 0.891 38.919 38.000 0.047 0.000 1.336 519 I HN 0.510 nan 8.210 nan 0.000 0.467 520 L N 5.493 126.819 121.223 0.171 0.000 2.426 520 L HA 0.185 4.410 4.340 -0.191 0.000 0.271 520 L C 0.656 177.585 176.870 0.097 0.000 1.169 520 L CA 0.020 54.948 54.840 0.146 0.000 0.836 520 L CB 0.116 42.200 42.059 0.043 0.000 1.112 520 L HN 0.634 nan 8.230 nan 0.000 0.465 521 D N 1.807 122.264 120.400 0.096 0.000 2.800 521 D HA -0.212 4.313 4.640 -0.191 0.000 0.232 521 D C 1.213 177.544 176.300 0.051 0.000 1.137 521 D CA 0.864 54.900 54.000 0.060 0.000 0.718 521 D CB -0.223 40.599 40.800 0.037 0.000 1.084 521 D HN 0.813 nan 8.370 nan 0.000 0.432 522 A N 0.733 123.588 122.820 0.059 0.000 2.076 522 A HA -0.216 3.990 4.320 -0.191 0.000 0.220 522 A C 1.651 179.243 177.584 0.014 0.000 1.160 522 A CA 1.966 54.020 52.037 0.029 0.000 0.653 522 A CB -0.025 18.985 19.000 0.017 0.000 0.801 522 A HN 0.386 nan 8.150 nan 0.000 0.455 523 D N -1.578 118.834 120.400 0.020 0.000 2.342 523 D HA 0.044 4.569 4.640 -0.191 0.000 0.221 523 D C 0.739 177.046 176.300 0.012 0.000 1.101 523 D CA 0.141 54.148 54.000 0.012 0.000 0.837 523 D CB 0.012 40.821 40.800 0.014 0.000 0.938 523 D HN 0.128 nan 8.370 nan 0.000 0.508 524 K N 0.715 121.124 120.400 0.015 0.000 2.417 524 K HA 0.077 4.282 4.320 -0.191 0.000 0.196 524 K C 0.623 177.232 176.600 0.016 0.000 1.023 524 K CA -0.204 56.093 56.287 0.017 0.000 1.122 524 K CB 0.338 32.851 32.500 0.023 0.000 0.850 524 K HN 0.102 nan 8.250 nan 0.000 0.521 525 E N -0.186 120.018 120.200 0.007 0.000 3.374 525 E HA -0.335 3.900 4.350 -0.191 0.000 0.375 525 E C 0.921 177.530 176.600 0.015 0.000 1.535 525 E CA 1.962 58.364 56.400 0.003 0.000 1.664 525 E CB -1.424 28.280 29.700 0.006 0.000 1.707 525 E HN 0.376 nan 8.360 nan 0.000 0.469 526 G N 0.145 108.966 108.800 0.034 0.000 2.569 526 G HA2 -0.341 3.504 3.960 -0.191 0.000 0.259 526 G HA3 -0.341 3.504 3.960 -0.191 0.000 0.259 526 G C 0.366 175.325 174.900 0.099 0.000 1.263 526 G CA 1.285 46.429 45.100 0.073 0.000 0.928 526 G HN 0.630 nan 8.290 nan 0.000 0.572 527 F N 0.559 120.516 119.950 0.012 0.000 2.149 527 F HA 0.308 4.720 4.527 -0.191 0.000 0.294 527 F C 2.622 178.434 175.800 0.020 0.000 1.095 527 F CA 1.902 59.911 58.000 0.015 0.000 1.276 527 F CB -0.246 38.763 39.000 0.015 0.000 1.023 527 F HN 0.250 nan 8.300 nan 0.000 0.480 528 L N 0.204 121.437 121.223 0.016 0.000 2.265 528 L HA -0.081 4.144 4.340 -0.191 0.000 0.215 528 L C 1.130 177.924 176.870 -0.126 0.000 1.117 528 L CA 0.783 55.580 54.840 -0.072 0.000 0.782 528 L CB -0.424 41.690 42.059 0.091 0.000 0.914 528 L HN 0.083 nan 8.230 nan 0.000 0.441 529 R N -0.485 119.958 120.500 -0.095 0.000 2.659 529 R HA 0.206 4.432 4.340 -0.191 0.000 0.418 529 R C 0.436 176.687 176.300 -0.083 0.000 1.076 529 R CA -0.069 55.989 56.100 -0.070 0.000 1.093 529 R CB 0.164 30.451 30.300 -0.022 0.000 1.400 529 R HN 0.223 nan 8.270 nan 0.000 0.583 530 S N -0.366 115.252 115.700 -0.138 0.000 2.608 530 S HA 0.070 4.425 4.470 -0.191 0.000 0.261 530 S C 1.295 175.827 174.600 -0.112 0.000 1.314 530 S CA -0.510 57.619 58.200 -0.118 0.000 0.992 530 S CB 1.894 65.002 63.200 -0.154 0.000 0.935 530 S HN 0.339 nan 8.310 nan 0.000 0.564 531 E N 1.220 121.371 120.200 -0.083 0.000 2.058 531 E HA -0.275 3.960 4.350 -0.191 0.000 0.194 531 E C 1.843 178.386 176.600 -0.095 0.000 0.997 531 E CA 1.404 57.760 56.400 -0.074 0.000 0.801 531 E CB -0.161 29.506 29.700 -0.055 0.000 0.746 531 E HN 0.717 nan 8.360 nan 0.000 0.450 532 R N 0.672 121.104 120.500 -0.113 0.000 2.094 532 R HA -0.077 4.149 4.340 -0.191 0.000 0.239 532 R C 2.678 178.884 176.300 -0.156 0.000 1.137 532 R CA 1.846 57.863 56.100 -0.139 0.000 0.943 532 R CB -1.081 29.149 30.300 -0.116 0.000 0.850 532 R HN 0.033 nan 8.270 nan 0.000 0.433 533 S N 0.612 116.180 115.700 -0.219 0.000 2.382 533 S HA -0.003 4.353 4.470 -0.191 0.000 0.228 533 S C 1.878 176.403 174.600 -0.125 0.000 1.027 533 S CA 1.008 59.074 58.200 -0.224 0.000 0.991 533 S CB -0.264 62.711 63.200 -0.376 0.000 0.823 533 S HN 0.156 nan 8.310 nan 0.000 0.469 534 L N 0.648 121.805 121.223 -0.110 0.000 2.027 534 L HA -0.093 4.132 4.340 -0.191 0.000 0.206 534 L C 2.180 179.017 176.870 -0.055 0.000 1.074 534 L CA 1.265 56.063 54.840 -0.070 0.000 0.745 534 L CB -0.529 41.493 42.059 -0.062 0.000 0.898 534 L HN 0.302 nan 8.230 nan 0.000 0.433 535 I N -0.838 119.693 120.570 -0.064 0.000 2.252 535 I HA -0.265 3.790 4.170 -0.191 0.000 0.245 535 I C 2.706 178.797 176.117 -0.042 0.000 1.102 535 I CA 0.947 62.215 61.300 -0.054 0.000 1.385 535 I CB -0.284 37.678 38.000 -0.064 0.000 1.064 535 I HN 0.321 nan 8.210 nan 0.000 0.414 536 Q N 0.107 119.878 119.800 -0.049 0.000 2.124 536 Q HA -0.147 4.078 4.340 -0.191 0.000 0.202 536 Q C 2.327 178.330 176.000 0.005 0.000 0.977 536 Q CA 1.894 57.688 55.803 -0.014 0.000 0.850 536 Q CB -0.687 28.053 28.738 0.004 0.000 0.901 536 Q HN 0.482 nan 8.270 nan 0.000 0.429 537 T N 1.554 116.104 114.554 -0.007 0.000 2.777 537 T HA -0.040 4.196 4.350 -0.191 0.000 0.266 537 T C 2.081 176.784 174.700 0.005 0.000 1.040 537 T CA 0.719 62.822 62.100 0.006 0.000 1.141 537 T CB -0.208 68.659 68.868 -0.001 0.000 0.868 537 T HN 0.149 nan 8.240 nan 0.000 0.444 538 I N 1.520 122.086 120.570 -0.007 0.000 2.194 538 I HA -0.186 3.869 4.170 -0.191 0.000 0.246 538 I C 2.839 178.956 176.117 0.001 0.000 1.093 538 I CA 1.435 62.731 61.300 -0.007 0.000 1.355 538 I CB -0.696 37.293 38.000 -0.017 0.000 1.046 538 I HN 0.325 nan 8.210 nan 0.000 0.413 539 G N 0.548 109.350 108.800 0.003 0.000 2.485 539 G HA2 -0.252 3.593 3.960 -0.191 0.000 0.221 539 G HA3 -0.252 3.593 3.960 -0.191 0.000 0.221 539 G C 1.660 176.572 174.900 0.020 0.000 1.115 539 G CA 0.476 45.583 45.100 0.011 0.000 0.751 539 G HN 0.190 nan 8.290 nan 0.000 0.567 540 R N 0.704 121.219 120.500 0.025 0.000 2.189 540 R HA 0.092 4.317 4.340 -0.191 0.000 0.223 540 R C 2.386 178.702 176.300 0.026 0.000 1.092 540 R CA 0.864 56.983 56.100 0.031 0.000 0.989 540 R CB -0.891 29.431 30.300 0.037 0.000 0.876 540 R HN 0.372 nan 8.270 nan 0.000 0.457 541 A N 0.126 122.958 122.820 0.018 0.000 2.275 541 A HA 0.348 4.553 4.320 -0.191 0.000 0.212 541 A C 1.618 179.209 177.584 0.010 0.000 1.201 541 A CA 0.600 52.645 52.037 0.015 0.000 0.843 541 A CB 0.096 19.102 19.000 0.010 0.000 0.873 541 A HN 0.192 nan 8.150 nan 0.000 0.492 542 A N -0.499 122.326 122.820 0.010 0.000 2.307 542 A HA 0.192 4.397 4.320 -0.191 0.000 0.218 542 A C 1.571 179.158 177.584 0.005 0.000 1.228 542 A CA -0.135 51.904 52.037 0.005 0.000 0.857 542 A CB -0.142 18.859 19.000 0.002 0.000 0.897 542 A HN 0.285 nan 8.150 nan 0.000 0.495 543 R N 0.317 120.822 120.500 0.010 0.000 2.334 543 R HA 0.160 4.386 4.340 -0.191 0.000 0.216 543 R C -0.237 176.067 176.300 0.007 0.000 0.905 543 R CA 0.018 56.124 56.100 0.009 0.000 1.064 543 R CB -0.057 30.252 30.300 0.016 0.000 1.046 543 R HN 0.475 nan 8.270 nan 0.000 0.508 544 N N -0.200 118.505 118.700 0.007 0.000 2.249 544 N HA 0.195 4.821 4.740 -0.191 0.000 0.296 544 N C -0.002 175.512 175.510 0.006 0.000 1.051 544 N CA -0.023 53.032 53.050 0.008 0.000 0.815 544 N CB 2.207 40.700 38.487 0.012 0.000 1.487 544 N HN -0.075 nan 8.380 nan 0.000 0.475 545 A N 2.309 125.132 122.820 0.006 0.000 2.172 545 A HA -0.023 4.183 4.320 -0.191 0.000 0.216 545 A C 0.863 178.451 177.584 0.007 0.000 1.154 545 A CA 1.163 53.204 52.037 0.006 0.000 0.701 545 A CB 0.025 19.029 19.000 0.006 0.000 0.789 545 A HN 0.734 nan 8.150 nan 0.000 0.465 546 E N -0.112 120.093 120.200 0.007 0.000 2.693 546 E HA 0.150 4.386 4.350 -0.191 0.000 0.214 546 E C 0.674 177.278 176.600 0.007 0.000 0.990 546 E CA 0.012 56.416 56.400 0.007 0.000 1.047 546 E CB 0.330 30.035 29.700 0.008 0.000 1.039 546 E HN 0.449 nan 8.360 nan 0.000 0.475 547 G N 1.576 110.380 108.800 0.007 0.000 2.391 547 G HA2 0.097 3.942 3.960 -0.191 0.000 0.234 547 G HA3 0.097 3.942 3.960 -0.191 0.000 0.234 547 G C 0.014 174.916 174.900 0.003 0.000 1.284 547 G CA 0.085 45.189 45.100 0.007 0.000 0.873 547 G HN 0.050 nan 8.290 nan 0.000 0.549 548 R N 0.281 120.783 120.500 0.002 0.000 2.604 548 R HA 0.454 4.679 4.340 -0.191 0.000 0.270 548 R C -1.357 174.938 176.300 -0.008 0.000 1.052 548 R CA -0.782 55.315 56.100 -0.005 0.000 0.902 548 R CB 2.608 32.904 30.300 -0.005 0.000 1.233 548 R HN 0.410 nan 8.270 nan 0.000 0.455 549 V N 3.985 123.886 119.914 -0.020 0.000 2.555 549 V HA 0.584 4.590 4.120 -0.191 0.000 0.302 549 V C -0.262 175.793 176.094 -0.065 0.000 1.038 549 V CA -0.716 61.566 62.300 -0.029 0.000 0.887 549 V CB 1.968 33.775 31.823 -0.027 0.000 0.991 549 V HN 0.565 nan 8.190 nan 0.000 0.434 550 I N 4.549 125.065 120.570 -0.090 0.000 2.465 550 I HA 0.530 4.586 4.170 -0.191 0.000 0.291 550 I C -0.401 175.566 176.117 -0.250 0.000 1.014 550 I CA -0.362 60.806 61.300 -0.219 0.000 1.093 550 I CB 1.929 39.742 38.000 -0.311 0.000 1.267 550 I HN 0.413 nan 8.210 nan 0.000 0.431 551 M N 5.900 125.327 119.600 -0.289 0.000 2.181 551 M HA 0.431 4.797 4.480 -0.191 0.000 0.323 551 M C -1.503 174.635 176.300 -0.270 0.000 1.004 551 M CA -0.565 54.629 55.300 -0.178 0.000 0.941 551 M CB 1.501 34.047 32.600 -0.090 0.000 1.579 551 M HN 0.347 nan 8.290 nan 0.000 0.427 552 Y N 2.041 122.342 120.300 0.000 0.000 2.327 552 Y HA 0.682 5.118 4.550 -0.191 0.000 0.336 552 Y C 0.259 176.158 175.900 -0.002 0.000 1.035 552 Y CA -0.484 57.616 58.100 0.000 0.000 1.165 552 Y CB 1.112 39.573 38.460 0.002 0.000 1.181 552 Y HN 0.728 nan 8.280 nan 0.000 0.494 553 A N 2.236 125.125 122.820 0.115 0.000 2.565 553 A HA 0.349 4.555 4.320 -0.191 0.000 0.298 553 A C -0.553 177.057 177.584 0.044 0.000 1.062 553 A CA -0.824 51.249 52.037 0.059 0.000 0.723 553 A CB 0.915 19.930 19.000 0.025 0.000 1.282 553 A HN 0.651 nan 8.150 nan 0.000 0.400 554 D N 0.783 121.205 120.400 0.035 0.000 2.348 554 D HA 0.093 4.618 4.640 -0.191 0.000 0.211 554 D C 0.422 176.730 176.300 0.014 0.000 0.998 554 D CA 1.359 55.374 54.000 0.024 0.000 0.873 554 D CB 0.343 41.156 40.800 0.021 0.000 0.925 554 D HN 0.713 nan 8.370 nan 0.000 0.524 555 K N -0.596 119.811 120.400 0.011 0.000 2.555 555 K HA 0.426 4.631 4.320 -0.191 0.000 0.279 555 K C -1.133 175.468 176.600 0.001 0.000 0.986 555 K CA -0.802 55.487 56.287 0.005 0.000 0.880 555 K CB 1.654 34.156 32.500 0.004 0.000 1.474 555 K HN -0.341 nan 8.250 nan 0.000 0.433 556 I N 2.989 123.557 120.570 -0.003 0.000 2.310 556 I HA 0.110 4.165 4.170 -0.191 0.000 0.287 556 I C 0.486 176.599 176.117 -0.007 0.000 1.073 556 I CA -0.274 61.021 61.300 -0.008 0.000 1.216 556 I CB 0.051 38.045 38.000 -0.010 0.000 1.415 556 I HN 0.871 nan 8.210 nan 0.000 0.480 557 T N 1.691 116.241 114.554 -0.007 0.000 2.813 557 T HA 0.130 4.365 4.350 -0.191 0.000 0.297 557 T C 1.299 175.993 174.700 -0.011 0.000 1.036 557 T CA -0.458 61.637 62.100 -0.008 0.000 1.044 557 T CB 1.602 70.466 68.868 -0.007 0.000 0.993 557 T HN 0.636 nan 8.240 nan 0.000 0.535 558 K N 0.552 120.945 120.400 -0.011 0.000 2.089 558 K HA -0.177 4.029 4.320 -0.191 0.000 0.210 558 K C 2.377 178.966 176.600 -0.018 0.000 1.048 558 K CA 1.935 58.214 56.287 -0.014 0.000 0.926 558 K CB -0.571 31.922 32.500 -0.012 0.000 0.714 558 K HN 0.587 nan 8.250 nan 0.000 0.448 559 S N 0.531 116.218 115.700 -0.021 0.000 2.383 559 S HA -0.093 4.262 4.470 -0.191 0.000 0.227 559 S C 1.844 176.426 174.600 -0.030 0.000 1.026 559 S CA 1.492 59.674 58.200 -0.030 0.000 0.981 559 S CB -0.165 63.014 63.200 -0.036 0.000 0.818 559 S HN 0.304 nan 8.310 nan 0.000 0.472 560 M N 1.258 120.842 119.600 -0.025 0.000 2.086 560 M HA -0.143 4.223 4.480 -0.191 0.000 0.261 560 M C 2.256 178.541 176.300 -0.025 0.000 1.067 560 M CA 1.407 56.692 55.300 -0.025 0.000 1.116 560 M CB -0.475 32.112 32.600 -0.021 0.000 1.348 560 M HN 0.301 nan 8.290 nan 0.000 0.407 561 E N 0.592 120.779 120.200 -0.021 0.000 2.038 561 E HA -0.217 4.018 4.350 -0.191 0.000 0.195 561 E C 1.904 178.491 176.600 -0.021 0.000 1.000 561 E CA 1.584 57.972 56.400 -0.019 0.000 0.803 561 E CB -0.281 29.410 29.700 -0.016 0.000 0.750 561 E HN 0.525 nan 8.360 nan 0.000 0.448 562 I N 0.947 121.503 120.570 -0.023 0.000 2.226 562 I HA -0.255 3.800 4.170 -0.191 0.000 0.245 562 I C 2.576 178.677 176.117 -0.028 0.000 1.100 562 I CA 0.983 62.268 61.300 -0.025 0.000 1.374 562 I CB -0.355 37.628 38.000 -0.027 0.000 1.057 562 I HN 0.070 nan 8.210 nan 0.000 0.413 563 A N 1.257 124.058 122.820 -0.032 0.000 1.877 563 A HA -0.149 4.057 4.320 -0.191 0.000 0.216 563 A C 2.326 179.892 177.584 -0.029 0.000 1.186 563 A CA 1.555 53.571 52.037 -0.035 0.000 0.620 563 A CB -0.843 18.133 19.000 -0.040 0.000 0.822 563 A HN 0.375 nan 8.150 nan 0.000 0.443 564 I N -0.309 120.245 120.570 -0.027 0.000 2.252 564 I HA -0.263 3.793 4.170 -0.191 0.000 0.245 564 I C 2.266 178.370 176.117 -0.021 0.000 1.102 564 I CA 1.589 62.873 61.300 -0.025 0.000 1.385 564 I CB -0.587 37.398 38.000 -0.026 0.000 1.064 564 I HN 0.356 nan 8.210 nan 0.000 0.414 565 N N 0.646 119.334 118.700 -0.019 0.000 2.043 565 N HA -0.196 4.429 4.740 -0.191 0.000 0.193 565 N C 1.837 177.338 175.510 -0.015 0.000 1.037 565 N CA 1.256 54.296 53.050 -0.016 0.000 0.851 565 N CB -0.050 38.428 38.487 -0.015 0.000 1.027 565 N HN 0.233 nan 8.380 nan 0.000 0.422 566 E N -0.125 120.064 120.200 -0.018 0.000 2.110 566 E HA -0.120 4.116 4.350 -0.191 0.000 0.193 566 E C 1.905 178.495 176.600 -0.017 0.000 0.988 566 E CA 1.105 57.494 56.400 -0.018 0.000 0.804 566 E CB -0.490 29.196 29.700 -0.023 0.000 0.745 566 E HN 0.429 nan 8.360 nan 0.000 0.458 567 T N 1.404 115.947 114.554 -0.018 0.000 2.701 567 T HA -0.106 4.129 4.350 -0.191 0.000 0.263 567 T C 1.884 176.576 174.700 -0.012 0.000 1.040 567 T CA 1.255 63.345 62.100 -0.017 0.000 1.147 567 T CB -0.061 68.795 68.868 -0.019 0.000 0.865 567 T HN 0.138 nan 8.240 nan 0.000 0.426 568 K N 0.645 121.038 120.400 -0.012 0.000 2.097 568 K HA -0.025 4.180 4.320 -0.191 0.000 0.206 568 K C 2.536 179.134 176.600 -0.003 0.000 1.049 568 K CA 0.806 57.089 56.287 -0.008 0.000 0.933 568 K CB -0.090 32.404 32.500 -0.009 0.000 0.717 568 K HN 0.182 nan 8.250 nan 0.000 0.442 569 R N 1.406 121.903 120.500 -0.005 0.000 2.066 569 R HA -0.093 4.132 4.340 -0.191 0.000 0.232 569 R C 2.148 178.449 176.300 0.001 0.000 1.131 569 R CA 1.344 57.443 56.100 -0.001 0.000 0.955 569 R CB -0.000 30.298 30.300 -0.003 0.000 0.851 569 R HN 0.071 nan 8.270 nan 0.000 0.432 570 R N -0.023 120.475 120.500 -0.004 0.000 2.081 570 R HA -0.117 4.109 4.340 -0.191 0.000 0.235 570 R C 2.554 178.854 176.300 -0.001 0.000 1.131 570 R CA 1.678 57.774 56.100 -0.006 0.000 0.960 570 R CB -0.354 29.937 30.300 -0.014 0.000 0.856 570 R HN 0.224 nan 8.270 nan 0.000 0.436 571 R N 0.935 121.435 120.500 0.000 0.000 2.127 571 R HA -0.169 4.056 4.340 -0.191 0.000 0.238 571 R C 1.870 178.181 176.300 0.017 0.000 1.134 571 R CA 1.518 57.622 56.100 0.006 0.000 0.975 571 R CB 0.003 30.305 30.300 0.003 0.000 0.865 571 R HN 0.304 nan 8.270 nan 0.000 0.447 572 E N 0.110 120.320 120.200 0.017 0.000 2.046 572 E HA -0.198 4.037 4.350 -0.191 0.000 0.190 572 E C 1.999 178.624 176.600 0.041 0.000 0.982 572 E CA 1.193 57.608 56.400 0.025 0.000 0.800 572 E CB 0.105 29.816 29.700 0.019 0.000 0.756 572 E HN 0.472 nan 8.360 nan 0.000 0.449 573 Q N 0.016 119.840 119.800 0.040 0.000 2.170 573 Q HA -0.194 4.031 4.340 -0.191 0.000 0.203 573 Q C 2.133 178.188 176.000 0.092 0.000 0.976 573 Q CA 1.117 56.957 55.803 0.063 0.000 0.858 573 Q CB -0.013 28.751 28.738 0.044 0.000 0.907 573 Q HN 0.329 nan 8.270 nan 0.000 0.433 574 Q N 0.666 120.500 119.800 0.056 0.000 2.083 574 Q HA -0.152 4.074 4.340 -0.191 0.000 0.198 574 Q C 1.740 177.809 176.000 0.114 0.000 0.969 574 Q CA 1.098 56.936 55.803 0.058 0.000 0.838 574 Q CB 0.110 28.853 28.738 0.008 0.000 0.900 574 Q HN 0.391 nan 8.270 nan 0.000 0.436 575 E N 0.292 120.542 120.200 0.083 0.000 2.150 575 E HA -0.157 4.078 4.350 -0.191 0.000 0.193 575 E C 2.009 178.668 176.600 0.097 0.000 0.985 575 E CA 0.393 56.842 56.400 0.080 0.000 0.814 575 E CB 0.028 29.758 29.700 0.050 0.000 0.752 575 E HN 0.165 nan 8.360 nan 0.000 0.466 576 R N 0.358 120.921 120.500 0.105 0.000 2.070 576 R HA -0.169 4.056 4.340 -0.191 0.000 0.233 576 R C 2.196 178.586 176.300 0.151 0.000 1.137 576 R CA 1.304 57.467 56.100 0.104 0.000 0.945 576 R CB -0.448 29.907 30.300 0.092 0.000 0.845 576 R HN 0.178 nan 8.270 nan 0.000 0.430 577 F N 2.289 122.282 119.950 0.072 0.000 2.065 577 F HA -0.307 4.106 4.527 -0.190 0.000 0.298 577 F C 2.012 177.907 175.800 0.157 0.000 1.112 577 F CA 2.116 60.188 58.000 0.120 0.000 1.212 577 F CB -0.372 38.630 39.000 0.004 0.000 0.975 577 F HN 0.138 nan 8.300 nan 0.000 0.476 578 N N 0.510 119.393 118.700 0.304 0.000 2.043 578 N HA -0.227 4.398 4.740 -0.191 0.000 0.193 578 N C 1.965 177.530 175.510 0.092 0.000 1.037 578 N CA 1.604 54.772 53.050 0.196 0.000 0.851 578 N CB -0.794 37.781 38.487 0.147 0.000 1.027 578 N HN 0.498 nan 8.380 nan 0.000 0.422 579 E N 1.122 121.360 120.200 0.065 0.000 2.023 579 E HA -0.197 4.038 4.350 -0.191 0.000 0.196 579 E C 1.335 177.919 176.600 -0.027 0.000 1.003 579 E CA 1.207 57.619 56.400 0.020 0.000 0.809 579 E CB -0.042 29.668 29.700 0.017 0.000 0.755 579 E HN 0.433 nan 8.360 nan 0.000 0.449 580 E N -1.011 119.157 120.200 -0.052 0.000 2.267 580 E HA -0.188 4.048 4.350 -0.191 0.000 0.197 580 E C 1.369 177.755 176.600 -0.358 0.000 0.998 580 E CA 0.982 57.276 56.400 -0.177 0.000 0.830 580 E CB -0.076 29.514 29.700 -0.183 0.000 0.751 580 E HN 0.416 nan 8.360 nan 0.000 0.491 581 H N -1.624 117.291 119.070 -0.259 0.000 2.652 581 H HA 0.235 4.680 4.556 -0.185 0.000 0.274 581 H C 0.885 176.148 175.328 -0.108 0.000 1.021 581 H CA 0.443 56.343 56.048 -0.246 0.000 1.187 581 H CB 1.330 30.838 29.762 -0.423 0.000 1.505 581 H HN 0.207 nan 8.280 nan 0.000 0.530 582 G N 1.150 109.952 108.800 0.003 0.000 2.176 582 G HA2 -0.281 3.564 3.960 -0.191 0.000 0.252 582 G HA3 -0.281 3.564 3.960 -0.191 0.000 0.252 582 G C -0.010 174.915 174.900 0.041 0.000 1.024 582 G CA 0.250 45.357 45.100 0.012 0.000 0.755 582 G HN 0.351 nan 8.290 nan 0.000 0.507 583 I N 0.788 121.399 120.570 0.068 0.000 2.385 583 I HA 0.394 4.449 4.170 -0.191 0.000 0.294 583 I C 0.327 176.479 176.117 0.059 0.000 0.988 583 I CA -0.460 60.886 61.300 0.077 0.000 1.265 583 I CB 1.756 39.831 38.000 0.124 0.000 1.388 583 I HN 0.017 nan 8.210 nan 0.000 0.480 584 T N 6.426 121.007 114.554 0.044 0.000 2.772 584 T HA 0.332 4.567 4.350 -0.191 0.000 0.288 584 T C -2.362 172.356 174.700 0.029 0.000 0.994 584 T CA -1.282 60.838 62.100 0.033 0.000 0.951 584 T CB 1.143 70.025 68.868 0.023 0.000 0.933 584 T HN 0.297 nan 8.240 nan 0.000 0.447 585 P HA 0.368 nan 4.420 nan 0.000 0.261 585 P C -0.493 176.814 177.300 0.012 0.000 1.183 585 P CA 0.143 63.255 63.100 0.020 0.000 0.761 585 P CB 0.166 31.877 31.700 0.019 0.000 0.785 586 K N 1.395 121.799 120.400 0.006 0.000 2.513 586 K HA 0.534 4.740 4.320 -0.191 0.000 0.251 586 K C -0.187 176.412 176.600 -0.002 0.000 0.939 586 K CA -0.653 55.636 56.287 0.003 0.000 0.793 586 K CB 0.405 32.907 32.500 0.003 0.000 1.241 586 K HN 0.377 nan 8.250 nan 0.000 0.431 587 T N 2.513 117.067 114.554 -0.001 0.000 2.908 587 T HA 0.241 4.476 4.350 -0.191 0.000 0.301 587 T C 0.612 175.309 174.700 -0.005 0.000 1.019 587 T CA 0.202 62.301 62.100 -0.002 0.000 1.152 587 T CB -0.382 68.487 68.868 0.002 0.000 0.966 587 T HN 0.462 nan 8.240 nan 0.000 0.540 588 I N 3.254 123.819 120.570 -0.009 0.000 2.371 588 I HA 0.501 4.556 4.170 -0.191 0.000 0.290 588 I C 0.845 176.960 176.117 -0.004 0.000 1.028 588 I CA -0.089 61.204 61.300 -0.011 0.000 1.345 588 I CB 0.141 38.129 38.000 -0.021 0.000 1.407 588 I HN 0.922 nan 8.210 nan 0.000 0.501 622 K N 0.914 121.323 120.400 0.016 0.000 2.116 622 K HA 0.276 4.482 4.320 -0.191 0.000 0.203 622 K C 2.452 179.060 176.600 0.014 0.000 1.052 622 K CA 2.030 58.327 56.287 0.016 0.000 0.952 622 K CB -1.125 31.383 32.500 0.013 0.000 0.729 622 K HN 0.936 nan 8.250 nan 0.000 0.446 623 E N 0.626 120.833 120.200 0.012 0.000 2.051 623 E HA -0.156 4.079 4.350 -0.191 0.000 0.192 623 E C 2.518 179.125 176.600 0.012 0.000 0.991 623 E CA 2.360 58.767 56.400 0.010 0.000 0.799 623 E CB -1.294 28.411 29.700 0.008 0.000 0.748 623 E HN 0.761 nan 8.360 nan 0.000 0.449 624 R N -0.217 120.291 120.500 0.014 0.000 2.103 624 R HA -0.148 4.077 4.340 -0.191 0.000 0.242 624 R C 2.829 179.141 176.300 0.020 0.000 1.142 624 R CA 3.211 59.320 56.100 0.016 0.000 0.960 624 R CB -1.912 28.398 30.300 0.016 0.000 0.858 624 R HN 0.863 nan 8.270 nan 0.000 0.439 625 Q N -0.507 119.307 119.800 0.022 0.000 2.061 625 Q HA -0.152 4.074 4.340 -0.191 0.000 0.204 625 Q C 2.708 178.722 176.000 0.024 0.000 0.984 625 Q CA 3.277 59.096 55.803 0.027 0.000 0.846 625 Q CB -1.165 27.590 28.738 0.029 0.000 0.902 625 Q HN 0.887 nan 8.270 nan 0.000 0.421 626 K N 0.018 120.429 120.400 0.017 0.000 2.155 626 K HA 0.359 4.564 4.320 -0.191 0.000 0.203 626 K C 2.552 179.160 176.600 0.014 0.000 1.052 626 K CA 1.753 58.048 56.287 0.012 0.000 0.948 626 K CB -1.545 30.959 32.500 0.006 0.000 0.728 626 K HN 1.125 nan 8.250 nan 0.000 0.448 627 V N 0.609 120.533 119.914 0.016 0.000 2.343 627 V HA -0.140 3.865 4.120 -0.191 0.000 0.247 627 V C 2.593 178.701 176.094 0.024 0.000 1.051 627 V CA 2.474 64.784 62.300 0.018 0.000 1.036 627 V CB -0.584 31.247 31.823 0.015 0.000 0.654 627 V HN 0.264 nan 8.190 nan 0.000 0.451 628 V N 0.920 120.849 119.914 0.025 0.000 2.307 628 V HA -0.183 3.823 4.120 -0.191 0.000 0.245 628 V C 3.042 179.160 176.094 0.039 0.000 1.045 628 V CA 2.508 64.826 62.300 0.029 0.000 1.024 628 V CB -1.064 30.776 31.823 0.029 0.000 0.651 628 V HN 0.842 nan 8.190 nan 0.000 0.449 629 E N -0.234 119.990 120.200 0.039 0.000 2.153 629 E HA -0.285 3.950 4.350 -0.191 0.000 0.194 629 E C 2.137 178.771 176.600 0.057 0.000 0.988 629 E CA 2.090 58.517 56.400 0.046 0.000 0.811 629 E CB -0.901 28.818 29.700 0.030 0.000 0.746 629 E HN 0.783 nan 8.360 nan 0.000 0.466 630 Q N -0.241 119.587 119.800 0.046 0.000 2.096 630 Q HA 0.178 4.403 4.340 -0.191 0.000 0.197 630 Q C 2.370 178.426 176.000 0.093 0.000 0.964 630 Q CA 1.495 57.334 55.803 0.061 0.000 0.838 630 Q CB -0.435 28.322 28.738 0.033 0.000 0.906 630 Q HN 0.706 nan 8.270 nan 0.000 0.444 631 M N -0.239 119.398 119.600 0.062 0.000 2.229 631 M HA -0.113 4.252 4.480 -0.191 0.000 0.264 631 M C 2.032 178.363 176.300 0.052 0.000 1.063 631 M CA 1.599 56.929 55.300 0.050 0.000 1.114 631 M CB -0.138 32.481 32.600 0.032 0.000 1.387 631 M HN 0.561 nan 8.290 nan 0.000 0.420 632 E N -0.626 119.613 120.200 0.065 0.000 2.072 632 E HA -0.223 4.012 4.350 -0.191 0.000 0.190 632 E C 1.855 178.500 176.600 0.075 0.000 0.982 632 E CA 1.133 57.570 56.400 0.061 0.000 0.803 632 E CB -0.135 29.603 29.700 0.064 0.000 0.755 632 E HN 0.501 nan 8.360 nan 0.000 0.453 633 H N 0.460 119.538 119.070 0.014 0.000 2.352 633 H HA -0.151 4.290 4.556 -0.191 0.000 0.299 633 H C 2.113 177.446 175.328 0.009 0.000 1.097 633 H CA 2.750 58.804 56.048 0.011 0.000 1.311 633 H CB -0.065 29.701 29.762 0.006 0.000 1.377 633 H HN 0.225 nan 8.280 nan 0.000 0.504 634 E N 1.135 121.337 120.200 0.004 0.000 2.072 634 E HA -0.172 4.063 4.350 -0.191 0.000 0.191 634 E C 2.318 178.876 176.600 -0.070 0.000 0.985 634 E CA 1.241 57.611 56.400 -0.050 0.000 0.801 634 E CB -0.788 28.926 29.700 0.023 0.000 0.750 634 E HN 0.710 nan 8.360 nan 0.000 0.452 635 M N 0.240 119.823 119.600 -0.028 0.000 2.117 635 M HA -0.151 4.215 4.480 -0.191 0.000 0.262 635 M C 2.773 179.059 176.300 -0.023 0.000 1.065 635 M CA 3.024 58.317 55.300 -0.012 0.000 1.114 635 M CB -0.255 32.352 32.600 0.011 0.000 1.361 635 M HN 0.410 nan 8.290 nan 0.000 0.408 636 K N 0.321 120.693 120.400 -0.048 0.000 2.026 636 K HA -0.151 4.054 4.320 -0.191 0.000 0.208 636 K C 1.620 178.160 176.600 -0.101 0.000 1.048 636 K CA 1.793 58.048 56.287 -0.054 0.000 0.929 636 K CB -1.257 31.215 32.500 -0.048 0.000 0.713 636 K HN 0.561 nan 8.250 nan 0.000 0.439 637 E N 0.084 120.162 120.200 -0.202 0.000 2.085 637 E HA -0.120 4.115 4.350 -0.191 0.000 0.194 637 E C 2.377 178.903 176.600 -0.124 0.000 0.994 637 E CA 1.393 57.677 56.400 -0.193 0.000 0.801 637 E CB -0.430 29.107 29.700 -0.272 0.000 0.743 637 E HN 0.600 nan 8.360 nan 0.000 0.453 638 A N 1.213 123.971 122.820 -0.104 0.000 1.969 638 A HA -0.010 4.195 4.320 -0.191 0.000 0.218 638 A C 2.378 179.883 177.584 -0.132 0.000 1.169 638 A CA 1.696 53.672 52.037 -0.102 0.000 0.635 638 A CB -0.369 18.592 19.000 -0.065 0.000 0.810 638 A HN 0.260 nan 8.150 nan 0.000 0.445 639 A N -0.252 122.538 122.820 -0.050 0.000 1.873 639 A HA -0.090 4.115 4.320 -0.191 0.000 0.215 639 A C 2.031 179.591 177.584 -0.040 0.000 1.186 639 A CA 2.025 54.083 52.037 0.035 0.000 0.616 639 A CB -0.363 18.736 19.000 0.166 0.000 0.823 639 A HN 0.320 nan 8.150 nan 0.000 0.442 640 K N 0.265 120.640 120.400 -0.042 0.000 2.103 640 K HA -0.002 4.203 4.320 -0.191 0.000 0.207 640 K C 1.877 178.414 176.600 -0.104 0.000 1.048 640 K CA 1.400 57.660 56.287 -0.044 0.000 0.930 640 K CB -0.672 31.805 32.500 -0.037 0.000 0.716 640 K HN 0.431 nan 8.250 nan 0.000 0.444 641 A N 0.031 122.758 122.820 -0.154 0.000 2.206 641 A HA 0.079 4.285 4.320 -0.191 0.000 0.211 641 A C 0.603 178.009 177.584 -0.296 0.000 1.158 641 A CA 0.620 52.552 52.037 -0.175 0.000 0.761 641 A CB -0.465 18.448 19.000 -0.145 0.000 0.801 641 A HN 0.389 nan 8.150 nan 0.000 0.473 642 L N -1.343 119.561 121.223 -0.531 0.000 4.496 642 L HA -0.196 4.029 4.340 -0.191 0.000 0.419 642 L C 0.030 176.269 176.870 -1.053 0.000 1.139 642 L CA 0.583 54.743 54.840 -1.134 0.000 0.975 642 L CB -1.893 39.839 42.059 -0.545 0.000 2.099 642 L HN 0.418 nan 8.230 nan 0.000 0.818 643 D N 0.544 120.578 120.400 -0.610 0.000 2.608 643 D HA 0.180 4.705 4.640 -0.191 0.000 0.224 643 D C 1.024 177.175 176.300 -0.248 0.000 1.123 643 D CA -0.125 53.681 54.000 -0.322 0.000 1.030 643 D CB -0.193 40.501 40.800 -0.177 0.000 1.093 643 D HN 0.302 nan 8.370 nan 0.000 0.497 644 F N 0.670 120.613 119.950 -0.012 0.000 2.293 644 F HA -0.109 4.304 4.527 -0.189 0.000 0.300 644 F C 2.082 177.876 175.800 -0.011 0.000 1.086 644 F CA 0.383 58.376 58.000 -0.012 0.000 1.375 644 F CB 0.192 39.186 39.000 -0.010 0.000 1.045 644 F HN 0.199 nan 8.300 nan 0.000 0.516 645 E N 0.233 120.506 120.200 0.123 0.000 2.051 645 E HA -0.209 4.026 4.350 -0.191 0.000 0.192 645 E C 2.046 178.671 176.600 0.041 0.000 0.991 645 E CA 0.908 57.349 56.400 0.069 0.000 0.799 645 E CB -0.205 29.520 29.700 0.041 0.000 0.748 645 E HN 0.068 nan 8.360 nan 0.000 0.449 646 R N 0.787 121.297 120.500 0.017 0.000 2.092 646 R HA 0.016 4.242 4.340 -0.191 0.000 0.231 646 R C 1.971 178.281 176.300 0.017 0.000 1.119 646 R CA 1.566 57.669 56.100 0.005 0.000 0.970 646 R CB -0.706 29.582 30.300 -0.020 0.000 0.864 646 R HN 0.187 nan 8.270 nan 0.000 0.440 647 A N 0.173 123.015 122.820 0.036 0.000 1.933 647 A HA -0.014 4.192 4.320 -0.191 0.000 0.218 647 A C 2.344 179.962 177.584 0.056 0.000 1.175 647 A CA 1.656 53.726 52.037 0.056 0.000 0.628 647 A CB -0.965 18.103 19.000 0.113 0.000 0.814 647 A HN 0.475 nan 8.150 nan 0.000 0.444 648 A N 0.026 122.885 122.820 0.065 0.000 1.877 648 A HA -0.191 4.015 4.320 -0.191 0.000 0.216 648 A C 1.876 179.475 177.584 0.026 0.000 1.186 648 A CA 1.706 53.769 52.037 0.043 0.000 0.620 648 A CB -0.645 18.382 19.000 0.045 0.000 0.822 648 A HN 0.617 nan 8.150 nan 0.000 0.443 649 E N -0.188 120.026 120.200 0.024 0.000 2.070 649 E HA -0.227 4.008 4.350 -0.191 0.000 0.197 649 E C 1.954 178.562 176.600 0.013 0.000 1.004 649 E CA 1.550 57.959 56.400 0.015 0.000 0.805 649 E CB -0.376 29.331 29.700 0.012 0.000 0.744 649 E HN 0.635 nan 8.360 nan 0.000 0.451 650 L N 0.400 121.632 121.223 0.015 0.000 2.056 650 L HA -0.159 4.067 4.340 -0.191 0.000 0.207 650 L C 2.749 179.626 176.870 0.012 0.000 1.078 650 L CA 1.068 55.916 54.840 0.013 0.000 0.749 650 L CB -0.411 41.656 42.059 0.013 0.000 0.901 650 L HN 0.084 nan 8.230 nan 0.000 0.433 651 R N 0.437 120.945 120.500 0.013 0.000 2.096 651 R HA -0.227 3.999 4.340 -0.191 0.000 0.240 651 R C 1.800 178.102 176.300 0.002 0.000 1.139 651 R CA 2.342 58.446 56.100 0.007 0.000 0.952 651 R CB -0.309 29.995 30.300 0.008 0.000 0.854 651 R HN 0.330 nan 8.270 nan 0.000 0.436 652 D N 0.457 120.859 120.400 0.004 0.000 2.144 652 D HA -0.137 4.388 4.640 -0.191 0.000 0.199 652 D C 1.903 178.204 176.300 0.002 0.000 0.984 652 D CA 0.647 54.648 54.000 0.002 0.000 0.834 652 D CB -0.162 40.640 40.800 0.004 0.000 0.955 652 D HN 0.141 nan 8.370 nan 0.000 0.465 653 L N 0.407 121.633 121.223 0.005 0.000 2.012 653 L HA -0.084 4.141 4.340 -0.191 0.000 0.210 653 L C 1.098 177.971 176.870 0.004 0.000 1.073 653 L CA 0.965 55.808 54.840 0.005 0.000 0.748 653 L CB -0.969 41.095 42.059 0.008 0.000 0.891 653 L HN 0.074 nan 8.230 nan 0.000 0.431 654 L N 0.000 121.225 121.223 0.004 0.000 2.949 654 L HA 0.000 4.225 4.340 -0.191 0.000 0.249 654 L CA 0.000 54.841 54.840 0.002 0.000 0.813 654 L CB 0.000 42.060 42.059 0.001 0.000 0.961 654 L HN 0.000 nan 8.230 nan 0.000 0.502