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 2ywc_1_D DATA FIRST_RESID 2 DATA SEQUENCE VLVLDFGSQY TRLIARRLRE LRAFSLILPG DAPLEEVLKH RPQALILSGG DATA SEQUENCE PRSVFDPDAP RPDPRLFSSG LPLLGICYGX QLLAQELGGR VERAGRAEYG DATA SEQUENCE KALLTRHEGP LFRGLEGEVQ VWXSHQDAVT APPPGWRVVA ETEENPVAAI DATA SEQUENCE ASPDGRAYGV QFHPEVAHTP KGXQILENFL ELAGVKRDWT PEHVLEELLR DATA SEQUENCE EVRERAGKDR VLLAVSGGVD SSTLALLLAK AGVDHLAVFV DHGLLRLGER DATA SEQUENCE EEVEGALRAL GVNLLVVDAK ERFLKALKGV EDPEEKRKII GREFVAAFSQ DATA SEQUENCE VARERGPFRF LAQGTLYPDV IXXXXXXXXX XXXXXXXXXX XXXXXXFELL DATA SEQUENCE EPFRLLFKDE VRELALLLGL PDTLRLRHPF PGPGLAVRVL GEVTEERLEI DATA SEQUENCE LRRADDIFTS LLREWGLYEK VAQALAVLTP VRXXXXXXXX XXXGYVLALR DATA SEQUENCE AVTTEDFXTA DWARLPLEFL DEAARRITRR VPEIGRVVYD LTSKPPATIE DATA SEQUENCE WE 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.072 176.094 -0.036 0.000 1.182 2 V CA 0.000 62.296 62.300 -0.007 0.000 1.235 2 V CB 0.000 31.830 31.823 0.011 0.000 1.184 3 L N 3.636 124.874 121.223 0.024 0.000 2.317 3 L HA 0.803 5.149 4.340 0.009 0.000 0.281 3 L C -0.929 175.959 176.870 0.030 0.000 1.024 3 L CA -0.720 54.131 54.840 0.018 0.000 0.810 3 L CB 1.856 43.942 42.059 0.045 0.000 1.240 3 L HN 0.573 nan 8.230 nan 0.000 0.427 4 V N 6.130 126.049 119.914 0.008 0.000 2.350 4 V HA 0.309 4.434 4.120 0.009 0.000 0.285 4 V C 0.061 176.139 176.094 -0.027 0.000 1.014 4 V CA -0.483 61.828 62.300 0.018 0.000 0.831 4 V CB 1.467 33.308 31.823 0.031 0.000 1.000 4 V HN 0.559 nan 8.190 nan 0.000 0.433 5 L N 3.975 125.161 121.223 -0.062 0.000 2.268 5 L HA 0.379 4.724 4.340 0.009 0.000 0.289 5 L C 0.160 176.766 176.870 -0.441 0.000 1.064 5 L CA -0.355 54.330 54.840 -0.258 0.000 0.824 5 L CB 0.843 42.730 42.059 -0.287 0.000 1.202 5 L HN 0.615 nan 8.230 nan 0.000 0.433 6 D N 2.653 122.846 120.400 -0.345 0.000 2.358 6 D HA 0.062 4.708 4.640 0.009 0.000 0.258 6 D C 0.042 176.119 176.300 -0.370 0.000 1.223 6 D CA 0.166 54.021 54.000 -0.242 0.000 0.886 6 D CB 0.491 41.223 40.800 -0.113 0.000 1.120 6 D HN 0.220 nan 8.370 nan 0.000 0.482 7 F N 2.194 122.198 119.950 0.091 0.000 2.684 7 F HA 0.343 4.872 4.527 0.003 0.000 0.298 7 F C 1.858 177.650 175.800 -0.014 0.000 1.120 7 F CA 0.020 58.077 58.000 0.095 0.000 1.332 7 F CB 0.706 39.872 39.000 0.277 0.000 0.986 7 F HN 0.651 nan 8.300 nan 0.000 0.524 8 G N -0.439 108.417 108.800 0.092 0.000 2.213 8 G HA2 -0.265 3.701 3.960 0.009 0.000 0.226 8 G HA3 -0.265 3.701 3.960 0.009 0.000 0.226 8 G C 0.532 175.445 174.900 0.022 0.000 0.992 8 G CA 0.087 45.203 45.100 0.027 0.000 0.632 8 G HN 0.385 nan 8.290 nan 0.000 0.511 9 S N 0.695 116.443 115.700 0.081 0.000 2.558 9 S HA 0.296 4.771 4.470 0.009 0.000 0.288 9 S C 1.847 176.421 174.600 -0.042 0.000 1.318 9 S CA 0.958 59.196 58.200 0.064 0.000 1.056 9 S CB 0.708 64.044 63.200 0.227 0.000 0.853 9 S HN 0.689 nan 8.310 nan 0.000 0.505 10 Q N 3.004 122.661 119.800 -0.239 0.000 2.488 10 Q HA -0.051 4.294 4.340 0.009 0.000 0.211 10 Q C -0.085 175.794 176.000 -0.200 0.000 0.967 10 Q CA 1.242 56.881 55.803 -0.274 0.000 0.926 10 Q CB -0.273 28.229 28.738 -0.394 0.000 0.992 10 Q HN 0.882 nan 8.270 nan 0.000 0.506 11 Y N 0.175 120.515 120.300 0.065 0.000 2.625 11 Y HA 0.300 4.855 4.550 0.008 0.000 0.285 11 Y C 1.637 177.588 175.900 0.085 0.000 1.168 11 Y CA -0.534 57.598 58.100 0.052 0.000 1.250 11 Y CB 0.164 38.656 38.460 0.053 0.000 1.130 11 Y HN 0.032 nan 8.280 nan 0.000 0.526 12 T N -0.316 114.347 114.554 0.182 0.000 2.777 12 T HA -0.127 4.228 4.350 0.009 0.000 0.266 12 T C 2.120 176.902 174.700 0.137 0.000 1.040 12 T CA 1.460 63.646 62.100 0.145 0.000 1.141 12 T CB 0.053 68.973 68.868 0.086 0.000 0.868 12 T HN 0.362 nan 8.240 nan 0.000 0.444 13 R N 0.351 120.929 120.500 0.131 0.000 2.083 13 R HA -0.050 4.295 4.340 0.009 0.000 0.237 13 R C 2.312 178.680 176.300 0.112 0.000 1.137 13 R CA 1.153 57.353 56.100 0.166 0.000 0.951 13 R CB -0.623 29.768 30.300 0.152 0.000 0.851 13 R HN 0.250 nan 8.270 nan 0.000 0.434 14 L N 0.703 121.973 121.223 0.079 0.000 2.043 14 L HA -0.206 4.139 4.340 0.009 0.000 0.212 14 L C 2.255 179.141 176.870 0.026 0.000 1.075 14 L CA 1.684 56.532 54.840 0.013 0.000 0.752 14 L CB -0.504 41.572 42.059 0.029 0.000 0.891 14 L HN 0.182 nan 8.230 nan 0.000 0.432 15 I N -1.008 119.615 120.570 0.088 0.000 2.163 15 I HA -0.352 3.824 4.170 0.009 0.000 0.243 15 I C 2.598 178.758 176.117 0.073 0.000 1.085 15 I CA 1.213 62.564 61.300 0.084 0.000 1.347 15 I CB -0.531 37.537 38.000 0.113 0.000 1.044 15 I HN 0.271 nan 8.210 nan 0.000 0.408 16 A N 1.945 124.831 122.820 0.111 0.000 1.834 16 A HA -0.255 4.070 4.320 0.009 0.000 0.216 16 A C 2.373 180.036 177.584 0.130 0.000 1.203 16 A CA 2.263 54.387 52.037 0.146 0.000 0.621 16 A CB -0.898 18.297 19.000 0.325 0.000 0.841 16 A HN 0.510 nan 8.150 nan 0.000 0.446 17 R N -1.405 119.127 120.500 0.053 0.000 2.200 17 R HA -0.113 4.232 4.340 0.009 0.000 0.234 17 R C 1.915 178.180 176.300 -0.057 0.000 1.127 17 R CA 1.564 57.573 56.100 -0.151 0.000 0.989 17 R CB -0.367 29.476 30.300 -0.762 0.000 0.869 17 R HN 0.282 nan 8.270 nan 0.000 0.459 18 R N 1.188 121.670 120.500 -0.029 0.000 2.090 18 R HA 0.118 4.463 4.340 0.009 0.000 0.228 18 R C 2.231 178.549 176.300 0.029 0.000 1.110 18 R CA 1.143 57.237 56.100 -0.009 0.000 0.973 18 R CB -0.520 29.779 30.300 -0.002 0.000 0.869 18 R HN 0.287 nan 8.270 nan 0.000 0.440 19 L N -0.204 121.042 121.223 0.040 0.000 2.056 19 L HA -0.123 4.223 4.340 0.009 0.000 0.207 19 L C 2.316 179.229 176.870 0.072 0.000 1.078 19 L CA 1.403 56.270 54.840 0.045 0.000 0.749 19 L CB -0.333 41.734 42.059 0.013 0.000 0.901 19 L HN 0.139 nan 8.230 nan 0.000 0.433 20 R N 0.201 120.758 120.500 0.096 0.000 2.120 20 R HA -0.170 4.176 4.340 0.009 0.000 0.234 20 R C 1.957 178.428 176.300 0.284 0.000 1.123 20 R CA 1.243 57.499 56.100 0.260 0.000 0.975 20 R CB -0.312 30.211 30.300 0.371 0.000 0.866 20 R HN 0.477 nan 8.270 nan 0.000 0.446 21 E N 0.541 120.831 120.200 0.150 0.000 2.347 21 E HA -0.072 4.284 4.350 0.009 0.000 0.196 21 E C 0.915 177.565 176.600 0.083 0.000 1.008 21 E CA 0.565 57.023 56.400 0.096 0.000 0.852 21 E CB 0.159 29.880 29.700 0.035 0.000 0.783 21 E HN 0.294 nan 8.360 nan 0.000 0.505 22 L N 0.905 122.183 121.223 0.092 0.000 2.848 22 L HA 0.224 4.570 4.340 0.009 0.000 0.240 22 L C -0.213 176.717 176.870 0.099 0.000 1.232 22 L CA -0.399 54.485 54.840 0.073 0.000 1.031 22 L CB 0.159 42.251 42.059 0.056 0.000 1.338 22 L HN 0.003 nan 8.230 nan 0.000 0.509 23 R N -0.178 120.413 120.500 0.153 0.000 3.405 23 R HA -0.188 4.157 4.340 0.009 0.000 0.258 23 R C -0.031 176.414 176.300 0.241 0.000 1.030 23 R CA 0.808 57.037 56.100 0.214 0.000 0.691 23 R CB -2.226 28.146 30.300 0.121 0.000 1.093 23 R HN 0.376 nan 8.270 nan 0.000 0.448 24 A N 0.805 123.750 122.820 0.209 0.000 2.332 24 A HA 0.564 4.889 4.320 0.009 0.000 0.300 24 A C -0.258 177.311 177.584 -0.026 0.000 1.153 24 A CA -0.749 51.361 52.037 0.122 0.000 0.764 24 A CB 0.747 19.779 19.000 0.053 0.000 1.174 24 A HN 0.223 nan 8.150 nan 0.000 0.467 25 F N 3.561 123.317 119.950 -0.323 0.000 2.602 25 F HA 0.413 4.944 4.527 0.008 0.000 0.367 25 F C 0.749 176.264 175.800 -0.475 0.000 1.126 25 F CA 0.866 58.356 58.000 -0.850 0.000 1.321 25 F CB 0.741 39.238 39.000 -0.839 0.000 1.094 25 F HN 0.648 nan 8.300 nan 0.000 0.594 26 S N 6.106 121.032 115.700 -1.290 0.000 2.564 26 S HA 0.836 5.311 4.470 0.009 0.000 0.274 26 S C -1.363 172.653 174.600 -0.974 0.000 1.124 26 S CA -1.050 56.654 58.200 -0.826 0.000 0.869 26 S CB 1.792 64.782 63.200 -0.349 0.000 1.105 26 S HN 0.727 nan 8.310 nan 0.000 0.472 27 L N 1.574 122.487 121.223 -0.518 0.000 2.371 27 L HA 0.605 4.951 4.340 0.009 0.000 0.262 27 L C -1.189 175.675 176.870 -0.010 0.000 1.006 27 L CA -1.174 53.508 54.840 -0.263 0.000 0.818 27 L CB 1.918 43.837 42.059 -0.234 0.000 1.354 27 L HN 0.610 nan 8.230 nan 0.000 0.415 28 I N 3.572 124.222 120.570 0.135 0.000 2.321 28 I HA 0.444 4.620 4.170 0.009 0.000 0.291 28 I C -0.403 175.733 176.117 0.032 0.000 0.998 28 I CA -0.207 61.130 61.300 0.061 0.000 1.227 28 I CB 1.175 39.189 38.000 0.022 0.000 1.368 28 I HN 0.365 nan 8.210 nan 0.000 0.466 29 L N 7.863 129.081 121.223 -0.008 0.000 2.410 29 L HA 0.464 4.810 4.340 0.009 0.000 0.270 29 L C -2.381 174.431 176.870 -0.097 0.000 0.983 29 L CA -1.824 53.003 54.840 -0.021 0.000 0.822 29 L CB 2.510 44.572 42.059 0.005 0.000 1.285 29 L HN 0.255 nan 8.230 nan 0.000 0.409 30 P HA -0.085 nan 4.420 nan 0.000 0.269 30 P C 0.709 177.851 177.300 -0.264 0.000 1.200 30 P CA 0.394 63.401 63.100 -0.155 0.000 0.779 30 P CB 0.685 32.339 31.700 -0.078 0.000 0.841 31 G N 1.605 110.132 108.800 -0.456 0.000 2.418 31 G HA2 -0.189 3.776 3.960 0.009 0.000 0.217 31 G HA3 -0.189 3.776 3.960 0.009 0.000 0.217 31 G C -0.015 174.840 174.900 -0.075 0.000 1.158 31 G CA 0.575 45.246 45.100 -0.716 0.000 0.771 31 G HN 0.657 nan 8.290 nan 0.000 0.545 32 D N 0.771 121.177 120.400 0.010 0.000 2.608 32 D HA 0.499 5.145 4.640 0.009 0.000 0.224 32 D C 0.133 176.443 176.300 0.017 0.000 1.123 32 D CA -0.256 53.780 54.000 0.060 0.000 1.030 32 D CB 0.461 41.301 40.800 0.066 0.000 1.093 32 D HN 0.249 nan 8.370 nan 0.000 0.497 33 A N 2.364 125.188 122.820 0.007 0.000 2.271 33 A HA 0.558 4.883 4.320 0.009 0.000 0.317 33 A C -2.498 175.088 177.584 0.002 0.000 1.245 33 A CA -1.882 50.150 52.037 -0.008 0.000 0.857 33 A CB 0.779 19.759 19.000 -0.033 0.000 1.175 33 A HN 0.193 nan 8.150 nan 0.000 0.512 34 P HA -0.040 nan 4.420 nan 0.000 0.260 34 P C 1.206 178.500 177.300 -0.010 0.000 1.172 34 P CA -0.110 62.990 63.100 0.001 0.000 0.760 34 P CB 0.463 32.162 31.700 -0.001 0.000 0.773 35 L N 4.877 126.101 121.223 0.001 0.000 2.082 35 L HA -0.314 4.031 4.340 0.009 0.000 0.223 35 L C 1.790 178.647 176.870 -0.021 0.000 1.086 35 L CA 2.226 57.065 54.840 -0.002 0.000 0.793 35 L CB -0.813 41.249 42.059 0.006 0.000 0.896 35 L HN 0.346 nan 8.230 nan 0.000 0.441 36 E N -0.567 119.620 120.200 -0.022 0.000 2.046 36 E HA -0.216 4.140 4.350 0.009 0.000 0.190 36 E C 2.099 178.657 176.600 -0.070 0.000 0.982 36 E CA 1.214 57.594 56.400 -0.032 0.000 0.800 36 E CB -0.362 29.328 29.700 -0.016 0.000 0.756 36 E HN 0.664 nan 8.360 nan 0.000 0.449 37 E N 0.549 120.707 120.200 -0.070 0.000 2.284 37 E HA -0.235 4.121 4.350 0.009 0.000 0.200 37 E C 1.690 178.134 176.600 -0.261 0.000 1.008 37 E CA 1.687 58.018 56.400 -0.115 0.000 0.829 37 E CB 0.109 29.772 29.700 -0.060 0.000 0.744 37 E HN 0.279 nan 8.360 nan 0.000 0.491 38 V N -2.222 117.572 119.914 -0.200 0.000 2.627 38 V HA 0.014 4.140 4.120 0.009 0.000 0.239 38 V C 2.230 178.201 176.094 -0.205 0.000 1.077 38 V CA 0.495 62.655 62.300 -0.233 0.000 1.103 38 V CB -0.612 31.156 31.823 -0.092 0.000 0.802 38 V HN 0.152 nan 8.190 nan 0.000 0.482 39 L N 1.562 122.724 121.223 -0.102 0.000 2.549 39 L HA -0.094 4.251 4.340 0.009 0.000 0.230 39 L C 2.679 179.526 176.870 -0.038 0.000 1.162 39 L CA 1.896 56.707 54.840 -0.048 0.000 0.834 39 L CB -0.583 41.462 42.059 -0.024 0.000 0.947 39 L HN 0.589 nan 8.230 nan 0.000 0.452 40 K N -1.143 119.201 120.400 -0.093 0.000 2.366 40 K HA -0.117 4.208 4.320 0.009 0.000 0.198 40 K C 0.934 177.619 176.600 0.140 0.000 1.044 40 K CA 1.078 57.361 56.287 -0.007 0.000 0.973 40 K CB -0.269 32.218 32.500 -0.021 0.000 0.767 40 K HN 0.467 nan 8.250 nan 0.000 0.475 41 H N 1.331 120.421 119.070 0.033 0.000 2.537 41 H HA 0.300 4.867 4.556 0.018 0.000 0.295 41 H C -0.536 174.817 175.328 0.042 0.000 1.054 41 H CA -0.763 55.310 56.048 0.042 0.000 1.156 41 H CB 0.166 29.954 29.762 0.043 0.000 1.468 41 H HN 0.087 nan 8.280 nan 0.000 0.551 42 R N 1.421 122.001 120.500 0.133 0.000 3.184 42 R HA -0.118 4.227 4.340 0.009 0.000 0.242 42 R C -2.512 173.838 176.300 0.084 0.000 0.907 42 R CA -0.153 55.998 56.100 0.085 0.000 0.618 42 R CB -1.397 28.948 30.300 0.075 0.000 1.016 42 R HN 0.452 nan 8.270 nan 0.000 0.469 43 P HA -0.043 nan 4.420 nan 0.000 0.271 43 P C 0.044 177.372 177.300 0.046 0.000 1.226 43 P CA 0.178 63.321 63.100 0.071 0.000 0.765 43 P CB 0.883 32.624 31.700 0.068 0.000 0.835 44 Q N 1.754 121.574 119.800 0.035 0.000 2.297 44 Q HA 0.172 4.518 4.340 0.009 0.000 0.204 44 Q C 0.700 176.696 176.000 -0.006 0.000 0.962 44 Q CA 0.745 56.552 55.803 0.008 0.000 0.879 44 Q CB 0.153 28.889 28.738 -0.005 0.000 0.947 44 Q HN 0.643 nan 8.270 nan 0.000 0.462 45 A N 0.018 122.853 122.820 0.025 0.000 2.601 45 A HA 0.699 5.024 4.320 0.009 0.000 0.291 45 A C -1.885 175.789 177.584 0.151 0.000 1.075 45 A CA -0.727 51.350 52.037 0.067 0.000 0.671 45 A CB 1.116 20.094 19.000 -0.037 0.000 1.277 45 A HN 0.120 nan 8.150 nan 0.000 0.417 46 L N 0.393 121.770 121.223 0.257 0.000 2.401 46 L HA 0.715 5.060 4.340 0.009 0.000 0.266 46 L C -1.144 175.872 176.870 0.244 0.000 0.991 46 L CA -0.386 54.584 54.840 0.216 0.000 0.818 46 L CB 2.180 44.345 42.059 0.176 0.000 1.321 46 L HN 0.630 nan 8.230 nan 0.000 0.413 47 I N 3.198 123.861 120.570 0.154 0.000 2.499 47 I HA 0.335 4.510 4.170 0.009 0.000 0.288 47 I C -1.268 174.918 176.117 0.115 0.000 1.048 47 I CA -0.654 60.697 61.300 0.084 0.000 1.062 47 I CB 2.191 40.231 38.000 0.065 0.000 1.238 47 I HN 0.207 nan 8.210 nan 0.000 0.426 48 L N 5.663 126.965 121.223 0.132 0.000 2.265 48 L HA 0.392 4.738 4.340 0.009 0.000 0.289 48 L C 0.706 177.744 176.870 0.281 0.000 1.033 48 L CA 0.002 55.023 54.840 0.302 0.000 0.814 48 L CB 1.134 43.356 42.059 0.273 0.000 1.203 48 L HN 0.737 nan 8.230 nan 0.000 0.423 49 S N 1.700 117.635 115.700 0.392 0.000 2.633 49 S HA 0.739 5.214 4.470 0.009 0.000 0.257 49 S C 0.454 175.315 174.600 0.435 0.000 1.265 49 S CA -0.116 58.291 58.200 0.345 0.000 0.980 49 S CB 0.905 64.275 63.200 0.282 0.000 1.017 49 S HN 0.657 nan 8.310 nan 0.000 0.577 50 G N -1.579 107.445 108.800 0.374 0.000 2.642 50 G HA2 0.725 4.690 3.960 0.009 0.000 0.291 50 G HA3 0.725 4.690 3.960 0.009 0.000 0.291 50 G C -0.097 174.983 174.900 0.301 0.000 1.345 50 G CA -0.689 44.638 45.100 0.377 0.000 1.043 50 G HN 1.352 nan 8.290 nan 0.000 0.528 51 G N -2.183 106.667 108.800 0.084 0.000 2.523 51 G HA2 0.492 4.458 3.960 0.009 0.000 0.291 51 G HA3 0.492 4.458 3.960 0.009 0.000 0.291 51 G C -2.497 172.268 174.900 -0.224 0.000 1.450 51 G CA -0.360 44.669 45.100 -0.119 0.000 0.790 51 G HN 0.294 nan 8.290 nan 0.000 0.496 52 P HA -0.022 nan 4.420 nan 0.000 0.216 52 P C 0.985 178.166 177.300 -0.198 0.000 1.150 52 P CA 0.589 63.598 63.100 -0.152 0.000 0.837 52 P CB 0.174 31.811 31.700 -0.104 0.000 0.786 53 R N -0.297 120.025 120.500 -0.297 0.000 2.801 53 R HA 0.356 4.701 4.340 0.009 0.000 0.273 53 R C 0.687 176.825 176.300 -0.270 0.000 1.080 53 R CA 0.256 56.196 56.100 -0.267 0.000 1.197 53 R CB -0.354 29.788 30.300 -0.263 0.000 1.109 53 R HN -0.007 nan 8.270 nan 0.000 0.535 54 S N -0.654 115.008 115.700 -0.063 0.000 2.578 54 S HA 0.266 4.741 4.470 0.009 0.000 0.301 54 S C 1.175 175.848 174.600 0.122 0.000 1.091 54 S CA -0.565 57.667 58.200 0.054 0.000 1.032 54 S CB 1.304 64.543 63.200 0.064 0.000 1.064 54 S HN 0.413 nan 8.310 nan 0.000 0.508 55 V N 1.554 121.464 119.914 -0.006 0.000 2.490 55 V HA 0.045 4.170 4.120 0.009 0.000 0.250 55 V C 1.212 177.145 176.094 -0.268 0.000 1.061 55 V CA 1.489 63.644 62.300 -0.242 0.000 1.064 55 V CB -1.224 30.230 31.823 -0.615 0.000 0.670 55 V HN 0.776 nan 8.190 nan 0.000 0.461 56 F N 1.078 121.042 119.950 0.024 0.000 2.676 56 F HA 0.403 4.936 4.527 0.010 0.000 0.300 56 F C 0.843 176.649 175.800 0.010 0.000 1.160 56 F CA -0.940 57.062 58.000 0.004 0.000 1.401 56 F CB -0.606 38.390 39.000 -0.007 0.000 1.037 56 F HN 0.216 nan 8.300 nan 0.000 0.522 57 D N 1.574 122.056 120.400 0.136 0.000 2.168 57 D HA 0.139 4.785 4.640 0.009 0.000 0.246 57 D C -1.517 174.825 176.300 0.070 0.000 1.050 57 D CA -1.931 52.124 54.000 0.091 0.000 0.857 57 D CB 2.482 43.315 40.800 0.056 0.000 1.169 57 D HN -0.049 nan 8.370 nan 0.000 0.453 58 P HA -0.120 nan 4.420 nan 0.000 0.214 58 P C -0.124 177.200 177.300 0.040 0.000 1.163 58 P CA 1.020 64.147 63.100 0.044 0.000 0.883 58 P CB 0.232 31.953 31.700 0.034 0.000 0.788 59 D N 0.341 120.761 120.400 0.034 0.000 2.845 59 D HA 0.382 5.028 4.640 0.009 0.000 0.235 59 D C -0.173 176.149 176.300 0.037 0.000 1.158 59 D CA 0.026 54.045 54.000 0.032 0.000 0.990 59 D CB -0.602 40.210 40.800 0.021 0.000 1.094 59 D HN 0.184 nan 8.370 nan 0.000 0.486 60 A N 2.226 125.081 122.820 0.058 0.000 2.288 60 A HA 0.523 4.848 4.320 0.009 0.000 0.320 60 A C -2.255 175.412 177.584 0.139 0.000 1.217 60 A CA -1.526 50.566 52.037 0.092 0.000 0.840 60 A CB 0.683 19.755 19.000 0.119 0.000 1.179 60 A HN 0.096 nan 8.150 nan 0.000 0.504 61 P HA 0.173 nan 4.420 nan 0.000 0.264 61 P C -0.899 176.586 177.300 0.308 0.000 1.193 61 P CA 0.220 63.484 63.100 0.274 0.000 0.763 61 P CB 0.571 32.499 31.700 0.381 0.000 0.810 62 R N 3.755 124.398 120.500 0.238 0.000 2.807 62 R HA 0.594 4.939 4.340 0.009 0.000 0.276 62 R C -2.433 174.010 176.300 0.239 0.000 0.979 62 R CA -2.230 53.970 56.100 0.167 0.000 0.928 62 R CB 1.473 31.816 30.300 0.071 0.000 1.191 62 R HN 0.396 nan 8.270 nan 0.000 0.471 63 P HA 0.069 nan 4.420 nan 0.000 0.282 63 P C -0.643 176.725 177.300 0.113 0.000 1.259 63 P CA -0.475 62.754 63.100 0.215 0.000 0.826 63 P CB 0.899 32.751 31.700 0.253 0.000 1.064 64 D N 2.262 122.716 120.400 0.090 0.000 2.533 64 D HA -0.053 4.592 4.640 0.009 0.000 0.236 64 D C -1.248 175.087 176.300 0.058 0.000 1.137 64 D CA -0.888 53.149 54.000 0.060 0.000 0.867 64 D CB 0.538 41.364 40.800 0.044 0.000 1.170 64 D HN 0.111 nan 8.370 nan 0.000 0.474 65 P HA -0.197 nan 4.420 nan 0.000 0.218 65 P C 0.604 177.935 177.300 0.053 0.000 1.165 65 P CA 1.393 64.517 63.100 0.041 0.000 0.922 65 P CB 0.168 31.887 31.700 0.030 0.000 0.794 66 R N -0.779 119.748 120.500 0.045 0.000 2.823 66 R HA 0.124 4.470 4.340 0.009 0.000 0.250 66 R C 1.596 177.929 176.300 0.054 0.000 1.332 66 R CA -0.115 56.011 56.100 0.044 0.000 1.259 66 R CB -1.403 28.910 30.300 0.023 0.000 1.225 66 R HN 0.272 nan 8.270 nan 0.000 0.545 67 L N -0.037 121.238 121.223 0.087 0.000 1.988 67 L HA -0.054 4.291 4.340 0.009 0.000 0.207 67 L C 1.565 178.524 176.870 0.149 0.000 1.071 67 L CA 1.652 56.558 54.840 0.110 0.000 0.744 67 L CB -0.480 41.658 42.059 0.133 0.000 0.893 67 L HN 0.146 nan 8.230 nan 0.000 0.433 68 F N -0.936 119.037 119.950 0.039 0.000 2.795 68 F HA 0.110 4.641 4.527 0.007 0.000 0.303 68 F C 1.759 177.589 175.800 0.050 0.000 1.186 68 F CA 0.426 58.459 58.000 0.056 0.000 1.415 68 F CB -0.303 38.729 39.000 0.054 0.000 1.106 68 F HN 0.123 nan 8.300 nan 0.000 0.558 69 S N -0.813 114.853 115.700 -0.056 0.000 2.506 69 S HA 0.145 4.621 4.470 0.009 0.000 0.245 69 S C 1.251 175.788 174.600 -0.104 0.000 1.088 69 S CA 0.449 58.583 58.200 -0.111 0.000 1.099 69 S CB -0.644 62.544 63.200 -0.020 0.000 0.805 69 S HN 0.415 nan 8.310 nan 0.000 0.461 70 S N -0.918 114.705 115.700 -0.129 0.000 2.554 70 S HA 0.417 4.892 4.470 0.009 0.000 0.227 70 S C 1.650 176.187 174.600 -0.105 0.000 1.050 70 S CA 0.597 58.750 58.200 -0.078 0.000 0.927 70 S CB -0.063 63.122 63.200 -0.025 0.000 0.859 70 S HN 1.111 nan 8.310 nan 0.000 0.494 71 G N 1.640 110.326 108.800 -0.191 0.000 2.212 71 G HA2 -0.251 3.715 3.960 0.009 0.000 0.266 71 G HA3 -0.251 3.715 3.960 0.009 0.000 0.266 71 G C 0.045 174.899 174.900 -0.077 0.000 0.978 71 G CA 0.390 45.387 45.100 -0.171 0.000 0.632 71 G HN 0.556 nan 8.290 nan 0.000 0.537 72 L N 1.704 122.910 121.223 -0.029 0.000 2.485 72 L HA 0.256 4.601 4.340 0.009 0.000 0.275 72 L C -1.522 175.400 176.870 0.086 0.000 1.207 72 L CA -1.538 53.319 54.840 0.028 0.000 0.855 72 L CB 0.354 42.443 42.059 0.050 0.000 1.114 72 L HN -0.050 nan 8.230 nan 0.000 0.485 73 P HA 0.080 nan 4.420 nan 0.000 0.264 73 P C -0.927 176.595 177.300 0.369 0.000 1.193 73 P CA 0.264 63.465 63.100 0.168 0.000 0.763 73 P CB 0.543 32.239 31.700 -0.006 0.000 0.810 74 L N 3.964 125.476 121.223 0.481 0.000 2.431 74 L HA 0.637 4.983 4.340 0.009 0.000 0.266 74 L C -1.619 175.391 176.870 0.235 0.000 0.978 74 L CA -1.126 53.967 54.840 0.421 0.000 0.822 74 L CB 1.892 44.144 42.059 0.322 0.000 1.310 74 L HN 0.132 nan 8.230 nan 0.000 0.409 75 L N 4.150 125.290 121.223 -0.138 0.000 2.372 75 L HA 0.736 5.082 4.340 0.009 0.000 0.273 75 L C -0.258 176.493 176.870 -0.198 0.000 0.989 75 L CA 0.009 54.569 54.840 -0.468 0.000 0.841 75 L CB 1.530 42.772 42.059 -1.361 0.000 1.225 75 L HN 0.578 nan 8.230 nan 0.000 0.414 76 G N 5.977 114.712 108.800 -0.109 0.000 2.322 76 G HA2 0.556 4.521 3.960 0.009 0.000 0.309 76 G HA3 0.556 4.521 3.960 0.009 0.000 0.309 76 G C -0.641 174.170 174.900 -0.148 0.000 1.121 76 G CA -0.397 44.647 45.100 -0.093 0.000 0.886 76 G HN 0.596 nan 8.290 nan 0.000 0.447 77 I N 2.644 123.142 120.570 -0.119 0.000 2.328 77 I HA 0.169 4.344 4.170 0.009 0.000 0.287 77 I C 1.006 177.020 176.117 -0.171 0.000 1.012 77 I CA -0.397 60.801 61.300 -0.169 0.000 1.195 77 I CB 0.749 38.689 38.000 -0.100 0.000 1.350 77 I HN 0.687 nan 8.210 nan 0.000 0.464 78 C N 4.425 123.584 119.300 -0.235 0.000 5.873 78 C HA -0.380 4.085 4.460 0.009 0.000 0.327 78 C C 2.070 177.007 174.990 -0.088 0.000 2.428 78 C CA 1.286 60.207 59.018 -0.161 0.000 2.193 78 C CB -1.646 25.974 27.740 -0.199 0.000 3.236 78 C HN 0.838 nan 8.230 nan 0.000 0.269 79 Y N 3.897 124.120 120.300 -0.129 0.000 2.716 79 Y HA 0.260 4.815 4.550 0.008 0.000 0.302 79 Y C 1.283 177.020 175.900 -0.272 0.000 1.160 79 Y CA 1.376 59.372 58.100 -0.172 0.000 1.362 79 Y CB -0.834 37.558 38.460 -0.113 0.000 0.988 79 Y HN 0.646 nan 8.280 nan 0.000 0.546 83 L N 0.957 121.862 121.223 -0.530 0.000 2.012 83 L HA -0.178 4.167 4.340 0.009 0.000 0.210 83 L C 2.208 178.837 176.870 -0.402 0.000 1.073 83 L CA 1.342 55.865 54.840 -0.527 0.000 0.748 83 L CB -0.313 41.374 42.059 -0.619 0.000 0.891 83 L HN 0.226 nan 8.230 nan 0.000 0.431 84 L N -0.110 120.887 121.223 -0.377 0.000 2.079 84 L HA -0.197 4.149 4.340 0.009 0.000 0.210 84 L C 2.536 179.069 176.870 -0.561 0.000 1.081 84 L CA 1.986 56.571 54.840 -0.426 0.000 0.752 84 L CB -0.628 41.237 42.059 -0.323 0.000 0.896 84 L HN 0.189 nan 8.230 nan 0.000 0.433 85 A N -0.597 121.946 122.820 -0.462 0.000 1.840 85 A HA -0.230 4.096 4.320 0.009 0.000 0.214 85 A C 2.131 179.491 177.584 -0.373 0.000 1.198 85 A CA 1.430 53.199 52.037 -0.446 0.000 0.608 85 A CB -0.718 18.093 19.000 -0.315 0.000 0.839 85 A HN 0.674 nan 8.150 nan 0.000 0.443 86 Q N -0.833 118.782 119.800 -0.309 0.000 2.170 86 Q HA -0.126 4.220 4.340 0.009 0.000 0.203 86 Q C 1.209 177.072 176.000 -0.227 0.000 0.976 86 Q CA 1.391 57.052 55.803 -0.236 0.000 0.858 86 Q CB -0.404 28.201 28.738 -0.221 0.000 0.907 86 Q HN 0.576 nan 8.270 nan 0.000 0.433 87 E N 0.499 120.538 120.200 -0.268 0.000 2.516 87 E HA 0.014 4.369 4.350 0.009 0.000 0.199 87 E C 1.030 177.487 176.600 -0.238 0.000 1.069 87 E CA 0.593 56.863 56.400 -0.217 0.000 0.876 87 E CB 0.319 29.894 29.700 -0.209 0.000 0.843 87 E HN 0.489 nan 8.360 nan 0.000 0.530 88 L N -0.999 120.019 121.223 -0.342 0.000 3.333 88 L HA 0.262 4.607 4.340 0.009 0.000 0.299 88 L C 0.917 177.607 176.870 -0.300 0.000 1.256 88 L CA 0.146 54.767 54.840 -0.366 0.000 1.037 88 L CB 0.975 42.620 42.059 -0.690 0.000 1.423 88 L HN 0.128 nan 8.230 nan 0.000 0.605 89 G N -0.143 108.520 108.800 -0.228 0.000 2.179 89 G HA2 -0.196 3.769 3.960 0.009 0.000 0.220 89 G HA3 -0.196 3.769 3.960 0.009 0.000 0.220 89 G C 0.465 175.261 174.900 -0.173 0.000 0.990 89 G CA -0.234 44.766 45.100 -0.166 0.000 0.646 89 G HN 0.485 nan 8.290 nan 0.000 0.517 90 G N -0.829 107.832 108.800 -0.232 0.000 0.000 90 G HA2 0.632 4.598 3.960 0.009 0.000 0.000 90 G HA3 0.632 4.598 3.960 0.009 0.000 0.000 90 G C -0.201 174.622 174.900 -0.129 0.000 0.000 90 G CA -0.348 44.635 45.100 -0.196 0.000 0.000 90 G HN 0.499 nan 8.290 nan 0.000 0.000 91 R N -0.709 119.738 120.500 -0.088 0.000 2.439 91 R HA 0.495 4.841 4.340 0.009 0.000 0.310 91 R C -0.809 175.490 176.300 -0.002 0.000 0.955 91 R CA -0.530 55.552 56.100 -0.031 0.000 0.853 91 R CB 1.607 31.900 30.300 -0.012 0.000 1.171 91 R HN 0.511 nan 8.270 nan 0.000 0.449 92 V N 0.418 120.364 119.914 0.053 0.000 2.581 92 V HA 0.684 4.809 4.120 0.009 0.000 0.303 92 V C -0.605 175.812 176.094 0.539 0.000 1.041 92 V CA -0.631 61.727 62.300 0.096 0.000 0.907 92 V CB 1.854 33.578 31.823 -0.166 0.000 0.994 92 V HN 0.832 nan 8.190 nan 0.000 0.442 93 E N 2.231 122.704 120.200 0.455 0.000 2.393 93 E HA 0.535 4.890 4.350 0.009 0.000 0.273 93 E C -1.048 175.857 176.600 0.508 0.000 0.918 93 E CA -1.106 55.542 56.400 0.414 0.000 0.773 93 E CB 2.609 32.356 29.700 0.078 0.000 1.275 93 E HN 0.687 nan 8.360 nan 0.000 0.451 94 R N 0.741 121.371 120.500 0.216 0.000 2.442 94 R HA 0.528 4.874 4.340 0.009 0.000 0.291 94 R C -0.850 175.508 176.300 0.097 0.000 1.069 94 R CA 0.101 56.336 56.100 0.226 0.000 1.022 94 R CB 0.737 31.076 30.300 0.066 0.000 0.976 94 R HN 0.471 nan 8.270 nan 0.000 0.443 95 A N 2.146 125.017 122.820 0.085 0.000 2.547 95 A HA 0.641 4.966 4.320 0.009 0.000 0.297 95 A C -0.017 177.578 177.584 0.018 0.000 1.056 95 A CA -0.095 51.961 52.037 0.032 0.000 0.688 95 A CB 1.546 20.562 19.000 0.028 0.000 1.282 95 A HN 0.869 nan 8.150 nan 0.000 0.400 96 G N 1.326 110.116 108.800 -0.016 0.000 2.591 96 G HA2 0.004 3.970 3.960 0.009 0.000 0.278 96 G HA3 0.004 3.970 3.960 0.009 0.000 0.278 96 G C 0.049 174.944 174.900 -0.008 0.000 1.293 96 G CA 0.760 45.842 45.100 -0.031 0.000 0.930 96 G HN 2.029 nan 8.290 nan 0.000 0.562 97 R N -1.349 119.147 120.500 -0.007 0.000 2.867 97 R HA 0.771 5.116 4.340 0.009 0.000 0.268 97 R C 0.042 176.319 176.300 -0.037 0.000 1.014 97 R CA -0.421 55.669 56.100 -0.016 0.000 0.946 97 R CB 1.467 31.753 30.300 -0.023 0.000 1.208 97 R HN 1.709 nan 8.270 nan 0.000 0.477 98 A N 1.870 124.645 122.820 -0.073 0.000 2.618 98 A HA 0.148 4.473 4.320 0.009 0.000 0.293 98 A C -0.347 177.094 177.584 -0.239 0.000 1.413 98 A CA 0.285 52.230 52.037 -0.154 0.000 1.074 98 A CB -0.897 18.020 19.000 -0.138 0.000 1.087 98 A HN 0.785 nan 8.150 nan 0.000 0.553 99 E N 1.177 121.179 120.200 -0.330 0.000 2.407 99 E HA 0.593 4.948 4.350 0.009 0.000 0.279 99 E C -1.725 174.500 176.600 -0.625 0.000 1.012 99 E CA -0.894 55.267 56.400 -0.398 0.000 0.800 99 E CB 0.712 30.337 29.700 -0.126 0.000 1.276 99 E HN 0.332 nan 8.360 nan 0.000 0.452 100 Y N 0.103 120.156 120.300 -0.411 0.000 2.534 100 Y HA 0.824 5.379 4.550 0.008 0.000 0.329 100 Y C 0.694 175.987 175.900 -1.012 0.000 1.154 100 Y CA -0.222 57.310 58.100 -0.947 0.000 1.192 100 Y CB 2.455 40.035 38.460 -1.466 0.000 1.275 100 Y HN 0.779 nan 8.280 nan 0.000 0.491 101 G N 0.968 109.154 108.800 -1.024 0.000 2.733 101 G HA2 0.414 4.379 3.960 0.009 0.000 0.297 101 G HA3 0.414 4.379 3.960 0.009 0.000 0.297 101 G C -1.819 172.947 174.900 -0.224 0.000 1.452 101 G CA -1.264 43.545 45.100 -0.485 0.000 0.940 101 G HN 0.410 nan 8.290 nan 0.000 0.547 102 K N 0.001 120.449 120.400 0.080 0.000 2.295 102 K HA 0.657 4.982 4.320 0.009 0.000 0.270 102 K C 0.066 176.731 176.600 0.109 0.000 1.011 102 K CA 0.154 56.554 56.287 0.189 0.000 0.953 102 K CB 1.511 34.123 32.500 0.187 0.000 0.956 102 K HN 0.879 nan 8.250 nan 0.000 0.477 103 A N 2.394 125.272 122.820 0.096 0.000 2.594 103 A HA 0.399 4.724 4.320 0.009 0.000 0.296 103 A C -1.375 176.228 177.584 0.032 0.000 1.061 103 A CA -0.836 51.243 52.037 0.071 0.000 0.689 103 A CB 0.886 19.943 19.000 0.095 0.000 1.280 103 A HN 0.566 nan 8.150 nan 0.000 0.406 104 L N 1.945 123.183 121.223 0.024 0.000 2.312 104 L HA 0.396 4.742 4.340 0.009 0.000 0.281 104 L C -0.349 176.523 176.870 0.003 0.000 1.070 104 L CA -0.572 54.269 54.840 0.001 0.000 0.805 104 L CB 1.198 43.263 42.059 0.009 0.000 1.174 104 L HN 0.621 nan 8.230 nan 0.000 0.434 105 L N 2.865 124.077 121.223 -0.018 0.000 2.325 105 L HA 0.052 4.397 4.340 0.009 0.000 0.284 105 L C 1.515 178.402 176.870 0.028 0.000 1.089 105 L CA -0.002 54.839 54.840 0.001 0.000 0.836 105 L CB 1.021 43.051 42.059 -0.048 0.000 1.184 105 L HN 0.706 nan 8.230 nan 0.000 0.444 106 T N 3.650 118.210 114.554 0.011 0.000 3.007 106 T HA -0.051 4.304 4.350 0.009 0.000 0.270 106 T C 0.775 175.443 174.700 -0.054 0.000 1.107 106 T CA 1.020 63.115 62.100 -0.009 0.000 1.118 106 T CB -0.045 68.820 68.868 -0.005 0.000 0.889 106 T HN 0.567 nan 8.240 nan 0.000 0.506 107 R N 0.087 120.542 120.500 -0.075 0.000 2.629 107 R HA 0.418 4.763 4.340 0.009 0.000 0.266 107 R C -2.111 174.050 176.300 -0.232 0.000 1.051 107 R CA -0.739 55.247 56.100 -0.190 0.000 0.895 107 R CB 1.210 31.441 30.300 -0.115 0.000 1.246 107 R HN 0.600 nan 8.270 nan 0.000 0.459 108 H N 0.284 119.191 119.070 -0.272 0.000 3.188 108 H HA 0.440 5.001 4.556 0.009 0.000 0.325 108 H C -1.689 173.514 175.328 -0.209 0.000 1.033 108 H CA -0.907 54.795 56.048 -0.575 0.000 1.443 108 H CB 1.103 30.271 29.762 -0.991 0.000 1.968 108 H HN 0.539 nan 8.280 nan 0.000 0.449 109 E N 1.983 122.247 120.200 0.106 0.000 2.392 109 E HA 0.686 5.041 4.350 0.009 0.000 0.269 109 E C -0.298 176.551 176.600 0.416 0.000 0.924 109 E CA -1.074 55.464 56.400 0.230 0.000 0.784 109 E CB 2.725 32.492 29.700 0.110 0.000 1.292 109 E HN 1.092 nan 8.360 nan 0.000 0.447 110 G N 1.461 110.430 108.800 0.281 0.000 2.699 110 G HA2 -0.149 3.816 3.960 0.009 0.000 0.686 110 G HA3 -0.149 3.816 3.960 0.009 0.000 0.686 110 G C -2.111 172.902 174.900 0.188 0.000 1.301 110 G CA -0.554 44.690 45.100 0.239 0.000 0.816 110 G HN 0.439 nan 8.290 nan 0.000 0.595 111 P HA -0.068 nan 4.420 nan 0.000 0.225 111 P C 1.987 179.224 177.300 -0.104 0.000 1.148 111 P CA 1.032 64.147 63.100 0.025 0.000 0.779 111 P CB 0.194 31.912 31.700 0.031 0.000 0.780 112 L N -1.409 119.653 121.223 -0.267 0.000 2.362 112 L HA 0.050 4.396 4.340 0.009 0.000 0.219 112 L C 1.170 177.655 176.870 -0.642 0.000 1.134 112 L CA 1.561 56.035 54.840 -0.611 0.000 0.807 112 L CB -0.913 40.575 42.059 -0.951 0.000 0.927 112 L HN -0.226 nan 8.230 nan 0.000 0.447 113 F N -0.249 119.713 119.950 0.020 0.000 2.772 113 F HA 0.358 4.891 4.527 0.010 0.000 0.302 113 F C 0.832 176.648 175.800 0.028 0.000 1.136 113 F CA -0.756 57.265 58.000 0.034 0.000 1.322 113 F CB -0.311 38.756 39.000 0.111 0.000 0.967 113 F HN -0.228 nan 8.300 nan 0.000 0.513 114 R N 0.192 120.754 120.500 0.104 0.000 2.570 114 R HA 0.323 4.668 4.340 0.009 0.000 0.277 114 R C 1.388 177.725 176.300 0.061 0.000 1.039 114 R CA 0.962 57.111 56.100 0.081 0.000 1.065 114 R CB 0.166 30.487 30.300 0.035 0.000 0.964 114 R HN 0.544 nan 8.270 nan 0.000 0.428 115 G N 2.227 111.064 108.800 0.061 0.000 2.234 115 G HA2 -0.279 3.687 3.960 0.009 0.000 0.260 115 G HA3 -0.279 3.687 3.960 0.009 0.000 0.260 115 G C 0.114 175.029 174.900 0.026 0.000 0.987 115 G CA -0.139 44.983 45.100 0.037 0.000 0.625 115 G HN 0.444 nan 8.290 nan 0.000 0.532 116 L N 1.873 123.114 121.223 0.030 0.000 2.648 116 L HA 0.539 4.885 4.340 0.009 0.000 0.238 116 L C 0.533 177.360 176.870 -0.073 0.000 1.316 116 L CA -0.028 54.781 54.840 -0.052 0.000 1.241 116 L CB 0.398 42.396 42.059 -0.101 0.000 1.499 116 L HN 0.198 nan 8.230 nan 0.000 0.411 117 E N 0.517 120.728 120.200 0.019 0.000 2.319 117 E HA 0.721 5.077 4.350 0.009 0.000 0.268 117 E C 0.765 177.389 176.600 0.040 0.000 1.050 117 E CA 0.481 56.928 56.400 0.080 0.000 0.878 117 E CB 1.053 30.794 29.700 0.069 0.000 1.066 117 E HN 0.415 nan 8.360 nan 0.000 0.406 118 G N 1.474 110.322 108.800 0.080 0.000 2.698 118 G HA2 -0.217 3.749 3.960 0.009 0.000 0.225 118 G HA3 -0.217 3.749 3.960 0.009 0.000 0.225 118 G C -0.755 174.172 174.900 0.044 0.000 1.345 118 G CA -0.345 44.784 45.100 0.047 0.000 0.871 118 G HN 0.722 nan 8.290 nan 0.000 0.540 119 E N -1.309 118.901 120.200 0.016 0.000 2.392 119 E HA 0.450 4.805 4.350 0.009 0.000 0.264 119 E C -0.219 176.349 176.600 -0.053 0.000 1.024 119 E CA -0.551 55.849 56.400 0.000 0.000 0.903 119 E CB 1.330 31.029 29.700 -0.002 0.000 0.963 119 E HN 0.776 nan 8.360 nan 0.000 0.432 120 V N 3.470 123.334 119.914 -0.084 0.000 2.409 120 V HA 0.147 4.272 4.120 0.009 0.000 0.290 120 V C -0.334 175.681 176.094 -0.131 0.000 1.017 120 V CA -0.721 61.489 62.300 -0.150 0.000 0.841 120 V CB 1.054 32.713 31.823 -0.273 0.000 1.003 120 V HN 0.775 nan 8.190 nan 0.000 0.426 121 Q N 4.055 123.790 119.800 -0.107 0.000 2.278 121 Q HA 0.705 5.051 4.340 0.009 0.000 0.257 121 Q C -0.823 175.106 176.000 -0.118 0.000 0.928 121 Q CA -0.443 55.316 55.803 -0.074 0.000 0.932 121 Q CB 1.998 30.726 28.738 -0.017 0.000 1.221 121 Q HN 0.778 nan 8.270 nan 0.000 0.434 122 V N 1.095 120.939 119.914 -0.116 0.000 2.960 122 V HA 0.614 4.739 4.120 0.009 0.000 0.315 122 V C -0.610 175.601 176.094 0.196 0.000 1.087 122 V CA -1.070 61.144 62.300 -0.143 0.000 0.982 122 V CB 1.677 33.126 31.823 -0.624 0.000 1.039 122 V HN 0.967 nan 8.190 nan 0.000 0.437 126 H N 0.599 119.625 119.070 -0.073 0.000 2.986 126 H HA 0.233 4.794 4.556 0.009 0.000 0.267 126 H C 0.376 175.675 175.328 -0.049 0.000 1.072 126 H CA -0.211 55.798 56.048 -0.064 0.000 1.202 126 H CB 0.694 30.399 29.762 -0.095 0.000 1.535 126 H HN 0.619 nan 8.280 nan 0.000 0.522 127 Q N 2.161 121.998 119.800 0.061 0.000 2.296 127 Q HA 0.124 4.469 4.340 0.009 0.000 0.263 127 Q C -0.607 175.424 176.000 0.052 0.000 1.026 127 Q CA -0.457 55.367 55.803 0.035 0.000 0.912 127 Q CB 0.720 29.456 28.738 -0.003 0.000 1.198 127 Q HN 0.143 nan 8.270 nan 0.000 0.407 128 D N 1.120 121.560 120.400 0.066 0.000 3.582 128 D HA -0.217 4.428 4.640 0.009 0.000 0.258 128 D C -0.711 175.626 176.300 0.061 0.000 1.930 128 D CA 1.351 55.404 54.000 0.088 0.000 1.144 128 D CB -1.080 39.757 40.800 0.062 0.000 0.858 128 D HN 0.985 nan 8.370 nan 0.000 1.045 129 A N -1.144 121.706 122.820 0.049 0.000 2.590 129 A HA 0.552 4.878 4.320 0.009 0.000 0.294 129 A C -1.007 176.582 177.584 0.008 0.000 1.046 129 A CA -0.159 51.897 52.037 0.032 0.000 0.684 129 A CB 1.388 20.413 19.000 0.041 0.000 1.279 129 A HN 1.195 nan 8.150 nan 0.000 0.415 130 V N 0.275 120.182 119.914 -0.012 0.000 2.347 130 V HA 0.655 4.780 4.120 0.009 0.000 0.280 130 V C 0.585 176.673 176.094 -0.010 0.000 1.021 130 V CA 0.401 62.681 62.300 -0.033 0.000 0.847 130 V CB 0.216 31.999 31.823 -0.066 0.000 0.990 130 V HN 0.933 nan 8.190 nan 0.000 0.444 131 T N 3.079 117.630 114.554 -0.006 0.000 2.978 131 T HA 0.444 4.800 4.350 0.009 0.000 0.262 131 T C 0.774 175.468 174.700 -0.010 0.000 1.063 131 T CA 1.172 63.271 62.100 -0.001 0.000 1.140 131 T CB 0.239 69.109 68.868 0.004 0.000 0.886 131 T HN 1.248 nan 8.240 nan 0.000 0.470 132 A N 2.093 124.896 122.820 -0.029 0.000 2.486 132 A HA 0.702 5.028 4.320 0.009 0.000 0.300 132 A C -2.979 174.560 177.584 -0.075 0.000 1.048 132 A CA -1.860 50.155 52.037 -0.037 0.000 0.696 132 A CB 1.549 20.526 19.000 -0.037 0.000 1.278 132 A HN -0.015 nan 8.150 nan 0.000 0.405 133 P HA 0.437 nan 4.420 nan 0.000 0.284 133 P C -2.828 174.336 177.300 -0.227 0.000 1.258 133 P CA -1.731 61.297 63.100 -0.120 0.000 0.824 133 P CB 0.280 31.990 31.700 0.018 0.000 1.038 134 P HA 0.040 nan 4.420 nan 0.000 0.261 134 P C -2.250 174.832 177.300 -0.363 0.000 1.173 134 P CA -0.251 62.452 63.100 -0.661 0.000 0.760 134 P CB -1.252 29.584 31.700 -1.440 0.000 0.783 135 P HA -0.031 nan 4.420 nan 0.000 0.255 135 P C 0.900 178.284 177.300 0.140 0.000 1.161 135 P CA 1.797 64.893 63.100 -0.007 0.000 0.768 135 P CB -0.236 31.456 31.700 -0.013 0.000 0.746 136 G N 0.944 109.860 108.800 0.194 0.000 2.134 136 G HA2 -0.168 3.797 3.960 0.009 0.000 0.209 136 G HA3 -0.168 3.797 3.960 0.009 0.000 0.209 136 G C -0.731 174.396 174.900 0.378 0.000 0.993 136 G CA -0.865 44.388 45.100 0.256 0.000 0.669 136 G HN 0.321 nan 8.290 nan 0.000 0.519 137 W N 0.386 121.672 121.300 -0.023 0.000 2.761 137 W HA 0.860 5.523 4.660 0.005 0.000 0.340 137 W C 0.334 176.846 176.519 -0.011 0.000 1.072 137 W CA -1.248 56.078 57.345 -0.032 0.000 1.215 137 W CB 1.001 30.422 29.460 -0.064 0.000 1.420 137 W HN -0.030 nan 8.180 nan 0.000 0.519 138 R N 1.062 121.680 120.500 0.197 0.000 2.758 138 R HA 0.639 4.985 4.340 0.009 0.000 0.265 138 R C -0.764 175.635 176.300 0.166 0.000 1.016 138 R CA -1.208 54.978 56.100 0.143 0.000 1.040 138 R CB 0.874 31.232 30.300 0.095 0.000 1.152 138 R HN 0.359 nan 8.270 nan 0.000 0.503 139 V N -0.025 119.970 119.914 0.136 0.000 2.318 139 V HA 0.221 4.346 4.120 0.009 0.000 0.271 139 V C 1.076 177.262 176.094 0.154 0.000 1.030 139 V CA -0.709 61.676 62.300 0.142 0.000 0.844 139 V CB 0.834 32.717 31.823 0.100 0.000 1.015 139 V HN 0.589 nan 8.190 nan 0.000 0.460 140 V N 1.223 121.273 119.914 0.226 0.000 3.633 140 V HA 0.835 4.960 4.120 0.009 0.000 0.283 140 V C 0.725 176.962 176.094 0.239 0.000 1.305 140 V CA 0.610 63.078 62.300 0.281 0.000 1.153 140 V CB -0.851 31.235 31.823 0.439 0.000 0.950 140 V HN 1.563 nan 8.190 nan 0.000 0.432 141 A N 0.583 123.505 122.820 0.169 0.000 2.590 141 A HA 0.761 5.087 4.320 0.009 0.000 0.294 141 A C -0.853 176.788 177.584 0.094 0.000 1.046 141 A CA -0.174 51.896 52.037 0.056 0.000 0.684 141 A CB 1.343 20.357 19.000 0.024 0.000 1.279 141 A HN 0.703 nan 8.150 nan 0.000 0.415 142 E N -0.595 119.638 120.200 0.055 0.000 2.432 142 E HA 0.732 5.087 4.350 0.009 0.000 0.279 142 E C -0.560 176.073 176.600 0.054 0.000 1.099 142 E CA -0.458 55.984 56.400 0.070 0.000 0.859 142 E CB 1.399 31.128 29.700 0.048 0.000 1.402 142 E HN 1.072 nan 8.360 nan 0.000 0.451 143 T N -3.077 111.513 114.554 0.061 0.000 2.762 143 T HA 0.328 4.684 4.350 0.009 0.000 0.272 143 T C 0.773 175.494 174.700 0.035 0.000 0.982 143 T CA -0.401 61.729 62.100 0.050 0.000 1.013 143 T CB 1.594 70.505 68.868 0.072 0.000 1.309 143 T HN 0.682 nan 8.240 nan 0.000 0.572 144 E N -0.108 120.110 120.200 0.029 0.000 2.107 144 E HA -0.125 4.230 4.350 0.009 0.000 0.191 144 E C 1.258 177.869 176.600 0.017 0.000 0.982 144 E CA 0.857 57.268 56.400 0.019 0.000 0.809 144 E CB 0.097 29.806 29.700 0.015 0.000 0.756 144 E HN 0.562 nan 8.360 nan 0.000 0.459 145 E N 0.408 120.622 120.200 0.023 0.000 2.479 145 E HA 0.055 4.410 4.350 0.009 0.000 0.193 145 E C 0.022 176.633 176.600 0.019 0.000 1.049 145 E CA 0.132 56.539 56.400 0.011 0.000 0.870 145 E CB 0.315 30.014 29.700 -0.002 0.000 0.944 145 E HN 0.052 nan 8.360 nan 0.000 0.492 146 N N 0.414 119.138 118.700 0.039 0.000 2.571 146 N HA 0.165 4.910 4.740 0.009 0.000 0.286 146 N C -2.529 173.010 175.510 0.049 0.000 1.138 146 N CA -1.671 51.407 53.050 0.047 0.000 0.859 146 N CB 1.960 40.492 38.487 0.075 0.000 1.414 146 N HN -0.313 nan 8.380 nan 0.000 0.529 147 P HA 0.003 nan 4.420 nan 0.000 0.230 147 P C -0.255 177.073 177.300 0.047 0.000 1.158 147 P CA 0.825 63.946 63.100 0.035 0.000 0.769 147 P CB 0.430 32.144 31.700 0.024 0.000 0.807 148 V N -0.906 119.041 119.914 0.055 0.000 2.380 148 V HA 0.449 4.575 4.120 0.009 0.000 0.268 148 V C 0.899 177.045 176.094 0.086 0.000 1.008 148 V CA -0.280 62.059 62.300 0.066 0.000 0.823 148 V CB 0.560 32.408 31.823 0.042 0.000 1.053 148 V HN -0.058 nan 8.190 nan 0.000 0.446 149 A N 2.829 125.725 122.820 0.126 0.000 1.956 149 A HA 0.794 5.119 4.320 0.009 0.000 0.212 149 A C 1.120 178.808 177.584 0.173 0.000 1.188 149 A CA 0.992 53.138 52.037 0.182 0.000 0.675 149 A CB 0.295 19.450 19.000 0.259 0.000 0.845 149 A HN 1.107 nan 8.150 nan 0.000 0.455 150 A N -0.419 122.529 122.820 0.213 0.000 2.539 150 A HA 0.686 5.011 4.320 0.009 0.000 0.296 150 A C -0.843 176.880 177.584 0.232 0.000 1.073 150 A CA -0.420 51.753 52.037 0.227 0.000 0.700 150 A CB 0.882 20.159 19.000 0.461 0.000 1.296 150 A HN 0.895 nan 8.150 nan 0.000 0.405 151 I N -1.300 119.407 120.570 0.228 0.000 2.619 151 I HA 0.874 5.049 4.170 0.009 0.000 0.292 151 I C -0.256 176.038 176.117 0.295 0.000 1.100 151 I CA -0.917 60.551 61.300 0.280 0.000 1.043 151 I CB 2.134 40.304 38.000 0.285 0.000 1.239 151 I HN 0.778 nan 8.210 nan 0.000 0.420 152 A N 3.993 126.911 122.820 0.164 0.000 2.337 152 A HA 0.776 5.101 4.320 0.009 0.000 0.329 152 A C 0.143 177.332 177.584 -0.659 0.000 1.146 152 A CA -0.395 51.496 52.037 -0.243 0.000 0.800 152 A CB 1.359 20.330 19.000 -0.047 0.000 1.220 152 A HN 0.983 nan 8.150 nan 0.000 0.472 153 S N 2.598 117.424 115.700 -1.457 0.000 2.608 153 S HA 0.374 4.849 4.470 0.009 0.000 0.261 153 S C -1.264 172.824 174.600 -0.854 0.000 1.314 153 S CA -0.298 56.712 58.200 -1.983 0.000 0.992 153 S CB 0.480 62.651 63.200 -1.715 0.000 0.935 153 S HN 0.551 nan 8.310 nan 0.000 0.564 154 P HA -0.125 nan 4.420 nan 0.000 0.216 154 P C 0.766 177.953 177.300 -0.189 0.000 1.153 154 P CA 1.799 64.762 63.100 -0.229 0.000 0.844 154 P CB -0.428 31.222 31.700 -0.083 0.000 0.787 155 D N -0.999 119.281 120.400 -0.199 0.000 2.219 155 D HA 0.025 4.670 4.640 0.009 0.000 0.205 155 D C 1.465 177.670 176.300 -0.158 0.000 0.970 155 D CA 1.162 55.080 54.000 -0.136 0.000 0.851 155 D CB -1.077 39.660 40.800 -0.105 0.000 0.943 155 D HN 0.309 nan 8.370 nan 0.000 0.488 156 G N 0.459 109.087 108.800 -0.286 0.000 2.132 156 G HA2 -0.352 3.613 3.960 0.009 0.000 0.228 156 G HA3 -0.352 3.613 3.960 0.009 0.000 0.228 156 G C 0.819 175.586 174.900 -0.221 0.000 1.000 156 G CA 0.192 45.127 45.100 -0.275 0.000 0.693 156 G HN 0.500 nan 8.290 nan 0.000 0.515 157 R N -0.373 119.969 120.500 -0.263 0.000 2.476 157 R HA 0.639 4.985 4.340 0.009 0.000 0.276 157 R C 0.770 177.037 176.300 -0.056 0.000 0.941 157 R CA 0.863 56.927 56.100 -0.060 0.000 1.088 157 R CB 0.298 30.581 30.300 -0.028 0.000 1.216 157 R HN 0.806 nan 8.270 nan 0.000 0.533 158 A N 0.456 123.004 122.820 -0.453 0.000 2.371 158 A HA 0.650 4.975 4.320 0.009 0.000 0.311 158 A C -1.733 175.406 177.584 -0.742 0.000 1.068 158 A CA -0.488 51.361 52.037 -0.313 0.000 0.744 158 A CB 0.809 19.709 19.000 -0.166 0.000 1.239 158 A HN 0.243 nan 8.150 nan 0.000 0.435 159 Y N 0.018 120.322 120.300 0.007 0.000 2.534 159 Y HA 0.649 5.205 4.550 0.009 0.000 0.345 159 Y C 0.556 176.451 175.900 -0.008 0.000 1.031 159 Y CA -0.456 57.631 58.100 -0.023 0.000 1.022 159 Y CB 2.828 41.227 38.460 -0.101 0.000 1.292 159 Y HN 0.947 nan 8.280 nan 0.000 0.459 160 G N 0.856 109.765 108.800 0.182 0.000 2.617 160 G HA2 0.613 4.578 3.960 0.009 0.000 0.306 160 G HA3 0.613 4.578 3.960 0.009 0.000 0.306 160 G C -1.733 173.128 174.900 -0.065 0.000 1.360 160 G CA -0.945 44.171 45.100 0.027 0.000 0.983 160 G HN 0.735 nan 8.290 nan 0.000 0.496 161 V N 0.416 120.185 119.914 -0.243 0.000 2.656 161 V HA 0.602 4.727 4.120 0.009 0.000 0.307 161 V C 0.420 176.224 176.094 -0.485 0.000 1.051 161 V CA -0.992 61.003 62.300 -0.508 0.000 0.893 161 V CB 1.946 33.174 31.823 -0.992 0.000 0.999 161 V HN 0.632 nan 8.190 nan 0.000 0.426 162 Q N 2.643 122.215 119.800 -0.380 0.000 2.365 162 Q HA 0.339 4.684 4.340 0.009 0.000 0.203 162 Q C -0.237 175.732 176.000 -0.051 0.000 0.929 162 Q CA 0.401 56.120 55.803 -0.139 0.000 0.948 162 Q CB -0.219 28.540 28.738 0.034 0.000 1.043 162 Q HN 0.853 nan 8.270 nan 0.000 0.505 163 F N -2.930 117.041 119.950 0.035 0.000 2.620 163 F HA 0.555 5.088 4.527 0.011 0.000 0.320 163 F C -0.844 174.981 175.800 0.041 0.000 1.069 163 F CA -1.664 56.387 58.000 0.085 0.000 0.953 163 F CB 0.633 39.719 39.000 0.144 0.000 1.322 163 F HN -0.193 nan 8.300 nan 0.000 0.479 164 H N 2.141 121.477 119.070 0.443 0.000 2.872 164 H HA 0.286 4.847 4.556 0.009 0.000 0.273 164 H C -1.939 173.572 175.328 0.305 0.000 1.205 164 H CA -1.785 54.444 56.048 0.302 0.000 1.342 164 H CB 0.698 30.605 29.762 0.242 0.000 1.469 164 H HN 0.388 nan 8.280 nan 0.000 0.487 165 P HA -0.128 nan 4.420 nan 0.000 0.242 165 P C 0.781 178.148 177.300 0.112 0.000 1.197 165 P CA 0.713 63.990 63.100 0.296 0.000 0.765 165 P CB 0.594 32.484 31.700 0.317 0.000 0.936 166 E N 0.500 120.748 120.200 0.080 0.000 2.442 166 E HA 0.024 4.380 4.350 0.009 0.000 0.195 166 E C 0.875 177.388 176.600 -0.144 0.000 1.030 166 E CA 0.211 56.605 56.400 -0.010 0.000 0.869 166 E CB -0.615 29.109 29.700 0.039 0.000 0.857 166 E HN 0.153 nan 8.360 nan 0.000 0.505 167 V N -2.364 117.404 119.914 -0.244 0.000 2.834 167 V HA 0.679 4.804 4.120 0.009 0.000 0.313 167 V C 1.471 177.327 176.094 -0.397 0.000 1.060 167 V CA -0.229 61.796 62.300 -0.457 0.000 0.989 167 V CB 1.426 32.746 31.823 -0.839 0.000 1.041 167 V HN 0.020 nan 8.190 nan 0.000 0.459 168 A N 0.797 123.315 122.820 -0.504 0.000 2.024 168 A HA -0.162 4.164 4.320 0.009 0.000 0.220 168 A C 1.708 179.011 177.584 -0.468 0.000 1.164 168 A CA 1.782 53.538 52.037 -0.467 0.000 0.643 168 A CB -1.141 17.544 19.000 -0.524 0.000 0.806 168 A HN 1.035 nan 8.150 nan 0.000 0.451 169 H N -0.434 118.364 119.070 -0.454 0.000 2.567 169 H HA 0.025 4.586 4.556 0.009 0.000 0.276 169 H C -0.081 175.165 175.328 -0.138 0.000 1.016 169 H CA 1.289 57.113 56.048 -0.373 0.000 1.186 169 H CB -0.191 29.125 29.762 -0.742 0.000 1.351 169 H HN 0.303 nan 8.280 nan 0.000 0.605 170 T N 3.274 117.796 114.554 -0.052 0.000 3.401 170 T HA 0.104 4.459 4.350 0.009 0.000 0.341 170 T C -1.523 173.130 174.700 -0.079 0.000 1.674 170 T CA -1.178 60.899 62.100 -0.038 0.000 1.600 170 T CB 1.686 70.563 68.868 0.015 0.000 0.974 170 T HN 0.178 nan 8.240 nan 0.000 0.672 171 P HA -0.203 nan 4.420 nan 0.000 0.218 171 P C 0.751 178.008 177.300 -0.072 0.000 1.154 171 P CA 1.428 64.475 63.100 -0.089 0.000 0.872 171 P CB 0.282 31.937 31.700 -0.075 0.000 0.790 172 K N -0.253 120.107 120.400 -0.066 0.000 2.437 172 K HA 0.225 4.550 4.320 0.009 0.000 0.198 172 K C 1.438 178.024 176.600 -0.023 0.000 1.024 172 K CA -0.207 56.052 56.287 -0.048 0.000 1.148 172 K CB -0.019 32.448 32.500 -0.055 0.000 0.860 172 K HN 0.118 nan 8.250 nan 0.000 0.515 176 I N 0.892 121.467 120.570 0.008 0.000 2.233 176 I HA -0.168 4.007 4.170 0.009 0.000 0.243 176 I C 1.755 177.864 176.117 -0.012 0.000 1.093 176 I CA 1.128 62.415 61.300 -0.021 0.000 1.380 176 I CB -0.111 37.918 38.000 0.048 0.000 1.067 176 I HN 0.194 nan 8.210 nan 0.000 0.413 177 L N 0.397 121.639 121.223 0.033 0.000 2.131 177 L HA -0.211 4.134 4.340 0.009 0.000 0.210 177 L C 2.530 179.458 176.870 0.098 0.000 1.092 177 L CA 1.106 55.995 54.840 0.081 0.000 0.759 177 L CB -0.500 41.601 42.059 0.071 0.000 0.903 177 L HN 0.263 nan 8.230 nan 0.000 0.435 178 E N 0.582 120.808 120.200 0.043 0.000 2.072 178 E HA -0.172 4.183 4.350 0.009 0.000 0.190 178 E C 1.906 178.508 176.600 0.003 0.000 0.982 178 E CA 1.173 57.588 56.400 0.024 0.000 0.803 178 E CB -0.060 29.646 29.700 0.010 0.000 0.755 178 E HN 0.307 nan 8.360 nan 0.000 0.453 179 N N -0.121 118.571 118.700 -0.013 0.000 2.166 179 N HA -0.158 4.587 4.740 0.009 0.000 0.186 179 N C 1.582 177.061 175.510 -0.052 0.000 1.019 179 N CA 1.138 54.155 53.050 -0.054 0.000 0.856 179 N CB -0.476 37.943 38.487 -0.114 0.000 0.993 179 N HN 0.245 nan 8.380 nan 0.000 0.426 180 F N 1.862 121.704 119.950 -0.181 0.000 2.146 180 F HA 0.023 4.553 4.527 0.006 0.000 0.298 180 F C 2.080 177.839 175.800 -0.068 0.000 1.096 180 F CA 0.880 58.778 58.000 -0.170 0.000 1.275 180 F CB -0.410 38.504 39.000 -0.143 0.000 1.008 180 F HN -0.086 nan 8.300 nan 0.000 0.480 181 L N -0.129 120.985 121.223 -0.182 0.000 2.141 181 L HA -0.168 4.177 4.340 0.009 0.000 0.209 181 L C 2.241 178.996 176.870 -0.192 0.000 1.094 181 L CA 1.459 56.151 54.840 -0.247 0.000 0.763 181 L CB -0.764 41.248 42.059 -0.078 0.000 0.908 181 L HN 0.172 nan 8.230 nan 0.000 0.437 182 E N 0.020 120.148 120.200 -0.120 0.000 2.274 182 E HA -0.135 4.220 4.350 0.009 0.000 0.194 182 E C 2.233 178.779 176.600 -0.091 0.000 0.996 182 E CA 0.734 57.084 56.400 -0.083 0.000 0.840 182 E CB 0.122 29.792 29.700 -0.049 0.000 0.772 182 E HN 0.503 nan 8.360 nan 0.000 0.491 183 L N -0.267 120.880 121.223 -0.127 0.000 2.298 183 L HA 0.096 4.442 4.340 0.009 0.000 0.209 183 L C 2.199 178.997 176.870 -0.120 0.000 1.084 183 L CA 0.403 55.197 54.840 -0.078 0.000 0.816 183 L CB 0.005 42.058 42.059 -0.011 0.000 0.967 183 L HN 0.034 nan 8.230 nan 0.000 0.460 184 A N -0.023 122.627 122.820 -0.282 0.000 2.238 184 A HA 0.225 4.550 4.320 0.009 0.000 0.208 184 A C 1.705 179.182 177.584 -0.177 0.000 1.177 184 A CA 0.624 52.482 52.037 -0.299 0.000 0.804 184 A CB -0.791 17.840 19.000 -0.616 0.000 0.823 184 A HN 0.480 nan 8.150 nan 0.000 0.482 185 G N -0.549 108.172 108.800 -0.133 0.000 2.296 185 G HA2 -0.223 3.742 3.960 0.009 0.000 0.282 185 G HA3 -0.223 3.742 3.960 0.009 0.000 0.282 185 G C 0.212 175.068 174.900 -0.074 0.000 1.014 185 G CA 0.376 45.427 45.100 -0.081 0.000 0.812 185 G HN 0.779 nan 8.290 nan 0.000 0.508 186 V N 1.047 120.899 119.914 -0.104 0.000 2.485 186 V HA 0.186 4.311 4.120 0.009 0.000 0.287 186 V C 0.818 176.895 176.094 -0.029 0.000 1.022 186 V CA -0.154 62.104 62.300 -0.070 0.000 1.067 186 V CB 1.029 32.796 31.823 -0.092 0.000 0.967 186 V HN 0.253 nan 8.190 nan 0.000 0.479 187 K N 5.106 125.503 120.400 -0.004 0.000 2.249 187 K HA 0.339 4.664 4.320 0.009 0.000 0.280 187 K C 0.069 176.691 176.600 0.036 0.000 1.033 187 K CA -0.576 55.719 56.287 0.014 0.000 0.946 187 K CB 0.830 33.342 32.500 0.021 0.000 1.005 187 K HN 0.427 nan 8.250 nan 0.000 0.469 188 R N 2.893 123.418 120.500 0.042 0.000 2.419 188 R HA 0.130 4.475 4.340 0.009 0.000 0.305 188 R C -0.325 176.018 176.300 0.071 0.000 1.242 188 R CA -0.097 56.045 56.100 0.070 0.000 1.105 188 R CB -0.208 30.128 30.300 0.060 0.000 1.116 188 R HN 0.458 nan 8.270 nan 0.000 0.523 189 D N 0.421 120.871 120.400 0.084 0.000 2.501 189 D HA -0.022 4.623 4.640 0.009 0.000 0.224 189 D C -0.291 176.000 176.300 -0.014 0.000 1.202 189 D CA 0.001 54.018 54.000 0.028 0.000 0.829 189 D CB 0.449 41.258 40.800 0.016 0.000 1.023 189 D HN 0.508 nan 8.370 nan 0.000 0.499 190 W N 3.786 125.003 121.300 -0.139 0.000 2.120 190 W HA 0.168 4.836 4.660 0.012 0.000 0.371 190 W C -0.502 175.976 176.519 -0.067 0.000 0.865 190 W CA -0.275 56.993 57.345 -0.129 0.000 1.529 190 W CB 0.390 29.862 29.460 0.021 0.000 1.623 190 W HN -0.174 nan 8.180 nan 0.000 0.325 191 T N 1.010 115.350 114.554 -0.357 0.000 2.916 191 T HA 0.422 4.777 4.350 0.009 0.000 0.292 191 T C -1.650 172.822 174.700 -0.380 0.000 1.064 191 T CA -1.666 60.257 62.100 -0.295 0.000 1.011 191 T CB 2.268 71.067 68.868 -0.114 0.000 1.152 191 T HN 0.069 nan 8.240 nan 0.000 0.510 192 P HA -0.039 nan 4.420 nan 0.000 0.221 192 P C 0.727 177.941 177.300 -0.144 0.000 1.150 192 P CA 1.087 64.045 63.100 -0.238 0.000 0.800 192 P CB 0.232 31.828 31.700 -0.173 0.000 0.787 193 E N -0.508 119.637 120.200 -0.091 0.000 2.028 193 E HA -0.214 4.142 4.350 0.009 0.000 0.191 193 E C 2.332 178.910 176.600 -0.037 0.000 0.988 193 E CA 0.967 57.334 56.400 -0.055 0.000 0.799 193 E CB -1.614 28.064 29.700 -0.036 0.000 0.755 193 E HN 0.366 nan 8.360 nan 0.000 0.447 194 H N 1.274 120.266 119.070 -0.131 0.000 2.289 194 H HA -0.136 4.425 4.556 0.008 0.000 0.294 194 H C 1.962 177.207 175.328 -0.139 0.000 1.095 194 H CA 2.077 58.055 56.048 -0.117 0.000 1.256 194 H CB -0.318 29.378 29.762 -0.111 0.000 1.359 194 H HN 0.094 nan 8.280 nan 0.000 0.487 195 V N 1.349 121.294 119.914 0.052 0.000 2.407 195 V HA -0.219 3.907 4.120 0.009 0.000 0.248 195 V C 2.961 179.030 176.094 -0.042 0.000 1.055 195 V CA 1.425 63.706 62.300 -0.031 0.000 1.049 195 V CB -0.824 30.841 31.823 -0.263 0.000 0.662 195 V HN 0.251 nan 8.190 nan 0.000 0.455 196 L N 0.437 121.624 121.223 -0.060 0.000 1.994 196 L HA -0.145 4.200 4.340 0.009 0.000 0.208 196 L C 2.408 179.249 176.870 -0.049 0.000 1.071 196 L CA 1.944 56.760 54.840 -0.040 0.000 0.745 196 L CB -0.752 41.279 42.059 -0.046 0.000 0.892 196 L HN 0.365 nan 8.230 nan 0.000 0.431 197 E N -0.610 119.544 120.200 -0.077 0.000 2.023 197 E HA -0.322 4.033 4.350 0.009 0.000 0.196 197 E C 2.024 178.563 176.600 -0.102 0.000 1.003 197 E CA 1.460 57.803 56.400 -0.095 0.000 0.809 197 E CB -0.224 29.397 29.700 -0.131 0.000 0.755 197 E HN 0.511 nan 8.360 nan 0.000 0.449 198 E N 1.077 121.192 120.200 -0.141 0.000 2.086 198 E HA -0.236 4.120 4.350 0.009 0.000 0.205 198 E C 1.980 178.544 176.600 -0.061 0.000 1.027 198 E CA 1.502 57.831 56.400 -0.118 0.000 0.830 198 E CB -0.294 29.353 29.700 -0.087 0.000 0.751 198 E HN 0.202 nan 8.360 nan 0.000 0.456 199 L N -0.347 120.856 121.223 -0.034 0.000 2.072 199 L HA -0.124 4.222 4.340 0.009 0.000 0.205 199 L C 2.615 179.460 176.870 -0.043 0.000 1.079 199 L CA 0.762 55.588 54.840 -0.022 0.000 0.752 199 L CB -0.381 41.695 42.059 0.029 0.000 0.906 199 L HN 0.236 nan 8.230 nan 0.000 0.436 200 L N -0.424 120.775 121.223 -0.041 0.000 2.042 200 L HA -0.261 4.085 4.340 0.009 0.000 0.210 200 L C 2.848 179.686 176.870 -0.052 0.000 1.076 200 L CA 1.327 56.140 54.840 -0.045 0.000 0.749 200 L CB -0.454 41.581 42.059 -0.039 0.000 0.893 200 L HN 0.267 nan 8.230 nan 0.000 0.432 201 R N 0.416 120.883 120.500 -0.054 0.000 2.075 201 R HA -0.196 4.150 4.340 0.009 0.000 0.230 201 R C 2.197 178.464 176.300 -0.055 0.000 1.140 201 R CA 1.926 57.994 56.100 -0.053 0.000 0.928 201 R CB -0.208 30.058 30.300 -0.057 0.000 0.834 201 R HN 0.324 nan 8.270 nan 0.000 0.429 202 E N -0.162 120.003 120.200 -0.058 0.000 2.086 202 E HA -0.244 4.112 4.350 0.009 0.000 0.200 202 E C 1.967 178.513 176.600 -0.090 0.000 1.012 202 E CA 1.700 58.063 56.400 -0.063 0.000 0.812 202 E CB -0.310 29.356 29.700 -0.056 0.000 0.743 202 E HN 0.255 nan 8.360 nan 0.000 0.453 203 V N 0.849 120.700 119.914 -0.105 0.000 2.490 203 V HA -0.280 3.846 4.120 0.009 0.000 0.250 203 V C 2.141 178.149 176.094 -0.142 0.000 1.061 203 V CA 1.883 64.095 62.300 -0.148 0.000 1.064 203 V CB -0.204 31.533 31.823 -0.143 0.000 0.670 203 V HN 0.144 nan 8.190 nan 0.000 0.461 204 R N -0.341 120.104 120.500 -0.092 0.000 2.055 204 R HA -0.042 4.303 4.340 0.009 0.000 0.226 204 R C 2.318 178.584 176.300 -0.058 0.000 1.135 204 R CA 1.741 57.802 56.100 -0.066 0.000 0.959 204 R CB -0.324 29.951 30.300 -0.041 0.000 0.854 204 R HN 0.617 nan 8.270 nan 0.000 0.431 205 E N -0.033 120.137 120.200 -0.050 0.000 2.171 205 E HA -0.227 4.128 4.350 0.009 0.000 0.197 205 E C 1.974 178.556 176.600 -0.031 0.000 0.997 205 E CA 1.068 57.451 56.400 -0.029 0.000 0.810 205 E CB 0.009 29.694 29.700 -0.025 0.000 0.738 205 E HN 0.246 nan 8.360 nan 0.000 0.467 206 R N -0.302 120.146 120.500 -0.086 0.000 2.173 206 R HA 0.117 4.462 4.340 0.009 0.000 0.208 206 R C 2.129 178.275 176.300 -0.256 0.000 1.035 206 R CA 0.742 56.762 56.100 -0.133 0.000 1.004 206 R CB 0.122 30.296 30.300 -0.211 0.000 0.917 206 R HN 0.079 nan 8.270 nan 0.000 0.462 207 A N 0.609 123.271 122.820 -0.264 0.000 1.861 207 A HA 0.256 4.582 4.320 0.009 0.000 0.212 207 A C 1.488 179.111 177.584 0.064 0.000 1.199 207 A CA 1.293 53.197 52.037 -0.221 0.000 0.613 207 A CB -0.598 18.298 19.000 -0.173 0.000 0.846 207 A HN 0.394 nan 8.150 nan 0.000 0.446 208 G N -0.406 108.414 108.800 0.034 0.000 2.574 208 G HA2 -0.332 3.633 3.960 0.009 0.000 0.301 208 G HA3 -0.332 3.633 3.960 0.009 0.000 0.301 208 G C 0.740 175.687 174.900 0.078 0.000 1.166 208 G CA 0.718 45.857 45.100 0.065 0.000 0.971 208 G HN 0.442 nan 8.290 nan 0.000 0.542 209 K N 1.740 122.200 120.400 0.101 0.000 2.402 209 K HA 0.218 4.544 4.320 0.009 0.000 0.204 209 K C 0.213 176.890 176.600 0.128 0.000 1.056 209 K CA 0.087 56.429 56.287 0.092 0.000 1.069 209 K CB 0.400 32.938 32.500 0.063 0.000 0.888 209 K HN 0.577 nan 8.250 nan 0.000 0.546 210 D N 1.993 122.511 120.400 0.196 0.000 2.399 210 D HA 0.024 4.669 4.640 0.009 0.000 0.241 210 D C 0.339 176.829 176.300 0.316 0.000 1.133 210 D CA 0.342 54.496 54.000 0.257 0.000 0.890 210 D CB 1.023 42.071 40.800 0.413 0.000 1.201 210 D HN -0.158 nan 8.370 nan 0.000 0.432 211 R N 0.423 121.104 120.500 0.301 0.000 2.441 211 R HA 0.329 4.674 4.340 0.009 0.000 0.284 211 R C -0.296 176.328 176.300 0.542 0.000 1.070 211 R CA -0.604 55.734 56.100 0.396 0.000 1.047 211 R CB 1.159 31.691 30.300 0.386 0.000 1.016 211 R HN 0.281 nan 8.270 nan 0.000 0.477 212 V N 1.907 122.071 119.914 0.417 0.000 2.495 212 V HA 0.548 4.673 4.120 0.009 0.000 0.298 212 V C -0.830 175.252 176.094 -0.019 0.000 1.031 212 V CA -1.077 61.388 62.300 0.275 0.000 0.871 212 V CB 1.539 33.459 31.823 0.163 0.000 0.988 212 V HN 0.516 nan 8.190 nan 0.000 0.432 213 L N 6.667 127.732 121.223 -0.262 0.000 2.334 213 L HA 0.972 5.318 4.340 0.009 0.000 0.276 213 L C -0.832 175.915 176.870 -0.206 0.000 1.014 213 L CA -0.347 54.109 54.840 -0.640 0.000 0.815 213 L CB 1.612 42.955 42.059 -1.193 0.000 1.268 213 L HN 0.989 nan 8.230 nan 0.000 0.428 214 L N 2.781 123.982 121.223 -0.036 0.000 2.582 214 L HA 0.979 5.324 4.340 0.009 0.000 0.257 214 L C -1.079 175.925 176.870 0.223 0.000 0.974 214 L CA -0.871 54.038 54.840 0.115 0.000 0.851 214 L CB 1.175 43.253 42.059 0.031 0.000 1.424 214 L HN 0.684 nan 8.230 nan 0.000 0.412 215 A N 1.420 124.286 122.820 0.077 0.000 2.312 215 A HA 0.912 5.237 4.320 0.009 0.000 0.326 215 A C -0.251 177.376 177.584 0.072 0.000 1.172 215 A CA -0.127 51.923 52.037 0.022 0.000 0.821 215 A CB 1.337 20.151 19.000 -0.311 0.000 1.166 215 A HN 1.857 nan 8.150 nan 0.000 0.493 216 V N 0.588 120.603 119.914 0.169 0.000 2.604 216 V HA 0.754 4.879 4.120 0.009 0.000 0.305 216 V C 0.349 176.644 176.094 0.336 0.000 1.043 216 V CA 0.244 62.668 62.300 0.207 0.000 0.888 216 V CB 1.272 33.216 31.823 0.201 0.000 0.995 216 V HN 1.194 nan 8.190 nan 0.000 0.429 217 S N 1.270 117.120 115.700 0.249 0.000 2.559 217 S HA 0.568 5.043 4.470 0.009 0.000 0.226 217 S C 1.409 176.275 174.600 0.443 0.000 1.030 217 S CA 0.644 58.989 58.200 0.242 0.000 0.956 217 S CB 0.880 64.101 63.200 0.035 0.000 0.900 217 S HN 2.459 nan 8.310 nan 0.000 0.510 218 G N 0.783 109.760 108.800 0.294 0.000 2.284 218 G HA2 -0.020 3.945 3.960 0.009 0.000 0.201 218 G HA3 -0.020 3.945 3.960 0.009 0.000 0.201 218 G C 0.430 175.385 174.900 0.092 0.000 0.998 218 G CA -0.339 44.857 45.100 0.160 0.000 0.651 218 G HN 1.001 nan 8.290 nan 0.000 0.489 219 G N -0.082 108.783 108.800 0.108 0.000 2.442 219 G HA2 0.509 4.474 3.960 0.009 0.000 0.249 219 G HA3 0.509 4.474 3.960 0.009 0.000 0.249 219 G C 1.231 176.164 174.900 0.055 0.000 1.263 219 G CA 0.563 45.711 45.100 0.079 0.000 0.846 219 G HN 0.996 nan 8.290 nan 0.000 0.555 220 V N 1.449 121.387 119.914 0.040 0.000 2.982 220 V HA -0.137 3.988 4.120 0.009 0.000 0.265 220 V C 1.988 178.091 176.094 0.015 0.000 1.122 220 V CA 2.675 64.985 62.300 0.017 0.000 1.143 220 V CB -0.469 31.359 31.823 0.007 0.000 0.726 220 V HN 0.885 nan 8.190 nan 0.000 0.507 221 D N -0.124 120.300 120.400 0.039 0.000 2.113 221 D HA -0.135 4.510 4.640 0.009 0.000 0.206 221 D C 2.405 178.797 176.300 0.153 0.000 0.979 221 D CA 1.758 55.802 54.000 0.074 0.000 0.862 221 D CB -0.142 40.709 40.800 0.084 0.000 1.013 221 D HN 0.565 nan 8.370 nan 0.000 0.455 222 S N -0.633 115.136 115.700 0.114 0.000 2.383 222 S HA -0.163 4.312 4.470 0.009 0.000 0.229 222 S C 2.196 176.854 174.600 0.097 0.000 1.030 222 S CA 1.527 59.791 58.200 0.107 0.000 1.002 222 S CB -0.666 62.582 63.200 0.080 0.000 0.829 222 S HN 0.143 nan 8.310 nan 0.000 0.467 223 S N 1.501 117.245 115.700 0.073 0.000 2.368 223 S HA -0.064 4.412 4.470 0.009 0.000 0.225 223 S C 2.032 176.660 174.600 0.046 0.000 1.030 223 S CA 1.665 59.888 58.200 0.038 0.000 0.999 223 S CB -0.852 62.355 63.200 0.011 0.000 0.844 223 S HN 0.741 nan 8.310 nan 0.000 0.459 224 T N 2.131 116.730 114.554 0.076 0.000 2.951 224 T HA 0.080 4.435 4.350 0.009 0.000 0.268 224 T C 1.633 176.476 174.700 0.238 0.000 1.073 224 T CA 0.470 62.626 62.100 0.093 0.000 1.134 224 T CB -0.200 68.662 68.868 -0.011 0.000 0.884 224 T HN 0.114 nan 8.240 nan 0.000 0.479 225 L N 1.640 123.043 121.223 0.299 0.000 2.072 225 L HA 0.249 4.594 4.340 0.009 0.000 0.205 225 L C 2.592 179.462 176.870 -0.000 0.000 1.079 225 L CA 1.508 56.456 54.840 0.181 0.000 0.752 225 L CB -1.078 41.039 42.059 0.097 0.000 0.906 225 L HN 0.210 nan 8.230 nan 0.000 0.436 226 A N -1.213 121.598 122.820 -0.015 0.000 2.019 226 A HA -0.140 4.185 4.320 0.009 0.000 0.219 226 A C 2.105 179.593 177.584 -0.159 0.000 1.164 226 A CA 1.643 53.609 52.037 -0.119 0.000 0.644 226 A CB -0.602 18.364 19.000 -0.057 0.000 0.805 226 A HN 0.424 nan 8.150 nan 0.000 0.449 227 L N -1.437 119.750 121.223 -0.061 0.000 2.209 227 L HA 0.050 4.395 4.340 0.009 0.000 0.207 227 L C 2.214 179.055 176.870 -0.048 0.000 1.094 227 L CA 0.879 55.688 54.840 -0.052 0.000 0.790 227 L CB -0.484 41.566 42.059 -0.014 0.000 0.932 227 L HN 0.419 nan 8.230 nan 0.000 0.447 228 L N -1.034 120.179 121.223 -0.016 0.000 2.056 228 L HA -0.165 4.180 4.340 0.009 0.000 0.207 228 L C 2.231 179.055 176.870 -0.076 0.000 1.078 228 L CA 1.735 56.565 54.840 -0.015 0.000 0.749 228 L CB -0.410 41.666 42.059 0.027 0.000 0.901 228 L HN 0.140 nan 8.230 nan 0.000 0.433 229 L N -0.712 120.428 121.223 -0.138 0.000 1.961 229 L HA -0.213 4.132 4.340 0.009 0.000 0.210 229 L C 2.722 179.514 176.870 -0.129 0.000 1.072 229 L CA 1.430 56.175 54.840 -0.159 0.000 0.749 229 L CB -1.127 40.778 42.059 -0.256 0.000 0.889 229 L HN 0.357 nan 8.230 nan 0.000 0.432 230 A N 0.271 122.957 122.820 -0.224 0.000 1.903 230 A HA -0.326 3.999 4.320 0.009 0.000 0.219 230 A C 2.286 179.861 177.584 -0.015 0.000 1.191 230 A CA 2.487 54.480 52.037 -0.073 0.000 0.638 230 A CB -0.586 18.369 19.000 -0.076 0.000 0.823 230 A HN 0.303 nan 8.150 nan 0.000 0.451 231 K N 0.167 120.547 120.400 -0.035 0.000 2.063 231 K HA 0.003 4.329 4.320 0.009 0.000 0.208 231 K C 1.704 178.295 176.600 -0.014 0.000 1.048 231 K CA 1.779 58.054 56.287 -0.019 0.000 0.928 231 K CB -0.588 31.899 32.500 -0.021 0.000 0.713 231 K HN 0.363 nan 8.250 nan 0.000 0.442 232 A N -0.303 122.504 122.820 -0.023 0.000 2.238 232 A HA 0.308 4.633 4.320 0.009 0.000 0.208 232 A C 0.770 178.351 177.584 -0.005 0.000 1.177 232 A CA 0.528 52.552 52.037 -0.021 0.000 0.804 232 A CB -0.768 18.209 19.000 -0.038 0.000 0.823 232 A HN 0.504 nan 8.150 nan 0.000 0.482 233 G N -0.644 108.165 108.800 0.014 0.000 2.460 233 G HA2 0.005 3.970 3.960 0.009 0.000 0.259 233 G HA3 0.005 3.970 3.960 0.009 0.000 0.259 233 G C -0.482 174.447 174.900 0.048 0.000 0.959 233 G CA 0.209 45.332 45.100 0.039 0.000 1.330 233 G HN 0.987 nan 8.290 nan 0.000 0.451 234 V N 2.765 122.732 119.914 0.089 0.000 2.841 234 V HA 0.434 4.560 4.120 0.009 0.000 0.310 234 V C -0.040 176.163 176.094 0.181 0.000 1.090 234 V CA -1.145 61.214 62.300 0.099 0.000 0.930 234 V CB 2.116 33.968 31.823 0.048 0.000 1.014 234 V HN 0.658 nan 8.190 nan 0.000 0.425 235 D N 4.607 125.096 120.400 0.148 0.000 2.342 235 D HA 0.150 4.796 4.640 0.009 0.000 0.260 235 D C -0.378 176.042 176.300 0.200 0.000 1.278 235 D CA 0.322 54.407 54.000 0.141 0.000 0.910 235 D CB 0.148 41.030 40.800 0.136 0.000 1.079 235 D HN 0.805 nan 8.370 nan 0.000 0.496 236 H N 1.960 121.091 119.070 0.102 0.000 2.894 236 H HA 0.622 5.183 4.556 0.009 0.000 0.368 236 H C -1.691 173.677 175.328 0.067 0.000 1.181 236 H CA -1.224 54.865 56.048 0.068 0.000 1.146 236 H CB 1.629 31.403 29.762 0.020 0.000 1.839 236 H HN 0.229 nan 8.280 nan 0.000 0.557 237 L N 1.942 123.165 121.223 0.000 0.000 2.573 237 L HA 0.545 4.891 4.340 0.009 0.000 0.260 237 L C -0.950 175.949 176.870 0.048 0.000 0.997 237 L CA -0.180 54.644 54.840 -0.026 0.000 0.890 237 L CB 0.934 42.995 42.059 0.004 0.000 1.179 237 L HN 0.913 nan 8.230 nan 0.000 0.439 238 A N 4.243 127.180 122.820 0.193 0.000 2.409 238 A HA 0.633 4.959 4.320 0.009 0.000 0.267 238 A C -0.488 177.209 177.584 0.189 0.000 1.127 238 A CA -0.251 51.898 52.037 0.187 0.000 0.795 238 A CB 0.365 19.479 19.000 0.190 0.000 1.061 238 A HN 0.497 nan 8.150 nan 0.000 0.502 239 V N 3.542 123.610 119.914 0.257 0.000 2.347 239 V HA 0.286 4.411 4.120 0.009 0.000 0.280 239 V C -0.682 175.621 176.094 0.348 0.000 1.021 239 V CA -0.220 62.262 62.300 0.303 0.000 0.847 239 V CB 0.827 32.879 31.823 0.381 0.000 0.990 239 V HN 0.751 nan 8.190 nan 0.000 0.444 240 F N 6.011 126.037 119.950 0.128 0.000 2.303 240 F HA 0.525 5.057 4.527 0.009 0.000 0.368 240 F C 0.117 175.969 175.800 0.086 0.000 1.105 240 F CA -0.654 57.396 58.000 0.084 0.000 1.153 240 F CB 0.957 39.982 39.000 0.041 0.000 1.362 240 F HN 0.293 nan 8.300 nan 0.000 0.511 241 V N 4.993 124.830 119.914 -0.130 0.000 2.439 241 V HA 0.060 4.186 4.120 0.009 0.000 0.271 241 V C -0.012 175.795 176.094 -0.477 0.000 1.040 241 V CA -0.360 61.881 62.300 -0.098 0.000 1.002 241 V CB 0.829 32.771 31.823 0.199 0.000 1.000 241 V HN 0.496 nan 8.190 nan 0.000 0.477 242 D N 3.927 124.131 120.400 -0.326 0.000 2.479 242 D HA 0.135 4.780 4.640 0.009 0.000 0.218 242 D C 1.374 177.509 176.300 -0.276 0.000 1.131 242 D CA -0.359 53.396 54.000 -0.409 0.000 0.916 242 D CB 0.363 41.082 40.800 -0.135 0.000 1.022 242 D HN 0.790 nan 8.370 nan 0.000 0.515 243 H N 2.042 120.875 119.070 -0.394 0.000 2.562 243 H HA 0.161 4.722 4.556 0.009 0.000 0.272 243 H C 1.239 176.390 175.328 -0.295 0.000 1.019 243 H CA 0.259 55.878 56.048 -0.714 0.000 1.160 243 H CB 0.131 28.980 29.762 -1.522 0.000 1.334 243 H HN 0.492 nan 8.280 nan 0.000 0.611 244 G N 1.495 110.344 108.800 0.082 0.000 2.175 244 G HA2 -0.306 3.659 3.960 0.009 0.000 0.265 244 G HA3 -0.306 3.659 3.960 0.009 0.000 0.265 244 G C 0.578 175.564 174.900 0.144 0.000 0.979 244 G CA 0.549 45.716 45.100 0.111 0.000 0.663 244 G HN 0.515 nan 8.290 nan 0.000 0.533 245 L N -0.029 121.369 121.223 0.291 0.000 3.017 245 L HA 0.427 4.772 4.340 0.009 0.000 0.255 245 L C 0.454 177.483 176.870 0.265 0.000 1.247 245 L CA -0.625 54.262 54.840 0.080 0.000 1.038 245 L CB -0.051 41.799 42.059 -0.347 0.000 1.380 245 L HN 0.186 nan 8.230 nan 0.000 0.548 246 L N -2.034 119.381 121.223 0.319 0.000 2.365 246 L HA 0.598 4.944 4.340 0.009 0.000 0.267 246 L C 0.476 177.407 176.870 0.101 0.000 1.033 246 L CA -1.175 53.857 54.840 0.320 0.000 0.802 246 L CB 0.116 42.288 42.059 0.188 0.000 1.267 246 L HN -0.058 nan 8.230 nan 0.000 0.457 247 R N 0.125 120.531 120.500 -0.157 0.000 2.734 247 R HA 0.277 4.622 4.340 0.009 0.000 0.266 247 R C -0.479 175.778 176.300 -0.071 0.000 1.044 247 R CA -0.539 55.463 56.100 -0.164 0.000 1.128 247 R CB -0.017 30.066 30.300 -0.360 0.000 1.010 247 R HN 0.448 nan 8.270 nan 0.000 0.461 248 L N 2.452 123.651 121.223 -0.040 0.000 2.615 248 L HA 0.081 4.426 4.340 0.009 0.000 0.271 248 L C 1.229 178.079 176.870 -0.033 0.000 1.183 248 L CA 1.958 56.786 54.840 -0.021 0.000 0.933 248 L CB 0.082 42.134 42.059 -0.013 0.000 1.199 248 L HN 0.893 nan 8.230 nan 0.000 0.487 249 G N 2.573 111.362 108.800 -0.018 0.000 2.176 249 G HA2 -0.344 3.621 3.960 0.009 0.000 0.253 249 G HA3 -0.344 3.621 3.960 0.009 0.000 0.253 249 G C 1.019 175.900 174.900 -0.031 0.000 0.979 249 G CA 0.591 45.677 45.100 -0.024 0.000 0.641 249 G HN 0.640 nan 8.290 nan 0.000 0.530 250 E N 0.114 120.295 120.200 -0.031 0.000 2.038 250 E HA -0.173 4.182 4.350 0.009 0.000 0.195 250 E C 2.398 179.007 176.600 0.015 0.000 1.000 250 E CA 1.477 57.861 56.400 -0.026 0.000 0.803 250 E CB -0.144 29.537 29.700 -0.033 0.000 0.750 250 E HN 0.594 nan 8.360 nan 0.000 0.448 251 R N 0.576 121.135 120.500 0.098 0.000 2.097 251 R HA -0.232 4.113 4.340 0.009 0.000 0.236 251 R C 2.156 178.431 176.300 -0.041 0.000 1.135 251 R CA 2.235 58.423 56.100 0.146 0.000 0.934 251 R CB -0.180 30.257 30.300 0.229 0.000 0.846 251 R HN 0.215 nan 8.270 nan 0.000 0.431 252 E N -0.049 120.140 120.200 -0.019 0.000 2.085 252 E HA -0.214 4.141 4.350 0.009 0.000 0.194 252 E C 2.046 178.598 176.600 -0.081 0.000 0.994 252 E CA 1.719 58.093 56.400 -0.045 0.000 0.801 252 E CB -0.021 29.665 29.700 -0.024 0.000 0.743 252 E HN 0.503 nan 8.360 nan 0.000 0.453 253 E N 0.209 120.360 120.200 -0.082 0.000 2.038 253 E HA -0.193 4.162 4.350 0.009 0.000 0.195 253 E C 2.241 178.763 176.600 -0.130 0.000 1.000 253 E CA 1.467 57.810 56.400 -0.094 0.000 0.803 253 E CB -0.019 29.628 29.700 -0.089 0.000 0.750 253 E HN 0.090 nan 8.360 nan 0.000 0.448 254 V N 2.100 121.900 119.914 -0.191 0.000 2.270 254 V HA -0.282 3.843 4.120 0.009 0.000 0.245 254 V C 2.471 178.387 176.094 -0.296 0.000 1.043 254 V CA 2.289 64.423 62.300 -0.276 0.000 1.014 254 V CB -0.833 30.713 31.823 -0.463 0.000 0.645 254 V HN 0.406 nan 8.190 nan 0.000 0.447 255 E N 1.256 121.251 120.200 -0.342 0.000 2.077 255 E HA -0.169 4.186 4.350 0.009 0.000 0.193 255 E C 2.281 178.801 176.600 -0.132 0.000 0.989 255 E CA 1.679 57.933 56.400 -0.242 0.000 0.800 255 E CB -0.864 28.724 29.700 -0.188 0.000 0.746 255 E HN 0.476 nan 8.360 nan 0.000 0.452 256 G N 1.056 109.790 108.800 -0.110 0.000 2.440 256 G HA2 -0.233 3.732 3.960 0.009 0.000 0.218 256 G HA3 -0.233 3.732 3.960 0.009 0.000 0.218 256 G C 1.745 176.605 174.900 -0.067 0.000 1.154 256 G CA 1.146 46.203 45.100 -0.073 0.000 0.767 256 G HN 0.467 nan 8.290 nan 0.000 0.552 257 A N 0.274 123.045 122.820 -0.082 0.000 1.898 257 A HA 0.274 4.600 4.320 0.009 0.000 0.214 257 A C 2.422 179.969 177.584 -0.061 0.000 1.183 257 A CA 0.853 52.849 52.037 -0.068 0.000 0.622 257 A CB -0.319 18.637 19.000 -0.073 0.000 0.824 257 A HN 0.315 nan 8.150 nan 0.000 0.444 258 L N -0.933 120.243 121.223 -0.079 0.000 2.017 258 L HA -0.192 4.153 4.340 0.009 0.000 0.208 258 L C 2.896 179.750 176.870 -0.028 0.000 1.073 258 L CA 1.529 56.334 54.840 -0.058 0.000 0.745 258 L CB -0.502 41.509 42.059 -0.079 0.000 0.894 258 L HN 0.357 nan 8.230 nan 0.000 0.432 259 R N -0.121 120.360 120.500 -0.031 0.000 2.073 259 R HA -0.135 4.210 4.340 0.009 0.000 0.234 259 R C 2.426 178.723 176.300 -0.004 0.000 1.134 259 R CA 1.379 57.475 56.100 -0.006 0.000 0.952 259 R CB -0.512 29.781 30.300 -0.012 0.000 0.850 259 R HN 0.346 nan 8.270 nan 0.000 0.433 260 A N 0.869 123.678 122.820 -0.017 0.000 1.978 260 A HA -0.114 4.211 4.320 0.009 0.000 0.220 260 A C 1.742 179.319 177.584 -0.011 0.000 1.170 260 A CA 1.079 53.107 52.037 -0.015 0.000 0.636 260 A CB -0.233 18.754 19.000 -0.023 0.000 0.810 260 A HN 0.120 nan 8.150 nan 0.000 0.448 261 L N -0.907 120.309 121.223 -0.013 0.000 2.627 261 L HA 0.153 4.498 4.340 0.009 0.000 0.233 261 L C 1.501 178.373 176.870 0.003 0.000 1.144 261 L CA 1.361 56.195 54.840 -0.010 0.000 0.892 261 L CB -1.339 40.708 42.059 -0.019 0.000 1.039 261 L HN 0.681 nan 8.230 nan 0.000 0.442 262 G N 0.131 108.940 108.800 0.016 0.000 2.165 262 G HA2 -0.209 3.757 3.960 0.009 0.000 0.226 262 G HA3 -0.209 3.757 3.960 0.009 0.000 0.226 262 G C 0.022 174.973 174.900 0.085 0.000 1.035 262 G CA 0.129 45.253 45.100 0.040 0.000 0.744 262 G HN 0.127 nan 8.290 nan 0.000 0.501 263 V N 0.334 120.300 119.914 0.087 0.000 2.472 263 V HA 0.533 4.658 4.120 0.009 0.000 0.290 263 V C 0.469 176.698 176.094 0.225 0.000 1.037 263 V CA -0.687 61.724 62.300 0.186 0.000 0.908 263 V CB 1.831 33.703 31.823 0.082 0.000 0.985 263 V HN 0.443 nan 8.190 nan 0.000 0.454 264 N N 4.854 123.781 118.700 0.379 0.000 2.469 264 N HA 0.489 5.235 4.740 0.009 0.000 0.239 264 N C -0.939 174.629 175.510 0.097 0.000 1.053 264 N CA -0.455 52.627 53.050 0.054 0.000 0.937 264 N CB 0.383 38.715 38.487 -0.258 0.000 1.163 264 N HN 0.595 nan 8.380 nan 0.000 0.509 265 L N 1.169 122.446 121.223 0.090 0.000 2.341 265 L HA 0.797 5.142 4.340 0.009 0.000 0.267 265 L C -1.257 175.665 176.870 0.088 0.000 1.009 265 L CA -1.280 53.621 54.840 0.102 0.000 0.819 265 L CB 1.172 43.283 42.059 0.086 0.000 1.323 265 L HN 0.271 nan 8.230 nan 0.000 0.425 266 L N 2.315 123.610 121.223 0.120 0.000 2.341 266 L HA 0.783 5.128 4.340 0.009 0.000 0.278 266 L C -1.079 175.894 176.870 0.171 0.000 1.005 266 L CA -0.386 54.526 54.840 0.120 0.000 0.818 266 L CB 2.035 44.158 42.059 0.108 0.000 1.259 266 L HN 0.513 nan 8.230 nan 0.000 0.418 267 V N 6.040 126.048 119.914 0.157 0.000 2.328 267 V HA 0.424 4.550 4.120 0.009 0.000 0.278 267 V C -0.239 175.946 176.094 0.152 0.000 1.021 267 V CA -0.664 61.761 62.300 0.208 0.000 0.838 267 V CB 1.470 33.412 31.823 0.198 0.000 0.999 267 V HN 0.541 nan 8.190 nan 0.000 0.447 268 V N 3.910 123.910 119.914 0.143 0.000 2.407 268 V HA 0.292 4.417 4.120 0.009 0.000 0.278 268 V C 0.336 176.489 176.094 0.099 0.000 1.037 268 V CA -0.437 61.930 62.300 0.112 0.000 0.900 268 V CB 1.748 33.642 31.823 0.118 0.000 0.983 268 V HN 0.859 nan 8.190 nan 0.000 0.459 269 D N 4.759 125.217 120.400 0.096 0.000 2.494 269 D HA 0.321 4.967 4.640 0.009 0.000 0.217 269 D C 0.432 176.805 176.300 0.121 0.000 1.153 269 D CA -0.221 53.835 54.000 0.093 0.000 0.954 269 D CB 1.214 42.062 40.800 0.080 0.000 1.034 269 D HN 0.643 nan 8.370 nan 0.000 0.518 270 A N 4.005 126.927 122.820 0.171 0.000 2.842 270 A HA 0.164 4.489 4.320 0.009 0.000 0.298 270 A C 1.560 179.364 177.584 0.366 0.000 1.293 270 A CA -0.415 51.792 52.037 0.283 0.000 0.959 270 A CB 0.105 19.373 19.000 0.447 0.000 1.119 270 A HN 0.383 nan 8.150 nan 0.000 0.564 271 K N 0.150 120.676 120.400 0.211 0.000 1.973 271 K HA -0.142 4.183 4.320 0.009 0.000 0.210 271 K C 1.861 178.574 176.600 0.188 0.000 1.045 271 K CA 1.523 57.921 56.287 0.185 0.000 0.937 271 K CB -0.105 32.463 32.500 0.113 0.000 0.721 271 K HN 0.638 nan 8.250 nan 0.000 0.438 272 E N 1.531 121.811 120.200 0.134 0.000 2.097 272 E HA -0.299 4.056 4.350 0.009 0.000 0.196 272 E C 2.229 178.894 176.600 0.109 0.000 1.000 272 E CA 1.333 57.795 56.400 0.103 0.000 0.804 272 E CB 0.028 29.773 29.700 0.074 0.000 0.740 272 E HN 0.188 nan 8.360 nan 0.000 0.454 273 R N -0.409 120.162 120.500 0.118 0.000 2.096 273 R HA -0.195 4.150 4.340 0.009 0.000 0.229 273 R C 2.275 178.611 176.300 0.060 0.000 1.134 273 R CA 2.139 58.274 56.100 0.057 0.000 0.917 273 R CB -0.686 29.625 30.300 0.018 0.000 0.832 273 R HN 0.194 nan 8.270 nan 0.000 0.430 274 F N 0.940 120.927 119.950 0.062 0.000 2.120 274 F HA -0.263 4.269 4.527 0.009 0.000 0.300 274 F C 2.306 178.131 175.800 0.040 0.000 1.095 274 F CA 1.543 59.580 58.000 0.061 0.000 1.249 274 F CB -0.589 38.467 39.000 0.092 0.000 0.995 274 F HN 0.195 nan 8.300 nan 0.000 0.480 275 L N 0.592 121.953 121.223 0.231 0.000 1.989 275 L HA -0.228 4.118 4.340 0.009 0.000 0.211 275 L C 2.291 179.215 176.870 0.090 0.000 1.071 275 L CA 1.981 56.902 54.840 0.135 0.000 0.749 275 L CB -0.947 41.176 42.059 0.106 0.000 0.890 275 L HN 0.053 nan 8.230 nan 0.000 0.431 276 K N -0.844 119.599 120.400 0.072 0.000 2.103 276 K HA -0.159 4.166 4.320 0.009 0.000 0.207 276 K C 1.924 178.542 176.600 0.030 0.000 1.048 276 K CA 1.332 57.644 56.287 0.042 0.000 0.930 276 K CB -0.284 32.234 32.500 0.030 0.000 0.716 276 K HN 0.512 nan 8.250 nan 0.000 0.444 277 A N 0.305 123.139 122.820 0.023 0.000 2.121 277 A HA -0.050 4.275 4.320 0.009 0.000 0.218 277 A C 1.768 179.369 177.584 0.028 0.000 1.154 277 A CA 1.013 53.051 52.037 0.001 0.000 0.679 277 A CB -0.185 18.781 19.000 -0.057 0.000 0.795 277 A HN 0.292 nan 8.150 nan 0.000 0.458 278 L N -1.134 120.122 121.223 0.054 0.000 2.590 278 L HA 0.120 4.466 4.340 0.009 0.000 0.227 278 L C 1.076 177.970 176.870 0.041 0.000 1.099 278 L CA -0.180 54.692 54.840 0.053 0.000 0.872 278 L CB 0.008 42.109 42.059 0.070 0.000 1.088 278 L HN 0.247 nan 8.230 nan 0.000 0.479 279 K N 1.502 121.925 120.400 0.039 0.000 2.477 279 K HA -0.053 4.272 4.320 0.009 0.000 0.275 279 K C 1.079 177.695 176.600 0.027 0.000 1.054 279 K CA 1.064 57.371 56.287 0.033 0.000 1.135 279 K CB -0.006 32.511 32.500 0.030 0.000 0.854 279 K HN 0.300 nan 8.250 nan 0.000 0.484 280 G N 2.362 111.178 108.800 0.027 0.000 2.179 280 G HA2 -0.245 3.720 3.960 0.009 0.000 0.260 280 G HA3 -0.245 3.720 3.960 0.009 0.000 0.260 280 G C -0.066 174.848 174.900 0.023 0.000 0.977 280 G CA 0.143 45.257 45.100 0.023 0.000 0.641 280 G HN 0.532 nan 8.290 nan 0.000 0.533 281 V N 0.769 120.698 119.914 0.025 0.000 2.372 281 V HA 0.444 4.569 4.120 0.009 0.000 0.261 281 V C 1.209 177.318 176.094 0.024 0.000 1.055 281 V CA 0.382 62.696 62.300 0.024 0.000 0.930 281 V CB 1.299 33.137 31.823 0.025 0.000 1.031 281 V HN 0.330 nan 8.190 nan 0.000 0.479 282 E N 2.061 122.275 120.200 0.023 0.000 2.166 282 E HA 0.019 4.375 4.350 0.009 0.000 0.192 282 E C 0.732 177.346 176.600 0.024 0.000 0.967 282 E CA 0.202 56.617 56.400 0.025 0.000 0.840 282 E CB 0.079 29.792 29.700 0.023 0.000 0.795 282 E HN 0.854 nan 8.360 nan 0.000 0.470 283 D N 1.084 121.496 120.400 0.019 0.000 2.417 283 D HA -0.033 4.612 4.640 0.009 0.000 0.250 283 D C -1.455 174.855 176.300 0.017 0.000 1.166 283 D CA -1.298 52.712 54.000 0.017 0.000 0.881 283 D CB 1.132 41.940 40.800 0.014 0.000 1.164 283 D HN -0.108 nan 8.370 nan 0.000 0.467 284 P HA -0.210 nan 4.420 nan 0.000 0.213 284 P C 0.813 178.117 177.300 0.008 0.000 1.170 284 P CA 1.364 64.472 63.100 0.014 0.000 0.898 284 P CB 0.171 31.883 31.700 0.019 0.000 0.787 285 E N -0.318 119.887 120.200 0.008 0.000 2.160 285 E HA -0.229 4.127 4.350 0.009 0.000 0.195 285 E C 2.162 178.769 176.600 0.011 0.000 0.991 285 E CA 1.083 57.488 56.400 0.007 0.000 0.810 285 E CB -0.254 29.451 29.700 0.008 0.000 0.742 285 E HN 0.289 nan 8.360 nan 0.000 0.466 286 E N 1.514 121.721 120.200 0.013 0.000 2.038 286 E HA -0.199 4.156 4.350 0.009 0.000 0.195 286 E C 1.722 178.335 176.600 0.020 0.000 1.000 286 E CA 1.567 57.977 56.400 0.017 0.000 0.803 286 E CB 0.066 29.776 29.700 0.016 0.000 0.750 286 E HN 0.086 nan 8.360 nan 0.000 0.448 287 K N -0.082 120.329 120.400 0.018 0.000 2.074 287 K HA -0.188 4.138 4.320 0.009 0.000 0.209 287 K C 2.229 178.841 176.600 0.020 0.000 1.048 287 K CA 1.397 57.695 56.287 0.019 0.000 0.926 287 K CB -0.181 32.322 32.500 0.005 0.000 0.713 287 K HN 0.031 nan 8.250 nan 0.000 0.444 288 R N 1.459 121.964 120.500 0.008 0.000 2.080 288 R HA -0.116 4.230 4.340 0.009 0.000 0.236 288 R C 2.108 178.427 176.300 0.031 0.000 1.137 288 R CA 1.550 57.654 56.100 0.006 0.000 0.943 288 R CB -0.551 29.748 30.300 -0.002 0.000 0.846 288 R HN 0.314 nan 8.270 nan 0.000 0.431 289 K N 0.358 120.778 120.400 0.033 0.000 2.025 289 K HA 0.013 4.338 4.320 0.009 0.000 0.207 289 K C 2.262 178.895 176.600 0.054 0.000 1.049 289 K CA 1.057 57.370 56.287 0.043 0.000 0.933 289 K CB -0.244 32.276 32.500 0.032 0.000 0.714 289 K HN 0.114 nan 8.250 nan 0.000 0.438 290 I N 1.188 121.786 120.570 0.047 0.000 2.399 290 I HA -0.292 3.883 4.170 0.009 0.000 0.254 290 I C 2.117 178.284 176.117 0.084 0.000 1.146 290 I CA 1.343 62.671 61.300 0.046 0.000 1.412 290 I CB -0.223 37.802 38.000 0.043 0.000 1.076 290 I HN 0.219 nan 8.210 nan 0.000 0.432 291 I N -0.310 120.338 120.570 0.131 0.000 3.081 291 I HA -0.004 4.171 4.170 0.009 0.000 0.274 291 I C 2.532 178.812 176.117 0.272 0.000 1.178 291 I CA 0.788 62.244 61.300 0.261 0.000 1.460 291 I CB -0.444 37.656 38.000 0.168 0.000 1.137 291 I HN 0.163 nan 8.210 nan 0.000 0.443 292 G N 0.931 109.827 108.800 0.161 0.000 2.443 292 G HA2 -0.204 3.762 3.960 0.009 0.000 0.219 292 G HA3 -0.204 3.762 3.960 0.009 0.000 0.219 292 G C 1.792 176.813 174.900 0.202 0.000 1.131 292 G CA 0.200 45.402 45.100 0.171 0.000 0.775 292 G HN 0.187 nan 8.290 nan 0.000 0.547 293 R N 0.279 120.861 120.500 0.137 0.000 2.051 293 R HA -0.010 4.335 4.340 0.009 0.000 0.225 293 R C 2.321 178.659 176.300 0.062 0.000 1.155 293 R CA 1.006 57.158 56.100 0.086 0.000 0.945 293 R CB -0.354 29.969 30.300 0.037 0.000 0.840 293 R HN 0.144 nan 8.270 nan 0.000 0.432 294 E N 0.374 120.565 120.200 -0.014 0.000 2.219 294 E HA -0.225 4.130 4.350 0.009 0.000 0.198 294 E C 1.651 178.220 176.600 -0.052 0.000 0.998 294 E CA 1.095 57.358 56.400 -0.228 0.000 0.818 294 E CB -0.362 28.904 29.700 -0.724 0.000 0.741 294 E HN 0.323 nan 8.360 nan 0.000 0.477 295 F N 1.258 121.313 119.950 0.176 0.000 2.098 295 F HA -0.168 4.364 4.527 0.009 0.000 0.294 295 F C 2.243 178.163 175.800 0.199 0.000 1.107 295 F CA 0.969 59.166 58.000 0.327 0.000 1.234 295 F CB -0.494 38.667 39.000 0.268 0.000 1.002 295 F HN -0.215 nan 8.300 nan 0.000 0.472 296 V N 1.156 121.048 119.914 -0.037 0.000 2.380 296 V HA -0.348 3.777 4.120 0.009 0.000 0.251 296 V C 2.796 178.848 176.094 -0.072 0.000 1.063 296 V CA 1.876 64.118 62.300 -0.095 0.000 1.055 296 V CB -1.869 30.010 31.823 0.094 0.000 0.657 296 V HN 0.535 nan 8.190 nan 0.000 0.455 297 A N -0.078 122.716 122.820 -0.044 0.000 1.902 297 A HA -0.066 4.259 4.320 0.009 0.000 0.217 297 A C 2.407 179.963 177.584 -0.045 0.000 1.181 297 A CA 2.023 54.038 52.037 -0.037 0.000 0.623 297 A CB -0.693 18.276 19.000 -0.051 0.000 0.818 297 A HN 0.583 nan 8.150 nan 0.000 0.443 298 A N -1.637 121.148 122.820 -0.059 0.000 1.968 298 A HA 0.097 4.422 4.320 0.009 0.000 0.217 298 A C 1.985 179.563 177.584 -0.009 0.000 1.169 298 A CA 1.414 53.445 52.037 -0.009 0.000 0.638 298 A CB -0.569 18.480 19.000 0.082 0.000 0.812 298 A HN 0.544 nan 8.150 nan 0.000 0.446 299 F N 1.181 120.935 119.950 -0.328 0.000 2.074 299 F HA -0.079 4.453 4.527 0.009 0.000 0.293 299 F C 2.633 178.354 175.800 -0.130 0.000 1.116 299 F CA 1.508 59.319 58.000 -0.315 0.000 1.212 299 F CB -0.696 37.931 39.000 -0.622 0.000 0.998 299 F HN 0.202 nan 8.300 nan 0.000 0.471 300 S N 0.212 115.882 115.700 -0.050 0.000 2.389 300 S HA -0.411 4.064 4.470 0.009 0.000 0.229 300 S C 2.024 176.597 174.600 -0.045 0.000 1.048 300 S CA 1.895 60.079 58.200 -0.027 0.000 1.117 300 S CB -0.911 62.314 63.200 0.042 0.000 1.020 300 S HN 0.596 nan 8.310 nan 0.000 0.430 301 Q N 0.401 120.183 119.800 -0.030 0.000 2.197 301 Q HA -0.188 4.158 4.340 0.009 0.000 0.211 301 Q C 1.975 177.963 176.000 -0.020 0.000 0.993 301 Q CA 1.857 57.649 55.803 -0.017 0.000 0.883 301 Q CB -0.209 28.523 28.738 -0.010 0.000 0.916 301 Q HN 0.431 nan 8.270 nan 0.000 0.418 302 V N 0.429 120.307 119.914 -0.060 0.000 2.591 302 V HA -0.146 3.980 4.120 0.009 0.000 0.249 302 V C 2.226 178.323 176.094 0.005 0.000 1.053 302 V CA 1.384 63.659 62.300 -0.042 0.000 1.068 302 V CB -0.696 31.082 31.823 -0.076 0.000 0.689 302 V HN 0.508 nan 8.190 nan 0.000 0.462 303 A N -0.189 122.583 122.820 -0.079 0.000 2.125 303 A HA -0.168 4.158 4.320 0.009 0.000 0.219 303 A C 2.324 180.045 177.584 0.229 0.000 1.156 303 A CA 1.552 53.690 52.037 0.167 0.000 0.671 303 A CB -0.287 18.806 19.000 0.155 0.000 0.794 303 A HN 0.542 nan 8.150 nan 0.000 0.459 304 R N -0.660 119.890 120.500 0.084 0.000 2.039 304 R HA 0.072 4.417 4.340 0.009 0.000 0.218 304 R C 1.802 178.098 176.300 -0.006 0.000 1.220 304 R CA 0.938 57.052 56.100 0.023 0.000 0.993 304 R CB -0.362 29.941 30.300 0.005 0.000 0.881 304 R HN 0.529 nan 8.270 nan 0.000 0.450 305 E N 0.929 121.131 120.200 0.003 0.000 2.448 305 E HA -0.147 4.208 4.350 0.009 0.000 0.203 305 E C 0.222 176.819 176.600 -0.005 0.000 1.046 305 E CA 0.678 57.076 56.400 -0.004 0.000 0.871 305 E CB 0.125 29.829 29.700 0.006 0.000 0.790 305 E HN 0.067 nan 8.360 nan 0.000 0.545 306 R N 0.665 121.170 120.500 0.009 0.000 3.130 306 R HA 0.250 4.595 4.340 0.009 0.000 0.348 306 R C 0.281 176.449 176.300 -0.221 0.000 1.241 306 R CA 0.232 56.332 56.100 0.000 0.000 1.141 306 R CB 0.248 30.662 30.300 0.190 0.000 1.453 306 R HN 0.144 nan 8.270 nan 0.000 0.590 307 G N 2.370 111.036 108.800 -0.222 0.000 2.916 307 G HA2 -0.253 3.712 3.960 0.009 0.000 0.533 307 G HA3 -0.253 3.712 3.960 0.009 0.000 0.533 307 G C -2.708 171.871 174.900 -0.535 0.000 1.516 307 G CA -1.012 43.893 45.100 -0.325 0.000 0.944 307 G HN 0.123 nan 8.290 nan 0.000 0.555 308 P HA 0.486 nan 4.420 nan 0.000 0.271 308 P C -0.453 176.578 177.300 -0.449 0.000 1.216 308 P CA 0.034 62.932 63.100 -0.336 0.000 0.771 308 P CB 0.320 31.904 31.700 -0.193 0.000 0.864 309 F N 2.187 122.208 119.950 0.119 0.000 2.449 309 F HA 0.391 4.923 4.527 0.009 0.000 0.342 309 F C 1.451 177.367 175.800 0.193 0.000 1.127 309 F CA -0.575 57.551 58.000 0.210 0.000 0.975 309 F CB 1.794 40.991 39.000 0.328 0.000 1.146 309 F HN 0.167 nan 8.300 nan 0.000 0.444 310 R N 1.965 122.600 120.500 0.225 0.000 2.236 310 R HA 0.200 4.545 4.340 0.009 0.000 0.208 310 R C -0.972 175.138 176.300 -0.317 0.000 1.036 310 R CA 1.192 57.212 56.100 -0.132 0.000 1.001 310 R CB -0.122 29.995 30.300 -0.306 0.000 0.896 310 R HN 0.375 nan 8.270 nan 0.000 0.464 311 F N -0.572 119.563 119.950 0.308 0.000 2.578 311 F HA 0.384 4.916 4.527 0.008 0.000 0.311 311 F C -1.086 174.781 175.800 0.111 0.000 1.094 311 F CA -1.436 56.689 58.000 0.208 0.000 0.923 311 F CB 1.839 40.911 39.000 0.121 0.000 1.230 311 F HN -0.252 nan 8.300 nan 0.000 0.450 312 L N 3.141 124.523 121.223 0.265 0.000 2.319 312 L HA 0.847 5.193 4.340 0.009 0.000 0.281 312 L C -0.511 176.395 176.870 0.061 0.000 1.005 312 L CA -0.746 54.101 54.840 0.011 0.000 0.828 312 L CB 0.839 42.837 42.059 -0.102 0.000 1.227 312 L HN 0.671 nan 8.230 nan 0.000 0.415 313 A N 5.333 128.158 122.820 0.010 0.000 2.409 313 A HA 0.609 4.934 4.320 0.009 0.000 0.267 313 A C -0.316 177.254 177.584 -0.024 0.000 1.127 313 A CA -0.209 51.811 52.037 -0.030 0.000 0.795 313 A CB 0.114 19.076 19.000 -0.063 0.000 1.061 313 A HN 0.775 nan 8.150 nan 0.000 0.502 314 Q N 1.424 121.204 119.800 -0.033 0.000 2.323 314 Q HA 0.470 4.815 4.340 0.009 0.000 0.271 314 Q C 0.408 176.400 176.000 -0.014 0.000 1.048 314 Q CA -0.429 55.368 55.803 -0.011 0.000 0.792 314 Q CB 2.215 30.965 28.738 0.019 0.000 1.280 314 Q HN 0.835 nan 8.270 nan 0.000 0.441 315 G N 1.682 110.507 108.800 0.041 0.000 3.474 315 G HA2 0.031 3.996 3.960 0.009 0.000 0.269 315 G HA3 0.031 3.996 3.960 0.009 0.000 0.269 315 G C 0.185 175.205 174.900 0.201 0.000 1.339 315 G CA -0.154 45.037 45.100 0.152 0.000 1.258 315 G HN 0.429 nan 8.290 nan 0.000 0.560 316 T N 1.694 116.323 114.554 0.124 0.000 2.822 316 T HA 0.164 4.519 4.350 0.009 0.000 0.288 316 T C 0.535 175.334 174.700 0.166 0.000 0.991 316 T CA 0.516 62.686 62.100 0.117 0.000 1.176 316 T CB 0.664 69.581 68.868 0.080 0.000 0.951 316 T HN 0.078 nan 8.240 nan 0.000 0.526 317 L N 2.712 124.023 121.223 0.148 0.000 2.358 317 L HA 0.369 4.715 4.340 0.009 0.000 0.268 317 L C 1.368 178.327 176.870 0.147 0.000 1.032 317 L CA -1.148 53.790 54.840 0.164 0.000 0.805 317 L CB 0.558 42.709 42.059 0.153 0.000 1.253 317 L HN 0.510 nan 8.230 nan 0.000 0.452 318 Y N 2.717 122.977 120.300 -0.066 0.000 2.139 318 Y HA -0.172 4.383 4.550 0.007 0.000 0.282 318 Y C -0.743 175.098 175.900 -0.097 0.000 1.179 318 Y CA 1.779 59.785 58.100 -0.158 0.000 1.161 318 Y CB -1.237 36.957 38.460 -0.443 0.000 0.970 318 Y HN 0.460 nan 8.280 nan 0.000 0.511 319 P HA -0.143 nan 4.420 nan 0.000 0.218 319 P C 1.264 178.530 177.300 -0.057 0.000 1.148 319 P CA 2.228 65.308 63.100 -0.033 0.000 0.822 319 P CB -0.016 31.771 31.700 0.146 0.000 0.784 320 D N -0.804 119.592 120.400 -0.007 0.000 2.117 320 D HA -0.075 4.570 4.640 0.009 0.000 0.198 320 D C 1.465 177.745 176.300 -0.033 0.000 0.982 320 D CA 1.128 55.128 54.000 -0.000 0.000 0.828 320 D CB -0.413 40.408 40.800 0.034 0.000 0.967 320 D HN 0.051 nan 8.370 nan 0.000 0.464 321 V N 1.463 121.347 119.914 -0.050 0.000 3.593 321 V HA 0.004 4.129 4.120 0.009 0.000 0.275 321 V C 1.053 177.039 176.094 -0.179 0.000 1.237 321 V CA 0.564 62.830 62.300 -0.057 0.000 1.194 321 V CB -0.829 31.027 31.823 0.055 0.000 0.949 321 V HN 0.079 nan 8.190 nan 0.000 0.467 349 E N 1.455 121.768 120.200 0.189 0.000 2.174 349 E HA 0.510 4.866 4.350 0.009 0.000 0.282 349 E C -1.117 175.674 176.600 0.319 0.000 0.992 349 E CA -0.298 56.190 56.400 0.146 0.000 0.803 349 E CB 0.916 30.557 29.700 -0.099 0.000 1.090 349 E HN 0.576 nan 8.360 nan 0.000 0.396 350 L N 4.556 125.924 121.223 0.242 0.000 2.490 350 L HA 0.089 4.435 4.340 0.009 0.000 0.274 350 L C -0.291 176.703 176.870 0.207 0.000 1.201 350 L CA 0.000 54.960 54.840 0.200 0.000 0.869 350 L CB 0.294 42.433 42.059 0.134 0.000 1.123 350 L HN 0.546 nan 8.230 nan 0.000 0.484 351 L N 4.983 126.282 121.223 0.126 0.000 2.489 351 L HA 0.252 4.598 4.340 0.009 0.000 0.257 351 L C -0.410 176.422 176.870 -0.063 0.000 1.215 351 L CA -0.131 54.715 54.840 0.009 0.000 0.915 351 L CB 1.055 43.078 42.059 -0.061 0.000 1.146 351 L HN 0.595 nan 8.230 nan 0.000 0.494 352 E N 4.042 124.208 120.200 -0.057 0.000 2.183 352 E HA 0.414 4.770 4.350 0.009 0.000 0.250 352 E C -2.390 174.130 176.600 -0.133 0.000 0.901 352 E CA -1.740 54.603 56.400 -0.095 0.000 0.741 352 E CB 1.307 30.999 29.700 -0.013 0.000 1.182 352 E HN 0.374 nan 8.360 nan 0.000 0.425 353 P HA -0.032 nan 4.420 nan 0.000 0.229 353 P C 0.143 177.376 177.300 -0.113 0.000 1.160 353 P CA 0.388 63.319 63.100 -0.282 0.000 0.777 353 P CB 0.025 31.455 31.700 -0.451 0.000 0.814 354 F N 0.763 120.728 119.950 0.025 0.000 2.639 354 F HA 0.291 4.823 4.527 0.008 0.000 0.300 354 F C 2.198 178.033 175.800 0.058 0.000 1.109 354 F CA -1.049 56.976 58.000 0.041 0.000 1.335 354 F CB -0.879 38.146 39.000 0.042 0.000 1.014 354 F HN -0.088 nan 8.300 nan 0.000 0.537 355 R N 0.824 121.436 120.500 0.187 0.000 2.200 355 R HA -0.096 4.249 4.340 0.009 0.000 0.234 355 R C 0.627 177.043 176.300 0.194 0.000 1.127 355 R CA 1.513 57.712 56.100 0.164 0.000 0.989 355 R CB -0.527 29.842 30.300 0.115 0.000 0.869 355 R HN 0.357 nan 8.270 nan 0.000 0.459 356 L N 1.224 122.527 121.223 0.132 0.000 2.965 356 L HA 0.344 4.690 4.340 0.009 0.000 0.254 356 L C -0.775 176.038 176.870 -0.095 0.000 1.220 356 L CA -0.585 54.221 54.840 -0.057 0.000 1.023 356 L CB 0.468 42.493 42.059 -0.056 0.000 1.355 356 L HN 0.039 nan 8.230 nan 0.000 0.545 357 L N -0.435 120.824 121.223 0.061 0.000 2.342 357 L HA 0.521 4.866 4.340 0.009 0.000 0.271 357 L C -0.263 176.631 176.870 0.039 0.000 1.008 357 L CA -0.282 54.609 54.840 0.086 0.000 0.818 357 L CB 1.500 43.646 42.059 0.145 0.000 1.296 357 L HN -0.193 nan 8.230 nan 0.000 0.427 358 F N 1.243 121.317 119.950 0.207 0.000 2.379 358 F HA 0.318 4.850 4.527 0.009 0.000 0.332 358 F C 1.612 177.471 175.800 0.099 0.000 1.096 358 F CA -0.399 57.706 58.000 0.175 0.000 1.105 358 F CB 0.922 40.027 39.000 0.175 0.000 1.189 358 F HN 0.525 nan 8.300 nan 0.000 0.515 359 K N 0.923 121.500 120.400 0.295 0.000 2.089 359 K HA -0.252 4.073 4.320 0.009 0.000 0.210 359 K C 1.516 178.175 176.600 0.098 0.000 1.048 359 K CA 2.242 58.616 56.287 0.145 0.000 0.926 359 K CB -0.167 32.423 32.500 0.149 0.000 0.714 359 K HN 0.797 nan 8.250 nan 0.000 0.448 360 D N 0.072 120.554 120.400 0.136 0.000 2.218 360 D HA -0.187 4.459 4.640 0.009 0.000 0.204 360 D C 1.112 177.447 176.300 0.058 0.000 0.976 360 D CA 1.305 55.354 54.000 0.082 0.000 0.853 360 D CB -0.313 40.529 40.800 0.070 0.000 0.939 360 D HN 0.464 nan 8.370 nan 0.000 0.481 361 E N 0.069 120.331 120.200 0.102 0.000 2.216 361 E HA -0.021 4.334 4.350 0.009 0.000 0.192 361 E C 2.211 178.764 176.600 -0.078 0.000 0.988 361 E CA 0.367 56.794 56.400 0.045 0.000 0.834 361 E CB 0.271 30.067 29.700 0.161 0.000 0.772 361 E HN 0.162 nan 8.360 nan 0.000 0.479 362 V N 1.194 121.028 119.914 -0.132 0.000 2.453 362 V HA -0.188 3.937 4.120 0.009 0.000 0.247 362 V C 2.171 178.140 176.094 -0.209 0.000 1.048 362 V CA 1.461 63.563 62.300 -0.330 0.000 1.049 362 V CB -0.404 31.141 31.823 -0.462 0.000 0.672 362 V HN 0.164 nan 8.190 nan 0.000 0.457 363 R N -0.306 120.131 120.500 -0.105 0.000 2.120 363 R HA -0.139 4.207 4.340 0.009 0.000 0.234 363 R C 2.377 178.637 176.300 -0.067 0.000 1.123 363 R CA 1.125 57.187 56.100 -0.064 0.000 0.975 363 R CB -0.211 30.079 30.300 -0.017 0.000 0.866 363 R HN 0.438 nan 8.270 nan 0.000 0.446 364 E N 0.895 121.052 120.200 -0.071 0.000 2.072 364 E HA -0.127 4.229 4.350 0.009 0.000 0.191 364 E C 2.050 178.597 176.600 -0.089 0.000 0.985 364 E CA 1.020 57.375 56.400 -0.075 0.000 0.801 364 E CB -0.085 29.565 29.700 -0.083 0.000 0.750 364 E HN 0.319 nan 8.360 nan 0.000 0.452 365 L N 0.148 121.303 121.223 -0.114 0.000 2.093 365 L HA -0.129 4.216 4.340 0.009 0.000 0.208 365 L C 2.466 179.291 176.870 -0.074 0.000 1.085 365 L CA 0.963 55.743 54.840 -0.099 0.000 0.755 365 L CB -0.484 41.507 42.059 -0.114 0.000 0.904 365 L HN 0.055 nan 8.230 nan 0.000 0.435 366 A N -0.061 122.708 122.820 -0.085 0.000 1.978 366 A HA -0.211 4.115 4.320 0.009 0.000 0.220 366 A C 2.308 179.865 177.584 -0.045 0.000 1.170 366 A CA 1.383 53.385 52.037 -0.058 0.000 0.636 366 A CB -0.581 18.383 19.000 -0.061 0.000 0.810 366 A HN 0.407 nan 8.150 nan 0.000 0.448 367 L N -1.097 120.097 121.223 -0.049 0.000 2.027 367 L HA -0.140 4.206 4.340 0.009 0.000 0.206 367 L C 2.284 179.130 176.870 -0.040 0.000 1.074 367 L CA 1.329 56.144 54.840 -0.042 0.000 0.745 367 L CB -0.284 41.749 42.059 -0.042 0.000 0.898 367 L HN 0.327 nan 8.230 nan 0.000 0.433 368 L N -0.206 120.990 121.223 -0.045 0.000 2.083 368 L HA -0.191 4.155 4.340 0.009 0.000 0.209 368 L C 2.183 179.033 176.870 -0.032 0.000 1.083 368 L CA 1.497 56.312 54.840 -0.041 0.000 0.752 368 L CB -0.684 41.346 42.059 -0.048 0.000 0.899 368 L HN 0.215 nan 8.230 nan 0.000 0.433 369 L N -0.336 120.869 121.223 -0.029 0.000 2.675 369 L HA 0.094 4.439 4.340 0.009 0.000 0.239 369 L C 1.248 178.104 176.870 -0.023 0.000 1.151 369 L CA 0.472 55.300 54.840 -0.021 0.000 0.905 369 L CB -0.928 41.125 42.059 -0.010 0.000 1.057 369 L HN 0.546 nan 8.230 nan 0.000 0.435 370 G N 0.842 109.626 108.800 -0.026 0.000 2.198 370 G HA2 -0.310 3.655 3.960 0.009 0.000 0.260 370 G HA3 -0.310 3.655 3.960 0.009 0.000 0.260 370 G C -0.061 174.822 174.900 -0.028 0.000 1.025 370 G CA 0.093 45.177 45.100 -0.026 0.000 0.769 370 G HN 0.238 nan 8.290 nan 0.000 0.507 371 L N 2.128 123.333 121.223 -0.030 0.000 2.367 371 L HA 0.569 4.915 4.340 0.009 0.000 0.275 371 L C -1.121 175.729 176.870 -0.034 0.000 1.129 371 L CA -1.983 52.838 54.840 -0.032 0.000 0.839 371 L CB 0.357 42.397 42.059 -0.031 0.000 1.133 371 L HN 0.066 nan 8.230 nan 0.000 0.453 372 P HA 0.066 nan 4.420 nan 0.000 0.271 372 P C -0.446 176.829 177.300 -0.043 0.000 1.218 372 P CA -0.226 62.850 63.100 -0.041 0.000 0.780 372 P CB 0.751 32.425 31.700 -0.045 0.000 0.901 373 D N 1.032 121.406 120.400 -0.043 0.000 2.265 373 D HA -0.127 4.518 4.640 0.009 0.000 0.208 373 D C 1.825 178.089 176.300 -0.059 0.000 0.977 373 D CA 1.765 55.739 54.000 -0.044 0.000 0.871 373 D CB -0.601 40.174 40.800 -0.041 0.000 0.925 373 D HN 0.519 nan 8.370 nan 0.000 0.485 374 T N -1.411 113.101 114.554 -0.070 0.000 2.803 374 T HA -0.132 4.223 4.350 0.009 0.000 0.269 374 T C 1.974 176.621 174.700 -0.088 0.000 1.052 374 T CA 0.857 62.901 62.100 -0.093 0.000 1.136 374 T CB -0.166 68.649 68.868 -0.089 0.000 0.864 374 T HN 0.194 nan 8.240 nan 0.000 0.467 375 L N -1.031 120.154 121.223 -0.064 0.000 2.781 375 L HA 0.443 4.789 4.340 0.009 0.000 0.245 375 L C 2.639 179.493 176.870 -0.026 0.000 1.118 375 L CA -0.243 54.568 54.840 -0.049 0.000 0.918 375 L CB 0.067 42.094 42.059 -0.053 0.000 1.246 375 L HN 0.049 nan 8.230 nan 0.000 0.526 376 R N 0.739 121.223 120.500 -0.026 0.000 2.246 376 R HA 0.113 4.459 4.340 0.009 0.000 0.199 376 R C 1.155 177.459 176.300 0.006 0.000 0.984 376 R CA 0.708 56.799 56.100 -0.015 0.000 1.015 376 R CB 0.339 30.625 30.300 -0.023 0.000 0.930 376 R HN 0.315 nan 8.270 nan 0.000 0.475 377 L N 0.967 122.197 121.223 0.011 0.000 3.014 377 L HA 0.338 4.683 4.340 0.009 0.000 0.263 377 L C -0.153 176.773 176.870 0.093 0.000 1.207 377 L CA -0.378 54.492 54.840 0.050 0.000 1.017 377 L CB 0.462 42.544 42.059 0.038 0.000 1.360 377 L HN -0.042 nan 8.230 nan 0.000 0.560 378 R N -0.314 120.227 120.500 0.068 0.000 2.539 378 R HA 0.271 4.617 4.340 0.009 0.000 0.275 378 R C -0.214 176.190 176.300 0.173 0.000 1.077 378 R CA -0.445 55.714 56.100 0.099 0.000 1.097 378 R CB 0.559 30.884 30.300 0.042 0.000 1.018 378 R HN 0.220 nan 8.270 nan 0.000 0.483 379 H N 2.241 121.436 119.070 0.210 0.000 2.679 379 H HA 0.085 4.647 4.556 0.009 0.000 0.369 379 H C -1.619 173.780 175.328 0.119 0.000 1.178 379 H CA -1.503 54.608 56.048 0.106 0.000 1.419 379 H CB 0.269 30.041 29.762 0.016 0.000 1.458 379 H HN 0.411 nan 8.280 nan 0.000 0.605 380 P HA -0.009 nan 4.420 nan 0.000 0.270 380 P C -1.073 176.356 177.300 0.214 0.000 1.223 380 P CA 0.216 63.375 63.100 0.098 0.000 0.785 380 P CB 0.761 32.374 31.700 -0.146 0.000 0.923 381 F N 2.496 122.442 119.950 -0.007 0.000 2.569 381 F HA 0.445 4.977 4.527 0.009 0.000 0.312 381 F C -2.346 173.436 175.800 -0.031 0.000 1.109 381 F CA -2.508 55.497 58.000 0.008 0.000 0.919 381 F CB 1.517 40.541 39.000 0.041 0.000 1.211 381 F HN 0.206 nan 8.300 nan 0.000 0.446 382 P HA 0.231 nan 4.420 nan 0.000 0.272 382 P C 0.451 177.528 177.300 -0.372 0.000 1.223 382 P CA -0.048 62.816 63.100 -0.394 0.000 0.784 382 P CB 1.195 32.663 31.700 -0.387 0.000 0.923 383 G N 2.179 110.835 108.800 -0.241 0.000 2.446 383 G HA2 -0.162 3.803 3.960 0.009 0.000 0.217 383 G HA3 -0.162 3.803 3.960 0.009 0.000 0.217 383 G C -0.919 173.829 174.900 -0.255 0.000 1.168 383 G CA 0.640 45.611 45.100 -0.214 0.000 0.771 383 G HN 0.440 nan 8.290 nan 0.000 0.551 384 P HA 0.099 nan 4.420 nan 0.000 0.230 384 P C 1.572 178.596 177.300 -0.459 0.000 1.158 384 P CA 1.148 64.050 63.100 -0.330 0.000 0.769 384 P CB -0.073 31.498 31.700 -0.215 0.000 0.807 385 G N 0.105 108.588 108.800 -0.529 0.000 2.614 385 G HA2 -0.343 3.622 3.960 0.009 0.000 0.303 385 G HA3 -0.343 3.622 3.960 0.009 0.000 0.303 385 G C 0.625 175.262 174.900 -0.439 0.000 1.270 385 G CA 0.172 44.872 45.100 -0.667 0.000 0.988 385 G HN 0.196 nan 8.290 nan 0.000 0.551 386 L N 1.949 123.096 121.223 -0.126 0.000 2.450 386 L HA 0.192 4.538 4.340 0.009 0.000 0.224 386 L C 3.339 180.160 176.870 -0.083 0.000 1.149 386 L CA 2.455 57.278 54.840 -0.029 0.000 0.816 386 L CB -1.342 40.764 42.059 0.079 0.000 0.932 386 L HN 0.885 nan 8.230 nan 0.000 0.449 387 A N -0.273 122.463 122.820 -0.140 0.000 1.883 387 A HA -0.171 4.155 4.320 0.009 0.000 0.217 387 A C 2.060 179.598 177.584 -0.076 0.000 1.186 387 A CA 1.932 53.908 52.037 -0.102 0.000 0.624 387 A CB -0.950 17.972 19.000 -0.129 0.000 0.822 387 A HN 0.315 nan 8.150 nan 0.000 0.444 388 V N -3.321 116.529 119.914 -0.106 0.000 3.592 388 V HA 0.143 4.269 4.120 0.009 0.000 0.272 388 V C 1.268 177.338 176.094 -0.040 0.000 1.228 388 V CA 1.157 63.418 62.300 -0.064 0.000 1.173 388 V CB -0.986 30.788 31.823 -0.082 0.000 0.873 388 V HN 0.467 nan 8.190 nan 0.000 0.476 389 R N -0.159 120.307 120.500 -0.056 0.000 2.546 389 R HA 0.468 4.813 4.340 0.009 0.000 0.320 389 R C -0.652 175.610 176.300 -0.063 0.000 1.021 389 R CA -0.070 55.994 56.100 -0.060 0.000 1.088 389 R CB 1.437 31.702 30.300 -0.057 0.000 1.278 389 R HN 0.453 nan 8.270 nan 0.000 0.557 390 V N 2.216 122.113 119.914 -0.029 0.000 2.357 390 V HA 0.181 4.307 4.120 0.009 0.000 0.281 390 V C -0.486 175.625 176.094 0.028 0.000 1.015 390 V CA -0.862 61.432 62.300 -0.010 0.000 0.827 390 V CB 1.656 33.476 31.823 -0.005 0.000 1.018 390 V HN 0.134 nan 8.190 nan 0.000 0.432 391 L N 5.754 127.007 121.223 0.051 0.000 2.699 391 L HA 0.582 4.928 4.340 0.009 0.000 0.283 391 L C 1.020 177.934 176.870 0.073 0.000 1.166 391 L CA 1.715 56.605 54.840 0.085 0.000 1.043 391 L CB -0.709 41.427 42.059 0.130 0.000 1.369 391 L HN 0.985 nan 8.230 nan 0.000 0.462 392 G N 2.404 111.238 108.800 0.057 0.000 2.316 392 G HA2 -0.104 3.862 3.960 0.009 0.000 0.349 392 G HA3 -0.104 3.862 3.960 0.009 0.000 0.349 392 G C -0.639 174.288 174.900 0.045 0.000 1.274 392 G CA -0.847 44.284 45.100 0.051 0.000 1.018 392 G HN 0.423 nan 8.290 nan 0.000 0.486 393 E N -0.390 119.837 120.200 0.045 0.000 2.585 393 E HA 0.287 4.643 4.350 0.009 0.000 0.252 393 E C 0.393 177.020 176.600 0.046 0.000 0.981 393 E CA -0.189 56.236 56.400 0.042 0.000 0.943 393 E CB 0.438 30.162 29.700 0.040 0.000 0.923 393 E HN 0.459 nan 8.360 nan 0.000 0.486 394 V N 6.009 125.945 119.914 0.037 0.000 2.405 394 V HA 0.105 4.231 4.120 0.009 0.000 0.264 394 V C 0.625 176.742 176.094 0.039 0.000 1.048 394 V CA 0.078 62.398 62.300 0.032 0.000 0.966 394 V CB 0.434 32.270 31.823 0.022 0.000 1.015 394 V HN 0.782 nan 8.190 nan 0.000 0.477 395 T N 0.603 115.182 114.554 0.041 0.000 2.942 395 T HA 0.470 4.826 4.350 0.009 0.000 0.289 395 T C 0.760 175.480 174.700 0.034 0.000 1.044 395 T CA -0.565 61.560 62.100 0.043 0.000 1.023 395 T CB 2.193 71.093 68.868 0.053 0.000 1.123 395 T HN 0.401 nan 8.240 nan 0.000 0.512 396 E N 0.475 120.696 120.200 0.036 0.000 2.077 396 E HA -0.158 4.197 4.350 0.009 0.000 0.193 396 E C 1.917 178.528 176.600 0.018 0.000 0.989 396 E CA 1.815 58.233 56.400 0.030 0.000 0.800 396 E CB -0.345 29.376 29.700 0.034 0.000 0.746 396 E HN 0.867 nan 8.360 nan 0.000 0.452 397 E N -0.071 120.144 120.200 0.026 0.000 2.130 397 E HA -0.268 4.087 4.350 0.009 0.000 0.196 397 E C 2.037 178.628 176.600 -0.014 0.000 0.998 397 E CA 1.202 57.615 56.400 0.022 0.000 0.806 397 E CB 0.001 29.732 29.700 0.053 0.000 0.738 397 E HN 0.179 nan 8.360 nan 0.000 0.459 398 R N -0.205 120.286 120.500 -0.016 0.000 2.080 398 R HA 0.041 4.386 4.340 0.009 0.000 0.222 398 R C 2.624 178.865 176.300 -0.099 0.000 1.107 398 R CA 0.809 56.853 56.100 -0.093 0.000 0.980 398 R CB -0.144 30.141 30.300 -0.024 0.000 0.879 398 R HN 0.223 nan 8.270 nan 0.000 0.439 399 L N 0.914 122.113 121.223 -0.040 0.000 2.131 399 L HA -0.180 4.165 4.340 0.009 0.000 0.210 399 L C 2.074 178.927 176.870 -0.029 0.000 1.092 399 L CA 1.409 56.235 54.840 -0.024 0.000 0.759 399 L CB -0.347 41.715 42.059 0.006 0.000 0.903 399 L HN 0.263 nan 8.230 nan 0.000 0.435 400 E N 0.210 120.391 120.200 -0.032 0.000 2.077 400 E HA -0.202 4.153 4.350 0.009 0.000 0.193 400 E C 2.283 178.848 176.600 -0.058 0.000 0.989 400 E CA 1.170 57.552 56.400 -0.030 0.000 0.800 400 E CB -0.018 29.671 29.700 -0.019 0.000 0.746 400 E HN 0.480 nan 8.360 nan 0.000 0.452 401 I N 0.797 121.301 120.570 -0.111 0.000 2.163 401 I HA -0.231 3.945 4.170 0.009 0.000 0.240 401 I C 2.577 178.609 176.117 -0.142 0.000 1.081 401 I CA 0.626 61.829 61.300 -0.163 0.000 1.353 401 I CB -0.379 37.419 38.000 -0.336 0.000 1.054 401 I HN 0.166 nan 8.210 nan 0.000 0.407 402 L N 1.299 122.434 121.223 -0.147 0.000 2.012 402 L HA -0.217 4.128 4.340 0.009 0.000 0.210 402 L C 2.647 179.495 176.870 -0.036 0.000 1.073 402 L CA 1.853 56.634 54.840 -0.099 0.000 0.748 402 L CB -0.879 41.132 42.059 -0.081 0.000 0.891 402 L HN 0.086 nan 8.230 nan 0.000 0.431 403 R N -0.929 119.559 120.500 -0.020 0.000 2.091 403 R HA -0.155 4.190 4.340 0.009 0.000 0.238 403 R C 2.442 178.744 176.300 0.003 0.000 1.136 403 R CA 1.755 57.859 56.100 0.006 0.000 0.959 403 R CB -0.125 30.179 30.300 0.007 0.000 0.856 403 R HN 0.415 nan 8.270 nan 0.000 0.437 404 R N -0.561 119.931 120.500 -0.014 0.000 2.066 404 R HA -0.066 4.280 4.340 0.009 0.000 0.232 404 R C 2.290 178.592 176.300 0.002 0.000 1.131 404 R CA 1.310 57.405 56.100 -0.008 0.000 0.955 404 R CB -0.322 29.966 30.300 -0.020 0.000 0.851 404 R HN 0.214 nan 8.270 nan 0.000 0.432 405 A N 1.550 124.363 122.820 -0.012 0.000 1.898 405 A HA -0.216 4.110 4.320 0.009 0.000 0.216 405 A C 1.973 179.594 177.584 0.063 0.000 1.181 405 A CA 1.688 53.723 52.037 -0.002 0.000 0.620 405 A CB -0.596 18.373 19.000 -0.051 0.000 0.819 405 A HN 0.386 nan 8.150 nan 0.000 0.442 406 D N -0.162 120.281 120.400 0.072 0.000 2.123 406 D HA -0.233 4.412 4.640 0.009 0.000 0.196 406 D C 1.534 177.930 176.300 0.159 0.000 0.992 406 D CA 1.812 55.904 54.000 0.153 0.000 0.833 406 D CB -0.226 40.646 40.800 0.120 0.000 0.954 406 D HN 0.456 nan 8.370 nan 0.000 0.455 407 D N -0.110 120.341 120.400 0.085 0.000 2.144 407 D HA -0.104 4.542 4.640 0.009 0.000 0.200 407 D C 2.400 178.745 176.300 0.074 0.000 0.978 407 D CA 0.894 54.927 54.000 0.055 0.000 0.833 407 D CB -0.181 40.632 40.800 0.021 0.000 0.961 407 D HN 0.312 nan 8.370 nan 0.000 0.470 408 I N -0.270 120.353 120.570 0.088 0.000 2.252 408 I HA -0.173 4.003 4.170 0.009 0.000 0.245 408 I C 1.990 178.211 176.117 0.174 0.000 1.102 408 I CA 0.495 61.850 61.300 0.092 0.000 1.385 408 I CB -0.348 37.686 38.000 0.058 0.000 1.064 408 I HN 0.075 nan 8.210 nan 0.000 0.414 409 F N 1.922 121.893 119.950 0.035 0.000 2.095 409 F HA -0.247 4.286 4.527 0.009 0.000 0.298 409 F C 2.559 178.463 175.800 0.172 0.000 1.104 409 F CA 2.019 60.069 58.000 0.084 0.000 1.232 409 F CB -0.973 38.080 39.000 0.088 0.000 0.987 409 F HN -0.037 nan 8.300 nan 0.000 0.475 410 T N -0.391 114.202 114.554 0.064 0.000 2.746 410 T HA -0.161 4.194 4.350 0.009 0.000 0.267 410 T C 2.280 176.981 174.700 0.002 0.000 1.039 410 T CA 1.713 63.808 62.100 -0.008 0.000 1.142 410 T CB -0.499 68.390 68.868 0.034 0.000 0.866 410 T HN 0.243 nan 8.240 nan 0.000 0.444 411 S N 1.250 116.965 115.700 0.024 0.000 2.359 411 S HA 0.007 4.482 4.470 0.009 0.000 0.224 411 S C 2.037 176.689 174.600 0.086 0.000 1.035 411 S CA 0.917 59.130 58.200 0.020 0.000 1.018 411 S CB -0.511 62.706 63.200 0.028 0.000 0.876 411 S HN 0.333 nan 8.310 nan 0.000 0.448 412 L N 1.007 122.317 121.223 0.146 0.000 2.042 412 L HA -0.131 4.215 4.340 0.009 0.000 0.210 412 L C 2.293 179.392 176.870 0.382 0.000 1.076 412 L CA 1.083 56.079 54.840 0.261 0.000 0.749 412 L CB -0.536 41.638 42.059 0.191 0.000 0.893 412 L HN 0.308 nan 8.230 nan 0.000 0.432 413 L N -0.716 120.664 121.223 0.262 0.000 2.012 413 L HA -0.261 4.085 4.340 0.009 0.000 0.210 413 L C 2.856 179.792 176.870 0.110 0.000 1.073 413 L CA 1.457 56.335 54.840 0.062 0.000 0.748 413 L CB -0.462 41.589 42.059 -0.012 0.000 0.891 413 L HN 0.242 nan 8.230 nan 0.000 0.431 414 R N -0.249 120.307 120.500 0.093 0.000 2.070 414 R HA -0.211 4.135 4.340 0.009 0.000 0.233 414 R C 2.223 178.574 176.300 0.084 0.000 1.137 414 R CA 1.615 57.729 56.100 0.023 0.000 0.945 414 R CB -0.412 29.811 30.300 -0.129 0.000 0.845 414 R HN 0.376 nan 8.270 nan 0.000 0.430 415 E N 0.019 120.304 120.200 0.142 0.000 2.097 415 E HA -0.232 4.123 4.350 0.009 0.000 0.196 415 E C 1.128 177.888 176.600 0.267 0.000 1.000 415 E CA 1.357 57.874 56.400 0.195 0.000 0.804 415 E CB -0.061 29.796 29.700 0.262 0.000 0.740 415 E HN 0.364 nan 8.360 nan 0.000 0.454 416 W N 0.014 121.340 121.300 0.043 0.000 3.180 416 W HA 0.275 4.941 4.660 0.009 0.000 0.254 416 W C 1.205 177.684 176.519 -0.066 0.000 1.318 416 W CA 0.997 58.341 57.345 -0.001 0.000 1.608 416 W CB 0.228 29.682 29.460 -0.010 0.000 1.124 416 W HN 0.344 nan 8.180 nan 0.000 0.694 417 G N 0.445 109.317 108.800 0.120 0.000 2.179 417 G HA2 -0.326 3.639 3.960 0.009 0.000 0.257 417 G HA3 -0.326 3.639 3.960 0.009 0.000 0.257 417 G C 0.712 175.632 174.900 0.033 0.000 1.010 417 G CA 0.541 45.671 45.100 0.050 0.000 0.736 417 G HN 0.365 nan 8.290 nan 0.000 0.513 418 L N -1.791 119.435 121.223 0.005 0.000 2.463 418 L HA 0.217 4.562 4.340 0.009 0.000 0.219 418 L C 2.263 179.119 176.870 -0.023 0.000 1.088 418 L CA 0.417 55.207 54.840 -0.084 0.000 0.849 418 L CB -0.273 41.589 42.059 -0.329 0.000 1.012 418 L HN 0.301 nan 8.230 nan 0.000 0.468 419 Y N 2.265 122.521 120.300 -0.073 0.000 2.114 419 Y HA -0.356 4.200 4.550 0.009 0.000 0.282 419 Y C 2.516 178.475 175.900 0.098 0.000 1.165 419 Y CA 2.369 60.467 58.100 -0.003 0.000 1.148 419 Y CB 0.001 38.407 38.460 -0.090 0.000 0.972 419 Y HN 0.375 nan 8.280 nan 0.000 0.504 420 E N -0.406 119.918 120.200 0.206 0.000 2.418 420 E HA -0.131 4.225 4.350 0.009 0.000 0.197 420 E C 1.447 178.077 176.600 0.050 0.000 1.026 420 E CA 1.073 57.559 56.400 0.143 0.000 0.862 420 E CB -0.246 29.519 29.700 0.108 0.000 0.799 420 E HN 0.417 nan 8.360 nan 0.000 0.518 421 K N 1.099 121.502 120.400 0.005 0.000 2.404 421 K HA 0.110 4.436 4.320 0.009 0.000 0.194 421 K C 0.179 176.731 176.600 -0.079 0.000 1.023 421 K CA 0.204 56.468 56.287 -0.039 0.000 1.094 421 K CB 1.098 33.570 32.500 -0.046 0.000 0.841 421 K HN 0.128 nan 8.250 nan 0.000 0.523 422 V N -4.096 115.753 119.914 -0.109 0.000 2.914 422 V HA 0.617 4.742 4.120 0.009 0.000 0.314 422 V C 0.645 176.549 176.094 -0.318 0.000 1.084 422 V CA -0.796 61.392 62.300 -0.187 0.000 0.963 422 V CB 1.756 33.469 31.823 -0.183 0.000 1.025 422 V HN -0.070 nan 8.190 nan 0.000 0.432 423 A N 1.861 124.497 122.820 -0.307 0.000 2.016 423 A HA 0.262 4.588 4.320 0.009 0.000 0.217 423 A C 0.938 178.260 177.584 -0.437 0.000 1.162 423 A CA 1.351 53.211 52.037 -0.295 0.000 0.662 423 A CB -0.190 18.612 19.000 -0.331 0.000 0.812 423 A HN 1.067 nan 8.150 nan 0.000 0.450 424 Q N -2.691 116.808 119.800 -0.501 0.000 2.479 424 Q HA 0.569 4.914 4.340 0.009 0.000 0.276 424 Q C -1.982 173.899 176.000 -0.198 0.000 0.989 424 Q CA -0.242 55.310 55.803 -0.418 0.000 0.864 424 Q CB 1.756 30.553 28.738 0.099 0.000 1.444 424 Q HN 0.526 nan 8.270 nan 0.000 0.388 425 A N 2.239 125.046 122.820 -0.022 0.000 2.486 425 A HA 0.878 5.204 4.320 0.009 0.000 0.300 425 A C -1.799 175.978 177.584 0.321 0.000 1.048 425 A CA -0.485 51.665 52.037 0.188 0.000 0.696 425 A CB 1.120 20.142 19.000 0.037 0.000 1.278 425 A HN 0.706 nan 8.150 nan 0.000 0.405 426 L N -1.568 119.915 121.223 0.433 0.000 2.671 426 L HA 1.022 5.368 4.340 0.009 0.000 0.259 426 L C -0.451 176.567 176.870 0.248 0.000 1.021 426 L CA -0.654 54.390 54.840 0.340 0.000 0.871 426 L CB 1.402 43.589 42.059 0.213 0.000 1.472 426 L HN 1.384 nan 8.230 nan 0.000 0.410 427 A N 0.771 123.664 122.820 0.121 0.000 2.365 427 A HA 0.942 5.267 4.320 0.009 0.000 0.318 427 A C -1.132 176.345 177.584 -0.177 0.000 1.091 427 A CA -0.761 51.227 52.037 -0.082 0.000 0.763 427 A CB 1.931 20.898 19.000 -0.055 0.000 1.248 427 A HN 0.759 nan 8.150 nan 0.000 0.442 428 V N 2.392 122.087 119.914 -0.364 0.000 2.540 428 V HA 0.425 4.551 4.120 0.009 0.000 0.302 428 V C -0.788 175.098 176.094 -0.347 0.000 1.035 428 V CA -0.484 61.555 62.300 -0.434 0.000 0.873 428 V CB 1.468 32.756 31.823 -0.891 0.000 0.992 428 V HN 0.819 nan 8.190 nan 0.000 0.428 429 L N 4.589 125.688 121.223 -0.207 0.000 2.275 429 L HA 0.667 5.013 4.340 0.009 0.000 0.288 429 L C 0.163 177.020 176.870 -0.022 0.000 1.046 429 L CA 0.753 55.517 54.840 -0.127 0.000 0.805 429 L CB 1.597 43.564 42.059 -0.153 0.000 1.193 429 L HN 0.750 nan 8.230 nan 0.000 0.426 430 T N 6.742 121.328 114.554 0.053 0.000 2.833 430 T HA 0.467 4.822 4.350 0.009 0.000 0.297 430 T C -2.575 172.243 174.700 0.197 0.000 1.015 430 T CA -1.038 61.130 62.100 0.113 0.000 0.963 430 T CB 1.406 70.327 68.868 0.088 0.000 0.955 430 T HN 0.370 nan 8.240 nan 0.000 0.449 431 P HA 0.411 nan 4.420 nan 0.000 0.275 431 P C -0.975 176.261 177.300 -0.106 0.000 1.228 431 P CA -0.518 62.556 63.100 -0.044 0.000 0.786 431 P CB 0.855 32.557 31.700 0.003 0.000 0.927 432 V N 3.048 122.827 119.914 -0.225 0.000 2.888 432 V HA 0.527 4.652 4.120 0.009 0.000 0.309 432 V C -0.452 175.553 176.094 -0.148 0.000 1.114 432 V CA -1.070 61.152 62.300 -0.130 0.000 0.940 432 V CB 1.882 33.656 31.823 -0.082 0.000 1.021 432 V HN 0.547 nan 8.190 nan 0.000 0.426 446 Y N -1.414 118.877 120.300 -0.015 0.000 2.513 446 Y HA 0.593 5.148 4.550 0.009 0.000 0.340 446 Y C -0.259 175.623 175.900 -0.030 0.000 1.055 446 Y CA -0.816 57.271 58.100 -0.022 0.000 1.020 446 Y CB 2.671 41.114 38.460 -0.027 0.000 1.301 446 Y HN 0.433 nan 8.280 nan 0.000 0.453 447 V N 4.409 124.410 119.914 0.146 0.000 2.495 447 V HA 0.460 4.585 4.120 0.009 0.000 0.298 447 V C -0.915 175.183 176.094 0.006 0.000 1.031 447 V CA -0.756 61.577 62.300 0.055 0.000 0.871 447 V CB 1.878 33.725 31.823 0.039 0.000 0.988 447 V HN 0.591 nan 8.190 nan 0.000 0.432 448 L N 4.878 126.072 121.223 -0.047 0.000 2.296 448 L HA 0.861 5.207 4.340 0.009 0.000 0.286 448 L C 0.222 176.986 176.870 -0.177 0.000 1.023 448 L CA 0.008 54.771 54.840 -0.128 0.000 0.812 448 L CB 1.406 43.389 42.059 -0.127 0.000 1.223 448 L HN 0.732 nan 8.230 nan 0.000 0.421 449 A N 5.573 128.213 122.820 -0.300 0.000 2.258 449 A HA 0.637 4.962 4.320 0.009 0.000 0.316 449 A C -1.024 176.364 177.584 -0.327 0.000 1.279 449 A CA -0.569 51.274 52.037 -0.325 0.000 0.876 449 A CB 0.395 19.028 19.000 -0.612 0.000 1.170 449 A HN 0.536 nan 8.150 nan 0.000 0.520 450 L N 1.999 123.093 121.223 -0.216 0.000 2.371 450 L HA 0.665 5.010 4.340 0.009 0.000 0.272 450 L C 0.472 177.336 176.870 -0.011 0.000 1.124 450 L CA 0.329 55.004 54.840 -0.275 0.000 0.816 450 L CB 0.957 42.779 42.059 -0.396 0.000 1.129 450 L HN 0.830 nan 8.230 nan 0.000 0.448 451 R N 2.430 122.994 120.500 0.106 0.000 2.510 451 R HA 0.805 5.150 4.340 0.009 0.000 0.287 451 R C -1.865 174.657 176.300 0.369 0.000 1.084 451 R CA -0.259 55.935 56.100 0.157 0.000 0.934 451 R CB 1.540 31.903 30.300 0.104 0.000 1.201 451 R HN 0.732 nan 8.270 nan 0.000 0.431 452 A N 3.051 126.098 122.820 0.378 0.000 2.515 452 A HA 0.808 5.134 4.320 0.009 0.000 0.298 452 A C -1.178 176.543 177.584 0.228 0.000 1.059 452 A CA -0.154 52.084 52.037 0.334 0.000 0.698 452 A CB 1.685 20.942 19.000 0.429 0.000 1.289 452 A HN 1.150 nan 8.150 nan 0.000 0.404 453 V N -1.446 118.526 119.914 0.097 0.000 3.181 453 V HA 0.966 5.091 4.120 0.009 0.000 0.308 453 V C -0.410 175.633 176.094 -0.085 0.000 1.214 453 V CA -0.173 62.149 62.300 0.036 0.000 1.053 453 V CB 1.535 33.375 31.823 0.029 0.000 1.069 453 V HN 1.525 nan 8.190 nan 0.000 0.441 454 T N -0.773 113.709 114.554 -0.121 0.000 2.856 454 T HA 0.836 5.191 4.350 0.009 0.000 0.283 454 T C -0.307 174.249 174.700 -0.239 0.000 1.008 454 T CA -0.221 61.769 62.100 -0.183 0.000 0.997 454 T CB 1.468 70.239 68.868 -0.162 0.000 0.992 454 T HN 1.680 nan 8.240 nan 0.000 0.454 455 T N 0.407 114.766 114.554 -0.325 0.000 2.977 455 T HA 0.297 4.653 4.350 0.009 0.000 0.345 455 T C 0.295 174.770 174.700 -0.375 0.000 1.562 455 T CA -0.331 61.538 62.100 -0.385 0.000 1.090 455 T CB 1.654 70.167 68.868 -0.591 0.000 1.383 455 T HN 0.863 nan 8.240 nan 0.000 0.484 456 E N 1.571 121.611 120.200 -0.267 0.000 2.216 456 E HA 0.134 4.490 4.350 0.009 0.000 0.192 456 E C 0.331 176.853 176.600 -0.130 0.000 0.973 456 E CA 1.019 57.307 56.400 -0.186 0.000 0.851 456 E CB 0.131 29.743 29.700 -0.146 0.000 0.804 456 E HN 0.650 nan 8.360 nan 0.000 0.477 457 D N -1.411 118.937 120.400 -0.088 0.000 2.497 457 D HA 0.129 4.774 4.640 0.009 0.000 0.256 457 D C -0.220 176.210 176.300 0.218 0.000 1.273 457 D CA -0.608 53.440 54.000 0.080 0.000 0.812 457 D CB -0.388 40.448 40.800 0.061 0.000 1.190 457 D HN 0.067 nan 8.370 nan 0.000 0.524 461 A N 2.667 125.460 122.820 -0.046 0.000 2.488 461 A HA 0.722 5.047 4.320 0.009 0.000 0.295 461 A C -1.490 176.082 177.584 -0.020 0.000 1.045 461 A CA -0.847 51.143 52.037 -0.079 0.000 0.703 461 A CB 1.195 20.136 19.000 -0.098 0.000 1.271 461 A HN 0.660 nan 8.150 nan 0.000 0.400 462 D N 2.967 123.338 120.400 -0.047 0.000 2.210 462 D HA 0.291 4.936 4.640 0.009 0.000 0.249 462 D C 0.164 176.487 176.300 0.037 0.000 1.062 462 D CA 0.097 54.086 54.000 -0.018 0.000 0.891 462 D CB 0.943 41.669 40.800 -0.124 0.000 1.186 462 D HN 0.688 nan 8.370 nan 0.000 0.432 463 W N 0.427 121.720 121.300 -0.012 0.000 2.251 463 W HA 0.469 5.134 4.660 0.009 0.000 0.327 463 W C -0.491 176.069 176.519 0.069 0.000 1.361 463 W CA -1.259 56.092 57.345 0.008 0.000 1.234 463 W CB -0.167 29.279 29.460 -0.023 0.000 1.212 463 W HN 0.198 nan 8.180 nan 0.000 0.557 464 A N 6.148 129.103 122.820 0.225 0.000 2.492 464 A HA 0.203 4.528 4.320 0.009 0.000 0.254 464 A C 0.672 178.311 177.584 0.092 0.000 1.091 464 A CA -0.525 51.565 52.037 0.088 0.000 0.768 464 A CB 0.133 19.233 19.000 0.168 0.000 1.028 464 A HN 0.569 nan 8.150 nan 0.000 0.498 465 R N 3.666 124.037 120.500 -0.215 0.000 3.710 465 R HA 0.164 4.510 4.340 0.009 0.000 0.201 465 R C -0.558 175.731 176.300 -0.017 0.000 1.641 465 R CA 0.060 56.038 56.100 -0.203 0.000 1.390 465 R CB -0.817 29.291 30.300 -0.319 0.000 1.341 465 R HN 0.669 nan 8.270 nan 0.000 0.728 466 L N 2.846 124.106 121.223 0.062 0.000 2.461 466 L HA 0.166 4.511 4.340 0.009 0.000 0.272 466 L C -1.600 175.300 176.870 0.051 0.000 1.197 466 L CA -1.705 53.146 54.840 0.019 0.000 0.836 466 L CB -0.045 42.023 42.059 0.015 0.000 1.105 466 L HN 0.036 nan 8.230 nan 0.000 0.477 467 P HA -0.005 nan 4.420 nan 0.000 0.265 467 P C 0.659 178.025 177.300 0.109 0.000 1.187 467 P CA -0.013 63.166 63.100 0.132 0.000 0.766 467 P CB 0.551 32.401 31.700 0.249 0.000 0.820 468 L N 1.397 122.673 121.223 0.089 0.000 2.093 468 L HA -0.155 4.190 4.340 0.009 0.000 0.208 468 L C 2.262 179.142 176.870 0.017 0.000 1.085 468 L CA 1.415 56.285 54.840 0.049 0.000 0.755 468 L CB -0.536 41.559 42.059 0.061 0.000 0.904 468 L HN 0.529 nan 8.230 nan 0.000 0.435 469 E N 0.154 120.391 120.200 0.061 0.000 2.150 469 E HA -0.244 4.111 4.350 0.009 0.000 0.193 469 E C 2.111 178.626 176.600 -0.142 0.000 0.985 469 E CA 1.128 57.551 56.400 0.039 0.000 0.814 469 E CB 0.005 29.821 29.700 0.194 0.000 0.752 469 E HN 0.423 nan 8.360 nan 0.000 0.466 470 F N 1.185 120.899 119.950 -0.393 0.000 2.146 470 F HA -0.097 4.435 4.527 0.009 0.000 0.298 470 F C 2.104 177.670 175.800 -0.391 0.000 1.096 470 F CA 0.978 58.541 58.000 -0.730 0.000 1.275 470 F CB -0.275 38.280 39.000 -0.742 0.000 1.008 470 F HN -0.055 nan 8.300 nan 0.000 0.480 471 L N 0.154 121.204 121.223 -0.287 0.000 2.042 471 L HA -0.238 4.107 4.340 0.009 0.000 0.210 471 L C 2.181 178.858 176.870 -0.321 0.000 1.076 471 L CA 1.916 56.565 54.840 -0.318 0.000 0.749 471 L CB -0.859 41.081 42.059 -0.198 0.000 0.893 471 L HN 0.200 nan 8.230 nan 0.000 0.432 472 D N 0.024 120.281 120.400 -0.239 0.000 2.097 472 D HA -0.277 4.368 4.640 0.009 0.000 0.195 472 D C 2.099 178.261 176.300 -0.230 0.000 0.989 472 D CA 1.536 55.429 54.000 -0.178 0.000 0.827 472 D CB 0.105 40.843 40.800 -0.104 0.000 0.966 472 D HN 0.306 nan 8.370 nan 0.000 0.456 473 E N -0.479 119.524 120.200 -0.329 0.000 2.051 473 E HA -0.203 4.152 4.350 0.009 0.000 0.192 473 E C 2.010 178.396 176.600 -0.357 0.000 0.991 473 E CA 1.118 57.324 56.400 -0.323 0.000 0.799 473 E CB -0.258 29.205 29.700 -0.395 0.000 0.748 473 E HN 0.325 nan 8.360 nan 0.000 0.449 474 A N 1.085 123.575 122.820 -0.550 0.000 1.933 474 A HA -0.104 4.221 4.320 0.009 0.000 0.218 474 A C 2.370 179.805 177.584 -0.249 0.000 1.175 474 A CA 1.867 53.654 52.037 -0.416 0.000 0.628 474 A CB -0.743 17.952 19.000 -0.509 0.000 0.814 474 A HN 0.438 nan 8.150 nan 0.000 0.444 475 A N -0.390 122.289 122.820 -0.235 0.000 1.872 475 A HA -0.090 4.236 4.320 0.009 0.000 0.214 475 A C 2.260 179.775 177.584 -0.115 0.000 1.187 475 A CA 1.328 53.271 52.037 -0.156 0.000 0.614 475 A CB -0.436 18.485 19.000 -0.131 0.000 0.826 475 A HN 0.519 nan 8.150 nan 0.000 0.442 476 R N -0.925 119.506 120.500 -0.115 0.000 2.070 476 R HA -0.139 4.207 4.340 0.009 0.000 0.233 476 R C 2.555 178.813 176.300 -0.070 0.000 1.137 476 R CA 1.720 57.773 56.100 -0.079 0.000 0.945 476 R CB -0.356 29.901 30.300 -0.071 0.000 0.845 476 R HN 0.557 nan 8.270 nan 0.000 0.430 477 R N 0.928 121.377 120.500 -0.085 0.000 2.091 477 R HA -0.133 4.212 4.340 0.009 0.000 0.238 477 R C 2.194 178.464 176.300 -0.050 0.000 1.136 477 R CA 1.485 57.549 56.100 -0.061 0.000 0.959 477 R CB -0.261 30.000 30.300 -0.065 0.000 0.856 477 R HN 0.203 nan 8.270 nan 0.000 0.437 478 I N 0.225 120.755 120.570 -0.066 0.000 2.252 478 I HA -0.256 3.920 4.170 0.009 0.000 0.245 478 I C 2.296 178.387 176.117 -0.044 0.000 1.102 478 I CA 1.872 63.139 61.300 -0.055 0.000 1.385 478 I CB -0.323 37.630 38.000 -0.078 0.000 1.064 478 I HN 0.422 nan 8.210 nan 0.000 0.414 479 T N -1.547 112.981 114.554 -0.045 0.000 3.023 479 T HA -0.149 4.206 4.350 0.009 0.000 0.266 479 T C 1.919 176.607 174.700 -0.020 0.000 1.093 479 T CA 0.666 62.749 62.100 -0.028 0.000 1.129 479 T CB -0.272 68.580 68.868 -0.027 0.000 0.899 479 T HN 0.322 nan 8.240 nan 0.000 0.491 480 R N 0.780 121.266 120.500 -0.024 0.000 2.075 480 R HA 0.102 4.447 4.340 0.009 0.000 0.226 480 R C 2.522 178.815 176.300 -0.012 0.000 1.114 480 R CA 0.441 56.532 56.100 -0.016 0.000 0.972 480 R CB 0.044 30.333 30.300 -0.018 0.000 0.869 480 R HN 0.176 nan 8.270 nan 0.000 0.437 481 R N 0.098 120.589 120.500 -0.015 0.000 2.127 481 R HA 0.051 4.396 4.340 0.009 0.000 0.217 481 R C 0.620 176.914 176.300 -0.010 0.000 1.074 481 R CA 0.708 56.801 56.100 -0.010 0.000 0.991 481 R CB 0.019 30.313 30.300 -0.010 0.000 0.895 481 R HN 0.182 nan 8.270 nan 0.000 0.450 482 V N 3.819 123.724 119.914 -0.015 0.000 2.315 482 V HA 0.245 4.370 4.120 0.009 0.000 0.265 482 V C -2.008 174.082 176.094 -0.007 0.000 1.019 482 V CA -1.968 60.322 62.300 -0.016 0.000 0.824 482 V CB 1.756 33.561 31.823 -0.031 0.000 1.072 482 V HN -0.041 nan 8.190 nan 0.000 0.448 483 P HA -0.183 nan 4.420 nan 0.000 0.220 483 P C 0.985 178.306 177.300 0.035 0.000 1.144 483 P CA 1.353 64.462 63.100 0.014 0.000 0.800 483 P CB 0.568 32.276 31.700 0.013 0.000 0.772 484 E N -0.101 120.126 120.200 0.046 0.000 2.204 484 E HA -0.030 4.325 4.350 0.009 0.000 0.195 484 E C 0.908 177.602 176.600 0.156 0.000 0.990 484 E CA 0.555 57.021 56.400 0.110 0.000 0.821 484 E CB -0.478 29.283 29.700 0.101 0.000 0.750 484 E HN 0.379 nan 8.360 nan 0.000 0.477 485 I N 0.513 121.127 120.570 0.073 0.000 2.312 485 I HA 0.161 4.336 4.170 0.009 0.000 0.291 485 I C 1.184 177.326 176.117 0.043 0.000 1.031 485 I CA -0.246 61.095 61.300 0.069 0.000 1.293 485 I CB 1.627 39.626 38.000 -0.002 0.000 1.403 485 I HN 0.028 nan 8.210 nan 0.000 0.484 486 G N 5.987 114.818 108.800 0.050 0.000 3.126 486 G HA2 0.172 4.137 3.960 0.009 0.000 0.224 486 G HA3 0.172 4.137 3.960 0.009 0.000 0.224 486 G C 0.494 175.398 174.900 0.008 0.000 1.142 486 G CA -0.088 45.025 45.100 0.022 0.000 0.759 486 G HN 0.527 nan 8.290 nan 0.000 0.550 487 R N -0.511 119.994 120.500 0.007 0.000 2.566 487 R HA 0.501 4.846 4.340 0.009 0.000 0.271 487 R C -2.028 174.261 176.300 -0.019 0.000 1.071 487 R CA -0.362 55.735 56.100 -0.005 0.000 0.915 487 R CB 2.162 32.464 30.300 0.004 0.000 1.228 487 R HN -0.076 nan 8.270 nan 0.000 0.449 488 V N 5.093 124.987 119.914 -0.033 0.000 2.540 488 V HA 0.590 4.715 4.120 0.009 0.000 0.302 488 V C -0.157 175.917 176.094 -0.032 0.000 1.035 488 V CA -0.631 61.636 62.300 -0.056 0.000 0.873 488 V CB 1.643 33.413 31.823 -0.088 0.000 0.992 488 V HN 0.604 nan 8.190 nan 0.000 0.428 489 V N 2.128 122.029 119.914 -0.022 0.000 3.113 489 V HA 0.745 4.870 4.120 0.009 0.000 0.316 489 V C -1.500 174.650 176.094 0.093 0.000 1.125 489 V CA -0.974 61.346 62.300 0.033 0.000 1.026 489 V CB 2.220 34.071 31.823 0.047 0.000 1.080 489 V HN 0.706 nan 8.190 nan 0.000 0.444 490 Y N 0.645 120.927 120.300 -0.030 0.000 2.391 490 Y HA 0.579 5.135 4.550 0.009 0.000 0.341 490 Y C -0.386 175.512 175.900 -0.002 0.000 0.965 490 Y CA -1.076 57.017 58.100 -0.012 0.000 1.067 490 Y CB 1.666 40.133 38.460 0.012 0.000 1.199 490 Y HN 0.952 nan 8.280 nan 0.000 0.450 491 D N 5.006 125.092 120.400 -0.523 0.000 2.348 491 D HA 0.133 4.778 4.640 0.009 0.000 0.253 491 D C -0.020 175.864 176.300 -0.694 0.000 1.161 491 D CA 0.185 53.955 54.000 -0.385 0.000 0.876 491 D CB 1.130 41.874 40.800 -0.093 0.000 1.160 491 D HN 0.551 nan 8.370 nan 0.000 0.459 492 L N 3.267 124.084 121.223 -0.677 0.000 2.728 492 L HA 0.136 4.481 4.340 0.009 0.000 0.238 492 L C 0.632 176.936 176.870 -0.944 0.000 1.143 492 L CA 0.204 54.281 54.840 -1.272 0.000 0.937 492 L CB -0.780 40.644 42.059 -1.058 0.000 1.225 492 L HN 0.274 nan 8.230 nan 0.000 0.507 493 T N -0.230 114.058 114.554 -0.443 0.000 2.743 493 T HA 0.414 4.769 4.350 0.009 0.000 0.293 493 T C 0.878 175.562 174.700 -0.027 0.000 0.945 493 T CA -0.034 61.938 62.100 -0.212 0.000 1.030 493 T CB 1.767 70.512 68.868 -0.206 0.000 0.912 493 T HN -0.015 nan 8.240 nan 0.000 0.483 494 S N 2.062 117.814 115.700 0.086 0.000 2.671 494 S HA 0.476 4.952 4.470 0.009 0.000 0.272 494 S C 0.129 174.765 174.600 0.059 0.000 1.174 494 S CA -0.884 57.405 58.200 0.149 0.000 1.004 494 S CB 0.706 64.029 63.200 0.206 0.000 1.077 494 S HN 0.677 nan 8.310 nan 0.000 0.553 495 K N 2.200 122.631 120.400 0.053 0.000 2.535 495 K HA 0.382 4.707 4.320 0.009 0.000 0.253 495 K C -2.746 173.871 176.600 0.027 0.000 0.953 495 K CA -2.088 54.217 56.287 0.030 0.000 0.863 495 K CB 1.234 33.755 32.500 0.034 0.000 1.111 495 K HN 0.302 nan 8.250 nan 0.000 0.431 496 P HA 0.161 nan 4.420 nan 0.000 0.275 496 P C -2.213 175.097 177.300 0.017 0.000 1.266 496 P CA -1.001 62.109 63.100 0.017 0.000 0.793 496 P CB 0.673 32.383 31.700 0.017 0.000 1.074 497 P HA 0.109 nan 4.420 nan 0.000 0.240 497 P C 0.317 177.594 177.300 -0.039 0.000 1.190 497 P CA 0.600 63.687 63.100 -0.020 0.000 0.781 497 P CB 0.330 32.011 31.700 -0.031 0.000 0.931 498 A N 0.330 123.121 122.820 -0.048 0.000 2.288 498 A HA 0.634 4.959 4.320 0.009 0.000 0.328 498 A C 0.241 177.805 177.584 -0.033 0.000 1.123 498 A CA -0.267 51.725 52.037 -0.074 0.000 0.861 498 A CB 0.433 19.349 19.000 -0.140 0.000 1.272 498 A HN 0.145 nan 8.150 nan 0.000 0.490 499 T N -0.773 113.760 114.554 -0.035 0.000 2.918 499 T HA 0.462 4.817 4.350 0.009 0.000 0.283 499 T C 1.332 176.067 174.700 0.059 0.000 1.001 499 T CA -0.664 61.446 62.100 0.017 0.000 1.041 499 T CB 0.473 69.353 68.868 0.019 0.000 1.028 499 T HN 0.359 nan 8.240 nan 0.000 0.511 500 I N 0.021 120.655 120.570 0.105 0.000 2.076 500 I HA -0.079 4.096 4.170 0.009 0.000 0.237 500 I C 1.472 177.709 176.117 0.201 0.000 1.059 500 I CA 1.430 62.823 61.300 0.154 0.000 1.317 500 I CB -0.808 37.307 38.000 0.192 0.000 1.037 500 I HN 0.699 nan 8.210 nan 0.000 0.398 501 E N -0.096 120.205 120.200 0.168 0.000 2.392 501 E HA -0.106 4.249 4.350 0.009 0.000 0.256 501 E C 0.461 177.246 176.600 0.307 0.000 1.145 501 E CA -0.169 56.351 56.400 0.201 0.000 0.929 501 E CB 0.501 30.256 29.700 0.091 0.000 0.998 501 E HN 0.269 nan 8.360 nan 0.000 0.442 502 W N 0.771 122.062 121.300 -0.015 0.000 3.139 502 W HA 0.033 4.699 4.660 0.009 0.000 0.260 502 W C 0.779 177.285 176.519 -0.021 0.000 1.312 502 W CA 0.152 57.485 57.345 -0.020 0.000 1.606 502 W CB 0.347 29.795 29.460 -0.020 0.000 1.118 502 W HN 0.566 nan 8.180 nan 0.000 0.675 503 E N 0.000 120.305 120.200 0.175 0.000 2.725 503 E HA 0.000 4.355 4.350 0.009 0.000 0.291 503 E CA 0.000 56.451 56.400 0.086 0.000 0.976 503 E CB 0.000 29.753 29.700 0.088 0.000 0.812 503 E HN 0.000 nan 8.360 nan 0.000 0.440