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 2p0r_1_B DATA FIRST_RESID 19 DATA SEQUENCE ARITHSSGQS FEQMRQECLQ RGTLFEDADF PASNSSLFYS ERPQIPFVWK DATA SEQUENCE RPGEIVKNPE FILGGATRTD ICQGELGDCW LLAAIASLTL NQKALARVIP DATA SEQUENCE QDQSFGPGYA GIFHFQFWQH SEWLDVVIDD RLPTFRDRLV FLHSADHNEF DATA SEQUENCE WSALLEKAYA KLNGSYEALK GGSAIEAMED FTGGVAETFQ TKEAPENFYE DATA SEQUENCE ILEKALKRGS LLGCFIDTRS AAESEARTPF GLIKGHAYSV TGIDQVSFRG DATA SEQUENCE QRIELIRIRN PWGQVEWNGS WSDSSPEWRS VGPAEQKRLC HTALDDGEFW DATA SEQUENCE MAFKDFKAHF DKVEICNLT 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 19 A HA 0.000 nan 4.320 nan 0.000 0.244 19 A C 0.000 177.666 177.584 0.136 0.000 1.274 19 A CA 0.000 52.138 52.037 0.169 0.000 0.836 19 A CB 0.000 19.064 19.000 0.107 0.000 0.831 20 R N 3.637 124.224 120.500 0.145 0.000 2.442 20 R HA 0.466 4.806 4.340 0.001 0.000 0.291 20 R C -0.469 175.890 176.300 0.099 0.000 1.069 20 R CA -0.276 55.884 56.100 0.101 0.000 1.022 20 R CB 0.290 30.638 30.300 0.079 0.000 0.976 20 R HN 0.638 nan 8.270 nan 0.000 0.443 21 I N 3.159 123.779 120.570 0.084 0.000 2.692 21 I HA -0.082 4.089 4.170 0.001 0.000 0.284 21 I C 1.393 177.571 176.117 0.101 0.000 1.159 21 I CA 0.660 62.015 61.300 0.093 0.000 1.423 21 I CB 1.296 39.340 38.000 0.074 0.000 1.380 21 I HN 0.789 nan 8.210 nan 0.000 0.580 22 T N 3.470 118.103 114.554 0.132 0.000 3.041 22 T HA 0.043 4.394 4.350 0.001 0.000 0.276 22 T C 0.437 175.218 174.700 0.134 0.000 0.948 22 T CA -0.123 62.048 62.100 0.118 0.000 0.885 22 T CB -0.121 68.817 68.868 0.116 0.000 1.175 22 T HN 0.502 nan 8.240 nan 0.000 0.529 23 H N 1.656 120.777 119.070 0.085 0.000 2.652 23 H HA 0.263 4.820 4.556 0.001 0.000 0.349 23 H C 1.626 177.000 175.328 0.076 0.000 1.099 23 H CA 0.850 56.958 56.048 0.100 0.000 1.417 23 H CB 1.878 31.708 29.762 0.114 0.000 1.457 23 H HN 0.352 nan 8.280 nan 0.000 0.568 24 S N 1.924 117.563 115.700 -0.101 0.000 2.419 24 S HA -0.202 4.268 4.470 0.001 0.000 0.233 24 S C 2.089 176.772 174.600 0.138 0.000 1.016 24 S CA 1.099 59.303 58.200 0.007 0.000 0.974 24 S CB -0.353 62.806 63.200 -0.070 0.000 0.786 24 S HN 0.646 nan 8.310 nan 0.000 0.492 25 S N 0.975 116.889 115.700 0.357 0.000 2.474 25 S HA 0.258 4.728 4.470 0.001 0.000 0.235 25 S C 1.901 176.587 174.600 0.143 0.000 0.997 25 S CA 0.863 59.218 58.200 0.259 0.000 0.949 25 S CB -1.162 62.209 63.200 0.284 0.000 0.766 25 S HN 1.499 nan 8.310 nan 0.000 0.517 26 G N 0.305 109.194 108.800 0.148 0.000 2.212 26 G HA2 -0.255 3.706 3.960 0.001 0.000 0.266 26 G HA3 -0.255 3.706 3.960 0.001 0.000 0.266 26 G C 0.038 174.965 174.900 0.045 0.000 0.978 26 G CA 0.408 45.557 45.100 0.082 0.000 0.632 26 G HN 0.584 nan 8.290 nan 0.000 0.537 27 Q N 0.840 120.652 119.800 0.020 0.000 2.312 27 Q HA 0.538 4.878 4.340 0.001 0.000 0.236 27 Q C 0.904 176.859 176.000 -0.076 0.000 0.965 27 Q CA 0.403 56.172 55.803 -0.055 0.000 0.894 27 Q CB 1.510 30.179 28.738 -0.115 0.000 1.225 27 Q HN 0.733 nan 8.270 nan 0.000 0.478 28 S N 0.019 115.660 115.700 -0.099 0.000 2.645 28 S HA 0.167 4.638 4.470 0.001 0.000 0.266 28 S C 0.865 175.356 174.600 -0.182 0.000 1.258 28 S CA -0.638 57.506 58.200 -0.093 0.000 0.990 28 S CB 0.327 63.482 63.200 -0.076 0.000 0.967 28 S HN 0.620 nan 8.310 nan 0.000 0.556 29 F N 1.399 121.150 119.950 -0.333 0.000 2.091 29 F HA -0.107 4.420 4.527 0.001 0.000 0.299 29 F C 2.353 177.881 175.800 -0.453 0.000 1.103 29 F CA 2.427 60.132 58.000 -0.493 0.000 1.228 29 F CB -0.628 37.880 39.000 -0.820 0.000 0.984 29 F HN 0.799 nan 8.300 nan 0.000 0.477 30 E N 0.233 120.150 120.200 -0.472 0.000 2.077 30 E HA -0.211 4.140 4.350 0.001 0.000 0.193 30 E C 2.211 178.552 176.600 -0.431 0.000 0.989 30 E CA 1.713 57.818 56.400 -0.491 0.000 0.800 30 E CB -0.364 29.202 29.700 -0.222 0.000 0.746 30 E HN 0.639 nan 8.360 nan 0.000 0.452 31 Q N -0.737 118.868 119.800 -0.325 0.000 2.079 31 Q HA -0.097 4.244 4.340 0.001 0.000 0.200 31 Q C 2.277 178.083 176.000 -0.322 0.000 0.974 31 Q CA 1.731 57.376 55.803 -0.264 0.000 0.840 31 Q CB -0.115 28.512 28.738 -0.185 0.000 0.898 31 Q HN 0.381 nan 8.270 nan 0.000 0.430 32 M N -0.351 118.989 119.600 -0.433 0.000 2.175 32 M HA -0.144 4.337 4.480 0.001 0.000 0.264 32 M C 2.261 178.234 176.300 -0.545 0.000 1.063 32 M CA 1.254 56.249 55.300 -0.508 0.000 1.119 32 M CB -0.200 31.945 32.600 -0.759 0.000 1.377 32 M HN 0.086 nan 8.290 nan 0.000 0.415 33 R N 0.257 120.349 120.500 -0.680 0.000 2.062 33 R HA -0.152 4.188 4.340 0.001 0.000 0.231 33 R C 2.336 178.389 176.300 -0.411 0.000 1.136 33 R CA 1.441 57.157 56.100 -0.640 0.000 0.948 33 R CB -0.005 29.757 30.300 -0.897 0.000 0.845 33 R HN 0.298 nan 8.270 nan 0.000 0.430 34 Q N 0.512 120.099 119.800 -0.356 0.000 2.096 34 Q HA -0.221 4.119 4.340 0.001 0.000 0.204 34 Q C 1.873 177.759 176.000 -0.189 0.000 0.982 34 Q CA 1.593 57.253 55.803 -0.239 0.000 0.850 34 Q CB -0.290 28.327 28.738 -0.200 0.000 0.901 34 Q HN 0.531 nan 8.270 nan 0.000 0.422 35 E N -0.289 119.794 120.200 -0.194 0.000 2.118 35 E HA -0.172 4.178 4.350 0.001 0.000 0.195 35 E C 2.014 178.544 176.600 -0.117 0.000 0.992 35 E CA 1.128 57.445 56.400 -0.137 0.000 0.804 35 E CB 0.113 29.737 29.700 -0.127 0.000 0.741 35 E HN 0.318 nan 8.360 nan 0.000 0.458 36 C N 0.518 119.729 119.300 -0.148 0.000 2.453 36 C HA -0.106 4.354 4.460 0.001 0.000 0.277 36 C C 2.666 177.590 174.990 -0.109 0.000 1.262 36 C CA 0.889 59.841 59.018 -0.109 0.000 1.718 36 C CB -1.028 26.637 27.740 -0.125 0.000 2.031 36 C HN 0.572 nan 8.230 nan 0.000 0.480 37 L N -0.604 120.534 121.223 -0.142 0.000 2.395 37 L HA -0.023 4.318 4.340 0.001 0.000 0.218 37 L C 2.393 179.214 176.870 -0.082 0.000 1.130 37 L CA 1.257 56.030 54.840 -0.111 0.000 0.826 37 L CB -0.933 41.050 42.059 -0.126 0.000 0.941 37 L HN 0.262 nan 8.230 nan 0.000 0.451 38 Q N 1.584 121.332 119.800 -0.087 0.000 2.096 38 Q HA -0.154 4.187 4.340 0.001 0.000 0.204 38 Q C 2.164 178.135 176.000 -0.048 0.000 0.982 38 Q CA 1.892 57.656 55.803 -0.066 0.000 0.850 38 Q CB -0.143 28.553 28.738 -0.070 0.000 0.901 38 Q HN 0.667 nan 8.270 nan 0.000 0.422 39 R N -1.138 119.334 120.500 -0.047 0.000 2.300 39 R HA 0.128 4.469 4.340 0.001 0.000 0.199 39 R C 0.997 177.282 176.300 -0.025 0.000 0.920 39 R CA 0.540 56.621 56.100 -0.031 0.000 1.046 39 R CB 0.345 30.629 30.300 -0.026 0.000 0.984 39 R HN 0.328 nan 8.270 nan 0.000 0.493 40 G N 2.093 110.873 108.800 -0.033 0.000 2.198 40 G HA2 -0.300 3.660 3.960 0.001 0.000 0.257 40 G HA3 -0.300 3.660 3.960 0.001 0.000 0.257 40 G C 0.216 175.106 174.900 -0.017 0.000 1.042 40 G CA 0.706 45.792 45.100 -0.023 0.000 0.791 40 G HN 0.456 nan 8.290 nan 0.000 0.502 41 T N -2.382 112.156 114.554 -0.027 0.000 2.841 41 T HA 0.822 5.172 4.350 0.001 0.000 0.276 41 T C 0.059 174.740 174.700 -0.032 0.000 1.003 41 T CA -1.099 60.992 62.100 -0.015 0.000 0.995 41 T CB 2.294 71.160 68.868 -0.004 0.000 1.260 41 T HN 0.539 nan 8.240 nan 0.000 0.581 42 L N 0.805 122.023 121.223 -0.008 0.000 2.334 42 L HA 0.556 4.896 4.340 0.001 0.000 0.276 42 L C -0.633 176.267 176.870 0.050 0.000 1.014 42 L CA -1.192 53.640 54.840 -0.013 0.000 0.815 42 L CB 1.560 43.629 42.059 0.017 0.000 1.268 42 L HN 0.641 nan 8.230 nan 0.000 0.428 43 F N 2.793 122.686 119.950 -0.095 0.000 2.506 43 F HA 0.165 4.693 4.527 0.001 0.000 0.371 43 F C 0.226 176.038 175.800 0.021 0.000 1.078 43 F CA -0.257 57.711 58.000 -0.054 0.000 1.195 43 F CB 0.317 39.265 39.000 -0.087 0.000 1.099 43 F HN 0.415 nan 8.300 nan 0.000 0.548 44 E N 4.340 124.194 120.200 -0.577 0.000 2.166 44 E HA 0.116 4.467 4.350 0.001 0.000 0.275 44 E C -1.244 174.743 176.600 -1.021 0.000 0.941 44 E CA -0.902 55.141 56.400 -0.595 0.000 0.784 44 E CB 1.190 30.733 29.700 -0.262 0.000 1.115 44 E HN 0.428 nan 8.360 nan 0.000 0.399 45 D N 2.254 122.197 120.400 -0.762 0.000 2.339 45 D HA 0.156 4.796 4.640 0.001 0.000 0.241 45 D C 0.664 176.906 176.300 -0.097 0.000 1.183 45 D CA -0.143 53.627 54.000 -0.385 0.000 0.859 45 D CB 1.280 42.091 40.800 0.019 0.000 1.067 45 D HN 0.534 nan 8.370 nan 0.000 0.484 46 A N 4.216 127.050 122.820 0.023 0.000 1.940 46 A HA -0.186 4.134 4.320 0.001 0.000 0.219 46 A C 1.538 179.119 177.584 -0.005 0.000 1.176 46 A CA 1.312 53.356 52.037 0.011 0.000 0.631 46 A CB -0.072 18.968 19.000 0.066 0.000 0.814 46 A HN 0.582 nan 8.150 nan 0.000 0.446 47 D N -2.600 117.798 120.400 -0.003 0.000 2.347 47 D HA 0.111 4.752 4.640 0.001 0.000 0.213 47 D C -0.361 176.050 176.300 0.184 0.000 0.985 47 D CA 0.611 54.617 54.000 0.010 0.000 0.879 47 D CB 0.163 40.900 40.800 -0.105 0.000 0.919 47 D HN 0.364 nan 8.370 nan 0.000 0.526 48 F N 1.797 121.739 119.950 -0.014 0.000 2.971 48 F HA 0.253 4.781 4.527 0.002 0.000 0.373 48 F C -2.572 173.189 175.800 -0.064 0.000 1.288 48 F CA -2.376 55.626 58.000 0.003 0.000 1.204 48 F CB 1.199 40.240 39.000 0.068 0.000 1.852 48 F HN -0.287 nan 8.300 nan 0.000 0.624 49 P HA 0.181 nan 4.420 nan 0.000 0.272 49 P C -0.361 176.497 177.300 -0.737 0.000 1.223 49 P CA -0.236 62.636 63.100 -0.380 0.000 0.784 49 P CB 1.169 32.704 31.700 -0.276 0.000 0.923 50 A N 2.076 124.379 122.820 -0.862 0.000 3.051 50 A HA 0.392 4.712 4.320 0.001 0.000 0.275 50 A C 0.623 177.287 177.584 -1.533 0.000 1.900 50 A CA 0.358 51.318 52.037 -1.795 0.000 1.496 50 A CB -1.653 16.703 19.000 -1.073 0.000 1.013 50 A HN 0.636 nan 8.150 nan 0.000 0.611 51 S N 0.072 115.164 115.700 -1.014 0.000 2.588 51 S HA 0.354 4.825 4.470 0.001 0.000 0.269 51 S C 0.506 175.156 174.600 0.084 0.000 1.157 51 S CA -0.729 57.311 58.200 -0.266 0.000 0.824 51 S CB 0.524 63.597 63.200 -0.212 0.000 1.126 51 S HN 0.257 nan 8.310 nan 0.000 0.464 52 N N 2.104 120.919 118.700 0.190 0.000 2.091 52 N HA -0.171 4.569 4.740 0.001 0.000 0.193 52 N C 2.080 177.708 175.510 0.195 0.000 1.021 52 N CA 2.159 55.358 53.050 0.249 0.000 0.862 52 N CB -0.958 37.647 38.487 0.196 0.000 1.018 52 N HN 0.854 nan 8.380 nan 0.000 0.429 53 S N -0.305 115.457 115.700 0.104 0.000 2.387 53 S HA -0.096 4.375 4.470 0.001 0.000 0.230 53 S C 2.051 176.701 174.600 0.083 0.000 1.035 53 S CA 1.514 59.771 58.200 0.096 0.000 1.014 53 S CB -0.573 62.652 63.200 0.042 0.000 0.836 53 S HN 0.208 nan 8.310 nan 0.000 0.466 54 S N 1.772 117.444 115.700 -0.046 0.000 2.428 54 S HA 0.213 4.683 4.470 0.001 0.000 0.230 54 S C 1.716 176.431 174.600 0.192 0.000 1.014 54 S CA 0.984 59.059 58.200 -0.208 0.000 0.957 54 S CB -0.432 62.244 63.200 -0.874 0.000 0.784 54 S HN 0.446 nan 8.310 nan 0.000 0.499 55 L N -0.968 120.415 121.223 0.266 0.000 2.056 55 L HA 0.198 4.538 4.340 0.001 0.000 0.202 55 L C 0.190 176.860 176.870 -0.333 0.000 1.086 55 L CA 0.926 55.792 54.840 0.044 0.000 0.758 55 L CB -0.138 41.992 42.059 0.120 0.000 0.912 55 L HN 0.204 nan 8.230 nan 0.000 0.446 56 F N -2.511 117.565 119.950 0.209 0.000 2.631 56 F HA 0.261 4.789 4.527 0.001 0.000 0.328 56 F C 0.309 176.161 175.800 0.087 0.000 1.067 56 F CA -0.939 57.099 58.000 0.063 0.000 0.969 56 F CB 1.158 40.177 39.000 0.032 0.000 1.332 56 F HN -0.020 nan 8.300 nan 0.000 0.490 57 Y N -2.036 118.466 120.300 0.336 0.000 2.610 57 Y HA 0.538 5.088 4.550 0.001 0.000 0.254 57 Y C -0.375 175.613 175.900 0.148 0.000 1.110 57 Y CA -0.398 57.822 58.100 0.199 0.000 1.238 57 Y CB 0.183 38.732 38.460 0.148 0.000 1.322 57 Y HN 0.250 nan 8.280 nan 0.000 0.547 58 S N -0.105 115.690 115.700 0.159 0.000 2.575 58 S HA 0.598 5.069 4.470 0.001 0.000 0.278 58 S C -0.878 173.710 174.600 -0.019 0.000 1.139 58 S CA -0.740 57.526 58.200 0.110 0.000 0.954 58 S CB 3.035 66.308 63.200 0.123 0.000 1.054 58 S HN 0.410 nan 8.310 nan 0.000 0.483 59 E N 0.918 121.096 120.200 -0.037 0.000 2.698 59 E HA 0.451 4.801 4.350 0.001 0.000 0.185 59 E C -0.049 176.482 176.600 -0.114 0.000 0.702 59 E CA -1.156 55.242 56.400 -0.003 0.000 1.104 59 E CB 0.838 30.566 29.700 0.047 0.000 1.831 59 E HN 0.593 nan 8.360 nan 0.000 0.370 60 R N 0.861 121.321 120.500 -0.067 0.000 2.919 60 R HA 0.193 4.533 4.340 0.001 0.000 0.284 60 R C -2.108 174.084 176.300 -0.180 0.000 1.104 60 R CA -1.018 55.058 56.100 -0.040 0.000 1.207 60 R CB -0.969 29.311 30.300 -0.032 0.000 1.162 60 R HN 0.301 nan 8.270 nan 0.000 0.561 61 P HA 0.108 nan 4.420 nan 0.000 0.277 61 P C -0.313 176.759 177.300 -0.381 0.000 1.240 61 P CA -0.323 62.537 63.100 -0.400 0.000 0.798 61 P CB 0.585 31.855 31.700 -0.716 0.000 0.979 62 Q N 0.642 120.217 119.800 -0.376 0.000 2.322 62 Q HA 0.241 4.582 4.340 0.001 0.000 0.203 62 Q C 0.006 175.809 176.000 -0.329 0.000 0.923 62 Q CA 0.298 55.932 55.803 -0.280 0.000 0.949 62 Q CB -0.225 28.386 28.738 -0.212 0.000 1.039 62 Q HN 0.379 nan 8.270 nan 0.000 0.496 63 I N 0.649 120.918 120.570 -0.501 0.000 2.842 63 I HA 0.227 4.398 4.170 0.001 0.000 0.297 63 I C -2.658 173.039 176.117 -0.699 0.000 1.380 63 I CA -2.331 58.585 61.300 -0.640 0.000 1.018 63 I CB 2.624 40.061 38.000 -0.938 0.000 1.311 63 I HN -0.199 nan 8.210 nan 0.000 0.439 64 P HA 0.225 nan 4.420 nan 0.000 0.260 64 P C -0.884 176.406 177.300 -0.017 0.000 1.651 64 P CA -0.096 62.892 63.100 -0.187 0.000 1.139 64 P CB -0.485 31.208 31.700 -0.013 0.000 1.756 65 F N 2.182 122.061 119.950 -0.119 0.000 2.543 65 F HA 0.066 4.594 4.527 0.001 0.000 0.375 65 F C 1.071 176.872 175.800 0.002 0.000 1.075 65 F CA -0.657 57.285 58.000 -0.097 0.000 1.225 65 F CB 0.276 39.150 39.000 -0.211 0.000 1.099 65 F HN 0.050 nan 8.300 nan 0.000 0.561 66 V N 3.742 123.788 119.914 0.221 0.000 2.513 66 V HA 0.252 4.373 4.120 0.001 0.000 0.299 66 V C -0.813 175.370 176.094 0.149 0.000 1.035 66 V CA -1.126 61.306 62.300 0.221 0.000 0.889 66 V CB 1.459 33.393 31.823 0.186 0.000 0.988 66 V HN 0.610 nan 8.190 nan 0.000 0.440 67 W N 4.144 125.504 121.300 0.099 0.000 2.335 67 W HA 0.561 5.222 4.660 0.001 0.000 0.306 67 W C 0.312 176.882 176.519 0.085 0.000 1.216 67 W CA -0.428 56.970 57.345 0.089 0.000 1.237 67 W CB 0.547 30.063 29.460 0.093 0.000 1.243 67 W HN 0.317 nan 8.180 nan 0.000 0.493 68 K N 3.592 124.145 120.400 0.256 0.000 2.397 68 K HA 0.467 4.788 4.320 0.001 0.000 0.253 68 K C 0.046 176.758 176.600 0.187 0.000 0.932 68 K CA -1.238 55.160 56.287 0.185 0.000 0.795 68 K CB 2.363 34.927 32.500 0.106 0.000 1.159 68 K HN 0.338 nan 8.250 nan 0.000 0.424 69 R N 1.820 122.433 120.500 0.188 0.000 2.784 69 R HA -0.008 4.332 4.340 0.001 0.000 0.266 69 R C -1.668 174.644 176.300 0.019 0.000 1.044 69 R CA -1.264 54.950 56.100 0.189 0.000 1.151 69 R CB -0.044 30.415 30.300 0.265 0.000 1.037 69 R HN 0.321 nan 8.270 nan 0.000 0.478 70 P HA -0.155 nan 4.420 nan 0.000 0.218 70 P C 1.114 178.158 177.300 -0.427 0.000 1.148 70 P CA 1.451 64.122 63.100 -0.715 0.000 0.822 70 P CB 0.076 30.999 31.700 -1.295 0.000 0.784 71 G N 0.120 108.785 108.800 -0.225 0.000 2.422 71 G HA2 -0.248 3.713 3.960 0.001 0.000 0.218 71 G HA3 -0.248 3.713 3.960 0.001 0.000 0.218 71 G C 1.323 176.202 174.900 -0.035 0.000 1.146 71 G CA 0.578 45.607 45.100 -0.119 0.000 0.769 71 G HN 0.318 nan 8.290 nan 0.000 0.547 72 E N -0.372 119.831 120.200 0.006 0.000 2.358 72 E HA 0.124 4.475 4.350 0.001 0.000 0.195 72 E C 2.212 178.827 176.600 0.024 0.000 1.010 72 E CA 0.044 56.463 56.400 0.032 0.000 0.856 72 E CB 0.104 29.844 29.700 0.066 0.000 0.795 72 E HN 0.496 nan 8.360 nan 0.000 0.504 73 I N -0.044 120.531 120.570 0.008 0.000 2.385 73 I HA -0.013 4.158 4.170 0.001 0.000 0.244 73 I C 0.680 176.839 176.117 0.071 0.000 1.089 73 I CA 0.437 61.766 61.300 0.048 0.000 1.410 73 I CB 0.610 38.675 38.000 0.109 0.000 1.117 73 I HN -0.137 nan 8.210 nan 0.000 0.429 74 V N 0.788 120.741 119.914 0.065 0.000 2.823 74 V HA 0.229 4.350 4.120 0.001 0.000 0.312 74 V C 0.524 176.627 176.094 0.014 0.000 1.072 74 V CA -0.766 61.591 62.300 0.096 0.000 0.937 74 V CB 2.361 34.319 31.823 0.224 0.000 1.013 74 V HN 0.042 nan 8.190 nan 0.000 0.430 75 K N 1.616 122.030 120.400 0.024 0.000 2.025 75 K HA 0.062 4.383 4.320 0.001 0.000 0.207 75 K C 0.544 177.124 176.600 -0.033 0.000 1.049 75 K CA 1.259 57.545 56.287 -0.002 0.000 0.933 75 K CB -0.098 32.411 32.500 0.014 0.000 0.714 75 K HN 0.530 nan 8.250 nan 0.000 0.438 76 N N 1.964 120.645 118.700 -0.031 0.000 3.112 76 N HA 0.186 4.926 4.740 0.001 0.000 0.270 76 N C -2.583 172.869 175.510 -0.096 0.000 1.385 76 N CA -1.121 51.896 53.050 -0.055 0.000 0.986 76 N CB 1.095 39.570 38.487 -0.020 0.000 1.261 76 N HN 0.111 nan 8.380 nan 0.000 0.495 77 P HA 0.227 nan 4.420 nan 0.000 0.271 77 P C -0.224 176.851 177.300 -0.375 0.000 1.218 77 P CA 0.097 62.955 63.100 -0.404 0.000 0.780 77 P CB 1.378 32.443 31.700 -1.059 0.000 0.901 78 E N 0.780 120.966 120.200 -0.024 0.000 2.356 78 E HA 0.299 4.649 4.350 0.001 0.000 0.275 78 E C -0.394 176.579 176.600 0.621 0.000 0.904 78 E CA -0.698 55.889 56.400 0.312 0.000 0.757 78 E CB 0.993 30.826 29.700 0.222 0.000 1.232 78 E HN 0.195 nan 8.360 nan 0.000 0.442 79 F N 2.851 123.181 119.950 0.634 0.000 2.074 79 F HA 0.351 4.878 4.527 0.001 0.000 0.293 79 F C 0.395 176.465 175.800 0.450 0.000 1.116 79 F CA 1.185 59.520 58.000 0.558 0.000 1.212 79 F CB 0.328 39.585 39.000 0.428 0.000 0.998 79 F HN 0.448 nan 8.300 nan 0.000 0.471 80 I N 1.056 121.840 120.570 0.357 0.000 2.509 80 I HA 0.357 4.528 4.170 0.001 0.000 0.293 80 I C -1.232 174.974 176.117 0.147 0.000 1.020 80 I CA -0.671 60.718 61.300 0.148 0.000 1.088 80 I CB 2.227 40.214 38.000 -0.023 0.000 1.267 80 I HN -0.141 nan 8.210 nan 0.000 0.430 81 L N 4.398 125.688 121.223 0.112 0.000 2.470 81 L HA 0.502 4.842 4.340 0.001 0.000 0.268 81 L C 0.577 177.473 176.870 0.043 0.000 0.964 81 L CA -0.417 54.465 54.840 0.070 0.000 0.839 81 L CB 2.097 44.191 42.059 0.058 0.000 1.276 81 L HN 0.883 nan 8.230 nan 0.000 0.403 82 G N 2.116 110.929 108.800 0.022 0.000 2.179 82 G HA2 0.049 4.010 3.960 0.001 0.000 0.257 82 G HA3 0.049 4.010 3.960 0.001 0.000 0.257 82 G C 0.599 175.495 174.900 -0.006 0.000 1.010 82 G CA 0.563 45.668 45.100 0.009 0.000 0.736 82 G HN 1.542 nan 8.290 nan 0.000 0.513 83 G N -1.654 107.130 108.800 -0.027 0.000 2.781 83 G HA2 0.420 4.380 3.960 0.001 0.000 0.683 83 G HA3 0.420 4.380 3.960 0.001 0.000 0.683 83 G C 0.160 174.983 174.900 -0.128 0.000 1.390 83 G CA 0.682 45.733 45.100 -0.082 0.000 0.850 83 G HN 2.183 nan 8.290 nan 0.000 0.557 84 A N 0.889 123.527 122.820 -0.303 0.000 2.621 84 A HA 0.809 5.130 4.320 0.001 0.000 0.329 84 A C 0.841 178.308 177.584 -0.196 0.000 1.458 84 A CA 1.069 52.765 52.037 -0.570 0.000 1.052 84 A CB -0.303 17.917 19.000 -1.300 0.000 1.142 84 A HN 2.255 nan 8.150 nan 0.000 0.523 85 T N -1.382 113.233 114.554 0.102 0.000 2.927 85 T HA 0.451 4.802 4.350 0.001 0.000 0.286 85 T C 1.170 175.963 174.700 0.155 0.000 1.040 85 T CA -0.545 61.602 62.100 0.079 0.000 1.010 85 T CB 1.167 70.055 68.868 0.033 0.000 1.177 85 T HN 0.616 nan 8.240 nan 0.000 0.546 86 R N -0.042 120.495 120.500 0.062 0.000 2.189 86 R HA -0.069 4.272 4.340 0.001 0.000 0.223 86 R C 1.691 177.993 176.300 0.003 0.000 1.092 86 R CA 1.802 57.920 56.100 0.030 0.000 0.989 86 R CB -1.361 28.930 30.300 -0.015 0.000 0.876 86 R HN 0.806 nan 8.270 nan 0.000 0.457 87 T N -1.637 112.923 114.554 0.010 0.000 3.098 87 T HA -0.038 4.313 4.350 0.001 0.000 0.266 87 T C 0.635 175.312 174.700 -0.038 0.000 1.145 87 T CA 1.009 63.103 62.100 -0.010 0.000 1.092 87 T CB -0.061 68.807 68.868 -0.001 0.000 0.908 87 T HN 0.219 nan 8.240 nan 0.000 0.526 88 D N 0.843 121.231 120.400 -0.020 0.000 2.339 88 D HA 0.155 4.795 4.640 0.001 0.000 0.217 88 D C 0.136 176.263 176.300 -0.289 0.000 1.050 88 D CA 0.020 53.949 54.000 -0.118 0.000 0.856 88 D CB 0.161 40.979 40.800 0.029 0.000 0.922 88 D HN 0.406 nan 8.370 nan 0.000 0.518 89 I N 2.069 122.511 120.570 -0.215 0.000 2.417 89 I HA 0.122 4.292 4.170 0.001 0.000 0.283 89 I C -0.318 175.667 176.117 -0.220 0.000 1.121 89 I CA -0.897 60.248 61.300 -0.257 0.000 1.211 89 I CB -0.340 37.551 38.000 -0.182 0.000 1.492 89 I HN -0.136 nan 8.210 nan 0.000 0.522 90 C N 4.331 123.424 119.300 -0.345 0.000 2.264 90 C HA 0.352 4.812 4.460 0.001 0.000 0.324 90 C C 0.874 175.633 174.990 -0.384 0.000 1.267 90 C CA -0.913 57.886 59.018 -0.364 0.000 1.618 90 C CB 0.510 27.935 27.740 -0.524 0.000 2.278 90 C HN 0.623 nan 8.230 nan 0.000 0.499 91 Q N 1.800 121.563 119.800 -0.062 0.000 2.330 91 Q HA 0.397 4.738 4.340 0.001 0.000 0.279 91 Q C 0.743 176.852 176.000 0.182 0.000 1.024 91 Q CA 0.351 56.200 55.803 0.076 0.000 0.900 91 Q CB 0.871 29.767 28.738 0.262 0.000 1.221 91 Q HN 0.956 nan 8.270 nan 0.000 0.396 92 G N 2.435 111.376 108.800 0.237 0.000 2.714 92 G HA2 0.099 4.059 3.960 0.001 0.000 0.197 92 G HA3 0.099 4.059 3.960 0.001 0.000 0.197 92 G C -0.766 174.258 174.900 0.207 0.000 1.449 92 G CA -0.470 44.773 45.100 0.238 0.000 1.065 92 G HN 0.765 nan 8.290 nan 0.000 0.575 93 E N 0.022 120.354 120.200 0.220 0.000 2.261 93 E HA 0.342 4.693 4.350 0.001 0.000 0.308 93 E C -1.193 175.627 176.600 0.366 0.000 1.400 93 E CA -0.100 56.437 56.400 0.229 0.000 1.542 93 E CB 0.262 30.050 29.700 0.146 0.000 1.369 93 E HN 0.075 nan 8.360 nan 0.000 0.493 94 L N -0.692 120.708 121.223 0.295 0.000 2.611 94 L HA 0.328 4.668 4.340 0.001 0.000 0.260 94 L C 0.034 177.030 176.870 0.210 0.000 0.924 94 L CA -0.257 54.725 54.840 0.237 0.000 0.901 94 L CB 1.798 43.928 42.059 0.118 0.000 1.369 94 L HN 0.139 nan 8.230 nan 0.000 0.415 95 G N 1.887 110.818 108.800 0.219 0.000 3.401 95 G HA2 0.271 4.231 3.960 0.001 0.000 0.251 95 G HA3 0.271 4.231 3.960 0.001 0.000 0.251 95 G C -0.100 174.938 174.900 0.229 0.000 0.960 95 G CA 0.286 45.532 45.100 0.243 0.000 1.900 95 G HN 0.703 nan 8.290 nan 0.000 0.645 96 D N -0.368 120.072 120.400 0.066 0.000 2.755 96 D HA -0.026 4.614 4.640 0.001 0.000 0.257 96 D C 1.914 177.937 176.300 -0.461 0.000 1.291 96 D CA -0.317 53.517 54.000 -0.276 0.000 0.836 96 D CB -0.954 39.609 40.800 -0.394 0.000 1.059 96 D HN 0.246 nan 8.370 nan 0.000 0.486 97 C N -0.379 118.799 119.300 -0.204 0.000 2.385 97 C HA -0.177 4.284 4.460 0.001 0.000 0.275 97 C C 2.648 177.451 174.990 -0.310 0.000 1.207 97 C CA 0.970 59.795 59.018 -0.322 0.000 1.760 97 C CB -1.753 25.633 27.740 -0.589 0.000 2.051 97 C HN 0.670 nan 8.230 nan 0.000 0.467 98 W N 2.291 123.468 121.300 -0.205 0.000 2.305 98 W HA -0.180 4.480 4.660 0.001 0.000 0.308 98 W C 2.111 178.541 176.519 -0.149 0.000 1.226 98 W CA 1.395 58.639 57.345 -0.169 0.000 1.253 98 W CB -1.625 27.740 29.460 -0.157 0.000 1.146 98 W HN 0.421 nan 8.180 nan 0.000 0.507 99 L N 1.433 122.028 121.223 -1.046 0.000 2.072 99 L HA -0.007 4.334 4.340 0.001 0.000 0.205 99 L C 2.591 179.199 176.870 -0.437 0.000 1.079 99 L CA 1.690 55.956 54.840 -0.956 0.000 0.752 99 L CB -1.001 40.159 42.059 -1.499 0.000 0.906 99 L HN -0.055 nan 8.230 nan 0.000 0.436 100 L N -0.300 120.676 121.223 -0.412 0.000 2.027 100 L HA -0.111 4.229 4.340 0.001 0.000 0.206 100 L C 2.776 179.552 176.870 -0.157 0.000 1.074 100 L CA 1.114 55.802 54.840 -0.253 0.000 0.745 100 L CB -1.151 40.768 42.059 -0.233 0.000 0.898 100 L HN 0.390 nan 8.230 nan 0.000 0.433 101 A N 0.502 123.229 122.820 -0.155 0.000 1.892 101 A HA -0.282 4.038 4.320 0.001 0.000 0.218 101 A C 2.555 180.135 177.584 -0.006 0.000 1.188 101 A CA 2.197 54.187 52.037 -0.079 0.000 0.631 101 A CB -0.808 18.154 19.000 -0.063 0.000 0.822 101 A HN 0.435 nan 8.150 nan 0.000 0.447 102 A N -0.212 122.628 122.820 0.032 0.000 1.883 102 A HA -0.133 4.187 4.320 0.001 0.000 0.217 102 A C 2.152 179.856 177.584 0.199 0.000 1.186 102 A CA 1.675 53.810 52.037 0.164 0.000 0.624 102 A CB -0.672 18.444 19.000 0.192 0.000 0.822 102 A HN 0.530 nan 8.150 nan 0.000 0.444 103 I N -0.302 120.333 120.570 0.109 0.000 2.179 103 I HA -0.297 3.874 4.170 0.001 0.000 0.242 103 I C 2.985 179.079 176.117 -0.038 0.000 1.088 103 I CA 1.135 62.374 61.300 -0.101 0.000 1.357 103 I CB -0.366 37.542 38.000 -0.152 0.000 1.051 103 I HN 0.367 nan 8.210 nan 0.000 0.409 104 A N -0.060 122.744 122.820 -0.026 0.000 1.877 104 A HA -0.203 4.118 4.320 0.001 0.000 0.216 104 A C 2.489 180.063 177.584 -0.017 0.000 1.186 104 A CA 2.171 54.198 52.037 -0.018 0.000 0.620 104 A CB -0.809 18.165 19.000 -0.043 0.000 0.822 104 A HN 0.366 nan 8.150 nan 0.000 0.443 105 S N -0.585 115.111 115.700 -0.006 0.000 2.370 105 S HA -0.181 4.289 4.470 0.001 0.000 0.226 105 S C 1.870 176.471 174.600 0.002 0.000 1.033 105 S CA 1.601 59.800 58.200 -0.002 0.000 1.011 105 S CB -0.457 62.762 63.200 0.032 0.000 0.852 105 S HN 0.515 nan 8.310 nan 0.000 0.457 106 L N 2.053 123.284 121.223 0.012 0.000 2.131 106 L HA -0.111 4.230 4.340 0.001 0.000 0.210 106 L C 2.481 179.324 176.870 -0.046 0.000 1.092 106 L CA 2.148 56.981 54.840 -0.012 0.000 0.759 106 L CB -1.264 40.739 42.059 -0.093 0.000 0.903 106 L HN 0.500 nan 8.230 nan 0.000 0.435 107 T N -3.117 111.412 114.554 -0.041 0.000 2.929 107 T HA -0.188 4.163 4.350 0.001 0.000 0.271 107 T C 1.791 176.454 174.700 -0.061 0.000 1.085 107 T CA 1.489 63.556 62.100 -0.055 0.000 1.125 107 T CB -0.750 68.117 68.868 -0.002 0.000 0.874 107 T HN 0.426 nan 8.240 nan 0.000 0.494 108 L N 0.695 121.888 121.223 -0.051 0.000 2.552 108 L HA 0.234 4.575 4.340 0.001 0.000 0.227 108 L C 1.106 177.944 176.870 -0.052 0.000 1.146 108 L CA 0.182 54.989 54.840 -0.054 0.000 0.858 108 L CB -0.387 41.636 42.059 -0.060 0.000 0.969 108 L HN 0.240 nan 8.230 nan 0.000 0.451 109 N N 0.129 118.800 118.700 -0.049 0.000 2.696 109 N HA 0.074 4.815 4.740 0.001 0.000 0.246 109 N C 0.723 176.199 175.510 -0.057 0.000 1.057 109 N CA -0.185 52.839 53.050 -0.044 0.000 0.867 109 N CB 0.959 39.431 38.487 -0.026 0.000 1.141 109 N HN -0.030 nan 8.380 nan 0.000 0.517 110 Q N 1.747 121.507 119.800 -0.068 0.000 2.170 110 Q HA -0.165 4.175 4.340 0.001 0.000 0.203 110 Q C 1.325 177.274 176.000 -0.084 0.000 0.976 110 Q CA 1.235 56.986 55.803 -0.087 0.000 0.858 110 Q CB 0.121 28.809 28.738 -0.084 0.000 0.907 110 Q HN 0.659 nan 8.270 nan 0.000 0.433 111 K N 0.407 120.767 120.400 -0.067 0.000 2.025 111 K HA -0.089 4.231 4.320 0.001 0.000 0.207 111 K C 2.046 178.606 176.600 -0.067 0.000 1.049 111 K CA 1.196 57.442 56.287 -0.067 0.000 0.933 111 K CB -0.127 32.340 32.500 -0.055 0.000 0.714 111 K HN 0.101 nan 8.250 nan 0.000 0.438 112 A N 1.332 124.127 122.820 -0.042 0.000 1.883 112 A HA -0.181 4.140 4.320 0.001 0.000 0.217 112 A C 2.113 179.683 177.584 -0.023 0.000 1.186 112 A CA 1.667 53.699 52.037 -0.009 0.000 0.624 112 A CB -0.772 18.246 19.000 0.030 0.000 0.822 112 A HN 0.425 nan 8.150 nan 0.000 0.444 113 L N -0.311 120.876 121.223 -0.060 0.000 2.046 113 L HA -0.067 4.273 4.340 0.001 0.000 0.208 113 L C 2.646 179.449 176.870 -0.111 0.000 1.077 113 L CA 2.128 56.908 54.840 -0.100 0.000 0.747 113 L CB -0.588 41.378 42.059 -0.156 0.000 0.896 113 L HN 0.341 nan 8.230 nan 0.000 0.432 114 A N -0.762 121.985 122.820 -0.121 0.000 2.070 114 A HA -0.234 4.087 4.320 0.001 0.000 0.220 114 A C 2.478 179.966 177.584 -0.160 0.000 1.159 114 A CA 1.702 53.660 52.037 -0.132 0.000 0.656 114 A CB -0.633 18.294 19.000 -0.122 0.000 0.800 114 A HN 0.506 nan 8.150 nan 0.000 0.453 115 R N -0.891 119.503 120.500 -0.176 0.000 2.153 115 R HA 0.021 4.362 4.340 0.001 0.000 0.218 115 R C 1.558 177.694 176.300 -0.273 0.000 1.072 115 R CA 1.166 57.081 56.100 -0.308 0.000 0.990 115 R CB -0.037 30.021 30.300 -0.402 0.000 0.889 115 R HN 0.361 nan 8.270 nan 0.000 0.452 116 V N 0.526 120.398 119.914 -0.069 0.000 2.599 116 V HA 0.059 4.180 4.120 0.001 0.000 0.245 116 V C 0.983 177.108 176.094 0.051 0.000 1.046 116 V CA 0.883 63.234 62.300 0.085 0.000 1.065 116 V CB 0.169 32.118 31.823 0.211 0.000 0.703 116 V HN 0.143 nan 8.190 nan 0.000 0.464 117 I N 1.918 122.485 120.570 -0.005 0.000 2.371 117 I HA 0.343 4.514 4.170 0.001 0.000 0.282 117 I C -2.562 173.438 176.117 -0.195 0.000 1.031 117 I CA -1.975 59.307 61.300 -0.031 0.000 1.180 117 I CB 1.226 39.285 38.000 0.097 0.000 1.336 117 I HN 0.062 nan 8.210 nan 0.000 0.467 118 P HA -0.065 nan 4.420 nan 0.000 0.267 118 P C 0.432 177.586 177.300 -0.243 0.000 1.195 118 P CA 0.190 63.055 63.100 -0.391 0.000 0.773 118 P CB 0.794 32.034 31.700 -0.768 0.000 0.837 119 Q N 1.072 120.778 119.800 -0.156 0.000 2.096 119 Q HA -0.107 4.233 4.340 0.001 0.000 0.197 119 Q C 0.102 176.065 176.000 -0.061 0.000 0.964 119 Q CA 1.239 56.987 55.803 -0.092 0.000 0.838 119 Q CB 0.143 28.837 28.738 -0.074 0.000 0.906 119 Q HN 0.462 nan 8.270 nan 0.000 0.444 120 D N 1.030 121.392 120.400 -0.064 0.000 2.738 120 D HA 0.108 4.749 4.640 0.001 0.000 0.246 120 D C -0.665 175.594 176.300 -0.069 0.000 1.270 120 D CA 0.106 54.083 54.000 -0.039 0.000 0.833 120 D CB 0.352 41.140 40.800 -0.020 0.000 1.040 120 D HN 0.290 nan 8.370 nan 0.000 0.487 121 Q N 0.692 120.399 119.800 -0.154 0.000 2.243 121 Q HA 0.466 4.807 4.340 0.001 0.000 0.252 121 Q C 0.267 176.138 176.000 -0.215 0.000 0.909 121 Q CA -0.253 55.356 55.803 -0.324 0.000 0.922 121 Q CB 2.079 30.400 28.738 -0.695 0.000 1.215 121 Q HN 0.145 nan 8.270 nan 0.000 0.427 122 S N 0.815 116.434 115.700 -0.136 0.000 2.683 122 S HA 0.404 4.875 4.470 0.001 0.000 0.269 122 S C -1.043 173.539 174.600 -0.030 0.000 1.165 122 S CA -0.763 57.493 58.200 0.093 0.000 0.840 122 S CB 0.154 63.443 63.200 0.148 0.000 1.169 122 S HN 0.495 nan 8.310 nan 0.000 0.490 123 F N 1.299 121.328 119.950 0.131 0.000 2.641 123 F HA 0.446 4.973 4.527 0.001 0.000 0.302 123 F C 1.707 177.488 175.800 -0.031 0.000 1.098 123 F CA 0.025 57.958 58.000 -0.112 0.000 1.318 123 F CB 0.297 39.137 39.000 -0.266 0.000 1.035 123 F HN 0.819 nan 8.300 nan 0.000 0.551 124 G N 0.796 109.702 108.800 0.178 0.000 2.546 124 G HA2 0.226 4.187 3.960 0.001 0.000 0.239 124 G HA3 0.226 4.187 3.960 0.001 0.000 0.239 124 G C -2.199 172.774 174.900 0.122 0.000 1.476 124 G CA -0.819 44.361 45.100 0.132 0.000 1.064 124 G HN -0.124 nan 8.290 nan 0.000 0.561 125 P HA 0.176 nan 4.420 nan 0.000 0.264 125 P C 0.599 177.916 177.300 0.028 0.000 1.193 125 P CA 1.331 64.463 63.100 0.054 0.000 0.763 125 P CB 0.829 32.548 31.700 0.031 0.000 0.810 126 G N 1.869 110.674 108.800 0.008 0.000 2.175 126 G HA2 -0.282 3.678 3.960 0.001 0.000 0.244 126 G HA3 -0.282 3.678 3.960 0.001 0.000 0.244 126 G C -0.154 174.699 174.900 -0.078 0.000 0.982 126 G CA -0.080 44.987 45.100 -0.056 0.000 0.641 126 G HN 0.636 nan 8.290 nan 0.000 0.527 127 Y N 0.978 121.206 120.300 -0.120 0.000 2.442 127 Y HA 0.458 5.008 4.550 0.001 0.000 0.330 127 Y C 0.647 176.471 175.900 -0.127 0.000 1.129 127 Y CA 0.109 58.111 58.100 -0.163 0.000 1.365 127 Y CB 1.132 39.562 38.460 -0.051 0.000 1.233 127 Y HN 0.720 nan 8.280 nan 0.000 0.529 128 A N 4.235 126.486 122.820 -0.949 0.000 2.524 128 A HA 0.460 4.781 4.320 0.001 0.000 0.267 128 A C 0.998 178.176 177.584 -0.677 0.000 0.881 128 A CA 0.031 51.630 52.037 -0.730 0.000 1.077 128 A CB -0.830 17.920 19.000 -0.417 0.000 1.220 128 A HN 1.816 nan 8.150 nan 0.000 0.488 129 G N -0.023 108.103 108.800 -1.122 0.000 2.179 129 G HA2 -0.229 3.731 3.960 0.001 0.000 0.257 129 G HA3 -0.229 3.731 3.960 0.001 0.000 0.257 129 G C 0.069 175.025 174.900 0.094 0.000 1.010 129 G CA 0.787 45.742 45.100 -0.241 0.000 0.736 129 G HN 1.303 nan 8.290 nan 0.000 0.513 130 I N -0.647 119.835 120.570 -0.148 0.000 2.499 130 I HA 0.773 4.943 4.170 0.001 0.000 0.288 130 I C -0.722 175.314 176.117 -0.136 0.000 1.048 130 I CA -1.421 59.907 61.300 0.048 0.000 1.062 130 I CB 0.957 38.821 38.000 -0.225 0.000 1.238 130 I HN -0.070 nan 8.210 nan 0.000 0.426 131 F N 5.147 125.306 119.950 0.349 0.000 2.631 131 F HA 0.638 5.165 4.527 0.001 0.000 0.328 131 F C -0.354 175.530 175.800 0.140 0.000 1.067 131 F CA -0.434 57.681 58.000 0.191 0.000 0.969 131 F CB 1.812 40.896 39.000 0.139 0.000 1.332 131 F HN 0.521 nan 8.300 nan 0.000 0.490 132 H N -1.463 117.393 119.070 -0.357 0.000 2.996 132 H HA 0.731 5.288 4.556 0.001 0.000 0.368 132 H C -2.089 172.851 175.328 -0.648 0.000 1.185 132 H CA -1.081 54.740 56.048 -0.380 0.000 1.160 132 H CB 1.894 31.314 29.762 -0.570 0.000 1.820 132 H HN 0.405 nan 8.280 nan 0.000 0.547 133 F N 0.099 119.954 119.950 -0.158 0.000 2.640 133 F HA 0.458 4.985 4.527 0.001 0.000 0.324 133 F C -0.554 174.949 175.800 -0.495 0.000 1.077 133 F CA -0.876 56.920 58.000 -0.340 0.000 0.965 133 F CB 2.706 41.556 39.000 -0.251 0.000 1.351 133 F HN 0.540 nan 8.300 nan 0.000 0.487 134 Q N 1.491 121.080 119.800 -0.353 0.000 2.292 134 Q HA 0.521 4.861 4.340 0.001 0.000 0.270 134 Q C -1.824 174.234 176.000 0.098 0.000 1.024 134 Q CA -0.498 55.224 55.803 -0.134 0.000 0.768 134 Q CB 2.741 31.483 28.738 0.006 0.000 1.250 134 Q HN 0.505 nan 8.270 nan 0.000 0.447 135 F N 0.997 121.305 119.950 0.597 0.000 2.520 135 F HA 0.378 4.906 4.527 0.001 0.000 0.322 135 F C -0.254 175.625 175.800 0.132 0.000 1.103 135 F CA -1.013 57.258 58.000 0.453 0.000 0.926 135 F CB 1.671 40.829 39.000 0.263 0.000 1.154 135 F HN 0.501 nan 8.300 nan 0.000 0.453 136 W N 5.265 126.319 121.300 -0.408 0.000 2.419 136 W HA 0.228 4.889 4.660 0.001 0.000 0.312 136 W C -1.158 175.110 176.519 -0.419 0.000 1.323 136 W CA -0.346 56.458 57.345 -0.902 0.000 1.293 136 W CB 0.979 29.712 29.460 -1.213 0.000 1.324 136 W HN 0.471 nan 8.180 nan 0.000 0.512 137 Q N 6.069 125.324 119.800 -0.908 0.000 2.607 137 Q HA 0.123 4.464 4.340 0.001 0.000 0.247 137 Q C -0.072 175.369 176.000 -0.932 0.000 1.033 137 Q CA -0.409 54.919 55.803 -0.792 0.000 0.769 137 Q CB 0.747 29.262 28.738 -0.373 0.000 1.169 137 Q HN 0.895 nan 8.270 nan 0.000 0.508 138 H N -0.271 118.288 119.070 -0.851 0.000 4.844 138 H HA -0.287 4.269 4.556 0.001 0.000 0.071 138 H C 0.818 175.846 175.328 -0.500 0.000 0.589 138 H CA 2.377 58.159 56.048 -0.444 0.000 1.006 138 H CB -1.028 28.575 29.762 -0.263 0.000 0.443 138 H HN 0.610 nan 8.280 nan 0.000 0.779 139 S N -0.694 114.548 115.700 -0.764 0.000 2.800 139 S HA 0.374 4.844 4.470 0.001 0.000 0.266 139 S C -0.069 174.114 174.600 -0.696 0.000 1.029 139 S CA -0.135 57.766 58.200 -0.499 0.000 1.302 139 S CB 1.771 64.894 63.200 -0.129 0.000 1.212 139 S HN 0.441 nan 8.310 nan 0.000 0.683 140 E N 0.040 119.593 120.200 -1.079 0.000 2.366 140 E HA 0.381 4.731 4.350 0.001 0.000 0.278 140 E C -1.821 174.439 176.600 -0.567 0.000 0.923 140 E CA -0.746 55.346 56.400 -0.513 0.000 0.761 140 E CB 1.432 31.024 29.700 -0.180 0.000 1.231 140 E HN 0.326 nan 8.360 nan 0.000 0.443 141 W N 3.244 124.562 121.300 0.030 0.000 2.253 141 W HA 0.219 4.879 4.660 0.001 0.000 0.322 141 W C -0.163 176.388 176.519 0.053 0.000 1.342 141 W CA -0.179 57.252 57.345 0.143 0.000 1.218 141 W CB 0.330 29.926 29.460 0.227 0.000 1.205 141 W HN 0.178 nan 8.180 nan 0.000 0.551 142 L N 3.592 124.972 121.223 0.262 0.000 2.322 142 L HA 0.311 4.652 4.340 0.001 0.000 0.279 142 L C 0.096 177.089 176.870 0.205 0.000 1.036 142 L CA -0.808 54.147 54.840 0.192 0.000 0.807 142 L CB 1.171 43.321 42.059 0.152 0.000 1.226 142 L HN 0.363 nan 8.230 nan 0.000 0.433 143 D N 2.434 122.932 120.400 0.163 0.000 2.329 143 D HA 0.306 4.947 4.640 0.001 0.000 0.232 143 D C -1.246 175.153 176.300 0.164 0.000 1.088 143 D CA -0.316 53.770 54.000 0.143 0.000 0.835 143 D CB 1.990 42.878 40.800 0.147 0.000 1.078 143 D HN 0.114 nan 8.370 nan 0.000 0.495 144 V N 5.128 125.139 119.914 0.162 0.000 2.334 144 V HA 0.192 4.312 4.120 0.001 0.000 0.281 144 V C 0.456 176.730 176.094 0.300 0.000 1.016 144 V CA -0.839 61.605 62.300 0.239 0.000 0.832 144 V CB 1.361 33.373 31.823 0.315 0.000 0.999 144 V HN 0.459 nan 8.190 nan 0.000 0.439 145 V N 5.475 125.589 119.914 0.333 0.000 2.539 145 V HA 0.810 4.930 4.120 0.001 0.000 0.292 145 V C -0.293 176.099 176.094 0.496 0.000 1.045 145 V CA -0.411 62.131 62.300 0.404 0.000 0.945 145 V CB 1.388 33.416 31.823 0.342 0.000 0.993 145 V HN 0.787 nan 8.190 nan 0.000 0.464 146 I N 1.121 122.031 120.570 0.566 0.000 2.934 146 I HA 0.818 4.989 4.170 0.001 0.000 0.306 146 I C -0.669 175.858 176.117 0.682 0.000 1.110 146 I CA -0.964 60.691 61.300 0.592 0.000 1.019 146 I CB 2.118 40.450 38.000 0.554 0.000 1.227 146 I HN 0.782 nan 8.210 nan 0.000 0.434 147 D N 0.948 121.674 120.400 0.545 0.000 2.312 147 D HA 0.183 4.824 4.640 0.001 0.000 0.248 147 D C -0.051 176.563 176.300 0.524 0.000 1.086 147 D CA -0.497 53.791 54.000 0.480 0.000 0.948 147 D CB 0.930 41.823 40.800 0.155 0.000 1.162 147 D HN 0.682 nan 8.370 nan 0.000 0.446 148 D N -0.212 120.518 120.400 0.551 0.000 2.336 148 D HA -0.013 4.627 4.640 0.001 0.000 0.228 148 D C -0.102 176.471 176.300 0.456 0.000 1.120 148 D CA -0.443 53.893 54.000 0.560 0.000 0.839 148 D CB -0.300 40.919 40.800 0.697 0.000 0.932 148 D HN 0.257 nan 8.370 nan 0.000 0.509 149 R N 0.437 121.199 120.500 0.437 0.000 2.421 149 R HA 0.392 4.733 4.340 0.001 0.000 0.305 149 R C -0.219 176.459 176.300 0.629 0.000 1.039 149 R CA 0.009 56.391 56.100 0.469 0.000 1.003 149 R CB 0.654 31.207 30.300 0.422 0.000 0.959 149 R HN 0.148 nan 8.270 nan 0.000 0.427 150 L N 5.374 126.860 121.223 0.439 0.000 2.341 150 L HA 0.481 4.821 4.340 0.001 0.000 0.267 150 L C -2.234 174.544 176.870 -0.153 0.000 1.009 150 L CA -2.710 52.286 54.840 0.261 0.000 0.819 150 L CB 2.209 44.417 42.059 0.249 0.000 1.323 150 L HN 0.348 nan 8.230 nan 0.000 0.425 151 P HA 0.121 nan 4.420 nan 0.000 0.271 151 P C -0.884 176.008 177.300 -0.682 0.000 1.226 151 P CA -0.143 62.346 63.100 -1.019 0.000 0.765 151 P CB 0.691 31.618 31.700 -1.289 0.000 0.835 152 T N 0.815 115.072 114.554 -0.495 0.000 2.903 152 T HA 0.732 5.083 4.350 0.001 0.000 0.299 152 T C -1.460 173.176 174.700 -0.107 0.000 1.093 152 T CA -0.864 61.053 62.100 -0.305 0.000 1.002 152 T CB 1.168 69.962 68.868 -0.124 0.000 1.127 152 T HN 0.236 nan 8.240 nan 0.000 0.488 153 F N 2.296 122.106 119.950 -0.235 0.000 2.561 153 F HA 0.582 5.110 4.527 0.001 0.000 0.313 153 F C 0.499 176.258 175.800 -0.068 0.000 1.126 153 F CA -1.100 56.874 58.000 -0.044 0.000 0.918 153 F CB 1.443 40.508 39.000 0.109 0.000 1.199 153 F HN 0.892 nan 8.300 nan 0.000 0.444 154 R N 4.195 124.341 120.500 -0.591 0.000 3.531 154 R HA -0.215 4.125 4.340 0.001 0.000 0.280 154 R C -0.656 175.473 176.300 -0.284 0.000 1.130 154 R CA 1.004 56.763 56.100 -0.568 0.000 0.757 154 R CB -1.887 27.912 30.300 -0.836 0.000 1.218 154 R HN 0.918 nan 8.270 nan 0.000 0.454 155 D N -2.169 118.134 120.400 -0.162 0.000 3.077 155 D HA -0.182 4.459 4.640 0.001 0.000 0.212 155 D C -0.191 176.042 176.300 -0.113 0.000 1.125 155 D CA 1.556 55.495 54.000 -0.102 0.000 0.970 155 D CB -0.501 40.244 40.800 -0.092 0.000 1.110 155 D HN 0.542 nan 8.370 nan 0.000 0.419 156 R N -0.251 120.154 120.500 -0.158 0.000 2.686 156 R HA 0.574 4.915 4.340 0.001 0.000 0.286 156 R C 0.179 176.351 176.300 -0.212 0.000 0.969 156 R CA -0.935 55.057 56.100 -0.180 0.000 0.898 156 R CB 1.712 31.873 30.300 -0.233 0.000 1.183 156 R HN -0.054 nan 8.270 nan 0.000 0.456 157 L N 2.267 123.368 121.223 -0.203 0.000 2.525 157 L HA -0.054 4.287 4.340 0.001 0.000 0.278 157 L C 1.354 177.971 176.870 -0.420 0.000 1.218 157 L CA 0.044 54.726 54.840 -0.262 0.000 0.878 157 L CB 0.617 42.589 42.059 -0.144 0.000 1.127 157 L HN 0.532 nan 8.230 nan 0.000 0.492 158 V N 3.031 122.576 119.914 -0.615 0.000 2.575 158 V HA -0.064 4.057 4.120 0.001 0.000 0.242 158 V C 0.948 176.658 176.094 -0.641 0.000 1.045 158 V CA 1.078 62.906 62.300 -0.786 0.000 1.065 158 V CB -0.088 30.887 31.823 -1.414 0.000 0.717 158 V HN 0.480 nan 8.190 nan 0.000 0.467 159 F N -1.130 118.656 119.950 -0.274 0.000 2.589 159 F HA 0.449 4.977 4.527 0.001 0.000 0.207 159 F C 0.302 176.129 175.800 0.045 0.000 1.028 159 F CA -1.103 56.816 58.000 -0.134 0.000 1.009 159 F CB -0.805 38.065 39.000 -0.217 0.000 2.173 159 F HN -0.155 nan 8.300 nan 0.000 0.637 160 L N 2.021 123.411 121.223 0.279 0.000 2.453 160 L HA 0.199 4.540 4.340 0.001 0.000 0.272 160 L C -0.316 176.612 176.870 0.097 0.000 1.182 160 L CA 0.118 55.031 54.840 0.122 0.000 0.858 160 L CB -0.511 41.532 42.059 -0.027 0.000 1.120 160 L HN 0.550 nan 8.230 nan 0.000 0.474 161 H N 1.715 120.686 119.070 -0.165 0.000 3.038 161 H HA 0.322 4.879 4.556 0.001 0.000 0.362 161 H C -0.836 174.335 175.328 -0.261 0.000 1.167 161 H CA -0.648 55.260 56.048 -0.234 0.000 1.197 161 H CB 0.700 30.347 29.762 -0.191 0.000 1.840 161 H HN 0.614 nan 8.280 nan 0.000 0.540 162 S N 0.387 115.887 115.700 -0.335 0.000 2.584 162 S HA 0.309 4.779 4.470 0.001 0.000 0.270 162 S C 1.531 176.020 174.600 -0.184 0.000 1.346 162 S CA 0.218 58.234 58.200 -0.306 0.000 1.018 162 S CB 0.434 63.462 63.200 -0.287 0.000 0.899 162 S HN 0.830 nan 8.310 nan 0.000 0.542 163 A N 2.177 124.912 122.820 -0.141 0.000 2.019 163 A HA -0.003 4.318 4.320 0.001 0.000 0.219 163 A C 1.014 178.582 177.584 -0.026 0.000 1.164 163 A CA 1.296 53.300 52.037 -0.055 0.000 0.644 163 A CB -0.497 18.477 19.000 -0.043 0.000 0.805 163 A HN 0.868 nan 8.150 nan 0.000 0.449 164 D N -0.802 119.556 120.400 -0.070 0.000 2.316 164 D HA 0.207 4.848 4.640 0.001 0.000 0.245 164 D C 0.909 177.117 176.300 -0.154 0.000 1.171 164 D CA -0.309 53.629 54.000 -0.103 0.000 0.856 164 D CB 0.600 41.336 40.800 -0.106 0.000 1.090 164 D HN 0.616 nan 8.370 nan 0.000 0.476 165 H N 2.291 121.291 119.070 -0.116 0.000 2.521 165 H HA 0.051 4.607 4.556 0.001 0.000 0.286 165 H C 0.495 175.690 175.328 -0.222 0.000 1.034 165 H CA 0.719 56.664 56.048 -0.172 0.000 1.278 165 H CB 0.074 29.778 29.762 -0.097 0.000 1.386 165 H HN 0.189 nan 8.280 nan 0.000 0.567 166 N N 0.591 119.082 118.700 -0.349 0.000 2.383 166 N HA -0.017 4.724 4.740 0.001 0.000 0.192 166 N C -0.238 175.238 175.510 -0.056 0.000 1.141 166 N CA 0.256 53.237 53.050 -0.115 0.000 0.851 166 N CB 0.473 38.883 38.487 -0.128 0.000 0.976 166 N HN 0.648 nan 8.380 nan 0.000 0.465 167 E N -0.384 119.642 120.200 -0.289 0.000 2.151 167 E HA 0.224 4.574 4.350 0.001 0.000 0.275 167 E C -0.567 175.752 176.600 -0.469 0.000 0.936 167 E CA -0.352 55.950 56.400 -0.164 0.000 0.777 167 E CB 0.661 30.315 29.700 -0.076 0.000 1.108 167 E HN -0.034 nan 8.360 nan 0.000 0.401 168 F N 3.594 123.562 119.950 0.029 0.000 2.746 168 F HA 0.109 4.637 4.527 0.001 0.000 0.320 168 F C 1.443 177.178 175.800 -0.108 0.000 1.097 168 F CA -0.754 57.252 58.000 0.010 0.000 1.195 168 F CB 0.221 39.330 39.000 0.182 0.000 1.056 168 F HN 0.643 nan 8.300 nan 0.000 0.562 169 W N 0.926 122.058 121.300 -0.281 0.000 2.338 169 W HA -0.193 4.468 4.660 0.001 0.000 0.304 169 W C 1.868 178.260 176.519 -0.212 0.000 1.212 169 W CA 1.609 58.555 57.345 -0.666 0.000 1.264 169 W CB -1.482 27.282 29.460 -1.161 0.000 1.142 169 W HN 0.171 nan 8.180 nan 0.000 0.512 170 S N 1.518 116.512 115.700 -1.175 0.000 2.395 170 S HA 0.097 4.568 4.470 0.001 0.000 0.225 170 S C 2.234 176.538 174.600 -0.493 0.000 1.027 170 S CA 1.208 58.685 58.200 -1.205 0.000 0.965 170 S CB -0.883 61.350 63.200 -1.611 0.000 0.812 170 S HN 0.292 nan 8.310 nan 0.000 0.482 171 A N 2.068 124.709 122.820 -0.298 0.000 1.933 171 A HA 0.126 4.446 4.320 0.001 0.000 0.218 171 A C 2.303 179.949 177.584 0.104 0.000 1.175 171 A CA 1.430 53.455 52.037 -0.020 0.000 0.628 171 A CB -0.855 18.205 19.000 0.099 0.000 0.814 171 A HN 0.544 nan 8.150 nan 0.000 0.444 172 L N -1.063 120.239 121.223 0.132 0.000 2.027 172 L HA -0.113 4.228 4.340 0.001 0.000 0.206 172 L C 2.587 179.466 176.870 0.016 0.000 1.074 172 L CA 1.216 56.219 54.840 0.272 0.000 0.745 172 L CB -0.502 41.837 42.059 0.467 0.000 0.898 172 L HN 0.489 nan 8.230 nan 0.000 0.433 173 L N -0.009 120.969 121.223 -0.408 0.000 2.013 173 L HA -0.297 4.044 4.340 0.001 0.000 0.212 173 L C 2.674 179.370 176.870 -0.291 0.000 1.073 173 L CA 1.762 56.040 54.840 -0.936 0.000 0.753 173 L CB -0.261 41.443 42.059 -0.593 0.000 0.890 173 L HN 0.349 nan 8.230 nan 0.000 0.432 174 E N -0.085 120.015 120.200 -0.166 0.000 2.110 174 E HA -0.328 4.023 4.350 0.001 0.000 0.193 174 E C 2.196 178.755 176.600 -0.069 0.000 0.988 174 E CA 1.614 57.967 56.400 -0.079 0.000 0.804 174 E CB -0.029 29.650 29.700 -0.036 0.000 0.745 174 E HN 0.465 nan 8.360 nan 0.000 0.458 175 K N 0.255 120.673 120.400 0.031 0.000 1.985 175 K HA -0.161 4.160 4.320 0.001 0.000 0.210 175 K C 2.089 178.634 176.600 -0.091 0.000 1.047 175 K CA 1.431 57.717 56.287 -0.001 0.000 0.932 175 K CB -0.288 32.425 32.500 0.355 0.000 0.716 175 K HN 0.131 nan 8.250 nan 0.000 0.439 176 A N -0.021 122.848 122.820 0.082 0.000 1.978 176 A HA -0.203 4.117 4.320 0.001 0.000 0.220 176 A C 2.050 179.701 177.584 0.112 0.000 1.170 176 A CA 1.488 53.632 52.037 0.177 0.000 0.636 176 A CB -0.804 18.469 19.000 0.454 0.000 0.810 176 A HN 0.627 nan 8.150 nan 0.000 0.448 177 Y N -0.091 120.142 120.300 -0.113 0.000 2.337 177 Y HA 0.129 4.679 4.550 0.001 0.000 0.293 177 Y C 2.607 178.305 175.900 -0.338 0.000 1.123 177 Y CA 0.705 58.594 58.100 -0.352 0.000 1.201 177 Y CB -0.245 37.970 38.460 -0.407 0.000 1.011 177 Y HN 0.319 nan 8.280 nan 0.000 0.545 178 A N 0.417 123.070 122.820 -0.278 0.000 1.902 178 A HA -0.238 4.082 4.320 0.001 0.000 0.217 178 A C 2.239 179.522 177.584 -0.502 0.000 1.181 178 A CA 1.969 53.770 52.037 -0.394 0.000 0.623 178 A CB -0.732 17.818 19.000 -0.749 0.000 0.818 178 A HN 0.480 nan 8.150 nan 0.000 0.443 179 K N -0.693 119.198 120.400 -0.848 0.000 2.044 179 K HA -0.194 4.127 4.320 0.001 0.000 0.210 179 K C 1.892 178.224 176.600 -0.447 0.000 1.049 179 K CA 1.764 57.390 56.287 -1.103 0.000 0.927 179 K CB -0.378 31.530 32.500 -0.986 0.000 0.713 179 K HN 0.322 nan 8.250 nan 0.000 0.443 180 L N 1.744 122.759 121.223 -0.348 0.000 2.129 180 L HA -0.193 4.147 4.340 0.001 0.000 0.212 180 L C 1.253 177.957 176.870 -0.278 0.000 1.087 180 L CA 1.812 56.476 54.840 -0.293 0.000 0.757 180 L CB -0.288 41.482 42.059 -0.482 0.000 0.896 180 L HN 0.304 nan 8.230 nan 0.000 0.434 181 N N -1.400 117.129 118.700 -0.285 0.000 2.236 181 N HA 0.152 4.892 4.740 0.001 0.000 0.196 181 N C 1.236 176.729 175.510 -0.028 0.000 1.114 181 N CA 0.813 53.772 53.050 -0.151 0.000 0.859 181 N CB 1.001 39.416 38.487 -0.119 0.000 0.982 181 N HN 0.513 nan 8.380 nan 0.000 0.493 182 G N 1.086 109.878 108.800 -0.013 0.000 2.259 182 G HA2 -0.248 3.712 3.960 0.001 0.000 0.217 182 G HA3 -0.248 3.712 3.960 0.001 0.000 0.217 182 G C 0.023 175.114 174.900 0.319 0.000 1.001 182 G CA 0.292 45.471 45.100 0.131 0.000 0.627 182 G HN 0.621 nan 8.290 nan 0.000 0.501 183 S N -2.071 113.798 115.700 0.281 0.000 2.633 183 S HA 0.543 5.013 4.470 0.001 0.000 0.271 183 S C 0.186 174.878 174.600 0.153 0.000 1.112 183 S CA 0.123 58.525 58.200 0.337 0.000 0.828 183 S CB 0.414 63.806 63.200 0.321 0.000 1.086 183 S HN 0.471 nan 8.310 nan 0.000 0.461 184 Y N 0.737 121.060 120.300 0.038 0.000 2.293 184 Y HA 0.039 4.590 4.550 0.001 0.000 0.291 184 Y C 2.636 178.401 175.900 -0.224 0.000 1.137 184 Y CA 1.886 59.847 58.100 -0.231 0.000 1.202 184 Y CB -0.009 38.088 38.460 -0.605 0.000 0.990 184 Y HN 0.922 nan 8.280 nan 0.000 0.537 185 E N 0.146 120.319 120.200 -0.045 0.000 2.110 185 E HA -0.232 4.118 4.350 0.001 0.000 0.193 185 E C 2.335 179.000 176.600 0.109 0.000 0.988 185 E CA 0.842 57.256 56.400 0.024 0.000 0.804 185 E CB -0.173 29.460 29.700 -0.111 0.000 0.745 185 E HN 0.441 nan 8.360 nan 0.000 0.458 186 A N 0.958 123.901 122.820 0.204 0.000 2.042 186 A HA -0.187 4.134 4.320 0.001 0.000 0.222 186 A C 2.022 179.752 177.584 0.244 0.000 1.167 186 A CA 1.195 53.391 52.037 0.264 0.000 0.649 186 A CB -0.608 18.523 19.000 0.219 0.000 0.809 186 A HN 0.328 nan 8.150 nan 0.000 0.457 187 L N -0.862 120.501 121.223 0.234 0.000 2.599 187 L HA 0.033 4.373 4.340 0.001 0.000 0.230 187 L C 1.181 178.311 176.870 0.432 0.000 1.141 187 L CA 0.201 55.266 54.840 0.376 0.000 0.877 187 L CB -0.324 41.826 42.059 0.152 0.000 1.009 187 L HN 0.342 nan 8.230 nan 0.000 0.447 188 K N 1.782 122.356 120.400 0.291 0.000 2.292 188 K HA 0.373 4.694 4.320 0.001 0.000 0.290 188 K C 0.117 176.865 176.600 0.248 0.000 1.083 188 K CA 0.434 56.882 56.287 0.268 0.000 0.918 188 K CB 0.310 32.928 32.500 0.196 0.000 1.089 188 K HN 0.126 nan 8.250 nan 0.000 0.473 189 G N 1.957 110.944 108.800 0.312 0.000 2.862 189 G HA2 0.165 4.126 3.960 0.001 0.000 0.686 189 G HA3 0.165 4.126 3.960 0.001 0.000 0.686 189 G C -0.163 174.546 174.900 -0.318 0.000 1.134 189 G CA -0.630 44.512 45.100 0.070 0.000 0.791 189 G HN 1.077 nan 8.290 nan 0.000 0.592 190 G N -0.811 107.414 108.800 -0.958 0.000 2.340 190 G HA2 0.775 4.736 3.960 0.001 0.000 0.299 190 G HA3 0.775 4.736 3.960 0.001 0.000 0.299 190 G C -0.620 173.504 174.900 -1.294 0.000 1.291 190 G CA 0.587 44.598 45.100 -1.815 0.000 0.841 190 G HN 2.084 nan 8.290 nan 0.000 0.500 191 S N -0.725 114.339 115.700 -1.060 0.000 2.449 191 S HA 0.611 5.082 4.470 0.001 0.000 0.310 191 S C 1.296 175.849 174.600 -0.078 0.000 1.096 191 S CA 0.679 58.633 58.200 -0.410 0.000 1.095 191 S CB 1.247 64.276 63.200 -0.285 0.000 1.007 191 S HN 1.776 nan 8.310 nan 0.000 0.474 192 A N 5.346 128.186 122.820 0.033 0.000 1.930 192 A HA 0.016 4.337 4.320 0.001 0.000 0.217 192 A C 1.929 179.581 177.584 0.113 0.000 1.175 192 A CA 1.550 53.682 52.037 0.159 0.000 0.627 192 A CB -0.944 18.140 19.000 0.139 0.000 0.815 192 A HN 1.054 nan 8.150 nan 0.000 0.443 193 I N -2.316 118.299 120.570 0.075 0.000 2.226 193 I HA -0.211 3.960 4.170 0.001 0.000 0.245 193 I C 2.142 178.278 176.117 0.032 0.000 1.100 193 I CA 2.202 63.540 61.300 0.063 0.000 1.374 193 I CB -0.671 37.366 38.000 0.062 0.000 1.057 193 I HN 0.377 nan 8.210 nan 0.000 0.413 194 E N 1.503 121.708 120.200 0.007 0.000 2.049 194 E HA -0.260 4.091 4.350 0.001 0.000 0.198 194 E C 2.343 178.944 176.600 0.002 0.000 1.007 194 E CA 1.727 58.124 56.400 -0.004 0.000 0.809 194 E CB -0.170 29.496 29.700 -0.057 0.000 0.749 194 E HN 0.658 nan 8.360 nan 0.000 0.450 195 A N 0.477 123.321 122.820 0.040 0.000 1.898 195 A HA -0.183 4.137 4.320 0.001 0.000 0.216 195 A C 2.159 179.478 177.584 -0.442 0.000 1.181 195 A CA 1.494 53.363 52.037 -0.280 0.000 0.620 195 A CB -0.454 18.368 19.000 -0.296 0.000 0.819 195 A HN 0.261 nan 8.150 nan 0.000 0.442 196 M N -0.765 118.777 119.600 -0.096 0.000 2.117 196 M HA -0.190 4.290 4.480 0.001 0.000 0.262 196 M C 2.012 178.343 176.300 0.052 0.000 1.065 196 M CA 1.787 57.118 55.300 0.051 0.000 1.114 196 M CB -0.424 32.233 32.600 0.094 0.000 1.361 196 M HN 0.502 nan 8.290 nan 0.000 0.408 197 E N 0.060 120.267 120.200 0.010 0.000 2.152 197 E HA -0.170 4.180 4.350 0.001 0.000 0.192 197 E C 1.367 177.995 176.600 0.046 0.000 0.983 197 E CA 0.880 57.293 56.400 0.021 0.000 0.818 197 E CB -0.073 29.647 29.700 0.035 0.000 0.758 197 E HN 0.464 nan 8.360 nan 0.000 0.467 198 D N -0.051 120.336 120.400 -0.023 0.000 2.224 198 D HA -0.095 4.545 4.640 0.001 0.000 0.205 198 D C 1.239 177.673 176.300 0.225 0.000 0.965 198 D CA 0.766 54.779 54.000 0.022 0.000 0.852 198 D CB -0.030 40.725 40.800 -0.075 0.000 0.947 198 D HN 0.135 nan 8.370 nan 0.000 0.494 199 F N 0.138 120.250 119.950 0.270 0.000 2.664 199 F HA 0.082 4.610 4.527 0.001 0.000 0.296 199 F C 2.293 178.337 175.800 0.407 0.000 1.125 199 F CA 0.714 58.932 58.000 0.364 0.000 1.444 199 F CB -0.465 38.677 39.000 0.237 0.000 1.114 199 F HN 0.006 nan 8.300 nan 0.000 0.576 200 T N -5.464 109.325 114.554 0.391 0.000 3.115 200 T HA 0.433 4.784 4.350 0.001 0.000 0.256 200 T C 1.807 176.522 174.700 0.025 0.000 0.970 200 T CA 0.706 62.970 62.100 0.274 0.000 1.010 200 T CB 0.310 69.262 68.868 0.140 0.000 1.151 200 T HN 0.227 nan 8.240 nan 0.000 0.479 201 G N 1.313 109.886 108.800 -0.378 0.000 2.176 201 G HA2 -0.006 3.955 3.960 0.001 0.000 0.253 201 G HA3 -0.006 3.955 3.960 0.001 0.000 0.253 201 G C 0.581 175.148 174.900 -0.556 0.000 0.979 201 G CA 0.153 44.602 45.100 -1.085 0.000 0.641 201 G HN 1.039 nan 8.290 nan 0.000 0.530 202 G N -0.885 107.776 108.800 -0.232 0.000 2.611 202 G HA2 0.644 4.604 3.960 0.001 0.000 0.273 202 G HA3 0.644 4.604 3.960 0.001 0.000 0.273 202 G C 0.428 175.285 174.900 -0.072 0.000 1.305 202 G CA 0.399 45.429 45.100 -0.118 0.000 1.010 202 G HN 1.610 nan 8.290 nan 0.000 0.509 203 V N -1.944 117.953 119.914 -0.029 0.000 2.435 203 V HA 0.793 4.914 4.120 0.001 0.000 0.290 203 V C 0.531 176.635 176.094 0.016 0.000 1.030 203 V CA -0.641 61.658 62.300 -0.002 0.000 0.881 203 V CB 0.615 32.438 31.823 0.001 0.000 0.983 203 V HN 1.142 nan 8.190 nan 0.000 0.445 204 A N 3.783 126.617 122.820 0.024 0.000 2.296 204 A HA 0.714 5.035 4.320 0.001 0.000 0.264 204 A C 0.165 177.764 177.584 0.024 0.000 1.097 204 A CA -0.335 51.725 52.037 0.038 0.000 0.811 204 A CB 0.638 19.663 19.000 0.043 0.000 1.072 204 A HN 1.100 nan 8.150 nan 0.000 0.495 205 E N -0.363 119.861 120.200 0.041 0.000 2.313 205 E HA 0.360 4.710 4.350 0.001 0.000 0.280 205 E C -1.500 175.103 176.600 0.006 0.000 0.898 205 E CA -0.319 56.070 56.400 -0.019 0.000 0.803 205 E CB 1.510 31.239 29.700 0.048 0.000 1.286 205 E HN 0.599 nan 8.360 nan 0.000 0.401 206 T N 3.834 118.325 114.554 -0.104 0.000 2.794 206 T HA 0.488 4.839 4.350 0.001 0.000 0.280 206 T C -0.863 173.698 174.700 -0.230 0.000 0.987 206 T CA -0.238 61.839 62.100 -0.038 0.000 0.993 206 T CB 0.226 69.091 68.868 -0.005 0.000 0.939 206 T HN 0.209 nan 8.240 nan 0.000 0.449 207 F N 1.826 121.767 119.950 -0.015 0.000 2.482 207 F HA 0.351 4.879 4.527 0.001 0.000 0.331 207 F C 0.797 176.499 175.800 -0.163 0.000 1.115 207 F CA -1.013 56.904 58.000 -0.139 0.000 0.955 207 F CB 1.684 40.526 39.000 -0.264 0.000 1.136 207 F HN 0.350 nan 8.300 nan 0.000 0.452 208 Q N 2.450 122.229 119.800 -0.034 0.000 2.307 208 Q HA 0.120 4.460 4.340 0.001 0.000 0.259 208 Q C 0.947 176.881 176.000 -0.109 0.000 0.998 208 Q CA -0.087 55.672 55.803 -0.072 0.000 0.923 208 Q CB 1.215 29.909 28.738 -0.073 0.000 1.196 208 Q HN 0.786 nan 8.270 nan 0.000 0.416 209 T N 2.347 116.852 114.554 -0.082 0.000 2.665 209 T HA -0.169 4.182 4.350 0.001 0.000 0.268 209 T C 1.430 176.084 174.700 -0.077 0.000 1.035 209 T CA 1.193 63.265 62.100 -0.047 0.000 1.151 209 T CB 0.106 68.929 68.868 -0.075 0.000 0.862 209 T HN 0.397 nan 8.240 nan 0.000 0.438 210 K N 1.144 121.490 120.400 -0.090 0.000 2.217 210 K HA 0.096 4.416 4.320 0.001 0.000 0.202 210 K C 0.880 177.442 176.600 -0.064 0.000 1.051 210 K CA 0.783 57.022 56.287 -0.080 0.000 0.952 210 K CB 0.097 32.549 32.500 -0.080 0.000 0.736 210 K HN 0.488 nan 8.250 nan 0.000 0.453 211 E N 0.480 120.636 120.200 -0.073 0.000 3.786 211 E HA 0.317 4.667 4.350 0.001 0.000 0.215 211 E C -1.089 175.463 176.600 -0.080 0.000 1.188 211 E CA -0.328 56.036 56.400 -0.060 0.000 1.248 211 E CB 1.144 30.815 29.700 -0.047 0.000 1.260 211 E HN 0.111 nan 8.360 nan 0.000 0.426 212 A N 1.847 124.597 122.820 -0.118 0.000 2.299 212 A HA 0.733 5.053 4.320 0.001 0.000 0.332 212 A C -2.301 175.241 177.584 -0.069 0.000 1.131 212 A CA -1.428 50.483 52.037 -0.210 0.000 0.844 212 A CB 0.295 18.884 19.000 -0.684 0.000 1.251 212 A HN 0.131 nan 8.150 nan 0.000 0.486 213 P HA 0.091 nan 4.420 nan 0.000 0.269 213 P C 0.116 177.484 177.300 0.113 0.000 1.209 213 P CA -0.138 63.005 63.100 0.072 0.000 0.776 213 P CB 0.439 32.214 31.700 0.125 0.000 0.876 214 E N 0.795 121.052 120.200 0.096 0.000 2.495 214 E HA -0.181 4.169 4.350 0.001 0.000 0.204 214 E C 0.348 177.022 176.600 0.123 0.000 1.163 214 E CA 0.431 56.895 56.400 0.105 0.000 0.922 214 E CB -0.547 29.194 29.700 0.070 0.000 0.918 214 E HN 0.330 nan 8.360 nan 0.000 0.537 215 N N -0.557 118.232 118.700 0.148 0.000 2.240 215 N HA 0.005 4.745 4.740 0.001 0.000 0.240 215 N C 0.100 175.709 175.510 0.165 0.000 1.277 215 N CA -0.412 52.715 53.050 0.129 0.000 0.873 215 N CB -0.090 38.453 38.487 0.092 0.000 1.222 215 N HN 0.112 nan 8.380 nan 0.000 0.507 216 F N 0.723 120.689 119.950 0.026 0.000 2.146 216 F HA -0.025 4.502 4.527 0.001 0.000 0.298 216 F C 1.709 177.439 175.800 -0.116 0.000 1.096 216 F CA 1.108 59.075 58.000 -0.055 0.000 1.275 216 F CB -0.720 38.315 39.000 0.058 0.000 1.008 216 F HN 0.223 nan 8.300 nan 0.000 0.480 217 Y N 1.090 121.207 120.300 -0.304 0.000 2.207 217 Y HA -0.235 4.316 4.550 0.001 0.000 0.287 217 Y C 2.569 178.167 175.900 -0.503 0.000 1.156 217 Y CA 2.384 60.038 58.100 -0.744 0.000 1.182 217 Y CB -0.590 37.405 38.460 -0.775 0.000 0.979 217 Y HN 0.289 nan 8.280 nan 0.000 0.521 218 E N 0.036 120.081 120.200 -0.259 0.000 2.072 218 E HA -0.179 4.172 4.350 0.001 0.000 0.190 218 E C 2.229 178.669 176.600 -0.266 0.000 0.982 218 E CA 1.271 57.522 56.400 -0.248 0.000 0.803 218 E CB -0.250 29.402 29.700 -0.080 0.000 0.755 218 E HN 0.603 nan 8.360 nan 0.000 0.453 219 I N 1.049 121.494 120.570 -0.208 0.000 2.151 219 I HA -0.339 3.832 4.170 0.001 0.000 0.243 219 I C 2.399 178.350 176.117 -0.277 0.000 1.080 219 I CA 1.098 62.296 61.300 -0.170 0.000 1.339 219 I CB -0.213 37.732 38.000 -0.091 0.000 1.039 219 I HN 0.208 nan 8.210 nan 0.000 0.409 220 L N 0.076 121.008 121.223 -0.485 0.000 2.056 220 L HA -0.215 4.125 4.340 0.001 0.000 0.207 220 L C 2.579 179.166 176.870 -0.472 0.000 1.078 220 L CA 1.405 55.931 54.840 -0.523 0.000 0.749 220 L CB -0.618 40.977 42.059 -0.773 0.000 0.901 220 L HN 0.303 nan 8.230 nan 0.000 0.433 221 E N 0.761 120.614 120.200 -0.578 0.000 2.031 221 E HA -0.237 4.114 4.350 0.001 0.000 0.193 221 E C 2.184 178.611 176.600 -0.288 0.000 0.994 221 E CA 1.242 57.352 56.400 -0.483 0.000 0.800 221 E CB 0.130 29.489 29.700 -0.568 0.000 0.752 221 E HN 0.320 nan 8.360 nan 0.000 0.447 222 K N 0.146 120.404 120.400 -0.237 0.000 2.044 222 K HA -0.191 4.129 4.320 0.001 0.000 0.210 222 K C 2.207 178.734 176.600 -0.122 0.000 1.049 222 K CA 1.324 57.523 56.287 -0.147 0.000 0.927 222 K CB -0.253 32.182 32.500 -0.108 0.000 0.713 222 K HN 0.180 nan 8.250 nan 0.000 0.443 223 A N 1.212 123.954 122.820 -0.130 0.000 1.908 223 A HA -0.175 4.146 4.320 0.001 0.000 0.218 223 A C 2.110 179.635 177.584 -0.099 0.000 1.181 223 A CA 1.296 53.280 52.037 -0.088 0.000 0.627 223 A CB -0.537 18.422 19.000 -0.068 0.000 0.818 223 A HN 0.235 nan 8.150 nan 0.000 0.445 224 L N -0.578 120.556 121.223 -0.149 0.000 2.056 224 L HA -0.072 4.268 4.340 0.001 0.000 0.207 224 L C 2.287 179.090 176.870 -0.111 0.000 1.078 224 L CA 2.497 57.252 54.840 -0.142 0.000 0.749 224 L CB -0.448 41.493 42.059 -0.198 0.000 0.901 224 L HN 0.329 nan 8.230 nan 0.000 0.433 225 K N -0.283 120.047 120.400 -0.116 0.000 2.057 225 K HA -0.175 4.146 4.320 0.001 0.000 0.207 225 K C 2.326 178.886 176.600 -0.066 0.000 1.049 225 K CA 1.331 57.565 56.287 -0.088 0.000 0.931 225 K CB -0.276 32.169 32.500 -0.092 0.000 0.714 225 K HN 0.160 nan 8.250 nan 0.000 0.440 226 R N -1.051 119.411 120.500 -0.063 0.000 2.293 226 R HA -0.097 4.244 4.340 0.001 0.000 0.219 226 R C 0.599 176.878 176.300 -0.035 0.000 1.091 226 R CA 1.138 57.212 56.100 -0.044 0.000 1.004 226 R CB -0.139 30.138 30.300 -0.037 0.000 0.865 226 R HN 0.509 nan 8.270 nan 0.000 0.469 227 G N -0.622 108.154 108.800 -0.040 0.000 2.175 227 G HA2 -0.252 3.709 3.960 0.001 0.000 0.244 227 G HA3 -0.252 3.709 3.960 0.001 0.000 0.244 227 G C 0.047 174.938 174.900 -0.015 0.000 0.982 227 G CA 0.283 45.365 45.100 -0.030 0.000 0.641 227 G HN 0.365 nan 8.290 nan 0.000 0.527 228 S N 0.438 116.129 115.700 -0.016 0.000 2.576 228 S HA 0.519 4.989 4.470 0.001 0.000 0.272 228 S C 0.720 175.323 174.600 0.005 0.000 1.352 228 S CA -0.112 58.090 58.200 0.003 0.000 1.021 228 S CB 0.893 64.097 63.200 0.005 0.000 0.887 228 S HN 0.448 nan 8.310 nan 0.000 0.542 229 L N 2.330 123.573 121.223 0.034 0.000 2.292 229 L HA 0.466 4.807 4.340 0.001 0.000 0.284 229 L C -1.046 175.851 176.870 0.045 0.000 1.065 229 L CA -0.654 54.213 54.840 0.044 0.000 0.806 229 L CB 0.390 42.503 42.059 0.090 0.000 1.175 229 L HN 0.373 nan 8.230 nan 0.000 0.431 230 L N 2.699 123.934 121.223 0.020 0.000 2.385 230 L HA 0.793 5.134 4.340 0.001 0.000 0.273 230 L C 0.343 177.240 176.870 0.044 0.000 0.990 230 L CA -0.021 54.836 54.840 0.028 0.000 0.821 230 L CB 1.933 43.967 42.059 -0.041 0.000 1.279 230 L HN 0.613 nan 8.230 nan 0.000 0.412 231 G N 0.320 109.185 108.800 0.108 0.000 2.714 231 G HA2 0.782 4.742 3.960 0.001 0.000 0.292 231 G HA3 0.782 4.742 3.960 0.001 0.000 0.292 231 G C -1.206 173.808 174.900 0.190 0.000 1.308 231 G CA -0.560 44.630 45.100 0.150 0.000 0.964 231 G HN 0.912 nan 8.290 nan 0.000 0.484 232 C N -1.629 117.812 119.300 0.234 0.000 3.285 232 C HA 0.952 5.412 4.460 0.001 0.000 0.325 232 C C -1.062 174.199 174.990 0.453 0.000 1.304 232 C CA -1.455 57.665 59.018 0.171 0.000 1.319 232 C CB 0.358 28.035 27.740 -0.104 0.000 1.640 232 C HN 1.445 nan 8.230 nan 0.000 0.477 233 F N -1.221 118.958 119.950 0.382 0.000 2.773 233 F HA 0.845 5.372 4.527 0.001 0.000 0.314 233 F C -1.583 174.445 175.800 0.380 0.000 1.160 233 F CA -1.513 56.787 58.000 0.499 0.000 0.920 233 F CB 0.528 39.717 39.000 0.313 0.000 1.323 233 F HN 0.648 nan 8.300 nan 0.000 0.457 234 I N 1.588 122.420 120.570 0.437 0.000 2.525 234 I HA 0.314 4.484 4.170 0.001 0.000 0.301 234 I C -0.658 175.630 176.117 0.286 0.000 0.992 234 I CA -0.807 60.580 61.300 0.144 0.000 1.162 234 I CB 1.393 39.381 38.000 -0.020 0.000 1.332 234 I HN 0.495 nan 8.210 nan 0.000 0.458 235 D N 2.611 123.107 120.400 0.160 0.000 2.302 235 D HA 0.135 4.775 4.640 0.001 0.000 0.248 235 D C 0.036 176.422 176.300 0.143 0.000 1.094 235 D CA 0.123 54.238 54.000 0.192 0.000 0.897 235 D CB 1.599 42.467 40.800 0.112 0.000 1.200 235 D HN 0.470 nan 8.370 nan 0.000 0.429 236 T N 0.883 115.523 114.554 0.144 0.000 2.744 236 T HA 0.262 4.612 4.350 0.001 0.000 0.291 236 T C 1.028 175.774 174.700 0.076 0.000 0.957 236 T CA -0.542 61.619 62.100 0.102 0.000 1.002 236 T CB 0.681 69.603 68.868 0.089 0.000 0.919 236 T HN 0.260 nan 8.240 nan 0.000 0.468 237 R N 2.762 123.299 120.500 0.062 0.000 2.153 237 R HA 0.114 4.454 4.340 0.001 0.000 0.218 237 R C 1.570 177.895 176.300 0.042 0.000 1.072 237 R CA 0.828 56.957 56.100 0.048 0.000 0.990 237 R CB 0.179 30.504 30.300 0.041 0.000 0.889 237 R HN 0.596 nan 8.270 nan 0.000 0.452 238 S N -1.821 113.906 115.700 0.045 0.000 2.648 238 S HA 0.318 4.789 4.470 0.001 0.000 0.270 238 S C 0.753 175.376 174.600 0.039 0.000 1.080 238 S CA 0.174 58.397 58.200 0.039 0.000 1.159 238 S CB 1.712 64.934 63.200 0.037 0.000 1.091 238 S HN 0.370 nan 8.310 nan 0.000 0.605 239 A N 1.224 124.071 122.820 0.045 0.000 3.810 239 A HA -0.286 4.034 4.320 0.001 0.000 0.245 239 A C 1.703 179.317 177.584 0.051 0.000 0.706 239 A CA 1.714 53.778 52.037 0.046 0.000 1.286 239 A CB -2.252 16.770 19.000 0.037 0.000 1.169 239 A HN 1.184 nan 8.150 nan 0.000 0.691 240 A N -1.071 121.777 122.820 0.047 0.000 2.208 240 A HA 0.295 4.615 4.320 0.001 0.000 0.209 240 A C 1.557 179.173 177.584 0.054 0.000 1.161 240 A CA 1.712 53.777 52.037 0.048 0.000 0.782 240 A CB -0.299 18.724 19.000 0.039 0.000 0.816 240 A HN 0.750 nan 8.150 nan 0.000 0.477 241 E N -0.145 120.090 120.200 0.058 0.000 2.400 241 E HA 0.048 4.398 4.350 0.001 0.000 0.195 241 E C 0.513 177.161 176.600 0.080 0.000 1.012 241 E CA -0.011 56.428 56.400 0.065 0.000 0.875 241 E CB 0.129 29.866 29.700 0.062 0.000 0.859 241 E HN 0.424 nan 8.360 nan 0.000 0.498 242 S N 1.337 117.087 115.700 0.083 0.000 2.626 242 S HA -0.132 4.339 4.470 0.001 0.000 0.303 242 S C 0.186 174.856 174.600 0.116 0.000 1.256 242 S CA 0.475 58.736 58.200 0.101 0.000 1.069 242 S CB 0.005 63.262 63.200 0.095 0.000 0.807 242 S HN 0.328 nan 8.310 nan 0.000 0.500 243 E N -0.498 119.779 120.200 0.127 0.000 3.413 243 E HA -0.223 4.128 4.350 0.001 0.000 0.300 243 E C 0.164 176.834 176.600 0.115 0.000 0.891 243 E CA 1.058 57.532 56.400 0.124 0.000 1.050 243 E CB -2.264 27.551 29.700 0.191 0.000 1.534 243 E HN 0.823 nan 8.360 nan 0.000 0.436 244 A N 1.104 123.983 122.820 0.098 0.000 2.371 244 A HA 0.448 4.768 4.320 0.001 0.000 0.257 244 A C 0.641 178.277 177.584 0.087 0.000 1.089 244 A CA -0.054 52.036 52.037 0.090 0.000 0.794 244 A CB 0.493 19.538 19.000 0.076 0.000 1.029 244 A HN 0.152 nan 8.150 nan 0.000 0.488 245 R N 0.832 121.385 120.500 0.089 0.000 2.486 245 R HA 0.470 4.811 4.340 0.001 0.000 0.286 245 R C 0.165 176.510 176.300 0.075 0.000 0.999 245 R CA -0.222 55.933 56.100 0.090 0.000 0.993 245 R CB 1.123 31.483 30.300 0.101 0.000 1.084 245 R HN 0.848 nan 8.270 nan 0.000 0.487 246 T N -1.190 113.414 114.554 0.084 0.000 2.847 246 T HA 0.212 4.563 4.350 0.001 0.000 0.279 246 T C -1.731 172.995 174.700 0.043 0.000 0.984 246 T CA -1.662 60.492 62.100 0.090 0.000 0.988 246 T CB 1.071 70.028 68.868 0.148 0.000 1.040 246 T HN 0.269 nan 8.240 nan 0.000 0.528 247 P HA 0.092 nan 4.420 nan 0.000 0.222 247 P C 0.659 177.762 177.300 -0.328 0.000 1.147 247 P CA 0.703 63.701 63.100 -0.170 0.000 0.790 247 P CB -0.167 31.390 31.700 -0.239 0.000 0.780 248 F N -0.976 118.896 119.950 -0.129 0.000 2.811 248 F HA 0.284 4.811 4.527 0.001 0.000 0.301 248 F C 1.732 177.432 175.800 -0.167 0.000 1.151 248 F CA 0.702 58.549 58.000 -0.255 0.000 1.412 248 F CB -0.695 38.126 39.000 -0.299 0.000 1.113 248 F HN -0.014 nan 8.300 nan 0.000 0.579 249 G N 0.937 109.768 108.800 0.051 0.000 2.147 249 G HA2 -0.286 3.674 3.960 0.001 0.000 0.244 249 G HA3 -0.286 3.674 3.960 0.001 0.000 0.244 249 G C 0.023 175.013 174.900 0.151 0.000 1.005 249 G CA -0.141 45.001 45.100 0.070 0.000 0.713 249 G HN 0.287 nan 8.290 nan 0.000 0.515 250 L N 0.365 121.690 121.223 0.171 0.000 2.360 250 L HA 0.654 4.995 4.340 0.001 0.000 0.271 250 L C 0.561 177.530 176.870 0.164 0.000 1.057 250 L CA -1.403 53.555 54.840 0.195 0.000 0.803 250 L CB 1.144 43.218 42.059 0.023 0.000 1.207 250 L HN -0.082 nan 8.230 nan 0.000 0.445 251 I N 1.745 122.453 120.570 0.229 0.000 2.336 251 I HA 0.311 4.481 4.170 0.001 0.000 0.292 251 I C 0.138 176.364 176.117 0.181 0.000 0.991 251 I CA -0.600 60.731 61.300 0.052 0.000 1.227 251 I CB 1.205 38.923 38.000 -0.470 0.000 1.366 251 I HN 0.568 nan 8.210 nan 0.000 0.466 252 K N 3.286 123.762 120.400 0.127 0.000 2.154 252 K HA 0.443 4.764 4.320 0.001 0.000 0.264 252 K C 0.926 177.642 176.600 0.193 0.000 1.008 252 K CA 0.043 56.422 56.287 0.154 0.000 0.937 252 K CB 0.610 33.173 32.500 0.106 0.000 1.002 252 K HN 0.888 nan 8.250 nan 0.000 0.469 253 G N 1.729 110.664 108.800 0.225 0.000 2.225 253 G HA2 -0.282 3.678 3.960 0.001 0.000 0.267 253 G HA3 -0.282 3.678 3.960 0.001 0.000 0.267 253 G C -0.622 174.396 174.900 0.197 0.000 1.024 253 G CA 0.534 45.744 45.100 0.183 0.000 0.784 253 G HN 0.750 nan 8.290 nan 0.000 0.507 254 H N -0.338 118.818 119.070 0.143 0.000 2.744 254 H HA 0.656 5.212 4.556 0.001 0.000 0.339 254 H C 0.175 175.605 175.328 0.170 0.000 1.004 254 H CA 0.229 56.301 56.048 0.040 0.000 1.257 254 H CB 1.244 30.941 29.762 -0.108 0.000 1.552 254 H HN 0.584 nan 8.280 nan 0.000 0.522 255 A N 5.227 127.922 122.820 -0.208 0.000 2.404 255 A HA 0.338 4.659 4.320 0.001 0.000 0.273 255 A C -1.089 176.430 177.584 -0.108 0.000 1.144 255 A CA -0.028 51.999 52.037 -0.017 0.000 0.806 255 A CB -0.487 18.485 19.000 -0.047 0.000 1.080 255 A HN 0.699 nan 8.150 nan 0.000 0.509 256 Y N 1.176 121.534 120.300 0.096 0.000 2.457 256 Y HA 0.431 4.982 4.550 0.001 0.000 0.333 256 Y C 0.846 176.744 175.900 -0.004 0.000 1.119 256 Y CA -0.445 57.684 58.100 0.047 0.000 1.143 256 Y CB 2.044 40.576 38.460 0.120 0.000 1.230 256 Y HN 0.618 nan 8.280 nan 0.000 0.469 257 S N 1.283 117.038 115.700 0.092 0.000 2.525 257 S HA 0.399 4.870 4.470 0.001 0.000 0.278 257 S C -0.663 173.892 174.600 -0.076 0.000 1.234 257 S CA -0.860 57.342 58.200 0.003 0.000 1.058 257 S CB 1.094 64.271 63.200 -0.039 0.000 0.983 257 S HN 0.345 nan 8.310 nan 0.000 0.495 258 V N 3.517 123.361 119.914 -0.117 0.000 2.348 258 V HA 0.271 4.392 4.120 0.001 0.000 0.270 258 V C 1.189 177.139 176.094 -0.240 0.000 1.037 258 V CA -0.291 61.865 62.300 -0.240 0.000 0.872 258 V CB 0.478 32.145 31.823 -0.261 0.000 1.002 258 V HN 1.140 nan 8.190 nan 0.000 0.464 259 T N 0.276 114.648 114.554 -0.304 0.000 3.044 259 T HA 0.488 4.838 4.350 0.001 0.000 0.260 259 T C 0.559 175.081 174.700 -0.296 0.000 1.019 259 T CA 0.297 62.240 62.100 -0.262 0.000 0.921 259 T CB 0.536 69.255 68.868 -0.247 0.000 1.053 259 T HN 0.962 nan 8.240 nan 0.000 0.533 260 G N 0.546 109.121 108.800 -0.376 0.000 2.691 260 G HA2 0.570 4.531 3.960 0.001 0.000 0.298 260 G HA3 0.570 4.531 3.960 0.001 0.000 0.298 260 G C -1.938 172.781 174.900 -0.302 0.000 1.471 260 G CA -0.832 44.072 45.100 -0.326 0.000 0.912 260 G HN 0.324 nan 8.290 nan 0.000 0.553 261 I N 1.477 121.954 120.570 -0.155 0.000 2.533 261 I HA 0.576 4.747 4.170 0.001 0.000 0.290 261 I C -1.466 174.665 176.117 0.025 0.000 1.056 261 I CA -0.645 60.568 61.300 -0.145 0.000 1.057 261 I CB 2.634 40.359 38.000 -0.457 0.000 1.240 261 I HN 0.407 nan 8.210 nan 0.000 0.423 262 D N 4.426 124.923 120.400 0.161 0.000 2.706 262 D HA 0.189 4.830 4.640 0.001 0.000 0.227 262 D C -1.537 174.771 176.300 0.014 0.000 1.233 262 D CA -0.465 53.591 54.000 0.093 0.000 0.768 262 D CB 2.522 43.367 40.800 0.077 0.000 1.490 262 D HN 0.425 nan 8.370 nan 0.000 0.458 263 Q N 0.773 120.550 119.800 -0.037 0.000 2.222 263 Q HA 0.714 5.054 4.340 0.001 0.000 0.252 263 Q C -1.298 174.589 176.000 -0.189 0.000 0.926 263 Q CA -0.695 55.032 55.803 -0.127 0.000 0.899 263 Q CB 2.118 30.810 28.738 -0.077 0.000 1.250 263 Q HN 0.290 nan 8.270 nan 0.000 0.441 264 V N 1.619 121.385 119.914 -0.247 0.000 3.049 264 V HA 0.579 4.700 4.120 0.001 0.000 0.309 264 V C -1.308 174.737 176.094 -0.081 0.000 1.148 264 V CA -0.456 61.731 62.300 -0.188 0.000 0.990 264 V CB 2.728 34.378 31.823 -0.288 0.000 1.039 264 V HN 0.978 nan 8.190 nan 0.000 0.430 265 S N 4.112 119.818 115.700 0.011 0.000 2.525 265 S HA 0.861 5.331 4.470 0.001 0.000 0.290 265 S C -0.947 173.783 174.600 0.216 0.000 1.152 265 S CA -0.494 57.758 58.200 0.087 0.000 1.072 265 S CB 1.480 64.706 63.200 0.043 0.000 1.027 265 S HN 1.345 nan 8.310 nan 0.000 0.500 266 F N 2.058 122.031 119.950 0.038 0.000 2.911 266 F HA 0.425 4.953 4.527 0.001 0.000 0.349 266 F C -0.040 175.784 175.800 0.040 0.000 1.222 266 F CA -0.548 57.495 58.000 0.071 0.000 1.164 266 F CB 0.867 39.996 39.000 0.216 0.000 1.454 266 F HN 0.830 nan 8.300 nan 0.000 0.616 267 R N 4.436 124.608 120.500 -0.547 0.000 3.416 267 R HA -0.176 4.164 4.340 0.001 0.000 0.263 267 R C 1.098 177.251 176.300 -0.245 0.000 1.053 267 R CA 1.263 57.056 56.100 -0.512 0.000 0.705 267 R CB -1.667 28.116 30.300 -0.861 0.000 1.124 267 R HN 1.892 nan 8.270 nan 0.000 0.444 268 G N -1.140 107.585 108.800 -0.125 0.000 2.527 268 G HA2 -0.370 3.591 3.960 0.001 0.000 0.218 268 G HA3 -0.370 3.591 3.960 0.001 0.000 0.218 268 G C 0.272 175.161 174.900 -0.019 0.000 1.177 268 G CA 0.429 45.492 45.100 -0.060 0.000 0.695 268 G HN 0.426 nan 8.290 nan 0.000 0.517 269 Q N 0.236 120.038 119.800 0.003 0.000 2.407 269 Q HA 0.650 4.990 4.340 0.001 0.000 0.214 269 Q C 0.356 176.393 176.000 0.062 0.000 1.043 269 Q CA -0.310 55.517 55.803 0.040 0.000 0.983 269 Q CB 0.728 29.508 28.738 0.071 0.000 1.211 269 Q HN 0.365 nan 8.270 nan 0.000 0.564 270 R N 0.823 121.343 120.500 0.033 0.000 2.310 270 R HA 0.385 4.726 4.340 0.001 0.000 0.324 270 R C -1.216 175.066 176.300 -0.030 0.000 0.955 270 R CA -0.633 55.468 56.100 0.001 0.000 0.830 270 R CB 0.829 31.106 30.300 -0.039 0.000 1.154 270 R HN 0.430 nan 8.270 nan 0.000 0.458 271 I N 2.837 123.376 120.570 -0.052 0.000 2.321 271 I HA 0.114 4.285 4.170 0.001 0.000 0.291 271 I C -0.201 175.732 176.117 -0.307 0.000 0.998 271 I CA -0.278 60.939 61.300 -0.138 0.000 1.227 271 I CB 1.324 39.264 38.000 -0.099 0.000 1.368 271 I HN 0.505 nan 8.210 nan 0.000 0.466 272 E N 7.178 127.175 120.200 -0.337 0.000 2.351 272 E HA 0.259 4.609 4.350 0.001 0.000 0.266 272 E C -0.982 175.413 176.600 -0.342 0.000 1.031 272 E CA 0.136 56.240 56.400 -0.493 0.000 0.911 272 E CB 0.611 29.736 29.700 -0.958 0.000 0.986 272 E HN 0.502 nan 8.360 nan 0.000 0.446 273 L N 4.290 125.354 121.223 -0.265 0.000 2.334 273 L HA 0.592 4.933 4.340 0.001 0.000 0.273 273 L C -0.256 176.710 176.870 0.159 0.000 1.013 273 L CA -0.850 53.893 54.840 -0.163 0.000 0.816 273 L CB 1.402 43.215 42.059 -0.410 0.000 1.278 273 L HN 0.503 nan 8.230 nan 0.000 0.431 274 I N 2.057 122.722 120.570 0.159 0.000 2.689 274 I HA 0.477 4.648 4.170 0.001 0.000 0.299 274 I C -0.818 175.199 176.117 -0.166 0.000 1.059 274 I CA -0.680 60.582 61.300 -0.062 0.000 1.055 274 I CB 2.279 40.081 38.000 -0.330 0.000 1.243 274 I HN 0.629 nan 8.210 nan 0.000 0.425 275 R N 7.157 127.322 120.500 -0.558 0.000 2.562 275 R HA 0.678 5.019 4.340 0.001 0.000 0.298 275 R C -1.607 174.281 176.300 -0.688 0.000 0.961 275 R CA -0.611 54.959 56.100 -0.885 0.000 0.881 275 R CB 1.333 30.707 30.300 -1.542 0.000 1.159 275 R HN 0.500 nan 8.270 nan 0.000 0.450 276 I N 2.891 123.006 120.570 -0.759 0.000 2.865 276 I HA 0.481 4.651 4.170 0.001 0.000 0.302 276 I C -0.673 174.994 176.117 -0.750 0.000 1.140 276 I CA -0.759 60.126 61.300 -0.692 0.000 1.021 276 I CB 2.062 39.650 38.000 -0.686 0.000 1.233 276 I HN 0.685 nan 8.210 nan 0.000 0.427 277 R N 3.159 123.481 120.500 -0.296 0.000 2.514 277 R HA 0.308 4.648 4.340 0.001 0.000 0.296 277 R C -0.803 175.572 176.300 0.125 0.000 1.012 277 R CA -0.613 55.418 56.100 -0.115 0.000 0.897 277 R CB 1.319 31.547 30.300 -0.119 0.000 1.184 277 R HN 0.641 nan 8.270 nan 0.000 0.440 278 N N 5.263 124.106 118.700 0.239 0.000 2.452 278 N HA 0.039 4.779 4.740 0.001 0.000 0.266 278 N C -1.793 173.705 175.510 -0.019 0.000 1.209 278 N CA -1.450 51.591 53.050 -0.014 0.000 0.929 278 N CB 1.403 40.009 38.487 0.199 0.000 1.063 278 N HN 0.428 nan 8.380 nan 0.000 0.472 279 P HA -0.015 nan 4.420 nan 0.000 0.234 279 P C 1.032 178.393 177.300 0.101 0.000 1.167 279 P CA 0.569 63.625 63.100 -0.073 0.000 0.763 279 P CB 0.042 31.629 31.700 -0.188 0.000 0.835 280 W N 0.816 122.137 121.300 0.035 0.000 2.392 280 W HA 0.117 4.778 4.660 0.001 0.000 0.279 280 W C 1.631 178.153 176.519 0.005 0.000 1.225 280 W CA 1.769 59.139 57.345 0.041 0.000 1.233 280 W CB -1.586 27.923 29.460 0.081 0.000 1.122 280 W HN 0.192 nan 8.180 nan 0.000 0.561 281 G N 0.673 109.620 108.800 0.245 0.000 2.160 281 G HA2 -0.242 3.718 3.960 0.001 0.000 0.244 281 G HA3 -0.242 3.718 3.960 0.001 0.000 0.244 281 G C 0.018 175.021 174.900 0.172 0.000 1.022 281 G CA 0.442 45.622 45.100 0.132 0.000 0.741 281 G HN 0.372 nan 8.290 nan 0.000 0.508 282 Q N -1.491 118.473 119.800 0.273 0.000 2.849 282 Q HA 0.432 4.772 4.340 0.001 0.000 0.267 282 Q C -0.409 175.824 176.000 0.389 0.000 0.957 282 Q CA -0.234 55.727 55.803 0.263 0.000 0.856 282 Q CB 1.558 30.402 28.738 0.177 0.000 1.740 282 Q HN 1.469 nan 8.270 nan 0.000 0.441 283 V N 1.591 121.694 119.914 0.315 0.000 3.411 283 V HA -0.210 3.910 4.120 0.001 0.000 0.484 283 V C -0.902 175.401 176.094 0.348 0.000 0.682 283 V CA 1.493 63.994 62.300 0.335 0.000 2.023 283 V CB -0.922 31.200 31.823 0.498 0.000 2.468 283 V HN 0.808 nan 8.190 nan 0.000 0.502 284 E N 3.772 124.105 120.200 0.222 0.000 2.423 284 E HA 0.390 4.741 4.350 0.001 0.000 0.269 284 E C -0.283 176.224 176.600 -0.156 0.000 0.948 284 E CA -0.883 55.560 56.400 0.073 0.000 0.802 284 E CB 1.852 31.665 29.700 0.189 0.000 1.339 284 E HN 0.729 nan 8.360 nan 0.000 0.445 285 W N 1.831 122.562 121.300 -0.949 0.000 2.231 285 W HA -0.022 4.638 4.660 0.001 0.000 0.341 285 W C -0.150 176.263 176.519 -0.177 0.000 1.298 285 W CA 0.336 57.330 57.345 -0.586 0.000 1.266 285 W CB 0.505 29.455 29.460 -0.850 0.000 1.172 285 W HN 0.562 nan 8.180 nan 0.000 0.568 286 N N 3.098 121.390 118.700 -0.679 0.000 2.439 286 N HA 0.078 4.818 4.740 0.001 0.000 0.176 286 N C 1.062 176.143 175.510 -0.715 0.000 1.029 286 N CA 1.057 53.762 53.050 -0.575 0.000 0.886 286 N CB -0.230 37.980 38.487 -0.462 0.000 1.057 286 N HN 0.544 nan 8.380 nan 0.000 0.437 287 G N 0.205 108.188 108.800 -1.362 0.000 2.546 287 G HA2 0.217 4.177 3.960 0.001 0.000 0.239 287 G HA3 0.217 4.177 3.960 0.001 0.000 0.239 287 G C -0.342 174.445 174.900 -0.189 0.000 1.476 287 G CA -0.124 44.569 45.100 -0.678 0.000 1.064 287 G HN 0.258 nan 8.290 nan 0.000 0.561 288 S N -1.907 113.910 115.700 0.195 0.000 2.552 288 S HA 0.026 4.496 4.470 0.001 0.000 0.289 288 S C -0.036 174.846 174.600 0.470 0.000 1.304 288 S CA 0.648 58.944 58.200 0.161 0.000 1.063 288 S CB -0.307 62.969 63.200 0.126 0.000 0.848 288 S HN 0.952 nan 8.310 nan 0.000 0.499 289 W N 0.261 121.632 121.300 0.119 0.000 2.046 289 W HA -0.278 4.382 4.660 0.001 0.000 0.263 289 W C 0.739 177.640 176.519 0.636 0.000 1.048 289 W CA 0.558 57.962 57.345 0.099 0.000 0.474 289 W CB -2.736 26.732 29.460 0.014 0.000 2.069 289 W HN 0.996 nan 8.180 nan 0.000 1.264 290 S N 0.055 116.182 115.700 0.711 0.000 2.608 290 S HA 0.221 4.692 4.470 0.001 0.000 0.261 290 S C 1.107 176.115 174.600 0.680 0.000 1.314 290 S CA 0.214 58.813 58.200 0.664 0.000 0.992 290 S CB 1.192 64.539 63.200 0.245 0.000 0.935 290 S HN 0.055 nan 8.310 nan 0.000 0.564 291 D N 1.174 121.891 120.400 0.528 0.000 2.127 291 D HA -0.085 4.555 4.640 0.001 0.000 0.190 291 D C 0.969 177.475 176.300 0.344 0.000 1.000 291 D CA 1.909 56.156 54.000 0.412 0.000 0.839 291 D CB -0.442 40.488 40.800 0.217 0.000 0.955 291 D HN 0.559 nan 8.370 nan 0.000 0.446 292 S N -0.518 115.329 115.700 0.245 0.000 2.481 292 S HA 0.240 4.711 4.470 0.001 0.000 0.243 292 S C 0.132 174.835 174.600 0.171 0.000 1.152 292 S CA -0.391 57.915 58.200 0.177 0.000 1.168 292 S CB 0.719 63.977 63.200 0.097 0.000 0.835 292 S HN 0.006 nan 8.310 nan 0.000 0.474 293 S N 2.675 118.533 115.700 0.263 0.000 2.617 293 S HA 0.418 4.888 4.470 0.001 0.000 0.283 293 S C -1.591 173.091 174.600 0.137 0.000 1.189 293 S CA -1.732 56.559 58.200 0.151 0.000 1.036 293 S CB 0.933 64.209 63.200 0.128 0.000 1.014 293 S HN 0.165 nan 8.310 nan 0.000 0.522 294 P HA 0.063 nan 4.420 nan 0.000 0.231 294 P C 0.586 177.833 177.300 -0.088 0.000 1.168 294 P CA 0.530 63.633 63.100 0.005 0.000 0.779 294 P CB 0.128 31.821 31.700 -0.011 0.000 0.844 295 E N -0.632 119.353 120.200 -0.358 0.000 2.284 295 E HA -0.185 4.165 4.350 0.001 0.000 0.200 295 E C 1.463 177.671 176.600 -0.654 0.000 1.008 295 E CA 1.431 57.334 56.400 -0.829 0.000 0.829 295 E CB -0.818 27.644 29.700 -2.064 0.000 0.744 295 E HN 0.438 nan 8.360 nan 0.000 0.491 296 W N -0.023 121.105 121.300 -0.286 0.000 2.576 296 W HA 0.059 4.720 4.660 0.001 0.000 0.270 296 W C 2.157 178.661 176.519 -0.026 0.000 1.255 296 W CA 0.239 57.481 57.345 -0.170 0.000 1.314 296 W CB 0.053 29.386 29.460 -0.213 0.000 1.101 296 W HN -0.057 nan 8.180 nan 0.000 0.595 297 R N -0.225 120.387 120.500 0.187 0.000 2.096 297 R HA -0.098 4.242 4.340 0.001 0.000 0.235 297 R C 1.737 178.114 176.300 0.128 0.000 1.127 297 R CA 1.426 57.616 56.100 0.150 0.000 0.968 297 R CB -0.775 29.587 30.300 0.102 0.000 0.861 297 R HN -0.047 nan 8.270 nan 0.000 0.440 298 S N 0.411 116.190 115.700 0.133 0.000 2.727 298 S HA 0.046 4.517 4.470 0.001 0.000 0.226 298 S C 0.046 174.760 174.600 0.190 0.000 0.963 298 S CA 0.225 58.507 58.200 0.136 0.000 0.950 298 S CB 0.107 63.397 63.200 0.149 0.000 0.779 298 S HN -0.031 nan 8.310 nan 0.000 0.532 299 V N 1.101 121.132 119.914 0.194 0.000 2.487 299 V HA 0.567 4.687 4.120 0.001 0.000 0.298 299 V C 0.799 176.998 176.094 0.176 0.000 1.028 299 V CA -1.114 61.310 62.300 0.207 0.000 0.860 299 V CB 1.334 33.315 31.823 0.263 0.000 0.991 299 V HN 0.302 nan 8.190 nan 0.000 0.427 300 G N 4.745 113.624 108.800 0.133 0.000 2.630 300 G HA2 0.277 4.237 3.960 0.001 0.000 0.236 300 G HA3 0.277 4.237 3.960 0.001 0.000 0.236 300 G C -1.074 173.896 174.900 0.116 0.000 1.248 300 G CA -0.493 44.669 45.100 0.104 0.000 0.844 300 G HN 0.609 nan 8.290 nan 0.000 0.588 301 P HA 0.019 nan 4.420 nan 0.000 0.227 301 P C 1.592 178.938 177.300 0.077 0.000 1.161 301 P CA 1.165 64.319 63.100 0.090 0.000 0.788 301 P CB 0.371 32.112 31.700 0.068 0.000 0.822 302 A N 0.730 123.589 122.820 0.065 0.000 1.968 302 A HA -0.107 4.214 4.320 0.001 0.000 0.217 302 A C 2.005 179.622 177.584 0.056 0.000 1.169 302 A CA 1.230 53.298 52.037 0.052 0.000 0.638 302 A CB -0.922 18.102 19.000 0.040 0.000 0.812 302 A HN 0.132 nan 8.150 nan 0.000 0.446 303 E N -0.478 119.763 120.200 0.067 0.000 2.299 303 E HA -0.061 4.290 4.350 0.001 0.000 0.193 303 E C 2.066 178.724 176.600 0.097 0.000 0.998 303 E CA 0.634 57.072 56.400 0.064 0.000 0.851 303 E CB -0.043 29.691 29.700 0.057 0.000 0.795 303 E HN 0.690 nan 8.360 nan 0.000 0.492 304 Q N 0.588 120.469 119.800 0.136 0.000 2.062 304 Q HA -0.103 4.238 4.340 0.001 0.000 0.196 304 Q C 1.848 177.919 176.000 0.119 0.000 0.967 304 Q CA 1.225 57.134 55.803 0.176 0.000 0.832 304 Q CB 0.037 28.887 28.738 0.187 0.000 0.899 304 Q HN 0.143 nan 8.270 nan 0.000 0.442 305 K N 0.113 120.565 120.400 0.088 0.000 2.444 305 K HA -0.008 4.313 4.320 0.001 0.000 0.193 305 K C 1.717 178.359 176.600 0.070 0.000 1.024 305 K CA 0.243 56.571 56.287 0.069 0.000 1.077 305 K CB 0.205 32.734 32.500 0.049 0.000 0.833 305 K HN -0.053 nan 8.250 nan 0.000 0.517 306 R N 0.476 121.018 120.500 0.070 0.000 2.066 306 R HA 0.027 4.368 4.340 0.001 0.000 0.224 306 R C 1.394 177.756 176.300 0.103 0.000 1.122 306 R CA 0.662 56.802 56.100 0.067 0.000 0.974 306 R CB -0.080 30.246 30.300 0.044 0.000 0.871 306 R HN 0.171 nan 8.270 nan 0.000 0.435 307 L N 0.864 122.150 121.223 0.104 0.000 2.633 307 L HA -0.033 4.308 4.340 0.001 0.000 0.235 307 L C 0.589 177.675 176.870 0.360 0.000 1.163 307 L CA 0.903 55.856 54.840 0.189 0.000 0.859 307 L CB -0.507 41.476 42.059 -0.127 0.000 0.973 307 L HN 0.432 nan 8.230 nan 0.000 0.451 308 C N -0.561 118.868 119.300 0.215 0.000 4.331 308 C HA -0.240 4.220 4.460 0.001 0.000 0.293 308 C C 1.083 176.173 174.990 0.166 0.000 1.436 308 C CA 0.096 59.216 59.018 0.171 0.000 1.993 308 C CB -3.327 24.508 27.740 0.159 0.000 1.266 308 C HN 0.629 nan 8.230 nan 0.000 0.795 309 H N 1.500 120.575 119.070 0.009 0.000 3.046 309 H HA 0.440 4.996 4.556 0.001 0.000 0.303 309 H C 0.615 175.819 175.328 -0.206 0.000 1.002 309 H CA 2.004 57.906 56.048 -0.244 0.000 1.460 309 H CB 0.631 29.829 29.762 -0.941 0.000 1.493 309 H HN 0.677 nan 8.280 nan 0.000 0.559 310 T N 1.829 116.006 114.554 -0.627 0.000 2.864 310 T HA 0.706 5.056 4.350 0.001 0.000 0.299 310 T C -0.730 173.631 174.700 -0.565 0.000 1.166 310 T CA -0.685 61.096 62.100 -0.531 0.000 1.007 310 T CB 1.359 70.104 68.868 -0.205 0.000 1.219 310 T HN 0.752 nan 8.240 nan 0.000 0.506 311 A N 2.373 124.982 122.820 -0.353 0.000 2.444 311 A HA 0.734 5.054 4.320 0.001 0.000 0.332 311 A C -0.177 177.368 177.584 -0.065 0.000 1.430 311 A CA -0.787 51.148 52.037 -0.169 0.000 0.975 311 A CB -0.916 18.020 19.000 -0.106 0.000 1.147 311 A HN 1.436 nan 8.150 nan 0.000 0.524 312 L N -0.641 120.575 121.223 -0.011 0.000 2.556 312 L HA 0.574 4.915 4.340 0.001 0.000 0.257 312 L C -1.266 175.647 176.870 0.072 0.000 0.955 312 L CA -0.887 53.967 54.840 0.023 0.000 0.850 312 L CB 1.870 43.931 42.059 0.004 0.000 1.398 312 L HN 0.257 nan 8.230 nan 0.000 0.412 313 D N 1.914 122.360 120.400 0.077 0.000 2.540 313 D HA 0.058 4.699 4.640 0.001 0.000 0.237 313 D C 0.540 176.910 176.300 0.118 0.000 1.181 313 D CA 0.398 54.465 54.000 0.112 0.000 1.119 313 D CB 0.321 41.176 40.800 0.091 0.000 1.119 313 D HN 0.564 nan 8.370 nan 0.000 0.498 314 D N 1.196 121.680 120.400 0.140 0.000 2.194 314 D HA -0.003 4.638 4.640 0.001 0.000 0.204 314 D C 1.809 178.198 176.300 0.148 0.000 0.964 314 D CA 1.152 55.223 54.000 0.119 0.000 0.846 314 D CB 0.338 41.207 40.800 0.115 0.000 0.962 314 D HN 0.604 nan 8.370 nan 0.000 0.490 315 G N 1.103 110.046 108.800 0.239 0.000 2.284 315 G HA2 -0.275 3.686 3.960 0.001 0.000 0.230 315 G HA3 -0.275 3.686 3.960 0.001 0.000 0.230 315 G C 0.364 175.475 174.900 0.351 0.000 1.021 315 G CA 0.335 45.616 45.100 0.303 0.000 0.619 315 G HN 0.422 nan 8.290 nan 0.000 0.510 316 E N 0.169 120.504 120.200 0.224 0.000 2.179 316 E HA 0.678 5.029 4.350 0.001 0.000 0.275 316 E C -0.441 176.264 176.600 0.175 0.000 0.945 316 E CA -1.129 55.281 56.400 0.017 0.000 0.792 316 E CB 0.800 30.461 29.700 -0.065 0.000 1.125 316 E HN 0.719 nan 8.360 nan 0.000 0.397 317 F N 0.772 120.765 119.950 0.072 0.000 2.678 317 F HA 0.559 5.086 4.527 0.001 0.000 0.308 317 F C -1.804 174.048 175.800 0.087 0.000 1.118 317 F CA -1.413 56.713 58.000 0.210 0.000 0.959 317 F CB 0.480 39.707 39.000 0.379 0.000 1.305 317 F HN 0.311 nan 8.300 nan 0.000 0.443 318 W N 3.748 125.395 121.300 0.578 0.000 2.448 318 W HA 0.797 5.458 4.660 0.001 0.000 0.339 318 W C -0.047 176.751 176.519 0.466 0.000 1.124 318 W CA -0.678 56.907 57.345 0.401 0.000 1.262 318 W CB 1.710 31.442 29.460 0.453 0.000 1.251 318 W HN 0.764 nan 8.180 nan 0.000 0.597 319 M N 1.361 121.217 119.600 0.427 0.000 2.618 319 M HA 0.846 5.327 4.480 0.001 0.000 0.281 319 M C -1.007 175.328 176.300 0.059 0.000 1.267 319 M CA -1.302 54.130 55.300 0.220 0.000 0.845 319 M CB 1.681 34.101 32.600 -0.301 0.000 1.732 319 M HN 0.386 nan 8.290 nan 0.000 0.461 320 A N 1.145 123.998 122.820 0.054 0.000 2.409 320 A HA 0.392 4.713 4.320 0.001 0.000 0.262 320 A C 0.318 177.940 177.584 0.063 0.000 1.113 320 A CA -0.468 51.526 52.037 -0.071 0.000 0.790 320 A CB -0.200 18.860 19.000 0.100 0.000 1.046 320 A HN 0.840 nan 8.150 nan 0.000 0.496 321 F N 2.512 122.396 119.950 -0.111 0.000 2.147 321 F HA -0.223 4.304 4.527 0.001 0.000 0.301 321 F C 2.185 178.023 175.800 0.064 0.000 1.084 321 F CA 2.401 60.384 58.000 -0.029 0.000 1.268 321 F CB 0.021 38.954 39.000 -0.112 0.000 1.009 321 F HN 0.765 nan 8.300 nan 0.000 0.486 322 K N 0.129 120.507 120.400 -0.036 0.000 2.044 322 K HA -0.227 4.094 4.320 0.001 0.000 0.210 322 K C 1.743 178.277 176.600 -0.109 0.000 1.049 322 K CA 2.105 58.336 56.287 -0.093 0.000 0.927 322 K CB -0.401 32.099 32.500 0.001 0.000 0.713 322 K HN 0.265 nan 8.250 nan 0.000 0.443 323 D N -0.136 120.255 120.400 -0.015 0.000 2.149 323 D HA -0.139 4.501 4.640 0.001 0.000 0.201 323 D C 1.709 177.990 176.300 -0.033 0.000 0.972 323 D CA 0.677 54.686 54.000 0.014 0.000 0.835 323 D CB -0.349 40.530 40.800 0.132 0.000 0.966 323 D HN 0.187 nan 8.370 nan 0.000 0.476 324 F N 2.375 122.213 119.950 -0.187 0.000 2.065 324 F HA -0.228 4.300 4.527 0.001 0.000 0.298 324 F C 2.135 177.865 175.800 -0.117 0.000 1.112 324 F CA 1.642 59.571 58.000 -0.119 0.000 1.212 324 F CB -0.031 38.874 39.000 -0.157 0.000 0.975 324 F HN -0.215 nan 8.300 nan 0.000 0.476 325 K N 0.105 120.335 120.400 -0.283 0.000 2.074 325 K HA -0.213 4.108 4.320 0.001 0.000 0.209 325 K C 2.283 178.717 176.600 -0.277 0.000 1.048 325 K CA 1.377 57.481 56.287 -0.305 0.000 0.926 325 K CB -0.644 31.670 32.500 -0.311 0.000 0.713 325 K HN 0.405 nan 8.250 nan 0.000 0.444 326 A N 0.618 123.262 122.820 -0.293 0.000 1.933 326 A HA -0.188 4.132 4.320 0.001 0.000 0.218 326 A C 1.494 178.754 177.584 -0.541 0.000 1.175 326 A CA 1.658 53.445 52.037 -0.416 0.000 0.628 326 A CB -0.471 18.222 19.000 -0.511 0.000 0.814 326 A HN 0.382 nan 8.150 nan 0.000 0.444 327 H N -3.673 115.236 119.070 -0.268 0.000 2.681 327 H HA 0.362 4.919 4.556 0.001 0.000 0.268 327 H C -0.190 174.846 175.328 -0.487 0.000 0.967 327 H CA -0.215 55.630 56.048 -0.338 0.000 1.233 327 H CB 0.301 29.840 29.762 -0.372 0.000 1.445 327 H HN 0.429 nan 8.280 nan 0.000 0.494 328 F N 0.708 120.426 119.950 -0.387 0.000 2.378 328 F HA 0.140 4.667 4.527 0.001 0.000 0.325 328 F C 0.925 176.498 175.800 -0.379 0.000 1.097 328 F CA -0.240 57.485 58.000 -0.458 0.000 1.079 328 F CB 1.124 39.612 39.000 -0.853 0.000 1.240 328 F HN 0.052 nan 8.300 nan 0.000 0.519 329 D N -0.154 120.165 120.400 -0.135 0.000 2.597 329 D HA 0.109 4.749 4.640 0.001 0.000 0.261 329 D C -0.062 176.100 176.300 -0.231 0.000 1.023 329 D CA 0.785 54.681 54.000 -0.173 0.000 0.927 329 D CB 0.455 41.173 40.800 -0.137 0.000 1.168 329 D HN 0.356 nan 8.370 nan 0.000 0.491 330 K N 0.692 120.842 120.400 -0.417 0.000 2.422 330 K HA 0.612 4.933 4.320 0.001 0.000 0.251 330 K C -1.162 175.261 176.600 -0.295 0.000 0.933 330 K CA -0.685 55.332 56.287 -0.450 0.000 0.798 330 K CB 3.617 35.646 32.500 -0.785 0.000 1.238 330 K HN -0.264 nan 8.250 nan 0.000 0.428 331 V N 2.411 122.337 119.914 0.021 0.000 2.483 331 V HA 0.249 4.370 4.120 0.001 0.000 0.297 331 V C -0.810 175.450 176.094 0.275 0.000 1.027 331 V CA -0.804 61.626 62.300 0.216 0.000 0.855 331 V CB 1.714 33.814 31.823 0.462 0.000 0.995 331 V HN 0.722 nan 8.190 nan 0.000 0.424 332 E N 5.255 125.609 120.200 0.255 0.000 2.158 332 E HA 0.614 4.964 4.350 0.001 0.000 0.271 332 E C -1.140 175.590 176.600 0.217 0.000 0.911 332 E CA -0.479 56.070 56.400 0.248 0.000 0.767 332 E CB 2.433 32.289 29.700 0.259 0.000 1.120 332 E HN 0.554 nan 8.360 nan 0.000 0.405 333 I N 2.001 122.706 120.570 0.226 0.000 2.404 333 I HA 0.257 4.427 4.170 0.001 0.000 0.293 333 I C -0.475 175.717 176.117 0.126 0.000 0.992 333 I CA -0.941 60.462 61.300 0.172 0.000 1.149 333 I CB 1.558 39.685 38.000 0.212 0.000 1.315 333 I HN 0.503 nan 8.210 nan 0.000 0.446 334 C N 6.922 126.279 119.300 0.094 0.000 2.225 334 C HA 0.401 4.861 4.460 0.001 0.000 0.323 334 C C -0.017 175.005 174.990 0.053 0.000 1.164 334 C CA -0.621 58.439 59.018 0.071 0.000 1.565 334 C CB -1.122 26.662 27.740 0.074 0.000 2.124 334 C HN 0.663 nan 8.230 nan 0.000 0.461 335 N N 4.077 122.803 118.700 0.043 0.000 2.518 335 N HA 0.299 5.040 4.740 0.001 0.000 0.283 335 N C 0.520 176.035 175.510 0.008 0.000 1.119 335 N CA -0.288 52.779 53.050 0.029 0.000 0.983 335 N CB 1.610 40.118 38.487 0.035 0.000 1.139 335 N HN 0.501 nan 8.380 nan 0.000 0.465 336 L N 0.400 121.625 121.223 0.004 0.000 2.202 336 L HA 0.061 4.401 4.340 0.001 0.000 0.205 336 L C 1.428 178.290 176.870 -0.013 0.000 1.083 336 L CA 0.977 55.810 54.840 -0.011 0.000 0.790 336 L CB -0.545 41.513 42.059 -0.002 0.000 0.942 336 L HN 0.624 nan 8.230 nan 0.000 0.452 337 T N 0.000 114.551 114.554 -0.004 0.000 3.816 337 T HA 0.000 4.351 4.350 0.001 0.000 0.228 337 T CA 0.000 62.099 62.100 -0.002 0.000 1.349 337 T CB 0.000 68.865 68.868 -0.004 0.000 0.612 337 T HN 0.000 nan 8.240 nan 0.000 0.658