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 3o8r_1_B DATA FIRST_RESID -15 DATA SEQUENCE GSVVIVGRII LSGSGSXXIT AYSQQTRGLL GCIITSLTGR DKNQVEGEVQ DATA SEQUENCE VVSTATQSFL ATCVNGVCWT VYHGAGSKTL AGPKGPITQM YTNVDQDLVG DATA SEQUENCE WQAPPGARSL TPCTCGSSDL YLVTRHADVI PVRRRGDSRG SLLSPRPVSY DATA SEQUENCE LKGSSGGPLL CPSGHAVGIF RAAVCTRGVA KAVDFVPVES METTMRSPVF DATA SEQUENCE TDNSSPPAVP QSFQVAHLHA PTGSGKSTKV PAAYAAQGYK VLVLNPSVAA DATA SEQUENCE TLGFGAYMSK AHGIDPNIRT GVRTITTGAP VTYSTYGKFL ADGGCSGGAY DATA SEQUENCE DIIICDECHS TDSTTILGIG TVLDQAETAG ARLVVLATAT PPGSVTVPHP DATA SEQUENCE NIEEVALSNT GEIPFYGKAI PIEAIRGGRH LIFCHSKKKC DELAAKLSGL DATA SEQUENCE GINAVAYYRG LDVSVIPTIG DVVVVATDAL MTGYTGDFDS VIDCNTCVTQ DATA SEQUENCE TVDFSLDPTF TIETTTVPQD AVSRSQRRGR TGRGRRGIYR FVTPGERPSG DATA SEQUENCE MFDSSVLCEC YDAGCAWYEL TPAETSVRLR AYLNTPGLPV CQDHLEFWES DATA SEQUENCE VFTGLTHIDA HFLSQTKQAG DNFPYLVAYQ ATVCARAQAP PPSWDQMWKC DATA SEQUENCE LIRLKPTLHG PTPLLYRLGA VQNEVTLTHP ITKYIMACMS ADLEVVT 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 -15 G HA2 0.000 nan 3.960 nan 0.000 0.244 -15 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 -15 G C 0.000 174.916 174.900 0.027 0.000 0.946 -15 G CA 0.000 45.112 45.100 0.020 0.000 0.502 -14 S N -0.100 115.608 115.700 0.014 0.000 2.585 -14 S HA 0.524 4.994 4.470 -0.000 0.000 0.273 -14 S C 0.913 175.502 174.600 -0.018 0.000 1.339 -14 S CA -0.273 57.931 58.200 0.007 0.000 1.028 -14 S CB 0.972 64.162 63.200 -0.018 0.000 0.906 -14 S HN 0.558 nan 8.310 nan 0.000 0.528 -13 V N 4.410 124.299 119.914 -0.043 0.000 2.583 -13 V HA 0.372 4.492 4.120 -0.000 0.000 0.287 -13 V C -0.216 175.743 176.094 -0.225 0.000 1.051 -13 V CA -0.272 61.956 62.300 -0.119 0.000 1.010 -13 V CB 1.218 32.954 31.823 -0.144 0.000 0.988 -13 V HN 0.665 nan 8.190 nan 0.000 0.478 -12 V N 6.239 126.030 119.914 -0.205 0.000 2.525 -12 V HA 0.417 4.536 4.120 -0.000 0.000 0.299 -12 V C -0.067 175.903 176.094 -0.207 0.000 1.034 -12 V CA -0.570 61.615 62.300 -0.192 0.000 0.863 -12 V CB 1.865 33.615 31.823 -0.122 0.000 0.999 -12 V HN 0.685 nan 8.190 nan 0.000 0.423 -11 I N 5.288 125.728 120.570 -0.216 0.000 2.581 -11 I HA 0.032 4.201 4.170 -0.000 0.000 0.285 -11 I C 1.052 177.088 176.117 -0.135 0.000 1.129 -11 I CA 0.448 61.636 61.300 -0.188 0.000 1.397 -11 I CB 1.016 38.912 38.000 -0.173 0.000 1.399 -11 I HN 0.645 nan 8.210 nan 0.000 0.537 -10 V N 2.930 122.769 119.914 -0.125 0.000 3.380 -10 V HA 0.707 4.827 4.120 -0.000 0.000 0.307 -10 V C 0.532 176.583 176.094 -0.071 0.000 1.434 -10 V CA 0.436 62.683 62.300 -0.088 0.000 1.075 -10 V CB -0.234 31.542 31.823 -0.079 0.000 0.954 -10 V HN 0.901 nan 8.190 nan 0.000 0.444 -9 G N 0.786 109.537 108.800 -0.081 0.000 2.317 -9 G HA2 0.586 4.545 3.960 -0.000 0.000 0.293 -9 G HA3 0.586 4.545 3.960 -0.000 0.000 0.293 -9 G C -1.369 173.483 174.900 -0.079 0.000 1.287 -9 G CA -0.547 44.514 45.100 -0.067 0.000 0.850 -9 G HN 0.786 nan 8.290 nan 0.000 0.515 -8 R N -1.448 119.006 120.500 -0.077 0.000 2.710 -8 R HA 0.734 5.074 4.340 -0.000 0.000 0.270 -8 R C -1.457 174.772 176.300 -0.118 0.000 1.021 -8 R CA -1.068 54.976 56.100 -0.093 0.000 0.889 -8 R CB 1.516 31.760 30.300 -0.093 0.000 1.243 -8 R HN 0.424 nan 8.270 nan 0.000 0.464 -7 I N 2.979 123.474 120.570 -0.125 0.000 2.354 -7 I HA 0.294 4.464 4.170 -0.000 0.000 0.286 -7 I C -0.092 175.890 176.117 -0.225 0.000 1.007 -7 I CA -0.997 60.208 61.300 -0.159 0.000 1.167 -7 I CB 1.392 39.335 38.000 -0.096 0.000 1.320 -7 I HN 0.577 nan 8.210 nan 0.000 0.458 -6 I N 7.058 127.371 120.570 -0.428 0.000 2.436 -6 I HA 0.240 4.409 4.170 -0.000 0.000 0.289 -6 I C 0.347 176.288 176.117 -0.293 0.000 1.083 -6 I CA -0.176 60.831 61.300 -0.489 0.000 1.372 -6 I CB 0.326 37.672 38.000 -1.090 0.000 1.408 -6 I HN 0.322 nan 8.210 nan 0.000 0.516 -5 L N 5.061 126.199 121.223 -0.143 0.000 2.343 -5 L HA 0.381 4.721 4.340 -0.000 0.000 0.275 -5 L C 0.866 177.721 176.870 -0.025 0.000 1.056 -5 L CA -0.517 54.283 54.840 -0.065 0.000 0.804 -5 L CB 1.482 43.513 42.059 -0.047 0.000 1.203 -5 L HN 0.555 nan 8.230 nan 0.000 0.440 -4 S N 0.631 116.327 115.700 -0.007 0.000 2.584 -4 S HA 0.145 4.615 4.470 -0.000 0.000 0.270 -4 S C 0.921 175.513 174.600 -0.012 0.000 1.346 -4 S CA -0.047 58.155 58.200 0.003 0.000 1.018 -4 S CB 1.274 64.469 63.200 -0.010 0.000 0.899 -4 S HN 0.885 nan 8.310 nan 0.000 0.542 -3 G N -0.192 108.606 108.800 -0.005 0.000 2.939 -3 G HA2 0.355 4.315 3.960 -0.000 0.000 0.216 -3 G HA3 0.355 4.315 3.960 -0.000 0.000 0.216 -3 G C 0.153 175.043 174.900 -0.016 0.000 1.125 -3 G CA 0.007 45.103 45.100 -0.007 0.000 0.766 -3 G HN 0.637 nan 8.290 nan 0.000 0.541 -2 S N -1.550 114.136 115.700 -0.022 0.000 2.537 -2 S HA 0.607 5.077 4.470 -0.000 0.000 0.270 -2 S C 0.179 174.756 174.600 -0.037 0.000 1.142 -2 S CA 0.777 58.961 58.200 -0.028 0.000 0.870 -2 S CB 0.946 64.138 63.200 -0.015 0.000 1.112 -2 S HN 1.663 nan 8.310 nan 0.000 0.466 -1 G N 2.664 111.437 108.800 -0.046 0.000 2.593 -1 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.237 -1 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.237 -1 G C 0.233 175.084 174.900 -0.081 0.000 1.312 -1 G CA 0.128 45.197 45.100 -0.052 0.000 0.896 -1 G HN 2.085 nan 8.290 nan 0.000 0.574 4 T N 2.897 117.421 114.554 -0.050 0.000 2.916 4 T HA 0.967 5.317 4.350 -0.000 0.000 0.292 4 T C -0.909 173.812 174.700 0.035 0.000 1.055 4 T CA -0.398 61.703 62.100 0.002 0.000 1.009 4 T CB 2.440 71.325 68.868 0.028 0.000 1.118 4 T HN 0.923 nan 8.240 nan 0.000 0.497 5 A N 1.881 124.742 122.820 0.067 0.000 2.556 5 A HA 0.907 5.227 4.320 -0.000 0.000 0.294 5 A C -1.541 176.143 177.584 0.167 0.000 1.091 5 A CA -1.070 51.002 52.037 0.058 0.000 0.704 5 A CB 1.264 20.262 19.000 -0.004 0.000 1.300 5 A HN 1.491 nan 8.150 nan 0.000 0.406 6 Y N -0.709 119.591 120.300 -0.000 0.000 2.597 6 Y HA 0.767 5.317 4.550 -0.000 0.000 0.340 6 Y C -0.149 175.753 175.900 0.003 0.000 1.097 6 Y CA -0.609 57.494 58.100 0.005 0.000 1.037 6 Y CB 1.109 39.570 38.460 0.002 0.000 1.305 6 Y HN 0.875 nan 8.280 nan 0.000 0.463 7 S N 1.389 117.151 115.700 0.103 0.000 2.565 7 S HA 0.667 5.136 4.470 -0.000 0.000 0.290 7 S C -1.057 173.580 174.600 0.062 0.000 1.150 7 S CA -0.862 57.343 58.200 0.008 0.000 1.058 7 S CB 1.641 64.860 63.200 0.031 0.000 1.032 7 S HN 0.738 nan 8.310 nan 0.000 0.510 8 Q N 1.127 120.921 119.800 -0.009 0.000 2.321 8 Q HA 0.381 4.721 4.340 -0.000 0.000 0.270 8 Q C -1.208 174.790 176.000 -0.003 0.000 1.032 8 Q CA -0.419 55.399 55.803 0.025 0.000 0.784 8 Q CB 2.422 31.166 28.738 0.010 0.000 1.264 8 Q HN 0.803 nan 8.270 nan 0.000 0.448 9 Q N 1.211 121.016 119.800 0.008 0.000 2.290 9 Q HA 0.279 4.619 4.340 -0.000 0.000 0.259 9 Q C 0.135 176.129 176.000 -0.010 0.000 0.941 9 Q CA -0.112 55.687 55.803 -0.006 0.000 0.912 9 Q CB 1.138 29.877 28.738 0.002 0.000 1.244 9 Q HN 0.849 nan 8.270 nan 0.000 0.441 10 T N 0.739 115.279 114.554 -0.023 0.000 3.015 10 T HA 0.333 4.682 4.350 -0.000 0.000 0.250 10 T C 0.481 175.166 174.700 -0.025 0.000 1.057 10 T CA -0.069 62.017 62.100 -0.024 0.000 1.066 10 T CB 0.399 69.247 68.868 -0.034 0.000 0.959 10 T HN 0.475 nan 8.240 nan 0.000 0.488 11 R N -0.128 120.355 120.500 -0.028 0.000 2.750 11 R HA 0.631 4.971 4.340 -0.000 0.000 0.281 11 R C -0.539 175.750 176.300 -0.019 0.000 0.972 11 R CA -0.817 55.267 56.100 -0.026 0.000 0.912 11 R CB 2.090 32.369 30.300 -0.036 0.000 1.187 11 R HN 0.236 nan 8.270 nan 0.000 0.464 12 G N 2.181 110.973 108.800 -0.013 0.000 4.766 12 G HA2 0.342 4.302 3.960 -0.000 0.000 0.331 12 G HA3 0.342 4.302 3.960 -0.000 0.000 0.331 12 G C 0.334 175.231 174.900 -0.007 0.000 1.473 12 G CA -0.219 44.877 45.100 -0.007 0.000 1.076 12 G HN 0.574 nan 8.290 nan 0.000 0.544 13 L N -0.011 121.206 121.223 -0.010 0.000 5.308 13 L HA -0.316 4.024 4.340 -0.000 0.000 0.421 13 L C 1.673 178.538 176.870 -0.008 0.000 0.927 13 L CA 2.673 57.509 54.840 -0.007 0.000 1.529 13 L CB -1.579 40.479 42.059 -0.001 0.000 1.599 13 L HN 0.458 nan 8.230 nan 0.000 0.629 14 L N -1.198 120.019 121.223 -0.009 0.000 1.884 14 L HA 0.223 4.563 4.340 -0.000 0.000 0.236 14 L C 2.273 179.135 176.870 -0.013 0.000 1.088 14 L CA 2.051 56.885 54.840 -0.009 0.000 0.841 14 L CB -1.969 40.085 42.059 -0.010 0.000 0.900 14 L HN 0.153 nan 8.230 nan 0.000 0.427 15 G N -1.868 106.922 108.800 -0.017 0.000 2.615 15 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.213 15 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.213 15 G C 1.395 176.278 174.900 -0.028 0.000 1.135 15 G CA 0.753 45.839 45.100 -0.022 0.000 0.772 15 G HN 0.704 nan 8.290 nan 0.000 0.542 16 C N -0.056 119.228 119.300 -0.026 0.000 3.688 16 C HA 0.042 4.502 4.460 -0.000 0.000 0.294 16 C C 2.632 177.608 174.990 -0.023 0.000 1.278 16 C CA 0.916 59.916 59.018 -0.031 0.000 1.778 16 C CB -0.844 26.880 27.740 -0.027 0.000 2.148 16 C HN 0.360 nan 8.230 nan 0.000 0.473 17 I N 1.240 121.802 120.570 -0.013 0.000 2.423 17 I HA -0.130 4.040 4.170 -0.000 0.000 0.254 17 I C 1.975 178.088 176.117 -0.006 0.000 1.151 17 I CA 1.441 62.737 61.300 -0.006 0.000 1.421 17 I CB -0.618 37.382 38.000 0.001 0.000 1.079 17 I HN 0.384 nan 8.210 nan 0.000 0.431 18 I N -0.359 120.206 120.570 -0.009 0.000 2.110 18 I HA -0.277 3.893 4.170 -0.000 0.000 0.236 18 I C 2.393 178.502 176.117 -0.013 0.000 1.068 18 I CA 1.734 63.029 61.300 -0.008 0.000 1.333 18 I CB -1.021 36.975 38.000 -0.008 0.000 1.054 18 I HN 0.086 nan 8.210 nan 0.000 0.402 19 T N -0.470 114.070 114.554 -0.023 0.000 2.929 19 T HA -0.194 4.156 4.350 -0.000 0.000 0.271 19 T C 2.094 176.774 174.700 -0.033 0.000 1.085 19 T CA 1.461 63.542 62.100 -0.032 0.000 1.125 19 T CB -0.374 68.466 68.868 -0.046 0.000 0.874 19 T HN 0.308 nan 8.240 nan 0.000 0.494 20 S N 0.257 115.940 115.700 -0.028 0.000 2.407 20 S HA -0.094 4.376 4.470 -0.000 0.000 0.235 20 S C 1.707 176.300 174.600 -0.011 0.000 1.036 20 S CA 0.822 59.009 58.200 -0.021 0.000 1.013 20 S CB -0.217 62.977 63.200 -0.010 0.000 0.820 20 S HN 0.229 nan 8.310 nan 0.000 0.476 21 L N 0.401 121.620 121.223 -0.007 0.000 2.276 21 L HA 0.101 4.441 4.340 -0.000 0.000 0.194 21 L C 2.943 179.812 176.870 -0.002 0.000 1.099 21 L CA 2.021 56.862 54.840 0.001 0.000 0.800 21 L CB -2.114 39.949 42.059 0.007 0.000 0.994 21 L HN 0.440 nan 8.230 nan 0.000 0.475 22 T N -0.380 114.171 114.554 -0.005 0.000 2.685 22 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 22 T C 1.535 176.228 174.700 -0.012 0.000 1.034 22 T CA 2.344 64.440 62.100 -0.006 0.000 1.149 22 T CB -0.409 68.453 68.868 -0.010 0.000 0.860 22 T HN 0.607 nan 8.240 nan 0.000 0.449 23 G N 0.979 109.766 108.800 -0.022 0.000 2.168 23 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.263 23 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.263 23 G C 0.189 175.065 174.900 -0.040 0.000 0.977 23 G CA 0.507 45.588 45.100 -0.033 0.000 0.659 23 G HN 0.907 nan 8.290 nan 0.000 0.533 24 R N 0.489 120.968 120.500 -0.035 0.000 2.265 24 R HA 0.510 4.850 4.340 -0.000 0.000 0.328 24 R C -1.489 174.785 176.300 -0.044 0.000 0.969 24 R CA -0.648 55.430 56.100 -0.037 0.000 0.832 24 R CB 0.620 30.906 30.300 -0.024 0.000 1.139 24 R HN 0.083 nan 8.270 nan 0.000 0.457 25 D N 3.076 123.443 120.400 -0.056 0.000 2.427 25 D HA 0.166 4.806 4.640 -0.000 0.000 0.226 25 D C 0.015 176.284 176.300 -0.051 0.000 1.076 25 D CA -0.388 53.575 54.000 -0.062 0.000 0.849 25 D CB 1.487 42.234 40.800 -0.088 0.000 1.052 25 D HN 0.265 nan 8.370 nan 0.000 0.515 26 K N 1.534 121.910 120.400 -0.040 0.000 2.487 26 K HA 0.180 4.500 4.320 -0.000 0.000 0.192 26 K C -0.286 176.294 176.600 -0.033 0.000 1.027 26 K CA 0.047 56.315 56.287 -0.032 0.000 1.054 26 K CB -0.239 32.246 32.500 -0.025 0.000 0.824 26 K HN 0.404 nan 8.250 nan 0.000 0.510 27 N N 1.224 119.900 118.700 -0.040 0.000 2.518 27 N HA 0.048 4.788 4.740 -0.000 0.000 0.283 27 N C -0.718 174.766 175.510 -0.043 0.000 1.119 27 N CA -0.381 52.645 53.050 -0.039 0.000 0.983 27 N CB 0.751 39.212 38.487 -0.043 0.000 1.139 27 N HN 0.105 nan 8.380 nan 0.000 0.465 28 Q N 0.246 120.025 119.800 -0.035 0.000 2.327 28 Q HA 0.317 4.657 4.340 -0.000 0.000 0.254 28 Q C -0.896 175.080 176.000 -0.039 0.000 0.952 28 Q CA -0.616 55.167 55.803 -0.033 0.000 0.884 28 Q CB 0.852 29.576 28.738 -0.024 0.000 1.224 28 Q HN 0.186 nan 8.270 nan 0.000 0.422 29 V N 3.164 123.053 119.914 -0.041 0.000 2.368 29 V HA 0.205 4.325 4.120 -0.000 0.000 0.266 29 V C -0.160 175.914 176.094 -0.034 0.000 1.045 29 V CA -0.184 62.089 62.300 -0.046 0.000 0.899 29 V CB 0.397 32.188 31.823 -0.053 0.000 1.006 29 V HN 0.813 nan 8.190 nan 0.000 0.470 30 E N 2.778 122.957 120.200 -0.036 0.000 2.281 30 E HA 0.767 5.117 4.350 -0.000 0.000 0.262 30 E C 0.360 176.937 176.600 -0.037 0.000 0.933 30 E CA -0.120 56.262 56.400 -0.030 0.000 0.809 30 E CB 2.173 31.858 29.700 -0.026 0.000 1.242 30 E HN 0.949 nan 8.360 nan 0.000 0.418 31 G N 1.104 109.885 108.800 -0.031 0.000 2.757 31 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.638 31 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.638 31 G C 0.285 175.173 174.900 -0.019 0.000 1.344 31 G CA 0.084 45.162 45.100 -0.038 0.000 0.855 31 G HN 0.668 nan 8.290 nan 0.000 0.537 32 E N -1.771 118.421 120.200 -0.014 0.000 2.485 32 E HA 0.246 4.596 4.350 -0.000 0.000 0.213 32 E C 0.584 177.196 176.600 0.020 0.000 0.923 32 E CA 0.526 56.935 56.400 0.014 0.000 1.054 32 E CB 0.874 30.591 29.700 0.029 0.000 1.077 32 E HN 0.591 nan 8.360 nan 0.000 0.509 33 V N 3.540 123.450 119.914 -0.007 0.000 2.334 33 V HA 0.198 4.318 4.120 -0.000 0.000 0.281 33 V C -0.479 175.594 176.094 -0.035 0.000 1.016 33 V CA -0.701 61.596 62.300 -0.005 0.000 0.832 33 V CB 1.349 33.166 31.823 -0.011 0.000 0.999 33 V HN 0.101 nan 8.190 nan 0.000 0.439 34 Q N 3.429 123.208 119.800 -0.034 0.000 2.241 34 Q HA 0.470 4.810 4.340 -0.000 0.000 0.254 34 Q C -0.400 175.540 176.000 -0.100 0.000 0.917 34 Q CA -0.560 55.197 55.803 -0.076 0.000 0.919 34 Q CB 2.156 30.835 28.738 -0.097 0.000 1.237 34 Q HN 0.479 nan 8.270 nan 0.000 0.434 35 V N 3.750 123.596 119.914 -0.113 0.000 2.389 35 V HA 0.265 4.384 4.120 -0.000 0.000 0.264 35 V C 0.336 176.314 176.094 -0.194 0.000 1.049 35 V CA -0.399 61.821 62.300 -0.134 0.000 0.932 35 V CB 0.811 32.575 31.823 -0.098 0.000 1.011 35 V HN 0.586 nan 8.190 nan 0.000 0.475 36 V N 2.845 122.574 119.914 -0.309 0.000 3.019 36 V HA 1.011 5.131 4.120 -0.000 0.000 0.317 36 V C -0.309 175.531 176.094 -0.424 0.000 1.094 36 V CA -0.494 61.565 62.300 -0.401 0.000 1.000 36 V CB 2.176 33.679 31.823 -0.534 0.000 1.060 36 V HN 0.784 nan 8.190 nan 0.000 0.443 37 S N 0.762 116.282 115.700 -0.301 0.000 2.535 37 S HA 0.740 5.210 4.470 -0.000 0.000 0.272 37 S C -0.349 174.214 174.600 -0.060 0.000 1.149 37 S CA 0.129 58.249 58.200 -0.134 0.000 0.888 37 S CB 1.796 64.950 63.200 -0.076 0.000 1.110 37 S HN 1.787 nan 8.310 nan 0.000 0.463 38 T N 1.054 115.634 114.554 0.043 0.000 2.855 38 T HA 0.775 5.125 4.350 -0.000 0.000 0.275 38 T C 1.665 176.387 174.700 0.035 0.000 1.022 38 T CA -0.072 62.057 62.100 0.049 0.000 0.977 38 T CB 0.220 69.149 68.868 0.101 0.000 1.559 38 T HN 1.028 nan 8.240 nan 0.000 0.600 39 A N 0.535 123.375 122.820 0.033 0.000 1.902 39 A HA 0.014 4.334 4.320 -0.000 0.000 0.217 39 A C 2.457 180.062 177.584 0.035 0.000 1.181 39 A CA 2.388 54.441 52.037 0.026 0.000 0.623 39 A CB -1.680 17.334 19.000 0.023 0.000 0.818 39 A HN 1.023 nan 8.150 nan 0.000 0.443 40 T N -3.783 110.799 114.554 0.047 0.000 3.033 40 T HA 0.198 4.548 4.350 -0.000 0.000 0.248 40 T C 0.873 175.615 174.700 0.070 0.000 1.040 40 T CA 0.632 62.761 62.100 0.049 0.000 1.133 40 T CB -0.042 68.850 68.868 0.040 0.000 0.895 40 T HN 0.429 nan 8.240 nan 0.000 0.465 41 Q N 0.517 120.382 119.800 0.107 0.000 2.365 41 Q HA 0.622 4.961 4.340 -0.000 0.000 0.269 41 Q C -1.608 174.538 176.000 0.244 0.000 1.061 41 Q CA -0.664 55.237 55.803 0.164 0.000 0.816 41 Q CB 2.228 31.058 28.738 0.154 0.000 1.325 41 Q HN 0.283 nan 8.270 nan 0.000 0.446 42 S N 2.478 118.330 115.700 0.253 0.000 2.513 42 S HA 0.878 5.348 4.470 -0.000 0.000 0.299 42 S C -1.302 173.527 174.600 0.382 0.000 1.087 42 S CA -0.398 57.927 58.200 0.209 0.000 1.012 42 S CB 0.525 63.767 63.200 0.069 0.000 1.044 42 S HN 0.533 nan 8.310 nan 0.000 0.485 43 F N 1.784 121.736 119.950 0.004 0.000 3.630 43 F HA 0.699 5.225 4.527 -0.000 0.000 0.329 43 F C -2.025 173.783 175.800 0.013 0.000 1.149 43 F CA -1.278 56.730 58.000 0.013 0.000 0.876 43 F CB 0.381 39.394 39.000 0.022 0.000 1.619 43 F HN 0.434 nan 8.300 nan 0.000 0.515 44 L N 0.848 122.149 121.223 0.130 0.000 2.309 44 L HA 0.962 5.302 4.340 -0.000 0.000 0.261 44 L C -0.863 176.063 176.870 0.093 0.000 1.021 44 L CA -1.222 53.631 54.840 0.022 0.000 0.823 44 L CB 1.975 44.085 42.059 0.085 0.000 1.366 44 L HN 1.004 nan 8.230 nan 0.000 0.423 45 A N 0.101 122.957 122.820 0.059 0.000 2.520 45 A HA 0.801 5.121 4.320 -0.000 0.000 0.298 45 A C -1.008 176.661 177.584 0.143 0.000 1.051 45 A CA -0.407 51.719 52.037 0.149 0.000 0.690 45 A CB 1.914 20.986 19.000 0.121 0.000 1.281 45 A HN 0.546 nan 8.150 nan 0.000 0.402 46 T N 1.466 116.154 114.554 0.223 0.000 2.809 46 T HA 0.385 4.735 4.350 -0.000 0.000 0.284 46 T C -0.496 174.375 174.700 0.285 0.000 0.992 46 T CA -0.186 62.038 62.100 0.206 0.000 0.957 46 T CB 0.535 69.515 68.868 0.188 0.000 0.942 46 T HN 0.717 nan 8.240 nan 0.000 0.439 47 C N 4.274 123.693 119.300 0.200 0.000 2.482 47 C HA 0.625 5.085 4.460 -0.000 0.000 0.378 47 C C 0.376 175.512 174.990 0.245 0.000 1.284 47 C CA -0.628 58.517 59.018 0.213 0.000 1.826 47 C CB -1.353 26.455 27.740 0.114 0.000 2.473 47 C HN 0.662 nan 8.230 nan 0.000 0.562 48 V N 4.786 124.927 119.914 0.378 0.000 2.733 48 V HA 0.455 4.575 4.120 -0.000 0.000 0.306 48 V C -0.221 176.073 176.094 0.333 0.000 1.084 48 V CA -0.760 61.714 62.300 0.289 0.000 0.905 48 V CB 1.834 33.762 31.823 0.175 0.000 1.010 48 V HN 0.871 nan 8.190 nan 0.000 0.424 49 N N 2.988 121.799 118.700 0.185 0.000 2.727 49 N HA -0.199 4.541 4.740 -0.000 0.000 0.249 49 N C 1.147 176.748 175.510 0.152 0.000 1.048 49 N CA 1.577 54.719 53.050 0.154 0.000 0.714 49 N CB -0.944 37.639 38.487 0.160 0.000 0.959 49 N HN 1.762 nan 8.380 nan 0.000 0.544 50 G N -2.151 106.723 108.800 0.124 0.000 2.258 50 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.274 50 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.274 50 G C -0.083 174.854 174.900 0.062 0.000 1.021 50 G CA 0.541 45.693 45.100 0.085 0.000 0.798 50 G HN 0.553 nan 8.290 nan 0.000 0.507 51 V N -0.086 119.864 119.914 0.060 0.000 2.525 51 V HA 0.430 4.550 4.120 -0.000 0.000 0.299 51 V C 0.675 176.595 176.094 -0.291 0.000 1.034 51 V CA -0.839 61.350 62.300 -0.185 0.000 0.863 51 V CB 1.761 33.301 31.823 -0.471 0.000 0.999 51 V HN 0.482 nan 8.190 nan 0.000 0.423 52 C N 6.921 126.123 119.300 -0.163 0.000 2.624 52 C HA 0.415 4.875 4.460 -0.000 0.000 0.397 52 C C -0.384 174.587 174.990 -0.031 0.000 1.331 52 C CA -0.680 58.349 59.018 0.018 0.000 1.716 52 C CB -1.243 26.582 27.740 0.142 0.000 2.452 52 C HN 0.800 nan 8.230 nan 0.000 0.586 53 W N 4.530 125.944 121.300 0.190 0.000 2.606 53 W HA 0.644 5.303 4.660 -0.000 0.000 0.332 53 W C 0.522 177.154 176.519 0.188 0.000 1.052 53 W CA -0.311 57.121 57.345 0.145 0.000 1.223 53 W CB 1.567 31.070 29.460 0.072 0.000 1.383 53 W HN 0.644 nan 8.180 nan 0.000 0.524 54 T N 0.098 114.902 114.554 0.416 0.000 2.626 54 T HA 0.528 4.878 4.350 -0.000 0.000 0.299 54 T C -1.245 173.588 174.700 0.221 0.000 1.181 54 T CA -0.642 61.668 62.100 0.350 0.000 1.053 54 T CB 0.476 69.634 68.868 0.483 0.000 1.566 54 T HN 0.400 nan 8.240 nan 0.000 0.486 55 V N 1.564 121.543 119.914 0.108 0.000 2.567 55 V HA 0.522 4.642 4.120 -0.000 0.000 0.289 55 V C 0.998 177.033 176.094 -0.099 0.000 1.049 55 V CA -0.478 61.777 62.300 -0.075 0.000 0.969 55 V CB 0.831 32.396 31.823 -0.431 0.000 0.995 55 V HN 0.919 nan 8.190 nan 0.000 0.471 56 Y N 3.981 124.207 120.300 -0.123 0.000 2.181 56 Y HA -0.223 4.326 4.550 -0.000 0.000 0.288 56 Y C 2.659 178.486 175.900 -0.121 0.000 1.146 56 Y CA 2.551 60.596 58.100 -0.092 0.000 1.164 56 Y CB -0.419 38.018 38.460 -0.038 0.000 0.982 56 Y HN 0.941 nan 8.280 nan 0.000 0.515 57 H N -2.456 116.584 119.070 -0.050 0.000 2.492 57 H HA -0.066 4.489 4.556 -0.000 0.000 0.296 57 H C 1.916 177.057 175.328 -0.313 0.000 1.095 57 H CA 1.278 57.225 56.048 -0.169 0.000 1.281 57 H CB -0.554 29.147 29.762 -0.101 0.000 1.374 57 H HN 0.470 nan 8.280 nan 0.000 0.545 58 G N -0.271 108.104 108.800 -0.707 0.000 2.673 58 G HA2 0.256 4.216 3.960 -0.000 0.000 0.208 58 G HA3 0.256 4.216 3.960 -0.000 0.000 0.208 58 G C 1.623 176.215 174.900 -0.513 0.000 1.128 58 G CA 0.400 44.959 45.100 -0.902 0.000 0.805 58 G HN 0.581 nan 8.290 nan 0.000 0.526 59 A N -0.508 122.191 122.820 -0.202 0.000 2.288 59 A HA 0.564 4.884 4.320 -0.000 0.000 0.216 59 A C 1.814 179.370 177.584 -0.046 0.000 1.199 59 A CA 1.251 53.382 52.037 0.156 0.000 0.891 59 A CB -0.292 18.989 19.000 0.468 0.000 0.923 59 A HN 1.543 nan 8.150 nan 0.000 0.500 60 G N -0.077 108.488 108.800 -0.392 0.000 2.611 60 G HA2 -0.317 3.642 3.960 -0.000 0.000 0.301 60 G HA3 -0.317 3.642 3.960 -0.000 0.000 0.301 60 G C 0.879 175.654 174.900 -0.208 0.000 1.233 60 G CA 0.641 45.350 45.100 -0.651 0.000 0.993 60 G HN 0.787 nan 8.290 nan 0.000 0.553 61 S N 1.073 116.760 115.700 -0.021 0.000 2.554 61 S HA 0.234 4.703 4.470 -0.000 0.000 0.226 61 S C 0.801 175.454 174.600 0.088 0.000 0.980 61 S CA 0.199 58.441 58.200 0.071 0.000 0.939 61 S CB 0.129 63.387 63.200 0.096 0.000 0.832 61 S HN 0.552 nan 8.310 nan 0.000 0.486 62 K N 3.436 123.908 120.400 0.120 0.000 2.524 62 K HA 0.015 4.335 4.320 -0.000 0.000 0.279 62 K C 0.827 177.641 176.600 0.356 0.000 0.993 62 K CA 0.264 56.663 56.287 0.187 0.000 1.030 62 K CB 0.191 32.797 32.500 0.176 0.000 0.891 62 K HN 0.355 nan 8.250 nan 0.000 0.488 63 T N 0.342 115.058 114.554 0.271 0.000 2.795 63 T HA 0.146 4.495 4.350 -0.000 0.000 0.314 63 T C 0.016 174.820 174.700 0.173 0.000 1.069 63 T CA -0.850 61.449 62.100 0.332 0.000 1.071 63 T CB 0.577 69.532 68.868 0.145 0.000 0.988 63 T HN 0.314 nan 8.240 nan 0.000 0.543 64 L N 1.764 122.911 121.223 -0.126 0.000 2.295 64 L HA 0.678 5.018 4.340 -0.000 0.000 0.285 64 L C 0.235 176.916 176.870 -0.316 0.000 1.035 64 L CA -0.519 53.930 54.840 -0.653 0.000 0.806 64 L CB 0.681 41.869 42.059 -1.452 0.000 1.214 64 L HN 1.032 nan 8.230 nan 0.000 0.426 65 A N 3.301 125.959 122.820 -0.270 0.000 2.388 65 A HA 0.763 5.083 4.320 -0.000 0.000 0.257 65 A C 0.332 177.816 177.584 -0.167 0.000 1.095 65 A CA 0.541 52.478 52.037 -0.166 0.000 0.791 65 A CB 0.214 19.135 19.000 -0.131 0.000 1.029 65 A HN 1.005 nan 8.150 nan 0.000 0.489 66 G N 0.524 109.257 108.800 -0.111 0.000 2.664 66 G HA2 0.588 4.548 3.960 -0.000 0.000 0.303 66 G HA3 0.588 4.548 3.960 -0.000 0.000 0.303 66 G C -2.441 172.422 174.900 -0.060 0.000 1.243 66 G CA 0.150 45.194 45.100 -0.093 0.000 0.826 66 G HN 0.381 nan 8.290 nan 0.000 0.498 67 P HA -0.020 nan 4.420 nan 0.000 0.208 67 P C 0.570 177.855 177.300 -0.025 0.000 1.200 67 P CA 1.153 64.233 63.100 -0.033 0.000 0.924 67 P CB 0.157 31.840 31.700 -0.028 0.000 0.774 68 K N 0.940 121.327 120.400 -0.021 0.000 3.000 68 K HA 0.297 4.617 4.320 -0.000 0.000 0.265 68 K C 1.064 177.655 176.600 -0.014 0.000 1.260 68 K CA 0.083 56.362 56.287 -0.014 0.000 1.209 68 K CB -1.119 31.375 32.500 -0.009 0.000 1.484 68 K HN 0.295 nan 8.250 nan 0.000 0.283 69 G N 2.100 110.888 108.800 -0.019 0.000 2.598 69 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.269 69 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.269 69 G C -2.394 172.491 174.900 -0.025 0.000 1.289 69 G CA -1.086 44.002 45.100 -0.020 0.000 0.926 69 G HN 0.266 nan 8.290 nan 0.000 0.567 70 P HA 0.322 nan 4.420 nan 0.000 0.266 70 P C -0.019 177.283 177.300 0.003 0.000 1.193 70 P CA 0.453 63.545 63.100 -0.013 0.000 0.770 70 P CB 0.269 31.974 31.700 0.009 0.000 0.836 71 I N 1.454 122.031 120.570 0.011 0.000 2.418 71 I HA 0.205 4.375 4.170 -0.000 0.000 0.287 71 I C 0.387 176.621 176.117 0.196 0.000 1.008 71 I CA -0.526 60.814 61.300 0.066 0.000 1.104 71 I CB 1.715 39.734 38.000 0.031 0.000 1.264 71 I HN 0.137 nan 8.210 nan 0.000 0.438 72 T N 5.092 119.738 114.554 0.153 0.000 2.919 72 T HA 0.112 4.461 4.350 -0.000 0.000 0.302 72 T C 0.133 174.926 174.700 0.154 0.000 1.031 72 T CA -0.329 61.856 62.100 0.142 0.000 1.127 72 T CB 0.477 69.375 68.868 0.050 0.000 0.952 72 T HN 0.496 nan 8.240 nan 0.000 0.540 73 Q N 2.063 121.866 119.800 0.004 0.000 2.330 73 Q HA 0.071 4.411 4.340 -0.000 0.000 0.279 73 Q C 1.009 176.858 176.000 -0.251 0.000 1.024 73 Q CA -0.162 55.440 55.803 -0.335 0.000 0.900 73 Q CB 0.507 28.953 28.738 -0.487 0.000 1.221 73 Q HN 0.566 nan 8.270 nan 0.000 0.396 74 M N 1.327 120.738 119.600 -0.316 0.000 2.534 74 M HA 0.117 4.597 4.480 -0.000 0.000 0.263 74 M C -0.358 175.508 176.300 -0.724 0.000 1.152 74 M CA 1.009 56.030 55.300 -0.466 0.000 1.145 74 M CB -0.022 32.292 32.600 -0.477 0.000 1.333 74 M HN 0.443 nan 8.290 nan 0.000 0.477 75 Y N 0.772 120.915 120.300 -0.262 0.000 2.442 75 Y HA 0.519 5.069 4.550 -0.000 0.000 0.344 75 Y C -0.174 175.614 175.900 -0.187 0.000 0.976 75 Y CA -1.257 56.732 58.100 -0.185 0.000 1.040 75 Y CB 1.802 40.180 38.460 -0.137 0.000 1.228 75 Y HN 0.044 nan 8.280 nan 0.000 0.451 76 T N -0.006 114.560 114.554 0.020 0.000 3.187 76 T HA 0.289 4.639 4.350 -0.000 0.000 0.328 76 T C -1.259 173.406 174.700 -0.059 0.000 0.951 76 T CA -0.849 61.227 62.100 -0.040 0.000 1.049 76 T CB 0.662 69.481 68.868 -0.083 0.000 1.015 76 T HN 0.517 nan 8.240 nan 0.000 0.461 77 N N 3.229 121.901 118.700 -0.047 0.000 2.790 77 N HA 0.221 4.961 4.740 -0.000 0.000 0.256 77 N C 1.091 176.512 175.510 -0.148 0.000 1.409 77 N CA -0.578 52.427 53.050 -0.076 0.000 0.799 77 N CB 0.859 39.348 38.487 0.003 0.000 1.170 77 N HN 0.362 nan 8.380 nan 0.000 0.507 78 V N 1.562 121.287 119.914 -0.316 0.000 2.278 78 V HA -0.290 3.830 4.120 -0.000 0.000 0.251 78 V C 1.489 177.480 176.094 -0.171 0.000 1.062 78 V CA 2.026 64.086 62.300 -0.399 0.000 1.038 78 V CB -0.367 31.162 31.823 -0.489 0.000 0.646 78 V HN 0.501 nan 8.190 nan 0.000 0.447 79 D N -0.500 119.824 120.400 -0.126 0.000 2.158 79 D HA -0.159 4.481 4.640 -0.000 0.000 0.197 79 D C 2.199 178.465 176.300 -0.056 0.000 0.995 79 D CA 1.188 55.143 54.000 -0.076 0.000 0.846 79 D CB -0.154 40.605 40.800 -0.068 0.000 0.941 79 D HN 0.509 nan 8.370 nan 0.000 0.456 80 Q N -0.181 119.587 119.800 -0.053 0.000 2.282 80 Q HA 0.039 4.378 4.340 -0.000 0.000 0.206 80 Q C -0.130 175.867 176.000 -0.006 0.000 0.878 80 Q CA 0.103 55.883 55.803 -0.037 0.000 0.944 80 Q CB 0.962 29.674 28.738 -0.044 0.000 1.100 80 Q HN 0.135 nan 8.270 nan 0.000 0.509 81 D N 0.497 120.902 120.400 0.009 0.000 2.772 81 D HA -0.190 4.450 4.640 -0.000 0.000 0.233 81 D C -1.303 175.057 176.300 0.100 0.000 1.143 81 D CA 0.408 54.459 54.000 0.085 0.000 0.700 81 D CB -1.071 39.797 40.800 0.113 0.000 1.076 81 D HN 0.226 nan 8.370 nan 0.000 0.430 82 L N 0.031 121.306 121.223 0.087 0.000 2.410 82 L HA 0.716 5.055 4.340 -0.000 0.000 0.270 82 L C -0.705 176.264 176.870 0.164 0.000 0.983 82 L CA -0.769 54.153 54.840 0.137 0.000 0.822 82 L CB 2.027 44.150 42.059 0.107 0.000 1.285 82 L HN 0.031 nan 8.230 nan 0.000 0.409 83 V N 1.129 121.137 119.914 0.157 0.000 3.001 83 V HA 1.100 5.219 4.120 -0.000 0.000 0.314 83 V C -0.353 175.665 176.094 -0.127 0.000 1.099 83 V CA -0.052 62.237 62.300 -0.019 0.000 0.989 83 V CB 1.651 33.352 31.823 -0.204 0.000 1.040 83 V HN 1.013 nan 8.190 nan 0.000 0.434 84 G N 1.571 110.115 108.800 -0.427 0.000 2.753 84 G HA2 0.555 4.515 3.960 -0.000 0.000 0.295 84 G HA3 0.555 4.515 3.960 -0.000 0.000 0.295 84 G C -1.285 173.287 174.900 -0.546 0.000 1.437 84 G CA -0.621 44.095 45.100 -0.640 0.000 1.094 84 G HN 0.771 nan 8.290 nan 0.000 0.540 85 W N 0.804 121.984 121.300 -0.201 0.000 2.436 85 W HA 0.449 5.108 4.660 -0.000 0.000 0.347 85 W C 0.456 176.874 176.519 -0.169 0.000 1.136 85 W CA -0.771 56.486 57.345 -0.146 0.000 1.286 85 W CB 1.339 30.740 29.460 -0.097 0.000 1.253 85 W HN 0.503 nan 8.180 nan 0.000 0.617 86 Q N 1.264 121.137 119.800 0.122 0.000 2.311 86 Q HA 0.343 4.682 4.340 -0.000 0.000 0.272 86 Q C 0.015 176.045 176.000 0.049 0.000 1.012 86 Q CA -0.144 55.689 55.803 0.051 0.000 0.891 86 Q CB 0.886 29.646 28.738 0.037 0.000 1.201 86 Q HN 0.449 nan 8.270 nan 0.000 0.391 87 A N 6.799 129.634 122.820 0.025 0.000 2.515 87 A HA 0.248 4.568 4.320 -0.000 0.000 0.263 87 A C -2.011 175.576 177.584 0.005 0.000 1.096 87 A CA -1.118 50.930 52.037 0.017 0.000 0.769 87 A CB -0.438 18.576 19.000 0.024 0.000 1.040 87 A HN 0.675 nan 8.150 nan 0.000 0.505 88 P HA 0.186 nan 4.420 nan 0.000 0.271 88 P C -2.659 174.629 177.300 -0.021 0.000 1.233 88 P CA -1.246 61.836 63.100 -0.030 0.000 0.789 88 P CB -0.673 30.989 31.700 -0.063 0.000 0.951 89 P HA -0.031 nan 4.420 nan 0.000 0.259 89 P C 1.063 178.354 177.300 -0.015 0.000 1.163 89 P CA 1.826 64.917 63.100 -0.015 0.000 0.760 89 P CB -0.489 31.201 31.700 -0.018 0.000 0.762 90 G N 2.125 110.920 108.800 -0.008 0.000 2.162 90 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.260 90 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.260 90 G C 0.355 175.250 174.900 -0.007 0.000 0.976 90 G CA -0.021 45.075 45.100 -0.007 0.000 0.655 90 G HN 0.868 nan 8.290 nan 0.000 0.533 91 A N 0.758 123.574 122.820 -0.005 0.000 2.302 91 A HA 0.717 5.037 4.320 -0.000 0.000 0.295 91 A C 0.823 178.415 177.584 0.013 0.000 1.235 91 A CA -0.007 52.030 52.037 -0.001 0.000 0.876 91 A CB 0.204 19.201 19.000 -0.004 0.000 1.133 91 A HN 0.808 nan 8.150 nan 0.000 0.533 92 R N 2.181 122.690 120.500 0.015 0.000 2.500 92 R HA 0.670 5.009 4.340 -0.000 0.000 0.277 92 R C -0.521 175.803 176.300 0.040 0.000 1.026 92 R CA -0.461 55.654 56.100 0.025 0.000 1.058 92 R CB 0.821 31.133 30.300 0.020 0.000 1.078 92 R HN 0.452 nan 8.270 nan 0.000 0.509 93 S N 1.526 117.258 115.700 0.053 0.000 2.681 93 S HA 0.461 4.930 4.470 -0.000 0.000 0.299 93 S C 0.096 174.738 174.600 0.071 0.000 1.113 93 S CA -0.932 57.313 58.200 0.076 0.000 1.013 93 S CB 1.032 64.287 63.200 0.093 0.000 1.076 93 S HN 0.363 nan 8.310 nan 0.000 0.534 94 L N 1.577 122.850 121.223 0.083 0.000 2.399 94 L HA 0.507 4.847 4.340 -0.000 0.000 0.265 94 L C 0.845 177.758 176.870 0.071 0.000 1.089 94 L CA -0.713 54.175 54.840 0.081 0.000 0.802 94 L CB 0.943 43.052 42.059 0.084 0.000 1.180 94 L HN 0.710 nan 8.230 nan 0.000 0.454 95 T N -0.756 113.839 114.554 0.068 0.000 2.837 95 T HA 0.437 4.787 4.350 -0.000 0.000 0.285 95 T C -2.541 172.137 174.700 -0.035 0.000 0.984 95 T CA -2.058 60.039 62.100 -0.006 0.000 1.049 95 T CB 1.294 70.117 68.868 -0.076 0.000 0.947 95 T HN 0.207 nan 8.240 nan 0.000 0.472 96 P HA 0.101 nan 4.420 nan 0.000 0.262 96 P C 0.266 177.514 177.300 -0.087 0.000 1.182 96 P CA -0.546 62.524 63.100 -0.050 0.000 0.761 96 P CB 0.050 31.717 31.700 -0.054 0.000 0.795 97 C N 4.257 123.560 119.300 0.005 0.000 2.638 97 C HA 0.116 4.576 4.460 -0.000 0.000 0.410 97 C C 1.794 176.787 174.990 0.006 0.000 1.404 97 C CA 0.920 59.973 59.018 0.058 0.000 1.651 97 C CB -1.455 26.359 27.740 0.125 0.000 2.495 97 C HN 0.769 nan 8.230 nan 0.000 0.606 98 T N 1.462 116.008 114.554 -0.013 0.000 2.990 98 T HA -0.038 4.312 4.350 -0.000 0.000 0.250 98 T C 1.619 176.342 174.700 0.038 0.000 1.041 98 T CA 0.771 62.865 62.100 -0.010 0.000 1.010 98 T CB -0.713 68.123 68.868 -0.052 0.000 1.003 98 T HN 1.002 nan 8.240 nan 0.000 0.499 99 C N 1.982 121.339 119.300 0.094 0.000 2.449 99 C HA 0.497 4.957 4.460 -0.000 0.000 0.283 99 C C 2.392 177.418 174.990 0.060 0.000 1.453 99 C CA -0.370 58.702 59.018 0.090 0.000 1.779 99 C CB -1.837 25.980 27.740 0.128 0.000 1.779 99 C HN 0.852 nan 8.230 nan 0.000 0.546 100 G N 1.228 110.060 108.800 0.054 0.000 2.203 100 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.263 100 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.263 100 G C 0.242 175.164 174.900 0.036 0.000 1.012 100 G CA 0.755 45.879 45.100 0.040 0.000 0.749 100 G HN 1.097 nan 8.290 nan 0.000 0.512 101 S N -1.161 114.562 115.700 0.039 0.000 2.584 101 S HA 0.562 5.032 4.470 -0.000 0.000 0.270 101 S C 1.519 176.125 174.600 0.009 0.000 1.346 101 S CA 0.691 58.906 58.200 0.025 0.000 1.018 101 S CB 1.065 64.283 63.200 0.030 0.000 0.899 101 S HN 0.519 nan 8.310 nan 0.000 0.542 102 S N 1.204 116.900 115.700 -0.006 0.000 2.540 102 S HA 0.207 4.677 4.470 -0.000 0.000 0.222 102 S C -0.649 173.909 174.600 -0.071 0.000 1.008 102 S CA -0.358 57.830 58.200 -0.021 0.000 0.939 102 S CB 0.129 63.323 63.200 -0.009 0.000 0.865 102 S HN 0.700 nan 8.310 nan 0.000 0.499 103 D N 2.433 122.780 120.400 -0.089 0.000 2.380 103 D HA 0.394 5.034 4.640 -0.000 0.000 0.230 103 D C -0.312 175.792 176.300 -0.327 0.000 1.154 103 D CA 0.131 54.011 54.000 -0.199 0.000 0.859 103 D CB 0.866 41.596 40.800 -0.116 0.000 1.045 103 D HN 0.241 nan 8.370 nan 0.000 0.495 104 L N 1.685 122.616 121.223 -0.487 0.000 2.271 104 L HA 0.580 4.920 4.340 -0.000 0.000 0.265 104 L C -0.819 175.561 176.870 -0.817 0.000 1.013 104 L CA -1.127 53.442 54.840 -0.452 0.000 0.820 104 L CB 1.142 43.036 42.059 -0.276 0.000 1.352 104 L HN 0.230 nan 8.230 nan 0.000 0.443 105 Y N 0.536 120.778 120.300 -0.097 0.000 2.470 105 Y HA 0.495 5.045 4.550 -0.000 0.000 0.341 105 Y C -0.849 174.990 175.900 -0.101 0.000 1.021 105 Y CA -0.680 57.371 58.100 -0.083 0.000 1.025 105 Y CB 2.062 40.486 38.460 -0.059 0.000 1.266 105 Y HN 0.218 nan 8.280 nan 0.000 0.448 106 L N 3.976 125.212 121.223 0.022 0.000 2.287 106 L HA 0.719 5.059 4.340 -0.000 0.000 0.287 106 L C -1.140 175.722 176.870 -0.013 0.000 1.022 106 L CA -0.688 54.118 54.840 -0.055 0.000 0.814 106 L CB 1.151 43.103 42.059 -0.178 0.000 1.217 106 L HN 0.467 nan 8.230 nan 0.000 0.420 107 V N 4.331 124.240 119.914 -0.009 0.000 2.432 107 V HA 0.511 4.631 4.120 -0.000 0.000 0.275 107 V C 0.669 176.749 176.094 -0.023 0.000 1.043 107 V CA -0.171 62.128 62.300 -0.002 0.000 0.925 107 V CB 1.057 32.881 31.823 0.002 0.000 0.985 107 V HN 0.937 nan 8.190 nan 0.000 0.466 108 T N 1.903 116.434 114.554 -0.038 0.000 2.923 108 T HA 0.397 4.747 4.350 -0.000 0.000 0.281 108 T C 0.987 175.596 174.700 -0.151 0.000 0.995 108 T CA -0.805 61.235 62.100 -0.100 0.000 0.985 108 T CB 1.143 69.919 68.868 -0.153 0.000 1.114 108 T HN 0.706 nan 8.240 nan 0.000 0.548 109 R N -0.436 119.897 120.500 -0.279 0.000 2.357 109 R HA 0.021 4.361 4.340 -0.000 0.000 0.202 109 R C 0.560 176.690 176.300 -0.284 0.000 1.047 109 R CA 1.068 57.006 56.100 -0.270 0.000 1.034 109 R CB -0.874 29.272 30.300 -0.257 0.000 0.875 109 R HN 0.826 nan 8.270 nan 0.000 0.473 110 H N -0.022 119.011 119.070 -0.061 0.000 2.594 110 H HA 0.430 4.986 4.556 -0.000 0.000 0.279 110 H C 0.678 175.996 175.328 -0.017 0.000 1.042 110 H CA 0.091 56.106 56.048 -0.054 0.000 1.177 110 H CB 1.127 30.823 29.762 -0.111 0.000 1.524 110 H HN 0.364 nan 8.280 nan 0.000 0.537 111 A N 0.775 123.624 122.820 0.049 0.000 2.887 111 A HA -0.216 4.104 4.320 -0.000 0.000 0.257 111 A C -0.222 177.406 177.584 0.072 0.000 1.372 111 A CA 0.745 52.810 52.037 0.047 0.000 0.879 111 A CB -1.952 17.089 19.000 0.069 0.000 1.082 111 A HN 0.466 nan 8.150 nan 0.000 0.703 112 D N -0.405 120.050 120.400 0.090 0.000 2.382 112 D HA 0.418 5.058 4.640 -0.000 0.000 0.245 112 D C 0.110 176.461 176.300 0.084 0.000 1.120 112 D CA 0.357 54.426 54.000 0.116 0.000 0.890 112 D CB 1.369 42.289 40.800 0.200 0.000 1.201 112 D HN 0.268 nan 8.370 nan 0.000 0.433 113 V N 3.965 123.930 119.914 0.085 0.000 2.304 113 V HA 0.184 4.304 4.120 -0.000 0.000 0.278 113 V C -0.012 176.155 176.094 0.121 0.000 1.018 113 V CA -0.756 61.592 62.300 0.079 0.000 0.814 113 V CB 1.121 32.963 31.823 0.031 0.000 1.021 113 V HN 0.325 nan 8.190 nan 0.000 0.440 114 I N 7.794 128.433 120.570 0.114 0.000 2.312 114 I HA 0.384 4.553 4.170 -0.000 0.000 0.290 114 I C -2.127 174.031 176.117 0.068 0.000 1.008 114 I CA -3.098 58.253 61.300 0.084 0.000 1.226 114 I CB 1.683 39.705 38.000 0.038 0.000 1.371 114 I HN 0.348 nan 8.210 nan 0.000 0.468 115 P HA 0.112 nan 4.420 nan 0.000 0.267 115 P C -0.530 176.669 177.300 -0.167 0.000 1.209 115 P CA 0.107 63.151 63.100 -0.093 0.000 0.763 115 P CB 1.027 32.711 31.700 -0.028 0.000 0.816 116 V N 4.777 124.522 119.914 -0.282 0.000 2.604 116 V HA 0.403 4.522 4.120 -0.000 0.000 0.305 116 V C 0.390 176.362 176.094 -0.203 0.000 1.043 116 V CA -0.811 61.374 62.300 -0.192 0.000 0.888 116 V CB 2.072 33.797 31.823 -0.164 0.000 0.995 116 V HN 0.401 nan 8.190 nan 0.000 0.429 117 R N 3.795 124.225 120.500 -0.117 0.000 2.198 117 R HA 0.370 4.710 4.340 -0.000 0.000 0.339 117 R C 0.017 176.298 176.300 -0.033 0.000 1.020 117 R CA -0.421 55.627 56.100 -0.087 0.000 0.864 117 R CB 0.155 30.419 30.300 -0.059 0.000 1.105 117 R HN 0.718 nan 8.270 nan 0.000 0.463 118 R N 3.060 123.546 120.500 -0.024 0.000 2.537 118 R HA -0.013 4.327 4.340 -0.000 0.000 0.281 118 R C 0.248 176.577 176.300 0.047 0.000 0.988 118 R CA 0.624 56.753 56.100 0.049 0.000 1.077 118 R CB 0.524 30.856 30.300 0.054 0.000 0.932 118 R HN 0.640 nan 8.270 nan 0.000 0.409 119 R N 2.137 122.680 120.500 0.072 0.000 2.412 119 R HA 0.193 4.533 4.340 -0.000 0.000 0.212 119 R C 0.566 176.887 176.300 0.035 0.000 0.878 119 R CA 0.616 56.741 56.100 0.042 0.000 1.022 119 R CB 1.318 31.638 30.300 0.034 0.000 1.265 119 R HN 0.762 nan 8.270 nan 0.000 0.620 120 G N -0.202 108.627 108.800 0.047 0.000 3.243 120 G HA2 0.202 4.162 3.960 -0.000 0.000 0.248 120 G HA3 0.202 4.162 3.960 -0.000 0.000 0.248 120 G C -0.487 174.417 174.900 0.006 0.000 1.267 120 G CA -0.260 44.844 45.100 0.006 0.000 0.906 120 G HN -0.189 nan 8.290 nan 0.000 0.592 121 D N -0.572 119.790 120.400 -0.063 0.000 2.271 121 D HA 0.063 4.703 4.640 -0.000 0.000 0.206 121 D C 2.148 178.261 176.300 -0.312 0.000 0.967 121 D CA 1.521 55.471 54.000 -0.083 0.000 0.867 121 D CB 0.418 41.169 40.800 -0.081 0.000 0.960 121 D HN 0.302 nan 8.370 nan 0.000 0.509 122 S N -1.259 114.145 115.700 -0.493 0.000 2.900 122 S HA 0.334 4.804 4.470 -0.000 0.000 0.253 122 S C 0.514 174.618 174.600 -0.827 0.000 1.029 122 S CA -0.671 56.904 58.200 -1.042 0.000 1.096 122 S CB 1.168 64.035 63.200 -0.555 0.000 1.067 122 S HN -0.142 nan 8.310 nan 0.000 0.610 123 R N 0.695 121.016 120.500 -0.298 0.000 2.686 123 R HA 0.757 5.097 4.340 -0.000 0.000 0.283 123 R C -0.696 175.758 176.300 0.256 0.000 0.978 123 R CA -0.250 55.874 56.100 0.041 0.000 0.897 123 R CB 1.954 32.255 30.300 0.002 0.000 1.192 123 R HN 0.341 nan 8.270 nan 0.000 0.457 124 G N 0.522 109.477 108.800 0.258 0.000 2.740 124 G HA2 0.318 4.278 3.960 -0.000 0.000 0.296 124 G HA3 0.318 4.278 3.960 -0.000 0.000 0.296 124 G C -0.767 174.185 174.900 0.087 0.000 1.439 124 G CA -0.478 44.722 45.100 0.165 0.000 1.066 124 G HN 0.498 nan 8.290 nan 0.000 0.527 125 S N 1.525 117.248 115.700 0.038 0.000 2.565 125 S HA 0.599 5.069 4.470 -0.000 0.000 0.276 125 S C 0.214 174.808 174.600 -0.011 0.000 1.326 125 S CA -0.635 57.573 58.200 0.014 0.000 1.045 125 S CB 1.352 64.553 63.200 0.001 0.000 0.918 125 S HN 0.517 nan 8.310 nan 0.000 0.505 126 L N 2.538 123.753 121.223 -0.014 0.000 2.350 126 L HA 0.245 4.585 4.340 -0.000 0.000 0.275 126 L C 0.802 177.649 176.870 -0.039 0.000 1.099 126 L CA -0.833 53.986 54.840 -0.035 0.000 0.808 126 L CB 0.667 42.706 42.059 -0.033 0.000 1.149 126 L HN 0.621 nan 8.230 nan 0.000 0.442 127 L N 1.189 122.384 121.223 -0.048 0.000 2.131 127 L HA 0.015 4.355 4.340 -0.000 0.000 0.206 127 L C 0.830 177.675 176.870 -0.042 0.000 1.087 127 L CA 1.247 56.062 54.840 -0.042 0.000 0.767 127 L CB -0.261 41.773 42.059 -0.041 0.000 0.917 127 L HN 0.486 nan 8.230 nan 0.000 0.441 128 S N 0.083 115.751 115.700 -0.052 0.000 2.601 128 S HA 0.422 4.891 4.470 -0.000 0.000 0.312 128 S C -2.348 172.204 174.600 -0.079 0.000 1.107 128 S CA -1.134 57.027 58.200 -0.065 0.000 1.129 128 S CB 1.160 64.312 63.200 -0.079 0.000 0.982 128 S HN -0.072 nan 8.310 nan 0.000 0.469 129 P HA 0.185 nan 4.420 nan 0.000 0.265 129 P C -0.281 176.968 177.300 -0.086 0.000 1.187 129 P CA 0.063 63.128 63.100 -0.058 0.000 0.766 129 P CB 0.513 32.188 31.700 -0.042 0.000 0.820 130 R N 3.184 123.637 120.500 -0.078 0.000 2.795 130 R HA 0.450 4.790 4.340 -0.000 0.000 0.275 130 R C -2.570 173.720 176.300 -0.017 0.000 0.981 130 R CA -2.306 53.728 56.100 -0.111 0.000 0.917 130 R CB 1.679 31.833 30.300 -0.243 0.000 1.202 130 R HN 0.325 nan 8.270 nan 0.000 0.469 131 P HA -0.109 nan 4.420 nan 0.000 0.265 131 P C 0.865 178.236 177.300 0.118 0.000 1.193 131 P CA 0.212 63.346 63.100 0.057 0.000 0.765 131 P CB 0.810 32.550 31.700 0.066 0.000 0.823 132 V N 3.186 123.165 119.914 0.108 0.000 2.469 132 V HA -0.274 3.846 4.120 -0.000 0.000 0.251 132 V C 2.371 178.573 176.094 0.180 0.000 1.064 132 V CA 2.934 65.320 62.300 0.143 0.000 1.066 132 V CB -1.230 30.659 31.823 0.111 0.000 0.667 132 V HN 0.768 nan 8.190 nan 0.000 0.461 133 S N -0.871 114.924 115.700 0.159 0.000 2.402 133 S HA -0.339 4.131 4.470 -0.000 0.000 0.233 133 S C 1.983 176.712 174.600 0.215 0.000 1.030 133 S CA 1.979 60.276 58.200 0.161 0.000 1.003 133 S CB -1.055 62.223 63.200 0.129 0.000 0.813 133 S HN 0.825 nan 8.310 nan 0.000 0.477 134 Y N 1.806 122.173 120.300 0.112 0.000 2.274 134 Y HA 0.136 4.686 4.550 -0.000 0.000 0.290 134 Y C 1.848 177.859 175.900 0.186 0.000 1.145 134 Y CA 1.373 59.560 58.100 0.144 0.000 1.203 134 Y CB -0.162 38.353 38.460 0.092 0.000 0.984 134 Y HN 0.260 nan 8.280 nan 0.000 0.533 135 L N 0.205 121.608 121.223 0.300 0.000 2.558 135 L HA 0.016 4.356 4.340 -0.000 0.000 0.225 135 L C 0.494 177.527 176.870 0.271 0.000 1.128 135 L CA 0.011 55.011 54.840 0.267 0.000 0.868 135 L CB -0.200 42.071 42.059 0.353 0.000 1.006 135 L HN -0.116 nan 8.230 nan 0.000 0.454 136 K N 0.829 121.347 120.400 0.197 0.000 2.326 136 K HA 0.284 4.604 4.320 -0.000 0.000 0.275 136 K C 1.073 177.746 176.600 0.122 0.000 1.018 136 K CA 0.657 57.042 56.287 0.163 0.000 0.962 136 K CB 0.691 33.270 32.500 0.131 0.000 0.953 136 K HN 0.183 nan 8.250 nan 0.000 0.475 137 G N 1.365 110.251 108.800 0.142 0.000 2.176 137 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.253 137 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.253 137 G C 0.768 175.761 174.900 0.155 0.000 0.979 137 G CA 0.536 45.724 45.100 0.147 0.000 0.641 137 G HN 0.483 nan 8.290 nan 0.000 0.530 138 S N 0.282 116.104 115.700 0.204 0.000 2.540 138 S HA 0.326 4.796 4.470 -0.000 0.000 0.218 138 S C 1.357 176.221 174.600 0.440 0.000 0.977 138 S CA 0.602 58.962 58.200 0.267 0.000 0.918 138 S CB 0.281 63.620 63.200 0.232 0.000 0.806 138 S HN 1.351 nan 8.310 nan 0.000 0.496 139 S N 1.062 116.944 115.700 0.303 0.000 2.558 139 S HA 0.422 4.892 4.470 -0.000 0.000 0.293 139 S C 1.388 176.144 174.600 0.261 0.000 1.292 139 S CA 0.320 58.607 58.200 0.145 0.000 1.063 139 S CB 0.519 63.729 63.200 0.017 0.000 0.831 139 S HN 0.690 nan 8.310 nan 0.000 0.499 140 G N 1.972 110.910 108.800 0.229 0.000 2.213 140 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.236 140 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.236 140 G C 0.459 175.500 174.900 0.235 0.000 0.991 140 G CA -0.118 45.138 45.100 0.260 0.000 0.629 140 G HN 1.420 nan 8.290 nan 0.000 0.517 141 G N 1.027 109.978 108.800 0.251 0.000 2.503 141 G HA2 0.604 4.564 3.960 -0.000 0.000 0.257 141 G HA3 0.604 4.564 3.960 -0.000 0.000 0.257 141 G C -2.026 172.971 174.900 0.161 0.000 1.214 141 G CA -0.407 44.801 45.100 0.180 0.000 0.839 141 G HN 0.300 nan 8.290 nan 0.000 0.559 142 P HA 0.189 nan 4.420 nan 0.000 0.285 142 P C -0.491 176.810 177.300 0.001 0.000 1.259 142 P CA -0.502 62.630 63.100 0.053 0.000 0.794 142 P CB 1.632 33.359 31.700 0.044 0.000 0.940 143 L N 4.691 125.870 121.223 -0.073 0.000 2.295 143 L HA 0.317 4.656 4.340 -0.000 0.000 0.288 143 L C 0.554 177.360 176.870 -0.106 0.000 1.079 143 L CA -0.162 54.574 54.840 -0.174 0.000 0.830 143 L CB -0.276 41.494 42.059 -0.482 0.000 1.200 143 L HN 0.336 nan 8.230 nan 0.000 0.438 144 L N 3.383 124.597 121.223 -0.015 0.000 2.357 144 L HA 0.432 4.772 4.340 -0.000 0.000 0.273 144 L C 0.826 177.750 176.870 0.089 0.000 1.080 144 L CA -0.683 54.179 54.840 0.037 0.000 0.803 144 L CB 1.639 43.727 42.059 0.047 0.000 1.174 144 L HN 0.657 nan 8.230 nan 0.000 0.443 145 C N 0.786 120.126 119.300 0.066 0.000 2.560 145 C HA 0.360 4.820 4.460 -0.000 0.000 0.334 145 C C -1.069 173.999 174.990 0.130 0.000 1.404 145 C CA -1.068 58.002 59.018 0.087 0.000 2.410 145 C CB 0.339 28.110 27.740 0.052 0.000 2.268 145 C HN 0.669 nan 8.230 nan 0.000 0.673 146 P HA -0.039 nan 4.420 nan 0.000 0.218 146 P C 1.544 178.795 177.300 -0.081 0.000 1.148 146 P CA 1.758 64.915 63.100 0.095 0.000 0.822 146 P CB -0.126 31.640 31.700 0.110 0.000 0.784 147 S N -1.724 113.879 115.700 -0.162 0.000 2.562 147 S HA 0.237 4.706 4.470 -0.000 0.000 0.221 147 S C 1.542 175.887 174.600 -0.426 0.000 0.975 147 S CA 0.802 58.808 58.200 -0.322 0.000 0.918 147 S CB -0.730 62.182 63.200 -0.481 0.000 0.772 147 S HN 0.347 nan 8.310 nan 0.000 0.531 148 G N 1.428 110.053 108.800 -0.292 0.000 2.132 148 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.228 148 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.228 148 G C -0.299 174.546 174.900 -0.092 0.000 1.000 148 G CA -0.374 44.624 45.100 -0.170 0.000 0.693 148 G HN 0.642 nan 8.290 nan 0.000 0.515 149 H N 0.230 119.308 119.070 0.013 0.000 2.487 149 H HA 0.619 5.175 4.556 -0.000 0.000 0.333 149 H C 0.854 176.184 175.328 0.003 0.000 1.114 149 H CA -0.387 55.667 56.048 0.009 0.000 1.310 149 H CB 1.451 31.219 29.762 0.009 0.000 1.462 149 H HN 0.521 nan 8.280 nan 0.000 0.516 150 A N 2.512 125.414 122.820 0.136 0.000 2.524 150 A HA 0.128 4.448 4.320 -0.000 0.000 0.250 150 A C 0.815 178.419 177.584 0.033 0.000 1.078 150 A CA -0.292 51.779 52.037 0.057 0.000 0.761 150 A CB 0.117 19.141 19.000 0.039 0.000 1.012 150 A HN 0.633 nan 8.150 nan 0.000 0.500 151 V N 2.364 122.270 119.914 -0.012 0.000 3.212 151 V HA 0.448 4.568 4.120 -0.000 0.000 0.244 151 V C 1.228 177.323 176.094 0.002 0.000 1.151 151 V CA 1.275 63.560 62.300 -0.025 0.000 1.119 151 V CB -0.154 31.610 31.823 -0.098 0.000 0.838 151 V HN 1.343 nan 8.190 nan 0.000 0.470 152 G N 0.213 108.989 108.800 -0.041 0.000 2.349 152 G HA2 0.499 4.458 3.960 -0.000 0.000 0.294 152 G HA3 0.499 4.458 3.960 -0.000 0.000 0.294 152 G C -1.796 173.145 174.900 0.068 0.000 1.380 152 G CA -0.377 44.779 45.100 0.094 0.000 0.811 152 G HN 0.266 nan 8.290 nan 0.000 0.519 153 I N -2.299 118.374 120.570 0.172 0.000 2.530 153 I HA 0.784 4.954 4.170 -0.000 0.000 0.297 153 I C -0.591 175.712 176.117 0.309 0.000 1.011 153 I CA -1.197 60.218 61.300 0.192 0.000 1.107 153 I CB 2.151 40.251 38.000 0.167 0.000 1.285 153 I HN 0.377 nan 8.210 nan 0.000 0.436 154 F N 5.975 126.009 119.950 0.141 0.000 2.543 154 F HA 0.332 4.859 4.527 -0.000 0.000 0.375 154 F C 1.219 177.131 175.800 0.187 0.000 1.075 154 F CA -0.323 57.779 58.000 0.170 0.000 1.225 154 F CB 0.683 39.754 39.000 0.119 0.000 1.099 154 F HN 0.733 nan 8.300 nan 0.000 0.561 155 R N 3.798 124.135 120.500 -0.272 0.000 2.412 155 R HA 0.728 5.068 4.340 -0.000 0.000 0.212 155 R C -0.714 175.329 176.300 -0.428 0.000 0.878 155 R CA 0.338 56.292 56.100 -0.244 0.000 1.022 155 R CB 0.335 30.640 30.300 0.007 0.000 1.265 155 R HN 0.565 nan 8.270 nan 0.000 0.620 156 A N 0.767 123.268 122.820 -0.532 0.000 2.608 156 A HA 0.766 5.086 4.320 -0.000 0.000 0.292 156 A C -1.721 175.864 177.584 0.001 0.000 1.066 156 A CA -0.481 51.386 52.037 -0.285 0.000 0.676 156 A CB 1.563 20.482 19.000 -0.136 0.000 1.277 156 A HN 0.326 nan 8.150 nan 0.000 0.413 157 A N 0.457 123.340 122.820 0.105 0.000 2.330 157 A HA 0.675 4.995 4.320 -0.000 0.000 0.327 157 A C -0.531 177.115 177.584 0.104 0.000 1.155 157 A CA -0.473 51.696 52.037 0.220 0.000 0.803 157 A CB 0.922 20.078 19.000 0.261 0.000 1.208 157 A HN 1.469 nan 8.150 nan 0.000 0.477 158 V N 1.882 121.850 119.914 0.090 0.000 2.408 158 V HA 0.262 4.381 4.120 -0.000 0.000 0.267 158 V C -0.011 176.084 176.094 0.001 0.000 1.047 158 V CA -0.377 61.939 62.300 0.027 0.000 0.937 158 V CB -0.040 31.795 31.823 0.021 0.000 0.999 158 V HN 0.940 nan 8.190 nan 0.000 0.472 159 C N 3.536 122.807 119.300 -0.048 0.000 2.454 159 C HA 0.727 5.186 4.460 -0.000 0.000 0.336 159 C C 0.616 175.534 174.990 -0.120 0.000 1.189 159 C CA -0.496 58.483 59.018 -0.065 0.000 1.877 159 C CB 1.695 29.399 27.740 -0.059 0.000 2.348 159 C HN 0.843 nan 8.230 nan 0.000 0.508 160 T N 2.134 116.631 114.554 -0.095 0.000 2.864 160 T HA 0.397 4.747 4.350 -0.000 0.000 0.310 160 T C -0.039 174.603 174.700 -0.097 0.000 1.040 160 T CA -0.502 61.532 62.100 -0.110 0.000 0.977 160 T CB 0.360 69.181 68.868 -0.078 0.000 0.976 160 T HN 0.746 nan 8.240 nan 0.000 0.459 161 R N 2.051 122.473 120.500 -0.129 0.000 3.322 161 R HA -0.223 4.117 4.340 -0.000 0.000 0.253 161 R C 1.260 177.530 176.300 -0.050 0.000 0.987 161 R CA 0.662 56.708 56.100 -0.089 0.000 0.666 161 R CB -2.129 28.134 30.300 -0.061 0.000 1.072 161 R HN 1.242 nan 8.270 nan 0.000 0.447 162 G N -1.643 107.125 108.800 -0.052 0.000 2.184 162 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.264 162 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.264 162 G C 0.187 175.090 174.900 0.005 0.000 0.975 162 G CA 0.143 45.239 45.100 -0.005 0.000 0.642 162 G HN 0.323 nan 8.290 nan 0.000 0.536 163 V N 1.352 121.258 119.914 -0.014 0.000 2.350 163 V HA 0.719 4.839 4.120 -0.000 0.000 0.276 163 V C 0.850 176.942 176.094 -0.003 0.000 1.028 163 V CA -0.445 61.851 62.300 -0.006 0.000 0.860 163 V CB 1.203 33.015 31.823 -0.019 0.000 0.990 163 V HN 1.045 nan 8.190 nan 0.000 0.453 164 A N 4.928 127.761 122.820 0.022 0.000 2.451 164 A HA 0.480 4.800 4.320 -0.000 0.000 0.266 164 A C 0.877 178.470 177.584 0.016 0.000 1.119 164 A CA -0.108 51.953 52.037 0.039 0.000 0.786 164 A CB 0.199 19.252 19.000 0.089 0.000 1.061 164 A HN 1.067 nan 8.150 nan 0.000 0.503 165 K N 1.287 121.695 120.400 0.013 0.000 2.450 165 K HA 0.630 4.949 4.320 -0.000 0.000 0.206 165 K C 0.161 176.769 176.600 0.013 0.000 1.148 165 K CA 0.769 57.056 56.287 0.000 0.000 1.014 165 K CB 0.584 33.076 32.500 -0.014 0.000 0.966 165 K HN 0.878 nan 8.250 nan 0.000 0.566 166 A N 0.374 123.217 122.820 0.040 0.000 2.593 166 A HA 0.735 5.054 4.320 -0.000 0.000 0.290 166 A C -1.355 176.305 177.584 0.126 0.000 1.126 166 A CA -0.325 51.750 52.037 0.064 0.000 0.695 166 A CB 1.525 20.556 19.000 0.052 0.000 1.290 166 A HN 0.412 nan 8.150 nan 0.000 0.414 167 V N -1.176 118.845 119.914 0.178 0.000 2.735 167 V HA 0.725 4.844 4.120 -0.000 0.000 0.310 167 V C -0.894 175.403 176.094 0.338 0.000 1.061 167 V CA -0.692 61.806 62.300 0.330 0.000 0.913 167 V CB 1.917 33.953 31.823 0.356 0.000 1.005 167 V HN 0.891 nan 8.190 nan 0.000 0.428 168 D N 3.090 123.678 120.400 0.313 0.000 2.168 168 D HA 0.618 5.257 4.640 -0.000 0.000 0.246 168 D C -1.192 175.272 176.300 0.272 0.000 1.050 168 D CA -0.203 53.899 54.000 0.170 0.000 0.857 168 D CB 2.028 42.852 40.800 0.040 0.000 1.169 168 D HN 0.655 nan 8.370 nan 0.000 0.453 169 F N 0.413 120.418 119.950 0.092 0.000 2.626 169 F HA 0.511 5.037 4.527 -0.000 0.000 0.311 169 F C -1.501 174.318 175.800 0.031 0.000 1.088 169 F CA -1.144 56.910 58.000 0.091 0.000 0.949 169 F CB 0.873 39.956 39.000 0.138 0.000 1.322 169 F HN -0.032 nan 8.300 nan 0.000 0.461 170 V N 3.183 123.221 119.914 0.206 0.000 2.368 170 V HA 0.346 4.466 4.120 -0.000 0.000 0.266 170 V C -2.137 174.053 176.094 0.160 0.000 1.045 170 V CA -1.721 60.616 62.300 0.061 0.000 0.899 170 V CB 0.548 32.386 31.823 0.025 0.000 1.006 170 V HN 0.574 nan 8.190 nan 0.000 0.470 171 P HA 0.045 nan 4.420 nan 0.000 0.269 171 P C 1.129 178.414 177.300 -0.025 0.000 1.215 171 P CA -0.114 63.065 63.100 0.131 0.000 0.780 171 P CB 0.625 32.340 31.700 0.025 0.000 0.898 172 V N 0.344 120.237 119.914 -0.035 0.000 2.720 172 V HA -0.215 3.905 4.120 -0.000 0.000 0.256 172 V C 1.695 177.688 176.094 -0.168 0.000 1.082 172 V CA 1.608 63.816 62.300 -0.154 0.000 1.101 172 V CB -1.455 30.306 31.823 -0.104 0.000 0.693 172 V HN 0.489 nan 8.190 nan 0.000 0.479 173 E N 1.422 121.563 120.200 -0.099 0.000 2.150 173 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 173 E C 2.218 178.742 176.600 -0.127 0.000 0.985 173 E CA 1.533 57.877 56.400 -0.094 0.000 0.814 173 E CB -0.750 28.917 29.700 -0.056 0.000 0.752 173 E HN 0.621 nan 8.360 nan 0.000 0.466 174 S N 1.204 116.817 115.700 -0.146 0.000 2.368 174 S HA -0.055 4.415 4.470 -0.000 0.000 0.225 174 S C 2.064 176.508 174.600 -0.261 0.000 1.030 174 S CA 1.322 59.424 58.200 -0.164 0.000 0.999 174 S CB -0.241 62.872 63.200 -0.144 0.000 0.844 174 S HN 0.242 nan 8.310 nan 0.000 0.459 175 M N 0.729 120.067 119.600 -0.437 0.000 2.159 175 M HA -0.119 4.360 4.480 -0.000 0.000 0.263 175 M C 2.261 178.302 176.300 -0.432 0.000 1.063 175 M CA 1.312 56.130 55.300 -0.804 0.000 1.110 175 M CB -0.344 31.465 32.600 -1.319 0.000 1.374 175 M HN 0.172 nan 8.290 nan 0.000 0.411 176 E N 0.463 120.510 120.200 -0.255 0.000 2.028 176 E HA -0.115 4.235 4.350 -0.000 0.000 0.190 176 E C 1.795 178.343 176.600 -0.086 0.000 0.984 176 E CA 1.872 58.197 56.400 -0.127 0.000 0.800 176 E CB -0.330 29.316 29.700 -0.090 0.000 0.758 176 E HN 0.286 nan 8.360 nan 0.000 0.448 177 T N -0.153 114.349 114.554 -0.088 0.000 2.778 177 T HA -0.161 4.189 4.350 -0.000 0.000 0.269 177 T C 1.649 176.330 174.700 -0.031 0.000 1.050 177 T CA 1.834 63.903 62.100 -0.052 0.000 1.137 177 T CB -0.504 68.330 68.868 -0.056 0.000 0.860 177 T HN 0.265 nan 8.240 nan 0.000 0.468 178 T N 1.752 116.271 114.554 -0.057 0.000 2.942 178 T HA 0.139 4.489 4.350 -0.000 0.000 0.265 178 T C 1.924 176.640 174.700 0.028 0.000 1.062 178 T CA 0.721 62.824 62.100 0.004 0.000 1.139 178 T CB -0.205 68.674 68.868 0.018 0.000 0.883 178 T HN 0.409 nan 8.240 nan 0.000 0.468 179 M N 0.402 119.954 119.600 -0.080 0.000 2.419 179 M HA 0.119 4.599 4.480 -0.000 0.000 0.264 179 M C 1.692 178.092 176.300 0.167 0.000 1.082 179 M CA 0.909 56.203 55.300 -0.011 0.000 1.119 179 M CB -0.034 32.538 32.600 -0.046 0.000 1.398 179 M HN -0.107 nan 8.290 nan 0.000 0.453 180 R N -0.033 120.518 120.500 0.086 0.000 2.334 180 R HA 0.315 4.655 4.340 -0.000 0.000 0.216 180 R C 0.069 176.408 176.300 0.066 0.000 0.905 180 R CA 0.030 56.172 56.100 0.069 0.000 1.064 180 R CB -0.213 30.106 30.300 0.031 0.000 1.046 180 R HN 0.118 nan 8.270 nan 0.000 0.508 181 S N 2.804 118.556 115.700 0.086 0.000 2.586 181 S HA 0.317 4.786 4.470 -0.000 0.000 0.274 181 S C -2.265 172.373 174.600 0.063 0.000 1.281 181 S CA -0.966 57.269 58.200 0.059 0.000 1.035 181 S CB 1.271 64.501 63.200 0.050 0.000 0.962 181 S HN 0.071 nan 8.310 nan 0.000 0.512 182 P HA 0.010 nan 4.420 nan 0.000 0.261 182 P C 1.137 178.458 177.300 0.035 0.000 1.203 182 P CA 0.067 63.192 63.100 0.042 0.000 0.767 182 P CB 0.348 32.068 31.700 0.034 0.000 0.785 183 V N 4.801 124.742 119.914 0.044 0.000 2.257 183 V HA -0.248 3.872 4.120 -0.000 0.000 0.257 183 V C 0.492 176.563 176.094 -0.039 0.000 1.077 183 V CA 1.844 64.150 62.300 0.009 0.000 1.063 183 V CB -0.640 31.219 31.823 0.059 0.000 0.664 183 V HN 0.372 nan 8.190 nan 0.000 0.450 184 F N -0.200 119.735 119.950 -0.026 0.000 2.482 184 F HA 0.563 5.090 4.527 -0.000 0.000 0.331 184 F C 0.099 175.882 175.800 -0.028 0.000 1.115 184 F CA -0.475 57.508 58.000 -0.027 0.000 0.955 184 F CB 2.019 41.003 39.000 -0.028 0.000 1.136 184 F HN -0.173 nan 8.300 nan 0.000 0.452 185 T N 2.747 117.368 114.554 0.112 0.000 2.864 185 T HA 0.145 4.494 4.350 -0.000 0.000 0.310 185 T C -1.015 173.732 174.700 0.078 0.000 1.040 185 T CA -0.674 61.461 62.100 0.058 0.000 0.977 185 T CB 0.654 69.504 68.868 -0.032 0.000 0.976 185 T HN 0.435 nan 8.240 nan 0.000 0.459 186 D N 2.983 123.434 120.400 0.083 0.000 2.389 186 D HA 0.229 4.869 4.640 -0.000 0.000 0.247 186 D C 0.227 176.510 176.300 -0.028 0.000 1.128 186 D CA -0.258 53.773 54.000 0.052 0.000 0.884 186 D CB 0.563 41.382 40.800 0.030 0.000 1.194 186 D HN 0.518 nan 8.370 nan 0.000 0.441 187 N N 1.269 119.936 118.700 -0.055 0.000 2.577 187 N HA 0.033 4.773 4.740 -0.000 0.000 0.285 187 N C -0.227 175.253 175.510 -0.050 0.000 1.658 187 N CA -0.442 52.547 53.050 -0.101 0.000 0.865 187 N CB 0.268 38.609 38.487 -0.243 0.000 1.419 187 N HN 0.131 nan 8.380 nan 0.000 0.495 188 S N -0.283 115.413 115.700 -0.008 0.000 2.720 188 S HA 0.142 4.612 4.470 -0.000 0.000 0.222 188 S C 0.112 174.710 174.600 -0.003 0.000 0.958 188 S CA -0.194 58.014 58.200 0.013 0.000 0.943 188 S CB -0.242 62.969 63.200 0.017 0.000 0.779 188 S HN 0.417 nan 8.310 nan 0.000 0.526 189 S N 2.284 117.974 115.700 -0.016 0.000 2.532 189 S HA 0.563 5.032 4.470 -0.000 0.000 0.299 189 S C -3.020 171.565 174.600 -0.024 0.000 1.105 189 S CA -1.644 56.541 58.200 -0.024 0.000 1.018 189 S CB 1.307 64.492 63.200 -0.025 0.000 1.021 189 S HN 0.170 nan 8.310 nan 0.000 0.483 190 P HA 0.178 nan 4.420 nan 0.000 0.257 190 P C -2.430 174.891 177.300 0.035 0.000 1.189 190 P CA -0.756 62.323 63.100 -0.035 0.000 0.780 190 P CB -0.753 30.825 31.700 -0.204 0.000 0.772 191 P HA 0.046 nan 4.420 nan 0.000 0.266 191 P C 0.021 177.351 177.300 0.051 0.000 1.195 191 P CA -0.036 63.081 63.100 0.028 0.000 0.768 191 P CB 0.621 32.311 31.700 -0.017 0.000 0.838 192 A N 3.342 126.165 122.820 0.005 0.000 2.483 192 A HA 0.163 4.483 4.320 -0.000 0.000 0.238 192 A C 0.359 177.888 177.584 -0.091 0.000 1.070 192 A CA -0.443 51.589 52.037 -0.008 0.000 0.770 192 A CB -0.126 18.869 19.000 -0.008 0.000 1.008 192 A HN 0.417 nan 8.150 nan 0.000 0.497 193 V N 5.404 125.225 119.914 -0.155 0.000 2.403 193 V HA 0.147 4.267 4.120 -0.000 0.000 0.265 193 V C -1.428 174.598 176.094 -0.114 0.000 1.034 193 V CA -0.794 61.350 62.300 -0.260 0.000 1.036 193 V CB -0.158 31.404 31.823 -0.436 0.000 1.032 193 V HN 0.876 nan 8.190 nan 0.000 0.478 194 P HA 0.049 nan 4.420 nan 0.000 0.270 194 P C 0.445 177.731 177.300 -0.022 0.000 1.223 194 P CA -0.203 62.857 63.100 -0.067 0.000 0.785 194 P CB 1.070 32.713 31.700 -0.095 0.000 0.923 195 Q N 2.043 121.843 119.800 -0.000 0.000 2.020 195 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 195 Q C 0.694 176.714 176.000 0.032 0.000 0.982 195 Q CA 1.692 57.507 55.803 0.021 0.000 0.838 195 Q CB -0.642 28.107 28.738 0.018 0.000 0.899 195 Q HN 0.655 nan 8.270 nan 0.000 0.423 196 S N -1.390 114.330 115.700 0.034 0.000 2.722 196 S HA 0.377 4.847 4.470 -0.000 0.000 0.292 196 S C -0.252 174.399 174.600 0.086 0.000 1.135 196 S CA -0.939 57.304 58.200 0.071 0.000 1.003 196 S CB 0.440 63.684 63.200 0.072 0.000 1.067 196 S HN 0.298 nan 8.310 nan 0.000 0.546 197 F N 2.038 121.981 119.950 -0.012 0.000 2.612 197 F HA 0.195 4.721 4.527 -0.000 0.000 0.389 197 F C 0.327 176.113 175.800 -0.024 0.000 1.055 197 F CA 0.771 58.759 58.000 -0.019 0.000 1.232 197 F CB 0.252 39.244 39.000 -0.012 0.000 1.044 197 F HN 0.460 nan 8.300 nan 0.000 0.560 198 Q N 4.669 124.100 119.800 -0.616 0.000 2.413 198 Q HA 0.508 4.847 4.340 -0.000 0.000 0.276 198 Q C -1.195 174.419 176.000 -0.643 0.000 1.099 198 Q CA -0.953 54.588 55.803 -0.436 0.000 0.814 198 Q CB 2.227 30.826 28.738 -0.232 0.000 1.379 198 Q HN 0.468 nan 8.270 nan 0.000 0.436 199 V N 0.922 120.658 119.914 -0.296 0.000 2.394 199 V HA 0.854 4.974 4.120 -0.000 0.000 0.282 199 V C -0.318 175.710 176.094 -0.109 0.000 1.031 199 V CA -0.487 61.692 62.300 -0.202 0.000 0.881 199 V CB 1.198 32.994 31.823 -0.044 0.000 0.982 199 V HN 0.836 nan 8.190 nan 0.000 0.451 200 A N 3.675 126.418 122.820 -0.127 0.000 2.479 200 A HA 0.886 5.206 4.320 -0.000 0.000 0.296 200 A C -1.220 176.336 177.584 -0.045 0.000 1.121 200 A CA -0.600 51.416 52.037 -0.035 0.000 0.743 200 A CB 1.388 20.341 19.000 -0.079 0.000 1.323 200 A HN 0.874 nan 8.150 nan 0.000 0.415 201 H N -0.769 118.254 119.070 -0.078 0.000 2.567 201 H HA 0.716 5.272 4.556 -0.000 0.000 0.345 201 H C -0.969 174.301 175.328 -0.096 0.000 1.169 201 H CA -0.430 55.589 56.048 -0.049 0.000 1.227 201 H CB 1.797 31.506 29.762 -0.089 0.000 1.607 201 H HN 0.527 nan 8.280 nan 0.000 0.534 202 L N 2.096 123.409 121.223 0.150 0.000 2.595 202 L HA 0.262 4.602 4.340 -0.000 0.000 0.259 202 L C -1.600 175.449 176.870 0.297 0.000 1.033 202 L CA -0.125 54.782 54.840 0.112 0.000 0.901 202 L CB 0.066 42.167 42.059 0.070 0.000 1.151 202 L HN 0.765 nan 8.230 nan 0.000 0.453 203 H N 4.230 123.328 119.070 0.046 0.000 2.597 203 H HA 0.879 5.435 4.556 -0.000 0.000 0.303 203 H C -0.327 175.014 175.328 0.022 0.000 1.057 203 H CA -0.515 55.553 56.048 0.033 0.000 1.261 203 H CB 1.336 31.120 29.762 0.036 0.000 1.397 203 H HN 0.768 nan 8.280 nan 0.000 0.461 204 A N 4.738 127.634 122.820 0.126 0.000 2.547 204 A HA 0.426 4.746 4.320 -0.000 0.000 0.297 204 A C -2.868 174.742 177.584 0.043 0.000 1.056 204 A CA -1.696 50.383 52.037 0.069 0.000 0.688 204 A CB 1.678 20.710 19.000 0.052 0.000 1.282 204 A HN 0.379 nan 8.150 nan 0.000 0.400 205 P HA 0.253 nan 4.420 nan 0.000 0.272 205 P C 0.049 177.367 177.300 0.030 0.000 1.230 205 P CA 0.222 63.335 63.100 0.021 0.000 0.788 205 P CB 0.254 31.962 31.700 0.014 0.000 0.949 206 T N 0.659 115.232 114.554 0.032 0.000 2.933 206 T HA 0.302 4.652 4.350 -0.000 0.000 0.306 206 T C 1.180 175.907 174.700 0.046 0.000 1.045 206 T CA 1.666 63.791 62.100 0.042 0.000 1.143 206 T CB -0.733 68.161 68.868 0.044 0.000 1.003 206 T HN 0.861 nan 8.240 nan 0.000 0.540 207 G N 2.029 110.859 108.800 0.049 0.000 2.248 207 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.252 207 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.252 207 G C 0.497 175.426 174.900 0.048 0.000 1.085 207 G CA 0.031 45.156 45.100 0.042 0.000 0.845 207 G HN 0.695 nan 8.290 nan 0.000 0.494 208 S N -0.865 114.870 115.700 0.058 0.000 2.730 208 S HA 0.469 4.939 4.470 -0.000 0.000 0.244 208 S C 1.837 176.475 174.600 0.063 0.000 1.022 208 S CA 1.014 59.244 58.200 0.050 0.000 1.014 208 S CB 0.645 63.867 63.200 0.036 0.000 0.963 208 S HN 2.214 nan 8.310 nan 0.000 0.540 209 G N 2.363 111.222 108.800 0.098 0.000 2.157 209 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.248 209 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.248 209 G C 0.905 175.849 174.900 0.072 0.000 0.979 209 G CA 0.598 45.771 45.100 0.121 0.000 0.650 209 G HN 0.437 nan 8.290 nan 0.000 0.529 210 K N 0.435 120.873 120.400 0.063 0.000 2.089 210 K HA -0.175 4.145 4.320 -0.000 0.000 0.210 210 K C 2.614 179.233 176.600 0.033 0.000 1.048 210 K CA 2.105 58.416 56.287 0.040 0.000 0.926 210 K CB -0.235 32.300 32.500 0.058 0.000 0.714 210 K HN 0.771 nan 8.250 nan 0.000 0.448 211 S N -1.455 114.292 115.700 0.078 0.000 2.559 211 S HA 0.043 4.513 4.470 -0.000 0.000 0.226 211 S C 1.427 176.029 174.600 0.003 0.000 1.000 211 S CA 0.298 58.509 58.200 0.019 0.000 0.948 211 S CB 0.520 63.770 63.200 0.082 0.000 0.870 211 S HN 0.319 nan 8.310 nan 0.000 0.497 212 T N 0.060 114.696 114.554 0.136 0.000 3.391 212 T HA 0.317 4.667 4.350 -0.000 0.000 0.233 212 T C 1.611 176.377 174.700 0.111 0.000 0.960 212 T CA 0.450 62.685 62.100 0.224 0.000 1.342 212 T CB -0.579 68.586 68.868 0.496 0.000 1.124 212 T HN 0.131 nan 8.240 nan 0.000 0.396 213 K N 1.656 122.165 120.400 0.181 0.000 2.009 213 K HA 0.028 4.348 4.320 -0.000 0.000 0.210 213 K C 2.233 178.723 176.600 -0.183 0.000 1.049 213 K CA 1.709 58.029 56.287 0.056 0.000 0.929 213 K CB -1.343 31.244 32.500 0.144 0.000 0.714 213 K HN 0.305 nan 8.250 nan 0.000 0.440 214 V N 1.426 121.246 119.914 -0.157 0.000 2.324 214 V HA -0.198 3.921 4.120 -0.000 0.000 0.250 214 V C -0.972 174.872 176.094 -0.417 0.000 1.060 214 V CA 2.260 64.367 62.300 -0.322 0.000 1.042 214 V CB -1.289 30.390 31.823 -0.240 0.000 0.650 214 V HN 0.313 nan 8.190 nan 0.000 0.450 215 P HA -0.060 nan 4.420 nan 0.000 0.219 215 P C 1.553 178.751 177.300 -0.171 0.000 1.150 215 P CA 1.727 64.753 63.100 -0.124 0.000 0.814 215 P CB -0.129 31.483 31.700 -0.148 0.000 0.787 216 A N -0.425 122.209 122.820 -0.309 0.000 2.121 216 A HA 0.059 4.378 4.320 -0.000 0.000 0.218 216 A C 2.152 179.563 177.584 -0.288 0.000 1.154 216 A CA 1.657 53.439 52.037 -0.424 0.000 0.679 216 A CB -1.229 17.089 19.000 -1.137 0.000 0.795 216 A HN 0.204 nan 8.150 nan 0.000 0.458 217 A N -1.152 121.502 122.820 -0.277 0.000 1.871 217 A HA 0.174 4.494 4.320 -0.000 0.000 0.211 217 A C 1.979 179.519 177.584 -0.073 0.000 1.207 217 A CA 1.028 52.944 52.037 -0.202 0.000 0.620 217 A CB -0.737 18.090 19.000 -0.289 0.000 0.860 217 A HN 0.416 nan 8.150 nan 0.000 0.450 218 Y N 0.359 120.615 120.300 -0.073 0.000 2.081 218 Y HA -0.209 4.341 4.550 -0.000 0.000 0.280 218 Y C 3.023 178.975 175.900 0.086 0.000 1.163 218 Y CA 0.718 58.794 58.100 -0.040 0.000 1.135 218 Y CB -1.208 37.170 38.460 -0.136 0.000 0.970 218 Y HN 0.321 nan 8.280 nan 0.000 0.498 219 A N -0.062 122.867 122.820 0.182 0.000 1.933 219 A HA -0.103 4.216 4.320 -0.000 0.000 0.218 219 A C 2.507 180.138 177.584 0.078 0.000 1.175 219 A CA 1.843 53.948 52.037 0.114 0.000 0.628 219 A CB -1.226 17.792 19.000 0.030 0.000 0.814 219 A HN 0.412 nan 8.150 nan 0.000 0.444 220 A N -0.539 122.307 122.820 0.043 0.000 1.940 220 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 220 A C 1.838 179.457 177.584 0.058 0.000 1.176 220 A CA 1.613 53.666 52.037 0.026 0.000 0.631 220 A CB -0.478 18.519 19.000 -0.005 0.000 0.814 220 A HN 0.655 nan 8.150 nan 0.000 0.446 221 Q N -0.885 118.995 119.800 0.133 0.000 2.239 221 Q HA 0.352 4.692 4.340 -0.000 0.000 0.219 221 Q C 0.774 176.809 176.000 0.059 0.000 0.901 221 Q CA 0.228 56.124 55.803 0.155 0.000 0.949 221 Q CB -0.249 28.677 28.738 0.312 0.000 1.038 221 Q HN 0.781 nan 8.270 nan 0.000 0.458 222 G N 0.553 109.365 108.800 0.020 0.000 2.305 222 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.287 222 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.287 222 G C -0.606 174.201 174.900 -0.156 0.000 1.036 222 G CA 0.093 45.150 45.100 -0.072 0.000 0.887 222 G HN 0.370 nan 8.290 nan 0.000 0.505 223 Y N -0.571 119.733 120.300 0.007 0.000 2.387 223 Y HA 0.540 5.090 4.550 -0.000 0.000 0.330 223 Y C 0.959 176.861 175.900 0.004 0.000 1.133 223 Y CA -0.709 57.387 58.100 -0.006 0.000 1.152 223 Y CB 1.351 39.797 38.460 -0.024 0.000 1.215 223 Y HN 0.051 nan 8.280 nan 0.000 0.466 224 K N 2.172 122.685 120.400 0.189 0.000 2.262 224 K HA 0.446 4.766 4.320 -0.000 0.000 0.282 224 K C -1.330 175.413 176.600 0.239 0.000 1.066 224 K CA -0.404 55.990 56.287 0.179 0.000 0.901 224 K CB 0.818 33.379 32.500 0.101 0.000 1.089 224 K HN 0.300 nan 8.250 nan 0.000 0.476 225 V N 5.289 125.296 119.914 0.154 0.000 2.328 225 V HA 0.193 4.313 4.120 -0.000 0.000 0.278 225 V C -0.550 175.359 176.094 -0.308 0.000 1.021 225 V CA -0.967 61.298 62.300 -0.059 0.000 0.838 225 V CB 1.005 32.765 31.823 -0.106 0.000 0.999 225 V HN 0.531 nan 8.190 nan 0.000 0.447 226 L N 7.449 128.269 121.223 -0.671 0.000 2.312 226 L HA 0.711 5.051 4.340 -0.000 0.000 0.281 226 L C -0.353 176.144 176.870 -0.622 0.000 1.070 226 L CA 0.210 54.470 54.840 -0.965 0.000 0.805 226 L CB 1.605 42.815 42.059 -1.414 0.000 1.174 226 L HN 0.439 nan 8.230 nan 0.000 0.434 227 V N 6.278 125.832 119.914 -0.601 0.000 2.525 227 V HA 0.456 4.576 4.120 -0.000 0.000 0.299 227 V C -0.385 175.461 176.094 -0.414 0.000 1.034 227 V CA -0.628 61.379 62.300 -0.489 0.000 0.863 227 V CB 1.503 32.982 31.823 -0.573 0.000 0.999 227 V HN 0.606 nan 8.190 nan 0.000 0.423 228 L N 4.762 125.720 121.223 -0.442 0.000 2.305 228 L HA 0.622 4.962 4.340 -0.000 0.000 0.284 228 L C -0.076 176.400 176.870 -0.656 0.000 1.013 228 L CA -0.192 54.263 54.840 -0.642 0.000 0.819 228 L CB 1.434 42.938 42.059 -0.925 0.000 1.227 228 L HN 0.632 nan 8.230 nan 0.000 0.417 229 N N 3.519 121.937 118.700 -0.469 0.000 2.362 229 N HA 0.462 5.202 4.740 -0.000 0.000 0.299 229 N C -2.307 173.124 175.510 -0.131 0.000 1.170 229 N CA -1.809 51.139 53.050 -0.170 0.000 0.825 229 N CB 3.208 41.763 38.487 0.113 0.000 1.299 229 N HN 0.136 nan 8.380 nan 0.000 0.502 230 P HA 0.009 nan 4.420 nan 0.000 0.224 230 P C -0.043 177.324 177.300 0.111 0.000 1.157 230 P CA 0.710 63.946 63.100 0.227 0.000 0.799 230 P CB 0.278 32.088 31.700 0.183 0.000 0.809 231 S N -0.559 115.188 115.700 0.079 0.000 2.433 231 S HA 0.223 4.692 4.470 -0.000 0.000 0.310 231 S C 1.086 175.706 174.600 0.034 0.000 1.097 231 S CA -0.720 57.514 58.200 0.056 0.000 1.103 231 S CB 0.985 64.215 63.200 0.051 0.000 0.992 231 S HN -0.126 nan 8.310 nan 0.000 0.469 232 V N 5.878 125.810 119.914 0.030 0.000 2.282 232 V HA -0.146 3.974 4.120 -0.000 0.000 0.249 232 V C 2.557 178.646 176.094 -0.008 0.000 1.057 232 V CA 2.999 65.311 62.300 0.019 0.000 1.032 232 V CB -1.323 30.513 31.823 0.021 0.000 0.645 232 V HN 1.068 nan 8.190 nan 0.000 0.447 233 A N -0.088 122.722 122.820 -0.016 0.000 1.892 233 A HA -0.173 4.146 4.320 -0.000 0.000 0.218 233 A C 2.467 179.960 177.584 -0.153 0.000 1.188 233 A CA 2.831 54.828 52.037 -0.066 0.000 0.631 233 A CB -1.242 17.730 19.000 -0.047 0.000 0.822 233 A HN 0.987 nan 8.150 nan 0.000 0.447 234 A N -1.416 121.311 122.820 -0.156 0.000 1.898 234 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 234 A C 2.326 179.669 177.584 -0.402 0.000 1.181 234 A CA 2.291 54.138 52.037 -0.317 0.000 0.620 234 A CB -1.278 17.616 19.000 -0.177 0.000 0.819 234 A HN 0.445 nan 8.150 nan 0.000 0.442 235 T N 0.822 115.344 114.554 -0.052 0.000 2.622 235 T HA -0.141 4.209 4.350 -0.000 0.000 0.266 235 T C 1.847 176.582 174.700 0.057 0.000 1.047 235 T CA 1.579 63.786 62.100 0.179 0.000 1.159 235 T CB -0.568 68.397 68.868 0.161 0.000 0.863 235 T HN 0.378 nan 8.240 nan 0.000 0.422 236 L N 0.700 121.912 121.223 -0.019 0.000 1.991 236 L HA -0.159 4.181 4.340 -0.000 0.000 0.221 236 L C 2.886 179.694 176.870 -0.105 0.000 1.079 236 L CA 1.707 56.523 54.840 -0.039 0.000 0.778 236 L CB -1.253 40.779 42.059 -0.045 0.000 0.893 236 L HN 0.401 nan 8.230 nan 0.000 0.437 237 G N -1.508 107.158 108.800 -0.224 0.000 2.653 237 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.212 237 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.212 237 G C 1.131 175.864 174.900 -0.279 0.000 1.138 237 G CA 0.105 45.044 45.100 -0.270 0.000 0.782 237 G HN 0.156 nan 8.290 nan 0.000 0.535 238 F N 1.168 120.982 119.950 -0.227 0.000 2.220 238 F HA 0.185 4.712 4.527 -0.000 0.000 0.290 238 F C 2.737 178.366 175.800 -0.285 0.000 1.080 238 F CA 0.518 58.286 58.000 -0.386 0.000 1.318 238 F CB -0.807 37.562 39.000 -1.051 0.000 1.063 238 F HN 0.146 nan 8.300 nan 0.000 0.498 239 G N -0.134 108.658 108.800 -0.013 0.000 2.476 239 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.218 239 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.218 239 G C 1.891 176.819 174.900 0.047 0.000 1.164 239 G CA 1.091 46.215 45.100 0.041 0.000 0.768 239 G HN 0.446 nan 8.290 nan 0.000 0.560 240 A N -0.548 122.294 122.820 0.037 0.000 1.972 240 A HA 0.007 4.327 4.320 -0.000 0.000 0.219 240 A C 2.228 179.867 177.584 0.091 0.000 1.169 240 A CA 1.769 53.831 52.037 0.041 0.000 0.635 240 A CB -0.485 18.522 19.000 0.012 0.000 0.810 240 A HN 0.510 nan 8.150 nan 0.000 0.446 241 Y N -0.706 119.581 120.300 -0.022 0.000 2.347 241 Y HA 0.027 4.576 4.550 -0.000 0.000 0.294 241 Y C 2.171 178.098 175.900 0.045 0.000 1.117 241 Y CA 1.168 59.266 58.100 -0.004 0.000 1.184 241 Y CB -0.179 38.276 38.460 -0.008 0.000 1.047 241 Y HN 0.159 nan 8.280 nan 0.000 0.546 242 M N -0.501 119.066 119.600 -0.055 0.000 2.159 242 M HA -0.180 4.299 4.480 -0.000 0.000 0.263 242 M C 2.173 178.447 176.300 -0.043 0.000 1.063 242 M CA 1.435 56.700 55.300 -0.060 0.000 1.110 242 M CB -1.193 31.461 32.600 0.091 0.000 1.374 242 M HN 0.210 nan 8.290 nan 0.000 0.411 243 S N 0.333 116.025 115.700 -0.012 0.000 2.368 243 S HA -0.090 4.380 4.470 -0.000 0.000 0.225 243 S C 1.683 176.260 174.600 -0.040 0.000 1.030 243 S CA 0.933 59.130 58.200 -0.005 0.000 0.999 243 S CB 0.034 63.242 63.200 0.014 0.000 0.844 243 S HN 0.415 nan 8.310 nan 0.000 0.459 244 K N 1.606 121.966 120.400 -0.067 0.000 1.992 244 K HA 0.084 4.404 4.320 -0.000 0.000 0.207 244 K C 2.075 178.562 176.600 -0.189 0.000 1.021 244 K CA 0.809 57.044 56.287 -0.087 0.000 1.018 244 K CB -0.698 31.791 32.500 -0.019 0.000 1.129 244 K HN 0.267 nan 8.250 nan 0.000 0.471 245 A N 1.134 123.739 122.820 -0.359 0.000 2.285 245 A HA -0.181 4.139 4.320 -0.000 0.000 0.214 245 A C 0.822 178.053 177.584 -0.588 0.000 1.188 245 A CA 1.589 53.344 52.037 -0.470 0.000 0.707 245 A CB -0.807 17.847 19.000 -0.576 0.000 0.771 245 A HN 0.550 nan 8.150 nan 0.000 0.488 246 H N -3.143 115.790 119.070 -0.228 0.000 3.650 246 H HA 0.312 4.868 4.556 -0.000 0.000 0.260 246 H C 1.226 176.503 175.328 -0.084 0.000 1.194 246 H CA -0.042 55.919 56.048 -0.145 0.000 1.135 246 H CB 0.612 30.279 29.762 -0.159 0.000 1.612 246 H HN 0.540 nan 8.280 nan 0.000 0.703 247 G N 2.288 111.101 108.800 0.023 0.000 2.395 247 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.300 247 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.300 247 G C 0.010 174.928 174.900 0.029 0.000 0.998 247 G CA 1.092 46.203 45.100 0.018 0.000 1.046 247 G HN 0.494 nan 8.290 nan 0.000 0.513 248 I N -1.465 119.128 120.570 0.038 0.000 2.647 248 I HA 0.545 4.715 4.170 -0.000 0.000 0.295 248 I C -1.452 174.698 176.117 0.056 0.000 1.078 248 I CA -1.248 60.078 61.300 0.043 0.000 1.048 248 I CB 1.926 39.953 38.000 0.046 0.000 1.239 248 I HN -0.090 nan 8.210 nan 0.000 0.421 249 D N 8.832 129.264 120.400 0.054 0.000 2.485 249 D HA 0.375 5.015 4.640 -0.000 0.000 0.229 249 D C -2.416 173.936 176.300 0.086 0.000 1.101 249 D CA -1.168 52.871 54.000 0.065 0.000 0.906 249 D CB 1.074 41.902 40.800 0.047 0.000 1.019 249 D HN 0.323 nan 8.370 nan 0.000 0.516 250 P HA 0.112 nan 4.420 nan 0.000 0.276 250 P C -0.161 177.237 177.300 0.164 0.000 1.244 250 P CA -0.638 62.562 63.100 0.168 0.000 0.801 250 P CB 1.177 33.084 31.700 0.344 0.000 1.006 251 N N 1.278 120.058 118.700 0.134 0.000 2.492 251 N HA 0.168 4.908 4.740 -0.000 0.000 0.262 251 N C -0.165 175.452 175.510 0.178 0.000 1.202 251 N CA 0.251 53.377 53.050 0.127 0.000 0.926 251 N CB 0.332 38.882 38.487 0.105 0.000 1.078 251 N HN 0.342 nan 8.380 nan 0.000 0.454 252 I N 2.109 122.769 120.570 0.151 0.000 2.436 252 I HA 0.301 4.471 4.170 -0.000 0.000 0.289 252 I C 0.015 176.199 176.117 0.112 0.000 1.010 252 I CA -0.376 61.020 61.300 0.161 0.000 1.098 252 I CB 1.432 39.512 38.000 0.133 0.000 1.266 252 I HN 0.204 nan 8.210 nan 0.000 0.434 253 R N 4.216 124.781 120.500 0.107 0.000 2.534 253 R HA 0.854 5.194 4.340 -0.000 0.000 0.301 253 R C -1.046 175.294 176.300 0.068 0.000 0.961 253 R CA -0.767 55.382 56.100 0.081 0.000 0.871 253 R CB 2.287 32.636 30.300 0.082 0.000 1.170 253 R HN 0.520 nan 8.270 nan 0.000 0.446 254 T N -0.114 114.473 114.554 0.055 0.000 2.821 254 T HA 0.222 4.572 4.350 -0.000 0.000 0.306 254 T C 0.905 175.627 174.700 0.037 0.000 1.313 254 T CA -0.573 61.552 62.100 0.041 0.000 1.012 254 T CB 1.822 70.712 68.868 0.037 0.000 1.298 254 T HN 0.725 nan 8.240 nan 0.000 0.502 255 G N 0.011 108.826 108.800 0.024 0.000 2.559 255 G HA2 0.004 3.964 3.960 -0.000 0.000 0.216 255 G HA3 0.004 3.964 3.960 -0.000 0.000 0.216 255 G C 1.262 176.180 174.900 0.030 0.000 1.126 255 G CA 0.619 45.734 45.100 0.024 0.000 0.778 255 G HN 0.483 nan 8.290 nan 0.000 0.543 256 V N -0.888 119.042 119.914 0.028 0.000 2.795 256 V HA 0.384 4.504 4.120 -0.000 0.000 0.243 256 V C 0.917 177.031 176.094 0.033 0.000 1.069 256 V CA 0.540 62.859 62.300 0.030 0.000 1.089 256 V CB 0.122 31.961 31.823 0.027 0.000 0.756 256 V HN 0.248 nan 8.190 nan 0.000 0.471 257 R N 0.382 120.904 120.500 0.035 0.000 2.549 257 R HA 0.284 4.624 4.340 -0.000 0.000 0.291 257 R C -1.386 174.941 176.300 0.045 0.000 1.164 257 R CA -0.147 55.975 56.100 0.037 0.000 0.973 257 R CB 1.578 31.898 30.300 0.032 0.000 1.210 257 R HN 0.274 nan 8.270 nan 0.000 0.422 258 T N 5.567 120.149 114.554 0.046 0.000 2.799 258 T HA 0.428 4.777 4.350 -0.000 0.000 0.286 258 T C 0.106 174.837 174.700 0.051 0.000 0.973 258 T CA -0.434 61.697 62.100 0.053 0.000 1.035 258 T CB 1.054 69.952 68.868 0.051 0.000 0.932 258 T HN 0.547 nan 8.240 nan 0.000 0.469 259 I N 2.511 123.116 120.570 0.059 0.000 2.503 259 I HA 0.337 4.507 4.170 -0.000 0.000 0.282 259 I C -0.983 175.171 176.117 0.061 0.000 1.059 259 I CA -0.534 60.799 61.300 0.055 0.000 1.081 259 I CB 1.255 39.288 38.000 0.054 0.000 1.210 259 I HN 0.474 nan 8.210 nan 0.000 0.450 260 T N 5.153 119.738 114.554 0.052 0.000 2.811 260 T HA 0.185 4.535 4.350 -0.000 0.000 0.309 260 T C 1.272 175.998 174.700 0.043 0.000 1.005 260 T CA -0.194 61.937 62.100 0.051 0.000 0.955 260 T CB 0.635 69.529 68.868 0.043 0.000 0.970 260 T HN 0.757 nan 8.240 nan 0.000 0.496 261 T N -0.565 114.018 114.554 0.048 0.000 3.086 261 T HA 0.324 4.674 4.350 -0.000 0.000 0.250 261 T C 1.513 176.233 174.700 0.033 0.000 1.074 261 T CA 0.150 62.275 62.100 0.041 0.000 0.988 261 T CB -0.115 68.782 68.868 0.048 0.000 0.988 261 T HN 0.896 nan 8.240 nan 0.000 0.530 262 G N 1.305 110.125 108.800 0.033 0.000 2.351 262 G HA2 0.137 4.097 3.960 -0.000 0.000 0.297 262 G HA3 0.137 4.097 3.960 -0.000 0.000 0.297 262 G C 0.088 175.001 174.900 0.022 0.000 1.054 262 G CA -0.088 45.026 45.100 0.022 0.000 1.123 262 G HN 1.147 nan 8.290 nan 0.000 0.512 263 A N 0.804 123.645 122.820 0.034 0.000 2.313 263 A HA 0.984 5.304 4.320 -0.000 0.000 0.323 263 A C -0.227 177.379 177.584 0.036 0.000 1.133 263 A CA -0.652 51.406 52.037 0.033 0.000 0.847 263 A CB 1.250 20.277 19.000 0.046 0.000 1.308 263 A HN 0.192 nan 8.150 nan 0.000 0.475 264 P HA 0.016 nan 4.420 nan 0.000 0.217 264 P C 0.259 177.602 177.300 0.072 0.000 1.154 264 P CA 0.855 63.981 63.100 0.043 0.000 0.841 264 P CB -0.058 31.661 31.700 0.032 0.000 0.788 265 V N 0.802 120.726 119.914 0.018 0.000 2.461 265 V HA 0.295 4.414 4.120 -0.000 0.000 0.275 265 V C 0.583 176.610 176.094 -0.112 0.000 1.047 265 V CA 0.040 62.288 62.300 -0.085 0.000 0.955 265 V CB 0.969 32.709 31.823 -0.138 0.000 0.988 265 V HN 0.138 nan 8.190 nan 0.000 0.471 266 T N 4.664 119.073 114.554 -0.241 0.000 2.908 266 T HA 0.671 5.021 4.350 -0.000 0.000 0.290 266 T C -1.414 172.990 174.700 -0.494 0.000 1.034 266 T CA -0.344 61.639 62.100 -0.195 0.000 1.010 266 T CB 0.984 69.830 68.868 -0.037 0.000 1.068 266 T HN 0.430 nan 8.240 nan 0.000 0.481 267 Y N 1.810 122.067 120.300 -0.072 0.000 2.331 267 Y HA 0.624 5.174 4.550 -0.000 0.000 0.334 267 Y C 0.368 176.239 175.900 -0.048 0.000 0.960 267 Y CA -0.624 57.422 58.100 -0.089 0.000 1.130 267 Y CB 2.177 40.633 38.460 -0.007 0.000 1.164 267 Y HN 0.620 nan 8.280 nan 0.000 0.458 268 S N 1.721 117.429 115.700 0.014 0.000 2.549 268 S HA 0.594 5.064 4.470 -0.000 0.000 0.280 268 S C -0.348 174.205 174.600 -0.078 0.000 1.109 268 S CA -0.697 57.500 58.200 -0.004 0.000 0.905 268 S CB 0.856 64.049 63.200 -0.012 0.000 1.081 268 S HN 0.703 nan 8.310 nan 0.000 0.477 269 T N 2.224 116.756 114.554 -0.036 0.000 2.766 269 T HA 0.292 4.642 4.350 -0.000 0.000 0.295 269 T C 0.890 175.521 174.700 -0.114 0.000 1.024 269 T CA 0.010 62.055 62.100 -0.090 0.000 1.018 269 T CB -0.005 68.864 68.868 0.000 0.000 1.002 269 T HN 0.620 nan 8.240 nan 0.000 0.532 270 Y N 1.109 121.424 120.300 0.026 0.000 2.114 270 Y HA 0.073 4.623 4.550 -0.000 0.000 0.284 270 Y C 2.923 178.825 175.900 0.004 0.000 1.143 270 Y CA 1.755 59.875 58.100 0.034 0.000 1.135 270 Y CB -1.318 37.136 38.460 -0.010 0.000 0.980 270 Y HN 0.881 nan 8.280 nan 0.000 0.499 271 G N -0.105 108.769 108.800 0.123 0.000 2.529 271 G HA2 -0.395 3.564 3.960 -0.000 0.000 0.219 271 G HA3 -0.395 3.564 3.960 -0.000 0.000 0.219 271 G C 1.729 176.626 174.900 -0.005 0.000 1.177 271 G CA 1.710 46.832 45.100 0.036 0.000 0.773 271 G HN 0.251 nan 8.290 nan 0.000 0.573 272 K N 0.249 120.666 120.400 0.029 0.000 2.097 272 K HA -0.020 4.300 4.320 -0.000 0.000 0.205 272 K C 2.084 178.704 176.600 0.034 0.000 1.050 272 K CA 0.998 57.304 56.287 0.033 0.000 0.938 272 K CB -0.777 31.750 32.500 0.047 0.000 0.718 272 K HN 0.262 nan 8.250 nan 0.000 0.442 273 F N 0.823 120.721 119.950 -0.086 0.000 2.171 273 F HA -0.085 4.442 4.527 -0.000 0.000 0.300 273 F C 1.521 177.240 175.800 -0.135 0.000 1.090 273 F CA 1.399 59.344 58.000 -0.091 0.000 1.293 273 F CB -0.195 38.749 39.000 -0.092 0.000 1.013 273 F HN -0.002 nan 8.300 nan 0.000 0.486 274 L N -0.182 120.835 121.223 -0.343 0.000 2.056 274 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 274 L C 2.816 179.346 176.870 -0.567 0.000 1.078 274 L CA 1.118 55.544 54.840 -0.689 0.000 0.749 274 L CB -1.199 40.166 42.059 -1.157 0.000 0.901 274 L HN 0.208 nan 8.230 nan 0.000 0.433 275 A N -0.438 122.208 122.820 -0.290 0.000 1.978 275 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 275 A C 1.695 179.251 177.584 -0.047 0.000 1.170 275 A CA 1.838 53.872 52.037 -0.006 0.000 0.636 275 A CB -0.435 18.620 19.000 0.092 0.000 0.810 275 A HN 0.375 nan 8.150 nan 0.000 0.448 276 D N -1.255 119.070 120.400 -0.125 0.000 2.336 276 D HA 0.257 4.897 4.640 -0.000 0.000 0.229 276 D C 1.332 177.531 176.300 -0.169 0.000 1.061 276 D CA 1.021 54.961 54.000 -0.100 0.000 0.875 276 D CB 0.034 40.804 40.800 -0.051 0.000 0.904 276 D HN 0.616 nan 8.370 nan 0.000 0.525 277 G N 0.055 108.709 108.800 -0.243 0.000 2.176 277 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.253 277 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.253 277 G C 0.911 175.596 174.900 -0.358 0.000 0.979 277 G CA 0.203 45.169 45.100 -0.224 0.000 0.641 277 G HN 0.824 nan 8.290 nan 0.000 0.530 278 G N -1.461 106.909 108.800 -0.717 0.000 2.545 278 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.240 278 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.240 278 G C 0.542 175.149 174.900 -0.487 0.000 1.172 278 G CA 0.379 44.802 45.100 -1.129 0.000 0.949 278 G HN 1.553 nan 8.290 nan 0.000 0.574 279 C N 1.404 120.707 119.300 0.005 0.000 2.459 279 C HA 0.825 5.285 4.460 -0.000 0.000 0.374 279 C C 0.946 175.997 174.990 0.102 0.000 1.241 279 C CA 0.576 59.728 59.018 0.223 0.000 2.352 279 C CB 0.624 28.517 27.740 0.255 0.000 2.490 279 C HN 1.466 nan 8.230 nan 0.000 0.583 280 S N 0.395 116.171 115.700 0.126 0.000 2.564 280 S HA 0.667 5.136 4.470 -0.000 0.000 0.274 280 S C -0.234 174.389 174.600 0.038 0.000 1.124 280 S CA -0.152 58.083 58.200 0.058 0.000 0.869 280 S CB 1.058 64.282 63.200 0.041 0.000 1.105 280 S HN 1.535 nan 8.310 nan 0.000 0.472 281 G N 0.897 109.703 108.800 0.011 0.000 2.862 281 G HA2 0.306 4.266 3.960 -0.000 0.000 0.303 281 G HA3 0.306 4.266 3.960 -0.000 0.000 0.303 281 G C 1.230 176.115 174.900 -0.024 0.000 0.335 281 G CA 0.260 45.356 45.100 -0.006 0.000 1.186 281 G HN 2.224 nan 8.290 nan 0.000 0.190 282 G N 1.653 110.447 108.800 -0.009 0.000 2.471 282 G HA2 0.023 3.983 3.960 -0.000 0.000 0.301 282 G HA3 0.023 3.983 3.960 -0.000 0.000 0.301 282 G C 1.258 176.101 174.900 -0.095 0.000 0.902 282 G CA 0.939 46.026 45.100 -0.022 0.000 1.002 282 G HN 1.927 nan 8.290 nan 0.000 0.509 283 A N -1.296 121.422 122.820 -0.170 0.000 2.169 283 A HA 0.549 4.868 4.320 -0.000 0.000 0.212 283 A C 0.508 177.620 177.584 -0.787 0.000 1.153 283 A CA 0.821 52.560 52.037 -0.495 0.000 0.756 283 A CB 0.262 18.892 19.000 -0.616 0.000 0.813 283 A HN 0.691 nan 8.150 nan 0.000 0.471 284 Y N -1.994 118.314 120.300 0.013 0.000 2.544 284 Y HA 0.346 4.896 4.550 -0.000 0.000 0.342 284 Y C 0.122 176.032 175.900 0.017 0.000 1.062 284 Y CA -1.343 56.758 58.100 0.001 0.000 1.023 284 Y CB 1.327 39.770 38.460 -0.027 0.000 1.308 284 Y HN 0.080 nan 8.280 nan 0.000 0.457 285 D N 1.324 121.835 120.400 0.186 0.000 2.379 285 D HA 0.224 4.864 4.640 -0.000 0.000 0.218 285 D C -0.055 176.241 176.300 -0.007 0.000 1.006 285 D CA 1.118 55.195 54.000 0.128 0.000 0.893 285 D CB 1.212 42.165 40.800 0.256 0.000 1.019 285 D HN 0.336 nan 8.370 nan 0.000 0.503 286 I N 1.735 122.266 120.570 -0.065 0.000 2.466 286 I HA 0.335 4.505 4.170 -0.000 0.000 0.289 286 I C -0.633 175.362 176.117 -0.204 0.000 1.026 286 I CA -0.589 60.567 61.300 -0.241 0.000 1.078 286 I CB 2.592 40.305 38.000 -0.478 0.000 1.249 286 I HN -0.307 nan 8.210 nan 0.000 0.429 287 I N 6.947 127.386 120.570 -0.218 0.000 2.420 287 I HA 0.352 4.522 4.170 -0.000 0.000 0.282 287 I C -0.573 175.402 176.117 -0.236 0.000 1.019 287 I CA -0.562 60.579 61.300 -0.264 0.000 1.130 287 I CB 1.450 39.311 38.000 -0.232 0.000 1.262 287 I HN 0.366 nan 8.210 nan 0.000 0.454 288 I N 5.620 126.047 120.570 -0.239 0.000 2.371 288 I HA 0.101 4.270 4.170 -0.000 0.000 0.290 288 I C 0.076 176.095 176.117 -0.163 0.000 1.028 288 I CA 0.219 61.419 61.300 -0.167 0.000 1.345 288 I CB 0.837 38.760 38.000 -0.128 0.000 1.407 288 I HN 0.577 nan 8.210 nan 0.000 0.501 289 C N 5.316 124.564 119.300 -0.085 0.000 2.138 289 C HA 0.200 4.660 4.460 -0.000 0.000 0.398 289 C C 0.568 175.603 174.990 0.075 0.000 1.029 289 C CA -0.744 58.289 59.018 0.024 0.000 1.426 289 C CB -1.651 26.138 27.740 0.082 0.000 1.652 289 C HN 0.660 nan 8.230 nan 0.000 0.486 290 D N 2.031 122.453 120.400 0.037 0.000 2.419 290 D HA -0.005 4.635 4.640 -0.000 0.000 0.236 290 D C 0.856 177.272 176.300 0.193 0.000 1.165 290 D CA 1.125 55.180 54.000 0.092 0.000 0.882 290 D CB 0.609 41.453 40.800 0.075 0.000 1.201 290 D HN 0.556 nan 8.370 nan 0.000 0.443 291 E N 1.240 121.569 120.200 0.215 0.000 2.360 291 E HA -0.231 4.119 4.350 -0.000 0.000 0.238 291 E C 1.300 178.039 176.600 0.231 0.000 1.186 291 E CA 0.804 57.390 56.400 0.310 0.000 0.719 291 E CB -2.276 27.569 29.700 0.241 0.000 1.236 291 E HN 0.598 nan 8.360 nan 0.000 0.386 292 C N -2.084 117.339 119.300 0.206 0.000 2.485 292 C HA -0.019 4.440 4.460 -0.000 0.000 0.283 292 C C 2.082 177.118 174.990 0.076 0.000 1.478 292 C CA 0.865 59.939 59.018 0.093 0.000 1.741 292 C CB -1.599 26.162 27.740 0.036 0.000 1.675 292 C HN 0.664 nan 8.230 nan 0.000 0.573 293 H N 1.240 120.313 119.070 0.005 0.000 2.547 293 H HA 0.208 4.764 4.556 -0.000 0.000 0.272 293 H C 1.157 176.488 175.328 0.005 0.000 0.971 293 H CA 0.540 56.592 56.048 0.007 0.000 1.245 293 H CB -0.641 29.116 29.762 -0.008 0.000 1.440 293 H HN 0.471 nan 8.280 nan 0.000 0.540 294 S N 1.267 116.512 115.700 -0.758 0.000 2.549 294 S HA -0.011 4.459 4.470 -0.000 0.000 0.286 294 S C 0.961 175.370 174.600 -0.317 0.000 1.314 294 S CA -0.018 57.859 58.200 -0.539 0.000 1.062 294 S CB 0.874 63.803 63.200 -0.453 0.000 0.865 294 S HN 0.576 nan 8.310 nan 0.000 0.498 295 T N -1.489 112.905 114.554 -0.266 0.000 3.264 295 T HA 0.261 4.611 4.350 -0.000 0.000 0.257 295 T C -0.282 174.171 174.700 -0.411 0.000 0.976 295 T CA -0.461 61.410 62.100 -0.381 0.000 0.908 295 T CB -1.178 67.558 68.868 -0.222 0.000 1.082 295 T HN 0.817 nan 8.240 nan 0.000 0.567 296 D N 0.433 120.636 120.400 -0.328 0.000 2.264 296 D HA 0.329 4.969 4.640 -0.000 0.000 0.249 296 D C 1.464 177.560 176.300 -0.340 0.000 1.070 296 D CA -0.397 53.439 54.000 -0.273 0.000 0.912 296 D CB 1.421 42.111 40.800 -0.183 0.000 1.193 296 D HN 0.082 nan 8.370 nan 0.000 0.427 297 S N 1.547 117.067 115.700 -0.300 0.000 2.387 297 S HA -0.285 4.185 4.470 -0.000 0.000 0.230 297 S C 1.617 176.054 174.600 -0.271 0.000 1.035 297 S CA 1.514 59.527 58.200 -0.312 0.000 1.014 297 S CB -1.198 61.845 63.200 -0.262 0.000 0.836 297 S HN 0.646 nan 8.310 nan 0.000 0.466 298 T N 1.615 116.048 114.554 -0.201 0.000 2.674 298 T HA -0.118 4.232 4.350 -0.000 0.000 0.265 298 T C 2.124 176.679 174.700 -0.240 0.000 1.039 298 T CA 1.886 63.907 62.100 -0.131 0.000 1.150 298 T CB -1.301 67.537 68.868 -0.052 0.000 0.864 298 T HN 0.652 nan 8.240 nan 0.000 0.427 299 T N 1.512 115.849 114.554 -0.361 0.000 2.708 299 T HA -0.064 4.286 4.350 -0.000 0.000 0.266 299 T C 2.013 176.322 174.700 -0.651 0.000 1.037 299 T CA 1.053 62.691 62.100 -0.770 0.000 1.146 299 T CB -0.702 67.802 68.868 -0.607 0.000 0.865 299 T HN 0.351 nan 8.240 nan 0.000 0.435 300 I N 0.648 120.908 120.570 -0.515 0.000 2.127 300 I HA -0.137 4.033 4.170 -0.000 0.000 0.241 300 I C 2.398 178.250 176.117 -0.443 0.000 1.075 300 I CA 1.210 62.146 61.300 -0.607 0.000 1.334 300 I CB -0.419 37.065 38.000 -0.860 0.000 1.040 300 I HN 0.292 nan 8.210 nan 0.000 0.405 301 L N 0.989 122.000 121.223 -0.354 0.000 2.141 301 L HA -0.047 4.293 4.340 -0.000 0.000 0.209 301 L C 2.228 179.021 176.870 -0.128 0.000 1.094 301 L CA 2.045 56.748 54.840 -0.228 0.000 0.763 301 L CB -1.217 40.733 42.059 -0.182 0.000 0.908 301 L HN 0.187 nan 8.230 nan 0.000 0.437 302 G N -0.121 108.588 108.800 -0.153 0.000 2.434 302 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.214 302 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.214 302 G C 1.636 176.607 174.900 0.119 0.000 1.202 302 G CA 1.036 46.174 45.100 0.064 0.000 0.788 302 G HN 0.445 nan 8.290 nan 0.000 0.539 303 I N 1.491 122.026 120.570 -0.057 0.000 2.248 303 I HA -0.189 3.981 4.170 -0.000 0.000 0.248 303 I C 3.000 179.201 176.117 0.140 0.000 1.107 303 I CA 1.154 62.494 61.300 0.067 0.000 1.373 303 I CB -0.463 37.583 38.000 0.076 0.000 1.055 303 I HN 0.276 nan 8.210 nan 0.000 0.418 304 G N -0.220 108.671 108.800 0.151 0.000 2.443 304 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.219 304 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.219 304 G C 1.637 176.601 174.900 0.105 0.000 1.131 304 G CA 1.160 46.352 45.100 0.154 0.000 0.775 304 G HN 0.294 nan 8.290 nan 0.000 0.547 305 T N 0.681 115.302 114.554 0.111 0.000 2.851 305 T HA -0.038 4.312 4.350 -0.000 0.000 0.262 305 T C 2.577 177.399 174.700 0.202 0.000 1.043 305 T CA 0.908 63.084 62.100 0.128 0.000 1.140 305 T CB -0.141 68.797 68.868 0.118 0.000 0.872 305 T HN 0.051 nan 8.240 nan 0.000 0.446 306 V N 2.208 122.273 119.914 0.252 0.000 2.214 306 V HA -0.191 3.929 4.120 -0.000 0.000 0.247 306 V C 2.486 178.666 176.094 0.143 0.000 1.051 306 V CA 1.808 64.216 62.300 0.181 0.000 1.003 306 V CB -0.861 31.002 31.823 0.066 0.000 0.635 306 V HN 0.454 nan 8.190 nan 0.000 0.447 307 L N 0.107 121.402 121.223 0.120 0.000 2.263 307 L HA -0.224 4.116 4.340 -0.000 0.000 0.216 307 L C 2.122 179.049 176.870 0.094 0.000 1.111 307 L CA 1.985 56.897 54.840 0.120 0.000 0.773 307 L CB -0.671 41.438 42.059 0.083 0.000 0.906 307 L HN 0.501 nan 8.230 nan 0.000 0.439 308 D N -1.225 119.220 120.400 0.076 0.000 2.301 308 D HA -0.096 4.544 4.640 -0.000 0.000 0.206 308 D C 2.142 178.446 176.300 0.007 0.000 0.979 308 D CA 0.628 54.650 54.000 0.036 0.000 0.874 308 D CB 0.385 41.209 40.800 0.039 0.000 0.968 308 D HN 0.301 nan 8.370 nan 0.000 0.510 309 Q N -0.515 119.309 119.800 0.039 0.000 2.511 309 Q HA 0.289 4.629 4.340 -0.000 0.000 0.236 309 Q C 2.196 178.207 176.000 0.017 0.000 0.893 309 Q CA 0.442 56.262 55.803 0.029 0.000 0.947 309 Q CB 0.115 28.899 28.738 0.076 0.000 1.110 309 Q HN 0.202 nan 8.270 nan 0.000 0.591 310 A N 2.083 124.958 122.820 0.091 0.000 1.923 310 A HA -0.387 3.933 4.320 -0.000 0.000 0.222 310 A C 1.915 179.517 177.584 0.031 0.000 1.258 310 A CA 2.340 54.473 52.037 0.159 0.000 0.670 310 A CB -0.808 18.389 19.000 0.328 0.000 0.834 310 A HN 0.498 nan 8.150 nan 0.000 0.470 311 E N -1.489 118.455 120.200 -0.427 0.000 2.110 311 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 311 E C 1.812 178.217 176.600 -0.325 0.000 0.988 311 E CA 1.631 57.500 56.400 -0.886 0.000 0.804 311 E CB -0.108 28.741 29.700 -1.417 0.000 0.745 311 E HN 0.643 nan 8.360 nan 0.000 0.458 312 T N -0.209 114.228 114.554 -0.196 0.000 3.043 312 T HA 0.129 4.479 4.350 -0.000 0.000 0.263 312 T C 1.462 176.140 174.700 -0.037 0.000 1.094 312 T CA 0.663 62.704 62.100 -0.098 0.000 1.127 312 T CB 0.206 69.029 68.868 -0.074 0.000 0.905 312 T HN 0.221 nan 8.240 nan 0.000 0.490 313 A N 0.832 123.650 122.820 -0.004 0.000 2.276 313 A HA 0.534 4.854 4.320 -0.000 0.000 0.212 313 A C 1.792 179.407 177.584 0.051 0.000 1.230 313 A CA 0.441 52.502 52.037 0.041 0.000 0.844 313 A CB -1.028 18.029 19.000 0.094 0.000 0.860 313 A HN 0.649 nan 8.150 nan 0.000 0.486 314 G N -1.738 107.084 108.800 0.036 0.000 2.176 314 G HA2 0.074 4.034 3.960 -0.000 0.000 0.252 314 G HA3 0.074 4.034 3.960 -0.000 0.000 0.252 314 G C 0.349 175.313 174.900 0.107 0.000 1.024 314 G CA 0.400 45.532 45.100 0.053 0.000 0.755 314 G HN 1.588 nan 8.290 nan 0.000 0.507 315 A N -0.840 122.083 122.820 0.173 0.000 2.316 315 A HA 0.818 5.138 4.320 -0.000 0.000 0.284 315 A C 1.163 178.936 177.584 0.316 0.000 1.115 315 A CA 0.239 52.410 52.037 0.223 0.000 0.812 315 A CB 0.563 19.712 19.000 0.248 0.000 1.064 315 A HN 0.411 nan 8.150 nan 0.000 0.489 316 R N -0.283 120.303 120.500 0.143 0.000 2.254 316 R HA 0.269 4.609 4.340 -0.000 0.000 0.193 316 R C -0.567 175.595 176.300 -0.230 0.000 0.929 316 R CA 0.290 56.430 56.100 0.066 0.000 1.038 316 R CB 0.225 30.554 30.300 0.048 0.000 1.009 316 R HN 0.570 nan 8.270 nan 0.000 0.512 317 L N 0.385 121.416 121.223 -0.320 0.000 2.436 317 L HA 0.449 4.788 4.340 -0.000 0.000 0.268 317 L C -1.459 175.150 176.870 -0.434 0.000 0.974 317 L CA -0.797 53.754 54.840 -0.482 0.000 0.826 317 L CB 2.379 44.174 42.059 -0.440 0.000 1.291 317 L HN -0.317 nan 8.230 nan 0.000 0.406 318 V N 5.155 124.775 119.914 -0.491 0.000 2.495 318 V HA 0.622 4.742 4.120 -0.000 0.000 0.298 318 V C -0.649 175.296 176.094 -0.248 0.000 1.031 318 V CA -0.665 61.461 62.300 -0.290 0.000 0.871 318 V CB 1.956 33.669 31.823 -0.183 0.000 0.988 318 V HN 0.519 nan 8.190 nan 0.000 0.432 319 V N 6.227 126.025 119.914 -0.193 0.000 2.444 319 V HA 0.432 4.552 4.120 -0.000 0.000 0.294 319 V C -0.282 175.729 176.094 -0.138 0.000 1.022 319 V CA -0.465 61.744 62.300 -0.151 0.000 0.850 319 V CB 1.707 33.474 31.823 -0.094 0.000 0.992 319 V HN 0.667 nan 8.190 nan 0.000 0.426 320 L N 5.246 126.352 121.223 -0.197 0.000 2.302 320 L HA 0.674 5.013 4.340 -0.000 0.000 0.285 320 L C 0.592 177.420 176.870 -0.070 0.000 1.090 320 L CA -0.095 54.628 54.840 -0.196 0.000 0.866 320 L CB 0.811 42.615 42.059 -0.425 0.000 1.244 320 L HN 0.692 nan 8.230 nan 0.000 0.435 321 A N 2.629 125.450 122.820 0.002 0.000 2.290 321 A HA 0.789 5.109 4.320 -0.000 0.000 0.310 321 A C -0.017 177.615 177.584 0.079 0.000 1.202 321 A CA -0.290 51.784 52.037 0.061 0.000 0.837 321 A CB 1.414 20.443 19.000 0.049 0.000 1.139 321 A HN 0.551 nan 8.150 nan 0.000 0.509 322 T N -0.052 114.541 114.554 0.065 0.000 2.830 322 T HA 0.534 4.884 4.350 -0.000 0.000 0.322 322 T C -0.366 174.294 174.700 -0.066 0.000 1.501 322 T CA 0.384 62.477 62.100 -0.012 0.000 1.036 322 T CB 1.246 70.075 68.868 -0.065 0.000 1.379 322 T HN 1.562 nan 8.240 nan 0.000 0.493 323 A N 1.667 124.399 122.820 -0.146 0.000 2.574 323 A HA 0.597 4.917 4.320 -0.000 0.000 0.283 323 A C 0.687 178.165 177.584 -0.175 0.000 1.270 323 A CA 0.339 52.311 52.037 -0.109 0.000 0.945 323 A CB -0.101 18.863 19.000 -0.059 0.000 1.127 323 A HN 0.963 nan 8.150 nan 0.000 0.522 324 T N 0.681 115.073 114.554 -0.271 0.000 3.901 324 T HA 0.330 4.680 4.350 -0.000 0.000 0.222 324 T C -3.284 171.286 174.700 -0.215 0.000 0.853 324 T CA -0.743 61.208 62.100 -0.248 0.000 1.576 324 T CB -0.025 68.661 68.868 -0.304 0.000 0.787 324 T HN 0.093 nan 8.240 nan 0.000 0.612 325 P HA 0.366 nan 4.420 nan 0.000 0.273 325 P C -2.763 174.480 177.300 -0.096 0.000 1.250 325 P CA -1.278 61.695 63.100 -0.211 0.000 0.793 325 P CB -0.308 31.159 31.700 -0.388 0.000 1.011 326 P HA 0.065 nan 4.420 nan 0.000 0.265 326 P C 0.997 178.237 177.300 -0.101 0.000 1.193 326 P CA 1.375 64.447 63.100 -0.046 0.000 0.765 326 P CB -0.095 31.567 31.700 -0.062 0.000 0.823 327 G N 1.662 110.434 108.800 -0.047 0.000 2.268 327 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.240 327 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.240 327 G C 0.576 175.488 174.900 0.021 0.000 1.010 327 G CA 0.132 45.216 45.100 -0.026 0.000 0.618 327 G HN 0.617 nan 8.290 nan 0.000 0.516 328 S N -0.499 115.192 115.700 -0.014 0.000 2.536 328 S HA 0.305 4.774 4.470 -0.000 0.000 0.294 328 S C 0.330 174.936 174.600 0.009 0.000 1.289 328 S CA 0.850 59.039 58.200 -0.018 0.000 1.035 328 S CB 1.603 64.780 63.200 -0.039 0.000 0.783 328 S HN 1.566 nan 8.310 nan 0.000 0.497 329 V N 2.676 122.589 119.914 -0.001 0.000 3.078 329 V HA 0.496 4.616 4.120 -0.000 0.000 0.311 329 V C -0.201 175.887 176.094 -0.009 0.000 1.138 329 V CA -0.647 61.655 62.300 0.004 0.000 1.007 329 V CB 2.527 34.355 31.823 0.010 0.000 1.045 329 V HN 0.836 nan 8.190 nan 0.000 0.432 330 T N 4.963 119.507 114.554 -0.017 0.000 2.738 330 T HA 0.431 4.781 4.350 -0.000 0.000 0.294 330 T C -0.206 174.480 174.700 -0.023 0.000 0.914 330 T CA 0.061 62.141 62.100 -0.034 0.000 1.052 330 T CB 0.154 68.985 68.868 -0.061 0.000 0.897 330 T HN 0.884 nan 8.240 nan 0.000 0.522 331 V N 3.637 123.543 119.914 -0.012 0.000 2.834 331 V HA 0.666 4.786 4.120 -0.000 0.000 0.313 331 V C -2.325 173.777 176.094 0.013 0.000 1.060 331 V CA -2.710 59.590 62.300 0.001 0.000 0.989 331 V CB 0.341 32.166 31.823 0.003 0.000 1.041 331 V HN 0.488 nan 8.190 nan 0.000 0.459 332 P HA 0.245 nan 4.420 nan 0.000 0.269 332 P C -0.852 176.492 177.300 0.074 0.000 1.215 332 P CA 0.258 63.389 63.100 0.051 0.000 0.780 332 P CB 0.134 31.862 31.700 0.046 0.000 0.898 333 H N 3.236 122.306 119.070 -0.000 0.000 2.589 333 H HA 0.229 4.785 4.556 -0.000 0.000 0.351 333 H C -1.927 173.411 175.328 0.016 0.000 1.074 333 H CA -2.295 53.754 56.048 0.001 0.000 1.203 333 H CB 1.960 31.715 29.762 -0.012 0.000 1.558 333 H HN 0.209 nan 8.280 nan 0.000 0.522 334 P HA -0.106 nan 4.420 nan 0.000 0.215 334 P C 0.376 177.804 177.300 0.213 0.000 1.153 334 P CA 1.214 64.382 63.100 0.113 0.000 0.853 334 P CB 0.561 32.253 31.700 -0.013 0.000 0.788 335 N N -0.777 118.158 118.700 0.390 0.000 2.521 335 N HA 0.096 4.836 4.740 -0.000 0.000 0.188 335 N C 0.325 175.901 175.510 0.109 0.000 1.146 335 N CA 0.151 53.322 53.050 0.202 0.000 0.893 335 N CB -0.109 38.483 38.487 0.175 0.000 0.975 335 N HN 0.213 nan 8.380 nan 0.000 0.451 336 I N 0.681 121.332 120.570 0.134 0.000 2.448 336 I HA 0.123 4.293 4.170 -0.000 0.000 0.281 336 I C -0.393 175.795 176.117 0.119 0.000 1.027 336 I CA -0.582 60.759 61.300 0.069 0.000 1.111 336 I CB 1.689 39.664 38.000 -0.043 0.000 1.236 336 I HN 0.038 nan 8.210 nan 0.000 0.452 337 E N 6.754 127.025 120.200 0.119 0.000 2.313 337 E HA 0.228 4.578 4.350 -0.000 0.000 0.276 337 E C -0.766 175.943 176.600 0.181 0.000 1.031 337 E CA -0.283 56.193 56.400 0.128 0.000 0.857 337 E CB 0.961 30.718 29.700 0.094 0.000 1.040 337 E HN 0.513 nan 8.360 nan 0.000 0.408 338 E N 2.759 123.091 120.200 0.220 0.000 2.176 338 E HA 0.392 4.742 4.350 -0.000 0.000 0.267 338 E C -1.257 175.482 176.600 0.231 0.000 0.893 338 E CA -0.840 55.773 56.400 0.354 0.000 0.761 338 E CB 2.219 32.227 29.700 0.513 0.000 1.133 338 E HN 0.188 nan 8.360 nan 0.000 0.409 339 V N 1.816 121.753 119.914 0.039 0.000 2.569 339 V HA 0.432 4.552 4.120 -0.000 0.000 0.301 339 V C -0.004 175.713 176.094 -0.628 0.000 1.044 339 V CA -1.024 61.171 62.300 -0.175 0.000 0.874 339 V CB 1.546 33.301 31.823 -0.113 0.000 1.002 339 V HN 0.830 nan 8.190 nan 0.000 0.424 340 A N 5.320 127.669 122.820 -0.785 0.000 2.462 340 A HA 0.614 4.934 4.320 -0.000 0.000 0.243 340 A C 0.042 177.311 177.584 -0.525 0.000 1.076 340 A CA -0.105 51.262 52.037 -1.116 0.000 0.773 340 A CB 0.162 18.874 19.000 -0.480 0.000 1.010 340 A HN 0.842 nan 8.150 nan 0.000 0.493 341 L N 1.712 122.684 121.223 -0.418 0.000 2.472 341 L HA 0.341 4.681 4.340 -0.000 0.000 0.260 341 L C 1.205 178.016 176.870 -0.098 0.000 1.209 341 L CA 0.162 54.892 54.840 -0.184 0.000 0.817 341 L CB 0.946 42.964 42.059 -0.068 0.000 1.106 341 L HN 1.002 nan 8.230 nan 0.000 0.479 342 S N -0.246 115.422 115.700 -0.053 0.000 2.874 342 S HA 0.336 4.806 4.470 -0.000 0.000 0.318 342 S C 0.177 174.780 174.600 0.005 0.000 1.109 342 S CA -0.778 57.410 58.200 -0.020 0.000 0.878 342 S CB 1.248 64.432 63.200 -0.027 0.000 1.307 342 S HN 0.577 nan 8.310 nan 0.000 0.592 343 N N 0.001 118.707 118.700 0.010 0.000 2.353 343 N HA 0.200 4.940 4.740 -0.000 0.000 0.185 343 N C -0.617 174.898 175.510 0.010 0.000 1.098 343 N CA 0.300 53.361 53.050 0.017 0.000 0.872 343 N CB 0.249 38.746 38.487 0.018 0.000 0.970 343 N HN 0.512 nan 8.380 nan 0.000 0.467 344 T N 0.574 115.127 114.554 -0.001 0.000 2.728 344 T HA 0.647 4.996 4.350 -0.000 0.000 0.296 344 T C 0.323 175.015 174.700 -0.012 0.000 0.940 344 T CA -0.400 61.697 62.100 -0.006 0.000 1.013 344 T CB 1.086 69.948 68.868 -0.010 0.000 0.912 344 T HN 0.267 nan 8.240 nan 0.000 0.484 345 G N 2.505 111.299 108.800 -0.009 0.000 2.355 345 G HA2 0.334 4.294 3.960 -0.000 0.000 0.296 345 G HA3 0.334 4.294 3.960 -0.000 0.000 0.296 345 G C -0.359 174.536 174.900 -0.008 0.000 1.507 345 G CA -0.755 44.335 45.100 -0.016 0.000 0.823 345 G HN 0.442 nan 8.290 nan 0.000 0.569 346 E N -0.779 119.413 120.200 -0.015 0.000 2.442 346 E HA 0.219 4.569 4.350 -0.000 0.000 0.195 346 E C 0.653 177.253 176.600 -0.001 0.000 1.030 346 E CA 0.542 56.937 56.400 -0.009 0.000 0.869 346 E CB 0.335 30.026 29.700 -0.015 0.000 0.857 346 E HN 0.443 nan 8.360 nan 0.000 0.505 347 I N 1.822 122.394 120.570 0.003 0.000 2.437 347 I HA 0.266 4.435 4.170 -0.000 0.000 0.279 347 I C -2.464 173.695 176.117 0.069 0.000 1.028 347 I CA -2.742 58.572 61.300 0.023 0.000 1.142 347 I CB 1.531 39.532 38.000 0.001 0.000 1.266 347 I HN -0.272 nan 8.210 nan 0.000 0.461 348 P HA 0.004 nan 4.420 nan 0.000 0.262 348 P C -0.872 176.540 177.300 0.187 0.000 1.182 348 P CA 0.305 63.457 63.100 0.087 0.000 0.761 348 P CB 0.195 31.914 31.700 0.031 0.000 0.795 349 F N 4.975 124.937 119.950 0.021 0.000 3.164 349 F HA 0.274 4.801 4.527 -0.000 0.000 0.375 349 F C -0.738 175.182 175.800 0.200 0.000 1.257 349 F CA -0.560 57.497 58.000 0.095 0.000 1.171 349 F CB 0.364 39.440 39.000 0.127 0.000 1.588 349 F HN 0.274 nan 8.300 nan 0.000 0.604 350 Y N 3.842 123.927 120.300 -0.359 0.000 3.589 350 Y HA -0.147 4.403 4.550 -0.000 0.000 0.218 350 Y C 1.424 177.253 175.900 -0.118 0.000 1.234 350 Y CA 1.393 59.306 58.100 -0.311 0.000 1.576 350 Y CB -1.234 36.917 38.460 -0.516 0.000 1.487 350 Y HN 1.176 nan 8.280 nan 0.000 0.616 351 G N -2.042 106.763 108.800 0.008 0.000 2.241 351 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.244 351 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.244 351 G C 0.804 175.741 174.900 0.061 0.000 0.998 351 G CA 0.460 45.579 45.100 0.032 0.000 0.621 351 G HN 0.294 nan 8.290 nan 0.000 0.519 352 K N 0.129 120.594 120.400 0.108 0.000 2.415 352 K HA 0.954 5.274 4.320 -0.000 0.000 0.275 352 K C 0.246 176.926 176.600 0.133 0.000 1.019 352 K CA 0.189 56.544 56.287 0.115 0.000 1.173 352 K CB 0.904 33.485 32.500 0.135 0.000 1.602 352 K HN 1.124 nan 8.250 nan 0.000 0.717 353 A N 0.244 123.134 122.820 0.117 0.000 2.606 353 A HA 0.701 5.021 4.320 -0.000 0.000 0.293 353 A C -1.394 176.209 177.584 0.030 0.000 1.082 353 A CA -0.676 51.414 52.037 0.088 0.000 0.685 353 A CB 0.997 20.022 19.000 0.042 0.000 1.284 353 A HN 0.466 nan 8.150 nan 0.000 0.408 354 I N 1.710 122.275 120.570 -0.009 0.000 2.410 354 I HA 0.349 4.519 4.170 -0.000 0.000 0.286 354 I C -2.530 173.538 176.117 -0.083 0.000 1.009 354 I CA -2.178 59.066 61.300 -0.094 0.000 1.111 354 I CB 2.306 40.199 38.000 -0.178 0.000 1.262 354 I HN 0.305 nan 8.210 nan 0.000 0.443 355 P HA 0.068 nan 4.420 nan 0.000 0.267 355 P C 0.823 178.069 177.300 -0.090 0.000 1.205 355 P CA -0.081 62.975 63.100 -0.073 0.000 0.765 355 P CB 0.898 32.555 31.700 -0.072 0.000 0.828 356 I N 3.973 124.502 120.570 -0.068 0.000 2.194 356 I HA -0.288 3.882 4.170 -0.000 0.000 0.246 356 I C 1.697 177.767 176.117 -0.078 0.000 1.093 356 I CA 1.836 63.094 61.300 -0.070 0.000 1.355 356 I CB -0.374 37.600 38.000 -0.044 0.000 1.046 356 I HN 0.326 nan 8.210 nan 0.000 0.413 357 E N 0.894 121.056 120.200 -0.062 0.000 2.267 357 E HA -0.212 4.138 4.350 -0.000 0.000 0.197 357 E C 2.167 178.720 176.600 -0.078 0.000 0.998 357 E CA 1.190 57.559 56.400 -0.052 0.000 0.830 357 E CB -0.590 29.089 29.700 -0.036 0.000 0.751 357 E HN 0.676 nan 8.360 nan 0.000 0.491 358 A N 1.404 124.150 122.820 -0.122 0.000 2.121 358 A HA -0.050 4.269 4.320 -0.000 0.000 0.218 358 A C 2.127 179.482 177.584 -0.382 0.000 1.154 358 A CA 1.097 53.022 52.037 -0.187 0.000 0.679 358 A CB -0.459 18.425 19.000 -0.193 0.000 0.795 358 A HN 0.410 nan 8.150 nan 0.000 0.458 359 I N -3.692 116.675 120.570 -0.339 0.000 4.655 359 I HA 0.255 4.425 4.170 -0.000 0.000 0.333 359 I C 0.481 176.532 176.117 -0.111 0.000 1.312 359 I CA -0.553 60.454 61.300 -0.488 0.000 1.270 359 I CB 0.129 37.886 38.000 -0.405 0.000 1.318 359 I HN 0.170 nan 8.210 nan 0.000 0.456 360 R N 2.664 123.129 120.500 -0.058 0.000 2.370 360 R HA 0.598 4.938 4.340 -0.000 0.000 0.309 360 R C 0.343 176.674 176.300 0.053 0.000 1.059 360 R CA 0.606 56.709 56.100 0.005 0.000 0.981 360 R CB 0.161 30.455 30.300 -0.010 0.000 0.972 360 R HN 0.407 nan 8.270 nan 0.000 0.437 361 G N 1.255 110.100 108.800 0.075 0.000 2.850 361 G HA2 0.324 4.284 3.960 -0.000 0.000 0.686 361 G HA3 0.324 4.284 3.960 -0.000 0.000 0.686 361 G C 0.238 175.228 174.900 0.149 0.000 1.164 361 G CA -0.270 44.878 45.100 0.081 0.000 0.826 361 G HN 1.718 nan 8.290 nan 0.000 0.586 362 G N 0.885 109.721 108.800 0.059 0.000 2.592 362 G HA2 0.312 4.272 3.960 -0.000 0.000 0.684 362 G HA3 0.312 4.272 3.960 -0.000 0.000 0.684 362 G C -0.426 174.390 174.900 -0.141 0.000 1.291 362 G CA 0.059 45.122 45.100 -0.061 0.000 0.891 362 G HN 1.350 nan 8.290 nan 0.000 0.544 363 R N 0.600 120.900 120.500 -0.334 0.000 2.393 363 R HA 0.609 4.949 4.340 -0.000 0.000 0.315 363 R C -0.687 175.449 176.300 -0.273 0.000 0.952 363 R CA -0.827 55.171 56.100 -0.169 0.000 0.842 363 R CB 1.399 31.634 30.300 -0.109 0.000 1.163 363 R HN 0.617 nan 8.270 nan 0.000 0.450 364 H N 2.306 121.508 119.070 0.221 0.000 2.768 364 H HA 0.349 4.904 4.556 -0.000 0.000 0.371 364 H C -1.227 173.943 175.328 -0.263 0.000 1.151 364 H CA -0.950 55.123 56.048 0.043 0.000 1.165 364 H CB 2.596 32.332 29.762 -0.044 0.000 1.722 364 H HN 0.204 nan 8.280 nan 0.000 0.543 365 L N 3.457 124.425 121.223 -0.424 0.000 2.349 365 L HA 0.478 4.818 4.340 -0.000 0.000 0.278 365 L C -1.193 175.378 176.870 -0.498 0.000 0.996 365 L CA -0.359 53.989 54.840 -0.822 0.000 0.825 365 L CB 0.737 41.914 42.059 -1.470 0.000 1.243 365 L HN 0.494 nan 8.230 nan 0.000 0.412 366 I N 5.415 125.727 120.570 -0.431 0.000 2.382 366 I HA 0.308 4.478 4.170 -0.000 0.000 0.286 366 I C -0.964 175.044 176.117 -0.182 0.000 1.002 366 I CA -0.416 60.731 61.300 -0.254 0.000 1.135 366 I CB 1.221 39.105 38.000 -0.192 0.000 1.288 366 I HN 0.441 nan 8.210 nan 0.000 0.448 367 F N 5.048 125.044 119.950 0.076 0.000 2.411 367 F HA 0.340 4.867 4.527 -0.000 0.000 0.355 367 F C 0.437 176.360 175.800 0.205 0.000 1.117 367 F CA -0.178 57.894 58.000 0.119 0.000 1.139 367 F CB 0.924 39.982 39.000 0.096 0.000 1.120 367 F HN 0.391 nan 8.300 nan 0.000 0.493 368 C N 3.312 122.835 119.300 0.372 0.000 2.470 368 C HA 0.249 4.709 4.460 -0.000 0.000 0.341 368 C C 1.758 176.892 174.990 0.239 0.000 1.190 368 C CA -0.542 58.676 59.018 0.332 0.000 1.904 368 C CB 1.345 29.268 27.740 0.305 0.000 2.354 368 C HN 0.932 nan 8.230 nan 0.000 0.509 369 H N 0.280 119.462 119.070 0.186 0.000 2.535 369 H HA 0.069 4.625 4.556 -0.000 0.000 0.273 369 H C 0.456 175.837 175.328 0.089 0.000 0.983 369 H CA 1.159 57.273 56.048 0.110 0.000 1.238 369 H CB 0.240 30.054 29.762 0.088 0.000 1.412 369 H HN 0.620 nan 8.280 nan 0.000 0.562 370 S N -0.210 115.197 115.700 -0.488 0.000 2.627 370 S HA 0.335 4.805 4.470 -0.000 0.000 0.283 370 S C 0.532 174.961 174.600 -0.285 0.000 1.127 370 S CA -1.003 56.956 58.200 -0.402 0.000 0.863 370 S CB 2.979 65.842 63.200 -0.561 0.000 1.121 370 S HN 0.225 nan 8.310 nan 0.000 0.479 371 K N 0.860 121.040 120.400 -0.366 0.000 2.097 371 K HA -0.012 4.308 4.320 -0.000 0.000 0.205 371 K C 1.886 178.244 176.600 -0.403 0.000 1.050 371 K CA 0.812 56.714 56.287 -0.640 0.000 0.938 371 K CB -0.214 31.659 32.500 -1.046 0.000 0.718 371 K HN 0.523 nan 8.250 nan 0.000 0.442 372 K N 1.711 121.944 120.400 -0.277 0.000 2.057 372 K HA -0.136 4.183 4.320 -0.000 0.000 0.207 372 K C 1.915 178.448 176.600 -0.111 0.000 1.049 372 K CA 1.249 57.439 56.287 -0.163 0.000 0.931 372 K CB 0.162 32.587 32.500 -0.126 0.000 0.714 372 K HN -0.007 nan 8.250 nan 0.000 0.440 373 K N 0.537 120.857 120.400 -0.134 0.000 2.057 373 K HA -0.107 4.213 4.320 -0.000 0.000 0.206 373 K C 2.345 178.956 176.600 0.019 0.000 1.050 373 K CA 1.126 57.374 56.287 -0.066 0.000 0.935 373 K CB -0.633 31.821 32.500 -0.077 0.000 0.715 373 K HN 0.255 nan 8.250 nan 0.000 0.439 374 C N 1.698 121.015 119.300 0.029 0.000 2.393 374 C HA -0.151 4.308 4.460 -0.000 0.000 0.276 374 C C 2.349 177.408 174.990 0.115 0.000 1.215 374 C CA 0.891 59.978 59.018 0.114 0.000 1.743 374 C CB -0.802 27.061 27.740 0.205 0.000 2.044 374 C HN 0.491 nan 8.230 nan 0.000 0.464 375 D N 0.295 120.752 120.400 0.095 0.000 2.123 375 D HA -0.116 4.524 4.640 -0.000 0.000 0.196 375 D C 2.123 178.454 176.300 0.052 0.000 0.992 375 D CA 1.260 55.316 54.000 0.094 0.000 0.833 375 D CB -0.516 40.325 40.800 0.068 0.000 0.954 375 D HN 0.634 nan 8.370 nan 0.000 0.455 376 E N -0.015 120.200 120.200 0.026 0.000 2.051 376 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 376 E C 2.100 178.719 176.600 0.032 0.000 0.991 376 E CA 0.388 56.798 56.400 0.017 0.000 0.799 376 E CB -0.078 29.618 29.700 -0.007 0.000 0.748 376 E HN 0.096 nan 8.360 nan 0.000 0.449 377 L N 0.951 122.206 121.223 0.053 0.000 2.056 377 L HA -0.065 4.275 4.340 -0.000 0.000 0.207 377 L C 2.197 179.097 176.870 0.050 0.000 1.078 377 L CA 1.852 56.734 54.840 0.069 0.000 0.749 377 L CB -0.604 41.532 42.059 0.128 0.000 0.901 377 L HN 0.037 nan 8.230 nan 0.000 0.433 378 A N -0.378 122.475 122.820 0.054 0.000 1.908 378 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 378 A C 2.454 180.056 177.584 0.029 0.000 1.181 378 A CA 1.947 54.008 52.037 0.040 0.000 0.627 378 A CB -1.191 17.838 19.000 0.049 0.000 0.818 378 A HN 0.571 nan 8.150 nan 0.000 0.445 379 A N -0.331 122.508 122.820 0.032 0.000 1.902 379 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 379 A C 2.136 179.730 177.584 0.017 0.000 1.181 379 A CA 2.017 54.068 52.037 0.023 0.000 0.623 379 A CB -0.437 18.576 19.000 0.022 0.000 0.818 379 A HN 0.577 nan 8.150 nan 0.000 0.443 380 K N -0.261 120.150 120.400 0.019 0.000 2.057 380 K HA -0.038 4.281 4.320 -0.000 0.000 0.206 380 K C 1.865 178.471 176.600 0.010 0.000 1.050 380 K CA 1.249 57.545 56.287 0.014 0.000 0.935 380 K CB -0.302 32.209 32.500 0.018 0.000 0.715 380 K HN 0.470 nan 8.250 nan 0.000 0.439 381 L N 0.601 121.830 121.223 0.010 0.000 2.046 381 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 381 L C 2.449 179.321 176.870 0.002 0.000 1.077 381 L CA 1.296 56.137 54.840 0.001 0.000 0.747 381 L CB -0.455 41.603 42.059 -0.003 0.000 0.896 381 L HN 0.187 nan 8.230 nan 0.000 0.432 382 S N 0.318 116.022 115.700 0.007 0.000 2.370 382 S HA -0.163 4.307 4.470 -0.000 0.000 0.226 382 S C 2.031 176.634 174.600 0.005 0.000 1.033 382 S CA 1.293 59.497 58.200 0.006 0.000 1.011 382 S CB -0.794 62.411 63.200 0.009 0.000 0.852 382 S HN 0.618 nan 8.310 nan 0.000 0.457 383 G N 1.085 109.888 108.800 0.005 0.000 2.479 383 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.220 383 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.220 383 G C 1.042 175.943 174.900 0.002 0.000 1.115 383 G CA 0.431 45.534 45.100 0.004 0.000 0.757 383 G HN 0.485 nan 8.290 nan 0.000 0.560 384 L N 0.118 121.342 121.223 0.000 0.000 2.628 384 L HA 0.279 4.619 4.340 -0.000 0.000 0.229 384 L C 1.908 178.777 176.870 -0.002 0.000 1.137 384 L CA 0.312 55.151 54.840 -0.002 0.000 0.909 384 L CB 0.080 42.136 42.059 -0.006 0.000 1.137 384 L HN 0.324 nan 8.230 nan 0.000 0.470 385 G N 0.966 109.766 108.800 -0.000 0.000 2.148 385 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.254 385 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.254 385 G C 0.253 175.154 174.900 0.001 0.000 0.981 385 G CA -0.156 44.944 45.100 0.001 0.000 0.670 385 G HN 0.310 nan 8.290 nan 0.000 0.528 386 I N 0.728 121.298 120.570 0.001 0.000 2.342 386 I HA 0.151 4.321 4.170 -0.000 0.000 0.291 386 I C 0.621 176.742 176.117 0.006 0.000 1.010 386 I CA -0.839 60.463 61.300 0.003 0.000 1.308 386 I CB 1.058 39.056 38.000 -0.003 0.000 1.400 386 I HN 0.085 nan 8.210 nan 0.000 0.488 387 N N 5.466 124.172 118.700 0.011 0.000 2.429 387 N HA 0.322 5.062 4.740 -0.000 0.000 0.271 387 N C -0.887 174.631 175.510 0.012 0.000 1.272 387 N CA 0.222 53.278 53.050 0.010 0.000 0.921 387 N CB 0.461 38.955 38.487 0.011 0.000 1.128 387 N HN 0.735 nan 8.380 nan 0.000 0.481 388 A N 2.456 125.280 122.820 0.007 0.000 2.520 388 A HA 0.655 4.975 4.320 -0.000 0.000 0.298 388 A C -1.051 176.535 177.584 0.003 0.000 1.051 388 A CA -0.658 51.383 52.037 0.006 0.000 0.690 388 A CB 1.142 20.145 19.000 0.005 0.000 1.281 388 A HN 0.605 nan 8.150 nan 0.000 0.402 389 V N -1.229 118.684 119.914 -0.002 0.000 2.925 389 V HA 0.968 5.088 4.120 -0.000 0.000 0.311 389 V C 0.019 176.116 176.094 0.005 0.000 1.104 389 V CA -0.414 61.884 62.300 -0.003 0.000 0.954 389 V CB 1.254 33.066 31.823 -0.017 0.000 1.022 389 V HN 2.059 nan 8.190 nan 0.000 0.427 390 A N 3.172 125.998 122.820 0.011 0.000 2.306 390 A HA 0.856 5.176 4.320 -0.000 0.000 0.314 390 A C -1.182 176.367 177.584 -0.059 0.000 1.164 390 A CA -0.561 51.498 52.037 0.036 0.000 0.822 390 A CB 0.938 20.019 19.000 0.136 0.000 1.130 390 A HN 1.632 nan 8.150 nan 0.000 0.496 391 Y N 2.394 122.608 120.300 -0.144 0.000 2.421 391 Y HA 0.612 5.161 4.550 -0.000 0.000 0.339 391 Y C -1.244 174.606 175.900 -0.082 0.000 0.996 391 Y CA -0.823 57.129 58.100 -0.247 0.000 1.046 391 Y CB 1.542 39.895 38.460 -0.177 0.000 1.226 391 Y HN 0.890 nan 8.280 nan 0.000 0.445 392 Y N 3.121 122.873 120.300 -0.912 0.000 2.779 392 Y HA 0.483 5.033 4.550 -0.000 0.000 0.340 392 Y C -1.414 174.122 175.900 -0.605 0.000 1.252 392 Y CA -1.936 55.818 58.100 -0.575 0.000 1.072 392 Y CB 0.442 38.768 38.460 -0.224 0.000 1.343 392 Y HN 0.654 nan 8.280 nan 0.000 0.450 393 R N 1.570 122.040 120.500 -0.049 0.000 2.537 393 R HA 0.504 4.844 4.340 -0.000 0.000 0.280 393 R C 0.605 176.919 176.300 0.024 0.000 1.058 393 R CA 0.883 56.952 56.100 -0.053 0.000 1.057 393 R CB 0.059 30.366 30.300 0.012 0.000 0.973 393 R HN 1.760 nan 8.270 nan 0.000 0.438 394 G N 2.152 110.937 108.800 -0.026 0.000 2.307 394 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.210 394 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.210 394 G C -0.050 174.815 174.900 -0.059 0.000 1.005 394 G CA -0.023 45.080 45.100 0.006 0.000 0.634 394 G HN 0.476 nan 8.290 nan 0.000 0.496 395 L N 1.257 122.357 121.223 -0.205 0.000 2.343 395 L HA 0.601 4.941 4.340 -0.000 0.000 0.275 395 L C 0.083 176.939 176.870 -0.024 0.000 1.056 395 L CA -0.781 53.932 54.840 -0.211 0.000 0.804 395 L CB 1.412 43.187 42.059 -0.474 0.000 1.203 395 L HN 0.244 nan 8.230 nan 0.000 0.440 396 D N 0.213 120.642 120.400 0.048 0.000 2.255 396 D HA 0.160 4.800 4.640 -0.000 0.000 0.249 396 D C 0.898 177.312 176.300 0.189 0.000 1.078 396 D CA -0.476 53.594 54.000 0.116 0.000 0.896 396 D CB 1.822 42.658 40.800 0.060 0.000 1.194 396 D HN 0.227 nan 8.370 nan 0.000 0.429 397 V N 2.787 122.812 119.914 0.184 0.000 2.453 397 V HA -0.297 3.823 4.120 -0.000 0.000 0.252 397 V C 2.394 178.494 176.094 0.010 0.000 1.068 397 V CA 2.145 64.477 62.300 0.053 0.000 1.070 397 V CB -1.086 30.768 31.823 0.052 0.000 0.664 397 V HN 0.799 nan 8.190 nan 0.000 0.461 398 S N 1.252 116.973 115.700 0.035 0.000 2.441 398 S HA -0.220 4.249 4.470 -0.000 0.000 0.242 398 S C 1.980 176.579 174.600 -0.002 0.000 1.018 398 S CA 1.804 60.014 58.200 0.016 0.000 0.988 398 S CB -1.084 62.127 63.200 0.018 0.000 0.778 398 S HN 0.779 nan 8.310 nan 0.000 0.498 399 V N -0.392 119.524 119.914 0.004 0.000 2.626 399 V HA 0.231 4.351 4.120 -0.000 0.000 0.252 399 V C 1.123 177.189 176.094 -0.047 0.000 1.067 399 V CA 0.684 62.979 62.300 -0.009 0.000 1.081 399 V CB -1.103 30.727 31.823 0.012 0.000 0.686 399 V HN 0.562 nan 8.190 nan 0.000 0.468 400 I N 3.988 124.494 120.570 -0.107 0.000 2.322 400 I HA 0.298 4.468 4.170 -0.000 0.000 0.292 400 I C -2.051 174.011 176.117 -0.092 0.000 1.060 400 I CA -1.817 59.373 61.300 -0.182 0.000 1.309 400 I CB 0.946 38.647 38.000 -0.499 0.000 1.415 400 I HN 0.183 nan 8.210 nan 0.000 0.492 401 P HA 0.063 nan 4.420 nan 0.000 0.271 401 P C 0.713 177.998 177.300 -0.025 0.000 1.226 401 P CA -0.203 62.877 63.100 -0.032 0.000 0.765 401 P CB 0.799 32.482 31.700 -0.028 0.000 0.835 402 T N 0.661 115.213 114.554 -0.004 0.000 3.055 402 T HA 0.104 4.454 4.350 -0.000 0.000 0.265 402 T C 0.808 175.477 174.700 -0.052 0.000 1.111 402 T CA 0.578 62.677 62.100 -0.002 0.000 1.118 402 T CB -0.127 68.735 68.868 -0.010 0.000 0.909 402 T HN 0.246 nan 8.240 nan 0.000 0.501 403 I N 0.344 120.886 120.570 -0.047 0.000 2.769 403 I HA 0.658 4.828 4.170 -0.000 0.000 0.298 403 I C 0.211 176.301 176.117 -0.045 0.000 1.128 403 I CA 0.026 61.294 61.300 -0.055 0.000 1.031 403 I CB 1.567 39.539 38.000 -0.047 0.000 1.235 403 I HN 0.564 nan 8.210 nan 0.000 0.423 404 G N 4.697 113.468 108.800 -0.047 0.000 2.663 404 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.686 404 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.686 404 G C -1.217 173.664 174.900 -0.031 0.000 1.288 404 G CA -0.909 44.171 45.100 -0.034 0.000 0.836 404 G HN 0.639 nan 8.290 nan 0.000 0.584 405 D N -0.514 119.876 120.400 -0.016 0.000 2.458 405 D HA 0.425 5.065 4.640 -0.000 0.000 0.243 405 D C 0.377 176.684 176.300 0.013 0.000 1.146 405 D CA 0.926 54.926 54.000 0.000 0.000 0.877 405 D CB 1.646 42.455 40.800 0.015 0.000 1.176 405 D HN 0.935 nan 8.370 nan 0.000 0.461 406 V N 2.620 122.555 119.914 0.034 0.000 3.077 406 V HA 0.310 4.429 4.120 -0.000 0.000 0.299 406 V C -1.331 174.819 176.094 0.092 0.000 1.276 406 V CA -0.682 61.647 62.300 0.049 0.000 0.993 406 V CB 2.499 34.342 31.823 0.032 0.000 1.076 406 V HN 0.223 nan 8.190 nan 0.000 0.434 407 V N 6.043 125.995 119.914 0.064 0.000 2.357 407 V HA 0.482 4.601 4.120 -0.000 0.000 0.284 407 V C -0.203 175.885 176.094 -0.010 0.000 1.018 407 V CA -0.564 61.763 62.300 0.045 0.000 0.841 407 V CB 1.585 33.418 31.823 0.017 0.000 0.991 407 V HN 0.624 nan 8.190 nan 0.000 0.437 408 V N 6.131 126.007 119.914 -0.063 0.000 2.383 408 V HA 0.366 4.486 4.120 -0.000 0.000 0.275 408 V C -0.008 175.980 176.094 -0.176 0.000 1.036 408 V CA -0.442 61.785 62.300 -0.123 0.000 0.889 408 V CB 1.633 33.345 31.823 -0.185 0.000 0.985 408 V HN 0.622 nan 8.190 nan 0.000 0.459 409 V N 4.619 124.488 119.914 -0.076 0.000 2.334 409 V HA 0.866 4.986 4.120 -0.000 0.000 0.281 409 V C 0.291 176.403 176.094 0.030 0.000 1.016 409 V CA -0.263 62.017 62.300 -0.033 0.000 0.832 409 V CB 1.032 32.880 31.823 0.040 0.000 0.999 409 V HN 0.998 nan 8.190 nan 0.000 0.439 410 A N 3.464 126.281 122.820 -0.005 0.000 2.556 410 A HA 0.934 5.254 4.320 -0.000 0.000 0.294 410 A C 0.061 177.771 177.584 0.211 0.000 1.091 410 A CA -0.232 51.867 52.037 0.103 0.000 0.704 410 A CB 1.967 20.998 19.000 0.052 0.000 1.300 410 A HN 0.820 nan 8.150 nan 0.000 0.406 411 T N -1.672 113.045 114.554 0.271 0.000 2.814 411 T HA 0.332 4.682 4.350 -0.000 0.000 0.284 411 T C 0.175 175.117 174.700 0.403 0.000 0.998 411 T CA 0.132 62.407 62.100 0.293 0.000 0.935 411 T CB 0.304 69.275 68.868 0.172 0.000 1.167 411 T HN 0.396 nan 8.240 nan 0.000 0.545 412 D N 0.175 120.753 120.400 0.296 0.000 2.384 412 D HA 0.027 4.667 4.640 -0.000 0.000 0.222 412 D C 2.034 178.481 176.300 0.245 0.000 0.976 412 D CA 0.939 55.084 54.000 0.241 0.000 0.915 412 D CB -0.596 40.257 40.800 0.087 0.000 0.896 412 D HN 0.703 nan 8.370 nan 0.000 0.523 413 A N 0.307 123.270 122.820 0.238 0.000 2.172 413 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 413 A C 2.093 179.911 177.584 0.389 0.000 1.154 413 A CA 0.341 52.514 52.037 0.227 0.000 0.701 413 A CB -0.453 18.622 19.000 0.125 0.000 0.789 413 A HN 0.259 nan 8.150 nan 0.000 0.465 414 L N -1.370 120.130 121.223 0.462 0.000 2.081 414 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 414 L C 2.440 179.509 176.870 0.332 0.000 1.080 414 L CA 2.229 57.339 54.840 0.450 0.000 0.754 414 L CB -0.250 42.008 42.059 0.332 0.000 0.893 414 L HN 0.415 nan 8.230 nan 0.000 0.433 415 M N -1.299 118.480 119.600 0.299 0.000 2.175 415 M HA -0.157 4.322 4.480 -0.000 0.000 0.264 415 M C 2.139 178.537 176.300 0.164 0.000 1.063 415 M CA 2.044 57.477 55.300 0.222 0.000 1.119 415 M CB -0.321 32.389 32.600 0.182 0.000 1.377 415 M HN 0.523 nan 8.290 nan 0.000 0.415 416 T N -3.398 111.257 114.554 0.168 0.000 3.088 416 T HA 0.135 4.485 4.350 -0.000 0.000 0.259 416 T C 1.396 176.171 174.700 0.125 0.000 1.122 416 T CA 0.971 63.146 62.100 0.124 0.000 1.095 416 T CB -0.166 68.765 68.868 0.105 0.000 0.930 416 T HN 0.410 nan 8.240 nan 0.000 0.508 417 G N -0.606 108.303 108.800 0.182 0.000 3.695 417 G HA2 0.435 4.395 3.960 -0.000 0.000 0.277 417 G HA3 0.435 4.395 3.960 -0.000 0.000 0.277 417 G C -0.747 174.230 174.900 0.128 0.000 1.001 417 G CA -0.401 44.802 45.100 0.173 0.000 0.837 417 G HN 0.508 nan 8.290 nan 0.000 0.492 418 Y N 0.074 120.336 120.300 -0.063 0.000 2.558 418 Y HA 0.389 4.939 4.550 -0.000 0.000 0.333 418 Y C 0.865 176.723 175.900 -0.069 0.000 1.125 418 Y CA -0.198 57.829 58.100 -0.122 0.000 1.039 418 Y CB 1.520 39.839 38.460 -0.235 0.000 1.331 418 Y HN 0.081 nan 8.280 nan 0.000 0.456 419 T N -0.088 114.012 114.554 -0.757 0.000 2.999 419 T HA 0.335 4.685 4.350 -0.000 0.000 0.247 419 T C 1.079 175.519 174.700 -0.433 0.000 1.012 419 T CA 0.389 62.207 62.100 -0.470 0.000 1.048 419 T CB -0.251 68.359 68.868 -0.430 0.000 1.020 419 T HN 0.850 nan 8.240 nan 0.000 0.478 420 G N 2.701 111.027 108.800 -0.789 0.000 2.785 420 G HA2 0.389 4.349 3.960 -0.000 0.000 0.256 420 G HA3 0.389 4.349 3.960 -0.000 0.000 0.256 420 G C -0.444 174.380 174.900 -0.128 0.000 1.248 420 G CA 0.184 45.052 45.100 -0.386 0.000 0.914 420 G HN 0.627 nan 8.290 nan 0.000 0.580 421 D N -2.065 118.178 120.400 -0.260 0.000 2.687 421 D HA 0.710 5.350 4.640 -0.000 0.000 0.264 421 D C -1.044 174.969 176.300 -0.478 0.000 1.091 421 D CA -0.802 53.124 54.000 -0.123 0.000 1.123 421 D CB 1.239 42.018 40.800 -0.034 0.000 1.407 421 D HN 0.241 nan 8.370 nan 0.000 0.591 422 F N -1.125 118.815 119.950 -0.017 0.000 2.645 422 F HA 0.223 4.750 4.527 -0.000 0.000 0.310 422 F C 0.787 176.539 175.800 -0.080 0.000 1.102 422 F CA -0.868 57.095 58.000 -0.063 0.000 0.952 422 F CB 1.940 40.910 39.000 -0.051 0.000 1.326 422 F HN 0.068 nan 8.300 nan 0.000 0.456 423 D N 0.140 120.543 120.400 0.005 0.000 2.144 423 D HA -0.035 4.605 4.640 -0.000 0.000 0.199 423 D C 0.718 177.058 176.300 0.067 0.000 0.984 423 D CA 1.466 55.440 54.000 -0.043 0.000 0.834 423 D CB 0.066 40.752 40.800 -0.189 0.000 0.955 423 D HN 0.359 nan 8.370 nan 0.000 0.465 424 S N -1.086 114.700 115.700 0.144 0.000 2.607 424 S HA 0.571 5.041 4.470 -0.000 0.000 0.273 424 S C -1.112 173.592 174.600 0.173 0.000 1.148 424 S CA -0.904 57.427 58.200 0.219 0.000 0.833 424 S CB 2.311 65.676 63.200 0.275 0.000 1.130 424 S HN -0.168 nan 8.310 nan 0.000 0.470 425 V N 2.021 122.019 119.914 0.140 0.000 2.540 425 V HA 0.551 4.671 4.120 -0.000 0.000 0.302 425 V C -0.786 175.297 176.094 -0.019 0.000 1.035 425 V CA -0.645 61.709 62.300 0.090 0.000 0.873 425 V CB 1.437 33.435 31.823 0.291 0.000 0.992 425 V HN 0.872 nan 8.190 nan 0.000 0.428 426 I N 3.863 124.372 120.570 -0.103 0.000 2.378 426 I HA 0.487 4.657 4.170 -0.000 0.000 0.291 426 I C -0.902 175.204 176.117 -0.019 0.000 0.992 426 I CA -0.340 60.839 61.300 -0.202 0.000 1.154 426 I CB 1.841 39.603 38.000 -0.396 0.000 1.315 426 I HN 0.495 nan 8.210 nan 0.000 0.448 427 D N 4.980 125.401 120.400 0.035 0.000 2.492 427 D HA 0.228 4.868 4.640 -0.000 0.000 0.248 427 D C 0.693 177.150 176.300 0.262 0.000 1.101 427 D CA -0.692 53.443 54.000 0.225 0.000 0.840 427 D CB 1.855 42.771 40.800 0.193 0.000 1.209 427 D HN 0.717 nan 8.370 nan 0.000 0.524 428 C N 2.603 122.008 119.300 0.174 0.000 2.456 428 C HA 0.167 4.627 4.460 -0.000 0.000 0.279 428 C C 1.146 175.986 174.990 -0.250 0.000 1.427 428 C CA 0.218 59.020 59.018 -0.359 0.000 1.778 428 C CB -1.573 25.390 27.740 -1.296 0.000 1.842 428 C HN 0.875 nan 8.230 nan 0.000 0.531 429 N N 0.241 118.901 118.700 -0.066 0.000 2.909 429 N HA -0.168 4.572 4.740 -0.000 0.000 0.242 429 N C 0.052 175.521 175.510 -0.069 0.000 0.975 429 N CA 1.186 54.222 53.050 -0.022 0.000 0.921 429 N CB -1.705 36.800 38.487 0.029 0.000 1.112 429 N HN 0.905 nan 8.380 nan 0.000 0.581 430 T N -2.967 111.511 114.554 -0.126 0.000 2.912 430 T HA 0.798 5.148 4.350 -0.000 0.000 0.288 430 T C -0.023 174.658 174.700 -0.032 0.000 1.030 430 T CA -0.634 61.408 62.100 -0.097 0.000 1.020 430 T CB 2.301 71.074 68.868 -0.159 0.000 1.056 430 T HN 0.170 nan 8.240 nan 0.000 0.480 431 C N 1.224 120.518 119.300 -0.010 0.000 2.848 431 C HA 0.813 5.273 4.460 -0.000 0.000 0.317 431 C C -0.229 174.794 174.990 0.054 0.000 1.260 431 C CA -0.669 58.369 59.018 0.034 0.000 1.656 431 C CB 1.893 29.642 27.740 0.015 0.000 2.174 431 C HN 0.863 nan 8.230 nan 0.000 0.479 432 V N 1.609 121.575 119.914 0.087 0.000 2.384 432 V HA 0.644 4.764 4.120 -0.000 0.000 0.287 432 V C 0.245 176.377 176.094 0.063 0.000 1.020 432 V CA 0.229 62.584 62.300 0.093 0.000 0.850 432 V CB 1.541 33.444 31.823 0.133 0.000 0.987 432 V HN 1.017 nan 8.190 nan 0.000 0.436 433 T N 4.261 118.849 114.554 0.056 0.000 2.888 433 T HA 0.567 4.917 4.350 -0.000 0.000 0.288 433 T C -1.153 173.586 174.700 0.066 0.000 1.063 433 T CA -0.501 61.632 62.100 0.055 0.000 1.010 433 T CB 1.976 70.873 68.868 0.048 0.000 1.214 433 T HN 0.691 nan 8.240 nan 0.000 0.533 434 Q N 1.475 121.321 119.800 0.078 0.000 2.340 434 Q HA 0.570 4.910 4.340 -0.000 0.000 0.268 434 Q C -0.948 175.106 176.000 0.090 0.000 1.031 434 Q CA -0.903 54.959 55.803 0.099 0.000 0.804 434 Q CB 2.145 30.974 28.738 0.152 0.000 1.286 434 Q HN 0.804 nan 8.270 nan 0.000 0.448 435 T N -1.916 112.680 114.554 0.071 0.000 2.893 435 T HA 0.570 4.920 4.350 -0.000 0.000 0.291 435 T C -0.691 174.026 174.700 0.028 0.000 1.028 435 T CA -0.778 61.350 62.100 0.047 0.000 0.995 435 T CB 1.699 70.579 68.868 0.021 0.000 1.051 435 T HN 0.341 nan 8.240 nan 0.000 0.470 436 V N 1.716 121.622 119.914 -0.012 0.000 2.481 436 V HA 0.559 4.678 4.120 -0.000 0.000 0.286 436 V C -0.976 174.955 176.094 -0.272 0.000 1.042 436 V CA -0.406 61.843 62.300 -0.085 0.000 0.928 436 V CB 1.233 33.023 31.823 -0.056 0.000 0.986 436 V HN 1.073 nan 8.190 nan 0.000 0.462 437 D N 5.223 125.508 120.400 -0.193 0.000 2.408 437 D HA 0.333 4.973 4.640 -0.000 0.000 0.243 437 D C -0.576 175.628 176.300 -0.161 0.000 1.075 437 D CA -0.362 53.521 54.000 -0.195 0.000 0.832 437 D CB 0.922 41.700 40.800 -0.036 0.000 1.162 437 D HN 0.430 nan 8.370 nan 0.000 0.515 438 F N 2.673 122.648 119.950 0.041 0.000 2.652 438 F HA 0.110 4.637 4.527 -0.000 0.000 0.352 438 F C 1.869 177.681 175.800 0.020 0.000 1.259 438 F CA -0.415 57.586 58.000 0.002 0.000 1.249 438 F CB 0.066 38.968 39.000 -0.164 0.000 1.628 438 F HN 0.322 nan 8.300 nan 0.000 0.654 439 S N 0.791 116.599 115.700 0.180 0.000 2.528 439 S HA 0.024 4.494 4.470 -0.000 0.000 0.219 439 S C 1.000 175.652 174.600 0.086 0.000 0.985 439 S CA -0.127 58.137 58.200 0.106 0.000 0.914 439 S CB -0.349 62.899 63.200 0.079 0.000 0.776 439 S HN 0.657 nan 8.310 nan 0.000 0.526 440 L N 1.547 122.832 121.223 0.103 0.000 3.843 440 L HA -0.181 4.159 4.340 -0.000 0.000 0.411 440 L C -0.871 176.020 176.870 0.035 0.000 1.205 440 L CA 0.817 55.695 54.840 0.063 0.000 0.945 440 L CB -2.150 39.934 42.059 0.042 0.000 1.929 440 L HN 0.578 nan 8.230 nan 0.000 0.934 441 D N -1.794 118.624 120.400 0.029 0.000 2.938 441 D HA 0.291 4.931 4.640 -0.000 0.000 0.369 441 D C -1.375 174.913 176.300 -0.021 0.000 1.301 441 D CA -1.191 52.812 54.000 0.005 0.000 0.805 441 D CB 0.463 41.269 40.800 0.009 0.000 1.161 441 D HN 0.145 nan 8.370 nan 0.000 0.474 442 P HA 0.051 nan 4.420 nan 0.000 0.245 442 P C 0.713 178.020 177.300 0.011 0.000 1.199 442 P CA 0.623 63.713 63.100 -0.017 0.000 0.807 442 P CB 1.010 32.688 31.700 -0.036 0.000 1.002 443 T N -2.384 112.176 114.554 0.010 0.000 3.364 443 T HA 0.380 4.730 4.350 -0.000 0.000 0.179 443 T C 0.391 175.231 174.700 0.232 0.000 0.939 443 T CA -0.136 62.021 62.100 0.096 0.000 1.094 443 T CB -0.281 68.619 68.868 0.054 0.000 1.532 443 T HN 0.067 nan 8.240 nan 0.000 0.346 444 F N 0.655 120.728 119.950 0.205 0.000 2.675 444 F HA 0.895 5.422 4.527 -0.000 0.000 0.324 444 F C -1.392 174.494 175.800 0.145 0.000 1.106 444 F CA -1.072 57.043 58.000 0.192 0.000 0.970 444 F CB 1.693 40.867 39.000 0.290 0.000 1.385 444 F HN 0.229 nan 8.300 nan 0.000 0.489 445 T N 2.853 117.623 114.554 0.359 0.000 2.971 445 T HA 0.511 4.861 4.350 -0.000 0.000 0.304 445 T C -1.166 173.666 174.700 0.221 0.000 1.038 445 T CA -0.433 61.780 62.100 0.188 0.000 1.007 445 T CB 1.587 70.511 68.868 0.094 0.000 1.055 445 T HN 0.476 nan 8.240 nan 0.000 0.451 446 I N 4.098 124.757 120.570 0.149 0.000 2.330 446 I HA 0.340 4.510 4.170 -0.000 0.000 0.289 446 I C 0.467 176.615 176.117 0.053 0.000 1.001 446 I CA -0.730 60.612 61.300 0.069 0.000 1.193 446 I CB 1.153 39.096 38.000 -0.093 0.000 1.345 446 I HN 0.764 nan 8.210 nan 0.000 0.461 447 E N 4.377 124.612 120.200 0.059 0.000 2.212 447 E HA 0.574 4.924 4.350 -0.000 0.000 0.268 447 E C -1.068 175.570 176.600 0.063 0.000 0.902 447 E CA -0.761 55.672 56.400 0.055 0.000 0.779 447 E CB 1.807 31.533 29.700 0.044 0.000 1.172 447 E HN 0.367 nan 8.360 nan 0.000 0.409 448 T N 2.225 116.816 114.554 0.063 0.000 2.799 448 T HA 0.456 4.806 4.350 -0.000 0.000 0.286 448 T C -0.253 174.479 174.700 0.054 0.000 0.973 448 T CA -0.544 61.596 62.100 0.066 0.000 1.035 448 T CB 1.157 70.067 68.868 0.070 0.000 0.932 448 T HN 0.652 nan 8.240 nan 0.000 0.469 449 T N -0.598 113.986 114.554 0.051 0.000 2.903 449 T HA 0.575 4.925 4.350 -0.000 0.000 0.299 449 T C -0.472 174.245 174.700 0.030 0.000 1.093 449 T CA -0.906 61.216 62.100 0.036 0.000 1.002 449 T CB 1.506 70.389 68.868 0.026 0.000 1.127 449 T HN 0.327 nan 8.240 nan 0.000 0.488 450 T N 2.266 116.821 114.554 0.002 0.000 2.743 450 T HA 0.607 4.957 4.350 -0.000 0.000 0.293 450 T C 0.374 175.048 174.700 -0.043 0.000 0.945 450 T CA -0.555 61.518 62.100 -0.044 0.000 1.030 450 T CB 0.527 69.294 68.868 -0.168 0.000 0.912 450 T HN 1.013 nan 8.240 nan 0.000 0.483 451 V N 1.775 121.671 119.914 -0.030 0.000 3.001 451 V HA 0.796 4.916 4.120 -0.000 0.000 0.314 451 V C -3.012 173.065 176.094 -0.029 0.000 1.099 451 V CA -3.354 58.933 62.300 -0.022 0.000 0.989 451 V CB 1.631 33.453 31.823 -0.002 0.000 1.040 451 V HN 0.446 nan 8.190 nan 0.000 0.434 452 P HA 0.195 nan 4.420 nan 0.000 0.269 452 P C -0.650 176.639 177.300 -0.017 0.000 1.215 452 P CA -0.104 62.982 63.100 -0.024 0.000 0.780 452 P CB 0.252 31.943 31.700 -0.015 0.000 0.898 453 Q N 1.909 121.697 119.800 -0.020 0.000 2.382 453 Q HA 0.198 4.538 4.340 -0.000 0.000 0.229 453 Q C -0.239 175.756 176.000 -0.008 0.000 1.006 453 Q CA -0.503 55.290 55.803 -0.016 0.000 0.916 453 Q CB 0.589 29.312 28.738 -0.025 0.000 1.235 453 Q HN 0.480 nan 8.270 nan 0.000 0.512 454 D N -0.008 120.391 120.400 -0.001 0.000 2.487 454 D HA 0.264 4.904 4.640 -0.000 0.000 0.262 454 D C 0.353 176.656 176.300 0.006 0.000 1.130 454 D CA -0.125 53.882 54.000 0.012 0.000 1.038 454 D CB 1.262 42.082 40.800 0.034 0.000 1.142 454 D HN 0.614 nan 8.370 nan 0.000 0.575 455 A N 0.231 123.061 122.820 0.018 0.000 1.933 455 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 455 A C 2.323 179.908 177.584 0.002 0.000 1.175 455 A CA 1.754 53.794 52.037 0.005 0.000 0.628 455 A CB -0.911 18.101 19.000 0.021 0.000 0.814 455 A HN 0.405 nan 8.150 nan 0.000 0.444 456 V N -0.374 119.558 119.914 0.031 0.000 2.515 456 V HA -0.169 3.951 4.120 -0.000 0.000 0.250 456 V C 2.710 178.816 176.094 0.022 0.000 1.058 456 V CA 2.128 64.458 62.300 0.051 0.000 1.064 456 V CB -0.712 31.191 31.823 0.134 0.000 0.675 456 V HN 0.670 nan 8.190 nan 0.000 0.461 457 S N -0.062 115.635 115.700 -0.005 0.000 2.362 457 S HA -0.178 4.291 4.470 -0.000 0.000 0.221 457 S C 2.217 176.768 174.600 -0.083 0.000 1.032 457 S CA 1.427 59.596 58.200 -0.052 0.000 0.973 457 S CB -0.199 62.969 63.200 -0.052 0.000 0.849 457 S HN 0.518 nan 8.310 nan 0.000 0.465 458 R N 0.476 120.941 120.500 -0.059 0.000 2.083 458 R HA -0.034 4.306 4.340 -0.000 0.000 0.237 458 R C 2.411 178.637 176.300 -0.124 0.000 1.137 458 R CA 2.013 58.072 56.100 -0.069 0.000 0.951 458 R CB -0.500 29.756 30.300 -0.074 0.000 0.851 458 R HN 0.418 nan 8.270 nan 0.000 0.434 459 S N 0.219 115.862 115.700 -0.095 0.000 2.402 459 S HA -0.106 4.364 4.470 -0.000 0.000 0.229 459 S C 1.731 176.295 174.600 -0.060 0.000 1.021 459 S CA 0.992 59.138 58.200 -0.091 0.000 0.974 459 S CB -0.018 63.148 63.200 -0.058 0.000 0.800 459 S HN 0.434 nan 8.310 nan 0.000 0.484 460 Q N 0.223 120.000 119.800 -0.038 0.000 2.269 460 Q HA 0.131 4.471 4.340 -0.000 0.000 0.201 460 Q C 2.287 178.286 176.000 -0.000 0.000 0.946 460 Q CA 0.497 56.300 55.803 0.001 0.000 0.877 460 Q CB 0.053 28.813 28.738 0.037 0.000 0.963 460 Q HN 0.421 nan 8.270 nan 0.000 0.472 461 R N 0.329 120.777 120.500 -0.086 0.000 2.055 461 R HA -0.015 4.324 4.340 -0.000 0.000 0.226 461 R C 2.314 178.732 176.300 0.196 0.000 1.135 461 R CA 0.866 56.917 56.100 -0.081 0.000 0.959 461 R CB -0.178 29.903 30.300 -0.365 0.000 0.854 461 R HN 0.063 nan 8.270 nan 0.000 0.431 462 R N 0.488 121.007 120.500 0.033 0.000 2.117 462 R HA -0.129 4.211 4.340 -0.000 0.000 0.243 462 R C 1.984 178.280 176.300 -0.008 0.000 1.143 462 R CA 1.778 57.813 56.100 -0.108 0.000 0.968 462 R CB -0.516 29.390 30.300 -0.658 0.000 0.863 462 R HN 0.332 nan 8.270 nan 0.000 0.444 463 G N 0.125 108.917 108.800 -0.012 0.000 2.708 463 G HA2 -0.169 3.790 3.960 -0.000 0.000 0.210 463 G HA3 -0.169 3.790 3.960 -0.000 0.000 0.210 463 G C 1.070 176.015 174.900 0.076 0.000 1.141 463 G CA -0.083 45.016 45.100 -0.000 0.000 0.788 463 G HN 0.202 nan 8.290 nan 0.000 0.531 464 R N -0.212 120.391 120.500 0.171 0.000 2.310 464 R HA 0.116 4.455 4.340 -0.000 0.000 0.202 464 R C 0.656 177.102 176.300 0.244 0.000 0.933 464 R CA 0.169 56.417 56.100 0.248 0.000 1.054 464 R CB -0.351 30.161 30.300 0.355 0.000 0.985 464 R HN 0.278 nan 8.270 nan 0.000 0.489 465 T N -1.883 112.764 114.554 0.156 0.000 2.926 465 T HA 0.477 4.827 4.350 -0.000 0.000 0.289 465 T C 0.096 174.795 174.700 -0.001 0.000 1.054 465 T CA 0.206 62.375 62.100 0.116 0.000 1.015 465 T CB 1.492 70.450 68.868 0.150 0.000 1.167 465 T HN 0.363 nan 8.240 nan 0.000 0.526 466 G N 2.188 110.982 108.800 -0.009 0.000 2.272 466 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.280 466 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.280 466 G C -0.042 174.823 174.900 -0.057 0.000 1.067 466 G CA 0.670 45.732 45.100 -0.064 0.000 0.902 466 G HN 0.750 nan 8.290 nan 0.000 0.500 467 R N -0.187 120.303 120.500 -0.015 0.000 2.310 467 R HA 0.526 4.866 4.340 -0.000 0.000 0.316 467 R C 1.292 177.591 176.300 -0.002 0.000 1.004 467 R CA 0.283 56.384 56.100 0.001 0.000 0.900 467 R CB 0.123 30.418 30.300 -0.008 0.000 1.152 467 R HN 1.385 nan 8.270 nan 0.000 0.513 468 G N 3.980 112.790 108.800 0.018 0.000 2.143 468 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.248 468 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.248 468 G C -0.307 174.595 174.900 0.004 0.000 0.991 468 G CA 0.679 45.782 45.100 0.006 0.000 0.689 468 G HN 0.725 nan 8.290 nan 0.000 0.522 469 R N -2.809 117.700 120.500 0.015 0.000 2.888 469 R HA 0.521 4.861 4.340 -0.000 0.000 0.277 469 R C -0.711 175.603 176.300 0.024 0.000 0.981 469 R CA -1.249 54.859 56.100 0.013 0.000 0.841 469 R CB 0.494 30.791 30.300 -0.004 0.000 1.405 469 R HN 0.134 nan 8.270 nan 0.000 0.472 470 R N -0.150 120.364 120.500 0.024 0.000 2.438 470 R HA 0.506 4.846 4.340 -0.000 0.000 0.287 470 R C -0.062 176.259 176.300 0.035 0.000 1.077 470 R CA 0.362 56.483 56.100 0.035 0.000 1.034 470 R CB 1.483 31.804 30.300 0.035 0.000 0.993 470 R HN 0.705 nan 8.270 nan 0.000 0.459 471 G N 2.001 110.828 108.800 0.044 0.000 2.658 471 G HA2 0.681 4.641 3.960 -0.000 0.000 0.292 471 G HA3 0.681 4.641 3.960 -0.000 0.000 0.292 471 G C -0.943 174.010 174.900 0.088 0.000 1.320 471 G CA -0.681 44.456 45.100 0.061 0.000 0.933 471 G HN 0.407 nan 8.290 nan 0.000 0.476 472 I N 0.032 120.672 120.570 0.117 0.000 2.545 472 I HA 0.336 4.506 4.170 -0.000 0.000 0.292 472 I C -1.659 174.574 176.117 0.194 0.000 1.040 472 I CA -0.882 60.498 61.300 0.133 0.000 1.068 472 I CB 2.604 40.659 38.000 0.093 0.000 1.251 472 I HN 0.538 nan 8.210 nan 0.000 0.424 473 Y N 6.228 126.575 120.300 0.079 0.000 2.332 473 Y HA 0.538 5.087 4.550 -0.000 0.000 0.326 473 Y C -0.828 175.143 175.900 0.117 0.000 0.978 473 Y CA -0.670 57.499 58.100 0.115 0.000 1.205 473 Y CB 0.924 39.471 38.460 0.145 0.000 1.131 473 Y HN 0.466 nan 8.280 nan 0.000 0.462 474 R N 6.507 126.759 120.500 -0.413 0.000 2.460 474 R HA 0.601 4.941 4.340 -0.000 0.000 0.303 474 R C -1.504 174.465 176.300 -0.552 0.000 0.968 474 R CA -0.770 55.052 56.100 -0.463 0.000 0.889 474 R CB 1.492 31.599 30.300 -0.322 0.000 1.123 474 R HN 0.658 nan 8.270 nan 0.000 0.455 475 F N -1.866 117.896 119.950 -0.314 0.000 2.613 475 F HA 0.463 4.990 4.527 -0.000 0.000 0.314 475 F C 0.308 176.099 175.800 -0.016 0.000 1.075 475 F CA -1.281 56.600 58.000 -0.199 0.000 0.945 475 F CB 0.648 39.573 39.000 -0.126 0.000 1.310 475 F HN 0.084 nan 8.300 nan 0.000 0.467 476 V N 0.054 120.149 119.914 0.303 0.000 2.446 476 V HA 0.066 4.186 4.120 -0.000 0.000 0.244 476 V C 0.788 177.063 176.094 0.302 0.000 1.039 476 V CA 1.791 64.234 62.300 0.238 0.000 1.045 476 V CB -0.039 31.880 31.823 0.161 0.000 0.681 476 V HN 0.990 nan 8.190 nan 0.000 0.459 477 T N -3.218 111.538 114.554 0.336 0.000 2.909 477 T HA 0.459 4.809 4.350 -0.000 0.000 0.299 477 T C -2.428 172.293 174.700 0.035 0.000 1.073 477 T CA -1.727 60.503 62.100 0.217 0.000 0.999 477 T CB 2.371 71.291 68.868 0.088 0.000 1.098 477 T HN -0.012 nan 8.240 nan 0.000 0.477 478 P HA 0.199 nan 4.420 nan 0.000 0.230 478 P C 1.071 178.279 177.300 -0.153 0.000 1.168 478 P CA 0.191 63.114 63.100 -0.295 0.000 0.793 478 P CB -0.358 31.264 31.700 -0.129 0.000 0.851 479 G N 0.774 109.538 108.800 -0.060 0.000 2.257 479 G HA2 0.035 3.995 3.960 -0.000 0.000 0.235 479 G HA3 0.035 3.995 3.960 -0.000 0.000 0.235 479 G C -0.253 174.620 174.900 -0.045 0.000 1.225 479 G CA 0.134 45.213 45.100 -0.035 0.000 0.878 479 G HN 0.246 nan 8.290 nan 0.000 0.505 480 E N 0.526 120.705 120.200 -0.034 0.000 2.450 480 E HA 0.662 5.012 4.350 -0.000 0.000 0.272 480 E C -0.584 176.006 176.600 -0.017 0.000 0.967 480 E CA -1.067 55.316 56.400 -0.029 0.000 0.818 480 E CB 1.554 31.232 29.700 -0.037 0.000 1.401 480 E HN 0.393 nan 8.360 nan 0.000 0.450 481 R N 0.827 121.321 120.500 -0.011 0.000 2.698 481 R HA 0.394 4.734 4.340 -0.000 0.000 0.275 481 R C -2.705 173.595 176.300 -0.001 0.000 1.001 481 R CA -2.110 53.982 56.100 -0.012 0.000 0.896 481 R CB 1.850 32.146 30.300 -0.007 0.000 1.218 481 R HN 0.423 nan 8.270 nan 0.000 0.462 482 P HA -0.039 nan 4.420 nan 0.000 0.264 482 P C -0.298 177.067 177.300 0.108 0.000 1.183 482 P CA 0.346 63.452 63.100 0.009 0.000 0.763 482 P CB 0.586 32.151 31.700 -0.225 0.000 0.807 483 S N 1.482 117.292 115.700 0.183 0.000 2.713 483 S HA 0.681 5.151 4.470 -0.000 0.000 0.283 483 S C 1.106 175.833 174.600 0.211 0.000 1.161 483 S CA 0.062 58.359 58.200 0.161 0.000 0.999 483 S CB 1.197 64.463 63.200 0.109 0.000 1.039 483 S HN 0.830 nan 8.310 nan 0.000 0.548 484 G N 0.001 108.901 108.800 0.166 0.000 2.213 484 G HA2 -0.184 3.775 3.960 -0.000 0.000 0.226 484 G HA3 -0.184 3.775 3.960 -0.000 0.000 0.226 484 G C -0.048 174.958 174.900 0.177 0.000 0.992 484 G CA 0.198 45.384 45.100 0.143 0.000 0.632 484 G HN 1.119 nan 8.290 nan 0.000 0.511 485 M N -0.282 119.435 119.600 0.195 0.000 2.528 485 M HA 0.856 5.336 4.480 -0.000 0.000 0.321 485 M C -0.160 176.256 176.300 0.193 0.000 1.153 485 M CA -1.207 54.172 55.300 0.131 0.000 0.951 485 M CB 1.879 34.528 32.600 0.082 0.000 1.705 485 M HN 0.434 nan 8.290 nan 0.000 0.451 486 F N -1.161 118.812 119.950 0.038 0.000 2.654 486 F HA 0.823 5.350 4.527 -0.000 0.000 0.334 486 F C -0.947 174.859 175.800 0.010 0.000 1.078 486 F CA -1.159 56.849 58.000 0.014 0.000 0.986 486 F CB 0.831 39.824 39.000 -0.011 0.000 1.362 486 F HN 0.666 nan 8.300 nan 0.000 0.498 487 D N -0.096 120.436 120.400 0.221 0.000 2.253 487 D HA 0.235 4.875 4.640 -0.000 0.000 0.249 487 D C 1.085 177.483 176.300 0.163 0.000 1.049 487 D CA -0.123 53.942 54.000 0.109 0.000 0.929 487 D CB 2.041 42.906 40.800 0.108 0.000 1.176 487 D HN 0.679 nan 8.370 nan 0.000 0.437 488 S N 0.983 116.770 115.700 0.145 0.000 2.402 488 S HA -0.222 4.247 4.470 -0.000 0.000 0.233 488 S C 1.888 176.667 174.600 0.298 0.000 1.030 488 S CA 2.026 60.427 58.200 0.334 0.000 1.003 488 S CB -0.498 63.075 63.200 0.622 0.000 0.813 488 S HN 0.574 nan 8.310 nan 0.000 0.477 489 S N 0.520 116.338 115.700 0.197 0.000 2.419 489 S HA -0.060 4.409 4.470 -0.000 0.000 0.235 489 S C 1.744 176.360 174.600 0.027 0.000 1.019 489 S CA 1.253 59.502 58.200 0.083 0.000 0.982 489 S CB -0.796 62.494 63.200 0.149 0.000 0.789 489 S HN 0.385 nan 8.310 nan 0.000 0.490 490 V N 2.237 122.203 119.914 0.087 0.000 2.427 490 V HA -0.098 4.022 4.120 -0.000 0.000 0.248 490 V C 2.508 178.557 176.094 -0.074 0.000 1.051 490 V CA 1.538 63.840 62.300 0.003 0.000 1.048 490 V CB -0.901 30.941 31.823 0.032 0.000 0.666 490 V HN 0.484 nan 8.190 nan 0.000 0.456 491 L N -0.411 120.819 121.223 0.012 0.000 2.012 491 L HA -0.280 4.059 4.340 -0.000 0.000 0.210 491 L C 2.760 179.471 176.870 -0.265 0.000 1.073 491 L CA 1.988 56.801 54.840 -0.045 0.000 0.748 491 L CB -1.015 41.152 42.059 0.180 0.000 0.891 491 L HN 0.503 nan 8.230 nan 0.000 0.431 492 C N 0.599 119.442 119.300 -0.761 0.000 2.398 492 C HA -0.204 4.256 4.460 -0.000 0.000 0.276 492 C C 2.653 177.542 174.990 -0.168 0.000 1.222 492 C CA 1.394 59.893 59.018 -0.864 0.000 1.746 492 C CB -0.733 26.182 27.740 -1.376 0.000 2.039 492 C HN 0.513 nan 8.230 nan 0.000 0.470 493 E N -0.723 119.400 120.200 -0.129 0.000 2.118 493 E HA -0.232 4.117 4.350 -0.000 0.000 0.195 493 E C 2.257 178.702 176.600 -0.258 0.000 0.992 493 E CA 1.841 58.084 56.400 -0.261 0.000 0.804 493 E CB -0.207 29.274 29.700 -0.365 0.000 0.741 493 E HN 0.789 nan 8.360 nan 0.000 0.458 494 C N -0.033 119.101 119.300 -0.276 0.000 2.429 494 C HA -0.140 4.320 4.460 -0.000 0.000 0.277 494 C C 2.377 177.108 174.990 -0.432 0.000 1.262 494 C CA 0.475 59.291 59.018 -0.338 0.000 1.733 494 C CB -1.061 26.433 27.740 -0.409 0.000 2.010 494 C HN 0.466 nan 8.230 nan 0.000 0.483 495 Y N 0.794 120.798 120.300 -0.493 0.000 2.163 495 Y HA -0.177 4.372 4.550 -0.000 0.000 0.288 495 Y C 2.467 177.797 175.900 -0.950 0.000 1.136 495 Y CA 1.918 59.529 58.100 -0.815 0.000 1.147 495 Y CB -0.672 37.026 38.460 -1.270 0.000 0.987 495 Y HN 0.378 nan 8.280 nan 0.000 0.509 496 D N 0.074 120.090 120.400 -0.640 0.000 2.106 496 D HA -0.248 4.392 4.640 -0.000 0.000 0.191 496 D C 2.234 178.449 176.300 -0.142 0.000 0.997 496 D CA 1.610 55.517 54.000 -0.154 0.000 0.834 496 D CB -0.023 40.901 40.800 0.207 0.000 0.956 496 D HN 0.361 nan 8.370 nan 0.000 0.448 497 A N 0.621 123.357 122.820 -0.140 0.000 1.898 497 A HA -0.028 4.292 4.320 -0.000 0.000 0.216 497 A C 2.421 179.910 177.584 -0.159 0.000 1.181 497 A CA 2.131 54.123 52.037 -0.076 0.000 0.620 497 A CB -1.134 17.848 19.000 -0.029 0.000 0.819 497 A HN 0.383 nan 8.150 nan 0.000 0.442 498 G N -0.842 107.880 108.800 -0.130 0.000 2.469 498 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.219 498 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.219 498 G C 1.581 176.410 174.900 -0.119 0.000 1.150 498 G CA 1.426 46.496 45.100 -0.050 0.000 0.763 498 G HN 0.526 nan 8.290 nan 0.000 0.561 499 C N 0.448 119.590 119.300 -0.264 0.000 2.475 499 C HA 0.371 4.831 4.460 -0.000 0.000 0.279 499 C C 3.500 178.390 174.990 -0.167 0.000 1.322 499 C CA 0.680 59.487 59.018 -0.351 0.000 1.734 499 C CB -0.711 26.442 27.740 -0.978 0.000 2.005 499 C HN 0.566 nan 8.230 nan 0.000 0.495 500 A N -1.295 121.448 122.820 -0.130 0.000 1.898 500 A HA -0.086 4.233 4.320 -0.000 0.000 0.214 500 A C 1.714 179.073 177.584 -0.376 0.000 1.183 500 A CA 1.094 53.029 52.037 -0.170 0.000 0.622 500 A CB -0.537 18.300 19.000 -0.272 0.000 0.824 500 A HN 0.784 nan 8.150 nan 0.000 0.444 501 W N -3.592 117.483 121.300 -0.374 0.000 2.868 501 W HA 0.286 4.946 4.660 -0.000 0.000 0.320 501 W C 0.473 176.707 176.519 -0.476 0.000 1.076 501 W CA -0.113 56.886 57.345 -0.576 0.000 1.576 501 W CB 0.694 29.533 29.460 -1.036 0.000 1.030 501 W HN 0.361 nan 8.180 nan 0.000 0.558 502 Y N -0.285 120.118 120.300 0.172 0.000 2.728 502 Y HA 0.183 4.733 4.550 -0.000 0.000 0.256 502 Y C 0.432 176.351 175.900 0.032 0.000 1.112 502 Y CA -1.313 56.837 58.100 0.083 0.000 1.240 502 Y CB -0.577 37.902 38.460 0.032 0.000 1.337 502 Y HN -0.093 nan 8.280 nan 0.000 0.559 503 E N 0.104 120.379 120.200 0.124 0.000 2.805 503 E HA -0.229 4.121 4.350 -0.000 0.000 0.266 503 E C -0.566 176.070 176.600 0.060 0.000 1.092 503 E CA 0.524 56.970 56.400 0.076 0.000 0.781 503 E CB -1.655 28.092 29.700 0.077 0.000 1.379 503 E HN 0.394 nan 8.360 nan 0.000 0.433 504 L N 1.680 122.943 121.223 0.066 0.000 2.410 504 L HA 0.152 4.492 4.340 -0.000 0.000 0.273 504 L C 1.310 178.179 176.870 -0.000 0.000 1.152 504 L CA 0.132 54.990 54.840 0.030 0.000 0.855 504 L CB 0.297 42.374 42.059 0.030 0.000 1.129 504 L HN 0.100 nan 8.230 nan 0.000 0.463 505 T N 0.262 114.823 114.554 0.012 0.000 2.898 505 T HA 0.142 4.492 4.350 -0.000 0.000 0.301 505 T C -1.821 172.907 174.700 0.046 0.000 1.049 505 T CA -1.542 60.571 62.100 0.023 0.000 1.095 505 T CB 1.032 69.921 68.868 0.035 0.000 0.976 505 T HN 0.356 nan 8.240 nan 0.000 0.539 506 P HA -0.107 nan 4.420 nan 0.000 0.216 506 P C 1.754 179.193 177.300 0.231 0.000 1.153 506 P CA 1.660 64.899 63.100 0.232 0.000 0.858 506 P CB -0.336 31.476 31.700 0.186 0.000 0.789 507 A N -0.279 122.621 122.820 0.134 0.000 1.892 507 A HA -0.281 4.039 4.320 -0.000 0.000 0.218 507 A C 2.208 179.841 177.584 0.082 0.000 1.188 507 A CA 2.159 54.261 52.037 0.108 0.000 0.631 507 A CB -1.413 17.630 19.000 0.071 0.000 0.822 507 A HN 0.151 nan 8.150 nan 0.000 0.447 508 E N -0.942 119.289 120.200 0.051 0.000 2.072 508 E HA -0.096 4.253 4.350 -0.000 0.000 0.191 508 E C 2.143 178.738 176.600 -0.010 0.000 0.985 508 E CA 1.705 58.117 56.400 0.019 0.000 0.801 508 E CB -0.299 29.405 29.700 0.006 0.000 0.750 508 E HN 0.607 nan 8.360 nan 0.000 0.452 509 T N -0.147 114.382 114.554 -0.042 0.000 2.803 509 T HA -0.137 4.213 4.350 -0.000 0.000 0.269 509 T C 2.008 176.611 174.700 -0.162 0.000 1.052 509 T CA 1.248 63.236 62.100 -0.187 0.000 1.136 509 T CB -0.217 68.393 68.868 -0.430 0.000 0.864 509 T HN 0.028 nan 8.240 nan 0.000 0.467 510 S N 0.655 116.374 115.700 0.031 0.000 2.355 510 S HA -0.075 4.395 4.470 -0.000 0.000 0.222 510 S C 2.351 176.994 174.600 0.072 0.000 1.031 510 S CA 0.820 59.097 58.200 0.127 0.000 0.993 510 S CB -0.433 62.900 63.200 0.222 0.000 0.859 510 S HN 0.317 nan 8.310 nan 0.000 0.453 511 V N 2.407 122.353 119.914 0.053 0.000 2.324 511 V HA -0.260 3.860 4.120 -0.000 0.000 0.250 511 V C 2.369 178.485 176.094 0.036 0.000 1.060 511 V CA 1.879 64.205 62.300 0.043 0.000 1.042 511 V CB -0.749 31.092 31.823 0.030 0.000 0.650 511 V HN 0.427 nan 8.190 nan 0.000 0.450 512 R N -0.255 120.251 120.500 0.009 0.000 2.073 512 R HA 0.033 4.372 4.340 -0.000 0.000 0.229 512 R C 2.297 178.617 176.300 0.032 0.000 1.120 512 R CA 1.113 57.220 56.100 0.012 0.000 0.967 512 R CB -0.412 29.872 30.300 -0.026 0.000 0.862 512 R HN 0.407 nan 8.270 nan 0.000 0.436 513 L N 0.400 121.618 121.223 -0.008 0.000 2.056 513 L HA -0.106 4.233 4.340 -0.000 0.000 0.207 513 L C 2.711 179.660 176.870 0.132 0.000 1.078 513 L CA 1.015 55.871 54.840 0.028 0.000 0.749 513 L CB -0.486 41.553 42.059 -0.033 0.000 0.901 513 L HN 0.111 nan 8.230 nan 0.000 0.433 514 R N 0.484 121.051 120.500 0.112 0.000 2.112 514 R HA -0.226 4.114 4.340 -0.000 0.000 0.242 514 R C 2.335 178.705 176.300 0.116 0.000 1.137 514 R CA 1.908 58.076 56.100 0.114 0.000 0.944 514 R CB -0.820 29.533 30.300 0.089 0.000 0.857 514 R HN 0.411 nan 8.270 nan 0.000 0.435 515 A N -0.119 122.764 122.820 0.105 0.000 1.940 515 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 515 A C 2.079 179.736 177.584 0.122 0.000 1.176 515 A CA 1.463 53.558 52.037 0.096 0.000 0.631 515 A CB -0.759 18.290 19.000 0.082 0.000 0.814 515 A HN 0.486 nan 8.150 nan 0.000 0.446 516 Y N -0.114 120.206 120.300 0.034 0.000 2.133 516 Y HA -0.142 4.408 4.550 -0.000 0.000 0.287 516 Y C 1.960 177.896 175.900 0.060 0.000 1.134 516 Y CA 1.828 59.950 58.100 0.038 0.000 1.133 516 Y CB -0.364 38.111 38.460 0.025 0.000 0.987 516 Y HN 0.197 nan 8.280 nan 0.000 0.502 517 L N 0.891 122.324 121.223 0.349 0.000 2.046 517 L HA -0.242 4.098 4.340 -0.000 0.000 0.208 517 L C 1.833 178.761 176.870 0.096 0.000 1.077 517 L CA 1.591 56.574 54.840 0.238 0.000 0.747 517 L CB -1.128 41.047 42.059 0.193 0.000 0.896 517 L HN 0.253 nan 8.230 nan 0.000 0.432 518 N N -0.994 117.753 118.700 0.078 0.000 2.635 518 N HA -0.067 4.673 4.740 -0.000 0.000 0.191 518 N C 0.005 175.525 175.510 0.016 0.000 1.155 518 N CA 0.502 53.577 53.050 0.042 0.000 0.927 518 N CB -0.261 38.253 38.487 0.046 0.000 0.976 518 N HN 0.289 nan 8.380 nan 0.000 0.448 519 T N 3.014 117.559 114.554 -0.015 0.000 2.756 519 T HA 0.293 4.643 4.350 -0.000 0.000 0.290 519 T C -2.432 172.248 174.700 -0.033 0.000 0.985 519 T CA -1.332 60.747 62.100 -0.035 0.000 0.955 519 T CB 2.395 71.203 68.868 -0.101 0.000 0.930 519 T HN 0.028 nan 8.240 nan 0.000 0.451 520 P HA 0.355 nan 4.420 nan 0.000 0.272 520 P C 0.968 178.294 177.300 0.043 0.000 1.223 520 P CA 0.232 63.329 63.100 -0.005 0.000 0.784 520 P CB 0.882 32.564 31.700 -0.030 0.000 0.923 521 G N 0.924 109.726 108.800 0.004 0.000 2.317 521 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.227 521 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.227 521 G C 0.055 175.027 174.900 0.121 0.000 1.042 521 G CA -0.129 45.016 45.100 0.076 0.000 0.623 521 G HN 0.484 nan 8.290 nan 0.000 0.509 522 L N 2.235 123.491 121.223 0.055 0.000 2.466 522 L HA 0.444 4.784 4.340 -0.000 0.000 0.257 522 L C -1.595 175.311 176.870 0.060 0.000 1.189 522 L CA -1.942 52.886 54.840 -0.020 0.000 0.813 522 L CB 0.403 42.276 42.059 -0.311 0.000 1.118 522 L HN -0.002 nan 8.230 nan 0.000 0.471 523 P HA 0.079 nan 4.420 nan 0.000 0.269 523 P C -1.153 176.350 177.300 0.338 0.000 1.215 523 P CA -0.186 63.076 63.100 0.270 0.000 0.780 523 P CB 0.703 32.635 31.700 0.387 0.000 0.898 524 V N -0.416 119.581 119.914 0.138 0.000 2.864 524 V HA 0.802 4.922 4.120 -0.000 0.000 0.314 524 V C -0.766 175.071 176.094 -0.428 0.000 1.073 524 V CA -0.837 61.433 62.300 -0.051 0.000 0.956 524 V CB 1.706 33.503 31.823 -0.042 0.000 1.023 524 V HN 0.785 nan 8.190 nan 0.000 0.435 525 C N 3.121 122.100 119.300 -0.534 0.000 2.994 525 C HA 0.560 5.020 4.460 -0.000 0.000 0.305 525 C C -0.309 174.455 174.990 -0.377 0.000 1.251 525 C CA -0.317 58.260 59.018 -0.736 0.000 1.478 525 C CB 1.960 28.936 27.740 -1.273 0.000 1.922 525 C HN 1.070 nan 8.230 nan 0.000 0.472 526 Q N 2.450 122.027 119.800 -0.373 0.000 2.349 526 Q HA 0.059 4.399 4.340 -0.000 0.000 0.287 526 Q C -0.252 175.526 176.000 -0.370 0.000 1.044 526 Q CA 0.779 56.348 55.803 -0.389 0.000 0.918 526 Q CB 0.503 28.889 28.738 -0.587 0.000 1.242 526 Q HN 0.734 nan 8.270 nan 0.000 0.405 527 D N 1.862 122.152 120.400 -0.184 0.000 2.435 527 D HA 0.024 4.664 4.640 -0.000 0.000 0.230 527 D C -0.292 176.107 176.300 0.165 0.000 1.215 527 D CA 0.091 54.091 54.000 -0.001 0.000 0.947 527 D CB -0.276 40.549 40.800 0.042 0.000 1.048 527 D HN 0.435 nan 8.370 nan 0.000 0.512 528 H N 3.406 122.594 119.070 0.197 0.000 2.467 528 H HA 0.182 4.738 4.556 -0.000 0.000 0.275 528 H C 1.547 177.082 175.328 0.345 0.000 1.131 528 H CA -0.387 55.792 56.048 0.219 0.000 0.989 528 H CB 0.905 30.829 29.762 0.269 0.000 1.696 528 H HN 0.261 nan 8.280 nan 0.000 0.574 529 L N 0.271 121.739 121.223 0.408 0.000 1.994 529 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 529 L C 2.209 179.231 176.870 0.254 0.000 1.071 529 L CA 1.192 56.275 54.840 0.406 0.000 0.745 529 L CB -0.202 42.050 42.059 0.322 0.000 0.892 529 L HN 0.410 nan 8.230 nan 0.000 0.431 530 E N 0.015 120.318 120.200 0.171 0.000 2.097 530 E HA -0.271 4.079 4.350 -0.000 0.000 0.196 530 E C 1.974 178.582 176.600 0.014 0.000 1.000 530 E CA 1.552 58.002 56.400 0.084 0.000 0.804 530 E CB -0.496 29.243 29.700 0.064 0.000 0.740 530 E HN 0.418 nan 8.360 nan 0.000 0.454 531 F N -0.066 119.802 119.950 -0.138 0.000 2.075 531 F HA -0.178 4.349 4.527 -0.000 0.000 0.297 531 F C 2.101 177.715 175.800 -0.309 0.000 1.113 531 F CA 1.544 59.352 58.000 -0.320 0.000 1.218 531 F CB -0.678 37.969 39.000 -0.587 0.000 0.984 531 F HN -0.017 nan 8.300 nan 0.000 0.472 532 W N 0.975 122.123 121.300 -0.254 0.000 2.388 532 W HA -0.107 4.553 4.660 -0.000 0.000 0.294 532 W C 2.629 178.737 176.519 -0.684 0.000 1.212 532 W CA 1.273 58.318 57.345 -0.500 0.000 1.271 532 W CB -0.524 28.766 29.460 -0.282 0.000 1.126 532 W HN 0.139 nan 8.180 nan 0.000 0.535 533 E N 0.595 120.532 120.200 -0.438 0.000 2.085 533 E HA -0.267 4.083 4.350 -0.000 0.000 0.194 533 E C 2.339 178.869 176.600 -0.117 0.000 0.994 533 E CA 1.958 58.172 56.400 -0.310 0.000 0.801 533 E CB -0.259 29.422 29.700 -0.032 0.000 0.743 533 E HN 0.204 nan 8.360 nan 0.000 0.453 534 S N -0.294 115.313 115.700 -0.154 0.000 2.382 534 S HA -0.122 4.347 4.470 -0.000 0.000 0.228 534 S C 2.091 176.673 174.600 -0.031 0.000 1.027 534 S CA 1.289 59.437 58.200 -0.087 0.000 0.991 534 S CB -0.443 62.661 63.200 -0.160 0.000 0.823 534 S HN 0.162 nan 8.310 nan 0.000 0.469 535 V N 0.720 120.500 119.914 -0.223 0.000 2.261 535 V HA -0.075 4.044 4.120 -0.000 0.000 0.246 535 V C 2.281 178.371 176.094 -0.007 0.000 1.047 535 V CA 2.053 64.282 62.300 -0.118 0.000 1.015 535 V CB -0.985 30.650 31.823 -0.313 0.000 0.642 535 V HN 0.509 nan 8.190 nan 0.000 0.446 536 F N 0.394 120.321 119.950 -0.039 0.000 2.259 536 F HA -0.124 4.403 4.527 -0.000 0.000 0.298 536 F C 2.561 178.334 175.800 -0.045 0.000 1.088 536 F CA 1.603 59.588 58.000 -0.025 0.000 1.358 536 F CB -0.891 38.077 39.000 -0.053 0.000 1.040 536 F HN 0.073 nan 8.300 nan 0.000 0.505 537 T N -0.818 113.818 114.554 0.136 0.000 2.737 537 T HA -0.195 4.155 4.350 -0.000 0.000 0.269 537 T C 2.149 176.811 174.700 -0.062 0.000 1.040 537 T CA 1.539 63.673 62.100 0.057 0.000 1.142 537 T CB -0.817 68.097 68.868 0.078 0.000 0.861 537 T HN 0.436 nan 8.240 nan 0.000 0.456 538 G N 0.482 109.181 108.800 -0.169 0.000 2.985 538 G HA2 0.255 4.215 3.960 -0.000 0.000 0.209 538 G HA3 0.255 4.215 3.960 -0.000 0.000 0.209 538 G C 0.414 175.074 174.900 -0.400 0.000 1.165 538 G CA -0.272 44.477 45.100 -0.585 0.000 0.776 538 G HN 0.445 nan 8.290 nan 0.000 0.541 539 L N 3.272 124.314 121.223 -0.301 0.000 2.399 539 L HA 0.257 4.597 4.340 -0.000 0.000 0.257 539 L C 0.379 177.180 176.870 -0.115 0.000 1.236 539 L CA -0.419 54.050 54.840 -0.619 0.000 1.144 539 L CB -0.372 41.226 42.059 -0.768 0.000 1.379 539 L HN 0.050 nan 8.230 nan 0.000 0.414 540 T N -2.598 112.009 114.554 0.089 0.000 2.902 540 T HA 0.328 4.677 4.350 -0.000 0.000 0.283 540 T C 0.322 175.163 174.700 0.235 0.000 1.009 540 T CA -0.605 61.523 62.100 0.048 0.000 1.051 540 T CB 1.108 69.843 68.868 -0.222 0.000 0.999 540 T HN 0.539 nan 8.240 nan 0.000 0.474 541 H N -0.378 118.838 119.070 0.244 0.000 2.765 541 H HA -0.131 4.425 4.556 -0.000 0.000 0.332 541 H C -0.022 175.360 175.328 0.090 0.000 1.180 541 H CA 0.134 56.267 56.048 0.141 0.000 1.142 541 H CB -1.488 28.325 29.762 0.085 0.000 1.576 541 H HN 0.786 nan 8.280 nan 0.000 0.420 542 I N 0.828 121.524 120.570 0.211 0.000 2.779 542 I HA -0.009 4.161 4.170 -0.000 0.000 0.285 542 I C 1.085 177.202 176.117 -0.000 0.000 1.134 542 I CA 0.144 61.459 61.300 0.025 0.000 1.398 542 I CB 0.540 38.571 38.000 0.053 0.000 1.404 542 I HN 0.267 nan 8.210 nan 0.000 0.587 543 D N 5.771 126.137 120.400 -0.056 0.000 2.358 543 D HA 0.067 4.707 4.640 -0.000 0.000 0.258 543 D C 0.680 176.944 176.300 -0.061 0.000 1.223 543 D CA 0.207 54.143 54.000 -0.108 0.000 0.886 543 D CB 1.564 42.183 40.800 -0.301 0.000 1.120 543 D HN 0.716 nan 8.370 nan 0.000 0.482 544 A N 4.469 127.266 122.820 -0.040 0.000 1.933 544 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 544 A C 1.992 179.600 177.584 0.039 0.000 1.175 544 A CA 1.331 53.371 52.037 0.005 0.000 0.628 544 A CB -0.617 18.386 19.000 0.006 0.000 0.814 544 A HN 0.887 nan 8.150 nan 0.000 0.444 545 H N -2.088 116.894 119.070 -0.147 0.000 2.353 545 H HA -0.157 4.399 4.556 -0.000 0.000 0.300 545 H C 1.789 177.113 175.328 -0.006 0.000 1.090 545 H CA 1.495 57.469 56.048 -0.124 0.000 1.327 545 H CB -0.073 29.561 29.762 -0.212 0.000 1.383 545 H HN 0.468 nan 8.280 nan 0.000 0.508 546 F N 0.429 120.359 119.950 -0.035 0.000 2.102 546 F HA -0.175 4.352 4.527 -0.000 0.000 0.298 546 F C 2.486 178.241 175.800 -0.075 0.000 1.105 546 F CA 0.573 58.510 58.000 -0.105 0.000 1.239 546 F CB -1.127 37.819 39.000 -0.089 0.000 0.991 546 F HN 0.194 nan 8.300 nan 0.000 0.474 547 L N -0.353 120.941 121.223 0.119 0.000 2.043 547 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 547 L C 2.620 179.473 176.870 -0.029 0.000 1.075 547 L CA 1.912 56.757 54.840 0.009 0.000 0.752 547 L CB -1.280 40.767 42.059 -0.020 0.000 0.891 547 L HN 0.160 nan 8.230 nan 0.000 0.432 548 S N -1.286 114.426 115.700 0.019 0.000 2.359 548 S HA -0.257 4.213 4.470 -0.000 0.000 0.224 548 S C 1.917 176.539 174.600 0.037 0.000 1.035 548 S CA 1.700 59.912 58.200 0.021 0.000 1.018 548 S CB -0.172 63.093 63.200 0.108 0.000 0.876 548 S HN 0.683 nan 8.310 nan 0.000 0.448 549 Q N -0.110 119.730 119.800 0.067 0.000 2.079 549 Q HA -0.096 4.244 4.340 -0.000 0.000 0.200 549 Q C 2.537 178.553 176.000 0.027 0.000 0.974 549 Q CA 1.874 57.707 55.803 0.051 0.000 0.840 549 Q CB -0.602 28.153 28.738 0.029 0.000 0.898 549 Q HN 0.854 nan 8.270 nan 0.000 0.430 550 T N -0.614 113.945 114.554 0.009 0.000 2.777 550 T HA -0.104 4.246 4.350 -0.000 0.000 0.266 550 T C 1.705 176.405 174.700 0.001 0.000 1.040 550 T CA 0.981 63.077 62.100 -0.006 0.000 1.141 550 T CB -0.105 68.754 68.868 -0.015 0.000 0.868 550 T HN 0.123 nan 8.240 nan 0.000 0.444 551 K N 1.004 121.363 120.400 -0.068 0.000 2.020 551 K HA -0.225 4.095 4.320 -0.000 0.000 0.212 551 K C 2.652 179.328 176.600 0.126 0.000 1.050 551 K CA 2.033 58.251 56.287 -0.116 0.000 0.929 551 K CB -0.311 31.873 32.500 -0.527 0.000 0.714 551 K HN 0.474 nan 8.250 nan 0.000 0.443 552 Q N 1.087 120.939 119.800 0.086 0.000 2.061 552 Q HA -0.143 4.196 4.340 -0.000 0.000 0.204 552 Q C 1.855 177.928 176.000 0.121 0.000 0.984 552 Q CA 2.078 57.961 55.803 0.134 0.000 0.846 552 Q CB -0.357 28.440 28.738 0.098 0.000 0.902 552 Q HN 0.288 nan 8.270 nan 0.000 0.421 553 A N -0.298 122.573 122.820 0.085 0.000 2.019 553 A HA 0.137 4.457 4.320 -0.000 0.000 0.219 553 A C 1.883 179.513 177.584 0.078 0.000 1.164 553 A CA 1.432 53.508 52.037 0.066 0.000 0.644 553 A CB -1.134 17.887 19.000 0.035 0.000 0.805 553 A HN 1.067 nan 8.150 nan 0.000 0.449 554 G N -0.999 107.871 108.800 0.115 0.000 2.148 554 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.254 554 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.254 554 G C -0.256 174.695 174.900 0.085 0.000 0.981 554 G CA 0.379 45.559 45.100 0.134 0.000 0.670 554 G HN 0.524 nan 8.290 nan 0.000 0.528 555 D N 0.425 120.858 120.400 0.055 0.000 2.383 555 D HA 0.360 5.000 4.640 -0.000 0.000 0.248 555 D C 0.918 177.236 176.300 0.030 0.000 1.170 555 D CA -0.614 53.401 54.000 0.025 0.000 0.977 555 D CB 0.282 41.076 40.800 -0.009 0.000 1.120 555 D HN 0.115 nan 8.370 nan 0.000 0.481 556 N N 0.032 118.740 118.700 0.014 0.000 2.329 556 N HA -0.036 4.704 4.740 -0.000 0.000 0.237 556 N C -0.015 175.544 175.510 0.082 0.000 1.258 556 N CA 0.201 53.225 53.050 -0.043 0.000 0.866 556 N CB -0.178 38.309 38.487 0.001 0.000 1.102 556 N HN 0.349 nan 8.380 nan 0.000 0.440 557 F N -1.838 118.146 119.950 0.056 0.000 2.969 557 F HA -0.180 4.346 4.527 -0.000 0.000 0.273 557 F C -1.160 174.692 175.800 0.088 0.000 0.986 557 F CA -0.155 57.898 58.000 0.088 0.000 0.926 557 F CB -1.476 37.563 39.000 0.064 0.000 0.887 557 F HN 0.546 nan 8.300 nan 0.000 0.816 558 P HA -0.251 nan 4.420 nan 0.000 0.216 558 P C 1.672 179.066 177.300 0.155 0.000 1.150 558 P CA 1.743 64.906 63.100 0.105 0.000 0.837 558 P CB 0.019 31.735 31.700 0.027 0.000 0.786 559 Y N 0.943 121.326 120.300 0.138 0.000 2.089 559 Y HA -0.161 4.389 4.550 -0.000 0.000 0.282 559 Y C 2.571 178.654 175.900 0.306 0.000 1.139 559 Y CA 1.614 59.844 58.100 0.216 0.000 1.123 559 Y CB -1.019 37.603 38.460 0.270 0.000 0.980 559 Y HN -0.278 nan 8.280 nan 0.000 0.493 560 L N -1.175 120.340 121.223 0.486 0.000 2.083 560 L HA -0.234 4.106 4.340 -0.000 0.000 0.209 560 L C 2.230 179.320 176.870 0.367 0.000 1.083 560 L CA 1.014 56.075 54.840 0.368 0.000 0.752 560 L CB -0.761 41.372 42.059 0.123 0.000 0.899 560 L HN 0.160 nan 8.230 nan 0.000 0.433 561 V N 0.074 120.134 119.914 0.243 0.000 2.358 561 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 561 V C 2.748 178.949 176.094 0.177 0.000 1.047 561 V CA 1.813 64.195 62.300 0.138 0.000 1.035 561 V CB -0.848 30.902 31.823 -0.123 0.000 0.658 561 V HN 0.472 nan 8.190 nan 0.000 0.452 562 A N -1.287 121.585 122.820 0.087 0.000 1.930 562 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 562 A C 2.149 179.752 177.584 0.033 0.000 1.175 562 A CA 1.756 53.814 52.037 0.035 0.000 0.627 562 A CB -0.738 18.261 19.000 -0.001 0.000 0.815 562 A HN 0.583 nan 8.150 nan 0.000 0.443 563 Y N 0.116 120.375 120.300 -0.069 0.000 2.145 563 Y HA -0.269 4.281 4.550 -0.000 0.000 0.286 563 Y C 2.713 178.615 175.900 0.003 0.000 1.145 563 Y CA 2.395 60.467 58.100 -0.048 0.000 1.148 563 Y CB -0.204 38.227 38.460 -0.048 0.000 0.981 563 Y HN 0.451 nan 8.280 nan 0.000 0.507 564 Q N 0.320 120.253 119.800 0.220 0.000 2.084 564 Q HA -0.163 4.176 4.340 -0.000 0.000 0.202 564 Q C 2.225 178.138 176.000 -0.146 0.000 0.978 564 Q CA 1.900 57.710 55.803 0.013 0.000 0.844 564 Q CB -0.601 28.203 28.738 0.110 0.000 0.898 564 Q HN 0.474 nan 8.270 nan 0.000 0.426 565 A N -0.602 122.174 122.820 -0.073 0.000 1.940 565 A HA -0.213 4.106 4.320 -0.000 0.000 0.219 565 A C 2.296 179.720 177.584 -0.265 0.000 1.176 565 A CA 2.055 53.897 52.037 -0.326 0.000 0.631 565 A CB -1.106 17.548 19.000 -0.577 0.000 0.814 565 A HN 0.518 nan 8.150 nan 0.000 0.446 566 T N -0.538 113.965 114.554 -0.084 0.000 2.701 566 T HA -0.104 4.246 4.350 -0.000 0.000 0.263 566 T C 1.897 176.526 174.700 -0.117 0.000 1.040 566 T CA 1.494 63.613 62.100 0.031 0.000 1.147 566 T CB -0.479 68.250 68.868 -0.231 0.000 0.865 566 T HN 0.140 nan 8.240 nan 0.000 0.426 567 V N 1.061 120.809 119.914 -0.276 0.000 2.287 567 V HA -0.249 3.870 4.120 -0.000 0.000 0.248 567 V C 2.853 178.832 176.094 -0.193 0.000 1.053 567 V CA 1.523 63.659 62.300 -0.274 0.000 1.027 567 V CB -0.787 30.778 31.823 -0.431 0.000 0.646 567 V HN 0.630 nan 8.190 nan 0.000 0.447 568 C N -0.150 119.016 119.300 -0.223 0.000 2.396 568 C HA -0.189 4.271 4.460 -0.000 0.000 0.281 568 C C 3.094 178.028 174.990 -0.093 0.000 1.208 568 C CA 1.127 60.024 59.018 -0.202 0.000 1.754 568 C CB -1.442 26.113 27.740 -0.309 0.000 2.044 568 C HN 0.655 nan 8.230 nan 0.000 0.449 569 A N 0.480 123.280 122.820 -0.033 0.000 1.903 569 A HA -0.261 4.058 4.320 -0.000 0.000 0.219 569 A C 2.183 179.797 177.584 0.049 0.000 1.191 569 A CA 2.017 54.094 52.037 0.068 0.000 0.638 569 A CB -0.692 18.471 19.000 0.270 0.000 0.823 569 A HN 0.709 nan 8.150 nan 0.000 0.451 570 R N -0.762 119.763 120.500 0.041 0.000 2.127 570 R HA -0.079 4.261 4.340 -0.000 0.000 0.238 570 R C 2.040 178.362 176.300 0.037 0.000 1.134 570 R CA 1.128 57.248 56.100 0.033 0.000 0.975 570 R CB -0.400 29.918 30.300 0.030 0.000 0.865 570 R HN 0.513 nan 8.270 nan 0.000 0.447 571 A N 0.763 123.603 122.820 0.033 0.000 2.251 571 A HA -0.015 4.305 4.320 -0.000 0.000 0.209 571 A C 0.184 177.777 177.584 0.016 0.000 1.187 571 A CA -0.050 52.011 52.037 0.039 0.000 0.823 571 A CB 0.252 19.284 19.000 0.054 0.000 0.846 571 A HN 0.219 nan 8.150 nan 0.000 0.486 572 Q N -1.997 117.810 119.800 0.012 0.000 2.453 572 Q HA -0.238 4.102 4.340 -0.000 0.000 0.294 572 Q C 0.129 176.124 176.000 -0.008 0.000 1.295 572 Q CA 1.065 56.874 55.803 0.012 0.000 0.853 572 Q CB -2.687 26.069 28.738 0.030 0.000 1.193 572 Q HN 1.084 nan 8.270 nan 0.000 0.461 573 A N -0.382 122.411 122.820 -0.045 0.000 2.386 573 A HA 0.887 5.207 4.320 -0.000 0.000 0.308 573 A C -2.510 174.988 177.584 -0.143 0.000 1.128 573 A CA -1.663 50.327 52.037 -0.078 0.000 0.789 573 A CB 1.465 20.413 19.000 -0.086 0.000 1.325 573 A HN -0.044 nan 8.150 nan 0.000 0.437 574 P HA 0.351 nan 4.420 nan 0.000 0.276 574 P C -2.544 174.446 177.300 -0.516 0.000 1.244 574 P CA -1.247 61.688 63.100 -0.275 0.000 0.801 574 P CB 0.221 31.819 31.700 -0.171 0.000 1.006 575 P HA 0.157 nan 4.420 nan 0.000 0.275 575 P C -2.039 174.625 177.300 -1.059 0.000 1.266 575 P CA -1.550 60.888 63.100 -1.103 0.000 0.793 575 P CB -0.542 30.358 31.700 -1.333 0.000 1.074 576 P HA -0.109 nan 4.420 nan 0.000 0.218 576 P C 0.494 177.495 177.300 -0.499 0.000 1.146 576 P CA 1.729 64.414 63.100 -0.692 0.000 0.813 576 P CB -0.004 31.359 31.700 -0.562 0.000 0.778 577 S N -3.942 111.384 115.700 -0.623 0.000 2.636 577 S HA 0.281 4.750 4.470 -0.000 0.000 0.266 577 S C -1.430 172.959 174.600 -0.352 0.000 1.147 577 S CA -0.922 57.088 58.200 -0.316 0.000 0.815 577 S CB -0.258 62.944 63.200 0.004 0.000 1.119 577 S HN -0.006 nan 8.310 nan 0.000 0.470 578 W N 1.271 122.627 121.300 0.093 0.000 3.151 578 W HA 0.352 5.012 4.660 -0.000 0.000 0.424 578 W C 0.439 177.038 176.519 0.134 0.000 1.012 578 W CA -0.386 57.026 57.345 0.111 0.000 2.018 578 W CB -0.032 29.454 29.460 0.044 0.000 1.087 578 W HN 0.832 nan 8.180 nan 0.000 0.740 579 D N 0.198 120.785 120.400 0.312 0.000 2.378 579 D HA -0.091 4.548 4.640 -0.000 0.000 0.238 579 D C 1.753 178.145 176.300 0.154 0.000 1.180 579 D CA 0.511 54.630 54.000 0.198 0.000 0.895 579 D CB 1.204 42.087 40.800 0.138 0.000 1.192 579 D HN 0.084 nan 8.370 nan 0.000 0.438 580 Q N 2.159 122.002 119.800 0.072 0.000 2.368 580 Q HA -0.210 4.130 4.340 -0.000 0.000 0.210 580 Q C 1.871 177.828 176.000 -0.071 0.000 0.982 580 Q CA 0.767 56.590 55.803 0.033 0.000 0.884 580 Q CB -0.471 28.276 28.738 0.015 0.000 0.933 580 Q HN 0.709 nan 8.270 nan 0.000 0.460 581 M N -0.433 119.041 119.600 -0.210 0.000 2.202 581 M HA -0.167 4.313 4.480 -0.000 0.000 0.262 581 M C 0.370 176.283 176.300 -0.645 0.000 1.063 581 M CA 1.682 56.675 55.300 -0.511 0.000 1.097 581 M CB 0.019 32.153 32.600 -0.777 0.000 1.382 581 M HN 0.212 nan 8.290 nan 0.000 0.413 582 W N 1.264 122.538 121.300 -0.043 0.000 3.151 582 W HA 0.221 4.881 4.660 -0.000 0.000 0.424 582 W C 1.574 178.079 176.519 -0.023 0.000 1.012 582 W CA -0.552 56.728 57.345 -0.108 0.000 2.018 582 W CB -0.154 29.154 29.460 -0.252 0.000 1.087 582 W HN 0.249 nan 8.180 nan 0.000 0.740 583 K N -0.018 120.460 120.400 0.130 0.000 2.209 583 K HA -0.179 4.140 4.320 -0.000 0.000 0.204 583 K C 1.788 178.456 176.600 0.114 0.000 1.048 583 K CA 1.568 57.946 56.287 0.152 0.000 0.940 583 K CB -1.053 31.501 32.500 0.090 0.000 0.729 583 K HN 0.358 nan 8.250 nan 0.000 0.451 584 C N -0.078 119.246 119.300 0.040 0.000 2.443 584 C HA 0.114 4.574 4.460 -0.000 0.000 0.290 584 C C 1.705 176.690 174.990 -0.008 0.000 1.476 584 C CA -0.223 58.792 59.018 -0.005 0.000 1.772 584 C CB -1.040 26.659 27.740 -0.069 0.000 1.714 584 C HN 0.411 nan 8.230 nan 0.000 0.562 585 L N 0.214 121.465 121.223 0.047 0.000 2.693 585 L HA 0.435 4.775 4.340 -0.000 0.000 0.235 585 L C 2.064 179.108 176.870 0.290 0.000 1.127 585 L CA 0.395 55.290 54.840 0.093 0.000 0.914 585 L CB -0.594 41.463 42.059 -0.004 0.000 1.193 585 L HN 0.322 nan 8.230 nan 0.000 0.502 586 I N -0.227 120.493 120.570 0.250 0.000 2.286 586 I HA -0.326 3.843 4.170 -0.000 0.000 0.248 586 I C 2.223 178.348 176.117 0.014 0.000 1.115 586 I CA 0.866 62.235 61.300 0.115 0.000 1.392 586 I CB -0.172 37.865 38.000 0.063 0.000 1.065 586 I HN 0.326 nan 8.210 nan 0.000 0.418 587 R N 1.599 122.137 120.500 0.063 0.000 2.081 587 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 587 R C 1.907 178.231 176.300 0.040 0.000 1.131 587 R CA 1.331 57.458 56.100 0.045 0.000 0.960 587 R CB -1.230 29.115 30.300 0.076 0.000 0.856 587 R HN 0.311 nan 8.270 nan 0.000 0.436 588 L N 1.016 122.291 121.223 0.087 0.000 2.610 588 L HA 0.112 4.452 4.340 -0.000 0.000 0.232 588 L C 2.271 179.168 176.870 0.045 0.000 1.149 588 L CA 0.459 55.347 54.840 0.081 0.000 0.872 588 L CB -0.368 41.768 42.059 0.128 0.000 0.992 588 L HN 0.204 nan 8.230 nan 0.000 0.447 589 K N 1.521 121.915 120.400 -0.009 0.000 2.077 589 K HA -0.199 4.121 4.320 -0.000 0.000 0.213 589 K C -0.519 175.992 176.600 -0.148 0.000 1.051 589 K CA 1.926 58.114 56.287 -0.164 0.000 0.929 589 K CB -0.749 31.397 32.500 -0.590 0.000 0.715 589 K HN 0.218 nan 8.250 nan 0.000 0.451 590 P HA -0.052 nan 4.420 nan 0.000 0.229 590 P C 0.573 177.868 177.300 -0.009 0.000 1.160 590 P CA 1.195 64.274 63.100 -0.035 0.000 0.777 590 P CB 0.208 31.905 31.700 -0.004 0.000 0.814 591 T N -0.277 114.240 114.554 -0.061 0.000 3.067 591 T HA 0.161 4.511 4.350 -0.000 0.000 0.257 591 T C 0.828 175.423 174.700 -0.175 0.000 1.105 591 T CA 0.285 62.370 62.100 -0.025 0.000 1.104 591 T CB -0.208 68.669 68.868 0.016 0.000 0.925 591 T HN 0.013 nan 8.240 nan 0.000 0.498 592 L N 2.314 123.312 121.223 -0.375 0.000 2.295 592 L HA 0.505 4.845 4.340 -0.000 0.000 0.285 592 L C -0.249 176.231 176.870 -0.649 0.000 1.035 592 L CA -0.725 53.928 54.840 -0.312 0.000 0.806 592 L CB 0.913 42.924 42.059 -0.080 0.000 1.214 592 L HN 0.221 nan 8.230 nan 0.000 0.426 593 H N 1.727 120.823 119.070 0.043 0.000 3.037 593 H HA 0.651 5.207 4.556 -0.000 0.000 0.355 593 H C 0.085 175.416 175.328 0.005 0.000 1.263 593 H CA -0.136 55.932 56.048 0.032 0.000 1.129 593 H CB 2.161 31.939 29.762 0.027 0.000 1.861 593 H HN 0.743 nan 8.280 nan 0.000 0.546 594 G N 1.285 110.162 108.800 0.129 0.000 2.582 594 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.222 594 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.222 594 G C -3.007 171.893 174.900 0.001 0.000 1.311 594 G CA -0.857 44.275 45.100 0.052 0.000 0.915 594 G HN 0.515 nan 8.290 nan 0.000 0.528 595 P HA 0.432 nan 4.420 nan 0.000 0.281 595 P C -0.126 177.118 177.300 -0.094 0.000 1.249 595 P CA -0.003 63.064 63.100 -0.056 0.000 0.810 595 P CB 1.031 32.704 31.700 -0.044 0.000 1.008 596 T N 3.789 118.256 114.554 -0.145 0.000 2.832 596 T HA 0.272 4.622 4.350 -0.000 0.000 0.296 596 T C -2.143 172.446 174.700 -0.186 0.000 0.968 596 T CA -0.956 61.015 62.100 -0.214 0.000 1.107 596 T CB -0.186 68.502 68.868 -0.300 0.000 0.916 596 T HN 0.317 nan 8.240 nan 0.000 0.517 597 P HA 0.262 nan 4.420 nan 0.000 0.256 597 P C -0.521 176.623 177.300 -0.260 0.000 1.689 597 P CA -0.691 62.312 63.100 -0.162 0.000 1.124 597 P CB -0.001 31.624 31.700 -0.125 0.000 1.766 598 L N 3.870 124.951 121.223 -0.236 0.000 2.360 598 L HA 0.125 4.464 4.340 -0.000 0.000 0.276 598 L C 0.937 177.605 176.870 -0.337 0.000 1.121 598 L CA 0.317 54.978 54.840 -0.299 0.000 0.845 598 L CB 0.182 42.104 42.059 -0.228 0.000 1.143 598 L HN 0.263 nan 8.230 nan 0.000 0.452 599 L N 5.625 126.514 121.223 -0.557 0.000 2.357 599 L HA 0.189 4.528 4.340 -0.000 0.000 0.211 599 L C -0.609 175.826 176.870 -0.725 0.000 1.075 599 L CA -0.074 54.342 54.840 -0.707 0.000 0.830 599 L CB -0.196 41.197 42.059 -1.109 0.000 0.996 599 L HN 0.714 nan 8.230 nan 0.000 0.467 600 Y N -2.852 117.276 120.300 -0.286 0.000 2.851 600 Y HA 0.472 5.022 4.550 -0.000 0.000 0.359 600 Y C -1.043 174.685 175.900 -0.286 0.000 1.231 600 Y CA -2.333 55.470 58.100 -0.496 0.000 1.106 600 Y CB 0.438 38.262 38.460 -1.060 0.000 1.409 600 Y HN -0.220 nan 8.280 nan 0.000 0.454 601 R N 1.165 121.660 120.500 -0.009 0.000 2.360 601 R HA 0.634 4.974 4.340 -0.000 0.000 0.318 601 R C -0.504 175.849 176.300 0.089 0.000 0.950 601 R CA -0.531 55.602 56.100 0.056 0.000 0.837 601 R CB 1.341 31.653 30.300 0.019 0.000 1.165 601 R HN 0.787 nan 8.270 nan 0.000 0.458 602 L N 1.020 122.332 121.223 0.149 0.000 2.766 602 L HA 0.403 4.743 4.340 -0.000 0.000 0.242 602 L C 0.902 177.817 176.870 0.075 0.000 1.136 602 L CA -0.062 54.819 54.840 0.070 0.000 0.933 602 L CB 0.807 42.900 42.059 0.056 0.000 1.241 602 L HN 0.847 nan 8.230 nan 0.000 0.522 603 G N -0.489 108.384 108.800 0.120 0.000 2.450 603 G HA2 0.519 4.479 3.960 -0.000 0.000 0.273 603 G HA3 0.519 4.479 3.960 -0.000 0.000 0.273 603 G C -1.518 173.443 174.900 0.101 0.000 1.221 603 G CA -0.085 45.074 45.100 0.097 0.000 0.900 603 G HN -0.058 nan 8.290 nan 0.000 0.483 604 A N -0.746 122.129 122.820 0.092 0.000 2.511 604 A HA 0.527 4.847 4.320 -0.000 0.000 0.242 604 A C -0.027 177.596 177.584 0.065 0.000 1.069 604 A CA 0.103 52.181 52.037 0.068 0.000 0.763 604 A CB 0.368 19.405 19.000 0.061 0.000 1.001 604 A HN 1.352 nan 8.150 nan 0.000 0.498 605 V N 4.204 124.130 119.914 0.020 0.000 2.313 605 V HA 0.172 4.292 4.120 -0.000 0.000 0.278 605 V C 0.725 176.797 176.094 -0.037 0.000 1.017 605 V CA -0.228 62.053 62.300 -0.030 0.000 0.823 605 V CB 0.686 32.477 31.823 -0.054 0.000 1.010 605 V HN 1.103 nan 8.190 nan 0.000 0.443 606 Q N 1.989 121.760 119.800 -0.048 0.000 2.259 606 Q HA 0.059 4.399 4.340 -0.000 0.000 0.201 606 Q C 0.915 176.887 176.000 -0.046 0.000 0.938 606 Q CA 0.287 56.073 55.803 -0.028 0.000 0.872 606 Q CB 0.282 29.020 28.738 0.000 0.000 0.971 606 Q HN 0.707 nan 8.270 nan 0.000 0.494 607 N N 1.765 120.407 118.700 -0.096 0.000 2.444 607 N HA -0.040 4.700 4.740 -0.000 0.000 0.255 607 N C -0.455 175.005 175.510 -0.082 0.000 1.255 607 N CA 0.134 53.128 53.050 -0.094 0.000 0.933 607 N CB 0.649 39.038 38.487 -0.165 0.000 1.143 607 N HN -0.024 nan 8.380 nan 0.000 0.453 608 E N -0.154 120.011 120.200 -0.058 0.000 2.422 608 E HA 0.107 4.457 4.350 -0.000 0.000 0.260 608 E C -0.587 175.966 176.600 -0.079 0.000 1.108 608 E CA 0.073 56.441 56.400 -0.053 0.000 0.943 608 E CB 0.772 30.453 29.700 -0.032 0.000 0.961 608 E HN 0.217 nan 8.360 nan 0.000 0.443 609 V N 1.225 121.097 119.914 -0.070 0.000 2.735 609 V HA 0.295 4.415 4.120 -0.000 0.000 0.310 609 V C -0.025 176.031 176.094 -0.063 0.000 1.061 609 V CA -0.620 61.629 62.300 -0.086 0.000 0.913 609 V CB 2.163 33.933 31.823 -0.089 0.000 1.005 609 V HN 0.700 nan 8.190 nan 0.000 0.428 610 T N 4.262 118.776 114.554 -0.066 0.000 2.856 610 T HA 0.598 4.948 4.350 -0.000 0.000 0.283 610 T C 0.148 174.825 174.700 -0.039 0.000 1.008 610 T CA -0.417 61.659 62.100 -0.041 0.000 0.997 610 T CB 1.059 69.912 68.868 -0.026 0.000 0.992 610 T HN 0.498 nan 8.240 nan 0.000 0.454 611 L N 3.923 125.131 121.223 -0.024 0.000 2.741 611 L HA 0.217 4.557 4.340 -0.000 0.000 0.237 611 L C 2.231 179.106 176.870 0.009 0.000 1.178 611 L CA -0.008 54.822 54.840 -0.016 0.000 0.973 611 L CB -0.020 42.027 42.059 -0.019 0.000 1.255 611 L HN 0.828 nan 8.230 nan 0.000 0.498 612 T N -5.138 109.427 114.554 0.018 0.000 3.081 612 T HA -0.036 4.313 4.350 -0.000 0.000 0.255 612 T C 0.983 175.703 174.700 0.032 0.000 1.113 612 T CA -0.054 62.056 62.100 0.016 0.000 1.082 612 T CB -0.205 68.662 68.868 -0.001 0.000 0.939 612 T HN 0.174 nan 8.240 nan 0.000 0.506 613 H N 3.289 122.344 119.070 -0.025 0.000 2.897 613 H HA 0.121 4.676 4.556 -0.000 0.000 0.347 613 H C -1.476 173.859 175.328 0.011 0.000 1.068 613 H CA -1.384 54.656 56.048 -0.014 0.000 1.426 613 H CB 1.701 31.444 29.762 -0.032 0.000 1.410 613 H HN 0.058 nan 8.280 nan 0.000 0.597 614 P HA -0.135 nan 4.420 nan 0.000 0.221 614 P C 1.626 179.067 177.300 0.235 0.000 1.150 614 P CA 0.708 63.859 63.100 0.084 0.000 0.800 614 P CB 0.514 32.206 31.700 -0.013 0.000 0.787 615 I N 0.052 120.872 120.570 0.416 0.000 2.286 615 I HA -0.128 4.041 4.170 -0.000 0.000 0.245 615 I C 2.213 178.461 176.117 0.219 0.000 1.104 615 I CA 1.487 62.965 61.300 0.297 0.000 1.397 615 I CB -2.072 36.075 38.000 0.246 0.000 1.072 615 I HN 0.010 nan 8.210 nan 0.000 0.417 616 T N 1.812 116.454 114.554 0.147 0.000 2.635 616 T HA -0.236 4.113 4.350 -0.000 0.000 0.267 616 T C 1.920 176.668 174.700 0.079 0.000 1.040 616 T CA 1.817 63.951 62.100 0.056 0.000 1.156 616 T CB -0.251 68.628 68.868 0.019 0.000 0.863 616 T HN 0.341 nan 8.240 nan 0.000 0.430 617 K N 0.009 120.469 120.400 0.101 0.000 2.057 617 K HA -0.107 4.212 4.320 -0.000 0.000 0.207 617 K C 2.130 178.781 176.600 0.086 0.000 1.049 617 K CA 1.350 57.681 56.287 0.074 0.000 0.931 617 K CB -0.406 32.134 32.500 0.067 0.000 0.714 617 K HN 0.388 nan 8.250 nan 0.000 0.440 618 Y N 1.822 122.144 120.300 0.036 0.000 2.097 618 Y HA -0.237 4.313 4.550 -0.000 0.000 0.282 618 Y C 1.862 177.774 175.900 0.021 0.000 1.152 618 Y CA 1.533 59.649 58.100 0.026 0.000 1.136 618 Y CB -0.201 38.279 38.460 0.033 0.000 0.975 618 Y HN -0.081 nan 8.280 nan 0.000 0.498 619 I N -0.215 120.402 120.570 0.079 0.000 2.286 619 I HA -0.367 3.802 4.170 -0.000 0.000 0.248 619 I C 2.486 178.583 176.117 -0.033 0.000 1.115 619 I CA 1.562 62.867 61.300 0.008 0.000 1.392 619 I CB -0.405 37.696 38.000 0.168 0.000 1.065 619 I HN 0.336 nan 8.210 nan 0.000 0.418 620 M N 0.236 119.828 119.600 -0.013 0.000 2.149 620 M HA -0.231 4.249 4.480 -0.000 0.000 0.261 620 M C 2.504 178.767 176.300 -0.061 0.000 1.064 620 M CA 2.066 57.358 55.300 -0.013 0.000 1.102 620 M CB -0.473 32.124 32.600 -0.005 0.000 1.369 620 M HN 0.349 nan 8.290 nan 0.000 0.408 621 A N -0.793 121.949 122.820 -0.130 0.000 1.969 621 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 621 A C 2.233 179.703 177.584 -0.191 0.000 1.169 621 A CA 1.346 53.288 52.037 -0.157 0.000 0.635 621 A CB -1.127 17.762 19.000 -0.184 0.000 0.810 621 A HN 0.603 nan 8.150 nan 0.000 0.445 622 C N -0.571 118.564 119.300 -0.274 0.000 2.425 622 C HA -0.130 4.330 4.460 -0.000 0.000 0.277 622 C C 2.725 177.735 174.990 0.034 0.000 1.280 622 C CA 1.239 60.138 59.018 -0.199 0.000 1.744 622 C CB -1.010 26.533 27.740 -0.327 0.000 1.989 622 C HN 0.581 nan 8.230 nan 0.000 0.491 623 M N 0.646 120.283 119.600 0.061 0.000 2.435 623 M HA -0.089 4.391 4.480 -0.000 0.000 0.262 623 M C 1.961 178.180 176.300 -0.135 0.000 1.065 623 M CA 1.152 56.444 55.300 -0.012 0.000 1.076 623 M CB -1.543 31.057 32.600 0.000 0.000 1.403 623 M HN 0.288 nan 8.290 nan 0.000 0.454 624 S N 0.263 115.904 115.700 -0.099 0.000 2.562 624 S HA 0.263 4.733 4.470 -0.000 0.000 0.221 624 S C 0.987 175.513 174.600 -0.123 0.000 0.975 624 S CA 0.008 58.143 58.200 -0.109 0.000 0.918 624 S CB -0.199 62.953 63.200 -0.080 0.000 0.772 624 S HN 0.509 nan 8.310 nan 0.000 0.531 625 A N 1.730 124.473 122.820 -0.128 0.000 2.425 625 A HA 0.256 4.576 4.320 -0.000 0.000 0.242 625 A C -0.256 177.213 177.584 -0.193 0.000 1.077 625 A CA -0.516 51.447 52.037 -0.124 0.000 0.781 625 A CB 0.024 18.982 19.000 -0.071 0.000 1.020 625 A HN 0.218 nan 8.150 nan 0.000 0.494 626 D N 0.284 120.598 120.400 -0.143 0.000 2.583 626 D HA 0.283 4.923 4.640 -0.000 0.000 0.232 626 D C -0.518 175.637 176.300 -0.243 0.000 1.128 626 D CA 1.291 55.201 54.000 -0.150 0.000 0.859 626 D CB 0.085 40.836 40.800 -0.082 0.000 1.169 626 D HN 0.355 nan 8.370 nan 0.000 0.481 627 L N 2.298 123.339 121.223 -0.304 0.000 2.404 627 L HA 0.243 4.583 4.340 -0.000 0.000 0.272 627 L C 0.227 176.988 176.870 -0.181 0.000 0.980 627 L CA -0.679 53.896 54.840 -0.443 0.000 0.836 627 L CB 1.770 43.283 42.059 -0.909 0.000 1.238 627 L HN 0.337 nan 8.230 nan 0.000 0.408 628 E N 3.835 124.039 120.200 0.006 0.000 2.180 628 E HA 0.368 4.718 4.350 -0.000 0.000 0.283 628 E C -0.974 175.729 176.600 0.171 0.000 1.061 628 E CA -0.466 55.983 56.400 0.080 0.000 0.861 628 E CB 1.081 30.823 29.700 0.069 0.000 1.056 628 E HN 0.403 nan 8.360 nan 0.000 0.407 629 V N 2.042 122.004 119.914 0.081 0.000 2.769 629 V HA 0.561 4.681 4.120 -0.000 0.000 0.312 629 V C 0.199 176.267 176.094 -0.044 0.000 1.061 629 V CA -1.085 61.257 62.300 0.069 0.000 0.931 629 V CB 1.221 33.109 31.823 0.108 0.000 1.010 629 V HN 0.438 nan 8.190 nan 0.000 0.433 630 V N 1.518 121.342 119.914 -0.150 0.000 2.732 630 V HA 0.815 4.934 4.120 -0.000 0.000 0.297 630 V C 0.472 176.438 176.094 -0.214 0.000 1.060 630 V CA 0.646 62.741 62.300 -0.342 0.000 1.038 630 V CB 0.674 32.026 31.823 -0.785 0.000 1.003 630 V HN 1.320 nan 8.190 nan 0.000 0.481 631 T N 0.000 114.436 114.554 -0.196 0.000 3.816 631 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 631 T CA 0.000 62.085 62.100 -0.025 0.000 1.349 631 T CB 0.000 68.902 68.868 0.056 0.000 0.612 631 T HN 0.000 nan 8.240 nan 0.000 0.658