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 3hs0_1_D DATA FIRST_RESID 11 DATA SEQUENCE ScSLEGVEIK GGSFRLLQEG QALEYVcPSG FYPYPVQTRT cRSTGSWSTL DATA SEQUENCE KTQDQKTVRK AEcRAIHcPR PHDFENGEYW PRSPYYNVSD EISFHcYDGY DATA SEQUENCE TLRGSANRTc QVNGRWSGQT AIcDNGAGYc SNPGIPIGTR KVGSQYRLED DATA SEQUENCE SVTYHcSRGL TLRGSQRRTc QEGGSWSGTE PScQDSFMYD TPQEVAEAFL DATA SEQUENCE SSLTETXXXX XXXXXXXXXX XXKRKIVLDP SGSMNIYLVL DGSGSIGASD DATA SEQUENCE FTGAKKCLVN LIEKVASYGV KPRYGLVTYA TYPKIWVKVS EADSSNADWV DATA SEQUENCE TKQLNEINYE DHKLKSGTNT KKALQAVYSM MSWPDDVPPE GWNRTRHVII DATA SEQUENCE LMTDGLHNMG GDPITVIDEI RDLLYIGKDR KNPREDYLDV YVFGVGPLVN DATA SEQUENCE QVNINALASK KDNEQHVFKV KDMENLEDVF YQMIDESQSL SLcGMVWEHX DATA SEQUENCE XGTDYHKQPW QAKISVIRPX XXXXScMGAV VSEYFVLTAA HcFTVDXXXH DATA SEQUENCE SIKVSVGGEK RDLEIEVVLF HPNYNINGKK EAGIPEFYDY DVALIKLKNK DATA SEQUENCE LKYGQTIRPI cLPcTEGTTR ALRLPPTTTc QQQKEELLPA QDIKALFVSE DATA SEQUENCE EEKKLTRKEV YIKNGDKKGS cERDAQYAPG YDKVKDISEV VTPRFLcTGG DATA SEQUENCE VSPYADPNTc RGDSGGPLIV HKRSRFIQVG VISWGVVDVc KXXXXXKQVP DATA SEQUENCE AHARDFHINL FQVLPWLKEK LQDEDLGFLA 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 11 S HA 0.000 nan 4.470 nan 0.000 0.327 11 S C 0.000 174.572 174.600 -0.047 0.000 1.055 11 S CA 0.000 58.197 58.200 -0.005 0.000 1.107 11 S CB 0.000 63.224 63.200 0.039 0.000 0.593 12 c N 2.249 120.821 118.600 -0.047 0.000 2.401 12 c HA 0.848 5.417 4.570 -0.000 0.000 0.356 12 c C 0.826 174.951 174.090 0.059 0.000 1.192 12 c CA -0.298 55.936 56.329 -0.158 0.000 2.028 12 c CB 1.327 43.455 42.510 -0.637 0.000 2.344 12 c HN 0.950 nan 8.230 nan 0.000 0.525 13 S N 1.828 117.551 115.700 0.038 0.000 2.423 13 S HA 0.310 4.780 4.470 -0.000 0.000 0.302 13 S C -0.411 174.438 174.600 0.416 0.000 1.143 13 S CA -0.345 57.953 58.200 0.164 0.000 1.080 13 S CB -0.615 62.636 63.200 0.083 0.000 1.081 13 S HN 0.532 nan 8.310 nan 0.000 0.522 14 L N 2.761 124.206 121.223 0.370 0.000 2.416 14 L HA 0.328 4.667 4.340 -0.000 0.000 0.243 14 L C 0.332 177.266 176.870 0.107 0.000 1.373 14 L CA 0.161 55.169 54.840 0.280 0.000 1.227 14 L CB -1.056 41.114 42.059 0.186 0.000 1.428 14 L HN 0.607 nan 8.230 nan 0.000 0.425 15 E N 0.184 120.456 120.200 0.121 0.000 2.288 15 E HA 0.580 4.930 4.350 -0.000 0.000 0.268 15 E C 0.589 177.195 176.600 0.010 0.000 0.885 15 E CA -0.472 55.961 56.400 0.055 0.000 0.767 15 E CB 1.984 31.732 29.700 0.080 0.000 1.220 15 E HN 0.330 nan 8.360 nan 0.000 0.427 16 G N 0.922 109.710 108.800 -0.020 0.000 2.221 16 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.265 16 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.265 16 G C 0.673 175.507 174.900 -0.109 0.000 1.041 16 G CA 0.672 45.750 45.100 -0.038 0.000 0.807 16 G HN 0.628 nan 8.290 nan 0.000 0.502 17 V N -2.468 117.321 119.914 -0.208 0.000 3.621 17 V HA 0.359 4.479 4.120 -0.000 0.000 0.263 17 V C 1.190 177.082 176.094 -0.336 0.000 1.272 17 V CA 0.836 62.896 62.300 -0.399 0.000 1.080 17 V CB 0.337 31.684 31.823 -0.793 0.000 0.816 17 V HN 0.607 nan 8.190 nan 0.000 0.451 18 E N 3.434 123.537 120.200 -0.161 0.000 2.465 18 E HA 0.066 4.416 4.350 -0.000 0.000 0.260 18 E C -0.010 176.562 176.600 -0.045 0.000 0.980 18 E CA -0.101 56.304 56.400 0.008 0.000 0.927 18 E CB 0.838 30.578 29.700 0.068 0.000 0.934 18 E HN 0.777 nan 8.360 nan 0.000 0.459 19 I N -0.022 120.536 120.570 -0.020 0.000 2.297 19 I HA 0.254 4.424 4.170 -0.000 0.000 0.291 19 I C 0.495 176.541 176.117 -0.118 0.000 1.033 19 I CA -1.042 60.155 61.300 -0.172 0.000 1.253 19 I CB 0.699 38.501 38.000 -0.329 0.000 1.396 19 I HN 0.335 nan 8.210 nan 0.000 0.476 20 K N 6.079 126.397 120.400 -0.138 0.000 2.253 20 K HA 0.198 4.518 4.320 -0.000 0.000 0.273 20 K C 0.998 177.512 176.600 -0.143 0.000 1.118 20 K CA 1.044 57.255 56.287 -0.125 0.000 1.100 20 K CB -0.359 32.062 32.500 -0.131 0.000 0.932 20 K HN 1.129 nan 8.250 nan 0.000 0.433 21 G N 2.065 110.792 108.800 -0.121 0.000 2.175 21 G HA2 -0.124 3.835 3.960 -0.000 0.000 0.182 21 G HA3 -0.124 3.835 3.960 -0.000 0.000 0.182 21 G C 0.141 175.031 174.900 -0.017 0.000 1.003 21 G CA -0.422 44.604 45.100 -0.123 0.000 0.666 21 G HN 0.977 nan 8.290 nan 0.000 0.506 22 G N -0.916 107.880 108.800 -0.007 0.000 2.871 22 G HA2 0.987 4.947 3.960 -0.000 0.000 0.282 22 G HA3 0.987 4.947 3.960 -0.000 0.000 0.282 22 G C -0.363 174.583 174.900 0.077 0.000 1.212 22 G CA 0.758 45.914 45.100 0.093 0.000 0.812 22 G HN 1.783 nan 8.290 nan 0.000 0.547 23 S N -1.488 114.291 115.700 0.132 0.000 2.643 23 S HA 0.837 5.307 4.470 -0.000 0.000 0.270 23 S C -1.157 173.595 174.600 0.252 0.000 1.166 23 S CA -0.719 57.552 58.200 0.118 0.000 0.815 23 S CB 1.703 64.880 63.200 -0.038 0.000 1.139 23 S HN 1.794 nan 8.310 nan 0.000 0.472 24 F N -1.215 118.777 119.950 0.070 0.000 2.692 24 F HA 0.931 5.457 4.527 -0.000 0.000 0.320 24 F C -0.753 175.036 175.800 -0.018 0.000 1.123 24 F CA -1.248 56.782 58.000 0.049 0.000 0.961 24 F CB 1.281 40.295 39.000 0.023 0.000 1.383 24 F HN 0.757 nan 8.300 nan 0.000 0.483 25 R N 1.043 121.613 120.500 0.117 0.000 2.668 25 R HA 0.599 4.939 4.340 -0.000 0.000 0.272 25 R C -1.658 174.689 176.300 0.078 0.000 1.019 25 R CA -0.952 55.155 56.100 0.011 0.000 0.894 25 R CB 2.710 32.996 30.300 -0.023 0.000 1.228 25 R HN 0.666 nan 8.270 nan 0.000 0.460 26 L N 3.023 124.282 121.223 0.061 0.000 2.399 26 L HA 0.590 4.930 4.340 -0.000 0.000 0.266 26 L C -0.510 176.383 176.870 0.039 0.000 1.114 26 L CA -0.436 54.444 54.840 0.066 0.000 0.804 26 L CB 0.835 42.946 42.059 0.087 0.000 1.146 26 L HN 0.432 nan 8.230 nan 0.000 0.451 27 L N 1.235 122.485 121.223 0.046 0.000 2.720 27 L HA 0.253 4.593 4.340 -0.000 0.000 0.261 27 L C -0.128 176.769 176.870 0.045 0.000 1.046 27 L CA -0.515 54.346 54.840 0.034 0.000 0.886 27 L CB 1.894 43.964 42.059 0.018 0.000 1.493 27 L HN 0.592 nan 8.230 nan 0.000 0.407 28 Q N 0.387 120.207 119.800 0.033 0.000 2.439 28 Q HA -0.256 4.084 4.340 -0.000 0.000 0.247 28 Q C -0.585 175.439 176.000 0.040 0.000 0.899 28 Q CA 1.364 57.188 55.803 0.034 0.000 1.201 28 Q CB -0.914 27.846 28.738 0.037 0.000 1.608 28 Q HN 0.697 nan 8.270 nan 0.000 0.563 29 E N -2.954 117.272 120.200 0.044 0.000 2.497 29 E HA -0.182 4.168 4.350 -0.000 0.000 0.273 29 E C 0.375 177.012 176.600 0.061 0.000 1.045 29 E CA 0.503 56.929 56.400 0.045 0.000 0.797 29 E CB -1.781 27.938 29.700 0.031 0.000 1.352 29 E HN 0.842 nan 8.360 nan 0.000 0.399 30 G N 0.120 108.977 108.800 0.096 0.000 2.149 30 G HA2 -0.315 3.644 3.960 -0.000 0.000 0.235 30 G HA3 -0.315 3.644 3.960 -0.000 0.000 0.235 30 G C 0.421 175.416 174.900 0.157 0.000 1.018 30 G CA 0.378 45.567 45.100 0.149 0.000 0.728 30 G HN 0.225 nan 8.290 nan 0.000 0.508 31 Q N -1.316 118.569 119.800 0.142 0.000 2.164 31 Q HA 0.610 4.949 4.340 -0.000 0.000 0.226 31 Q C 0.673 176.781 176.000 0.180 0.000 0.813 31 Q CA 0.915 56.783 55.803 0.109 0.000 0.978 31 Q CB 1.523 30.289 28.738 0.047 0.000 1.149 31 Q HN 1.647 nan 8.270 nan 0.000 0.489 32 A N 1.081 124.027 122.820 0.209 0.000 2.534 32 A HA 0.489 4.809 4.320 -0.000 0.000 0.300 32 A C -1.285 176.328 177.584 0.049 0.000 1.054 32 A CA -0.864 51.262 52.037 0.149 0.000 0.858 32 A CB 0.251 19.300 19.000 0.083 0.000 1.333 32 A HN 0.127 nan 8.150 nan 0.000 0.391 33 L N -0.477 120.698 121.223 -0.079 0.000 2.358 33 L HA 0.968 5.307 4.340 -0.000 0.000 0.268 33 L C 0.069 176.822 176.870 -0.194 0.000 1.032 33 L CA -0.685 54.061 54.840 -0.157 0.000 0.805 33 L CB 0.858 42.725 42.059 -0.321 0.000 1.253 33 L HN 0.702 nan 8.230 nan 0.000 0.452 34 E N 0.096 120.225 120.200 -0.118 0.000 2.187 34 E HA 0.380 4.730 4.350 -0.000 0.000 0.268 34 E C -1.653 174.938 176.600 -0.016 0.000 0.896 34 E CA -0.754 55.600 56.400 -0.078 0.000 0.766 34 E CB 1.052 30.750 29.700 -0.004 0.000 1.142 34 E HN 0.585 nan 8.360 nan 0.000 0.408 35 Y N 3.028 123.363 120.300 0.059 0.000 2.556 35 Y HA 0.201 4.751 4.550 -0.000 0.000 0.352 35 Y C -0.206 175.740 175.900 0.077 0.000 1.006 35 Y CA -0.557 57.587 58.100 0.073 0.000 1.277 35 Y CB 0.785 39.266 38.460 0.036 0.000 1.136 35 Y HN 0.234 nan 8.280 nan 0.000 0.523 36 V N 4.460 124.527 119.914 0.255 0.000 2.406 36 V HA 0.226 4.346 4.120 -0.000 0.000 0.272 36 V C 0.160 176.343 176.094 0.148 0.000 1.043 36 V CA -0.475 61.923 62.300 0.164 0.000 0.915 36 V CB 0.461 32.356 31.823 0.119 0.000 0.988 36 V HN 0.816 nan 8.190 nan 0.000 0.466 37 c N 6.547 125.218 118.600 0.119 0.000 2.562 37 c HA 0.633 5.203 4.570 -0.000 0.000 0.332 37 c C -2.153 171.966 174.090 0.049 0.000 1.201 37 c CA -1.181 55.192 56.329 0.073 0.000 1.803 37 c CB 1.759 44.315 42.510 0.077 0.000 2.328 37 c HN 0.683 nan 8.230 nan 0.000 0.500 38 P HA 0.166 nan 4.420 nan 0.000 0.270 38 P C -0.483 176.870 177.300 0.089 0.000 1.223 38 P CA 0.028 63.066 63.100 -0.105 0.000 0.785 38 P CB 0.289 31.691 31.700 -0.497 0.000 0.923 39 S N 0.284 116.021 115.700 0.062 0.000 2.563 39 S HA 0.326 4.795 4.470 -0.000 0.000 0.284 39 S C 1.267 175.878 174.600 0.018 0.000 1.331 39 S CA 0.206 58.432 58.200 0.042 0.000 1.047 39 S CB -0.518 62.688 63.200 0.010 0.000 0.859 39 S HN 1.047 nan 8.310 nan 0.000 0.514 40 G N 0.527 109.274 108.800 -0.088 0.000 2.148 40 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.254 40 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.254 40 G C -0.253 174.262 174.900 -0.642 0.000 0.981 40 G CA 0.348 45.251 45.100 -0.329 0.000 0.670 40 G HN 0.715 nan 8.290 nan 0.000 0.528 41 F N -0.908 119.010 119.950 -0.053 0.000 2.626 41 F HA 0.721 5.248 4.527 -0.000 0.000 0.311 41 F C -0.226 175.587 175.800 0.023 0.000 1.088 41 F CA -1.371 56.607 58.000 -0.037 0.000 0.949 41 F CB 1.735 40.684 39.000 -0.084 0.000 1.322 41 F HN 0.317 nan 8.300 nan 0.000 0.461 42 Y N -0.107 120.155 120.300 -0.063 0.000 2.470 42 Y HA 0.798 5.348 4.550 -0.000 0.000 0.341 42 Y C -3.448 172.360 175.900 -0.152 0.000 1.021 42 Y CA -3.876 54.113 58.100 -0.185 0.000 1.025 42 Y CB 1.051 39.171 38.460 -0.567 0.000 1.266 42 Y HN 0.214 nan 8.280 nan 0.000 0.448 43 P HA 0.078 nan 4.420 nan 0.000 0.269 43 P C 0.047 177.119 177.300 -0.380 0.000 1.209 43 P CA 0.310 63.252 63.100 -0.264 0.000 0.776 43 P CB 0.877 32.548 31.700 -0.049 0.000 0.876 44 Y N 4.017 124.077 120.300 -0.401 0.000 2.633 44 Y HA 0.001 4.551 4.550 -0.000 0.000 0.227 44 Y C -1.168 174.642 175.900 -0.151 0.000 0.970 44 Y CA 1.285 59.175 58.100 -0.350 0.000 0.984 44 Y CB -1.517 36.760 38.460 -0.306 0.000 1.046 44 Y HN 0.379 nan 8.280 nan 0.000 0.484 45 P HA 0.110 nan 4.420 nan 0.000 0.276 45 P C -1.222 176.114 177.300 0.059 0.000 1.252 45 P CA -0.271 62.838 63.100 0.016 0.000 0.802 45 P CB 0.612 32.369 31.700 0.095 0.000 1.035 46 V N 1.266 121.231 119.914 0.085 0.000 3.126 46 V HA -0.247 3.873 4.120 -0.000 0.000 0.257 46 V C 1.683 177.895 176.094 0.197 0.000 1.747 46 V CA 0.934 63.311 62.300 0.129 0.000 1.631 46 V CB -0.806 31.084 31.823 0.112 0.000 0.852 46 V HN 0.629 nan 8.190 nan 0.000 0.469 47 Q N 2.235 122.170 119.800 0.224 0.000 2.234 47 Q HA -0.082 4.257 4.340 -0.000 0.000 0.206 47 Q C 1.329 177.475 176.000 0.243 0.000 0.980 47 Q CA 1.740 57.732 55.803 0.314 0.000 0.869 47 Q CB -0.107 28.795 28.738 0.273 0.000 0.912 47 Q HN 1.080 nan 8.270 nan 0.000 0.436 48 T N -1.619 112.987 114.554 0.086 0.000 3.418 48 T HA 0.395 4.745 4.350 -0.000 0.000 0.315 48 T C -0.642 174.020 174.700 -0.063 0.000 1.447 48 T CA -0.908 61.149 62.100 -0.072 0.000 1.641 48 T CB 0.246 69.105 68.868 -0.015 0.000 0.904 48 T HN -0.008 nan 8.240 nan 0.000 0.640 49 R N 1.795 122.218 120.500 -0.129 0.000 2.678 49 R HA 0.352 4.692 4.340 -0.000 0.000 0.264 49 R C 1.217 177.572 176.300 0.090 0.000 0.995 49 R CA 0.485 56.577 56.100 -0.012 0.000 1.098 49 R CB 0.305 30.572 30.300 -0.055 0.000 0.949 49 R HN 0.777 nan 8.270 nan 0.000 0.422 50 T N -1.616 113.055 114.554 0.195 0.000 2.889 50 T HA 0.427 4.777 4.350 -0.000 0.000 0.278 50 T C -0.210 174.663 174.700 0.288 0.000 0.995 50 T CA -0.884 61.351 62.100 0.226 0.000 0.966 50 T CB 1.576 70.511 68.868 0.112 0.000 1.237 50 T HN 0.623 nan 8.240 nan 0.000 0.591 51 c N 1.019 119.666 118.600 0.078 0.000 2.507 51 c HA 0.834 5.403 4.570 -0.000 0.000 0.319 51 c C -0.059 173.938 174.090 -0.154 0.000 1.208 51 c CA -0.683 55.528 56.329 -0.197 0.000 1.619 51 c CB 0.615 42.944 42.510 -0.300 0.000 2.230 51 c HN 0.933 nan 8.230 nan 0.000 0.492 52 R N 2.399 122.766 120.500 -0.222 0.000 2.893 52 R HA 0.446 4.786 4.340 -0.000 0.000 0.245 52 R C 0.682 176.886 176.300 -0.160 0.000 1.192 52 R CA -0.355 55.659 56.100 -0.144 0.000 1.077 52 R CB 0.572 30.803 30.300 -0.114 0.000 1.253 52 R HN 0.810 nan 8.270 nan 0.000 0.505 53 S N -1.652 113.982 115.700 -0.110 0.000 2.614 53 S HA -0.037 4.433 4.470 -0.000 0.000 0.230 53 S C 1.195 175.737 174.600 -0.097 0.000 0.952 53 S CA 0.214 58.355 58.200 -0.099 0.000 0.949 53 S CB -0.338 62.823 63.200 -0.065 0.000 0.786 53 S HN 0.740 nan 8.310 nan 0.000 0.478 54 T N -3.005 111.480 114.554 -0.115 0.000 3.037 54 T HA 0.504 4.854 4.350 -0.000 0.000 0.252 54 T C 1.726 176.348 174.700 -0.130 0.000 1.073 54 T CA 0.868 62.908 62.100 -0.101 0.000 1.091 54 T CB -0.163 68.655 68.868 -0.084 0.000 0.935 54 T HN 0.965 nan 8.240 nan 0.000 0.488 55 G N 1.389 110.067 108.800 -0.204 0.000 2.284 55 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.216 55 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.216 55 G C 0.591 175.258 174.900 -0.388 0.000 1.009 55 G CA 0.324 45.269 45.100 -0.259 0.000 0.625 55 G HN 1.203 nan 8.290 nan 0.000 0.501 56 S N -0.773 114.754 115.700 -0.288 0.000 2.625 56 S HA 0.497 4.966 4.470 -0.000 0.000 0.258 56 S C -0.061 174.284 174.600 -0.425 0.000 1.256 56 S CA 0.409 58.462 58.200 -0.245 0.000 0.983 56 S CB 0.673 63.828 63.200 -0.074 0.000 1.032 56 S HN 0.634 nan 8.310 nan 0.000 0.572 57 W N 1.738 123.025 121.300 -0.022 0.000 1.817 57 W HA 0.454 5.114 4.660 -0.000 0.000 0.289 57 W C 0.852 177.361 176.519 -0.017 0.000 0.841 57 W CA 0.239 57.568 57.345 -0.028 0.000 2.216 57 W CB -0.483 28.950 29.460 -0.045 0.000 2.396 57 W HN 1.229 nan 8.180 nan 0.000 0.421 58 S N -0.521 115.256 115.700 0.127 0.000 2.813 58 S HA -0.258 4.212 4.470 -0.000 0.000 0.631 58 S C 0.168 174.826 174.600 0.097 0.000 3.178 58 S CA 0.955 59.211 58.200 0.094 0.000 3.497 58 S CB -1.347 61.915 63.200 0.103 0.000 0.324 58 S HN 0.562 nan 8.310 nan 0.000 1.724 59 T N -1.298 113.303 114.554 0.078 0.000 2.893 59 T HA 0.683 5.033 4.350 -0.000 0.000 0.291 59 T C -0.054 174.688 174.700 0.069 0.000 1.028 59 T CA -1.105 61.035 62.100 0.067 0.000 0.995 59 T CB 1.146 70.043 68.868 0.047 0.000 1.051 59 T HN 0.786 nan 8.240 nan 0.000 0.470 60 L N 2.841 124.102 121.223 0.063 0.000 2.462 60 L HA 0.360 4.699 4.340 -0.000 0.000 0.272 60 L C 0.416 177.323 176.870 0.061 0.000 1.166 60 L CA -0.023 54.856 54.840 0.065 0.000 0.880 60 L CB 0.212 42.303 42.059 0.053 0.000 1.142 60 L HN 0.501 nan 8.230 nan 0.000 0.473 61 K N 2.169 122.611 120.400 0.069 0.000 2.640 61 K HA 0.203 4.523 4.320 -0.000 0.000 0.245 61 K C 0.405 177.049 176.600 0.073 0.000 0.962 61 K CA -0.341 55.984 56.287 0.063 0.000 0.896 61 K CB 1.716 34.248 32.500 0.054 0.000 1.147 61 K HN 0.584 nan 8.250 nan 0.000 0.445 62 T N -0.522 114.081 114.554 0.083 0.000 3.496 62 T HA -0.102 4.247 4.350 -0.000 0.000 0.253 62 T C 0.961 175.706 174.700 0.075 0.000 1.134 62 T CA 0.377 62.535 62.100 0.097 0.000 0.993 62 T CB -0.569 68.378 68.868 0.131 0.000 1.018 62 T HN 0.757 nan 8.240 nan 0.000 0.571 63 Q N -0.942 118.894 119.800 0.061 0.000 2.324 63 Q HA -0.272 4.068 4.340 -0.000 0.000 0.200 63 Q C 0.253 176.279 176.000 0.043 0.000 0.645 63 Q CA 1.752 57.584 55.803 0.049 0.000 1.377 63 Q CB -2.356 26.410 28.738 0.046 0.000 1.486 63 Q HN 0.446 nan 8.270 nan 0.000 0.796 64 D N 0.913 121.341 120.400 0.048 0.000 2.349 64 D HA -0.022 4.618 4.640 -0.000 0.000 0.224 64 D C 0.195 176.516 176.300 0.036 0.000 1.029 64 D CA 1.102 55.126 54.000 0.040 0.000 0.879 64 D CB 0.017 40.842 40.800 0.043 0.000 0.906 64 D HN 0.507 nan 8.370 nan 0.000 0.528 65 Q N -0.311 119.513 119.800 0.040 0.000 2.461 65 Q HA -0.223 4.117 4.340 -0.000 0.000 0.264 65 Q C -0.287 175.734 176.000 0.035 0.000 1.085 65 Q CA 0.811 56.637 55.803 0.037 0.000 1.006 65 Q CB -1.663 27.094 28.738 0.031 0.000 1.437 65 Q HN 0.397 nan 8.270 nan 0.000 0.514 66 K N 1.162 121.584 120.400 0.037 0.000 2.270 66 K HA 0.214 4.534 4.320 -0.000 0.000 0.276 66 K C 0.272 176.893 176.600 0.035 0.000 1.023 66 K CA 0.012 56.319 56.287 0.033 0.000 0.955 66 K CB 0.614 33.134 32.500 0.033 0.000 0.975 66 K HN -0.033 nan 8.250 nan 0.000 0.471 67 T N 2.588 117.159 114.554 0.029 0.000 2.799 67 T HA 0.116 4.466 4.350 -0.000 0.000 0.296 67 T C 0.236 174.951 174.700 0.025 0.000 0.947 67 T CA -0.504 61.614 62.100 0.029 0.000 1.141 67 T CB 0.303 69.185 68.868 0.023 0.000 0.891 67 T HN 0.168 nan 8.240 nan 0.000 0.533 68 V N 4.538 124.469 119.914 0.029 0.000 2.837 68 V HA 0.391 4.511 4.120 -0.000 0.000 0.310 68 V C 1.150 177.245 176.094 0.002 0.000 1.059 68 V CA -0.869 61.442 62.300 0.018 0.000 1.004 68 V CB 1.689 33.534 31.823 0.036 0.000 1.045 68 V HN 0.813 nan 8.190 nan 0.000 0.465 69 R N 0.823 121.310 120.500 -0.022 0.000 2.397 69 R HA 0.363 4.703 4.340 -0.000 0.000 0.241 69 R C -0.181 176.090 176.300 -0.049 0.000 0.914 69 R CA -0.138 55.944 56.100 -0.030 0.000 1.071 69 R CB 0.425 30.705 30.300 -0.033 0.000 1.116 69 R HN 0.522 nan 8.270 nan 0.000 0.524 70 K N 0.124 120.483 120.400 -0.068 0.000 2.622 70 K HA 0.420 4.739 4.320 -0.000 0.000 0.273 70 K C -2.000 174.528 176.600 -0.121 0.000 0.957 70 K CA -0.301 55.930 56.287 -0.094 0.000 0.861 70 K CB 1.701 34.132 32.500 -0.116 0.000 1.405 70 K HN 0.020 nan 8.250 nan 0.000 0.406 71 A N 2.787 125.530 122.820 -0.130 0.000 2.292 71 A HA 0.747 5.067 4.320 -0.000 0.000 0.319 71 A C -0.986 176.457 177.584 -0.234 0.000 1.206 71 A CA -0.177 51.754 52.037 -0.176 0.000 0.835 71 A CB 0.394 19.255 19.000 -0.232 0.000 1.164 71 A HN 0.732 nan 8.150 nan 0.000 0.505 72 E N 0.074 120.134 120.200 -0.233 0.000 2.430 72 E HA 0.443 4.793 4.350 -0.000 0.000 0.279 72 E C -1.555 174.927 176.600 -0.197 0.000 1.003 72 E CA -0.867 55.393 56.400 -0.233 0.000 0.801 72 E CB 1.219 30.766 29.700 -0.255 0.000 1.313 72 E HN 0.362 nan 8.360 nan 0.000 0.459 73 c N 2.108 120.587 118.600 -0.202 0.000 2.135 73 c HA 0.394 4.963 4.570 -0.000 0.000 0.345 73 c C 0.428 174.477 174.090 -0.068 0.000 1.067 73 c CA -0.387 55.836 56.329 -0.177 0.000 1.517 73 c CB -1.555 40.821 42.510 -0.223 0.000 1.923 73 c HN 0.453 nan 8.230 nan 0.000 0.466 74 R N 1.573 122.046 120.500 -0.044 0.000 2.577 74 R HA 0.587 4.927 4.340 -0.000 0.000 0.269 74 R C 0.461 176.963 176.300 0.336 0.000 1.084 74 R CA -0.283 55.892 56.100 0.125 0.000 1.163 74 R CB 0.779 31.155 30.300 0.126 0.000 1.100 74 R HN 0.752 nan 8.270 nan 0.000 0.547 75 A N 2.401 125.321 122.820 0.168 0.000 2.445 75 A HA 0.189 4.508 4.320 -0.000 0.000 0.242 75 A C 0.305 177.577 177.584 -0.520 0.000 1.075 75 A CA -0.190 51.650 52.037 -0.328 0.000 0.777 75 A CB 0.122 18.946 19.000 -0.292 0.000 1.013 75 A HN 0.608 nan 8.150 nan 0.000 0.493 76 I N 1.651 121.882 120.570 -0.565 0.000 2.474 76 I HA 0.176 4.346 4.170 -0.000 0.000 0.287 76 I C 0.003 175.836 176.117 -0.473 0.000 1.048 76 I CA 0.196 61.170 61.300 -0.544 0.000 1.383 76 I CB 0.520 38.310 38.000 -0.351 0.000 1.412 76 I HN 0.718 nan 8.210 nan 0.000 0.531 77 H N 3.818 122.770 119.070 -0.197 0.000 2.538 77 H HA 0.341 4.897 4.556 -0.000 0.000 0.353 77 H C -0.754 174.512 175.328 -0.103 0.000 1.109 77 H CA -0.897 55.079 56.048 -0.120 0.000 1.192 77 H CB 1.574 31.253 29.762 -0.138 0.000 1.555 77 H HN 0.542 nan 8.280 nan 0.000 0.518 78 c N 4.429 123.011 118.600 -0.030 0.000 2.536 78 c HA 0.210 4.780 4.570 -0.000 0.000 0.396 78 c C -1.969 172.207 174.090 0.143 0.000 1.279 78 c CA -1.332 54.843 56.329 -0.257 0.000 2.148 78 c CB 0.061 41.891 42.510 -1.133 0.000 2.584 78 c HN 0.611 nan 8.230 nan 0.000 0.579 79 P HA 0.167 nan 4.420 nan 0.000 0.271 79 P C -0.312 177.219 177.300 0.386 0.000 1.216 79 P CA -0.137 63.141 63.100 0.296 0.000 0.771 79 P CB 0.406 32.239 31.700 0.221 0.000 0.864 80 R N 4.768 125.435 120.500 0.278 0.000 2.543 80 R HA 0.229 4.568 4.340 -0.000 0.000 0.277 80 R C -2.261 173.961 176.300 -0.129 0.000 1.074 80 R CA -1.531 54.686 56.100 0.195 0.000 1.076 80 R CB -0.289 30.122 30.300 0.185 0.000 0.993 80 R HN 0.322 nan 8.270 nan 0.000 0.459 81 P HA 0.028 nan 4.420 nan 0.000 0.271 81 P C -0.388 176.830 177.300 -0.137 0.000 1.220 81 P CA -0.000 62.929 63.100 -0.285 0.000 0.768 81 P CB 0.552 31.854 31.700 -0.664 0.000 0.848 82 H N 0.694 119.799 119.070 0.058 0.000 2.544 82 H HA 0.126 4.681 4.556 -0.000 0.000 0.269 82 H C 0.121 175.524 175.328 0.124 0.000 0.970 82 H CA 1.038 57.145 56.048 0.097 0.000 1.219 82 H CB 0.616 30.421 29.762 0.071 0.000 1.421 82 H HN 0.445 nan 8.280 nan 0.000 0.555 83 D N -1.214 119.328 120.400 0.237 0.000 2.720 83 D HA 0.134 4.774 4.640 -0.000 0.000 0.239 83 D C -1.960 174.513 176.300 0.288 0.000 1.218 83 D CA -0.588 53.552 54.000 0.233 0.000 0.748 83 D CB 1.285 42.172 40.800 0.146 0.000 1.387 83 D HN -0.080 nan 8.370 nan 0.000 0.438 84 F N 2.113 122.136 119.950 0.121 0.000 3.034 84 F HA 0.329 4.855 4.527 -0.001 0.000 0.371 84 F C -0.522 175.268 175.800 -0.017 0.000 1.233 84 F CA -0.471 57.576 58.000 0.078 0.000 1.134 84 F CB 0.983 40.126 39.000 0.238 0.000 1.495 84 F HN 0.177 nan 8.300 nan 0.000 0.563 85 E N 4.464 124.399 120.200 -0.442 0.000 2.414 85 E HA 0.078 4.427 4.350 -0.000 0.000 0.263 85 E C 0.096 176.255 176.600 -0.734 0.000 1.000 85 E CA 0.453 56.593 56.400 -0.433 0.000 0.914 85 E CB 0.253 29.777 29.700 -0.293 0.000 0.948 85 E HN 0.641 nan 8.360 nan 0.000 0.444 86 N N 0.982 119.274 118.700 -0.680 0.000 2.818 86 N HA -0.155 4.585 4.740 -0.000 0.000 0.250 86 N C -0.310 174.432 175.510 -1.280 0.000 1.108 86 N CA 1.245 53.680 53.050 -1.025 0.000 0.745 86 N CB -1.234 36.505 38.487 -1.247 0.000 1.104 86 N HN 0.710 nan 8.380 nan 0.000 0.557 87 G N -1.344 106.724 108.800 -1.220 0.000 2.488 87 G HA2 0.527 4.486 3.960 -0.000 0.000 0.301 87 G HA3 0.527 4.486 3.960 -0.000 0.000 0.301 87 G C -1.804 173.113 174.900 0.027 0.000 1.339 87 G CA -0.594 44.194 45.100 -0.520 0.000 0.803 87 G HN -0.031 nan 8.290 nan 0.000 0.482 88 E N -0.863 119.485 120.200 0.248 0.000 2.299 88 E HA 0.577 4.926 4.350 -0.000 0.000 0.265 88 E C -1.438 175.202 176.600 0.066 0.000 0.911 88 E CA -0.596 55.909 56.400 0.176 0.000 0.789 88 E CB 2.456 32.270 29.700 0.190 0.000 1.246 88 E HN 0.662 nan 8.360 nan 0.000 0.427 89 Y N -1.842 118.377 120.300 -0.136 0.000 2.536 89 Y HA 0.730 5.280 4.550 -0.001 0.000 0.347 89 Y C -1.291 174.538 175.900 -0.119 0.000 1.000 89 Y CA -1.359 56.481 58.100 -0.432 0.000 1.051 89 Y CB 1.531 39.401 38.460 -0.983 0.000 1.259 89 Y HN 0.564 nan 8.280 nan 0.000 0.468 90 W N 5.194 126.401 121.300 -0.155 0.000 2.900 90 W HA 0.725 5.386 4.660 0.001 0.000 0.336 90 W C -3.127 173.373 176.519 -0.031 0.000 1.064 90 W CA -2.106 55.209 57.345 -0.051 0.000 1.237 90 W CB 2.352 31.838 29.460 0.044 0.000 1.391 90 W HN 0.446 nan 8.180 nan 0.000 0.468 91 P HA 0.468 nan 4.420 nan 0.000 0.284 91 P C -1.163 176.060 177.300 -0.128 0.000 1.287 91 P CA -0.681 62.035 63.100 -0.639 0.000 0.824 91 P CB 1.054 32.253 31.700 -0.834 0.000 1.180 92 R N 0.510 120.894 120.500 -0.192 0.000 2.233 92 R HA 0.522 4.861 4.340 -0.000 0.000 0.334 92 R C -0.465 175.746 176.300 -0.149 0.000 1.037 92 R CA -0.125 55.962 56.100 -0.023 0.000 0.920 92 R CB 0.469 30.693 30.300 -0.127 0.000 1.137 92 R HN 0.456 nan 8.270 nan 0.000 0.492 93 S N 3.090 118.645 115.700 -0.240 0.000 2.607 93 S HA 0.326 4.796 4.470 -0.000 0.000 0.303 93 S C -1.767 172.560 174.600 -0.456 0.000 1.086 93 S CA -1.411 56.478 58.200 -0.517 0.000 0.995 93 S CB 1.977 64.638 63.200 -0.897 0.000 1.084 93 S HN 0.327 nan 8.310 nan 0.000 0.507 94 P HA -0.041 nan 4.420 nan 0.000 0.215 94 P C -0.320 176.840 177.300 -0.233 0.000 1.157 94 P CA 1.547 64.445 63.100 -0.337 0.000 0.874 94 P CB -0.053 31.380 31.700 -0.446 0.000 0.790 95 Y N -5.739 114.378 120.300 -0.305 0.000 2.744 95 Y HA 0.655 5.204 4.550 -0.000 0.000 0.330 95 Y C -1.108 174.545 175.900 -0.411 0.000 1.263 95 Y CA -1.822 56.159 58.100 -0.198 0.000 1.065 95 Y CB 0.508 38.816 38.460 -0.254 0.000 1.306 95 Y HN -0.300 nan 8.280 nan 0.000 0.459 96 Y N 0.612 121.060 120.300 0.248 0.000 2.462 96 Y HA 0.433 4.982 4.550 -0.000 0.000 0.346 96 Y C -0.344 175.650 175.900 0.156 0.000 0.976 96 Y CA -1.116 57.078 58.100 0.157 0.000 1.044 96 Y CB 1.763 40.345 38.460 0.203 0.000 1.230 96 Y HN 0.566 nan 8.280 nan 0.000 0.455 97 N N 0.275 119.119 118.700 0.240 0.000 2.445 97 N HA 0.212 4.952 4.740 -0.000 0.000 0.264 97 N C -0.767 174.768 175.510 0.041 0.000 1.227 97 N CA -0.523 52.634 53.050 0.179 0.000 0.963 97 N CB 1.073 39.637 38.487 0.128 0.000 1.188 97 N HN 0.338 nan 8.380 nan 0.000 0.491 98 V N 1.671 121.563 119.914 -0.037 0.000 2.557 98 V HA -0.051 4.069 4.120 -0.000 0.000 0.301 98 V C 0.860 176.926 176.094 -0.047 0.000 1.026 98 V CA 1.381 63.621 62.300 -0.099 0.000 1.137 98 V CB 0.150 31.881 31.823 -0.153 0.000 0.917 98 V HN 1.023 nan 8.190 nan 0.000 0.484 99 S N 2.589 118.258 115.700 -0.052 0.000 3.228 99 S HA -0.170 4.300 4.470 -0.000 0.000 0.282 99 S C -0.048 174.584 174.600 0.054 0.000 1.286 99 S CA 0.904 59.103 58.200 -0.001 0.000 1.066 99 S CB -1.975 61.226 63.200 0.001 0.000 1.277 99 S HN 0.786 nan 8.310 nan 0.000 0.661 100 D N 2.039 122.487 120.400 0.081 0.000 2.382 100 D HA 0.522 5.161 4.640 -0.000 0.000 0.245 100 D C 0.220 176.673 176.300 0.255 0.000 1.120 100 D CA 0.249 54.356 54.000 0.178 0.000 0.890 100 D CB 0.960 41.928 40.800 0.280 0.000 1.201 100 D HN 0.635 nan 8.370 nan 0.000 0.433 101 E N 1.365 121.708 120.200 0.239 0.000 2.202 101 E HA 0.604 4.954 4.350 -0.000 0.000 0.272 101 E C -0.998 175.709 176.600 0.180 0.000 0.951 101 E CA -0.748 55.791 56.400 0.231 0.000 0.813 101 E CB 1.633 31.435 29.700 0.170 0.000 1.151 101 E HN 0.376 nan 8.360 nan 0.000 0.398 102 I N 1.761 122.352 120.570 0.035 0.000 2.647 102 I HA 0.376 4.546 4.170 -0.000 0.000 0.295 102 I C -1.284 174.673 176.117 -0.266 0.000 1.078 102 I CA -0.366 60.807 61.300 -0.211 0.000 1.048 102 I CB 2.080 39.662 38.000 -0.697 0.000 1.239 102 I HN 0.455 nan 8.210 nan 0.000 0.421 103 S N 5.452 120.957 115.700 -0.325 0.000 2.566 103 S HA 0.691 5.161 4.470 -0.000 0.000 0.298 103 S C -1.152 172.942 174.600 -0.843 0.000 1.083 103 S CA -0.408 57.575 58.200 -0.362 0.000 0.978 103 S CB 1.676 64.812 63.200 -0.107 0.000 1.073 103 S HN 0.384 nan 8.310 nan 0.000 0.491 104 F N 1.004 120.566 119.950 -0.645 0.000 2.520 104 F HA 0.536 5.062 4.527 -0.001 0.000 0.322 104 F C 0.073 175.458 175.800 -0.691 0.000 1.103 104 F CA -0.572 57.012 58.000 -0.693 0.000 0.926 104 F CB 1.697 40.330 39.000 -0.611 0.000 1.154 104 F HN 0.579 nan 8.300 nan 0.000 0.453 105 H N 0.298 119.467 119.070 0.165 0.000 2.771 105 H HA 0.489 5.045 4.556 -0.000 0.000 0.361 105 H C -1.237 174.232 175.328 0.235 0.000 1.108 105 H CA -0.834 55.316 56.048 0.170 0.000 1.201 105 H CB 1.463 31.285 29.762 0.101 0.000 1.681 105 H HN 0.598 nan 8.280 nan 0.000 0.534 106 c N 2.924 121.716 118.600 0.319 0.000 2.401 106 c HA 0.276 4.846 4.570 -0.000 0.000 0.365 106 c C 0.026 174.312 174.090 0.327 0.000 1.250 106 c CA -0.728 55.752 56.329 0.251 0.000 2.131 106 c CB -0.606 42.044 42.510 0.232 0.000 2.445 106 c HN 0.618 nan 8.230 nan 0.000 0.550 107 Y N 1.438 121.874 120.300 0.227 0.000 2.550 107 Y HA 0.060 4.610 4.550 -0.001 0.000 0.343 107 Y C 1.040 177.121 175.900 0.302 0.000 1.245 107 Y CA 0.183 58.434 58.100 0.253 0.000 1.462 107 Y CB 0.041 38.660 38.460 0.265 0.000 1.340 107 Y HN 0.599 nan 8.280 nan 0.000 0.604 108 D N 0.943 121.551 120.400 0.347 0.000 2.487 108 D HA 0.299 4.938 4.640 -0.000 0.000 0.243 108 D C 1.221 177.602 176.300 0.135 0.000 1.154 108 D CA 1.534 55.648 54.000 0.190 0.000 0.876 108 D CB 0.559 41.418 40.800 0.098 0.000 1.161 108 D HN 0.787 nan 8.370 nan 0.000 0.478 109 G N 1.481 110.298 108.800 0.029 0.000 2.201 109 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.212 109 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.212 109 G C -0.323 174.359 174.900 -0.364 0.000 0.994 109 G CA -0.471 44.512 45.100 -0.195 0.000 0.644 109 G HN 0.428 nan 8.290 nan 0.000 0.508 110 Y N 1.196 121.550 120.300 0.091 0.000 2.429 110 Y HA 0.668 5.218 4.550 0.001 0.000 0.342 110 Y C 0.569 176.506 175.900 0.060 0.000 1.004 110 Y CA -0.420 57.722 58.100 0.069 0.000 1.075 110 Y CB 2.175 40.673 38.460 0.063 0.000 1.214 110 Y HN 0.076 nan 8.280 nan 0.000 0.455 111 T N 3.586 118.253 114.554 0.188 0.000 2.895 111 T HA 0.485 4.835 4.350 -0.000 0.000 0.283 111 T C -0.872 173.890 174.700 0.104 0.000 1.014 111 T CA -0.754 61.418 62.100 0.120 0.000 1.037 111 T CB 1.368 70.280 68.868 0.073 0.000 1.006 111 T HN 0.525 nan 8.240 nan 0.000 0.468 112 L N 3.212 124.487 121.223 0.088 0.000 2.292 112 L HA 0.548 4.888 4.340 -0.000 0.000 0.284 112 L C -0.087 176.799 176.870 0.027 0.000 1.065 112 L CA -0.589 54.290 54.840 0.066 0.000 0.806 112 L CB 0.482 42.595 42.059 0.090 0.000 1.175 112 L HN 0.542 nan 8.230 nan 0.000 0.431 113 R N 3.624 124.122 120.500 -0.003 0.000 2.732 113 R HA 0.774 5.114 4.340 -0.000 0.000 0.278 113 R C 0.126 176.393 176.300 -0.055 0.000 0.976 113 R CA -0.233 55.853 56.100 -0.024 0.000 0.963 113 R CB 1.573 31.854 30.300 -0.032 0.000 1.150 113 R HN 0.926 nan 8.270 nan 0.000 0.478 114 G N 0.743 109.509 108.800 -0.057 0.000 2.593 114 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.237 114 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.237 114 G C -0.789 174.059 174.900 -0.086 0.000 1.312 114 G CA -0.616 44.434 45.100 -0.083 0.000 0.896 114 G HN 0.489 nan 8.290 nan 0.000 0.574 115 S N 1.007 116.635 115.700 -0.121 0.000 2.422 115 S HA 0.527 4.997 4.470 -0.000 0.000 0.283 115 S C 1.423 175.963 174.600 -0.101 0.000 1.163 115 S CA 0.694 58.838 58.200 -0.092 0.000 1.054 115 S CB 1.123 64.276 63.200 -0.078 0.000 0.967 115 S HN 1.655 nan 8.310 nan 0.000 0.499 116 A N 4.268 127.070 122.820 -0.030 0.000 1.898 116 A HA -0.002 4.318 4.320 -0.000 0.000 0.216 116 A C 0.753 178.378 177.584 0.068 0.000 1.181 116 A CA 0.941 52.989 52.037 0.019 0.000 0.620 116 A CB -0.133 18.883 19.000 0.027 0.000 0.819 116 A HN 0.650 nan 8.150 nan 0.000 0.442 117 N N 0.343 119.069 118.700 0.043 0.000 2.392 117 N HA 0.524 5.263 4.740 -0.000 0.000 0.283 117 N C -0.771 174.772 175.510 0.056 0.000 1.003 117 N CA -0.185 52.894 53.050 0.049 0.000 0.892 117 N CB 1.407 39.922 38.487 0.047 0.000 1.193 117 N HN 0.323 nan 8.380 nan 0.000 0.487 118 R N 0.356 120.892 120.500 0.062 0.000 2.807 118 R HA 0.668 5.007 4.340 -0.000 0.000 0.276 118 R C -0.680 175.779 176.300 0.265 0.000 0.979 118 R CA -0.732 55.437 56.100 0.116 0.000 0.928 118 R CB 1.895 32.214 30.300 0.032 0.000 1.191 118 R HN 0.377 nan 8.270 nan 0.000 0.471 119 T N 0.202 114.976 114.554 0.366 0.000 2.876 119 T HA 0.151 4.501 4.350 -0.000 0.000 0.289 119 T C -0.655 174.167 174.700 0.204 0.000 1.014 119 T CA -0.488 61.810 62.100 0.331 0.000 0.986 119 T CB 1.694 70.649 68.868 0.145 0.000 1.021 119 T HN 0.610 nan 8.240 nan 0.000 0.458 120 c N 4.307 122.832 118.600 -0.125 0.000 2.619 120 c HA 0.251 4.821 4.570 -0.000 0.000 0.389 120 c C 0.739 174.658 174.090 -0.286 0.000 1.314 120 c CA -0.050 55.907 56.329 -0.619 0.000 1.678 120 c CB -1.682 40.439 42.510 -0.649 0.000 2.398 120 c HN 0.819 nan 8.230 nan 0.000 0.582 121 Q N 3.031 122.675 119.800 -0.259 0.000 2.318 121 Q HA 0.237 4.576 4.340 -0.000 0.000 0.222 121 Q C 1.034 176.943 176.000 -0.152 0.000 1.003 121 Q CA -0.502 55.213 55.803 -0.146 0.000 0.936 121 Q CB 1.179 29.862 28.738 -0.093 0.000 1.204 121 Q HN 0.686 nan 8.270 nan 0.000 0.524 122 V N 1.299 121.152 119.914 -0.103 0.000 3.241 122 V HA -0.188 3.932 4.120 -0.000 0.000 0.269 122 V C 1.215 177.261 176.094 -0.080 0.000 1.151 122 V CA 1.553 63.794 62.300 -0.099 0.000 1.158 122 V CB -1.123 30.661 31.823 -0.066 0.000 0.764 122 V HN 0.723 nan 8.190 nan 0.000 0.508 123 N N 0.367 119.025 118.700 -0.070 0.000 2.282 123 N HA 0.191 4.931 4.740 -0.000 0.000 0.185 123 N C 1.387 176.864 175.510 -0.055 0.000 1.099 123 N CA 0.989 54.020 53.050 -0.033 0.000 0.878 123 N CB 0.929 39.409 38.487 -0.012 0.000 0.993 123 N HN 0.428 nan 8.380 nan 0.000 0.481 124 G N 0.051 108.774 108.800 -0.128 0.000 2.179 124 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.220 124 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.220 124 G C -0.286 174.475 174.900 -0.233 0.000 0.990 124 G CA -0.362 44.638 45.100 -0.167 0.000 0.646 124 G HN 0.327 nan 8.290 nan 0.000 0.517 125 R N -0.603 119.779 120.500 -0.196 0.000 2.486 125 R HA 0.497 4.837 4.340 -0.000 0.000 0.286 125 R C -0.330 175.859 176.300 -0.185 0.000 0.999 125 R CA -0.726 55.287 56.100 -0.144 0.000 0.993 125 R CB 0.800 31.062 30.300 -0.063 0.000 1.084 125 R HN 0.214 nan 8.270 nan 0.000 0.487 126 W N 1.290 122.554 121.300 -0.060 0.000 2.261 126 W HA 0.082 4.742 4.660 0.000 0.000 0.323 126 W C 1.288 177.773 176.519 -0.056 0.000 1.243 126 W CA 0.037 57.343 57.345 -0.065 0.000 1.210 126 W CB 0.787 30.195 29.460 -0.087 0.000 1.149 126 W HN 0.589 nan 8.180 nan 0.000 0.562 127 S N 2.869 118.714 115.700 0.242 0.000 2.617 127 S HA 0.679 5.149 4.470 -0.000 0.000 0.259 127 S C 0.927 175.586 174.600 0.099 0.000 1.301 127 S CA 0.140 58.415 58.200 0.124 0.000 0.984 127 S CB 0.551 63.812 63.200 0.102 0.000 0.954 127 S HN 1.383 nan 8.310 nan 0.000 0.572 128 G N 0.885 109.712 108.800 0.045 0.000 2.564 128 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.273 128 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.273 128 G C -0.823 174.072 174.900 -0.008 0.000 1.242 128 G CA 0.636 45.742 45.100 0.011 0.000 0.951 128 G HN 1.087 nan 8.290 nan 0.000 0.564 129 Q N -1.334 118.438 119.800 -0.046 0.000 2.484 129 Q HA 0.662 5.002 4.340 -0.000 0.000 0.285 129 Q C -0.043 175.874 176.000 -0.138 0.000 1.097 129 Q CA -0.423 55.337 55.803 -0.072 0.000 0.802 129 Q CB 1.448 30.148 28.738 -0.063 0.000 1.444 129 Q HN 0.671 nan 8.270 nan 0.000 0.429 130 T N 1.611 116.074 114.554 -0.152 0.000 2.849 130 T HA 0.201 4.550 4.350 -0.000 0.000 0.289 130 T C -0.263 174.276 174.700 -0.268 0.000 1.010 130 T CA 0.350 62.317 62.100 -0.222 0.000 1.161 130 T CB -0.068 68.691 68.868 -0.182 0.000 0.989 130 T HN 0.560 nan 8.240 nan 0.000 0.523 131 A N 4.845 127.402 122.820 -0.438 0.000 2.331 131 A HA 0.674 4.994 4.320 -0.000 0.000 0.283 131 A C -0.019 177.472 177.584 -0.156 0.000 1.142 131 A CA -0.574 51.217 52.037 -0.411 0.000 0.812 131 A CB 0.191 18.603 19.000 -0.980 0.000 1.074 131 A HN 0.850 nan 8.150 nan 0.000 0.497 132 I N 1.495 121.998 120.570 -0.111 0.000 2.534 132 I HA 0.231 4.401 4.170 -0.000 0.000 0.288 132 I C -1.020 175.015 176.117 -0.136 0.000 1.077 132 I CA -0.392 60.811 61.300 -0.162 0.000 1.051 132 I CB 2.054 39.961 38.000 -0.154 0.000 1.234 132 I HN 0.492 nan 8.210 nan 0.000 0.425 133 c N 4.245 122.676 118.600 -0.282 0.000 2.223 133 c HA 0.555 5.125 4.570 -0.000 0.000 0.324 133 c C -0.014 174.006 174.090 -0.116 0.000 1.196 133 c CA -0.052 56.168 56.329 -0.181 0.000 1.628 133 c CB -0.266 42.056 42.510 -0.313 0.000 2.229 133 c HN 0.652 nan 8.230 nan 0.000 0.486 134 D N 1.431 121.879 120.400 0.080 0.000 2.559 134 D HA 0.401 5.041 4.640 -0.000 0.000 0.250 134 D C 0.129 176.590 176.300 0.269 0.000 1.135 134 D CA -0.306 53.807 54.000 0.188 0.000 0.955 134 D CB 1.301 42.140 40.800 0.065 0.000 1.442 134 D HN 0.499 nan 8.370 nan 0.000 0.471 135 N N 0.507 119.346 118.700 0.233 0.000 2.143 135 N HA 0.175 4.914 4.740 -0.000 0.000 0.222 135 N C 1.147 176.691 175.510 0.057 0.000 1.264 135 N CA 0.533 53.633 53.050 0.083 0.000 0.897 135 N CB 0.783 39.214 38.487 -0.093 0.000 1.092 135 N HN 0.656 nan 8.380 nan 0.000 0.516 136 G N 0.252 109.102 108.800 0.083 0.000 2.189 136 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.267 136 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.267 136 G C 1.118 176.058 174.900 0.067 0.000 0.975 136 G CA 0.737 45.873 45.100 0.060 0.000 0.644 136 G HN 0.805 nan 8.290 nan 0.000 0.537 137 A N 0.086 122.955 122.820 0.082 0.000 2.070 137 A HA 0.467 4.786 4.320 -0.000 0.000 0.220 137 A C 1.975 179.630 177.584 0.119 0.000 1.159 137 A CA 1.995 54.081 52.037 0.082 0.000 0.656 137 A CB -0.421 18.622 19.000 0.071 0.000 0.800 137 A HN 1.837 nan 8.150 nan 0.000 0.453 138 G N -3.118 105.780 108.800 0.163 0.000 2.634 138 G HA2 0.268 4.228 3.960 -0.000 0.000 0.255 138 G HA3 0.268 4.228 3.960 -0.000 0.000 0.255 138 G C 0.422 175.430 174.900 0.181 0.000 1.205 138 G CA 0.039 45.266 45.100 0.213 0.000 0.884 138 G HN 0.284 nan 8.290 nan 0.000 0.549 139 Y N -0.636 119.699 120.300 0.058 0.000 2.365 139 Y HA 0.154 4.704 4.550 -0.001 0.000 0.293 139 Y C 1.326 177.196 175.900 -0.049 0.000 1.119 139 Y CA -0.135 57.962 58.100 -0.004 0.000 1.203 139 Y CB 0.171 38.614 38.460 -0.028 0.000 1.026 139 Y HN 0.396 nan 8.280 nan 0.000 0.549 140 c N 0.665 119.261 118.600 -0.007 0.000 2.562 140 c HA 0.543 5.113 4.570 -0.000 0.000 0.332 140 c C 0.268 174.408 174.090 0.083 0.000 1.201 140 c CA -0.858 55.375 56.329 -0.159 0.000 1.803 140 c CB 0.904 43.081 42.510 -0.555 0.000 2.328 140 c HN 0.501 nan 8.230 nan 0.000 0.500 141 S N 2.155 117.931 115.700 0.127 0.000 2.584 141 S HA 0.065 4.535 4.470 -0.000 0.000 0.270 141 S C -0.014 174.628 174.600 0.069 0.000 1.346 141 S CA -0.251 58.028 58.200 0.130 0.000 1.018 141 S CB 0.253 63.517 63.200 0.107 0.000 0.899 141 S HN 0.789 nan 8.310 nan 0.000 0.542 142 N N 2.109 120.695 118.700 -0.192 0.000 2.434 142 N HA 0.090 4.830 4.740 -0.000 0.000 0.268 142 N C -1.830 173.418 175.510 -0.436 0.000 1.256 142 N CA -1.462 51.246 53.050 -0.569 0.000 0.914 142 N CB 0.776 39.088 38.487 -0.292 0.000 1.088 142 N HN 0.382 nan 8.380 nan 0.000 0.478 143 P HA 0.109 nan 4.420 nan 0.000 0.233 143 P C 0.352 177.434 177.300 -0.364 0.000 1.167 143 P CA 0.389 63.077 63.100 -0.686 0.000 0.770 143 P CB -0.034 30.924 31.700 -1.237 0.000 0.837 144 G N 0.137 108.761 108.800 -0.293 0.000 2.795 144 G HA2 -0.175 3.784 3.960 -0.000 0.000 0.664 144 G HA3 -0.175 3.784 3.960 -0.000 0.000 0.664 144 G C -0.888 173.967 174.900 -0.075 0.000 1.381 144 G CA -0.698 44.286 45.100 -0.193 0.000 0.853 144 G HN 0.158 nan 8.290 nan 0.000 0.545 145 I N 1.620 122.155 120.570 -0.059 0.000 2.521 145 I HA 0.291 4.461 4.170 -0.000 0.000 0.277 145 I C -2.291 173.805 176.117 -0.035 0.000 1.054 145 I CA -1.865 59.454 61.300 0.032 0.000 1.117 145 I CB 2.360 40.391 38.000 0.052 0.000 1.217 145 I HN 0.191 nan 8.210 nan 0.000 0.469 146 P HA 0.098 nan 4.420 nan 0.000 0.263 146 P C 0.071 177.341 177.300 -0.050 0.000 1.195 146 P CA 0.084 63.114 63.100 -0.116 0.000 0.762 146 P CB 0.358 31.954 31.700 -0.174 0.000 0.799 147 I N 2.832 123.363 120.570 -0.066 0.000 2.828 147 I HA -0.031 4.139 4.170 -0.000 0.000 0.292 147 I C 1.659 177.824 176.117 0.079 0.000 1.206 147 I CA 1.545 62.824 61.300 -0.035 0.000 1.420 147 I CB -0.588 37.314 38.000 -0.163 0.000 1.368 147 I HN 0.765 nan 8.210 nan 0.000 0.556 148 G N 3.671 112.553 108.800 0.136 0.000 2.380 148 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.197 148 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.197 148 G C 0.277 175.319 174.900 0.236 0.000 1.001 148 G CA 0.001 45.226 45.100 0.208 0.000 0.668 148 G HN 0.723 nan 8.290 nan 0.000 0.483 149 T N -0.999 113.644 114.554 0.149 0.000 2.936 149 T HA 0.791 5.141 4.350 -0.000 0.000 0.282 149 T C -0.114 174.607 174.700 0.035 0.000 1.003 149 T CA -0.623 61.518 62.100 0.068 0.000 1.005 149 T CB 2.148 71.049 68.868 0.055 0.000 1.097 149 T HN 0.375 nan 8.240 nan 0.000 0.532 150 R N 0.766 121.203 120.500 -0.105 0.000 2.599 150 R HA 0.520 4.859 4.340 -0.000 0.000 0.295 150 R C -0.751 175.354 176.300 -0.326 0.000 0.963 150 R CA -0.915 55.064 56.100 -0.201 0.000 0.883 150 R CB 2.281 32.410 30.300 -0.286 0.000 1.171 150 R HN 0.693 nan 8.270 nan 0.000 0.450 151 K N 2.161 122.403 120.400 -0.264 0.000 2.292 151 K HA 0.395 4.715 4.320 -0.000 0.000 0.257 151 K C -1.229 175.188 176.600 -0.305 0.000 0.940 151 K CA -0.592 55.431 56.287 -0.441 0.000 0.811 151 K CB 1.811 34.053 32.500 -0.430 0.000 1.120 151 K HN 0.288 nan 8.250 nan 0.000 0.428 152 V N 3.015 122.744 119.914 -0.308 0.000 2.326 152 V HA 0.712 4.832 4.120 -0.000 0.000 0.281 152 V C -0.153 175.865 176.094 -0.127 0.000 1.015 152 V CA -0.228 61.992 62.300 -0.134 0.000 0.823 152 V CB 0.824 32.642 31.823 -0.009 0.000 1.009 152 V HN 1.004 nan 8.190 nan 0.000 0.436 153 G N 3.361 112.107 108.800 -0.090 0.000 2.462 153 G HA2 0.307 4.267 3.960 -0.000 0.000 0.424 153 G HA3 0.307 4.267 3.960 -0.000 0.000 0.424 153 G C -0.218 174.655 174.900 -0.044 0.000 1.573 153 G CA -0.014 45.054 45.100 -0.054 0.000 0.913 153 G HN 1.103 nan 8.290 nan 0.000 0.672 154 S N -0.090 115.522 115.700 -0.147 0.000 2.820 154 S HA 0.267 4.737 4.470 -0.000 0.000 0.265 154 S C 0.056 174.168 174.600 -0.812 0.000 1.043 154 S CA -0.182 57.803 58.200 -0.359 0.000 1.245 154 S CB 0.610 63.704 63.200 -0.177 0.000 1.187 154 S HN 0.637 nan 8.310 nan 0.000 0.673 155 Q N 1.538 121.031 119.800 -0.513 0.000 2.314 155 Q HA 0.371 4.710 4.340 -0.000 0.000 0.259 155 Q C -1.275 174.587 176.000 -0.230 0.000 0.951 155 Q CA -0.200 55.360 55.803 -0.404 0.000 0.909 155 Q CB 0.963 29.616 28.738 -0.141 0.000 1.236 155 Q HN 0.530 nan 8.270 nan 0.000 0.444 156 Y N 0.993 121.404 120.300 0.185 0.000 2.764 156 Y HA 0.316 4.866 4.550 -0.001 0.000 0.350 156 Y C 0.507 176.486 175.900 0.130 0.000 0.982 156 Y CA -0.513 57.745 58.100 0.263 0.000 1.431 156 Y CB 0.175 38.855 38.460 0.366 0.000 1.326 156 Y HN 0.257 nan 8.280 nan 0.000 0.550 157 R N -0.036 120.560 120.500 0.160 0.000 2.531 157 R HA 0.389 4.729 4.340 -0.000 0.000 0.260 157 R C -0.542 175.779 176.300 0.034 0.000 1.144 157 R CA -1.275 54.871 56.100 0.076 0.000 1.171 157 R CB 0.562 30.866 30.300 0.007 0.000 1.199 157 R HN 0.117 nan 8.270 nan 0.000 0.594 158 L N 2.709 123.893 121.223 -0.066 0.000 2.499 158 L HA -0.040 4.300 4.340 -0.000 0.000 0.273 158 L C 0.156 176.998 176.870 -0.048 0.000 1.195 158 L CA 0.959 55.751 54.840 -0.080 0.000 0.882 158 L CB -0.243 41.655 42.059 -0.268 0.000 1.133 158 L HN 0.639 nan 8.230 nan 0.000 0.483 159 E N 1.309 121.490 120.200 -0.030 0.000 3.286 159 E HA -0.235 4.115 4.350 -0.000 0.000 0.292 159 E C -0.533 176.085 176.600 0.031 0.000 0.928 159 E CA 0.817 57.215 56.400 -0.004 0.000 0.982 159 E CB -1.109 28.585 29.700 -0.009 0.000 1.500 159 E HN 0.727 nan 8.360 nan 0.000 0.441 160 D N 0.276 120.707 120.400 0.051 0.000 2.210 160 D HA 0.347 4.987 4.640 -0.000 0.000 0.249 160 D C -0.059 176.394 176.300 0.254 0.000 1.078 160 D CA -0.001 54.075 54.000 0.126 0.000 0.875 160 D CB 1.093 41.979 40.800 0.143 0.000 1.175 160 D HN -0.118 nan 8.370 nan 0.000 0.440 161 S N 0.395 116.234 115.700 0.232 0.000 2.578 161 S HA 0.686 5.156 4.470 -0.000 0.000 0.301 161 S C -0.143 174.583 174.600 0.209 0.000 1.091 161 S CA -0.871 57.495 58.200 0.277 0.000 1.032 161 S CB 1.898 65.195 63.200 0.162 0.000 1.064 161 S HN 0.336 nan 8.310 nan 0.000 0.508 162 V N -0.552 119.441 119.914 0.132 0.000 2.823 162 V HA 0.946 5.065 4.120 -0.000 0.000 0.312 162 V C -0.323 175.670 176.094 -0.168 0.000 1.072 162 V CA -0.826 61.421 62.300 -0.088 0.000 0.937 162 V CB 1.368 33.031 31.823 -0.265 0.000 1.013 162 V HN 0.966 nan 8.190 nan 0.000 0.430 163 T N 0.841 115.239 114.554 -0.260 0.000 2.887 163 T HA 0.793 5.142 4.350 -0.000 0.000 0.288 163 T C -1.165 173.288 174.700 -0.412 0.000 1.021 163 T CA -0.495 61.503 62.100 -0.170 0.000 1.000 163 T CB 1.535 70.412 68.868 0.015 0.000 1.034 163 T HN 0.669 nan 8.240 nan 0.000 0.467 164 Y N 1.447 121.708 120.300 -0.066 0.000 2.485 164 Y HA 0.643 5.192 4.550 -0.001 0.000 0.345 164 Y C 0.813 176.649 175.900 -0.107 0.000 0.998 164 Y CA -0.778 57.204 58.100 -0.196 0.000 1.059 164 Y CB 1.880 40.252 38.460 -0.145 0.000 1.234 164 Y HN 0.876 nan 8.280 nan 0.000 0.461 165 H N -1.056 118.073 119.070 0.099 0.000 2.942 165 H HA 0.702 5.258 4.556 -0.000 0.000 0.316 165 H C -1.530 173.804 175.328 0.010 0.000 1.323 165 H CA -1.206 54.864 56.048 0.037 0.000 1.144 165 H CB 1.194 30.956 29.762 0.000 0.000 1.866 165 H HN 0.628 nan 8.280 nan 0.000 0.545 166 c N 0.438 119.116 118.600 0.130 0.000 2.667 166 c HA 0.403 4.973 4.570 -0.000 0.000 0.323 166 c C 0.364 174.472 174.090 0.030 0.000 1.214 166 c CA -0.604 55.750 56.329 0.042 0.000 1.721 166 c CB 1.590 44.117 42.510 0.030 0.000 2.275 166 c HN 0.822 nan 8.230 nan 0.000 0.491 167 S N 2.148 117.849 115.700 0.002 0.000 2.629 167 S HA 0.019 4.489 4.470 -0.000 0.000 0.302 167 S C 0.344 174.968 174.600 0.040 0.000 1.244 167 S CA 0.167 58.381 58.200 0.023 0.000 1.098 167 S CB -0.122 63.141 63.200 0.104 0.000 0.858 167 S HN 0.569 nan 8.310 nan 0.000 0.502 168 R N 2.042 122.563 120.500 0.035 0.000 2.494 168 R HA 0.190 4.530 4.340 -0.000 0.000 0.291 168 R C 1.535 177.857 176.300 0.036 0.000 0.953 168 R CA 0.990 57.108 56.100 0.029 0.000 1.098 168 R CB -0.210 30.104 30.300 0.023 0.000 0.911 168 R HN 1.023 nan 8.270 nan 0.000 0.407 169 G N 1.978 110.794 108.800 0.026 0.000 2.799 169 G HA2 -0.225 3.734 3.960 -0.000 0.000 0.200 169 G HA3 -0.225 3.734 3.960 -0.000 0.000 0.200 169 G C -0.437 174.465 174.900 0.004 0.000 1.206 169 G CA -0.729 44.386 45.100 0.025 0.000 0.827 169 G HN 0.336 nan 8.290 nan 0.000 0.511 170 L N 2.515 123.739 121.223 0.001 0.000 2.466 170 L HA 0.660 5.000 4.340 -0.000 0.000 0.257 170 L C 1.187 178.044 176.870 -0.022 0.000 1.189 170 L CA 0.705 55.529 54.840 -0.028 0.000 0.813 170 L CB 1.145 43.193 42.059 -0.019 0.000 1.118 170 L HN 0.665 nan 8.230 nan 0.000 0.471 171 T N -0.724 113.805 114.554 -0.041 0.000 2.907 171 T HA 0.633 4.982 4.350 -0.000 0.000 0.292 171 T C -0.702 173.979 174.700 -0.032 0.000 1.043 171 T CA -0.838 61.245 62.100 -0.028 0.000 1.003 171 T CB 1.422 70.270 68.868 -0.033 0.000 1.084 171 T HN 0.291 nan 8.240 nan 0.000 0.483 172 L N 1.978 123.192 121.223 -0.015 0.000 2.292 172 L HA 0.579 4.919 4.340 -0.000 0.000 0.284 172 L C 0.368 177.214 176.870 -0.040 0.000 1.065 172 L CA -0.393 54.435 54.840 -0.020 0.000 0.806 172 L CB 0.759 42.825 42.059 0.012 0.000 1.175 172 L HN 0.829 nan 8.230 nan 0.000 0.431 173 R N 3.902 124.364 120.500 -0.065 0.000 2.664 173 R HA 0.750 5.090 4.340 -0.000 0.000 0.286 173 R C 0.028 176.271 176.300 -0.095 0.000 0.967 173 R CA 0.207 56.259 56.100 -0.080 0.000 0.933 173 R CB 1.198 31.442 30.300 -0.094 0.000 1.146 173 R HN 0.934 nan 8.270 nan 0.000 0.468 174 G N 1.277 110.020 108.800 -0.094 0.000 2.615 174 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 174 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 174 G C -0.959 173.896 174.900 -0.075 0.000 1.339 174 G CA -0.338 44.702 45.100 -0.099 0.000 0.884 174 G HN 0.617 nan 8.290 nan 0.000 0.559 175 S N 0.529 116.185 115.700 -0.073 0.000 2.505 175 S HA 0.379 4.849 4.470 -0.000 0.000 0.276 175 S C 1.469 176.080 174.600 0.019 0.000 1.274 175 S CA 0.801 58.988 58.200 -0.022 0.000 1.053 175 S CB 1.349 64.549 63.200 -0.001 0.000 0.919 175 S HN 0.963 nan 8.310 nan 0.000 0.490 176 Q N 3.365 123.199 119.800 0.057 0.000 2.424 176 Q HA 0.188 4.528 4.340 -0.000 0.000 0.204 176 Q C 0.543 176.638 176.000 0.158 0.000 0.933 176 Q CA 0.683 56.556 55.803 0.116 0.000 0.929 176 Q CB 0.297 29.087 28.738 0.086 0.000 1.037 176 Q HN 0.483 nan 8.270 nan 0.000 0.511 177 R N 0.126 120.703 120.500 0.128 0.000 2.564 177 R HA 0.505 4.844 4.340 -0.000 0.000 0.284 177 R C -1.452 174.935 176.300 0.145 0.000 1.031 177 R CA -0.619 55.557 56.100 0.126 0.000 0.904 177 R CB 1.360 31.714 30.300 0.089 0.000 1.199 177 R HN 0.111 nan 8.270 nan 0.000 0.443 178 R N 2.286 122.894 120.500 0.181 0.000 2.513 178 R HA 0.369 4.709 4.340 -0.000 0.000 0.301 178 R C -1.074 175.484 176.300 0.431 0.000 0.968 178 R CA -0.874 55.384 56.100 0.263 0.000 0.872 178 R CB 2.580 33.014 30.300 0.223 0.000 1.177 178 R HN 0.492 nan 8.270 nan 0.000 0.444 179 T N 1.505 116.294 114.554 0.393 0.000 2.829 179 T HA 0.113 4.463 4.350 -0.000 0.000 0.282 179 T C -0.228 174.575 174.700 0.172 0.000 0.990 179 T CA -0.397 61.892 62.100 0.315 0.000 1.028 179 T CB 1.343 70.299 68.868 0.146 0.000 0.951 179 T HN 0.612 nan 8.240 nan 0.000 0.460 180 c N 5.120 123.621 118.600 -0.164 0.000 2.619 180 c HA 0.287 4.857 4.570 -0.000 0.000 0.389 180 c C 0.405 174.343 174.090 -0.253 0.000 1.314 180 c CA -0.172 55.756 56.329 -0.667 0.000 1.678 180 c CB -1.705 40.374 42.510 -0.720 0.000 2.398 180 c HN 0.794 nan 8.230 nan 0.000 0.582 181 Q N 2.899 122.564 119.800 -0.225 0.000 2.215 181 Q HA 0.207 4.547 4.340 -0.000 0.000 0.256 181 Q C 0.960 176.940 176.000 -0.034 0.000 0.972 181 Q CA -0.456 55.300 55.803 -0.079 0.000 0.889 181 Q CB 1.416 30.127 28.738 -0.046 0.000 1.281 181 Q HN 0.827 nan 8.270 nan 0.000 0.456 182 E N 1.153 121.376 120.200 0.039 0.000 2.187 182 E HA -0.239 4.110 4.350 -0.000 0.000 0.199 182 E C 1.616 178.248 176.600 0.054 0.000 1.004 182 E CA 1.430 57.907 56.400 0.129 0.000 0.813 182 E CB -0.184 29.567 29.700 0.086 0.000 0.736 182 E HN 0.937 nan 8.360 nan 0.000 0.468 183 G N -0.427 108.349 108.800 -0.039 0.000 2.475 183 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.220 183 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.220 183 G C 1.190 175.951 174.900 -0.232 0.000 1.125 183 G CA 0.987 46.029 45.100 -0.097 0.000 0.755 183 G HN 0.584 nan 8.290 nan 0.000 0.565 184 G N -1.465 107.136 108.800 -0.332 0.000 2.192 184 G HA2 -0.098 3.861 3.960 -0.000 0.000 0.193 184 G HA3 -0.098 3.861 3.960 -0.000 0.000 0.193 184 G C 0.438 175.115 174.900 -0.372 0.000 0.999 184 G CA 0.639 45.440 45.100 -0.498 0.000 0.659 184 G HN 1.447 nan 8.290 nan 0.000 0.503 185 S N -0.688 114.849 115.700 -0.271 0.000 2.654 185 S HA 0.734 5.204 4.470 -0.000 0.000 0.283 185 S C -0.399 174.062 174.600 -0.231 0.000 1.180 185 S CA -0.826 57.269 58.200 -0.175 0.000 1.021 185 S CB 1.476 64.640 63.200 -0.061 0.000 1.018 185 S HN 0.390 nan 8.310 nan 0.000 0.532 186 W N 1.869 123.157 121.300 -0.020 0.000 2.365 186 W HA 0.507 5.166 4.660 -0.001 0.000 0.316 186 W C 1.053 177.573 176.519 0.002 0.000 1.164 186 W CA -0.408 56.937 57.345 0.000 0.000 1.204 186 W CB 1.149 30.607 29.460 -0.003 0.000 1.213 186 W HN 0.898 nan 8.180 nan 0.000 0.539 187 S N 2.988 118.833 115.700 0.242 0.000 2.580 187 S HA 0.675 5.144 4.470 -0.000 0.000 0.266 187 S C 0.753 175.439 174.600 0.143 0.000 1.354 187 S CA 0.436 58.724 58.200 0.148 0.000 1.008 187 S CB 0.657 63.928 63.200 0.119 0.000 0.898 187 S HN 1.490 nan 8.310 nan 0.000 0.555 188 G N 0.319 109.161 108.800 0.071 0.000 2.593 188 G HA2 0.020 3.979 3.960 -0.000 0.000 0.237 188 G HA3 0.020 3.979 3.960 -0.000 0.000 0.237 188 G C -0.107 174.799 174.900 0.010 0.000 1.312 188 G CA -0.044 45.075 45.100 0.032 0.000 0.896 188 G HN 1.711 nan 8.290 nan 0.000 0.574 189 T N -0.731 113.807 114.554 -0.027 0.000 2.906 189 T HA 0.542 4.892 4.350 -0.000 0.000 0.295 189 T C -0.125 174.507 174.700 -0.113 0.000 1.075 189 T CA 0.381 62.450 62.100 -0.052 0.000 1.005 189 T CB 1.655 70.491 68.868 -0.053 0.000 1.136 189 T HN 0.781 nan 8.240 nan 0.000 0.498 190 E N 2.948 123.065 120.200 -0.138 0.000 2.558 190 E HA 0.138 4.488 4.350 -0.000 0.000 0.255 190 E C -2.137 174.306 176.600 -0.262 0.000 0.968 190 E CA -1.098 55.161 56.400 -0.236 0.000 0.939 190 E CB 0.538 30.123 29.700 -0.191 0.000 0.921 190 E HN 0.317 nan 8.360 nan 0.000 0.477 191 P HA 0.128 nan 4.420 nan 0.000 0.276 191 P C -1.399 175.749 177.300 -0.253 0.000 1.252 191 P CA -0.407 62.491 63.100 -0.337 0.000 0.802 191 P CB 1.175 32.569 31.700 -0.510 0.000 1.035 192 S N -0.917 114.685 115.700 -0.165 0.000 2.537 192 S HA 0.427 4.897 4.470 -0.000 0.000 0.271 192 S C -1.034 173.515 174.600 -0.084 0.000 1.148 192 S CA -0.739 57.393 58.200 -0.114 0.000 0.868 192 S CB 0.124 63.265 63.200 -0.098 0.000 1.115 192 S HN 0.427 nan 8.310 nan 0.000 0.461 193 c N 2.768 121.333 118.600 -0.059 0.000 2.463 193 c HA 0.726 5.296 4.570 -0.000 0.000 0.380 193 c C -0.249 173.784 174.090 -0.096 0.000 1.264 193 c CA -0.305 55.992 56.329 -0.053 0.000 2.161 193 c CB 0.572 43.078 42.510 -0.008 0.000 2.515 193 c HN 0.780 nan 8.230 nan 0.000 0.565 194 Q N 2.435 122.163 119.800 -0.119 0.000 2.340 194 Q HA 0.401 4.741 4.340 -0.000 0.000 0.268 194 Q C -1.093 174.756 176.000 -0.252 0.000 1.031 194 Q CA -0.421 55.268 55.803 -0.189 0.000 0.804 194 Q CB 2.195 30.838 28.738 -0.157 0.000 1.286 194 Q HN 0.665 nan 8.270 nan 0.000 0.448 195 D N 0.317 120.456 120.400 -0.435 0.000 2.294 195 D HA 0.109 4.749 4.640 -0.000 0.000 0.250 195 D C 1.216 177.185 176.300 -0.551 0.000 1.058 195 D CA -0.022 53.627 54.000 -0.585 0.000 0.950 195 D CB 1.491 41.548 40.800 -1.239 0.000 1.158 195 D HN 0.517 nan 8.370 nan 0.000 0.453 196 S N 0.879 116.360 115.700 -0.366 0.000 2.359 196 S HA -0.238 4.231 4.470 -0.000 0.000 0.224 196 S C 1.972 176.342 174.600 -0.383 0.000 1.035 196 S CA 1.251 59.305 58.200 -0.244 0.000 1.018 196 S CB -0.733 62.437 63.200 -0.051 0.000 0.876 196 S HN 0.615 nan 8.310 nan 0.000 0.448 197 F N 0.765 120.541 119.950 -0.291 0.000 2.502 197 F HA 0.431 4.957 4.527 -0.000 0.000 0.298 197 F C 1.099 176.579 175.800 -0.533 0.000 1.111 197 F CA -0.617 57.183 58.000 -0.333 0.000 1.445 197 F CB -0.755 38.176 39.000 -0.115 0.000 1.081 197 F HN 0.046 nan 8.300 nan 0.000 0.558 198 M N 1.533 120.503 119.600 -1.051 0.000 2.269 198 M HA 0.103 4.582 4.480 -0.000 0.000 0.350 198 M C -1.409 174.553 176.300 -0.564 0.000 1.429 198 M CA 0.540 55.426 55.300 -0.690 0.000 1.063 198 M CB 0.176 32.389 32.600 -0.645 0.000 1.841 198 M HN 0.087 nan 8.290 nan 0.000 0.455 199 Y N 1.106 121.367 120.300 -0.064 0.000 2.512 199 Y HA 0.321 4.871 4.550 -0.000 0.000 0.348 199 Y C -0.157 175.740 175.900 -0.005 0.000 0.990 199 Y CA -1.411 56.681 58.100 -0.014 0.000 1.033 199 Y CB 1.403 39.877 38.460 0.023 0.000 1.259 199 Y HN 0.535 nan 8.280 nan 0.000 0.461 200 D N 1.329 121.864 120.400 0.224 0.000 2.308 200 D HA 0.145 4.785 4.640 -0.000 0.000 0.251 200 D C 0.302 176.666 176.300 0.107 0.000 1.127 200 D CA 0.041 54.128 54.000 0.145 0.000 0.876 200 D CB 1.361 42.272 40.800 0.185 0.000 1.176 200 D HN 0.601 nan 8.370 nan 0.000 0.446 201 T N -0.122 114.467 114.554 0.059 0.000 2.868 201 T HA 0.188 4.538 4.350 -0.000 0.000 0.292 201 T C -1.777 172.911 174.700 -0.020 0.000 1.028 201 T CA -1.343 60.767 62.100 0.017 0.000 1.059 201 T CB 1.513 70.386 68.868 0.009 0.000 0.991 201 T HN -0.013 nan 8.240 nan 0.000 0.531 202 P HA -0.055 nan 4.420 nan 0.000 0.215 202 P C 1.608 178.840 177.300 -0.114 0.000 1.157 202 P CA 1.108 64.160 63.100 -0.081 0.000 0.863 202 P CB 0.011 31.673 31.700 -0.065 0.000 0.787 203 Q N -0.230 119.507 119.800 -0.105 0.000 2.124 203 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 203 Q C 2.142 177.987 176.000 -0.258 0.000 0.977 203 Q CA 1.470 57.150 55.803 -0.205 0.000 0.850 203 Q CB -0.660 27.978 28.738 -0.166 0.000 0.901 203 Q HN 0.399 nan 8.270 nan 0.000 0.429 204 E N -0.375 119.738 120.200 -0.144 0.000 2.051 204 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 204 E C 2.024 178.582 176.600 -0.070 0.000 0.991 204 E CA 1.344 57.687 56.400 -0.096 0.000 0.799 204 E CB -0.017 29.673 29.700 -0.018 0.000 0.748 204 E HN 0.123 nan 8.360 nan 0.000 0.449 205 V N 1.356 121.217 119.914 -0.088 0.000 2.261 205 V HA -0.299 3.821 4.120 -0.000 0.000 0.246 205 V C 2.341 178.265 176.094 -0.284 0.000 1.047 205 V CA 1.888 64.053 62.300 -0.224 0.000 1.015 205 V CB -0.790 30.843 31.823 -0.316 0.000 0.642 205 V HN 0.344 nan 8.190 nan 0.000 0.446 206 A N 0.239 122.918 122.820 -0.236 0.000 1.884 206 A HA -0.353 3.967 4.320 -0.000 0.000 0.219 206 A C 2.175 179.781 177.584 0.036 0.000 1.197 206 A CA 2.617 54.584 52.037 -0.116 0.000 0.637 206 A CB -0.687 18.279 19.000 -0.057 0.000 0.827 206 A HN 0.672 nan 8.150 nan 0.000 0.450 207 E N 0.206 120.339 120.200 -0.111 0.000 2.023 207 E HA -0.092 4.258 4.350 -0.000 0.000 0.196 207 E C 2.040 178.692 176.600 0.087 0.000 1.003 207 E CA 2.162 58.544 56.400 -0.031 0.000 0.809 207 E CB -0.711 28.829 29.700 -0.266 0.000 0.755 207 E HN 0.470 nan 8.360 nan 0.000 0.449 208 A N 0.032 122.903 122.820 0.086 0.000 1.892 208 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 208 A C 2.317 180.051 177.584 0.250 0.000 1.188 208 A CA 1.788 53.941 52.037 0.194 0.000 0.631 208 A CB -1.210 17.991 19.000 0.336 0.000 0.822 208 A HN 0.507 nan 8.150 nan 0.000 0.447 209 F N 0.041 120.027 119.950 0.059 0.000 2.051 209 F HA -0.152 4.375 4.527 -0.000 0.000 0.296 209 F C 1.863 177.679 175.800 0.026 0.000 1.122 209 F CA 1.874 59.892 58.000 0.029 0.000 1.201 209 F CB -0.608 38.248 39.000 -0.239 0.000 0.978 209 F HN 0.170 nan 8.300 nan 0.000 0.472 210 L N -0.049 121.159 121.223 -0.025 0.000 2.189 210 L HA -0.189 4.151 4.340 -0.000 0.000 0.214 210 L C 2.584 179.430 176.870 -0.040 0.000 1.097 210 L CA 2.047 56.854 54.840 -0.055 0.000 0.764 210 L CB -1.287 40.891 42.059 0.199 0.000 0.900 210 L HN 0.381 nan 8.230 nan 0.000 0.436 211 S N -2.120 113.596 115.700 0.027 0.000 2.470 211 S HA -0.067 4.403 4.470 -0.000 0.000 0.225 211 S C 2.079 176.686 174.600 0.011 0.000 1.006 211 S CA 0.962 59.191 58.200 0.049 0.000 0.934 211 S CB -0.127 63.130 63.200 0.095 0.000 0.778 211 S HN 0.698 nan 8.310 nan 0.000 0.517 212 S N 0.237 115.927 115.700 -0.017 0.000 2.492 212 S HA 0.150 4.620 4.470 -0.000 0.000 0.218 212 S C 1.642 176.239 174.600 -0.005 0.000 1.016 212 S CA 0.123 58.331 58.200 0.013 0.000 0.916 212 S CB -0.246 62.961 63.200 0.011 0.000 0.791 212 S HN 0.394 nan 8.310 nan 0.000 0.513 213 L N 3.020 124.140 121.223 -0.171 0.000 2.240 213 L HA 0.242 4.582 4.340 -0.000 0.000 0.211 213 L C 1.153 177.946 176.870 -0.129 0.000 1.106 213 L CA 1.570 56.283 54.840 -0.211 0.000 0.793 213 L CB -0.410 41.305 42.059 -0.574 0.000 0.927 213 L HN 0.666 nan 8.230 nan 0.000 0.446 214 T N -3.323 111.153 114.554 -0.130 0.000 2.844 214 T HA 0.448 4.798 4.350 -0.000 0.000 0.274 214 T C -0.306 174.341 174.700 -0.088 0.000 0.991 214 T CA -0.835 61.175 62.100 -0.151 0.000 0.983 214 T CB 1.208 69.951 68.868 -0.208 0.000 1.310 214 T HN 0.151 nan 8.240 nan 0.000 0.596 215 E N 0.735 120.877 120.200 -0.096 0.000 2.182 215 E HA 0.375 4.725 4.350 -0.000 0.000 0.258 215 E C -0.587 175.987 176.600 -0.043 0.000 0.879 215 E CA -0.559 55.809 56.400 -0.054 0.000 0.754 215 E CB 1.930 31.598 29.700 -0.053 0.000 1.162 215 E HN 0.673 nan 8.360 nan 0.000 0.419 234 R N 1.665 122.173 120.500 0.013 0.000 2.596 234 R HA 0.458 4.798 4.340 -0.000 0.000 0.267 234 R C -0.487 175.716 176.300 -0.161 0.000 1.026 234 R CA -0.782 55.284 56.100 -0.057 0.000 1.087 234 R CB 1.326 31.596 30.300 -0.051 0.000 1.132 234 R HN 0.622 nan 8.270 nan 0.000 0.531 235 K N 0.769 121.008 120.400 -0.268 0.000 2.536 235 K HA 0.379 4.699 4.320 -0.000 0.000 0.269 235 K C -1.108 175.252 176.600 -0.399 0.000 0.965 235 K CA -0.744 55.333 56.287 -0.350 0.000 0.860 235 K CB 1.469 33.871 32.500 -0.163 0.000 1.423 235 K HN 0.393 nan 8.250 nan 0.000 0.438 236 I N 2.010 122.337 120.570 -0.404 0.000 2.396 236 I HA 0.196 4.366 4.170 -0.000 0.000 0.292 236 I C -0.312 175.720 176.117 -0.141 0.000 0.999 236 I CA -1.359 59.788 61.300 -0.255 0.000 1.310 236 I CB 1.808 39.694 38.000 -0.192 0.000 1.404 236 I HN 0.284 nan 8.210 nan 0.000 0.496 237 V N 7.482 127.331 119.914 -0.109 0.000 2.318 237 V HA 0.332 4.452 4.120 -0.000 0.000 0.271 237 V C 0.364 176.418 176.094 -0.066 0.000 1.030 237 V CA -0.285 61.966 62.300 -0.082 0.000 0.844 237 V CB 0.726 32.500 31.823 -0.081 0.000 1.015 237 V HN 0.485 nan 8.190 nan 0.000 0.460 238 L N 2.952 124.147 121.223 -0.048 0.000 2.365 238 L HA 0.629 4.968 4.340 -0.000 0.000 0.267 238 L C 0.004 176.864 176.870 -0.018 0.000 1.033 238 L CA -0.998 53.826 54.840 -0.028 0.000 0.802 238 L CB 1.253 43.299 42.059 -0.021 0.000 1.267 238 L HN 0.437 nan 8.230 nan 0.000 0.457 239 D N -0.025 120.380 120.400 0.007 0.000 2.377 239 D HA 0.219 4.859 4.640 -0.000 0.000 0.245 239 D C -2.332 173.963 176.300 -0.008 0.000 1.196 239 D CA -1.058 52.948 54.000 0.011 0.000 0.962 239 D CB 0.012 40.836 40.800 0.040 0.000 1.127 239 D HN 0.209 nan 8.370 nan 0.000 0.471 240 P HA 0.012 nan 4.420 nan 0.000 0.257 240 P C -0.319 176.967 177.300 -0.023 0.000 1.189 240 P CA 0.406 63.495 63.100 -0.019 0.000 0.780 240 P CB -0.166 31.521 31.700 -0.021 0.000 0.772 241 S N 1.240 116.927 115.700 -0.022 0.000 3.524 241 S HA -0.142 4.327 4.470 -0.000 0.000 0.377 241 S C 0.718 175.302 174.600 -0.028 0.000 0.949 241 S CA 0.336 58.522 58.200 -0.025 0.000 1.264 241 S CB -2.126 61.057 63.200 -0.027 0.000 0.918 241 S HN 0.703 nan 8.310 nan 0.000 0.517 242 G N 0.251 109.038 108.800 -0.021 0.000 2.773 242 G HA2 0.783 4.743 3.960 -0.000 0.000 0.186 242 G HA3 0.783 4.743 3.960 -0.000 0.000 0.186 242 G C -0.140 174.746 174.900 -0.023 0.000 1.411 242 G CA -0.242 44.847 45.100 -0.017 0.000 1.054 242 G HN 1.681 nan 8.290 nan 0.000 0.579 243 S N -2.034 113.654 115.700 -0.019 0.000 2.595 243 S HA 0.606 5.076 4.470 -0.000 0.000 0.270 243 S C -1.435 173.136 174.600 -0.048 0.000 1.145 243 S CA -0.566 57.611 58.200 -0.038 0.000 0.825 243 S CB 1.327 64.501 63.200 -0.043 0.000 1.107 243 S HN 0.802 nan 8.310 nan 0.000 0.461 244 M N 2.866 122.419 119.600 -0.078 0.000 2.371 244 M HA 0.536 5.016 4.480 -0.000 0.000 0.287 244 M C -2.215 173.996 176.300 -0.149 0.000 1.149 244 M CA -0.454 54.790 55.300 -0.093 0.000 0.929 244 M CB 1.901 34.467 32.600 -0.058 0.000 1.683 244 M HN 0.721 nan 8.290 nan 0.000 0.470 245 N N 4.486 123.092 118.700 -0.156 0.000 2.314 245 N HA 0.631 5.371 4.740 -0.000 0.000 0.294 245 N C -1.537 173.849 175.510 -0.207 0.000 1.029 245 N CA -0.240 52.665 53.050 -0.242 0.000 0.845 245 N CB 2.077 40.438 38.487 -0.210 0.000 1.321 245 N HN 0.611 nan 8.380 nan 0.000 0.481 246 I N 2.461 122.852 120.570 -0.298 0.000 2.406 246 I HA 0.305 4.475 4.170 -0.000 0.000 0.290 246 I C -0.888 175.196 176.117 -0.054 0.000 0.999 246 I CA -0.778 60.517 61.300 -0.007 0.000 1.124 246 I CB 0.919 39.028 38.000 0.181 0.000 1.289 246 I HN 0.375 nan 8.210 nan 0.000 0.441 247 Y N 6.410 126.885 120.300 0.291 0.000 2.417 247 Y HA 0.456 5.006 4.550 -0.000 0.000 0.336 247 Y C -0.147 175.897 175.900 0.240 0.000 0.961 247 Y CA -0.831 57.426 58.100 0.262 0.000 1.215 247 Y CB 0.773 39.370 38.460 0.227 0.000 1.120 247 Y HN 0.297 nan 8.280 nan 0.000 0.499 248 L N 5.019 126.426 121.223 0.307 0.000 2.315 248 L HA 0.421 4.760 4.340 -0.000 0.000 0.283 248 L C -0.547 176.448 176.870 0.209 0.000 1.089 248 L CA -0.752 54.210 54.840 0.203 0.000 0.833 248 L CB 0.441 42.540 42.059 0.067 0.000 1.170 248 L HN 0.358 nan 8.230 nan 0.000 0.442 249 V N 5.238 125.277 119.914 0.208 0.000 2.376 249 V HA 0.328 4.447 4.120 -0.000 0.000 0.287 249 V C -0.282 175.961 176.094 0.248 0.000 1.015 249 V CA -0.465 61.958 62.300 0.204 0.000 0.834 249 V CB 1.921 33.820 31.823 0.127 0.000 1.001 249 V HN 0.408 nan 8.190 nan 0.000 0.428 250 L N 4.273 125.677 121.223 0.303 0.000 2.296 250 L HA 0.648 4.988 4.340 -0.000 0.000 0.286 250 L C -0.300 176.836 176.870 0.445 0.000 1.023 250 L CA -0.095 54.912 54.840 0.279 0.000 0.812 250 L CB 1.553 43.661 42.059 0.081 0.000 1.223 250 L HN 0.657 nan 8.230 nan 0.000 0.421 251 D N 2.842 123.432 120.400 0.317 0.000 2.277 251 D HA 0.435 5.075 4.640 -0.000 0.000 0.249 251 D C 0.564 176.889 176.300 0.043 0.000 1.134 251 D CA 0.056 54.029 54.000 -0.045 0.000 0.863 251 D CB 1.703 42.517 40.800 0.024 0.000 1.143 251 D HN 0.715 nan 8.370 nan 0.000 0.458 252 G N 2.097 110.796 108.800 -0.169 0.000 3.735 252 G HA2 0.125 4.085 3.960 -0.000 0.000 0.283 252 G HA3 0.125 4.085 3.960 -0.000 0.000 0.283 252 G C 0.448 175.319 174.900 -0.048 0.000 1.007 252 G CA -0.042 45.037 45.100 -0.036 0.000 0.821 252 G HN 0.506 nan 8.290 nan 0.000 0.505 253 S N -0.804 114.816 115.700 -0.134 0.000 2.606 253 S HA 0.418 4.888 4.470 -0.000 0.000 0.257 253 S C 1.780 176.414 174.600 0.056 0.000 1.327 253 S CA 0.310 58.469 58.200 -0.069 0.000 0.984 253 S CB 1.291 64.424 63.200 -0.112 0.000 0.941 253 S HN 0.285 nan 8.310 nan 0.000 0.576 254 G N 0.304 109.136 108.800 0.052 0.000 2.498 254 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.219 254 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.219 254 G C 1.392 176.327 174.900 0.059 0.000 1.119 254 G CA 0.669 45.823 45.100 0.090 0.000 0.766 254 G HN 0.981 nan 8.290 nan 0.000 0.552 255 S N 0.016 115.734 115.700 0.030 0.000 2.555 255 S HA 0.110 4.579 4.470 -0.000 0.000 0.230 255 S C 1.928 176.541 174.600 0.021 0.000 0.978 255 S CA 0.357 58.571 58.200 0.023 0.000 0.934 255 S CB -0.071 63.139 63.200 0.016 0.000 0.766 255 S HN 0.242 nan 8.310 nan 0.000 0.533 256 I N 1.162 121.740 120.570 0.015 0.000 2.685 256 I HA 0.359 4.529 4.170 -0.000 0.000 0.251 256 I C 1.545 177.623 176.117 -0.064 0.000 1.102 256 I CA 1.101 62.397 61.300 -0.008 0.000 1.442 256 I CB -1.994 36.011 38.000 0.008 0.000 1.194 256 I HN 0.539 nan 8.210 nan 0.000 0.448 257 G N 0.584 109.310 108.800 -0.123 0.000 2.661 257 G HA2 0.005 3.964 3.960 -0.000 0.000 0.685 257 G HA3 0.005 3.964 3.960 -0.000 0.000 0.685 257 G C 0.534 175.061 174.900 -0.622 0.000 1.298 257 G CA 0.013 44.998 45.100 -0.193 0.000 0.855 257 G HN 0.448 nan 8.290 nan 0.000 0.560 258 A N -0.178 122.382 122.820 -0.433 0.000 1.854 258 A HA 0.251 4.570 4.320 -0.000 0.000 0.214 258 A C 2.893 180.352 177.584 -0.209 0.000 1.192 258 A CA 2.886 54.666 52.037 -0.427 0.000 0.611 258 A CB -1.064 17.947 19.000 0.019 0.000 0.832 258 A HN 2.348 nan 8.150 nan 0.000 0.442 259 S N 0.056 115.691 115.700 -0.109 0.000 2.372 259 S HA -0.266 4.204 4.470 -0.000 0.000 0.227 259 S C 1.613 176.168 174.600 -0.074 0.000 1.044 259 S CA 2.248 60.410 58.200 -0.063 0.000 1.050 259 S CB -0.565 62.611 63.200 -0.040 0.000 0.901 259 S HN 0.541 nan 8.310 nan 0.000 0.447 260 D N -0.306 120.039 120.400 -0.091 0.000 2.162 260 D HA 0.069 4.709 4.640 -0.000 0.000 0.203 260 D C 1.499 177.750 176.300 -0.081 0.000 0.967 260 D CA 0.730 54.685 54.000 -0.075 0.000 0.840 260 D CB -0.525 40.243 40.800 -0.053 0.000 0.972 260 D HN 0.492 nan 8.370 nan 0.000 0.482 261 F N 1.644 121.433 119.950 -0.267 0.000 2.046 261 F HA -0.228 4.299 4.527 -0.000 0.000 0.297 261 F C 2.398 178.100 175.800 -0.163 0.000 1.123 261 F CA 2.163 60.021 58.000 -0.236 0.000 1.199 261 F CB -0.690 38.078 39.000 -0.386 0.000 0.972 261 F HN -0.010 nan 8.300 nan 0.000 0.474 262 T N -2.285 112.254 114.554 -0.025 0.000 3.113 262 T HA 0.076 4.426 4.350 -0.000 0.000 0.263 262 T C 1.992 176.591 174.700 -0.169 0.000 1.143 262 T CA 0.794 62.840 62.100 -0.089 0.000 1.090 262 T CB -0.872 68.015 68.868 0.032 0.000 0.922 262 T HN 0.331 nan 8.240 nan 0.000 0.521 263 G N 0.887 109.584 108.800 -0.171 0.000 2.441 263 G HA2 0.295 4.255 3.960 -0.000 0.000 0.212 263 G HA3 0.295 4.255 3.960 -0.000 0.000 0.212 263 G C 1.860 176.611 174.900 -0.248 0.000 1.164 263 G CA 0.337 45.335 45.100 -0.169 0.000 0.811 263 G HN 0.630 nan 8.290 nan 0.000 0.535 264 A N 0.915 123.559 122.820 -0.293 0.000 1.978 264 A HA -0.019 4.301 4.320 -0.000 0.000 0.220 264 A C 2.222 179.540 177.584 -0.444 0.000 1.170 264 A CA 1.992 53.814 52.037 -0.358 0.000 0.636 264 A CB -0.344 18.453 19.000 -0.337 0.000 0.810 264 A HN 0.367 nan 8.150 nan 0.000 0.448 265 K N -0.058 120.059 120.400 -0.471 0.000 1.991 265 K HA -0.191 4.129 4.320 -0.000 0.000 0.212 265 K C 2.043 178.420 176.600 -0.372 0.000 1.049 265 K CA 1.951 57.976 56.287 -0.436 0.000 0.932 265 K CB -0.225 32.040 32.500 -0.392 0.000 0.717 265 K HN 0.487 nan 8.250 nan 0.000 0.441 266 K N 0.279 120.490 120.400 -0.316 0.000 2.113 266 K HA -0.182 4.138 4.320 -0.000 0.000 0.208 266 K C 2.317 178.668 176.600 -0.415 0.000 1.047 266 K CA 1.560 57.666 56.287 -0.301 0.000 0.928 266 K CB -0.324 32.040 32.500 -0.226 0.000 0.716 266 K HN 0.227 nan 8.250 nan 0.000 0.446 267 C N 1.042 120.053 119.300 -0.482 0.000 2.436 267 C HA -0.068 4.391 4.460 -0.000 0.000 0.277 267 C C 2.578 177.032 174.990 -0.894 0.000 1.241 267 C CA 0.537 59.129 59.018 -0.710 0.000 1.721 267 C CB -0.807 26.494 27.740 -0.731 0.000 2.043 267 C HN 0.418 nan 8.230 nan 0.000 0.472 268 L N 0.346 121.145 121.223 -0.705 0.000 2.093 268 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 268 L C 2.545 179.140 176.870 -0.458 0.000 1.085 268 L CA 1.026 55.508 54.840 -0.596 0.000 0.755 268 L CB -0.753 41.033 42.059 -0.455 0.000 0.904 268 L HN 0.223 nan 8.230 nan 0.000 0.435 269 V N 0.260 119.935 119.914 -0.398 0.000 2.282 269 V HA -0.340 3.780 4.120 -0.000 0.000 0.249 269 V C 2.292 178.221 176.094 -0.274 0.000 1.057 269 V CA 2.075 64.191 62.300 -0.305 0.000 1.032 269 V CB -0.714 30.954 31.823 -0.259 0.000 0.645 269 V HN 0.517 nan 8.190 nan 0.000 0.447 270 N N -0.154 118.353 118.700 -0.321 0.000 2.120 270 N HA -0.152 4.588 4.740 -0.000 0.000 0.188 270 N C 1.713 177.124 175.510 -0.164 0.000 1.024 270 N CA 1.458 54.366 53.050 -0.237 0.000 0.852 270 N CB -0.557 37.763 38.487 -0.278 0.000 1.003 270 N HN 0.390 nan 8.380 nan 0.000 0.424 271 L N 1.599 122.668 121.223 -0.256 0.000 2.013 271 L HA -0.131 4.209 4.340 -0.000 0.000 0.212 271 L C 1.929 178.781 176.870 -0.030 0.000 1.073 271 L CA 1.369 56.151 54.840 -0.097 0.000 0.753 271 L CB -0.640 41.284 42.059 -0.224 0.000 0.890 271 L HN 0.062 nan 8.230 nan 0.000 0.432 272 I N -0.170 120.329 120.570 -0.118 0.000 2.118 272 I HA -0.326 3.843 4.170 -0.000 0.000 0.241 272 I C 2.564 178.681 176.117 -0.001 0.000 1.070 272 I CA 1.848 63.111 61.300 -0.061 0.000 1.327 272 I CB -1.495 36.385 38.000 -0.201 0.000 1.034 272 I HN 0.531 nan 8.210 nan 0.000 0.405 273 E N 0.927 121.096 120.200 -0.051 0.000 2.153 273 E HA -0.276 4.073 4.350 -0.000 0.000 0.194 273 E C 2.125 178.690 176.600 -0.058 0.000 0.988 273 E CA 1.259 57.633 56.400 -0.043 0.000 0.811 273 E CB 0.147 29.815 29.700 -0.054 0.000 0.746 273 E HN 0.191 nan 8.360 nan 0.000 0.466 274 K N 0.317 120.686 120.400 -0.053 0.000 2.001 274 K HA -0.075 4.245 4.320 -0.000 0.000 0.208 274 K C 1.957 178.437 176.600 -0.201 0.000 1.048 274 K CA 1.258 57.478 56.287 -0.112 0.000 0.932 274 K CB -0.609 31.883 32.500 -0.014 0.000 0.715 274 K HN 0.014 nan 8.250 nan 0.000 0.437 275 V N 1.160 121.059 119.914 -0.024 0.000 2.407 275 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 275 V C 2.288 178.407 176.094 0.042 0.000 1.055 275 V CA 1.899 64.242 62.300 0.070 0.000 1.049 275 V CB -0.841 31.109 31.823 0.213 0.000 0.662 275 V HN 0.475 nan 8.190 nan 0.000 0.455 276 A N 0.563 123.399 122.820 0.027 0.000 1.972 276 A HA -0.166 4.153 4.320 -0.000 0.000 0.219 276 A C 2.215 179.789 177.584 -0.016 0.000 1.169 276 A CA 1.845 53.901 52.037 0.032 0.000 0.635 276 A CB -0.571 18.449 19.000 0.033 0.000 0.810 276 A HN 0.707 nan 8.150 nan 0.000 0.446 277 S N -2.058 113.570 115.700 -0.121 0.000 2.840 277 S HA 0.193 4.663 4.470 -0.000 0.000 0.235 277 S C 0.602 175.106 174.600 -0.160 0.000 0.968 277 S CA -0.033 58.078 58.200 -0.149 0.000 1.026 277 S CB -0.533 62.545 63.200 -0.203 0.000 0.788 277 S HN 0.466 nan 8.310 nan 0.000 0.487 278 Y N 0.890 121.196 120.300 0.011 0.000 2.426 278 Y HA 0.413 4.963 4.550 -0.000 0.000 0.249 278 Y C 1.752 177.652 175.900 0.001 0.000 1.103 278 Y CA -0.963 57.139 58.100 0.002 0.000 1.256 278 Y CB 0.093 38.554 38.460 0.003 0.000 1.208 278 Y HN 0.434 nan 8.280 nan 0.000 0.519 279 G N 1.199 110.086 108.800 0.144 0.000 2.198 279 G HA2 -0.176 3.783 3.960 -0.000 0.000 0.257 279 G HA3 -0.176 3.783 3.960 -0.000 0.000 0.257 279 G C -0.260 174.682 174.900 0.069 0.000 1.042 279 G CA 0.306 45.456 45.100 0.084 0.000 0.791 279 G HN 0.426 nan 8.290 nan 0.000 0.502 280 V N -3.437 116.527 119.914 0.083 0.000 2.555 280 V HA 0.834 4.954 4.120 -0.000 0.000 0.302 280 V C -0.056 176.050 176.094 0.020 0.000 1.038 280 V CA -1.767 60.558 62.300 0.041 0.000 0.887 280 V CB 2.094 33.940 31.823 0.038 0.000 0.991 280 V HN 0.077 nan 8.190 nan 0.000 0.434 281 K N 4.495 124.889 120.400 -0.010 0.000 2.356 281 K HA 0.477 4.796 4.320 -0.000 0.000 0.243 281 K C -2.729 173.814 176.600 -0.096 0.000 1.072 281 K CA -1.309 54.960 56.287 -0.030 0.000 1.014 281 K CB 1.232 33.725 32.500 -0.010 0.000 1.523 281 K HN 0.607 nan 8.250 nan 0.000 0.455 282 P HA 0.304 nan 4.420 nan 0.000 0.282 282 P C -0.481 176.563 177.300 -0.427 0.000 1.249 282 P CA -0.625 62.292 63.100 -0.304 0.000 0.806 282 P CB 0.891 32.354 31.700 -0.395 0.000 0.984 283 R N 1.908 122.227 120.500 -0.302 0.000 2.347 283 R HA 0.293 4.633 4.340 -0.000 0.000 0.304 283 R C -0.435 175.688 176.300 -0.296 0.000 1.072 283 R CA -0.115 55.855 56.100 -0.217 0.000 0.980 283 R CB 0.055 30.294 30.300 -0.103 0.000 0.986 283 R HN 0.457 nan 8.270 nan 0.000 0.448 284 Y N 0.193 120.480 120.300 -0.021 0.000 2.334 284 Y HA 0.429 4.978 4.550 -0.000 0.000 0.328 284 Y C 0.998 176.891 175.900 -0.012 0.000 1.130 284 Y CA -0.471 57.612 58.100 -0.027 0.000 1.163 284 Y CB 2.089 40.571 38.460 0.037 0.000 1.207 284 Y HN 0.668 nan 8.280 nan 0.000 0.471 285 G N 3.086 111.992 108.800 0.177 0.000 2.544 285 G HA2 0.540 4.500 3.960 -0.000 0.000 0.313 285 G HA3 0.540 4.500 3.960 -0.000 0.000 0.313 285 G C -2.201 172.856 174.900 0.261 0.000 1.316 285 G CA -0.503 44.725 45.100 0.214 0.000 0.944 285 G HN 0.429 nan 8.290 nan 0.000 0.489 286 L N 3.171 124.554 121.223 0.267 0.000 2.349 286 L HA 0.763 5.103 4.340 -0.000 0.000 0.278 286 L C -0.875 176.210 176.870 0.357 0.000 0.996 286 L CA -0.893 54.093 54.840 0.243 0.000 0.825 286 L CB 1.990 44.148 42.059 0.165 0.000 1.243 286 L HN 0.295 nan 8.230 nan 0.000 0.412 287 V N 3.455 123.573 119.914 0.340 0.000 2.567 287 V HA 0.518 4.638 4.120 -0.000 0.000 0.298 287 V C 0.064 176.422 176.094 0.439 0.000 1.047 287 V CA -0.436 62.121 62.300 0.428 0.000 0.880 287 V CB 1.954 33.963 31.823 0.311 0.000 1.009 287 V HN 0.846 nan 8.190 nan 0.000 0.429 288 T N 2.119 117.038 114.554 0.609 0.000 2.927 288 T HA 0.868 5.218 4.350 -0.000 0.000 0.281 288 T C -0.690 174.387 174.700 0.629 0.000 0.998 288 T CA -0.452 62.022 62.100 0.624 0.000 1.019 288 T CB 1.900 71.217 68.868 0.749 0.000 1.061 288 T HN 1.072 nan 8.240 nan 0.000 0.518 289 Y N -1.473 118.885 120.300 0.097 0.000 2.677 289 Y HA 0.771 5.321 4.550 -0.000 0.000 0.334 289 Y C -0.414 175.290 175.900 -0.327 0.000 1.196 289 Y CA -0.963 57.094 58.100 -0.071 0.000 1.059 289 Y CB 0.719 39.225 38.460 0.077 0.000 1.315 289 Y HN 0.970 nan 8.280 nan 0.000 0.455 290 A N 0.903 123.523 122.820 -0.333 0.000 2.032 290 A HA 0.330 4.649 4.320 -0.000 0.000 0.169 290 A C 0.950 178.477 177.584 -0.096 0.000 1.369 290 A CA 0.301 52.134 52.037 -0.341 0.000 2.498 290 A CB -0.423 18.385 19.000 -0.321 0.000 2.850 290 A HN 0.789 nan 8.150 nan 0.000 1.174 291 T N -0.082 114.434 114.554 -0.063 0.000 2.833 291 T HA 0.111 4.461 4.350 -0.000 0.000 0.269 291 T C -0.037 174.437 174.700 -0.377 0.000 1.054 291 T CA 1.774 63.764 62.100 -0.184 0.000 1.135 291 T CB -0.423 68.364 68.868 -0.135 0.000 0.869 291 T HN 0.368 nan 8.240 nan 0.000 0.466 292 Y N -0.056 120.325 120.300 0.134 0.000 2.581 292 Y HA 0.474 5.024 4.550 -0.000 0.000 0.345 292 Y C -2.719 173.323 175.900 0.238 0.000 1.036 292 Y CA -3.110 55.086 58.100 0.159 0.000 1.042 292 Y CB 1.562 40.097 38.460 0.126 0.000 1.289 292 Y HN -0.183 nan 8.280 nan 0.000 0.471 293 P HA 0.304 nan 4.420 nan 0.000 0.282 293 P C -1.226 176.268 177.300 0.324 0.000 1.249 293 P CA -0.744 62.572 63.100 0.361 0.000 0.806 293 P CB 1.178 33.024 31.700 0.243 0.000 0.984 294 K N 2.399 123.015 120.400 0.360 0.000 2.376 294 K HA 0.491 4.811 4.320 -0.000 0.000 0.257 294 K C -1.019 175.638 176.600 0.096 0.000 0.939 294 K CA -0.609 55.753 56.287 0.126 0.000 0.809 294 K CB 0.417 32.918 32.500 0.001 0.000 1.121 294 K HN 0.355 nan 8.250 nan 0.000 0.425 295 I N 5.498 126.054 120.570 -0.023 0.000 2.287 295 I HA 0.171 4.341 4.170 -0.000 0.000 0.290 295 I C 0.007 176.135 176.117 0.019 0.000 1.069 295 I CA -0.436 60.920 61.300 0.093 0.000 1.237 295 I CB 0.611 38.676 38.000 0.108 0.000 1.418 295 I HN 0.711 nan 8.210 nan 0.000 0.481 296 W N 5.016 126.399 121.300 0.138 0.000 2.640 296 W HA 0.196 4.856 4.660 -0.000 0.000 0.268 296 W C 0.263 176.863 176.519 0.134 0.000 1.263 296 W CA 0.157 57.570 57.345 0.114 0.000 1.344 296 W CB 0.159 29.673 29.460 0.089 0.000 1.093 296 W HN 0.131 nan 8.180 nan 0.000 0.603 297 V N 1.075 121.209 119.914 0.367 0.000 2.697 297 V HA 0.222 4.341 4.120 -0.000 0.000 0.300 297 V C -0.232 176.019 176.094 0.263 0.000 1.115 297 V CA -1.695 60.791 62.300 0.310 0.000 0.912 297 V CB 1.833 33.840 31.823 0.307 0.000 1.024 297 V HN -0.239 nan 8.190 nan 0.000 0.431 298 K N 1.661 122.196 120.400 0.225 0.000 2.098 298 K HA 0.445 4.765 4.320 -0.000 0.000 0.261 298 K C 1.118 177.824 176.600 0.177 0.000 0.987 298 K CA -0.351 56.056 56.287 0.200 0.000 0.916 298 K CB 2.227 34.826 32.500 0.165 0.000 1.039 298 K HN 0.614 nan 8.250 nan 0.000 0.455 299 V N -0.960 119.053 119.914 0.165 0.000 2.970 299 V HA -0.192 3.928 4.120 -0.000 0.000 0.260 299 V C 1.830 177.986 176.094 0.104 0.000 1.100 299 V CA 1.940 64.305 62.300 0.109 0.000 1.122 299 V CB -0.481 31.393 31.823 0.085 0.000 0.721 299 V HN 0.811 nan 8.190 nan 0.000 0.483 300 S N -0.010 115.763 115.700 0.121 0.000 2.395 300 S HA -0.034 4.436 4.470 -0.000 0.000 0.225 300 S C 0.912 175.553 174.600 0.069 0.000 1.027 300 S CA 0.245 58.503 58.200 0.096 0.000 0.965 300 S CB -0.753 62.510 63.200 0.105 0.000 0.812 300 S HN 0.771 nan 8.310 nan 0.000 0.482 301 E N 1.118 121.366 120.200 0.080 0.000 2.508 301 E HA 0.150 4.499 4.350 -0.000 0.000 0.266 301 E C 1.394 177.996 176.600 0.004 0.000 1.010 301 E CA 0.125 56.556 56.400 0.052 0.000 0.955 301 E CB 0.283 30.041 29.700 0.097 0.000 0.946 301 E HN 0.484 nan 8.360 nan 0.000 0.454 302 A N 4.116 126.905 122.820 -0.051 0.000 1.877 302 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 302 A C 1.339 178.849 177.584 -0.124 0.000 1.186 302 A CA 1.566 53.552 52.037 -0.085 0.000 0.620 302 A CB -0.089 18.843 19.000 -0.113 0.000 0.822 302 A HN 0.629 nan 8.150 nan 0.000 0.443 303 D N 0.173 120.426 120.400 -0.245 0.000 2.324 303 D HA -0.005 4.635 4.640 -0.000 0.000 0.235 303 D C 1.816 178.071 176.300 -0.076 0.000 1.095 303 D CA 0.884 54.682 54.000 -0.335 0.000 0.871 303 D CB -0.036 40.161 40.800 -1.005 0.000 0.906 303 D HN 0.606 nan 8.370 nan 0.000 0.522 304 S N 0.308 116.029 115.700 0.035 0.000 2.447 304 S HA -0.124 4.346 4.470 -0.000 0.000 0.233 304 S C 1.666 176.367 174.600 0.170 0.000 1.006 304 S CA 0.509 58.810 58.200 0.169 0.000 0.957 304 S CB -0.238 63.044 63.200 0.135 0.000 0.773 304 S HN 0.139 nan 8.310 nan 0.000 0.507 305 S N 1.268 117.016 115.700 0.080 0.000 2.582 305 S HA 0.325 4.795 4.470 -0.000 0.000 0.249 305 S C -0.086 174.573 174.600 0.098 0.000 1.072 305 S CA -0.801 57.428 58.200 0.048 0.000 1.115 305 S CB -0.578 62.616 63.200 -0.011 0.000 0.790 305 S HN 0.413 nan 8.310 nan 0.000 0.459 306 N N 1.174 119.985 118.700 0.185 0.000 2.573 306 N HA 0.499 5.239 4.740 -0.000 0.000 0.262 306 N C 0.858 176.521 175.510 0.254 0.000 1.029 306 N CA 0.032 53.196 53.050 0.189 0.000 0.882 306 N CB 1.521 40.107 38.487 0.164 0.000 1.204 306 N HN 0.197 nan 8.380 nan 0.000 0.519 307 A N 3.288 126.234 122.820 0.210 0.000 1.903 307 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 307 A C 1.511 179.156 177.584 0.102 0.000 1.191 307 A CA 1.836 53.975 52.037 0.170 0.000 0.638 307 A CB -0.315 18.762 19.000 0.127 0.000 0.823 307 A HN 0.660 nan 8.150 nan 0.000 0.451 308 D N -1.486 118.983 120.400 0.114 0.000 2.097 308 D HA -0.170 4.470 4.640 -0.000 0.000 0.195 308 D C 1.680 178.052 176.300 0.119 0.000 0.989 308 D CA 1.138 55.193 54.000 0.091 0.000 0.827 308 D CB -0.449 40.411 40.800 0.100 0.000 0.966 308 D HN 0.744 nan 8.370 nan 0.000 0.456 309 W N 1.489 122.799 121.300 0.017 0.000 2.358 309 W HA -0.187 4.473 4.660 -0.000 0.000 0.303 309 W C 1.610 178.135 176.519 0.011 0.000 1.208 309 W CA 0.987 58.346 57.345 0.023 0.000 1.274 309 W CB -0.241 29.245 29.460 0.043 0.000 1.138 309 W HN -0.159 nan 8.180 nan 0.000 0.515 310 V N 1.046 121.034 119.914 0.125 0.000 2.358 310 V HA -0.292 3.827 4.120 -0.000 0.000 0.246 310 V C 2.321 178.300 176.094 -0.192 0.000 1.047 310 V CA 2.426 64.702 62.300 -0.040 0.000 1.035 310 V CB -1.546 30.265 31.823 -0.019 0.000 0.658 310 V HN 0.109 nan 8.190 nan 0.000 0.452 311 T N -0.419 114.038 114.554 -0.161 0.000 2.833 311 T HA -0.172 4.177 4.350 -0.000 0.000 0.269 311 T C 1.890 176.468 174.700 -0.204 0.000 1.054 311 T CA 1.308 63.296 62.100 -0.186 0.000 1.135 311 T CB -0.200 68.588 68.868 -0.134 0.000 0.869 311 T HN 0.476 nan 8.240 nan 0.000 0.466 312 K N 0.495 120.761 120.400 -0.222 0.000 2.288 312 K HA 0.027 4.347 4.320 -0.000 0.000 0.201 312 K C 2.440 178.834 176.600 -0.343 0.000 1.048 312 K CA 0.639 56.768 56.287 -0.263 0.000 0.956 312 K CB 0.071 32.405 32.500 -0.277 0.000 0.746 312 K HN 0.234 nan 8.250 nan 0.000 0.461 313 Q N 0.348 119.903 119.800 -0.408 0.000 2.212 313 Q HA -0.034 4.306 4.340 -0.000 0.000 0.199 313 Q C 2.052 177.879 176.000 -0.287 0.000 0.950 313 Q CA 0.688 56.287 55.803 -0.340 0.000 0.863 313 Q CB -0.013 28.542 28.738 -0.305 0.000 0.944 313 Q HN 0.204 nan 8.270 nan 0.000 0.465 314 L N 1.207 122.254 121.223 -0.293 0.000 2.179 314 L HA 0.006 4.345 4.340 -0.000 0.000 0.208 314 L C 1.301 177.984 176.870 -0.312 0.000 1.096 314 L CA 1.279 55.923 54.840 -0.327 0.000 0.779 314 L CB -0.157 41.719 42.059 -0.304 0.000 0.922 314 L HN 0.062 nan 8.230 nan 0.000 0.443 315 N N -0.379 118.172 118.700 -0.249 0.000 2.398 315 N HA -0.042 4.698 4.740 -0.000 0.000 0.188 315 N C 1.050 176.459 175.510 -0.169 0.000 1.122 315 N CA 0.333 53.266 53.050 -0.195 0.000 0.866 315 N CB 0.190 38.584 38.487 -0.155 0.000 0.970 315 N HN 0.468 nan 8.380 nan 0.000 0.462 316 E N 0.257 120.334 120.200 -0.206 0.000 2.400 316 E HA 0.094 4.444 4.350 -0.000 0.000 0.195 316 E C 0.612 177.080 176.600 -0.220 0.000 1.012 316 E CA -0.108 56.205 56.400 -0.146 0.000 0.875 316 E CB 0.774 30.424 29.700 -0.083 0.000 0.859 316 E HN 0.216 nan 8.360 nan 0.000 0.498 317 I N 3.063 123.363 120.570 -0.449 0.000 2.741 317 I HA -0.076 4.094 4.170 -0.000 0.000 0.288 317 I C 0.446 176.519 176.117 -0.073 0.000 1.192 317 I CA 0.444 61.408 61.300 -0.560 0.000 1.426 317 I CB -0.505 37.157 38.000 -0.563 0.000 1.367 317 I HN -0.109 nan 8.210 nan 0.000 0.563 318 N N 5.632 124.374 118.700 0.070 0.000 2.448 318 N HA 0.083 4.823 4.740 -0.000 0.000 0.279 318 N C 0.393 175.986 175.510 0.139 0.000 1.025 318 N CA -0.529 52.611 53.050 0.150 0.000 0.898 318 N CB 0.756 39.300 38.487 0.096 0.000 1.303 318 N HN 0.421 nan 8.380 nan 0.000 0.495 319 Y N 3.161 123.459 120.300 -0.003 0.000 2.298 319 Y HA -0.119 4.431 4.550 -0.000 0.000 0.287 319 Y C 1.284 177.051 175.900 -0.221 0.000 1.164 319 Y CA 1.798 59.644 58.100 -0.423 0.000 1.229 319 Y CB 0.298 38.579 38.460 -0.299 0.000 0.977 319 Y HN 0.589 nan 8.280 nan 0.000 0.538 320 E N 0.020 120.099 120.200 -0.200 0.000 2.409 320 E HA -0.154 4.196 4.350 -0.000 0.000 0.198 320 E C 1.414 177.880 176.600 -0.224 0.000 1.024 320 E CA 1.009 57.264 56.400 -0.240 0.000 0.861 320 E CB -0.178 29.470 29.700 -0.087 0.000 0.788 320 E HN 0.655 nan 8.360 nan 0.000 0.521 321 D N 0.116 120.401 120.400 -0.191 0.000 2.144 321 D HA -0.121 4.518 4.640 -0.000 0.000 0.200 321 D C 1.451 177.562 176.300 -0.315 0.000 0.978 321 D CA 0.995 54.873 54.000 -0.203 0.000 0.833 321 D CB -0.133 40.592 40.800 -0.126 0.000 0.961 321 D HN 0.356 nan 8.370 nan 0.000 0.470 322 H N -0.217 118.727 119.070 -0.210 0.000 2.586 322 H HA 0.176 4.731 4.556 -0.000 0.000 0.273 322 H C 1.687 176.860 175.328 -0.258 0.000 0.997 322 H CA 0.049 55.986 56.048 -0.186 0.000 1.177 322 H CB 0.693 30.347 29.762 -0.179 0.000 1.471 322 H HN 0.118 nan 8.280 nan 0.000 0.538 323 K N 0.718 120.953 120.400 -0.275 0.000 2.209 323 K HA -0.121 4.199 4.320 -0.000 0.000 0.204 323 K C 1.913 178.442 176.600 -0.118 0.000 1.048 323 K CA 0.454 56.578 56.287 -0.271 0.000 0.940 323 K CB 0.120 32.440 32.500 -0.300 0.000 0.729 323 K HN 0.041 nan 8.250 nan 0.000 0.451 324 L N 1.280 122.456 121.223 -0.077 0.000 2.005 324 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 324 L C -0.085 176.787 176.870 0.004 0.000 1.072 324 L CA 1.843 56.665 54.840 -0.031 0.000 0.744 324 L CB -0.054 41.991 42.059 -0.023 0.000 0.895 324 L HN -0.071 nan 8.230 nan 0.000 0.433 325 K N -0.546 119.879 120.400 0.041 0.000 2.464 325 K HA 0.303 4.623 4.320 -0.000 0.000 0.252 325 K C 0.271 176.901 176.600 0.049 0.000 1.000 325 K CA 0.413 56.742 56.287 0.071 0.000 0.951 325 K CB 0.984 33.583 32.500 0.164 0.000 1.183 325 K HN 0.126 nan 8.250 nan 0.000 0.445 326 S N 0.186 115.889 115.700 0.005 0.000 2.574 326 S HA 0.129 4.599 4.470 -0.000 0.000 0.242 326 S C 0.881 175.461 174.600 -0.034 0.000 0.982 326 S CA -0.755 57.434 58.200 -0.018 0.000 0.977 326 S CB 0.491 63.681 63.200 -0.017 0.000 0.814 326 S HN 0.593 nan 8.310 nan 0.000 0.464 327 G N 0.975 109.750 108.800 -0.041 0.000 2.588 327 G HA2 0.468 4.428 3.960 -0.000 0.000 0.278 327 G HA3 0.468 4.428 3.960 -0.000 0.000 0.278 327 G C -0.656 174.199 174.900 -0.076 0.000 1.307 327 G CA -0.458 44.612 45.100 -0.050 0.000 1.016 327 G HN 0.301 nan 8.290 nan 0.000 0.503 328 T N 0.901 115.431 114.554 -0.039 0.000 3.141 328 T HA 0.221 4.571 4.350 -0.000 0.000 0.377 328 T C -0.100 174.657 174.700 0.095 0.000 1.258 328 T CA -0.546 61.546 62.100 -0.013 0.000 1.263 328 T CB 0.477 69.354 68.868 0.016 0.000 1.066 328 T HN 0.432 nan 8.240 nan 0.000 0.546 329 N N 1.909 120.685 118.700 0.128 0.000 3.228 329 N HA 0.128 4.868 4.740 -0.000 0.000 0.289 329 N C 1.169 176.815 175.510 0.228 0.000 1.419 329 N CA -0.301 52.829 53.050 0.133 0.000 1.088 329 N CB 0.511 39.007 38.487 0.015 0.000 1.357 329 N HN 0.324 nan 8.380 nan 0.000 0.504 330 T N 0.218 114.945 114.554 0.288 0.000 2.803 330 T HA -0.156 4.193 4.350 -0.000 0.000 0.269 330 T C 1.695 176.358 174.700 -0.063 0.000 1.052 330 T CA 1.071 63.268 62.100 0.161 0.000 1.136 330 T CB 0.216 69.196 68.868 0.186 0.000 0.864 330 T HN 0.457 nan 8.240 nan 0.000 0.467 331 K N 1.151 121.520 120.400 -0.052 0.000 2.032 331 K HA -0.162 4.158 4.320 -0.000 0.000 0.209 331 K C 2.305 178.865 176.600 -0.066 0.000 1.048 331 K CA 1.401 57.637 56.287 -0.085 0.000 0.927 331 K CB -0.098 32.348 32.500 -0.090 0.000 0.712 331 K HN 0.234 nan 8.250 nan 0.000 0.441 332 K N -0.061 120.324 120.400 -0.025 0.000 2.032 332 K HA -0.154 4.165 4.320 -0.000 0.000 0.209 332 K C 2.155 178.752 176.600 -0.006 0.000 1.048 332 K CA 1.389 57.680 56.287 0.007 0.000 0.927 332 K CB -0.222 32.312 32.500 0.057 0.000 0.712 332 K HN 0.236 nan 8.250 nan 0.000 0.441 333 A N 1.256 124.035 122.820 -0.068 0.000 1.940 333 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 333 A C 2.032 179.538 177.584 -0.129 0.000 1.176 333 A CA 1.408 53.346 52.037 -0.165 0.000 0.631 333 A CB -0.585 17.989 19.000 -0.710 0.000 0.814 333 A HN 0.214 nan 8.150 nan 0.000 0.446 334 L N -1.570 119.569 121.223 -0.141 0.000 2.313 334 L HA -0.080 4.260 4.340 -0.000 0.000 0.214 334 L C 2.635 179.489 176.870 -0.026 0.000 1.119 334 L CA 1.062 55.851 54.840 -0.085 0.000 0.809 334 L CB -0.338 41.665 42.059 -0.093 0.000 0.933 334 L HN 0.508 nan 8.230 nan 0.000 0.449 335 Q N -0.235 119.551 119.800 -0.024 0.000 2.389 335 Q HA -0.035 4.304 4.340 -0.000 0.000 0.204 335 Q C 2.243 178.285 176.000 0.070 0.000 0.944 335 Q CA 0.887 56.690 55.803 0.000 0.000 0.908 335 Q CB 0.198 28.904 28.738 -0.053 0.000 1.002 335 Q HN 0.503 nan 8.270 nan 0.000 0.493 336 A N -0.374 122.484 122.820 0.063 0.000 1.855 336 A HA -0.123 4.197 4.320 -0.000 0.000 0.215 336 A C 2.116 179.767 177.584 0.111 0.000 1.191 336 A CA 1.273 53.368 52.037 0.097 0.000 0.613 336 A CB -0.766 18.298 19.000 0.108 0.000 0.829 336 A HN 0.246 nan 8.150 nan 0.000 0.442 337 V N -1.129 118.830 119.914 0.076 0.000 2.324 337 V HA -0.337 3.782 4.120 -0.000 0.000 0.250 337 V C 2.375 178.447 176.094 -0.037 0.000 1.060 337 V CA 2.332 64.641 62.300 0.014 0.000 1.042 337 V CB -1.086 30.668 31.823 -0.115 0.000 0.650 337 V HN 0.715 nan 8.190 nan 0.000 0.450 338 Y N 1.056 121.285 120.300 -0.119 0.000 2.165 338 Y HA -0.284 4.266 4.550 -0.000 0.000 0.286 338 Y C 2.739 178.584 175.900 -0.092 0.000 1.155 338 Y CA 2.005 60.023 58.100 -0.137 0.000 1.164 338 Y CB -0.179 38.203 38.460 -0.131 0.000 0.978 338 Y HN 0.228 nan 8.280 nan 0.000 0.513 339 S N 0.502 116.299 115.700 0.161 0.000 2.353 339 S HA -0.273 4.196 4.470 -0.000 0.000 0.222 339 S C 1.927 176.554 174.600 0.044 0.000 1.035 339 S CA 1.958 60.222 58.200 0.107 0.000 1.025 339 S CB -0.450 62.824 63.200 0.124 0.000 0.902 339 S HN 0.517 nan 8.310 nan 0.000 0.440 340 M N 0.468 120.130 119.600 0.103 0.000 2.202 340 M HA -0.096 4.384 4.480 -0.000 0.000 0.262 340 M C 2.239 178.649 176.300 0.184 0.000 1.063 340 M CA 1.366 56.775 55.300 0.182 0.000 1.097 340 M CB -0.477 32.310 32.600 0.311 0.000 1.382 340 M HN 0.302 nan 8.290 nan 0.000 0.413 341 M N -0.306 119.320 119.600 0.043 0.000 2.200 341 M HA -0.069 4.410 4.480 -0.000 0.000 0.265 341 M C 1.540 177.800 176.300 -0.067 0.000 1.066 341 M CA 0.921 56.223 55.300 0.004 0.000 1.127 341 M CB -0.217 32.186 32.600 -0.329 0.000 1.379 341 M HN 0.335 nan 8.290 nan 0.000 0.420 342 S N -0.490 114.997 115.700 -0.355 0.000 2.607 342 S HA 0.376 4.846 4.470 -0.000 0.000 0.272 342 S C -0.863 173.683 174.600 -0.090 0.000 1.166 342 S CA -0.742 57.038 58.200 -0.700 0.000 1.021 342 S CB 0.486 63.185 63.200 -0.834 0.000 1.113 342 S HN 0.453 nan 8.310 nan 0.000 0.531 343 W N -3.344 117.898 121.300 -0.097 0.000 3.707 343 W HA 0.532 5.192 4.660 -0.000 0.000 0.294 343 W C -3.445 173.043 176.519 -0.052 0.000 1.248 343 W CA -2.192 55.117 57.345 -0.058 0.000 1.217 343 W CB -0.487 28.930 29.460 -0.071 0.000 1.306 343 W HN 0.390 nan 8.180 nan 0.000 0.532 344 P HA -0.135 nan 4.420 nan 0.000 0.169 344 P C 0.579 177.906 177.300 0.046 0.000 0.959 344 P CA 1.714 64.850 63.100 0.060 0.000 1.293 344 P CB -0.162 31.583 31.700 0.076 0.000 1.566 345 D N 0.236 120.611 120.400 -0.041 0.000 4.581 345 D HA -0.278 4.362 4.640 -0.000 0.000 0.261 345 D C 0.602 176.933 176.300 0.052 0.000 0.490 345 D CA 2.335 56.306 54.000 -0.050 0.000 1.265 345 D CB -1.082 39.709 40.800 -0.014 0.000 0.776 345 D HN 0.371 nan 8.370 nan 0.000 0.351 346 D N -1.527 118.926 120.400 0.088 0.000 2.481 346 D HA 0.414 5.054 4.640 -0.000 0.000 0.283 346 D C -0.074 176.308 176.300 0.136 0.000 1.192 346 D CA 0.845 54.912 54.000 0.112 0.000 1.100 346 D CB 0.617 41.445 40.800 0.047 0.000 1.166 346 D HN 0.450 nan 8.370 nan 0.000 0.584 347 V N 0.105 120.049 119.914 0.050 0.000 6.016 347 V HA -0.136 3.984 4.120 -0.000 0.000 0.265 347 V C -2.488 173.571 176.094 -0.059 0.000 0.621 347 V CA 0.072 62.378 62.300 0.011 0.000 0.592 347 V CB -1.300 30.540 31.823 0.030 0.000 0.298 347 V HN 0.383 nan 8.190 nan 0.000 0.615 348 P HA 0.480 nan 4.420 nan 0.000 0.287 348 P C -2.269 174.800 177.300 -0.385 0.000 1.281 348 P CA -1.288 61.457 63.100 -0.592 0.000 0.781 348 P CB 0.605 31.899 31.700 -0.676 0.000 0.903 349 P HA 0.109 nan 4.420 nan 0.000 0.269 349 P C -0.164 177.099 177.300 -0.062 0.000 1.215 349 P CA -0.101 62.878 63.100 -0.202 0.000 0.780 349 P CB 0.400 31.971 31.700 -0.216 0.000 0.898 350 E N 1.007 121.184 120.200 -0.038 0.000 2.392 350 E HA 0.352 4.702 4.350 -0.000 0.000 0.264 350 E C 1.077 177.640 176.600 -0.062 0.000 1.024 350 E CA 0.961 57.344 56.400 -0.029 0.000 0.903 350 E CB -0.452 29.224 29.700 -0.039 0.000 0.963 350 E HN 0.701 nan 8.360 nan 0.000 0.432 351 G N 4.685 113.405 108.800 -0.133 0.000 2.147 351 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.244 351 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.244 351 G C 0.774 175.569 174.900 -0.175 0.000 1.005 351 G CA 0.564 45.556 45.100 -0.179 0.000 0.713 351 G HN 0.705 nan 8.290 nan 0.000 0.515 352 W N 1.234 122.402 121.300 -0.220 0.000 2.409 352 W HA -0.044 4.616 4.660 -0.000 0.000 0.299 352 W C 1.145 177.588 176.519 -0.126 0.000 1.203 352 W CA 1.231 58.421 57.345 -0.259 0.000 1.298 352 W CB -0.819 28.288 29.460 -0.588 0.000 1.127 352 W HN 0.511 nan 8.180 nan 0.000 0.528 353 N N 1.136 118.955 118.700 -1.468 0.000 2.410 353 N HA -0.013 4.726 4.740 -0.000 0.000 0.231 353 N C 1.072 176.090 175.510 -0.820 0.000 1.172 353 N CA 0.154 52.326 53.050 -1.464 0.000 0.849 353 N CB -0.456 36.743 38.487 -2.146 0.000 1.116 353 N HN 0.420 nan 8.380 nan 0.000 0.485 354 R N -1.310 118.915 120.500 -0.457 0.000 2.544 354 R HA 0.184 4.524 4.340 -0.000 0.000 0.303 354 R C -0.585 175.707 176.300 -0.013 0.000 0.939 354 R CA -0.020 55.961 56.100 -0.199 0.000 1.102 354 R CB 0.565 30.762 30.300 -0.171 0.000 1.440 354 R HN 0.028 nan 8.270 nan 0.000 0.532 355 T N 1.152 115.692 114.554 -0.023 0.000 2.806 355 T HA 0.270 4.620 4.350 -0.000 0.000 0.290 355 T C -0.715 174.015 174.700 0.051 0.000 0.966 355 T CA -0.333 61.763 62.100 -0.007 0.000 1.060 355 T CB 1.407 70.241 68.868 -0.057 0.000 0.927 355 T HN 0.106 nan 8.240 nan 0.000 0.485 356 R N 2.966 123.481 120.500 0.026 0.000 2.255 356 R HA 0.235 4.575 4.340 -0.000 0.000 0.326 356 R C -0.701 175.599 176.300 -0.000 0.000 0.986 356 R CA -0.584 55.594 56.100 0.130 0.000 0.847 356 R CB 0.398 30.760 30.300 0.103 0.000 1.111 356 R HN 0.702 nan 8.270 nan 0.000 0.452 357 H N 3.593 122.852 119.070 0.316 0.000 2.488 357 H HA 0.283 4.839 4.556 -0.000 0.000 0.322 357 H C -0.748 174.804 175.328 0.374 0.000 1.078 357 H CA -0.632 55.651 56.048 0.391 0.000 1.260 357 H CB 1.967 31.964 29.762 0.392 0.000 1.425 357 H HN 0.224 nan 8.280 nan 0.000 0.471 358 V N 6.337 126.569 119.914 0.531 0.000 2.409 358 V HA 0.226 4.345 4.120 -0.000 0.000 0.290 358 V C 0.210 176.663 176.094 0.597 0.000 1.017 358 V CA -0.529 62.079 62.300 0.512 0.000 0.841 358 V CB 1.444 33.530 31.823 0.439 0.000 1.003 358 V HN 0.598 nan 8.190 nan 0.000 0.426 359 I N 5.827 126.722 120.570 0.541 0.000 2.331 359 I HA 0.414 4.584 4.170 -0.000 0.000 0.292 359 I C -0.578 175.853 176.117 0.522 0.000 0.998 359 I CA -0.501 61.090 61.300 0.486 0.000 1.267 359 I CB 1.449 39.621 38.000 0.287 0.000 1.386 359 I HN 0.332 nan 8.210 nan 0.000 0.476 360 I N 7.581 128.436 120.570 0.473 0.000 2.337 360 I HA 0.254 4.424 4.170 -0.000 0.000 0.285 360 I C -0.393 175.946 176.117 0.371 0.000 1.041 360 I CA -0.604 60.979 61.300 0.471 0.000 1.199 360 I CB 0.889 39.109 38.000 0.366 0.000 1.370 360 I HN 0.329 nan 8.210 nan 0.000 0.470 361 L N 8.074 129.529 121.223 0.387 0.000 2.296 361 L HA 0.568 4.908 4.340 -0.000 0.000 0.286 361 L C -0.510 176.571 176.870 0.351 0.000 1.023 361 L CA -0.214 54.807 54.840 0.302 0.000 0.812 361 L CB 1.293 43.487 42.059 0.226 0.000 1.223 361 L HN 0.430 nan 8.230 nan 0.000 0.421 362 M N 5.411 125.191 119.600 0.300 0.000 2.006 362 M HA 0.378 4.857 4.480 -0.000 0.000 0.314 362 M C -0.401 176.052 176.300 0.256 0.000 0.926 362 M CA -0.161 55.306 55.300 0.279 0.000 0.906 362 M CB 1.467 34.163 32.600 0.161 0.000 1.422 362 M HN 0.729 nan 8.290 nan 0.000 0.397 363 T N -0.571 114.131 114.554 0.247 0.000 2.868 363 T HA 0.297 4.646 4.350 -0.000 0.000 0.306 363 T C -0.034 174.768 174.700 0.170 0.000 1.224 363 T CA -0.631 61.600 62.100 0.220 0.000 1.012 363 T CB 1.358 70.396 68.868 0.283 0.000 1.221 363 T HN 0.741 nan 8.240 nan 0.000 0.499 364 D N 0.740 121.218 120.400 0.131 0.000 2.349 364 D HA 0.222 4.862 4.640 -0.000 0.000 0.224 364 D C 1.444 177.806 176.300 0.103 0.000 1.029 364 D CA 0.817 54.881 54.000 0.107 0.000 0.879 364 D CB -0.511 40.335 40.800 0.077 0.000 0.906 364 D HN 1.179 nan 8.370 nan 0.000 0.528 365 G N 0.357 109.235 108.800 0.131 0.000 2.198 365 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.257 365 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.257 365 G C 0.094 175.047 174.900 0.089 0.000 1.042 365 G CA 0.264 45.447 45.100 0.140 0.000 0.791 365 G HN 0.435 nan 8.290 nan 0.000 0.502 366 L N 2.504 123.765 121.223 0.062 0.000 2.959 366 L HA 0.274 4.614 4.340 -0.000 0.000 0.236 366 L C 1.326 178.174 176.870 -0.037 0.000 1.296 366 L CA -1.077 53.744 54.840 -0.032 0.000 1.047 366 L CB -0.159 41.892 42.059 -0.014 0.000 1.395 366 L HN 0.527 nan 8.230 nan 0.000 0.492 367 H N 0.028 119.132 119.070 0.056 0.000 2.897 367 H HA 0.095 4.651 4.556 -0.000 0.000 0.347 367 H C -0.332 175.014 175.328 0.030 0.000 1.068 367 H CA -0.014 56.067 56.048 0.055 0.000 1.426 367 H CB 0.812 30.614 29.762 0.066 0.000 1.410 367 H HN 0.464 nan 8.280 nan 0.000 0.597 368 N N 2.150 120.926 118.700 0.126 0.000 2.082 368 N HA 0.154 4.894 4.740 -0.000 0.000 0.228 368 N C -0.556 174.998 175.510 0.073 0.000 1.341 368 N CA -0.243 52.844 53.050 0.062 0.000 0.873 368 N CB 0.836 39.329 38.487 0.010 0.000 1.137 368 N HN 0.499 nan 8.380 nan 0.000 0.505 369 M N -0.731 118.925 119.600 0.094 0.000 2.501 369 M HA 0.571 5.051 4.480 -0.000 0.000 0.293 369 M C 0.246 176.569 176.300 0.038 0.000 1.192 369 M CA -0.519 54.805 55.300 0.041 0.000 0.886 369 M CB 2.667 35.258 32.600 -0.014 0.000 1.710 369 M HN 0.122 nan 8.290 nan 0.000 0.457 370 G N 0.938 109.743 108.800 0.008 0.000 2.179 370 G HA2 -0.019 3.940 3.960 -0.000 0.000 0.260 370 G HA3 -0.019 3.940 3.960 -0.000 0.000 0.260 370 G C 0.522 175.402 174.900 -0.033 0.000 0.977 370 G CA 0.331 45.421 45.100 -0.017 0.000 0.641 370 G HN 1.641 nan 8.290 nan 0.000 0.533 371 G N -0.192 108.608 108.800 -0.001 0.000 2.601 371 G HA2 0.039 3.999 3.960 -0.000 0.000 0.252 371 G HA3 0.039 3.999 3.960 -0.000 0.000 0.252 371 G C -0.233 174.556 174.900 -0.185 0.000 1.294 371 G CA 0.830 45.919 45.100 -0.019 0.000 0.912 371 G HN 1.459 nan 8.290 nan 0.000 0.574 372 D N 1.195 121.496 120.400 -0.166 0.000 2.401 372 D HA 0.429 5.069 4.640 -0.000 0.000 0.254 372 D C -0.525 175.626 176.300 -0.248 0.000 1.192 372 D CA -1.458 52.385 54.000 -0.261 0.000 0.885 372 D CB 1.090 41.833 40.800 -0.096 0.000 1.147 372 D HN 0.046 nan 8.370 nan 0.000 0.478 373 P HA -0.067 nan 4.420 nan 0.000 0.220 373 P C 1.587 178.816 177.300 -0.118 0.000 1.148 373 P CA 0.695 63.681 63.100 -0.190 0.000 0.803 373 P CB 0.198 31.799 31.700 -0.166 0.000 0.782 374 I N -0.165 120.345 120.570 -0.100 0.000 2.194 374 I HA -0.326 3.844 4.170 -0.000 0.000 0.246 374 I C 2.318 178.395 176.117 -0.067 0.000 1.093 374 I CA 2.239 63.501 61.300 -0.064 0.000 1.355 374 I CB -1.496 36.476 38.000 -0.046 0.000 1.046 374 I HN 0.123 nan 8.210 nan 0.000 0.413 375 T N -1.172 113.336 114.554 -0.078 0.000 2.685 375 T HA -0.213 4.137 4.350 -0.000 0.000 0.268 375 T C 1.791 176.435 174.700 -0.093 0.000 1.034 375 T CA 1.737 63.788 62.100 -0.081 0.000 1.149 375 T CB -1.117 67.698 68.868 -0.088 0.000 0.860 375 T HN 0.202 nan 8.240 nan 0.000 0.449 376 V N 1.379 121.234 119.914 -0.099 0.000 2.453 376 V HA -0.062 4.058 4.120 -0.000 0.000 0.247 376 V C 2.723 178.784 176.094 -0.055 0.000 1.048 376 V CA 1.023 63.261 62.300 -0.104 0.000 1.049 376 V CB -0.581 31.182 31.823 -0.101 0.000 0.672 376 V HN 0.460 nan 8.190 nan 0.000 0.457 377 I N 0.305 120.846 120.570 -0.047 0.000 2.163 377 I HA -0.231 3.939 4.170 -0.000 0.000 0.243 377 I C 2.314 178.416 176.117 -0.024 0.000 1.085 377 I CA 1.788 63.070 61.300 -0.030 0.000 1.347 377 I CB -1.310 36.670 38.000 -0.032 0.000 1.044 377 I HN 0.332 nan 8.210 nan 0.000 0.408 378 D N 0.916 121.294 120.400 -0.037 0.000 2.116 378 D HA -0.199 4.440 4.640 -0.000 0.000 0.193 378 D C 2.195 178.477 176.300 -0.030 0.000 0.998 378 D CA 1.268 55.246 54.000 -0.036 0.000 0.836 378 D CB -0.184 40.588 40.800 -0.047 0.000 0.951 378 D HN 0.417 nan 8.370 nan 0.000 0.449 379 E N -0.033 120.140 120.200 -0.045 0.000 2.058 379 E HA -0.146 4.204 4.350 -0.000 0.000 0.194 379 E C 2.394 179.064 176.600 0.115 0.000 0.997 379 E CA 0.515 56.894 56.400 -0.035 0.000 0.801 379 E CB -0.114 29.460 29.700 -0.209 0.000 0.746 379 E HN 0.326 nan 8.360 nan 0.000 0.450 380 I N 0.758 121.404 120.570 0.127 0.000 2.208 380 I HA -0.311 3.859 4.170 -0.000 0.000 0.245 380 I C 2.420 178.539 176.117 0.004 0.000 1.097 380 I CA 1.280 62.633 61.300 0.088 0.000 1.363 380 I CB -0.229 37.776 38.000 0.009 0.000 1.051 380 I HN 0.066 nan 8.210 nan 0.000 0.413 381 R N 0.297 120.803 120.500 0.011 0.000 2.115 381 R HA -0.135 4.205 4.340 -0.000 0.000 0.226 381 R C 1.820 178.126 176.300 0.010 0.000 1.100 381 R CA 1.265 57.373 56.100 0.015 0.000 0.980 381 R CB -0.313 29.990 30.300 0.004 0.000 0.875 381 R HN 0.295 nan 8.270 nan 0.000 0.445 382 D N 0.841 121.240 120.400 -0.003 0.000 2.104 382 D HA -0.170 4.470 4.640 -0.000 0.000 0.194 382 D C 1.692 177.994 176.300 0.004 0.000 0.994 382 D CA 0.935 54.925 54.000 -0.017 0.000 0.830 382 D CB -0.104 40.687 40.800 -0.014 0.000 0.959 382 D HN 0.017 nan 8.370 nan 0.000 0.452 383 L N 0.007 121.217 121.223 -0.023 0.000 2.093 383 L HA -0.024 4.316 4.340 -0.000 0.000 0.208 383 L C 1.722 178.564 176.870 -0.047 0.000 1.085 383 L CA 1.448 56.194 54.840 -0.156 0.000 0.755 383 L CB -0.167 41.660 42.059 -0.386 0.000 0.904 383 L HN 0.068 nan 8.230 nan 0.000 0.435 384 L N -1.990 119.272 121.223 0.065 0.000 2.558 384 L HA 0.001 4.341 4.340 -0.000 0.000 0.225 384 L C 0.285 177.421 176.870 0.443 0.000 1.128 384 L CA -0.046 54.954 54.840 0.267 0.000 0.868 384 L CB -0.214 41.948 42.059 0.172 0.000 1.006 384 L HN 0.273 nan 8.230 nan 0.000 0.454 385 Y N 0.788 121.188 120.300 0.168 0.000 3.178 385 Y HA -0.248 4.302 4.550 -0.000 0.000 0.200 385 Y C -0.143 175.852 175.900 0.158 0.000 1.427 385 Y CA -0.176 58.029 58.100 0.175 0.000 1.250 385 Y CB -1.357 37.275 38.460 0.287 0.000 1.421 385 Y HN 0.075 nan 8.280 nan 0.000 0.506 386 I N 0.814 121.456 120.570 0.120 0.000 2.354 386 I HA 0.469 4.639 4.170 -0.000 0.000 0.292 386 I C 1.285 177.412 176.117 0.018 0.000 0.989 386 I CA 0.073 61.441 61.300 0.114 0.000 1.188 386 I CB 1.444 39.523 38.000 0.132 0.000 1.342 386 I HN 0.480 nan 8.210 nan 0.000 0.457 387 G N 4.830 113.648 108.800 0.031 0.000 2.143 387 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.248 387 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.248 387 G C 0.747 175.613 174.900 -0.057 0.000 0.991 387 G CA 0.146 45.245 45.100 -0.002 0.000 0.689 387 G HN 0.711 nan 8.290 nan 0.000 0.522 388 K N -0.779 119.542 120.400 -0.133 0.000 2.370 388 K HA 0.125 4.445 4.320 -0.000 0.000 0.194 388 K C -0.084 176.440 176.600 -0.127 0.000 1.070 388 K CA 0.023 56.161 56.287 -0.248 0.000 0.998 388 K CB 0.680 32.798 32.500 -0.636 0.000 0.911 388 K HN 0.259 nan 8.250 nan 0.000 0.533 389 D N 1.332 121.741 120.400 0.015 0.000 2.414 389 D HA 0.131 4.770 4.640 -0.000 0.000 0.232 389 D C 0.656 177.009 176.300 0.089 0.000 1.070 389 D CA -0.262 53.812 54.000 0.123 0.000 0.839 389 D CB 1.293 42.263 40.800 0.285 0.000 1.079 389 D HN -0.130 nan 8.370 nan 0.000 0.521 390 R N 3.202 123.738 120.500 0.061 0.000 2.103 390 R HA -0.157 4.183 4.340 -0.000 0.000 0.242 390 R C 1.540 177.874 176.300 0.057 0.000 1.142 390 R CA 1.412 57.541 56.100 0.049 0.000 0.960 390 R CB 0.221 30.543 30.300 0.036 0.000 0.858 390 R HN 0.283 nan 8.270 nan 0.000 0.439 391 K N -0.440 120.001 120.400 0.067 0.000 2.288 391 K HA -0.116 4.204 4.320 -0.000 0.000 0.201 391 K C -0.220 176.423 176.600 0.071 0.000 1.048 391 K CA 1.054 57.379 56.287 0.062 0.000 0.956 391 K CB 0.149 32.685 32.500 0.062 0.000 0.746 391 K HN 0.047 nan 8.250 nan 0.000 0.461 392 N N -0.795 117.964 118.700 0.097 0.000 2.976 392 N HA 0.150 4.890 4.740 -0.000 0.000 0.220 392 N C -2.687 172.912 175.510 0.149 0.000 1.428 392 N CA -1.168 51.949 53.050 0.112 0.000 0.748 392 N CB 1.401 39.952 38.487 0.106 0.000 1.484 392 N HN -0.239 nan 8.380 nan 0.000 0.578 393 P HA 0.014 nan 4.420 nan 0.000 0.223 393 P C -0.226 177.175 177.300 0.168 0.000 1.151 393 P CA 0.560 63.733 63.100 0.120 0.000 0.787 393 P CB 0.184 31.933 31.700 0.082 0.000 0.788 394 R N -1.347 119.283 120.500 0.218 0.000 3.863 394 R HA -0.211 4.129 4.340 -0.000 0.000 0.313 394 R C 0.940 177.439 176.300 0.331 0.000 1.202 394 R CA 0.483 56.798 56.100 0.358 0.000 0.852 394 R CB -1.978 28.520 30.300 0.330 0.000 1.292 394 R HN 0.339 nan 8.270 nan 0.000 0.519 395 E N 0.712 121.018 120.200 0.177 0.000 2.265 395 E HA -0.172 4.178 4.350 -0.000 0.000 0.196 395 E C 1.037 177.688 176.600 0.085 0.000 0.996 395 E CA 1.030 57.499 56.400 0.115 0.000 0.832 395 E CB -0.009 29.723 29.700 0.054 0.000 0.756 395 E HN 0.413 nan 8.360 nan 0.000 0.491 396 D N -0.033 120.377 120.400 0.016 0.000 2.221 396 D HA -0.175 4.465 4.640 -0.000 0.000 0.204 396 D C 1.197 177.395 176.300 -0.169 0.000 0.982 396 D CA 1.021 54.925 54.000 -0.160 0.000 0.857 396 D CB -0.139 40.421 40.800 -0.400 0.000 0.934 396 D HN 0.376 nan 8.370 nan 0.000 0.475 397 Y N -0.314 120.056 120.300 0.118 0.000 2.490 397 Y HA 0.213 4.763 4.550 -0.000 0.000 0.281 397 Y C 0.583 176.624 175.900 0.235 0.000 1.174 397 Y CA -0.232 57.968 58.100 0.168 0.000 1.295 397 Y CB 0.433 39.008 38.460 0.192 0.000 1.062 397 Y HN -0.124 nan 8.280 nan 0.000 0.522 398 L N 0.550 121.942 121.223 0.281 0.000 2.439 398 L HA 0.512 4.851 4.340 -0.000 0.000 0.270 398 L C -1.673 175.286 176.870 0.149 0.000 0.972 398 L CA -0.532 54.455 54.840 0.244 0.000 0.836 398 L CB 1.534 43.704 42.059 0.186 0.000 1.255 398 L HN -0.163 nan 8.230 nan 0.000 0.404 399 D N 4.556 125.073 120.400 0.195 0.000 2.593 399 D HA 0.443 5.083 4.640 -0.000 0.000 0.251 399 D C -1.044 175.333 176.300 0.128 0.000 1.140 399 D CA -0.094 53.978 54.000 0.120 0.000 0.855 399 D CB 2.791 43.770 40.800 0.299 0.000 1.267 399 D HN 0.275 nan 8.370 nan 0.000 0.532 400 V N 3.557 123.446 119.914 -0.042 0.000 2.370 400 V HA 0.318 4.438 4.120 -0.000 0.000 0.283 400 V C -0.776 175.311 176.094 -0.012 0.000 1.023 400 V CA -0.604 61.728 62.300 0.054 0.000 0.857 400 V CB 0.526 32.359 31.823 0.017 0.000 0.985 400 V HN 0.375 nan 8.190 nan 0.000 0.443 401 Y N 3.086 123.582 120.300 0.326 0.000 2.377 401 Y HA 0.720 5.270 4.550 -0.000 0.000 0.339 401 Y C -0.009 175.995 175.900 0.174 0.000 1.011 401 Y CA -0.907 57.364 58.100 0.284 0.000 1.093 401 Y CB 2.200 40.945 38.460 0.474 0.000 1.201 401 Y HN 0.356 nan 8.280 nan 0.000 0.455 402 V N 4.250 124.240 119.914 0.128 0.000 2.588 402 V HA 0.430 4.550 4.120 -0.000 0.000 0.304 402 V C -1.048 175.036 176.094 -0.016 0.000 1.042 402 V CA -1.201 61.174 62.300 0.126 0.000 0.877 402 V CB 1.496 33.379 31.823 0.099 0.000 0.996 402 V HN 0.513 nan 8.190 nan 0.000 0.425 403 F N 2.019 122.123 119.950 0.258 0.000 2.444 403 F HA 0.731 5.258 4.527 -0.000 0.000 0.342 403 F C 0.871 176.774 175.800 0.172 0.000 1.121 403 F CA -0.543 57.602 58.000 0.241 0.000 0.997 403 F CB 2.011 41.122 39.000 0.185 0.000 1.130 403 F HN 0.572 nan 8.300 nan 0.000 0.454 404 G N 1.806 110.788 108.800 0.304 0.000 2.332 404 G HA2 0.442 4.402 3.960 -0.000 0.000 0.310 404 G HA3 0.442 4.402 3.960 -0.000 0.000 0.310 404 G C 0.806 175.819 174.900 0.189 0.000 1.123 404 G CA -0.547 44.681 45.100 0.213 0.000 0.873 404 G HN 0.734 nan 8.290 nan 0.000 0.460 405 V N 2.355 122.356 119.914 0.146 0.000 2.220 405 V HA 0.311 4.431 4.120 -0.000 0.000 0.246 405 V C 1.346 177.488 176.094 0.080 0.000 1.049 405 V CA 2.233 64.593 62.300 0.099 0.000 1.003 405 V CB -1.111 30.755 31.823 0.072 0.000 0.634 405 V HN 1.083 nan 8.190 nan 0.000 0.444 406 G N -1.082 107.779 108.800 0.101 0.000 2.894 406 G HA2 0.453 4.413 3.960 -0.000 0.000 0.164 406 G HA3 0.453 4.413 3.960 -0.000 0.000 0.164 406 G C -2.662 172.362 174.900 0.207 0.000 1.180 406 G CA 0.223 45.382 45.100 0.099 0.000 0.997 406 G HN 0.224 nan 8.290 nan 0.000 0.572 407 P HA 0.189 nan 4.420 nan 0.000 0.242 407 P C 0.720 178.110 177.300 0.151 0.000 1.197 407 P CA 0.427 63.680 63.100 0.254 0.000 0.765 407 P CB 0.309 32.136 31.700 0.212 0.000 0.936 408 L N -1.387 119.906 121.223 0.117 0.000 3.122 408 L HA 0.236 4.576 4.340 -0.000 0.000 0.274 408 L C -0.168 176.744 176.870 0.069 0.000 1.222 408 L CA -0.413 54.475 54.840 0.080 0.000 1.028 408 L CB 0.021 42.119 42.059 0.065 0.000 1.386 408 L HN -0.355 nan 8.230 nan 0.000 0.578 409 V N 1.571 121.536 119.914 0.085 0.000 2.614 409 V HA 0.138 4.258 4.120 -0.000 0.000 0.291 409 V C 0.778 176.900 176.094 0.046 0.000 1.049 409 V CA -0.375 61.970 62.300 0.076 0.000 1.038 409 V CB 1.031 32.915 31.823 0.101 0.000 0.980 409 V HN 0.373 nan 8.190 nan 0.000 0.481 410 N N 4.071 122.794 118.700 0.038 0.000 2.719 410 N HA 0.130 4.869 4.740 -0.000 0.000 0.243 410 N C 0.947 176.471 175.510 0.022 0.000 1.104 410 N CA 0.051 53.112 53.050 0.018 0.000 0.981 410 N CB 0.954 39.442 38.487 0.001 0.000 1.290 410 N HN 0.704 nan 8.380 nan 0.000 0.513 411 Q N 1.183 120.988 119.800 0.008 0.000 2.135 411 Q HA -0.109 4.231 4.340 -0.000 0.000 0.204 411 Q C 1.671 177.671 176.000 -0.000 0.000 0.981 411 Q CA 1.244 57.047 55.803 0.000 0.000 0.856 411 Q CB 0.335 29.056 28.738 -0.027 0.000 0.902 411 Q HN 0.470 nan 8.270 nan 0.000 0.425 412 V N 1.740 121.654 119.914 0.001 0.000 2.324 412 V HA -0.323 3.796 4.120 -0.000 0.000 0.250 412 V C 1.709 177.817 176.094 0.023 0.000 1.060 412 V CA 2.002 64.306 62.300 0.007 0.000 1.042 412 V CB -0.519 31.309 31.823 0.009 0.000 0.650 412 V HN 0.429 nan 8.190 nan 0.000 0.450 413 N N 0.263 118.988 118.700 0.043 0.000 2.250 413 N HA 0.003 4.743 4.740 -0.000 0.000 0.181 413 N C 1.740 177.294 175.510 0.073 0.000 1.017 413 N CA 1.612 54.711 53.050 0.081 0.000 0.866 413 N CB -0.301 38.262 38.487 0.127 0.000 0.985 413 N HN 0.716 nan 8.380 nan 0.000 0.429 414 I N -1.656 118.950 120.570 0.060 0.000 3.176 414 I HA 0.061 4.230 4.170 -0.000 0.000 0.275 414 I C 1.561 177.684 176.117 0.011 0.000 1.298 414 I CA 1.019 62.352 61.300 0.055 0.000 1.445 414 I CB -0.178 37.862 38.000 0.067 0.000 1.075 414 I HN -0.126 nan 8.210 nan 0.000 0.482 415 N N 1.852 120.550 118.700 -0.004 0.000 2.402 415 N HA 0.098 4.837 4.740 -0.000 0.000 0.174 415 N C 1.899 177.392 175.510 -0.028 0.000 1.027 415 N CA 1.176 54.206 53.050 -0.034 0.000 0.891 415 N CB 0.051 38.514 38.487 -0.040 0.000 1.016 415 N HN 0.380 nan 8.380 nan 0.000 0.439 416 A N 0.497 123.315 122.820 -0.005 0.000 1.969 416 A HA 0.021 4.341 4.320 -0.000 0.000 0.218 416 A C 2.117 179.692 177.584 -0.015 0.000 1.169 416 A CA 0.833 52.867 52.037 -0.006 0.000 0.635 416 A CB -0.610 18.398 19.000 0.013 0.000 0.810 416 A HN 0.340 nan 8.150 nan 0.000 0.445 417 L N -0.577 120.645 121.223 -0.002 0.000 2.044 417 L HA 0.044 4.384 4.340 -0.000 0.000 0.205 417 L C 1.837 178.694 176.870 -0.022 0.000 1.075 417 L CA 0.320 55.158 54.840 -0.003 0.000 0.747 417 L CB -0.749 41.326 42.059 0.027 0.000 0.903 417 L HN 0.387 nan 8.230 nan 0.000 0.435 418 A N 0.087 122.889 122.820 -0.030 0.000 2.507 418 A HA 0.134 4.454 4.320 -0.000 0.000 0.235 418 A C 0.551 178.049 177.584 -0.142 0.000 1.070 418 A CA -0.010 51.986 52.037 -0.068 0.000 0.768 418 A CB 0.078 19.031 19.000 -0.079 0.000 1.011 418 A HN 0.224 nan 8.150 nan 0.000 0.502 419 S N 0.990 116.528 115.700 -0.270 0.000 2.576 419 S HA 0.298 4.768 4.470 -0.000 0.000 0.276 419 S C -0.016 174.322 174.600 -0.436 0.000 1.339 419 S CA -0.273 57.663 58.200 -0.441 0.000 1.039 419 S CB 0.343 63.073 63.200 -0.784 0.000 0.902 419 S HN 0.511 nan 8.310 nan 0.000 0.516 420 K N 3.406 123.626 120.400 -0.300 0.000 2.530 420 K HA 0.351 4.670 4.320 -0.000 0.000 0.230 420 K C -0.878 175.626 176.600 -0.160 0.000 1.002 420 K CA -0.315 55.858 56.287 -0.190 0.000 1.014 420 K CB 0.948 33.385 32.500 -0.105 0.000 1.286 420 K HN 0.440 nan 8.250 nan 0.000 0.480 421 K N 0.986 121.289 120.400 -0.162 0.000 2.207 421 K HA 0.198 4.518 4.320 -0.000 0.000 0.255 421 K C -0.535 176.067 176.600 0.003 0.000 0.941 421 K CA -0.989 55.257 56.287 -0.068 0.000 0.825 421 K CB 1.655 34.121 32.500 -0.058 0.000 1.119 421 K HN 0.284 nan 8.250 nan 0.000 0.430 422 D N 2.054 122.463 120.400 0.015 0.000 2.533 422 D HA -0.099 4.540 4.640 -0.000 0.000 0.236 422 D C 0.515 176.834 176.300 0.032 0.000 1.137 422 D CA 1.186 55.201 54.000 0.026 0.000 0.867 422 D CB 0.239 41.062 40.800 0.038 0.000 1.170 422 D HN 0.597 nan 8.370 nan 0.000 0.474 423 N N 1.763 120.475 118.700 0.020 0.000 2.741 423 N HA -0.229 4.511 4.740 -0.000 0.000 0.251 423 N C -0.933 174.604 175.510 0.045 0.000 1.112 423 N CA 1.229 54.292 53.050 0.022 0.000 0.750 423 N CB -0.541 37.958 38.487 0.020 0.000 1.119 423 N HN 0.669 nan 8.380 nan 0.000 0.561 424 E N -0.421 119.822 120.200 0.071 0.000 2.393 424 E HA 0.475 4.824 4.350 -0.000 0.000 0.265 424 E C -0.537 176.132 176.600 0.115 0.000 0.941 424 E CA -0.728 55.740 56.400 0.112 0.000 0.801 424 E CB 1.683 31.504 29.700 0.202 0.000 1.313 424 E HN 0.203 nan 8.360 nan 0.000 0.435 425 Q N 0.734 120.594 119.800 0.099 0.000 2.263 425 Q HA 0.244 4.584 4.340 -0.000 0.000 0.266 425 Q C -0.852 175.054 176.000 -0.156 0.000 1.002 425 Q CA -0.313 55.491 55.803 0.003 0.000 0.790 425 Q CB 1.009 29.729 28.738 -0.031 0.000 1.272 425 Q HN 0.725 nan 8.270 nan 0.000 0.435 426 H N 1.998 120.871 119.070 -0.329 0.000 2.893 426 H HA 0.213 4.769 4.556 -0.000 0.000 0.270 426 H C -0.401 174.571 175.328 -0.593 0.000 1.095 426 H CA 0.191 56.031 56.048 -0.347 0.000 1.186 426 H CB 1.929 31.472 29.762 -0.365 0.000 1.562 426 H HN 0.280 nan 8.280 nan 0.000 0.536 427 V N 1.283 120.756 119.914 -0.735 0.000 2.487 427 V HA 0.419 4.539 4.120 -0.000 0.000 0.298 427 V C -1.687 173.895 176.094 -0.854 0.000 1.028 427 V CA -0.560 61.365 62.300 -0.625 0.000 0.860 427 V CB 1.239 32.901 31.823 -0.268 0.000 0.991 427 V HN 0.036 nan 8.190 nan 0.000 0.427 428 F N 5.048 124.910 119.950 -0.146 0.000 2.540 428 F HA 0.667 5.194 4.527 -0.000 0.000 0.317 428 F C -0.122 175.691 175.800 0.021 0.000 1.104 428 F CA -0.762 57.192 58.000 -0.077 0.000 0.913 428 F CB 2.062 40.983 39.000 -0.132 0.000 1.170 428 F HN 0.449 nan 8.300 nan 0.000 0.450 429 K N 2.484 123.023 120.400 0.232 0.000 2.376 429 K HA 0.808 5.128 4.320 -0.000 0.000 0.257 429 K C -2.066 174.705 176.600 0.286 0.000 0.939 429 K CA -0.482 55.945 56.287 0.234 0.000 0.809 429 K CB 1.883 34.489 32.500 0.177 0.000 1.121 429 K HN 0.581 nan 8.250 nan 0.000 0.425 430 V N 4.659 124.708 119.914 0.224 0.000 2.769 430 V HA 0.274 4.394 4.120 -0.000 0.000 0.312 430 V C 0.776 176.767 176.094 -0.172 0.000 1.061 430 V CA -0.766 61.580 62.300 0.077 0.000 0.931 430 V CB 1.858 33.719 31.823 0.064 0.000 1.010 430 V HN 0.973 nan 8.190 nan 0.000 0.433 431 K N 1.826 121.903 120.400 -0.539 0.000 1.993 431 K HA -0.003 4.317 4.320 -0.000 0.000 0.220 431 K C 0.521 176.907 176.600 -0.357 0.000 1.028 431 K CA 0.807 56.552 56.287 -0.903 0.000 0.994 431 K CB -0.192 31.783 32.500 -0.875 0.000 0.788 431 K HN 0.761 nan 8.250 nan 0.000 0.445 432 D N 0.044 120.300 120.400 -0.240 0.000 2.335 432 D HA -0.092 4.547 4.640 -0.000 0.000 0.236 432 D C 0.884 177.133 176.300 -0.085 0.000 1.297 432 D CA 0.371 54.296 54.000 -0.125 0.000 0.906 432 D CB 0.561 41.302 40.800 -0.099 0.000 1.164 432 D HN 0.293 nan 8.370 nan 0.000 0.469 433 M N 0.204 119.771 119.600 -0.056 0.000 2.486 433 M HA 0.025 4.505 4.480 -0.000 0.000 0.264 433 M C 1.561 177.839 176.300 -0.036 0.000 1.125 433 M CA 1.130 56.404 55.300 -0.042 0.000 1.144 433 M CB -0.004 32.570 32.600 -0.043 0.000 1.353 433 M HN 0.390 nan 8.290 nan 0.000 0.466 434 E N 0.159 120.336 120.200 -0.038 0.000 2.085 434 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 434 E C 1.538 178.126 176.600 -0.021 0.000 0.994 434 E CA 1.287 57.672 56.400 -0.024 0.000 0.801 434 E CB -0.077 29.598 29.700 -0.042 0.000 0.743 434 E HN 0.585 nan 8.360 nan 0.000 0.453 435 N N 0.608 119.277 118.700 -0.051 0.000 2.166 435 N HA -0.157 4.582 4.740 -0.000 0.000 0.186 435 N C 1.939 177.427 175.510 -0.036 0.000 1.019 435 N CA 0.590 53.605 53.050 -0.058 0.000 0.856 435 N CB -0.147 38.282 38.487 -0.096 0.000 0.993 435 N HN 0.147 nan 8.380 nan 0.000 0.426 436 L N 2.089 123.298 121.223 -0.024 0.000 2.005 436 L HA -0.084 4.256 4.340 -0.000 0.000 0.207 436 L C 1.929 178.818 176.870 0.032 0.000 1.072 436 L CA 1.668 56.506 54.840 -0.003 0.000 0.744 436 L CB -0.624 41.440 42.059 0.007 0.000 0.895 436 L HN 0.072 nan 8.230 nan 0.000 0.433 437 E N -0.490 119.721 120.200 0.018 0.000 2.147 437 E HA -0.279 4.071 4.350 -0.000 0.000 0.199 437 E C 1.730 178.390 176.600 0.101 0.000 1.005 437 E CA 1.452 57.855 56.400 0.005 0.000 0.810 437 E CB -0.247 29.475 29.700 0.036 0.000 0.736 437 E HN 0.545 nan 8.360 nan 0.000 0.460 438 D N -0.011 120.464 120.400 0.125 0.000 2.263 438 D HA -0.096 4.544 4.640 -0.000 0.000 0.208 438 D C 1.883 178.214 176.300 0.052 0.000 0.971 438 D CA 0.392 54.475 54.000 0.138 0.000 0.867 438 D CB 0.072 40.892 40.800 0.033 0.000 0.929 438 D HN 0.009 nan 8.370 nan 0.000 0.492 439 V N 0.191 120.059 119.914 -0.076 0.000 2.237 439 V HA -0.231 3.889 4.120 -0.000 0.000 0.245 439 V C 2.019 177.938 176.094 -0.292 0.000 1.046 439 V CA 1.423 63.558 62.300 -0.275 0.000 1.007 439 V CB -0.576 30.895 31.823 -0.586 0.000 0.638 439 V HN 0.114 nan 8.190 nan 0.000 0.445 440 F N -1.779 118.085 119.950 -0.143 0.000 2.325 440 F HA -0.046 4.481 4.527 -0.000 0.000 0.299 440 F C 2.225 177.968 175.800 -0.095 0.000 1.090 440 F CA 0.878 58.779 58.000 -0.165 0.000 1.392 440 F CB -0.698 38.116 39.000 -0.311 0.000 1.053 440 F HN 0.096 nan 8.300 nan 0.000 0.521 441 Y N 0.374 120.733 120.300 0.098 0.000 2.274 441 Y HA -0.222 4.327 4.550 -0.000 0.000 0.290 441 Y C 2.577 178.511 175.900 0.056 0.000 1.145 441 Y CA 1.367 59.497 58.100 0.050 0.000 1.203 441 Y CB -0.788 37.683 38.460 0.018 0.000 0.984 441 Y HN 0.157 nan 8.280 nan 0.000 0.533 442 Q N -0.768 119.171 119.800 0.233 0.000 2.212 442 Q HA -0.114 4.226 4.340 -0.000 0.000 0.199 442 Q C 2.112 178.267 176.000 0.260 0.000 0.950 442 Q CA 0.612 56.570 55.803 0.260 0.000 0.863 442 Q CB 0.008 28.919 28.738 0.289 0.000 0.944 442 Q HN 0.459 nan 8.270 nan 0.000 0.465 443 M N 0.050 119.764 119.600 0.190 0.000 2.080 443 M HA -0.208 4.271 4.480 -0.000 0.000 0.260 443 M C 1.947 178.251 176.300 0.007 0.000 1.068 443 M CA 1.466 56.840 55.300 0.124 0.000 1.109 443 M CB -0.193 32.479 32.600 0.120 0.000 1.342 443 M HN 0.246 nan 8.290 nan 0.000 0.405 444 I N -0.101 120.494 120.570 0.041 0.000 2.614 444 I HA -0.249 3.921 4.170 -0.000 0.000 0.258 444 I C 1.357 177.463 176.117 -0.019 0.000 1.189 444 I CA 0.804 62.105 61.300 0.001 0.000 1.462 444 I CB -0.454 37.572 38.000 0.045 0.000 1.092 444 I HN 0.236 nan 8.210 nan 0.000 0.442 445 D N 0.377 120.780 120.400 0.006 0.000 2.249 445 D HA -0.148 4.491 4.640 -0.000 0.000 0.205 445 D C 2.005 178.232 176.300 -0.122 0.000 0.962 445 D CA 0.678 54.671 54.000 -0.011 0.000 0.860 445 D CB -0.019 40.824 40.800 0.071 0.000 0.955 445 D HN 0.341 nan 8.370 nan 0.000 0.505 446 E N 0.387 120.410 120.200 -0.296 0.000 2.204 446 E HA -0.107 4.243 4.350 -0.000 0.000 0.194 446 E C 1.515 177.920 176.600 -0.326 0.000 0.989 446 E CA 0.560 56.627 56.400 -0.556 0.000 0.824 446 E CB 0.287 29.286 29.700 -1.167 0.000 0.756 446 E HN 0.029 nan 8.360 nan 0.000 0.477 447 S N 1.025 116.595 115.700 -0.218 0.000 2.349 447 S HA -0.140 4.330 4.470 -0.000 0.000 0.216 447 S C 0.689 175.229 174.600 -0.100 0.000 1.033 447 S CA 0.683 58.795 58.200 -0.146 0.000 1.021 447 S CB -0.287 62.835 63.200 -0.131 0.000 0.968 447 S HN 0.354 nan 8.310 nan 0.000 0.426 448 Q N 2.138 121.893 119.800 -0.076 0.000 2.394 448 Q HA 0.069 4.409 4.340 -0.000 0.000 0.303 448 Q C 0.668 176.647 176.000 -0.033 0.000 1.117 448 Q CA 0.037 55.814 55.803 -0.043 0.000 0.966 448 Q CB -0.059 28.663 28.738 -0.028 0.000 1.275 448 Q HN 0.579 nan 8.270 nan 0.000 0.429 449 S N 0.804 116.499 115.700 -0.008 0.000 2.592 449 S HA -0.006 4.464 4.470 -0.000 0.000 0.256 449 S C 1.086 175.696 174.600 0.018 0.000 1.369 449 S CA -0.366 57.843 58.200 0.015 0.000 0.984 449 S CB 0.297 63.521 63.200 0.039 0.000 0.919 449 S HN 0.593 nan 8.310 nan 0.000 0.576 450 L N 0.957 122.211 121.223 0.052 0.000 2.478 450 L HA -0.005 4.334 4.340 -0.000 0.000 0.223 450 L C 2.516 179.357 176.870 -0.048 0.000 1.140 450 L CA 0.798 55.651 54.840 0.023 0.000 0.842 450 L CB -0.735 41.375 42.059 0.085 0.000 0.953 450 L HN 0.924 nan 8.230 nan 0.000 0.452 451 S N -0.289 115.452 115.700 0.068 0.000 2.603 451 S HA -0.028 4.442 4.470 -0.000 0.000 0.229 451 S C 0.692 175.277 174.600 -0.026 0.000 0.972 451 S CA -0.202 58.035 58.200 0.062 0.000 0.935 451 S CB -0.451 62.878 63.200 0.214 0.000 0.769 451 S HN 0.210 nan 8.310 nan 0.000 0.536 452 L N 3.643 124.846 121.223 -0.035 0.000 2.418 452 L HA 0.249 4.589 4.340 -0.000 0.000 0.274 452 L C 0.533 177.374 176.870 -0.049 0.000 1.135 452 L CA -0.507 54.315 54.840 -0.030 0.000 0.870 452 L CB -0.088 41.962 42.059 -0.015 0.000 1.154 452 L HN 0.582 nan 8.230 nan 0.000 0.462 453 c N 2.948 121.520 118.600 -0.046 0.000 2.534 453 c HA 0.722 5.292 4.570 -0.000 0.000 0.385 453 c C 1.460 175.540 174.090 -0.017 0.000 1.264 453 c CA -0.354 55.943 56.329 -0.053 0.000 2.342 453 c CB 0.024 42.492 42.510 -0.070 0.000 2.564 453 c HN 1.345 nan 8.230 nan 0.000 0.603 454 G N 2.544 111.332 108.800 -0.019 0.000 2.249 454 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.273 454 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.273 454 G C -0.244 174.783 174.900 0.212 0.000 1.036 454 G CA 0.604 45.727 45.100 0.038 0.000 0.824 454 G HN 0.940 nan 8.290 nan 0.000 0.504 455 M N 0.223 119.920 119.600 0.162 0.000 2.294 455 M HA 0.667 5.147 4.480 -0.000 0.000 0.335 455 M C -0.642 175.778 176.300 0.201 0.000 1.079 455 M CA -0.707 54.715 55.300 0.203 0.000 0.982 455 M CB 1.938 34.611 32.600 0.121 0.000 1.651 455 M HN 0.072 nan 8.290 nan 0.000 0.437 456 V N 4.602 124.675 119.914 0.266 0.000 2.668 456 V HA 0.385 4.505 4.120 -0.000 0.000 0.304 456 V C -1.347 174.920 176.094 0.287 0.000 1.071 456 V CA -0.926 61.494 62.300 0.200 0.000 0.894 456 V CB 2.590 34.441 31.823 0.045 0.000 1.008 456 V HN 0.872 nan 8.190 nan 0.000 0.425 457 W N 5.028 126.329 121.300 0.002 0.000 2.278 457 W HA 0.449 5.108 4.660 -0.001 0.000 0.317 457 W C -0.234 176.197 176.519 -0.145 0.000 1.030 457 W CA -0.622 56.679 57.345 -0.072 0.000 1.334 457 W CB 1.382 30.767 29.460 -0.126 0.000 1.215 457 W HN 0.620 nan 8.180 nan 0.000 0.405 458 E N 5.094 125.029 120.200 -0.442 0.000 2.257 458 E HA 0.072 4.422 4.350 -0.000 0.000 0.278 458 E C 0.497 176.849 176.600 -0.413 0.000 1.049 458 E CA 0.096 56.316 56.400 -0.300 0.000 0.876 458 E CB 0.982 30.547 29.700 -0.224 0.000 1.035 458 E HN 0.437 nan 8.360 nan 0.000 0.419 463 T N -0.873 113.503 114.554 -0.296 0.000 2.733 463 T HA 0.371 4.721 4.350 -0.000 0.000 0.312 463 T C 0.204 174.887 174.700 -0.028 0.000 1.590 463 T CA -0.307 61.659 62.100 -0.225 0.000 1.005 463 T CB 2.178 70.793 68.868 -0.421 0.000 1.528 463 T HN 0.463 nan 8.240 nan 0.000 0.496 464 D N -0.155 120.252 120.400 0.013 0.000 2.081 464 D HA -0.065 4.575 4.640 -0.000 0.000 0.194 464 D C 1.521 177.811 176.300 -0.017 0.000 0.986 464 D CA 1.740 55.739 54.000 -0.002 0.000 0.837 464 D CB -0.086 40.728 40.800 0.023 0.000 0.985 464 D HN 0.574 nan 8.370 nan 0.000 0.448 465 Y N 0.009 120.301 120.300 -0.014 0.000 2.497 465 Y HA -0.135 4.414 4.550 -0.001 0.000 0.292 465 Y C 2.336 178.202 175.900 -0.056 0.000 1.137 465 Y CA 0.910 58.968 58.100 -0.070 0.000 1.285 465 Y CB -0.176 38.249 38.460 -0.057 0.000 0.991 465 Y HN 0.227 nan 8.280 nan 0.000 0.556 466 H N -0.078 119.013 119.070 0.035 0.000 2.390 466 H HA -0.171 4.385 4.556 -0.000 0.000 0.298 466 H C 1.827 177.117 175.328 -0.063 0.000 1.106 466 H CA 1.871 57.934 56.048 0.026 0.000 1.297 466 H CB 0.003 29.811 29.762 0.077 0.000 1.375 466 H HN 0.244 nan 8.280 nan 0.000 0.509 467 K N -0.335 120.054 120.400 -0.019 0.000 2.365 467 K HA 0.009 4.329 4.320 -0.000 0.000 0.197 467 K C 0.046 176.385 176.600 -0.435 0.000 1.042 467 K CA 0.594 56.785 56.287 -0.160 0.000 0.987 467 K CB 0.521 32.945 32.500 -0.128 0.000 0.779 467 K HN 0.203 nan 8.250 nan 0.000 0.484 468 Q N -0.385 119.055 119.800 -0.599 0.000 3.484 468 Q HA 0.113 4.453 4.340 -0.000 0.000 0.255 468 Q C -2.202 173.189 176.000 -1.015 0.000 0.909 468 Q CA -1.274 53.794 55.803 -1.226 0.000 0.774 468 Q CB 1.490 29.548 28.738 -1.135 0.000 1.431 468 Q HN -0.071 nan 8.270 nan 0.000 0.423 469 P HA -0.164 nan 4.420 nan 0.000 0.220 469 P C 0.453 177.704 177.300 -0.081 0.000 1.148 469 P CA 1.035 64.021 63.100 -0.190 0.000 0.803 469 P CB 0.013 31.676 31.700 -0.062 0.000 0.782 470 W N -0.511 120.784 121.300 -0.007 0.000 3.047 470 W HA 0.331 4.992 4.660 0.000 0.000 0.250 470 W C 0.549 177.113 176.519 0.076 0.000 1.314 470 W CA -0.500 56.857 57.345 0.021 0.000 1.540 470 W CB -1.381 28.072 29.460 -0.011 0.000 1.127 470 W HN -0.167 nan 8.180 nan 0.000 0.679 471 Q N 2.393 122.039 119.800 -0.256 0.000 2.304 471 Q HA 0.484 4.824 4.340 -0.000 0.000 0.260 471 Q C -0.649 175.460 176.000 0.182 0.000 0.965 471 Q CA 0.296 56.059 55.803 -0.067 0.000 0.898 471 Q CB 1.134 29.680 28.738 -0.321 0.000 1.196 471 Q HN 0.254 nan 8.270 nan 0.000 0.402 472 A N 4.393 127.318 122.820 0.176 0.000 2.359 472 A HA 0.520 4.839 4.320 -0.000 0.000 0.303 472 A C -1.121 176.549 177.584 0.143 0.000 1.066 472 A CA -0.857 51.278 52.037 0.164 0.000 0.730 472 A CB 1.012 20.102 19.000 0.150 0.000 1.211 472 A HN 0.706 nan 8.150 nan 0.000 0.439 473 K N 3.044 123.524 120.400 0.133 0.000 2.267 473 K HA 0.449 4.768 4.320 -0.000 0.000 0.282 473 K C -0.607 176.045 176.600 0.088 0.000 1.078 473 K CA 0.079 56.431 56.287 0.109 0.000 0.903 473 K CB 0.812 33.379 32.500 0.112 0.000 1.111 473 K HN 0.649 nan 8.250 nan 0.000 0.475 474 I N 1.225 121.842 120.570 0.078 0.000 2.713 474 I HA 0.184 4.354 4.170 -0.000 0.000 0.300 474 I C 0.237 176.392 176.117 0.062 0.000 1.009 474 I CA -0.311 61.034 61.300 0.075 0.000 1.305 474 I CB 1.550 39.576 38.000 0.044 0.000 1.430 474 I HN 0.478 nan 8.210 nan 0.000 0.546 475 S N 2.528 118.277 115.700 0.082 0.000 2.541 475 S HA 0.659 5.128 4.470 -0.000 0.000 0.271 475 S C -0.862 173.799 174.600 0.103 0.000 1.133 475 S CA -0.664 57.582 58.200 0.077 0.000 0.876 475 S CB 2.402 65.645 63.200 0.072 0.000 1.105 475 S HN 0.309 nan 8.310 nan 0.000 0.470 476 V N 2.541 122.509 119.914 0.090 0.000 2.823 476 V HA 0.587 4.707 4.120 -0.000 0.000 0.312 476 V C -1.025 175.125 176.094 0.093 0.000 1.072 476 V CA -0.809 61.559 62.300 0.113 0.000 0.937 476 V CB 1.914 33.806 31.823 0.116 0.000 1.013 476 V HN 0.761 nan 8.190 nan 0.000 0.430 477 I N 3.795 124.423 120.570 0.096 0.000 2.354 477 I HA 0.532 4.702 4.170 -0.000 0.000 0.286 477 I C -0.030 176.134 176.117 0.079 0.000 1.007 477 I CA -0.222 61.125 61.300 0.079 0.000 1.167 477 I CB 1.296 39.340 38.000 0.073 0.000 1.320 477 I HN 0.623 nan 8.210 nan 0.000 0.458 478 R N 6.255 126.796 120.500 0.070 0.000 2.680 478 R HA 0.388 4.727 4.340 -0.000 0.000 0.278 478 R C -1.867 174.466 176.300 0.055 0.000 1.582 478 R CA -1.172 54.968 56.100 0.067 0.000 1.177 478 R CB 1.242 31.586 30.300 0.073 0.000 1.232 478 R HN 0.513 nan 8.270 nan 0.000 0.528 486 c N 3.653 122.249 118.600 -0.006 0.000 2.768 486 c HA 0.873 5.443 4.570 -0.000 0.000 0.411 486 c C -0.118 173.989 174.090 0.028 0.000 1.793 486 c CA -0.673 55.644 56.329 -0.021 0.000 1.747 486 c CB 1.422 43.846 42.510 -0.144 0.000 2.128 486 c HN 0.941 nan 8.230 nan 0.000 0.472 487 M N 0.302 119.927 119.600 0.041 0.000 2.727 487 M HA 0.659 5.138 4.480 -0.000 0.000 0.300 487 M C -0.143 176.216 176.300 0.099 0.000 1.246 487 M CA -0.042 55.311 55.300 0.088 0.000 0.835 487 M CB 1.518 34.190 32.600 0.120 0.000 1.755 487 M HN 0.954 nan 8.290 nan 0.000 0.473 488 G N 0.211 109.096 108.800 0.141 0.000 2.601 488 G HA2 0.753 4.712 3.960 -0.000 0.000 0.291 488 G HA3 0.753 4.712 3.960 -0.000 0.000 0.291 488 G C -2.275 172.758 174.900 0.221 0.000 1.456 488 G CA -0.477 44.724 45.100 0.168 0.000 0.804 488 G HN 0.832 nan 8.290 nan 0.000 0.499 489 A N 0.082 123.045 122.820 0.238 0.000 2.330 489 A HA 0.719 5.039 4.320 -0.000 0.000 0.313 489 A C -0.190 177.543 177.584 0.248 0.000 1.124 489 A CA -0.545 51.671 52.037 0.299 0.000 0.774 489 A CB 1.706 20.872 19.000 0.277 0.000 1.198 489 A HN 1.326 nan 8.150 nan 0.000 0.465 490 V N 3.571 123.645 119.914 0.267 0.000 2.485 490 V HA 0.102 4.221 4.120 -0.000 0.000 0.287 490 V C 1.352 177.566 176.094 0.201 0.000 1.022 490 V CA 1.085 63.523 62.300 0.230 0.000 1.067 490 V CB 1.026 32.986 31.823 0.227 0.000 0.967 490 V HN 1.103 nan 8.190 nan 0.000 0.479 491 V N 2.243 122.274 119.914 0.195 0.000 3.605 491 V HA 0.435 4.555 4.120 -0.000 0.000 0.284 491 V C 0.552 176.751 176.094 0.175 0.000 1.386 491 V CA 0.864 63.251 62.300 0.145 0.000 1.053 491 V CB -0.022 31.874 31.823 0.121 0.000 0.857 491 V HN 0.893 nan 8.190 nan 0.000 0.436 492 S N -0.500 115.353 115.700 0.256 0.000 2.862 492 S HA 0.364 4.834 4.470 -0.000 0.000 0.300 492 S C 0.209 175.021 174.600 0.354 0.000 1.240 492 S CA 0.061 58.450 58.200 0.315 0.000 1.025 492 S CB 1.029 64.427 63.200 0.329 0.000 1.340 492 S HN 0.160 nan 8.310 nan 0.000 0.544 493 E N -0.573 119.795 120.200 0.280 0.000 2.400 493 E HA 0.194 4.544 4.350 -0.000 0.000 0.195 493 E C 0.494 177.088 176.600 -0.010 0.000 1.012 493 E CA 0.512 56.958 56.400 0.076 0.000 0.875 493 E CB 0.049 29.720 29.700 -0.048 0.000 0.859 493 E HN 0.588 nan 8.360 nan 0.000 0.498 494 Y N -1.172 119.123 120.300 -0.008 0.000 2.581 494 Y HA 0.195 4.745 4.550 -0.000 0.000 0.271 494 Y C 0.331 175.996 175.900 -0.393 0.000 1.100 494 Y CA -0.019 57.929 58.100 -0.252 0.000 1.281 494 Y CB 0.879 39.093 38.460 -0.410 0.000 1.237 494 Y HN -0.160 nan 8.280 nan 0.000 0.514 495 F N -0.468 119.592 119.950 0.183 0.000 2.507 495 F HA 0.598 5.125 4.527 -0.000 0.000 0.327 495 F C -0.549 175.322 175.800 0.118 0.000 1.068 495 F CA -1.401 56.674 58.000 0.126 0.000 0.965 495 F CB 1.532 40.584 39.000 0.087 0.000 1.192 495 F HN -0.566 nan 8.300 nan 0.000 0.476 496 V N 3.841 123.939 119.914 0.307 0.000 2.525 496 V HA 0.314 4.434 4.120 -0.000 0.000 0.299 496 V C -0.832 175.409 176.094 0.246 0.000 1.034 496 V CA -0.730 61.714 62.300 0.240 0.000 0.863 496 V CB 1.730 33.667 31.823 0.190 0.000 0.999 496 V HN 0.504 nan 8.190 nan 0.000 0.423 497 L N 4.888 126.244 121.223 0.223 0.000 2.349 497 L HA 0.789 5.129 4.340 -0.000 0.000 0.275 497 L C 0.274 177.268 176.870 0.206 0.000 1.115 497 L CA 1.415 56.388 54.840 0.220 0.000 0.820 497 L CB 1.395 43.568 42.059 0.190 0.000 1.135 497 L HN 0.927 nan 8.230 nan 0.000 0.445 498 T N 2.874 117.553 114.554 0.209 0.000 2.637 498 T HA 0.787 5.136 4.350 -0.000 0.000 0.303 498 T C -1.679 173.096 174.700 0.126 0.000 1.288 498 T CA -0.026 62.166 62.100 0.152 0.000 1.040 498 T CB 0.749 69.688 68.868 0.117 0.000 1.644 498 T HN 0.826 nan 8.240 nan 0.000 0.480 499 A N 0.475 123.313 122.820 0.031 0.000 2.317 499 A HA 0.801 5.121 4.320 -0.000 0.000 0.327 499 A C 1.348 178.880 177.584 -0.087 0.000 1.178 499 A CA 0.215 52.259 52.037 0.012 0.000 0.817 499 A CB 0.801 19.839 19.000 0.063 0.000 1.189 499 A HN 1.263 nan 8.150 nan 0.000 0.489 500 A N 1.652 124.452 122.820 -0.034 0.000 1.865 500 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 500 A C 1.872 179.489 177.584 0.055 0.000 1.191 500 A CA 2.007 54.048 52.037 0.007 0.000 0.623 500 A CB -1.274 17.361 19.000 -0.608 0.000 0.826 500 A HN 1.193 nan 8.150 nan 0.000 0.444 501 H N -0.217 118.911 119.070 0.095 0.000 2.492 501 H HA -0.169 4.387 4.556 -0.000 0.000 0.296 501 H C 1.509 176.906 175.328 0.115 0.000 1.095 501 H CA 1.609 57.771 56.048 0.190 0.000 1.281 501 H CB -1.194 28.747 29.762 0.298 0.000 1.374 501 H HN 0.607 nan 8.280 nan 0.000 0.545 502 c N -0.339 117.963 118.600 -0.496 0.000 2.480 502 c HA 0.471 5.041 4.570 -0.000 0.000 0.317 502 c C 0.418 174.268 174.090 -0.401 0.000 1.300 502 c CA -1.173 54.909 56.329 -0.413 0.000 1.706 502 c CB -2.151 40.038 42.510 -0.535 0.000 1.840 502 c HN 0.173 nan 8.230 nan 0.000 0.596 503 F N 1.377 121.391 119.950 0.107 0.000 2.780 503 F HA 0.596 5.123 4.527 -0.000 0.000 0.394 503 F C 1.713 177.605 175.800 0.153 0.000 1.244 503 F CA -0.219 57.877 58.000 0.159 0.000 1.133 503 F CB 0.410 39.571 39.000 0.268 0.000 1.528 503 F HN 0.072 nan 8.300 nan 0.000 0.496 504 T N -3.563 111.232 114.554 0.401 0.000 3.174 504 T HA 0.267 4.617 4.350 -0.000 0.000 0.252 504 T C 0.813 175.598 174.700 0.141 0.000 0.984 504 T CA 0.827 63.057 62.100 0.216 0.000 1.113 504 T CB 0.514 69.480 68.868 0.164 0.000 1.088 504 T HN 0.569 nan 8.240 nan 0.000 0.442 505 V N 0.825 120.838 119.914 0.165 0.000 0.821 505 V HA -0.210 3.910 4.120 -0.000 0.000 0.118 505 V C -0.498 175.635 176.094 0.066 0.000 2.758 505 V CA 1.308 63.651 62.300 0.073 0.000 3.700 505 V CB -1.708 30.057 31.823 -0.097 0.000 1.179 505 V HN 0.858 nan 8.190 nan 0.000 1.167 511 S N 1.234 116.998 115.700 0.106 0.000 2.723 511 S HA 0.148 4.618 4.470 -0.000 0.000 0.231 511 S C 0.810 175.485 174.600 0.125 0.000 0.967 511 S CA 0.600 58.865 58.200 0.108 0.000 0.958 511 S CB -0.292 62.963 63.200 0.092 0.000 0.778 511 S HN 0.246 nan 8.310 nan 0.000 0.537 512 I N 0.708 121.350 120.570 0.120 0.000 3.095 512 I HA 0.498 4.668 4.170 -0.000 0.000 0.310 512 I C -1.116 175.077 176.117 0.126 0.000 1.196 512 I CA -1.039 60.351 61.300 0.151 0.000 0.985 512 I CB 2.387 40.475 38.000 0.147 0.000 1.250 512 I HN -0.080 nan 8.210 nan 0.000 0.446 513 K N 1.805 122.288 120.400 0.138 0.000 2.583 513 K HA 0.750 5.069 4.320 -0.000 0.000 0.260 513 K C -2.080 174.581 176.600 0.103 0.000 0.931 513 K CA -0.801 55.546 56.287 0.100 0.000 0.849 513 K CB 2.232 34.779 32.500 0.079 0.000 1.347 513 K HN 0.296 nan 8.250 nan 0.000 0.425 514 V N 0.716 120.677 119.914 0.078 0.000 2.864 514 V HA 0.689 4.808 4.120 -0.000 0.000 0.314 514 V C -0.763 175.358 176.094 0.044 0.000 1.073 514 V CA -0.725 61.621 62.300 0.075 0.000 0.956 514 V CB 1.841 33.712 31.823 0.080 0.000 1.023 514 V HN 0.894 nan 8.190 nan 0.000 0.435 515 S N 1.951 117.676 115.700 0.042 0.000 2.548 515 S HA 0.850 5.320 4.470 -0.000 0.000 0.276 515 S C -0.988 173.610 174.600 -0.003 0.000 1.129 515 S CA -0.188 58.017 58.200 0.008 0.000 0.931 515 S CB 1.689 64.890 63.200 0.002 0.000 1.068 515 S HN 1.395 nan 8.310 nan 0.000 0.480 516 V N 1.446 121.325 119.914 -0.058 0.000 3.156 516 V HA 0.955 5.075 4.120 -0.000 0.000 0.311 516 V C 1.194 177.109 176.094 -0.298 0.000 1.208 516 V CA 0.059 62.299 62.300 -0.100 0.000 1.063 516 V CB 0.596 32.411 31.823 -0.015 0.000 1.098 516 V HN 1.924 nan 8.190 nan 0.000 0.452 517 G N -0.378 108.166 108.800 -0.427 0.000 2.205 517 G HA2 0.011 3.971 3.960 -0.000 0.000 0.269 517 G HA3 0.011 3.971 3.960 -0.000 0.000 0.269 517 G C 1.786 176.116 174.900 -0.949 0.000 0.977 517 G CA 1.231 46.007 45.100 -0.540 0.000 0.652 517 G HN 2.995 nan 8.290 nan 0.000 0.539 518 G N -0.891 107.171 108.800 -1.231 0.000 2.248 518 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.263 518 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.263 518 G C -0.154 174.564 174.900 -0.303 0.000 1.082 518 G CA 0.936 45.560 45.100 -0.794 0.000 0.863 518 G HN 1.035 nan 8.290 nan 0.000 0.495 519 E N -0.944 119.112 120.200 -0.239 0.000 2.221 519 E HA 0.451 4.801 4.350 -0.000 0.000 0.268 519 E C 1.115 177.668 176.600 -0.078 0.000 0.933 519 E CA -0.759 55.565 56.400 -0.127 0.000 0.809 519 E CB 1.732 31.364 29.700 -0.114 0.000 1.190 519 E HN 0.138 nan 8.360 nan 0.000 0.406 520 K N 1.829 122.199 120.400 -0.049 0.000 1.991 520 K HA -0.146 4.174 4.320 -0.000 0.000 0.212 520 K C 0.918 177.502 176.600 -0.026 0.000 1.049 520 K CA 1.001 57.272 56.287 -0.028 0.000 0.932 520 K CB 0.034 32.522 32.500 -0.020 0.000 0.717 520 K HN 0.399 nan 8.250 nan 0.000 0.441 521 R N 2.520 123.001 120.500 -0.031 0.000 2.504 521 R HA -0.112 4.228 4.340 -0.000 0.000 0.302 521 R C -1.193 175.093 176.300 -0.024 0.000 0.893 521 R CA 0.991 57.074 56.100 -0.028 0.000 1.138 521 R CB -0.114 30.164 30.300 -0.036 0.000 0.880 521 R HN 0.325 nan 8.270 nan 0.000 0.415 522 D N 6.618 127.011 120.400 -0.011 0.000 2.443 522 D HA 0.126 4.766 4.640 -0.000 0.000 0.221 522 D C 0.282 176.582 176.300 -0.001 0.000 1.097 522 D CA -0.501 53.499 54.000 0.001 0.000 0.865 522 D CB 0.719 41.530 40.800 0.018 0.000 1.034 522 D HN 0.366 nan 8.370 nan 0.000 0.511 523 L N 1.335 122.552 121.223 -0.010 0.000 2.514 523 L HA 0.003 4.343 4.340 -0.000 0.000 0.280 523 L C 1.292 178.158 176.870 -0.008 0.000 1.223 523 L CA 0.337 55.164 54.840 -0.022 0.000 0.864 523 L CB 0.286 42.321 42.059 -0.039 0.000 1.118 523 L HN 0.469 nan 8.230 nan 0.000 0.494 524 E N 2.853 123.046 120.200 -0.012 0.000 2.392 524 E HA 0.376 4.726 4.350 -0.000 0.000 0.256 524 E C -0.866 175.728 176.600 -0.010 0.000 1.145 524 E CA -0.416 55.988 56.400 0.007 0.000 0.929 524 E CB 0.820 30.529 29.700 0.015 0.000 0.998 524 E HN 0.363 nan 8.360 nan 0.000 0.442 525 I N 2.219 122.791 120.570 0.003 0.000 2.569 525 I HA 0.160 4.330 4.170 -0.000 0.000 0.296 525 I C 1.042 177.141 176.117 -0.031 0.000 1.028 525 I CA -0.502 60.783 61.300 -0.024 0.000 1.082 525 I CB 1.846 39.830 38.000 -0.027 0.000 1.264 525 I HN 0.743 nan 8.210 nan 0.000 0.429 526 E N 3.675 123.849 120.200 -0.043 0.000 2.011 526 E HA 0.014 4.363 4.350 -0.000 0.000 0.191 526 E C -0.123 176.444 176.600 -0.055 0.000 0.980 526 E CA 1.117 57.495 56.400 -0.036 0.000 0.814 526 E CB 0.750 30.436 29.700 -0.023 0.000 0.775 526 E HN 0.394 nan 8.360 nan 0.000 0.454 527 V N -0.504 119.371 119.914 -0.064 0.000 3.203 527 V HA 0.390 4.510 4.120 -0.000 0.000 0.305 527 V C -1.667 174.349 176.094 -0.131 0.000 1.361 527 V CA -0.834 61.414 62.300 -0.086 0.000 1.066 527 V CB 2.343 34.139 31.823 -0.046 0.000 1.085 527 V HN 0.037 nan 8.190 nan 0.000 0.456 528 V N 3.259 123.046 119.914 -0.212 0.000 2.531 528 V HA 0.531 4.651 4.120 -0.000 0.000 0.301 528 V C -0.686 175.181 176.094 -0.379 0.000 1.034 528 V CA -0.493 61.579 62.300 -0.381 0.000 0.865 528 V CB 1.577 32.943 31.823 -0.762 0.000 0.995 528 V HN 0.613 nan 8.190 nan 0.000 0.424 529 L N 5.335 126.432 121.223 -0.210 0.000 2.276 529 L HA 0.584 4.924 4.340 -0.000 0.000 0.286 529 L C -0.643 176.213 176.870 -0.024 0.000 1.024 529 L CA -0.147 54.687 54.840 -0.010 0.000 0.826 529 L CB 0.864 43.065 42.059 0.237 0.000 1.211 529 L HN 0.469 nan 8.230 nan 0.000 0.422 530 F N 0.953 120.992 119.950 0.148 0.000 2.370 530 F HA 0.324 4.850 4.527 -0.000 0.000 0.319 530 F C 1.132 176.817 175.800 -0.192 0.000 1.129 530 F CA -0.531 57.461 58.000 -0.014 0.000 1.109 530 F CB 0.305 39.313 39.000 0.013 0.000 1.262 530 F HN 0.405 nan 8.300 nan 0.000 0.534 531 H N 3.552 122.362 119.070 -0.433 0.000 2.790 531 H HA 0.058 4.614 4.556 -0.000 0.000 0.358 531 H C -1.527 173.670 175.328 -0.218 0.000 1.103 531 H CA -1.194 54.406 56.048 -0.746 0.000 1.426 531 H CB 1.624 30.963 29.762 -0.706 0.000 1.424 531 H HN 0.276 nan 8.280 nan 0.000 0.599 532 P HA -0.110 nan 4.420 nan 0.000 0.216 532 P C 0.351 177.644 177.300 -0.011 0.000 1.153 532 P CA 1.164 64.207 63.100 -0.096 0.000 0.844 532 P CB 0.364 31.971 31.700 -0.155 0.000 0.787 533 N N -1.572 117.127 118.700 -0.003 0.000 2.515 533 N HA -0.048 4.692 4.740 -0.000 0.000 0.191 533 N C 0.302 175.857 175.510 0.076 0.000 1.182 533 N CA 0.041 53.046 53.050 -0.074 0.000 0.879 533 N CB -0.914 37.266 38.487 -0.511 0.000 0.984 533 N HN 0.295 nan 8.380 nan 0.000 0.453 534 Y N 1.117 121.425 120.300 0.012 0.000 2.299 534 Y HA 0.455 5.005 4.550 -0.000 0.000 0.326 534 Y C -0.392 175.511 175.900 0.005 0.000 1.164 534 Y CA -0.766 57.353 58.100 0.031 0.000 1.234 534 Y CB 0.673 39.155 38.460 0.036 0.000 1.219 534 Y HN -0.082 nan 8.280 nan 0.000 0.497 535 N N 5.857 123.993 118.700 -0.940 0.000 2.812 535 N HA 0.036 4.776 4.740 -0.000 0.000 0.262 535 N C -0.079 174.958 175.510 -0.788 0.000 1.241 535 N CA -0.382 52.220 53.050 -0.746 0.000 0.854 535 N CB 0.636 38.973 38.487 -0.250 0.000 1.506 535 N HN 0.842 nan 8.380 nan 0.000 0.576 536 I N 2.358 122.386 120.570 -0.903 0.000 2.623 536 I HA -0.122 4.047 4.170 -0.000 0.000 0.261 536 I C 0.613 176.540 176.117 -0.316 0.000 1.204 536 I CA 1.518 62.523 61.300 -0.493 0.000 1.444 536 I CB 0.002 37.872 38.000 -0.216 0.000 1.094 536 I HN 0.435 nan 8.210 nan 0.000 0.451 537 N N 0.213 118.759 118.700 -0.256 0.000 2.191 537 N HA 0.324 5.064 4.740 -0.000 0.000 0.183 537 N C 0.709 176.153 175.510 -0.109 0.000 1.474 537 N CA 0.529 53.480 53.050 -0.164 0.000 1.043 537 N CB -0.508 37.895 38.487 -0.140 0.000 1.332 537 N HN 0.053 nan 8.380 nan 0.000 0.321 538 G N 1.040 109.777 108.800 -0.106 0.000 2.298 538 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.287 538 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.287 538 G C 0.293 175.115 174.900 -0.130 0.000 1.075 538 G CA 1.045 46.094 45.100 -0.084 0.000 0.960 538 G HN 0.521 nan 8.290 nan 0.000 0.502 539 K N -1.925 118.382 120.400 -0.155 0.000 1.496 539 K HA -0.017 4.303 4.320 -0.000 0.000 0.103 539 K C 1.626 178.124 176.600 -0.170 0.000 2.186 539 K CA 0.369 56.530 56.287 -0.211 0.000 0.945 539 K CB -0.503 31.772 32.500 -0.376 0.000 2.369 539 K HN 0.215 nan 8.250 nan 0.000 0.325 540 K N 2.114 122.430 120.400 -0.139 0.000 2.103 540 K HA -0.152 4.167 4.320 -0.000 0.000 0.207 540 K C 0.945 177.478 176.600 -0.112 0.000 1.048 540 K CA 2.024 58.234 56.287 -0.128 0.000 0.930 540 K CB 0.134 32.567 32.500 -0.112 0.000 0.716 540 K HN 0.299 nan 8.250 nan 0.000 0.444 541 E N -0.744 119.396 120.200 -0.100 0.000 2.463 541 E HA 0.023 4.373 4.350 -0.000 0.000 0.191 541 E C 0.295 176.843 176.600 -0.087 0.000 1.083 541 E CA 0.145 56.495 56.400 -0.084 0.000 0.872 541 E CB 0.459 30.117 29.700 -0.070 0.000 0.966 541 E HN 0.205 nan 8.360 nan 0.000 0.491 542 A N 1.106 123.862 122.820 -0.107 0.000 2.713 542 A HA 0.540 4.860 4.320 -0.000 0.000 0.296 542 A C 1.367 178.886 177.584 -0.108 0.000 1.255 542 A CA 0.001 51.975 52.037 -0.105 0.000 0.955 542 A CB -0.220 18.705 19.000 -0.126 0.000 1.149 542 A HN 0.331 nan 8.150 nan 0.000 0.538 543 G N -0.265 108.474 108.800 -0.102 0.000 2.184 543 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.264 543 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.264 543 G C 0.140 174.956 174.900 -0.141 0.000 0.975 543 G CA 0.534 45.572 45.100 -0.103 0.000 0.642 543 G HN 0.605 nan 8.290 nan 0.000 0.536 544 I N 1.377 121.848 120.570 -0.165 0.000 2.347 544 I HA 0.213 4.383 4.170 -0.000 0.000 0.283 544 I C -1.064 174.915 176.117 -0.230 0.000 1.058 544 I CA -2.328 58.839 61.300 -0.220 0.000 1.202 544 I CB 1.703 39.581 38.000 -0.203 0.000 1.386 544 I HN -0.137 nan 8.210 nan 0.000 0.475 545 P HA -0.110 nan 4.420 nan 0.000 0.215 545 P C -0.282 176.872 177.300 -0.243 0.000 1.157 545 P CA 1.434 64.393 63.100 -0.235 0.000 0.868 545 P CB 0.290 31.841 31.700 -0.249 0.000 0.788 546 E N -1.958 118.051 120.200 -0.318 0.000 2.263 546 E HA 0.402 4.751 4.350 -0.000 0.000 0.268 546 E C -1.461 175.039 176.600 -0.167 0.000 0.884 546 E CA -0.622 55.591 56.400 -0.312 0.000 0.766 546 E CB 1.374 30.856 29.700 -0.362 0.000 1.196 546 E HN -0.152 nan 8.360 nan 0.000 0.416 547 F N 3.538 123.288 119.950 -0.333 0.000 2.451 547 F HA 0.316 4.843 4.527 -0.000 0.000 0.367 547 F C -0.783 174.956 175.800 -0.103 0.000 1.100 547 F CA -0.860 57.043 58.000 -0.162 0.000 1.171 547 F CB 0.108 39.030 39.000 -0.130 0.000 1.405 547 F HN 0.564 nan 8.300 nan 0.000 0.482 548 Y N 1.128 121.264 120.300 -0.273 0.000 2.542 548 Y HA -0.016 4.533 4.550 -0.000 0.000 0.326 548 Y C 1.087 176.970 175.900 -0.029 0.000 1.218 548 Y CA -0.012 58.048 58.100 -0.066 0.000 1.277 548 Y CB -0.520 37.923 38.460 -0.029 0.000 1.064 548 Y HN 0.384 nan 8.280 nan 0.000 0.499 549 D N -0.284 119.861 120.400 -0.425 0.000 2.458 549 D HA -0.141 4.499 4.640 -0.000 0.000 0.243 549 D C -0.150 176.066 176.300 -0.141 0.000 1.146 549 D CA 0.597 54.315 54.000 -0.470 0.000 0.877 549 D CB 0.178 40.451 40.800 -0.879 0.000 1.176 549 D HN 0.292 nan 8.370 nan 0.000 0.461 550 Y N 0.476 120.604 120.300 -0.285 0.000 4.272 550 Y HA -0.250 4.299 4.550 -0.000 0.000 0.232 550 Y C 0.419 176.224 175.900 -0.159 0.000 1.149 550 Y CA 0.558 58.465 58.100 -0.322 0.000 1.961 550 Y CB -1.795 36.448 38.460 -0.362 0.000 1.611 550 Y HN 0.437 nan 8.280 nan 0.000 0.682 551 D N 1.540 121.975 120.400 0.058 0.000 2.597 551 D HA 0.374 5.013 4.640 -0.000 0.000 0.228 551 D C -0.183 176.099 176.300 -0.030 0.000 1.120 551 D CA 0.622 54.663 54.000 0.068 0.000 1.083 551 D CB -0.455 40.557 40.800 0.353 0.000 1.116 551 D HN 0.185 nan 8.370 nan 0.000 0.487 552 V N -0.562 119.257 119.914 -0.158 0.000 2.971 552 V HA 0.976 5.096 4.120 -0.000 0.000 0.309 552 V C -0.815 175.205 176.094 -0.123 0.000 1.130 552 V CA -1.098 61.160 62.300 -0.069 0.000 0.964 552 V CB 1.431 33.268 31.823 0.023 0.000 1.029 552 V HN 0.336 nan 8.190 nan 0.000 0.427 553 A N 3.806 126.698 122.820 0.120 0.000 2.520 553 A HA 0.895 5.215 4.320 -0.000 0.000 0.298 553 A C -1.312 176.489 177.584 0.361 0.000 1.051 553 A CA -0.674 51.484 52.037 0.202 0.000 0.690 553 A CB 1.744 20.793 19.000 0.082 0.000 1.281 553 A HN 1.050 nan 8.150 nan 0.000 0.402 554 L N 1.616 123.078 121.223 0.398 0.000 2.344 554 L HA 0.617 4.957 4.340 -0.000 0.000 0.272 554 L C -0.587 176.411 176.870 0.213 0.000 1.035 554 L CA -0.504 54.522 54.840 0.311 0.000 0.807 554 L CB 1.637 43.834 42.059 0.229 0.000 1.237 554 L HN 0.602 nan 8.230 nan 0.000 0.442 555 I N 2.472 123.189 120.570 0.246 0.000 2.411 555 I HA 0.256 4.426 4.170 -0.000 0.000 0.284 555 I C -0.271 175.897 176.117 0.085 0.000 1.012 555 I CA -0.538 60.839 61.300 0.129 0.000 1.119 555 I CB 1.552 39.630 38.000 0.131 0.000 1.261 555 I HN 0.481 nan 8.210 nan 0.000 0.448 556 K N 7.645 128.026 120.400 -0.033 0.000 2.250 556 K HA 0.414 4.733 4.320 -0.000 0.000 0.280 556 K C -0.211 176.281 176.600 -0.180 0.000 1.098 556 K CA -0.517 55.571 56.287 -0.331 0.000 0.916 556 K CB 0.545 32.827 32.500 -0.363 0.000 1.209 556 K HN 0.580 nan 8.250 nan 0.000 0.461 557 L N 3.417 124.525 121.223 -0.193 0.000 2.516 557 L HA -0.096 4.244 4.340 -0.000 0.000 0.288 557 L C 1.632 178.400 176.870 -0.172 0.000 1.246 557 L CA -0.002 54.736 54.840 -0.170 0.000 0.844 557 L CB 0.228 42.154 42.059 -0.220 0.000 1.106 557 L HN 0.642 nan 8.230 nan 0.000 0.509 558 K N 1.938 122.263 120.400 -0.126 0.000 2.057 558 K HA -0.062 4.257 4.320 -0.000 0.000 0.207 558 K C 0.576 177.086 176.600 -0.151 0.000 1.049 558 K CA 1.252 57.488 56.287 -0.086 0.000 0.931 558 K CB 0.151 32.620 32.500 -0.051 0.000 0.714 558 K HN 0.592 nan 8.250 nan 0.000 0.440 559 N N 0.062 118.604 118.700 -0.264 0.000 2.671 559 N HA 0.167 4.907 4.740 -0.000 0.000 0.303 559 N C -0.704 174.404 175.510 -0.671 0.000 1.277 559 N CA -0.596 52.254 53.050 -0.334 0.000 0.933 559 N CB 0.575 38.939 38.487 -0.206 0.000 1.190 559 N HN -0.112 nan 8.380 nan 0.000 0.600 560 K N 0.556 120.635 120.400 -0.535 0.000 2.118 560 K HA 0.406 4.726 4.320 -0.000 0.000 0.264 560 K C -0.443 175.952 176.600 -0.341 0.000 1.000 560 K CA -0.434 55.533 56.287 -0.532 0.000 0.929 560 K CB 0.901 33.242 32.500 -0.266 0.000 1.021 560 K HN 0.305 nan 8.250 nan 0.000 0.463 561 L N 2.731 123.765 121.223 -0.315 0.000 2.287 561 L HA 0.292 4.632 4.340 -0.000 0.000 0.287 561 L C 0.006 176.679 176.870 -0.327 0.000 1.022 561 L CA -0.627 54.068 54.840 -0.241 0.000 0.814 561 L CB 1.366 43.340 42.059 -0.141 0.000 1.217 561 L HN 0.457 nan 8.230 nan 0.000 0.420 562 K N 3.017 123.287 120.400 -0.217 0.000 2.312 562 K HA 0.242 4.562 4.320 -0.000 0.000 0.287 562 K C -0.487 176.058 176.600 -0.091 0.000 1.062 562 K CA -0.452 55.713 56.287 -0.204 0.000 0.934 562 K CB 0.564 32.999 32.500 -0.108 0.000 1.027 562 K HN 0.205 nan 8.250 nan 0.000 0.478 563 Y N 1.466 121.759 120.300 -0.013 0.000 2.183 563 Y HA 0.381 4.931 4.550 -0.000 0.000 0.380 563 Y C 1.453 177.342 175.900 -0.018 0.000 1.308 563 Y CA 0.338 58.433 58.100 -0.008 0.000 1.813 563 Y CB 0.312 38.776 38.460 0.006 0.000 1.584 563 Y HN 0.807 nan 8.280 nan 0.000 0.665 564 G N -1.650 107.254 108.800 0.174 0.000 2.336 564 G HA2 0.054 4.014 3.960 -0.000 0.000 0.286 564 G HA3 0.054 4.014 3.960 -0.000 0.000 0.286 564 G C -0.326 174.568 174.900 -0.011 0.000 1.269 564 G CA -0.664 44.472 45.100 0.059 0.000 0.873 564 G HN 0.282 nan 8.290 nan 0.000 0.494 565 Q N -0.556 119.202 119.800 -0.070 0.000 2.230 565 Q HA -0.041 4.298 4.340 -0.000 0.000 0.202 565 Q C 2.267 178.048 176.000 -0.365 0.000 0.963 565 Q CA 2.007 57.670 55.803 -0.234 0.000 0.866 565 Q CB 0.018 28.587 28.738 -0.282 0.000 0.931 565 Q HN 0.723 nan 8.270 nan 0.000 0.452 566 T N -3.179 111.265 114.554 -0.183 0.000 3.044 566 T HA 0.383 4.733 4.350 -0.000 0.000 0.260 566 T C 0.679 175.359 174.700 -0.033 0.000 1.019 566 T CA -0.134 61.906 62.100 -0.100 0.000 0.921 566 T CB 0.265 69.106 68.868 -0.044 0.000 1.053 566 T HN -0.045 nan 8.240 nan 0.000 0.533 567 I N 1.515 122.080 120.570 -0.010 0.000 2.512 567 I HA 0.580 4.750 4.170 -0.000 0.000 0.287 567 I C -0.733 175.402 176.117 0.030 0.000 1.069 567 I CA -0.998 60.334 61.300 0.054 0.000 1.056 567 I CB 1.990 40.058 38.000 0.112 0.000 1.229 567 I HN 0.009 nan 8.210 nan 0.000 0.429 568 R N 4.921 125.391 120.500 -0.050 0.000 2.663 568 R HA 0.489 4.828 4.340 -0.000 0.000 0.267 568 R C -3.026 173.173 176.300 -0.169 0.000 1.038 568 R CA -1.835 54.081 56.100 -0.307 0.000 0.886 568 R CB 2.250 32.447 30.300 -0.171 0.000 1.249 568 R HN 0.185 nan 8.270 nan 0.000 0.463 569 P HA 0.235 nan 4.420 nan 0.000 0.274 569 P C -0.673 176.626 177.300 -0.002 0.000 1.237 569 P CA -0.391 62.665 63.100 -0.072 0.000 0.793 569 P CB 0.786 32.424 31.700 -0.103 0.000 0.977 570 I N 1.068 121.638 120.570 -0.000 0.000 2.607 570 I HA 0.277 4.446 4.170 -0.000 0.000 0.305 570 I C -0.114 175.915 176.117 -0.147 0.000 0.995 570 I CA -0.971 60.224 61.300 -0.175 0.000 1.148 570 I CB 1.232 38.951 38.000 -0.468 0.000 1.323 570 I HN 0.336 nan 8.210 nan 0.000 0.461 571 c N 6.126 124.626 118.600 -0.167 0.000 2.700 571 c HA 0.345 4.915 4.570 -0.000 0.000 0.397 571 c C 0.241 174.251 174.090 -0.132 0.000 1.301 571 c CA -0.234 56.016 56.329 -0.131 0.000 2.219 571 c CB -0.027 42.417 42.510 -0.111 0.000 2.699 571 c HN 0.521 nan 8.230 nan 0.000 0.669 572 L N 2.421 123.552 121.223 -0.153 0.000 2.333 572 L HA 0.465 4.805 4.340 -0.000 0.000 0.263 572 L C -2.313 174.434 176.870 -0.206 0.000 1.014 572 L CA -1.711 53.032 54.840 -0.162 0.000 0.820 572 L CB 1.946 43.891 42.059 -0.189 0.000 1.352 572 L HN 0.352 nan 8.230 nan 0.000 0.421 573 P HA 0.102 nan 4.420 nan 0.000 0.272 573 P C -0.392 176.686 177.300 -0.371 0.000 1.240 573 P CA -0.358 62.561 63.100 -0.302 0.000 0.791 573 P CB 0.424 31.737 31.700 -0.644 0.000 0.978 574 c N -0.050 118.364 118.600 -0.310 0.000 3.899 574 c HA -0.080 4.490 4.570 -0.000 0.000 0.297 574 c C 0.650 174.581 174.090 -0.264 0.000 1.371 574 c CA 1.347 57.547 56.329 -0.216 0.000 2.088 574 c CB -3.156 39.242 42.510 -0.187 0.000 1.346 574 c HN 0.835 nan 8.230 nan 0.000 0.658 575 T N -4.086 110.288 114.554 -0.301 0.000 2.903 575 T HA 0.532 4.882 4.350 -0.000 0.000 0.299 575 T C 0.761 175.345 174.700 -0.194 0.000 1.093 575 T CA -0.510 61.364 62.100 -0.377 0.000 1.002 575 T CB 1.470 69.996 68.868 -0.571 0.000 1.127 575 T HN 0.383 nan 8.240 nan 0.000 0.488 576 E N 1.390 121.507 120.200 -0.138 0.000 2.130 576 E HA -0.120 4.229 4.350 -0.000 0.000 0.196 576 E C 2.214 178.760 176.600 -0.090 0.000 0.998 576 E CA 1.451 57.803 56.400 -0.081 0.000 0.806 576 E CB -0.570 29.103 29.700 -0.046 0.000 0.738 576 E HN 0.877 nan 8.360 nan 0.000 0.459 577 G N 0.544 109.275 108.800 -0.116 0.000 2.446 577 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.217 577 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.217 577 G C 1.667 176.507 174.900 -0.100 0.000 1.168 577 G CA 1.367 46.407 45.100 -0.100 0.000 0.771 577 G HN 0.194 nan 8.290 nan 0.000 0.551 578 T N 0.900 115.380 114.554 -0.123 0.000 2.812 578 T HA -0.074 4.276 4.350 -0.000 0.000 0.264 578 T C 2.675 177.322 174.700 -0.087 0.000 1.042 578 T CA 1.692 63.729 62.100 -0.105 0.000 1.140 578 T CB -0.529 68.270 68.868 -0.113 0.000 0.870 578 T HN 0.298 nan 8.240 nan 0.000 0.445 579 T N 1.604 116.108 114.554 -0.082 0.000 2.721 579 T HA -0.153 4.197 4.350 -0.000 0.000 0.268 579 T C 1.997 176.650 174.700 -0.077 0.000 1.038 579 T CA 1.298 63.358 62.100 -0.066 0.000 1.145 579 T CB -0.157 68.678 68.868 -0.054 0.000 0.858 579 T HN 0.288 nan 8.240 nan 0.000 0.459 580 R N -0.047 120.404 120.500 -0.082 0.000 2.280 580 R HA 0.360 4.699 4.340 -0.000 0.000 0.195 580 R C 2.488 178.714 176.300 -0.123 0.000 0.935 580 R CA 0.508 56.552 56.100 -0.094 0.000 1.033 580 R CB -0.038 30.220 30.300 -0.069 0.000 0.964 580 R HN 0.341 nan 8.270 nan 0.000 0.489 581 A N 0.428 123.182 122.820 -0.109 0.000 2.016 581 A HA -0.007 4.312 4.320 -0.000 0.000 0.217 581 A C 1.666 179.160 177.584 -0.150 0.000 1.162 581 A CA 0.801 52.770 52.037 -0.114 0.000 0.662 581 A CB -0.121 18.829 19.000 -0.082 0.000 0.812 581 A HN 0.202 nan 8.150 nan 0.000 0.450 582 L N -0.879 120.260 121.223 -0.140 0.000 2.591 582 L HA 0.077 4.417 4.340 -0.000 0.000 0.228 582 L C 0.288 177.043 176.870 -0.191 0.000 1.133 582 L CA -0.306 54.446 54.840 -0.147 0.000 0.880 582 L CB -0.053 41.946 42.059 -0.100 0.000 1.033 582 L HN 0.275 nan 8.230 nan 0.000 0.450 583 R N -0.159 120.190 120.500 -0.252 0.000 3.525 583 R HA -0.147 4.193 4.340 -0.000 0.000 0.276 583 R C -0.628 175.571 176.300 -0.168 0.000 1.116 583 R CA 0.648 56.553 56.100 -0.325 0.000 0.745 583 R CB -2.769 27.202 30.300 -0.549 0.000 1.185 583 R HN 0.354 nan 8.270 nan 0.000 0.454 584 L N 0.798 121.952 121.223 -0.116 0.000 2.331 584 L HA 0.479 4.819 4.340 -0.000 0.000 0.275 584 L C -1.672 175.168 176.870 -0.050 0.000 1.022 584 L CA -2.285 52.513 54.840 -0.070 0.000 0.812 584 L CB 1.359 43.384 42.059 -0.057 0.000 1.257 584 L HN -0.259 nan 8.230 nan 0.000 0.435 585 P HA 0.004 nan 4.420 nan 0.000 0.261 585 P C -2.091 175.196 177.300 -0.022 0.000 1.173 585 P CA -0.658 62.429 63.100 -0.022 0.000 0.760 585 P CB 0.010 31.701 31.700 -0.015 0.000 0.783 586 P HA -0.150 nan 4.420 nan 0.000 0.224 586 P C 0.972 178.265 177.300 -0.012 0.000 1.142 586 P CA 1.423 64.512 63.100 -0.018 0.000 0.778 586 P CB -0.440 31.252 31.700 -0.014 0.000 0.764 587 T N -6.139 108.409 114.554 -0.009 0.000 3.194 587 T HA 0.050 4.400 4.350 -0.000 0.000 0.251 587 T C 0.689 175.387 174.700 -0.003 0.000 1.132 587 T CA -0.019 62.079 62.100 -0.005 0.000 1.028 587 T CB -1.169 67.697 68.868 -0.003 0.000 0.976 587 T HN -0.049 nan 8.240 nan 0.000 0.535 588 T N 4.082 118.632 114.554 -0.007 0.000 2.853 588 T HA 0.318 4.668 4.350 -0.000 0.000 0.298 588 T C 1.035 175.738 174.700 0.005 0.000 0.978 588 T CA -0.001 62.097 62.100 -0.003 0.000 1.152 588 T CB 0.892 69.754 68.868 -0.010 0.000 0.914 588 T HN 0.672 nan 8.240 nan 0.000 0.539 589 T N -0.045 114.517 114.554 0.014 0.000 2.793 589 T HA 0.101 4.451 4.350 -0.000 0.000 0.299 589 T C 1.835 176.556 174.700 0.035 0.000 1.038 589 T CA -0.476 61.638 62.100 0.023 0.000 0.948 589 T CB 0.216 69.101 68.868 0.028 0.000 1.231 589 T HN 0.685 nan 8.240 nan 0.000 0.538 590 c N -0.237 118.391 118.600 0.046 0.000 2.500 590 c HA 0.074 4.644 4.570 -0.000 0.000 0.279 590 c C 2.897 177.067 174.090 0.134 0.000 1.288 590 c CA 1.304 57.672 56.329 0.065 0.000 1.710 590 c CB -1.447 41.094 42.510 0.052 0.000 2.052 590 c HN 1.023 nan 8.230 nan 0.000 0.488 591 Q N 0.780 120.649 119.800 0.115 0.000 2.084 591 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 591 Q C 2.159 178.217 176.000 0.096 0.000 0.978 591 Q CA 2.005 57.883 55.803 0.124 0.000 0.844 591 Q CB -0.421 28.364 28.738 0.078 0.000 0.898 591 Q HN 0.775 nan 8.270 nan 0.000 0.426 592 Q N -0.612 119.227 119.800 0.064 0.000 2.368 592 Q HA -0.189 4.150 4.340 -0.000 0.000 0.210 592 Q C 1.939 177.965 176.000 0.043 0.000 0.982 592 Q CA 1.166 56.992 55.803 0.037 0.000 0.884 592 Q CB -0.008 28.743 28.738 0.022 0.000 0.933 592 Q HN 0.516 nan 8.270 nan 0.000 0.460 593 Q N 0.217 120.074 119.800 0.096 0.000 2.163 593 Q HA -0.069 4.271 4.340 -0.000 0.000 0.198 593 Q C 1.803 177.875 176.000 0.119 0.000 0.954 593 Q CA 0.681 56.561 55.803 0.129 0.000 0.851 593 Q CB 0.128 28.983 28.738 0.195 0.000 0.928 593 Q HN 0.220 nan 8.270 nan 0.000 0.459 594 K N 1.183 121.649 120.400 0.111 0.000 2.025 594 K HA -0.155 4.165 4.320 -0.000 0.000 0.207 594 K C 1.415 177.901 176.600 -0.190 0.000 1.049 594 K CA 1.205 57.337 56.287 -0.259 0.000 0.933 594 K CB 0.187 32.542 32.500 -0.242 0.000 0.714 594 K HN 0.107 nan 8.250 nan 0.000 0.438 595 E N -0.157 119.995 120.200 -0.080 0.000 2.515 595 E HA -0.178 4.172 4.350 -0.000 0.000 0.201 595 E C 1.293 177.854 176.600 -0.065 0.000 1.071 595 E CA 0.812 57.172 56.400 -0.068 0.000 0.880 595 E CB 0.246 29.926 29.700 -0.033 0.000 0.828 595 E HN 0.297 nan 8.360 nan 0.000 0.540 596 E N -0.091 120.071 120.200 -0.063 0.000 2.364 596 E HA 0.066 4.416 4.350 -0.000 0.000 0.203 596 E C 1.521 178.076 176.600 -0.075 0.000 0.888 596 E CA 0.240 56.606 56.400 -0.057 0.000 0.989 596 E CB 0.038 29.716 29.700 -0.037 0.000 0.985 596 E HN 0.154 nan 8.360 nan 0.000 0.499 597 L N -0.113 121.054 121.223 -0.093 0.000 2.145 597 L HA 0.260 4.600 4.340 -0.000 0.000 0.201 597 L C 0.743 177.519 176.870 -0.155 0.000 1.075 597 L CA 0.564 55.341 54.840 -0.106 0.000 0.773 597 L CB 0.259 42.282 42.059 -0.061 0.000 0.936 597 L HN 0.095 nan 8.230 nan 0.000 0.451 598 L N 1.388 122.466 121.223 -0.240 0.000 2.784 598 L HA 0.309 4.648 4.340 -0.000 0.000 0.241 598 L C -2.152 174.613 176.870 -0.174 0.000 1.352 598 L CA -1.574 53.130 54.840 -0.227 0.000 0.911 598 L CB 0.368 42.223 42.059 -0.340 0.000 1.227 598 L HN -0.021 nan 8.230 nan 0.000 0.501 599 P HA 0.017 nan 4.420 nan 0.000 0.280 599 P C -0.184 177.072 177.300 -0.074 0.000 1.278 599 P CA -0.381 62.666 63.100 -0.088 0.000 0.787 599 P CB 0.976 32.635 31.700 -0.068 0.000 1.163 600 A N 0.314 123.099 122.820 -0.058 0.000 2.798 600 A HA 0.370 4.690 4.320 -0.000 0.000 0.316 600 A C 0.306 177.863 177.584 -0.046 0.000 1.506 600 A CA 0.094 52.102 52.037 -0.048 0.000 1.162 600 A CB -0.892 18.084 19.000 -0.040 0.000 1.138 600 A HN 0.556 nan 8.150 nan 0.000 0.532 601 Q N 0.716 120.491 119.800 -0.042 0.000 2.907 601 Q HA 0.165 4.505 4.340 -0.000 0.000 0.310 601 Q C -1.961 174.029 176.000 -0.017 0.000 0.861 601 Q CA -0.822 54.959 55.803 -0.037 0.000 0.769 601 Q CB 1.031 29.747 28.738 -0.037 0.000 1.465 601 Q HN 0.483 nan 8.270 nan 0.000 0.449 602 D N 1.945 122.347 120.400 0.003 0.000 2.365 602 D HA 0.342 4.982 4.640 -0.000 0.000 0.237 602 D C -0.628 175.771 176.300 0.164 0.000 1.190 602 D CA 0.265 54.306 54.000 0.068 0.000 0.867 602 D CB 0.346 41.158 40.800 0.020 0.000 1.050 602 D HN 0.309 nan 8.370 nan 0.000 0.491 603 I N 2.211 122.856 120.570 0.124 0.000 2.315 603 I HA 0.089 4.259 4.170 -0.000 0.000 0.291 603 I C 0.910 177.017 176.117 -0.016 0.000 1.006 603 I CA -0.592 60.736 61.300 0.047 0.000 1.265 603 I CB 0.987 38.972 38.000 -0.026 0.000 1.387 603 I HN -0.045 nan 8.210 nan 0.000 0.475 604 K N 5.957 126.282 120.400 -0.126 0.000 2.368 604 K HA 0.602 4.922 4.320 -0.000 0.000 0.282 604 K C -0.522 175.919 176.600 -0.265 0.000 1.035 604 K CA 0.018 56.044 56.287 -0.435 0.000 0.973 604 K CB 0.637 32.914 32.500 -0.372 0.000 0.957 604 K HN 0.800 nan 8.250 nan 0.000 0.474 605 A N 3.436 126.092 122.820 -0.273 0.000 2.529 605 A HA 0.714 5.034 4.320 -0.000 0.000 0.296 605 A C -1.842 175.696 177.584 -0.077 0.000 1.205 605 A CA -0.889 51.070 52.037 -0.130 0.000 0.671 605 A CB 0.856 19.796 19.000 -0.101 0.000 1.301 605 A HN 0.630 nan 8.150 nan 0.000 0.450 606 L N -2.424 118.805 121.223 0.010 0.000 2.540 606 L HA 1.012 5.352 4.340 -0.000 0.000 0.256 606 L C -0.787 176.186 176.870 0.171 0.000 1.001 606 L CA -0.674 54.195 54.840 0.050 0.000 0.843 606 L CB 1.452 43.535 42.059 0.039 0.000 1.436 606 L HN 1.339 nan 8.230 nan 0.000 0.410 607 F N -0.794 119.184 119.950 0.047 0.000 2.626 607 F HA 0.948 5.474 4.527 -0.000 0.000 0.311 607 F C -1.413 174.441 175.800 0.090 0.000 1.088 607 F CA -1.328 56.719 58.000 0.079 0.000 0.949 607 F CB 1.682 40.721 39.000 0.065 0.000 1.322 607 F HN 0.333 nan 8.300 nan 0.000 0.461 608 V N 1.973 122.039 119.914 0.254 0.000 2.370 608 V HA 0.630 4.750 4.120 -0.000 0.000 0.283 608 V C -0.368 175.815 176.094 0.149 0.000 1.023 608 V CA -0.462 61.883 62.300 0.075 0.000 0.857 608 V CB 0.636 32.503 31.823 0.073 0.000 0.985 608 V HN 0.911 nan 8.190 nan 0.000 0.443 609 S N 3.390 119.102 115.700 0.019 0.000 2.532 609 S HA 0.483 4.953 4.470 -0.000 0.000 0.299 609 S C -0.631 173.982 174.600 0.023 0.000 1.105 609 S CA -0.633 57.631 58.200 0.106 0.000 1.018 609 S CB 1.550 64.847 63.200 0.162 0.000 1.021 609 S HN 0.897 nan 8.310 nan 0.000 0.483 610 E N 2.310 122.536 120.200 0.044 0.000 2.343 610 E HA 0.329 4.679 4.350 -0.000 0.000 0.269 610 E C -0.670 175.948 176.600 0.029 0.000 1.047 610 E CA -0.187 56.223 56.400 0.017 0.000 0.874 610 E CB 0.658 30.376 29.700 0.031 0.000 1.033 610 E HN 0.695 nan 8.360 nan 0.000 0.409 611 E N 4.287 124.496 120.200 0.015 0.000 2.565 611 E HA 0.050 4.399 4.350 -0.000 0.000 0.343 611 E C -1.315 175.296 176.600 0.019 0.000 0.968 611 E CA -0.116 56.297 56.400 0.022 0.000 0.773 611 E CB 0.299 30.010 29.700 0.018 0.000 1.513 611 E HN 0.765 nan 8.360 nan 0.000 0.384 612 E N 3.328 123.544 120.200 0.026 0.000 2.358 612 E HA -0.195 4.155 4.350 -0.000 0.000 0.246 612 E C -0.740 175.873 176.600 0.023 0.000 1.127 612 E CA 0.813 57.228 56.400 0.025 0.000 0.726 612 E CB -0.937 28.777 29.700 0.023 0.000 1.272 612 E HN 0.736 nan 8.360 nan 0.000 0.390 613 K N -0.754 119.662 120.400 0.027 0.000 3.150 613 K HA -0.232 4.088 4.320 -0.000 0.000 0.267 613 K C -0.512 176.099 176.600 0.020 0.000 1.028 613 K CA 1.218 57.524 56.287 0.032 0.000 0.753 613 K CB -0.645 31.876 32.500 0.036 0.000 1.288 613 K HN 0.269 nan 8.250 nan 0.000 0.473 614 K N 0.429 120.828 120.400 -0.002 0.000 2.527 614 K HA 0.428 4.748 4.320 -0.000 0.000 0.260 614 K C -0.650 175.904 176.600 -0.078 0.000 0.937 614 K CA -0.859 55.407 56.287 -0.034 0.000 0.826 614 K CB 1.701 34.185 32.500 -0.027 0.000 1.359 614 K HN -0.018 nan 8.250 nan 0.000 0.434 615 L N 2.527 123.661 121.223 -0.149 0.000 2.264 615 L HA 0.386 4.726 4.340 -0.000 0.000 0.289 615 L C -0.324 176.445 176.870 -0.168 0.000 1.044 615 L CA -0.306 54.409 54.840 -0.207 0.000 0.807 615 L CB 1.496 43.317 42.059 -0.396 0.000 1.192 615 L HN 0.615 nan 8.230 nan 0.000 0.425 616 T N 2.957 117.428 114.554 -0.139 0.000 2.856 616 T HA 0.426 4.775 4.350 -0.000 0.000 0.283 616 T C -0.062 174.537 174.700 -0.169 0.000 1.008 616 T CA -0.732 61.289 62.100 -0.131 0.000 0.997 616 T CB 1.706 70.513 68.868 -0.101 0.000 0.992 616 T HN 0.430 nan 8.240 nan 0.000 0.454 617 R N 2.560 122.967 120.500 -0.155 0.000 2.196 617 R HA 0.272 4.612 4.340 -0.000 0.000 0.340 617 R C -0.209 175.944 176.300 -0.245 0.000 1.043 617 R CA -0.677 55.319 56.100 -0.173 0.000 0.883 617 R CB 0.520 30.771 30.300 -0.082 0.000 1.078 617 R HN 0.247 nan 8.270 nan 0.000 0.462 618 K N 3.037 123.149 120.400 -0.480 0.000 2.253 618 K HA 0.104 4.424 4.320 -0.000 0.000 0.277 618 K C -0.183 176.199 176.600 -0.364 0.000 1.053 618 K CA -0.306 55.666 56.287 -0.524 0.000 0.892 618 K CB 1.560 33.469 32.500 -0.985 0.000 1.102 618 K HN 0.548 nan 8.250 nan 0.000 0.469 619 E N 2.957 123.070 120.200 -0.145 0.000 2.229 619 E HA 0.232 4.582 4.350 -0.000 0.000 0.283 619 E C -0.405 176.201 176.600 0.010 0.000 1.030 619 E CA -0.644 55.712 56.400 -0.073 0.000 0.836 619 E CB 0.795 30.454 29.700 -0.068 0.000 1.068 619 E HN 0.372 nan 8.360 nan 0.000 0.401 620 V N 1.780 121.706 119.914 0.020 0.000 3.126 620 V HA 0.582 4.701 4.120 -0.000 0.000 0.314 620 V C -1.291 174.779 176.094 -0.041 0.000 1.138 620 V CA -0.952 61.414 62.300 0.111 0.000 1.034 620 V CB 1.226 33.179 31.823 0.218 0.000 1.075 620 V HN 0.611 nan 8.190 nan 0.000 0.442 621 Y N 0.649 120.988 120.300 0.064 0.000 2.364 621 Y HA 0.706 5.255 4.550 -0.000 0.000 0.340 621 Y C 0.196 176.090 175.900 -0.010 0.000 0.975 621 Y CA -0.685 57.436 58.100 0.035 0.000 1.089 621 Y CB 1.939 40.438 38.460 0.066 0.000 1.192 621 Y HN 0.539 nan 8.280 nan 0.000 0.454 622 I N 4.918 125.540 120.570 0.087 0.000 2.371 622 I HA 0.207 4.377 4.170 -0.000 0.000 0.290 622 I C -0.471 175.660 176.117 0.023 0.000 1.028 622 I CA -0.923 60.386 61.300 0.015 0.000 1.345 622 I CB 0.519 38.497 38.000 -0.037 0.000 1.407 622 I HN 0.331 nan 8.210 nan 0.000 0.501 623 K N 5.339 125.728 120.400 -0.018 0.000 2.292 623 K HA 0.179 4.499 4.320 -0.000 0.000 0.290 623 K C -0.127 176.451 176.600 -0.037 0.000 1.083 623 K CA -0.018 56.250 56.287 -0.033 0.000 0.918 623 K CB 0.271 32.733 32.500 -0.064 0.000 1.089 623 K HN 0.458 nan 8.250 nan 0.000 0.473 624 N N 1.349 120.032 118.700 -0.030 0.000 2.387 624 N HA 0.150 4.890 4.740 -0.000 0.000 0.259 624 N C 0.027 175.517 175.510 -0.034 0.000 1.369 624 N CA -0.104 52.927 53.050 -0.032 0.000 0.867 624 N CB 0.846 39.309 38.487 -0.041 0.000 1.341 624 N HN 0.626 nan 8.380 nan 0.000 0.495 625 G N -0.395 108.384 108.800 -0.036 0.000 3.356 625 G HA2 0.105 4.065 3.960 -0.000 0.000 0.178 625 G HA3 0.105 4.065 3.960 -0.000 0.000 0.178 625 G C 0.315 175.192 174.900 -0.037 0.000 1.130 625 G CA 0.099 45.175 45.100 -0.039 0.000 0.800 625 G HN 0.241 nan 8.290 nan 0.000 0.669 626 D N 0.250 120.623 120.400 -0.045 0.000 2.264 626 D HA -0.056 4.584 4.640 -0.000 0.000 0.208 626 D C 1.629 177.903 176.300 -0.043 0.000 0.966 626 D CA 0.851 54.826 54.000 -0.042 0.000 0.864 626 D CB -0.040 40.731 40.800 -0.048 0.000 0.933 626 D HN 0.418 nan 8.370 nan 0.000 0.499 627 K N -0.013 120.355 120.400 -0.052 0.000 2.426 627 K HA 0.052 4.372 4.320 -0.000 0.000 0.193 627 K C 1.895 178.468 176.600 -0.046 0.000 1.028 627 K CA -0.019 56.235 56.287 -0.055 0.000 1.047 627 K CB 0.316 32.771 32.500 -0.076 0.000 0.821 627 K HN 0.064 nan 8.250 nan 0.000 0.513 628 K N 1.195 121.574 120.400 -0.036 0.000 2.009 628 K HA -0.150 4.169 4.320 -0.000 0.000 0.210 628 K C 2.059 178.652 176.600 -0.013 0.000 1.049 628 K CA 1.696 57.967 56.287 -0.027 0.000 0.929 628 K CB -0.295 32.196 32.500 -0.014 0.000 0.714 628 K HN 0.210 nan 8.250 nan 0.000 0.440 629 G N 0.549 109.346 108.800 -0.005 0.000 2.545 629 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.217 629 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.217 629 G C 1.524 176.429 174.900 0.008 0.000 1.218 629 G CA 1.571 46.675 45.100 0.007 0.000 0.787 629 G HN 0.524 nan 8.290 nan 0.000 0.571 630 S N -0.822 114.878 115.700 -0.000 0.000 2.440 630 S HA -0.181 4.289 4.470 -0.000 0.000 0.238 630 S C 2.342 176.947 174.600 0.009 0.000 1.010 630 S CA 1.663 59.868 58.200 0.009 0.000 0.972 630 S CB -0.838 62.361 63.200 -0.002 0.000 0.774 630 S HN 0.469 nan 8.310 nan 0.000 0.501 631 c N 1.505 120.093 118.600 -0.020 0.000 2.486 631 c HA 0.158 4.728 4.570 -0.000 0.000 0.279 631 c C 2.627 176.701 174.090 -0.026 0.000 1.302 631 c CA 0.959 57.252 56.329 -0.059 0.000 1.720 631 c CB -1.267 41.170 42.510 -0.121 0.000 2.030 631 c HN 0.721 nan 8.230 nan 0.000 0.490 632 E N 0.107 120.324 120.200 0.028 0.000 2.106 632 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 632 E C 2.296 178.962 176.600 0.110 0.000 0.984 632 E CA 0.941 57.431 56.400 0.151 0.000 0.806 632 E CB -0.177 29.597 29.700 0.123 0.000 0.750 632 E HN 0.614 nan 8.360 nan 0.000 0.458 633 R N 0.889 121.421 120.500 0.052 0.000 2.193 633 R HA -0.108 4.232 4.340 -0.000 0.000 0.229 633 R C 0.892 177.184 176.300 -0.013 0.000 1.110 633 R CA 0.892 57.001 56.100 0.014 0.000 0.988 633 R CB -0.068 30.249 30.300 0.029 0.000 0.871 633 R HN 0.085 nan 8.270 nan 0.000 0.458 634 D N 0.372 120.818 120.400 0.077 0.000 2.358 634 D HA 0.017 4.657 4.640 -0.000 0.000 0.241 634 D C 1.245 177.587 176.300 0.071 0.000 1.094 634 D CA 0.302 54.407 54.000 0.174 0.000 0.907 634 D CB 0.206 41.140 40.800 0.223 0.000 0.893 634 D HN 0.238 nan 8.370 nan 0.000 0.528 635 A N 0.913 123.706 122.820 -0.046 0.000 1.872 635 A HA -0.182 4.138 4.320 -0.000 0.000 0.214 635 A C 1.885 179.361 177.584 -0.180 0.000 1.187 635 A CA 0.819 52.803 52.037 -0.089 0.000 0.614 635 A CB -0.519 18.405 19.000 -0.126 0.000 0.826 635 A HN 0.355 nan 8.150 nan 0.000 0.442 636 Q N -1.428 118.168 119.800 -0.339 0.000 2.547 636 Q HA -0.084 4.256 4.340 -0.000 0.000 0.217 636 Q C -0.109 175.715 176.000 -0.294 0.000 0.978 636 Q CA 0.803 56.414 55.803 -0.320 0.000 0.962 636 Q CB -0.465 28.059 28.738 -0.357 0.000 0.990 636 Q HN 0.772 nan 8.270 nan 0.000 0.538 637 Y N -0.090 120.283 120.300 0.122 0.000 2.612 637 Y HA 0.510 5.060 4.550 -0.000 0.000 0.250 637 Y C 0.735 176.757 175.900 0.203 0.000 1.175 637 Y CA -1.006 57.188 58.100 0.156 0.000 1.205 637 Y CB 0.176 38.749 38.460 0.189 0.000 1.201 637 Y HN 0.191 nan 8.280 nan 0.000 0.532 638 A N 1.000 123.971 122.820 0.252 0.000 2.286 638 A HA 0.578 4.898 4.320 -0.000 0.000 0.286 638 A C -2.458 175.331 177.584 0.342 0.000 1.097 638 A CA -1.716 50.472 52.037 0.252 0.000 0.821 638 A CB -0.061 18.976 19.000 0.062 0.000 1.076 638 A HN -0.025 nan 8.150 nan 0.000 0.490 639 P HA 0.289 nan 4.420 nan 0.000 0.264 639 P C 0.902 178.317 177.300 0.191 0.000 1.236 639 P CA 1.712 64.943 63.100 0.219 0.000 0.811 639 P CB 0.428 32.230 31.700 0.170 0.000 0.840 640 G N 2.911 111.775 108.800 0.108 0.000 2.424 640 G HA2 -0.319 3.640 3.960 -0.000 0.000 0.207 640 G HA3 -0.319 3.640 3.960 -0.000 0.000 0.207 640 G C 0.789 175.628 174.900 -0.102 0.000 1.061 640 G CA -0.382 44.677 45.100 -0.069 0.000 0.657 640 G HN 0.455 nan 8.290 nan 0.000 0.508 641 Y N 2.745 123.023 120.300 -0.037 0.000 2.632 641 Y HA 0.084 4.634 4.550 -0.000 0.000 0.301 641 Y C 2.344 178.215 175.900 -0.049 0.000 1.172 641 Y CA 0.416 58.477 58.100 -0.065 0.000 1.328 641 Y CB -0.208 38.194 38.460 -0.098 0.000 1.016 641 Y HN 0.225 nan 8.280 nan 0.000 0.529 642 D N 1.502 121.972 120.400 0.115 0.000 2.269 642 D HA -0.258 4.381 4.640 -0.000 0.000 0.191 642 D C 1.495 177.814 176.300 0.031 0.000 1.007 642 D CA 1.843 55.887 54.000 0.073 0.000 0.855 642 D CB -0.418 40.423 40.800 0.067 0.000 0.979 642 D HN 0.377 nan 8.370 nan 0.000 0.452 643 K N 0.508 120.914 120.400 0.010 0.000 2.589 643 K HA -0.027 4.293 4.320 -0.000 0.000 0.195 643 K C 0.370 176.962 176.600 -0.014 0.000 1.042 643 K CA -0.001 56.282 56.287 -0.007 0.000 0.940 643 K CB -0.090 32.396 32.500 -0.024 0.000 0.776 643 K HN 0.013 nan 8.250 nan 0.000 0.487 644 V N 2.667 122.578 119.914 -0.007 0.000 2.446 644 V HA -0.034 4.086 4.120 -0.000 0.000 0.276 644 V C 1.091 177.173 176.094 -0.020 0.000 1.030 644 V CA 0.370 62.662 62.300 -0.013 0.000 1.033 644 V CB 0.868 32.695 31.823 0.007 0.000 0.993 644 V HN 0.259 nan 8.190 nan 0.000 0.477 645 K N 2.393 122.780 120.400 -0.020 0.000 2.137 645 K HA 0.045 4.364 4.320 -0.000 0.000 0.202 645 K C 0.388 176.978 176.600 -0.017 0.000 1.052 645 K CA 0.512 56.789 56.287 -0.017 0.000 0.961 645 K CB 0.243 32.735 32.500 -0.015 0.000 0.741 645 K HN 0.541 nan 8.250 nan 0.000 0.452 646 D N 0.612 121.002 120.400 -0.016 0.000 2.464 646 D HA 0.202 4.842 4.640 -0.000 0.000 0.243 646 D C 0.813 177.108 176.300 -0.008 0.000 1.104 646 D CA -0.280 53.714 54.000 -0.010 0.000 0.883 646 D CB 0.626 41.422 40.800 -0.006 0.000 1.050 646 D HN -0.050 nan 8.370 nan 0.000 0.524 647 I N 1.566 122.127 120.570 -0.015 0.000 2.300 647 I HA -0.346 3.824 4.170 -0.000 0.000 0.252 647 I C 2.229 178.351 176.117 0.008 0.000 1.119 647 I CA 1.281 62.569 61.300 -0.019 0.000 1.384 647 I CB -0.286 37.693 38.000 -0.035 0.000 1.062 647 I HN 0.350 nan 8.210 nan 0.000 0.426 648 S N 0.214 115.929 115.700 0.025 0.000 2.500 648 S HA -0.178 4.292 4.470 -0.000 0.000 0.239 648 S C 1.557 176.206 174.600 0.082 0.000 0.989 648 S CA 1.007 59.241 58.200 0.056 0.000 0.951 648 S CB -0.478 62.755 63.200 0.054 0.000 0.759 648 S HN 0.553 nan 8.310 nan 0.000 0.523 649 E N 0.462 120.692 120.200 0.050 0.000 2.418 649 E HA -0.008 4.341 4.350 -0.000 0.000 0.197 649 E C 1.661 178.328 176.600 0.112 0.000 1.026 649 E CA 1.009 57.430 56.400 0.034 0.000 0.862 649 E CB 0.128 29.809 29.700 -0.031 0.000 0.799 649 E HN 0.757 nan 8.360 nan 0.000 0.518 650 V N -4.005 116.005 119.914 0.160 0.000 3.431 650 V HA 0.176 4.296 4.120 -0.000 0.000 0.255 650 V C 0.693 176.856 176.094 0.115 0.000 1.403 650 V CA -0.413 62.041 62.300 0.256 0.000 1.101 650 V CB 0.764 32.675 31.823 0.147 0.000 0.891 650 V HN -0.160 nan 8.190 nan 0.000 0.446 651 V N 3.949 123.875 119.914 0.022 0.000 2.320 651 V HA 0.526 4.646 4.120 -0.000 0.000 0.265 651 V C 0.595 176.783 176.094 0.157 0.000 1.048 651 V CA 0.664 62.923 62.300 -0.068 0.000 0.865 651 V CB 0.652 32.418 31.823 -0.095 0.000 1.043 651 V HN 0.757 nan 8.190 nan 0.000 0.474 652 T N 3.054 117.829 114.554 0.370 0.000 2.944 652 T HA 0.452 4.802 4.350 -0.000 0.000 0.284 652 T C -1.832 173.035 174.700 0.278 0.000 1.010 652 T CA -2.198 60.090 62.100 0.312 0.000 1.025 652 T CB 1.817 70.828 68.868 0.238 0.000 1.079 652 T HN 0.302 nan 8.240 nan 0.000 0.516 653 P HA -0.022 nan 4.420 nan 0.000 0.222 653 P C 0.293 177.618 177.300 0.042 0.000 1.142 653 P CA 0.769 63.927 63.100 0.096 0.000 0.788 653 P CB -0.022 31.720 31.700 0.070 0.000 0.767 654 R N -0.809 119.644 120.500 -0.079 0.000 4.306 654 R HA 0.350 4.690 4.340 -0.000 0.000 0.266 654 R C -0.656 175.428 176.300 -0.360 0.000 1.624 654 R CA 0.021 55.968 56.100 -0.254 0.000 1.487 654 R CB -0.777 29.180 30.300 -0.571 0.000 1.441 654 R HN 0.065 nan 8.270 nan 0.000 0.750 655 F N -0.230 119.740 119.950 0.034 0.000 2.615 655 F HA 0.411 4.937 4.527 -0.000 0.000 0.312 655 F C -0.429 175.428 175.800 0.095 0.000 1.119 655 F CA -0.909 57.155 58.000 0.106 0.000 0.979 655 F CB 1.499 40.611 39.000 0.188 0.000 1.266 655 F HN -0.122 nan 8.300 nan 0.000 0.444 656 L N 1.779 123.204 121.223 0.336 0.000 2.335 656 L HA 0.705 5.045 4.340 -0.000 0.000 0.268 656 L C -0.968 175.930 176.870 0.046 0.000 1.016 656 L CA -0.961 53.976 54.840 0.162 0.000 0.805 656 L CB 2.135 44.263 42.059 0.115 0.000 1.311 656 L HN 0.637 nan 8.230 nan 0.000 0.456 657 c N 0.915 119.467 118.600 -0.081 0.000 2.516 657 c HA 0.680 5.250 4.570 -0.000 0.000 0.338 657 c C 0.189 174.158 174.090 -0.202 0.000 1.132 657 c CA -0.188 55.929 56.329 -0.354 0.000 1.310 657 c CB 0.619 42.886 42.510 -0.405 0.000 1.898 657 c HN 0.928 nan 8.230 nan 0.000 0.452 658 T N 2.201 116.633 114.554 -0.203 0.000 2.773 658 T HA 0.951 5.301 4.350 -0.000 0.000 0.278 658 T C 0.302 174.923 174.700 -0.132 0.000 1.011 658 T CA 0.424 62.480 62.100 -0.073 0.000 1.014 658 T CB 1.068 69.981 68.868 0.075 0.000 1.293 658 T HN 2.499 nan 8.240 nan 0.000 0.554 659 G N -1.366 107.416 108.800 -0.029 0.000 2.795 659 G HA2 0.447 4.407 3.960 -0.000 0.000 0.664 659 G HA3 0.447 4.407 3.960 -0.000 0.000 0.664 659 G C 0.349 175.223 174.900 -0.043 0.000 1.381 659 G CA 0.132 45.211 45.100 -0.035 0.000 0.853 659 G HN 2.813 nan 8.290 nan 0.000 0.545 660 G N -2.792 105.990 108.800 -0.029 0.000 2.466 660 G HA2 0.345 4.305 3.960 -0.000 0.000 0.316 660 G HA3 0.345 4.305 3.960 -0.000 0.000 0.316 660 G C 0.939 175.835 174.900 -0.007 0.000 1.270 660 G CA 1.470 46.552 45.100 -0.030 0.000 0.982 660 G HN 2.412 nan 8.290 nan 0.000 0.506 661 V N -3.633 116.267 119.914 -0.023 0.000 3.635 661 V HA 0.660 4.780 4.120 -0.000 0.000 0.266 661 V C 1.032 177.076 176.094 -0.083 0.000 1.316 661 V CA 1.586 63.871 62.300 -0.026 0.000 1.060 661 V CB 0.718 32.528 31.823 -0.021 0.000 0.820 661 V HN 1.672 nan 8.190 nan 0.000 0.447 662 S N 1.554 117.188 115.700 -0.111 0.000 2.437 662 S HA 0.648 5.118 4.470 -0.000 0.000 0.305 662 S C -1.686 172.779 174.600 -0.225 0.000 1.109 662 S CA -1.099 56.986 58.200 -0.192 0.000 1.099 662 S CB 1.822 64.932 63.200 -0.151 0.000 1.004 662 S HN 0.295 nan 8.310 nan 0.000 0.475 663 P HA 0.172 nan 4.420 nan 0.000 0.226 663 P C -0.922 175.831 177.300 -0.912 0.000 1.161 663 P CA 0.708 63.381 63.100 -0.712 0.000 0.804 663 P CB 0.115 31.216 31.700 -0.998 0.000 0.829 664 Y N -1.225 118.934 120.300 -0.235 0.000 2.576 664 Y HA 0.632 5.182 4.550 -0.000 0.000 0.346 664 Y C 0.309 176.184 175.900 -0.041 0.000 1.018 664 Y CA -2.217 55.800 58.100 -0.139 0.000 1.050 664 Y CB 0.672 39.052 38.460 -0.134 0.000 1.280 664 Y HN -0.276 nan 8.280 nan 0.000 0.474 665 A N 1.913 124.830 122.820 0.162 0.000 2.526 665 A HA 0.170 4.490 4.320 -0.000 0.000 0.267 665 A C -0.655 177.021 177.584 0.153 0.000 1.095 665 A CA 0.060 52.168 52.037 0.118 0.000 0.775 665 A CB -0.708 18.353 19.000 0.103 0.000 1.036 665 A HN 0.593 nan 8.150 nan 0.000 0.510 666 D N 3.760 124.240 120.400 0.134 0.000 2.177 666 D HA 0.475 5.115 4.640 -0.000 0.000 0.247 666 D C -2.061 174.321 176.300 0.137 0.000 1.063 666 D CA -1.123 52.974 54.000 0.162 0.000 0.867 666 D CB 1.289 42.186 40.800 0.162 0.000 1.168 666 D HN 0.360 nan 8.370 nan 0.000 0.445 667 P HA 0.106 nan 4.420 nan 0.000 0.272 667 P C -0.535 176.905 177.300 0.235 0.000 1.230 667 P CA -0.341 62.867 63.100 0.180 0.000 0.788 667 P CB 1.211 33.014 31.700 0.171 0.000 0.949 668 N N -0.212 118.601 118.700 0.189 0.000 2.404 668 N HA 0.250 4.990 4.740 -0.000 0.000 0.297 668 N C 0.145 175.733 175.510 0.129 0.000 1.163 668 N CA -0.351 52.757 53.050 0.098 0.000 0.864 668 N CB 1.463 39.956 38.487 0.011 0.000 1.247 668 N HN 0.444 nan 8.380 nan 0.000 0.510 669 T N -1.726 112.733 114.554 -0.159 0.000 2.898 669 T HA 0.293 4.643 4.350 -0.000 0.000 0.301 669 T C 0.686 175.379 174.700 -0.012 0.000 1.049 669 T CA -0.395 61.574 62.100 -0.218 0.000 1.095 669 T CB 0.205 68.797 68.868 -0.458 0.000 0.976 669 T HN 0.416 nan 8.240 nan 0.000 0.539 670 c N 1.709 120.352 118.600 0.071 0.000 2.534 670 c HA 0.491 5.061 4.570 -0.000 0.000 0.398 670 c C 2.405 176.536 174.090 0.068 0.000 1.609 670 c CA -0.951 55.425 56.329 0.077 0.000 1.916 670 c CB 0.645 43.218 42.510 0.106 0.000 1.954 670 c HN 1.045 nan 8.230 nan 0.000 0.508 671 R N 0.582 121.131 120.500 0.081 0.000 2.073 671 R HA 0.004 4.343 4.340 -0.000 0.000 0.229 671 R C 2.069 178.434 176.300 0.107 0.000 1.120 671 R CA 1.373 57.532 56.100 0.100 0.000 0.967 671 R CB -0.756 29.603 30.300 0.098 0.000 0.862 671 R HN 0.896 nan 8.270 nan 0.000 0.436 672 G N 0.795 109.652 108.800 0.095 0.000 2.708 672 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.210 672 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.210 672 G C 0.558 175.518 174.900 0.099 0.000 1.141 672 G CA 0.537 45.690 45.100 0.089 0.000 0.788 672 G HN 0.203 nan 8.290 nan 0.000 0.531 673 D N 0.075 120.542 120.400 0.112 0.000 2.392 673 D HA 0.063 4.703 4.640 -0.000 0.000 0.206 673 D C 1.655 178.026 176.300 0.118 0.000 1.046 673 D CA 0.173 54.253 54.000 0.132 0.000 0.865 673 D CB 0.324 41.226 40.800 0.171 0.000 0.969 673 D HN 0.327 nan 8.370 nan 0.000 0.509 674 S N -0.404 115.370 115.700 0.123 0.000 2.559 674 S HA 0.272 4.742 4.470 -0.000 0.000 0.282 674 S C 1.555 176.232 174.600 0.128 0.000 1.336 674 S CA 0.329 58.633 58.200 0.174 0.000 1.037 674 S CB 0.868 64.276 63.200 0.346 0.000 0.853 674 S HN 0.372 nan 8.310 nan 0.000 0.523 675 G N 1.049 109.942 108.800 0.154 0.000 2.168 675 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.263 675 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.263 675 G C 0.478 175.456 174.900 0.129 0.000 0.977 675 G CA 0.178 45.337 45.100 0.098 0.000 0.659 675 G HN 1.381 nan 8.290 nan 0.000 0.533 676 G N -0.247 108.646 108.800 0.156 0.000 2.528 676 G HA2 0.657 4.617 3.960 -0.000 0.000 0.289 676 G HA3 0.657 4.617 3.960 -0.000 0.000 0.289 676 G C -2.388 172.638 174.900 0.209 0.000 1.192 676 G CA -0.910 44.306 45.100 0.193 0.000 0.921 676 G HN 0.211 nan 8.290 nan 0.000 0.512 677 P HA 0.245 nan 4.420 nan 0.000 0.280 677 P C -0.665 176.741 177.300 0.177 0.000 1.244 677 P CA -0.551 62.662 63.100 0.189 0.000 0.784 677 P CB 1.336 33.149 31.700 0.188 0.000 0.913 678 L N 5.154 126.431 121.223 0.091 0.000 2.265 678 L HA 0.468 4.808 4.340 -0.000 0.000 0.289 678 L C -0.877 175.992 176.870 -0.001 0.000 1.033 678 L CA -0.171 54.676 54.840 0.011 0.000 0.814 678 L CB -0.198 41.746 42.059 -0.193 0.000 1.203 678 L HN 0.251 nan 8.230 nan 0.000 0.423 679 I N 5.063 125.649 120.570 0.028 0.000 2.603 679 I HA 0.472 4.641 4.170 -0.000 0.000 0.300 679 I C -0.739 175.376 176.117 -0.003 0.000 1.017 679 I CA -1.016 60.286 61.300 0.004 0.000 1.098 679 I CB 2.178 40.202 38.000 0.040 0.000 1.279 679 I HN 0.196 nan 8.210 nan 0.000 0.437 680 V N 4.334 124.230 119.914 -0.030 0.000 2.384 680 V HA 0.181 4.300 4.120 -0.000 0.000 0.287 680 V C 0.028 176.081 176.094 -0.068 0.000 1.020 680 V CA -0.506 61.762 62.300 -0.053 0.000 0.850 680 V CB 1.218 32.999 31.823 -0.069 0.000 0.987 680 V HN 0.691 nan 8.190 nan 0.000 0.436 681 H N 5.445 124.367 119.070 -0.246 0.000 2.652 681 H HA 0.368 4.924 4.556 -0.000 0.000 0.233 681 H C 0.008 175.119 175.328 -0.361 0.000 1.762 681 H CA -0.427 55.339 56.048 -0.471 0.000 1.285 681 H CB 0.292 29.723 29.762 -0.553 0.000 1.668 681 H HN 0.571 nan 8.280 nan 0.000 0.550 682 K N 2.482 122.692 120.400 -0.316 0.000 2.138 682 K HA 0.167 4.487 4.320 -0.000 0.000 0.263 682 K C 0.234 176.653 176.600 -0.302 0.000 0.965 682 K CA -0.678 55.429 56.287 -0.300 0.000 0.868 682 K CB 0.657 33.047 32.500 -0.183 0.000 1.083 682 K HN 0.533 nan 8.250 nan 0.000 0.443 683 R N 2.018 122.347 120.500 -0.285 0.000 3.405 683 R HA -0.215 4.125 4.340 -0.000 0.000 0.258 683 R C -0.026 176.149 176.300 -0.210 0.000 1.030 683 R CA 1.117 57.086 56.100 -0.218 0.000 0.691 683 R CB -3.331 26.858 30.300 -0.184 0.000 1.093 683 R HN 1.231 nan 8.270 nan 0.000 0.448 684 S N -2.662 112.830 115.700 -0.346 0.000 3.257 684 S HA -0.286 4.184 4.470 -0.000 0.000 0.300 684 S C 0.352 174.960 174.600 0.013 0.000 1.275 684 S CA 1.787 59.886 58.200 -0.168 0.000 1.023 684 S CB -0.684 62.505 63.200 -0.019 0.000 1.180 684 S HN 0.578 nan 8.310 nan 0.000 0.660 685 R N -0.202 120.250 120.500 -0.080 0.000 2.732 685 R HA 0.693 5.033 4.340 -0.000 0.000 0.278 685 R C -0.765 175.487 176.300 -0.080 0.000 0.976 685 R CA -0.593 55.524 56.100 0.029 0.000 0.963 685 R CB 0.780 31.080 30.300 0.000 0.000 1.150 685 R HN 0.328 nan 8.270 nan 0.000 0.478 686 F N 2.142 122.083 119.950 -0.015 0.000 2.361 686 F HA 0.419 4.946 4.527 -0.000 0.000 0.364 686 F C 0.283 175.936 175.800 -0.245 0.000 1.117 686 F CA -0.709 57.202 58.000 -0.148 0.000 1.071 686 F CB 0.894 39.676 39.000 -0.364 0.000 1.188 686 F HN 0.166 nan 8.300 nan 0.000 0.464 687 I N 2.484 123.015 120.570 -0.064 0.000 2.412 687 I HA 0.248 4.418 4.170 -0.000 0.000 0.296 687 I C -0.176 175.880 176.117 -0.103 0.000 0.987 687 I CA -0.596 60.648 61.300 -0.093 0.000 1.180 687 I CB 1.680 39.647 38.000 -0.055 0.000 1.340 687 I HN 0.519 nan 8.210 nan 0.000 0.455 688 Q N 4.461 124.190 119.800 -0.118 0.000 2.279 688 Q HA 0.363 4.703 4.340 -0.000 0.000 0.256 688 Q C 0.286 176.291 176.000 0.009 0.000 0.937 688 Q CA -0.352 55.406 55.803 -0.075 0.000 0.933 688 Q CB 1.358 30.044 28.738 -0.088 0.000 1.189 688 Q HN 0.713 nan 8.270 nan 0.000 0.417 689 V N 0.426 120.361 119.914 0.035 0.000 3.477 689 V HA 0.625 4.745 4.120 -0.000 0.000 0.297 689 V C 0.286 176.444 176.094 0.107 0.000 1.433 689 V CA 0.602 62.966 62.300 0.107 0.000 1.052 689 V CB 0.499 32.366 31.823 0.074 0.000 0.895 689 V HN 0.655 nan 8.190 nan 0.000 0.438 690 G N -0.701 108.142 108.800 0.071 0.000 2.559 690 G HA2 0.576 4.536 3.960 -0.000 0.000 0.291 690 G HA3 0.576 4.536 3.960 -0.000 0.000 0.291 690 G C -1.963 173.010 174.900 0.121 0.000 1.424 690 G CA -0.294 44.865 45.100 0.098 0.000 0.786 690 G HN 0.294 nan 8.290 nan 0.000 0.485 691 V N 1.092 121.106 119.914 0.167 0.000 2.444 691 V HA 0.363 4.483 4.120 -0.000 0.000 0.294 691 V C 0.378 176.620 176.094 0.247 0.000 1.022 691 V CA -0.618 61.795 62.300 0.189 0.000 0.850 691 V CB 1.508 33.433 31.823 0.170 0.000 0.992 691 V HN 0.668 nan 8.190 nan 0.000 0.426 692 I N 3.751 124.477 120.570 0.260 0.000 2.845 692 I HA -0.049 4.120 4.170 -0.000 0.000 0.290 692 I C 1.239 177.463 176.117 0.178 0.000 1.202 692 I CA 0.917 62.351 61.300 0.223 0.000 1.406 692 I CB 0.630 38.707 38.000 0.129 0.000 1.383 692 I HN 0.800 nan 8.210 nan 0.000 0.549 693 S N 7.951 123.703 115.700 0.087 0.000 2.755 693 S HA 0.315 4.785 4.470 -0.000 0.000 0.165 693 S C -0.400 174.219 174.600 0.032 0.000 0.723 693 S CA -0.349 57.980 58.200 0.216 0.000 0.867 693 S CB 0.451 63.885 63.200 0.391 0.000 0.740 693 S HN 0.669 nan 8.310 nan 0.000 0.568 694 W N 1.216 122.306 121.300 -0.350 0.000 2.799 694 W HA 0.781 5.441 4.660 -0.000 0.000 0.349 694 W C -0.123 176.212 176.519 -0.306 0.000 1.100 694 W CA -1.186 55.851 57.345 -0.513 0.000 1.174 694 W CB 0.239 29.054 29.460 -1.073 0.000 1.427 694 W HN 0.536 nan 8.180 nan 0.000 0.547 695 G N 0.083 108.815 108.800 -0.112 0.000 2.613 695 G HA2 0.466 4.426 3.960 -0.000 0.000 0.303 695 G HA3 0.466 4.426 3.960 -0.000 0.000 0.303 695 G C -0.674 174.217 174.900 -0.014 0.000 1.312 695 G CA -0.611 44.384 45.100 -0.175 0.000 1.036 695 G HN 0.391 nan 8.290 nan 0.000 0.513 696 V N -1.108 118.771 119.914 -0.059 0.000 3.379 696 V HA 0.210 4.330 4.120 -0.000 0.000 0.249 696 V C 0.171 176.282 176.094 0.029 0.000 1.184 696 V CA 0.431 62.751 62.300 0.032 0.000 1.106 696 V CB 0.803 32.616 31.823 -0.017 0.000 0.826 696 V HN 0.296 nan 8.190 nan 0.000 0.465 697 V N 0.496 120.390 119.914 -0.033 0.000 2.760 697 V HA 0.448 4.568 4.120 -0.000 0.000 0.309 697 V C -1.188 174.906 176.094 0.000 0.000 1.077 697 V CA -0.864 61.425 62.300 -0.017 0.000 0.910 697 V CB 2.230 33.999 31.823 -0.091 0.000 1.008 697 V HN 0.239 nan 8.190 nan 0.000 0.424 698 D N 2.301 122.721 120.400 0.032 0.000 2.304 698 D HA 0.433 5.073 4.640 -0.000 0.000 0.250 698 D C 0.202 176.522 176.300 0.033 0.000 1.107 698 D CA 0.350 54.372 54.000 0.037 0.000 0.885 698 D CB 2.027 42.859 40.800 0.053 0.000 1.192 698 D HN 0.356 nan 8.370 nan 0.000 0.436 699 V N 3.110 123.045 119.914 0.034 0.000 3.356 699 V HA 0.176 4.296 4.120 -0.000 0.000 0.274 699 V C -0.264 175.858 176.094 0.046 0.000 1.631 699 V CA -0.103 62.218 62.300 0.036 0.000 1.025 699 V CB -0.141 31.698 31.823 0.028 0.000 0.840 699 V HN 0.635 nan 8.190 nan 0.000 0.419 700 c N 3.489 122.120 118.600 0.052 0.000 2.585 700 c HA 0.474 5.043 4.570 -0.000 0.000 0.406 700 c C 0.576 174.698 174.090 0.053 0.000 1.312 700 c CA -0.328 56.036 56.329 0.058 0.000 1.924 700 c CB -0.413 42.137 42.510 0.067 0.000 2.578 700 c HN 0.507 nan 8.230 nan 0.000 0.580 708 Q N -0.347 119.474 119.800 0.035 0.000 1.692 708 Q HA -0.265 4.075 4.340 -0.000 0.000 0.332 708 Q C -0.784 175.236 176.000 0.034 0.000 0.767 708 Q CA 2.671 58.494 55.803 0.033 0.000 0.934 708 Q CB -1.120 27.637 28.738 0.032 0.000 2.756 708 Q HN 0.505 nan 8.270 nan 0.000 0.655 709 V N -0.118 119.816 119.914 0.032 0.000 3.065 709 V HA 0.020 4.140 4.120 -0.000 0.000 0.444 709 V C -2.480 173.630 176.094 0.025 0.000 0.682 709 V CA 0.014 62.329 62.300 0.025 0.000 1.979 709 V CB -0.332 31.505 31.823 0.023 0.000 2.461 709 V HN 0.719 nan 8.190 nan 0.000 0.490 710 P HA 0.393 nan 4.420 nan 0.000 0.264 710 P C 0.757 178.074 177.300 0.029 0.000 1.193 710 P CA 0.714 63.856 63.100 0.071 0.000 0.763 710 P CB 1.183 32.955 31.700 0.120 0.000 0.810 711 A N 3.197 126.050 122.820 0.055 0.000 2.032 711 A HA -0.221 4.099 4.320 -0.000 0.000 0.221 711 A C 1.664 179.273 177.584 0.042 0.000 1.165 711 A CA 1.570 53.627 52.037 0.034 0.000 0.645 711 A CB -1.230 17.789 19.000 0.032 0.000 0.807 711 A HN 0.803 nan 8.150 nan 0.000 0.453 712 H N -1.222 117.844 119.070 -0.008 0.000 2.533 712 H HA 0.518 5.074 4.556 -0.000 0.000 0.271 712 H C 1.328 176.679 175.328 0.037 0.000 1.000 712 H CA 0.704 56.762 56.048 0.017 0.000 1.149 712 H CB -0.644 29.112 29.762 -0.010 0.000 1.375 712 H HN 0.370 nan 8.280 nan 0.000 0.582 713 A N 1.907 124.513 122.820 -0.356 0.000 2.918 713 A HA 0.114 4.434 4.320 -0.000 0.000 0.167 713 A C 0.568 178.020 177.584 -0.219 0.000 1.069 713 A CA 1.281 53.116 52.037 -0.336 0.000 0.981 713 A CB -0.221 18.669 19.000 -0.183 0.000 0.875 713 A HN 0.628 nan 8.150 nan 0.000 0.559 714 R N -2.771 117.619 120.500 -0.183 0.000 4.220 714 R HA -0.054 4.286 4.340 -0.000 0.000 0.314 714 R C -1.941 174.164 176.300 -0.325 0.000 0.248 714 R CA 0.457 56.411 56.100 -0.243 0.000 1.043 714 R CB -1.188 28.954 30.300 -0.264 0.000 1.220 714 R HN 0.747 nan 8.270 nan 0.000 0.440 715 D N -0.424 119.668 120.400 -0.514 0.000 2.655 715 D HA 0.535 5.175 4.640 -0.000 0.000 0.229 715 D C -1.309 174.381 176.300 -1.017 0.000 1.229 715 D CA -0.281 53.349 54.000 -0.618 0.000 0.807 715 D CB 1.415 41.939 40.800 -0.460 0.000 1.514 715 D HN 0.175 nan 8.370 nan 0.000 0.444 716 F N 1.220 120.508 119.950 -1.104 0.000 2.529 716 F HA 0.386 4.913 4.527 -0.000 0.000 0.320 716 F C 0.368 175.694 175.800 -0.789 0.000 1.118 716 F CA -0.548 56.854 58.000 -0.996 0.000 0.915 716 F CB 1.779 39.882 39.000 -1.494 0.000 1.161 716 F HN 0.107 nan 8.300 nan 0.000 0.445 717 H N 3.710 122.866 119.070 0.142 0.000 2.690 717 H HA 0.431 4.987 4.556 -0.000 0.000 0.368 717 H C -0.673 174.763 175.328 0.181 0.000 1.150 717 H CA -0.875 55.257 56.048 0.140 0.000 1.174 717 H CB 2.535 32.313 29.762 0.028 0.000 1.684 717 H HN 0.289 nan 8.280 nan 0.000 0.538 718 I N 2.641 123.313 120.570 0.171 0.000 2.379 718 I HA -0.075 4.095 4.170 -0.000 0.000 0.290 718 I C 0.889 177.030 176.117 0.039 0.000 1.063 718 I CA -0.305 60.966 61.300 -0.048 0.000 1.351 718 I CB -0.254 37.701 38.000 -0.076 0.000 1.410 718 I HN 0.455 nan 8.210 nan 0.000 0.505 719 N N 7.162 125.870 118.700 0.013 0.000 2.416 719 N HA 0.030 4.770 4.740 -0.000 0.000 0.271 719 N C 0.960 176.552 175.510 0.137 0.000 1.245 719 N CA 0.107 53.212 53.050 0.092 0.000 0.940 719 N CB 0.696 39.232 38.487 0.082 0.000 1.175 719 N HN 0.517 nan 8.380 nan 0.000 0.483 720 L N 2.928 124.266 121.223 0.192 0.000 2.353 720 L HA -0.128 4.212 4.340 -0.000 0.000 0.220 720 L C 1.296 178.270 176.870 0.175 0.000 1.133 720 L CA 0.804 55.751 54.840 0.178 0.000 0.798 720 L CB -0.343 41.801 42.059 0.142 0.000 0.922 720 L HN 0.518 nan 8.230 nan 0.000 0.445 721 F N -0.347 119.637 119.950 0.057 0.000 2.699 721 F HA -0.099 4.428 4.527 -0.000 0.000 0.298 721 F C 2.296 178.141 175.800 0.076 0.000 1.154 721 F CA 0.545 58.582 58.000 0.062 0.000 1.457 721 F CB 0.173 39.196 39.000 0.039 0.000 1.106 721 F HN 0.150 nan 8.300 nan 0.000 0.585 722 Q N -0.411 119.518 119.800 0.215 0.000 2.281 722 Q HA 0.124 4.464 4.340 -0.000 0.000 0.215 722 Q C 1.261 177.381 176.000 0.199 0.000 0.867 722 Q CA 0.508 56.407 55.803 0.160 0.000 0.940 722 Q CB 0.801 29.578 28.738 0.064 0.000 1.111 722 Q HN 0.370 nan 8.270 nan 0.000 0.513 723 V N -2.394 117.651 119.914 0.219 0.000 3.043 723 V HA 0.223 4.343 4.120 -0.000 0.000 0.357 723 V C 1.528 177.819 176.094 0.328 0.000 1.372 723 V CA 0.013 62.518 62.300 0.342 0.000 1.214 723 V CB -0.702 31.337 31.823 0.361 0.000 1.224 723 V HN 0.065 nan 8.190 nan 0.000 0.507 724 L N 0.153 121.499 121.223 0.205 0.000 2.046 724 L HA -0.015 4.325 4.340 -0.000 0.000 0.208 724 L C 0.094 177.029 176.870 0.109 0.000 1.077 724 L CA 1.890 56.806 54.840 0.128 0.000 0.747 724 L CB -1.417 40.682 42.059 0.066 0.000 0.896 724 L HN 0.391 nan 8.230 nan 0.000 0.432 725 P HA -0.255 nan 4.420 nan 0.000 0.214 725 P C 1.154 178.506 177.300 0.087 0.000 1.169 725 P CA 1.558 64.715 63.100 0.095 0.000 0.908 725 P CB -0.209 31.573 31.700 0.135 0.000 0.791 726 W N -0.050 121.246 121.300 -0.007 0.000 2.392 726 W HA -0.089 4.571 4.660 -0.000 0.000 0.279 726 W C 1.902 178.374 176.519 -0.077 0.000 1.225 726 W CA 1.204 58.498 57.345 -0.084 0.000 1.233 726 W CB -0.822 28.574 29.460 -0.107 0.000 1.122 726 W HN -0.183 nan 8.180 nan 0.000 0.561 727 L N 0.600 121.782 121.223 -0.068 0.000 2.007 727 L HA -0.181 4.159 4.340 -0.000 0.000 0.205 727 L C 2.506 179.117 176.870 -0.432 0.000 1.073 727 L CA 1.784 56.473 54.840 -0.251 0.000 0.744 727 L CB -0.869 41.225 42.059 0.058 0.000 0.898 727 L HN -0.179 nan 8.230 nan 0.000 0.435 728 K N -0.148 119.961 120.400 -0.485 0.000 2.211 728 K HA -0.244 4.076 4.320 -0.000 0.000 0.204 728 K C 1.909 178.140 176.600 -0.615 0.000 1.047 728 K CA 1.444 57.188 56.287 -0.906 0.000 0.935 728 K CB -0.170 31.915 32.500 -0.692 0.000 0.728 728 K HN 0.317 nan 8.250 nan 0.000 0.452 729 E N 0.846 120.777 120.200 -0.449 0.000 2.072 729 E HA -0.097 4.253 4.350 -0.000 0.000 0.190 729 E C 1.078 177.432 176.600 -0.410 0.000 0.982 729 E CA 0.861 57.045 56.400 -0.359 0.000 0.803 729 E CB 0.376 29.916 29.700 -0.267 0.000 0.755 729 E HN 0.049 nan 8.360 nan 0.000 0.453 730 K N -0.208 119.846 120.400 -0.578 0.000 2.387 730 K HA 0.166 4.486 4.320 -0.000 0.000 0.198 730 K C 0.791 176.977 176.600 -0.691 0.000 1.022 730 K CA 0.183 56.108 56.287 -0.603 0.000 1.128 730 K CB 0.835 32.857 32.500 -0.797 0.000 0.853 730 K HN 0.185 nan 8.250 nan 0.000 0.523 731 L N 0.629 121.506 121.223 -0.577 0.000 3.217 731 L HA 0.080 4.420 4.340 -0.000 0.000 0.288 731 L C 1.809 178.523 176.870 -0.260 0.000 1.202 731 L CA 0.016 54.574 54.840 -0.471 0.000 1.027 731 L CB 0.408 42.268 42.059 -0.333 0.000 1.427 731 L HN 0.072 nan 8.230 nan 0.000 0.600 732 Q N -0.421 119.190 119.800 -0.315 0.000 2.297 732 Q HA -0.181 4.159 4.340 -0.000 0.000 0.208 732 Q C -0.248 175.685 176.000 -0.111 0.000 0.981 732 Q CA 1.466 57.120 55.803 -0.250 0.000 0.876 732 Q CB -0.310 28.272 28.738 -0.260 0.000 0.921 732 Q HN 0.291 nan 8.270 nan 0.000 0.446 733 D N 0.699 121.047 120.400 -0.088 0.000 3.139 733 D HA 0.125 4.765 4.640 -0.000 0.000 0.268 733 D C -0.137 176.170 176.300 0.012 0.000 1.322 733 D CA 0.009 53.986 54.000 -0.037 0.000 0.940 733 D CB 0.536 41.304 40.800 -0.052 0.000 1.050 733 D HN 0.203 nan 8.370 nan 0.000 0.503 734 E N -0.137 120.091 120.200 0.048 0.000 2.702 734 E HA 0.027 4.377 4.350 -0.000 0.000 0.225 734 E C -0.010 176.653 176.600 0.105 0.000 0.942 734 E CA -0.047 56.414 56.400 0.102 0.000 1.210 734 E CB 0.868 30.648 29.700 0.133 0.000 1.143 734 E HN -0.006 nan 8.360 nan 0.000 0.544 735 D N -0.091 120.359 120.400 0.085 0.000 2.978 735 D HA -0.201 4.438 4.640 -0.000 0.000 0.205 735 D C 1.166 177.507 176.300 0.068 0.000 1.093 735 D CA 0.710 54.753 54.000 0.072 0.000 1.006 735 D CB -1.214 39.625 40.800 0.066 0.000 1.116 735 D HN 0.254 nan 8.370 nan 0.000 0.419 736 L N -0.494 120.783 121.223 0.090 0.000 2.156 736 L HA 0.105 4.445 4.340 -0.000 0.000 0.208 736 L C 1.497 178.352 176.870 -0.024 0.000 1.095 736 L CA 0.880 55.725 54.840 0.008 0.000 0.770 736 L CB -0.644 41.396 42.059 -0.031 0.000 0.914 736 L HN 0.311 nan 8.230 nan 0.000 0.439 737 G N 0.565 109.473 108.800 0.179 0.000 2.920 737 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.210 737 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.210 737 G C -0.328 174.675 174.900 0.172 0.000 0.806 737 G CA -0.302 44.908 45.100 0.184 0.000 0.853 737 G HN 0.146 nan 8.290 nan 0.000 0.333 738 F N 1.184 121.099 119.950 -0.057 0.000 2.511 738 F HA 0.730 5.257 4.527 -0.000 0.000 0.340 738 F C 1.844 177.614 175.800 -0.051 0.000 1.094 738 F CA -1.316 56.645 58.000 -0.064 0.000 1.119 738 F CB 0.579 39.531 39.000 -0.081 0.000 1.775 738 F HN 0.273 nan 8.300 nan 0.000 0.536 739 L N -0.299 121.036 121.223 0.186 0.000 3.517 739 L HA 0.495 4.834 4.340 -0.000 0.000 0.192 739 L C 0.825 177.728 176.870 0.056 0.000 1.303 739 L CA -0.345 54.543 54.840 0.080 0.000 1.685 739 L CB -1.209 40.875 42.059 0.042 0.000 1.877 739 L HN 0.585 nan 8.230 nan 0.000 0.882 740 A N 0.000 122.847 122.820 0.045 0.000 2.254 740 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 740 A CA 0.000 52.054 52.037 0.029 0.000 0.836 740 A CB 0.000 19.020 19.000 0.033 0.000 0.831 740 A HN 0.000 nan 8.150 nan 0.000 0.486