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 3hrz_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 MSWPXXVPPE GWNRTRHVII DATA SEQUENCE LMTDGLHNMG GDPITVIDEI RDLLYIGKDR KNPREDYLDV YVFGVGPLVN DATA SEQUENCE QVNINALASK KDNEQHVFKV KDMENLEDVF YQMIDESQSL SLcGMVWEHX DATA SEQUENCE XXTDYHKQPW QAKISVIRPX XXXXScMGAV VSEYFVLTAA HcFTXXXXXH 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 XXXXXXKQVP 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 0.000 174.481 174.600 -0.198 0.000 1.055 11 S CA 0.000 58.114 58.200 -0.143 0.000 1.107 11 S CB 0.000 63.161 63.200 -0.065 0.000 0.593 12 c N 2.144 120.559 118.600 -0.308 0.000 2.303 12 c HA 0.832 5.402 4.570 -0.000 0.000 0.326 12 c C 1.125 175.195 174.090 -0.033 0.000 1.285 12 c CA -0.342 55.751 56.329 -0.393 0.000 1.675 12 c CB 0.705 42.463 42.510 -1.253 0.000 2.289 12 c HN 0.934 nan 8.230 nan 0.000 0.512 13 S N 2.001 117.710 115.700 0.014 0.000 2.558 13 S HA 0.143 4.612 4.470 -0.000 0.000 0.288 13 S C 0.527 175.273 174.600 0.244 0.000 1.318 13 S CA -0.171 58.095 58.200 0.110 0.000 1.056 13 S CB 0.155 63.394 63.200 0.064 0.000 0.853 13 S HN 0.644 nan 8.310 nan 0.000 0.505 14 L N 3.589 124.927 121.223 0.192 0.000 2.737 14 L HA 0.267 4.607 4.340 -0.000 0.000 0.236 14 L C 0.534 177.443 176.870 0.065 0.000 1.219 14 L CA 0.074 54.990 54.840 0.127 0.000 1.021 14 L CB -0.372 41.766 42.059 0.131 0.000 1.291 14 L HN 0.666 nan 8.230 nan 0.000 0.470 15 E N 1.238 121.490 120.200 0.087 0.000 2.070 15 E HA 0.243 4.592 4.350 -0.000 0.000 0.282 15 E C 0.923 177.548 176.600 0.041 0.000 1.104 15 E CA 0.259 56.696 56.400 0.061 0.000 0.876 15 E CB 0.844 30.579 29.700 0.059 0.000 1.055 15 E HN 0.422 nan 8.360 nan 0.000 0.401 16 G N 2.390 111.204 108.800 0.023 0.000 2.136 16 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.242 16 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.242 16 G C 0.847 175.729 174.900 -0.030 0.000 0.989 16 G CA 0.398 45.504 45.100 0.009 0.000 0.682 16 G HN 0.534 nan 8.290 nan 0.000 0.522 17 V N -1.588 118.260 119.914 -0.111 0.000 2.788 17 V HA 0.238 4.358 4.120 -0.000 0.000 0.251 17 V C 1.508 177.525 176.094 -0.129 0.000 1.068 17 V CA 1.122 63.275 62.300 -0.245 0.000 1.090 17 V CB -0.187 31.231 31.823 -0.675 0.000 0.710 17 V HN 0.712 nan 8.190 nan 0.000 0.467 18 E N 1.818 122.013 120.200 -0.008 0.000 2.565 18 E HA -0.055 4.295 4.350 -0.000 0.000 0.268 18 E C -0.353 176.259 176.600 0.019 0.000 1.000 18 E CA 0.138 56.661 56.400 0.205 0.000 0.964 18 E CB 1.313 31.141 29.700 0.213 0.000 0.955 18 E HN 0.632 nan 8.360 nan 0.000 0.459 19 I N 0.987 121.542 120.570 -0.026 0.000 2.378 19 I HA 0.149 4.319 4.170 -0.000 0.000 0.291 19 I C 0.213 176.245 176.117 -0.141 0.000 0.992 19 I CA -0.998 60.144 61.300 -0.264 0.000 1.154 19 I CB 1.048 38.679 38.000 -0.614 0.000 1.315 19 I HN 0.504 nan 8.210 nan 0.000 0.448 20 K N 6.451 126.771 120.400 -0.134 0.000 2.395 20 K HA 0.212 4.531 4.320 -0.000 0.000 0.283 20 K C 0.774 177.303 176.600 -0.119 0.000 1.068 20 K CA 1.209 57.437 56.287 -0.099 0.000 1.039 20 K CB -0.031 32.422 32.500 -0.079 0.000 0.924 20 K HN 1.017 nan 8.250 nan 0.000 0.468 21 G N 2.385 111.114 108.800 -0.118 0.000 2.213 21 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.226 21 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.226 21 G C 0.245 175.046 174.900 -0.165 0.000 0.992 21 G CA -0.211 44.792 45.100 -0.161 0.000 0.632 21 G HN 0.975 nan 8.290 nan 0.000 0.511 22 G N -0.808 107.922 108.800 -0.117 0.000 3.166 22 G HA2 0.921 4.881 3.960 -0.000 0.000 0.267 22 G HA3 0.921 4.881 3.960 -0.000 0.000 0.267 22 G C -0.159 174.719 174.900 -0.037 0.000 1.256 22 G CA 0.793 45.845 45.100 -0.080 0.000 0.859 22 G HN 1.634 nan 8.290 nan 0.000 0.590 23 S N -1.483 114.223 115.700 0.010 0.000 2.732 23 S HA 0.872 5.342 4.470 -0.000 0.000 0.293 23 S C -1.049 173.659 174.600 0.179 0.000 1.159 23 S CA -0.780 57.418 58.200 -0.003 0.000 0.847 23 S CB 1.690 64.822 63.200 -0.114 0.000 1.169 23 S HN 1.507 nan 8.310 nan 0.000 0.501 24 F N -1.131 118.862 119.950 0.072 0.000 2.613 24 F HA 0.886 5.413 4.527 -0.000 0.000 0.314 24 F C -0.731 175.043 175.800 -0.043 0.000 1.075 24 F CA -1.236 56.784 58.000 0.033 0.000 0.945 24 F CB 1.675 40.675 39.000 0.000 0.000 1.310 24 F HN 0.874 nan 8.300 nan 0.000 0.467 25 R N 2.833 123.418 120.500 0.143 0.000 2.514 25 R HA 0.649 4.988 4.340 -0.000 0.000 0.296 25 R C -2.033 174.313 176.300 0.076 0.000 1.012 25 R CA -0.845 55.293 56.100 0.062 0.000 0.897 25 R CB 1.682 31.982 30.300 0.000 0.000 1.184 25 R HN 0.857 nan 8.270 nan 0.000 0.440 26 L N 3.924 125.212 121.223 0.109 0.000 2.426 26 L HA 0.375 4.715 4.340 -0.000 0.000 0.271 26 L C -0.178 176.730 176.870 0.064 0.000 1.169 26 L CA -0.164 54.728 54.840 0.087 0.000 0.836 26 L CB 0.667 42.815 42.059 0.149 0.000 1.112 26 L HN 0.519 nan 8.230 nan 0.000 0.465 27 L N 2.116 123.378 121.223 0.065 0.000 2.277 27 L HA 0.357 4.697 4.340 -0.000 0.000 0.254 27 L C 0.022 176.933 176.870 0.067 0.000 1.044 27 L CA -0.837 54.032 54.840 0.049 0.000 0.842 27 L CB 1.665 43.739 42.059 0.025 0.000 1.422 27 L HN 0.598 nan 8.230 nan 0.000 0.422 28 Q N 0.351 120.179 119.800 0.047 0.000 2.437 28 Q HA -0.277 4.063 4.340 -0.000 0.000 0.274 28 Q C -0.088 175.947 176.000 0.057 0.000 1.165 28 Q CA 1.130 56.963 55.803 0.050 0.000 0.925 28 Q CB -1.377 27.393 28.738 0.054 0.000 1.327 28 Q HN 0.723 nan 8.270 nan 0.000 0.505 29 E N -3.284 116.950 120.200 0.058 0.000 3.628 29 E HA -0.297 4.052 4.350 -0.000 0.000 0.309 29 E C 0.711 177.356 176.600 0.075 0.000 0.839 29 E CA 0.711 57.144 56.400 0.056 0.000 1.123 29 E CB -1.377 28.346 29.700 0.039 0.000 1.568 29 E HN 0.950 nan 8.360 nan 0.000 0.440 30 G N -0.256 108.613 108.800 0.115 0.000 2.198 30 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.156 30 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.156 30 G C 0.333 175.333 174.900 0.167 0.000 1.012 30 G CA 0.109 45.314 45.100 0.174 0.000 0.692 30 G HN 0.100 nan 8.290 nan 0.000 0.492 31 Q N -0.069 119.804 119.800 0.121 0.000 2.220 31 Q HA 0.653 4.992 4.340 -0.000 0.000 0.205 31 Q C 0.574 176.685 176.000 0.185 0.000 0.865 31 Q CA 0.864 56.688 55.803 0.036 0.000 0.960 31 Q CB 1.244 29.981 28.738 -0.001 0.000 1.097 31 Q HN 1.448 nan 8.270 nan 0.000 0.493 32 A N 0.912 123.970 122.820 0.397 0.000 2.573 32 A HA 0.531 4.851 4.320 -0.000 0.000 0.299 32 A C -1.684 175.983 177.584 0.138 0.000 1.060 32 A CA -0.864 51.388 52.037 0.359 0.000 0.736 32 A CB 0.678 19.769 19.000 0.153 0.000 1.280 32 A HN 0.158 nan 8.150 nan 0.000 0.401 33 L N -0.736 120.373 121.223 -0.189 0.000 2.370 33 L HA 0.959 5.299 4.340 -0.000 0.000 0.266 33 L C -0.363 176.266 176.870 -0.401 0.000 1.002 33 L CA -0.561 54.038 54.840 -0.402 0.000 0.818 33 L CB 1.864 43.412 42.059 -0.852 0.000 1.325 33 L HN 0.769 nan 8.230 nan 0.000 0.418 34 E N 1.566 121.604 120.200 -0.270 0.000 2.187 34 E HA 0.415 4.765 4.350 -0.000 0.000 0.268 34 E C -1.599 174.918 176.600 -0.139 0.000 0.896 34 E CA -0.745 55.540 56.400 -0.192 0.000 0.766 34 E CB 1.108 30.772 29.700 -0.059 0.000 1.142 34 E HN 0.646 nan 8.360 nan 0.000 0.408 35 Y N 1.961 122.272 120.300 0.019 0.000 2.304 35 Y HA 0.296 4.846 4.550 -0.000 0.000 0.328 35 Y C 0.014 175.939 175.900 0.042 0.000 1.123 35 Y CA -0.666 57.460 58.100 0.044 0.000 1.218 35 Y CB 1.542 40.015 38.460 0.022 0.000 1.207 35 Y HN 0.217 nan 8.280 nan 0.000 0.495 36 V N 3.376 123.420 119.914 0.217 0.000 2.409 36 V HA 0.399 4.519 4.120 -0.000 0.000 0.291 36 V C -0.389 175.753 176.094 0.080 0.000 1.020 36 V CA -0.894 61.475 62.300 0.115 0.000 0.848 36 V CB 1.088 32.948 31.823 0.062 0.000 0.990 36 V HN 0.851 nan 8.190 nan 0.000 0.430 37 c N 5.737 124.388 118.600 0.086 0.000 2.529 37 c HA 0.679 5.248 4.570 -0.000 0.000 0.329 37 c C -2.112 172.024 174.090 0.078 0.000 1.194 37 c CA -1.125 55.240 56.329 0.061 0.000 1.779 37 c CB 1.747 44.322 42.510 0.108 0.000 2.322 37 c HN 0.710 nan 8.230 nan 0.000 0.500 38 P HA 0.107 nan 4.420 nan 0.000 0.269 38 P C -0.301 177.132 177.300 0.222 0.000 1.215 38 P CA 0.150 63.313 63.100 0.106 0.000 0.780 38 P CB 0.399 32.069 31.700 -0.050 0.000 0.898 39 S N 1.015 116.825 115.700 0.184 0.000 2.558 39 S HA 0.292 4.762 4.470 -0.000 0.000 0.293 39 S C 1.485 176.136 174.600 0.084 0.000 1.292 39 S CA 1.098 59.306 58.200 0.014 0.000 1.063 39 S CB -1.056 61.972 63.200 -0.286 0.000 0.831 39 S HN 0.900 nan 8.310 nan 0.000 0.499 40 G N 3.178 112.011 108.800 0.055 0.000 2.195 40 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.246 40 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.246 40 G C 0.018 174.784 174.900 -0.223 0.000 0.984 40 G CA 0.275 45.345 45.100 -0.051 0.000 0.633 40 G HN 0.635 nan 8.290 nan 0.000 0.525 41 F N -0.570 119.349 119.950 -0.053 0.000 2.618 41 F HA 0.804 5.331 4.527 -0.000 0.000 0.332 41 F C 0.123 175.953 175.800 0.050 0.000 1.061 41 F CA -1.054 56.914 58.000 -0.054 0.000 0.974 41 F CB 1.763 40.715 39.000 -0.080 0.000 1.310 41 F HN 0.299 nan 8.300 nan 0.000 0.491 42 Y N -0.935 119.391 120.300 0.042 0.000 2.581 42 Y HA 0.684 5.234 4.550 -0.000 0.000 0.337 42 Y C -3.468 172.489 175.900 0.095 0.000 1.108 42 Y CA -3.523 54.608 58.100 0.052 0.000 1.033 42 Y CB 1.001 39.446 38.460 -0.024 0.000 1.318 42 Y HN 0.155 nan 8.280 nan 0.000 0.459 43 P HA 0.181 nan 4.420 nan 0.000 0.287 43 P C -1.599 175.704 177.300 0.005 0.000 1.294 43 P CA 0.311 63.398 63.100 -0.021 0.000 0.776 43 P CB 0.348 32.145 31.700 0.162 0.000 0.889 44 Y N 7.056 127.194 120.300 -0.269 0.000 2.341 44 Y HA 0.456 5.006 4.550 -0.000 0.000 0.337 44 Y C -1.946 173.924 175.900 -0.051 0.000 1.014 44 Y CA -2.690 55.343 58.100 -0.112 0.000 1.111 44 Y CB 1.932 40.265 38.460 -0.211 0.000 1.194 44 Y HN 0.297 nan 8.280 nan 0.000 0.462 45 P HA 0.052 nan 4.420 nan 0.000 0.245 45 P C -0.727 176.528 177.300 -0.075 0.000 1.199 45 P CA 0.622 63.316 63.100 -0.678 0.000 0.807 45 P CB 0.565 31.791 31.700 -0.790 0.000 1.002 46 V N -3.725 116.196 119.914 0.012 0.000 3.102 46 V HA 0.427 4.547 4.120 -0.000 0.000 0.312 46 V C 0.986 177.206 176.094 0.210 0.000 1.135 46 V CA -0.691 61.676 62.300 0.113 0.000 1.022 46 V CB 2.112 33.977 31.823 0.069 0.000 1.056 46 V HN -0.216 nan 8.190 nan 0.000 0.436 47 Q N 0.791 120.702 119.800 0.185 0.000 2.297 47 Q HA 0.193 4.533 4.340 -0.000 0.000 0.203 47 Q C 0.471 176.506 176.000 0.059 0.000 0.931 47 Q CA 1.284 57.205 55.803 0.195 0.000 0.885 47 Q CB 0.474 29.308 28.738 0.160 0.000 0.991 47 Q HN 1.024 nan 8.270 nan 0.000 0.498 48 T N -0.761 113.792 114.554 -0.001 0.000 2.893 48 T HA 0.666 5.016 4.350 -0.000 0.000 0.293 48 T C -0.759 173.885 174.700 -0.093 0.000 1.027 48 T CA -0.943 61.097 62.100 -0.100 0.000 0.988 48 T CB 2.260 71.108 68.868 -0.035 0.000 1.043 48 T HN 0.061 nan 8.240 nan 0.000 0.461 49 R N 0.726 121.122 120.500 -0.174 0.000 2.832 49 R HA 0.808 5.148 4.340 -0.000 0.000 0.271 49 R C -0.273 176.147 176.300 0.199 0.000 0.996 49 R CA -0.999 55.084 56.100 -0.028 0.000 0.977 49 R CB 1.991 32.197 30.300 -0.157 0.000 1.168 49 R HN 0.895 nan 8.270 nan 0.000 0.482 50 T N -2.544 112.202 114.554 0.321 0.000 2.912 50 T HA 0.277 4.627 4.350 -0.000 0.000 0.288 50 T C -0.100 174.713 174.700 0.188 0.000 1.030 50 T CA -0.750 61.531 62.100 0.303 0.000 1.020 50 T CB 1.528 70.465 68.868 0.115 0.000 1.056 50 T HN 0.604 nan 8.240 nan 0.000 0.480 51 c N 3.875 122.366 118.600 -0.182 0.000 2.555 51 c HA 0.454 5.024 4.570 -0.000 0.000 0.385 51 c C 0.803 174.707 174.090 -0.309 0.000 1.296 51 c CA -0.605 55.346 56.329 -0.630 0.000 1.757 51 c CB -1.176 40.902 42.510 -0.721 0.000 2.445 51 c HN 0.752 nan 8.230 nan 0.000 0.571 52 R N 3.529 123.861 120.500 -0.280 0.000 2.583 52 R HA 0.178 4.518 4.340 -0.000 0.000 0.268 52 R C 1.643 177.845 176.300 -0.163 0.000 1.101 52 R CA 0.347 56.351 56.100 -0.160 0.000 1.180 52 R CB 0.394 30.629 30.300 -0.109 0.000 1.128 52 R HN 0.941 nan 8.270 nan 0.000 0.568 53 S N -0.523 115.112 115.700 -0.108 0.000 2.399 53 S HA -0.164 4.306 4.470 -0.000 0.000 0.231 53 S C 1.521 176.063 174.600 -0.096 0.000 1.022 53 S CA 1.718 59.862 58.200 -0.093 0.000 0.983 53 S CB -0.585 62.576 63.200 -0.064 0.000 0.803 53 S HN 0.755 nan 8.310 nan 0.000 0.480 54 T N -1.860 112.638 114.554 -0.093 0.000 3.215 54 T HA 0.424 4.774 4.350 -0.000 0.000 0.254 54 T C 1.529 176.168 174.700 -0.102 0.000 1.149 54 T CA 0.474 62.526 62.100 -0.080 0.000 1.042 54 T CB -0.724 68.108 68.868 -0.060 0.000 0.966 54 T HN 1.169 nan 8.240 nan 0.000 0.534 55 G N 0.659 109.367 108.800 -0.152 0.000 2.153 55 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.252 55 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.252 55 G C 0.059 174.823 174.900 -0.226 0.000 0.994 55 G CA 0.155 45.139 45.100 -0.193 0.000 0.698 55 G HN 0.760 nan 8.290 nan 0.000 0.521 56 S N -0.827 114.745 115.700 -0.212 0.000 2.503 56 S HA 0.627 5.097 4.470 -0.000 0.000 0.301 56 S C -0.224 174.257 174.600 -0.200 0.000 1.087 56 S CA -0.740 57.367 58.200 -0.155 0.000 1.042 56 S CB 1.128 64.298 63.200 -0.051 0.000 1.043 56 S HN 0.367 nan 8.310 nan 0.000 0.489 57 W N 2.781 124.054 121.300 -0.045 0.000 2.216 57 W HA 0.241 4.900 4.660 -0.000 0.000 0.326 57 W C 0.959 177.453 176.519 -0.042 0.000 1.319 57 W CA -0.258 57.054 57.345 -0.055 0.000 1.213 57 W CB 0.313 29.725 29.460 -0.080 0.000 1.171 57 W HN 0.728 nan 8.180 nan 0.000 0.557 58 S N 1.195 117.031 115.700 0.227 0.000 2.642 58 S HA -0.006 4.464 4.470 -0.000 0.000 0.308 58 S C 0.437 175.105 174.600 0.114 0.000 1.255 58 S CA -0.325 57.951 58.200 0.127 0.000 1.057 58 S CB -0.111 63.157 63.200 0.113 0.000 0.785 58 S HN 0.514 nan 8.310 nan 0.000 0.500 59 T N 1.669 116.264 114.554 0.069 0.000 2.900 59 T HA 0.313 4.663 4.350 -0.000 0.000 0.307 59 T C 0.264 174.984 174.700 0.035 0.000 1.065 59 T CA -0.912 61.219 62.100 0.051 0.000 1.105 59 T CB -0.110 68.778 68.868 0.032 0.000 0.979 59 T HN 0.575 nan 8.240 nan 0.000 0.544 60 L N 2.768 124.003 121.223 0.019 0.000 2.369 60 L HA 0.356 4.696 4.340 -0.000 0.000 0.279 60 L C 0.810 177.658 176.870 -0.036 0.000 1.108 60 L CA -0.240 54.592 54.840 -0.014 0.000 0.852 60 L CB 0.099 42.136 42.059 -0.038 0.000 1.169 60 L HN 0.489 nan 8.230 nan 0.000 0.452 61 K N 2.630 123.008 120.400 -0.037 0.000 2.323 61 K HA 0.399 4.719 4.320 -0.000 0.000 0.259 61 K C 0.068 176.640 176.600 -0.047 0.000 0.947 61 K CA -0.502 55.768 56.287 -0.029 0.000 0.819 61 K CB 2.226 34.725 32.500 -0.003 0.000 1.109 61 K HN 0.637 nan 8.250 nan 0.000 0.429 62 T N -0.828 113.705 114.554 -0.036 0.000 2.698 62 T HA -0.011 4.339 4.350 -0.000 0.000 0.295 62 T C 1.351 176.072 174.700 0.034 0.000 1.007 62 T CA -0.235 61.866 62.100 0.002 0.000 0.980 62 T CB 0.689 69.598 68.868 0.069 0.000 1.036 62 T HN 0.400 nan 8.240 nan 0.000 0.526 63 Q N 0.347 120.185 119.800 0.063 0.000 2.124 63 Q HA -0.127 4.212 4.340 -0.000 0.000 0.202 63 Q C 1.610 177.639 176.000 0.048 0.000 0.977 63 Q CA 1.864 57.700 55.803 0.054 0.000 0.850 63 Q CB -0.810 27.966 28.738 0.063 0.000 0.901 63 Q HN 0.752 nan 8.270 nan 0.000 0.429 64 D N 0.269 120.704 120.400 0.058 0.000 2.392 64 D HA -0.123 4.517 4.640 -0.000 0.000 0.228 64 D C -0.154 176.169 176.300 0.039 0.000 1.003 64 D CA 0.586 54.617 54.000 0.051 0.000 0.917 64 D CB 0.047 40.884 40.800 0.061 0.000 0.890 64 D HN 0.424 nan 8.370 nan 0.000 0.532 65 Q N -0.332 119.488 119.800 0.033 0.000 2.494 65 Q HA -0.185 4.155 4.340 -0.000 0.000 0.272 65 Q C -0.650 175.365 176.000 0.025 0.000 1.145 65 Q CA 0.742 56.559 55.803 0.023 0.000 0.943 65 Q CB -1.331 27.418 28.738 0.019 0.000 1.338 65 Q HN 0.421 nan 8.270 nan 0.000 0.492 66 K N 0.802 121.221 120.400 0.032 0.000 2.227 66 K HA 0.356 4.676 4.320 -0.000 0.000 0.280 66 K C 0.124 176.739 176.600 0.025 0.000 1.041 66 K CA -0.407 55.901 56.287 0.035 0.000 0.905 66 K CB 1.139 33.670 32.500 0.052 0.000 1.068 66 K HN -0.097 nan 8.250 nan 0.000 0.470 67 T N 2.130 116.697 114.554 0.021 0.000 2.916 67 T HA 0.092 4.441 4.350 -0.000 0.000 0.303 67 T C 0.096 174.806 174.700 0.015 0.000 1.025 67 T CA -0.275 61.833 62.100 0.013 0.000 1.142 67 T CB 0.458 69.335 68.868 0.016 0.000 0.947 67 T HN 0.202 nan 8.240 nan 0.000 0.544 68 V N 4.975 124.885 119.914 -0.007 0.000 2.555 68 V HA 0.343 4.463 4.120 -0.000 0.000 0.302 68 V C 0.990 177.085 176.094 0.001 0.000 1.038 68 V CA -0.768 61.530 62.300 -0.002 0.000 0.887 68 V CB 1.849 33.623 31.823 -0.081 0.000 0.991 68 V HN 0.792 nan 8.190 nan 0.000 0.434 69 R N 1.491 122.003 120.500 0.020 0.000 2.127 69 R HA 0.155 4.494 4.340 -0.000 0.000 0.217 69 R C 0.272 176.577 176.300 0.008 0.000 1.074 69 R CA 0.517 56.627 56.100 0.017 0.000 0.991 69 R CB 0.176 30.489 30.300 0.022 0.000 0.895 69 R HN 0.364 nan 8.270 nan 0.000 0.450 70 K N 0.315 120.721 120.400 0.009 0.000 2.443 70 K HA 0.462 4.782 4.320 -0.000 0.000 0.252 70 K C -1.490 175.093 176.600 -0.029 0.000 0.933 70 K CA -0.581 55.700 56.287 -0.009 0.000 0.792 70 K CB 1.982 34.480 32.500 -0.002 0.000 1.185 70 K HN 0.071 nan 8.250 nan 0.000 0.425 71 A N 3.696 126.459 122.820 -0.094 0.000 2.401 71 A HA 0.514 4.834 4.320 -0.000 0.000 0.259 71 A C -0.770 176.698 177.584 -0.194 0.000 1.103 71 A CA -0.076 51.846 52.037 -0.192 0.000 0.789 71 A CB -0.032 18.725 19.000 -0.405 0.000 1.035 71 A HN 0.787 nan 8.150 nan 0.000 0.491 72 E N 0.639 120.757 120.200 -0.137 0.000 2.366 72 E HA 0.440 4.790 4.350 -0.000 0.000 0.278 72 E C -1.436 175.071 176.600 -0.155 0.000 0.923 72 E CA -0.849 55.473 56.400 -0.130 0.000 0.761 72 E CB 0.922 30.587 29.700 -0.058 0.000 1.231 72 E HN 0.398 nan 8.360 nan 0.000 0.443 73 c N 2.468 120.976 118.600 -0.155 0.000 2.624 73 c HA 0.316 4.885 4.570 -0.000 0.000 0.397 73 c C 0.275 174.328 174.090 -0.062 0.000 1.331 73 c CA -0.186 56.068 56.329 -0.125 0.000 1.716 73 c CB -1.324 41.128 42.510 -0.096 0.000 2.452 73 c HN 0.502 nan 8.230 nan 0.000 0.586 74 R N 2.126 122.447 120.500 -0.297 0.000 2.732 74 R HA 0.664 5.004 4.340 -0.000 0.000 0.278 74 R C -0.109 175.954 176.300 -0.396 0.000 0.976 74 R CA -0.505 55.391 56.100 -0.341 0.000 0.963 74 R CB 1.411 31.375 30.300 -0.560 0.000 1.150 74 R HN 0.762 nan 8.270 nan 0.000 0.478 75 A N 2.721 125.221 122.820 -0.533 0.000 2.477 75 A HA 0.189 4.509 4.320 -0.000 0.000 0.246 75 A C 0.361 177.393 177.584 -0.921 0.000 1.078 75 A CA -0.172 51.267 52.037 -0.996 0.000 0.770 75 A CB -0.017 18.468 19.000 -0.859 0.000 1.011 75 A HN 0.634 nan 8.150 nan 0.000 0.494 76 I N 2.481 122.529 120.570 -0.870 0.000 2.533 76 I HA 0.134 4.304 4.170 -0.000 0.000 0.284 76 I C 0.048 175.692 176.117 -0.789 0.000 1.109 76 I CA 0.519 61.294 61.300 -0.876 0.000 1.412 76 I CB 0.133 37.778 38.000 -0.592 0.000 1.396 76 I HN 0.717 nan 8.210 nan 0.000 0.543 77 H N 3.783 122.672 119.070 -0.302 0.000 2.637 77 H HA 0.380 4.935 4.556 -0.000 0.000 0.363 77 H C -0.799 174.549 175.328 0.033 0.000 1.131 77 H CA -0.791 55.215 56.048 -0.070 0.000 1.183 77 H CB 1.534 31.300 29.762 0.007 0.000 1.637 77 H HN 0.534 nan 8.280 nan 0.000 0.531 78 c N 3.714 122.334 118.600 0.033 0.000 2.466 78 c HA 0.247 4.816 4.570 -0.000 0.000 0.379 78 c C -1.944 172.230 174.090 0.140 0.000 1.251 78 c CA -1.429 54.795 56.329 -0.176 0.000 2.263 78 c CB 0.153 42.049 42.510 -1.024 0.000 2.511 78 c HN 0.620 nan 8.230 nan 0.000 0.573 79 P HA 0.062 nan 4.420 nan 0.000 0.262 79 P C -0.208 177.364 177.300 0.454 0.000 1.182 79 P CA 0.240 63.517 63.100 0.294 0.000 0.761 79 P CB 0.353 32.161 31.700 0.180 0.000 0.795 80 R N 5.150 125.906 120.500 0.425 0.000 2.543 80 R HA 0.198 4.538 4.340 -0.000 0.000 0.277 80 R C -2.196 174.274 176.300 0.284 0.000 1.074 80 R CA -1.549 54.819 56.100 0.447 0.000 1.076 80 R CB -0.264 30.303 30.300 0.445 0.000 0.993 80 R HN 0.326 nan 8.270 nan 0.000 0.459 81 P HA 0.007 nan 4.420 nan 0.000 0.265 81 P C -0.717 176.728 177.300 0.242 0.000 1.193 81 P CA 0.215 63.295 63.100 -0.034 0.000 0.765 81 P CB 0.606 31.996 31.700 -0.516 0.000 0.823 82 H N 0.373 119.459 119.070 0.026 0.000 2.622 82 H HA 0.272 4.828 4.556 -0.000 0.000 0.269 82 H C -0.154 175.225 175.328 0.085 0.000 0.977 82 H CA 0.504 56.589 56.048 0.061 0.000 1.179 82 H CB 0.455 30.231 29.762 0.024 0.000 1.458 82 H HN 0.360 nan 8.280 nan 0.000 0.531 83 D N -1.223 119.309 120.400 0.220 0.000 2.884 83 D HA 0.141 4.781 4.640 -0.000 0.000 0.255 83 D C -1.931 174.530 176.300 0.268 0.000 1.142 83 D CA -0.592 53.535 54.000 0.211 0.000 0.726 83 D CB 0.629 41.508 40.800 0.131 0.000 1.436 83 D HN -0.095 nan 8.370 nan 0.000 0.441 84 F N 1.922 121.932 119.950 0.101 0.000 2.653 84 F HA 0.393 4.920 4.527 -0.000 0.000 0.327 84 F C -0.700 175.089 175.800 -0.019 0.000 1.195 84 F CA -0.432 57.598 58.000 0.051 0.000 0.993 84 F CB 1.410 40.528 39.000 0.196 0.000 1.259 84 F HN 0.205 nan 8.300 nan 0.000 0.478 85 E N 4.410 124.258 120.200 -0.588 0.000 2.343 85 E HA 0.210 4.560 4.350 -0.000 0.000 0.269 85 E C -0.129 175.975 176.600 -0.826 0.000 1.047 85 E CA -0.246 55.843 56.400 -0.517 0.000 0.874 85 E CB 0.490 29.994 29.700 -0.328 0.000 1.033 85 E HN 0.668 nan 8.360 nan 0.000 0.409 86 N N 0.688 118.926 118.700 -0.769 0.000 2.708 86 N HA -0.197 4.543 4.740 -0.000 0.000 0.249 86 N C -0.276 174.353 175.510 -1.467 0.000 1.097 86 N CA 1.262 53.587 53.050 -1.209 0.000 0.710 86 N CB -1.329 36.251 38.487 -1.511 0.000 1.032 86 N HN 0.694 nan 8.380 nan 0.000 0.551 87 G N -1.521 106.453 108.800 -1.378 0.000 2.548 87 G HA2 0.544 4.504 3.960 -0.000 0.000 0.301 87 G HA3 0.544 4.504 3.960 -0.000 0.000 0.301 87 G C -1.719 173.206 174.900 0.043 0.000 1.349 87 G CA -0.629 44.143 45.100 -0.546 0.000 0.792 87 G HN -0.015 nan 8.290 nan 0.000 0.481 88 E N -0.895 119.518 120.200 0.354 0.000 2.336 88 E HA 0.586 4.936 4.350 -0.000 0.000 0.267 88 E C -1.448 175.309 176.600 0.261 0.000 0.906 88 E CA -0.595 55.987 56.400 0.303 0.000 0.781 88 E CB 2.517 32.372 29.700 0.258 0.000 1.261 88 E HN 0.667 nan 8.360 nan 0.000 0.436 89 Y N -1.980 118.332 120.300 0.020 0.000 2.576 89 Y HA 0.748 5.298 4.550 -0.000 0.000 0.346 89 Y C -1.382 174.496 175.900 -0.036 0.000 1.018 89 Y CA -1.352 56.592 58.100 -0.259 0.000 1.050 89 Y CB 1.608 39.604 38.460 -0.773 0.000 1.280 89 Y HN 0.580 nan 8.280 nan 0.000 0.474 90 W N 4.208 125.447 121.300 -0.101 0.000 3.097 90 W HA 0.696 5.356 4.660 -0.000 0.000 0.335 90 W C -3.037 173.478 176.519 -0.008 0.000 1.114 90 W CA -1.942 55.382 57.345 -0.036 0.000 1.231 90 W CB 2.459 31.938 29.460 0.033 0.000 1.388 90 W HN 0.467 nan 8.180 nan 0.000 0.485 91 P HA 0.499 nan 4.420 nan 0.000 0.284 91 P C -1.245 175.964 177.300 -0.151 0.000 1.287 91 P CA -0.669 62.054 63.100 -0.629 0.000 0.824 91 P CB 1.140 32.347 31.700 -0.822 0.000 1.180 92 R N 0.288 120.617 120.500 -0.285 0.000 2.265 92 R HA 0.638 4.978 4.340 -0.000 0.000 0.328 92 R C -0.441 175.758 176.300 -0.169 0.000 0.969 92 R CA -0.237 55.834 56.100 -0.048 0.000 0.832 92 R CB 0.926 31.117 30.300 -0.181 0.000 1.139 92 R HN 0.441 nan 8.270 nan 0.000 0.457 93 S N 2.743 118.309 115.700 -0.222 0.000 2.632 93 S HA 0.355 4.825 4.470 -0.000 0.000 0.289 93 S C -1.911 172.444 174.600 -0.409 0.000 1.115 93 S CA -1.256 56.649 58.200 -0.492 0.000 0.889 93 S CB 2.089 64.768 63.200 -0.868 0.000 1.116 93 S HN 0.381 nan 8.310 nan 0.000 0.486 94 P HA 0.035 nan 4.420 nan 0.000 0.216 94 P C -0.554 176.645 177.300 -0.168 0.000 1.153 94 P CA 1.337 64.277 63.100 -0.266 0.000 0.848 94 P CB -0.052 31.448 31.700 -0.333 0.000 0.787 95 Y N -5.227 114.868 120.300 -0.341 0.000 2.609 95 Y HA 0.619 5.169 4.550 -0.000 0.000 0.336 95 Y C -1.315 174.326 175.900 -0.432 0.000 1.129 95 Y CA -1.983 55.925 58.100 -0.321 0.000 1.040 95 Y CB 0.302 38.450 38.460 -0.520 0.000 1.310 95 Y HN -0.283 nan 8.280 nan 0.000 0.460 96 Y N 1.942 122.340 120.300 0.164 0.000 2.335 96 Y HA 0.422 4.972 4.550 -0.000 0.000 0.338 96 Y C -0.179 175.809 175.900 0.147 0.000 0.977 96 Y CA -0.848 57.337 58.100 0.142 0.000 1.114 96 Y CB 1.334 39.937 38.460 0.238 0.000 1.182 96 Y HN 0.589 nan 8.280 nan 0.000 0.463 97 N N 1.394 120.230 118.700 0.226 0.000 2.493 97 N HA 0.250 4.989 4.740 -0.000 0.000 0.275 97 N C -0.586 174.932 175.510 0.013 0.000 1.186 97 N CA -0.570 52.576 53.050 0.160 0.000 0.978 97 N CB 1.646 40.210 38.487 0.128 0.000 1.184 97 N HN 0.272 nan 8.380 nan 0.000 0.487 98 V N 1.682 121.556 119.914 -0.066 0.000 2.720 98 V HA -0.115 4.005 4.120 -0.000 0.000 0.307 98 V C 1.302 177.365 176.094 -0.053 0.000 1.071 98 V CA 1.263 63.499 62.300 -0.106 0.000 1.199 98 V CB 0.332 32.081 31.823 -0.125 0.000 0.900 98 V HN 1.076 nan 8.190 nan 0.000 0.494 99 S N 1.592 117.259 115.700 -0.055 0.000 2.857 99 S HA -0.181 4.289 4.470 -0.000 0.000 0.268 99 S C 0.058 174.685 174.600 0.044 0.000 1.297 99 S CA 0.893 59.089 58.200 -0.006 0.000 1.280 99 S CB -1.835 61.366 63.200 0.002 0.000 1.562 99 S HN 0.790 nan 8.310 nan 0.000 0.661 100 D N 2.312 122.749 120.400 0.060 0.000 2.399 100 D HA 0.493 5.133 4.640 -0.000 0.000 0.241 100 D C 0.236 176.684 176.300 0.247 0.000 1.133 100 D CA 0.385 54.482 54.000 0.162 0.000 0.890 100 D CB 0.838 41.782 40.800 0.239 0.000 1.201 100 D HN 0.659 nan 8.370 nan 0.000 0.432 101 E N 1.338 121.700 120.200 0.270 0.000 2.227 101 E HA 0.590 4.940 4.350 -0.000 0.000 0.268 101 E C -1.167 175.573 176.600 0.234 0.000 0.907 101 E CA -0.745 55.815 56.400 0.265 0.000 0.786 101 E CB 1.760 31.559 29.700 0.166 0.000 1.191 101 E HN 0.380 nan 8.360 nan 0.000 0.411 102 I N 2.358 122.966 120.570 0.064 0.000 2.647 102 I HA 0.370 4.540 4.170 -0.000 0.000 0.295 102 I C -1.305 174.581 176.117 -0.385 0.000 1.078 102 I CA -0.366 60.794 61.300 -0.232 0.000 1.048 102 I CB 1.853 39.414 38.000 -0.731 0.000 1.239 102 I HN 0.618 nan 8.210 nan 0.000 0.421 103 S N 5.301 120.735 115.700 -0.443 0.000 2.548 103 S HA 0.708 5.177 4.470 -0.000 0.000 0.286 103 S C -1.075 173.031 174.600 -0.824 0.000 1.098 103 S CA -0.658 57.255 58.200 -0.477 0.000 0.930 103 S CB 1.609 64.685 63.200 -0.206 0.000 1.070 103 S HN 0.393 nan 8.310 nan 0.000 0.480 104 F N 0.377 120.005 119.950 -0.537 0.000 2.538 104 F HA 0.632 5.159 4.527 -0.000 0.000 0.325 104 F C 0.147 175.575 175.800 -0.619 0.000 1.066 104 F CA -0.633 57.039 58.000 -0.547 0.000 0.946 104 F CB 1.845 40.516 39.000 -0.548 0.000 1.199 104 F HN 0.685 nan 8.300 nan 0.000 0.473 105 H N -0.308 118.917 119.070 0.259 0.000 2.966 105 H HA 0.414 4.970 4.556 -0.000 0.000 0.347 105 H C -1.188 174.288 175.328 0.247 0.000 1.048 105 H CA -0.803 55.373 56.048 0.212 0.000 1.295 105 H CB 1.211 31.061 29.762 0.146 0.000 1.744 105 H HN 0.639 nan 8.280 nan 0.000 0.513 106 c N 2.908 121.689 118.600 0.301 0.000 2.539 106 c HA 0.211 4.781 4.570 -0.000 0.000 0.392 106 c C 0.304 174.562 174.090 0.279 0.000 1.269 106 c CA -0.590 55.855 56.329 0.194 0.000 2.250 106 c CB -0.690 41.932 42.510 0.187 0.000 2.584 106 c HN 0.608 nan 8.230 nan 0.000 0.589 107 Y N 1.084 121.461 120.300 0.128 0.000 2.459 107 Y HA 0.069 4.619 4.550 -0.001 0.000 0.349 107 Y C 1.064 177.122 175.900 0.262 0.000 1.266 107 Y CA 0.081 58.277 58.100 0.160 0.000 1.483 107 Y CB -0.036 38.485 38.460 0.103 0.000 1.362 107 Y HN 0.598 nan 8.280 nan 0.000 0.628 108 D N 0.511 121.128 120.400 0.362 0.000 2.533 108 D HA 0.264 4.904 4.640 -0.000 0.000 0.236 108 D C 1.216 177.670 176.300 0.257 0.000 1.137 108 D CA 1.706 55.850 54.000 0.240 0.000 0.867 108 D CB 0.406 41.286 40.800 0.133 0.000 1.170 108 D HN 0.781 nan 8.370 nan 0.000 0.474 109 G N 1.266 110.145 108.800 0.131 0.000 2.175 109 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.244 109 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.244 109 G C -0.247 174.522 174.900 -0.219 0.000 0.982 109 G CA -0.162 44.905 45.100 -0.054 0.000 0.641 109 G HN 0.462 nan 8.290 nan 0.000 0.527 110 Y N 0.277 120.627 120.300 0.083 0.000 2.524 110 Y HA 0.682 5.232 4.550 0.000 0.000 0.344 110 Y C 0.522 176.452 175.900 0.051 0.000 1.012 110 Y CA -0.567 57.568 58.100 0.059 0.000 1.068 110 Y CB 2.307 40.795 38.460 0.048 0.000 1.249 110 Y HN 0.053 nan 8.280 nan 0.000 0.468 111 T N 3.482 118.146 114.554 0.184 0.000 2.829 111 T HA 0.382 4.732 4.350 -0.000 0.000 0.280 111 T C -1.200 173.557 174.700 0.094 0.000 0.999 111 T CA -0.615 61.553 62.100 0.112 0.000 0.983 111 T CB 1.187 70.094 68.868 0.064 0.000 0.968 111 T HN 0.368 nan 8.240 nan 0.000 0.446 112 L N 4.103 125.375 121.223 0.082 0.000 2.290 112 L HA 0.510 4.850 4.340 -0.000 0.000 0.284 112 L C -0.025 176.859 176.870 0.024 0.000 1.078 112 L CA 0.183 55.059 54.840 0.060 0.000 0.815 112 L CB 0.142 42.248 42.059 0.079 0.000 1.162 112 L HN 0.536 nan 8.230 nan 0.000 0.435 113 R N 3.503 124.001 120.500 -0.004 0.000 2.803 113 R HA 0.830 5.170 4.340 -0.000 0.000 0.276 113 R C -0.002 176.265 176.300 -0.056 0.000 0.978 113 R CA -0.429 55.657 56.100 -0.024 0.000 0.939 113 R CB 1.716 31.999 30.300 -0.027 0.000 1.179 113 R HN 0.968 nan 8.270 nan 0.000 0.472 114 G N 0.667 109.434 108.800 -0.056 0.000 2.615 114 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 114 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 114 G C -0.931 173.924 174.900 -0.076 0.000 1.339 114 G CA -0.764 44.287 45.100 -0.083 0.000 0.884 114 G HN 0.479 nan 8.290 nan 0.000 0.559 115 S N 0.817 116.457 115.700 -0.100 0.000 2.439 115 S HA 0.552 5.022 4.470 -0.000 0.000 0.282 115 S C 1.423 176.003 174.600 -0.034 0.000 1.170 115 S CA 0.672 58.840 58.200 -0.055 0.000 1.054 115 S CB 1.271 64.451 63.200 -0.035 0.000 0.956 115 S HN 1.744 nan 8.310 nan 0.000 0.490 116 A N 3.945 126.770 122.820 0.009 0.000 1.933 116 A HA -0.029 4.290 4.320 -0.000 0.000 0.218 116 A C 0.747 178.382 177.584 0.086 0.000 1.175 116 A CA 1.027 53.095 52.037 0.052 0.000 0.628 116 A CB -0.135 18.873 19.000 0.013 0.000 0.814 116 A HN 0.663 nan 8.150 nan 0.000 0.444 117 N N 0.305 119.033 118.700 0.046 0.000 2.372 117 N HA 0.498 5.237 4.740 -0.000 0.000 0.285 117 N C -0.957 174.589 175.510 0.060 0.000 1.008 117 N CA -0.198 52.870 53.050 0.029 0.000 0.880 117 N CB 1.452 39.950 38.487 0.019 0.000 1.239 117 N HN 0.322 nan 8.380 nan 0.000 0.484 118 R N 0.537 121.076 120.500 0.065 0.000 2.686 118 R HA 0.593 4.933 4.340 -0.000 0.000 0.286 118 R C -0.711 175.778 176.300 0.314 0.000 0.969 118 R CA -0.712 55.475 56.100 0.146 0.000 0.898 118 R CB 1.948 32.300 30.300 0.085 0.000 1.183 118 R HN 0.332 nan 8.270 nan 0.000 0.456 119 T N 0.781 115.545 114.554 0.350 0.000 2.829 119 T HA 0.167 4.517 4.350 -0.000 0.000 0.280 119 T C -0.499 174.298 174.700 0.162 0.000 0.999 119 T CA -0.471 61.798 62.100 0.283 0.000 0.983 119 T CB 1.536 70.476 68.868 0.120 0.000 0.968 119 T HN 0.597 nan 8.240 nan 0.000 0.446 120 c N 4.639 123.157 118.600 -0.137 0.000 2.555 120 c HA 0.339 4.909 4.570 -0.000 0.000 0.385 120 c C 0.401 174.322 174.090 -0.281 0.000 1.296 120 c CA -0.201 55.778 56.329 -0.582 0.000 1.757 120 c CB -1.425 40.628 42.510 -0.762 0.000 2.445 120 c HN 0.824 nan 8.230 nan 0.000 0.571 121 Q N 3.253 122.894 119.800 -0.265 0.000 2.193 121 Q HA 0.268 4.608 4.340 -0.000 0.000 0.246 121 Q C 0.808 176.709 176.000 -0.166 0.000 0.959 121 Q CA -0.626 55.078 55.803 -0.165 0.000 0.904 121 Q CB 1.663 30.323 28.738 -0.130 0.000 1.238 121 Q HN 0.634 nan 8.270 nan 0.000 0.469 122 V N 1.854 121.700 119.914 -0.114 0.000 3.078 122 V HA -0.162 3.958 4.120 -0.000 0.000 0.265 122 V C 0.965 177.013 176.094 -0.076 0.000 1.122 122 V CA 1.851 64.102 62.300 -0.082 0.000 1.141 122 V CB -0.583 31.224 31.823 -0.027 0.000 0.735 122 V HN 0.781 nan 8.190 nan 0.000 0.498 123 N N 0.283 118.855 118.700 -0.213 0.000 2.313 123 N HA 0.187 4.927 4.740 -0.000 0.000 0.207 123 N C 1.217 176.552 175.510 -0.292 0.000 1.141 123 N CA 0.689 53.436 53.050 -0.505 0.000 0.830 123 N CB 0.149 37.984 38.487 -1.086 0.000 1.008 123 N HN 0.464 nan 8.380 nan 0.000 0.481 124 G N 0.182 108.921 108.800 -0.102 0.000 2.155 124 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.257 124 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.257 124 G C -0.210 174.573 174.900 -0.195 0.000 0.983 124 G CA 0.046 45.151 45.100 0.009 0.000 0.676 124 G HN 0.434 nan 8.290 nan 0.000 0.528 125 R N -1.250 119.100 120.500 -0.250 0.000 2.732 125 R HA 0.523 4.863 4.340 -0.000 0.000 0.278 125 R C -0.446 175.718 176.300 -0.228 0.000 0.976 125 R CA -0.895 55.081 56.100 -0.207 0.000 0.963 125 R CB 0.897 31.105 30.300 -0.153 0.000 1.150 125 R HN 0.201 nan 8.270 nan 0.000 0.478 126 W N 1.246 122.499 121.300 -0.077 0.000 2.261 126 W HA 0.153 4.813 4.660 0.000 0.000 0.323 126 W C 1.108 177.588 176.519 -0.065 0.000 1.243 126 W CA -0.103 57.201 57.345 -0.068 0.000 1.210 126 W CB 0.843 30.255 29.460 -0.080 0.000 1.149 126 W HN 0.548 nan 8.180 nan 0.000 0.562 127 S N 2.723 118.550 115.700 0.211 0.000 2.589 127 S HA 0.719 5.188 4.470 -0.000 0.000 0.265 127 S C 0.751 175.406 174.600 0.093 0.000 1.342 127 S CA 0.136 58.399 58.200 0.105 0.000 1.005 127 S CB 0.801 64.048 63.200 0.078 0.000 0.909 127 S HN 1.418 nan 8.310 nan 0.000 0.555 128 G N 0.989 109.813 108.800 0.040 0.000 2.598 128 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.244 128 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.244 128 G C -1.061 173.832 174.900 -0.011 0.000 1.302 128 G CA 0.151 45.258 45.100 0.012 0.000 0.903 128 G HN 1.001 nan 8.290 nan 0.000 0.575 129 Q N -0.518 119.256 119.800 -0.043 0.000 2.387 129 Q HA 0.680 5.019 4.340 -0.000 0.000 0.273 129 Q C 0.202 176.122 176.000 -0.134 0.000 1.089 129 Q CA -0.219 55.541 55.803 -0.071 0.000 0.824 129 Q CB 1.586 30.289 28.738 -0.058 0.000 1.367 129 Q HN 0.745 nan 8.270 nan 0.000 0.443 130 T N 1.590 116.049 114.554 -0.158 0.000 2.866 130 T HA 0.226 4.576 4.350 -0.000 0.000 0.293 130 T C -0.176 174.360 174.700 -0.273 0.000 1.005 130 T CA 0.217 62.176 62.100 -0.236 0.000 1.162 130 T CB 0.012 68.759 68.868 -0.202 0.000 0.968 130 T HN 0.586 nan 8.240 nan 0.000 0.530 131 A N 4.741 127.285 122.820 -0.461 0.000 2.362 131 A HA 0.602 4.922 4.320 -0.000 0.000 0.276 131 A C 0.043 177.522 177.584 -0.174 0.000 1.153 131 A CA -0.510 51.270 52.037 -0.428 0.000 0.813 131 A CB -0.126 18.267 19.000 -1.012 0.000 1.081 131 A HN 0.847 nan 8.150 nan 0.000 0.507 132 I N 1.777 122.279 120.570 -0.113 0.000 2.498 132 I HA 0.262 4.432 4.170 -0.000 0.000 0.290 132 I C -0.774 175.277 176.117 -0.111 0.000 1.032 132 I CA -0.453 60.763 61.300 -0.140 0.000 1.073 132 I CB 2.077 39.992 38.000 -0.141 0.000 1.251 132 I HN 0.499 nan 8.210 nan 0.000 0.426 133 c N 3.815 122.278 118.600 -0.228 0.000 2.255 133 c HA 0.511 5.081 4.570 -0.000 0.000 0.326 133 c C -0.151 173.932 174.090 -0.011 0.000 1.258 133 c CA -0.189 56.062 56.329 -0.129 0.000 1.676 133 c CB -0.169 42.166 42.510 -0.291 0.000 2.314 133 c HN 0.603 nan 8.230 nan 0.000 0.509 134 D N 1.984 122.473 120.400 0.149 0.000 2.780 134 D HA 0.274 4.913 4.640 -0.000 0.000 0.242 134 D C 0.210 176.636 176.300 0.210 0.000 1.135 134 D CA -0.270 53.837 54.000 0.179 0.000 0.859 134 D CB 1.163 41.996 40.800 0.055 0.000 1.530 134 D HN 0.613 nan 8.370 nan 0.000 0.493 135 N N 1.941 120.738 118.700 0.163 0.000 2.270 135 N HA 0.136 4.876 4.740 -0.000 0.000 0.198 135 N C 1.088 176.594 175.510 -0.008 0.000 1.117 135 N CA 0.301 53.314 53.050 -0.062 0.000 0.845 135 N CB 0.265 38.564 38.487 -0.313 0.000 0.980 135 N HN 0.575 nan 8.380 nan 0.000 0.486 136 G N -0.458 108.368 108.800 0.044 0.000 2.341 136 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.292 136 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.292 136 G C 0.839 175.762 174.900 0.040 0.000 1.021 136 G CA 0.553 45.674 45.100 0.035 0.000 0.905 136 G HN 0.783 nan 8.290 nan 0.000 0.508 137 A N -0.731 122.136 122.820 0.078 0.000 2.063 137 A HA 0.640 4.960 4.320 -0.000 0.000 0.211 137 A C 1.867 179.520 177.584 0.116 0.000 1.177 137 A CA 1.467 53.550 52.037 0.077 0.000 0.759 137 A CB -0.035 19.008 19.000 0.073 0.000 0.857 137 A HN 1.769 nan 8.150 nan 0.000 0.468 138 G N -2.238 106.675 108.800 0.188 0.000 2.594 138 G HA2 0.224 4.183 3.960 -0.000 0.000 0.243 138 G HA3 0.224 4.183 3.960 -0.000 0.000 0.243 138 G C 0.524 175.523 174.900 0.164 0.000 1.229 138 G CA 0.085 45.330 45.100 0.242 0.000 0.843 138 G HN 0.312 nan 8.290 nan 0.000 0.578 139 Y N 0.456 120.784 120.300 0.047 0.000 2.081 139 Y HA -0.171 4.378 4.550 -0.001 0.000 0.280 139 Y C 1.872 177.740 175.900 -0.054 0.000 1.163 139 Y CA 1.166 59.256 58.100 -0.018 0.000 1.135 139 Y CB -0.096 38.333 38.460 -0.052 0.000 0.970 139 Y HN 0.427 nan 8.280 nan 0.000 0.498 140 c N 0.531 119.189 118.600 0.095 0.000 2.335 140 c HA 0.471 5.041 4.570 -0.000 0.000 0.363 140 c C 0.631 174.774 174.090 0.087 0.000 1.198 140 c CA -0.575 55.714 56.329 -0.067 0.000 2.279 140 c CB 0.711 42.930 42.510 -0.484 0.000 2.334 140 c HN 0.576 nan 8.230 nan 0.000 0.559 141 S N 1.949 117.717 115.700 0.114 0.000 2.596 141 S HA 0.066 4.535 4.470 -0.000 0.000 0.260 141 S C -0.069 174.581 174.600 0.083 0.000 1.336 141 S CA -0.211 58.056 58.200 0.112 0.000 0.993 141 S CB 0.215 63.465 63.200 0.083 0.000 0.923 141 S HN 0.793 nan 8.310 nan 0.000 0.567 142 N N 1.707 120.309 118.700 -0.164 0.000 2.452 142 N HA 0.206 4.946 4.740 -0.000 0.000 0.266 142 N C -1.785 173.489 175.510 -0.393 0.000 1.175 142 N CA -1.974 50.745 53.050 -0.552 0.000 0.945 142 N CB 0.925 39.217 38.487 -0.324 0.000 1.063 142 N HN 0.342 nan 8.380 nan 0.000 0.472 143 P HA 0.099 nan 4.420 nan 0.000 0.223 143 P C 0.338 177.449 177.300 -0.314 0.000 1.151 143 P CA 0.676 63.416 63.100 -0.600 0.000 0.787 143 P CB -0.019 31.030 31.700 -1.084 0.000 0.788 144 G N -0.117 108.529 108.800 -0.257 0.000 2.712 144 G HA2 -0.135 3.824 3.960 -0.000 0.000 0.683 144 G HA3 -0.135 3.824 3.960 -0.000 0.000 0.683 144 G C -0.924 173.946 174.900 -0.049 0.000 1.320 144 G CA -0.630 44.370 45.100 -0.167 0.000 0.847 144 G HN 0.148 nan 8.290 nan 0.000 0.553 145 I N 1.557 122.094 120.570 -0.056 0.000 2.563 145 I HA 0.260 4.430 4.170 -0.000 0.000 0.276 145 I C -2.285 173.785 176.117 -0.077 0.000 1.074 145 I CA -1.759 59.553 61.300 0.019 0.000 1.124 145 I CB 1.939 39.954 38.000 0.025 0.000 1.225 145 I HN 0.178 nan 8.210 nan 0.000 0.482 146 P HA 0.036 nan 4.420 nan 0.000 0.264 146 P C 0.043 177.250 177.300 -0.155 0.000 1.179 146 P CA 0.210 63.195 63.100 -0.192 0.000 0.763 146 P CB 0.522 32.069 31.700 -0.255 0.000 0.806 147 I N 2.105 122.575 120.570 -0.165 0.000 2.668 147 I HA 0.080 4.250 4.170 -0.000 0.000 0.285 147 I C 1.689 177.750 176.117 -0.093 0.000 1.168 147 I CA 1.277 62.486 61.300 -0.150 0.000 1.424 147 I CB -0.511 37.339 38.000 -0.251 0.000 1.377 147 I HN 0.759 nan 8.210 nan 0.000 0.560 148 G N 3.782 112.502 108.800 -0.135 0.000 2.238 148 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.217 148 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.217 148 G C 0.340 174.978 174.900 -0.437 0.000 0.996 148 G CA 0.084 45.018 45.100 -0.277 0.000 0.632 148 G HN 0.757 nan 8.290 nan 0.000 0.503 149 T N -1.320 113.083 114.554 -0.252 0.000 2.927 149 T HA 0.769 5.119 4.350 -0.000 0.000 0.281 149 T C 0.015 174.622 174.700 -0.155 0.000 0.998 149 T CA -0.419 61.563 62.100 -0.196 0.000 1.019 149 T CB 2.236 71.060 68.868 -0.073 0.000 1.061 149 T HN 0.444 nan 8.240 nan 0.000 0.518 150 R N 0.442 120.803 120.500 -0.232 0.000 2.599 150 R HA 0.517 4.857 4.340 -0.000 0.000 0.295 150 R C -0.603 175.592 176.300 -0.177 0.000 0.963 150 R CA -0.890 55.087 56.100 -0.206 0.000 0.883 150 R CB 1.951 32.051 30.300 -0.333 0.000 1.171 150 R HN 0.701 nan 8.270 nan 0.000 0.450 151 K N 2.157 122.485 120.400 -0.119 0.000 2.159 151 K HA 0.446 4.766 4.320 -0.000 0.000 0.266 151 K C -1.151 175.349 176.600 -0.167 0.000 0.975 151 K CA -0.561 55.553 56.287 -0.288 0.000 0.865 151 K CB 1.457 33.763 32.500 -0.323 0.000 1.087 151 K HN 0.262 nan 8.250 nan 0.000 0.446 152 V N 2.579 122.383 119.914 -0.184 0.000 2.495 152 V HA 0.723 4.842 4.120 -0.000 0.000 0.298 152 V C -0.123 175.904 176.094 -0.113 0.000 1.031 152 V CA -0.110 62.141 62.300 -0.082 0.000 0.871 152 V CB 1.093 32.911 31.823 -0.009 0.000 0.988 152 V HN 1.030 nan 8.190 nan 0.000 0.432 153 G N 3.248 112.006 108.800 -0.071 0.000 3.435 153 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.683 153 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.683 153 G C -0.099 174.759 174.900 -0.070 0.000 1.189 153 G CA -0.091 44.974 45.100 -0.059 0.000 1.069 153 G HN 0.692 nan 8.290 nan 0.000 0.508 154 S N 1.243 116.844 115.700 -0.165 0.000 2.730 154 S HA 0.265 4.734 4.470 -0.000 0.000 0.244 154 S C 0.743 174.868 174.600 -0.793 0.000 1.022 154 S CA 0.048 58.044 58.200 -0.340 0.000 1.014 154 S CB 0.222 63.328 63.200 -0.157 0.000 0.963 154 S HN 0.641 nan 8.310 nan 0.000 0.540 155 Q N 0.541 119.987 119.800 -0.589 0.000 2.293 155 Q HA 0.362 4.702 4.340 -0.000 0.000 0.261 155 Q C -1.350 174.457 176.000 -0.320 0.000 0.960 155 Q CA -0.424 55.086 55.803 -0.487 0.000 0.882 155 Q CB 1.177 29.810 28.738 -0.175 0.000 1.275 155 Q HN 0.360 nan 8.270 nan 0.000 0.445 156 Y N 0.895 121.305 120.300 0.183 0.000 2.669 156 Y HA 0.318 4.867 4.550 -0.001 0.000 0.302 156 Y C -0.099 175.864 175.900 0.104 0.000 1.000 156 Y CA -0.602 57.650 58.100 0.253 0.000 1.222 156 Y CB 0.310 38.980 38.460 0.349 0.000 1.209 156 Y HN 0.329 nan 8.280 nan 0.000 0.571 157 R N 0.096 120.671 120.500 0.125 0.000 2.541 157 R HA 0.405 4.745 4.340 -0.000 0.000 0.263 157 R C -0.502 175.720 176.300 -0.129 0.000 1.112 157 R CA -1.308 54.810 56.100 0.029 0.000 1.170 157 R CB 0.689 30.979 30.300 -0.016 0.000 1.167 157 R HN 0.123 nan 8.270 nan 0.000 0.582 158 L N 2.756 123.753 121.223 -0.377 0.000 2.584 158 L HA -0.068 4.272 4.340 -0.000 0.000 0.272 158 L C 0.027 176.725 176.870 -0.287 0.000 1.195 158 L CA 1.004 55.500 54.840 -0.573 0.000 0.920 158 L CB -0.363 41.139 42.059 -0.928 0.000 1.173 158 L HN 0.678 nan 8.230 nan 0.000 0.489 159 E N 1.207 121.271 120.200 -0.226 0.000 4.129 159 E HA -0.208 4.141 4.350 -0.000 0.000 0.354 159 E C -0.254 176.317 176.600 -0.048 0.000 0.673 159 E CA 0.978 57.306 56.400 -0.121 0.000 1.347 159 E CB -1.373 28.262 29.700 -0.108 0.000 1.722 159 E HN 0.806 nan 8.360 nan 0.000 0.410 160 D N 0.474 120.854 120.400 -0.033 0.000 2.372 160 D HA 0.300 4.940 4.640 -0.000 0.000 0.243 160 D C 0.148 176.572 176.300 0.208 0.000 1.121 160 D CA 0.408 54.453 54.000 0.074 0.000 0.898 160 D CB 0.816 41.684 40.800 0.113 0.000 1.202 160 D HN -0.116 nan 8.370 nan 0.000 0.428 161 S N -0.112 115.722 115.700 0.222 0.000 2.566 161 S HA 0.663 5.133 4.470 -0.000 0.000 0.298 161 S C -0.455 174.267 174.600 0.203 0.000 1.083 161 S CA -0.866 57.502 58.200 0.280 0.000 0.978 161 S CB 1.917 65.207 63.200 0.151 0.000 1.073 161 S HN 0.324 nan 8.310 nan 0.000 0.491 162 V N -0.122 119.862 119.914 0.116 0.000 2.823 162 V HA 0.962 5.082 4.120 -0.000 0.000 0.312 162 V C -0.326 175.657 176.094 -0.185 0.000 1.072 162 V CA -0.767 61.461 62.300 -0.121 0.000 0.937 162 V CB 1.369 32.984 31.823 -0.346 0.000 1.013 162 V HN 0.944 nan 8.190 nan 0.000 0.430 163 T N 1.006 115.413 114.554 -0.245 0.000 2.908 163 T HA 0.802 5.151 4.350 -0.000 0.000 0.290 163 T C -1.167 173.351 174.700 -0.302 0.000 1.034 163 T CA -0.524 61.485 62.100 -0.151 0.000 1.010 163 T CB 1.650 70.511 68.868 -0.012 0.000 1.068 163 T HN 0.685 nan 8.240 nan 0.000 0.481 164 Y N 1.160 121.481 120.300 0.035 0.000 2.524 164 Y HA 0.636 5.186 4.550 -0.000 0.000 0.344 164 Y C 0.584 176.545 175.900 0.102 0.000 1.012 164 Y CA -0.794 57.309 58.100 0.005 0.000 1.068 164 Y CB 1.898 40.319 38.460 -0.064 0.000 1.249 164 Y HN 0.932 nan 8.280 nan 0.000 0.468 165 H N -0.930 118.223 119.070 0.138 0.000 3.012 165 H HA 0.635 5.190 4.556 -0.000 0.000 0.367 165 H C -1.542 173.812 175.328 0.043 0.000 1.211 165 H CA -1.190 54.904 56.048 0.076 0.000 1.139 165 H CB 0.958 30.754 29.762 0.056 0.000 1.838 165 H HN 0.672 nan 8.280 nan 0.000 0.550 166 c N 0.423 119.072 118.600 0.081 0.000 2.349 166 c HA 0.434 5.003 4.570 -0.000 0.000 0.361 166 c C 1.041 175.179 174.090 0.081 0.000 1.189 166 c CA -0.430 55.889 56.329 -0.016 0.000 2.155 166 c CB 1.457 43.954 42.510 -0.022 0.000 2.336 166 c HN 0.848 nan 8.230 nan 0.000 0.540 167 S N 1.029 116.762 115.700 0.056 0.000 2.510 167 S HA 0.160 4.630 4.470 -0.000 0.000 0.279 167 S C 0.391 175.068 174.600 0.128 0.000 1.284 167 S CA -0.200 58.103 58.200 0.172 0.000 1.059 167 S CB 0.024 63.390 63.200 0.276 0.000 0.901 167 S HN 0.574 nan 8.310 nan 0.000 0.491 168 R N 2.347 122.924 120.500 0.129 0.000 2.566 168 R HA 0.191 4.531 4.340 -0.000 0.000 0.273 168 R C 1.519 177.879 176.300 0.101 0.000 0.981 168 R CA 1.077 57.237 56.100 0.099 0.000 1.091 168 R CB -0.024 30.329 30.300 0.087 0.000 0.924 168 R HN 0.999 nan 8.270 nan 0.000 0.411 169 G N 1.393 110.246 108.800 0.089 0.000 2.352 169 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.204 169 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.204 169 G C -0.494 174.453 174.900 0.078 0.000 1.004 169 G CA -0.587 44.575 45.100 0.104 0.000 0.648 169 G HN 0.350 nan 8.290 nan 0.000 0.491 170 L N 1.506 122.760 121.223 0.052 0.000 2.303 170 L HA 0.809 5.149 4.340 -0.000 0.000 0.266 170 L C 0.694 177.567 176.870 0.004 0.000 1.011 170 L CA -0.115 54.730 54.840 0.008 0.000 0.818 170 L CB 2.001 44.050 42.059 -0.017 0.000 1.326 170 L HN 0.385 nan 8.230 nan 0.000 0.435 171 T N -0.788 113.753 114.554 -0.021 0.000 2.855 171 T HA 0.618 4.968 4.350 -0.000 0.000 0.281 171 T C -0.563 174.119 174.700 -0.030 0.000 1.007 171 T CA -0.701 61.390 62.100 -0.014 0.000 1.009 171 T CB 1.265 70.124 68.868 -0.015 0.000 0.983 171 T HN 0.303 nan 8.240 nan 0.000 0.455 172 L N 3.011 124.225 121.223 -0.016 0.000 2.315 172 L HA 0.421 4.761 4.340 -0.000 0.000 0.283 172 L C 0.626 177.470 176.870 -0.043 0.000 1.089 172 L CA -0.202 54.619 54.840 -0.031 0.000 0.833 172 L CB 0.228 42.286 42.059 -0.000 0.000 1.170 172 L HN 0.800 nan 8.230 nan 0.000 0.442 173 R N 4.093 124.551 120.500 -0.070 0.000 2.500 173 R HA 0.692 5.032 4.340 -0.000 0.000 0.277 173 R C 0.457 176.702 176.300 -0.091 0.000 1.026 173 R CA 0.351 56.404 56.100 -0.078 0.000 1.058 173 R CB 0.734 30.980 30.300 -0.090 0.000 1.078 173 R HN 0.890 nan 8.270 nan 0.000 0.509 174 G N 1.334 110.082 108.800 -0.086 0.000 2.542 174 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.235 174 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.235 174 G C -1.073 173.791 174.900 -0.060 0.000 1.286 174 G CA -0.172 44.877 45.100 -0.086 0.000 0.904 174 G HN 0.654 nan 8.290 nan 0.000 0.577 175 S N 0.813 116.479 115.700 -0.058 0.000 2.457 175 S HA 0.451 4.921 4.470 -0.000 0.000 0.289 175 S C 1.237 175.867 174.600 0.050 0.000 1.163 175 S CA 0.567 58.767 58.200 -0.000 0.000 1.078 175 S CB 1.612 64.828 63.200 0.025 0.000 0.987 175 S HN 0.968 nan 8.310 nan 0.000 0.482 176 Q N 2.986 122.833 119.800 0.079 0.000 2.269 176 Q HA 0.091 4.431 4.340 -0.000 0.000 0.201 176 Q C 0.701 176.807 176.000 0.177 0.000 0.946 176 Q CA 0.929 56.814 55.803 0.137 0.000 0.877 176 Q CB 0.254 29.049 28.738 0.095 0.000 0.963 176 Q HN 0.552 nan 8.270 nan 0.000 0.472 177 R N 0.124 120.704 120.500 0.133 0.000 2.621 177 R HA 0.534 4.874 4.340 -0.000 0.000 0.292 177 R C -1.287 175.104 176.300 0.151 0.000 0.969 177 R CA -0.751 55.423 56.100 0.124 0.000 0.887 177 R CB 1.313 31.663 30.300 0.084 0.000 1.180 177 R HN 0.130 nan 8.270 nan 0.000 0.450 178 R N 2.036 122.646 120.500 0.184 0.000 2.686 178 R HA 0.418 4.758 4.340 -0.000 0.000 0.283 178 R C -1.174 175.405 176.300 0.465 0.000 0.978 178 R CA -0.969 55.299 56.100 0.281 0.000 0.897 178 R CB 2.687 33.144 30.300 0.261 0.000 1.192 178 R HN 0.537 nan 8.270 nan 0.000 0.457 179 T N 0.795 115.624 114.554 0.458 0.000 2.841 179 T HA 0.169 4.519 4.350 -0.000 0.000 0.283 179 T C -0.527 174.227 174.700 0.091 0.000 1.000 179 T CA -0.487 61.815 62.100 0.335 0.000 0.977 179 T CB 1.654 70.606 68.868 0.140 0.000 0.979 179 T HN 0.643 nan 8.240 nan 0.000 0.446 180 c N 4.532 122.928 118.600 -0.340 0.000 2.566 180 c HA 0.343 4.913 4.570 -0.000 0.000 0.393 180 c C 0.398 174.291 174.090 -0.329 0.000 1.309 180 c CA -0.094 55.766 56.329 -0.783 0.000 1.801 180 c CB -1.455 40.503 42.510 -0.920 0.000 2.493 180 c HN 0.828 nan 8.230 nan 0.000 0.575 181 Q N 2.778 122.439 119.800 -0.231 0.000 2.204 181 Q HA 0.215 4.555 4.340 -0.000 0.000 0.254 181 Q C 1.000 177.003 176.000 0.005 0.000 0.981 181 Q CA -0.437 55.310 55.803 -0.093 0.000 0.897 181 Q CB 1.278 29.990 28.738 -0.044 0.000 1.273 181 Q HN 0.851 nan 8.270 nan 0.000 0.464 182 E N 0.847 121.051 120.200 0.008 0.000 2.130 182 E HA -0.203 4.147 4.350 -0.000 0.000 0.196 182 E C 1.374 178.081 176.600 0.177 0.000 0.998 182 E CA 1.427 57.881 56.400 0.090 0.000 0.806 182 E CB -0.178 29.540 29.700 0.030 0.000 0.738 182 E HN 0.884 nan 8.360 nan 0.000 0.459 183 G N -1.052 107.794 108.800 0.077 0.000 2.744 183 G HA2 0.068 4.028 3.960 -0.000 0.000 0.211 183 G HA3 0.068 4.028 3.960 -0.000 0.000 0.211 183 G C 1.054 175.949 174.900 -0.009 0.000 1.143 183 G CA 0.473 45.592 45.100 0.032 0.000 0.788 183 G HN 0.537 nan 8.290 nan 0.000 0.534 184 G N -0.788 108.015 108.800 0.005 0.000 2.195 184 G HA2 -0.172 3.787 3.960 -0.000 0.000 0.224 184 G HA3 -0.172 3.787 3.960 -0.000 0.000 0.224 184 G C 0.585 175.409 174.900 -0.126 0.000 0.990 184 G CA 0.677 45.709 45.100 -0.113 0.000 0.639 184 G HN 1.453 nan 8.290 nan 0.000 0.514 185 S N -0.911 114.733 115.700 -0.093 0.000 2.718 185 S HA 0.745 5.215 4.470 -0.000 0.000 0.300 185 S C -0.392 174.123 174.600 -0.141 0.000 1.117 185 S CA -0.824 57.339 58.200 -0.063 0.000 1.002 185 S CB 1.505 64.720 63.200 0.025 0.000 1.092 185 S HN 0.458 nan 8.310 nan 0.000 0.542 186 W N 2.083 123.405 121.300 0.037 0.000 2.365 186 W HA 0.491 5.151 4.660 -0.000 0.000 0.316 186 W C 1.059 177.599 176.519 0.036 0.000 1.164 186 W CA -0.312 57.060 57.345 0.045 0.000 1.204 186 W CB 1.068 30.553 29.460 0.043 0.000 1.213 186 W HN 0.914 nan 8.180 nan 0.000 0.539 187 S N 2.743 118.600 115.700 0.262 0.000 2.587 187 S HA 0.634 5.104 4.470 -0.000 0.000 0.260 187 S C 0.934 175.631 174.600 0.162 0.000 1.353 187 S CA 0.132 58.428 58.200 0.160 0.000 0.995 187 S CB 0.503 63.777 63.200 0.123 0.000 0.912 187 S HN 1.380 nan 8.310 nan 0.000 0.568 188 G N 0.157 109.011 108.800 0.090 0.000 2.564 188 G HA2 -0.057 3.902 3.960 -0.000 0.000 0.273 188 G HA3 -0.057 3.902 3.960 -0.000 0.000 0.273 188 G C -0.011 174.919 174.900 0.051 0.000 1.242 188 G CA 0.215 45.349 45.100 0.057 0.000 0.951 188 G HN 1.753 nan 8.290 nan 0.000 0.564 189 T N -0.749 113.817 114.554 0.020 0.000 2.894 189 T HA 0.498 4.848 4.350 -0.000 0.000 0.309 189 T C -0.366 174.293 174.700 -0.069 0.000 1.208 189 T CA 0.560 62.656 62.100 -0.006 0.000 1.016 189 T CB 1.652 70.516 68.868 -0.008 0.000 1.192 189 T HN 0.906 nan 8.240 nan 0.000 0.491 190 E N 3.440 123.579 120.200 -0.100 0.000 2.465 190 E HA 0.197 4.547 4.350 -0.000 0.000 0.260 190 E C -2.110 174.341 176.600 -0.249 0.000 0.980 190 E CA -1.196 55.078 56.400 -0.210 0.000 0.927 190 E CB 0.542 30.131 29.700 -0.184 0.000 0.934 190 E HN 0.265 nan 8.360 nan 0.000 0.459 191 P HA 0.111 nan 4.420 nan 0.000 0.276 191 P C -1.258 175.866 177.300 -0.294 0.000 1.244 191 P CA -0.422 62.470 63.100 -0.346 0.000 0.801 191 P CB 1.342 32.736 31.700 -0.509 0.000 1.006 192 S N -0.572 115.007 115.700 -0.202 0.000 2.638 192 S HA 0.550 5.020 4.470 -0.000 0.000 0.274 192 S C -1.160 173.361 174.600 -0.132 0.000 1.157 192 S CA -0.692 57.411 58.200 -0.162 0.000 0.826 192 S CB 0.533 63.657 63.200 -0.126 0.000 1.139 192 S HN 0.463 nan 8.310 nan 0.000 0.474 193 c N 2.224 120.753 118.600 -0.118 0.000 2.295 193 c HA 0.721 5.290 4.570 -0.000 0.000 0.331 193 c C -0.532 173.485 174.090 -0.122 0.000 1.280 193 c CA -0.452 55.812 56.329 -0.109 0.000 1.746 193 c CB 0.550 42.994 42.510 -0.110 0.000 2.328 193 c HN 0.744 nan 8.230 nan 0.000 0.521 194 Q N 2.674 122.400 119.800 -0.122 0.000 2.322 194 Q HA 0.416 4.756 4.340 -0.000 0.000 0.265 194 Q C -0.665 175.218 176.000 -0.195 0.000 0.985 194 Q CA -0.217 55.489 55.803 -0.163 0.000 0.849 194 Q CB 2.151 30.818 28.738 -0.119 0.000 1.274 194 Q HN 0.693 nan 8.270 nan 0.000 0.449 195 D N 0.048 120.233 120.400 -0.358 0.000 2.440 195 D HA 0.174 4.814 4.640 -0.000 0.000 0.258 195 D C 1.023 177.066 176.300 -0.428 0.000 1.092 195 D CA -0.214 53.529 54.000 -0.428 0.000 1.016 195 D CB 1.501 41.851 40.800 -0.750 0.000 1.141 195 D HN 0.436 nan 8.370 nan 0.000 0.552 196 S N 0.274 115.831 115.700 -0.240 0.000 2.399 196 S HA -0.197 4.273 4.470 -0.000 0.000 0.231 196 S C 1.875 176.458 174.600 -0.028 0.000 1.022 196 S CA 1.095 59.269 58.200 -0.045 0.000 0.983 196 S CB -0.637 62.652 63.200 0.149 0.000 0.803 196 S HN 0.578 nan 8.310 nan 0.000 0.480 197 F N 0.384 120.267 119.950 -0.112 0.000 2.789 197 F HA 0.527 5.054 4.527 -0.000 0.000 0.300 197 F C 0.846 176.676 175.800 0.050 0.000 1.132 197 F CA -1.083 56.880 58.000 -0.062 0.000 1.404 197 F CB -0.709 38.075 39.000 -0.360 0.000 1.114 197 F HN 0.017 nan 8.300 nan 0.000 0.584 198 M N 1.675 120.993 119.600 -0.470 0.000 2.240 198 M HA 0.286 4.766 4.480 -0.000 0.000 0.333 198 M C -0.935 175.368 176.300 0.005 0.000 1.110 198 M CA -0.186 54.923 55.300 -0.318 0.000 1.173 198 M CB 0.687 33.008 32.600 -0.465 0.000 1.458 198 M HN 0.359 nan 8.290 nan 0.000 0.458 199 Y N -1.455 118.807 120.300 -0.063 0.000 2.641 199 Y HA 0.466 5.016 4.550 -0.000 0.000 0.333 199 Y C -1.564 174.336 175.900 0.001 0.000 1.174 199 Y CA -1.705 56.387 58.100 -0.014 0.000 1.057 199 Y CB 0.700 39.170 38.460 0.018 0.000 1.322 199 Y HN 0.513 nan 8.280 nan 0.000 0.457 200 D N 2.047 122.561 120.400 0.189 0.000 2.302 200 D HA 0.232 4.872 4.640 -0.000 0.000 0.248 200 D C 0.161 176.592 176.300 0.218 0.000 1.094 200 D CA 0.014 54.092 54.000 0.129 0.000 0.897 200 D CB 1.900 42.799 40.800 0.166 0.000 1.200 200 D HN 0.761 nan 8.370 nan 0.000 0.429 201 T N -0.839 113.784 114.554 0.114 0.000 2.860 201 T HA 0.156 4.506 4.350 -0.000 0.000 0.299 201 T C -1.822 172.911 174.700 0.055 0.000 1.045 201 T CA -1.307 60.869 62.100 0.127 0.000 1.071 201 T CB 1.346 70.250 68.868 0.060 0.000 0.985 201 T HN 0.014 nan 8.240 nan 0.000 0.537 202 P HA -0.063 nan 4.420 nan 0.000 0.217 202 P C 1.521 178.753 177.300 -0.112 0.000 1.150 202 P CA 0.943 64.017 63.100 -0.043 0.000 0.832 202 P CB 0.035 31.715 31.700 -0.034 0.000 0.787 203 Q N 0.199 119.938 119.800 -0.101 0.000 2.050 203 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 203 Q C 2.130 177.985 176.000 -0.241 0.000 0.980 203 Q CA 1.658 57.334 55.803 -0.212 0.000 0.840 203 Q CB -1.037 27.607 28.738 -0.158 0.000 0.898 203 Q HN 0.389 nan 8.270 nan 0.000 0.424 204 E N -0.369 119.753 120.200 -0.130 0.000 2.085 204 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 204 E C 1.962 178.512 176.600 -0.083 0.000 0.994 204 E CA 1.497 57.845 56.400 -0.086 0.000 0.801 204 E CB -0.089 29.600 29.700 -0.019 0.000 0.743 204 E HN 0.129 nan 8.360 nan 0.000 0.453 205 V N 1.185 121.028 119.914 -0.118 0.000 2.307 205 V HA -0.253 3.867 4.120 -0.000 0.000 0.245 205 V C 2.310 178.219 176.094 -0.309 0.000 1.045 205 V CA 1.706 63.846 62.300 -0.267 0.000 1.024 205 V CB -0.793 30.837 31.823 -0.323 0.000 0.651 205 V HN 0.331 nan 8.190 nan 0.000 0.449 206 A N 0.339 123.002 122.820 -0.261 0.000 1.873 206 A HA -0.312 4.008 4.320 -0.000 0.000 0.218 206 A C 2.216 179.814 177.584 0.023 0.000 1.193 206 A CA 2.394 54.337 52.037 -0.156 0.000 0.629 206 A CB -0.603 18.264 19.000 -0.221 0.000 0.826 206 A HN 0.576 nan 8.150 nan 0.000 0.447 207 E N 0.237 120.355 120.200 -0.136 0.000 2.051 207 E HA -0.068 4.281 4.350 -0.000 0.000 0.192 207 E C 2.020 178.693 176.600 0.122 0.000 0.991 207 E CA 1.867 58.290 56.400 0.038 0.000 0.799 207 E CB -0.598 29.012 29.700 -0.150 0.000 0.748 207 E HN 0.454 nan 8.360 nan 0.000 0.449 208 A N -0.233 122.636 122.820 0.081 0.000 1.902 208 A HA -0.114 4.205 4.320 -0.000 0.000 0.217 208 A C 2.247 179.955 177.584 0.206 0.000 1.181 208 A CA 1.507 53.644 52.037 0.167 0.000 0.623 208 A CB -0.936 18.235 19.000 0.286 0.000 0.818 208 A HN 0.463 nan 8.150 nan 0.000 0.443 209 F N -0.211 119.716 119.950 -0.039 0.000 2.098 209 F HA -0.035 4.491 4.527 -0.000 0.000 0.294 209 F C 1.828 177.613 175.800 -0.025 0.000 1.107 209 F CA 1.544 59.501 58.000 -0.070 0.000 1.234 209 F CB -0.390 38.418 39.000 -0.319 0.000 1.002 209 F HN 0.157 nan 8.300 nan 0.000 0.472 210 L N 0.135 121.382 121.223 0.041 0.000 2.083 210 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 210 L C 2.774 179.618 176.870 -0.043 0.000 1.083 210 L CA 2.097 56.930 54.840 -0.011 0.000 0.752 210 L CB -1.132 41.065 42.059 0.229 0.000 0.899 210 L HN 0.392 nan 8.230 nan 0.000 0.433 211 S N -2.317 113.412 115.700 0.049 0.000 2.402 211 S HA -0.172 4.298 4.470 -0.000 0.000 0.229 211 S C 2.271 176.865 174.600 -0.011 0.000 1.021 211 S CA 1.513 59.740 58.200 0.046 0.000 0.974 211 S CB -0.367 62.897 63.200 0.106 0.000 0.800 211 S HN 0.559 nan 8.310 nan 0.000 0.484 212 S N 0.322 115.998 115.700 -0.039 0.000 2.371 212 S HA 0.043 4.513 4.470 -0.000 0.000 0.224 212 S C 1.789 176.356 174.600 -0.056 0.000 1.029 212 S CA 1.041 59.223 58.200 -0.031 0.000 0.978 212 S CB -0.525 62.661 63.200 -0.023 0.000 0.833 212 S HN 0.540 nan 8.310 nan 0.000 0.466 213 L N 1.888 122.979 121.223 -0.221 0.000 2.179 213 L HA 0.192 4.532 4.340 -0.000 0.000 0.208 213 L C 1.285 178.035 176.870 -0.199 0.000 1.096 213 L CA 1.577 56.271 54.840 -0.244 0.000 0.779 213 L CB -0.509 41.199 42.059 -0.586 0.000 0.922 213 L HN 0.567 nan 8.230 nan 0.000 0.443 214 T N -2.970 111.458 114.554 -0.210 0.000 2.919 214 T HA 0.533 4.883 4.350 -0.000 0.000 0.282 214 T C -0.371 174.244 174.700 -0.142 0.000 1.020 214 T CA -0.841 61.114 62.100 -0.242 0.000 0.994 214 T CB 1.454 70.121 68.868 -0.336 0.000 1.180 214 T HN 0.201 nan 8.240 nan 0.000 0.566 215 E N 0.078 120.194 120.200 -0.140 0.000 2.234 215 E HA 0.503 4.853 4.350 -0.000 0.000 0.266 215 E C -0.730 175.834 176.600 -0.060 0.000 0.877 215 E CA -0.839 55.514 56.400 -0.078 0.000 0.758 215 E CB 2.281 31.939 29.700 -0.070 0.000 1.170 215 E HN 0.770 nan 8.360 nan 0.000 0.415 234 R N 1.009 121.559 120.500 0.083 0.000 2.854 234 R HA 0.498 4.838 4.340 -0.000 0.000 0.271 234 R C -1.133 175.194 176.300 0.046 0.000 0.996 234 R CA -1.123 55.013 56.100 0.060 0.000 0.961 234 R CB 2.122 32.465 30.300 0.071 0.000 1.182 234 R HN 0.621 nan 8.270 nan 0.000 0.479 235 K N 1.012 121.310 120.400 -0.170 0.000 2.523 235 K HA 0.402 4.722 4.320 -0.000 0.000 0.257 235 K C -1.019 175.341 176.600 -0.400 0.000 0.932 235 K CA -0.711 55.434 56.287 -0.237 0.000 0.812 235 K CB 1.668 34.120 32.500 -0.080 0.000 1.326 235 K HN 0.392 nan 8.250 nan 0.000 0.433 236 I N 2.794 123.094 120.570 -0.449 0.000 2.416 236 I HA 0.116 4.286 4.170 -0.000 0.000 0.288 236 I C -0.352 175.669 176.117 -0.160 0.000 1.051 236 I CA -1.006 60.106 61.300 -0.313 0.000 1.375 236 I CB 1.556 39.403 38.000 -0.256 0.000 1.407 236 I HN 0.339 nan 8.210 nan 0.000 0.516 237 V N 8.134 127.967 119.914 -0.136 0.000 2.394 237 V HA 0.471 4.591 4.120 -0.000 0.000 0.282 237 V C 0.128 176.169 176.094 -0.089 0.000 1.031 237 V CA -0.339 61.901 62.300 -0.099 0.000 0.881 237 V CB 1.458 33.223 31.823 -0.096 0.000 0.982 237 V HN 0.495 nan 8.190 nan 0.000 0.451 238 L N 2.534 123.717 121.223 -0.066 0.000 2.359 238 L HA 0.601 4.941 4.340 -0.000 0.000 0.256 238 L C -0.548 176.305 176.870 -0.029 0.000 1.026 238 L CA -1.069 53.740 54.840 -0.050 0.000 0.828 238 L CB 2.076 44.114 42.059 -0.036 0.000 1.406 238 L HN 0.405 nan 8.230 nan 0.000 0.413 239 D N 1.258 121.661 120.400 0.004 0.000 2.419 239 D HA 0.113 4.753 4.640 -0.000 0.000 0.236 239 D C -2.335 173.966 176.300 0.001 0.000 1.165 239 D CA -0.244 53.770 54.000 0.024 0.000 0.882 239 D CB 0.457 41.297 40.800 0.068 0.000 1.201 239 D HN 0.162 nan 8.370 nan 0.000 0.443 240 P HA 0.012 nan 4.420 nan 0.000 0.263 240 P C -0.315 176.978 177.300 -0.012 0.000 1.195 240 P CA 0.352 63.447 63.100 -0.009 0.000 0.762 240 P CB 0.629 32.323 31.700 -0.010 0.000 0.799 241 S N 1.621 117.314 115.700 -0.013 0.000 3.783 241 S HA -0.104 4.366 4.470 -0.000 0.000 0.360 241 S C 0.558 175.149 174.600 -0.016 0.000 1.006 241 S CA 0.521 58.712 58.200 -0.015 0.000 1.115 241 S CB -1.727 61.461 63.200 -0.020 0.000 0.893 241 S HN 0.805 nan 8.310 nan 0.000 0.475 242 G N 0.246 109.039 108.800 -0.011 0.000 2.552 242 G HA2 0.752 4.712 3.960 -0.000 0.000 0.318 242 G HA3 0.752 4.712 3.960 -0.000 0.000 0.318 242 G C -0.474 174.418 174.900 -0.013 0.000 1.240 242 G CA 0.109 45.205 45.100 -0.007 0.000 1.002 242 G HN 1.276 nan 8.290 nan 0.000 0.493 243 S N -1.248 114.441 115.700 -0.017 0.000 2.607 243 S HA 0.742 5.211 4.470 -0.000 0.000 0.273 243 S C -1.058 173.505 174.600 -0.062 0.000 1.148 243 S CA -0.702 57.477 58.200 -0.034 0.000 0.833 243 S CB 1.690 64.874 63.200 -0.026 0.000 1.130 243 S HN 0.764 nan 8.310 nan 0.000 0.470 244 M N 2.968 122.513 119.600 -0.092 0.000 2.378 244 M HA 0.530 5.010 4.480 -0.000 0.000 0.289 244 M C -2.163 174.026 176.300 -0.185 0.000 1.136 244 M CA -0.464 54.758 55.300 -0.130 0.000 0.917 244 M CB 1.905 34.444 32.600 -0.101 0.000 1.669 244 M HN 0.738 nan 8.290 nan 0.000 0.461 245 N N 4.484 123.049 118.700 -0.225 0.000 2.354 245 N HA 0.630 5.370 4.740 -0.000 0.000 0.287 245 N C -1.562 173.720 175.510 -0.381 0.000 1.016 245 N CA -0.224 52.629 53.050 -0.327 0.000 0.871 245 N CB 1.980 40.338 38.487 -0.215 0.000 1.299 245 N HN 0.597 nan 8.380 nan 0.000 0.482 246 I N 2.536 122.796 120.570 -0.516 0.000 2.406 246 I HA 0.323 4.492 4.170 -0.000 0.000 0.290 246 I C -0.933 175.043 176.117 -0.236 0.000 0.999 246 I CA -0.811 60.335 61.300 -0.256 0.000 1.124 246 I CB 0.967 38.864 38.000 -0.173 0.000 1.289 246 I HN 0.359 nan 8.210 nan 0.000 0.441 247 Y N 6.283 126.747 120.300 0.274 0.000 2.356 247 Y HA 0.488 5.037 4.550 -0.000 0.000 0.334 247 Y C -0.218 175.856 175.900 0.291 0.000 0.958 247 Y CA -0.798 57.470 58.100 0.280 0.000 1.196 247 Y CB 0.970 39.573 38.460 0.238 0.000 1.137 247 Y HN 0.305 nan 8.280 nan 0.000 0.485 248 L N 5.133 126.588 121.223 0.387 0.000 2.261 248 L HA 0.522 4.862 4.340 -0.000 0.000 0.289 248 L C -0.689 176.343 176.870 0.271 0.000 1.059 248 L CA -0.812 54.196 54.840 0.280 0.000 0.816 248 L CB 0.521 42.675 42.059 0.159 0.000 1.191 248 L HN 0.357 nan 8.230 nan 0.000 0.431 249 V N 5.111 125.190 119.914 0.275 0.000 2.407 249 V HA 0.366 4.486 4.120 -0.000 0.000 0.291 249 V C -0.411 175.865 176.094 0.302 0.000 1.018 249 V CA -0.477 62.008 62.300 0.308 0.000 0.842 249 V CB 2.087 34.090 31.823 0.299 0.000 0.996 249 V HN 0.440 nan 8.190 nan 0.000 0.426 250 L N 4.260 125.656 121.223 0.289 0.000 2.319 250 L HA 0.599 4.939 4.340 -0.000 0.000 0.281 250 L C -0.133 176.796 176.870 0.099 0.000 1.005 250 L CA -0.112 54.826 54.840 0.163 0.000 0.828 250 L CB 1.453 43.511 42.059 -0.002 0.000 1.227 250 L HN 0.646 nan 8.230 nan 0.000 0.415 251 D N 3.457 123.812 120.400 -0.075 0.000 2.412 251 D HA 0.184 4.824 4.640 -0.000 0.000 0.257 251 D C 0.689 176.918 176.300 -0.118 0.000 1.217 251 D CA 0.591 54.269 54.000 -0.536 0.000 0.897 251 D CB 1.358 42.005 40.800 -0.255 0.000 1.132 251 D HN 0.788 nan 8.370 nan 0.000 0.493 252 G N 2.336 110.973 108.800 -0.273 0.000 3.774 252 G HA2 0.115 4.074 3.960 -0.000 0.000 0.287 252 G HA3 0.115 4.074 3.960 -0.000 0.000 0.287 252 G C 0.551 175.345 174.900 -0.176 0.000 1.030 252 G CA -0.006 45.053 45.100 -0.069 0.000 0.824 252 G HN 0.501 nan 8.290 nan 0.000 0.518 253 S N -0.915 114.678 115.700 -0.177 0.000 2.606 253 S HA 0.424 4.893 4.470 -0.000 0.000 0.257 253 S C 1.837 176.451 174.600 0.022 0.000 1.327 253 S CA 0.349 58.484 58.200 -0.108 0.000 0.984 253 S CB 1.303 64.450 63.200 -0.089 0.000 0.941 253 S HN 0.295 nan 8.310 nan 0.000 0.576 254 G N 0.698 109.498 108.800 -0.001 0.000 2.450 254 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.220 254 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.220 254 G C 1.616 176.575 174.900 0.099 0.000 1.130 254 G CA 0.975 46.107 45.100 0.054 0.000 0.760 254 G HN 1.047 nan 8.290 nan 0.000 0.557 255 S N 0.561 116.297 115.700 0.061 0.000 2.419 255 S HA -0.049 4.421 4.470 -0.000 0.000 0.233 255 S C 2.208 176.843 174.600 0.060 0.000 1.016 255 S CA 0.888 59.119 58.200 0.052 0.000 0.974 255 S CB -0.173 63.049 63.200 0.036 0.000 0.786 255 S HN 0.158 nan 8.310 nan 0.000 0.492 256 I N 2.231 122.848 120.570 0.078 0.000 2.202 256 I HA 0.161 4.330 4.170 -0.000 0.000 0.242 256 I C 1.696 177.791 176.117 -0.035 0.000 1.091 256 I CA 1.448 62.773 61.300 0.042 0.000 1.368 256 I CB -2.383 35.665 38.000 0.080 0.000 1.058 256 I HN 0.618 nan 8.210 nan 0.000 0.410 257 G N -0.372 108.382 108.800 -0.077 0.000 2.692 257 G HA2 0.019 3.978 3.960 -0.000 0.000 0.686 257 G HA3 0.019 3.978 3.960 -0.000 0.000 0.686 257 G C 0.679 175.170 174.900 -0.683 0.000 1.243 257 G CA -0.041 44.933 45.100 -0.210 0.000 0.782 257 G HN 0.477 nan 8.290 nan 0.000 0.625 258 A N 0.902 123.360 122.820 -0.603 0.000 1.902 258 A HA 0.170 4.490 4.320 -0.000 0.000 0.217 258 A C 2.820 180.248 177.584 -0.259 0.000 1.181 258 A CA 2.960 54.639 52.037 -0.597 0.000 0.623 258 A CB -0.735 18.191 19.000 -0.124 0.000 0.818 258 A HN 1.989 nan 8.150 nan 0.000 0.443 259 S N -0.354 115.252 115.700 -0.157 0.000 2.356 259 S HA -0.181 4.288 4.470 -0.000 0.000 0.223 259 S C 1.682 176.226 174.600 -0.094 0.000 1.032 259 S CA 1.753 59.899 58.200 -0.091 0.000 1.005 259 S CB -0.468 62.695 63.200 -0.062 0.000 0.867 259 S HN 0.575 nan 8.310 nan 0.000 0.449 260 D N 0.078 120.417 120.400 -0.103 0.000 2.178 260 D HA -0.022 4.618 4.640 -0.000 0.000 0.202 260 D C 1.516 177.760 176.300 -0.092 0.000 0.974 260 D CA 0.626 54.574 54.000 -0.086 0.000 0.841 260 D CB -0.440 40.325 40.800 -0.059 0.000 0.953 260 D HN 0.467 nan 8.370 nan 0.000 0.478 261 F N 1.609 121.390 119.950 -0.283 0.000 2.102 261 F HA -0.243 4.284 4.527 -0.000 0.000 0.298 261 F C 2.523 178.207 175.800 -0.192 0.000 1.105 261 F CA 2.132 59.978 58.000 -0.257 0.000 1.239 261 F CB -0.556 38.194 39.000 -0.417 0.000 0.991 261 F HN 0.004 nan 8.300 nan 0.000 0.474 262 T N -2.106 112.405 114.554 -0.072 0.000 2.821 262 T HA -0.027 4.323 4.350 -0.000 0.000 0.267 262 T C 2.323 176.895 174.700 -0.213 0.000 1.046 262 T CA 1.115 63.134 62.100 -0.135 0.000 1.139 262 T CB -1.496 67.348 68.868 -0.039 0.000 0.871 262 T HN 0.306 nan 8.240 nan 0.000 0.454 263 G N 1.418 110.111 108.800 -0.178 0.000 2.440 263 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.218 263 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.218 263 G C 1.966 176.697 174.900 -0.281 0.000 1.154 263 G CA 1.050 46.034 45.100 -0.194 0.000 0.767 263 G HN 0.786 nan 8.290 nan 0.000 0.552 264 A N 0.644 123.278 122.820 -0.310 0.000 1.902 264 A HA -0.015 4.305 4.320 -0.000 0.000 0.217 264 A C 2.290 179.587 177.584 -0.478 0.000 1.181 264 A CA 2.034 53.842 52.037 -0.382 0.000 0.623 264 A CB -0.383 18.415 19.000 -0.338 0.000 0.818 264 A HN 0.391 nan 8.150 nan 0.000 0.443 265 K N -0.091 120.000 120.400 -0.515 0.000 2.001 265 K HA -0.205 4.115 4.320 -0.000 0.000 0.214 265 K C 2.130 178.482 176.600 -0.414 0.000 1.050 265 K CA 1.997 57.996 56.287 -0.480 0.000 0.934 265 K CB -0.247 31.982 32.500 -0.452 0.000 0.718 265 K HN 0.448 nan 8.250 nan 0.000 0.443 266 K N 0.442 120.626 120.400 -0.360 0.000 2.044 266 K HA -0.196 4.123 4.320 -0.000 0.000 0.210 266 K C 2.364 178.686 176.600 -0.463 0.000 1.049 266 K CA 1.809 57.892 56.287 -0.339 0.000 0.927 266 K CB -0.432 31.905 32.500 -0.273 0.000 0.713 266 K HN 0.232 nan 8.250 nan 0.000 0.443 267 C N 1.144 120.092 119.300 -0.587 0.000 2.376 267 C HA -0.166 4.294 4.460 -0.000 0.000 0.275 267 C C 2.599 176.955 174.990 -1.057 0.000 1.200 267 C CA 0.830 59.261 59.018 -0.979 0.000 1.756 267 C CB -1.033 26.014 27.740 -1.156 0.000 2.050 267 C HN 0.422 nan 8.230 nan 0.000 0.460 268 L N 0.084 120.851 121.223 -0.760 0.000 2.083 268 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 268 L C 2.588 179.210 176.870 -0.414 0.000 1.083 268 L CA 1.046 55.548 54.840 -0.563 0.000 0.752 268 L CB -0.766 41.042 42.059 -0.419 0.000 0.899 268 L HN 0.227 nan 8.230 nan 0.000 0.433 269 V N 0.279 119.968 119.914 -0.376 0.000 2.287 269 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 269 V C 2.224 178.186 176.094 -0.220 0.000 1.053 269 V CA 1.924 64.059 62.300 -0.276 0.000 1.027 269 V CB -0.605 31.076 31.823 -0.238 0.000 0.646 269 V HN 0.508 nan 8.190 nan 0.000 0.447 270 N N -0.224 118.326 118.700 -0.249 0.000 2.244 270 N HA -0.094 4.646 4.740 -0.000 0.000 0.183 270 N C 1.613 177.098 175.510 -0.041 0.000 1.016 270 N CA 1.015 53.985 53.050 -0.132 0.000 0.866 270 N CB -0.349 38.053 38.487 -0.141 0.000 0.980 270 N HN 0.411 nan 8.380 nan 0.000 0.430 271 L N 1.199 122.359 121.223 -0.105 0.000 2.093 271 L HA 0.010 4.350 4.340 -0.000 0.000 0.208 271 L C 1.836 178.754 176.870 0.080 0.000 1.085 271 L CA 1.197 56.081 54.840 0.072 0.000 0.755 271 L CB -0.390 41.654 42.059 -0.024 0.000 0.904 271 L HN 0.032 nan 8.230 nan 0.000 0.435 272 I N -0.431 120.119 120.570 -0.034 0.000 2.226 272 I HA -0.257 3.912 4.170 -0.000 0.000 0.245 272 I C 2.436 178.576 176.117 0.037 0.000 1.100 272 I CA 1.346 62.632 61.300 -0.024 0.000 1.374 272 I CB -1.010 36.871 38.000 -0.198 0.000 1.057 272 I HN 0.427 nan 8.210 nan 0.000 0.413 273 E N 0.798 120.998 120.200 0.000 0.000 2.051 273 E HA -0.269 4.081 4.350 -0.000 0.000 0.192 273 E C 2.144 178.753 176.600 0.014 0.000 0.991 273 E CA 1.281 57.684 56.400 0.005 0.000 0.799 273 E CB -0.029 29.667 29.700 -0.007 0.000 0.748 273 E HN 0.163 nan 8.360 nan 0.000 0.449 274 K N 0.920 121.345 120.400 0.041 0.000 2.009 274 K HA -0.147 4.173 4.320 -0.000 0.000 0.210 274 K C 1.992 178.607 176.600 0.024 0.000 1.049 274 K CA 1.150 57.449 56.287 0.021 0.000 0.929 274 K CB -0.775 31.797 32.500 0.120 0.000 0.714 274 K HN -0.032 nan 8.250 nan 0.000 0.440 275 V N 0.988 121.007 119.914 0.176 0.000 2.380 275 V HA -0.287 3.833 4.120 -0.000 0.000 0.251 275 V C 2.341 178.549 176.094 0.189 0.000 1.063 275 V CA 2.107 64.569 62.300 0.270 0.000 1.055 275 V CB -0.986 31.023 31.823 0.311 0.000 0.657 275 V HN 0.478 nan 8.190 nan 0.000 0.455 276 A N 0.588 123.478 122.820 0.117 0.000 2.015 276 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 276 A C 2.508 180.100 177.584 0.013 0.000 1.163 276 A CA 1.905 53.991 52.037 0.082 0.000 0.646 276 A CB -0.675 18.366 19.000 0.068 0.000 0.806 276 A HN 0.713 nan 8.150 nan 0.000 0.448 277 S N -1.431 114.214 115.700 -0.092 0.000 2.442 277 S HA -0.174 4.296 4.470 -0.000 0.000 0.236 277 S C 1.524 176.008 174.600 -0.193 0.000 1.007 277 S CA 1.268 59.352 58.200 -0.194 0.000 0.965 277 S CB -0.728 62.269 63.200 -0.339 0.000 0.773 277 S HN 0.548 nan 8.310 nan 0.000 0.504 278 Y N 1.993 122.304 120.300 0.017 0.000 2.529 278 Y HA 0.360 4.910 4.550 -0.000 0.000 0.290 278 Y C 2.134 178.038 175.900 0.006 0.000 1.177 278 Y CA -0.516 57.588 58.100 0.006 0.000 1.305 278 Y CB -0.610 37.852 38.460 0.004 0.000 1.047 278 Y HN 0.435 nan 8.280 nan 0.000 0.522 279 G N 0.100 108.975 108.800 0.125 0.000 2.184 279 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.264 279 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.264 279 G C 0.329 175.274 174.900 0.074 0.000 0.975 279 G CA 0.313 45.461 45.100 0.081 0.000 0.642 279 G HN 0.427 nan 8.290 nan 0.000 0.536 280 V N -2.812 117.157 119.914 0.092 0.000 2.904 280 V HA 0.816 4.936 4.120 -0.000 0.000 0.305 280 V C 0.266 176.390 176.094 0.050 0.000 1.067 280 V CA -1.074 61.259 62.300 0.055 0.000 1.044 280 V CB 1.745 33.592 31.823 0.040 0.000 1.050 280 V HN 0.052 nan 8.190 nan 0.000 0.475 281 K N 2.990 123.403 120.400 0.023 0.000 2.602 281 K HA 0.465 4.785 4.320 -0.000 0.000 0.201 281 K C -2.676 173.907 176.600 -0.028 0.000 1.070 281 K CA -1.642 54.659 56.287 0.023 0.000 1.026 281 K CB 0.557 33.074 32.500 0.028 0.000 1.534 281 K HN 0.619 nan 8.250 nan 0.000 0.560 282 P HA 0.138 nan 4.420 nan 0.000 0.269 282 P C -0.209 176.940 177.300 -0.252 0.000 1.209 282 P CA -0.200 62.759 63.100 -0.236 0.000 0.776 282 P CB 0.723 32.157 31.700 -0.442 0.000 0.876 283 R N 1.865 122.233 120.500 -0.221 0.000 2.308 283 R HA 0.334 4.673 4.340 -0.000 0.000 0.305 283 R C -0.404 175.746 176.300 -0.249 0.000 1.053 283 R CA -0.238 55.785 56.100 -0.128 0.000 0.957 283 R CB 0.273 30.544 30.300 -0.048 0.000 1.022 283 R HN 0.486 nan 8.270 nan 0.000 0.461 284 Y N -0.187 120.122 120.300 0.015 0.000 2.387 284 Y HA 0.434 4.984 4.550 -0.000 0.000 0.330 284 Y C 1.056 176.984 175.900 0.047 0.000 1.133 284 Y CA -0.304 57.800 58.100 0.006 0.000 1.152 284 Y CB 1.983 40.484 38.460 0.068 0.000 1.215 284 Y HN 0.649 nan 8.280 nan 0.000 0.466 285 G N 2.101 111.041 108.800 0.233 0.000 2.415 285 G HA2 0.557 4.516 3.960 -0.000 0.000 0.327 285 G HA3 0.557 4.516 3.960 -0.000 0.000 0.327 285 G C -2.186 172.920 174.900 0.344 0.000 1.182 285 G CA -0.539 44.755 45.100 0.323 0.000 0.924 285 G HN 0.447 nan 8.290 nan 0.000 0.470 286 L N 2.828 124.249 121.223 0.330 0.000 2.404 286 L HA 0.736 5.076 4.340 -0.000 0.000 0.272 286 L C -1.097 176.021 176.870 0.413 0.000 0.980 286 L CA -0.796 54.225 54.840 0.303 0.000 0.836 286 L CB 1.965 44.152 42.059 0.212 0.000 1.238 286 L HN 0.316 nan 8.230 nan 0.000 0.408 287 V N 3.298 123.452 119.914 0.401 0.000 2.638 287 V HA 0.719 4.839 4.120 -0.000 0.000 0.306 287 V C -0.154 176.237 176.094 0.494 0.000 1.052 287 V CA -0.270 62.308 62.300 0.462 0.000 0.885 287 V CB 2.311 34.346 31.823 0.353 0.000 0.999 287 V HN 0.851 nan 8.190 nan 0.000 0.424 288 T N 1.781 116.717 114.554 0.638 0.000 2.885 288 T HA 0.869 5.219 4.350 -0.000 0.000 0.285 288 T C -0.962 174.027 174.700 0.482 0.000 1.019 288 T CA -0.657 61.789 62.100 0.577 0.000 1.010 288 T CB 1.889 71.230 68.868 0.789 0.000 1.022 288 T HN 0.914 nan 8.240 nan 0.000 0.466 289 Y N -0.099 120.198 120.300 -0.005 0.000 2.571 289 Y HA 0.886 5.436 4.550 -0.000 0.000 0.341 289 Y C -0.291 175.365 175.900 -0.408 0.000 1.076 289 Y CA -1.102 56.906 58.100 -0.154 0.000 1.029 289 Y CB 1.094 39.580 38.460 0.043 0.000 1.308 289 Y HN 0.967 nan 8.280 nan 0.000 0.461 290 A N 1.273 123.969 122.820 -0.206 0.000 2.770 290 A HA 0.350 4.670 4.320 -0.000 0.000 0.183 290 A C 1.115 178.729 177.584 0.050 0.000 1.077 290 A CA 0.319 52.272 52.037 -0.141 0.000 1.468 290 A CB -0.322 18.575 19.000 -0.171 0.000 2.037 290 A HN 0.764 nan 8.150 nan 0.000 0.730 291 T N -0.011 114.523 114.554 -0.033 0.000 2.759 291 T HA 0.025 4.375 4.350 -0.000 0.000 0.269 291 T C -0.115 174.380 174.700 -0.342 0.000 1.042 291 T CA 1.829 63.792 62.100 -0.229 0.000 1.140 291 T CB -0.445 68.201 68.868 -0.371 0.000 0.864 291 T HN 0.362 nan 8.240 nan 0.000 0.455 292 Y N -0.158 120.237 120.300 0.158 0.000 2.576 292 Y HA 0.469 5.019 4.550 -0.000 0.000 0.346 292 Y C -2.613 173.425 175.900 0.230 0.000 1.018 292 Y CA -3.396 54.795 58.100 0.152 0.000 1.050 292 Y CB 1.193 39.720 38.460 0.112 0.000 1.280 292 Y HN -0.180 nan 8.280 nan 0.000 0.474 293 P HA 0.244 nan 4.420 nan 0.000 0.279 293 P C -1.154 176.321 177.300 0.292 0.000 1.239 293 P CA -0.696 62.605 63.100 0.336 0.000 0.789 293 P CB 1.068 32.895 31.700 0.211 0.000 0.933 294 K N 3.092 123.690 120.400 0.329 0.000 2.394 294 K HA 0.448 4.767 4.320 -0.000 0.000 0.260 294 K C -1.120 175.489 176.600 0.014 0.000 0.967 294 K CA -0.529 55.798 56.287 0.068 0.000 0.855 294 K CB -0.074 32.406 32.500 -0.034 0.000 1.101 294 K HN 0.174 nan 8.250 nan 0.000 0.433 295 I N 5.739 126.276 120.570 -0.054 0.000 2.322 295 I HA 0.203 4.373 4.170 -0.000 0.000 0.292 295 I C 0.038 176.134 176.117 -0.035 0.000 1.060 295 I CA -0.087 61.251 61.300 0.063 0.000 1.309 295 I CB 0.505 38.560 38.000 0.091 0.000 1.415 295 I HN 0.755 nan 8.210 nan 0.000 0.492 296 W N 4.724 126.108 121.300 0.140 0.000 2.539 296 W HA 0.254 4.914 4.660 -0.000 0.000 0.281 296 W C 0.151 176.751 176.519 0.135 0.000 1.220 296 W CA 0.276 57.685 57.345 0.107 0.000 1.332 296 W CB -0.007 29.493 29.460 0.067 0.000 1.095 296 W HN 0.120 nan 8.180 nan 0.000 0.571 297 V N 1.074 121.223 119.914 0.391 0.000 2.709 297 V HA 0.342 4.462 4.120 -0.000 0.000 0.308 297 V C -0.511 175.764 176.094 0.301 0.000 1.062 297 V CA -1.566 60.946 62.300 0.353 0.000 0.901 297 V CB 1.889 33.921 31.823 0.348 0.000 1.003 297 V HN -0.189 nan 8.190 nan 0.000 0.425 298 K N 2.059 122.617 120.400 0.263 0.000 2.207 298 K HA 0.501 4.820 4.320 -0.000 0.000 0.255 298 K C 0.935 177.660 176.600 0.208 0.000 0.941 298 K CA -0.787 55.636 56.287 0.226 0.000 0.825 298 K CB 2.263 34.869 32.500 0.177 0.000 1.119 298 K HN 0.492 nan 8.250 nan 0.000 0.430 299 V N -1.017 119.019 119.914 0.205 0.000 2.660 299 V HA -0.272 3.848 4.120 -0.000 0.000 0.257 299 V C 1.814 177.986 176.094 0.131 0.000 1.088 299 V CA 2.081 64.474 62.300 0.155 0.000 1.106 299 V CB -0.940 30.978 31.823 0.158 0.000 0.686 299 V HN 0.878 nan 8.190 nan 0.000 0.481 300 S N -0.584 115.197 115.700 0.134 0.000 2.527 300 S HA 0.056 4.526 4.470 -0.000 0.000 0.222 300 S C 0.719 175.365 174.600 0.076 0.000 0.985 300 S CA -0.072 58.189 58.200 0.102 0.000 0.921 300 S CB -0.605 62.654 63.200 0.100 0.000 0.772 300 S HN 0.797 nan 8.310 nan 0.000 0.529 301 E N 0.726 120.978 120.200 0.087 0.000 2.383 301 E HA 0.436 4.785 4.350 -0.000 0.000 0.264 301 E C 1.183 177.783 176.600 0.001 0.000 1.050 301 E CA 0.102 56.529 56.400 0.045 0.000 0.896 301 E CB 0.680 30.427 29.700 0.079 0.000 0.982 301 E HN 0.363 nan 8.360 nan 0.000 0.424 302 A N 3.292 126.076 122.820 -0.060 0.000 1.933 302 A HA -0.180 4.139 4.320 -0.000 0.000 0.218 302 A C 1.291 178.807 177.584 -0.113 0.000 1.175 302 A CA 1.399 53.389 52.037 -0.078 0.000 0.628 302 A CB -0.083 18.857 19.000 -0.100 0.000 0.814 302 A HN 0.595 nan 8.150 nan 0.000 0.444 303 D N -0.084 120.173 120.400 -0.240 0.000 2.349 303 D HA -0.032 4.608 4.640 -0.000 0.000 0.224 303 D C 1.956 178.247 176.300 -0.014 0.000 1.029 303 D CA 0.958 54.762 54.000 -0.327 0.000 0.879 303 D CB 0.032 40.152 40.800 -1.134 0.000 0.906 303 D HN 0.603 nan 8.370 nan 0.000 0.528 304 S N 0.468 116.218 115.700 0.084 0.000 2.474 304 S HA -0.120 4.350 4.470 -0.000 0.000 0.235 304 S C 1.787 176.531 174.600 0.241 0.000 0.997 304 S CA 0.884 59.221 58.200 0.229 0.000 0.949 304 S CB -0.200 63.111 63.200 0.186 0.000 0.766 304 S HN 0.127 nan 8.310 nan 0.000 0.517 305 S N 0.737 116.527 115.700 0.151 0.000 2.614 305 S HA 0.263 4.732 4.470 -0.000 0.000 0.230 305 S C 0.257 174.962 174.600 0.175 0.000 0.952 305 S CA -0.650 57.635 58.200 0.143 0.000 0.949 305 S CB -0.485 62.754 63.200 0.064 0.000 0.786 305 S HN 0.459 nan 8.310 nan 0.000 0.478 306 N N 1.718 120.547 118.700 0.213 0.000 2.699 306 N HA 0.469 5.209 4.740 -0.000 0.000 0.232 306 N C 1.039 176.695 175.510 0.243 0.000 1.027 306 N CA 0.200 53.371 53.050 0.203 0.000 0.920 306 N CB 1.148 39.737 38.487 0.171 0.000 1.148 306 N HN 0.244 nan 8.380 nan 0.000 0.509 307 A N 3.153 126.085 122.820 0.187 0.000 1.927 307 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 307 A C 1.565 179.186 177.584 0.062 0.000 1.185 307 A CA 1.720 53.826 52.037 0.115 0.000 0.639 307 A CB -0.206 18.855 19.000 0.102 0.000 0.820 307 A HN 0.596 nan 8.150 nan 0.000 0.451 308 D N -1.675 118.782 120.400 0.096 0.000 2.178 308 D HA -0.139 4.500 4.640 -0.000 0.000 0.202 308 D C 1.622 177.988 176.300 0.110 0.000 0.974 308 D CA 0.800 54.845 54.000 0.075 0.000 0.841 308 D CB -0.380 40.472 40.800 0.086 0.000 0.953 308 D HN 0.767 nan 8.370 nan 0.000 0.478 309 W N 1.466 122.769 121.300 0.005 0.000 2.380 309 W HA -0.203 4.457 4.660 -0.000 0.000 0.317 309 W C 1.741 178.258 176.519 -0.003 0.000 1.196 309 W CA 0.882 58.236 57.345 0.015 0.000 1.307 309 W CB -0.459 29.025 29.460 0.040 0.000 1.157 309 W HN -0.200 nan 8.180 nan 0.000 0.483 310 V N 1.687 121.630 119.914 0.048 0.000 2.282 310 V HA -0.381 3.739 4.120 -0.000 0.000 0.249 310 V C 2.359 178.297 176.094 -0.260 0.000 1.057 310 V CA 2.763 64.981 62.300 -0.137 0.000 1.032 310 V CB -1.578 30.159 31.823 -0.143 0.000 0.645 310 V HN 0.236 nan 8.190 nan 0.000 0.447 311 T N -0.653 113.777 114.554 -0.206 0.000 2.746 311 T HA -0.223 4.127 4.350 -0.000 0.000 0.267 311 T C 1.937 176.499 174.700 -0.231 0.000 1.039 311 T CA 1.641 63.614 62.100 -0.211 0.000 1.142 311 T CB -0.227 68.555 68.868 -0.143 0.000 0.866 311 T HN 0.491 nan 8.240 nan 0.000 0.444 312 K N 0.660 120.917 120.400 -0.239 0.000 2.032 312 K HA -0.125 4.195 4.320 -0.000 0.000 0.209 312 K C 2.704 179.095 176.600 -0.347 0.000 1.048 312 K CA 1.145 57.271 56.287 -0.268 0.000 0.927 312 K CB -0.095 32.242 32.500 -0.271 0.000 0.712 312 K HN 0.251 nan 8.250 nan 0.000 0.441 313 Q N 0.660 120.174 119.800 -0.477 0.000 2.084 313 Q HA -0.163 4.176 4.340 -0.000 0.000 0.202 313 Q C 2.196 177.956 176.000 -0.400 0.000 0.978 313 Q CA 1.042 56.600 55.803 -0.407 0.000 0.844 313 Q CB -0.561 27.950 28.738 -0.379 0.000 0.898 313 Q HN 0.203 nan 8.270 nan 0.000 0.426 314 L N 1.944 122.940 121.223 -0.379 0.000 2.043 314 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 314 L C 1.490 178.134 176.870 -0.376 0.000 1.075 314 L CA 1.729 56.328 54.840 -0.402 0.000 0.752 314 L CB -0.888 40.970 42.059 -0.336 0.000 0.891 314 L HN 0.185 nan 8.230 nan 0.000 0.432 315 N N -0.478 118.046 118.700 -0.294 0.000 2.550 315 N HA -0.107 4.633 4.740 -0.000 0.000 0.186 315 N C 1.509 176.891 175.510 -0.213 0.000 1.110 315 N CA 0.457 53.371 53.050 -0.226 0.000 0.912 315 N CB 0.029 38.413 38.487 -0.171 0.000 0.968 315 N HN 0.473 nan 8.380 nan 0.000 0.448 316 E N 0.550 120.581 120.200 -0.281 0.000 2.122 316 E HA 0.020 4.369 4.350 -0.000 0.000 0.190 316 E C 0.670 177.089 176.600 -0.302 0.000 0.977 316 E CA 0.056 56.319 56.400 -0.227 0.000 0.820 316 E CB 0.134 29.737 29.700 -0.161 0.000 0.770 316 E HN 0.199 nan 8.360 nan 0.000 0.462 317 I N 3.074 123.273 120.570 -0.618 0.000 2.906 317 I HA -0.126 4.044 4.170 -0.000 0.000 0.302 317 I C 0.650 176.747 176.117 -0.034 0.000 1.220 317 I CA 0.393 61.345 61.300 -0.580 0.000 1.441 317 I CB -0.868 36.813 38.000 -0.531 0.000 1.336 317 I HN -0.065 nan 8.210 nan 0.000 0.565 318 N N 4.900 123.680 118.700 0.134 0.000 2.321 318 N HA 0.086 4.826 4.740 -0.000 0.000 0.299 318 N C 0.410 176.006 175.510 0.144 0.000 1.048 318 N CA -0.525 52.627 53.050 0.170 0.000 0.836 318 N CB 1.153 39.705 38.487 0.108 0.000 1.269 318 N HN 0.472 nan 8.380 nan 0.000 0.486 319 Y N 2.990 123.232 120.300 -0.098 0.000 2.207 319 Y HA -0.094 4.456 4.550 -0.000 0.000 0.287 319 Y C 1.479 177.234 175.900 -0.242 0.000 1.156 319 Y CA 1.770 59.562 58.100 -0.513 0.000 1.182 319 Y CB 0.254 38.445 38.460 -0.448 0.000 0.979 319 Y HN 0.602 nan 8.280 nan 0.000 0.521 320 E N -0.075 120.042 120.200 -0.139 0.000 2.331 320 E HA -0.205 4.145 4.350 -0.000 0.000 0.199 320 E C 1.503 177.999 176.600 -0.173 0.000 1.008 320 E CA 1.140 57.440 56.400 -0.167 0.000 0.843 320 E CB -0.331 29.334 29.700 -0.057 0.000 0.761 320 E HN 0.628 nan 8.360 nan 0.000 0.507 321 D N 0.260 120.572 120.400 -0.147 0.000 2.263 321 D HA -0.112 4.528 4.640 -0.000 0.000 0.208 321 D C 0.959 177.023 176.300 -0.394 0.000 0.971 321 D CA 0.936 54.821 54.000 -0.193 0.000 0.867 321 D CB 0.028 40.788 40.800 -0.066 0.000 0.929 321 D HN 0.415 nan 8.370 nan 0.000 0.492 322 H N -0.510 118.451 119.070 -0.182 0.000 2.512 322 H HA 0.145 4.701 4.556 -0.000 0.000 0.276 322 H C 1.533 176.707 175.328 -0.255 0.000 1.126 322 H CA -0.153 55.789 56.048 -0.177 0.000 1.060 322 H CB 0.855 30.507 29.762 -0.184 0.000 1.646 322 H HN 0.094 nan 8.280 nan 0.000 0.571 323 K N 0.870 121.150 120.400 -0.201 0.000 2.147 323 K HA -0.104 4.216 4.320 -0.000 0.000 0.205 323 K C 1.684 178.217 176.600 -0.111 0.000 1.049 323 K CA 0.691 56.853 56.287 -0.207 0.000 0.936 323 K CB 0.256 32.647 32.500 -0.182 0.000 0.722 323 K HN 0.077 nan 8.250 nan 0.000 0.446 324 L N 0.994 122.175 121.223 -0.070 0.000 2.127 324 L HA 0.017 4.357 4.340 -0.000 0.000 0.203 324 L C 0.139 176.998 176.870 -0.019 0.000 1.080 324 L CA 1.525 56.343 54.840 -0.037 0.000 0.768 324 L CB 0.219 42.265 42.059 -0.021 0.000 0.924 324 L HN -0.083 nan 8.230 nan 0.000 0.444 325 K N -0.518 119.884 120.400 0.003 0.000 2.499 325 K HA 0.276 4.595 4.320 -0.000 0.000 0.215 325 K C 0.275 176.874 176.600 -0.002 0.000 1.041 325 K CA 0.289 56.580 56.287 0.008 0.000 1.031 325 K CB 0.690 33.230 32.500 0.067 0.000 1.479 325 K HN 0.118 nan 8.250 nan 0.000 0.518 326 S N -0.685 114.992 115.700 -0.038 0.000 2.574 326 S HA 0.148 4.618 4.470 -0.000 0.000 0.242 326 S C 0.870 175.438 174.600 -0.054 0.000 0.982 326 S CA -0.687 57.478 58.200 -0.058 0.000 0.977 326 S CB 0.559 63.708 63.200 -0.085 0.000 0.814 326 S HN 0.464 nan 8.310 nan 0.000 0.464 327 G N 0.946 109.714 108.800 -0.053 0.000 2.570 327 G HA2 0.449 4.409 3.960 -0.000 0.000 0.276 327 G HA3 0.449 4.409 3.960 -0.000 0.000 0.276 327 G C -0.561 174.336 174.900 -0.006 0.000 1.346 327 G CA -0.388 44.690 45.100 -0.037 0.000 1.034 327 G HN 0.333 nan 8.290 nan 0.000 0.512 328 T N 0.969 115.549 114.554 0.044 0.000 3.226 328 T HA 0.200 4.550 4.350 -0.000 0.000 0.378 328 T C -0.060 174.765 174.700 0.210 0.000 1.380 328 T CA -0.547 61.638 62.100 0.141 0.000 1.396 328 T CB 0.227 69.174 68.868 0.131 0.000 1.044 328 T HN 0.414 nan 8.240 nan 0.000 0.586 329 N N 1.858 120.684 118.700 0.209 0.000 3.083 329 N HA 0.120 4.860 4.740 -0.000 0.000 0.260 329 N C 1.125 176.641 175.510 0.011 0.000 1.163 329 N CA -0.111 53.002 53.050 0.105 0.000 1.060 329 N CB 0.746 39.248 38.487 0.026 0.000 1.345 329 N HN 0.319 nan 8.380 nan 0.000 0.515 330 T N 1.005 115.569 114.554 0.017 0.000 2.788 330 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 330 T C 1.766 176.284 174.700 -0.303 0.000 1.044 330 T CA 0.959 62.901 62.100 -0.265 0.000 1.139 330 T CB 0.240 69.103 68.868 -0.008 0.000 0.867 330 T HN 0.476 nan 8.240 nan 0.000 0.454 331 K N 1.196 121.480 120.400 -0.193 0.000 2.044 331 K HA -0.176 4.144 4.320 -0.000 0.000 0.210 331 K C 2.366 178.874 176.600 -0.153 0.000 1.049 331 K CA 1.488 57.672 56.287 -0.171 0.000 0.927 331 K CB -0.124 32.293 32.500 -0.138 0.000 0.713 331 K HN 0.195 nan 8.250 nan 0.000 0.443 332 K N -0.153 120.173 120.400 -0.124 0.000 2.057 332 K HA -0.105 4.214 4.320 -0.000 0.000 0.206 332 K C 2.041 178.581 176.600 -0.099 0.000 1.050 332 K CA 1.060 57.306 56.287 -0.069 0.000 0.935 332 K CB -0.133 32.373 32.500 0.010 0.000 0.715 332 K HN 0.245 nan 8.250 nan 0.000 0.439 333 A N 1.316 123.985 122.820 -0.253 0.000 1.892 333 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 333 A C 2.054 179.541 177.584 -0.163 0.000 1.188 333 A CA 1.435 53.292 52.037 -0.301 0.000 0.631 333 A CB -0.679 17.752 19.000 -0.948 0.000 0.822 333 A HN 0.283 nan 8.150 nan 0.000 0.447 334 L N -1.157 119.955 121.223 -0.186 0.000 2.141 334 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 334 L C 2.811 179.644 176.870 -0.062 0.000 1.094 334 L CA 1.225 56.001 54.840 -0.107 0.000 0.763 334 L CB -0.549 41.442 42.059 -0.114 0.000 0.908 334 L HN 0.512 nan 8.230 nan 0.000 0.437 335 Q N -0.249 119.508 119.800 -0.070 0.000 2.170 335 Q HA -0.175 4.165 4.340 -0.000 0.000 0.203 335 Q C 2.398 178.419 176.000 0.035 0.000 0.976 335 Q CA 1.438 57.220 55.803 -0.036 0.000 0.858 335 Q CB -0.145 28.552 28.738 -0.069 0.000 0.907 335 Q HN 0.556 nan 8.270 nan 0.000 0.433 336 A N 0.042 122.877 122.820 0.024 0.000 1.969 336 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 336 A C 2.234 179.852 177.584 0.057 0.000 1.169 336 A CA 1.056 53.129 52.037 0.060 0.000 0.635 336 A CB -0.400 18.649 19.000 0.082 0.000 0.810 336 A HN 0.208 nan 8.150 nan 0.000 0.445 337 V N -1.494 118.421 119.914 0.003 0.000 2.358 337 V HA -0.255 3.864 4.120 -0.000 0.000 0.246 337 V C 2.305 178.290 176.094 -0.180 0.000 1.047 337 V CA 1.943 64.158 62.300 -0.142 0.000 1.035 337 V CB -1.014 30.650 31.823 -0.264 0.000 0.658 337 V HN 0.729 nan 8.190 nan 0.000 0.452 338 Y N 1.408 121.586 120.300 -0.203 0.000 2.128 338 Y HA -0.277 4.273 4.550 -0.000 0.000 0.284 338 Y C 2.756 178.563 175.900 -0.155 0.000 1.154 338 Y CA 2.091 60.072 58.100 -0.199 0.000 1.149 338 Y CB -0.265 38.094 38.460 -0.168 0.000 0.976 338 Y HN 0.211 nan 8.280 nan 0.000 0.505 339 S N 0.414 116.166 115.700 0.087 0.000 2.400 339 S HA -0.245 4.224 4.470 -0.000 0.000 0.232 339 S C 1.923 176.507 174.600 -0.026 0.000 1.025 339 S CA 1.746 59.963 58.200 0.030 0.000 0.993 339 S CB -0.393 62.854 63.200 0.078 0.000 0.808 339 S HN 0.529 nan 8.310 nan 0.000 0.478 340 M N 0.221 119.833 119.600 0.020 0.000 2.374 340 M HA 0.038 4.518 4.480 -0.000 0.000 0.264 340 M C 1.837 178.199 176.300 0.104 0.000 1.067 340 M CA 1.178 56.546 55.300 0.114 0.000 1.103 340 M CB -0.288 32.471 32.600 0.266 0.000 1.402 340 M HN 0.334 nan 8.290 nan 0.000 0.444 341 M N -1.040 118.517 119.600 -0.071 0.000 2.501 341 M HA 0.033 4.513 4.480 -0.000 0.000 0.261 341 M C 1.071 177.240 176.300 -0.219 0.000 1.129 341 M CA 0.052 55.297 55.300 -0.093 0.000 1.126 341 M CB 0.036 32.428 32.600 -0.345 0.000 1.359 341 M HN 0.111 nan 8.290 nan 0.000 0.471 342 S N 0.260 115.691 115.700 -0.448 0.000 2.624 342 S HA 0.356 4.826 4.470 -0.000 0.000 0.263 342 S C -0.795 173.650 174.600 -0.259 0.000 1.287 342 S CA -0.750 57.040 58.200 -0.684 0.000 0.990 342 S CB 0.310 63.093 63.200 -0.696 0.000 0.950 342 S HN 0.418 nan 8.310 nan 0.000 0.561 343 W N -1.103 120.128 121.300 -0.115 0.000 3.033 343 W HA 0.757 5.417 4.660 -0.000 0.000 0.336 343 W C -2.918 173.562 176.519 -0.065 0.000 1.173 343 W CA -2.238 55.062 57.345 -0.076 0.000 1.185 343 W CB -1.446 27.957 29.460 -0.094 0.000 1.425 343 W HN 0.525 nan 8.180 nan 0.000 0.536 348 P HA 0.626 nan 4.420 nan 0.000 0.288 348 P C -2.814 174.080 177.300 -0.677 0.000 1.267 348 P CA -1.460 60.755 63.100 -1.476 0.000 0.815 348 P CB 0.055 30.431 31.700 -2.207 0.000 0.989 349 P HA 0.044 nan 4.420 nan 0.000 0.268 349 P C -0.221 177.082 177.300 0.006 0.000 1.208 349 P CA -0.055 62.967 63.100 -0.130 0.000 0.777 349 P CB 0.248 31.931 31.700 -0.027 0.000 0.875 350 E N 1.844 122.050 120.200 0.009 0.000 2.529 350 E HA 0.194 4.544 4.350 -0.000 0.000 0.259 350 E C 1.017 177.618 176.600 0.003 0.000 0.966 350 E CA 0.979 57.387 56.400 0.013 0.000 0.937 350 E CB -0.932 28.763 29.700 -0.009 0.000 0.923 350 E HN 0.747 nan 8.360 nan 0.000 0.468 351 G N 4.784 113.540 108.800 -0.073 0.000 2.176 351 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.252 351 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.252 351 G C 0.689 175.505 174.900 -0.139 0.000 1.024 351 G CA 0.519 45.528 45.100 -0.151 0.000 0.755 351 G HN 0.795 nan 8.290 nan 0.000 0.507 352 W N 1.179 122.390 121.300 -0.147 0.000 2.381 352 W HA -0.099 4.561 4.660 -0.000 0.000 0.301 352 W C 1.307 177.794 176.519 -0.053 0.000 1.205 352 W CA 1.263 58.535 57.345 -0.122 0.000 1.285 352 W CB -1.047 28.170 29.460 -0.405 0.000 1.133 352 W HN 0.492 nan 8.180 nan 0.000 0.521 353 N N 1.324 119.150 118.700 -1.457 0.000 2.501 353 N HA -0.109 4.631 4.740 -0.000 0.000 0.195 353 N C 1.456 176.492 175.510 -0.790 0.000 1.213 353 N CA 0.575 52.745 53.050 -1.465 0.000 0.864 353 N CB -0.727 36.521 38.487 -2.065 0.000 0.999 353 N HN 0.404 nan 8.380 nan 0.000 0.454 354 R N -0.752 119.489 120.500 -0.431 0.000 2.316 354 R HA 0.189 4.529 4.340 -0.000 0.000 0.201 354 R C -0.302 176.009 176.300 0.018 0.000 0.888 354 R CA 0.128 56.116 56.100 -0.186 0.000 1.041 354 R CB 0.390 30.600 30.300 -0.151 0.000 1.115 354 R HN 0.017 nan 8.270 nan 0.000 0.559 355 T N 1.118 115.675 114.554 0.006 0.000 2.897 355 T HA 0.196 4.546 4.350 -0.000 0.000 0.294 355 T C -0.458 174.262 174.700 0.035 0.000 1.004 355 T CA -0.243 61.851 62.100 -0.010 0.000 1.106 355 T CB 1.319 70.145 68.868 -0.070 0.000 0.949 355 T HN 0.140 nan 8.240 nan 0.000 0.520 356 R N 2.085 122.552 120.500 -0.055 0.000 2.393 356 R HA 0.284 4.623 4.340 -0.000 0.000 0.310 356 R C -0.885 175.336 176.300 -0.132 0.000 0.968 356 R CA -0.626 55.487 56.100 0.022 0.000 0.867 356 R CB 0.563 30.865 30.300 0.003 0.000 1.124 356 R HN 0.705 nan 8.270 nan 0.000 0.450 357 H N 3.411 122.631 119.070 0.251 0.000 2.481 357 H HA 0.328 4.884 4.556 -0.000 0.000 0.333 357 H C -0.880 174.637 175.328 0.315 0.000 1.066 357 H CA -0.683 55.561 56.048 0.327 0.000 1.209 357 H CB 2.086 32.084 29.762 0.395 0.000 1.445 357 H HN 0.234 nan 8.280 nan 0.000 0.488 358 V N 5.949 126.134 119.914 0.452 0.000 2.407 358 V HA 0.264 4.383 4.120 -0.000 0.000 0.291 358 V C 0.295 176.727 176.094 0.564 0.000 1.018 358 V CA -0.555 62.017 62.300 0.454 0.000 0.842 358 V CB 1.623 33.685 31.823 0.397 0.000 0.996 358 V HN 0.596 nan 8.190 nan 0.000 0.426 359 I N 5.767 126.647 120.570 0.517 0.000 2.321 359 I HA 0.400 4.569 4.170 -0.000 0.000 0.291 359 I C -0.520 175.917 176.117 0.533 0.000 0.998 359 I CA -0.408 61.184 61.300 0.487 0.000 1.227 359 I CB 1.396 39.576 38.000 0.301 0.000 1.368 359 I HN 0.358 nan 8.210 nan 0.000 0.466 360 I N 7.752 128.632 120.570 0.517 0.000 2.337 360 I HA 0.240 4.410 4.170 -0.000 0.000 0.285 360 I C -0.397 175.975 176.117 0.425 0.000 1.041 360 I CA -0.511 61.110 61.300 0.535 0.000 1.199 360 I CB 1.013 39.278 38.000 0.440 0.000 1.370 360 I HN 0.352 nan 8.210 nan 0.000 0.470 361 L N 8.008 129.492 121.223 0.434 0.000 2.282 361 L HA 0.544 4.884 4.340 -0.000 0.000 0.288 361 L C -0.493 176.599 176.870 0.370 0.000 1.033 361 L CA -0.037 55.013 54.840 0.350 0.000 0.807 361 L CB 1.193 43.419 42.059 0.279 0.000 1.209 361 L HN 0.435 nan 8.230 nan 0.000 0.423 362 M N 5.440 125.218 119.600 0.297 0.000 2.078 362 M HA 0.483 4.963 4.480 -0.000 0.000 0.320 362 M C -0.376 176.048 176.300 0.207 0.000 0.969 362 M CA -0.164 55.282 55.300 0.244 0.000 0.929 362 M CB 1.669 34.340 32.600 0.118 0.000 1.504 362 M HN 0.736 nan 8.290 nan 0.000 0.419 363 T N -0.262 114.416 114.554 0.206 0.000 2.802 363 T HA 0.255 4.605 4.350 -0.000 0.000 0.311 363 T C -0.624 174.165 174.700 0.149 0.000 1.405 363 T CA -0.635 61.572 62.100 0.178 0.000 1.016 363 T CB 1.252 70.276 68.868 0.260 0.000 1.352 363 T HN 0.773 nan 8.240 nan 0.000 0.498 364 D N 0.215 120.686 120.400 0.119 0.000 2.339 364 D HA 0.265 4.905 4.640 -0.000 0.000 0.217 364 D C 1.527 177.889 176.300 0.103 0.000 1.050 364 D CA 0.858 54.917 54.000 0.099 0.000 0.856 364 D CB -0.408 40.435 40.800 0.071 0.000 0.922 364 D HN 1.202 nan 8.370 nan 0.000 0.518 365 G N 0.427 109.311 108.800 0.140 0.000 2.168 365 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.263 365 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.263 365 G C 0.329 175.302 174.900 0.121 0.000 0.977 365 G CA 0.362 45.556 45.100 0.157 0.000 0.659 365 G HN 0.445 nan 8.290 nan 0.000 0.533 366 L N 3.134 124.404 121.223 0.078 0.000 2.865 366 L HA 0.259 4.598 4.340 -0.000 0.000 0.233 366 L C 1.442 178.303 176.870 -0.014 0.000 1.320 366 L CA -0.934 53.896 54.840 -0.017 0.000 1.225 366 L CB -0.453 41.606 42.059 -0.000 0.000 1.542 366 L HN 0.486 nan 8.230 nan 0.000 0.432 367 H N 0.295 119.409 119.070 0.072 0.000 2.871 367 H HA 0.068 4.624 4.556 -0.000 0.000 0.355 367 H C -0.158 175.196 175.328 0.044 0.000 1.092 367 H CA 0.076 56.169 56.048 0.075 0.000 1.420 367 H CB 0.773 30.577 29.762 0.070 0.000 1.400 367 H HN 0.471 nan 8.280 nan 0.000 0.604 368 N N 1.949 120.722 118.700 0.122 0.000 2.081 368 N HA 0.154 4.893 4.740 -0.000 0.000 0.230 368 N C -0.713 174.836 175.510 0.065 0.000 1.351 368 N CA -0.280 52.798 53.050 0.046 0.000 0.840 368 N CB 0.769 39.257 38.487 0.001 0.000 1.189 368 N HN 0.538 nan 8.380 nan 0.000 0.503 369 M N -0.856 118.802 119.600 0.096 0.000 2.484 369 M HA 0.559 5.039 4.480 -0.000 0.000 0.289 369 M C 0.221 176.551 176.300 0.049 0.000 1.206 369 M CA -0.356 54.973 55.300 0.048 0.000 0.892 369 M CB 2.738 35.340 32.600 0.003 0.000 1.712 369 M HN 0.117 nan 8.290 nan 0.000 0.462 370 G N 0.786 109.598 108.800 0.020 0.000 2.225 370 G HA2 0.029 3.989 3.960 -0.000 0.000 0.254 370 G HA3 0.029 3.989 3.960 -0.000 0.000 0.254 370 G C 0.487 175.376 174.900 -0.020 0.000 0.988 370 G CA 0.146 45.242 45.100 -0.007 0.000 0.625 370 G HN 1.731 nan 8.290 nan 0.000 0.527 371 G N -0.228 108.583 108.800 0.018 0.000 2.568 371 G HA2 0.193 4.153 3.960 -0.000 0.000 0.222 371 G HA3 0.193 4.153 3.960 -0.000 0.000 0.222 371 G C -0.516 174.327 174.900 -0.095 0.000 1.321 371 G CA 0.713 45.818 45.100 0.008 0.000 0.893 371 G HN 1.405 nan 8.290 nan 0.000 0.569 372 D N 1.388 121.728 120.400 -0.100 0.000 2.338 372 D HA 0.464 5.104 4.640 -0.000 0.000 0.255 372 D C -0.561 175.598 176.300 -0.234 0.000 1.237 372 D CA -1.714 52.171 54.000 -0.192 0.000 0.883 372 D CB 1.200 41.963 40.800 -0.062 0.000 1.087 372 D HN 0.041 nan 8.370 nan 0.000 0.485 373 P HA -0.056 nan 4.420 nan 0.000 0.222 373 P C 1.611 178.819 177.300 -0.152 0.000 1.147 373 P CA 0.656 63.613 63.100 -0.238 0.000 0.790 373 P CB 0.180 31.728 31.700 -0.253 0.000 0.780 374 I N -0.119 120.374 120.570 -0.127 0.000 2.315 374 I HA -0.261 3.909 4.170 -0.000 0.000 0.251 374 I C 2.240 178.309 176.117 -0.079 0.000 1.125 374 I CA 2.053 63.304 61.300 -0.082 0.000 1.392 374 I CB -1.394 36.573 38.000 -0.056 0.000 1.065 374 I HN 0.123 nan 8.210 nan 0.000 0.424 375 T N -1.573 112.926 114.554 -0.092 0.000 2.833 375 T HA -0.086 4.264 4.350 -0.000 0.000 0.269 375 T C 1.780 176.411 174.700 -0.115 0.000 1.054 375 T CA 1.097 63.142 62.100 -0.092 0.000 1.135 375 T CB -0.780 68.031 68.868 -0.095 0.000 0.869 375 T HN 0.190 nan 8.240 nan 0.000 0.466 376 V N 1.672 121.509 119.914 -0.128 0.000 2.427 376 V HA -0.073 4.047 4.120 -0.000 0.000 0.248 376 V C 2.726 178.767 176.094 -0.089 0.000 1.051 376 V CA 0.949 63.162 62.300 -0.145 0.000 1.048 376 V CB -0.665 31.073 31.823 -0.142 0.000 0.666 376 V HN 0.417 nan 8.190 nan 0.000 0.456 377 I N 0.655 121.185 120.570 -0.068 0.000 2.208 377 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 377 I C 2.280 178.379 176.117 -0.029 0.000 1.097 377 I CA 1.769 63.044 61.300 -0.041 0.000 1.363 377 I CB -1.292 36.682 38.000 -0.043 0.000 1.051 377 I HN 0.352 nan 8.210 nan 0.000 0.413 378 D N 0.648 121.023 120.400 -0.043 0.000 2.117 378 D HA -0.157 4.483 4.640 -0.000 0.000 0.198 378 D C 2.143 178.430 176.300 -0.022 0.000 0.982 378 D CA 0.951 54.931 54.000 -0.032 0.000 0.828 378 D CB -0.182 40.594 40.800 -0.041 0.000 0.967 378 D HN 0.444 nan 8.370 nan 0.000 0.464 379 E N 0.252 120.420 120.200 -0.052 0.000 2.077 379 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 379 E C 2.338 179.018 176.600 0.133 0.000 0.989 379 E CA 0.485 56.858 56.400 -0.045 0.000 0.800 379 E CB -0.065 29.466 29.700 -0.281 0.000 0.746 379 E HN 0.305 nan 8.360 nan 0.000 0.452 380 I N 0.726 121.382 120.570 0.145 0.000 2.226 380 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 380 I C 2.465 178.619 176.117 0.061 0.000 1.100 380 I CA 1.125 62.511 61.300 0.142 0.000 1.374 380 I CB -0.170 37.864 38.000 0.056 0.000 1.057 380 I HN 0.032 nan 8.210 nan 0.000 0.413 381 R N 0.485 121.013 120.500 0.047 0.000 2.096 381 R HA -0.164 4.176 4.340 -0.000 0.000 0.235 381 R C 1.882 178.222 176.300 0.066 0.000 1.127 381 R CA 1.485 57.613 56.100 0.047 0.000 0.968 381 R CB -0.335 29.975 30.300 0.017 0.000 0.861 381 R HN 0.346 nan 8.270 nan 0.000 0.440 382 D N 0.749 121.187 120.400 0.062 0.000 2.117 382 D HA -0.156 4.483 4.640 -0.000 0.000 0.197 382 D C 1.829 178.201 176.300 0.120 0.000 0.987 382 D CA 0.905 54.953 54.000 0.080 0.000 0.829 382 D CB -0.192 40.642 40.800 0.057 0.000 0.961 382 D HN 0.064 nan 8.370 nan 0.000 0.460 383 L N 0.414 121.686 121.223 0.082 0.000 2.017 383 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 383 L C 1.905 178.841 176.870 0.110 0.000 1.073 383 L CA 1.478 56.296 54.840 -0.037 0.000 0.745 383 L CB -0.352 41.542 42.059 -0.274 0.000 0.894 383 L HN -0.009 nan 8.230 nan 0.000 0.432 384 L N -1.531 119.800 121.223 0.181 0.000 2.599 384 L HA -0.026 4.314 4.340 -0.000 0.000 0.230 384 L C 0.352 177.521 176.870 0.498 0.000 1.141 384 L CA 0.020 55.085 54.840 0.375 0.000 0.877 384 L CB -0.450 41.758 42.059 0.248 0.000 1.009 384 L HN 0.355 nan 8.230 nan 0.000 0.447 385 Y N 0.722 121.161 120.300 0.232 0.000 3.305 385 Y HA -0.251 4.299 4.550 -0.000 0.000 0.209 385 Y C -0.049 175.945 175.900 0.157 0.000 1.354 385 Y CA -0.322 57.901 58.100 0.206 0.000 1.392 385 Y CB -1.717 36.930 38.460 0.311 0.000 1.446 385 Y HN 0.094 nan 8.280 nan 0.000 0.553 386 I N 0.765 121.364 120.570 0.047 0.000 2.359 386 I HA 0.467 4.637 4.170 -0.000 0.000 0.294 386 I C 1.332 177.404 176.117 -0.074 0.000 0.987 386 I CA 0.001 61.312 61.300 0.018 0.000 1.225 386 I CB 1.345 39.398 38.000 0.088 0.000 1.366 386 I HN 0.490 nan 8.210 nan 0.000 0.466 387 G N 4.818 113.567 108.800 -0.084 0.000 2.246 387 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.273 387 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.273 387 G C 0.492 175.306 174.900 -0.143 0.000 1.055 387 G CA 0.335 45.385 45.100 -0.083 0.000 0.851 387 G HN 0.790 nan 8.290 nan 0.000 0.500 388 K N -1.179 119.055 120.400 -0.276 0.000 2.403 388 K HA 0.133 4.453 4.320 -0.000 0.000 0.199 388 K C 0.134 176.601 176.600 -0.221 0.000 1.199 388 K CA 0.070 56.167 56.287 -0.317 0.000 0.924 388 K CB 0.667 32.793 32.500 -0.623 0.000 1.137 388 K HN 0.200 nan 8.250 nan 0.000 0.510 389 D N 1.351 121.619 120.400 -0.221 0.000 2.454 389 D HA 0.160 4.800 4.640 -0.000 0.000 0.225 389 D C 0.375 176.668 176.300 -0.011 0.000 1.081 389 D CA -0.216 53.761 54.000 -0.038 0.000 0.864 389 D CB 0.844 41.699 40.800 0.091 0.000 1.040 389 D HN -0.063 nan 8.370 nan 0.000 0.517 390 R N 2.489 122.986 120.500 -0.005 0.000 2.241 390 R HA -0.112 4.228 4.340 -0.000 0.000 0.224 390 R C 1.772 178.081 176.300 0.016 0.000 1.101 390 R CA 0.811 56.911 56.100 0.000 0.000 0.995 390 R CB 0.255 30.553 30.300 -0.003 0.000 0.870 390 R HN 0.340 nan 8.270 nan 0.000 0.463 391 K N 0.483 120.901 120.400 0.029 0.000 2.305 391 K HA -0.073 4.247 4.320 -0.000 0.000 0.199 391 K C 0.104 176.732 176.600 0.047 0.000 1.047 391 K CA 0.841 57.150 56.287 0.036 0.000 0.976 391 K CB 0.295 32.819 32.500 0.041 0.000 0.765 391 K HN -0.043 nan 8.250 nan 0.000 0.474 392 N N 0.215 118.949 118.700 0.058 0.000 2.751 392 N HA 0.212 4.951 4.740 -0.000 0.000 0.234 392 N C -2.584 172.969 175.510 0.071 0.000 1.403 392 N CA -1.609 51.487 53.050 0.076 0.000 0.747 392 N CB 1.615 40.161 38.487 0.099 0.000 1.326 392 N HN -0.151 nan 8.380 nan 0.000 0.532 393 P HA -0.026 nan 4.420 nan 0.000 0.220 393 P C -0.189 177.153 177.300 0.071 0.000 1.148 393 P CA 0.714 63.831 63.100 0.029 0.000 0.803 393 P CB 0.193 31.909 31.700 0.027 0.000 0.782 394 R N -1.783 118.804 120.500 0.146 0.000 3.875 394 R HA -0.192 4.148 4.340 -0.000 0.000 0.321 394 R C 0.836 177.304 176.300 0.280 0.000 1.196 394 R CA 0.497 56.773 56.100 0.292 0.000 0.868 394 R CB -1.897 28.549 30.300 0.243 0.000 1.333 394 R HN 0.327 nan 8.270 nan 0.000 0.522 395 E N 0.614 120.895 120.200 0.135 0.000 2.265 395 E HA -0.156 4.193 4.350 -0.000 0.000 0.196 395 E C 0.963 177.594 176.600 0.052 0.000 0.996 395 E CA 0.897 57.345 56.400 0.080 0.000 0.832 395 E CB -0.004 29.714 29.700 0.029 0.000 0.756 395 E HN 0.428 nan 8.360 nan 0.000 0.491 396 D N -0.123 120.273 120.400 -0.008 0.000 2.310 396 D HA -0.126 4.514 4.640 -0.000 0.000 0.212 396 D C 0.909 177.052 176.300 -0.262 0.000 0.965 396 D CA 0.700 54.594 54.000 -0.178 0.000 0.879 396 D CB -0.038 40.556 40.800 -0.345 0.000 0.921 396 D HN 0.353 nan 8.370 nan 0.000 0.510 397 Y N -0.113 120.237 120.300 0.084 0.000 2.466 397 Y HA 0.233 4.783 4.550 -0.000 0.000 0.272 397 Y C 0.447 176.465 175.900 0.197 0.000 1.169 397 Y CA -0.214 57.965 58.100 0.131 0.000 1.285 397 Y CB 0.480 39.033 38.460 0.154 0.000 1.078 397 Y HN -0.134 nan 8.280 nan 0.000 0.523 398 L N 0.345 121.703 121.223 0.226 0.000 2.505 398 L HA 0.509 4.849 4.340 -0.000 0.000 0.266 398 L C -1.802 175.120 176.870 0.086 0.000 0.954 398 L CA -0.546 54.414 54.840 0.199 0.000 0.852 398 L CB 1.764 43.921 42.059 0.163 0.000 1.282 398 L HN -0.168 nan 8.230 nan 0.000 0.403 399 D N 4.393 124.858 120.400 0.109 0.000 2.629 399 D HA 0.489 5.129 4.640 -0.000 0.000 0.250 399 D C -1.144 175.142 176.300 -0.023 0.000 1.126 399 D CA -0.125 53.861 54.000 -0.024 0.000 0.852 399 D CB 2.906 43.758 40.800 0.088 0.000 1.335 399 D HN 0.297 nan 8.370 nan 0.000 0.518 400 V N 3.508 123.315 119.914 -0.178 0.000 2.334 400 V HA 0.290 4.410 4.120 -0.000 0.000 0.281 400 V C -0.824 175.236 176.094 -0.058 0.000 1.016 400 V CA -0.681 61.602 62.300 -0.029 0.000 0.832 400 V CB 0.319 32.129 31.823 -0.023 0.000 0.999 400 V HN 0.369 nan 8.190 nan 0.000 0.439 401 Y N 3.194 123.716 120.300 0.370 0.000 2.342 401 Y HA 0.683 5.233 4.550 -0.000 0.000 0.334 401 Y C 0.101 176.150 175.900 0.248 0.000 1.067 401 Y CA -0.931 57.378 58.100 0.349 0.000 1.128 401 Y CB 1.965 40.787 38.460 0.602 0.000 1.200 401 Y HN 0.368 nan 8.280 nan 0.000 0.464 402 V N 4.523 124.551 119.914 0.191 0.000 2.444 402 V HA 0.398 4.517 4.120 -0.000 0.000 0.294 402 V C -0.940 175.189 176.094 0.058 0.000 1.022 402 V CA -1.173 61.234 62.300 0.179 0.000 0.850 402 V CB 1.077 32.964 31.823 0.106 0.000 0.992 402 V HN 0.516 nan 8.190 nan 0.000 0.426 403 F N 2.148 122.263 119.950 0.276 0.000 2.426 403 F HA 0.657 5.184 4.527 -0.000 0.000 0.348 403 F C 1.072 176.974 175.800 0.169 0.000 1.124 403 F CA -0.560 57.595 58.000 0.259 0.000 1.008 403 F CB 1.773 40.907 39.000 0.223 0.000 1.139 403 F HN 0.594 nan 8.300 nan 0.000 0.452 404 G N 2.982 111.955 108.800 0.288 0.000 2.354 404 G HA2 0.471 4.431 3.960 -0.000 0.000 0.266 404 G HA3 0.471 4.431 3.960 -0.000 0.000 0.266 404 G C -0.564 174.439 174.900 0.171 0.000 1.242 404 G CA -0.325 44.889 45.100 0.191 0.000 0.923 404 G HN 0.662 nan 8.290 nan 0.000 0.476 405 V N 0.737 120.730 119.914 0.132 0.000 3.074 405 V HA 1.040 5.160 4.120 -0.000 0.000 0.314 405 V C 0.568 176.699 176.094 0.062 0.000 1.117 405 V CA -0.185 62.165 62.300 0.082 0.000 1.014 405 V CB 1.227 33.083 31.823 0.056 0.000 1.057 405 V HN 2.342 nan 8.190 nan 0.000 0.438 406 G N 2.218 111.039 108.800 0.034 0.000 2.699 406 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.686 406 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.686 406 G C -2.153 172.763 174.900 0.028 0.000 1.301 406 G CA -0.089 45.028 45.100 0.028 0.000 0.816 406 G HN 0.811 nan 8.290 nan 0.000 0.595 407 P HA 0.193 nan 4.420 nan 0.000 0.220 407 P C 0.626 177.945 177.300 0.032 0.000 1.152 407 P CA 0.738 63.850 63.100 0.021 0.000 0.812 407 P CB 0.301 32.011 31.700 0.016 0.000 0.792 408 L N -0.082 121.163 121.223 0.037 0.000 2.372 408 L HA 0.350 4.690 4.340 -0.000 0.000 0.273 408 L C -1.010 175.887 176.870 0.045 0.000 0.989 408 L CA -0.799 54.066 54.840 0.042 0.000 0.841 408 L CB 1.739 43.820 42.059 0.037 0.000 1.225 408 L HN -0.375 nan 8.230 nan 0.000 0.414 409 V N 4.593 124.537 119.914 0.051 0.000 2.427 409 V HA 0.395 4.515 4.120 -0.000 0.000 0.286 409 V C 0.185 176.306 176.094 0.046 0.000 1.034 409 V CA -0.754 61.579 62.300 0.056 0.000 0.893 409 V CB 1.516 33.380 31.823 0.067 0.000 0.982 409 V HN 0.728 nan 8.190 nan 0.000 0.452 410 N N 4.355 123.082 118.700 0.045 0.000 2.439 410 N HA 0.128 4.867 4.740 -0.000 0.000 0.243 410 N C 0.973 176.505 175.510 0.038 0.000 1.088 410 N CA -0.196 52.874 53.050 0.034 0.000 0.940 410 N CB 1.321 39.823 38.487 0.024 0.000 1.180 410 N HN 0.636 nan 8.380 nan 0.000 0.505 411 Q N 2.205 122.019 119.800 0.024 0.000 2.050 411 Q HA -0.090 4.249 4.340 -0.000 0.000 0.202 411 Q C 1.693 177.700 176.000 0.011 0.000 0.980 411 Q CA 1.190 57.001 55.803 0.013 0.000 0.840 411 Q CB -0.066 28.668 28.738 -0.007 0.000 0.898 411 Q HN 0.510 nan 8.270 nan 0.000 0.424 412 V N 2.343 122.266 119.914 0.015 0.000 2.324 412 V HA -0.280 3.840 4.120 -0.000 0.000 0.250 412 V C 1.861 177.976 176.094 0.035 0.000 1.060 412 V CA 1.970 64.282 62.300 0.019 0.000 1.042 412 V CB -0.592 31.245 31.823 0.024 0.000 0.650 412 V HN 0.336 nan 8.190 nan 0.000 0.450 413 N N 0.328 119.061 118.700 0.056 0.000 2.135 413 N HA -0.051 4.688 4.740 -0.000 0.000 0.186 413 N C 1.823 177.382 175.510 0.081 0.000 1.027 413 N CA 1.818 54.926 53.050 0.096 0.000 0.849 413 N CB -0.437 38.137 38.487 0.145 0.000 1.002 413 N HN 0.688 nan 8.380 nan 0.000 0.425 414 I N -0.928 119.683 120.570 0.069 0.000 2.286 414 I HA -0.141 4.029 4.170 -0.000 0.000 0.248 414 I C 1.968 178.093 176.117 0.014 0.000 1.115 414 I CA 1.563 62.897 61.300 0.058 0.000 1.392 414 I CB -0.439 37.599 38.000 0.063 0.000 1.065 414 I HN -0.065 nan 8.210 nan 0.000 0.418 415 N N 1.966 120.663 118.700 -0.005 0.000 2.244 415 N HA -0.111 4.629 4.740 -0.000 0.000 0.183 415 N C 1.901 177.395 175.510 -0.027 0.000 1.016 415 N CA 1.628 54.657 53.050 -0.034 0.000 0.866 415 N CB -0.166 38.299 38.487 -0.037 0.000 0.980 415 N HN 0.489 nan 8.380 nan 0.000 0.430 416 A N 0.203 123.022 122.820 -0.003 0.000 1.972 416 A HA -0.022 4.298 4.320 -0.000 0.000 0.219 416 A C 2.123 179.696 177.584 -0.018 0.000 1.169 416 A CA 0.962 52.996 52.037 -0.005 0.000 0.635 416 A CB -0.567 18.441 19.000 0.015 0.000 0.810 416 A HN 0.384 nan 8.150 nan 0.000 0.446 417 L N -0.989 120.228 121.223 -0.010 0.000 2.307 417 L HA 0.148 4.488 4.340 -0.000 0.000 0.211 417 L C 1.558 178.408 176.870 -0.034 0.000 1.099 417 L CA 0.164 54.995 54.840 -0.015 0.000 0.816 417 L CB -0.535 41.532 42.059 0.014 0.000 0.952 417 L HN 0.349 nan 8.230 nan 0.000 0.455 418 A N 0.307 123.100 122.820 -0.045 0.000 2.462 418 A HA 0.278 4.597 4.320 -0.000 0.000 0.243 418 A C 0.619 178.102 177.584 -0.167 0.000 1.076 418 A CA -0.159 51.828 52.037 -0.084 0.000 0.773 418 A CB 0.166 19.115 19.000 -0.085 0.000 1.010 418 A HN 0.192 nan 8.150 nan 0.000 0.493 419 S N 1.620 117.122 115.700 -0.330 0.000 2.558 419 S HA 0.136 4.606 4.470 -0.000 0.000 0.287 419 S C 0.094 174.455 174.600 -0.399 0.000 1.321 419 S CA 0.140 58.036 58.200 -0.507 0.000 1.048 419 S CB 0.174 62.738 63.200 -1.060 0.000 0.844 419 S HN 0.527 nan 8.310 nan 0.000 0.512 420 K N 3.365 123.616 120.400 -0.248 0.000 2.473 420 K HA 0.364 4.684 4.320 -0.000 0.000 0.246 420 K C -0.761 175.790 176.600 -0.082 0.000 1.011 420 K CA -0.296 55.920 56.287 -0.119 0.000 0.984 420 K CB 1.126 33.587 32.500 -0.065 0.000 1.250 420 K HN 0.475 nan 8.250 nan 0.000 0.454 421 K N 1.176 121.562 120.400 -0.022 0.000 2.324 421 K HA 0.179 4.499 4.320 -0.000 0.000 0.253 421 K C -0.789 175.851 176.600 0.066 0.000 0.932 421 K CA -0.983 55.323 56.287 0.031 0.000 0.799 421 K CB 1.833 34.377 32.500 0.073 0.000 1.154 421 K HN 0.322 nan 8.250 nan 0.000 0.425 422 D N 1.864 122.301 120.400 0.061 0.000 2.531 422 D HA -0.091 4.548 4.640 -0.000 0.000 0.239 422 D C 0.395 176.731 176.300 0.059 0.000 1.144 422 D CA 1.298 55.338 54.000 0.066 0.000 0.869 422 D CB 0.182 41.031 40.800 0.081 0.000 1.160 422 D HN 0.632 nan 8.370 nan 0.000 0.484 423 N N 1.535 120.262 118.700 0.045 0.000 2.741 423 N HA -0.233 4.507 4.740 -0.000 0.000 0.251 423 N C -1.222 174.319 175.510 0.053 0.000 1.112 423 N CA 1.374 54.447 53.050 0.039 0.000 0.750 423 N CB -0.583 37.927 38.487 0.037 0.000 1.119 423 N HN 0.653 nan 8.380 nan 0.000 0.561 424 E N -0.336 119.907 120.200 0.072 0.000 2.336 424 E HA 0.410 4.760 4.350 -0.000 0.000 0.267 424 E C -0.764 175.886 176.600 0.083 0.000 0.906 424 E CA -0.758 55.693 56.400 0.085 0.000 0.781 424 E CB 1.608 31.390 29.700 0.135 0.000 1.261 424 E HN 0.101 nan 8.360 nan 0.000 0.436 425 Q N 0.757 120.589 119.800 0.053 0.000 2.331 425 Q HA 0.276 4.616 4.340 -0.000 0.000 0.267 425 Q C -0.665 175.243 176.000 -0.154 0.000 1.006 425 Q CA -0.281 55.517 55.803 -0.008 0.000 0.818 425 Q CB 1.315 30.108 28.738 0.092 0.000 1.276 425 Q HN 0.614 nan 8.270 nan 0.000 0.450 426 H N -0.042 118.845 119.070 -0.306 0.000 3.170 426 H HA 0.235 4.791 4.556 -0.000 0.000 0.264 426 H C -0.411 174.512 175.328 -0.676 0.000 1.113 426 H CA 0.131 56.006 56.048 -0.288 0.000 1.194 426 H CB 1.532 31.130 29.762 -0.273 0.000 1.553 426 H HN 0.208 nan 8.280 nan 0.000 0.538 427 V N 1.209 120.604 119.914 -0.865 0.000 2.540 427 V HA 0.483 4.603 4.120 -0.000 0.000 0.302 427 V C -1.705 173.793 176.094 -0.993 0.000 1.035 427 V CA -0.590 61.264 62.300 -0.743 0.000 0.873 427 V CB 0.828 32.466 31.823 -0.309 0.000 0.992 427 V HN 0.119 nan 8.190 nan 0.000 0.428 428 F N 5.124 124.971 119.950 -0.172 0.000 2.569 428 F HA 0.647 5.173 4.527 -0.000 0.000 0.312 428 F C -0.164 175.638 175.800 0.002 0.000 1.109 428 F CA -0.775 57.158 58.000 -0.111 0.000 0.919 428 F CB 2.069 40.948 39.000 -0.201 0.000 1.211 428 F HN 0.312 nan 8.300 nan 0.000 0.446 429 K N 3.408 123.938 120.400 0.217 0.000 2.578 429 K HA 0.645 4.964 4.320 -0.000 0.000 0.250 429 K C -1.248 175.474 176.600 0.204 0.000 0.955 429 K CA -0.520 55.878 56.287 0.184 0.000 0.825 429 K CB 1.857 34.429 32.500 0.119 0.000 1.151 429 K HN 0.644 nan 8.250 nan 0.000 0.432 430 V N 0.709 120.733 119.914 0.184 0.000 3.336 430 V HA 0.382 4.502 4.120 -0.000 0.000 0.314 430 V C 1.526 177.643 176.094 0.038 0.000 1.088 430 V CA -0.582 61.809 62.300 0.153 0.000 1.033 430 V CB 1.510 33.397 31.823 0.105 0.000 1.181 430 V HN 0.872 nan 8.190 nan 0.000 0.449 431 K N 0.418 120.717 120.400 -0.168 0.000 2.026 431 K HA -0.095 4.225 4.320 -0.000 0.000 0.208 431 K C 0.332 176.820 176.600 -0.187 0.000 1.048 431 K CA 2.182 58.200 56.287 -0.448 0.000 0.929 431 K CB -0.001 32.032 32.500 -0.778 0.000 0.713 431 K HN 1.111 nan 8.250 nan 0.000 0.439 432 D N -3.344 116.987 120.400 -0.115 0.000 2.779 432 D HA -0.012 4.628 4.640 -0.000 0.000 0.331 432 D C 0.376 176.653 176.300 -0.039 0.000 1.331 432 D CA -0.652 53.309 54.000 -0.064 0.000 0.866 432 D CB 0.088 40.844 40.800 -0.073 0.000 1.409 432 D HN -0.116 nan 8.370 nan 0.000 0.486 433 M N 0.093 119.672 119.600 -0.036 0.000 2.254 433 M HA 0.067 4.547 4.480 -0.000 0.000 0.265 433 M C 1.570 177.845 176.300 -0.041 0.000 1.066 433 M CA 1.744 57.021 55.300 -0.039 0.000 1.123 433 M CB -0.559 32.010 32.600 -0.053 0.000 1.388 433 M HN 0.581 nan 8.290 nan 0.000 0.425 434 E N -0.236 119.941 120.200 -0.038 0.000 2.118 434 E HA -0.226 4.123 4.350 -0.000 0.000 0.195 434 E C 1.559 178.147 176.600 -0.020 0.000 0.992 434 E CA 1.230 57.615 56.400 -0.025 0.000 0.804 434 E CB -0.098 29.584 29.700 -0.031 0.000 0.741 434 E HN 0.630 nan 8.360 nan 0.000 0.458 435 N N 0.602 119.282 118.700 -0.034 0.000 2.216 435 N HA -0.141 4.599 4.740 -0.000 0.000 0.183 435 N C 1.985 177.490 175.510 -0.009 0.000 1.017 435 N CA 0.478 53.511 53.050 -0.028 0.000 0.861 435 N CB -0.169 38.293 38.487 -0.043 0.000 0.986 435 N HN 0.151 nan 8.380 nan 0.000 0.428 436 L N 2.288 123.512 121.223 0.001 0.000 2.046 436 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 436 L C 1.968 178.862 176.870 0.040 0.000 1.077 436 L CA 1.693 56.551 54.840 0.031 0.000 0.747 436 L CB -0.550 41.532 42.059 0.038 0.000 0.896 436 L HN 0.100 nan 8.230 nan 0.000 0.432 437 E N -0.617 119.563 120.200 -0.033 0.000 2.085 437 E HA -0.247 4.103 4.350 -0.000 0.000 0.194 437 E C 1.801 178.331 176.600 -0.116 0.000 0.994 437 E CA 1.373 57.682 56.400 -0.151 0.000 0.801 437 E CB -0.177 29.414 29.700 -0.181 0.000 0.743 437 E HN 0.535 nan 8.360 nan 0.000 0.453 438 D N 0.198 120.627 120.400 0.050 0.000 2.190 438 D HA -0.149 4.491 4.640 -0.000 0.000 0.200 438 D C 1.982 178.297 176.300 0.024 0.000 0.992 438 D CA 0.677 54.750 54.000 0.121 0.000 0.854 438 D CB -0.274 40.546 40.800 0.034 0.000 0.936 438 D HN 0.025 nan 8.370 nan 0.000 0.462 439 V N 0.331 120.194 119.914 -0.085 0.000 2.255 439 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 439 V C 2.110 178.008 176.094 -0.326 0.000 1.051 439 V CA 1.547 63.685 62.300 -0.270 0.000 1.018 439 V CB -0.573 30.946 31.823 -0.507 0.000 0.641 439 V HN 0.124 nan 8.190 nan 0.000 0.445 440 F N -1.969 117.865 119.950 -0.194 0.000 2.367 440 F HA -0.020 4.506 4.527 -0.000 0.000 0.298 440 F C 2.214 177.951 175.800 -0.106 0.000 1.094 440 F CA 0.861 58.738 58.000 -0.205 0.000 1.409 440 F CB -0.625 38.168 39.000 -0.345 0.000 1.064 440 F HN 0.103 nan 8.300 nan 0.000 0.528 441 Y N 0.370 120.726 120.300 0.093 0.000 2.181 441 Y HA -0.242 4.308 4.550 -0.000 0.000 0.288 441 Y C 2.609 178.544 175.900 0.059 0.000 1.146 441 Y CA 1.323 59.451 58.100 0.047 0.000 1.164 441 Y CB -1.084 37.381 38.460 0.008 0.000 0.982 441 Y HN 0.141 nan 8.280 nan 0.000 0.515 442 Q N -0.422 119.508 119.800 0.217 0.000 2.119 442 Q HA -0.183 4.157 4.340 -0.000 0.000 0.201 442 Q C 2.165 178.354 176.000 0.316 0.000 0.972 442 Q CA 1.342 57.284 55.803 0.231 0.000 0.847 442 Q CB -0.115 28.718 28.738 0.157 0.000 0.903 442 Q HN 0.462 nan 8.270 nan 0.000 0.433 443 M N -0.089 119.658 119.600 0.245 0.000 2.108 443 M HA -0.217 4.262 4.480 -0.000 0.000 0.261 443 M C 2.074 178.436 176.300 0.102 0.000 1.066 443 M CA 1.435 56.860 55.300 0.208 0.000 1.107 443 M CB -0.233 32.449 32.600 0.136 0.000 1.356 443 M HN 0.279 nan 8.290 nan 0.000 0.406 444 I N 0.072 120.709 120.570 0.112 0.000 2.315 444 I HA -0.286 3.884 4.170 -0.000 0.000 0.248 444 I C 1.655 177.801 176.117 0.048 0.000 1.117 444 I CA 1.061 62.401 61.300 0.067 0.000 1.404 444 I CB -0.464 37.595 38.000 0.098 0.000 1.071 444 I HN 0.256 nan 8.210 nan 0.000 0.419 445 D N 0.415 120.872 120.400 0.094 0.000 2.219 445 D HA -0.186 4.454 4.640 -0.000 0.000 0.205 445 D C 2.033 178.360 176.300 0.044 0.000 0.970 445 D CA 0.715 54.763 54.000 0.079 0.000 0.851 445 D CB -0.199 40.674 40.800 0.122 0.000 0.943 445 D HN 0.341 nan 8.370 nan 0.000 0.488 446 E N 0.829 121.038 120.200 0.015 0.000 2.077 446 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 446 E C 1.761 178.254 176.600 -0.180 0.000 0.989 446 E CA 0.807 57.111 56.400 -0.160 0.000 0.800 446 E CB 0.206 29.609 29.700 -0.495 0.000 0.746 446 E HN 0.104 nan 8.360 nan 0.000 0.452 447 S N 1.146 116.757 115.700 -0.148 0.000 2.368 447 S HA -0.140 4.330 4.470 -0.000 0.000 0.225 447 S C 1.160 175.708 174.600 -0.086 0.000 1.030 447 S CA 0.729 58.843 58.200 -0.143 0.000 0.999 447 S CB -0.208 62.895 63.200 -0.161 0.000 0.844 447 S HN 0.326 nan 8.310 nan 0.000 0.459 448 Q N 1.674 121.442 119.800 -0.054 0.000 2.722 448 Q HA 0.209 4.549 4.340 -0.000 0.000 0.214 448 Q C 0.696 176.686 176.000 -0.016 0.000 1.109 448 Q CA -0.076 55.710 55.803 -0.028 0.000 1.066 448 Q CB 0.051 28.782 28.738 -0.012 0.000 1.290 448 Q HN 0.492 nan 8.270 nan 0.000 0.620 449 S N -0.535 115.164 115.700 -0.001 0.000 2.608 449 S HA 0.125 4.595 4.470 -0.000 0.000 0.261 449 S C 1.108 175.721 174.600 0.021 0.000 1.314 449 S CA -0.611 57.598 58.200 0.016 0.000 0.992 449 S CB 0.324 63.543 63.200 0.032 0.000 0.935 449 S HN 0.572 nan 8.310 nan 0.000 0.564 450 L N 1.147 122.396 121.223 0.043 0.000 2.291 450 L HA -0.035 4.305 4.340 -0.000 0.000 0.214 450 L C 2.778 179.614 176.870 -0.057 0.000 1.120 450 L CA 1.046 55.897 54.840 0.018 0.000 0.799 450 L CB -0.926 41.176 42.059 0.071 0.000 0.925 450 L HN 0.950 nan 8.230 nan 0.000 0.446 451 S N 0.167 115.903 115.700 0.059 0.000 2.507 451 S HA -0.107 4.363 4.470 -0.000 0.000 0.235 451 S C 0.907 175.483 174.600 -0.039 0.000 0.988 451 S CA -0.154 58.072 58.200 0.044 0.000 0.944 451 S CB -0.598 62.733 63.200 0.219 0.000 0.762 451 S HN 0.238 nan 8.310 nan 0.000 0.526 452 L N 3.829 125.036 121.223 -0.026 0.000 2.660 452 L HA 0.141 4.480 4.340 -0.000 0.000 0.272 452 L C 0.639 177.488 176.870 -0.035 0.000 1.194 452 L CA -0.474 54.355 54.840 -0.019 0.000 0.945 452 L CB -0.568 41.493 42.059 0.003 0.000 1.212 452 L HN 0.598 nan 8.230 nan 0.000 0.490 453 c N 3.648 122.227 118.600 -0.035 0.000 2.657 453 c HA 0.616 5.186 4.570 -0.000 0.000 0.404 453 c C 1.560 175.656 174.090 0.010 0.000 1.291 453 c CA -0.495 55.812 56.329 -0.036 0.000 2.218 453 c CB -0.250 42.227 42.510 -0.054 0.000 2.687 453 c HN 1.463 nan 8.230 nan 0.000 0.634 454 G N 3.179 111.998 108.800 0.032 0.000 2.395 454 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.300 454 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.300 454 G C -0.252 174.803 174.900 0.259 0.000 0.998 454 G CA 0.744 45.904 45.100 0.099 0.000 1.046 454 G HN 1.034 nan 8.290 nan 0.000 0.513 455 M N 0.218 119.963 119.600 0.242 0.000 2.253 455 M HA 0.573 5.053 4.480 -0.000 0.000 0.314 455 M C -0.692 175.781 176.300 0.289 0.000 1.019 455 M CA -0.565 54.898 55.300 0.272 0.000 0.932 455 M CB 2.101 34.798 32.600 0.162 0.000 1.606 455 M HN 0.021 nan 8.290 nan 0.000 0.430 456 V N 4.881 125.011 119.914 0.360 0.000 2.638 456 V HA 0.456 4.576 4.120 -0.000 0.000 0.306 456 V C -1.012 175.245 176.094 0.273 0.000 1.052 456 V CA -0.921 61.532 62.300 0.255 0.000 0.885 456 V CB 2.416 34.328 31.823 0.149 0.000 0.999 456 V HN 0.873 nan 8.190 nan 0.000 0.424 457 W N 4.647 125.963 121.300 0.026 0.000 2.349 457 W HA 0.446 5.106 4.660 -0.001 0.000 0.309 457 W C -0.240 176.206 176.519 -0.122 0.000 1.083 457 W CA -0.571 56.727 57.345 -0.079 0.000 1.224 457 W CB 1.551 30.896 29.460 -0.192 0.000 1.256 457 W HN 0.651 nan 8.180 nan 0.000 0.461 458 E N 5.943 125.804 120.200 -0.564 0.000 1.865 458 E HA 0.054 4.404 4.350 -0.000 0.000 0.269 458 E C 0.543 176.939 176.600 -0.340 0.000 1.177 458 E CA -0.027 56.177 56.400 -0.327 0.000 0.932 458 E CB 0.260 29.796 29.700 -0.273 0.000 1.066 458 E HN 0.385 nan 8.360 nan 0.000 0.405 464 D N -1.431 118.964 120.400 -0.008 0.000 2.690 464 D HA 0.303 4.943 4.640 -0.000 0.000 0.235 464 D C 1.150 177.354 176.300 -0.160 0.000 1.327 464 D CA 0.140 54.093 54.000 -0.079 0.000 1.264 464 D CB -0.005 40.754 40.800 -0.069 0.000 1.574 464 D HN 0.346 nan 8.370 nan 0.000 0.421 465 Y N 0.527 120.793 120.300 -0.056 0.000 2.516 465 Y HA -0.019 4.530 4.550 -0.000 0.000 0.291 465 Y C 2.003 177.853 175.900 -0.082 0.000 1.131 465 Y CA 0.979 59.014 58.100 -0.110 0.000 1.281 465 Y CB -0.014 38.406 38.460 -0.068 0.000 1.013 465 Y HN 0.162 nan 8.280 nan 0.000 0.554 466 H N 0.039 119.105 119.070 -0.006 0.000 2.387 466 H HA -0.112 4.443 4.556 -0.000 0.000 0.299 466 H C 1.744 177.013 175.328 -0.099 0.000 1.099 466 H CA 1.578 57.621 56.048 -0.009 0.000 1.315 466 H CB 0.100 29.888 29.762 0.044 0.000 1.380 466 H HN 0.220 nan 8.280 nan 0.000 0.513 467 K N -0.253 120.099 120.400 -0.080 0.000 2.361 467 K HA 0.039 4.359 4.320 -0.000 0.000 0.196 467 K C 0.032 176.280 176.600 -0.586 0.000 1.039 467 K CA 0.547 56.694 56.287 -0.233 0.000 1.001 467 K CB 0.597 32.990 32.500 -0.178 0.000 0.795 467 K HN 0.210 nan 8.250 nan 0.000 0.495 468 Q N -0.142 119.196 119.800 -0.770 0.000 3.048 468 Q HA 0.113 4.453 4.340 -0.000 0.000 0.337 468 Q C -2.269 173.006 176.000 -1.209 0.000 0.845 468 Q CA -1.183 53.712 55.803 -1.513 0.000 0.942 468 Q CB 1.387 29.419 28.738 -1.178 0.000 1.454 468 Q HN -0.032 nan 8.270 nan 0.000 0.392 469 P HA -0.112 nan 4.420 nan 0.000 0.237 469 P C 0.252 177.482 177.300 -0.117 0.000 1.178 469 P CA 0.529 63.474 63.100 -0.257 0.000 0.766 469 P CB -0.055 31.559 31.700 -0.144 0.000 0.876 470 W N -0.662 120.633 121.300 -0.008 0.000 2.905 470 W HA 0.315 4.975 4.660 -0.000 0.000 0.251 470 W C 0.592 177.155 176.519 0.073 0.000 1.305 470 W CA -0.391 56.963 57.345 0.015 0.000 1.465 470 W CB -1.461 27.987 29.460 -0.021 0.000 1.122 470 W HN -0.165 nan 8.180 nan 0.000 0.659 471 Q N 2.277 121.994 119.800 -0.140 0.000 2.313 471 Q HA 0.452 4.792 4.340 -0.000 0.000 0.266 471 Q C -0.511 175.628 176.000 0.231 0.000 0.989 471 Q CA 0.369 56.210 55.803 0.064 0.000 0.890 471 Q CB 0.991 29.618 28.738 -0.184 0.000 1.200 471 Q HN 0.254 nan 8.270 nan 0.000 0.396 472 A N 4.522 127.475 122.820 0.222 0.000 2.355 472 A HA 0.573 4.893 4.320 -0.000 0.000 0.317 472 A C -1.024 176.665 177.584 0.175 0.000 1.094 472 A CA -0.805 51.347 52.037 0.192 0.000 0.764 472 A CB 1.108 20.210 19.000 0.170 0.000 1.230 472 A HN 0.698 nan 8.150 nan 0.000 0.448 473 K N 2.036 122.529 120.400 0.156 0.000 2.211 473 K HA 0.565 4.885 4.320 -0.000 0.000 0.275 473 K C -1.164 175.502 176.600 0.111 0.000 1.024 473 K CA -0.106 56.259 56.287 0.130 0.000 0.887 473 K CB 1.364 33.939 32.500 0.126 0.000 1.084 473 K HN 0.643 nan 8.250 nan 0.000 0.463 474 I N 1.622 122.255 120.570 0.105 0.000 2.362 474 I HA 0.177 4.347 4.170 -0.000 0.000 0.289 474 I C -0.226 175.949 176.117 0.096 0.000 0.994 474 I CA -0.522 60.848 61.300 0.118 0.000 1.158 474 I CB 1.945 40.035 38.000 0.149 0.000 1.315 474 I HN 0.375 nan 8.210 nan 0.000 0.451 475 S N 5.099 120.862 115.700 0.106 0.000 2.478 475 S HA 0.619 5.088 4.470 -0.000 0.000 0.312 475 S C -0.391 174.281 174.600 0.121 0.000 1.094 475 S CA -0.563 57.692 58.200 0.093 0.000 1.081 475 S CB 1.790 65.035 63.200 0.075 0.000 1.007 475 S HN 0.309 nan 8.310 nan 0.000 0.475 476 V N 4.888 124.872 119.914 0.118 0.000 2.495 476 V HA 0.531 4.651 4.120 -0.000 0.000 0.298 476 V C -0.630 175.528 176.094 0.105 0.000 1.031 476 V CA -0.868 61.517 62.300 0.142 0.000 0.871 476 V CB 1.544 33.484 31.823 0.196 0.000 0.988 476 V HN 0.686 nan 8.190 nan 0.000 0.432 477 I N 5.019 125.648 120.570 0.099 0.000 2.336 477 I HA 0.601 4.771 4.170 -0.000 0.000 0.292 477 I C 0.177 176.342 176.117 0.080 0.000 0.991 477 I CA -0.425 60.923 61.300 0.079 0.000 1.227 477 I CB 1.281 39.321 38.000 0.067 0.000 1.366 477 I HN 0.652 nan 8.210 nan 0.000 0.466 478 R N 5.640 126.182 120.500 0.071 0.000 2.564 478 R HA 0.603 4.943 4.340 -0.000 0.000 0.284 478 R C -2.095 174.237 176.300 0.055 0.000 1.031 478 R CA -1.360 54.780 56.100 0.067 0.000 0.904 478 R CB 1.455 31.800 30.300 0.075 0.000 1.199 478 R HN 0.499 nan 8.270 nan 0.000 0.443 486 c N 4.043 122.647 118.600 0.006 0.000 2.913 486 c HA 0.840 5.409 4.570 -0.000 0.000 0.322 486 c C -0.198 173.917 174.090 0.042 0.000 1.292 486 c CA -0.782 55.541 56.329 -0.010 0.000 1.649 486 c CB 1.776 44.208 42.510 -0.131 0.000 2.139 486 c HN 0.928 nan 8.230 nan 0.000 0.475 487 M N 1.080 120.715 119.600 0.058 0.000 2.762 487 M HA 0.696 5.176 4.480 -0.000 0.000 0.306 487 M C 0.192 176.563 176.300 0.119 0.000 1.223 487 M CA -0.025 55.338 55.300 0.105 0.000 0.896 487 M CB 1.382 34.057 32.600 0.125 0.000 1.684 487 M HN 0.962 nan 8.290 nan 0.000 0.491 488 G N -0.009 108.887 108.800 0.159 0.000 2.649 488 G HA2 0.780 4.739 3.960 -0.000 0.000 0.290 488 G HA3 0.780 4.739 3.960 -0.000 0.000 0.290 488 G C -2.225 172.809 174.900 0.223 0.000 1.426 488 G CA -0.543 44.664 45.100 0.179 0.000 0.794 488 G HN 0.837 nan 8.290 nan 0.000 0.483 489 A N -0.351 122.604 122.820 0.224 0.000 2.355 489 A HA 0.722 5.042 4.320 -0.000 0.000 0.317 489 A C -0.295 177.430 177.584 0.234 0.000 1.094 489 A CA -0.530 51.668 52.037 0.267 0.000 0.764 489 A CB 1.708 20.832 19.000 0.207 0.000 1.230 489 A HN 1.254 nan 8.150 nan 0.000 0.448 490 V N 3.287 123.356 119.914 0.258 0.000 2.479 490 V HA 0.174 4.294 4.120 -0.000 0.000 0.281 490 V C 1.334 177.551 176.094 0.205 0.000 1.031 490 V CA 0.847 63.287 62.300 0.233 0.000 1.038 490 V CB 0.871 32.839 31.823 0.241 0.000 0.981 490 V HN 1.113 nan 8.190 nan 0.000 0.478 491 V N 1.723 121.761 119.914 0.206 0.000 3.604 491 V HA 0.444 4.563 4.120 -0.000 0.000 0.277 491 V C 0.527 176.736 176.094 0.192 0.000 1.399 491 V CA 0.819 63.213 62.300 0.158 0.000 1.034 491 V CB 0.250 32.148 31.823 0.125 0.000 0.824 491 V HN 0.882 nan 8.190 nan 0.000 0.439 492 S N -1.141 114.727 115.700 0.280 0.000 2.703 492 S HA 0.404 4.874 4.470 -0.000 0.000 0.273 492 S C 0.262 175.039 174.600 0.294 0.000 1.178 492 S CA -0.019 58.372 58.200 0.318 0.000 0.838 492 S CB 1.281 64.666 63.200 0.310 0.000 1.178 492 S HN 0.153 nan 8.310 nan 0.000 0.494 493 E N -0.456 119.835 120.200 0.153 0.000 2.204 493 E HA -0.080 4.270 4.350 -0.000 0.000 0.195 493 E C 0.584 177.092 176.600 -0.153 0.000 0.990 493 E CA 1.409 57.730 56.400 -0.132 0.000 0.821 493 E CB -0.246 29.259 29.700 -0.326 0.000 0.750 493 E HN 0.602 nan 8.360 nan 0.000 0.477 494 Y N -1.449 118.849 120.300 -0.004 0.000 2.507 494 Y HA 0.179 4.729 4.550 -0.000 0.000 0.263 494 Y C 0.168 175.858 175.900 -0.350 0.000 1.093 494 Y CA 0.098 58.072 58.100 -0.210 0.000 1.285 494 Y CB 0.735 38.995 38.460 -0.333 0.000 1.115 494 Y HN -0.157 nan 8.280 nan 0.000 0.533 495 F N -0.640 119.410 119.950 0.167 0.000 2.495 495 F HA 0.576 5.103 4.527 -0.000 0.000 0.327 495 F C -0.545 175.319 175.800 0.106 0.000 1.103 495 F CA -1.428 56.638 58.000 0.110 0.000 0.949 495 F CB 1.544 40.585 39.000 0.068 0.000 1.142 495 F HN -0.562 nan 8.300 nan 0.000 0.457 496 V N 4.571 124.650 119.914 0.274 0.000 2.487 496 V HA 0.395 4.515 4.120 -0.000 0.000 0.298 496 V C -0.905 175.328 176.094 0.232 0.000 1.028 496 V CA -0.780 61.654 62.300 0.223 0.000 0.860 496 V CB 1.843 33.769 31.823 0.171 0.000 0.991 496 V HN 0.520 nan 8.190 nan 0.000 0.427 497 L N 5.124 126.476 121.223 0.215 0.000 2.289 497 L HA 0.843 5.183 4.340 -0.000 0.000 0.285 497 L C 0.041 177.031 176.870 0.199 0.000 1.049 497 L CA 1.170 56.138 54.840 0.212 0.000 0.804 497 L CB 1.535 43.704 42.059 0.185 0.000 1.195 497 L HN 0.859 nan 8.230 nan 0.000 0.428 498 T N 3.111 117.787 114.554 0.203 0.000 2.618 498 T HA 0.831 5.181 4.350 -0.000 0.000 0.293 498 T C -1.248 173.521 174.700 0.116 0.000 1.093 498 T CA -0.051 62.143 62.100 0.157 0.000 1.061 498 T CB 0.985 69.954 68.868 0.169 0.000 1.498 498 T HN 0.881 nan 8.240 nan 0.000 0.494 499 A N 0.335 123.163 122.820 0.013 0.000 2.310 499 A HA 0.750 5.070 4.320 -0.000 0.000 0.299 499 A C 1.347 178.855 177.584 -0.125 0.000 1.147 499 A CA 0.183 52.189 52.037 -0.053 0.000 0.818 499 A CB 0.505 19.427 19.000 -0.130 0.000 1.096 499 A HN 1.177 nan 8.150 nan 0.000 0.495 500 A N 0.987 123.739 122.820 -0.112 0.000 2.015 500 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 500 A C 1.674 179.264 177.584 0.010 0.000 1.163 500 A CA 1.574 53.548 52.037 -0.105 0.000 0.646 500 A CB -0.890 17.698 19.000 -0.686 0.000 0.806 500 A HN 1.051 nan 8.150 nan 0.000 0.448 501 H N -2.160 116.952 119.070 0.071 0.000 2.559 501 H HA -0.011 4.544 4.556 -0.000 0.000 0.273 501 H C 1.519 176.894 175.328 0.077 0.000 1.000 501 H CA 1.075 57.264 56.048 0.234 0.000 1.195 501 H CB -0.732 29.267 29.762 0.395 0.000 1.368 501 H HN 0.397 nan 8.280 nan 0.000 0.592 502 c N 0.829 119.101 118.600 -0.546 0.000 2.449 502 c HA 0.079 4.649 4.570 -0.000 0.000 0.283 502 c C 0.331 174.018 174.090 -0.671 0.000 1.453 502 c CA 0.227 56.105 56.329 -0.752 0.000 1.779 502 c CB -1.522 40.251 42.510 -1.227 0.000 1.779 502 c HN 0.332 nan 8.230 nan 0.000 0.546 503 F N -0.952 119.107 119.950 0.183 0.000 2.577 503 F HA 0.649 5.176 4.527 -0.000 0.000 0.318 503 F C 0.207 176.158 175.800 0.252 0.000 1.065 503 F CA -0.480 57.662 58.000 0.237 0.000 0.929 503 F CB 1.294 40.481 39.000 0.312 0.000 1.237 503 F HN -0.190 nan 8.300 nan 0.000 0.468 511 S N 0.578 116.359 115.700 0.135 0.000 2.436 511 S HA 0.143 4.613 4.470 -0.000 0.000 0.228 511 S C 1.033 175.708 174.600 0.125 0.000 1.014 511 S CA 0.356 58.630 58.200 0.124 0.000 0.950 511 S CB 0.640 63.912 63.200 0.119 0.000 0.784 511 S HN 0.200 nan 8.310 nan 0.000 0.504 512 I N 3.200 123.838 120.570 0.113 0.000 2.312 512 I HA 0.260 4.430 4.170 -0.000 0.000 0.290 512 I C -0.280 175.900 176.117 0.105 0.000 1.008 512 I CA -0.552 60.828 61.300 0.133 0.000 1.226 512 I CB 0.964 39.022 38.000 0.097 0.000 1.371 512 I HN 0.071 nan 8.210 nan 0.000 0.468 513 K N 5.558 126.027 120.400 0.115 0.000 2.203 513 K HA 0.849 5.168 4.320 -0.000 0.000 0.251 513 K C -1.208 175.448 176.600 0.093 0.000 0.944 513 K CA -0.918 55.421 56.287 0.087 0.000 0.829 513 K CB 2.648 35.190 32.500 0.071 0.000 1.125 513 K HN 0.248 nan 8.250 nan 0.000 0.430 514 V N 1.678 121.634 119.914 0.069 0.000 2.577 514 V HA 0.416 4.536 4.120 -0.000 0.000 0.303 514 V C -0.979 175.141 176.094 0.044 0.000 1.042 514 V CA -0.640 61.704 62.300 0.072 0.000 0.872 514 V CB 1.889 33.755 31.823 0.072 0.000 0.998 514 V HN 1.028 nan 8.190 nan 0.000 0.423 515 S N 4.130 119.856 115.700 0.043 0.000 2.526 515 S HA 0.954 5.424 4.470 -0.000 0.000 0.293 515 S C -0.709 173.884 174.600 -0.012 0.000 1.092 515 S CA -0.654 57.548 58.200 0.003 0.000 0.980 515 S CB 2.022 65.214 63.200 -0.012 0.000 1.048 515 S HN 1.207 nan 8.310 nan 0.000 0.483 516 V N -1.788 118.082 119.914 -0.074 0.000 3.167 516 V HA 0.944 5.064 4.120 -0.000 0.000 0.310 516 V C 1.004 176.907 176.094 -0.318 0.000 1.207 516 V CA -0.461 61.770 62.300 -0.116 0.000 1.059 516 V CB 0.488 32.307 31.823 -0.007 0.000 1.079 516 V HN 2.061 nan 8.190 nan 0.000 0.446 517 G N -0.230 108.319 108.800 -0.419 0.000 2.180 517 G HA2 0.077 4.037 3.960 -0.000 0.000 0.263 517 G HA3 0.077 4.037 3.960 -0.000 0.000 0.263 517 G C 1.445 175.846 174.900 -0.831 0.000 0.989 517 G CA 0.818 45.647 45.100 -0.453 0.000 0.692 517 G HN 2.966 nan 8.290 nan 0.000 0.526 518 G N -0.964 106.870 108.800 -1.611 0.000 2.359 518 G HA2 -0.099 3.860 3.960 -0.000 0.000 0.298 518 G HA3 -0.099 3.860 3.960 -0.000 0.000 0.298 518 G C -0.092 174.586 174.900 -0.369 0.000 1.030 518 G CA 0.987 45.489 45.100 -0.997 0.000 1.149 518 G HN 1.028 nan 8.290 nan 0.000 0.512 519 E N -0.803 119.225 120.200 -0.287 0.000 2.207 519 E HA 0.402 4.752 4.350 -0.000 0.000 0.270 519 E C 1.139 177.684 176.600 -0.091 0.000 0.927 519 E CA -0.860 55.452 56.400 -0.146 0.000 0.799 519 E CB 1.605 31.232 29.700 -0.122 0.000 1.172 519 E HN 0.167 nan 8.360 nan 0.000 0.404 520 K N 2.098 122.464 120.400 -0.056 0.000 2.097 520 K HA -0.091 4.229 4.320 -0.000 0.000 0.206 520 K C 0.615 177.198 176.600 -0.029 0.000 1.049 520 K CA 0.822 57.090 56.287 -0.032 0.000 0.933 520 K CB 0.140 32.626 32.500 -0.022 0.000 0.717 520 K HN 0.336 nan 8.250 nan 0.000 0.442 521 R N 2.557 123.035 120.500 -0.036 0.000 2.501 521 R HA -0.086 4.254 4.340 -0.000 0.000 0.319 521 R C -0.956 175.329 176.300 -0.026 0.000 0.913 521 R CA 0.620 56.702 56.100 -0.030 0.000 1.104 521 R CB 0.067 30.345 30.300 -0.038 0.000 0.901 521 R HN 0.271 nan 8.270 nan 0.000 0.407 522 D N 5.200 125.593 120.400 -0.011 0.000 2.308 522 D HA 0.181 4.821 4.640 -0.000 0.000 0.242 522 D C -0.393 175.910 176.300 0.005 0.000 1.059 522 D CA -0.571 53.430 54.000 0.001 0.000 0.830 522 D CB 1.140 41.950 40.800 0.016 0.000 1.161 522 D HN 0.251 nan 8.370 nan 0.000 0.494 523 L N 0.986 122.213 121.223 0.006 0.000 2.375 523 L HA 0.297 4.637 4.340 -0.000 0.000 0.271 523 L C 0.984 177.863 176.870 0.015 0.000 1.107 523 L CA -0.758 54.083 54.840 0.002 0.000 0.806 523 L CB 0.939 42.993 42.059 -0.008 0.000 1.146 523 L HN 0.464 nan 8.230 nan 0.000 0.447 524 E N 2.938 123.146 120.200 0.013 0.000 2.338 524 E HA 0.314 4.664 4.350 -0.000 0.000 0.272 524 E C -0.602 176.005 176.600 0.012 0.000 1.029 524 E CA -0.540 55.878 56.400 0.029 0.000 0.872 524 E CB 1.034 30.758 29.700 0.040 0.000 1.015 524 E HN 0.483 nan 8.360 nan 0.000 0.417 525 I N 0.876 121.449 120.570 0.007 0.000 2.918 525 I HA 0.351 4.520 4.170 -0.000 0.000 0.316 525 I C 0.597 176.688 176.117 -0.043 0.000 1.001 525 I CA -0.431 60.850 61.300 -0.030 0.000 1.142 525 I CB 1.714 39.680 38.000 -0.057 0.000 1.356 525 I HN 0.726 nan 8.210 nan 0.000 0.524 526 E N 2.086 122.242 120.200 -0.073 0.000 2.306 526 E HA 0.280 4.630 4.350 -0.000 0.000 0.201 526 E C -0.580 175.963 176.600 -0.095 0.000 0.874 526 E CA 0.189 56.542 56.400 -0.077 0.000 0.972 526 E CB 1.448 31.100 29.700 -0.081 0.000 0.957 526 E HN 0.527 nan 8.360 nan 0.000 0.492 527 V N 0.876 120.722 119.914 -0.114 0.000 3.106 527 V HA 0.257 4.377 4.120 -0.000 0.000 0.280 527 V C -1.774 174.235 176.094 -0.142 0.000 1.525 527 V CA -0.806 61.430 62.300 -0.106 0.000 0.999 527 V CB 2.151 33.934 31.823 -0.066 0.000 1.186 527 V HN -0.021 nan 8.190 nan 0.000 0.448 528 V N 6.740 126.540 119.914 -0.191 0.000 2.398 528 V HA 0.542 4.662 4.120 -0.000 0.000 0.286 528 V C -0.201 175.741 176.094 -0.252 0.000 1.026 528 V CA -0.507 61.584 62.300 -0.348 0.000 0.868 528 V CB 1.454 32.842 31.823 -0.724 0.000 0.982 528 V HN 0.657 nan 8.190 nan 0.000 0.443 529 L N 5.646 126.792 121.223 -0.129 0.000 2.265 529 L HA 0.554 4.894 4.340 -0.000 0.000 0.289 529 L C -0.647 176.293 176.870 0.117 0.000 1.033 529 L CA -0.129 54.776 54.840 0.107 0.000 0.814 529 L CB 0.722 42.929 42.059 0.247 0.000 1.203 529 L HN 0.450 nan 8.230 nan 0.000 0.423 530 F N 1.384 121.446 119.950 0.186 0.000 2.385 530 F HA 0.265 4.792 4.527 -0.000 0.000 0.336 530 F C 1.109 176.831 175.800 -0.131 0.000 1.100 530 F CA -0.531 57.493 58.000 0.041 0.000 1.116 530 F CB 0.438 39.469 39.000 0.052 0.000 1.166 530 F HN 0.424 nan 8.300 nan 0.000 0.511 531 H N 5.570 124.317 119.070 -0.538 0.000 3.094 531 H HA -0.016 4.540 4.556 -0.000 0.000 0.320 531 H C -1.550 173.601 175.328 -0.294 0.000 1.000 531 H CA -1.010 54.465 56.048 -0.954 0.000 1.413 531 H CB 1.296 30.533 29.762 -0.874 0.000 1.405 531 H HN 0.338 nan 8.280 nan 0.000 0.586 532 P HA -0.096 nan 4.420 nan 0.000 0.222 532 P C 0.405 177.694 177.300 -0.019 0.000 1.147 532 P CA 1.014 64.062 63.100 -0.086 0.000 0.790 532 P CB 0.479 32.098 31.700 -0.135 0.000 0.780 533 N N -1.828 116.898 118.700 0.043 0.000 2.353 533 N HA -0.008 4.732 4.740 -0.000 0.000 0.185 533 N C 0.305 175.773 175.510 -0.071 0.000 1.098 533 N CA -0.192 52.726 53.050 -0.220 0.000 0.872 533 N CB -0.597 37.299 38.487 -0.985 0.000 0.970 533 N HN 0.171 nan 8.380 nan 0.000 0.467 534 Y N 1.516 121.795 120.300 -0.035 0.000 2.511 534 Y HA 0.282 4.832 4.550 -0.000 0.000 0.332 534 Y C -0.273 175.628 175.900 0.001 0.000 1.177 534 Y CA -0.194 57.918 58.100 0.019 0.000 1.422 534 Y CB 0.340 38.843 38.460 0.072 0.000 1.271 534 Y HN -0.053 nan 8.280 nan 0.000 0.550 535 N N 6.039 124.330 118.700 -0.682 0.000 3.049 535 N HA 0.030 4.770 4.740 -0.000 0.000 0.241 535 N C -0.257 174.919 175.510 -0.557 0.000 1.323 535 N CA -0.385 52.306 53.050 -0.598 0.000 0.824 535 N CB 0.171 38.536 38.487 -0.204 0.000 1.557 535 N HN 0.771 nan 8.380 nan 0.000 0.612 536 I N 2.196 122.296 120.570 -0.783 0.000 2.454 536 I HA -0.034 4.136 4.170 -0.000 0.000 0.254 536 I C 0.632 176.619 176.117 -0.217 0.000 1.156 536 I CA 1.427 62.460 61.300 -0.444 0.000 1.433 536 I CB 0.166 37.998 38.000 -0.281 0.000 1.082 536 I HN 0.427 nan 8.210 nan 0.000 0.432 537 N N 0.432 119.026 118.700 -0.177 0.000 2.276 537 N HA 0.151 4.891 4.740 -0.000 0.000 0.212 537 N C 1.632 177.086 175.510 -0.094 0.000 1.127 537 N CA 0.747 53.728 53.050 -0.113 0.000 0.834 537 N CB 0.096 38.525 38.487 -0.096 0.000 1.014 537 N HN 0.458 nan 8.380 nan 0.000 0.491 538 G N 1.036 109.798 108.800 -0.063 0.000 2.450 538 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.220 538 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.220 538 G C 1.316 176.127 174.900 -0.148 0.000 1.130 538 G CA 0.685 45.752 45.100 -0.054 0.000 0.760 538 G HN 0.259 nan 8.290 nan 0.000 0.557 539 K N -0.415 119.864 120.400 -0.202 0.000 2.438 539 K HA 0.232 4.552 4.320 -0.000 0.000 0.205 539 K C 1.629 178.126 176.600 -0.172 0.000 1.033 539 K CA -0.331 55.797 56.287 -0.266 0.000 1.089 539 K CB 0.603 32.819 32.500 -0.474 0.000 0.857 539 K HN 0.108 nan 8.250 nan 0.000 0.522 540 K N 1.950 122.276 120.400 -0.123 0.000 2.077 540 K HA -0.213 4.107 4.320 -0.000 0.000 0.213 540 K C 1.538 178.089 176.600 -0.082 0.000 1.051 540 K CA 1.950 58.183 56.287 -0.089 0.000 0.929 540 K CB 0.218 32.673 32.500 -0.075 0.000 0.715 540 K HN 0.205 nan 8.250 nan 0.000 0.451 541 E N -0.637 119.512 120.200 -0.086 0.000 2.427 541 E HA -0.091 4.259 4.350 -0.000 0.000 0.196 541 E C 1.227 177.779 176.600 -0.080 0.000 1.028 541 E CA 0.825 57.182 56.400 -0.073 0.000 0.864 541 E CB 0.135 29.795 29.700 -0.067 0.000 0.813 541 E HN 0.327 nan 8.360 nan 0.000 0.514 542 A N 1.096 123.854 122.820 -0.104 0.000 2.307 542 A HA 0.434 4.754 4.320 -0.000 0.000 0.218 542 A C 1.619 179.144 177.584 -0.097 0.000 1.228 542 A CA 0.519 52.490 52.037 -0.110 0.000 0.857 542 A CB -0.257 18.653 19.000 -0.151 0.000 0.897 542 A HN 0.328 nan 8.150 nan 0.000 0.495 543 G N -0.792 107.961 108.800 -0.080 0.000 2.132 543 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.234 543 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.234 543 G C -0.026 174.844 174.900 -0.049 0.000 0.989 543 G CA 0.263 45.330 45.100 -0.056 0.000 0.676 543 G HN 0.501 nan 8.290 nan 0.000 0.522 544 I N 0.776 121.299 120.570 -0.078 0.000 2.405 544 I HA 0.275 4.445 4.170 -0.000 0.000 0.280 544 I C -1.338 174.758 176.117 -0.035 0.000 1.027 544 I CA -2.486 58.778 61.300 -0.059 0.000 1.161 544 I CB 2.091 39.978 38.000 -0.189 0.000 1.300 544 I HN -0.136 nan 8.210 nan 0.000 0.463 545 P HA 0.003 nan 4.420 nan 0.000 0.218 545 P C -0.258 176.996 177.300 -0.076 0.000 1.152 545 P CA 1.042 64.121 63.100 -0.034 0.000 0.826 545 P CB 0.343 32.026 31.700 -0.029 0.000 0.790 546 E N -0.952 119.197 120.200 -0.085 0.000 2.176 546 E HA 0.437 4.787 4.350 -0.000 0.000 0.267 546 E C -1.395 175.062 176.600 -0.239 0.000 0.893 546 E CA -0.604 55.622 56.400 -0.290 0.000 0.761 546 E CB 1.016 30.405 29.700 -0.517 0.000 1.133 546 E HN -0.125 nan 8.360 nan 0.000 0.409 547 F N 3.288 122.955 119.950 -0.471 0.000 2.403 547 F HA 0.319 4.846 4.527 -0.000 0.000 0.355 547 F C -0.809 174.811 175.800 -0.299 0.000 1.119 547 F CA -1.096 56.709 58.000 -0.325 0.000 1.007 547 F CB 0.430 39.298 39.000 -0.219 0.000 1.194 547 F HN 0.529 nan 8.300 nan 0.000 0.443 548 Y N 1.934 122.066 120.300 -0.280 0.000 2.493 548 Y HA 0.124 4.674 4.550 -0.000 0.000 0.275 548 Y C 0.835 176.761 175.900 0.043 0.000 1.183 548 Y CA -0.316 57.782 58.100 -0.003 0.000 1.258 548 Y CB -0.483 38.039 38.460 0.103 0.000 1.108 548 Y HN 0.446 nan 8.280 nan 0.000 0.521 549 D N -0.398 119.709 120.400 -0.490 0.000 2.443 549 D HA -0.130 4.510 4.640 -0.000 0.000 0.239 549 D C -0.070 176.153 176.300 -0.127 0.000 1.136 549 D CA 0.646 54.373 54.000 -0.454 0.000 0.879 549 D CB 0.263 40.646 40.800 -0.695 0.000 1.195 549 D HN 0.266 nan 8.370 nan 0.000 0.443 550 Y N 0.170 120.279 120.300 -0.318 0.000 3.491 550 Y HA -0.266 4.284 4.550 -0.000 0.000 0.215 550 Y C 0.554 176.393 175.900 -0.102 0.000 1.219 550 Y CA 0.699 58.597 58.100 -0.336 0.000 1.485 550 Y CB -1.609 36.580 38.460 -0.451 0.000 1.450 550 Y HN 0.396 nan 8.280 nan 0.000 0.603 551 D N 1.307 121.760 120.400 0.087 0.000 2.767 551 D HA 0.336 4.976 4.640 -0.000 0.000 0.231 551 D C -0.192 176.111 176.300 0.005 0.000 1.105 551 D CA 0.379 54.471 54.000 0.154 0.000 1.024 551 D CB -0.473 40.599 40.800 0.453 0.000 1.123 551 D HN 0.196 nan 8.370 nan 0.000 0.470 552 V N -1.442 118.405 119.914 -0.112 0.000 2.876 552 V HA 0.987 5.106 4.120 -0.000 0.000 0.312 552 V C -0.569 175.445 176.094 -0.134 0.000 1.085 552 V CA -1.183 61.077 62.300 -0.067 0.000 0.945 552 V CB 1.530 33.354 31.823 0.002 0.000 1.017 552 V HN 0.199 nan 8.190 nan 0.000 0.428 553 A N 3.787 126.652 122.820 0.075 0.000 2.515 553 A HA 0.891 5.211 4.320 -0.000 0.000 0.298 553 A C -1.308 176.474 177.584 0.330 0.000 1.059 553 A CA -0.694 51.407 52.037 0.107 0.000 0.698 553 A CB 1.845 20.776 19.000 -0.115 0.000 1.289 553 A HN 1.026 nan 8.150 nan 0.000 0.404 554 L N 2.324 123.776 121.223 0.382 0.000 2.307 554 L HA 0.521 4.860 4.340 -0.000 0.000 0.284 554 L C -0.767 176.190 176.870 0.146 0.000 1.023 554 L CA -0.419 54.587 54.840 0.276 0.000 0.810 554 L CB 1.529 43.681 42.059 0.154 0.000 1.231 554 L HN 0.604 nan 8.230 nan 0.000 0.423 555 I N 4.050 124.705 120.570 0.142 0.000 2.312 555 I HA 0.237 4.407 4.170 -0.000 0.000 0.290 555 I C 0.081 176.177 176.117 -0.035 0.000 1.008 555 I CA -0.460 60.841 61.300 0.001 0.000 1.226 555 I CB 1.251 39.249 38.000 -0.004 0.000 1.371 555 I HN 0.499 nan 8.210 nan 0.000 0.468 556 K N 7.550 127.835 120.400 -0.192 0.000 2.262 556 K HA 0.462 4.782 4.320 -0.000 0.000 0.282 556 K C -0.589 175.873 176.600 -0.229 0.000 1.066 556 K CA -0.540 55.447 56.287 -0.500 0.000 0.901 556 K CB 0.744 32.861 32.500 -0.639 0.000 1.089 556 K HN 0.535 nan 8.250 nan 0.000 0.476 557 L N 3.946 125.086 121.223 -0.139 0.000 2.464 557 L HA 0.105 4.445 4.340 -0.000 0.000 0.264 557 L C 1.479 178.375 176.870 0.043 0.000 1.199 557 L CA -0.227 54.589 54.840 -0.039 0.000 0.818 557 L CB 0.494 42.522 42.059 -0.052 0.000 1.102 557 L HN 0.671 nan 8.230 nan 0.000 0.473 558 K N 0.823 121.234 120.400 0.018 0.000 2.103 558 K HA 0.019 4.339 4.320 -0.000 0.000 0.204 558 K C 0.177 176.821 176.600 0.073 0.000 1.052 558 K CA 0.990 57.306 56.287 0.048 0.000 0.945 558 K CB 0.234 32.745 32.500 0.018 0.000 0.722 558 K HN 0.519 nan 8.250 nan 0.000 0.443 559 N N 0.526 119.207 118.700 -0.032 0.000 2.335 559 N HA 0.184 4.924 4.740 -0.000 0.000 0.304 559 N C -1.334 173.972 175.510 -0.340 0.000 1.135 559 N CA -0.552 52.416 53.050 -0.137 0.000 0.817 559 N CB 1.567 39.995 38.487 -0.100 0.000 1.294 559 N HN -0.070 nan 8.380 nan 0.000 0.497 560 K N 0.934 121.031 120.400 -0.506 0.000 2.401 560 K HA 0.240 4.559 4.320 -0.000 0.000 0.278 560 K C 0.074 176.460 176.600 -0.356 0.000 1.018 560 K CA -0.221 55.698 56.287 -0.614 0.000 0.981 560 K CB 0.677 32.825 32.500 -0.587 0.000 0.933 560 K HN 0.337 nan 8.250 nan 0.000 0.477 561 L N 2.862 123.891 121.223 -0.323 0.000 2.456 561 L HA 0.073 4.413 4.340 -0.000 0.000 0.272 561 L C 0.539 177.234 176.870 -0.291 0.000 1.189 561 L CA 0.149 54.856 54.840 -0.221 0.000 0.846 561 L CB 0.230 42.220 42.059 -0.116 0.000 1.111 561 L HN 0.478 nan 8.230 nan 0.000 0.475 562 K N 2.649 122.948 120.400 -0.168 0.000 2.264 562 K HA 0.244 4.564 4.320 -0.000 0.000 0.277 562 K C -0.947 175.650 176.600 -0.006 0.000 1.067 562 K CA -0.624 55.578 56.287 -0.142 0.000 0.900 562 K CB 0.472 32.924 32.500 -0.081 0.000 1.124 562 K HN 0.193 nan 8.250 nan 0.000 0.469 563 Y N 1.635 121.918 120.300 -0.028 0.000 2.480 563 Y HA 0.336 4.886 4.550 -0.000 0.000 0.338 563 Y C 1.235 177.122 175.900 -0.022 0.000 1.220 563 Y CA 0.173 58.264 58.100 -0.015 0.000 1.430 563 Y CB 1.139 39.597 38.460 -0.003 0.000 1.311 563 Y HN 0.814 nan 8.280 nan 0.000 0.575 564 G N 0.711 109.598 108.800 0.144 0.000 2.634 564 G HA2 0.126 4.086 3.960 -0.000 0.000 0.309 564 G HA3 0.126 4.086 3.960 -0.000 0.000 0.309 564 G C -0.160 174.726 174.900 -0.023 0.000 1.299 564 G CA -0.654 44.473 45.100 0.045 0.000 0.798 564 G HN 0.321 nan 8.290 nan 0.000 0.490 565 Q N -0.590 119.162 119.800 -0.079 0.000 2.197 565 Q HA -0.140 4.200 4.340 -0.000 0.000 0.207 565 Q C 2.234 178.055 176.000 -0.298 0.000 0.984 565 Q CA 2.300 57.954 55.803 -0.249 0.000 0.869 565 Q CB -0.263 28.260 28.738 -0.358 0.000 0.906 565 Q HN 0.739 nan 8.270 nan 0.000 0.426 566 T N -3.987 110.493 114.554 -0.123 0.000 3.043 566 T HA 0.378 4.728 4.350 -0.000 0.000 0.272 566 T C 0.678 175.377 174.700 -0.001 0.000 0.990 566 T CA -0.238 61.840 62.100 -0.036 0.000 0.897 566 T CB 0.268 69.165 68.868 0.049 0.000 1.111 566 T HN -0.013 nan 8.240 nan 0.000 0.529 567 I N 2.170 122.744 120.570 0.006 0.000 2.466 567 I HA 0.532 4.702 4.170 -0.000 0.000 0.279 567 I C -0.522 175.616 176.117 0.034 0.000 1.033 567 I CA -0.837 60.501 61.300 0.063 0.000 1.123 567 I CB 1.250 39.318 38.000 0.113 0.000 1.237 567 I HN -0.006 nan 8.210 nan 0.000 0.460 568 R N 5.829 126.305 120.500 -0.039 0.000 2.740 568 R HA 0.585 4.925 4.340 -0.000 0.000 0.273 568 R C -2.922 173.306 176.300 -0.121 0.000 0.998 568 R CA -1.876 54.075 56.100 -0.248 0.000 0.900 568 R CB 2.430 32.646 30.300 -0.140 0.000 1.223 568 R HN 0.152 nan 8.270 nan 0.000 0.466 569 P HA 0.280 nan 4.420 nan 0.000 0.281 569 P C -0.717 176.599 177.300 0.027 0.000 1.249 569 P CA -0.455 62.620 63.100 -0.042 0.000 0.810 569 P CB 1.000 32.658 31.700 -0.071 0.000 1.008 570 I N 1.276 121.870 120.570 0.039 0.000 2.498 570 I HA 0.265 4.435 4.170 -0.000 0.000 0.301 570 I C -0.238 175.828 176.117 -0.086 0.000 0.984 570 I CA -0.970 60.279 61.300 -0.084 0.000 1.204 570 I CB 1.112 38.939 38.000 -0.289 0.000 1.362 570 I HN 0.330 nan 8.210 nan 0.000 0.471 571 c N 6.845 125.383 118.600 -0.103 0.000 2.662 571 c HA 0.284 4.854 4.570 -0.000 0.000 0.420 571 c C 0.399 174.420 174.090 -0.116 0.000 1.314 571 c CA -0.450 55.817 56.329 -0.104 0.000 1.963 571 c CB -0.600 41.853 42.510 -0.095 0.000 2.686 571 c HN 0.495 nan 8.230 nan 0.000 0.609 572 L N 3.840 124.981 121.223 -0.137 0.000 2.334 572 L HA 0.460 4.800 4.340 -0.000 0.000 0.270 572 L C -2.192 174.568 176.870 -0.185 0.000 1.018 572 L CA -1.815 52.945 54.840 -0.134 0.000 0.811 572 L CB 1.266 43.272 42.059 -0.090 0.000 1.271 572 L HN 0.313 nan 8.230 nan 0.000 0.443 573 P HA 0.065 nan 4.420 nan 0.000 0.271 573 P C -0.320 176.838 177.300 -0.237 0.000 1.218 573 P CA -0.252 62.602 63.100 -0.411 0.000 0.780 573 P CB 0.384 31.379 31.700 -1.174 0.000 0.901 574 c N 0.446 118.969 118.600 -0.127 0.000 4.350 574 c HA -0.095 4.475 4.570 -0.000 0.000 0.302 574 c C 0.837 174.899 174.090 -0.046 0.000 1.390 574 c CA 1.229 57.557 56.329 -0.002 0.000 2.016 574 c CB -3.186 39.370 42.510 0.078 0.000 1.271 574 c HN 0.837 nan 8.230 nan 0.000 0.760 575 T N -3.956 110.489 114.554 -0.183 0.000 2.930 575 T HA 0.577 4.927 4.350 -0.000 0.000 0.290 575 T C 0.868 175.461 174.700 -0.178 0.000 1.052 575 T CA -0.334 61.578 62.100 -0.313 0.000 1.017 575 T CB 1.475 70.021 68.868 -0.537 0.000 1.137 575 T HN 0.386 nan 8.240 nan 0.000 0.511 576 E N 0.901 121.003 120.200 -0.162 0.000 2.085 576 E HA -0.066 4.284 4.350 -0.000 0.000 0.194 576 E C 2.282 178.820 176.600 -0.104 0.000 0.994 576 E CA 1.248 57.586 56.400 -0.103 0.000 0.801 576 E CB -0.694 28.956 29.700 -0.084 0.000 0.743 576 E HN 0.870 nan 8.360 nan 0.000 0.453 577 G N 0.718 109.440 108.800 -0.130 0.000 2.469 577 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.219 577 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.219 577 G C 1.656 176.494 174.900 -0.103 0.000 1.150 577 G CA 1.482 46.517 45.100 -0.109 0.000 0.763 577 G HN 0.206 nan 8.290 nan 0.000 0.561 578 T N 0.429 114.913 114.554 -0.117 0.000 2.942 578 T HA -0.033 4.317 4.350 -0.000 0.000 0.265 578 T C 2.617 177.269 174.700 -0.080 0.000 1.062 578 T CA 1.509 63.551 62.100 -0.096 0.000 1.139 578 T CB -0.315 68.496 68.868 -0.096 0.000 0.883 578 T HN 0.265 nan 8.240 nan 0.000 0.468 579 T N 1.624 116.134 114.554 -0.074 0.000 2.720 579 T HA -0.073 4.277 4.350 -0.000 0.000 0.268 579 T C 2.166 176.818 174.700 -0.080 0.000 1.037 579 T CA 1.137 63.200 62.100 -0.062 0.000 1.144 579 T CB -0.098 68.741 68.868 -0.049 0.000 0.864 579 T HN 0.279 nan 8.240 nan 0.000 0.444 580 R N 0.503 120.952 120.500 -0.085 0.000 2.119 580 R HA 0.230 4.570 4.340 -0.000 0.000 0.222 580 R C 2.678 178.901 176.300 -0.127 0.000 1.088 580 R CA 0.911 56.955 56.100 -0.094 0.000 0.984 580 R CB -0.318 29.939 30.300 -0.073 0.000 0.884 580 R HN 0.321 nan 8.270 nan 0.000 0.447 581 A N 0.721 123.471 122.820 -0.116 0.000 1.933 581 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 581 A C 1.826 179.298 177.584 -0.187 0.000 1.175 581 A CA 1.167 53.125 52.037 -0.132 0.000 0.628 581 A CB -0.371 18.569 19.000 -0.099 0.000 0.814 581 A HN 0.218 nan 8.150 nan 0.000 0.444 582 L N -1.325 119.800 121.223 -0.164 0.000 2.591 582 L HA 0.080 4.420 4.340 -0.000 0.000 0.228 582 L C 0.314 177.053 176.870 -0.219 0.000 1.133 582 L CA -0.246 54.489 54.840 -0.175 0.000 0.880 582 L CB -0.036 41.957 42.059 -0.110 0.000 1.033 582 L HN 0.293 nan 8.230 nan 0.000 0.450 583 R N -0.470 119.877 120.500 -0.254 0.000 3.531 583 R HA -0.136 4.204 4.340 -0.000 0.000 0.280 583 R C -0.559 175.659 176.300 -0.136 0.000 1.130 583 R CA 0.583 56.523 56.100 -0.268 0.000 0.757 583 R CB -2.839 27.172 30.300 -0.481 0.000 1.218 583 R HN 0.356 nan 8.270 nan 0.000 0.454 584 L N 0.348 121.511 121.223 -0.101 0.000 2.365 584 L HA 0.602 4.942 4.340 -0.000 0.000 0.267 584 L C -1.637 175.205 176.870 -0.046 0.000 1.033 584 L CA -2.320 52.483 54.840 -0.062 0.000 0.802 584 L CB 0.899 42.927 42.059 -0.051 0.000 1.267 584 L HN -0.193 nan 8.230 nan 0.000 0.457 585 P HA 0.170 nan 4.420 nan 0.000 0.276 585 P C -2.185 175.102 177.300 -0.021 0.000 1.244 585 P CA -1.379 61.707 63.100 -0.024 0.000 0.801 585 P CB 0.013 31.703 31.700 -0.017 0.000 1.006 586 P HA -0.126 nan 4.420 nan 0.000 0.231 586 P C 0.910 178.205 177.300 -0.009 0.000 1.158 586 P CA 1.398 64.489 63.100 -0.015 0.000 0.763 586 P CB -0.485 31.207 31.700 -0.013 0.000 0.805 587 T N -5.128 109.422 114.554 -0.007 0.000 3.107 587 T HA 0.053 4.402 4.350 -0.000 0.000 0.249 587 T C 0.792 175.493 174.700 0.001 0.000 1.096 587 T CA -0.027 62.072 62.100 -0.002 0.000 1.012 587 T CB -1.201 67.666 68.868 -0.002 0.000 0.977 587 T HN -0.077 nan 8.240 nan 0.000 0.527 588 T N 4.098 118.650 114.554 -0.003 0.000 2.934 588 T HA 0.306 4.655 4.350 -0.000 0.000 0.306 588 T C 0.710 175.419 174.700 0.014 0.000 1.042 588 T CA 0.359 62.460 62.100 0.002 0.000 1.145 588 T CB 0.689 69.554 68.868 -0.005 0.000 0.982 588 T HN 0.690 nan 8.240 nan 0.000 0.544 589 T N -0.480 114.087 114.554 0.023 0.000 2.912 589 T HA 0.219 4.569 4.350 -0.000 0.000 0.280 589 T C 1.702 176.439 174.700 0.062 0.000 0.989 589 T CA -0.921 61.202 62.100 0.038 0.000 0.995 589 T CB 0.901 69.788 68.868 0.033 0.000 1.077 589 T HN 0.700 nan 8.240 nan 0.000 0.531 590 c N 0.532 119.183 118.600 0.085 0.000 2.429 590 c HA -0.059 4.511 4.570 -0.000 0.000 0.277 590 c C 2.773 176.956 174.090 0.155 0.000 1.262 590 c CA 1.620 58.036 56.329 0.144 0.000 1.733 590 c CB -1.500 41.102 42.510 0.152 0.000 2.010 590 c HN 1.055 nan 8.230 nan 0.000 0.483 591 Q N 0.634 120.487 119.800 0.089 0.000 2.135 591 Q HA -0.208 4.131 4.340 -0.000 0.000 0.204 591 Q C 2.156 178.162 176.000 0.010 0.000 0.981 591 Q CA 2.045 57.871 55.803 0.039 0.000 0.856 591 Q CB -0.479 28.273 28.738 0.023 0.000 0.902 591 Q HN 0.796 nan 8.270 nan 0.000 0.425 592 Q N -0.806 119.009 119.800 0.024 0.000 2.167 592 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 592 Q C 2.160 178.169 176.000 0.015 0.000 0.970 592 Q CA 1.301 57.109 55.803 0.008 0.000 0.855 592 Q CB 0.032 28.775 28.738 0.009 0.000 0.911 592 Q HN 0.519 nan 8.270 nan 0.000 0.438 593 Q N 0.479 120.320 119.800 0.067 0.000 2.079 593 Q HA -0.175 4.164 4.340 -0.000 0.000 0.200 593 Q C 1.946 177.995 176.000 0.082 0.000 0.974 593 Q CA 1.073 56.948 55.803 0.120 0.000 0.840 593 Q CB -0.059 28.815 28.738 0.227 0.000 0.898 593 Q HN 0.195 nan 8.270 nan 0.000 0.430 594 K N 1.136 121.502 120.400 -0.057 0.000 2.057 594 K HA -0.187 4.132 4.320 -0.000 0.000 0.207 594 K C 1.739 178.146 176.600 -0.323 0.000 1.049 594 K CA 1.364 57.302 56.287 -0.581 0.000 0.931 594 K CB 0.138 32.214 32.500 -0.707 0.000 0.714 594 K HN 0.156 nan 8.250 nan 0.000 0.440 595 E N -0.083 120.018 120.200 -0.164 0.000 2.153 595 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 595 E C 1.826 178.375 176.600 -0.085 0.000 0.988 595 E CA 1.295 57.629 56.400 -0.110 0.000 0.811 595 E CB 0.084 29.744 29.700 -0.067 0.000 0.746 595 E HN 0.288 nan 8.360 nan 0.000 0.466 596 E N 0.629 120.790 120.200 -0.065 0.000 2.076 596 E HA -0.067 4.282 4.350 -0.000 0.000 0.190 596 E C 1.793 178.366 176.600 -0.045 0.000 0.979 596 E CA 0.795 57.168 56.400 -0.045 0.000 0.807 596 E CB 0.041 29.724 29.700 -0.029 0.000 0.761 596 E HN 0.175 nan 8.360 nan 0.000 0.454 597 L N -0.523 120.679 121.223 -0.036 0.000 2.168 597 L HA 0.148 4.488 4.340 -0.000 0.000 0.203 597 L C 0.761 177.606 176.870 -0.042 0.000 1.078 597 L CA 0.480 55.318 54.840 -0.003 0.000 0.780 597 L CB 0.170 42.307 42.059 0.129 0.000 0.939 597 L HN 0.079 nan 8.230 nan 0.000 0.451 598 L N 1.619 122.764 121.223 -0.130 0.000 2.679 598 L HA 0.322 4.661 4.340 -0.000 0.000 0.238 598 L C -2.254 174.543 176.870 -0.123 0.000 1.330 598 L CA -1.563 53.199 54.840 -0.130 0.000 0.935 598 L CB 0.539 42.473 42.059 -0.207 0.000 1.243 598 L HN -0.062 nan 8.230 nan 0.000 0.484 599 P HA 0.047 nan 4.420 nan 0.000 0.272 599 P C -0.037 177.238 177.300 -0.042 0.000 1.240 599 P CA -0.379 62.685 63.100 -0.060 0.000 0.791 599 P CB 1.174 32.851 31.700 -0.039 0.000 0.978 600 A N 1.562 124.361 122.820 -0.036 0.000 3.026 600 A HA 0.187 4.506 4.320 -0.000 0.000 0.272 600 A C 0.638 178.215 177.584 -0.010 0.000 1.782 600 A CA 0.213 52.238 52.037 -0.021 0.000 1.451 600 A CB -1.158 17.829 19.000 -0.021 0.000 1.081 600 A HN 0.616 nan 8.150 nan 0.000 0.611 601 Q N 0.464 120.264 119.800 0.000 0.000 2.737 601 Q HA 0.234 4.574 4.340 -0.000 0.000 0.307 601 Q C -1.890 174.132 176.000 0.038 0.000 0.905 601 Q CA -0.910 54.901 55.803 0.012 0.000 0.753 601 Q CB 0.865 29.610 28.738 0.011 0.000 1.463 601 Q HN 0.314 nan 8.270 nan 0.000 0.455 602 D N 1.688 122.124 120.400 0.061 0.000 2.343 602 D HA 0.354 4.993 4.640 -0.000 0.000 0.255 602 D C -0.465 175.961 176.300 0.211 0.000 1.187 602 D CA 0.366 54.447 54.000 0.136 0.000 0.875 602 D CB 0.566 41.431 40.800 0.109 0.000 1.136 602 D HN 0.345 nan 8.370 nan 0.000 0.469 603 I N 2.330 123.007 120.570 0.179 0.000 2.355 603 I HA 0.112 4.282 4.170 -0.000 0.000 0.288 603 I C 0.730 176.812 176.117 -0.057 0.000 0.999 603 I CA -0.777 60.567 61.300 0.074 0.000 1.163 603 I CB 1.454 39.463 38.000 0.015 0.000 1.316 603 I HN -0.035 nan 8.210 nan 0.000 0.454 604 K N 5.778 126.074 120.400 -0.174 0.000 2.412 604 K HA 0.540 4.860 4.320 -0.000 0.000 0.281 604 K C -0.512 175.915 176.600 -0.288 0.000 1.027 604 K CA 0.168 56.134 56.287 -0.536 0.000 0.989 604 K CB 0.696 32.968 32.500 -0.380 0.000 0.935 604 K HN 0.821 nan 8.250 nan 0.000 0.475 605 A N 3.621 126.261 122.820 -0.299 0.000 2.535 605 A HA 0.752 5.072 4.320 -0.000 0.000 0.296 605 A C -1.664 175.864 177.584 -0.093 0.000 1.248 605 A CA -0.843 51.114 52.037 -0.133 0.000 0.686 605 A CB 0.902 19.845 19.000 -0.095 0.000 1.315 605 A HN 0.666 nan 8.150 nan 0.000 0.460 606 L N -2.628 118.589 121.223 -0.010 0.000 2.622 606 L HA 0.968 5.308 4.340 -0.000 0.000 0.258 606 L C -0.824 176.121 176.870 0.126 0.000 0.996 606 L CA -0.651 54.193 54.840 0.007 0.000 0.858 606 L CB 1.410 43.468 42.059 -0.003 0.000 1.449 606 L HN 1.286 nan 8.230 nan 0.000 0.411 607 F N -0.618 119.353 119.950 0.035 0.000 2.650 607 F HA 0.975 5.501 4.527 -0.000 0.000 0.320 607 F C -1.386 174.463 175.800 0.081 0.000 1.091 607 F CA -1.382 56.658 58.000 0.067 0.000 0.962 607 F CB 1.669 40.707 39.000 0.063 0.000 1.363 607 F HN 0.310 nan 8.300 nan 0.000 0.482 608 V N 1.719 121.817 119.914 0.307 0.000 2.384 608 V HA 0.585 4.705 4.120 -0.000 0.000 0.287 608 V C -0.505 175.740 176.094 0.252 0.000 1.020 608 V CA -0.481 61.896 62.300 0.128 0.000 0.850 608 V CB 1.004 32.894 31.823 0.112 0.000 0.987 608 V HN 0.912 nan 8.190 nan 0.000 0.436 609 S N 3.206 118.979 115.700 0.120 0.000 2.503 609 S HA 0.480 4.950 4.470 -0.000 0.000 0.301 609 S C -0.539 174.101 174.600 0.066 0.000 1.087 609 S CA -0.646 57.667 58.200 0.189 0.000 1.042 609 S CB 1.491 64.843 63.200 0.254 0.000 1.043 609 S HN 0.891 nan 8.310 nan 0.000 0.489 610 E N 2.807 123.050 120.200 0.072 0.000 2.152 610 E HA 0.188 4.538 4.350 -0.000 0.000 0.285 610 E C -0.658 175.967 176.600 0.043 0.000 1.043 610 E CA -0.158 56.263 56.400 0.036 0.000 0.839 610 E CB 0.533 30.261 29.700 0.046 0.000 1.069 610 E HN 0.608 nan 8.360 nan 0.000 0.399 611 E N 5.083 125.297 120.200 0.024 0.000 2.183 611 E HA 0.082 4.432 4.350 -0.000 0.000 0.250 611 E C -1.078 175.534 176.600 0.020 0.000 0.901 611 E CA -0.270 56.146 56.400 0.027 0.000 0.741 611 E CB 0.427 30.141 29.700 0.023 0.000 1.182 611 E HN 0.693 nan 8.360 nan 0.000 0.425 612 E N 3.727 123.943 120.200 0.026 0.000 2.266 612 E HA -0.223 4.127 4.350 -0.000 0.000 0.209 612 E C -0.291 176.323 176.600 0.023 0.000 1.286 612 E CA 0.605 57.019 56.400 0.023 0.000 0.677 612 E CB -0.905 28.806 29.700 0.018 0.000 1.173 612 E HN 0.777 nan 8.360 nan 0.000 0.384 613 K N -1.429 118.990 120.400 0.031 0.000 3.349 613 K HA -0.253 4.067 4.320 -0.000 0.000 0.310 613 K C -0.311 176.307 176.600 0.030 0.000 1.267 613 K CA 1.537 57.847 56.287 0.039 0.000 0.920 613 K CB -0.635 31.888 32.500 0.039 0.000 1.240 613 K HN 0.303 nan 8.250 nan 0.000 0.453 614 K N 1.084 121.489 120.400 0.008 0.000 2.358 614 K HA 0.400 4.720 4.320 -0.000 0.000 0.260 614 K C -0.043 176.525 176.600 -0.053 0.000 0.956 614 K CA -0.605 55.670 56.287 -0.020 0.000 0.834 614 K CB 1.480 33.969 32.500 -0.018 0.000 1.102 614 K HN -0.007 nan 8.250 nan 0.000 0.431 615 L N 1.908 123.058 121.223 -0.121 0.000 2.439 615 L HA 0.279 4.619 4.340 -0.000 0.000 0.269 615 L C 0.532 177.318 176.870 -0.140 0.000 1.179 615 L CA 0.208 54.944 54.840 -0.174 0.000 0.828 615 L CB 1.054 42.896 42.059 -0.361 0.000 1.106 615 L HN 0.668 nan 8.230 nan 0.000 0.467 616 T N 2.810 117.291 114.554 -0.121 0.000 2.982 616 T HA 0.362 4.712 4.350 -0.000 0.000 0.321 616 T C -0.701 173.912 174.700 -0.144 0.000 1.229 616 T CA -0.850 61.182 62.100 -0.114 0.000 1.044 616 T CB 1.116 69.936 68.868 -0.080 0.000 1.184 616 T HN 0.570 nan 8.240 nan 0.000 0.477 617 R N 3.026 123.440 120.500 -0.143 0.000 2.357 617 R HA 0.525 4.865 4.340 -0.000 0.000 0.296 617 R C -0.333 175.814 176.300 -0.255 0.000 1.052 617 R CA -0.895 55.101 56.100 -0.172 0.000 0.988 617 R CB 0.699 30.945 30.300 -0.091 0.000 1.025 617 R HN 0.334 nan 8.270 nan 0.000 0.469 618 K N 2.567 122.688 120.400 -0.465 0.000 2.358 618 K HA 0.177 4.497 4.320 -0.000 0.000 0.260 618 K C -0.665 175.709 176.600 -0.376 0.000 0.956 618 K CA -0.539 55.425 56.287 -0.539 0.000 0.834 618 K CB 2.018 33.855 32.500 -1.104 0.000 1.102 618 K HN 0.563 nan 8.250 nan 0.000 0.431 619 E N 2.607 122.702 120.200 -0.176 0.000 2.194 619 E HA 0.280 4.630 4.350 -0.000 0.000 0.284 619 E C -0.416 176.168 176.600 -0.026 0.000 1.035 619 E CA -0.577 55.761 56.400 -0.104 0.000 0.836 619 E CB 0.799 30.459 29.700 -0.067 0.000 1.070 619 E HN 0.387 nan 8.360 nan 0.000 0.401 620 V N 1.692 121.579 119.914 -0.044 0.000 3.141 620 V HA 0.573 4.693 4.120 -0.000 0.000 0.312 620 V C -1.426 174.605 176.094 -0.104 0.000 1.157 620 V CA -0.938 61.408 62.300 0.078 0.000 1.041 620 V CB 1.333 33.267 31.823 0.184 0.000 1.071 620 V HN 0.570 nan 8.190 nan 0.000 0.441 621 Y N 0.826 121.177 120.300 0.086 0.000 2.341 621 Y HA 0.686 5.236 4.550 -0.000 0.000 0.338 621 Y C 0.232 176.150 175.900 0.031 0.000 0.965 621 Y CA -0.649 57.493 58.100 0.069 0.000 1.108 621 Y CB 1.895 40.416 38.460 0.102 0.000 1.180 621 Y HN 0.544 nan 8.280 nan 0.000 0.458 622 I N 5.225 125.856 120.570 0.102 0.000 2.396 622 I HA 0.152 4.322 4.170 -0.000 0.000 0.289 622 I C -0.314 175.855 176.117 0.087 0.000 1.056 622 I CA -0.722 60.614 61.300 0.061 0.000 1.365 622 I CB 0.509 38.519 38.000 0.016 0.000 1.407 622 I HN 0.364 nan 8.210 nan 0.000 0.509 623 K N 5.658 126.095 120.400 0.062 0.000 2.150 623 K HA 0.138 4.458 4.320 -0.000 0.000 0.261 623 K C 0.013 176.639 176.600 0.043 0.000 1.127 623 K CA 0.005 56.321 56.287 0.049 0.000 0.989 623 K CB -0.124 32.392 32.500 0.026 0.000 1.475 623 K HN 0.437 nan 8.250 nan 0.000 0.391 624 N N 0.906 119.630 118.700 0.040 0.000 2.214 624 N HA 0.073 4.813 4.740 -0.000 0.000 0.214 624 N C 0.554 176.074 175.510 0.017 0.000 1.132 624 N CA -0.044 53.024 53.050 0.029 0.000 0.856 624 N CB 0.705 39.203 38.487 0.017 0.000 1.020 624 N HN 0.567 nan 8.380 nan 0.000 0.509 625 G N -0.348 108.461 108.800 0.015 0.000 3.414 625 G HA2 0.020 3.980 3.960 -0.000 0.000 0.196 625 G HA3 0.020 3.980 3.960 -0.000 0.000 0.196 625 G C 0.421 175.323 174.900 0.003 0.000 1.486 625 G CA 0.216 45.319 45.100 0.004 0.000 0.811 625 G HN 0.329 nan 8.290 nan 0.000 0.704 626 D N 0.208 120.604 120.400 -0.007 0.000 2.310 626 D HA -0.045 4.595 4.640 -0.000 0.000 0.212 626 D C 1.631 177.928 176.300 -0.006 0.000 0.965 626 D CA 0.825 54.820 54.000 -0.009 0.000 0.879 626 D CB -0.020 40.767 40.800 -0.021 0.000 0.921 626 D HN 0.426 nan 8.370 nan 0.000 0.510 627 K N -0.002 120.394 120.400 -0.007 0.000 2.393 627 K HA 0.068 4.388 4.320 -0.000 0.000 0.193 627 K C 1.946 178.556 176.600 0.017 0.000 1.026 627 K CA -0.095 56.189 56.287 -0.004 0.000 1.064 627 K CB 0.406 32.894 32.500 -0.020 0.000 0.833 627 K HN 0.013 nan 8.250 nan 0.000 0.521 628 K N 1.272 121.688 120.400 0.026 0.000 2.044 628 K HA -0.181 4.139 4.320 -0.000 0.000 0.210 628 K C 2.073 178.710 176.600 0.062 0.000 1.049 628 K CA 1.830 58.146 56.287 0.048 0.000 0.927 628 K CB -0.324 32.207 32.500 0.051 0.000 0.713 628 K HN 0.243 nan 8.250 nan 0.000 0.443 629 G N 0.208 109.039 108.800 0.051 0.000 2.459 629 G HA2 -0.334 3.625 3.960 -0.000 0.000 0.217 629 G HA3 -0.334 3.625 3.960 -0.000 0.000 0.217 629 G C 1.542 176.480 174.900 0.064 0.000 1.183 629 G CA 1.429 46.562 45.100 0.055 0.000 0.776 629 G HN 0.529 nan 8.290 nan 0.000 0.552 630 S N -0.778 114.954 115.700 0.053 0.000 2.402 630 S HA -0.147 4.323 4.470 -0.000 0.000 0.229 630 S C 2.369 177.018 174.600 0.082 0.000 1.021 630 S CA 1.365 59.603 58.200 0.064 0.000 0.974 630 S CB -0.886 62.342 63.200 0.046 0.000 0.800 630 S HN 0.398 nan 8.310 nan 0.000 0.484 631 c N 2.102 120.740 118.600 0.064 0.000 2.432 631 c HA -0.010 4.560 4.570 -0.000 0.000 0.277 631 c C 2.753 176.924 174.090 0.136 0.000 1.249 631 c CA 1.329 57.688 56.329 0.049 0.000 1.725 631 c CB -1.392 41.115 42.510 -0.005 0.000 2.028 631 c HN 0.706 nan 8.230 nan 0.000 0.477 632 E N -0.133 120.180 120.200 0.189 0.000 2.110 632 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 632 E C 2.271 178.995 176.600 0.208 0.000 0.988 632 E CA 1.105 57.680 56.400 0.292 0.000 0.804 632 E CB -0.230 29.589 29.700 0.198 0.000 0.745 632 E HN 0.636 nan 8.360 nan 0.000 0.458 633 R N 0.791 121.368 120.500 0.129 0.000 2.237 633 R HA -0.090 4.250 4.340 -0.000 0.000 0.219 633 R C 1.338 177.667 176.300 0.048 0.000 1.080 633 R CA 0.795 56.931 56.100 0.060 0.000 0.995 633 R CB 0.009 30.340 30.300 0.052 0.000 0.875 633 R HN 0.090 nan 8.270 nan 0.000 0.462 634 D N 0.690 121.201 120.400 0.184 0.000 2.378 634 D HA -0.044 4.595 4.640 -0.000 0.000 0.222 634 D C 1.568 178.020 176.300 0.254 0.000 0.980 634 D CA 0.686 54.861 54.000 0.291 0.000 0.907 634 D CB 0.044 41.054 40.800 0.349 0.000 0.899 634 D HN 0.234 nan 8.370 nan 0.000 0.527 635 A N 1.070 124.032 122.820 0.236 0.000 2.019 635 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 635 A C 2.010 179.708 177.584 0.190 0.000 1.164 635 A CA 1.439 53.652 52.037 0.294 0.000 0.644 635 A CB -0.619 18.469 19.000 0.146 0.000 0.805 635 A HN 0.413 nan 8.150 nan 0.000 0.449 636 Q N -1.922 117.795 119.800 -0.137 0.000 2.482 636 Q HA -0.029 4.310 4.340 -0.000 0.000 0.209 636 Q C 0.434 176.271 176.000 -0.271 0.000 0.961 636 Q CA 0.762 56.432 55.803 -0.222 0.000 0.945 636 Q CB -0.345 28.205 28.738 -0.312 0.000 1.012 636 Q HN 0.696 nan 8.270 nan 0.000 0.515 637 Y N 0.194 120.586 120.300 0.154 0.000 2.458 637 Y HA 0.458 5.008 4.550 -0.000 0.000 0.256 637 Y C 0.936 176.922 175.900 0.143 0.000 1.159 637 Y CA -0.649 57.505 58.100 0.091 0.000 1.261 637 Y CB 0.013 38.455 38.460 -0.030 0.000 1.119 637 Y HN 0.196 nan 8.280 nan 0.000 0.524 638 A N 1.747 124.734 122.820 0.278 0.000 2.407 638 A HA 0.374 4.694 4.320 -0.000 0.000 0.248 638 A C -2.368 175.214 177.584 -0.002 0.000 1.082 638 A CA -1.329 50.808 52.037 0.167 0.000 0.785 638 A CB -0.258 18.854 19.000 0.187 0.000 1.020 638 A HN -0.003 nan 8.150 nan 0.000 0.489 639 P HA 0.331 nan 4.420 nan 0.000 0.268 639 P C 1.012 178.194 177.300 -0.196 0.000 1.204 639 P CA 1.476 64.535 63.100 -0.069 0.000 0.768 639 P CB 0.871 32.547 31.700 -0.040 0.000 0.842 640 G N 2.053 110.803 108.800 -0.083 0.000 2.268 640 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.240 640 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.240 640 G C 0.483 175.464 174.900 0.135 0.000 1.010 640 G CA -0.235 44.837 45.100 -0.047 0.000 0.618 640 G HN 0.445 nan 8.290 nan 0.000 0.516 641 Y N 2.812 123.090 120.300 -0.036 0.000 2.493 641 Y HA 0.178 4.728 4.550 -0.000 0.000 0.275 641 Y C 2.118 177.991 175.900 -0.045 0.000 1.183 641 Y CA -0.258 57.807 58.100 -0.059 0.000 1.258 641 Y CB -0.315 38.103 38.460 -0.069 0.000 1.108 641 Y HN 0.547 nan 8.280 nan 0.000 0.521 642 D N 0.025 120.499 120.400 0.124 0.000 2.263 642 D HA -0.184 4.456 4.640 -0.000 0.000 0.208 642 D C 1.012 177.332 176.300 0.034 0.000 0.971 642 D CA 0.973 55.015 54.000 0.071 0.000 0.867 642 D CB -0.006 40.829 40.800 0.058 0.000 0.929 642 D HN 0.354 nan 8.370 nan 0.000 0.492 643 K N 0.718 121.132 120.400 0.023 0.000 2.379 643 K HA 0.138 4.457 4.320 -0.000 0.000 0.194 643 K C 0.679 177.254 176.600 -0.041 0.000 1.031 643 K CA -0.147 56.134 56.287 -0.010 0.000 1.037 643 K CB 0.772 33.264 32.500 -0.014 0.000 0.824 643 K HN -0.018 nan 8.250 nan 0.000 0.516 644 V N 3.098 122.978 119.914 -0.057 0.000 2.540 644 V HA -0.071 4.048 4.120 -0.000 0.000 0.297 644 V C 1.100 177.138 176.094 -0.093 0.000 1.024 644 V CA 0.717 62.948 62.300 -0.115 0.000 1.105 644 V CB 0.735 32.444 31.823 -0.190 0.000 0.938 644 V HN 0.268 nan 8.190 nan 0.000 0.482 645 K N 2.085 122.429 120.400 -0.093 0.000 2.244 645 K HA 0.136 4.456 4.320 -0.000 0.000 0.200 645 K C 0.431 176.988 176.600 -0.072 0.000 1.052 645 K CA 0.272 56.517 56.287 -0.070 0.000 0.980 645 K CB 0.394 32.858 32.500 -0.060 0.000 0.838 645 K HN 0.652 nan 8.250 nan 0.000 0.481 646 D N 0.705 121.053 120.400 -0.086 0.000 2.549 646 D HA 0.086 4.726 4.640 -0.000 0.000 0.251 646 D C 0.747 176.990 176.300 -0.095 0.000 1.153 646 D CA -0.386 53.568 54.000 -0.075 0.000 0.861 646 D CB 1.569 42.334 40.800 -0.058 0.000 1.207 646 D HN 0.052 nan 8.370 nan 0.000 0.543 647 I N 1.835 122.353 120.570 -0.088 0.000 2.657 647 I HA -0.207 3.963 4.170 -0.000 0.000 0.261 647 I C 1.764 177.837 176.117 -0.073 0.000 1.212 647 I CA 1.396 62.636 61.300 -0.100 0.000 1.453 647 I CB -0.367 37.591 38.000 -0.070 0.000 1.092 647 I HN 0.211 nan 8.210 nan 0.000 0.452 648 S N 0.795 116.472 115.700 -0.039 0.000 2.469 648 S HA -0.166 4.303 4.470 -0.000 0.000 0.238 648 S C 1.640 176.236 174.600 -0.007 0.000 0.998 648 S CA 1.208 59.407 58.200 -0.001 0.000 0.957 648 S CB -0.739 62.466 63.200 0.008 0.000 0.764 648 S HN 0.725 nan 8.310 nan 0.000 0.514 649 E N 0.792 120.945 120.200 -0.080 0.000 2.204 649 E HA -0.055 4.294 4.350 -0.000 0.000 0.194 649 E C 1.965 178.484 176.600 -0.134 0.000 0.989 649 E CA 1.374 57.687 56.400 -0.144 0.000 0.824 649 E CB -0.125 29.448 29.700 -0.211 0.000 0.756 649 E HN 0.742 nan 8.360 nan 0.000 0.477 650 V N -3.340 116.492 119.914 -0.137 0.000 3.539 650 V HA 0.181 4.301 4.120 -0.000 0.000 0.262 650 V C 0.644 176.724 176.094 -0.024 0.000 1.381 650 V CA -0.437 61.782 62.300 -0.135 0.000 1.060 650 V CB 0.705 32.099 31.823 -0.715 0.000 0.842 650 V HN -0.134 nan 8.190 nan 0.000 0.445 651 V N 3.575 123.465 119.914 -0.040 0.000 2.328 651 V HA 0.576 4.695 4.120 -0.000 0.000 0.278 651 V C 0.623 176.838 176.094 0.201 0.000 1.021 651 V CA 0.557 62.838 62.300 -0.031 0.000 0.838 651 V CB 0.767 32.517 31.823 -0.121 0.000 0.999 651 V HN 0.716 nan 8.190 nan 0.000 0.447 652 T N 3.011 117.835 114.554 0.449 0.000 2.893 652 T HA 0.481 4.831 4.350 -0.000 0.000 0.279 652 T C -1.961 172.872 174.700 0.222 0.000 0.991 652 T CA -2.033 60.241 62.100 0.291 0.000 0.950 652 T CB 1.631 70.621 68.868 0.203 0.000 1.223 652 T HN 0.345 nan 8.240 nan 0.000 0.585 653 P HA 0.200 nan 4.420 nan 0.000 0.237 653 P C 1.028 178.304 177.300 -0.040 0.000 1.178 653 P CA 0.315 63.443 63.100 0.047 0.000 0.766 653 P CB 0.019 31.737 31.700 0.029 0.000 0.876 654 R N -1.694 118.675 120.500 -0.217 0.000 2.307 654 R HA 0.115 4.454 4.340 -0.000 0.000 0.199 654 R C 0.219 176.280 176.300 -0.398 0.000 1.000 654 R CA 0.354 56.192 56.100 -0.437 0.000 1.023 654 R CB -0.509 29.273 30.300 -0.864 0.000 0.908 654 R HN 0.167 nan 8.270 nan 0.000 0.473 655 F N 0.030 120.004 119.950 0.041 0.000 2.399 655 F HA 0.381 4.908 4.527 -0.000 0.000 0.334 655 F C 0.298 176.189 175.800 0.152 0.000 1.097 655 F CA -0.895 57.183 58.000 0.129 0.000 1.076 655 F CB 0.916 40.035 39.000 0.198 0.000 1.162 655 F HN -0.243 nan 8.300 nan 0.000 0.495 656 L N 2.679 124.134 121.223 0.386 0.000 2.334 656 L HA 0.569 4.909 4.340 -0.000 0.000 0.272 656 L C -0.775 176.263 176.870 0.280 0.000 1.020 656 L CA -0.766 54.239 54.840 0.274 0.000 0.812 656 L CB 1.900 44.069 42.059 0.182 0.000 1.264 656 L HN 0.625 nan 8.230 nan 0.000 0.439 657 c N 1.754 120.423 118.600 0.115 0.000 2.441 657 c HA 0.837 5.407 4.570 -0.000 0.000 0.318 657 c C 0.312 174.349 174.090 -0.089 0.000 1.222 657 c CA -0.098 56.141 56.329 -0.151 0.000 1.474 657 c CB 0.845 43.240 42.510 -0.190 0.000 2.125 657 c HN 0.950 nan 8.230 nan 0.000 0.479 658 T N 2.285 116.760 114.554 -0.132 0.000 2.742 658 T HA 0.951 5.301 4.350 -0.000 0.000 0.282 658 T C 0.198 174.841 174.700 -0.096 0.000 1.025 658 T CA 0.382 62.467 62.100 -0.025 0.000 1.020 658 T CB 1.017 69.939 68.868 0.091 0.000 1.317 658 T HN 2.548 nan 8.240 nan 0.000 0.538 659 G N -1.376 107.425 108.800 0.002 0.000 2.710 659 G HA2 0.464 4.423 3.960 -0.000 0.000 0.668 659 G HA3 0.464 4.423 3.960 -0.000 0.000 0.668 659 G C 0.401 175.293 174.900 -0.012 0.000 1.320 659 G CA 0.231 45.321 45.100 -0.016 0.000 0.860 659 G HN 2.834 nan 8.290 nan 0.000 0.538 660 G N -2.829 105.964 108.800 -0.012 0.000 2.627 660 G HA2 0.299 4.258 3.960 -0.000 0.000 0.214 660 G HA3 0.299 4.258 3.960 -0.000 0.000 0.214 660 G C 1.012 175.919 174.900 0.012 0.000 1.331 660 G CA 1.681 46.778 45.100 -0.006 0.000 0.891 660 G HN 2.452 nan 8.290 nan 0.000 0.539 661 V N -3.872 116.041 119.914 -0.001 0.000 3.477 661 V HA 0.711 4.830 4.120 -0.000 0.000 0.297 661 V C 0.820 176.883 176.094 -0.052 0.000 1.433 661 V CA 1.383 63.681 62.300 -0.003 0.000 1.052 661 V CB 0.710 32.533 31.823 -0.001 0.000 0.895 661 V HN 1.665 nan 8.190 nan 0.000 0.438 662 S N 1.647 117.300 115.700 -0.078 0.000 2.519 662 S HA 0.695 5.165 4.470 -0.000 0.000 0.309 662 S C -1.848 172.641 174.600 -0.186 0.000 1.100 662 S CA -1.057 57.048 58.200 -0.159 0.000 1.059 662 S CB 2.109 65.237 63.200 -0.120 0.000 1.008 662 S HN 0.287 nan 8.310 nan 0.000 0.478 663 P HA 0.177 nan 4.420 nan 0.000 0.226 663 P C -0.808 175.956 177.300 -0.893 0.000 1.161 663 P CA 0.707 63.391 63.100 -0.694 0.000 0.804 663 P CB 0.121 31.224 31.700 -0.996 0.000 0.829 664 Y N -1.095 119.080 120.300 -0.208 0.000 2.605 664 Y HA 0.642 5.191 4.550 -0.000 0.000 0.343 664 Y C 0.295 176.178 175.900 -0.030 0.000 1.036 664 Y CA -2.131 55.901 58.100 -0.113 0.000 1.065 664 Y CB 0.545 38.926 38.460 -0.131 0.000 1.288 664 Y HN -0.281 nan 8.280 nan 0.000 0.481 665 A N 1.622 124.551 122.820 0.183 0.000 2.438 665 A HA 0.265 4.585 4.320 -0.000 0.000 0.280 665 A C -0.715 176.956 177.584 0.146 0.000 1.160 665 A CA -0.220 51.889 52.037 0.120 0.000 0.821 665 A CB -0.713 18.343 19.000 0.093 0.000 1.101 665 A HN 0.597 nan 8.150 nan 0.000 0.515 666 D N 3.526 124.009 120.400 0.137 0.000 2.255 666 D HA 0.456 5.095 4.640 -0.000 0.000 0.249 666 D C -1.969 174.408 176.300 0.128 0.000 1.078 666 D CA -1.002 53.096 54.000 0.163 0.000 0.896 666 D CB 1.030 41.932 40.800 0.169 0.000 1.194 666 D HN 0.370 nan 8.370 nan 0.000 0.429 667 P HA 0.187 nan 4.420 nan 0.000 0.274 667 P C -0.831 176.603 177.300 0.223 0.000 1.231 667 P CA -0.410 62.783 63.100 0.156 0.000 0.790 667 P CB 0.903 32.684 31.700 0.133 0.000 0.951 668 N N -0.730 118.079 118.700 0.181 0.000 2.430 668 N HA 0.344 5.084 4.740 -0.000 0.000 0.298 668 N C -0.231 175.354 175.510 0.125 0.000 1.130 668 N CA -0.506 52.609 53.050 0.108 0.000 0.894 668 N CB 0.825 39.324 38.487 0.019 0.000 1.209 668 N HN 0.403 nan 8.380 nan 0.000 0.503 669 T N -1.501 112.972 114.554 -0.135 0.000 2.926 669 T HA 0.269 4.619 4.350 -0.000 0.000 0.307 669 T C 0.256 174.923 174.700 -0.056 0.000 1.059 669 T CA -0.533 61.413 62.100 -0.258 0.000 1.122 669 T CB 0.021 68.602 68.868 -0.478 0.000 0.972 669 T HN 0.336 nan 8.240 nan 0.000 0.545 670 c N 2.520 121.130 118.600 0.016 0.000 2.362 670 c HA 0.438 5.008 4.570 -0.000 0.000 0.363 670 c C 2.383 176.487 174.090 0.023 0.000 1.220 670 c CA -0.912 55.438 56.329 0.036 0.000 2.379 670 c CB 0.804 43.357 42.510 0.072 0.000 2.351 670 c HN 1.049 nan 8.230 nan 0.000 0.582 671 R N 1.035 121.556 120.500 0.034 0.000 2.103 671 R HA -0.120 4.219 4.340 -0.000 0.000 0.242 671 R C 2.216 178.552 176.300 0.059 0.000 1.142 671 R CA 1.828 57.956 56.100 0.047 0.000 0.960 671 R CB -0.744 29.587 30.300 0.051 0.000 0.858 671 R HN 0.982 nan 8.270 nan 0.000 0.439 672 G N 1.294 110.129 108.800 0.059 0.000 2.475 672 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.220 672 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.220 672 G C 0.732 175.675 174.900 0.072 0.000 1.125 672 G CA 1.110 46.249 45.100 0.065 0.000 0.755 672 G HN 0.293 nan 8.290 nan 0.000 0.565 673 D N 0.121 120.562 120.400 0.069 0.000 2.347 673 D HA 0.068 4.708 4.640 -0.000 0.000 0.213 673 D C 1.361 177.694 176.300 0.054 0.000 0.985 673 D CA 0.113 54.159 54.000 0.076 0.000 0.879 673 D CB -0.002 40.838 40.800 0.066 0.000 0.919 673 D HN 0.174 nan 8.370 nan 0.000 0.526 674 S N -0.638 115.095 115.700 0.056 0.000 2.558 674 S HA 0.265 4.735 4.470 -0.000 0.000 0.293 674 S C 1.516 176.154 174.600 0.063 0.000 1.292 674 S CA 0.980 59.235 58.200 0.091 0.000 1.063 674 S CB 0.346 63.663 63.200 0.194 0.000 0.831 674 S HN 0.496 nan 8.310 nan 0.000 0.499 675 G N 3.080 111.926 108.800 0.077 0.000 2.241 675 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.244 675 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.244 675 G C 0.558 175.520 174.900 0.102 0.000 0.998 675 G CA 0.171 45.299 45.100 0.046 0.000 0.621 675 G HN 1.240 nan 8.290 nan 0.000 0.519 676 G N 0.608 109.479 108.800 0.119 0.000 2.651 676 G HA2 0.547 4.507 3.960 -0.000 0.000 0.260 676 G HA3 0.547 4.507 3.960 -0.000 0.000 0.260 676 G C -2.212 172.790 174.900 0.170 0.000 1.216 676 G CA -0.330 44.866 45.100 0.161 0.000 0.913 676 G HN 0.296 nan 8.290 nan 0.000 0.535 677 P HA 0.247 nan 4.420 nan 0.000 0.280 677 P C -0.621 176.756 177.300 0.129 0.000 1.244 677 P CA -0.555 62.623 63.100 0.131 0.000 0.784 677 P CB 1.350 33.103 31.700 0.089 0.000 0.913 678 L N 5.042 126.301 121.223 0.059 0.000 2.264 678 L HA 0.481 4.821 4.340 -0.000 0.000 0.289 678 L C -0.839 176.020 176.870 -0.017 0.000 1.044 678 L CA -0.189 54.645 54.840 -0.009 0.000 0.807 678 L CB 0.018 41.950 42.059 -0.212 0.000 1.192 678 L HN 0.247 nan 8.230 nan 0.000 0.425 679 I N 5.177 125.749 120.570 0.004 0.000 2.530 679 I HA 0.447 4.617 4.170 -0.000 0.000 0.297 679 I C -0.759 175.357 176.117 -0.002 0.000 1.011 679 I CA -0.982 60.308 61.300 -0.018 0.000 1.107 679 I CB 2.148 40.139 38.000 -0.015 0.000 1.285 679 I HN 0.214 nan 8.210 nan 0.000 0.436 680 V N 4.802 124.705 119.914 -0.019 0.000 2.398 680 V HA 0.213 4.332 4.120 -0.000 0.000 0.286 680 V C -0.150 175.913 176.094 -0.051 0.000 1.026 680 V CA -0.493 61.789 62.300 -0.030 0.000 0.868 680 V CB 1.298 33.101 31.823 -0.034 0.000 0.982 680 V HN 0.648 nan 8.190 nan 0.000 0.443 681 H N 6.145 125.087 119.070 -0.213 0.000 2.640 681 H HA 0.519 5.075 4.556 -0.000 0.000 0.297 681 H C -0.446 174.693 175.328 -0.316 0.000 1.073 681 H CA -0.460 55.334 56.048 -0.423 0.000 1.305 681 H CB 0.708 30.197 29.762 -0.455 0.000 1.404 681 H HN 0.613 nan 8.280 nan 0.000 0.459 682 K N 4.048 124.160 120.400 -0.480 0.000 2.501 682 K HA 0.183 4.502 4.320 -0.000 0.000 0.252 682 K C -0.127 176.260 176.600 -0.354 0.000 0.934 682 K CA -0.798 55.257 56.287 -0.386 0.000 0.797 682 K CB 1.014 33.385 32.500 -0.216 0.000 1.270 682 K HN 0.620 nan 8.250 nan 0.000 0.431 683 R N 1.881 122.203 120.500 -0.298 0.000 3.502 683 R HA -0.203 4.137 4.340 -0.000 0.000 0.266 683 R C -0.462 175.721 176.300 -0.196 0.000 1.077 683 R CA 1.167 57.141 56.100 -0.212 0.000 0.718 683 R CB -3.003 27.147 30.300 -0.250 0.000 1.120 683 R HN 0.930 nan 8.270 nan 0.000 0.457 684 S N -2.408 113.106 115.700 -0.311 0.000 3.171 684 S HA -0.165 4.305 4.470 -0.000 0.000 0.279 684 S C 0.184 174.748 174.600 -0.060 0.000 1.294 684 S CA 1.512 59.626 58.200 -0.143 0.000 1.077 684 S CB -0.293 62.915 63.200 0.014 0.000 1.298 684 S HN 0.480 nan 8.310 nan 0.000 0.666 685 R N -0.691 119.688 120.500 -0.203 0.000 2.854 685 R HA 0.668 5.008 4.340 -0.000 0.000 0.271 685 R C -0.986 175.161 176.300 -0.255 0.000 0.996 685 R CA -0.470 55.574 56.100 -0.093 0.000 0.961 685 R CB 0.710 30.971 30.300 -0.065 0.000 1.182 685 R HN 0.176 nan 8.270 nan 0.000 0.479 686 F N 1.510 121.454 119.950 -0.010 0.000 2.402 686 F HA 0.471 4.998 4.527 -0.000 0.000 0.355 686 F C 0.172 175.824 175.800 -0.247 0.000 1.123 686 F CA -0.712 57.185 58.000 -0.171 0.000 1.021 686 F CB 1.050 39.773 39.000 -0.461 0.000 1.160 686 F HN 0.159 nan 8.300 nan 0.000 0.451 687 I N 2.704 123.228 120.570 -0.076 0.000 2.410 687 I HA 0.213 4.383 4.170 -0.000 0.000 0.286 687 I C -0.238 175.819 176.117 -0.099 0.000 1.009 687 I CA -0.565 60.678 61.300 -0.095 0.000 1.111 687 I CB 1.755 39.715 38.000 -0.066 0.000 1.262 687 I HN 0.538 nan 8.210 nan 0.000 0.443 688 Q N 5.039 124.762 119.800 -0.128 0.000 2.297 688 Q HA 0.256 4.596 4.340 -0.000 0.000 0.267 688 Q C 0.435 176.410 176.000 -0.042 0.000 1.006 688 Q CA -0.160 55.585 55.803 -0.097 0.000 0.896 688 Q CB 1.176 29.856 28.738 -0.097 0.000 1.186 688 Q HN 0.719 nan 8.270 nan 0.000 0.392 689 V N 0.645 120.560 119.914 0.000 0.000 3.572 689 V HA 0.560 4.680 4.120 -0.000 0.000 0.260 689 V C 0.476 176.616 176.094 0.076 0.000 1.324 689 V CA 0.521 62.860 62.300 0.065 0.000 1.068 689 V CB 0.550 32.447 31.823 0.123 0.000 0.837 689 V HN 0.646 nan 8.190 nan 0.000 0.450 690 G N -0.472 108.356 108.800 0.046 0.000 2.690 690 G HA2 0.608 4.568 3.960 -0.000 0.000 0.291 690 G HA3 0.608 4.568 3.960 -0.000 0.000 0.291 690 G C -1.851 173.112 174.900 0.104 0.000 1.403 690 G CA -0.540 44.609 45.100 0.081 0.000 0.864 690 G HN 0.127 nan 8.290 nan 0.000 0.480 691 V N 1.204 121.211 119.914 0.155 0.000 2.459 691 V HA 0.364 4.484 4.120 -0.000 0.000 0.295 691 V C 0.321 176.562 176.094 0.245 0.000 1.029 691 V CA -0.615 61.790 62.300 0.174 0.000 0.874 691 V CB 1.471 33.385 31.823 0.151 0.000 0.985 691 V HN 0.624 nan 8.190 nan 0.000 0.438 692 I N 3.614 124.331 120.570 0.245 0.000 2.668 692 I HA 0.036 4.206 4.170 -0.000 0.000 0.285 692 I C 1.230 177.431 176.117 0.140 0.000 1.168 692 I CA 0.844 62.270 61.300 0.211 0.000 1.424 692 I CB 0.985 39.046 38.000 0.102 0.000 1.377 692 I HN 0.794 nan 8.210 nan 0.000 0.560 693 S N 7.467 123.200 115.700 0.054 0.000 3.066 693 S HA 0.282 4.752 4.470 -0.000 0.000 0.235 693 S C -0.498 174.113 174.600 0.019 0.000 0.995 693 S CA -0.265 58.062 58.200 0.211 0.000 0.835 693 S CB 0.533 63.987 63.200 0.423 0.000 0.814 693 S HN 0.714 nan 8.310 nan 0.000 0.594 694 W N 0.257 121.343 121.300 -0.357 0.000 3.066 694 W HA 0.690 5.350 4.660 -0.000 0.000 0.330 694 W C -0.704 175.675 176.519 -0.234 0.000 1.253 694 W CA -0.888 56.167 57.345 -0.483 0.000 1.187 694 W CB 0.397 29.243 29.460 -1.024 0.000 1.434 694 W HN 0.389 nan 8.180 nan 0.000 0.572 695 G N 0.086 108.879 108.800 -0.011 0.000 2.574 695 G HA2 0.493 4.453 3.960 -0.000 0.000 0.299 695 G HA3 0.493 4.453 3.960 -0.000 0.000 0.299 695 G C -0.511 174.476 174.900 0.144 0.000 1.298 695 G CA -0.646 44.396 45.100 -0.095 0.000 0.952 695 G HN 0.379 nan 8.290 nan 0.000 0.477 696 V N -0.016 119.961 119.914 0.105 0.000 2.407 696 V HA 0.045 4.164 4.120 -0.000 0.000 0.245 696 V C 0.834 177.031 176.094 0.171 0.000 1.041 696 V CA 0.966 63.411 62.300 0.243 0.000 1.040 696 V CB -0.037 31.953 31.823 0.279 0.000 0.671 696 V HN 0.375 nan 8.190 nan 0.000 0.455 697 V N 0.568 120.529 119.914 0.078 0.000 2.540 697 V HA 0.383 4.502 4.120 -0.000 0.000 0.302 697 V C -0.885 175.220 176.094 0.019 0.000 1.035 697 V CA -0.844 61.485 62.300 0.047 0.000 0.873 697 V CB 1.848 33.654 31.823 -0.029 0.000 0.992 697 V HN 0.335 nan 8.190 nan 0.000 0.428 698 D N 3.268 123.685 120.400 0.028 0.000 2.402 698 D HA 0.149 4.789 4.640 -0.000 0.000 0.235 698 D C 0.056 176.365 176.300 0.015 0.000 1.226 698 D CA 0.230 54.242 54.000 0.020 0.000 0.918 698 D CB 1.454 42.270 40.800 0.027 0.000 1.043 698 D HN 0.296 nan 8.370 nan 0.000 0.506 699 V N 4.449 124.368 119.914 0.008 0.000 3.039 699 V HA 0.278 4.398 4.120 -0.000 0.000 0.369 699 V C -0.534 175.573 176.094 0.021 0.000 1.344 699 V CA -0.128 62.178 62.300 0.009 0.000 1.270 699 V CB -0.659 31.161 31.823 -0.004 0.000 1.284 699 V HN 0.680 nan 8.190 nan 0.000 0.518 708 Q N 1.907 121.717 119.800 0.017 0.000 2.417 708 Q HA -0.157 4.183 4.340 -0.000 0.000 0.368 708 Q C -0.920 175.080 176.000 -0.000 0.000 1.359 708 Q CA 0.274 56.084 55.803 0.011 0.000 1.122 708 Q CB -1.247 27.499 28.738 0.013 0.000 1.295 708 Q HN 0.185 nan 8.270 nan 0.000 0.337 709 V N 2.140 122.050 119.914 -0.006 0.000 2.614 709 V HA 0.198 4.318 4.120 -0.000 0.000 0.291 709 V C -1.255 174.803 176.094 -0.060 0.000 1.049 709 V CA -1.133 61.148 62.300 -0.032 0.000 1.038 709 V CB 0.649 32.458 31.823 -0.023 0.000 0.980 709 V HN 0.398 nan 8.190 nan 0.000 0.481 710 P HA 0.273 nan 4.420 nan 0.000 0.272 710 P C 0.536 177.723 177.300 -0.188 0.000 1.223 710 P CA -0.337 62.661 63.100 -0.169 0.000 0.784 710 P CB 0.780 32.270 31.700 -0.351 0.000 0.923 711 A N 1.545 124.324 122.820 -0.068 0.000 2.015 711 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 711 A C 1.572 179.165 177.584 0.015 0.000 1.163 711 A CA 1.643 53.675 52.037 -0.009 0.000 0.646 711 A CB -1.564 17.460 19.000 0.039 0.000 0.806 711 A HN 0.846 nan 8.150 nan 0.000 0.448 712 H N -2.084 116.995 119.070 0.015 0.000 2.543 712 H HA 0.584 5.139 4.556 -0.000 0.000 0.269 712 H C 0.752 176.121 175.328 0.069 0.000 1.005 712 H CA 0.249 56.337 56.048 0.067 0.000 1.146 712 H CB -0.360 29.454 29.762 0.085 0.000 1.353 712 H HN 0.289 nan 8.280 nan 0.000 0.595 713 A N 2.514 125.207 122.820 -0.212 0.000 2.906 713 A HA 0.176 4.496 4.320 -0.000 0.000 0.289 713 A C 0.020 177.539 177.584 -0.109 0.000 1.675 713 A CA -0.673 51.271 52.037 -0.154 0.000 1.372 713 A CB -0.391 18.506 19.000 -0.172 0.000 1.091 713 A HN 0.297 nan 8.150 nan 0.000 0.579 714 R N 1.345 121.770 120.500 -0.124 0.000 2.573 714 R HA 0.523 4.863 4.340 -0.000 0.000 0.272 714 R C -1.152 174.860 176.300 -0.480 0.000 1.009 714 R CA -0.667 55.246 56.100 -0.312 0.000 1.059 714 R CB 0.783 30.820 30.300 -0.438 0.000 1.112 714 R HN 0.498 nan 8.270 nan 0.000 0.517 715 D N 0.931 120.950 120.400 -0.636 0.000 2.481 715 D HA 0.398 5.037 4.640 -0.000 0.000 0.244 715 D C -0.699 174.906 176.300 -1.159 0.000 1.057 715 D CA -0.253 53.298 54.000 -0.748 0.000 0.848 715 D CB 1.535 42.043 40.800 -0.486 0.000 1.388 715 D HN 0.149 nan 8.370 nan 0.000 0.475 716 F N 1.301 120.627 119.950 -1.041 0.000 2.480 716 F HA 0.366 4.893 4.527 -0.000 0.000 0.329 716 F C 0.721 176.094 175.800 -0.711 0.000 1.091 716 F CA -0.542 56.926 58.000 -0.886 0.000 0.972 716 F CB 1.568 39.728 39.000 -1.400 0.000 1.150 716 F HN 0.121 nan 8.300 nan 0.000 0.467 717 H N 3.266 122.484 119.070 0.247 0.000 2.806 717 H HA 0.386 4.941 4.556 -0.000 0.000 0.367 717 H C -0.724 174.751 175.328 0.244 0.000 1.136 717 H CA -0.870 55.300 56.048 0.204 0.000 1.178 717 H CB 2.401 32.209 29.762 0.077 0.000 1.718 717 H HN 0.284 nan 8.280 nan 0.000 0.540 718 I N 2.497 123.194 120.570 0.211 0.000 2.533 718 I HA -0.088 4.082 4.170 -0.000 0.000 0.284 718 I C 0.934 177.073 176.117 0.037 0.000 1.109 718 I CA -0.103 61.172 61.300 -0.041 0.000 1.412 718 I CB -0.207 37.741 38.000 -0.087 0.000 1.396 718 I HN 0.464 nan 8.210 nan 0.000 0.543 719 N N 6.828 125.527 118.700 -0.002 0.000 2.420 719 N HA 0.100 4.840 4.740 -0.000 0.000 0.262 719 N C 0.856 176.420 175.510 0.089 0.000 1.144 719 N CA -0.016 53.085 53.050 0.085 0.000 0.952 719 N CB 0.874 39.416 38.487 0.092 0.000 1.081 719 N HN 0.507 nan 8.380 nan 0.000 0.480 720 L N 2.895 124.183 121.223 0.108 0.000 2.201 720 L HA -0.091 4.249 4.340 -0.000 0.000 0.212 720 L C 1.348 178.238 176.870 0.033 0.000 1.105 720 L CA 0.775 55.650 54.840 0.058 0.000 0.775 720 L CB -0.326 41.730 42.059 -0.005 0.000 0.913 720 L HN 0.489 nan 8.230 nan 0.000 0.440 721 F N 0.012 119.999 119.950 0.061 0.000 2.408 721 F HA -0.186 4.341 4.527 -0.000 0.000 0.300 721 F C 2.456 178.291 175.800 0.058 0.000 1.090 721 F CA 0.981 59.017 58.000 0.060 0.000 1.427 721 F CB -0.110 38.915 39.000 0.041 0.000 1.070 721 F HN 0.146 nan 8.300 nan 0.000 0.549 722 Q N -0.415 119.497 119.800 0.188 0.000 2.319 722 Q HA 0.121 4.461 4.340 -0.000 0.000 0.202 722 Q C 1.284 177.358 176.000 0.123 0.000 0.896 722 Q CA 0.579 56.447 55.803 0.107 0.000 0.942 722 Q CB 0.742 29.475 28.738 -0.008 0.000 1.083 722 Q HN 0.402 nan 8.270 nan 0.000 0.510 723 V N -3.489 116.526 119.914 0.169 0.000 3.111 723 V HA 0.226 4.345 4.120 -0.000 0.000 0.343 723 V C 1.366 177.641 176.094 0.302 0.000 1.417 723 V CA -0.039 62.444 62.300 0.305 0.000 1.142 723 V CB -0.587 31.432 31.823 0.328 0.000 1.114 723 V HN 0.038 nan 8.190 nan 0.000 0.520 724 L N 0.409 121.735 121.223 0.172 0.000 2.042 724 L HA -0.016 4.324 4.340 -0.000 0.000 0.210 724 L C -0.060 176.807 176.870 -0.005 0.000 1.076 724 L CA 2.171 57.050 54.840 0.066 0.000 0.749 724 L CB -1.328 40.766 42.059 0.057 0.000 0.893 724 L HN 0.401 nan 8.230 nan 0.000 0.432 725 P HA -0.210 nan 4.420 nan 0.000 0.217 725 P C 1.132 178.430 177.300 -0.004 0.000 1.150 725 P CA 1.205 64.311 63.100 0.010 0.000 0.832 725 P CB -0.107 31.636 31.700 0.071 0.000 0.787 726 W N 0.512 121.753 121.300 -0.097 0.000 2.378 726 W HA -0.127 4.533 4.660 -0.000 0.000 0.313 726 W C 1.975 178.370 176.519 -0.207 0.000 1.197 726 W CA 1.332 58.571 57.345 -0.176 0.000 1.304 726 W CB -1.062 28.267 29.460 -0.219 0.000 1.148 726 W HN -0.245 nan 8.180 nan 0.000 0.494 727 L N 0.872 121.980 121.223 -0.191 0.000 1.971 727 L HA -0.316 4.023 4.340 -0.000 0.000 0.215 727 L C 2.597 178.975 176.870 -0.821 0.000 1.072 727 L CA 2.224 56.753 54.840 -0.518 0.000 0.758 727 L CB -1.120 40.820 42.059 -0.200 0.000 0.889 727 L HN -0.027 nan 8.230 nan 0.000 0.433 728 K N -0.379 119.467 120.400 -0.924 0.000 2.044 728 K HA -0.273 4.047 4.320 -0.000 0.000 0.210 728 K C 2.073 178.265 176.600 -0.679 0.000 1.049 728 K CA 1.873 57.449 56.287 -1.186 0.000 0.927 728 K CB -0.210 31.875 32.500 -0.692 0.000 0.713 728 K HN 0.341 nan 8.250 nan 0.000 0.443 729 E N 0.815 120.728 120.200 -0.479 0.000 2.028 729 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 729 E C 1.719 178.079 176.600 -0.399 0.000 0.988 729 E CA 1.108 57.301 56.400 -0.346 0.000 0.799 729 E CB 0.257 29.810 29.700 -0.246 0.000 0.755 729 E HN 0.057 nan 8.360 nan 0.000 0.447 730 K N 0.174 120.219 120.400 -0.592 0.000 2.217 730 K HA -0.035 4.285 4.320 -0.000 0.000 0.202 730 K C 1.792 178.006 176.600 -0.643 0.000 1.051 730 K CA 0.684 56.587 56.287 -0.639 0.000 0.952 730 K CB 0.011 31.911 32.500 -0.999 0.000 0.736 730 K HN 0.276 nan 8.250 nan 0.000 0.453 731 L N 1.763 122.620 121.223 -0.610 0.000 2.818 731 L HA 0.122 4.461 4.340 -0.000 0.000 0.243 731 L C 2.042 178.823 176.870 -0.149 0.000 1.185 731 L CA -0.196 54.374 54.840 -0.451 0.000 0.988 731 L CB -0.039 41.833 42.059 -0.312 0.000 1.292 731 L HN 0.125 nan 8.230 nan 0.000 0.519 732 Q N -0.101 119.589 119.800 -0.183 0.000 2.197 732 Q HA -0.224 4.115 4.340 -0.000 0.000 0.207 732 Q C 0.293 176.295 176.000 0.002 0.000 0.984 732 Q CA 1.774 57.533 55.803 -0.073 0.000 0.869 732 Q CB -0.153 28.522 28.738 -0.105 0.000 0.906 732 Q HN 0.438 nan 8.270 nan 0.000 0.426 733 D N 0.312 120.711 120.400 -0.001 0.000 2.388 733 D HA 0.042 4.681 4.640 -0.000 0.000 0.221 733 D C 0.418 176.768 176.300 0.082 0.000 1.133 733 D CA 0.073 54.094 54.000 0.035 0.000 0.831 733 D CB 0.458 41.270 40.800 0.021 0.000 0.962 733 D HN 0.276 nan 8.370 nan 0.000 0.502 734 E N 0.634 120.893 120.200 0.099 0.000 2.465 734 E HA 0.002 4.352 4.350 -0.000 0.000 0.191 734 E C -0.273 176.390 176.600 0.105 0.000 1.053 734 E CA -0.012 56.474 56.400 0.144 0.000 0.869 734 E CB 0.238 30.039 29.700 0.168 0.000 0.977 734 E HN 0.054 nan 8.360 nan 0.000 0.483 735 D N -0.397 120.047 120.400 0.074 0.000 2.870 735 D HA -0.200 4.440 4.640 -0.000 0.000 0.228 735 D C 0.672 176.976 176.300 0.005 0.000 1.147 735 D CA 0.389 54.415 54.000 0.043 0.000 0.757 735 D CB -1.447 39.382 40.800 0.049 0.000 1.091 735 D HN 0.276 nan 8.370 nan 0.000 0.429 736 L N -0.967 120.242 121.223 -0.024 0.000 2.477 736 L HA 0.215 4.555 4.340 -0.000 0.000 0.220 736 L C 1.625 178.326 176.870 -0.281 0.000 1.106 736 L CA 0.604 55.338 54.840 -0.177 0.000 0.851 736 L CB -0.023 41.859 42.059 -0.294 0.000 0.994 736 L HN 0.367 nan 8.230 nan 0.000 0.462 737 G N 1.125 109.839 108.800 -0.143 0.000 2.385 737 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.294 737 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.294 737 G C -0.135 174.671 174.900 -0.156 0.000 1.070 737 G CA -0.363 44.677 45.100 -0.100 0.000 1.172 737 G HN 0.065 nan 8.290 nan 0.000 0.516 738 F N -0.752 119.172 119.950 -0.043 0.000 2.496 738 F HA 0.419 4.946 4.527 -0.000 0.000 0.344 738 F C 2.094 177.876 175.800 -0.029 0.000 1.155 738 F CA -0.250 57.722 58.000 -0.046 0.000 1.302 738 F CB 0.529 39.492 39.000 -0.061 0.000 1.159 738 F HN 0.104 nan 8.300 nan 0.000 0.595 739 L N 1.198 122.527 121.223 0.177 0.000 2.056 739 L HA 0.122 4.462 4.340 -0.000 0.000 0.202 739 L C 1.568 178.491 176.870 0.087 0.000 1.086 739 L CA 0.602 55.500 54.840 0.097 0.000 0.758 739 L CB -0.875 41.230 42.059 0.076 0.000 0.912 739 L HN 0.709 nan 8.230 nan 0.000 0.446 740 A N 0.000 122.874 122.820 0.090 0.000 2.254 740 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 740 A CA 0.000 52.071 52.037 0.057 0.000 0.836 740 A CB 0.000 19.032 19.000 0.054 0.000 0.831 740 A HN 0.000 nan 8.150 nan 0.000 0.486