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 1rle_1_A DATA FIRST_RESID 1 DATA SEQUENCE AALGVQSINW QTAFNRQAHH TDKFSSQELI LRRGQNFQVL MIMNKGLGSN DATA SEQUENCE ERLEFIVSTG PYPSESAMTK AVFPLSNGSS GGWSAVLQAS NGNTLTISIS DATA SEQUENCE SPASAPIGRY TMALQIFSQG GISSVKLGTF ILLFNPWLNV DSVFMGNHAE DATA SEQUENCE REEYVQEDAG IIFVGSTNRI GMIGWNFGQF EEDILSICLS ILDRSLNFRR DATA SEQUENCE DAATDVASRN DPKYVGRVLS AMINSNDDNG VLAGNWSGTY TGGRDPRSWD DATA SEQUENCE GSVEILKNWK KSGLSPVRYG QCWVFAGTLN TALRSLGIPS RVITNFNSAH DATA SEQUENCE DTDRNLSVDV YYDPMGNPLD KGSDSVWNFH VWNEGWFVRS DLGPSYGGWQ DATA SEQUENCE VLDATPQERS QGVFQCGPAS VIGVREGDVQ LNFDMPFIFA EVNADRITWL DATA SEQUENCE YDNTTGKQWK NSVNSHTIGR YISTKAVGSN ARMDVTDKYK YPEGSDQERQ DATA SEQUENCE VFQKALGKLK PXXXXXXXXX XXXXXXXXEP SIIGKLKVAG MLAVGKEVNL DATA SEQUENCE VLLLKNLSRD TKTVTVNMTA WTIIYNGTLV HEVWKDSATM SLDPEEEAEH DATA SEQUENCE PIKISYAQYE RYLKSDNMIR ITAVCKVPDE SEVVVERDII LDNPTLTLEV DATA SEQUENCE LNEARVRKPV NVQMLFSNPL DEPVRDCVLM VEGSGLLLGN LKIDVPTLGP DATA SEQUENCE KERSRVRFDI LPSRSGTKQL LADFSCNKFP AIKAMLSIDV AE 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.576 177.584 -0.014 0.000 1.274 1 A CA 0.000 52.030 52.037 -0.012 0.000 0.836 1 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 2 A N 1.163 123.972 122.820 -0.017 0.000 2.407 2 A HA 0.567 4.882 4.320 -0.009 0.000 0.248 2 A C 0.307 177.876 177.584 -0.024 0.000 1.082 2 A CA -0.200 51.825 52.037 -0.020 0.000 0.785 2 A CB 0.084 19.068 19.000 -0.027 0.000 1.020 2 A HN 2.055 nan 8.150 nan 0.000 0.489 3 L N 2.075 123.284 121.223 -0.023 0.000 2.559 3 L HA 0.474 4.809 4.340 -0.009 0.000 0.274 3 L C 0.565 177.410 176.870 -0.042 0.000 1.205 3 L CA 1.537 56.361 54.840 -0.027 0.000 0.907 3 L CB 0.037 42.084 42.059 -0.020 0.000 1.153 3 L HN 0.848 nan 8.230 nan 0.000 0.490 4 G N 3.774 112.549 108.800 -0.043 0.000 2.692 4 G HA2 0.561 4.516 3.960 -0.009 0.000 0.291 4 G HA3 0.561 4.516 3.960 -0.009 0.000 0.291 4 G C -1.750 173.120 174.900 -0.050 0.000 1.423 4 G CA -0.694 44.376 45.100 -0.051 0.000 0.843 4 G HN 0.489 nan 8.290 nan 0.000 0.486 5 V N 1.111 120.991 119.914 -0.056 0.000 2.465 5 V HA 0.231 4.346 4.120 -0.009 0.000 0.279 5 V C 0.887 176.958 176.094 -0.038 0.000 1.045 5 V CA -0.153 62.115 62.300 -0.054 0.000 0.938 5 V CB 1.352 33.136 31.823 -0.066 0.000 0.986 5 V HN 0.881 nan 8.190 nan 0.000 0.467 6 Q N 2.443 122.222 119.800 -0.035 0.000 2.297 6 Q HA 0.165 4.500 4.340 -0.009 0.000 0.203 6 Q C 0.542 176.529 176.000 -0.020 0.000 0.931 6 Q CA 0.872 56.661 55.803 -0.024 0.000 0.885 6 Q CB 0.908 29.633 28.738 -0.022 0.000 0.991 6 Q HN 0.915 nan 8.270 nan 0.000 0.498 7 S N -0.892 114.788 115.700 -0.034 0.000 2.595 7 S HA 0.542 5.007 4.470 -0.009 0.000 0.270 7 S C -1.423 173.128 174.600 -0.082 0.000 1.145 7 S CA -0.989 57.191 58.200 -0.034 0.000 0.825 7 S CB 1.332 64.520 63.200 -0.021 0.000 1.107 7 S HN 0.211 nan 8.310 nan 0.000 0.461 8 I N 1.712 122.212 120.570 -0.116 0.000 2.533 8 I HA 0.536 4.701 4.170 -0.009 0.000 0.290 8 I C -1.530 174.410 176.117 -0.295 0.000 1.056 8 I CA -0.571 60.560 61.300 -0.282 0.000 1.057 8 I CB 1.861 39.561 38.000 -0.499 0.000 1.240 8 I HN 0.826 nan 8.210 nan 0.000 0.423 9 N N 6.605 125.141 118.700 -0.273 0.000 2.501 9 N HA 0.188 4.923 4.740 -0.009 0.000 0.245 9 N C -0.237 175.185 175.510 -0.146 0.000 0.974 9 N CA -0.371 52.602 53.050 -0.128 0.000 0.941 9 N CB 0.643 39.091 38.487 -0.065 0.000 1.122 9 N HN 0.649 nan 8.380 nan 0.000 0.507 10 W N 1.868 123.208 121.300 0.065 0.000 2.825 10 W HA 0.103 4.759 4.660 -0.007 0.000 0.243 10 W C 0.726 177.297 176.519 0.087 0.000 1.293 10 W CA -0.165 57.231 57.345 0.085 0.000 1.403 10 W CB -0.108 29.401 29.460 0.081 0.000 1.134 10 W HN 0.508 nan 8.180 nan 0.000 0.666 11 Q N -0.241 119.700 119.800 0.234 0.000 2.439 11 Q HA -0.260 4.074 4.340 -0.009 0.000 0.325 11 Q C 0.969 177.119 176.000 0.251 0.000 1.372 11 Q CA 0.802 56.719 55.803 0.189 0.000 0.909 11 Q CB -2.009 26.794 28.738 0.108 0.000 1.167 11 Q HN 0.270 nan 8.270 nan 0.000 0.418 12 T N -0.456 114.229 114.554 0.219 0.000 2.665 12 T HA -0.251 4.094 4.350 -0.009 0.000 0.268 12 T C 1.852 176.619 174.700 0.113 0.000 1.035 12 T CA 1.659 63.847 62.100 0.147 0.000 1.151 12 T CB -0.149 68.785 68.868 0.111 0.000 0.862 12 T HN 0.679 nan 8.240 nan 0.000 0.438 13 A N 1.204 124.098 122.820 0.124 0.000 1.865 13 A HA -0.070 4.245 4.320 -0.009 0.000 0.217 13 A C 2.055 179.704 177.584 0.108 0.000 1.191 13 A CA 1.794 53.889 52.037 0.098 0.000 0.623 13 A CB -1.120 17.940 19.000 0.100 0.000 0.826 13 A HN 0.499 nan 8.150 nan 0.000 0.444 14 F N 1.438 121.401 119.950 0.022 0.000 2.069 14 F HA -0.239 4.283 4.527 -0.007 0.000 0.298 14 F C 2.154 177.962 175.800 0.014 0.000 1.113 14 F CA 2.282 60.293 58.000 0.018 0.000 1.214 14 F CB -0.307 38.711 39.000 0.030 0.000 0.978 14 F HN 0.210 nan 8.300 nan 0.000 0.474 15 N N 0.650 119.454 118.700 0.173 0.000 2.120 15 N HA -0.151 4.584 4.740 -0.009 0.000 0.188 15 N C 1.971 177.398 175.510 -0.139 0.000 1.024 15 N CA 1.488 54.544 53.050 0.009 0.000 0.852 15 N CB -0.458 38.085 38.487 0.093 0.000 1.003 15 N HN 0.403 nan 8.380 nan 0.000 0.424 16 R N 0.584 121.022 120.500 -0.103 0.000 2.115 16 R HA -0.101 4.234 4.340 -0.009 0.000 0.230 16 R C 2.136 178.354 176.300 -0.138 0.000 1.111 16 R CA 0.881 56.923 56.100 -0.096 0.000 0.976 16 R CB -0.116 30.167 30.300 -0.028 0.000 0.870 16 R HN 0.200 nan 8.270 nan 0.000 0.445 17 Q N 0.805 120.498 119.800 -0.178 0.000 2.050 17 Q HA -0.086 4.249 4.340 -0.009 0.000 0.202 17 Q C 1.914 177.670 176.000 -0.407 0.000 0.980 17 Q CA 2.066 57.729 55.803 -0.234 0.000 0.840 17 Q CB -0.219 28.396 28.738 -0.205 0.000 0.898 17 Q HN 0.315 nan 8.270 nan 0.000 0.424 18 A N -0.538 122.014 122.820 -0.447 0.000 1.969 18 A HA -0.162 4.153 4.320 -0.009 0.000 0.218 18 A C 1.618 178.812 177.584 -0.651 0.000 1.169 18 A CA 1.471 53.201 52.037 -0.511 0.000 0.635 18 A CB -0.761 17.984 19.000 -0.425 0.000 0.810 18 A HN 0.607 nan 8.150 nan 0.000 0.445 19 H N -1.644 117.086 119.070 -0.566 0.000 2.539 19 H HA 0.035 4.586 4.556 -0.010 0.000 0.267 19 H C -0.390 174.613 175.328 -0.541 0.000 0.982 19 H CA 0.396 56.166 56.048 -0.463 0.000 1.146 19 H CB 0.058 29.690 29.762 -0.217 0.000 1.382 19 H HN 0.670 nan 8.280 nan 0.000 0.577 20 H N 0.181 119.060 119.070 -0.318 0.000 2.770 20 H HA -0.115 4.437 4.556 -0.008 0.000 0.309 20 H C 0.689 175.942 175.328 -0.125 0.000 1.206 20 H CA 1.143 56.951 56.048 -0.401 0.000 1.147 20 H CB -2.311 26.773 29.762 -1.130 0.000 1.422 20 H HN 0.523 nan 8.280 nan 0.000 0.420 21 T N -3.468 111.127 114.554 0.068 0.000 3.170 21 T HA 0.015 4.360 4.350 -0.009 0.000 0.288 21 T C 1.206 176.055 174.700 0.249 0.000 0.992 21 T CA 0.173 62.456 62.100 0.305 0.000 0.909 21 T CB 0.454 69.488 68.868 0.276 0.000 1.133 21 T HN 0.434 nan 8.240 nan 0.000 0.530 22 D N 1.789 122.220 120.400 0.052 0.000 2.348 22 D HA -0.096 4.538 4.640 -0.009 0.000 0.216 22 D C 1.503 177.771 176.300 -0.054 0.000 0.970 22 D CA 0.354 54.358 54.000 0.008 0.000 0.889 22 D CB 0.043 40.816 40.800 -0.046 0.000 0.912 22 D HN 0.342 nan 8.370 nan 0.000 0.524 23 K N -0.020 120.247 120.400 -0.220 0.000 2.296 23 K HA 0.021 4.336 4.320 -0.009 0.000 0.200 23 K C 0.398 176.820 176.600 -0.297 0.000 1.048 23 K CA -0.011 55.959 56.287 -0.529 0.000 0.966 23 K CB -0.086 31.576 32.500 -1.396 0.000 0.754 23 K HN 0.164 nan 8.250 nan 0.000 0.466 24 F N 1.881 121.906 119.950 0.124 0.000 2.578 24 F HA -0.045 4.474 4.527 -0.013 0.000 0.381 24 F C 1.248 177.129 175.800 0.135 0.000 1.069 24 F CA -0.029 58.124 58.000 0.255 0.000 1.231 24 F CB 0.507 39.646 39.000 0.232 0.000 1.086 24 F HN -0.177 nan 8.300 nan 0.000 0.564 25 S N 3.586 119.476 115.700 0.317 0.000 2.498 25 S HA 0.380 4.845 4.470 -0.009 0.000 0.314 25 S C -0.249 174.461 174.600 0.184 0.000 1.141 25 S CA -0.026 58.289 58.200 0.193 0.000 1.087 25 S CB -0.372 62.924 63.200 0.160 0.000 1.178 25 S HN 0.701 nan 8.310 nan 0.000 0.533 26 S N 3.363 119.153 115.700 0.148 0.000 2.586 26 S HA 0.294 4.759 4.470 -0.009 0.000 0.277 26 S C -0.296 174.347 174.600 0.073 0.000 1.131 26 S CA -0.627 57.634 58.200 0.102 0.000 0.848 26 S CB 0.950 64.210 63.200 0.100 0.000 1.091 26 S HN 0.583 nan 8.310 nan 0.000 0.453 27 Q N 1.326 121.152 119.800 0.043 0.000 2.392 27 Q HA 0.262 4.597 4.340 -0.009 0.000 0.203 27 Q C 0.032 176.037 176.000 0.008 0.000 0.917 27 Q CA 0.354 56.176 55.803 0.032 0.000 0.939 27 Q CB 0.051 28.806 28.738 0.028 0.000 1.063 27 Q HN 0.699 nan 8.270 nan 0.000 0.516 28 E N 0.889 121.083 120.200 -0.010 0.000 2.408 28 E HA 0.090 4.434 4.350 -0.009 0.000 0.259 28 E C -0.445 176.116 176.600 -0.064 0.000 1.110 28 E CA -0.386 55.983 56.400 -0.053 0.000 0.929 28 E CB 0.703 30.365 29.700 -0.063 0.000 0.971 28 E HN -0.070 nan 8.360 nan 0.000 0.438 29 L N 3.432 124.582 121.223 -0.121 0.000 2.295 29 L HA 0.256 4.591 4.340 -0.009 0.000 0.288 29 L C -0.995 175.805 176.870 -0.117 0.000 1.079 29 L CA 0.483 55.239 54.840 -0.140 0.000 0.830 29 L CB -0.078 41.827 42.059 -0.257 0.000 1.200 29 L HN 0.344 nan 8.230 nan 0.000 0.438 30 I N 6.627 127.132 120.570 -0.108 0.000 2.330 30 I HA 0.365 4.530 4.170 -0.009 0.000 0.289 30 I C -0.426 175.608 176.117 -0.139 0.000 1.001 30 I CA -0.390 60.852 61.300 -0.098 0.000 1.193 30 I CB 1.059 39.008 38.000 -0.084 0.000 1.345 30 I HN 0.522 nan 8.210 nan 0.000 0.461 31 L N 6.149 127.290 121.223 -0.138 0.000 2.279 31 L HA 0.649 4.984 4.340 -0.009 0.000 0.262 31 L C -0.283 176.633 176.870 0.077 0.000 1.019 31 L CA -0.917 53.810 54.840 -0.189 0.000 0.823 31 L CB 2.028 43.764 42.059 -0.538 0.000 1.358 31 L HN 0.491 nan 8.230 nan 0.000 0.432 32 R N 0.463 121.147 120.500 0.307 0.000 2.637 32 R HA 0.461 4.796 4.340 -0.009 0.000 0.291 32 R C -0.824 175.561 176.300 0.141 0.000 0.963 32 R CA -0.957 55.272 56.100 0.216 0.000 0.901 32 R CB 2.109 32.550 30.300 0.235 0.000 1.160 32 R HN 0.580 nan 8.270 nan 0.000 0.457 33 R N 0.412 120.952 120.500 0.067 0.000 2.734 33 R HA 0.224 4.559 4.340 -0.009 0.000 0.266 33 R C 0.450 176.735 176.300 -0.025 0.000 1.044 33 R CA 0.570 56.656 56.100 -0.022 0.000 1.128 33 R CB 0.201 30.480 30.300 -0.036 0.000 1.010 33 R HN 0.786 nan 8.270 nan 0.000 0.461 34 G N 0.183 108.910 108.800 -0.122 0.000 2.148 34 G HA2 -0.353 3.602 3.960 -0.009 0.000 0.254 34 G HA3 -0.353 3.602 3.960 -0.009 0.000 0.254 34 G C -0.119 174.732 174.900 -0.081 0.000 0.981 34 G CA 0.709 45.744 45.100 -0.108 0.000 0.670 34 G HN 0.766 nan 8.290 nan 0.000 0.528 35 Q N 0.161 119.927 119.800 -0.058 0.000 2.323 35 Q HA 0.497 4.832 4.340 -0.009 0.000 0.271 35 Q C 0.067 176.131 176.000 0.107 0.000 1.048 35 Q CA -0.730 55.030 55.803 -0.072 0.000 0.792 35 Q CB 1.000 29.543 28.738 -0.325 0.000 1.280 35 Q HN 0.462 nan 8.270 nan 0.000 0.441 36 N N 1.782 120.530 118.700 0.080 0.000 2.467 36 N HA 0.428 5.163 4.740 -0.009 0.000 0.262 36 N C -1.027 174.729 175.510 0.411 0.000 1.234 36 N CA -0.106 53.029 53.050 0.142 0.000 0.952 36 N CB 0.473 38.944 38.487 -0.027 0.000 1.158 36 N HN 0.373 nan 8.380 nan 0.000 0.463 37 F N -3.271 116.744 119.950 0.109 0.000 2.588 37 F HA 0.517 5.040 4.527 -0.007 0.000 0.314 37 F C -0.374 175.478 175.800 0.086 0.000 1.069 37 F CA -1.259 56.815 58.000 0.124 0.000 0.931 37 F CB 1.380 40.361 39.000 -0.032 0.000 1.260 37 F HN 0.526 nan 8.300 nan 0.000 0.465 38 Q N 2.315 122.267 119.800 0.253 0.000 2.316 38 Q HA 0.718 5.053 4.340 -0.009 0.000 0.264 38 Q C -1.430 174.611 176.000 0.069 0.000 0.987 38 Q CA -0.957 54.885 55.803 0.066 0.000 0.852 38 Q CB 2.319 31.080 28.738 0.039 0.000 1.287 38 Q HN 0.883 nan 8.270 nan 0.000 0.448 39 V N 1.441 121.331 119.914 -0.039 0.000 2.914 39 V HA 0.657 4.772 4.120 -0.009 0.000 0.314 39 V C -0.947 175.072 176.094 -0.125 0.000 1.084 39 V CA -1.034 61.219 62.300 -0.078 0.000 0.963 39 V CB 1.832 33.550 31.823 -0.175 0.000 1.025 39 V HN 0.731 nan 8.190 nan 0.000 0.432 40 L N 3.695 124.831 121.223 -0.146 0.000 2.305 40 L HA 0.639 4.974 4.340 -0.009 0.000 0.284 40 L C -0.366 176.417 176.870 -0.145 0.000 1.013 40 L CA -0.341 54.426 54.840 -0.121 0.000 0.819 40 L CB 1.706 43.704 42.059 -0.101 0.000 1.227 40 L HN 0.704 nan 8.230 nan 0.000 0.417 41 M N 4.959 124.496 119.600 -0.106 0.000 2.043 41 M HA 0.480 4.955 4.480 -0.009 0.000 0.322 41 M C -0.885 175.372 176.300 -0.071 0.000 0.962 41 M CA -0.372 54.866 55.300 -0.104 0.000 0.927 41 M CB 1.195 33.754 32.600 -0.069 0.000 1.466 41 M HN 0.470 nan 8.290 nan 0.000 0.412 42 I N 6.266 126.793 120.570 -0.070 0.000 2.322 42 I HA 0.174 4.339 4.170 -0.009 0.000 0.292 42 I C -0.062 176.028 176.117 -0.045 0.000 1.060 42 I CA -0.396 60.874 61.300 -0.050 0.000 1.309 42 I CB 0.721 38.695 38.000 -0.043 0.000 1.415 42 I HN 0.619 nan 8.210 nan 0.000 0.492 43 M N 5.298 124.875 119.600 -0.038 0.000 2.369 43 M HA 0.207 4.682 4.480 -0.009 0.000 0.291 43 M C 1.232 177.515 176.300 -0.029 0.000 1.178 43 M CA -0.506 54.772 55.300 -0.036 0.000 0.996 43 M CB 0.347 32.927 32.600 -0.033 0.000 1.472 43 M HN 0.521 nan 8.290 nan 0.000 0.496 44 N N 0.618 119.302 118.700 -0.027 0.000 2.416 44 N HA -0.045 4.690 4.740 -0.009 0.000 0.177 44 N C -0.144 175.355 175.510 -0.018 0.000 1.036 44 N CA 0.603 53.641 53.050 -0.021 0.000 0.901 44 N CB 0.293 38.767 38.487 -0.021 0.000 0.976 44 N HN 0.740 nan 8.380 nan 0.000 0.444 45 K N -2.070 118.319 120.400 -0.019 0.000 2.507 45 K HA 0.613 4.927 4.320 -0.009 0.000 0.284 45 K C -0.201 176.390 176.600 -0.014 0.000 1.038 45 K CA -0.963 55.315 56.287 -0.015 0.000 0.903 45 K CB 0.626 33.119 32.500 -0.013 0.000 1.531 45 K HN -0.123 nan 8.250 nan 0.000 0.430 46 G N 0.552 109.345 108.800 -0.011 0.000 2.569 46 G HA2 0.255 4.210 3.960 -0.009 0.000 0.249 46 G HA3 0.255 4.210 3.960 -0.009 0.000 0.249 46 G C -0.582 174.314 174.900 -0.008 0.000 1.216 46 G CA -0.914 44.180 45.100 -0.010 0.000 0.845 46 G HN 0.523 nan 8.290 nan 0.000 0.568 47 L N 2.151 123.370 121.223 -0.006 0.000 2.485 47 L HA 0.326 4.661 4.340 -0.009 0.000 0.279 47 L C 1.226 178.096 176.870 0.000 0.000 1.124 47 L CA -0.522 54.316 54.840 -0.002 0.000 0.888 47 L CB -0.437 41.623 42.059 0.001 0.000 1.217 47 L HN 0.577 nan 8.230 nan 0.000 0.464 48 G N 2.068 110.869 108.800 0.002 0.000 2.544 48 G HA2 -0.005 3.950 3.960 -0.009 0.000 0.242 48 G HA3 -0.005 3.950 3.960 -0.009 0.000 0.242 48 G C 0.844 175.746 174.900 0.003 0.000 1.247 48 G CA 0.117 45.219 45.100 0.003 0.000 0.840 48 G HN 0.732 nan 8.290 nan 0.000 0.578 49 S N 0.580 116.280 115.700 0.001 0.000 2.419 49 S HA -0.150 4.315 4.470 -0.009 0.000 0.233 49 S C 1.837 176.435 174.600 -0.002 0.000 1.016 49 S CA 1.499 59.699 58.200 -0.001 0.000 0.974 49 S CB -0.175 63.024 63.200 -0.002 0.000 0.786 49 S HN 0.625 nan 8.310 nan 0.000 0.492 50 N N 0.855 119.555 118.700 0.001 0.000 2.251 50 N HA 0.181 4.916 4.740 -0.009 0.000 0.217 50 N C -0.574 174.943 175.510 0.011 0.000 1.124 50 N CA -0.103 52.947 53.050 0.001 0.000 0.843 50 N CB 0.410 38.900 38.487 0.004 0.000 1.024 50 N HN 0.494 nan 8.380 nan 0.000 0.501 51 E N -0.126 120.084 120.200 0.016 0.000 2.235 51 E HA 0.425 4.770 4.350 -0.009 0.000 0.265 51 E C -0.609 176.011 176.600 0.033 0.000 0.940 51 E CA -0.861 55.564 56.400 0.043 0.000 0.819 51 E CB 2.318 32.040 29.700 0.038 0.000 1.206 51 E HN 0.034 nan 8.360 nan 0.000 0.409 52 R N 1.716 122.267 120.500 0.086 0.000 2.740 52 R HA 0.472 4.807 4.340 -0.009 0.000 0.273 52 R C -1.768 174.622 176.300 0.149 0.000 0.998 52 R CA -0.566 55.569 56.100 0.057 0.000 0.900 52 R CB 1.206 31.440 30.300 -0.110 0.000 1.223 52 R HN 0.481 nan 8.270 nan 0.000 0.466 53 L N 2.732 123.989 121.223 0.056 0.000 2.365 53 L HA 0.527 4.862 4.340 -0.009 0.000 0.273 53 L C -0.516 176.314 176.870 -0.067 0.000 1.000 53 L CA -0.802 54.011 54.840 -0.045 0.000 0.819 53 L CB 2.160 44.123 42.059 -0.159 0.000 1.284 53 L HN 0.556 nan 8.230 nan 0.000 0.418 54 E N 3.047 123.164 120.200 -0.138 0.000 2.216 54 E HA 0.374 4.719 4.350 -0.009 0.000 0.260 54 E C -1.292 175.090 176.600 -0.362 0.000 0.880 54 E CA -0.521 55.803 56.400 -0.126 0.000 0.765 54 E CB 2.361 32.099 29.700 0.063 0.000 1.174 54 E HN 0.231 nan 8.360 nan 0.000 0.417 55 F N 2.222 121.876 119.950 -0.493 0.000 2.389 55 F HA 0.360 4.882 4.527 -0.008 0.000 0.337 55 F C 0.759 176.198 175.800 -0.601 0.000 1.112 55 F CA -0.202 57.412 58.000 -0.643 0.000 1.192 55 F CB 0.661 39.029 39.000 -1.053 0.000 1.185 55 F HN 0.271 nan 8.300 nan 0.000 0.552 56 I N 3.467 123.968 120.570 -0.114 0.000 2.500 56 I HA 0.374 4.539 4.170 -0.009 0.000 0.286 56 I C -1.124 175.041 176.117 0.081 0.000 1.063 56 I CA -0.899 60.391 61.300 -0.017 0.000 1.062 56 I CB 1.676 39.668 38.000 -0.013 0.000 1.223 56 I HN 0.314 nan 8.210 nan 0.000 0.435 57 V N 2.701 122.655 119.914 0.067 0.000 2.715 57 V HA 0.977 5.091 4.120 -0.009 0.000 0.310 57 V C -0.146 175.983 176.094 0.059 0.000 1.054 57 V CA -0.431 61.907 62.300 0.064 0.000 0.928 57 V CB 1.660 33.340 31.823 -0.239 0.000 1.007 57 V HN 0.805 nan 8.190 nan 0.000 0.437 58 S N 1.291 117.060 115.700 0.116 0.000 2.547 58 S HA 0.784 5.249 4.470 -0.009 0.000 0.270 58 S C -0.674 173.772 174.600 -0.256 0.000 1.150 58 S CA -0.392 57.796 58.200 -0.020 0.000 0.850 58 S CB 1.773 64.956 63.200 -0.028 0.000 1.118 58 S HN 1.453 nan 8.310 nan 0.000 0.461 59 T N 0.310 114.615 114.554 -0.416 0.000 2.916 59 T HA 0.780 5.125 4.350 -0.009 0.000 0.305 59 T C 0.188 174.725 174.700 -0.271 0.000 1.119 59 T CA 0.956 62.719 62.100 -0.563 0.000 1.008 59 T CB 0.790 68.966 68.868 -1.153 0.000 1.129 59 T HN 2.537 nan 8.240 nan 0.000 0.480 60 G N 4.341 113.027 108.800 -0.190 0.000 2.756 60 G HA2 -0.084 3.871 3.960 -0.009 0.000 0.678 60 G HA3 -0.084 3.871 3.960 -0.009 0.000 0.678 60 G C -1.835 173.000 174.900 -0.108 0.000 1.349 60 G CA -0.174 44.890 45.100 -0.061 0.000 0.847 60 G HN 0.650 nan 8.290 nan 0.000 0.548 61 P HA 0.052 nan 4.420 nan 0.000 0.229 61 P C 0.006 176.894 177.300 -0.688 0.000 1.160 61 P CA 1.303 64.131 63.100 -0.455 0.000 0.777 61 P CB 0.114 31.451 31.700 -0.605 0.000 0.814 62 Y N 0.048 120.327 120.300 -0.036 0.000 2.511 62 Y HA 0.418 4.962 4.550 -0.009 0.000 0.356 62 Y C -2.353 173.527 175.900 -0.033 0.000 1.002 62 Y CA -3.124 54.953 58.100 -0.037 0.000 1.127 62 Y CB -0.046 38.385 38.460 -0.048 0.000 1.137 62 Y HN -0.084 nan 8.280 nan 0.000 0.652 63 P HA -0.047 nan 4.420 nan 0.000 0.256 63 P C 0.002 177.337 177.300 0.057 0.000 1.173 63 P CA 0.681 63.796 63.100 0.024 0.000 0.768 63 P CB 0.709 32.406 31.700 -0.005 0.000 0.758 64 S N 2.357 118.092 115.700 0.058 0.000 2.594 64 S HA 0.248 4.712 4.470 -0.009 0.000 0.296 64 S C 0.897 175.537 174.600 0.067 0.000 1.124 64 S CA -0.581 57.655 58.200 0.060 0.000 1.011 64 S CB 0.902 64.135 63.200 0.054 0.000 1.016 64 S HN 0.209 nan 8.310 nan 0.000 0.485 65 E N 2.307 122.548 120.200 0.069 0.000 2.077 65 E HA -0.058 4.287 4.350 -0.009 0.000 0.193 65 E C 1.848 178.498 176.600 0.084 0.000 0.989 65 E CA 1.702 58.153 56.400 0.085 0.000 0.800 65 E CB -0.057 29.693 29.700 0.083 0.000 0.746 65 E HN 0.608 nan 8.360 nan 0.000 0.452 66 S N 0.370 116.108 115.700 0.064 0.000 2.402 66 S HA -0.097 4.368 4.470 -0.009 0.000 0.229 66 S C 1.944 176.577 174.600 0.056 0.000 1.021 66 S CA 0.944 59.177 58.200 0.055 0.000 0.974 66 S CB -0.130 63.093 63.200 0.038 0.000 0.800 66 S HN 0.383 nan 8.310 nan 0.000 0.484 67 A N 0.337 123.189 122.820 0.054 0.000 2.238 67 A HA 0.390 4.705 4.320 -0.009 0.000 0.208 67 A C 1.116 178.746 177.584 0.077 0.000 1.177 67 A CA 0.286 52.352 52.037 0.049 0.000 0.804 67 A CB -0.601 18.420 19.000 0.035 0.000 0.823 67 A HN 0.405 nan 8.150 nan 0.000 0.482 68 M N -1.784 117.881 119.600 0.108 0.000 2.943 68 M HA -0.184 4.290 4.480 -0.009 0.000 0.198 68 M C 1.009 177.423 176.300 0.191 0.000 0.606 68 M CA 1.294 56.695 55.300 0.167 0.000 0.744 68 M CB -2.224 30.478 32.600 0.170 0.000 2.671 68 M HN 0.644 nan 8.290 nan 0.000 0.342 69 T N -2.544 112.081 114.554 0.119 0.000 3.122 69 T HA 0.355 4.700 4.350 -0.009 0.000 0.250 69 T C 0.165 174.898 174.700 0.054 0.000 1.067 69 T CA 0.101 62.244 62.100 0.073 0.000 0.966 69 T CB 0.545 69.425 68.868 0.019 0.000 1.002 69 T HN 0.494 nan 8.240 nan 0.000 0.542 70 K N 0.100 120.555 120.400 0.091 0.000 2.562 70 K HA 0.652 4.967 4.320 -0.009 0.000 0.267 70 K C -2.249 174.393 176.600 0.070 0.000 0.938 70 K CA -0.779 55.545 56.287 0.060 0.000 0.840 70 K CB 2.145 34.675 32.500 0.050 0.000 1.390 70 K HN 0.131 nan 8.250 nan 0.000 0.428 71 A N 2.393 125.230 122.820 0.028 0.000 2.488 71 A HA 0.576 4.891 4.320 -0.009 0.000 0.295 71 A C -1.736 175.988 177.584 0.234 0.000 1.045 71 A CA -0.624 51.473 52.037 0.100 0.000 0.703 71 A CB 1.791 20.744 19.000 -0.079 0.000 1.271 71 A HN 0.281 nan 8.150 nan 0.000 0.400 72 V N 3.065 123.152 119.914 0.287 0.000 2.444 72 V HA 0.754 4.869 4.120 -0.009 0.000 0.294 72 V C -1.072 175.251 176.094 0.382 0.000 1.022 72 V CA -0.334 62.105 62.300 0.231 0.000 0.850 72 V CB 0.685 32.583 31.823 0.126 0.000 0.992 72 V HN 0.895 nan 8.190 nan 0.000 0.426 73 F N 4.872 124.925 119.950 0.171 0.000 2.591 73 F HA 0.894 5.416 4.527 -0.008 0.000 0.309 73 F C -3.034 172.904 175.800 0.231 0.000 1.098 73 F CA -3.201 54.912 58.000 0.188 0.000 0.937 73 F CB 1.739 40.864 39.000 0.209 0.000 1.250 73 F HN 0.265 nan 8.300 nan 0.000 0.447 74 P HA 0.211 nan 4.420 nan 0.000 0.281 74 P C -0.876 176.575 177.300 0.252 0.000 1.249 74 P CA -0.436 62.772 63.100 0.180 0.000 0.810 74 P CB 2.309 34.074 31.700 0.108 0.000 1.008 75 L N 2.234 123.598 121.223 0.235 0.000 2.369 75 L HA 0.130 4.465 4.340 -0.009 0.000 0.279 75 L C 0.117 177.069 176.870 0.137 0.000 1.108 75 L CA 0.572 55.561 54.840 0.248 0.000 0.852 75 L CB 0.130 42.341 42.059 0.252 0.000 1.169 75 L HN 0.512 nan 8.230 nan 0.000 0.452 76 S N 3.590 119.359 115.700 0.114 0.000 2.795 76 S HA 0.424 4.889 4.470 -0.009 0.000 0.308 76 S C 0.433 175.060 174.600 0.045 0.000 1.098 76 S CA -0.730 57.512 58.200 0.071 0.000 0.934 76 S CB 1.528 64.770 63.200 0.070 0.000 1.300 76 S HN 0.706 nan 8.310 nan 0.000 0.566 77 N N -0.489 118.229 118.700 0.030 0.000 2.210 77 N HA 0.215 4.950 4.740 -0.009 0.000 0.203 77 N C 0.302 175.819 175.510 0.012 0.000 1.175 77 N CA -0.159 52.901 53.050 0.017 0.000 0.894 77 N CB 0.680 39.175 38.487 0.013 0.000 1.041 77 N HN 0.579 nan 8.380 nan 0.000 0.506 78 G N 0.276 109.086 108.800 0.017 0.000 2.416 78 G HA2 0.374 4.329 3.960 -0.009 0.000 0.329 78 G HA3 0.374 4.329 3.960 -0.009 0.000 0.329 78 G C -0.901 174.007 174.900 0.013 0.000 1.173 78 G CA -0.192 44.915 45.100 0.012 0.000 0.929 78 G HN -0.063 nan 8.290 nan 0.000 0.475 79 S N 0.280 115.980 115.700 0.000 0.000 2.562 79 S HA 0.619 5.084 4.470 -0.009 0.000 0.275 79 S C 0.390 174.985 174.600 -0.010 0.000 1.281 79 S CA -0.348 57.846 58.200 -0.011 0.000 1.045 79 S CB 1.180 64.364 63.200 -0.027 0.000 0.962 79 S HN 0.744 nan 8.310 nan 0.000 0.503 80 S N 2.321 118.011 115.700 -0.016 0.000 2.648 80 S HA 0.749 5.214 4.470 -0.009 0.000 0.305 80 S C 0.934 175.498 174.600 -0.060 0.000 1.094 80 S CA -0.211 57.980 58.200 -0.016 0.000 0.983 80 S CB 1.098 64.310 63.200 0.019 0.000 1.101 80 S HN 0.887 nan 8.310 nan 0.000 0.514 81 G N 1.259 110.026 108.800 -0.055 0.000 2.583 81 G HA2 0.244 4.199 3.960 -0.009 0.000 0.215 81 G HA3 0.244 4.199 3.960 -0.009 0.000 0.215 81 G C 0.827 175.642 174.900 -0.143 0.000 1.481 81 G CA 0.228 45.274 45.100 -0.090 0.000 0.948 81 G HN 1.113 nan 8.290 nan 0.000 0.511 82 G N -0.129 108.619 108.800 -0.087 0.000 2.513 82 G HA2 0.217 4.172 3.960 -0.009 0.000 0.290 82 G HA3 0.217 4.172 3.960 -0.009 0.000 0.290 82 G C -0.427 174.453 174.900 -0.034 0.000 0.708 82 G CA -0.108 44.950 45.100 -0.072 0.000 2.012 82 G HN 0.500 nan 8.290 nan 0.000 0.493 83 W N -0.284 120.829 121.300 -0.312 0.000 3.080 83 W HA -0.111 4.543 4.660 -0.009 0.000 0.452 83 W C 0.691 176.671 176.519 -0.899 0.000 1.856 83 W CA 0.794 57.689 57.345 -0.749 0.000 0.459 83 W CB -1.491 27.422 29.460 -0.911 0.000 2.859 83 W HN 1.099 nan 8.180 nan 0.000 0.417 84 S N 1.381 116.743 115.700 -0.562 0.000 2.607 84 S HA 0.991 5.455 4.470 -0.009 0.000 0.273 84 S C -0.783 173.834 174.600 0.029 0.000 1.148 84 S CA -0.781 57.331 58.200 -0.148 0.000 0.833 84 S CB 2.446 65.601 63.200 -0.074 0.000 1.130 84 S HN 1.533 nan 8.310 nan 0.000 0.470 85 A N 1.213 124.151 122.820 0.198 0.000 2.414 85 A HA 0.715 5.030 4.320 -0.009 0.000 0.286 85 A C -1.155 176.444 177.584 0.024 0.000 1.073 85 A CA -0.663 51.381 52.037 0.012 0.000 0.727 85 A CB 1.257 20.178 19.000 -0.131 0.000 1.215 85 A HN 1.042 nan 8.150 nan 0.000 0.430 86 V N 2.987 122.876 119.914 -0.042 0.000 2.459 86 V HA 0.388 4.503 4.120 -0.009 0.000 0.295 86 V C -0.299 175.785 176.094 -0.016 0.000 1.029 86 V CA -0.593 61.699 62.300 -0.013 0.000 0.874 86 V CB 1.569 33.376 31.823 -0.027 0.000 0.985 86 V HN 0.823 nan 8.190 nan 0.000 0.438 87 L N 5.070 126.299 121.223 0.011 0.000 2.295 87 L HA 0.312 4.647 4.340 -0.009 0.000 0.288 87 L C 1.135 178.001 176.870 -0.006 0.000 1.079 87 L CA 0.838 55.683 54.840 0.009 0.000 0.830 87 L CB 0.756 42.830 42.059 0.025 0.000 1.200 87 L HN 0.733 nan 8.230 nan 0.000 0.438 88 Q N 4.064 123.853 119.800 -0.019 0.000 2.250 88 Q HA 0.393 4.728 4.340 -0.009 0.000 0.200 88 Q C 0.115 176.103 176.000 -0.019 0.000 0.941 88 Q CA 0.764 56.554 55.803 -0.021 0.000 0.872 88 Q CB 0.344 29.064 28.738 -0.031 0.000 0.965 88 Q HN 0.779 nan 8.270 nan 0.000 0.480 89 A N -0.004 122.804 122.820 -0.021 0.000 2.597 89 A HA 0.582 4.897 4.320 -0.009 0.000 0.292 89 A C -1.335 176.238 177.584 -0.019 0.000 1.057 89 A CA -0.645 51.380 52.037 -0.020 0.000 0.674 89 A CB 1.733 20.717 19.000 -0.026 0.000 1.278 89 A HN -0.042 nan 8.150 nan 0.000 0.416 90 S N 0.884 116.574 115.700 -0.016 0.000 2.707 90 S HA 0.561 5.026 4.470 -0.009 0.000 0.303 90 S C -1.040 173.550 174.600 -0.017 0.000 1.132 90 S CA -0.494 57.697 58.200 -0.015 0.000 1.046 90 S CB 0.935 64.129 63.200 -0.010 0.000 1.004 90 S HN 0.605 nan 8.310 nan 0.000 0.483 91 N N 1.837 120.525 118.700 -0.020 0.000 2.524 91 N HA 0.636 5.371 4.740 -0.009 0.000 0.261 91 N C 0.709 176.207 175.510 -0.019 0.000 0.998 91 N CA 0.007 53.045 53.050 -0.020 0.000 0.915 91 N CB 1.613 40.086 38.487 -0.023 0.000 1.187 91 N HN 0.778 nan 8.380 nan 0.000 0.507 92 G N 2.468 111.259 108.800 -0.015 0.000 2.561 92 G HA2 -0.391 3.564 3.960 -0.009 0.000 0.289 92 G HA3 -0.391 3.564 3.960 -0.009 0.000 0.289 92 G C 0.371 175.262 174.900 -0.016 0.000 1.169 92 G CA 0.070 45.161 45.100 -0.015 0.000 0.980 92 G HN 0.554 nan 8.290 nan 0.000 0.550 93 N N 1.332 120.021 118.700 -0.018 0.000 2.280 93 N HA 0.167 4.902 4.740 -0.009 0.000 0.192 93 N C 0.347 175.842 175.510 -0.025 0.000 1.109 93 N CA 0.915 53.953 53.050 -0.020 0.000 0.855 93 N CB 0.475 38.950 38.487 -0.020 0.000 0.974 93 N HN 0.501 nan 8.380 nan 0.000 0.482 94 T N 1.830 116.368 114.554 -0.026 0.000 2.771 94 T HA 0.425 4.770 4.350 -0.009 0.000 0.291 94 T C 0.350 175.031 174.700 -0.031 0.000 0.954 94 T CA -0.300 61.780 62.100 -0.033 0.000 1.045 94 T CB 1.135 69.981 68.868 -0.037 0.000 0.917 94 T HN -0.047 nan 8.240 nan 0.000 0.484 95 L N 3.302 124.506 121.223 -0.032 0.000 2.296 95 L HA 0.426 4.761 4.340 -0.009 0.000 0.286 95 L C 0.413 177.261 176.870 -0.036 0.000 1.023 95 L CA -0.826 54.000 54.840 -0.023 0.000 0.812 95 L CB 1.405 43.462 42.059 -0.003 0.000 1.223 95 L HN 0.541 nan 8.230 nan 0.000 0.421 96 T N 4.718 119.249 114.554 -0.039 0.000 2.738 96 T HA 0.580 4.925 4.350 -0.009 0.000 0.298 96 T C -0.028 174.641 174.700 -0.052 0.000 0.962 96 T CA -0.096 61.970 62.100 -0.057 0.000 0.972 96 T CB 0.313 69.145 68.868 -0.060 0.000 0.928 96 T HN 0.272 nan 8.240 nan 0.000 0.474 97 I N 2.045 122.572 120.570 -0.071 0.000 2.509 97 I HA 0.464 4.629 4.170 -0.009 0.000 0.293 97 I C 0.212 176.234 176.117 -0.157 0.000 1.020 97 I CA -0.852 60.392 61.300 -0.093 0.000 1.088 97 I CB 2.124 40.079 38.000 -0.076 0.000 1.267 97 I HN 0.445 nan 8.210 nan 0.000 0.430 98 S N 6.629 122.228 115.700 -0.169 0.000 2.456 98 S HA 0.670 5.134 4.470 -0.009 0.000 0.316 98 S C -0.697 173.706 174.600 -0.328 0.000 1.089 98 S CA -0.485 57.589 58.200 -0.211 0.000 1.101 98 S CB 0.361 63.492 63.200 -0.115 0.000 0.995 98 S HN 0.421 nan 8.310 nan 0.000 0.468 99 I N 3.368 123.581 120.570 -0.595 0.000 2.493 99 I HA 0.497 4.662 4.170 -0.009 0.000 0.298 99 I C 0.209 175.951 176.117 -0.624 0.000 0.998 99 I CA -0.532 60.363 61.300 -0.674 0.000 1.137 99 I CB 2.126 39.545 38.000 -0.968 0.000 1.310 99 I HN 0.516 nan 8.210 nan 0.000 0.445 100 S N 2.944 118.434 115.700 -0.350 0.000 2.570 100 S HA 0.736 5.201 4.470 -0.009 0.000 0.286 100 S C -0.650 173.670 174.600 -0.466 0.000 1.099 100 S CA -0.505 57.532 58.200 -0.271 0.000 0.913 100 S CB 1.654 64.729 63.200 -0.208 0.000 1.085 100 S HN 0.718 nan 8.310 nan 0.000 0.480 101 S N 2.688 118.015 115.700 -0.622 0.000 2.648 101 S HA 0.785 5.250 4.470 -0.009 0.000 0.305 101 S C -3.128 171.018 174.600 -0.757 0.000 1.094 101 S CA -1.537 55.870 58.200 -1.323 0.000 0.983 101 S CB 1.590 63.859 63.200 -1.551 0.000 1.101 101 S HN 0.568 nan 8.310 nan 0.000 0.514 102 P HA 0.302 nan 4.420 nan 0.000 0.284 102 P C 0.300 177.476 177.300 -0.207 0.000 1.253 102 P CA -0.426 62.472 63.100 -0.337 0.000 0.800 102 P CB 1.164 32.730 31.700 -0.223 0.000 0.961 103 A N 2.762 125.518 122.820 -0.108 0.000 2.259 103 A HA -0.074 4.241 4.320 -0.009 0.000 0.212 103 A C 1.546 179.146 177.584 0.026 0.000 1.178 103 A CA 1.481 53.501 52.037 -0.027 0.000 0.734 103 A CB -1.066 17.931 19.000 -0.004 0.000 0.774 103 A HN 0.618 nan 8.150 nan 0.000 0.481 104 S N -1.462 114.245 115.700 0.011 0.000 2.663 104 S HA 0.627 5.092 4.470 -0.009 0.000 0.243 104 S C 0.525 175.171 174.600 0.078 0.000 1.009 104 S CA 0.199 58.436 58.200 0.061 0.000 0.988 104 S CB -0.303 62.931 63.200 0.055 0.000 0.896 104 S HN 0.740 nan 8.310 nan 0.000 0.502 105 A N 2.611 125.464 122.820 0.055 0.000 2.407 105 A HA 0.657 4.972 4.320 -0.009 0.000 0.248 105 A C -2.658 175.024 177.584 0.164 0.000 1.082 105 A CA -1.446 50.685 52.037 0.156 0.000 0.785 105 A CB -0.303 18.778 19.000 0.134 0.000 1.020 105 A HN 0.357 nan 8.150 nan 0.000 0.489 106 P HA 0.264 nan 4.420 nan 0.000 0.271 106 P C -0.140 177.257 177.300 0.162 0.000 1.218 106 P CA -0.076 63.111 63.100 0.144 0.000 0.780 106 P CB 0.455 32.233 31.700 0.130 0.000 0.901 107 I N -0.937 119.606 120.570 -0.046 0.000 2.970 107 I HA 0.848 5.013 4.170 -0.009 0.000 0.310 107 I C 0.651 176.784 176.117 0.026 0.000 1.010 107 I CA -0.336 60.922 61.300 -0.071 0.000 1.228 107 I CB 0.680 38.426 38.000 -0.422 0.000 1.433 107 I HN 0.618 nan 8.210 nan 0.000 0.573 108 G N 2.900 111.730 108.800 0.051 0.000 2.293 108 G HA2 0.023 3.978 3.960 -0.009 0.000 0.282 108 G HA3 0.023 3.978 3.960 -0.009 0.000 0.282 108 G C -1.099 173.796 174.900 -0.007 0.000 1.299 108 G CA -1.085 44.006 45.100 -0.016 0.000 1.018 108 G HN 0.818 nan 8.290 nan 0.000 0.478 109 R N -0.297 120.129 120.500 -0.124 0.000 2.308 109 R HA 0.589 4.924 4.340 -0.009 0.000 0.305 109 R C -0.995 175.124 176.300 -0.303 0.000 1.053 109 R CA -0.167 55.830 56.100 -0.171 0.000 0.957 109 R CB 0.758 30.960 30.300 -0.164 0.000 1.022 109 R HN 0.451 nan 8.270 nan 0.000 0.461 110 Y N -0.077 119.881 120.300 -0.571 0.000 2.587 110 Y HA 0.379 4.923 4.550 -0.010 0.000 0.337 110 Y C 0.478 176.050 175.900 -0.547 0.000 1.065 110 Y CA -0.601 57.118 58.100 -0.635 0.000 1.126 110 Y CB 2.458 40.270 38.460 -1.079 0.000 1.279 110 Y HN 0.409 nan 8.280 nan 0.000 0.489 111 T N 3.103 117.582 114.554 -0.124 0.000 2.841 111 T HA 0.512 4.856 4.350 -0.009 0.000 0.283 111 T C -1.054 173.734 174.700 0.147 0.000 1.000 111 T CA -0.701 61.390 62.100 -0.016 0.000 0.977 111 T CB 0.894 69.750 68.868 -0.020 0.000 0.979 111 T HN 0.517 nan 8.240 nan 0.000 0.446 112 M N 3.086 122.849 119.600 0.272 0.000 2.243 112 M HA 0.746 5.221 4.480 -0.009 0.000 0.324 112 M C -1.238 175.226 176.300 0.274 0.000 1.031 112 M CA -0.588 54.943 55.300 0.384 0.000 0.949 112 M CB 1.047 34.045 32.600 0.664 0.000 1.615 112 M HN 0.754 nan 8.290 nan 0.000 0.430 113 A N 4.021 126.945 122.820 0.174 0.000 2.430 113 A HA 0.893 5.207 4.320 -0.009 0.000 0.300 113 A C -2.098 175.473 177.584 -0.022 0.000 1.124 113 A CA -0.731 51.352 52.037 0.075 0.000 0.766 113 A CB 1.833 20.849 19.000 0.028 0.000 1.328 113 A HN 0.796 nan 8.150 nan 0.000 0.424 114 L N 0.182 121.341 121.223 -0.105 0.000 2.365 114 L HA 0.615 4.949 4.340 -0.009 0.000 0.273 114 L C -0.347 176.392 176.870 -0.219 0.000 1.000 114 L CA -0.091 54.588 54.840 -0.268 0.000 0.819 114 L CB 1.986 43.851 42.059 -0.325 0.000 1.284 114 L HN 0.808 nan 8.230 nan 0.000 0.418 115 Q N 4.543 124.197 119.800 -0.244 0.000 2.322 115 Q HA 0.623 4.958 4.340 -0.009 0.000 0.265 115 Q C -1.617 174.245 176.000 -0.230 0.000 0.985 115 Q CA -0.515 55.152 55.803 -0.227 0.000 0.849 115 Q CB 1.441 30.071 28.738 -0.179 0.000 1.274 115 Q HN 0.738 nan 8.270 nan 0.000 0.449 116 I N 3.951 124.354 120.570 -0.278 0.000 2.406 116 I HA 0.330 4.495 4.170 -0.009 0.000 0.290 116 I C -1.001 174.950 176.117 -0.276 0.000 0.999 116 I CA -0.720 60.468 61.300 -0.185 0.000 1.124 116 I CB 1.205 39.123 38.000 -0.137 0.000 1.289 116 I HN 0.580 nan 8.210 nan 0.000 0.441 117 F N 4.686 124.595 119.950 -0.068 0.000 2.334 117 F HA 0.457 4.979 4.527 -0.009 0.000 0.367 117 F C 0.523 176.299 175.800 -0.041 0.000 1.115 117 F CA -0.237 57.734 58.000 -0.047 0.000 1.116 117 F CB 1.419 40.395 39.000 -0.040 0.000 1.230 117 F HN 0.328 nan 8.300 nan 0.000 0.484 118 S N 2.817 118.562 115.700 0.075 0.000 2.546 118 S HA 0.329 4.793 4.470 -0.009 0.000 0.272 118 S C -0.747 173.868 174.600 0.025 0.000 1.140 118 S CA -0.566 57.659 58.200 0.042 0.000 0.920 118 S CB 0.997 64.200 63.200 0.005 0.000 1.083 118 S HN 0.698 nan 8.310 nan 0.000 0.476 119 Q N 2.419 122.235 119.800 0.027 0.000 2.452 119 Q HA -0.203 4.132 4.340 -0.009 0.000 0.318 119 Q C 0.904 176.916 176.000 0.020 0.000 1.386 119 Q CA 0.925 56.739 55.803 0.017 0.000 0.872 119 Q CB -1.971 26.770 28.738 0.004 0.000 1.151 119 Q HN 1.733 nan 8.270 nan 0.000 0.417 120 G N -2.110 106.713 108.800 0.038 0.000 2.166 120 G HA2 -0.269 3.686 3.960 -0.009 0.000 0.260 120 G HA3 -0.269 3.686 3.960 -0.009 0.000 0.260 120 G C 0.349 175.269 174.900 0.033 0.000 0.986 120 G CA 0.409 45.533 45.100 0.040 0.000 0.683 120 G HN 0.986 nan 8.290 nan 0.000 0.527 121 G N -1.283 107.529 108.800 0.019 0.000 3.015 121 G HA2 0.802 4.757 3.960 -0.009 0.000 0.281 121 G HA3 0.802 4.757 3.960 -0.009 0.000 0.281 121 G C -0.995 173.853 174.900 -0.088 0.000 1.386 121 G CA -0.929 44.157 45.100 -0.024 0.000 0.959 121 G HN 0.718 nan 8.290 nan 0.000 0.522 122 I N 0.631 121.102 120.570 -0.165 0.000 2.656 122 I HA 0.476 4.641 4.170 -0.009 0.000 0.292 122 I C -0.275 175.692 176.117 -0.250 0.000 1.144 122 I CA -0.760 60.336 61.300 -0.340 0.000 1.038 122 I CB 2.585 40.301 38.000 -0.474 0.000 1.244 122 I HN 0.641 nan 8.210 nan 0.000 0.420 123 S N 3.035 118.576 115.700 -0.264 0.000 2.599 123 S HA 0.811 5.276 4.470 -0.009 0.000 0.287 123 S C -0.839 173.647 174.600 -0.190 0.000 1.105 123 S CA -0.669 57.423 58.200 -0.180 0.000 0.899 123 S CB 2.231 65.353 63.200 -0.129 0.000 1.100 123 S HN 0.488 nan 8.310 nan 0.000 0.482 124 S N -0.049 115.570 115.700 -0.136 0.000 2.570 124 S HA 0.891 5.356 4.470 -0.009 0.000 0.286 124 S C -1.494 173.057 174.600 -0.081 0.000 1.099 124 S CA -0.632 57.497 58.200 -0.119 0.000 0.913 124 S CB 1.721 64.860 63.200 -0.102 0.000 1.085 124 S HN 1.215 nan 8.310 nan 0.000 0.480 125 V N 2.479 122.352 119.914 -0.068 0.000 3.000 125 V HA 0.501 4.616 4.120 -0.009 0.000 0.300 125 V C -1.345 174.747 176.094 -0.004 0.000 1.251 125 V CA -0.830 61.450 62.300 -0.035 0.000 0.972 125 V CB 2.083 33.884 31.823 -0.038 0.000 1.065 125 V HN 0.859 nan 8.190 nan 0.000 0.431 126 K N 4.941 125.356 120.400 0.026 0.000 2.297 126 K HA 0.437 4.752 4.320 -0.009 0.000 0.286 126 K C 0.382 177.056 176.600 0.124 0.000 1.053 126 K CA -0.388 55.941 56.287 0.070 0.000 0.940 126 K CB 1.153 33.689 32.500 0.061 0.000 1.019 126 K HN 0.769 nan 8.250 nan 0.000 0.475 127 L N 2.809 124.156 121.223 0.206 0.000 2.202 127 L HA 0.213 4.548 4.340 -0.009 0.000 0.205 127 L C 1.180 178.367 176.870 0.528 0.000 1.083 127 L CA 0.757 55.798 54.840 0.334 0.000 0.790 127 L CB 0.047 42.340 42.059 0.390 0.000 0.942 127 L HN 1.008 nan 8.230 nan 0.000 0.452 128 G N -0.881 108.172 108.800 0.420 0.000 2.345 128 G HA2 0.268 4.223 3.960 -0.009 0.000 0.285 128 G HA3 0.268 4.223 3.960 -0.009 0.000 0.285 128 G C -1.157 173.794 174.900 0.086 0.000 1.297 128 G CA -0.046 45.192 45.100 0.230 0.000 0.875 128 G HN 0.021 nan 8.290 nan 0.000 0.506 129 T N -1.991 112.508 114.554 -0.091 0.000 2.901 129 T HA 0.922 5.267 4.350 -0.009 0.000 0.293 129 T C -0.676 173.961 174.700 -0.106 0.000 1.084 129 T CA -0.183 61.865 62.100 -0.087 0.000 1.008 129 T CB 2.216 71.015 68.868 -0.115 0.000 1.170 129 T HN 2.012 nan 8.240 nan 0.000 0.509 130 F N -1.278 118.564 119.950 -0.180 0.000 2.779 130 F HA 0.831 5.352 4.527 -0.009 0.000 0.316 130 F C -2.014 173.735 175.800 -0.084 0.000 1.164 130 F CA -1.819 56.051 58.000 -0.216 0.000 0.924 130 F CB 0.965 39.782 39.000 -0.305 0.000 1.348 130 F HN 0.605 nan 8.300 nan 0.000 0.467 131 I N 2.396 122.994 120.570 0.047 0.000 2.433 131 I HA 0.483 4.647 4.170 -0.009 0.000 0.292 131 I C -1.476 174.707 176.117 0.111 0.000 1.001 131 I CA -0.962 60.336 61.300 -0.003 0.000 1.119 131 I CB 1.926 39.880 38.000 -0.076 0.000 1.289 131 I HN 0.545 nan 8.210 nan 0.000 0.438 132 L N 7.728 129.031 121.223 0.134 0.000 2.333 132 L HA 0.644 4.979 4.340 -0.009 0.000 0.280 132 L C -0.948 175.946 176.870 0.040 0.000 1.004 132 L CA -0.094 54.824 54.840 0.130 0.000 0.820 132 L CB 1.290 43.447 42.059 0.163 0.000 1.247 132 L HN 0.453 nan 8.230 nan 0.000 0.416 133 L N 2.769 124.007 121.223 0.025 0.000 2.235 133 L HA 0.567 4.902 4.340 -0.009 0.000 0.260 133 L C -0.616 176.251 176.870 -0.006 0.000 1.025 133 L CA -0.961 53.875 54.840 -0.007 0.000 0.836 133 L CB 1.134 43.263 42.059 0.117 0.000 1.395 133 L HN 0.294 nan 8.230 nan 0.000 0.443 134 F N 0.409 120.473 119.950 0.190 0.000 2.490 134 F HA 0.124 4.647 4.527 -0.006 0.000 0.336 134 F C 0.818 176.776 175.800 0.263 0.000 1.178 134 F CA 0.093 58.212 58.000 0.198 0.000 1.301 134 F CB 0.180 39.290 39.000 0.184 0.000 1.175 134 F HN 0.328 nan 8.300 nan 0.000 0.593 135 N N 2.992 121.978 118.700 0.477 0.000 2.776 135 N HA 0.304 5.039 4.740 -0.009 0.000 0.245 135 N C -2.302 173.505 175.510 0.496 0.000 1.121 135 N CA -2.097 51.236 53.050 0.472 0.000 0.852 135 N CB 1.087 39.773 38.487 0.331 0.000 1.142 135 N HN 0.077 nan 8.380 nan 0.000 0.514 136 P HA -0.003 nan 4.420 nan 0.000 0.228 136 P C 0.970 178.353 177.300 0.139 0.000 1.151 136 P CA 0.803 64.014 63.100 0.185 0.000 0.770 136 P CB 0.155 31.783 31.700 -0.120 0.000 0.786 137 W N -1.463 119.972 121.300 0.225 0.000 2.863 137 W HA 0.202 4.857 4.660 -0.007 0.000 0.258 137 W C 0.372 177.090 176.519 0.332 0.000 1.298 137 W CA -0.248 57.235 57.345 0.229 0.000 1.451 137 W CB -0.006 29.516 29.460 0.103 0.000 1.107 137 W HN -0.070 nan 8.180 nan 0.000 0.641 138 L N 3.301 124.817 121.223 0.488 0.000 2.260 138 L HA 0.094 4.429 4.340 -0.009 0.000 0.289 138 L C 1.458 178.260 176.870 -0.114 0.000 1.057 138 L CA 0.036 54.989 54.840 0.189 0.000 0.811 138 L CB 0.440 42.586 42.059 0.145 0.000 1.184 138 L HN -0.056 nan 8.230 nan 0.000 0.429 139 N N 4.043 122.340 118.700 -0.672 0.000 2.258 139 N HA -0.205 4.529 4.740 -0.009 0.000 0.187 139 N C 0.976 176.135 175.510 -0.586 0.000 1.012 139 N CA 1.987 54.178 53.050 -1.432 0.000 0.870 139 N CB -0.578 37.333 38.487 -0.961 0.000 0.977 139 N HN 0.542 nan 8.380 nan 0.000 0.434 140 V N -3.768 115.998 119.914 -0.247 0.000 3.647 140 V HA 0.165 4.280 4.120 -0.009 0.000 0.279 140 V C 0.512 176.613 176.094 0.012 0.000 1.314 140 V CA -0.239 62.005 62.300 -0.093 0.000 1.125 140 V CB -0.537 31.246 31.823 -0.067 0.000 0.907 140 V HN -0.042 nan 8.190 nan 0.000 0.434 141 D N 1.678 122.123 120.400 0.075 0.000 2.345 141 D HA 0.145 4.780 4.640 -0.009 0.000 0.247 141 D C 1.536 177.956 176.300 0.201 0.000 1.108 141 D CA 0.928 55.030 54.000 0.170 0.000 0.894 141 D CB 2.184 43.135 40.800 0.252 0.000 1.203 141 D HN 0.390 nan 8.370 nan 0.000 0.430 142 S N 1.597 117.400 115.700 0.172 0.000 2.442 142 S HA -0.167 4.298 4.470 -0.009 0.000 0.236 142 S C 1.710 176.408 174.600 0.164 0.000 1.007 142 S CA 1.081 59.364 58.200 0.138 0.000 0.965 142 S CB -0.498 62.755 63.200 0.087 0.000 0.773 142 S HN 0.448 nan 8.310 nan 0.000 0.504 143 V N -2.230 117.805 119.914 0.201 0.000 3.514 143 V HA 0.451 4.566 4.120 -0.009 0.000 0.301 143 V C 0.471 176.764 176.094 0.333 0.000 1.346 143 V CA -0.995 61.444 62.300 0.232 0.000 1.156 143 V CB -1.692 30.211 31.823 0.134 0.000 1.029 143 V HN 0.316 nan 8.190 nan 0.000 0.428 144 F N 2.606 122.667 119.950 0.184 0.000 2.623 144 F HA 0.359 4.883 4.527 -0.005 0.000 0.383 144 F C 0.110 176.043 175.800 0.221 0.000 1.077 144 F CA -0.031 58.062 58.000 0.156 0.000 1.268 144 F CB 0.532 39.605 39.000 0.122 0.000 1.053 144 F HN 0.275 nan 8.300 nan 0.000 0.571 145 M N 6.927 126.068 119.600 -0.767 0.000 2.060 145 M HA 0.328 4.803 4.480 -0.009 0.000 0.275 145 M C 0.567 176.163 176.300 -1.173 0.000 0.919 145 M CA -0.216 54.546 55.300 -0.896 0.000 0.970 145 M CB 1.256 33.366 32.600 -0.815 0.000 1.670 145 M HN 0.751 nan 8.290 nan 0.000 0.440 146 G N 3.280 111.306 108.800 -1.290 0.000 2.471 146 G HA2 -0.138 3.817 3.960 -0.009 0.000 0.219 146 G HA3 -0.138 3.817 3.960 -0.009 0.000 0.219 146 G C 0.555 175.257 174.900 -0.330 0.000 1.125 146 G CA 0.037 44.698 45.100 -0.731 0.000 0.775 146 G HN 0.706 nan 8.290 nan 0.000 0.548 147 N N -0.029 118.464 118.700 -0.346 0.000 2.470 147 N HA 0.027 4.762 4.740 -0.009 0.000 0.268 147 N C 1.057 176.431 175.510 -0.226 0.000 1.136 147 N CA -0.274 52.648 53.050 -0.212 0.000 0.961 147 N CB 0.912 39.279 38.487 -0.200 0.000 1.067 147 N HN 0.246 nan 8.380 nan 0.000 0.468 148 H N 4.539 123.497 119.070 -0.186 0.000 2.265 148 H HA -0.140 4.413 4.556 -0.005 0.000 0.295 148 H C 1.768 176.988 175.328 -0.181 0.000 1.084 148 H CA 2.902 58.849 56.048 -0.168 0.000 1.261 148 H CB -0.040 29.675 29.762 -0.079 0.000 1.360 148 H HN 0.733 nan 8.280 nan 0.000 0.487 149 A N 0.627 123.332 122.820 -0.192 0.000 1.883 149 A HA -0.227 4.088 4.320 -0.009 0.000 0.217 149 A C 2.291 179.663 177.584 -0.353 0.000 1.186 149 A CA 2.017 53.913 52.037 -0.235 0.000 0.624 149 A CB -0.631 18.315 19.000 -0.090 0.000 0.822 149 A HN 0.730 nan 8.150 nan 0.000 0.444 150 E N -0.934 119.063 120.200 -0.340 0.000 2.051 150 E HA -0.208 4.137 4.350 -0.009 0.000 0.192 150 E C 2.339 178.648 176.600 -0.485 0.000 0.991 150 E CA 1.109 57.239 56.400 -0.451 0.000 0.799 150 E CB -0.229 29.336 29.700 -0.225 0.000 0.748 150 E HN 0.588 nan 8.360 nan 0.000 0.449 151 R N 1.035 121.268 120.500 -0.445 0.000 2.091 151 R HA -0.186 4.149 4.340 -0.009 0.000 0.238 151 R C 1.989 178.045 176.300 -0.407 0.000 1.136 151 R CA 1.348 57.160 56.100 -0.480 0.000 0.959 151 R CB 0.029 29.903 30.300 -0.710 0.000 0.856 151 R HN 0.101 nan 8.270 nan 0.000 0.437 152 E N 0.363 120.300 120.200 -0.439 0.000 2.110 152 E HA -0.222 4.123 4.350 -0.009 0.000 0.193 152 E C 1.782 178.264 176.600 -0.197 0.000 0.988 152 E CA 1.347 57.576 56.400 -0.285 0.000 0.804 152 E CB -0.046 29.448 29.700 -0.344 0.000 0.745 152 E HN 0.421 nan 8.360 nan 0.000 0.458 153 E N -0.141 119.858 120.200 -0.336 0.000 2.112 153 E HA -0.125 4.220 4.350 -0.009 0.000 0.190 153 E C 1.244 177.714 176.600 -0.217 0.000 0.979 153 E CA 0.870 57.066 56.400 -0.340 0.000 0.814 153 E CB -0.157 29.176 29.700 -0.612 0.000 0.762 153 E HN 0.222 nan 8.360 nan 0.000 0.460 154 Y N -0.983 119.286 120.300 -0.051 0.000 2.466 154 Y HA 0.228 4.772 4.550 -0.010 0.000 0.272 154 Y C 1.481 177.367 175.900 -0.024 0.000 1.169 154 Y CA 0.003 58.093 58.100 -0.017 0.000 1.285 154 Y CB 0.521 39.012 38.460 0.051 0.000 1.078 154 Y HN -0.023 nan 8.280 nan 0.000 0.523 155 V N -1.682 118.286 119.914 0.089 0.000 3.103 155 V HA -0.013 4.102 4.120 -0.009 0.000 0.229 155 V C 1.617 177.833 176.094 0.204 0.000 1.304 155 V CA 0.455 62.829 62.300 0.124 0.000 1.298 155 V CB 0.254 32.119 31.823 0.069 0.000 1.093 155 V HN 0.025 nan 8.190 nan 0.000 0.489 156 Q N 0.385 120.309 119.800 0.206 0.000 2.398 156 Q HA 0.100 4.435 4.340 -0.009 0.000 0.204 156 Q C 0.762 176.974 176.000 0.353 0.000 0.932 156 Q CA 0.281 56.289 55.803 0.343 0.000 0.916 156 Q CB 0.224 29.096 28.738 0.223 0.000 1.024 156 Q HN 0.550 nan 8.270 nan 0.000 0.504 157 E N 2.714 123.041 120.200 0.211 0.000 2.223 157 E HA -0.000 4.344 4.350 -0.009 0.000 0.282 157 E C -0.158 176.623 176.600 0.301 0.000 1.046 157 E CA -0.079 56.456 56.400 0.225 0.000 0.857 157 E CB 0.627 30.415 29.700 0.147 0.000 1.055 157 E HN 0.079 nan 8.360 nan 0.000 0.409 158 D N 2.835 123.444 120.400 0.348 0.000 2.363 158 D HA 0.174 4.809 4.640 -0.009 0.000 0.214 158 D C -0.303 176.193 176.300 0.328 0.000 1.093 158 D CA -0.289 53.917 54.000 0.343 0.000 0.837 158 D CB 0.237 41.209 40.800 0.287 0.000 0.948 158 D HN 0.252 nan 8.370 nan 0.000 0.507 159 A N -0.054 122.930 122.820 0.274 0.000 2.343 159 A HA 0.761 5.076 4.320 -0.009 0.000 0.316 159 A C 0.167 177.819 177.584 0.114 0.000 1.104 159 A CA -0.251 51.834 52.037 0.079 0.000 0.768 159 A CB 1.785 20.815 19.000 0.050 0.000 1.213 159 A HN 0.223 nan 8.150 nan 0.000 0.456 160 G N 0.423 109.130 108.800 -0.155 0.000 2.949 160 G HA2 0.661 4.616 3.960 -0.009 0.000 0.285 160 G HA3 0.661 4.616 3.960 -0.009 0.000 0.285 160 G C -1.345 173.505 174.900 -0.084 0.000 1.395 160 G CA -0.551 44.559 45.100 0.017 0.000 0.901 160 G HN 0.529 nan 8.290 nan 0.000 0.519 161 I N 0.419 120.953 120.570 -0.059 0.000 2.533 161 I HA 0.461 4.626 4.170 -0.009 0.000 0.290 161 I C -0.826 175.083 176.117 -0.348 0.000 1.056 161 I CA -0.604 60.546 61.300 -0.251 0.000 1.057 161 I CB 1.753 39.535 38.000 -0.362 0.000 1.240 161 I HN 0.314 nan 8.210 nan 0.000 0.423 162 I N 5.621 125.939 120.570 -0.420 0.000 2.418 162 I HA 0.342 4.507 4.170 -0.009 0.000 0.287 162 I C -0.688 175.100 176.117 -0.549 0.000 1.008 162 I CA -0.545 60.524 61.300 -0.386 0.000 1.104 162 I CB 1.561 39.422 38.000 -0.233 0.000 1.264 162 I HN 0.255 nan 8.210 nan 0.000 0.438 163 F N 6.332 126.167 119.950 -0.191 0.000 2.412 163 F HA 0.470 4.987 4.527 -0.018 0.000 0.348 163 F C 0.701 176.227 175.800 -0.456 0.000 1.102 163 F CA -0.218 57.660 58.000 -0.204 0.000 1.196 163 F CB 1.044 40.016 39.000 -0.046 0.000 1.144 163 F HN 0.220 nan 8.300 nan 0.000 0.541 164 V N -0.538 119.163 119.914 -0.355 0.000 3.109 164 V HA 1.038 5.153 4.120 -0.009 0.000 0.311 164 V C 0.263 176.136 176.094 -0.368 0.000 1.389 164 V CA -0.245 61.463 62.300 -0.988 0.000 1.034 164 V CB 0.937 32.129 31.823 -1.052 0.000 1.105 164 V HN 1.259 nan 8.190 nan 0.000 0.477 165 G N 0.462 109.086 108.800 -0.293 0.000 2.603 165 G HA2 0.248 4.203 3.960 -0.009 0.000 0.245 165 G HA3 0.248 4.203 3.960 -0.009 0.000 0.245 165 G C 0.137 175.304 174.900 0.445 0.000 1.195 165 G CA 0.541 45.728 45.100 0.144 0.000 0.953 165 G HN 2.718 nan 8.290 nan 0.000 0.566 166 S N -2.432 113.490 115.700 0.370 0.000 2.643 166 S HA 0.665 5.129 4.470 -0.009 0.000 0.270 166 S C 1.105 175.732 174.600 0.045 0.000 1.166 166 S CA 0.854 59.297 58.200 0.406 0.000 0.815 166 S CB 1.045 64.422 63.200 0.295 0.000 1.139 166 S HN 2.391 nan 8.310 nan 0.000 0.472 167 T N -0.726 113.872 114.554 0.074 0.000 2.977 167 T HA -0.062 4.282 4.350 -0.009 0.000 0.271 167 T C 0.946 175.611 174.700 -0.057 0.000 1.105 167 T CA 1.706 63.783 62.100 -0.038 0.000 1.116 167 T CB -1.072 67.916 68.868 0.200 0.000 0.878 167 T HN 0.676 nan 8.240 nan 0.000 0.509 168 N N 0.485 119.179 118.700 -0.009 0.000 2.373 168 N HA 0.168 4.903 4.740 -0.009 0.000 0.181 168 N C 0.738 176.208 175.510 -0.067 0.000 1.082 168 N CA -0.001 53.038 53.050 -0.019 0.000 0.885 168 N CB 0.276 38.781 38.487 0.030 0.000 0.977 168 N HN 0.262 nan 8.380 nan 0.000 0.462 169 R N 1.209 121.658 120.500 -0.085 0.000 3.130 169 R HA 0.231 4.565 4.340 -0.009 0.000 0.261 169 R C -1.724 174.519 176.300 -0.096 0.000 1.683 169 R CA -0.261 55.788 56.100 -0.086 0.000 1.095 169 R CB 0.207 30.493 30.300 -0.024 0.000 1.421 169 R HN 0.022 nan 8.270 nan 0.000 0.454 170 I N 3.294 123.746 120.570 -0.196 0.000 2.452 170 I HA 0.282 4.447 4.170 -0.009 0.000 0.287 170 I C 1.059 177.160 176.117 -0.027 0.000 1.079 170 I CA 0.095 61.301 61.300 -0.158 0.000 1.387 170 I CB 1.358 39.152 38.000 -0.342 0.000 1.404 170 I HN 0.607 nan 8.210 nan 0.000 0.522 171 G N 6.745 115.562 108.800 0.029 0.000 2.820 171 G HA2 0.895 4.850 3.960 -0.009 0.000 0.291 171 G HA3 0.895 4.850 3.960 -0.009 0.000 0.291 171 G C -0.761 174.149 174.900 0.017 0.000 1.323 171 G CA -0.793 44.311 45.100 0.006 0.000 1.055 171 G HN 0.616 nan 8.290 nan 0.000 0.520 172 M N -1.072 118.478 119.600 -0.083 0.000 2.644 172 M HA 0.757 5.232 4.480 -0.009 0.000 0.273 172 M C -1.501 174.663 176.300 -0.228 0.000 1.253 172 M CA -0.997 54.168 55.300 -0.225 0.000 0.852 172 M CB 2.412 34.839 32.600 -0.288 0.000 1.708 172 M HN 0.626 nan 8.290 nan 0.000 0.471 173 I N -0.897 119.508 120.570 -0.274 0.000 2.802 173 I HA 0.902 5.067 4.170 -0.009 0.000 0.298 173 I C -0.215 175.826 176.117 -0.127 0.000 1.176 173 I CA -0.914 60.282 61.300 -0.173 0.000 1.025 173 I CB 2.179 40.076 38.000 -0.173 0.000 1.243 173 I HN 0.855 nan 8.210 nan 0.000 0.424 174 G N 3.541 112.299 108.800 -0.071 0.000 2.503 174 G HA2 0.367 4.321 3.960 -0.009 0.000 0.257 174 G HA3 0.367 4.321 3.960 -0.009 0.000 0.257 174 G C -1.669 173.250 174.900 0.032 0.000 1.214 174 G CA -0.400 44.664 45.100 -0.060 0.000 0.839 174 G HN 0.788 nan 8.290 nan 0.000 0.559 175 W N 2.253 123.380 121.300 -0.288 0.000 3.259 175 W HA 0.316 5.069 4.660 0.155 0.000 0.331 175 W C -1.363 174.846 176.519 -0.517 0.000 1.144 175 W CA -0.966 56.167 57.345 -0.353 0.000 1.227 175 W CB 2.062 31.278 29.460 -0.407 0.000 1.371 175 W HN 0.502 nan 8.180 nan 0.000 0.491 176 N N 4.635 122.910 118.700 -0.709 0.000 2.558 176 N HA 0.177 4.912 4.740 -0.009 0.000 0.233 176 N C 0.396 175.709 175.510 -0.328 0.000 1.038 176 N CA -0.147 52.638 53.050 -0.442 0.000 0.934 176 N CB -0.100 38.194 38.487 -0.323 0.000 1.175 176 N HN 0.317 nan 8.380 nan 0.000 0.512 177 F N 2.221 122.232 119.950 0.102 0.000 2.146 177 F HA 0.070 4.552 4.527 -0.075 0.000 0.298 177 F C 2.085 177.902 175.800 0.028 0.000 1.096 177 F CA 0.559 58.652 58.000 0.155 0.000 1.275 177 F CB -0.253 38.829 39.000 0.137 0.000 1.008 177 F HN 0.628 nan 8.300 nan 0.000 0.480 178 G N 1.222 110.115 108.800 0.155 0.000 2.341 178 G HA2 -0.351 3.604 3.960 -0.009 0.000 0.292 178 G HA3 -0.351 3.604 3.960 -0.009 0.000 0.292 178 G C 1.104 176.007 174.900 0.004 0.000 1.021 178 G CA 0.676 45.818 45.100 0.069 0.000 0.905 178 G HN 0.543 nan 8.290 nan 0.000 0.508 179 Q N -1.054 118.649 119.800 -0.162 0.000 2.364 179 Q HA -0.049 4.286 4.340 -0.009 0.000 0.209 179 Q C 1.611 177.450 176.000 -0.268 0.000 0.977 179 Q CA 1.480 57.131 55.803 -0.254 0.000 0.885 179 Q CB -0.264 28.217 28.738 -0.428 0.000 0.941 179 Q HN 0.631 nan 8.270 nan 0.000 0.464 180 F N 1.394 121.378 119.950 0.056 0.000 2.749 180 F HA 0.286 4.813 4.527 0.001 0.000 0.300 180 F C 0.741 176.610 175.800 0.115 0.000 1.103 180 F CA -0.499 57.500 58.000 -0.001 0.000 1.342 180 F CB 0.119 39.018 39.000 -0.168 0.000 1.098 180 F HN -0.126 nan 8.300 nan 0.000 0.586 181 E N 1.415 121.746 120.200 0.218 0.000 2.404 181 E HA -0.050 4.295 4.350 -0.009 0.000 0.261 181 E C 0.476 177.176 176.600 0.166 0.000 1.074 181 E CA -0.119 56.381 56.400 0.166 0.000 0.917 181 E CB 0.390 30.154 29.700 0.107 0.000 0.965 181 E HN 0.118 nan 8.360 nan 0.000 0.433 182 E N 1.516 121.793 120.200 0.130 0.000 2.652 182 E HA -0.193 4.152 4.350 -0.009 0.000 0.255 182 E C 0.071 176.729 176.600 0.096 0.000 0.952 182 E CA 0.698 57.164 56.400 0.110 0.000 0.947 182 E CB 0.176 29.923 29.700 0.079 0.000 0.912 182 E HN 0.489 nan 8.360 nan 0.000 0.489 183 D N 2.443 122.899 120.400 0.093 0.000 2.705 183 D HA -0.244 4.391 4.640 -0.009 0.000 0.187 183 D C 1.106 177.456 176.300 0.083 0.000 1.015 183 D CA 1.189 55.231 54.000 0.071 0.000 1.030 183 D CB -0.798 40.034 40.800 0.053 0.000 1.100 183 D HN 0.450 nan 8.370 nan 0.000 0.439 184 I N 0.236 120.872 120.570 0.111 0.000 2.226 184 I HA -0.180 3.984 4.170 -0.009 0.000 0.245 184 I C 2.572 178.756 176.117 0.110 0.000 1.100 184 I CA 1.040 62.409 61.300 0.114 0.000 1.374 184 I CB -1.076 36.998 38.000 0.123 0.000 1.057 184 I HN 0.279 nan 8.210 nan 0.000 0.413 185 L N 0.575 121.870 121.223 0.120 0.000 2.017 185 L HA -0.184 4.151 4.340 -0.009 0.000 0.208 185 L C 2.777 179.646 176.870 -0.003 0.000 1.073 185 L CA 2.124 56.980 54.840 0.028 0.000 0.745 185 L CB -0.939 41.018 42.059 -0.170 0.000 0.894 185 L HN 0.171 nan 8.230 nan 0.000 0.432 186 S N -0.569 115.131 115.700 0.001 0.000 2.359 186 S HA -0.206 4.259 4.470 -0.009 0.000 0.224 186 S C 2.061 176.677 174.600 0.026 0.000 1.035 186 S CA 1.868 60.065 58.200 -0.006 0.000 1.018 186 S CB -0.502 62.696 63.200 -0.004 0.000 0.876 186 S HN 0.511 nan 8.310 nan 0.000 0.448 187 I N 0.830 121.439 120.570 0.065 0.000 2.226 187 I HA -0.205 3.960 4.170 -0.009 0.000 0.245 187 I C 2.552 178.755 176.117 0.143 0.000 1.100 187 I CA 1.008 62.384 61.300 0.127 0.000 1.374 187 I CB -0.602 37.499 38.000 0.169 0.000 1.057 187 I HN 0.423 nan 8.210 nan 0.000 0.413 188 C N 0.658 120.014 119.300 0.093 0.000 2.425 188 C HA -0.120 4.335 4.460 -0.009 0.000 0.277 188 C C 2.747 177.770 174.990 0.054 0.000 1.280 188 C CA 0.557 59.616 59.018 0.069 0.000 1.744 188 C CB -0.992 26.788 27.740 0.066 0.000 1.989 188 C HN 0.458 nan 8.230 nan 0.000 0.491 189 L N 1.493 122.734 121.223 0.031 0.000 2.093 189 L HA -0.122 4.213 4.340 -0.009 0.000 0.208 189 L C 2.754 179.618 176.870 -0.009 0.000 1.085 189 L CA 1.895 56.736 54.840 0.002 0.000 0.755 189 L CB -0.594 41.446 42.059 -0.032 0.000 0.904 189 L HN 0.486 nan 8.230 nan 0.000 0.435 190 S N -0.179 115.530 115.700 0.014 0.000 2.447 190 S HA -0.124 4.341 4.470 -0.009 0.000 0.233 190 S C 1.873 176.503 174.600 0.050 0.000 1.006 190 S CA 0.660 58.859 58.200 -0.001 0.000 0.957 190 S CB -0.593 62.618 63.200 0.017 0.000 0.773 190 S HN 0.378 nan 8.310 nan 0.000 0.507 191 I N 1.520 122.166 120.570 0.126 0.000 2.286 191 I HA -0.160 4.005 4.170 -0.009 0.000 0.248 191 I C 2.218 178.357 176.117 0.036 0.000 1.115 191 I CA 1.189 62.573 61.300 0.140 0.000 1.392 191 I CB -0.430 37.584 38.000 0.025 0.000 1.065 191 I HN 0.325 nan 8.210 nan 0.000 0.418 192 L N 0.067 121.283 121.223 -0.012 0.000 2.191 192 L HA -0.183 4.152 4.340 -0.009 0.000 0.212 192 L C 1.199 177.956 176.870 -0.188 0.000 1.103 192 L CA 1.029 55.853 54.840 -0.026 0.000 0.769 192 L CB -0.642 41.428 42.059 0.018 0.000 0.908 192 L HN 0.284 nan 8.230 nan 0.000 0.438 193 D N -0.027 120.132 120.400 -0.401 0.000 2.319 193 D HA 0.020 4.655 4.640 -0.009 0.000 0.230 193 D C 1.465 177.401 176.300 -0.607 0.000 1.094 193 D CA 0.301 53.665 54.000 -1.059 0.000 0.856 193 D CB 0.363 40.651 40.800 -0.854 0.000 0.915 193 D HN 0.209 nan 8.370 nan 0.000 0.517 194 R N 0.026 120.426 120.500 -0.167 0.000 2.541 194 R HA 0.098 4.433 4.340 -0.009 0.000 0.332 194 R C 0.740 177.115 176.300 0.125 0.000 0.951 194 R CA -0.037 56.087 56.100 0.040 0.000 1.136 194 R CB 0.467 30.854 30.300 0.144 0.000 1.449 194 R HN 0.092 nan 8.270 nan 0.000 0.531 195 S N -0.242 115.531 115.700 0.122 0.000 2.608 195 S HA 0.206 4.671 4.470 -0.009 0.000 0.261 195 S C 1.595 176.292 174.600 0.162 0.000 1.314 195 S CA -0.515 57.761 58.200 0.126 0.000 0.992 195 S CB 0.965 64.221 63.200 0.093 0.000 0.935 195 S HN 0.103 nan 8.310 nan 0.000 0.564 196 L N 1.106 122.397 121.223 0.113 0.000 2.083 196 L HA -0.139 4.196 4.340 -0.009 0.000 0.209 196 L C 2.237 179.179 176.870 0.120 0.000 1.083 196 L CA 1.412 56.315 54.840 0.105 0.000 0.752 196 L CB -0.977 41.122 42.059 0.067 0.000 0.899 196 L HN 0.674 nan 8.230 nan 0.000 0.433 197 N N 0.145 118.921 118.700 0.128 0.000 2.058 197 N HA -0.244 4.491 4.740 -0.009 0.000 0.191 197 N C 1.643 177.276 175.510 0.206 0.000 1.037 197 N CA 1.388 54.536 53.050 0.164 0.000 0.848 197 N CB -0.576 38.030 38.487 0.198 0.000 1.021 197 N HN 0.178 nan 8.380 nan 0.000 0.422 198 F N 1.560 121.575 119.950 0.107 0.000 2.161 198 F HA -0.082 4.440 4.527 -0.008 0.000 0.300 198 F C 2.105 177.956 175.800 0.085 0.000 1.089 198 F CA 1.302 59.363 58.000 0.102 0.000 1.282 198 F CB 0.075 39.129 39.000 0.090 0.000 1.010 198 F HN -0.090 nan 8.300 nan 0.000 0.485 199 R N -0.464 120.170 120.500 0.222 0.000 2.115 199 R HA -0.090 4.245 4.340 -0.009 0.000 0.226 199 R C 2.305 178.621 176.300 0.027 0.000 1.100 199 R CA 1.209 57.380 56.100 0.119 0.000 0.980 199 R CB -0.320 30.069 30.300 0.149 0.000 0.875 199 R HN 0.189 nan 8.270 nan 0.000 0.445 200 R N 0.412 120.936 120.500 0.039 0.000 2.070 200 R HA -0.083 4.252 4.340 -0.009 0.000 0.232 200 R C 0.001 176.285 176.300 -0.027 0.000 1.138 200 R CA 1.637 57.747 56.100 0.016 0.000 0.936 200 R CB 0.147 30.470 30.300 0.038 0.000 0.839 200 R HN -0.008 nan 8.270 nan 0.000 0.429 201 D N -1.803 118.569 120.400 -0.047 0.000 2.323 201 D HA 0.210 4.845 4.640 -0.009 0.000 0.242 201 D C -0.101 176.105 176.300 -0.156 0.000 1.347 201 D CA 0.049 53.994 54.000 -0.092 0.000 0.988 201 D CB 1.419 42.187 40.800 -0.054 0.000 1.314 201 D HN 0.199 nan 8.370 nan 0.000 0.564 202 A N 3.107 125.738 122.820 -0.315 0.000 1.902 202 A HA 0.033 4.348 4.320 -0.009 0.000 0.217 202 A C 2.143 179.628 177.584 -0.165 0.000 1.181 202 A CA 1.949 53.624 52.037 -0.602 0.000 0.623 202 A CB -0.433 17.993 19.000 -0.957 0.000 0.818 202 A HN 0.606 nan 8.150 nan 0.000 0.443 203 A N -0.919 121.892 122.820 -0.015 0.000 1.865 203 A HA -0.135 4.180 4.320 -0.009 0.000 0.217 203 A C 2.328 179.909 177.584 -0.005 0.000 1.191 203 A CA 2.445 54.510 52.037 0.046 0.000 0.623 203 A CB -1.353 17.608 19.000 -0.065 0.000 0.826 203 A HN 0.431 nan 8.150 nan 0.000 0.444 204 T N -0.545 113.985 114.554 -0.041 0.000 2.821 204 T HA -0.107 4.238 4.350 -0.009 0.000 0.267 204 T C 1.651 176.311 174.700 -0.067 0.000 1.046 204 T CA 1.573 63.643 62.100 -0.050 0.000 1.139 204 T CB -0.397 68.445 68.868 -0.045 0.000 0.871 204 T HN 0.712 nan 8.240 nan 0.000 0.454 205 D N 0.984 121.389 120.400 0.008 0.000 2.104 205 D HA -0.108 4.527 4.640 -0.009 0.000 0.194 205 D C 2.035 178.381 176.300 0.077 0.000 0.994 205 D CA 0.998 55.066 54.000 0.113 0.000 0.830 205 D CB -0.287 40.694 40.800 0.302 0.000 0.959 205 D HN 0.158 nan 8.370 nan 0.000 0.452 206 V N 0.668 120.652 119.914 0.116 0.000 2.407 206 V HA -0.188 3.927 4.120 -0.009 0.000 0.248 206 V C 2.541 178.643 176.094 0.014 0.000 1.055 206 V CA 1.716 64.073 62.300 0.096 0.000 1.049 206 V CB -0.921 30.960 31.823 0.098 0.000 0.662 206 V HN 0.387 nan 8.190 nan 0.000 0.455 207 A N -0.673 122.135 122.820 -0.020 0.000 2.015 207 A HA -0.145 4.170 4.320 -0.009 0.000 0.219 207 A C 2.309 179.839 177.584 -0.091 0.000 1.163 207 A CA 1.864 53.883 52.037 -0.030 0.000 0.646 207 A CB -0.417 18.566 19.000 -0.028 0.000 0.806 207 A HN 0.504 nan 8.150 nan 0.000 0.448 208 S N -0.690 114.863 115.700 -0.244 0.000 2.593 208 S HA 0.053 4.518 4.470 -0.009 0.000 0.217 208 S C 1.386 175.837 174.600 -0.250 0.000 0.966 208 S CA -0.045 57.872 58.200 -0.472 0.000 0.914 208 S CB -0.127 62.283 63.200 -1.317 0.000 0.776 208 S HN 0.583 nan 8.310 nan 0.000 0.523 209 R N 2.040 122.523 120.500 -0.028 0.000 2.328 209 R HA 0.067 4.401 4.340 -0.009 0.000 0.200 209 R C 1.249 177.632 176.300 0.137 0.000 0.983 209 R CA 0.588 56.771 56.100 0.138 0.000 1.062 209 R CB -0.461 29.904 30.300 0.109 0.000 0.956 209 R HN 0.651 nan 8.270 nan 0.000 0.479 210 N N -0.828 117.945 118.700 0.121 0.000 2.280 210 N HA -0.046 4.689 4.740 -0.009 0.000 0.192 210 N C -0.317 175.362 175.510 0.280 0.000 1.109 210 N CA -0.249 52.899 53.050 0.164 0.000 0.855 210 N CB 0.436 38.992 38.487 0.116 0.000 0.974 210 N HN -0.111 nan 8.380 nan 0.000 0.482 211 D N 1.384 121.932 120.400 0.247 0.000 2.381 211 D HA 0.212 4.847 4.640 -0.009 0.000 0.235 211 D C -1.573 174.770 176.300 0.071 0.000 1.068 211 D CA -2.635 51.455 54.000 0.149 0.000 0.832 211 D CB 1.978 42.834 40.800 0.094 0.000 1.101 211 D HN -0.036 nan 8.370 nan 0.000 0.515 212 P HA -0.137 nan 4.420 nan 0.000 0.220 212 P C 0.807 177.606 177.300 -0.836 0.000 1.148 212 P CA 0.904 63.522 63.100 -0.803 0.000 0.803 212 P CB 0.611 31.549 31.700 -1.270 0.000 0.782 213 K N -0.931 119.070 120.400 -0.665 0.000 2.057 213 K HA -0.173 4.141 4.320 -0.009 0.000 0.206 213 K C 2.431 178.944 176.600 -0.145 0.000 1.050 213 K CA 1.311 57.395 56.287 -0.339 0.000 0.935 213 K CB -0.775 31.712 32.500 -0.022 0.000 0.715 213 K HN 0.124 nan 8.250 nan 0.000 0.439 214 Y N 1.862 122.069 120.300 -0.154 0.000 2.133 214 Y HA -0.247 4.301 4.550 -0.004 0.000 0.287 214 Y C 2.112 177.973 175.900 -0.066 0.000 1.134 214 Y CA 1.198 59.246 58.100 -0.087 0.000 1.133 214 Y CB -0.305 38.147 38.460 -0.013 0.000 0.987 214 Y HN -0.260 nan 8.280 nan 0.000 0.502 215 V N 0.245 120.214 119.914 0.092 0.000 2.332 215 V HA -0.300 3.815 4.120 -0.009 0.000 0.248 215 V C 2.578 178.633 176.094 -0.065 0.000 1.055 215 V CA 1.960 64.293 62.300 0.055 0.000 1.038 215 V CB -1.626 30.335 31.823 0.229 0.000 0.651 215 V HN 0.654 nan 8.190 nan 0.000 0.450 216 G N -0.483 108.253 108.800 -0.108 0.000 2.421 216 G HA2 -0.304 3.651 3.960 -0.009 0.000 0.216 216 G HA3 -0.304 3.651 3.960 -0.009 0.000 0.216 216 G C 1.713 176.558 174.900 -0.092 0.000 1.171 216 G CA 0.967 46.035 45.100 -0.053 0.000 0.775 216 G HN 0.435 nan 8.290 nan 0.000 0.543 217 R N -0.251 120.137 120.500 -0.187 0.000 2.081 217 R HA -0.037 4.298 4.340 -0.009 0.000 0.235 217 R C 2.654 178.806 176.300 -0.247 0.000 1.131 217 R CA 1.413 57.357 56.100 -0.259 0.000 0.960 217 R CB -0.410 29.629 30.300 -0.434 0.000 0.856 217 R HN 0.244 nan 8.270 nan 0.000 0.436 218 V N 1.165 120.890 119.914 -0.315 0.000 2.343 218 V HA -0.248 3.867 4.120 -0.009 0.000 0.247 218 V C 2.286 178.300 176.094 -0.133 0.000 1.051 218 V CA 1.694 63.836 62.300 -0.264 0.000 1.036 218 V CB -0.345 31.277 31.823 -0.334 0.000 0.654 218 V HN 0.367 nan 8.190 nan 0.000 0.451 219 L N 0.726 121.892 121.223 -0.095 0.000 2.141 219 L HA -0.131 4.204 4.340 -0.009 0.000 0.209 219 L C 2.634 179.481 176.870 -0.039 0.000 1.094 219 L CA 1.687 56.497 54.840 -0.050 0.000 0.763 219 L CB -0.642 41.408 42.059 -0.014 0.000 0.908 219 L HN 0.570 nan 8.230 nan 0.000 0.437 220 S N -0.397 115.277 115.700 -0.043 0.000 2.474 220 S HA -0.061 4.403 4.470 -0.009 0.000 0.235 220 S C 1.899 176.481 174.600 -0.029 0.000 0.997 220 S CA 0.718 58.905 58.200 -0.023 0.000 0.949 220 S CB -0.037 63.144 63.200 -0.031 0.000 0.766 220 S HN 0.356 nan 8.310 nan 0.000 0.517 221 A N 1.885 124.678 122.820 -0.045 0.000 1.887 221 A HA 0.395 4.710 4.320 -0.009 0.000 0.210 221 A C 2.212 179.790 177.584 -0.009 0.000 1.221 221 A CA 0.782 52.806 52.037 -0.020 0.000 0.635 221 A CB -0.504 18.474 19.000 -0.038 0.000 0.881 221 A HN 0.449 nan 8.150 nan 0.000 0.456 222 M N 0.254 119.834 119.600 -0.034 0.000 2.460 222 M HA -0.000 4.475 4.480 -0.009 0.000 0.263 222 M C 1.471 177.696 176.300 -0.125 0.000 1.071 222 M CA 0.855 56.121 55.300 -0.057 0.000 1.096 222 M CB -0.837 31.726 32.600 -0.062 0.000 1.408 222 M HN 0.278 nan 8.290 nan 0.000 0.463 223 I N 0.681 121.204 120.570 -0.078 0.000 2.928 223 I HA -0.134 4.031 4.170 -0.009 0.000 0.266 223 I C 0.539 176.687 176.117 0.053 0.000 1.234 223 I CA 0.444 61.700 61.300 -0.074 0.000 1.483 223 I CB -1.488 36.521 38.000 0.016 0.000 1.097 223 I HN 0.332 nan 8.210 nan 0.000 0.455 224 N N -0.731 118.024 118.700 0.092 0.000 2.417 224 N HA 0.101 4.835 4.740 -0.009 0.000 0.300 224 N C 0.764 176.331 175.510 0.095 0.000 1.102 224 N CA -0.181 52.991 53.050 0.203 0.000 0.886 224 N CB 0.961 39.479 38.487 0.053 0.000 1.203 224 N HN -0.076 nan 8.380 nan 0.000 0.496 225 S N 0.428 116.201 115.700 0.120 0.000 2.481 225 S HA -0.067 4.398 4.470 -0.009 0.000 0.231 225 S C 0.313 174.970 174.600 0.096 0.000 0.996 225 S CA -0.256 58.006 58.200 0.103 0.000 0.942 225 S CB -0.805 62.465 63.200 0.117 0.000 0.768 225 S HN 0.642 nan 8.310 nan 0.000 0.520 226 N N 2.863 121.601 118.700 0.064 0.000 2.412 226 N HA -0.023 4.712 4.740 -0.009 0.000 0.254 226 N C -0.203 175.392 175.510 0.142 0.000 1.232 226 N CA 1.041 54.132 53.050 0.067 0.000 0.880 226 N CB 0.242 38.690 38.487 -0.066 0.000 1.076 226 N HN 0.318 nan 8.380 nan 0.000 0.458 227 D N 0.393 120.885 120.400 0.153 0.000 2.382 227 D HA -0.232 4.403 4.640 -0.009 0.000 0.163 227 D C 0.156 176.522 176.300 0.109 0.000 1.469 227 D CA 2.112 56.194 54.000 0.136 0.000 1.338 227 D CB -0.856 40.032 40.800 0.147 0.000 1.241 227 D HN 0.812 nan 8.370 nan 0.000 0.441 228 D N -0.618 119.849 120.400 0.112 0.000 2.556 228 D HA 0.194 4.829 4.640 -0.009 0.000 0.237 228 D C -0.224 176.161 176.300 0.142 0.000 1.296 228 D CA -0.012 54.057 54.000 0.114 0.000 0.807 228 D CB -0.839 40.022 40.800 0.102 0.000 1.084 228 D HN 0.389 nan 8.370 nan 0.000 0.510 229 N N 0.034 118.823 118.700 0.148 0.000 2.783 229 N HA -0.106 4.629 4.740 -0.009 0.000 0.247 229 N C 0.642 176.325 175.510 0.288 0.000 1.089 229 N CA 0.133 53.303 53.050 0.200 0.000 0.690 229 N CB -0.943 37.655 38.487 0.184 0.000 0.991 229 N HN 0.477 nan 8.380 nan 0.000 0.552 230 G N -0.439 108.460 108.800 0.165 0.000 2.583 230 G HA2 0.281 4.236 3.960 -0.009 0.000 0.275 230 G HA3 0.281 4.236 3.960 -0.009 0.000 0.275 230 G C 1.235 176.059 174.900 -0.127 0.000 1.342 230 G CA -0.017 45.100 45.100 0.028 0.000 1.030 230 G HN 0.065 nan 8.290 nan 0.000 0.520 231 V N -0.398 119.197 119.914 -0.532 0.000 2.255 231 V HA 0.050 4.165 4.120 -0.009 0.000 0.243 231 V C 1.201 177.107 176.094 -0.314 0.000 1.038 231 V CA 1.231 63.039 62.300 -0.820 0.000 1.008 231 V CB -0.762 30.554 31.823 -0.845 0.000 0.645 231 V HN 0.279 nan 8.190 nan 0.000 0.449 232 L N -0.036 121.075 121.223 -0.186 0.000 2.334 232 L HA 0.713 5.048 4.340 -0.009 0.000 0.276 232 L C -0.161 176.734 176.870 0.041 0.000 1.014 232 L CA -0.410 54.322 54.840 -0.180 0.000 0.815 232 L CB 1.541 43.269 42.059 -0.552 0.000 1.268 232 L HN 0.152 nan 8.230 nan 0.000 0.428 233 A N 2.094 124.930 122.820 0.026 0.000 2.249 233 A HA 0.662 4.977 4.320 -0.009 0.000 0.314 233 A C 0.326 178.054 177.584 0.241 0.000 1.290 233 A CA -0.336 51.808 52.037 0.178 0.000 0.893 233 A CB 0.481 19.587 19.000 0.176 0.000 1.165 233 A HN 0.757 nan 8.150 nan 0.000 0.530 234 G N 1.069 110.091 108.800 0.370 0.000 2.527 234 G HA2 0.428 4.382 3.960 -0.009 0.000 0.248 234 G HA3 0.428 4.382 3.960 -0.009 0.000 0.248 234 G C -0.188 174.764 174.900 0.086 0.000 1.231 234 G CA -0.406 44.841 45.100 0.244 0.000 0.838 234 G HN 0.911 nan 8.290 nan 0.000 0.570 235 N N 0.355 118.875 118.700 -0.301 0.000 2.697 235 N HA 0.117 4.851 4.740 -0.009 0.000 0.271 235 N C -0.631 174.774 175.510 -0.175 0.000 1.149 235 N CA -0.749 52.229 53.050 -0.120 0.000 0.939 235 N CB 1.008 39.315 38.487 -0.301 0.000 1.534 235 N HN 0.602 nan 8.380 nan 0.000 0.556 236 W N 2.923 124.264 121.300 0.069 0.000 2.570 236 W HA 0.140 4.782 4.660 -0.031 0.000 0.410 236 W C 1.404 177.918 176.519 -0.009 0.000 0.889 236 W CA -0.270 57.091 57.345 0.026 0.000 2.386 236 W CB 0.642 30.001 29.460 -0.169 0.000 1.228 236 W HN 0.598 nan 8.180 nan 0.000 0.692 237 S N -0.795 114.967 115.700 0.103 0.000 2.458 237 S HA 0.194 4.659 4.470 -0.009 0.000 0.223 237 S C 1.800 176.324 174.600 -0.126 0.000 1.019 237 S CA 1.180 59.357 58.200 -0.039 0.000 0.937 237 S CB 0.287 63.410 63.200 -0.128 0.000 0.788 237 S HN 0.351 nan 8.310 nan 0.000 0.511 238 G N 0.106 108.734 108.800 -0.286 0.000 2.213 238 G HA2 -0.193 3.762 3.960 -0.009 0.000 0.226 238 G HA3 -0.193 3.762 3.960 -0.009 0.000 0.226 238 G C 0.204 174.677 174.900 -0.713 0.000 0.992 238 G CA 0.234 45.163 45.100 -0.285 0.000 0.632 238 G HN 0.991 nan 8.290 nan 0.000 0.511 239 T N -0.074 113.920 114.554 -0.934 0.000 2.815 239 T HA 0.636 4.981 4.350 -0.009 0.000 0.289 239 T C -0.101 174.051 174.700 -0.913 0.000 1.000 239 T CA -0.517 61.160 62.100 -0.705 0.000 0.958 239 T CB 0.625 69.308 68.868 -0.308 0.000 0.944 239 T HN 0.324 nan 8.240 nan 0.000 0.442 240 Y N 2.588 122.855 120.300 -0.055 0.000 2.720 240 Y HA 0.237 4.786 4.550 -0.002 0.000 0.268 240 Y C 1.612 177.610 175.900 0.164 0.000 1.142 240 Y CA -0.937 57.149 58.100 -0.024 0.000 1.193 240 Y CB -0.482 38.012 38.460 0.057 0.000 1.176 240 Y HN 0.672 nan 8.280 nan 0.000 0.542 241 T N -1.970 112.665 114.554 0.136 0.000 2.937 241 T HA 0.347 4.692 4.350 -0.009 0.000 0.316 241 T C 1.477 176.313 174.700 0.226 0.000 1.079 241 T CA 0.693 62.875 62.100 0.136 0.000 1.131 241 T CB 1.053 69.955 68.868 0.057 0.000 1.000 241 T HN 0.869 nan 8.240 nan 0.000 0.549 242 G N 0.917 109.812 108.800 0.158 0.000 2.176 242 G HA2 0.183 4.138 3.960 -0.009 0.000 0.253 242 G HA3 0.183 4.138 3.960 -0.009 0.000 0.253 242 G C 0.431 175.375 174.900 0.073 0.000 0.979 242 G CA 0.042 45.222 45.100 0.134 0.000 0.641 242 G HN 1.741 nan 8.290 nan 0.000 0.530 243 G N -1.325 107.552 108.800 0.130 0.000 2.664 243 G HA2 0.658 4.613 3.960 -0.009 0.000 0.303 243 G HA3 0.658 4.613 3.960 -0.009 0.000 0.303 243 G C -1.059 173.862 174.900 0.036 0.000 1.243 243 G CA -0.631 44.431 45.100 -0.063 0.000 0.826 243 G HN 0.449 nan 8.290 nan 0.000 0.498 244 R N 0.422 120.906 120.500 -0.027 0.000 2.589 244 R HA 0.349 4.684 4.340 -0.009 0.000 0.293 244 R C -1.145 175.072 176.300 -0.139 0.000 0.963 244 R CA -0.803 55.188 56.100 -0.180 0.000 0.905 244 R CB 2.016 31.956 30.300 -0.600 0.000 1.144 244 R HN 0.547 nan 8.270 nan 0.000 0.459 245 D N 3.375 123.665 120.400 -0.184 0.000 2.487 245 D HA -0.007 4.628 4.640 -0.009 0.000 0.243 245 D C -1.577 174.490 176.300 -0.388 0.000 1.154 245 D CA -1.491 52.311 54.000 -0.329 0.000 0.876 245 D CB 1.347 42.083 40.800 -0.108 0.000 1.161 245 D HN 0.175 nan 8.370 nan 0.000 0.478 246 P HA -0.146 nan 4.420 nan 0.000 0.217 246 P C 1.177 178.586 177.300 0.182 0.000 1.148 246 P CA 1.014 64.033 63.100 -0.136 0.000 0.834 246 P CB 0.232 31.690 31.700 -0.403 0.000 0.783 247 R N -0.425 120.191 120.500 0.193 0.000 2.237 247 R HA -0.013 4.322 4.340 -0.009 0.000 0.219 247 R C 2.166 178.571 176.300 0.175 0.000 1.080 247 R CA 1.540 57.857 56.100 0.362 0.000 0.995 247 R CB -1.164 29.270 30.300 0.223 0.000 0.875 247 R HN 0.359 nan 8.270 nan 0.000 0.462 248 S N -0.776 114.892 115.700 -0.054 0.000 2.489 248 S HA -0.073 4.391 4.470 -0.009 0.000 0.228 248 S C 0.564 175.072 174.600 -0.152 0.000 0.995 248 S CA -0.346 57.754 58.200 -0.168 0.000 0.934 248 S CB -0.255 62.746 63.200 -0.330 0.000 0.771 248 S HN 0.239 nan 8.310 nan 0.000 0.522 249 W N 1.965 123.291 121.300 0.043 0.000 2.137 249 W HA 0.335 4.996 4.660 0.001 0.000 0.344 249 W C 0.715 177.142 176.519 -0.155 0.000 1.286 249 W CA -0.558 56.754 57.345 -0.055 0.000 1.240 249 W CB 0.381 29.856 29.460 0.024 0.000 1.141 249 W HN 0.141 nan 8.180 nan 0.000 0.579 250 D N 0.578 120.881 120.400 -0.161 0.000 2.500 250 D HA 0.256 4.891 4.640 -0.009 0.000 0.217 250 D C 0.594 176.275 176.300 -1.030 0.000 1.159 250 D CA 0.262 54.024 54.000 -0.396 0.000 0.828 250 D CB 0.977 41.643 40.800 -0.224 0.000 1.039 250 D HN 0.484 nan 8.370 nan 0.000 0.512 251 G N -0.627 107.283 108.800 -1.483 0.000 2.430 251 G HA2 0.224 4.179 3.960 -0.009 0.000 0.300 251 G HA3 0.224 4.179 3.960 -0.009 0.000 0.300 251 G C 0.015 174.410 174.900 -0.842 0.000 1.330 251 G CA -0.237 43.803 45.100 -1.766 0.000 0.813 251 G HN -0.136 nan 8.290 nan 0.000 0.487 252 S N -0.827 114.728 115.700 -0.241 0.000 2.486 252 S HA 0.045 4.510 4.470 -0.009 0.000 0.220 252 S C 2.467 177.041 174.600 -0.044 0.000 1.011 252 S CA 0.878 59.119 58.200 0.067 0.000 0.921 252 S CB 0.242 63.617 63.200 0.291 0.000 0.785 252 S HN 0.469 nan 8.310 nan 0.000 0.517 253 V N 2.725 122.599 119.914 -0.067 0.000 2.233 253 V HA -0.186 3.929 4.120 -0.009 0.000 0.247 253 V C 2.534 178.613 176.094 -0.025 0.000 1.050 253 V CA 1.715 63.998 62.300 -0.027 0.000 1.010 253 V CB -0.576 31.231 31.823 -0.026 0.000 0.637 253 V HN 0.390 nan 8.190 nan 0.000 0.444 254 E N -0.206 119.972 120.200 -0.036 0.000 2.153 254 E HA -0.134 4.211 4.350 -0.009 0.000 0.194 254 E C 2.127 178.708 176.600 -0.032 0.000 0.988 254 E CA 1.200 57.617 56.400 0.027 0.000 0.811 254 E CB -0.301 29.487 29.700 0.147 0.000 0.746 254 E HN 0.607 nan 8.360 nan 0.000 0.466 255 I N 0.647 121.081 120.570 -0.225 0.000 2.163 255 I HA -0.261 3.904 4.170 -0.009 0.000 0.240 255 I C 2.458 178.505 176.117 -0.117 0.000 1.081 255 I CA 0.886 61.959 61.300 -0.378 0.000 1.353 255 I CB -0.266 37.368 38.000 -0.609 0.000 1.054 255 I HN 0.040 nan 8.210 nan 0.000 0.407 256 L N 0.404 121.597 121.223 -0.050 0.000 2.046 256 L HA -0.213 4.122 4.340 -0.009 0.000 0.208 256 L C 2.560 179.528 176.870 0.164 0.000 1.077 256 L CA 1.496 56.383 54.840 0.077 0.000 0.747 256 L CB -0.529 41.568 42.059 0.064 0.000 0.896 256 L HN 0.168 nan 8.230 nan 0.000 0.432 257 K N -0.292 120.162 120.400 0.089 0.000 2.097 257 K HA -0.127 4.188 4.320 -0.009 0.000 0.205 257 K C 1.865 178.513 176.600 0.080 0.000 1.050 257 K CA 1.183 57.518 56.287 0.080 0.000 0.938 257 K CB -0.147 32.384 32.500 0.052 0.000 0.718 257 K HN 0.243 nan 8.250 nan 0.000 0.442 258 N N 0.212 118.964 118.700 0.087 0.000 2.188 258 N HA -0.163 4.572 4.740 -0.009 0.000 0.184 258 N C 1.202 176.783 175.510 0.119 0.000 1.018 258 N CA 0.812 53.916 53.050 0.089 0.000 0.858 258 N CB -0.301 38.250 38.487 0.106 0.000 0.989 258 N HN 0.276 nan 8.380 nan 0.000 0.426 259 W N 2.546 123.817 121.300 -0.048 0.000 2.332 259 W HA -0.157 4.509 4.660 0.010 0.000 0.321 259 W C 2.363 178.864 176.519 -0.030 0.000 1.219 259 W CA 1.771 59.089 57.345 -0.045 0.000 1.277 259 W CB -0.574 28.853 29.460 -0.055 0.000 1.161 259 W HN -0.021 nan 8.180 nan 0.000 0.476 260 K N 0.718 121.092 120.400 -0.044 0.000 2.009 260 K HA -0.295 4.020 4.320 -0.009 0.000 0.210 260 K C 2.304 178.790 176.600 -0.190 0.000 1.049 260 K CA 2.228 58.368 56.287 -0.245 0.000 0.929 260 K CB -0.665 31.791 32.500 -0.074 0.000 0.714 260 K HN 0.100 nan 8.250 nan 0.000 0.440 261 K N 0.559 120.912 120.400 -0.079 0.000 2.211 261 K HA -0.109 4.206 4.320 -0.009 0.000 0.204 261 K C 1.407 177.964 176.600 -0.073 0.000 1.047 261 K CA 1.741 57.992 56.287 -0.059 0.000 0.935 261 K CB -0.104 32.387 32.500 -0.016 0.000 0.728 261 K HN 0.306 nan 8.250 nan 0.000 0.452 262 S N -0.920 114.729 115.700 -0.085 0.000 2.660 262 S HA 0.185 4.650 4.470 -0.009 0.000 0.227 262 S C 0.837 175.363 174.600 -0.124 0.000 0.948 262 S CA 0.094 58.248 58.200 -0.076 0.000 0.948 262 S CB 0.339 63.519 63.200 -0.034 0.000 0.779 262 S HN 0.462 nan 8.310 nan 0.000 0.487 263 G N 1.725 110.415 108.800 -0.182 0.000 2.221 263 G HA2 -0.256 3.698 3.960 -0.009 0.000 0.265 263 G HA3 -0.256 3.698 3.960 -0.009 0.000 0.265 263 G C 0.382 175.102 174.900 -0.299 0.000 1.041 263 G CA -0.089 44.887 45.100 -0.207 0.000 0.807 263 G HN 1.217 nan 8.290 nan 0.000 0.502 264 L N -1.984 118.926 121.223 -0.521 0.000 3.898 264 L HA -0.207 4.128 4.340 -0.009 0.000 0.407 264 L C 1.180 177.906 176.870 -0.241 0.000 1.207 264 L CA 0.647 54.989 54.840 -0.830 0.000 0.931 264 L CB -2.484 39.136 42.059 -0.732 0.000 2.014 264 L HN 1.244 nan 8.230 nan 0.000 0.858 265 S N -1.220 114.424 115.700 -0.093 0.000 2.586 265 S HA 0.705 5.170 4.470 -0.009 0.000 0.274 265 S C -2.114 172.599 174.600 0.189 0.000 1.281 265 S CA -1.411 56.822 58.200 0.055 0.000 1.035 265 S CB 1.534 64.744 63.200 0.016 0.000 0.962 265 S HN 0.015 nan 8.310 nan 0.000 0.512 266 P HA 0.072 nan 4.420 nan 0.000 0.264 266 P C -0.894 176.456 177.300 0.083 0.000 1.183 266 P CA -0.166 63.029 63.100 0.159 0.000 0.763 266 P CB 0.268 32.031 31.700 0.106 0.000 0.807 267 V N 5.821 125.764 119.914 0.048 0.000 2.432 267 V HA 0.205 4.320 4.120 -0.009 0.000 0.271 267 V C 0.851 176.890 176.094 -0.091 0.000 1.046 267 V CA -0.102 62.191 62.300 -0.012 0.000 0.945 267 V CB 0.222 31.997 31.823 -0.081 0.000 0.992 267 V HN 0.438 nan 8.190 nan 0.000 0.471 268 R N 4.698 125.085 120.500 -0.189 0.000 2.294 268 R HA 0.656 4.991 4.340 -0.009 0.000 0.319 268 R C -1.433 174.718 176.300 -0.249 0.000 0.984 268 R CA -0.397 55.336 56.100 -0.612 0.000 0.861 268 R CB 1.230 30.684 30.300 -1.410 0.000 1.104 268 R HN 0.626 nan 8.270 nan 0.000 0.451 269 Y N -0.303 120.100 120.300 0.171 0.000 2.638 269 Y HA 0.680 5.222 4.550 -0.013 0.000 0.339 269 Y C 0.626 176.476 175.900 -0.083 0.000 1.084 269 Y CA -0.963 57.141 58.100 0.007 0.000 1.068 269 Y CB 2.521 40.960 38.460 -0.035 0.000 1.294 269 Y HN 0.682 nan 8.280 nan 0.000 0.480 270 G N 0.150 108.832 108.800 -0.196 0.000 2.605 270 G HA2 0.699 4.653 3.960 -0.009 0.000 0.296 270 G HA3 0.699 4.653 3.960 -0.009 0.000 0.296 270 G C -1.740 172.717 174.900 -0.737 0.000 1.304 270 G CA -0.744 44.005 45.100 -0.584 0.000 0.941 270 G HN 0.458 nan 8.290 nan 0.000 0.475 271 Q N -1.077 118.224 119.800 -0.832 0.000 2.633 271 Q HA 0.271 4.606 4.340 -0.009 0.000 0.292 271 Q C 1.685 177.678 176.000 -0.011 0.000 1.089 271 Q CA -0.586 54.842 55.803 -0.625 0.000 0.811 271 Q CB 2.026 30.283 28.738 -0.802 0.000 1.472 271 Q HN 0.842 nan 8.270 nan 0.000 0.464 272 C N -0.781 118.959 119.300 0.734 0.000 2.385 272 C HA -0.168 4.287 4.460 -0.009 0.000 0.275 272 C C 2.100 177.337 174.990 0.411 0.000 1.199 272 C CA 1.457 60.970 59.018 0.825 0.000 1.782 272 C CB -1.648 26.800 27.740 1.181 0.000 2.068 272 C HN 1.014 nan 8.230 nan 0.000 0.471 273 W N 1.820 123.274 121.300 0.255 0.000 2.519 273 W HA 0.218 4.838 4.660 -0.067 0.000 0.266 273 W C 1.731 178.044 176.519 -0.344 0.000 1.253 273 W CA 1.015 58.327 57.345 -0.056 0.000 1.274 273 W CB -1.032 28.368 29.460 -0.099 0.000 1.114 273 W HN 0.196 nan 8.180 nan 0.000 0.596 274 V N 0.972 120.378 119.914 -0.847 0.000 2.379 274 V HA -0.236 3.879 4.120 -0.009 0.000 0.245 274 V C 2.185 177.995 176.094 -0.473 0.000 1.044 274 V CA 1.616 63.469 62.300 -0.745 0.000 1.036 274 V CB -1.141 30.226 31.823 -0.761 0.000 0.664 274 V HN 0.087 nan 8.190 nan 0.000 0.453 275 F N 1.227 121.029 119.950 -0.246 0.000 2.102 275 F HA -0.113 4.384 4.527 -0.050 0.000 0.298 275 F C 2.532 178.276 175.800 -0.094 0.000 1.105 275 F CA 1.612 59.543 58.000 -0.114 0.000 1.239 275 F CB -1.056 37.950 39.000 0.011 0.000 0.991 275 F HN 0.079 nan 8.300 nan 0.000 0.474 276 A N 0.241 123.125 122.820 0.107 0.000 1.902 276 A HA -0.068 4.247 4.320 -0.009 0.000 0.217 276 A C 2.557 180.101 177.584 -0.066 0.000 1.181 276 A CA 1.830 53.888 52.037 0.036 0.000 0.623 276 A CB -1.627 17.392 19.000 0.031 0.000 0.818 276 A HN 0.412 nan 8.150 nan 0.000 0.443 277 G N -1.204 107.403 108.800 -0.323 0.000 2.418 277 G HA2 -0.147 3.808 3.960 -0.009 0.000 0.217 277 G HA3 -0.147 3.808 3.960 -0.009 0.000 0.217 277 G C 1.570 176.559 174.900 0.149 0.000 1.158 277 G CA 1.655 46.497 45.100 -0.429 0.000 0.771 277 G HN 0.436 nan 8.290 nan 0.000 0.545 278 T N 0.987 115.592 114.554 0.086 0.000 2.777 278 T HA -0.085 4.260 4.350 -0.009 0.000 0.266 278 T C 2.208 176.954 174.700 0.077 0.000 1.040 278 T CA 1.092 63.267 62.100 0.125 0.000 1.141 278 T CB -0.179 68.675 68.868 -0.023 0.000 0.868 278 T HN 0.140 nan 8.240 nan 0.000 0.444 279 L N 1.889 123.145 121.223 0.053 0.000 2.141 279 L HA 0.070 4.405 4.340 -0.009 0.000 0.209 279 L C 1.998 178.890 176.870 0.037 0.000 1.094 279 L CA 1.565 56.433 54.840 0.046 0.000 0.763 279 L CB -0.882 41.217 42.059 0.067 0.000 0.908 279 L HN 0.213 nan 8.230 nan 0.000 0.437 280 N N -1.330 117.382 118.700 0.020 0.000 2.120 280 N HA -0.188 4.546 4.740 -0.009 0.000 0.188 280 N C 1.494 176.935 175.510 -0.115 0.000 1.024 280 N CA 1.817 54.806 53.050 -0.101 0.000 0.852 280 N CB 0.128 38.454 38.487 -0.268 0.000 1.003 280 N HN 0.435 nan 8.380 nan 0.000 0.424 281 T N 0.836 115.412 114.554 0.037 0.000 2.708 281 T HA -0.085 4.260 4.350 -0.009 0.000 0.266 281 T C 1.956 176.686 174.700 0.050 0.000 1.037 281 T CA 1.356 63.503 62.100 0.077 0.000 1.146 281 T CB -0.366 68.620 68.868 0.197 0.000 0.865 281 T HN 0.383 nan 8.240 nan 0.000 0.435 282 A N 1.188 124.041 122.820 0.056 0.000 1.883 282 A HA -0.020 4.295 4.320 -0.009 0.000 0.217 282 A C 2.328 179.963 177.584 0.085 0.000 1.186 282 A CA 1.320 53.394 52.037 0.061 0.000 0.624 282 A CB -0.912 18.109 19.000 0.035 0.000 0.822 282 A HN 0.472 nan 8.150 nan 0.000 0.444 283 L N -1.201 120.065 121.223 0.071 0.000 2.017 283 L HA -0.196 4.138 4.340 -0.009 0.000 0.208 283 L C 2.910 179.855 176.870 0.125 0.000 1.073 283 L CA 1.597 56.498 54.840 0.101 0.000 0.745 283 L CB -0.479 41.634 42.059 0.090 0.000 0.894 283 L HN 0.350 nan 8.230 nan 0.000 0.432 284 R N -0.220 120.321 120.500 0.068 0.000 2.092 284 R HA -0.130 4.205 4.340 -0.009 0.000 0.231 284 R C 2.644 179.046 176.300 0.171 0.000 1.119 284 R CA 1.569 57.719 56.100 0.085 0.000 0.970 284 R CB -0.394 29.882 30.300 -0.040 0.000 0.864 284 R HN 0.494 nan 8.270 nan 0.000 0.440 285 S N 1.114 116.911 115.700 0.161 0.000 2.368 285 S HA -0.090 4.374 4.470 -0.009 0.000 0.225 285 S C 1.959 176.750 174.600 0.318 0.000 1.030 285 S CA 0.937 59.318 58.200 0.302 0.000 0.999 285 S CB -0.389 62.948 63.200 0.228 0.000 0.844 285 S HN 0.248 nan 8.310 nan 0.000 0.459 286 L N 1.028 122.404 121.223 0.255 0.000 2.552 286 L HA 0.250 4.585 4.340 -0.009 0.000 0.227 286 L C 1.922 179.054 176.870 0.437 0.000 1.146 286 L CA 0.506 55.523 54.840 0.294 0.000 0.858 286 L CB -0.789 41.458 42.059 0.313 0.000 0.969 286 L HN 0.696 nan 8.230 nan 0.000 0.451 287 G N 0.567 109.612 108.800 0.409 0.000 2.144 287 G HA2 -0.233 3.722 3.960 -0.009 0.000 0.218 287 G HA3 -0.233 3.722 3.960 -0.009 0.000 0.218 287 G C 0.122 175.234 174.900 0.353 0.000 0.988 287 G CA -0.510 44.860 45.100 0.450 0.000 0.659 287 G HN 0.241 nan 8.290 nan 0.000 0.522 288 I N 2.144 122.862 120.570 0.247 0.000 2.297 288 I HA 0.262 4.426 4.170 -0.009 0.000 0.291 288 I C -2.024 174.204 176.117 0.184 0.000 1.033 288 I CA -2.278 59.104 61.300 0.138 0.000 1.253 288 I CB 1.432 39.463 38.000 0.052 0.000 1.396 288 I HN -0.154 nan 8.210 nan 0.000 0.476 289 P HA 0.006 nan 4.420 nan 0.000 0.262 289 P C -0.784 176.673 177.300 0.262 0.000 1.182 289 P CA 0.298 63.503 63.100 0.176 0.000 0.761 289 P CB 0.549 32.276 31.700 0.045 0.000 0.795 290 S N 2.638 118.479 115.700 0.234 0.000 2.565 290 S HA 0.854 5.319 4.470 -0.009 0.000 0.269 290 S C -0.997 173.619 174.600 0.025 0.000 1.153 290 S CA -1.074 57.239 58.200 0.187 0.000 0.835 290 S CB 2.453 65.725 63.200 0.121 0.000 1.122 290 S HN 0.591 nan 8.310 nan 0.000 0.462 291 R N -0.473 119.958 120.500 -0.114 0.000 2.781 291 R HA 0.805 5.140 4.340 -0.009 0.000 0.269 291 R C -1.946 174.277 176.300 -0.129 0.000 1.025 291 R CA -1.137 54.873 56.100 -0.149 0.000 0.914 291 R CB 1.051 31.160 30.300 -0.318 0.000 1.236 291 R HN 0.444 nan 8.270 nan 0.000 0.465 292 V N 2.325 122.199 119.914 -0.067 0.000 2.394 292 V HA 0.402 4.517 4.120 -0.009 0.000 0.282 292 V C -0.103 175.906 176.094 -0.142 0.000 1.031 292 V CA -0.803 61.455 62.300 -0.069 0.000 0.881 292 V CB 1.393 33.219 31.823 0.005 0.000 0.982 292 V HN 0.506 nan 8.190 nan 0.000 0.451 293 I N 3.604 124.004 120.570 -0.284 0.000 2.441 293 I HA 0.465 4.630 4.170 -0.009 0.000 0.295 293 I C 0.271 175.987 176.117 -0.668 0.000 0.994 293 I CA -0.160 60.853 61.300 -0.478 0.000 1.144 293 I CB 1.850 39.439 38.000 -0.685 0.000 1.314 293 I HN 0.529 nan 8.210 nan 0.000 0.445 294 T N 5.142 119.390 114.554 -0.511 0.000 2.786 294 T HA 0.283 4.628 4.350 -0.009 0.000 0.283 294 T C -0.125 174.208 174.700 -0.613 0.000 0.992 294 T CA -0.571 61.202 62.100 -0.545 0.000 0.954 294 T CB 0.913 69.544 68.868 -0.394 0.000 0.934 294 T HN 0.482 nan 8.240 nan 0.000 0.440 295 N N 2.561 120.847 118.700 -0.689 0.000 2.417 295 N HA 0.464 5.199 4.740 -0.009 0.000 0.274 295 N C -1.284 174.114 175.510 -0.187 0.000 0.987 295 N CA -0.661 52.139 53.050 -0.417 0.000 0.912 295 N CB 0.338 38.544 38.487 -0.469 0.000 1.177 295 N HN 0.299 nan 8.380 nan 0.000 0.490 296 F N 2.131 122.134 119.950 0.089 0.000 2.385 296 F HA 0.338 4.874 4.527 0.014 0.000 0.336 296 F C 0.846 176.743 175.800 0.161 0.000 1.100 296 F CA -0.553 57.572 58.000 0.209 0.000 1.116 296 F CB 0.687 39.817 39.000 0.217 0.000 1.166 296 F HN 0.455 nan 8.300 nan 0.000 0.511 297 N N 0.759 119.679 118.700 0.368 0.000 2.708 297 N HA -0.225 4.510 4.740 -0.009 0.000 0.255 297 N C -0.603 175.009 175.510 0.170 0.000 1.046 297 N CA 0.395 53.588 53.050 0.240 0.000 0.715 297 N CB -1.164 37.423 38.487 0.167 0.000 0.895 297 N HN 0.450 nan 8.380 nan 0.000 0.545 298 S N -0.467 115.349 115.700 0.193 0.000 2.439 298 S HA 0.686 5.151 4.470 -0.009 0.000 0.282 298 S C 0.408 175.004 174.600 -0.008 0.000 1.170 298 S CA -0.180 58.082 58.200 0.104 0.000 1.054 298 S CB 0.532 63.837 63.200 0.176 0.000 0.956 298 S HN 0.485 nan 8.310 nan 0.000 0.490 299 A N 4.026 126.816 122.820 -0.050 0.000 2.327 299 A HA 0.385 4.700 4.320 -0.009 0.000 0.283 299 A C -0.231 177.278 177.584 -0.126 0.000 1.127 299 A CA -0.458 51.548 52.037 -0.052 0.000 0.810 299 A CB 0.174 19.168 19.000 -0.010 0.000 1.066 299 A HN 1.014 nan 8.150 nan 0.000 0.492 300 H N 1.963 120.937 119.070 -0.159 0.000 2.632 300 H HA 0.259 4.815 4.556 -0.001 0.000 0.258 300 H C -1.098 174.242 175.328 0.021 0.000 1.278 300 H CA -0.687 55.304 56.048 -0.094 0.000 1.352 300 H CB 0.316 30.014 29.762 -0.107 0.000 1.418 300 H HN 0.692 nan 8.280 nan 0.000 0.513 301 D N 3.572 124.123 120.400 0.252 0.000 2.336 301 D HA -0.030 4.605 4.640 -0.009 0.000 0.249 301 D C 1.354 177.794 176.300 0.233 0.000 1.213 301 D CA -0.025 54.075 54.000 0.166 0.000 0.870 301 D CB 1.400 42.271 40.800 0.119 0.000 1.076 301 D HN 0.711 nan 8.370 nan 0.000 0.483 302 T N 0.193 114.780 114.554 0.055 0.000 2.939 302 T HA -0.104 4.241 4.350 -0.009 0.000 0.254 302 T C 0.845 175.560 174.700 0.025 0.000 1.041 302 T CA 0.364 62.476 62.100 0.020 0.000 1.142 302 T CB -0.077 68.709 68.868 -0.137 0.000 0.874 302 T HN 0.383 nan 8.240 nan 0.000 0.452 303 D N 1.361 121.768 120.400 0.012 0.000 2.561 303 D HA 0.127 4.762 4.640 -0.009 0.000 0.232 303 D C -0.001 176.311 176.300 0.020 0.000 1.198 303 D CA -0.659 53.345 54.000 0.007 0.000 0.826 303 D CB -0.982 39.814 40.800 -0.006 0.000 0.992 303 D HN 0.352 nan 8.370 nan 0.000 0.490 304 R N 0.703 121.228 120.500 0.040 0.000 2.955 304 R HA -0.247 4.088 4.340 -0.009 0.000 0.239 304 R C -0.381 175.925 176.300 0.010 0.000 0.848 304 R CA 0.924 57.044 56.100 0.032 0.000 0.586 304 R CB -1.998 28.309 30.300 0.012 0.000 1.098 304 R HN 0.523 nan 8.270 nan 0.000 0.499 305 N N -0.411 118.306 118.700 0.028 0.000 2.240 305 N HA 0.132 4.867 4.740 -0.009 0.000 0.240 305 N C 0.063 175.600 175.510 0.046 0.000 1.277 305 N CA -0.395 52.669 53.050 0.023 0.000 0.873 305 N CB 0.419 38.933 38.487 0.045 0.000 1.222 305 N HN 0.325 nan 8.380 nan 0.000 0.507 306 L N -0.568 120.686 121.223 0.053 0.000 3.839 306 L HA -0.256 4.078 4.340 -0.009 0.000 0.416 306 L C -0.385 176.626 176.870 0.235 0.000 1.195 306 L CA 0.799 55.709 54.840 0.118 0.000 0.946 306 L CB -2.359 39.659 42.059 -0.068 0.000 1.891 306 L HN 0.454 nan 8.230 nan 0.000 0.963 307 S N -0.452 115.348 115.700 0.168 0.000 2.543 307 S HA 0.775 5.240 4.470 -0.009 0.000 0.271 307 S C -0.450 174.223 174.600 0.120 0.000 1.148 307 S CA -0.090 58.208 58.200 0.165 0.000 0.914 307 S CB 2.133 65.437 63.200 0.174 0.000 1.096 307 S HN 0.376 nan 8.310 nan 0.000 0.471 308 V N 1.204 121.181 119.914 0.106 0.000 2.769 308 V HA 0.764 4.879 4.120 -0.009 0.000 0.312 308 V C -1.191 174.966 176.094 0.105 0.000 1.061 308 V CA -0.860 61.494 62.300 0.089 0.000 0.931 308 V CB 2.006 33.870 31.823 0.069 0.000 1.010 308 V HN 0.798 nan 8.190 nan 0.000 0.433 309 D N 1.844 122.309 120.400 0.109 0.000 2.256 309 D HA 0.582 5.217 4.640 -0.009 0.000 0.246 309 D C -0.876 175.446 176.300 0.036 0.000 1.042 309 D CA -0.174 53.889 54.000 0.105 0.000 0.841 309 D CB 2.708 43.532 40.800 0.039 0.000 1.223 309 D HN 0.607 nan 8.370 nan 0.000 0.470 310 V N 2.978 122.873 119.914 -0.032 0.000 2.540 310 V HA 0.484 4.599 4.120 -0.009 0.000 0.302 310 V C -1.702 174.300 176.094 -0.154 0.000 1.035 310 V CA -0.407 61.873 62.300 -0.033 0.000 0.873 310 V CB 1.069 32.905 31.823 0.022 0.000 0.992 310 V HN 0.380 nan 8.190 nan 0.000 0.428 311 Y N 5.679 125.869 120.300 -0.183 0.000 2.429 311 Y HA 0.757 5.301 4.550 -0.010 0.000 0.342 311 Y C -0.671 174.973 175.900 -0.426 0.000 1.004 311 Y CA -0.714 57.294 58.100 -0.154 0.000 1.075 311 Y CB 2.011 40.376 38.460 -0.160 0.000 1.214 311 Y HN 0.627 nan 8.280 nan 0.000 0.455 312 Y N 0.438 120.803 120.300 0.108 0.000 2.581 312 Y HA 0.373 4.918 4.550 -0.009 0.000 0.345 312 Y C -0.591 175.316 175.900 0.012 0.000 1.036 312 Y CA -1.476 56.638 58.100 0.024 0.000 1.042 312 Y CB 1.689 40.142 38.460 -0.011 0.000 1.289 312 Y HN 0.623 nan 8.280 nan 0.000 0.471 313 D N 0.278 120.779 120.400 0.169 0.000 2.440 313 D HA 0.358 4.993 4.640 -0.009 0.000 0.258 313 D C -2.442 173.912 176.300 0.090 0.000 1.092 313 D CA -2.501 51.551 54.000 0.088 0.000 1.016 313 D CB 0.978 41.824 40.800 0.077 0.000 1.141 313 D HN 0.118 nan 8.370 nan 0.000 0.552 314 P HA 0.027 nan 4.420 nan 0.000 0.228 314 P C 0.960 178.313 177.300 0.089 0.000 1.151 314 P CA 1.094 64.262 63.100 0.114 0.000 0.770 314 P CB 0.031 31.828 31.700 0.162 0.000 0.786 315 M N -2.657 116.993 119.600 0.084 0.000 2.495 315 M HA 0.237 4.712 4.480 -0.009 0.000 0.237 315 M C 1.080 177.433 176.300 0.088 0.000 1.131 315 M CA 0.761 56.104 55.300 0.072 0.000 1.032 315 M CB -0.113 32.528 32.600 0.068 0.000 1.513 315 M HN 0.044 nan 8.290 nan 0.000 0.488 316 G N 0.982 109.851 108.800 0.115 0.000 2.141 316 G HA2 -0.194 3.760 3.960 -0.009 0.000 0.231 316 G HA3 -0.194 3.760 3.960 -0.009 0.000 0.231 316 G C -0.337 174.707 174.900 0.241 0.000 0.984 316 G CA -0.473 44.711 45.100 0.140 0.000 0.660 316 G HN 0.448 nan 8.290 nan 0.000 0.525 317 N N 1.505 120.341 118.700 0.227 0.000 2.455 317 N HA 0.455 5.190 4.740 -0.009 0.000 0.280 317 N C -2.757 172.762 175.510 0.015 0.000 1.055 317 N CA -1.074 52.074 53.050 0.164 0.000 0.961 317 N CB 1.631 40.212 38.487 0.156 0.000 1.121 317 N HN 0.087 nan 8.380 nan 0.000 0.476 318 P HA 0.204 nan 4.420 nan 0.000 0.274 318 P C -0.477 176.491 177.300 -0.554 0.000 1.231 318 P CA -0.394 62.375 63.100 -0.552 0.000 0.790 318 P CB 0.767 32.162 31.700 -0.508 0.000 0.951 319 L N 2.930 123.873 121.223 -0.467 0.000 2.322 319 L HA 0.233 4.568 4.340 -0.009 0.000 0.279 319 L C 1.445 178.116 176.870 -0.331 0.000 1.036 319 L CA 0.226 54.866 54.840 -0.333 0.000 0.807 319 L CB 0.320 42.259 42.059 -0.200 0.000 1.226 319 L HN 0.335 nan 8.230 nan 0.000 0.433 320 D N 1.196 121.413 120.400 -0.306 0.000 2.157 320 D HA -0.217 4.418 4.640 -0.009 0.000 0.191 320 D C 0.824 176.988 176.300 -0.227 0.000 1.004 320 D CA 1.286 55.136 54.000 -0.250 0.000 0.854 320 D CB 0.187 40.869 40.800 -0.197 0.000 0.936 320 D HN 0.385 nan 8.370 nan 0.000 0.446 321 K N 0.319 120.552 120.400 -0.278 0.000 2.255 321 K HA 0.065 4.380 4.320 -0.009 0.000 0.269 321 K C 0.740 177.251 176.600 -0.149 0.000 1.158 321 K CA 0.806 56.898 56.287 -0.326 0.000 1.155 321 K CB -0.427 31.684 32.500 -0.649 0.000 0.889 321 K HN 0.280 nan 8.250 nan 0.000 0.440 322 G N 2.313 111.063 108.800 -0.084 0.000 2.176 322 G HA2 -0.343 3.612 3.960 -0.009 0.000 0.253 322 G HA3 -0.343 3.612 3.960 -0.009 0.000 0.253 322 G C 0.736 175.611 174.900 -0.042 0.000 0.979 322 G CA 0.598 45.703 45.100 0.009 0.000 0.641 322 G HN 0.737 nan 8.290 nan 0.000 0.530 323 S N 0.466 116.097 115.700 -0.116 0.000 2.442 323 S HA -0.001 4.464 4.470 -0.009 0.000 0.236 323 S C 1.316 175.862 174.600 -0.089 0.000 1.007 323 S CA 1.721 59.830 58.200 -0.151 0.000 0.965 323 S CB -0.080 62.991 63.200 -0.216 0.000 0.773 323 S HN 0.926 nan 8.310 nan 0.000 0.504 324 D N -0.152 120.211 120.400 -0.061 0.000 2.696 324 D HA 0.324 4.959 4.640 -0.009 0.000 0.269 324 D C 0.460 176.846 176.300 0.144 0.000 1.319 324 D CA -0.319 53.665 54.000 -0.027 0.000 0.826 324 D CB -0.098 40.627 40.800 -0.125 0.000 1.086 324 D HN 0.248 nan 8.370 nan 0.000 0.481 325 S N -0.715 115.051 115.700 0.110 0.000 2.524 325 S HA 0.139 4.604 4.470 -0.009 0.000 0.216 325 S C 0.564 175.267 174.600 0.171 0.000 0.987 325 S CA -0.062 58.211 58.200 0.122 0.000 0.909 325 S CB 0.667 63.898 63.200 0.050 0.000 0.781 325 S HN 0.237 nan 8.310 nan 0.000 0.521 326 V N 2.621 122.662 119.914 0.211 0.000 2.443 326 V HA 0.292 4.407 4.120 -0.009 0.000 0.272 326 V C -1.137 175.149 176.094 0.320 0.000 1.002 326 V CA -1.061 61.367 62.300 0.212 0.000 0.840 326 V CB 0.328 32.232 31.823 0.134 0.000 1.042 326 V HN 0.385 nan 8.190 nan 0.000 0.446 327 W N 2.696 123.992 121.300 -0.007 0.000 2.193 327 W HA 0.251 4.897 4.660 -0.023 0.000 0.338 327 W C 1.610 178.181 176.519 0.087 0.000 1.310 327 W CA -0.584 56.741 57.345 -0.033 0.000 1.243 327 W CB -0.077 29.334 29.460 -0.083 0.000 1.165 327 W HN 0.481 nan 8.180 nan 0.000 0.566 328 N N 1.111 119.998 118.700 0.312 0.000 2.272 328 N HA -0.147 4.588 4.740 -0.009 0.000 0.185 328 N C -0.134 175.712 175.510 0.560 0.000 1.014 328 N CA 1.340 54.633 53.050 0.405 0.000 0.870 328 N CB -0.062 38.681 38.487 0.427 0.000 0.975 328 N HN 0.384 nan 8.380 nan 0.000 0.433 329 F N -2.408 117.813 119.950 0.451 0.000 2.725 329 F HA 0.467 4.974 4.527 -0.033 0.000 0.309 329 F C -1.237 174.875 175.800 0.520 0.000 1.132 329 F CA -1.329 56.791 58.000 0.201 0.000 0.957 329 F CB 0.915 39.768 39.000 -0.245 0.000 1.286 329 F HN -0.192 nan 8.300 nan 0.000 0.440 330 H N 1.188 120.485 119.070 0.379 0.000 2.865 330 H HA 0.809 5.390 4.556 0.042 0.000 0.362 330 H C -2.073 173.379 175.328 0.207 0.000 1.114 330 H CA -1.060 55.236 56.048 0.413 0.000 1.208 330 H CB 2.167 32.035 29.762 0.176 0.000 1.727 330 H HN 0.730 nan 8.280 nan 0.000 0.534 331 V N 5.609 125.437 119.914 -0.142 0.000 2.513 331 V HA 0.514 4.628 4.120 -0.009 0.000 0.299 331 V C -0.693 175.218 176.094 -0.304 0.000 1.035 331 V CA -0.362 61.776 62.300 -0.270 0.000 0.889 331 V CB 0.848 32.725 31.823 0.090 0.000 0.988 331 V HN 0.889 nan 8.190 nan 0.000 0.440 332 W N 3.308 124.456 121.300 -0.253 0.000 3.163 332 W HA 0.738 5.380 4.660 -0.030 0.000 0.395 332 W C -1.317 175.159 176.519 -0.071 0.000 1.100 332 W CA -1.034 56.217 57.345 -0.156 0.000 1.134 332 W CB 0.712 30.076 29.460 -0.160 0.000 1.496 332 W HN 0.393 nan 8.180 nan 0.000 0.605 333 N N -0.231 118.714 118.700 0.408 0.000 2.469 333 N HA 0.538 5.273 4.740 -0.009 0.000 0.286 333 N C -1.736 173.955 175.510 0.301 0.000 1.275 333 N CA -1.061 52.128 53.050 0.231 0.000 0.790 333 N CB 2.222 40.792 38.487 0.138 0.000 1.446 333 N HN 0.440 nan 8.380 nan 0.000 0.501 334 E N -0.590 119.702 120.200 0.153 0.000 2.256 334 E HA 0.581 4.926 4.350 -0.009 0.000 0.268 334 E C -0.902 175.865 176.600 0.278 0.000 0.877 334 E CA -0.988 55.525 56.400 0.188 0.000 0.757 334 E CB 2.155 31.867 29.700 0.020 0.000 1.183 334 E HN 0.581 nan 8.360 nan 0.000 0.418 335 G N 1.808 110.767 108.800 0.264 0.000 2.420 335 G HA2 0.324 4.279 3.960 -0.009 0.000 0.331 335 G HA3 0.324 4.279 3.960 -0.009 0.000 0.331 335 G C -1.484 173.434 174.900 0.030 0.000 1.168 335 G CA -0.537 44.728 45.100 0.275 0.000 0.936 335 G HN 0.442 nan 8.290 nan 0.000 0.479 336 W N 4.225 125.434 121.300 -0.151 0.000 2.294 336 W HA 0.628 5.275 4.660 -0.021 0.000 0.314 336 W C -1.786 174.593 176.519 -0.234 0.000 1.044 336 W CA -1.211 55.825 57.345 -0.515 0.000 1.284 336 W CB 0.777 29.749 29.460 -0.815 0.000 1.231 336 W HN 0.443 nan 8.180 nan 0.000 0.419 337 F N 3.203 122.768 119.950 -0.642 0.000 2.769 337 F HA 0.429 4.947 4.527 -0.016 0.000 0.313 337 F C -0.737 174.793 175.800 -0.451 0.000 1.146 337 F CA -1.689 56.035 58.000 -0.460 0.000 0.934 337 F CB -0.335 38.528 39.000 -0.230 0.000 1.283 337 F HN 0.123 nan 8.300 nan 0.000 0.443 338 V N 0.282 120.166 119.914 -0.051 0.000 3.051 338 V HA 0.611 4.726 4.120 -0.009 0.000 0.306 338 V C -0.077 176.075 176.094 0.097 0.000 1.083 338 V CA -0.623 61.641 62.300 -0.061 0.000 1.104 338 V CB 1.055 32.868 31.823 -0.016 0.000 1.027 338 V HN 0.859 nan 8.190 nan 0.000 0.483 339 R N 2.825 123.360 120.500 0.059 0.000 2.505 339 R HA 0.305 4.640 4.340 -0.009 0.000 0.284 339 R C 1.357 177.710 176.300 0.087 0.000 1.324 339 R CA 0.454 56.624 56.100 0.117 0.000 1.432 339 R CB 0.707 31.070 30.300 0.106 0.000 1.107 339 R HN 1.088 nan 8.270 nan 0.000 0.587 340 S N 0.224 115.973 115.700 0.082 0.000 2.440 340 S HA -0.190 4.275 4.470 -0.009 0.000 0.238 340 S C 1.165 175.798 174.600 0.055 0.000 1.010 340 S CA 1.503 59.739 58.200 0.061 0.000 0.972 340 S CB -0.037 63.198 63.200 0.057 0.000 0.774 340 S HN 0.531 nan 8.310 nan 0.000 0.501 341 D N 1.055 121.492 120.400 0.063 0.000 2.355 341 D HA 0.043 4.677 4.640 -0.009 0.000 0.218 341 D C 1.543 177.842 176.300 -0.002 0.000 1.004 341 D CA 0.303 54.324 54.000 0.035 0.000 0.880 341 D CB -0.218 40.614 40.800 0.053 0.000 0.911 341 D HN 0.518 nan 8.370 nan 0.000 0.528 342 L N -1.181 120.054 121.223 0.020 0.000 2.730 342 L HA 0.446 4.781 4.340 -0.009 0.000 0.236 342 L C 1.145 178.094 176.870 0.133 0.000 1.061 342 L CA 0.270 55.104 54.840 -0.010 0.000 0.898 342 L CB 0.636 42.636 42.059 -0.097 0.000 1.270 342 L HN 0.257 nan 8.230 nan 0.000 0.500 343 G N -0.142 108.747 108.800 0.148 0.000 2.355 343 G HA2 -0.058 3.897 3.960 -0.009 0.000 0.619 343 G HA3 -0.058 3.897 3.960 -0.009 0.000 0.619 343 G C -2.675 172.284 174.900 0.099 0.000 1.337 343 G CA -0.643 44.542 45.100 0.141 0.000 0.993 343 G HN -0.214 nan 8.290 nan 0.000 0.599 344 P HA -0.013 nan 4.420 nan 0.000 0.218 344 P C 2.077 179.319 177.300 -0.098 0.000 1.149 344 P CA 2.210 65.294 63.100 -0.027 0.000 0.817 344 P CB 0.085 31.770 31.700 -0.025 0.000 0.785 345 S N -2.437 113.153 115.700 -0.183 0.000 2.561 345 S HA -0.071 4.394 4.470 -0.009 0.000 0.225 345 S C 1.012 175.274 174.600 -0.563 0.000 0.977 345 S CA 0.360 58.326 58.200 -0.390 0.000 0.926 345 S CB -1.143 61.739 63.200 -0.530 0.000 0.769 345 S HN 0.184 nan 8.310 nan 0.000 0.533 346 Y N 1.747 122.002 120.300 -0.075 0.000 2.681 346 Y HA 0.503 5.047 4.550 -0.011 0.000 0.267 346 Y C 1.487 177.290 175.900 -0.161 0.000 1.166 346 Y CA -0.666 57.377 58.100 -0.095 0.000 1.209 346 Y CB 0.015 38.436 38.460 -0.064 0.000 1.161 346 Y HN 0.364 nan 8.280 nan 0.000 0.534 347 G N -0.359 108.361 108.800 -0.133 0.000 2.580 347 G HA2 0.516 4.471 3.960 -0.009 0.000 0.278 347 G HA3 0.516 4.471 3.960 -0.009 0.000 0.278 347 G C 0.486 175.063 174.900 -0.538 0.000 1.212 347 G CA 0.325 45.246 45.100 -0.299 0.000 0.939 347 G HN 0.544 nan 8.290 nan 0.000 0.513 348 G N -1.267 106.909 108.800 -1.040 0.000 2.501 348 G HA2 -0.157 3.798 3.960 -0.009 0.000 0.213 348 G HA3 -0.157 3.798 3.960 -0.009 0.000 0.213 348 G C -0.381 173.785 174.900 -1.223 0.000 1.158 348 G CA -0.286 43.798 45.100 -1.694 0.000 1.079 348 G HN 0.791 nan 8.290 nan 0.000 0.586 349 W N 2.305 123.366 121.300 -0.398 0.000 2.253 349 W HA 0.586 5.256 4.660 0.016 0.000 0.322 349 W C 0.433 176.761 176.519 -0.319 0.000 1.342 349 W CA -0.264 56.958 57.345 -0.205 0.000 1.218 349 W CB 0.832 30.273 29.460 -0.032 0.000 1.205 349 W HN 0.350 nan 8.180 nan 0.000 0.551 350 Q N 2.825 122.567 119.800 -0.096 0.000 2.321 350 Q HA 0.321 4.656 4.340 -0.009 0.000 0.270 350 Q C -0.597 175.418 176.000 0.024 0.000 1.032 350 Q CA -1.033 54.674 55.803 -0.159 0.000 0.784 350 Q CB 1.907 30.349 28.738 -0.494 0.000 1.264 350 Q HN 0.241 nan 8.270 nan 0.000 0.448 351 V N 3.752 123.699 119.914 0.055 0.000 2.585 351 V HA 0.209 4.324 4.120 -0.009 0.000 0.296 351 V C 0.276 176.398 176.094 0.047 0.000 1.035 351 V CA 0.145 62.481 62.300 0.061 0.000 1.084 351 V CB 0.140 31.914 31.823 -0.081 0.000 0.953 351 V HN 0.548 nan 8.190 nan 0.000 0.483 352 L N 4.581 125.856 121.223 0.086 0.000 2.438 352 L HA 0.585 4.920 4.340 -0.009 0.000 0.270 352 L C -1.048 175.879 176.870 0.096 0.000 0.972 352 L CA -0.368 54.521 54.840 0.081 0.000 0.831 352 L CB 2.236 44.367 42.059 0.121 0.000 1.273 352 L HN 0.552 nan 8.230 nan 0.000 0.405 353 D N 1.905 122.339 120.400 0.056 0.000 2.620 353 D HA 0.463 5.097 4.640 -0.009 0.000 0.252 353 D C 0.200 176.532 176.300 0.055 0.000 1.207 353 D CA -0.288 53.774 54.000 0.103 0.000 0.884 353 D CB 2.481 43.342 40.800 0.102 0.000 1.262 353 D HN 0.577 nan 8.370 nan 0.000 0.552 354 A N 2.733 125.591 122.820 0.063 0.000 2.178 354 A HA 0.120 4.435 4.320 -0.009 0.000 0.211 354 A C 0.988 178.423 177.584 -0.247 0.000 1.157 354 A CA 0.320 52.351 52.037 -0.011 0.000 0.780 354 A CB -0.064 18.992 19.000 0.092 0.000 0.828 354 A HN 0.479 nan 8.150 nan 0.000 0.476 355 T N 3.775 118.191 114.554 -0.230 0.000 2.853 355 T HA 0.284 4.629 4.350 -0.009 0.000 0.298 355 T C -2.507 171.993 174.700 -0.334 0.000 0.978 355 T CA -0.403 61.404 62.100 -0.488 0.000 1.152 355 T CB 0.657 69.593 68.868 0.112 0.000 0.914 355 T HN 0.233 nan 8.240 nan 0.000 0.539 356 P HA 0.206 nan 4.420 nan 0.000 0.273 356 P C -0.143 177.029 177.300 -0.213 0.000 1.428 356 P CA -0.031 62.893 63.100 -0.293 0.000 0.995 356 P CB 0.856 32.158 31.700 -0.662 0.000 1.286 357 Q N 1.318 121.053 119.800 -0.109 0.000 2.652 357 Q HA 0.099 4.434 4.340 -0.009 0.000 0.211 357 Q C 0.037 175.930 176.000 -0.178 0.000 0.858 357 Q CA 0.253 55.896 55.803 -0.268 0.000 0.895 357 Q CB 0.436 28.801 28.738 -0.621 0.000 1.194 357 Q HN 0.330 nan 8.270 nan 0.000 0.645 358 E N 1.174 121.067 120.200 -0.511 0.000 2.165 358 E HA 0.238 4.583 4.350 -0.009 0.000 0.266 358 E C -1.202 175.099 176.600 -0.499 0.000 0.889 358 E CA -0.268 55.805 56.400 -0.544 0.000 0.756 358 E CB 0.912 29.948 29.700 -1.106 0.000 1.131 358 E HN -0.013 nan 8.360 nan 0.000 0.411 359 R N 2.334 122.490 120.500 -0.572 0.000 2.537 359 R HA 0.242 4.577 4.340 -0.009 0.000 0.280 359 R C -0.455 175.609 176.300 -0.394 0.000 1.058 359 R CA 0.065 55.746 56.100 -0.699 0.000 1.057 359 R CB 0.861 30.721 30.300 -0.733 0.000 0.973 359 R HN 0.389 nan 8.270 nan 0.000 0.438 360 S N 2.331 117.846 115.700 -0.309 0.000 2.596 360 S HA 0.104 4.569 4.470 -0.009 0.000 0.318 360 S C -0.438 174.083 174.600 -0.132 0.000 1.097 360 S CA -0.509 57.584 58.200 -0.177 0.000 1.080 360 S CB 0.761 63.886 63.200 -0.126 0.000 0.991 360 S HN 0.719 nan 8.310 nan 0.000 0.471 361 Q N 2.939 122.682 119.800 -0.094 0.000 2.475 361 Q HA -0.226 4.109 4.340 -0.009 0.000 0.280 361 Q C 0.958 176.903 176.000 -0.092 0.000 1.234 361 Q CA 0.839 56.604 55.803 -0.064 0.000 0.873 361 Q CB -1.925 26.801 28.738 -0.020 0.000 1.256 361 Q HN 1.593 nan 8.270 nan 0.000 0.475 362 G N -2.323 106.391 108.800 -0.143 0.000 2.212 362 G HA2 -0.327 3.628 3.960 -0.009 0.000 0.266 362 G HA3 -0.327 3.628 3.960 -0.009 0.000 0.266 362 G C 0.179 174.956 174.900 -0.205 0.000 0.978 362 G CA 0.225 45.229 45.100 -0.160 0.000 0.632 362 G HN 0.420 nan 8.290 nan 0.000 0.537 363 V N 0.543 120.332 119.914 -0.209 0.000 2.769 363 V HA 0.653 4.768 4.120 -0.009 0.000 0.312 363 V C 0.060 176.000 176.094 -0.256 0.000 1.061 363 V CA -0.972 61.222 62.300 -0.178 0.000 0.931 363 V CB 1.702 33.486 31.823 -0.065 0.000 1.010 363 V HN 0.187 nan 8.190 nan 0.000 0.433 364 F N 4.715 124.617 119.950 -0.080 0.000 2.613 364 F HA 0.330 4.849 4.527 -0.012 0.000 0.341 364 F C 0.803 176.530 175.800 -0.121 0.000 1.288 364 F CA 0.228 58.158 58.000 -0.117 0.000 1.103 364 F CB -0.069 38.869 39.000 -0.103 0.000 1.423 364 F HN 0.562 nan 8.300 nan 0.000 0.651 365 Q N 1.992 121.768 119.800 -0.040 0.000 2.462 365 Q HA 0.709 5.044 4.340 -0.009 0.000 0.285 365 Q C -1.746 174.197 176.000 -0.095 0.000 1.035 365 Q CA -1.083 54.682 55.803 -0.064 0.000 0.799 365 Q CB 2.364 31.045 28.738 -0.095 0.000 1.452 365 Q HN 0.408 nan 8.270 nan 0.000 0.404 366 C N 1.050 120.303 119.300 -0.078 0.000 2.716 366 C HA 0.845 5.300 4.460 -0.009 0.000 0.366 366 C C 0.198 175.167 174.990 -0.035 0.000 1.073 366 C CA 1.166 60.151 59.018 -0.056 0.000 1.260 366 C CB 0.523 28.238 27.740 -0.041 0.000 1.755 366 C HN 1.407 nan 8.230 nan 0.000 0.475 367 G N 6.607 115.403 108.800 -0.006 0.000 2.655 367 G HA2 0.035 3.990 3.960 -0.009 0.000 0.680 367 G HA3 0.035 3.990 3.960 -0.009 0.000 0.680 367 G C -3.252 171.593 174.900 -0.092 0.000 1.302 367 G CA -0.415 44.700 45.100 0.026 0.000 0.872 367 G HN 0.723 nan 8.290 nan 0.000 0.540 368 P HA 0.512 nan 4.420 nan 0.000 0.276 368 P C -0.371 177.062 177.300 0.222 0.000 1.230 368 P CA 0.582 63.790 63.100 0.181 0.000 0.776 368 P CB 1.489 33.397 31.700 0.346 0.000 0.888 369 A N 2.629 125.517 122.820 0.113 0.000 2.319 369 A HA 0.421 4.736 4.320 -0.009 0.000 0.310 369 A C 0.285 177.885 177.584 0.027 0.000 1.152 369 A CA -0.716 51.367 52.037 0.077 0.000 0.783 369 A CB 0.744 19.773 19.000 0.049 0.000 1.184 369 A HN 0.477 nan 8.150 nan 0.000 0.474 370 S N 2.372 118.082 115.700 0.018 0.000 2.515 370 S HA 0.140 4.605 4.470 -0.009 0.000 0.285 370 S C 1.401 176.004 174.600 0.004 0.000 1.265 370 S CA -0.219 57.988 58.200 0.011 0.000 1.079 370 S CB 0.047 63.305 63.200 0.096 0.000 0.877 370 S HN 0.749 nan 8.310 nan 0.000 0.493 371 V N 7.425 127.303 119.914 -0.061 0.000 2.332 371 V HA -0.201 3.914 4.120 -0.009 0.000 0.248 371 V C 2.174 178.197 176.094 -0.118 0.000 1.055 371 V CA 2.104 64.280 62.300 -0.206 0.000 1.038 371 V CB -0.717 30.907 31.823 -0.332 0.000 0.651 371 V HN 0.904 nan 8.190 nan 0.000 0.450 372 I N 0.720 121.270 120.570 -0.033 0.000 2.163 372 I HA -0.213 3.952 4.170 -0.009 0.000 0.243 372 I C 2.611 178.801 176.117 0.121 0.000 1.085 372 I CA 1.892 63.197 61.300 0.009 0.000 1.347 372 I CB -0.977 37.006 38.000 -0.028 0.000 1.044 372 I HN 0.425 nan 8.210 nan 0.000 0.408 373 G N 0.244 109.194 108.800 0.250 0.000 2.432 373 G HA2 -0.170 3.785 3.960 -0.009 0.000 0.219 373 G HA3 -0.170 3.785 3.960 -0.009 0.000 0.219 373 G C 1.694 176.711 174.900 0.195 0.000 1.135 373 G CA 0.802 46.083 45.100 0.302 0.000 0.767 373 G HN 0.257 nan 8.290 nan 0.000 0.550 374 V N 0.481 120.491 119.914 0.161 0.000 2.307 374 V HA -0.142 3.973 4.120 -0.009 0.000 0.245 374 V C 2.752 179.040 176.094 0.323 0.000 1.045 374 V CA 2.069 64.519 62.300 0.250 0.000 1.024 374 V CB -0.469 31.459 31.823 0.174 0.000 0.651 374 V HN 0.403 nan 8.190 nan 0.000 0.449 375 R N 0.104 120.716 120.500 0.186 0.000 2.105 375 R HA -0.163 4.172 4.340 -0.009 0.000 0.239 375 R C 1.992 178.504 176.300 0.352 0.000 1.135 375 R CA 1.501 57.713 56.100 0.188 0.000 0.967 375 R CB -0.049 30.257 30.300 0.010 0.000 0.861 375 R HN 0.453 nan 8.270 nan 0.000 0.442 376 E N -0.808 119.576 120.200 0.307 0.000 2.489 376 E HA 0.059 4.403 4.350 -0.009 0.000 0.193 376 E C 0.818 177.560 176.600 0.236 0.000 1.057 376 E CA 0.763 57.351 56.400 0.313 0.000 0.866 376 E CB 0.602 30.443 29.700 0.234 0.000 0.916 376 E HN 0.590 nan 8.360 nan 0.000 0.500 377 G N 2.432 111.391 108.800 0.265 0.000 2.176 377 G HA2 -0.224 3.731 3.960 -0.009 0.000 0.252 377 G HA3 -0.224 3.731 3.960 -0.009 0.000 0.252 377 G C -0.287 174.556 174.900 -0.095 0.000 1.024 377 G CA 0.195 45.307 45.100 0.020 0.000 0.755 377 G HN 0.153 nan 8.290 nan 0.000 0.507 378 D N 0.831 121.233 120.400 0.004 0.000 2.845 378 D HA 0.209 4.844 4.640 -0.009 0.000 0.235 378 D C 2.020 178.253 176.300 -0.111 0.000 1.158 378 D CA 0.455 54.426 54.000 -0.049 0.000 0.990 378 D CB 0.391 41.191 40.800 0.001 0.000 1.094 378 D HN 0.618 nan 8.370 nan 0.000 0.486 379 V N -0.415 119.401 119.914 -0.163 0.000 3.541 379 V HA -0.151 3.964 4.120 -0.009 0.000 0.272 379 V C 1.845 177.853 176.094 -0.143 0.000 1.215 379 V CA 0.707 62.913 62.300 -0.156 0.000 1.176 379 V CB -0.457 31.226 31.823 -0.234 0.000 0.854 379 V HN 0.237 nan 8.190 nan 0.000 0.496 380 Q N 0.588 120.298 119.800 -0.150 0.000 2.398 380 Q HA 0.190 4.525 4.340 -0.009 0.000 0.204 380 Q C 0.816 176.710 176.000 -0.176 0.000 0.932 380 Q CA 0.302 56.017 55.803 -0.146 0.000 0.916 380 Q CB -0.136 28.524 28.738 -0.130 0.000 1.024 380 Q HN 0.671 nan 8.270 nan 0.000 0.504 381 L N 2.474 123.571 121.223 -0.210 0.000 2.453 381 L HA 0.221 4.555 4.340 -0.009 0.000 0.261 381 L C 0.352 177.058 176.870 -0.274 0.000 1.179 381 L CA -0.694 53.985 54.840 -0.269 0.000 0.813 381 L CB 0.222 42.065 42.059 -0.360 0.000 1.110 381 L HN 0.010 nan 8.230 nan 0.000 0.466 382 N N 0.896 119.354 118.700 -0.404 0.000 2.530 382 N HA 0.417 5.151 4.740 -0.009 0.000 0.277 382 N C -0.937 174.424 175.510 -0.248 0.000 1.168 382 N CA 0.059 52.719 53.050 -0.649 0.000 0.979 382 N CB 1.025 38.529 38.487 -1.637 0.000 1.141 382 N HN 0.208 nan 8.380 nan 0.000 0.459 383 F N -0.438 119.495 119.950 -0.027 0.000 2.561 383 F HA 0.255 4.778 4.527 -0.007 0.000 0.321 383 F C 0.582 176.370 175.800 -0.020 0.000 1.065 383 F CA -0.830 57.155 58.000 -0.025 0.000 0.934 383 F CB 1.035 40.026 39.000 -0.015 0.000 1.215 383 F HN 0.357 nan 8.300 nan 0.000 0.471 384 D N 1.643 122.137 120.400 0.157 0.000 2.737 384 D HA -0.232 4.403 4.640 -0.009 0.000 0.233 384 D C 1.198 177.561 176.300 0.106 0.000 1.155 384 D CA 0.737 54.804 54.000 0.113 0.000 0.667 384 D CB -0.859 40.009 40.800 0.114 0.000 1.060 384 D HN 0.614 nan 8.370 nan 0.000 0.427 385 M N -1.247 118.386 119.600 0.055 0.000 2.254 385 M HA -0.071 4.404 4.480 -0.009 0.000 0.265 385 M C -0.744 175.601 176.300 0.076 0.000 1.066 385 M CA 1.351 56.682 55.300 0.052 0.000 1.123 385 M CB -0.845 31.758 32.600 0.005 0.000 1.388 385 M HN 0.024 nan 8.290 nan 0.000 0.425 386 P HA -0.173 nan 4.420 nan 0.000 0.215 386 P C 1.373 178.744 177.300 0.119 0.000 1.153 386 P CA 1.214 64.341 63.100 0.046 0.000 0.853 386 P CB -0.182 31.526 31.700 0.013 0.000 0.788 387 F N 0.074 120.018 119.950 -0.010 0.000 2.113 387 F HA -0.124 4.391 4.527 -0.020 0.000 0.297 387 F C 1.986 177.749 175.800 -0.061 0.000 1.103 387 F CA 1.414 59.392 58.000 -0.037 0.000 1.248 387 F CB -0.826 38.123 39.000 -0.085 0.000 0.999 387 F HN -0.239 nan 8.300 nan 0.000 0.475 388 I N -0.847 119.599 120.570 -0.206 0.000 2.252 388 I HA -0.275 3.890 4.170 -0.009 0.000 0.245 388 I C 2.373 178.357 176.117 -0.221 0.000 1.102 388 I CA 1.401 62.476 61.300 -0.374 0.000 1.385 388 I CB -0.686 37.186 38.000 -0.213 0.000 1.064 388 I HN 0.181 nan 8.210 nan 0.000 0.414 389 F N 1.934 121.794 119.950 -0.151 0.000 2.126 389 F HA -0.279 4.244 4.527 -0.007 0.000 0.299 389 F C 2.516 178.268 175.800 -0.080 0.000 1.096 389 F CA 1.675 59.637 58.000 -0.063 0.000 1.255 389 F CB -0.196 38.777 39.000 -0.045 0.000 0.997 389 F HN 0.007 nan 8.300 nan 0.000 0.479 390 A N -0.046 122.817 122.820 0.071 0.000 1.972 390 A HA -0.194 4.121 4.320 -0.009 0.000 0.219 390 A C 2.080 179.570 177.584 -0.156 0.000 1.169 390 A CA 1.776 53.814 52.037 0.002 0.000 0.635 390 A CB -0.821 18.183 19.000 0.006 0.000 0.810 390 A HN 0.573 nan 8.150 nan 0.000 0.446 391 E N -0.324 119.673 120.200 -0.339 0.000 2.085 391 E HA -0.154 4.191 4.350 -0.009 0.000 0.194 391 E C 1.905 178.431 176.600 -0.123 0.000 0.994 391 E CA 1.814 58.026 56.400 -0.314 0.000 0.801 391 E CB -0.282 29.130 29.700 -0.481 0.000 0.743 391 E HN 0.682 nan 8.360 nan 0.000 0.453 392 V N -2.070 117.757 119.914 -0.145 0.000 3.590 392 V HA 0.201 4.316 4.120 -0.009 0.000 0.265 392 V C 0.904 176.909 176.094 -0.148 0.000 1.239 392 V CA 0.673 62.913 62.300 -0.101 0.000 1.117 392 V CB 0.287 32.061 31.823 -0.081 0.000 0.818 392 V HN 0.050 nan 8.190 nan 0.000 0.451 393 N N 0.446 119.016 118.700 -0.217 0.000 2.381 393 N HA 0.466 5.200 4.740 -0.009 0.000 0.257 393 N C 0.068 175.645 175.510 0.111 0.000 1.409 393 N CA 0.457 53.424 53.050 -0.138 0.000 0.836 393 N CB 0.942 39.218 38.487 -0.352 0.000 1.384 393 N HN 0.640 nan 8.380 nan 0.000 0.490 394 A N -0.122 122.764 122.820 0.109 0.000 2.386 394 A HA 0.374 4.688 4.320 -0.009 0.000 0.248 394 A C -0.139 177.550 177.584 0.176 0.000 1.082 394 A CA -0.042 52.138 52.037 0.237 0.000 0.789 394 A CB 0.291 19.369 19.000 0.130 0.000 1.025 394 A HN 0.253 nan 8.150 nan 0.000 0.490 395 D N 0.244 120.770 120.400 0.211 0.000 2.283 395 D HA 0.348 4.983 4.640 -0.009 0.000 0.248 395 D C 0.153 176.477 176.300 0.039 0.000 1.072 395 D CA 0.031 54.055 54.000 0.039 0.000 0.929 395 D CB 0.909 41.702 40.800 -0.012 0.000 1.182 395 D HN 0.505 nan 8.370 nan 0.000 0.433 396 R N 2.353 122.841 120.500 -0.019 0.000 2.343 396 R HA 0.464 4.799 4.340 -0.009 0.000 0.320 396 R C -0.935 175.339 176.300 -0.043 0.000 0.956 396 R CA -0.492 55.599 56.100 -0.014 0.000 0.836 396 R CB 0.432 30.712 30.300 -0.034 0.000 1.151 396 R HN 0.416 nan 8.270 nan 0.000 0.450 397 I N 3.604 124.155 120.570 -0.030 0.000 2.378 397 I HA 0.223 4.388 4.170 -0.009 0.000 0.291 397 I C -0.133 175.867 176.117 -0.195 0.000 0.992 397 I CA -0.770 60.443 61.300 -0.145 0.000 1.154 397 I CB 2.281 40.207 38.000 -0.125 0.000 1.315 397 I HN 0.531 nan 8.210 nan 0.000 0.448 398 T N 4.959 119.342 114.554 -0.285 0.000 2.767 398 T HA 0.363 4.708 4.350 -0.009 0.000 0.288 398 T C -0.916 173.549 174.700 -0.392 0.000 0.963 398 T CA -0.259 61.725 62.100 -0.193 0.000 1.019 398 T CB 0.395 69.213 68.868 -0.085 0.000 0.923 398 T HN 0.308 nan 8.240 nan 0.000 0.468 399 W N 2.537 123.672 121.300 -0.276 0.000 2.706 399 W HA 0.640 5.294 4.660 -0.010 0.000 0.346 399 W C -0.722 175.650 176.519 -0.244 0.000 1.071 399 W CA -1.015 56.131 57.345 -0.332 0.000 1.206 399 W CB 1.017 30.104 29.460 -0.622 0.000 1.413 399 W HN 0.162 nan 8.180 nan 0.000 0.542 400 L N 2.869 123.963 121.223 -0.214 0.000 2.322 400 L HA 0.443 4.778 4.340 -0.009 0.000 0.281 400 L C -1.279 175.242 176.870 -0.582 0.000 1.014 400 L CA -1.114 53.392 54.840 -0.556 0.000 0.815 400 L CB 1.087 42.400 42.059 -1.244 0.000 1.247 400 L HN 0.571 nan 8.230 nan 0.000 0.421 401 Y N 3.310 123.381 120.300 -0.382 0.000 2.396 401 Y HA 0.341 4.886 4.550 -0.008 0.000 0.332 401 Y C -0.917 174.922 175.900 -0.102 0.000 1.034 401 Y CA -0.755 57.224 58.100 -0.202 0.000 1.057 401 Y CB 1.675 40.135 38.460 -0.000 0.000 1.220 401 Y HN 0.590 nan 8.280 nan 0.000 0.440 402 D N 6.001 125.937 120.400 -0.773 0.000 2.453 402 D HA 0.075 4.710 4.640 -0.009 0.000 0.238 402 D C 0.215 176.046 176.300 -0.781 0.000 1.088 402 D CA -0.307 53.404 54.000 -0.482 0.000 0.854 402 D CB 0.929 41.700 40.800 -0.049 0.000 1.076 402 D HN 0.927 nan 8.370 nan 0.000 0.533 403 N N 2.864 121.217 118.700 -0.579 0.000 2.166 403 N HA -0.243 4.492 4.740 -0.009 0.000 0.186 403 N C 1.508 176.956 175.510 -0.104 0.000 1.019 403 N CA 2.095 55.010 53.050 -0.224 0.000 0.856 403 N CB -0.992 37.558 38.487 0.105 0.000 0.993 403 N HN 0.477 nan 8.380 nan 0.000 0.426 404 T N -1.779 112.727 114.554 -0.079 0.000 2.778 404 T HA -0.191 4.153 4.350 -0.009 0.000 0.269 404 T C 1.939 176.621 174.700 -0.030 0.000 1.050 404 T CA 2.463 64.543 62.100 -0.032 0.000 1.137 404 T CB -1.081 67.777 68.868 -0.017 0.000 0.860 404 T HN 0.553 nan 8.240 nan 0.000 0.468 405 T N -3.021 111.501 114.554 -0.054 0.000 3.014 405 T HA 0.493 4.838 4.350 -0.009 0.000 0.250 405 T C 1.984 176.673 174.700 -0.018 0.000 1.060 405 T CA 0.757 62.843 62.100 -0.022 0.000 1.040 405 T CB -0.245 68.624 68.868 0.001 0.000 0.971 405 T HN 1.046 nan 8.240 nan 0.000 0.497 406 G N 1.349 110.100 108.800 -0.082 0.000 2.184 406 G HA2 -0.286 3.669 3.960 -0.009 0.000 0.264 406 G HA3 -0.286 3.669 3.960 -0.009 0.000 0.264 406 G C 0.044 174.987 174.900 0.071 0.000 0.975 406 G CA 0.390 45.498 45.100 0.014 0.000 0.642 406 G HN 0.852 nan 8.290 nan 0.000 0.536 407 K N 0.832 121.243 120.400 0.018 0.000 2.270 407 K HA 0.600 4.915 4.320 -0.009 0.000 0.276 407 K C 0.196 176.991 176.600 0.326 0.000 1.023 407 K CA -0.178 56.236 56.287 0.212 0.000 0.955 407 K CB 0.679 33.337 32.500 0.263 0.000 0.975 407 K HN 0.378 nan 8.250 nan 0.000 0.471 408 Q N 3.910 124.009 119.800 0.498 0.000 2.372 408 Q HA 0.584 4.919 4.340 -0.009 0.000 0.273 408 Q C -1.859 174.561 176.000 0.701 0.000 1.078 408 Q CA -0.903 55.223 55.803 0.539 0.000 0.806 408 Q CB 1.237 30.236 28.738 0.436 0.000 1.332 408 Q HN 0.745 nan 8.270 nan 0.000 0.435 409 W N 2.628 124.211 121.300 0.471 0.000 3.439 409 W HA 0.439 5.095 4.660 -0.007 0.000 0.323 409 W C -1.583 175.084 176.519 0.246 0.000 1.174 409 W CA -1.031 56.533 57.345 0.365 0.000 1.224 409 W CB 0.528 30.092 29.460 0.174 0.000 1.348 409 W HN 0.470 nan 8.180 nan 0.000 0.498 410 K N 3.535 123.955 120.400 0.033 0.000 2.451 410 K HA -0.052 4.262 4.320 -0.009 0.000 0.280 410 K C 0.552 177.000 176.600 -0.253 0.000 1.020 410 K CA 0.325 56.202 56.287 -0.683 0.000 1.008 410 K CB 0.701 32.674 32.500 -0.878 0.000 0.917 410 K HN 0.786 nan 8.250 nan 0.000 0.478 411 N N 1.772 120.280 118.700 -0.319 0.000 2.482 411 N HA -0.052 4.683 4.740 -0.009 0.000 0.179 411 N C -0.799 174.625 175.510 -0.143 0.000 1.039 411 N CA 0.743 53.716 53.050 -0.128 0.000 0.884 411 N CB 0.415 38.838 38.487 -0.107 0.000 1.113 411 N HN 0.696 nan 8.380 nan 0.000 0.440 412 S N -1.076 114.489 115.700 -0.225 0.000 2.627 412 S HA 0.445 4.910 4.470 -0.009 0.000 0.268 412 S C -1.432 173.055 174.600 -0.188 0.000 1.130 412 S CA -0.884 57.218 58.200 -0.163 0.000 0.819 412 S CB 1.798 64.939 63.200 -0.098 0.000 1.100 412 S HN -0.140 nan 8.310 nan 0.000 0.465 413 V N 2.143 121.980 119.914 -0.127 0.000 2.483 413 V HA 0.608 4.723 4.120 -0.009 0.000 0.297 413 V C -0.881 175.170 176.094 -0.073 0.000 1.027 413 V CA -0.602 61.631 62.300 -0.112 0.000 0.855 413 V CB 1.653 33.415 31.823 -0.101 0.000 0.995 413 V HN 0.908 nan 8.190 nan 0.000 0.424 414 N N 2.530 121.180 118.700 -0.083 0.000 2.446 414 N HA 0.235 4.970 4.740 -0.009 0.000 0.265 414 N C 0.656 176.092 175.510 -0.123 0.000 0.975 414 N CA -0.051 52.943 53.050 -0.094 0.000 0.928 414 N CB 2.103 40.483 38.487 -0.177 0.000 1.160 414 N HN 0.702 nan 8.380 nan 0.000 0.495 415 S N 1.993 117.655 115.700 -0.063 0.000 2.557 415 S HA 0.036 4.500 4.470 -0.009 0.000 0.223 415 S C 0.878 175.444 174.600 -0.056 0.000 0.969 415 S CA -0.129 57.998 58.200 -0.122 0.000 0.927 415 S CB -0.364 62.722 63.200 -0.190 0.000 0.806 415 S HN 0.751 nan 8.310 nan 0.000 0.489 416 H N -1.765 117.256 119.070 -0.081 0.000 3.360 416 H HA 0.281 4.832 4.556 -0.008 0.000 0.262 416 H C 1.390 176.687 175.328 -0.051 0.000 1.149 416 H CA 0.610 56.618 56.048 -0.065 0.000 1.181 416 H CB -0.284 29.441 29.762 -0.060 0.000 1.564 416 H HN 0.340 nan 8.280 nan 0.000 0.565 417 T N 1.130 115.298 114.554 -0.643 0.000 2.942 417 T HA 0.110 4.455 4.350 -0.009 0.000 0.265 417 T C 0.963 175.579 174.700 -0.141 0.000 1.062 417 T CA 0.017 61.874 62.100 -0.404 0.000 1.139 417 T CB -0.179 68.459 68.868 -0.384 0.000 0.883 417 T HN 0.118 nan 8.240 nan 0.000 0.468 418 I N 2.039 122.547 120.570 -0.103 0.000 2.496 418 I HA 0.333 4.497 4.170 -0.009 0.000 0.285 418 I C 1.355 177.457 176.117 -0.024 0.000 1.080 418 I CA 0.577 61.859 61.300 -0.031 0.000 1.404 418 I CB -0.158 37.831 38.000 -0.017 0.000 1.403 418 I HN 0.504 nan 8.210 nan 0.000 0.539 419 G N 6.986 115.791 108.800 0.008 0.000 2.689 419 G HA2 -0.226 3.729 3.960 -0.009 0.000 0.273 419 G HA3 -0.226 3.729 3.960 -0.009 0.000 0.273 419 G C -0.112 174.772 174.900 -0.027 0.000 1.062 419 G CA -0.570 44.529 45.100 -0.002 0.000 1.279 419 G HN 0.693 nan 8.290 nan 0.000 0.547 420 R N -0.257 120.247 120.500 0.007 0.000 2.807 420 R HA 0.577 4.912 4.340 -0.009 0.000 0.276 420 R C 0.344 176.644 176.300 -0.001 0.000 0.979 420 R CA -1.237 54.772 56.100 -0.151 0.000 0.928 420 R CB 1.237 31.359 30.300 -0.296 0.000 1.191 420 R HN 0.507 nan 8.270 nan 0.000 0.471 421 Y N 0.291 120.605 120.300 0.025 0.000 3.054 421 Y HA -0.244 4.297 4.550 -0.014 0.000 0.210 421 Y C 0.147 176.117 175.900 0.117 0.000 1.212 421 Y CA -0.241 57.849 58.100 -0.016 0.000 1.118 421 Y CB -1.680 36.630 38.460 -0.250 0.000 1.292 421 Y HN 0.480 nan 8.280 nan 0.000 0.533 422 I N 1.222 121.864 120.570 0.119 0.000 2.664 422 I HA -0.016 4.149 4.170 -0.009 0.000 0.284 422 I C 0.562 176.670 176.117 -0.015 0.000 1.154 422 I CA 0.790 62.076 61.300 -0.023 0.000 1.402 422 I CB 0.267 38.173 38.000 -0.156 0.000 1.395 422 I HN 0.207 nan 8.210 nan 0.000 0.545 423 S N 4.125 119.804 115.700 -0.034 0.000 2.600 423 S HA 0.709 5.174 4.470 -0.009 0.000 0.300 423 S C -0.233 174.358 174.600 -0.015 0.000 1.087 423 S CA -0.688 57.466 58.200 -0.077 0.000 0.965 423 S CB 2.478 65.548 63.200 -0.217 0.000 1.089 423 S HN 0.686 nan 8.310 nan 0.000 0.496 424 T N 0.866 115.444 114.554 0.040 0.000 2.889 424 T HA 0.380 4.725 4.350 -0.009 0.000 0.315 424 T C -1.346 173.546 174.700 0.320 0.000 1.291 424 T CA -0.774 61.418 62.100 0.153 0.000 1.028 424 T CB 1.186 70.039 68.868 -0.025 0.000 1.235 424 T HN 0.629 nan 8.240 nan 0.000 0.491 425 K N 2.432 123.052 120.400 0.367 0.000 2.448 425 K HA 0.526 4.841 4.320 -0.009 0.000 0.278 425 K C 0.333 177.053 176.600 0.200 0.000 1.009 425 K CA -0.259 56.224 56.287 0.326 0.000 0.995 425 K CB 0.401 33.000 32.500 0.166 0.000 0.917 425 K HN 0.690 nan 8.250 nan 0.000 0.481 426 A N 3.318 126.235 122.820 0.161 0.000 2.366 426 A HA 0.188 4.503 4.320 -0.009 0.000 0.249 426 A C -0.321 177.286 177.584 0.038 0.000 1.084 426 A CA -0.604 51.485 52.037 0.087 0.000 0.794 426 A CB 0.588 19.626 19.000 0.063 0.000 1.034 426 A HN 0.563 nan 8.150 nan 0.000 0.491 427 V N 1.829 121.735 119.914 -0.013 0.000 2.446 427 V HA 0.419 4.534 4.120 -0.009 0.000 0.276 427 V C 1.537 177.590 176.094 -0.068 0.000 1.030 427 V CA 1.603 63.838 62.300 -0.109 0.000 1.033 427 V CB -0.187 31.538 31.823 -0.163 0.000 0.993 427 V HN 1.886 nan 8.190 nan 0.000 0.477 428 G N 4.067 112.828 108.800 -0.065 0.000 2.179 428 G HA2 -0.216 3.739 3.960 -0.009 0.000 0.260 428 G HA3 -0.216 3.739 3.960 -0.009 0.000 0.260 428 G C 0.210 175.108 174.900 -0.004 0.000 0.977 428 G CA 0.574 45.654 45.100 -0.033 0.000 0.641 428 G HN 1.492 nan 8.290 nan 0.000 0.533 429 S N -1.941 113.765 115.700 0.010 0.000 2.688 429 S HA 0.645 5.110 4.470 -0.009 0.000 0.275 429 S C 0.140 174.768 174.600 0.045 0.000 1.175 429 S CA -0.071 58.143 58.200 0.024 0.000 0.818 429 S CB 1.179 64.392 63.200 0.022 0.000 1.157 429 S HN 0.017 nan 8.310 nan 0.000 0.482 430 N N 0.740 119.470 118.700 0.049 0.000 2.322 430 N HA 0.361 5.096 4.740 -0.009 0.000 0.194 430 N C 0.513 176.115 175.510 0.153 0.000 1.126 430 N CA 0.399 53.490 53.050 0.068 0.000 0.845 430 N CB 0.134 38.636 38.487 0.025 0.000 0.976 430 N HN 0.824 nan 8.380 nan 0.000 0.475 431 A N 0.790 123.686 122.820 0.126 0.000 2.448 431 A HA 0.154 4.469 4.320 -0.009 0.000 0.239 431 A C 0.681 178.381 177.584 0.193 0.000 1.080 431 A CA -0.266 51.845 52.037 0.123 0.000 0.779 431 A CB 0.374 19.403 19.000 0.049 0.000 1.026 431 A HN 0.268 nan 8.150 nan 0.000 0.499 432 R N 1.694 122.207 120.500 0.021 0.000 2.234 432 R HA 0.419 4.754 4.340 -0.009 0.000 0.324 432 R C -0.517 175.663 176.300 -0.201 0.000 1.054 432 R CA -0.139 55.760 56.100 -0.334 0.000 0.912 432 R CB 0.360 30.179 30.300 -0.802 0.000 1.030 432 R HN 0.818 nan 8.270 nan 0.000 0.455 433 M N 4.611 124.137 119.600 -0.124 0.000 2.129 433 M HA 0.148 4.623 4.480 -0.009 0.000 0.348 433 M C -0.944 175.303 176.300 -0.087 0.000 1.116 433 M CA -0.457 54.807 55.300 -0.061 0.000 1.022 433 M CB 1.201 33.807 32.600 0.010 0.000 1.599 433 M HN 0.574 nan 8.290 nan 0.000 0.449 434 D N 4.634 124.995 120.400 -0.066 0.000 2.295 434 D HA 0.215 4.850 4.640 -0.009 0.000 0.248 434 D C 0.272 176.575 176.300 0.004 0.000 1.154 434 D CA -0.041 53.940 54.000 -0.032 0.000 0.857 434 D CB 1.206 42.005 40.800 -0.001 0.000 1.117 434 D HN 0.573 nan 8.370 nan 0.000 0.468 435 V N 1.442 121.370 119.914 0.022 0.000 3.006 435 V HA 0.147 4.262 4.120 -0.009 0.000 0.357 435 V C 1.457 177.633 176.094 0.137 0.000 1.377 435 V CA -0.322 62.018 62.300 0.068 0.000 1.198 435 V CB 0.002 31.866 31.823 0.069 0.000 1.216 435 V HN 0.399 nan 8.190 nan 0.000 0.520 436 T N 0.633 115.237 114.554 0.083 0.000 2.720 436 T HA -0.172 4.173 4.350 -0.009 0.000 0.268 436 T C 1.395 176.150 174.700 0.091 0.000 1.037 436 T CA 2.317 64.466 62.100 0.082 0.000 1.144 436 T CB -0.339 68.536 68.868 0.011 0.000 0.864 436 T HN 0.537 nan 8.240 nan 0.000 0.444 437 D N 0.636 121.062 120.400 0.042 0.000 2.351 437 D HA -0.026 4.609 4.640 -0.009 0.000 0.216 437 D C 2.022 178.305 176.300 -0.028 0.000 0.968 437 D CA 0.650 54.647 54.000 -0.006 0.000 0.899 437 D CB -0.014 40.776 40.800 -0.018 0.000 0.907 437 D HN 0.232 nan 8.370 nan 0.000 0.514 438 K N -0.605 119.814 120.400 0.032 0.000 2.314 438 K HA 0.003 4.318 4.320 -0.009 0.000 0.198 438 K C 1.336 177.882 176.600 -0.091 0.000 1.045 438 K CA 0.345 56.616 56.287 -0.028 0.000 0.988 438 K CB 0.006 32.499 32.500 -0.011 0.000 0.783 438 K HN 0.317 nan 8.250 nan 0.000 0.484 439 Y N 1.137 121.433 120.300 -0.006 0.000 2.497 439 Y HA 0.035 4.574 4.550 -0.017 0.000 0.265 439 Y C 0.530 176.418 175.900 -0.020 0.000 1.111 439 Y CA 0.101 58.208 58.100 0.012 0.000 1.288 439 Y CB 0.606 39.091 38.460 0.043 0.000 1.082 439 Y HN -0.047 nan 8.280 nan 0.000 0.536 440 K N -2.602 117.852 120.400 0.089 0.000 2.607 440 K HA 0.321 4.636 4.320 -0.009 0.000 0.287 440 K C -1.774 174.825 176.600 -0.001 0.000 0.996 440 K CA -0.958 55.370 56.287 0.070 0.000 0.876 440 K CB 0.787 33.327 32.500 0.067 0.000 1.496 440 K HN -0.225 nan 8.250 nan 0.000 0.415 441 Y N 0.677 121.021 120.300 0.073 0.000 2.314 441 Y HA 0.257 4.803 4.550 -0.007 0.000 0.334 441 Y C -1.977 173.949 175.900 0.042 0.000 1.266 441 Y CA -1.720 56.416 58.100 0.060 0.000 1.391 441 Y CB 0.493 38.994 38.460 0.069 0.000 1.306 441 Y HN 0.449 nan 8.280 nan 0.000 0.558 442 P HA -0.052 nan 4.420 nan 0.000 0.261 442 P C -0.744 176.605 177.300 0.083 0.000 1.183 442 P CA 0.186 63.340 63.100 0.091 0.000 0.761 442 P CB 0.413 32.157 31.700 0.075 0.000 0.785 443 E N 2.299 122.527 120.200 0.047 0.000 2.452 443 E HA 0.151 4.496 4.350 -0.009 0.000 0.261 443 E C 1.609 178.218 176.600 0.014 0.000 0.987 443 E CA 1.308 57.730 56.400 0.037 0.000 0.926 443 E CB -0.031 29.691 29.700 0.036 0.000 0.934 443 E HN 0.795 nan 8.360 nan 0.000 0.452 444 G N 2.348 111.151 108.800 0.005 0.000 2.213 444 G HA2 -0.296 3.659 3.960 -0.009 0.000 0.236 444 G HA3 -0.296 3.659 3.960 -0.009 0.000 0.236 444 G C 0.401 175.302 174.900 0.001 0.000 0.991 444 G CA 0.387 45.478 45.100 -0.016 0.000 0.629 444 G HN 0.718 nan 8.290 nan 0.000 0.517 445 S N 0.077 115.793 115.700 0.027 0.000 2.616 445 S HA 0.588 5.053 4.470 -0.009 0.000 0.277 445 S C 0.839 175.448 174.600 0.015 0.000 1.234 445 S CA 0.261 58.480 58.200 0.032 0.000 1.028 445 S CB 1.856 65.100 63.200 0.073 0.000 0.988 445 S HN 0.062 nan 8.310 nan 0.000 0.522 446 D N 1.280 121.679 120.400 -0.003 0.000 2.178 446 D HA -0.094 4.540 4.640 -0.009 0.000 0.202 446 D C 1.798 178.072 176.300 -0.043 0.000 0.974 446 D CA 1.299 55.289 54.000 -0.017 0.000 0.841 446 D CB -0.184 40.604 40.800 -0.021 0.000 0.953 446 D HN 0.586 nan 8.370 nan 0.000 0.478 447 Q N 1.002 120.746 119.800 -0.093 0.000 2.014 447 Q HA -0.173 4.162 4.340 -0.009 0.000 0.207 447 Q C 2.017 177.922 176.000 -0.158 0.000 0.993 447 Q CA 1.095 56.733 55.803 -0.275 0.000 0.850 447 Q CB -0.479 27.917 28.738 -0.570 0.000 0.916 447 Q HN 0.239 nan 8.270 nan 0.000 0.417 448 E N 0.528 120.742 120.200 0.022 0.000 2.136 448 E HA -0.284 4.061 4.350 -0.009 0.000 0.202 448 E C 2.008 178.701 176.600 0.155 0.000 1.019 448 E CA 1.574 58.066 56.400 0.154 0.000 0.819 448 E CB 0.028 29.813 29.700 0.141 0.000 0.739 448 E HN 0.105 nan 8.360 nan 0.000 0.458 449 R N 0.284 120.834 120.500 0.082 0.000 2.066 449 R HA -0.059 4.276 4.340 -0.009 0.000 0.232 449 R C 2.613 178.999 176.300 0.144 0.000 1.131 449 R CA 1.930 58.088 56.100 0.096 0.000 0.955 449 R CB -0.288 30.029 30.300 0.030 0.000 0.851 449 R HN 0.261 nan 8.270 nan 0.000 0.432 450 Q N -0.751 119.082 119.800 0.056 0.000 2.096 450 Q HA -0.142 4.193 4.340 -0.009 0.000 0.204 450 Q C 2.015 178.050 176.000 0.058 0.000 0.982 450 Q CA 1.782 57.604 55.803 0.032 0.000 0.850 450 Q CB -0.110 28.604 28.738 -0.040 0.000 0.901 450 Q HN 0.163 nan 8.270 nan 0.000 0.422 451 V N 0.454 120.411 119.914 0.073 0.000 2.427 451 V HA -0.235 3.880 4.120 -0.009 0.000 0.248 451 V C 1.863 178.077 176.094 0.200 0.000 1.051 451 V CA 1.633 64.012 62.300 0.131 0.000 1.048 451 V CB -0.588 31.372 31.823 0.228 0.000 0.666 451 V HN 0.308 nan 8.190 nan 0.000 0.456 452 F N 0.912 120.965 119.950 0.172 0.000 2.095 452 F HA -0.222 4.299 4.527 -0.011 0.000 0.298 452 F C 2.615 178.449 175.800 0.057 0.000 1.104 452 F CA 1.861 59.984 58.000 0.205 0.000 1.232 452 F CB -0.172 38.937 39.000 0.182 0.000 0.987 452 F HN 0.097 nan 8.300 nan 0.000 0.475 453 Q N 0.674 120.597 119.800 0.206 0.000 2.167 453 Q HA -0.215 4.120 4.340 -0.009 0.000 0.202 453 Q C 2.240 178.201 176.000 -0.064 0.000 0.970 453 Q CA 1.525 57.370 55.803 0.071 0.000 0.855 453 Q CB -0.587 28.217 28.738 0.111 0.000 0.911 453 Q HN 0.525 nan 8.270 nan 0.000 0.438 454 K N 0.589 120.950 120.400 -0.065 0.000 1.985 454 K HA -0.125 4.190 4.320 -0.009 0.000 0.210 454 K C 2.027 178.505 176.600 -0.204 0.000 1.047 454 K CA 1.378 57.604 56.287 -0.103 0.000 0.932 454 K CB -0.109 32.349 32.500 -0.069 0.000 0.716 454 K HN 0.103 nan 8.250 nan 0.000 0.439 455 A N 1.362 123.973 122.820 -0.347 0.000 1.902 455 A HA -0.155 4.160 4.320 -0.009 0.000 0.217 455 A C 2.068 179.388 177.584 -0.439 0.000 1.181 455 A CA 1.441 53.154 52.037 -0.539 0.000 0.623 455 A CB -0.652 17.658 19.000 -1.150 0.000 0.818 455 A HN 0.432 nan 8.150 nan 0.000 0.443 456 L N 0.177 121.136 121.223 -0.440 0.000 2.083 456 L HA -0.004 4.331 4.340 -0.009 0.000 0.209 456 L C 2.306 179.064 176.870 -0.187 0.000 1.083 456 L CA 2.193 56.837 54.840 -0.327 0.000 0.752 456 L CB -1.065 40.795 42.059 -0.330 0.000 0.899 456 L HN 0.287 nan 8.230 nan 0.000 0.433 457 G N -0.905 107.800 108.800 -0.158 0.000 2.422 457 G HA2 -0.234 3.721 3.960 -0.009 0.000 0.218 457 G HA3 -0.234 3.721 3.960 -0.009 0.000 0.218 457 G C 1.673 176.509 174.900 -0.107 0.000 1.140 457 G CA 0.678 45.717 45.100 -0.102 0.000 0.775 457 G HN 0.421 nan 8.290 nan 0.000 0.545 458 K N -0.255 120.059 120.400 -0.142 0.000 2.155 458 K HA 0.164 4.479 4.320 -0.009 0.000 0.203 458 K C 2.336 178.863 176.600 -0.121 0.000 1.052 458 K CA 0.494 56.703 56.287 -0.131 0.000 0.948 458 K CB -0.134 32.269 32.500 -0.161 0.000 0.728 458 K HN 0.271 nan 8.250 nan 0.000 0.448 459 L N 0.311 121.451 121.223 -0.137 0.000 2.209 459 L HA -0.025 4.309 4.340 -0.009 0.000 0.207 459 L C 0.342 177.166 176.870 -0.077 0.000 1.094 459 L CA 0.871 55.647 54.840 -0.108 0.000 0.790 459 L CB 0.130 42.116 42.059 -0.121 0.000 0.932 459 L HN -0.036 nan 8.230 nan 0.000 0.447 460 K N 0.208 120.562 120.400 -0.075 0.000 2.723 460 K HA 0.354 4.669 4.320 -0.009 0.000 0.229 460 K C -2.390 174.183 176.600 -0.044 0.000 1.022 460 K CA -1.347 54.910 56.287 -0.050 0.000 1.045 460 K CB 1.643 34.121 32.500 -0.036 0.000 1.227 460 K HN -0.165 nan 8.250 nan 0.000 0.516 480 P HA 0.189 nan 4.420 nan 0.000 0.267 480 P C 0.027 177.327 177.300 0.000 0.000 1.205 480 P CA 0.239 63.339 63.100 -0.001 0.000 0.765 480 P CB 1.375 33.075 31.700 -0.001 0.000 0.828 481 S N 1.567 117.268 115.700 0.002 0.000 2.406 481 S HA 0.006 4.471 4.470 -0.009 0.000 0.228 481 S C 0.960 175.563 174.600 0.005 0.000 1.020 481 S CA 0.673 58.875 58.200 0.003 0.000 0.965 481 S CB -0.055 63.148 63.200 0.004 0.000 0.798 481 S HN 0.374 nan 8.310 nan 0.000 0.488 482 I N 2.644 123.218 120.570 0.006 0.000 2.392 482 I HA 0.450 4.615 4.170 -0.009 0.000 0.295 482 I C -0.145 175.975 176.117 0.006 0.000 0.985 482 I CA -1.023 60.282 61.300 0.008 0.000 1.221 482 I CB 1.119 39.125 38.000 0.010 0.000 1.366 482 I HN 0.166 nan 8.210 nan 0.000 0.467 483 I N 1.962 122.536 120.570 0.008 0.000 2.647 483 I HA 0.947 5.112 4.170 -0.009 0.000 0.295 483 I C -0.173 175.951 176.117 0.011 0.000 1.078 483 I CA -0.528 60.777 61.300 0.007 0.000 1.048 483 I CB 2.311 40.315 38.000 0.006 0.000 1.239 483 I HN 0.540 nan 8.210 nan 0.000 0.421 484 G N 3.259 112.065 108.800 0.010 0.000 2.642 484 G HA2 0.711 4.666 3.960 -0.009 0.000 0.293 484 G HA3 0.711 4.666 3.960 -0.009 0.000 0.293 484 G C -1.826 173.085 174.900 0.018 0.000 1.341 484 G CA -0.858 44.251 45.100 0.016 0.000 0.916 484 G HN 0.801 nan 8.290 nan 0.000 0.474 485 K N 0.372 120.787 120.400 0.025 0.000 2.550 485 K HA 0.512 4.827 4.320 -0.009 0.000 0.252 485 K C -1.474 175.147 176.600 0.035 0.000 0.943 485 K CA -0.583 55.721 56.287 0.028 0.000 0.806 485 K CB 1.606 34.122 32.500 0.026 0.000 1.289 485 K HN 0.360 nan 8.250 nan 0.000 0.435 486 L N 4.496 125.741 121.223 0.037 0.000 2.276 486 L HA 0.500 4.835 4.340 -0.009 0.000 0.286 486 L C -0.127 176.763 176.870 0.034 0.000 1.061 486 L CA -0.662 54.203 54.840 0.041 0.000 0.807 486 L CB 1.039 43.126 42.059 0.047 0.000 1.177 486 L HN 0.451 nan 8.230 nan 0.000 0.429 487 K N 2.852 123.269 120.400 0.029 0.000 2.259 487 K HA 0.468 4.783 4.320 -0.009 0.000 0.252 487 K C -0.885 175.723 176.600 0.013 0.000 0.936 487 K CA -0.799 55.500 56.287 0.021 0.000 0.810 487 K CB 2.646 35.158 32.500 0.020 0.000 1.143 487 K HN 0.169 nan 8.250 nan 0.000 0.427 488 V N 2.544 122.463 119.914 0.009 0.000 2.455 488 V HA 0.094 4.209 4.120 -0.009 0.000 0.273 488 V C 1.182 177.277 176.094 0.001 0.000 1.045 488 V CA 0.099 62.400 62.300 0.002 0.000 0.976 488 V CB 0.828 32.652 31.823 0.002 0.000 0.993 488 V HN 0.924 nan 8.190 nan 0.000 0.475 489 A N 3.958 126.776 122.820 -0.003 0.000 2.220 489 A HA 0.651 4.965 4.320 -0.009 0.000 0.211 489 A C 1.013 178.596 177.584 -0.002 0.000 1.176 489 A CA 0.770 52.806 52.037 -0.002 0.000 0.834 489 A CB 0.094 19.092 19.000 -0.003 0.000 0.868 489 A HN 1.013 nan 8.150 nan 0.000 0.488 490 G N -1.832 106.967 108.800 -0.002 0.000 2.663 490 G HA2 0.466 4.421 3.960 -0.009 0.000 0.299 490 G HA3 0.466 4.421 3.960 -0.009 0.000 0.299 490 G C -0.584 174.317 174.900 0.002 0.000 1.372 490 G CA -0.594 44.506 45.100 0.001 0.000 0.781 490 G HN 0.162 nan 8.290 nan 0.000 0.491 491 M N 0.598 120.201 119.600 0.004 0.000 2.248 491 M HA 0.383 4.858 4.480 -0.009 0.000 0.345 491 M C -0.942 175.367 176.300 0.014 0.000 1.243 491 M CA 0.207 55.511 55.300 0.006 0.000 1.090 491 M CB 0.150 32.753 32.600 0.005 0.000 1.683 491 M HN 0.258 nan 8.290 nan 0.000 0.450 492 L N 5.465 126.696 121.223 0.013 0.000 2.295 492 L HA 0.710 5.045 4.340 -0.009 0.000 0.281 492 L C -0.655 176.234 176.870 0.032 0.000 1.018 492 L CA -0.617 54.232 54.840 0.016 0.000 0.841 492 L CB 1.149 43.207 42.059 -0.000 0.000 1.218 492 L HN 0.853 nan 8.230 nan 0.000 0.424 493 A N 3.016 125.873 122.820 0.062 0.000 2.520 493 A HA 0.645 4.959 4.320 -0.009 0.000 0.298 493 A C -0.684 177.010 177.584 0.184 0.000 1.051 493 A CA -0.544 51.550 52.037 0.096 0.000 0.690 493 A CB 1.720 20.761 19.000 0.067 0.000 1.281 493 A HN 0.251 nan 8.150 nan 0.000 0.402 494 V N 2.204 122.271 119.914 0.254 0.000 2.458 494 V HA 0.420 4.535 4.120 -0.009 0.000 0.287 494 V C 1.487 177.801 176.094 0.366 0.000 1.009 494 V CA 2.004 64.564 62.300 0.434 0.000 1.091 494 V CB -0.140 31.998 31.823 0.526 0.000 0.960 494 V HN 2.130 nan 8.190 nan 0.000 0.476 495 G N 4.574 113.504 108.800 0.218 0.000 2.428 495 G HA2 -0.153 3.802 3.960 -0.009 0.000 0.199 495 G HA3 -0.153 3.802 3.960 -0.009 0.000 0.199 495 G C 0.192 174.982 174.900 -0.183 0.000 1.005 495 G CA -0.304 44.537 45.100 -0.432 0.000 0.671 495 G HN 0.569 nan 8.290 nan 0.000 0.485 496 K N 1.576 122.043 120.400 0.110 0.000 2.095 496 K HA 0.522 4.837 4.320 -0.009 0.000 0.252 496 K C 0.493 177.250 176.600 0.263 0.000 0.977 496 K CA -0.412 55.950 56.287 0.125 0.000 0.900 496 K CB 1.342 33.896 32.500 0.090 0.000 1.060 496 K HN 0.587 nan 8.250 nan 0.000 0.449 497 E N 0.257 120.571 120.200 0.189 0.000 2.392 497 E HA 0.132 4.477 4.350 -0.009 0.000 0.259 497 E C -0.745 175.964 176.600 0.182 0.000 1.108 497 E CA -0.730 55.804 56.400 0.223 0.000 0.916 497 E CB 0.637 30.409 29.700 0.120 0.000 0.989 497 E HN 0.022 nan 8.360 nan 0.000 0.432 498 V N 2.619 122.629 119.914 0.161 0.000 2.383 498 V HA 0.179 4.294 4.120 -0.009 0.000 0.275 498 V C -0.423 175.655 176.094 -0.027 0.000 1.036 498 V CA -0.729 61.590 62.300 0.033 0.000 0.889 498 V CB 0.815 32.618 31.823 -0.034 0.000 0.985 498 V HN 0.625 nan 8.190 nan 0.000 0.459 499 N N 6.105 124.789 118.700 -0.026 0.000 2.479 499 N HA 0.638 5.373 4.740 -0.009 0.000 0.261 499 N C -1.001 174.484 175.510 -0.042 0.000 0.979 499 N CA -0.276 52.751 53.050 -0.039 0.000 0.930 499 N CB 2.261 40.740 38.487 -0.014 0.000 1.172 499 N HN 0.492 nan 8.380 nan 0.000 0.499 500 L N 0.706 121.891 121.223 -0.063 0.000 2.283 500 L HA 0.745 5.080 4.340 -0.009 0.000 0.259 500 L C -0.435 176.430 176.870 -0.009 0.000 1.027 500 L CA -1.161 53.656 54.840 -0.037 0.000 0.828 500 L CB 2.097 44.123 42.059 -0.055 0.000 1.380 500 L HN -0.023 nan 8.230 nan 0.000 0.425 501 V N 1.709 121.634 119.914 0.019 0.000 2.733 501 V HA 0.334 4.449 4.120 -0.009 0.000 0.306 501 V C -1.001 175.134 176.094 0.069 0.000 1.084 501 V CA -0.450 61.880 62.300 0.049 0.000 0.905 501 V CB 2.390 34.234 31.823 0.035 0.000 1.010 501 V HN 0.459 nan 8.190 nan 0.000 0.424 502 L N 6.525 127.816 121.223 0.114 0.000 2.255 502 L HA 0.567 4.902 4.340 -0.009 0.000 0.289 502 L C -0.645 176.281 176.870 0.093 0.000 1.046 502 L CA 0.301 55.203 54.840 0.103 0.000 0.816 502 L CB 0.590 42.721 42.059 0.121 0.000 1.197 502 L HN 0.545 nan 8.230 nan 0.000 0.427 503 L N 6.608 127.869 121.223 0.063 0.000 2.265 503 L HA 0.452 4.787 4.340 -0.009 0.000 0.288 503 L C -0.517 176.380 176.870 0.045 0.000 1.058 503 L CA -0.297 54.574 54.840 0.052 0.000 0.809 503 L CB 0.894 42.975 42.059 0.038 0.000 1.179 503 L HN 0.544 nan 8.230 nan 0.000 0.429 504 L N 4.275 125.526 121.223 0.047 0.000 2.362 504 L HA 0.610 4.945 4.340 -0.009 0.000 0.271 504 L C -0.433 176.455 176.870 0.030 0.000 1.002 504 L CA -0.649 54.213 54.840 0.037 0.000 0.818 504 L CB 2.378 44.462 42.059 0.041 0.000 1.298 504 L HN 0.533 nan 8.230 nan 0.000 0.420 505 K N 1.968 122.382 120.400 0.023 0.000 2.482 505 K HA 0.330 4.645 4.320 -0.009 0.000 0.251 505 K C -1.252 175.357 176.600 0.015 0.000 0.936 505 K CA -0.736 55.562 56.287 0.019 0.000 0.791 505 K CB 1.875 34.384 32.500 0.016 0.000 1.213 505 K HN 0.464 nan 8.250 nan 0.000 0.428 506 N N 4.665 123.373 118.700 0.014 0.000 2.419 506 N HA 0.195 4.930 4.740 -0.009 0.000 0.264 506 N C -0.023 175.492 175.510 0.008 0.000 1.031 506 N CA -0.265 52.792 53.050 0.011 0.000 0.951 506 N CB 0.700 39.194 38.487 0.012 0.000 1.101 506 N HN 0.664 nan 8.380 nan 0.000 0.488 507 L N 1.359 122.585 121.223 0.006 0.000 2.640 507 L HA 0.185 4.520 4.340 -0.009 0.000 0.230 507 L C 0.952 177.823 176.870 0.003 0.000 1.123 507 L CA -0.188 54.654 54.840 0.004 0.000 0.900 507 L CB -0.343 41.717 42.059 0.002 0.000 1.146 507 L HN 0.488 nan 8.230 nan 0.000 0.484 508 S N -0.654 115.048 115.700 0.003 0.000 2.713 508 S HA 0.328 4.793 4.470 -0.009 0.000 0.277 508 S C 0.893 175.495 174.600 0.003 0.000 1.168 508 S CA -0.687 57.515 58.200 0.002 0.000 0.994 508 S CB 1.188 64.389 63.200 0.002 0.000 1.054 508 S HN 0.158 nan 8.310 nan 0.000 0.555 509 R N -0.053 120.448 120.500 0.002 0.000 2.334 509 R HA 0.280 4.615 4.340 -0.009 0.000 0.216 509 R C -0.684 175.618 176.300 0.003 0.000 0.905 509 R CA 0.104 56.206 56.100 0.002 0.000 1.064 509 R CB -0.026 30.274 30.300 0.001 0.000 1.046 509 R HN 0.595 nan 8.270 nan 0.000 0.508 510 D N 0.180 120.582 120.400 0.003 0.000 2.269 510 D HA 0.141 4.776 4.640 -0.009 0.000 0.244 510 D C -0.365 175.938 176.300 0.005 0.000 0.992 510 D CA -0.305 53.697 54.000 0.003 0.000 0.894 510 D CB 1.742 42.543 40.800 0.002 0.000 1.248 510 D HN -0.241 nan 8.370 nan 0.000 0.468 511 T N 2.424 116.982 114.554 0.006 0.000 2.799 511 T HA 0.147 4.491 4.350 -0.009 0.000 0.296 511 T C 0.283 174.987 174.700 0.008 0.000 0.947 511 T CA -0.241 61.864 62.100 0.008 0.000 1.141 511 T CB 0.358 69.231 68.868 0.008 0.000 0.891 511 T HN -0.055 nan 8.240 nan 0.000 0.533 512 K N 2.988 123.394 120.400 0.010 0.000 2.182 512 K HA 0.399 4.714 4.320 -0.009 0.000 0.262 512 K C -0.110 176.498 176.600 0.013 0.000 0.957 512 K CA -0.617 55.676 56.287 0.010 0.000 0.842 512 K CB 1.889 34.394 32.500 0.010 0.000 1.099 512 K HN 0.385 nan 8.250 nan 0.000 0.438 513 T N 2.074 116.636 114.554 0.012 0.000 2.753 513 T HA 0.287 4.631 4.350 -0.009 0.000 0.297 513 T C -0.140 174.569 174.700 0.015 0.000 0.981 513 T CA -0.524 61.585 62.100 0.015 0.000 0.956 513 T CB 0.608 69.484 68.868 0.013 0.000 0.936 513 T HN 0.135 nan 8.240 nan 0.000 0.463 514 V N 4.189 124.114 119.914 0.019 0.000 2.394 514 V HA 0.407 4.521 4.120 -0.009 0.000 0.282 514 V C 0.599 176.702 176.094 0.016 0.000 1.031 514 V CA -0.793 61.518 62.300 0.018 0.000 0.881 514 V CB 1.591 33.426 31.823 0.019 0.000 0.982 514 V HN 0.819 nan 8.190 nan 0.000 0.451 515 T N 4.680 119.242 114.554 0.013 0.000 2.767 515 T HA 0.541 4.886 4.350 -0.009 0.000 0.288 515 T C -0.262 174.439 174.700 0.001 0.000 0.963 515 T CA -0.227 61.879 62.100 0.010 0.000 1.019 515 T CB 1.227 70.103 68.868 0.014 0.000 0.923 515 T HN 0.415 nan 8.240 nan 0.000 0.468 516 V N 5.286 125.190 119.914 -0.016 0.000 2.448 516 V HA 0.467 4.582 4.120 -0.009 0.000 0.295 516 V C -0.282 175.782 176.094 -0.049 0.000 1.025 516 V CA -1.048 61.229 62.300 -0.039 0.000 0.859 516 V CB 1.626 33.398 31.823 -0.085 0.000 0.988 516 V HN 0.774 nan 8.190 nan 0.000 0.431 517 N N 5.524 124.208 118.700 -0.027 0.000 2.443 517 N HA 0.660 5.395 4.740 -0.009 0.000 0.269 517 N C -0.945 174.561 175.510 -0.006 0.000 0.985 517 N CA -0.327 52.708 53.050 -0.024 0.000 0.921 517 N CB 2.182 40.672 38.487 0.005 0.000 1.195 517 N HN 0.583 nan 8.380 nan 0.000 0.492 518 M N 0.678 120.260 119.600 -0.032 0.000 2.598 518 M HA 0.486 4.961 4.480 -0.009 0.000 0.317 518 M C 0.186 176.502 176.300 0.026 0.000 1.179 518 M CA -0.631 54.703 55.300 0.057 0.000 0.936 518 M CB 2.385 35.090 32.600 0.175 0.000 1.713 518 M HN 0.479 nan 8.290 nan 0.000 0.460 519 T N -0.862 113.840 114.554 0.248 0.000 2.868 519 T HA 0.907 5.252 4.350 -0.009 0.000 0.306 519 T C -1.554 173.474 174.700 0.547 0.000 1.224 519 T CA -0.944 61.348 62.100 0.320 0.000 1.012 519 T CB 1.942 71.043 68.868 0.388 0.000 1.221 519 T HN 0.863 nan 8.240 nan 0.000 0.499 520 A N 1.218 124.375 122.820 0.562 0.000 2.353 520 A HA 0.698 5.012 4.320 -0.009 0.000 0.299 520 A C -1.813 175.997 177.584 0.376 0.000 1.089 520 A CA -0.874 51.459 52.037 0.494 0.000 0.736 520 A CB 0.721 20.011 19.000 0.482 0.000 1.195 520 A HN 0.733 nan 8.150 nan 0.000 0.447 521 W N 1.517 122.927 121.300 0.184 0.000 2.656 521 W HA 0.548 5.202 4.660 -0.009 0.000 0.327 521 W C 0.559 177.162 176.519 0.139 0.000 1.041 521 W CA -0.097 57.334 57.345 0.143 0.000 1.229 521 W CB 2.095 31.612 29.460 0.096 0.000 1.397 521 W HN 0.777 nan 8.180 nan 0.000 0.479 522 T N 1.894 116.650 114.554 0.338 0.000 2.913 522 T HA 0.702 5.046 4.350 -0.009 0.000 0.297 522 T C -0.125 174.749 174.700 0.289 0.000 1.029 522 T CA -0.386 61.879 62.100 0.275 0.000 1.104 522 T CB 0.808 69.834 68.868 0.264 0.000 0.964 522 T HN 0.446 nan 8.240 nan 0.000 0.532 523 I N -1.217 119.488 120.570 0.226 0.000 3.279 523 I HA 0.656 4.821 4.170 -0.009 0.000 0.315 523 I C -1.251 174.967 176.117 0.168 0.000 1.187 523 I CA -1.863 59.547 61.300 0.183 0.000 0.953 523 I CB 1.830 39.917 38.000 0.143 0.000 1.279 523 I HN 0.372 nan 8.210 nan 0.000 0.465 524 I N 2.099 122.741 120.570 0.119 0.000 2.566 524 I HA 0.152 4.317 4.170 -0.009 0.000 0.303 524 I C 0.967 177.128 176.117 0.074 0.000 0.983 524 I CA -0.381 61.006 61.300 0.144 0.000 1.235 524 I CB 1.170 39.227 38.000 0.094 0.000 1.386 524 I HN 0.921 nan 8.210 nan 0.000 0.494 525 Y N 3.889 124.226 120.300 0.061 0.000 2.298 525 Y HA -0.265 4.279 4.550 -0.010 0.000 0.287 525 Y C 1.592 177.377 175.900 -0.191 0.000 1.164 525 Y CA 1.780 59.868 58.100 -0.021 0.000 1.229 525 Y CB -0.946 37.482 38.460 -0.053 0.000 0.977 525 Y HN 0.730 nan 8.280 nan 0.000 0.538 526 N N -0.268 117.754 118.700 -1.130 0.000 2.515 526 N HA 0.135 4.870 4.740 -0.009 0.000 0.185 526 N C 1.497 176.604 175.510 -0.672 0.000 1.109 526 N CA 0.533 52.700 53.050 -1.471 0.000 0.903 526 N CB 0.038 37.095 38.487 -2.383 0.000 0.969 526 N HN 0.538 nan 8.380 nan 0.000 0.450 527 G N -0.535 108.065 108.800 -0.333 0.000 2.179 527 G HA2 -0.245 3.710 3.960 -0.009 0.000 0.220 527 G HA3 -0.245 3.710 3.960 -0.009 0.000 0.220 527 G C 0.011 174.829 174.900 -0.136 0.000 0.990 527 G CA 0.053 45.063 45.100 -0.149 0.000 0.646 527 G HN 0.351 nan 8.290 nan 0.000 0.517 528 T N 2.389 116.844 114.554 -0.166 0.000 2.829 528 T HA 0.391 4.735 4.350 -0.009 0.000 0.293 528 T C 1.014 175.705 174.700 -0.016 0.000 0.970 528 T CA 0.198 62.241 62.100 -0.095 0.000 1.168 528 T CB 0.540 69.369 68.868 -0.064 0.000 0.911 528 T HN 0.338 nan 8.240 nan 0.000 0.535 529 L N 4.500 125.705 121.223 -0.030 0.000 2.367 529 L HA 0.174 4.509 4.340 -0.009 0.000 0.275 529 L C 1.267 178.256 176.870 0.199 0.000 1.129 529 L CA -0.426 54.446 54.840 0.053 0.000 0.839 529 L CB 0.666 42.610 42.059 -0.191 0.000 1.133 529 L HN 0.523 nan 8.230 nan 0.000 0.453 530 V N 1.812 121.924 119.914 0.331 0.000 2.602 530 V HA 0.176 4.291 4.120 -0.009 0.000 0.235 530 V C 0.199 176.470 176.094 0.294 0.000 1.087 530 V CA 0.476 62.946 62.300 0.282 0.000 1.117 530 V CB 0.098 32.071 31.823 0.250 0.000 0.820 530 V HN 0.741 nan 8.190 nan 0.000 0.490 531 H N -0.156 118.975 119.070 0.102 0.000 3.094 531 H HA 0.252 4.802 4.556 -0.009 0.000 0.335 531 H C -1.233 173.599 175.328 -0.826 0.000 1.254 531 H CA -0.557 55.218 56.048 -0.455 0.000 1.240 531 H CB 2.023 31.339 29.762 -0.744 0.000 1.936 531 H HN 0.399 nan 8.280 nan 0.000 0.536 532 E N 2.579 121.891 120.200 -1.480 0.000 2.344 532 E HA 0.227 4.572 4.350 -0.009 0.000 0.270 532 E C 0.274 176.659 176.600 -0.358 0.000 1.021 532 E CA -0.121 55.491 56.400 -1.312 0.000 0.887 532 E CB 0.777 29.738 29.700 -1.233 0.000 0.997 532 E HN 0.411 nan 8.360 nan 0.000 0.429 533 V N 1.924 121.773 119.914 -0.109 0.000 3.556 533 V HA 0.410 4.525 4.120 -0.009 0.000 0.287 533 V C -0.140 176.109 176.094 0.259 0.000 1.422 533 V CA -0.421 61.955 62.300 0.126 0.000 1.038 533 V CB -0.615 31.351 31.823 0.239 0.000 0.850 533 V HN 0.702 nan 8.190 nan 0.000 0.437 534 W N 1.677 122.969 121.300 -0.014 0.000 3.464 534 W HA 0.600 5.255 4.660 -0.009 0.000 0.292 534 W C -1.888 174.650 176.519 0.033 0.000 1.262 534 W CA -0.624 56.740 57.345 0.032 0.000 1.202 534 W CB 1.222 30.731 29.460 0.082 0.000 1.334 534 W HN 0.192 nan 8.180 nan 0.000 0.561 535 K N 3.470 123.304 120.400 -0.944 0.000 2.575 535 K HA 0.777 5.092 4.320 -0.009 0.000 0.279 535 K C -2.092 173.734 176.600 -1.289 0.000 0.969 535 K CA -0.839 54.877 56.287 -0.952 0.000 0.868 535 K CB 2.609 34.886 32.500 -0.373 0.000 1.457 535 K HN 0.376 nan 8.250 nan 0.000 0.426 536 D N -0.201 119.666 120.400 -0.888 0.000 2.742 536 D HA 0.381 5.016 4.640 -0.009 0.000 0.262 536 D C -1.939 174.205 176.300 -0.260 0.000 1.240 536 D CA -0.024 53.665 54.000 -0.519 0.000 0.752 536 D CB 2.068 42.588 40.800 -0.467 0.000 1.290 536 D HN 0.811 nan 8.370 nan 0.000 0.420 537 S N 0.238 115.864 115.700 -0.124 0.000 2.618 537 S HA 1.024 5.488 4.470 -0.009 0.000 0.277 537 S C -1.295 173.289 174.600 -0.026 0.000 1.138 537 S CA -0.275 57.875 58.200 -0.082 0.000 0.844 537 S CB 1.768 64.934 63.200 -0.056 0.000 1.127 537 S HN 1.169 nan 8.310 nan 0.000 0.474 538 A N 0.664 123.463 122.820 -0.034 0.000 2.608 538 A HA 0.826 5.141 4.320 -0.009 0.000 0.292 538 A C -0.909 176.688 177.584 0.022 0.000 1.066 538 A CA -0.771 51.284 52.037 0.031 0.000 0.676 538 A CB 1.403 20.456 19.000 0.089 0.000 1.277 538 A HN 0.934 nan 8.150 nan 0.000 0.413 539 T N 2.278 116.862 114.554 0.049 0.000 2.879 539 T HA 0.695 5.039 4.350 -0.009 0.000 0.290 539 T C -0.437 174.294 174.700 0.052 0.000 0.993 539 T CA -0.247 61.876 62.100 0.038 0.000 0.975 539 T CB 0.954 69.840 68.868 0.029 0.000 0.981 539 T HN 1.020 nan 8.240 nan 0.000 0.439 540 M N 0.604 120.232 119.600 0.047 0.000 2.484 540 M HA 0.744 5.218 4.480 -0.009 0.000 0.289 540 M C -0.872 175.450 176.300 0.037 0.000 1.206 540 M CA -0.914 54.416 55.300 0.050 0.000 0.892 540 M CB 2.343 34.984 32.600 0.070 0.000 1.712 540 M HN 0.422 nan 8.290 nan 0.000 0.462 541 S N 2.777 118.497 115.700 0.032 0.000 2.457 541 S HA 0.756 5.221 4.470 -0.009 0.000 0.289 541 S C -0.963 173.652 174.600 0.025 0.000 1.163 541 S CA -0.706 57.509 58.200 0.025 0.000 1.078 541 S CB 0.468 63.681 63.200 0.021 0.000 0.987 541 S HN 0.694 nan 8.310 nan 0.000 0.482 542 L N 4.107 125.344 121.223 0.022 0.000 2.341 542 L HA 0.554 4.889 4.340 -0.009 0.000 0.278 542 L C -0.312 176.567 176.870 0.016 0.000 1.005 542 L CA -1.078 53.774 54.840 0.021 0.000 0.818 542 L CB 1.802 43.874 42.059 0.022 0.000 1.259 542 L HN 0.540 nan 8.230 nan 0.000 0.418 543 D N 2.738 123.147 120.400 0.015 0.000 2.423 543 D HA 0.289 4.924 4.640 -0.009 0.000 0.255 543 D C -2.348 173.958 176.300 0.010 0.000 1.174 543 D CA -1.483 52.524 54.000 0.011 0.000 1.008 543 D CB 0.799 41.605 40.800 0.011 0.000 1.101 543 D HN 0.181 nan 8.370 nan 0.000 0.516 544 P HA 0.008 nan 4.420 nan 0.000 0.261 544 P C -0.017 177.287 177.300 0.007 0.000 1.183 544 P CA 0.806 63.910 63.100 0.007 0.000 0.761 544 P CB 0.389 32.092 31.700 0.005 0.000 0.785 545 E N -0.175 120.029 120.200 0.008 0.000 3.673 545 E HA -0.264 4.081 4.350 -0.009 0.000 0.309 545 E C 0.097 176.703 176.600 0.010 0.000 0.819 545 E CA 1.126 57.531 56.400 0.008 0.000 1.111 545 E CB -1.649 28.055 29.700 0.006 0.000 1.561 545 E HN 0.649 nan 8.360 nan 0.000 0.450 546 E N 0.709 120.916 120.200 0.012 0.000 2.338 546 E HA 0.185 4.530 4.350 -0.009 0.000 0.272 546 E C -0.541 176.069 176.600 0.018 0.000 1.029 546 E CA -0.076 56.333 56.400 0.015 0.000 0.872 546 E CB 0.560 30.270 29.700 0.016 0.000 1.015 546 E HN 0.149 nan 8.360 nan 0.000 0.417 547 E N 1.923 122.134 120.200 0.019 0.000 2.176 547 E HA 0.546 4.891 4.350 -0.009 0.000 0.267 547 E C -1.165 175.452 176.600 0.029 0.000 0.893 547 E CA -0.859 55.555 56.400 0.023 0.000 0.761 547 E CB 1.943 31.655 29.700 0.020 0.000 1.133 547 E HN 0.522 nan 8.360 nan 0.000 0.409 548 A N 3.236 126.079 122.820 0.038 0.000 2.350 548 A HA 0.623 4.938 4.320 -0.009 0.000 0.318 548 A C -0.755 176.865 177.584 0.060 0.000 1.132 548 A CA -0.685 51.381 52.037 0.048 0.000 0.811 548 A CB 1.262 20.297 19.000 0.057 0.000 1.313 548 A HN 0.630 nan 8.150 nan 0.000 0.454 549 E N 0.697 120.937 120.200 0.067 0.000 2.256 549 E HA 0.331 4.676 4.350 -0.009 0.000 0.268 549 E C -1.692 174.973 176.600 0.109 0.000 0.877 549 E CA -0.590 55.857 56.400 0.078 0.000 0.757 549 E CB 2.079 31.806 29.700 0.045 0.000 1.183 549 E HN 0.635 nan 8.360 nan 0.000 0.418 550 H N 3.683 122.783 119.070 0.050 0.000 2.708 550 H HA 0.333 4.884 4.556 -0.009 0.000 0.320 550 H C -2.707 172.663 175.328 0.070 0.000 0.991 550 H CA -2.168 53.922 56.048 0.069 0.000 1.243 550 H CB 1.460 31.276 29.762 0.089 0.000 1.446 550 H HN 0.212 nan 8.280 nan 0.000 0.502 551 P HA 0.159 nan 4.420 nan 0.000 0.271 551 P C -0.315 177.038 177.300 0.088 0.000 1.216 551 P CA 0.118 63.210 63.100 -0.014 0.000 0.771 551 P CB 0.926 32.584 31.700 -0.070 0.000 0.864 552 I N 3.186 123.767 120.570 0.018 0.000 2.439 552 I HA 0.351 4.516 4.170 -0.009 0.000 0.283 552 I C 0.189 176.143 176.117 -0.272 0.000 1.023 552 I CA -0.597 60.608 61.300 -0.159 0.000 1.100 552 I CB 1.568 39.403 38.000 -0.274 0.000 1.238 552 I HN 0.155 nan 8.210 nan 0.000 0.445 553 K N 7.964 128.189 120.400 -0.292 0.000 2.413 553 K HA 0.665 4.980 4.320 -0.009 0.000 0.257 553 K C -1.446 174.987 176.600 -0.278 0.000 0.946 553 K CA -0.501 55.670 56.287 -0.194 0.000 0.823 553 K CB 1.649 34.128 32.500 -0.034 0.000 1.109 553 K HN 0.568 nan 8.250 nan 0.000 0.427 554 I N 3.823 124.279 120.570 -0.189 0.000 2.410 554 I HA 0.140 4.305 4.170 -0.009 0.000 0.286 554 I C 0.241 176.446 176.117 0.146 0.000 1.009 554 I CA -0.817 60.456 61.300 -0.045 0.000 1.111 554 I CB 1.905 39.896 38.000 -0.014 0.000 1.262 554 I HN 0.645 nan 8.210 nan 0.000 0.443 555 S N 4.815 120.584 115.700 0.115 0.000 2.593 555 S HA 0.072 4.537 4.470 -0.009 0.000 0.269 555 S C 1.005 175.555 174.600 -0.083 0.000 1.334 555 S CA -0.227 58.019 58.200 0.076 0.000 1.015 555 S CB 0.882 64.106 63.200 0.040 0.000 0.912 555 S HN 0.645 nan 8.310 nan 0.000 0.541 556 Y N 2.306 122.423 120.300 -0.306 0.000 2.165 556 Y HA -0.098 4.447 4.550 -0.010 0.000 0.286 556 Y C 2.416 177.904 175.900 -0.687 0.000 1.155 556 Y CA 1.808 59.421 58.100 -0.813 0.000 1.164 556 Y CB -1.144 37.112 38.460 -0.341 0.000 0.978 556 Y HN 0.838 nan 8.280 nan 0.000 0.513 557 A N 0.233 122.793 122.820 -0.433 0.000 1.940 557 A HA -0.252 4.063 4.320 -0.009 0.000 0.219 557 A C 2.141 179.515 177.584 -0.349 0.000 1.176 557 A CA 1.966 53.759 52.037 -0.407 0.000 0.631 557 A CB -0.704 18.197 19.000 -0.165 0.000 0.814 557 A HN 0.691 nan 8.150 nan 0.000 0.446 558 Q N -1.679 117.990 119.800 -0.218 0.000 2.046 558 Q HA -0.179 4.155 4.340 -0.009 0.000 0.200 558 Q C 2.030 178.026 176.000 -0.007 0.000 0.975 558 Q CA 1.928 57.701 55.803 -0.049 0.000 0.836 558 Q CB -0.337 28.459 28.738 0.097 0.000 0.896 558 Q HN 1.033 nan 8.270 nan 0.000 0.428 559 Y N 0.398 120.689 120.300 -0.016 0.000 2.476 559 Y HA 0.109 4.654 4.550 -0.008 0.000 0.283 559 Y C 1.838 177.690 175.900 -0.079 0.000 1.109 559 Y CA 0.683 58.793 58.100 0.017 0.000 1.246 559 Y CB -0.599 37.902 38.460 0.068 0.000 1.068 559 Y HN 0.083 nan 8.280 nan 0.000 0.552 560 E N 1.704 121.618 120.200 -0.477 0.000 2.097 560 E HA -0.287 4.057 4.350 -0.009 0.000 0.196 560 E C 2.203 178.629 176.600 -0.291 0.000 1.000 560 E CA 1.904 58.066 56.400 -0.395 0.000 0.804 560 E CB -0.524 28.500 29.700 -1.128 0.000 0.740 560 E HN 0.503 nan 8.360 nan 0.000 0.454 561 R N -0.817 119.426 120.500 -0.428 0.000 2.127 561 R HA -0.148 4.187 4.340 -0.009 0.000 0.238 561 R C 0.859 176.714 176.300 -0.742 0.000 1.134 561 R CA 1.682 57.408 56.100 -0.624 0.000 0.975 561 R CB -0.132 29.670 30.300 -0.831 0.000 0.865 561 R HN 0.432 nan 8.270 nan 0.000 0.447 562 Y N -1.124 119.129 120.300 -0.079 0.000 2.557 562 Y HA 0.210 4.754 4.550 -0.010 0.000 0.247 562 Y C -0.242 175.697 175.900 0.065 0.000 1.164 562 Y CA -0.894 57.188 58.100 -0.030 0.000 1.218 562 Y CB 0.667 39.089 38.460 -0.064 0.000 1.210 562 Y HN -0.024 nan 8.280 nan 0.000 0.529 563 L N 2.058 123.391 121.223 0.183 0.000 2.367 563 L HA 0.290 4.625 4.340 -0.009 0.000 0.275 563 L C -0.204 176.763 176.870 0.161 0.000 1.129 563 L CA -0.130 54.834 54.840 0.205 0.000 0.839 563 L CB 0.313 42.531 42.059 0.265 0.000 1.133 563 L HN -0.102 nan 8.230 nan 0.000 0.453 564 K N 1.671 122.178 120.400 0.178 0.000 2.267 564 K HA 0.355 4.670 4.320 -0.009 0.000 0.236 564 K C 1.238 177.958 176.600 0.200 0.000 1.030 564 K CA 0.194 56.590 56.287 0.181 0.000 0.930 564 K CB 1.077 33.699 32.500 0.202 0.000 1.182 564 K HN 0.665 nan 8.250 nan 0.000 0.474 565 S N -0.647 115.187 115.700 0.223 0.000 2.493 565 S HA -0.150 4.315 4.470 -0.009 0.000 0.243 565 S C 0.791 175.514 174.600 0.206 0.000 0.991 565 S CA 1.598 59.922 58.200 0.207 0.000 0.957 565 S CB -0.357 62.963 63.200 0.200 0.000 0.756 565 S HN 0.506 nan 8.310 nan 0.000 0.521 566 D N 1.951 122.494 120.400 0.238 0.000 2.219 566 D HA 0.013 4.648 4.640 -0.009 0.000 0.205 566 D C 0.439 176.855 176.300 0.193 0.000 0.970 566 D CA 0.744 54.889 54.000 0.241 0.000 0.851 566 D CB -0.589 40.390 40.800 0.299 0.000 0.943 566 D HN 0.595 nan 8.370 nan 0.000 0.488 567 N N -0.742 118.064 118.700 0.178 0.000 2.725 567 N HA -0.159 4.576 4.740 -0.009 0.000 0.249 567 N C -0.826 174.751 175.510 0.111 0.000 1.103 567 N CA -0.029 53.105 53.050 0.140 0.000 0.707 567 N CB -0.557 38.011 38.487 0.136 0.000 1.043 567 N HN 0.227 nan 8.380 nan 0.000 0.553 568 M N 1.089 120.773 119.600 0.141 0.000 2.336 568 M HA 0.507 4.982 4.480 -0.009 0.000 0.342 568 M C -0.111 176.266 176.300 0.128 0.000 1.128 568 M CA -0.305 55.079 55.300 0.139 0.000 1.016 568 M CB 1.663 34.375 32.600 0.188 0.000 1.665 568 M HN 0.013 nan 8.290 nan 0.000 0.445 569 I N 1.898 122.532 120.570 0.107 0.000 2.533 569 I HA 0.429 4.594 4.170 -0.009 0.000 0.290 569 I C -0.318 175.893 176.117 0.158 0.000 1.056 569 I CA -0.850 60.528 61.300 0.130 0.000 1.057 569 I CB 2.497 40.533 38.000 0.061 0.000 1.240 569 I HN 0.637 nan 8.210 nan 0.000 0.423 570 R N 6.575 127.207 120.500 0.219 0.000 2.202 570 R HA 0.505 4.840 4.340 -0.009 0.000 0.334 570 R C -1.110 175.344 176.300 0.258 0.000 1.036 570 R CA -0.267 55.967 56.100 0.223 0.000 0.878 570 R CB 0.447 30.881 30.300 0.223 0.000 1.067 570 R HN 0.435 nan 8.270 nan 0.000 0.457 571 I N 4.270 124.963 120.570 0.206 0.000 2.336 571 I HA 0.356 4.521 4.170 -0.009 0.000 0.292 571 I C -0.237 176.001 176.117 0.200 0.000 0.991 571 I CA -0.423 61.006 61.300 0.215 0.000 1.227 571 I CB 1.486 39.567 38.000 0.136 0.000 1.366 571 I HN 0.634 nan 8.210 nan 0.000 0.466 572 T N 4.855 119.550 114.554 0.234 0.000 2.893 572 T HA 0.764 5.109 4.350 -0.009 0.000 0.293 572 T C -0.464 174.304 174.700 0.113 0.000 1.027 572 T CA -0.640 61.543 62.100 0.139 0.000 0.988 572 T CB 2.292 71.263 68.868 0.171 0.000 1.043 572 T HN 0.707 nan 8.240 nan 0.000 0.461 573 A N 2.357 125.189 122.820 0.019 0.000 2.375 573 A HA 0.693 5.008 4.320 -0.009 0.000 0.291 573 A C -0.738 176.820 177.584 -0.044 0.000 1.160 573 A CA -0.598 51.449 52.037 0.016 0.000 0.747 573 A CB 0.918 19.938 19.000 0.032 0.000 1.170 573 A HN 0.667 nan 8.150 nan 0.000 0.458 574 V N 2.494 122.389 119.914 -0.031 0.000 2.333 574 V HA 0.292 4.407 4.120 -0.009 0.000 0.274 574 V C -0.103 175.987 176.094 -0.007 0.000 1.028 574 V CA -0.392 61.886 62.300 -0.036 0.000 0.851 574 V CB 0.414 32.231 31.823 -0.010 0.000 1.000 574 V HN 0.969 nan 8.190 nan 0.000 0.456 575 C N 4.906 124.202 119.300 -0.006 0.000 2.391 575 C HA 0.826 5.280 4.460 -0.009 0.000 0.339 575 C C 0.045 175.047 174.990 0.020 0.000 1.205 575 C CA -1.080 57.941 59.018 0.005 0.000 1.937 575 C CB 1.054 28.794 27.740 0.001 0.000 2.341 575 C HN 0.937 nan 8.230 nan 0.000 0.516 576 K N 1.223 121.637 120.400 0.023 0.000 2.543 576 K HA 0.662 4.976 4.320 -0.009 0.000 0.255 576 K C -1.293 175.319 176.600 0.020 0.000 0.934 576 K CA -0.372 55.933 56.287 0.030 0.000 0.810 576 K CB 1.806 34.335 32.500 0.047 0.000 1.315 576 K HN 0.720 nan 8.250 nan 0.000 0.433 577 V N 0.520 120.444 119.914 0.016 0.000 2.715 577 V HA 0.658 4.773 4.120 -0.009 0.000 0.310 577 V C -2.646 173.451 176.094 0.005 0.000 1.054 577 V CA -2.665 59.642 62.300 0.010 0.000 0.928 577 V CB 1.099 32.928 31.823 0.009 0.000 1.007 577 V HN 0.660 nan 8.190 nan 0.000 0.437 578 P HA 0.101 nan 4.420 nan 0.000 0.264 578 P C 0.157 177.451 177.300 -0.010 0.000 1.179 578 P CA 1.067 64.164 63.100 -0.006 0.000 0.763 578 P CB 0.095 31.792 31.700 -0.005 0.000 0.806 579 D N 0.323 120.712 120.400 -0.019 0.000 3.012 579 D HA -0.195 4.440 4.640 -0.009 0.000 0.222 579 D C -0.684 175.605 176.300 -0.018 0.000 1.167 579 D CA 1.387 55.373 54.000 -0.022 0.000 0.854 579 D CB -1.053 39.736 40.800 -0.018 0.000 1.107 579 D HN 0.527 nan 8.370 nan 0.000 0.421 580 E N -0.734 119.458 120.200 -0.013 0.000 2.356 580 E HA 0.458 4.803 4.350 -0.009 0.000 0.275 580 E C -0.611 175.993 176.600 0.007 0.000 0.904 580 E CA -0.907 55.491 56.400 -0.004 0.000 0.757 580 E CB 1.637 31.338 29.700 0.002 0.000 1.232 580 E HN -0.006 nan 8.360 nan 0.000 0.442 581 S N 1.685 117.394 115.700 0.017 0.000 2.573 581 S HA 0.020 4.485 4.470 -0.009 0.000 0.277 581 S C -0.071 174.571 174.600 0.070 0.000 1.346 581 S CA -0.195 58.037 58.200 0.053 0.000 1.034 581 S CB 0.329 63.564 63.200 0.059 0.000 0.879 581 S HN 0.332 nan 8.310 nan 0.000 0.528 582 E N 0.700 120.976 120.200 0.127 0.000 2.418 582 E HA 0.203 4.547 4.350 -0.009 0.000 0.261 582 E C -0.756 175.873 176.600 0.047 0.000 1.070 582 E CA 0.077 56.538 56.400 0.100 0.000 0.931 582 E CB 0.378 30.170 29.700 0.153 0.000 0.954 582 E HN 0.236 nan 8.360 nan 0.000 0.439 583 V N 2.971 122.895 119.914 0.017 0.000 2.350 583 V HA 0.206 4.321 4.120 -0.009 0.000 0.285 583 V C -0.664 175.405 176.094 -0.042 0.000 1.014 583 V CA -0.807 61.487 62.300 -0.010 0.000 0.831 583 V CB 1.574 33.395 31.823 -0.004 0.000 1.000 583 V HN 0.382 nan 8.190 nan 0.000 0.433 584 V N 6.305 126.171 119.914 -0.081 0.000 2.364 584 V HA 0.368 4.483 4.120 -0.009 0.000 0.272 584 V C 0.018 176.032 176.094 -0.134 0.000 1.036 584 V CA -0.450 61.752 62.300 -0.163 0.000 0.880 584 V CB 1.594 33.251 31.823 -0.277 0.000 0.991 584 V HN 0.597 nan 8.190 nan 0.000 0.460 585 V N 5.415 125.262 119.914 -0.112 0.000 2.370 585 V HA 0.480 4.595 4.120 -0.009 0.000 0.283 585 V C -0.043 176.016 176.094 -0.059 0.000 1.023 585 V CA -0.568 61.698 62.300 -0.057 0.000 0.857 585 V CB 1.291 33.105 31.823 -0.015 0.000 0.985 585 V HN 0.945 nan 8.190 nan 0.000 0.443 586 E N 4.005 124.189 120.200 -0.028 0.000 2.256 586 E HA 0.834 5.179 4.350 -0.009 0.000 0.267 586 E C -0.658 175.978 176.600 0.060 0.000 0.892 586 E CA -1.028 55.383 56.400 0.017 0.000 0.775 586 E CB 2.981 32.700 29.700 0.032 0.000 1.207 586 E HN 0.576 nan 8.360 nan 0.000 0.420 587 R N 1.732 122.286 120.500 0.090 0.000 2.647 587 R HA 0.186 4.521 4.340 -0.009 0.000 0.260 587 R C -1.944 174.424 176.300 0.113 0.000 1.154 587 R CA -0.534 55.622 56.100 0.093 0.000 1.029 587 R CB 1.074 31.417 30.300 0.072 0.000 1.262 587 R HN 0.426 nan 8.270 nan 0.000 0.437 588 D N 4.941 125.413 120.400 0.122 0.000 2.232 588 D HA 0.379 5.014 4.640 -0.009 0.000 0.242 588 D C -0.098 176.271 176.300 0.115 0.000 1.093 588 D CA -0.118 53.963 54.000 0.134 0.000 0.845 588 D CB 1.347 42.243 40.800 0.160 0.000 1.124 588 D HN 0.469 nan 8.370 nan 0.000 0.467 589 I N -0.182 120.446 120.570 0.097 0.000 2.646 589 I HA 0.563 4.728 4.170 -0.009 0.000 0.299 589 I C -0.579 175.581 176.117 0.071 0.000 1.036 589 I CA -1.099 60.242 61.300 0.069 0.000 1.074 589 I CB 2.182 40.202 38.000 0.032 0.000 1.258 589 I HN 0.146 nan 8.210 nan 0.000 0.430 590 I N 3.509 124.119 120.570 0.067 0.000 2.433 590 I HA 0.539 4.704 4.170 -0.009 0.000 0.292 590 I C -1.517 174.623 176.117 0.039 0.000 1.001 590 I CA -0.894 60.449 61.300 0.072 0.000 1.119 590 I CB 1.736 39.796 38.000 0.101 0.000 1.289 590 I HN 0.519 nan 8.210 nan 0.000 0.438 591 L N 5.746 126.986 121.223 0.029 0.000 2.276 591 L HA 0.402 4.737 4.340 -0.009 0.000 0.286 591 L C 0.312 177.222 176.870 0.066 0.000 1.061 591 L CA 0.123 54.978 54.840 0.025 0.000 0.807 591 L CB 0.423 42.472 42.059 -0.017 0.000 1.177 591 L HN 0.487 nan 8.230 nan 0.000 0.429 592 D N 2.076 122.511 120.400 0.058 0.000 2.372 592 D HA 0.081 4.716 4.640 -0.009 0.000 0.243 592 D C 0.109 176.464 176.300 0.092 0.000 1.121 592 D CA 0.010 54.045 54.000 0.059 0.000 0.898 592 D CB 0.650 41.469 40.800 0.032 0.000 1.202 592 D HN 0.369 nan 8.370 nan 0.000 0.428 593 N N 1.472 120.224 118.700 0.087 0.000 2.483 593 N HA 0.241 4.976 4.740 -0.009 0.000 0.269 593 N C -2.190 173.334 175.510 0.023 0.000 1.209 593 N CA -0.946 52.166 53.050 0.102 0.000 0.969 593 N CB 0.557 39.102 38.487 0.095 0.000 1.173 593 N HN 0.190 nan 8.380 nan 0.000 0.475 594 P HA 0.028 nan 4.420 nan 0.000 0.270 594 P C -0.465 176.835 177.300 -0.001 0.000 1.223 594 P CA 0.016 63.055 63.100 -0.102 0.000 0.785 594 P CB 0.208 31.731 31.700 -0.296 0.000 0.923 595 T N 2.032 116.562 114.554 -0.040 0.000 2.916 595 T HA 0.219 4.564 4.350 -0.009 0.000 0.303 595 T C 0.184 174.932 174.700 0.079 0.000 1.025 595 T CA 0.193 62.290 62.100 -0.005 0.000 1.142 595 T CB -0.065 68.773 68.868 -0.050 0.000 0.947 595 T HN 0.254 nan 8.240 nan 0.000 0.544 596 L N 4.040 125.304 121.223 0.069 0.000 2.333 596 L HA 0.610 4.945 4.340 -0.009 0.000 0.280 596 L C -0.332 176.547 176.870 0.016 0.000 1.004 596 L CA 0.005 54.884 54.840 0.065 0.000 0.820 596 L CB 1.718 43.782 42.059 0.009 0.000 1.247 596 L HN 0.669 nan 8.230 nan 0.000 0.416 597 T N 5.379 119.936 114.554 0.005 0.000 2.893 597 T HA 0.667 5.011 4.350 -0.009 0.000 0.291 597 T C -0.674 174.032 174.700 0.010 0.000 1.028 597 T CA -0.535 61.563 62.100 -0.003 0.000 0.995 597 T CB 1.566 70.422 68.868 -0.021 0.000 1.051 597 T HN 0.460 nan 8.240 nan 0.000 0.470 598 L N 2.101 123.331 121.223 0.013 0.000 2.365 598 L HA 0.621 4.955 4.340 -0.009 0.000 0.273 598 L C -0.264 176.597 176.870 -0.015 0.000 1.000 598 L CA -0.752 54.103 54.840 0.024 0.000 0.819 598 L CB 1.925 44.019 42.059 0.058 0.000 1.284 598 L HN 0.649 nan 8.230 nan 0.000 0.418 599 E N 2.339 122.510 120.200 -0.048 0.000 2.275 599 E HA 0.409 4.754 4.350 -0.009 0.000 0.270 599 E C -1.399 175.141 176.600 -0.100 0.000 0.882 599 E CA -0.756 55.605 56.400 -0.064 0.000 0.758 599 E CB 3.144 32.808 29.700 -0.060 0.000 1.195 599 E HN 0.155 nan 8.360 nan 0.000 0.419 600 V N 4.059 123.925 119.914 -0.080 0.000 2.498 600 V HA 0.136 4.250 4.120 -0.009 0.000 0.279 600 V C 0.690 176.736 176.094 -0.081 0.000 1.048 600 V CA -0.226 62.019 62.300 -0.092 0.000 0.967 600 V CB 0.847 32.633 31.823 -0.062 0.000 0.988 600 V HN 0.675 nan 8.190 nan 0.000 0.473 601 L N 5.365 126.532 121.223 -0.092 0.000 2.791 601 L HA 0.388 4.722 4.340 -0.009 0.000 0.239 601 L C 0.506 177.343 176.870 -0.055 0.000 1.203 601 L CA 0.044 54.841 54.840 -0.072 0.000 1.002 601 L CB -0.822 41.189 42.059 -0.081 0.000 1.295 601 L HN 0.984 nan 8.230 nan 0.000 0.504 602 N N -2.558 116.112 118.700 -0.050 0.000 3.533 602 N HA 0.077 4.812 4.740 -0.009 0.000 0.229 602 N C -1.171 174.320 175.510 -0.031 0.000 1.418 602 N CA -0.967 52.061 53.050 -0.037 0.000 0.880 602 N CB 1.020 39.486 38.487 -0.035 0.000 1.415 602 N HN -0.005 nan 8.380 nan 0.000 0.491 603 E N 0.182 120.368 120.200 -0.023 0.000 2.376 603 E HA 0.319 4.664 4.350 -0.009 0.000 0.266 603 E C -0.632 175.958 176.600 -0.016 0.000 1.009 603 E CA -0.442 55.947 56.400 -0.018 0.000 0.902 603 E CB 0.630 30.321 29.700 -0.014 0.000 0.972 603 E HN 0.566 nan 8.360 nan 0.000 0.439 604 A N 5.793 128.604 122.820 -0.014 0.000 2.289 604 A HA 0.425 4.740 4.320 -0.009 0.000 0.298 604 A C -0.436 177.145 177.584 -0.005 0.000 1.208 604 A CA -0.383 51.648 52.037 -0.010 0.000 0.845 604 A CB 0.506 19.501 19.000 -0.008 0.000 1.125 604 A HN 0.694 nan 8.150 nan 0.000 0.517 605 R N 1.299 121.797 120.500 -0.003 0.000 2.725 605 R HA 0.505 4.840 4.340 -0.009 0.000 0.277 605 R C -0.541 175.761 176.300 0.004 0.000 0.987 605 R CA -0.947 55.153 56.100 0.000 0.000 0.901 605 R CB 2.016 32.316 30.300 -0.001 0.000 1.207 605 R HN 0.697 nan 8.270 nan 0.000 0.463 606 V N 0.407 120.324 119.914 0.005 0.000 2.788 606 V HA 0.045 4.160 4.120 -0.009 0.000 0.307 606 V C 0.769 176.868 176.094 0.008 0.000 1.069 606 V CA -0.140 62.164 62.300 0.007 0.000 1.173 606 V CB 0.204 32.030 31.823 0.006 0.000 0.925 606 V HN 0.875 nan 8.190 nan 0.000 0.492 607 R N -0.149 120.357 120.500 0.011 0.000 3.953 607 R HA -0.139 4.196 4.340 -0.009 0.000 0.340 607 R C -0.255 176.051 176.300 0.011 0.000 1.195 607 R CA 1.348 57.455 56.100 0.012 0.000 0.929 607 R CB -1.054 29.253 30.300 0.012 0.000 1.402 607 R HN 0.837 nan 8.270 nan 0.000 0.540 608 K N 0.313 120.718 120.400 0.009 0.000 2.345 608 K HA 0.389 4.704 4.320 -0.009 0.000 0.255 608 K C -2.586 174.018 176.600 0.005 0.000 0.934 608 K CA -2.465 53.825 56.287 0.006 0.000 0.801 608 K CB 1.770 34.272 32.500 0.002 0.000 1.137 608 K HN -0.248 nan 8.250 nan 0.000 0.424 609 P HA 0.013 nan 4.420 nan 0.000 0.264 609 P C -0.671 176.624 177.300 -0.008 0.000 1.183 609 P CA -0.115 62.986 63.100 0.003 0.000 0.763 609 P CB 0.483 32.185 31.700 0.003 0.000 0.807 610 V N 4.285 124.191 119.914 -0.013 0.000 2.444 610 V HA 0.248 4.362 4.120 -0.009 0.000 0.294 610 V C -0.119 175.932 176.094 -0.071 0.000 1.022 610 V CA -0.719 61.560 62.300 -0.035 0.000 0.850 610 V CB 1.532 33.338 31.823 -0.028 0.000 0.992 610 V HN 0.441 nan 8.190 nan 0.000 0.426 611 N N 3.567 122.213 118.700 -0.090 0.000 2.458 611 N HA 0.537 5.272 4.740 -0.009 0.000 0.270 611 N C -0.537 174.837 175.510 -0.227 0.000 1.102 611 N CA -0.260 52.706 53.050 -0.140 0.000 0.967 611 N CB 1.560 39.986 38.487 -0.101 0.000 1.078 611 N HN 0.443 nan 8.380 nan 0.000 0.471 612 V N 1.083 120.743 119.914 -0.423 0.000 3.113 612 V HA 0.559 4.674 4.120 -0.009 0.000 0.316 612 V C -0.328 175.367 176.094 -0.664 0.000 1.125 612 V CA -0.852 61.082 62.300 -0.609 0.000 1.026 612 V CB 1.985 33.232 31.823 -0.959 0.000 1.080 612 V HN 0.678 nan 8.190 nan 0.000 0.444 613 Q N 1.990 121.515 119.800 -0.458 0.000 2.268 613 Q HA 0.538 4.873 4.340 -0.009 0.000 0.266 613 Q C -1.559 174.410 176.000 -0.051 0.000 1.006 613 Q CA -0.497 55.171 55.803 -0.224 0.000 0.824 613 Q CB 2.175 30.831 28.738 -0.137 0.000 1.306 613 Q HN 0.833 nan 8.270 nan 0.000 0.424 614 M N 5.783 125.437 119.600 0.090 0.000 2.300 614 M HA 0.505 4.979 4.480 -0.009 0.000 0.348 614 M C -1.968 174.353 176.300 0.034 0.000 1.151 614 M CA -0.556 54.816 55.300 0.120 0.000 1.046 614 M CB 0.763 33.487 32.600 0.207 0.000 1.647 614 M HN 0.740 nan 8.290 nan 0.000 0.451 615 L N 5.424 126.646 121.223 -0.001 0.000 2.381 615 L HA 0.691 5.026 4.340 -0.009 0.000 0.268 615 L C -1.452 175.407 176.870 -0.019 0.000 0.997 615 L CA -0.721 54.103 54.840 -0.027 0.000 0.818 615 L CB 2.298 44.331 42.059 -0.042 0.000 1.310 615 L HN 0.750 nan 8.230 nan 0.000 0.416 616 F N 1.073 120.874 119.950 -0.248 0.000 2.622 616 F HA 0.493 5.016 4.527 -0.008 0.000 0.318 616 F C -1.054 174.605 175.800 -0.235 0.000 1.135 616 F CA -0.300 57.501 58.000 -0.331 0.000 1.015 616 F CB 2.047 40.657 39.000 -0.651 0.000 1.275 616 F HN 0.317 nan 8.300 nan 0.000 0.457 617 S N 3.945 118.961 115.700 -1.140 0.000 2.472 617 S HA 0.348 4.813 4.470 -0.009 0.000 0.303 617 S C -0.997 172.912 174.600 -1.152 0.000 1.099 617 S CA -0.715 56.995 58.200 -0.817 0.000 1.077 617 S CB 1.336 64.254 63.200 -0.471 0.000 1.031 617 S HN 0.606 nan 8.310 nan 0.000 0.487 618 N N 3.695 122.067 118.700 -0.546 0.000 2.406 618 N HA 0.274 5.009 4.740 -0.009 0.000 0.251 618 N C -1.521 173.908 175.510 -0.135 0.000 1.069 618 N CA -2.138 50.777 53.050 -0.224 0.000 0.947 618 N CB 1.046 39.589 38.487 0.093 0.000 1.111 618 N HN 0.240 nan 8.380 nan 0.000 0.497 619 P HA -0.019 nan 4.420 nan 0.000 0.236 619 P C 0.193 177.485 177.300 -0.013 0.000 1.177 619 P CA 0.481 63.540 63.100 -0.068 0.000 0.773 619 P CB 0.521 32.177 31.700 -0.074 0.000 0.878 620 L N 0.390 121.651 121.223 0.063 0.000 2.466 620 L HA 0.175 4.510 4.340 -0.009 0.000 0.257 620 L C 1.438 178.315 176.870 0.012 0.000 1.189 620 L CA -0.195 54.652 54.840 0.012 0.000 0.813 620 L CB 0.100 42.201 42.059 0.069 0.000 1.118 620 L HN -0.251 nan 8.230 nan 0.000 0.471 621 D N -0.197 120.205 120.400 0.004 0.000 2.339 621 D HA 0.013 4.648 4.640 -0.009 0.000 0.217 621 D C 0.319 176.639 176.300 0.032 0.000 1.050 621 D CA 0.379 54.389 54.000 0.016 0.000 0.856 621 D CB 0.390 41.199 40.800 0.015 0.000 0.922 621 D HN 0.621 nan 8.370 nan 0.000 0.518 622 E N 0.685 120.915 120.200 0.049 0.000 2.320 622 E HA 0.509 4.854 4.350 -0.009 0.000 0.264 622 E C -2.903 173.741 176.600 0.074 0.000 0.923 622 E CA -2.116 54.316 56.400 0.053 0.000 0.796 622 E CB 2.437 32.169 29.700 0.054 0.000 1.262 622 E HN -0.231 nan 8.360 nan 0.000 0.428 623 P HA 0.103 nan 4.420 nan 0.000 0.278 623 P C -0.312 177.057 177.300 0.116 0.000 1.258 623 P CA -0.543 62.614 63.100 0.095 0.000 0.811 623 P CB 1.246 32.989 31.700 0.071 0.000 1.063 624 V N -0.521 119.495 119.914 0.169 0.000 2.513 624 V HA 0.675 4.789 4.120 -0.009 0.000 0.299 624 V C 0.107 176.281 176.094 0.134 0.000 1.035 624 V CA -0.797 61.614 62.300 0.184 0.000 0.889 624 V CB 1.485 33.521 31.823 0.355 0.000 0.988 624 V HN 0.503 nan 8.190 nan 0.000 0.440 625 R N 1.265 121.807 120.500 0.071 0.000 3.029 625 R HA 0.575 4.909 4.340 -0.009 0.000 0.239 625 R C -0.737 175.556 176.300 -0.013 0.000 1.351 625 R CA -0.735 55.386 56.100 0.035 0.000 1.052 625 R CB 0.593 30.903 30.300 0.018 0.000 1.354 625 R HN 0.787 nan 8.270 nan 0.000 0.499 626 D N 0.050 120.433 120.400 -0.029 0.000 2.708 626 D HA -0.155 4.480 4.640 -0.009 0.000 0.236 626 D C -0.735 175.484 176.300 -0.135 0.000 1.146 626 D CA 0.644 54.603 54.000 -0.068 0.000 0.662 626 D CB -1.513 39.246 40.800 -0.068 0.000 1.059 626 D HN 0.383 nan 8.370 nan 0.000 0.428 627 C N 0.683 119.904 119.300 -0.131 0.000 2.576 627 C HA 0.448 4.903 4.460 -0.009 0.000 0.401 627 C C 0.987 175.812 174.990 -0.275 0.000 1.314 627 C CA -0.692 58.154 59.018 -0.287 0.000 1.855 627 C CB 0.584 28.280 27.740 -0.073 0.000 2.537 627 C HN 0.163 nan 8.230 nan 0.000 0.578 628 V N 5.212 124.859 119.914 -0.445 0.000 2.577 628 V HA 0.474 4.589 4.120 -0.009 0.000 0.303 628 V C -0.432 175.492 176.094 -0.283 0.000 1.042 628 V CA -0.476 61.657 62.300 -0.277 0.000 0.872 628 V CB 1.654 33.342 31.823 -0.225 0.000 0.998 628 V HN 0.685 nan 8.190 nan 0.000 0.423 629 L N 5.877 127.037 121.223 -0.104 0.000 2.307 629 L HA 0.765 5.100 4.340 -0.009 0.000 0.284 629 L C -0.537 176.268 176.870 -0.109 0.000 1.023 629 L CA 0.001 54.828 54.840 -0.021 0.000 0.810 629 L CB 1.454 43.557 42.059 0.072 0.000 1.231 629 L HN 0.684 nan 8.230 nan 0.000 0.423 630 M N 5.669 125.200 119.600 -0.115 0.000 2.259 630 M HA 0.576 5.051 4.480 -0.009 0.000 0.304 630 M C -1.418 174.792 176.300 -0.149 0.000 1.019 630 M CA -0.690 54.524 55.300 -0.143 0.000 0.922 630 M CB 2.140 34.658 32.600 -0.136 0.000 1.600 630 M HN 0.335 nan 8.290 nan 0.000 0.433 631 V N 2.597 122.393 119.914 -0.196 0.000 2.789 631 V HA 0.687 4.802 4.120 -0.009 0.000 0.311 631 V C -0.610 175.403 176.094 -0.135 0.000 1.073 631 V CA -0.544 61.643 62.300 -0.188 0.000 0.921 631 V CB 2.287 33.891 31.823 -0.364 0.000 1.009 631 V HN 0.967 nan 8.190 nan 0.000 0.426 632 E N 2.297 122.442 120.200 -0.090 0.000 2.437 632 E HA 0.807 5.152 4.350 -0.009 0.000 0.280 632 E C -0.667 175.902 176.600 -0.052 0.000 1.044 632 E CA -0.943 55.414 56.400 -0.070 0.000 0.826 632 E CB 2.399 32.044 29.700 -0.091 0.000 1.358 632 E HN 1.131 nan 8.360 nan 0.000 0.459 633 G N 0.702 109.480 108.800 -0.038 0.000 1.843 633 G HA2 0.262 4.217 3.960 -0.009 0.000 0.278 633 G HA3 0.262 4.217 3.960 -0.009 0.000 0.278 633 G C -0.934 173.969 174.900 0.004 0.000 1.708 633 G CA -0.633 44.452 45.100 -0.024 0.000 0.918 633 G HN 0.389 nan 8.290 nan 0.000 0.661 634 S N 0.249 115.957 115.700 0.013 0.000 2.546 634 S HA 0.420 4.885 4.470 -0.009 0.000 0.290 634 S C 1.683 176.318 174.600 0.059 0.000 1.290 634 S CA 1.756 59.989 58.200 0.054 0.000 1.069 634 S CB 1.007 64.265 63.200 0.096 0.000 0.846 634 S HN 2.376 nan 8.310 nan 0.000 0.495 635 G N 2.160 110.995 108.800 0.059 0.000 2.205 635 G HA2 -0.237 3.718 3.960 -0.009 0.000 0.261 635 G HA3 -0.237 3.718 3.960 -0.009 0.000 0.261 635 G C 0.543 175.465 174.900 0.037 0.000 0.980 635 G CA 0.473 45.601 45.100 0.046 0.000 0.632 635 G HN 0.593 nan 8.290 nan 0.000 0.533 636 L N -0.436 120.810 121.223 0.038 0.000 2.445 636 L HA 0.556 4.891 4.340 -0.009 0.000 0.207 636 L C 1.164 178.063 176.870 0.048 0.000 1.053 636 L CA 1.018 55.883 54.840 0.041 0.000 0.841 636 L CB 0.193 42.278 42.059 0.044 0.000 1.074 636 L HN 0.472 nan 8.230 nan 0.000 0.479 637 L N -2.835 118.413 121.223 0.043 0.000 2.582 637 L HA 0.484 4.819 4.340 -0.009 0.000 0.257 637 L C -1.283 175.605 176.870 0.030 0.000 0.974 637 L CA -0.904 53.961 54.840 0.041 0.000 0.851 637 L CB 1.947 44.035 42.059 0.048 0.000 1.424 637 L HN -0.198 nan 8.230 nan 0.000 0.412 638 L N 2.945 124.185 121.223 0.029 0.000 2.313 638 L HA 0.651 4.985 4.340 -0.009 0.000 0.282 638 L C 1.167 178.046 176.870 0.015 0.000 1.092 638 L CA 0.787 55.643 54.840 0.027 0.000 0.831 638 L CB 0.403 42.479 42.059 0.030 0.000 1.159 638 L HN 1.106 nan 8.230 nan 0.000 0.442 639 G N 3.918 112.725 108.800 0.012 0.000 2.562 639 G HA2 -0.339 3.616 3.960 -0.009 0.000 0.250 639 G HA3 -0.339 3.616 3.960 -0.009 0.000 0.250 639 G C -0.484 174.404 174.900 -0.020 0.000 1.269 639 G CA 0.015 45.115 45.100 0.000 0.000 0.919 639 G HN 0.810 nan 8.290 nan 0.000 0.574 640 N N -0.376 118.307 118.700 -0.027 0.000 2.417 640 N HA 0.557 5.292 4.740 -0.009 0.000 0.274 640 N C -0.242 175.227 175.510 -0.068 0.000 0.987 640 N CA -0.691 52.328 53.050 -0.051 0.000 0.912 640 N CB 1.184 39.647 38.487 -0.040 0.000 1.177 640 N HN 0.728 nan 8.380 nan 0.000 0.490 641 L N 3.381 124.540 121.223 -0.106 0.000 2.281 641 L HA 0.366 4.701 4.340 -0.009 0.000 0.285 641 L C -0.343 176.433 176.870 -0.157 0.000 1.074 641 L CA -0.469 54.289 54.840 -0.137 0.000 0.817 641 L CB 0.437 42.370 42.059 -0.211 0.000 1.168 641 L HN 0.636 nan 8.230 nan 0.000 0.434 642 K N 6.541 126.870 120.400 -0.119 0.000 2.307 642 K HA 0.565 4.880 4.320 -0.009 0.000 0.263 642 K C -1.396 175.144 176.600 -0.099 0.000 0.973 642 K CA -0.556 55.663 56.287 -0.113 0.000 0.846 642 K CB 1.285 33.731 32.500 -0.089 0.000 1.100 642 K HN 0.607 nan 8.250 nan 0.000 0.438 643 I N 3.485 123.995 120.570 -0.100 0.000 2.447 643 I HA 0.176 4.341 4.170 -0.009 0.000 0.287 643 I C -0.735 175.360 176.117 -0.036 0.000 1.023 643 I CA -1.016 60.248 61.300 -0.060 0.000 1.083 643 I CB 1.948 39.913 38.000 -0.058 0.000 1.245 643 I HN 0.546 nan 8.210 nan 0.000 0.434 644 D N 6.008 126.394 120.400 -0.024 0.000 2.312 644 D HA 0.264 4.899 4.640 -0.009 0.000 0.252 644 D C -0.359 175.954 176.300 0.021 0.000 1.150 644 D CA 0.077 54.066 54.000 -0.019 0.000 0.870 644 D CB 2.140 42.928 40.800 -0.020 0.000 1.153 644 D HN 0.030 nan 8.370 nan 0.000 0.457 645 V N 4.694 124.632 119.914 0.040 0.000 2.435 645 V HA 0.294 4.409 4.120 -0.009 0.000 0.290 645 V C -1.987 174.161 176.094 0.089 0.000 1.030 645 V CA -1.685 60.678 62.300 0.105 0.000 0.881 645 V CB 1.787 33.753 31.823 0.238 0.000 0.983 645 V HN 0.399 nan 8.190 nan 0.000 0.445 646 P HA 0.134 nan 4.420 nan 0.000 0.269 646 P C 0.013 177.371 177.300 0.096 0.000 1.215 646 P CA -0.119 63.024 63.100 0.073 0.000 0.780 646 P CB 0.173 31.911 31.700 0.063 0.000 0.898 647 T N 2.132 116.732 114.554 0.077 0.000 2.933 647 T HA 0.024 4.369 4.350 -0.009 0.000 0.306 647 T C 0.112 174.879 174.700 0.112 0.000 1.045 647 T CA 0.488 62.642 62.100 0.090 0.000 1.143 647 T CB -0.184 68.722 68.868 0.063 0.000 1.003 647 T HN 0.170 nan 8.240 nan 0.000 0.540 648 L N 4.464 125.780 121.223 0.154 0.000 2.276 648 L HA 0.589 4.924 4.340 -0.009 0.000 0.286 648 L C 0.739 177.685 176.870 0.127 0.000 1.024 648 L CA -0.107 54.827 54.840 0.156 0.000 0.826 648 L CB 0.529 42.734 42.059 0.243 0.000 1.211 648 L HN 0.742 nan 8.230 nan 0.000 0.422 649 G N 5.009 113.859 108.800 0.082 0.000 2.750 649 G HA2 0.252 4.207 3.960 -0.009 0.000 0.250 649 G HA3 0.252 4.207 3.960 -0.009 0.000 0.250 649 G C -2.588 172.347 174.900 0.060 0.000 1.230 649 G CA -0.924 44.214 45.100 0.062 0.000 0.883 649 G HN 0.551 nan 8.290 nan 0.000 0.573 650 P HA 0.120 nan 4.420 nan 0.000 0.267 650 P C -0.007 177.296 177.300 0.006 0.000 1.205 650 P CA 0.092 63.213 63.100 0.034 0.000 0.765 650 P CB 0.648 32.363 31.700 0.026 0.000 0.828 651 K N -0.737 119.653 120.400 -0.016 0.000 3.349 651 K HA -0.183 4.132 4.320 -0.009 0.000 0.310 651 K C 0.131 176.696 176.600 -0.059 0.000 1.267 651 K CA 1.158 57.415 56.287 -0.050 0.000 0.920 651 K CB -1.582 30.895 32.500 -0.038 0.000 1.240 651 K HN 0.538 nan 8.250 nan 0.000 0.453 652 E N 0.836 121.012 120.200 -0.040 0.000 2.280 652 E HA 0.344 4.688 4.350 -0.009 0.000 0.264 652 E C 0.112 176.670 176.600 -0.070 0.000 1.064 652 E CA -0.538 55.841 56.400 -0.035 0.000 0.900 652 E CB 1.206 30.909 29.700 0.005 0.000 1.123 652 E HN 0.143 nan 8.360 nan 0.000 0.418 653 R N 0.166 120.630 120.500 -0.059 0.000 2.562 653 R HA 0.333 4.667 4.340 -0.009 0.000 0.298 653 R C -0.747 175.540 176.300 -0.022 0.000 0.961 653 R CA -0.359 55.692 56.100 -0.081 0.000 0.881 653 R CB 1.499 31.742 30.300 -0.094 0.000 1.159 653 R HN 0.406 nan 8.270 nan 0.000 0.450 654 S N 2.873 118.571 115.700 -0.004 0.000 2.437 654 S HA 0.389 4.853 4.470 -0.009 0.000 0.305 654 S C -0.764 173.843 174.600 0.012 0.000 1.109 654 S CA -0.743 57.480 58.200 0.038 0.000 1.099 654 S CB 0.723 63.977 63.200 0.090 0.000 1.004 654 S HN 0.644 nan 8.310 nan 0.000 0.475 655 R N 4.522 125.035 120.500 0.022 0.000 2.422 655 R HA 0.544 4.878 4.340 -0.009 0.000 0.307 655 R C -1.803 174.524 176.300 0.046 0.000 1.004 655 R CA -0.444 55.666 56.100 0.018 0.000 0.882 655 R CB 0.993 31.293 30.300 0.000 0.000 1.164 655 R HN 0.526 nan 8.270 nan 0.000 0.489 656 V N 5.293 125.253 119.914 0.077 0.000 2.370 656 V HA 0.465 4.580 4.120 -0.009 0.000 0.279 656 V C 0.277 176.467 176.094 0.160 0.000 1.029 656 V CA -0.738 61.640 62.300 0.130 0.000 0.870 656 V CB 1.452 33.380 31.823 0.174 0.000 0.984 656 V HN 0.626 nan 8.190 nan 0.000 0.451 657 R N 4.389 124.964 120.500 0.125 0.000 2.428 657 R HA 0.704 5.039 4.340 -0.009 0.000 0.294 657 R C -0.975 175.439 176.300 0.190 0.000 1.000 657 R CA -0.244 55.894 56.100 0.063 0.000 0.960 657 R CB 1.800 32.109 30.300 0.016 0.000 1.076 657 R HN 0.740 nan 8.270 nan 0.000 0.475 658 F N -1.136 118.816 119.950 0.003 0.000 2.688 658 F HA 0.413 4.934 4.527 -0.009 0.000 0.308 658 F C -1.478 174.322 175.800 0.001 0.000 1.117 658 F CA -1.312 56.690 58.000 0.004 0.000 0.976 658 F CB 1.279 40.282 39.000 0.006 0.000 1.291 658 F HN 0.202 nan 8.300 nan 0.000 0.439 659 D N 3.145 123.639 120.400 0.157 0.000 2.228 659 D HA 0.704 5.339 4.640 -0.009 0.000 0.247 659 D C -0.141 176.258 176.300 0.166 0.000 0.995 659 D CA -0.133 53.901 54.000 0.057 0.000 0.903 659 D CB 2.337 43.158 40.800 0.035 0.000 1.205 659 D HN 0.824 nan 8.370 nan 0.000 0.459 660 I N -2.289 118.337 120.570 0.093 0.000 3.206 660 I HA 0.680 4.845 4.170 -0.009 0.000 0.313 660 I C -1.378 174.773 176.117 0.056 0.000 1.103 660 I CA -1.199 60.167 61.300 0.110 0.000 0.985 660 I CB 2.110 40.187 38.000 0.128 0.000 1.240 660 I HN 0.083 nan 8.210 nan 0.000 0.464 661 L N 3.527 124.781 121.223 0.051 0.000 2.529 661 L HA 0.627 4.962 4.340 -0.009 0.000 0.258 661 L C -2.684 174.205 176.870 0.032 0.000 1.032 661 L CA -1.557 53.303 54.840 0.034 0.000 0.899 661 L CB 0.981 43.060 42.059 0.033 0.000 1.174 661 L HN 0.393 nan 8.230 nan 0.000 0.458 662 P HA 0.157 nan 4.420 nan 0.000 0.265 662 P C 0.019 177.332 177.300 0.021 0.000 1.187 662 P CA 0.363 63.477 63.100 0.023 0.000 0.766 662 P CB 0.751 32.461 31.700 0.017 0.000 0.820 663 S N 1.827 117.540 115.700 0.022 0.000 2.604 663 S HA 0.216 4.681 4.470 -0.009 0.000 0.235 663 S C 0.521 175.128 174.600 0.012 0.000 1.043 663 S CA -0.280 57.931 58.200 0.019 0.000 0.997 663 S CB 0.430 63.646 63.200 0.026 0.000 0.956 663 S HN 0.371 nan 8.310 nan 0.000 0.535 664 R N 2.131 122.637 120.500 0.010 0.000 2.533 664 R HA 0.461 4.796 4.340 -0.009 0.000 0.288 664 R C -0.738 175.564 176.300 0.003 0.000 1.039 664 R CA -0.068 56.032 56.100 -0.001 0.000 0.909 664 R CB 1.978 32.272 30.300 -0.010 0.000 1.195 664 R HN 0.398 nan 8.270 nan 0.000 0.438 665 S N 1.806 117.506 115.700 -0.001 0.000 2.608 665 S HA 0.804 5.269 4.470 -0.009 0.000 0.261 665 S C 0.539 175.142 174.600 0.004 0.000 1.314 665 S CA 0.353 58.555 58.200 0.003 0.000 0.992 665 S CB 1.505 64.706 63.200 0.002 0.000 0.935 665 S HN 1.057 nan 8.310 nan 0.000 0.564 666 G N -0.159 108.645 108.800 0.007 0.000 2.384 666 G HA2 0.078 4.033 3.960 -0.009 0.000 0.668 666 G HA3 0.078 4.033 3.960 -0.009 0.000 0.668 666 G C -0.610 174.298 174.900 0.013 0.000 1.280 666 G CA -0.543 44.563 45.100 0.010 0.000 0.992 666 G HN 0.995 nan 8.290 nan 0.000 0.512 667 T N 2.834 117.397 114.554 0.015 0.000 2.738 667 T HA 0.480 4.825 4.350 -0.009 0.000 0.294 667 T C 0.406 175.118 174.700 0.021 0.000 0.914 667 T CA -0.027 62.082 62.100 0.015 0.000 1.052 667 T CB 0.394 69.271 68.868 0.014 0.000 0.897 667 T HN 0.527 nan 8.240 nan 0.000 0.522 668 K N 2.720 123.131 120.400 0.019 0.000 2.211 668 K HA 0.450 4.765 4.320 -0.009 0.000 0.237 668 K C -0.146 176.463 176.600 0.015 0.000 1.002 668 K CA -0.861 55.440 56.287 0.023 0.000 0.885 668 K CB 1.420 33.934 32.500 0.023 0.000 1.136 668 K HN 0.509 nan 8.250 nan 0.000 0.448 669 Q N 1.502 121.309 119.800 0.011 0.000 2.309 669 Q HA 0.332 4.667 4.340 -0.009 0.000 0.270 669 Q C -1.554 174.442 176.000 -0.007 0.000 1.023 669 Q CA -0.804 54.997 55.803 -0.004 0.000 0.758 669 Q CB 1.254 29.981 28.738 -0.018 0.000 1.247 669 Q HN 0.404 nan 8.270 nan 0.000 0.455 670 L N 5.245 126.471 121.223 0.004 0.000 2.289 670 L HA 0.555 4.890 4.340 -0.009 0.000 0.285 670 L C -1.667 175.204 176.870 0.002 0.000 1.049 670 L CA -0.123 54.727 54.840 0.018 0.000 0.804 670 L CB 1.073 43.166 42.059 0.056 0.000 1.195 670 L HN 0.678 nan 8.230 nan 0.000 0.428 671 L N 4.935 126.147 121.223 -0.018 0.000 2.354 671 L HA 0.943 5.278 4.340 -0.009 0.000 0.269 671 L C -0.566 176.285 176.870 -0.033 0.000 1.005 671 L CA -0.749 54.069 54.840 -0.037 0.000 0.819 671 L CB 1.908 43.916 42.059 -0.084 0.000 1.311 671 L HN 0.758 nan 8.230 nan 0.000 0.423 672 A N 1.183 123.990 122.820 -0.022 0.000 2.515 672 A HA 0.661 4.976 4.320 -0.009 0.000 0.298 672 A C -1.834 175.742 177.584 -0.014 0.000 1.059 672 A CA -0.460 51.565 52.037 -0.021 0.000 0.698 672 A CB 1.987 20.998 19.000 0.019 0.000 1.289 672 A HN 0.733 nan 8.150 nan 0.000 0.404 673 D N 0.204 120.589 120.400 -0.024 0.000 2.505 673 D HA 0.602 5.237 4.640 -0.009 0.000 0.249 673 D C -1.588 174.720 176.300 0.015 0.000 1.082 673 D CA -0.091 53.898 54.000 -0.019 0.000 0.839 673 D CB 1.030 41.787 40.800 -0.071 0.000 1.317 673 D HN 0.327 nan 8.370 nan 0.000 0.497 674 F N 3.147 123.013 119.950 -0.140 0.000 2.445 674 F HA 0.543 5.064 4.527 -0.010 0.000 0.348 674 F C -1.243 174.451 175.800 -0.176 0.000 1.125 674 F CA -0.433 57.455 58.000 -0.187 0.000 0.983 674 F CB 1.441 40.269 39.000 -0.286 0.000 1.198 674 F HN 0.219 nan 8.300 nan 0.000 0.436 675 S N 5.182 120.489 115.700 -0.655 0.000 2.482 675 S HA 0.768 5.233 4.470 -0.009 0.000 0.303 675 S C -0.853 173.381 174.600 -0.609 0.000 1.091 675 S CA -0.566 57.358 58.200 -0.461 0.000 1.057 675 S CB 1.042 64.082 63.200 -0.267 0.000 1.031 675 S HN 0.860 nan 8.310 nan 0.000 0.485 676 C N 2.005 121.099 119.300 -0.342 0.000 3.340 676 C HA 0.605 5.060 4.460 -0.009 0.000 0.333 676 C C 1.591 176.536 174.990 -0.075 0.000 1.464 676 C CA -0.912 57.976 59.018 -0.217 0.000 1.337 676 C CB 0.730 28.399 27.740 -0.118 0.000 1.740 676 C HN 0.858 nan 8.230 nan 0.000 0.450 677 N N 1.320 119.992 118.700 -0.048 0.000 2.149 677 N HA -0.188 4.547 4.740 -0.009 0.000 0.188 677 N C 0.985 176.452 175.510 -0.072 0.000 1.019 677 N CA 1.864 54.886 53.050 -0.048 0.000 0.857 677 N CB -0.398 38.065 38.487 -0.039 0.000 0.997 677 N HN 0.731 nan 8.380 nan 0.000 0.426 678 K N -0.613 119.727 120.400 -0.100 0.000 2.314 678 K HA 0.252 4.567 4.320 -0.009 0.000 0.198 678 K C -0.409 175.880 176.600 -0.519 0.000 1.045 678 K CA 0.317 56.410 56.287 -0.324 0.000 0.988 678 K CB 0.107 32.339 32.500 -0.446 0.000 0.783 678 K HN 0.213 nan 8.250 nan 0.000 0.484 679 F N 1.865 121.864 119.950 0.082 0.000 2.676 679 F HA 0.313 4.833 4.527 -0.010 0.000 0.371 679 F C -2.341 173.460 175.800 0.002 0.000 1.141 679 F CA -2.490 55.558 58.000 0.080 0.000 1.133 679 F CB 1.604 40.676 39.000 0.121 0.000 1.376 679 F HN -0.174 nan 8.300 nan 0.000 0.491 680 P HA 0.237 nan 4.420 nan 0.000 0.278 680 P C -0.003 177.343 177.300 0.077 0.000 1.238 680 P CA 0.015 63.153 63.100 0.063 0.000 0.794 680 P CB 1.753 33.494 31.700 0.068 0.000 0.955 681 A N 2.984 125.809 122.820 0.008 0.000 2.466 681 A HA -0.186 4.129 4.320 -0.009 0.000 0.295 681 A C 0.312 177.925 177.584 0.047 0.000 1.465 681 A CA 0.358 52.403 52.037 0.014 0.000 0.744 681 A CB -2.507 16.512 19.000 0.031 0.000 1.098 681 A HN 0.474 nan 8.150 nan 0.000 0.402 682 I N 1.319 121.921 120.570 0.054 0.000 2.441 682 I HA 0.222 4.387 4.170 -0.009 0.000 0.287 682 I C 0.613 176.752 176.117 0.036 0.000 1.049 682 I CA -0.251 61.081 61.300 0.054 0.000 1.381 682 I CB 0.862 38.879 38.000 0.027 0.000 1.409 682 I HN 0.285 nan 8.210 nan 0.000 0.523 683 K N 5.363 125.774 120.400 0.019 0.000 2.156 683 K HA 0.871 5.186 4.320 -0.009 0.000 0.250 683 K C -0.797 175.804 176.600 0.001 0.000 0.955 683 K CA -0.742 55.548 56.287 0.005 0.000 0.855 683 K CB 2.163 34.655 32.500 -0.013 0.000 1.101 683 K HN 0.661 nan 8.250 nan 0.000 0.434 684 A N 1.810 124.629 122.820 -0.001 0.000 2.549 684 A HA 0.777 5.091 4.320 -0.009 0.000 0.297 684 A C -1.286 176.294 177.584 -0.007 0.000 1.061 684 A CA -0.781 51.256 52.037 0.000 0.000 0.690 684 A CB 1.807 20.816 19.000 0.015 0.000 1.287 684 A HN 0.755 nan 8.150 nan 0.000 0.402 685 M N 2.264 121.858 119.600 -0.010 0.000 2.378 685 M HA 0.760 5.235 4.480 -0.009 0.000 0.289 685 M C -2.581 173.714 176.300 -0.008 0.000 1.136 685 M CA -0.880 54.410 55.300 -0.016 0.000 0.917 685 M CB 1.919 34.499 32.600 -0.033 0.000 1.669 685 M HN 0.823 nan 8.290 nan 0.000 0.461 686 L N 3.276 124.497 121.223 -0.003 0.000 2.476 686 L HA 0.518 4.853 4.340 -0.009 0.000 0.269 686 L C -1.262 175.607 176.870 -0.002 0.000 0.965 686 L CA 0.152 54.992 54.840 -0.001 0.000 0.845 686 L CB 2.267 44.331 42.059 0.008 0.000 1.259 686 L HN 0.785 nan 8.230 nan 0.000 0.403 687 S N 5.538 121.235 115.700 -0.005 0.000 2.523 687 S HA 0.707 5.171 4.470 -0.009 0.000 0.275 687 S C -0.376 174.224 174.600 -0.001 0.000 1.281 687 S CA -0.339 57.860 58.200 -0.002 0.000 1.050 687 S CB 0.007 63.205 63.200 -0.003 0.000 0.937 687 S HN 0.501 nan 8.310 nan 0.000 0.492 688 I N 3.956 124.527 120.570 0.002 0.000 2.447 688 I HA 0.311 4.476 4.170 -0.009 0.000 0.287 688 I C -0.919 175.200 176.117 0.003 0.000 1.023 688 I CA -0.832 60.468 61.300 0.001 0.000 1.083 688 I CB 2.034 40.036 38.000 0.004 0.000 1.245 688 I HN 0.466 nan 8.210 nan 0.000 0.434 689 D N 6.437 126.837 120.400 0.001 0.000 2.347 689 D HA 0.240 4.875 4.640 -0.009 0.000 0.235 689 D C -0.317 175.984 176.300 0.002 0.000 1.149 689 D CA -0.068 53.934 54.000 0.002 0.000 0.850 689 D CB 2.085 42.886 40.800 0.001 0.000 1.061 689 D HN 0.041 nan 8.370 nan 0.000 0.487 690 V N 2.388 122.305 119.914 0.005 0.000 2.406 690 V HA 0.491 4.606 4.120 -0.009 0.000 0.272 690 V C 0.767 176.863 176.094 0.004 0.000 1.043 690 V CA -0.707 61.596 62.300 0.004 0.000 0.915 690 V CB 1.068 32.896 31.823 0.007 0.000 0.988 690 V HN 0.595 nan 8.190 nan 0.000 0.466 691 A N 4.113 126.934 122.820 0.002 0.000 2.257 691 A HA 0.679 4.994 4.320 -0.009 0.000 0.289 691 A C 0.115 177.701 177.584 0.003 0.000 1.095 691 A CA -0.393 51.645 52.037 0.002 0.000 0.836 691 A CB 0.675 19.675 19.000 0.000 0.000 1.111 691 A HN 0.798 nan 8.150 nan 0.000 0.497 692 E N 0.000 120.202 120.200 0.003 0.000 2.725 692 E HA 0.000 4.345 4.350 -0.009 0.000 0.291 692 E CA 0.000 56.402 56.400 0.003 0.000 0.976 692 E CB 0.000 29.702 29.700 0.004 0.000 0.812 692 E HN 0.000 nan 8.360 nan 0.000 0.440