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 1up8_1_A DATA FIRST_RESID 1 DATA SEQUENCE GIPADNLQSR AKASFDTRVA AAELALNRGV VPSFANGEEL LYRNPDPDNT DATA SEQUENCE DPSFIASFTK GLPHDDNGAI IDPDDFLAFV RAINSGDEKE IADLTLGPAR DATA SEQUENCE DPETGLPIWR SDLANSLELE VRGWENSSAG LTFDLEGPDA QSIAMPPAPV DATA SEQUENCE LTSPELVAEI AELYLMALGR EIEFSEFDSP KNAEYIQFAI DQLNGLEWFN DATA SEQUENCE TPAKLGDPPA EIRRRRGEVT VGNLFRGILP GSEVGPYLSQ YIIVGSKQIG DATA SEQUENCE SATVGNKTLV SPNAADEFDG EIAYGSITIS QRVRIATPGR DFMTDLKVFL DATA SEQUENCE DVQDAADFRG FESYEPGARL IRTIRDLATW VHFDALYEAY LNACLILLAN DATA SEQUENCE GVPFDPNLPF QQEDKLDNQD VFVNFGSAHV LSLVTEVATR ALKAVRYQKF DATA SEQUENCE NIHRRLRPEA TGGLISVNKI AAQKGESIFP EVDLAVEELG DILEKAEISN DATA SEQUENCE RKQNIADGDP DPDPSFLLPM AFAEGSPFHP SYGSGHAVVA GACVTILKAF DATA SEQUENCE FDSGIEIDQV FEVDKDEDKL VKSSFKGTLT VAGELNKLAD NIAIGRNMAG DATA SEQUENCE VHYFSDQFES LLLGEQVAIG ILEEQSLTYG ENFFFNLPKF DGTTIQI 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 1 G C 0.000 174.901 174.900 0.001 0.000 0.946 1 G CA 0.000 45.101 45.100 0.001 0.000 0.502 2 I N 1.920 122.491 120.570 0.002 0.000 2.352 2 I HA 0.258 4.426 4.170 -0.002 0.000 0.290 2 I C -1.615 174.503 176.117 0.002 0.000 1.036 2 I CA -1.482 59.820 61.300 0.002 0.000 1.336 2 I CB 1.261 39.262 38.000 0.002 0.000 1.407 2 I HN 0.193 nan 8.210 nan 0.000 0.497 3 P HA 0.259 nan 4.420 nan 0.000 0.265 3 P C -0.756 176.546 177.300 0.003 0.000 1.187 3 P CA -0.081 63.021 63.100 0.002 0.000 0.766 3 P CB 0.647 32.347 31.700 0.001 0.000 0.820 4 A N 1.729 124.551 122.820 0.003 0.000 2.566 4 A HA 0.522 4.841 4.320 -0.002 0.000 0.292 4 A C -0.800 176.787 177.584 0.005 0.000 1.112 4 A CA -0.803 51.236 52.037 0.005 0.000 0.707 4 A CB 1.209 20.212 19.000 0.005 0.000 1.302 4 A HN 0.532 nan 8.150 nan 0.000 0.409 5 D N 0.931 121.335 120.400 0.007 0.000 2.423 5 D HA 0.321 4.960 4.640 -0.002 0.000 0.255 5 D C -0.689 175.616 176.300 0.009 0.000 1.174 5 D CA -0.193 53.812 54.000 0.008 0.000 1.008 5 D CB 0.819 41.625 40.800 0.010 0.000 1.101 5 D HN 0.682 nan 8.370 nan 0.000 0.516 6 N N -0.305 118.401 118.700 0.010 0.000 2.284 6 N HA 0.326 5.065 4.740 -0.002 0.000 0.289 6 N C -1.065 174.453 175.510 0.013 0.000 1.179 6 N CA -0.580 52.476 53.050 0.010 0.000 0.774 6 N CB 1.806 40.298 38.487 0.009 0.000 1.548 6 N HN 0.257 nan 8.380 nan 0.000 0.473 7 L N 0.288 121.518 121.223 0.013 0.000 2.421 7 L HA 0.356 4.695 4.340 -0.002 0.000 0.263 7 L C 0.727 177.606 176.870 0.015 0.000 1.122 7 L CA -0.573 54.276 54.840 0.014 0.000 0.804 7 L CB 0.903 42.970 42.059 0.014 0.000 1.150 7 L HN 0.677 nan 8.230 nan 0.000 0.457 8 Q N 0.034 119.844 119.800 0.017 0.000 2.892 8 Q HA 0.525 4.864 4.340 -0.002 0.000 0.307 8 Q C -0.815 175.195 176.000 0.017 0.000 1.039 8 Q CA -1.011 54.802 55.803 0.017 0.000 0.792 8 Q CB 1.565 30.317 28.738 0.022 0.000 1.504 8 Q HN 0.606 nan 8.270 nan 0.000 0.487 9 S N -0.203 115.505 115.700 0.014 0.000 2.568 9 S HA 0.051 4.520 4.470 -0.002 0.000 0.282 9 S C 0.847 175.459 174.600 0.019 0.000 1.338 9 S CA -0.023 58.184 58.200 0.011 0.000 1.045 9 S CB 1.343 64.545 63.200 0.003 0.000 0.873 9 S HN 0.824 nan 8.310 nan 0.000 0.516 10 R N 2.678 123.188 120.500 0.016 0.000 2.096 10 R HA -0.146 4.192 4.340 -0.002 0.000 0.240 10 R C 2.379 178.696 176.300 0.028 0.000 1.139 10 R CA 2.341 58.453 56.100 0.020 0.000 0.952 10 R CB -1.464 28.844 30.300 0.014 0.000 0.854 10 R HN 0.892 nan 8.270 nan 0.000 0.436 11 A N 0.864 123.697 122.820 0.022 0.000 1.892 11 A HA -0.201 4.118 4.320 -0.002 0.000 0.218 11 A C 2.000 179.621 177.584 0.063 0.000 1.188 11 A CA 1.934 53.989 52.037 0.030 0.000 0.631 11 A CB -0.518 18.485 19.000 0.004 0.000 0.822 11 A HN 0.298 nan 8.150 nan 0.000 0.447 12 K N -0.494 119.937 120.400 0.052 0.000 2.103 12 K HA 0.020 4.339 4.320 -0.002 0.000 0.204 12 K C 2.278 178.961 176.600 0.137 0.000 1.052 12 K CA 1.133 57.477 56.287 0.095 0.000 0.945 12 K CB -0.552 31.980 32.500 0.052 0.000 0.722 12 K HN 0.466 nan 8.250 nan 0.000 0.443 13 A N 1.024 123.892 122.820 0.080 0.000 1.930 13 A HA -0.160 4.159 4.320 -0.002 0.000 0.217 13 A C 2.397 180.013 177.584 0.054 0.000 1.175 13 A CA 2.121 54.194 52.037 0.059 0.000 0.627 13 A CB -0.577 18.445 19.000 0.036 0.000 0.815 13 A HN 0.311 nan 8.150 nan 0.000 0.443 14 S N -1.319 114.418 115.700 0.063 0.000 2.348 14 S HA -0.178 4.291 4.470 -0.002 0.000 0.221 14 S C 1.796 176.438 174.600 0.071 0.000 1.033 14 S CA 1.629 59.858 58.200 0.048 0.000 1.010 14 S CB -0.581 62.647 63.200 0.046 0.000 0.891 14 S HN 0.595 nan 8.310 nan 0.000 0.442 15 F N 2.679 122.616 119.950 -0.021 0.000 2.063 15 F HA -0.190 4.336 4.527 -0.002 0.000 0.298 15 F C 1.971 177.758 175.800 -0.021 0.000 1.109 15 F CA 2.460 60.447 58.000 -0.022 0.000 1.212 15 F CB -0.754 38.235 39.000 -0.019 0.000 0.973 15 F HN 0.240 nan 8.300 nan 0.000 0.480 16 D N -0.568 119.821 120.400 -0.018 0.000 2.178 16 D HA -0.138 4.501 4.640 -0.002 0.000 0.201 16 D C 2.324 178.533 176.300 -0.152 0.000 0.980 16 D CA 1.807 55.733 54.000 -0.125 0.000 0.842 16 D CB -0.675 40.137 40.800 0.021 0.000 0.948 16 D HN 0.330 nan 8.370 nan 0.000 0.472 17 T N 0.735 115.232 114.554 -0.095 0.000 2.708 17 T HA -0.111 4.237 4.350 -0.002 0.000 0.266 17 T C 2.011 176.636 174.700 -0.125 0.000 1.037 17 T CA 0.973 63.020 62.100 -0.087 0.000 1.146 17 T CB -0.014 68.820 68.868 -0.057 0.000 0.865 17 T HN 0.151 nan 8.240 nan 0.000 0.435 18 R N 0.363 120.768 120.500 -0.159 0.000 2.096 18 R HA -0.031 4.308 4.340 -0.002 0.000 0.235 18 R C 2.495 178.658 176.300 -0.228 0.000 1.127 18 R CA 0.953 56.949 56.100 -0.172 0.000 0.968 18 R CB -0.672 29.535 30.300 -0.155 0.000 0.861 18 R HN 0.233 nan 8.270 nan 0.000 0.440 19 V N 0.947 120.646 119.914 -0.360 0.000 2.358 19 V HA -0.212 3.907 4.120 -0.002 0.000 0.246 19 V C 2.416 178.392 176.094 -0.197 0.000 1.047 19 V CA 1.902 63.997 62.300 -0.342 0.000 1.035 19 V CB -0.671 30.847 31.823 -0.509 0.000 0.658 19 V HN 0.409 nan 8.190 nan 0.000 0.452 20 A N 0.020 122.743 122.820 -0.162 0.000 1.933 20 A HA -0.116 4.202 4.320 -0.002 0.000 0.218 20 A C 2.402 179.938 177.584 -0.081 0.000 1.175 20 A CA 2.084 54.061 52.037 -0.100 0.000 0.628 20 A CB -0.667 18.288 19.000 -0.076 0.000 0.814 20 A HN 0.563 nan 8.150 nan 0.000 0.444 21 A N -0.165 122.604 122.820 -0.085 0.000 1.898 21 A HA 0.221 4.540 4.320 -0.002 0.000 0.216 21 A C 2.511 180.056 177.584 -0.064 0.000 1.181 21 A CA 1.871 53.870 52.037 -0.063 0.000 0.620 21 A CB -1.041 17.923 19.000 -0.059 0.000 0.819 21 A HN 1.062 nan 8.150 nan 0.000 0.442 22 A N -0.163 122.605 122.820 -0.086 0.000 1.908 22 A HA -0.215 4.103 4.320 -0.002 0.000 0.218 22 A C 1.982 179.523 177.584 -0.071 0.000 1.181 22 A CA 2.296 54.283 52.037 -0.084 0.000 0.627 22 A CB -0.478 18.456 19.000 -0.109 0.000 0.818 22 A HN 0.576 nan 8.150 nan 0.000 0.445 23 E N -0.208 119.947 120.200 -0.074 0.000 2.072 23 E HA -0.095 4.253 4.350 -0.002 0.000 0.190 23 E C 1.856 178.429 176.600 -0.044 0.000 0.982 23 E CA 1.034 57.399 56.400 -0.059 0.000 0.803 23 E CB -0.388 29.275 29.700 -0.061 0.000 0.755 23 E HN 0.539 nan 8.360 nan 0.000 0.453 24 L N -0.129 121.069 121.223 -0.042 0.000 2.012 24 L HA -0.200 4.139 4.340 -0.002 0.000 0.210 24 L C 2.294 179.147 176.870 -0.028 0.000 1.073 24 L CA 1.849 56.670 54.840 -0.032 0.000 0.748 24 L CB -0.466 41.576 42.059 -0.028 0.000 0.891 24 L HN 0.285 nan 8.230 nan 0.000 0.431 25 A N -0.483 122.318 122.820 -0.031 0.000 1.902 25 A HA -0.241 4.078 4.320 -0.002 0.000 0.217 25 A C 2.159 179.727 177.584 -0.026 0.000 1.181 25 A CA 1.837 53.858 52.037 -0.027 0.000 0.623 25 A CB -0.901 18.082 19.000 -0.029 0.000 0.818 25 A HN 0.467 nan 8.150 nan 0.000 0.443 26 L N 0.550 121.753 121.223 -0.033 0.000 2.012 26 L HA -0.183 4.156 4.340 -0.002 0.000 0.210 26 L C 1.544 178.400 176.870 -0.023 0.000 1.073 26 L CA 2.220 57.042 54.840 -0.030 0.000 0.748 26 L CB -0.732 41.305 42.059 -0.037 0.000 0.891 26 L HN 0.346 nan 8.230 nan 0.000 0.431 27 N N -0.302 118.384 118.700 -0.023 0.000 2.573 27 N HA -0.088 4.651 4.740 -0.002 0.000 0.187 27 N C 1.706 177.208 175.510 -0.013 0.000 1.107 27 N CA 0.526 53.566 53.050 -0.018 0.000 0.918 27 N CB -0.233 38.242 38.487 -0.019 0.000 0.966 27 N HN 0.430 nan 8.380 nan 0.000 0.448 28 R N 0.341 120.832 120.500 -0.013 0.000 2.189 28 R HA 0.037 4.376 4.340 -0.002 0.000 0.223 28 R C 1.119 177.416 176.300 -0.005 0.000 1.092 28 R CA 0.607 56.702 56.100 -0.009 0.000 0.989 28 R CB -0.183 30.111 30.300 -0.010 0.000 0.876 28 R HN 0.196 nan 8.270 nan 0.000 0.457 29 G N 0.220 109.016 108.800 -0.007 0.000 2.750 29 G HA2 -0.254 3.704 3.960 -0.002 0.000 0.228 29 G HA3 -0.254 3.704 3.960 -0.002 0.000 0.228 29 G C -0.376 174.522 174.900 -0.004 0.000 1.367 29 G CA -0.331 44.767 45.100 -0.003 0.000 0.871 29 G HN 0.383 nan 8.290 nan 0.000 0.560 30 V N -3.046 116.867 119.914 -0.001 0.000 3.040 30 V HA 0.960 5.078 4.120 -0.002 0.000 0.312 30 V C 0.485 176.582 176.094 0.005 0.000 1.115 30 V CA -0.027 62.270 62.300 -0.004 0.000 0.998 30 V CB 1.438 33.252 31.823 -0.015 0.000 1.042 30 V HN 2.444 nan 8.190 nan 0.000 0.433 31 V N -0.709 119.208 119.914 0.005 0.000 2.914 31 V HA 0.901 5.020 4.120 -0.002 0.000 0.314 31 V C -2.605 173.468 176.094 -0.035 0.000 1.084 31 V CA -1.838 60.468 62.300 0.009 0.000 0.963 31 V CB 1.401 33.249 31.823 0.043 0.000 1.025 31 V HN 0.968 nan 8.190 nan 0.000 0.432 32 P HA 0.487 nan 4.420 nan 0.000 0.279 32 P C -0.568 176.490 177.300 -0.404 0.000 1.252 32 P CA -0.213 62.714 63.100 -0.287 0.000 0.811 32 P CB 1.278 32.709 31.700 -0.448 0.000 1.035 33 S N 0.485 115.951 115.700 -0.389 0.000 2.475 33 S HA 0.591 5.060 4.470 -0.002 0.000 0.298 33 S C -0.643 173.675 174.600 -0.470 0.000 1.119 33 S CA -0.290 57.738 58.200 -0.287 0.000 1.085 33 S CB 0.212 63.355 63.200 -0.096 0.000 1.028 33 S HN 0.259 nan 8.310 nan 0.000 0.489 34 F N 1.634 121.614 119.950 0.049 0.000 2.444 34 F HA 0.639 5.164 4.527 -0.002 0.000 0.342 34 F C 0.643 176.472 175.800 0.048 0.000 1.121 34 F CA -0.758 57.259 58.000 0.029 0.000 0.997 34 F CB 1.174 40.209 39.000 0.058 0.000 1.130 34 F HN 0.662 nan 8.300 nan 0.000 0.454 35 A N 1.931 124.827 122.820 0.128 0.000 2.246 35 A HA 0.326 4.645 4.320 -0.002 0.000 0.291 35 A C 0.821 178.482 177.584 0.130 0.000 1.103 35 A CA -0.568 51.534 52.037 0.108 0.000 0.844 35 A CB 0.341 19.334 19.000 -0.012 0.000 1.136 35 A HN 0.809 nan 8.150 nan 0.000 0.500 36 N N -0.838 117.917 118.700 0.091 0.000 2.336 36 N HA 0.248 4.986 4.740 -0.002 0.000 0.189 36 N C 0.896 176.395 175.510 -0.018 0.000 1.113 36 N CA 1.082 54.147 53.050 0.025 0.000 0.858 36 N CB 0.388 38.861 38.487 -0.022 0.000 0.970 36 N HN 1.601 nan 8.380 nan 0.000 0.471 37 G N 0.127 108.918 108.800 -0.016 0.000 2.195 37 G HA2 -0.328 3.630 3.960 -0.002 0.000 0.246 37 G HA3 -0.328 3.630 3.960 -0.002 0.000 0.246 37 G C 0.764 175.575 174.900 -0.148 0.000 0.984 37 G CA 0.362 45.428 45.100 -0.058 0.000 0.633 37 G HN 0.444 nan 8.290 nan 0.000 0.525 38 E N 0.069 120.167 120.200 -0.171 0.000 2.204 38 E HA -0.031 4.318 4.350 -0.002 0.000 0.194 38 E C 1.994 178.434 176.600 -0.267 0.000 0.989 38 E CA 0.938 57.115 56.400 -0.372 0.000 0.824 38 E CB -0.040 29.534 29.700 -0.211 0.000 0.756 38 E HN 0.705 nan 8.360 nan 0.000 0.477 39 E N 0.605 120.780 120.200 -0.043 0.000 2.118 39 E HA -0.165 4.184 4.350 -0.002 0.000 0.195 39 E C 1.689 178.322 176.600 0.054 0.000 0.992 39 E CA 0.881 57.353 56.400 0.120 0.000 0.804 39 E CB 0.183 30.033 29.700 0.251 0.000 0.741 39 E HN 0.210 nan 8.360 nan 0.000 0.458 40 L N 0.089 121.297 121.223 -0.026 0.000 2.638 40 L HA 0.069 4.408 4.340 -0.002 0.000 0.232 40 L C 1.987 178.774 176.870 -0.139 0.000 1.099 40 L CA -0.309 54.489 54.840 -0.071 0.000 0.883 40 L CB 0.112 42.170 42.059 -0.001 0.000 1.136 40 L HN 0.208 nan 8.230 nan 0.000 0.492 41 L N 0.171 121.254 121.223 -0.232 0.000 1.994 41 L HA -0.127 4.212 4.340 -0.002 0.000 0.208 41 L C 0.561 177.322 176.870 -0.182 0.000 1.071 41 L CA 1.687 56.358 54.840 -0.282 0.000 0.745 41 L CB -0.430 41.332 42.059 -0.495 0.000 0.892 41 L HN 0.002 nan 8.230 nan 0.000 0.431 42 Y N 1.203 121.467 120.300 -0.059 0.000 2.335 42 Y HA 0.426 4.975 4.550 -0.002 0.000 0.331 42 Y C 0.373 176.209 175.900 -0.106 0.000 1.094 42 Y CA -1.300 56.764 58.100 -0.059 0.000 1.253 42 Y CB 0.463 38.900 38.460 -0.038 0.000 1.203 42 Y HN 0.039 nan 8.280 nan 0.000 0.508 43 R N 1.554 122.110 120.500 0.093 0.000 2.832 43 R HA 0.200 4.539 4.340 -0.002 0.000 0.271 43 R C -0.636 175.670 176.300 0.010 0.000 0.996 43 R CA -1.434 54.664 56.100 -0.003 0.000 0.977 43 R CB 0.772 31.069 30.300 -0.005 0.000 1.168 43 R HN 0.648 nan 8.270 nan 0.000 0.482 44 N N 3.306 121.996 118.700 -0.017 0.000 2.357 44 N HA -0.038 4.701 4.740 -0.002 0.000 0.257 44 N C -1.417 174.098 175.510 0.009 0.000 1.250 44 N CA -0.653 52.402 53.050 0.008 0.000 0.862 44 N CB 0.702 39.191 38.487 0.003 0.000 1.066 44 N HN 0.298 nan 8.380 nan 0.000 0.468 45 P HA 0.063 nan 4.420 nan 0.000 0.241 45 P C -0.626 176.668 177.300 -0.009 0.000 1.191 45 P CA 0.190 63.286 63.100 -0.006 0.000 0.771 45 P CB 0.236 31.920 31.700 -0.027 0.000 0.929 46 D N 2.404 122.802 120.400 -0.004 0.000 2.458 46 D HA 0.117 4.756 4.640 -0.002 0.000 0.243 46 D C -2.047 174.253 176.300 -0.000 0.000 1.146 46 D CA -0.879 53.120 54.000 -0.002 0.000 0.877 46 D CB -0.359 40.444 40.800 0.004 0.000 1.176 46 D HN 0.167 nan 8.370 nan 0.000 0.461 47 P HA 0.088 nan 4.420 nan 0.000 0.269 47 P C -0.198 177.104 177.300 0.003 0.000 1.209 47 P CA 0.015 63.115 63.100 0.000 0.000 0.776 47 P CB 0.400 32.100 31.700 -0.001 0.000 0.876 48 D N -0.585 119.818 120.400 0.005 0.000 2.835 48 D HA -0.161 4.478 4.640 -0.002 0.000 0.230 48 D C -0.432 175.874 176.300 0.010 0.000 1.130 48 D CA 0.928 54.933 54.000 0.007 0.000 0.738 48 D CB -1.424 39.380 40.800 0.007 0.000 1.090 48 D HN 0.372 nan 8.370 nan 0.000 0.433 49 N N -0.384 118.322 118.700 0.009 0.000 2.287 49 N HA 0.374 5.113 4.740 -0.002 0.000 0.289 49 N C -0.516 174.999 175.510 0.007 0.000 1.066 49 N CA -0.101 52.956 53.050 0.011 0.000 0.841 49 N CB 1.413 39.907 38.487 0.012 0.000 1.599 49 N HN 0.032 nan 8.380 nan 0.000 0.476 50 T N -1.003 113.557 114.554 0.010 0.000 3.374 50 T HA 0.368 4.717 4.350 -0.002 0.000 0.267 50 T C -0.837 173.862 174.700 -0.001 0.000 0.996 50 T CA -0.610 61.492 62.100 0.005 0.000 0.977 50 T CB -0.141 68.734 68.868 0.011 0.000 1.149 50 T HN 0.241 nan 8.240 nan 0.000 0.517 51 D N 2.894 123.285 120.400 -0.014 0.000 2.350 51 D HA 0.442 5.081 4.640 -0.002 0.000 0.245 51 D C -2.681 173.542 176.300 -0.128 0.000 1.036 51 D CA -1.859 52.118 54.000 -0.040 0.000 0.848 51 D CB 2.315 43.115 40.800 0.001 0.000 1.307 51 D HN 0.127 nan 8.370 nan 0.000 0.469 52 P HA 0.020 nan 4.420 nan 0.000 0.269 52 P C 0.718 177.685 177.300 -0.554 0.000 1.215 52 P CA -0.081 62.703 63.100 -0.527 0.000 0.780 52 P CB 0.653 31.723 31.700 -1.051 0.000 0.898 53 S N 1.264 116.749 115.700 -0.357 0.000 2.486 53 S HA 0.031 4.500 4.470 -0.002 0.000 0.220 53 S C 0.883 175.437 174.600 -0.076 0.000 1.011 53 S CA -0.066 58.054 58.200 -0.133 0.000 0.921 53 S CB -1.097 62.124 63.200 0.035 0.000 0.785 53 S HN 0.423 nan 8.310 nan 0.000 0.517 54 F N 0.977 120.910 119.950 -0.029 0.000 3.093 54 F HA -0.277 4.249 4.527 -0.002 0.000 0.283 54 F C 1.215 176.933 175.800 -0.137 0.000 0.848 54 F CA 0.481 58.363 58.000 -0.196 0.000 1.059 54 F CB -2.307 36.372 39.000 -0.535 0.000 1.191 54 F HN 0.391 nan 8.300 nan 0.000 0.514 55 I N -1.924 118.703 120.570 0.095 0.000 2.567 55 I HA -0.117 4.052 4.170 -0.002 0.000 0.257 55 I C 2.016 178.131 176.117 -0.002 0.000 1.184 55 I CA 1.721 63.021 61.300 0.001 0.000 1.451 55 I CB -0.429 37.498 38.000 -0.120 0.000 1.089 55 I HN 0.216 nan 8.210 nan 0.000 0.441 56 A N 0.316 123.208 122.820 0.119 0.000 2.345 56 A HA 0.395 4.714 4.320 -0.002 0.000 0.225 56 A C 0.897 178.555 177.584 0.124 0.000 1.243 56 A CA -0.198 51.921 52.037 0.136 0.000 0.875 56 A CB -0.147 19.028 19.000 0.291 0.000 0.929 56 A HN 0.397 nan 8.150 nan 0.000 0.502 57 S N -0.742 115.010 115.700 0.086 0.000 2.608 57 S HA 0.520 4.988 4.470 -0.002 0.000 0.291 57 S C -0.468 174.228 174.600 0.160 0.000 1.146 57 S CA -0.540 57.724 58.200 0.106 0.000 1.043 57 S CB 0.771 63.911 63.200 -0.099 0.000 1.037 57 S HN 0.400 nan 8.310 nan 0.000 0.520 58 F N 3.376 123.415 119.950 0.147 0.000 2.557 58 F HA 0.180 4.706 4.527 -0.002 0.000 0.384 58 F C 1.356 177.294 175.800 0.230 0.000 1.057 58 F CA 0.308 58.403 58.000 0.158 0.000 1.169 58 F CB 0.293 39.386 39.000 0.155 0.000 1.070 58 F HN 0.626 nan 8.300 nan 0.000 0.554 59 T N 2.059 116.428 114.554 -0.309 0.000 3.170 59 T HA 0.158 4.507 4.350 -0.002 0.000 0.288 59 T C 0.404 174.898 174.700 -0.343 0.000 0.992 59 T CA -0.651 61.322 62.100 -0.211 0.000 0.909 59 T CB -0.292 68.576 68.868 -0.001 0.000 1.133 59 T HN 0.564 nan 8.240 nan 0.000 0.530 60 K N 1.342 121.201 120.400 -0.900 0.000 2.504 60 K HA 0.283 4.601 4.320 -0.002 0.000 0.278 60 K C 1.476 177.819 176.600 -0.429 0.000 1.025 60 K CA 1.645 57.501 56.287 -0.719 0.000 1.093 60 K CB -0.442 31.398 32.500 -1.099 0.000 0.873 60 K HN 0.525 nan 8.250 nan 0.000 0.483 61 G N 3.174 111.973 108.800 -0.002 0.000 2.279 61 G HA2 -0.244 3.714 3.960 -0.002 0.000 0.223 61 G HA3 -0.244 3.714 3.960 -0.002 0.000 0.223 61 G C 0.006 175.014 174.900 0.182 0.000 1.015 61 G CA -0.111 45.114 45.100 0.209 0.000 0.621 61 G HN 0.511 nan 8.290 nan 0.000 0.506 62 L N 3.157 124.449 121.223 0.116 0.000 2.371 62 L HA 0.419 4.758 4.340 -0.002 0.000 0.272 62 L C -1.729 175.020 176.870 -0.201 0.000 1.124 62 L CA -2.029 52.802 54.840 -0.015 0.000 0.816 62 L CB 0.768 42.769 42.059 -0.097 0.000 1.129 62 L HN 0.008 nan 8.230 nan 0.000 0.448 63 P HA 0.094 nan 4.420 nan 0.000 0.271 63 P C -1.149 176.044 177.300 -0.177 0.000 1.226 63 P CA 0.099 63.164 63.100 -0.058 0.000 0.765 63 P CB 0.347 32.043 31.700 -0.008 0.000 0.835 64 H N 0.520 119.628 119.070 0.063 0.000 2.567 64 H HA 0.323 4.878 4.556 -0.002 0.000 0.345 64 H C 0.666 176.046 175.328 0.087 0.000 1.169 64 H CA -0.285 55.807 56.048 0.073 0.000 1.227 64 H CB 0.722 30.520 29.762 0.060 0.000 1.607 64 H HN 0.403 nan 8.280 nan 0.000 0.534 65 D N -0.400 120.132 120.400 0.219 0.000 2.469 65 D HA -0.010 4.628 4.640 -0.002 0.000 0.278 65 D C 0.338 176.745 176.300 0.179 0.000 1.231 65 D CA -0.432 53.666 54.000 0.163 0.000 1.075 65 D CB 0.390 41.267 40.800 0.129 0.000 1.121 65 D HN 0.402 nan 8.370 nan 0.000 0.571 66 D N -1.509 118.974 120.400 0.139 0.000 2.348 66 D HA -0.059 4.580 4.640 -0.002 0.000 0.216 66 D C 0.513 176.908 176.300 0.158 0.000 0.970 66 D CA 0.706 54.787 54.000 0.134 0.000 0.889 66 D CB -0.366 40.489 40.800 0.093 0.000 0.912 66 D HN 0.453 nan 8.370 nan 0.000 0.524 67 N N -0.699 118.112 118.700 0.185 0.000 2.236 67 N HA 0.201 4.940 4.740 -0.002 0.000 0.196 67 N C 1.021 176.768 175.510 0.395 0.000 1.114 67 N CA 0.278 53.478 53.050 0.252 0.000 0.859 67 N CB 1.203 39.775 38.487 0.142 0.000 0.982 67 N HN 0.044 nan 8.380 nan 0.000 0.493 68 G N 0.337 109.328 108.800 0.317 0.000 2.148 68 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.254 68 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.254 68 G C 0.114 175.200 174.900 0.311 0.000 0.981 68 G CA 0.189 45.446 45.100 0.262 0.000 0.670 68 G HN 0.511 nan 8.290 nan 0.000 0.528 69 A N 0.049 123.098 122.820 0.381 0.000 2.304 69 A HA 0.793 5.112 4.320 -0.002 0.000 0.301 69 A C 0.818 178.559 177.584 0.261 0.000 1.132 69 A CA -0.228 52.008 52.037 0.333 0.000 0.819 69 A CB 0.426 19.637 19.000 0.352 0.000 1.094 69 A HN 1.600 nan 8.150 nan 0.000 0.492 70 I N 0.106 120.772 120.570 0.160 0.000 2.634 70 I HA 0.198 4.367 4.170 -0.002 0.000 0.284 70 I C 0.641 176.796 176.117 0.064 0.000 1.124 70 I CA -0.211 61.086 61.300 -0.004 0.000 1.417 70 I CB 0.356 38.328 38.000 -0.048 0.000 1.396 70 I HN 0.664 nan 8.210 nan 0.000 0.571 71 I N 1.756 122.345 120.570 0.030 0.000 2.233 71 I HA -0.089 4.080 4.170 -0.002 0.000 0.243 71 I C 0.724 176.882 176.117 0.069 0.000 1.093 71 I CA 1.498 62.831 61.300 0.055 0.000 1.380 71 I CB -0.158 37.865 38.000 0.039 0.000 1.067 71 I HN 0.730 nan 8.210 nan 0.000 0.413 72 D N 0.568 121.010 120.400 0.070 0.000 2.462 72 D HA 0.172 4.811 4.640 -0.002 0.000 0.245 72 D C -1.794 174.593 176.300 0.145 0.000 1.122 72 D CA -2.450 51.606 54.000 0.093 0.000 0.864 72 D CB 1.681 42.523 40.800 0.070 0.000 1.098 72 D HN -0.094 nan 8.370 nan 0.000 0.541 73 P HA -0.112 nan 4.420 nan 0.000 0.219 73 P C 0.617 178.092 177.300 0.291 0.000 1.146 73 P CA 0.654 63.974 63.100 0.367 0.000 0.808 73 P CB 0.652 32.592 31.700 0.401 0.000 0.779 74 D N 0.056 120.566 120.400 0.182 0.000 2.218 74 D HA -0.133 4.506 4.640 -0.002 0.000 0.204 74 D C 1.518 177.870 176.300 0.088 0.000 0.976 74 D CA 0.935 55.008 54.000 0.122 0.000 0.853 74 D CB -0.515 40.339 40.800 0.089 0.000 0.939 74 D HN 0.146 nan 8.370 nan 0.000 0.481 75 D N -0.307 120.150 120.400 0.096 0.000 2.097 75 D HA -0.152 4.487 4.640 -0.002 0.000 0.195 75 D C 1.784 178.126 176.300 0.070 0.000 0.989 75 D CA 0.504 54.550 54.000 0.076 0.000 0.827 75 D CB -0.446 40.394 40.800 0.067 0.000 0.966 75 D HN 0.223 nan 8.370 nan 0.000 0.456 76 F N 1.059 120.953 119.950 -0.093 0.000 2.113 76 F HA -0.045 4.481 4.527 -0.002 0.000 0.297 76 F C 2.119 177.824 175.800 -0.158 0.000 1.103 76 F CA 0.906 58.795 58.000 -0.185 0.000 1.248 76 F CB -0.265 38.420 39.000 -0.525 0.000 0.999 76 F HN -0.133 nan 8.300 nan 0.000 0.475 77 L N 0.011 121.133 121.223 -0.168 0.000 2.079 77 L HA -0.216 4.123 4.340 -0.002 0.000 0.210 77 L C 2.759 179.528 176.870 -0.168 0.000 1.081 77 L CA 1.213 55.950 54.840 -0.171 0.000 0.752 77 L CB -1.165 40.913 42.059 0.032 0.000 0.896 77 L HN 0.249 nan 8.230 nan 0.000 0.433 78 A N -0.360 122.407 122.820 -0.087 0.000 1.930 78 A HA -0.245 4.074 4.320 -0.002 0.000 0.217 78 A C 2.162 179.686 177.584 -0.100 0.000 1.175 78 A CA 1.314 53.312 52.037 -0.065 0.000 0.627 78 A CB -0.750 18.247 19.000 -0.004 0.000 0.815 78 A HN 0.400 nan 8.150 nan 0.000 0.443 79 F N 0.961 120.709 119.950 -0.336 0.000 2.134 79 F HA -0.154 4.372 4.527 -0.002 0.000 0.299 79 F C 2.195 177.721 175.800 -0.458 0.000 1.097 79 F CA 1.834 59.563 58.000 -0.452 0.000 1.264 79 F CB -0.536 38.142 39.000 -0.536 0.000 1.001 79 F HN 0.024 nan 8.300 nan 0.000 0.479 80 V N 1.213 120.739 119.914 -0.647 0.000 2.295 80 V HA -0.310 3.809 4.120 -0.002 0.000 0.246 80 V C 2.584 178.445 176.094 -0.389 0.000 1.049 80 V CA 2.289 64.219 62.300 -0.617 0.000 1.024 80 V CB -0.725 30.758 31.823 -0.566 0.000 0.648 80 V HN 0.287 nan 8.190 nan 0.000 0.447 81 R N 0.095 120.431 120.500 -0.274 0.000 2.091 81 R HA -0.157 4.182 4.340 -0.002 0.000 0.238 81 R C 2.446 178.633 176.300 -0.188 0.000 1.136 81 R CA 1.567 57.558 56.100 -0.181 0.000 0.959 81 R CB -0.649 29.581 30.300 -0.116 0.000 0.856 81 R HN 0.546 nan 8.270 nan 0.000 0.437 82 A N 1.264 123.957 122.820 -0.213 0.000 1.902 82 A HA -0.138 4.180 4.320 -0.002 0.000 0.217 82 A C 2.165 179.594 177.584 -0.259 0.000 1.181 82 A CA 1.169 53.091 52.037 -0.192 0.000 0.623 82 A CB -0.480 18.431 19.000 -0.149 0.000 0.818 82 A HN 0.184 nan 8.150 nan 0.000 0.443 83 I N 0.250 120.580 120.570 -0.400 0.000 2.163 83 I HA -0.287 3.881 4.170 -0.002 0.000 0.243 83 I C 1.792 177.759 176.117 -0.250 0.000 1.085 83 I CA 1.377 62.434 61.300 -0.405 0.000 1.347 83 I CB -0.381 37.310 38.000 -0.515 0.000 1.044 83 I HN 0.320 nan 8.210 nan 0.000 0.408 84 N N -0.156 118.419 118.700 -0.209 0.000 2.494 84 N HA -0.091 4.648 4.740 -0.002 0.000 0.182 84 N C 1.899 177.345 175.510 -0.107 0.000 1.076 84 N CA 1.311 54.281 53.050 -0.133 0.000 0.908 84 N CB 0.077 38.495 38.487 -0.116 0.000 0.967 84 N HN 0.379 nan 8.380 nan 0.000 0.449 85 S N -0.803 114.826 115.700 -0.118 0.000 2.460 85 S HA 0.190 4.659 4.470 -0.002 0.000 0.226 85 S C 1.576 176.123 174.600 -0.089 0.000 1.057 85 S CA 1.238 59.385 58.200 -0.088 0.000 0.948 85 S CB 0.108 63.264 63.200 -0.074 0.000 0.822 85 S HN 0.321 nan 8.310 nan 0.000 0.512 86 G N 1.196 109.932 108.800 -0.108 0.000 2.245 86 G HA2 -0.310 3.649 3.960 -0.002 0.000 0.264 86 G HA3 -0.310 3.649 3.960 -0.002 0.000 0.264 86 G C -0.096 174.766 174.900 -0.063 0.000 0.985 86 G CA 0.503 45.544 45.100 -0.098 0.000 0.625 86 G HN 0.812 nan 8.290 nan 0.000 0.536 87 D N 0.660 121.030 120.400 -0.050 0.000 2.520 87 D HA 0.347 4.986 4.640 -0.002 0.000 0.243 87 D C 1.560 177.850 176.300 -0.016 0.000 1.160 87 D CA 0.733 54.716 54.000 -0.028 0.000 0.877 87 D CB 0.379 41.165 40.800 -0.024 0.000 1.150 87 D HN 0.472 nan 8.370 nan 0.000 0.494 88 E N 2.541 122.738 120.200 -0.006 0.000 2.085 88 E HA -0.219 4.130 4.350 -0.002 0.000 0.194 88 E C 1.479 178.091 176.600 0.020 0.000 0.994 88 E CA 1.004 57.409 56.400 0.009 0.000 0.801 88 E CB -0.009 29.697 29.700 0.010 0.000 0.743 88 E HN 0.295 nan 8.360 nan 0.000 0.453 89 K N 1.252 121.661 120.400 0.014 0.000 2.026 89 K HA -0.180 4.139 4.320 -0.002 0.000 0.208 89 K C 1.954 178.568 176.600 0.024 0.000 1.048 89 K CA 1.709 58.008 56.287 0.019 0.000 0.929 89 K CB -0.301 32.206 32.500 0.013 0.000 0.713 89 K HN 0.170 nan 8.250 nan 0.000 0.439 90 E N -0.260 119.948 120.200 0.012 0.000 2.097 90 E HA -0.193 4.156 4.350 -0.002 0.000 0.196 90 E C 1.967 178.584 176.600 0.029 0.000 1.000 90 E CA 1.586 57.992 56.400 0.010 0.000 0.804 90 E CB -0.140 29.551 29.700 -0.014 0.000 0.740 90 E HN 0.351 nan 8.360 nan 0.000 0.454 91 I N 0.670 121.263 120.570 0.038 0.000 2.252 91 I HA -0.237 3.932 4.170 -0.002 0.000 0.245 91 I C 2.492 178.692 176.117 0.137 0.000 1.102 91 I CA 1.052 62.407 61.300 0.092 0.000 1.385 91 I CB -0.282 37.773 38.000 0.092 0.000 1.064 91 I HN 0.137 nan 8.210 nan 0.000 0.414 92 A N 0.090 122.968 122.820 0.096 0.000 2.070 92 A HA -0.214 4.105 4.320 -0.002 0.000 0.220 92 A C 1.773 179.410 177.584 0.089 0.000 1.159 92 A CA 1.852 53.943 52.037 0.091 0.000 0.656 92 A CB -0.499 18.535 19.000 0.057 0.000 0.800 92 A HN 0.352 nan 8.150 nan 0.000 0.453 93 D N -0.704 119.743 120.400 0.078 0.000 2.347 93 D HA 0.093 4.731 4.640 -0.002 0.000 0.213 93 D C 0.415 176.768 176.300 0.088 0.000 0.985 93 D CA 0.059 54.099 54.000 0.067 0.000 0.879 93 D CB -0.094 40.733 40.800 0.044 0.000 0.919 93 D HN 0.177 nan 8.370 nan 0.000 0.526 94 L N 0.685 121.988 121.223 0.133 0.000 2.476 94 L HA 0.106 4.445 4.340 -0.002 0.000 0.264 94 L C 0.792 177.774 176.870 0.186 0.000 1.224 94 L CA 0.470 55.414 54.840 0.173 0.000 0.821 94 L CB 0.257 42.478 42.059 0.270 0.000 1.101 94 L HN -0.213 nan 8.230 nan 0.000 0.488 95 T N 3.375 118.039 114.554 0.184 0.000 2.728 95 T HA 0.443 4.792 4.350 -0.002 0.000 0.296 95 T C -0.455 174.372 174.700 0.211 0.000 0.940 95 T CA -0.194 61.996 62.100 0.149 0.000 1.013 95 T CB 0.326 69.253 68.868 0.098 0.000 0.912 95 T HN 0.278 nan 8.240 nan 0.000 0.484 96 L N 4.163 125.463 121.223 0.129 0.000 2.349 96 L HA 0.738 5.076 4.340 -0.002 0.000 0.278 96 L C 0.392 177.267 176.870 0.008 0.000 0.996 96 L CA 0.715 55.585 54.840 0.051 0.000 0.825 96 L CB 0.526 42.543 42.059 -0.071 0.000 1.243 96 L HN 0.911 nan 8.230 nan 0.000 0.412 97 G N 4.847 113.668 108.800 0.036 0.000 2.760 97 G HA2 -0.121 3.838 3.960 -0.002 0.000 0.246 97 G HA3 -0.121 3.838 3.960 -0.002 0.000 0.246 97 G C -2.974 171.904 174.900 -0.036 0.000 1.359 97 G CA -0.420 44.700 45.100 0.034 0.000 0.861 97 G HN 0.657 nan 8.290 nan 0.000 0.541 98 P HA 0.583 nan 4.420 nan 0.000 0.293 98 P C 0.339 177.525 177.300 -0.190 0.000 1.304 98 P CA 0.395 63.400 63.100 -0.158 0.000 0.767 98 P CB 0.339 31.901 31.700 -0.231 0.000 1.247 99 A N 0.542 123.272 122.820 -0.150 0.000 2.483 99 A HA 0.173 4.492 4.320 -0.002 0.000 0.238 99 A C 0.437 177.909 177.584 -0.188 0.000 1.070 99 A CA 0.226 52.184 52.037 -0.131 0.000 0.770 99 A CB -0.532 18.416 19.000 -0.087 0.000 1.008 99 A HN 0.433 nan 8.150 nan 0.000 0.497 100 R N 0.686 121.098 120.500 -0.146 0.000 2.732 100 R HA 0.294 4.632 4.340 -0.002 0.000 0.278 100 R C -0.769 175.465 176.300 -0.109 0.000 0.976 100 R CA -0.836 55.172 56.100 -0.153 0.000 0.963 100 R CB 1.279 31.505 30.300 -0.124 0.000 1.150 100 R HN 0.829 nan 8.270 nan 0.000 0.478 101 D N 2.705 123.041 120.400 -0.106 0.000 2.371 101 D HA 0.048 4.687 4.640 -0.002 0.000 0.256 101 D C -1.602 174.667 176.300 -0.053 0.000 1.193 101 D CA -1.729 52.228 54.000 -0.072 0.000 0.881 101 D CB 1.457 42.218 40.800 -0.065 0.000 1.143 101 D HN 0.185 nan 8.370 nan 0.000 0.473 102 P HA -0.156 nan 4.420 nan 0.000 0.217 102 P C 0.883 178.167 177.300 -0.027 0.000 1.148 102 P CA 1.192 64.273 63.100 -0.031 0.000 0.828 102 P CB 0.377 32.062 31.700 -0.025 0.000 0.783 103 E N -1.183 119.002 120.200 -0.025 0.000 2.057 103 E HA -0.055 4.294 4.350 -0.002 0.000 0.190 103 E C 1.934 178.521 176.600 -0.021 0.000 0.969 103 E CA 1.831 58.219 56.400 -0.020 0.000 0.812 103 E CB -1.291 28.399 29.700 -0.016 0.000 0.777 103 E HN 0.344 nan 8.360 nan 0.000 0.455 104 T N -2.095 112.445 114.554 -0.025 0.000 3.014 104 T HA 0.204 4.552 4.350 -0.002 0.000 0.263 104 T C 1.692 176.374 174.700 -0.029 0.000 1.078 104 T CA 0.962 63.048 62.100 -0.024 0.000 1.135 104 T CB 0.106 68.961 68.868 -0.023 0.000 0.895 104 T HN 0.363 nan 8.240 nan 0.000 0.480 105 G N 1.146 109.923 108.800 -0.039 0.000 2.179 105 G HA2 -0.206 3.753 3.960 -0.002 0.000 0.260 105 G HA3 -0.206 3.753 3.960 -0.002 0.000 0.260 105 G C -0.067 174.794 174.900 -0.064 0.000 0.977 105 G CA 0.193 45.265 45.100 -0.046 0.000 0.641 105 G HN 0.633 nan 8.290 nan 0.000 0.533 106 L N 1.282 122.462 121.223 -0.071 0.000 2.375 106 L HA 0.443 4.782 4.340 -0.002 0.000 0.271 106 L C -1.781 174.974 176.870 -0.191 0.000 1.107 106 L CA -2.226 52.559 54.840 -0.092 0.000 0.806 106 L CB 1.068 43.097 42.059 -0.051 0.000 1.146 106 L HN -0.133 nan 8.230 nan 0.000 0.447 107 P HA 0.074 nan 4.420 nan 0.000 0.268 107 P C -0.720 176.110 177.300 -0.782 0.000 1.204 107 P CA 0.222 62.938 63.100 -0.640 0.000 0.768 107 P CB 0.372 31.473 31.700 -0.999 0.000 0.842 108 I N 3.792 123.983 120.570 -0.632 0.000 2.291 108 I HA 0.213 4.382 4.170 -0.002 0.000 0.290 108 I C 0.166 176.027 176.117 -0.428 0.000 1.050 108 I CA -0.400 60.659 61.300 -0.401 0.000 1.245 108 I CB 0.138 38.022 38.000 -0.193 0.000 1.405 108 I HN 0.295 nan 8.210 nan 0.000 0.478 109 W N 5.353 126.652 121.300 -0.002 0.000 2.253 109 W HA 0.390 5.049 4.660 -0.002 0.000 0.348 109 W C 1.559 178.094 176.519 0.027 0.000 1.229 109 W CA -0.714 56.638 57.345 0.012 0.000 1.335 109 W CB 0.529 29.992 29.460 0.005 0.000 1.165 109 W HN 0.390 nan 8.180 nan 0.000 0.631 110 R N 0.430 121.126 120.500 0.326 0.000 2.093 110 R HA -0.049 4.290 4.340 -0.002 0.000 0.224 110 R C 1.063 177.468 176.300 0.176 0.000 1.101 110 R CA 0.950 57.172 56.100 0.202 0.000 0.979 110 R CB -0.266 30.144 30.300 0.183 0.000 0.877 110 R HN 0.483 nan 8.270 nan 0.000 0.441 111 S N 0.143 115.961 115.700 0.196 0.000 2.610 111 S HA 0.105 4.574 4.470 -0.002 0.000 0.273 111 S C 0.253 174.932 174.600 0.132 0.000 1.274 111 S CA -0.937 57.347 58.200 0.139 0.000 1.023 111 S CB 1.701 64.974 63.200 0.121 0.000 0.962 111 S HN -0.038 nan 8.310 nan 0.000 0.523 112 D N 0.704 121.163 120.400 0.099 0.000 2.144 112 D HA -0.068 4.571 4.640 -0.002 0.000 0.200 112 D C 1.736 178.084 176.300 0.080 0.000 0.978 112 D CA 0.814 54.865 54.000 0.085 0.000 0.833 112 D CB -0.362 40.479 40.800 0.068 0.000 0.961 112 D HN 0.470 nan 8.370 nan 0.000 0.470 113 L N 0.986 122.260 121.223 0.084 0.000 1.989 113 L HA -0.112 4.227 4.340 -0.002 0.000 0.211 113 L C 2.087 178.958 176.870 0.001 0.000 1.071 113 L CA 2.024 56.910 54.840 0.076 0.000 0.749 113 L CB -0.956 41.178 42.059 0.126 0.000 0.890 113 L HN -0.007 nan 8.230 nan 0.000 0.431 114 A N -0.705 122.109 122.820 -0.009 0.000 1.930 114 A HA -0.190 4.129 4.320 -0.002 0.000 0.217 114 A C 2.104 179.647 177.584 -0.068 0.000 1.175 114 A CA 1.710 53.579 52.037 -0.279 0.000 0.627 114 A CB -0.737 17.932 19.000 -0.552 0.000 0.815 114 A HN 0.623 nan 8.150 nan 0.000 0.443 115 N N 0.487 119.269 118.700 0.138 0.000 2.142 115 N HA -0.138 4.601 4.740 -0.002 0.000 0.186 115 N C 2.127 177.689 175.510 0.087 0.000 1.023 115 N CA 1.800 54.964 53.050 0.190 0.000 0.852 115 N CB -0.404 38.184 38.487 0.168 0.000 0.998 115 N HN 0.644 nan 8.380 nan 0.000 0.424 116 S N 0.667 116.396 115.700 0.049 0.000 2.402 116 S HA -0.013 4.455 4.470 -0.002 0.000 0.229 116 S C 1.953 176.557 174.600 0.008 0.000 1.021 116 S CA 0.614 58.834 58.200 0.034 0.000 0.974 116 S CB -0.479 62.746 63.200 0.043 0.000 0.800 116 S HN 0.241 nan 8.310 nan 0.000 0.484 117 L N 0.801 121.997 121.223 -0.045 0.000 2.492 117 L HA 0.238 4.577 4.340 -0.002 0.000 0.223 117 L C 0.534 177.362 176.870 -0.071 0.000 1.132 117 L CA 0.327 55.112 54.840 -0.092 0.000 0.850 117 L CB -0.723 41.192 42.059 -0.239 0.000 0.966 117 L HN 0.300 nan 8.230 nan 0.000 0.454 118 E N 0.499 120.693 120.200 -0.009 0.000 2.389 118 E HA -0.215 4.134 4.350 -0.002 0.000 0.243 118 E C -0.253 176.376 176.600 0.047 0.000 1.154 118 E CA -0.020 56.408 56.400 0.046 0.000 0.723 118 E CB -1.760 27.953 29.700 0.023 0.000 1.261 118 E HN 0.430 nan 8.360 nan 0.000 0.390 119 L N 0.810 122.036 121.223 0.005 0.000 2.485 119 L HA 0.064 4.403 4.340 -0.002 0.000 0.275 119 L C 1.321 178.319 176.870 0.214 0.000 1.207 119 L CA 0.618 55.406 54.840 -0.085 0.000 0.855 119 L CB 0.212 41.938 42.059 -0.555 0.000 1.114 119 L HN 0.118 nan 8.230 nan 0.000 0.485 120 E N 1.331 121.575 120.200 0.073 0.000 2.302 120 E HA 0.350 4.699 4.350 -0.002 0.000 0.255 120 E C -0.727 175.946 176.600 0.122 0.000 1.099 120 E CA -0.572 55.899 56.400 0.118 0.000 0.929 120 E CB 1.957 31.663 29.700 0.011 0.000 1.203 120 E HN 0.334 nan 8.360 nan 0.000 0.459 121 V N -0.452 119.514 119.914 0.087 0.000 2.732 121 V HA 0.509 4.628 4.120 -0.002 0.000 0.297 121 V C 0.223 176.201 176.094 -0.194 0.000 1.060 121 V CA -0.647 61.647 62.300 -0.010 0.000 1.038 121 V CB 0.816 32.619 31.823 -0.033 0.000 1.003 121 V HN 0.643 nan 8.190 nan 0.000 0.481 122 R N 2.968 123.233 120.500 -0.392 0.000 2.668 122 R HA 0.844 5.182 4.340 -0.002 0.000 0.279 122 R C 0.095 175.873 176.300 -0.871 0.000 0.976 122 R CA -0.323 55.450 56.100 -0.546 0.000 0.978 122 R CB 1.606 31.561 30.300 -0.574 0.000 1.133 122 R HN 0.944 nan 8.270 nan 0.000 0.484 123 G N 0.547 108.986 108.800 -0.603 0.000 2.461 123 G HA2 0.324 4.283 3.960 -0.002 0.000 0.329 123 G HA3 0.324 4.283 3.960 -0.002 0.000 0.329 123 G C -0.742 174.056 174.900 -0.170 0.000 1.170 123 G CA -1.070 43.744 45.100 -0.476 0.000 0.935 123 G HN 0.454 nan 8.290 nan 0.000 0.492 124 W N 0.342 121.913 121.300 0.451 0.000 2.257 124 W HA 0.150 4.808 4.660 -0.002 0.000 0.337 124 W C 0.237 176.975 176.519 0.366 0.000 1.321 124 W CA 0.129 57.845 57.345 0.618 0.000 1.267 124 W CB 0.209 30.035 29.460 0.611 0.000 1.187 124 W HN 0.457 nan 8.180 nan 0.000 0.565 125 E N 2.201 122.784 120.200 0.638 0.000 2.028 125 E HA 0.068 4.417 4.350 -0.002 0.000 0.266 125 E C -0.437 176.310 176.600 0.246 0.000 0.962 125 E CA -0.353 56.282 56.400 0.392 0.000 0.784 125 E CB -0.081 29.890 29.700 0.451 0.000 1.114 125 E HN 0.381 nan 8.360 nan 0.000 0.414 126 N N 1.736 120.496 118.700 0.099 0.000 2.671 126 N HA -0.219 4.520 4.740 -0.002 0.000 0.261 126 N C 0.543 175.866 175.510 -0.312 0.000 1.053 126 N CA 0.606 53.628 53.050 -0.046 0.000 0.732 126 N CB -0.674 37.804 38.487 -0.014 0.000 0.887 126 N HN 0.485 nan 8.380 nan 0.000 0.546 127 S N -2.490 112.885 115.700 -0.543 0.000 2.447 127 S HA -0.042 4.427 4.470 -0.002 0.000 0.233 127 S C 1.258 175.327 174.600 -0.884 0.000 1.006 127 S CA 0.725 58.062 58.200 -1.439 0.000 0.957 127 S CB 0.415 63.016 63.200 -0.998 0.000 0.773 127 S HN 0.385 nan 8.310 nan 0.000 0.507 128 S N 0.777 116.223 115.700 -0.424 0.000 2.601 128 S HA 0.578 5.047 4.470 -0.002 0.000 0.244 128 S C 1.545 176.052 174.600 -0.155 0.000 1.001 128 S CA 0.090 58.141 58.200 -0.250 0.000 0.984 128 S CB 0.354 63.439 63.200 -0.191 0.000 0.842 128 S HN 0.631 nan 8.310 nan 0.000 0.474 129 A N 1.236 123.977 122.820 -0.133 0.000 2.070 129 A HA 0.058 4.376 4.320 -0.002 0.000 0.220 129 A C 2.079 179.635 177.584 -0.048 0.000 1.159 129 A CA 1.420 53.415 52.037 -0.070 0.000 0.656 129 A CB -0.821 18.157 19.000 -0.036 0.000 0.800 129 A HN 0.532 nan 8.150 nan 0.000 0.453 130 G N -0.750 108.048 108.800 -0.002 0.000 2.708 130 G HA2 0.084 4.043 3.960 -0.002 0.000 0.210 130 G HA3 0.084 4.043 3.960 -0.002 0.000 0.210 130 G C 1.176 176.034 174.900 -0.069 0.000 1.141 130 G CA 0.661 45.797 45.100 0.060 0.000 0.788 130 G HN 0.488 nan 8.290 nan 0.000 0.531 131 L N 0.359 121.494 121.223 -0.147 0.000 2.554 131 L HA 0.140 4.479 4.340 -0.002 0.000 0.225 131 L C 0.810 177.406 176.870 -0.457 0.000 1.104 131 L CA 0.012 54.684 54.840 -0.281 0.000 0.866 131 L CB -0.131 41.801 42.059 -0.213 0.000 1.047 131 L HN -0.049 nan 8.230 nan 0.000 0.468 132 T N 0.877 115.246 114.554 -0.308 0.000 2.901 132 T HA 0.231 4.580 4.350 -0.002 0.000 0.301 132 T C 0.002 174.514 174.700 -0.314 0.000 1.012 132 T CA -0.040 61.898 62.100 -0.269 0.000 1.135 132 T CB 0.423 69.223 68.868 -0.112 0.000 0.936 132 T HN -0.145 nan 8.240 nan 0.000 0.539 133 F N 1.095 121.018 119.950 -0.045 0.000 2.352 133 F HA 0.459 4.984 4.527 -0.002 0.000 0.304 133 F C 1.222 177.000 175.800 -0.037 0.000 1.215 133 F CA -0.529 57.442 58.000 -0.048 0.000 1.121 133 F CB 0.716 39.689 39.000 -0.044 0.000 1.329 133 F HN 0.440 nan 8.300 nan 0.000 0.528 134 D N -0.223 120.291 120.400 0.190 0.000 2.753 134 D HA 0.248 4.887 4.640 -0.002 0.000 0.224 134 D C 0.238 176.569 176.300 0.051 0.000 1.213 134 D CA -0.380 53.672 54.000 0.087 0.000 0.833 134 D CB 2.156 42.985 40.800 0.049 0.000 1.607 134 D HN 0.405 nan 8.370 nan 0.000 0.463 135 L N 1.141 122.381 121.223 0.027 0.000 2.376 135 L HA -0.001 4.338 4.340 -0.002 0.000 0.219 135 L C 0.884 177.749 176.870 -0.007 0.000 1.133 135 L CA 0.930 55.771 54.840 0.002 0.000 0.816 135 L CB -0.146 41.913 42.059 -0.000 0.000 0.933 135 L HN 0.441 nan 8.230 nan 0.000 0.449 136 E N -1.176 119.026 120.200 0.002 0.000 2.390 136 E HA 0.587 4.936 4.350 -0.002 0.000 0.277 136 E C -0.226 176.374 176.600 0.001 0.000 0.939 136 E CA -0.420 55.978 56.400 -0.003 0.000 0.769 136 E CB 2.136 31.836 29.700 -0.001 0.000 1.251 136 E HN -0.021 nan 8.360 nan 0.000 0.450 137 G N 1.320 110.118 108.800 -0.004 0.000 2.757 137 G HA2 -0.123 3.836 3.960 -0.002 0.000 0.638 137 G HA3 -0.123 3.836 3.960 -0.002 0.000 0.638 137 G C -2.741 172.155 174.900 -0.007 0.000 1.344 137 G CA -0.611 44.486 45.100 -0.006 0.000 0.855 137 G HN 0.569 nan 8.290 nan 0.000 0.537 138 P HA 0.317 nan 4.420 nan 0.000 0.267 138 P C 0.045 177.338 177.300 -0.012 0.000 1.205 138 P CA 0.177 63.270 63.100 -0.013 0.000 0.765 138 P CB 0.638 32.329 31.700 -0.015 0.000 0.828 139 D N 2.327 122.721 120.400 -0.009 0.000 2.449 139 D HA 0.067 4.706 4.640 -0.002 0.000 0.236 139 D C 1.316 177.576 176.300 -0.067 0.000 1.149 139 D CA 0.224 54.219 54.000 -0.009 0.000 0.878 139 D CB 0.660 41.469 40.800 0.016 0.000 1.198 139 D HN 0.324 nan 8.370 nan 0.000 0.446 140 A N 3.031 125.789 122.820 -0.104 0.000 2.032 140 A HA -0.247 4.071 4.320 -0.002 0.000 0.221 140 A C 1.730 179.145 177.584 -0.282 0.000 1.165 140 A CA 1.641 53.588 52.037 -0.149 0.000 0.645 140 A CB -0.371 18.535 19.000 -0.157 0.000 0.807 140 A HN 0.782 nan 8.150 nan 0.000 0.453 141 Q N -0.739 118.805 119.800 -0.427 0.000 2.247 141 Q HA 0.048 4.387 4.340 -0.002 0.000 0.211 141 Q C 1.773 177.617 176.000 -0.259 0.000 0.861 141 Q CA 0.573 55.952 55.803 -0.706 0.000 0.949 141 Q CB 0.304 28.450 28.738 -0.987 0.000 1.115 141 Q HN 0.788 nan 8.270 nan 0.000 0.507 142 S N 0.378 115.997 115.700 -0.136 0.000 2.489 142 S HA 0.048 4.516 4.470 -0.002 0.000 0.228 142 S C 1.003 175.593 174.600 -0.016 0.000 0.995 142 S CA -0.120 58.045 58.200 -0.058 0.000 0.934 142 S CB -0.363 62.813 63.200 -0.041 0.000 0.771 142 S HN 0.402 nan 8.310 nan 0.000 0.522 143 I N -2.155 118.416 120.570 0.001 0.000 3.067 143 I HA 0.934 5.102 4.170 -0.002 0.000 0.312 143 I C -0.526 175.640 176.117 0.081 0.000 1.073 143 I CA -1.813 59.507 61.300 0.034 0.000 1.016 143 I CB 1.909 39.922 38.000 0.021 0.000 1.227 143 I HN 0.075 nan 8.210 nan 0.000 0.456 144 A N 3.302 126.173 122.820 0.085 0.000 2.498 144 A HA 0.838 5.157 4.320 -0.002 0.000 0.298 144 A C -0.965 176.694 177.584 0.124 0.000 1.075 144 A CA -0.773 51.337 52.037 0.122 0.000 0.714 144 A CB 2.045 21.113 19.000 0.112 0.000 1.299 144 A HN 0.795 nan 8.150 nan 0.000 0.407 145 M N 2.943 122.652 119.600 0.183 0.000 2.436 145 M HA 0.432 4.911 4.480 -0.002 0.000 0.331 145 M C -2.282 174.208 176.300 0.316 0.000 1.135 145 M CA -1.877 53.519 55.300 0.159 0.000 0.987 145 M CB 2.437 35.014 32.600 -0.038 0.000 1.687 145 M HN 0.544 nan 8.290 nan 0.000 0.445 146 P HA 0.299 nan 4.420 nan 0.000 0.274 146 P C -2.764 174.707 177.300 0.285 0.000 1.256 146 P CA -1.432 61.848 63.100 0.301 0.000 0.795 146 P CB -0.839 30.998 31.700 0.228 0.000 1.038 147 P HA 0.019 nan 4.420 nan 0.000 0.264 147 P C -0.136 177.058 177.300 -0.176 0.000 1.183 147 P CA 0.602 63.773 63.100 0.118 0.000 0.763 147 P CB -0.102 31.659 31.700 0.103 0.000 0.807 148 A N 6.065 128.584 122.820 -0.501 0.000 2.425 148 A HA 0.360 4.679 4.320 -0.002 0.000 0.242 148 A C -2.011 175.361 177.584 -0.353 0.000 1.077 148 A CA -1.069 50.528 52.037 -0.733 0.000 0.781 148 A CB -1.237 17.209 19.000 -0.923 0.000 1.020 148 A HN 0.409 nan 8.150 nan 0.000 0.494 149 P HA 0.196 nan 4.420 nan 0.000 0.266 149 P C -0.107 177.059 177.300 -0.224 0.000 1.193 149 P CA 0.021 62.963 63.100 -0.265 0.000 0.770 149 P CB 0.352 31.849 31.700 -0.338 0.000 0.836 150 V N 1.558 121.385 119.914 -0.145 0.000 2.863 150 V HA 0.213 4.332 4.120 -0.002 0.000 0.307 150 V C 1.494 177.551 176.094 -0.062 0.000 1.061 150 V CA -0.391 61.867 62.300 -0.069 0.000 1.024 150 V CB 0.414 32.231 31.823 -0.010 0.000 1.049 150 V HN 0.423 nan 8.190 nan 0.000 0.471 151 L N 2.004 123.233 121.223 0.009 0.000 2.189 151 L HA -0.134 4.205 4.340 -0.002 0.000 0.214 151 L C 2.557 179.410 176.870 -0.028 0.000 1.097 151 L CA 2.091 56.918 54.840 -0.021 0.000 0.764 151 L CB -0.657 41.386 42.059 -0.027 0.000 0.900 151 L HN 1.063 nan 8.230 nan 0.000 0.436 152 T N -4.106 110.452 114.554 0.006 0.000 3.129 152 T HA 0.055 4.404 4.350 -0.002 0.000 0.251 152 T C 0.898 175.585 174.700 -0.021 0.000 1.117 152 T CA 0.141 62.240 62.100 -0.002 0.000 1.034 152 T CB -0.278 68.611 68.868 0.035 0.000 0.968 152 T HN 0.313 nan 8.240 nan 0.000 0.526 153 S N 1.625 117.294 115.700 -0.053 0.000 2.584 153 S HA 0.356 4.825 4.470 -0.002 0.000 0.273 153 S C -1.844 172.699 174.600 -0.094 0.000 1.311 153 S CA -1.259 56.896 58.200 -0.074 0.000 1.034 153 S CB 1.378 64.502 63.200 -0.127 0.000 0.939 153 S HN -0.062 nan 8.310 nan 0.000 0.513 154 P HA -0.152 nan 4.420 nan 0.000 0.216 154 P C 1.408 178.576 177.300 -0.221 0.000 1.150 154 P CA 1.326 64.411 63.100 -0.025 0.000 0.843 154 P CB 0.063 31.835 31.700 0.120 0.000 0.787 155 E N -0.600 119.280 120.200 -0.534 0.000 2.058 155 E HA -0.194 4.155 4.350 -0.002 0.000 0.194 155 E C 1.837 178.016 176.600 -0.702 0.000 0.997 155 E CA 0.921 56.567 56.400 -1.257 0.000 0.801 155 E CB -0.567 28.234 29.700 -1.497 0.000 0.746 155 E HN 0.048 nan 8.360 nan 0.000 0.450 156 L N 0.692 121.670 121.223 -0.408 0.000 2.109 156 L HA -0.100 4.239 4.340 -0.002 0.000 0.207 156 L C 2.304 179.101 176.870 -0.123 0.000 1.086 156 L CA 1.093 55.780 54.840 -0.255 0.000 0.760 156 L CB -0.578 41.352 42.059 -0.216 0.000 0.910 156 L HN 0.148 nan 8.230 nan 0.000 0.437 157 V N 0.995 120.847 119.914 -0.104 0.000 2.287 157 V HA -0.302 3.816 4.120 -0.002 0.000 0.248 157 V C 3.028 179.135 176.094 0.023 0.000 1.053 157 V CA 1.777 64.065 62.300 -0.020 0.000 1.027 157 V CB -1.315 30.502 31.823 -0.010 0.000 0.646 157 V HN 0.583 nan 8.190 nan 0.000 0.447 158 A N -0.607 122.193 122.820 -0.032 0.000 1.933 158 A HA -0.224 4.095 4.320 -0.002 0.000 0.218 158 A C 2.196 179.863 177.584 0.138 0.000 1.175 158 A CA 1.807 53.898 52.037 0.090 0.000 0.628 158 A CB -0.424 18.528 19.000 -0.079 0.000 0.814 158 A HN 0.642 nan 8.150 nan 0.000 0.444 159 E N -0.929 119.280 120.200 0.014 0.000 2.047 159 E HA -0.163 4.186 4.350 -0.002 0.000 0.191 159 E C 1.863 178.604 176.600 0.236 0.000 0.987 159 E CA 1.237 57.726 56.400 0.148 0.000 0.799 159 E CB -0.228 29.546 29.700 0.124 0.000 0.752 159 E HN 0.576 nan 8.360 nan 0.000 0.449 160 I N 1.045 121.748 120.570 0.221 0.000 2.439 160 I HA -0.157 4.012 4.170 -0.002 0.000 0.251 160 I C 2.116 178.421 176.117 0.313 0.000 1.139 160 I CA 0.898 62.351 61.300 0.254 0.000 1.438 160 I CB -0.228 37.929 38.000 0.261 0.000 1.085 160 I HN -0.003 nan 8.210 nan 0.000 0.427 161 A N -0.104 122.871 122.820 0.258 0.000 1.883 161 A HA -0.321 3.998 4.320 -0.002 0.000 0.217 161 A C 2.374 180.116 177.584 0.264 0.000 1.186 161 A CA 2.168 54.351 52.037 0.244 0.000 0.624 161 A CB -0.960 18.139 19.000 0.165 0.000 0.822 161 A HN 0.586 nan 8.150 nan 0.000 0.444 162 E N -0.184 120.173 120.200 0.262 0.000 2.085 162 E HA -0.193 4.156 4.350 -0.002 0.000 0.194 162 E C 1.920 178.621 176.600 0.168 0.000 0.994 162 E CA 1.371 57.936 56.400 0.276 0.000 0.801 162 E CB -0.247 29.651 29.700 0.330 0.000 0.743 162 E HN 0.648 nan 8.360 nan 0.000 0.453 163 L N -0.406 120.890 121.223 0.122 0.000 2.093 163 L HA -0.158 4.181 4.340 -0.002 0.000 0.208 163 L C 2.291 179.131 176.870 -0.051 0.000 1.085 163 L CA 0.996 55.820 54.840 -0.027 0.000 0.755 163 L CB -0.505 41.492 42.059 -0.104 0.000 0.904 163 L HN 0.227 nan 8.230 nan 0.000 0.435 164 Y N 0.132 120.454 120.300 0.036 0.000 2.224 164 Y HA -0.209 4.341 4.550 -0.002 0.000 0.289 164 Y C 2.451 178.415 175.900 0.108 0.000 1.146 164 Y CA 1.129 59.264 58.100 0.057 0.000 1.182 164 Y CB -0.139 38.373 38.460 0.086 0.000 0.983 164 Y HN 0.059 nan 8.280 nan 0.000 0.524 165 L N -1.031 120.383 121.223 0.318 0.000 2.141 165 L HA -0.248 4.091 4.340 -0.002 0.000 0.209 165 L C 2.202 179.239 176.870 0.278 0.000 1.094 165 L CA 1.163 56.240 54.840 0.395 0.000 0.763 165 L CB -0.440 41.873 42.059 0.424 0.000 0.908 165 L HN 0.341 nan 8.230 nan 0.000 0.437 166 M N -0.702 118.836 119.600 -0.105 0.000 2.099 166 M HA -0.140 4.339 4.480 -0.002 0.000 0.262 166 M C 2.567 178.769 176.300 -0.164 0.000 1.067 166 M CA 1.784 56.840 55.300 -0.406 0.000 1.124 166 M CB -0.473 31.798 32.600 -0.549 0.000 1.353 166 M HN 0.281 nan 8.290 nan 0.000 0.410 167 A N 0.507 123.263 122.820 -0.108 0.000 1.940 167 A HA -0.119 4.200 4.320 -0.002 0.000 0.219 167 A C 2.031 179.575 177.584 -0.067 0.000 1.176 167 A CA 1.461 53.436 52.037 -0.104 0.000 0.631 167 A CB -0.940 17.992 19.000 -0.114 0.000 0.814 167 A HN 0.487 nan 8.150 nan 0.000 0.446 168 L N -1.120 120.112 121.223 0.015 0.000 2.492 168 L HA 0.069 4.408 4.340 -0.002 0.000 0.223 168 L C 2.094 178.792 176.870 -0.286 0.000 1.132 168 L CA 0.538 55.341 54.840 -0.061 0.000 0.850 168 L CB -0.132 41.976 42.059 0.083 0.000 0.966 168 L HN 0.458 nan 8.230 nan 0.000 0.454 169 G N -0.930 107.782 108.800 -0.147 0.000 3.434 169 G HA2 0.051 4.009 3.960 -0.002 0.000 0.258 169 G HA3 0.051 4.009 3.960 -0.002 0.000 0.258 169 G C 1.371 176.183 174.900 -0.147 0.000 1.128 169 G CA -0.401 44.586 45.100 -0.188 0.000 0.792 169 G HN 0.150 nan 8.290 nan 0.000 0.539 170 R N -0.146 120.262 120.500 -0.155 0.000 2.193 170 R HA -0.042 4.297 4.340 -0.002 0.000 0.229 170 R C 1.471 177.693 176.300 -0.131 0.000 1.110 170 R CA 0.963 56.983 56.100 -0.134 0.000 0.988 170 R CB 0.191 30.419 30.300 -0.120 0.000 0.871 170 R HN 0.164 nan 8.270 nan 0.000 0.458 171 E N -0.132 119.983 120.200 -0.142 0.000 2.474 171 E HA 0.140 4.488 4.350 -0.002 0.000 0.195 171 E C -0.232 176.300 176.600 -0.113 0.000 1.039 171 E CA -0.001 56.329 56.400 -0.116 0.000 0.881 171 E CB 0.320 29.953 29.700 -0.111 0.000 0.970 171 E HN 0.201 nan 8.360 nan 0.000 0.486 172 I N 2.024 122.515 120.570 -0.131 0.000 2.618 172 I HA -0.029 4.139 4.170 -0.002 0.000 0.284 172 I C 0.544 176.598 176.117 -0.104 0.000 1.146 172 I CA 0.264 61.508 61.300 -0.093 0.000 1.425 172 I CB 0.554 38.495 38.000 -0.098 0.000 1.383 172 I HN -0.068 nan 8.210 nan 0.000 0.562 173 E N 5.397 125.584 120.200 -0.022 0.000 2.289 173 E HA 0.111 4.460 4.350 -0.002 0.000 0.278 173 E C 0.291 176.945 176.600 0.089 0.000 1.032 173 E CA -0.216 56.178 56.400 -0.009 0.000 0.854 173 E CB 0.840 30.570 29.700 0.051 0.000 1.046 173 E HN 0.447 nan 8.360 nan 0.000 0.409 174 F N 1.215 121.211 119.950 0.076 0.000 2.126 174 F HA -0.254 4.272 4.527 -0.002 0.000 0.299 174 F C 2.647 178.359 175.800 -0.146 0.000 1.096 174 F CA 1.425 59.297 58.000 -0.212 0.000 1.255 174 F CB -0.168 38.647 39.000 -0.308 0.000 0.997 174 F HN 0.437 nan 8.300 nan 0.000 0.479 175 S N -0.801 114.996 115.700 0.162 0.000 2.603 175 S HA -0.078 4.391 4.470 -0.002 0.000 0.229 175 S C 1.055 175.738 174.600 0.138 0.000 0.972 175 S CA 0.771 59.042 58.200 0.118 0.000 0.935 175 S CB -0.424 62.841 63.200 0.109 0.000 0.769 175 S HN 0.532 nan 8.310 nan 0.000 0.536 176 E N -0.644 119.673 120.200 0.196 0.000 2.693 176 E HA 0.280 4.629 4.350 -0.002 0.000 0.214 176 E C 0.014 176.778 176.600 0.273 0.000 0.990 176 E CA -0.343 56.171 56.400 0.189 0.000 1.047 176 E CB 0.114 29.890 29.700 0.127 0.000 1.039 176 E HN 0.386 nan 8.360 nan 0.000 0.475 177 F N 1.509 121.492 119.950 0.054 0.000 2.192 177 F HA -0.207 4.319 4.527 -0.002 0.000 0.301 177 F C 1.893 177.714 175.800 0.035 0.000 1.079 177 F CA 1.303 59.331 58.000 0.046 0.000 1.303 177 F CB 0.099 39.140 39.000 0.068 0.000 1.024 177 F HN 0.050 nan 8.300 nan 0.000 0.494 178 D N -0.485 120.048 120.400 0.223 0.000 2.340 178 D HA 0.028 4.667 4.640 -0.002 0.000 0.217 178 D C 0.593 176.945 176.300 0.086 0.000 1.081 178 D CA 0.184 54.260 54.000 0.128 0.000 0.842 178 D CB 0.088 40.958 40.800 0.116 0.000 0.934 178 D HN 0.179 nan 8.370 nan 0.000 0.511 179 S N 0.357 116.110 115.700 0.088 0.000 2.565 179 S HA 0.245 4.714 4.470 -0.002 0.000 0.274 179 S C -1.646 172.980 174.600 0.044 0.000 1.309 179 S CA -1.026 57.212 58.200 0.063 0.000 1.043 179 S CB 2.335 65.575 63.200 0.066 0.000 0.939 179 S HN -0.229 nan 8.310 nan 0.000 0.504 180 P HA -0.137 nan 4.420 nan 0.000 0.216 180 P C 1.376 178.688 177.300 0.021 0.000 1.150 180 P CA 1.237 64.352 63.100 0.024 0.000 0.843 180 P CB 0.038 31.750 31.700 0.020 0.000 0.787 181 K N -0.542 119.871 120.400 0.022 0.000 2.113 181 K HA -0.181 4.138 4.320 -0.002 0.000 0.208 181 K C 1.328 177.940 176.600 0.019 0.000 1.047 181 K CA 1.568 57.865 56.287 0.017 0.000 0.928 181 K CB -0.281 32.228 32.500 0.015 0.000 0.716 181 K HN 0.046 nan 8.250 nan 0.000 0.446 182 N N -0.209 118.507 118.700 0.027 0.000 2.280 182 N HA 0.073 4.812 4.740 -0.002 0.000 0.192 182 N C 1.143 176.676 175.510 0.038 0.000 1.109 182 N CA 0.640 53.711 53.050 0.034 0.000 0.855 182 N CB 0.516 39.019 38.487 0.027 0.000 0.974 182 N HN 0.250 nan 8.380 nan 0.000 0.482 183 A N 1.396 124.231 122.820 0.025 0.000 1.927 183 A HA -0.220 4.099 4.320 -0.002 0.000 0.220 183 A C 2.123 179.717 177.584 0.016 0.000 1.185 183 A CA 1.454 53.500 52.037 0.014 0.000 0.639 183 A CB -0.394 18.613 19.000 0.012 0.000 0.820 183 A HN 0.274 nan 8.150 nan 0.000 0.451 184 E N -1.619 118.600 120.200 0.032 0.000 2.028 184 E HA -0.210 4.139 4.350 -0.002 0.000 0.191 184 E C 1.928 178.566 176.600 0.064 0.000 0.988 184 E CA 1.557 57.979 56.400 0.037 0.000 0.799 184 E CB -0.313 29.402 29.700 0.026 0.000 0.755 184 E HN 0.726 nan 8.360 nan 0.000 0.447 185 Y N 1.119 121.407 120.300 -0.020 0.000 2.200 185 Y HA -0.188 4.361 4.550 -0.002 0.000 0.290 185 Y C 2.212 178.137 175.900 0.041 0.000 1.137 185 Y CA 1.299 59.402 58.100 0.005 0.000 1.163 185 Y CB -0.135 38.303 38.460 -0.037 0.000 0.988 185 Y HN 0.045 nan 8.280 nan 0.000 0.518 186 I N 0.166 120.703 120.570 -0.054 0.000 2.226 186 I HA -0.273 3.896 4.170 -0.002 0.000 0.245 186 I C 2.192 178.179 176.117 -0.216 0.000 1.100 186 I CA 1.536 62.722 61.300 -0.190 0.000 1.374 186 I CB -1.142 36.767 38.000 -0.152 0.000 1.057 186 I HN 0.316 nan 8.210 nan 0.000 0.413 187 Q N 0.381 120.109 119.800 -0.119 0.000 2.172 187 Q HA -0.170 4.168 4.340 -0.002 0.000 0.200 187 Q C 2.016 177.951 176.000 -0.109 0.000 0.964 187 Q CA 1.257 56.998 55.803 -0.103 0.000 0.855 187 Q CB -0.526 28.184 28.738 -0.047 0.000 0.918 187 Q HN 0.428 nan 8.270 nan 0.000 0.444 188 F N 0.171 119.971 119.950 -0.251 0.000 2.102 188 F HA -0.123 4.403 4.527 -0.002 0.000 0.298 188 F C 1.871 177.483 175.800 -0.314 0.000 1.105 188 F CA 1.613 59.457 58.000 -0.260 0.000 1.239 188 F CB -0.658 38.175 39.000 -0.279 0.000 0.991 188 F HN 0.103 nan 8.300 nan 0.000 0.474 189 A N 1.033 123.602 122.820 -0.418 0.000 1.865 189 A HA -0.200 4.119 4.320 -0.002 0.000 0.217 189 A C 2.294 179.634 177.584 -0.407 0.000 1.191 189 A CA 2.294 54.064 52.037 -0.444 0.000 0.623 189 A CB -1.373 17.378 19.000 -0.416 0.000 0.826 189 A HN 0.524 nan 8.150 nan 0.000 0.444 190 I N -0.079 120.276 120.570 -0.358 0.000 2.163 190 I HA -0.265 3.904 4.170 -0.002 0.000 0.243 190 I C 1.971 177.917 176.117 -0.286 0.000 1.085 190 I CA 1.665 62.779 61.300 -0.310 0.000 1.347 190 I CB -0.561 37.295 38.000 -0.240 0.000 1.044 190 I HN 0.257 nan 8.210 nan 0.000 0.408 191 D N 0.351 120.591 120.400 -0.267 0.000 2.117 191 D HA -0.179 4.460 4.640 -0.002 0.000 0.197 191 D C 2.277 178.408 176.300 -0.283 0.000 0.987 191 D CA 1.009 54.867 54.000 -0.236 0.000 0.829 191 D CB -0.353 40.333 40.800 -0.190 0.000 0.961 191 D HN 0.295 nan 8.370 nan 0.000 0.460 192 Q N 0.186 119.726 119.800 -0.434 0.000 2.061 192 Q HA -0.077 4.262 4.340 -0.002 0.000 0.204 192 Q C 2.656 178.511 176.000 -0.243 0.000 0.984 192 Q CA 0.739 56.292 55.803 -0.416 0.000 0.846 192 Q CB -0.515 27.825 28.738 -0.662 0.000 0.902 192 Q HN 0.384 nan 8.270 nan 0.000 0.421 193 L N 0.859 121.920 121.223 -0.270 0.000 2.056 193 L HA -0.165 4.174 4.340 -0.002 0.000 0.207 193 L C 1.953 178.712 176.870 -0.186 0.000 1.078 193 L CA 0.843 55.527 54.840 -0.260 0.000 0.749 193 L CB -0.493 41.222 42.059 -0.573 0.000 0.901 193 L HN 0.182 nan 8.230 nan 0.000 0.433 194 N N 0.465 119.034 118.700 -0.220 0.000 2.443 194 N HA -0.111 4.628 4.740 -0.002 0.000 0.184 194 N C 1.719 177.208 175.510 -0.033 0.000 1.037 194 N CA 1.266 54.251 53.050 -0.107 0.000 0.896 194 N CB -0.284 38.127 38.487 -0.126 0.000 0.959 194 N HN 0.365 nan 8.380 nan 0.000 0.442 195 G N -0.086 108.682 108.800 -0.053 0.000 2.848 195 G HA2 0.063 4.021 3.960 -0.002 0.000 0.208 195 G HA3 0.063 4.021 3.960 -0.002 0.000 0.208 195 G C 0.473 175.390 174.900 0.028 0.000 1.152 195 G CA -0.028 45.056 45.100 -0.025 0.000 0.789 195 G HN 0.160 nan 8.290 nan 0.000 0.531 196 L N 0.164 121.448 121.223 0.101 0.000 2.309 196 L HA 0.288 4.627 4.340 -0.002 0.000 0.282 196 L C 1.524 178.499 176.870 0.174 0.000 1.036 196 L CA -0.573 54.362 54.840 0.158 0.000 0.806 196 L CB 1.964 44.178 42.059 0.259 0.000 1.220 196 L HN 0.200 nan 8.230 nan 0.000 0.429 197 E N 3.336 123.611 120.200 0.125 0.000 2.097 197 E HA -0.261 4.087 4.350 -0.002 0.000 0.196 197 E C 1.753 178.422 176.600 0.115 0.000 1.000 197 E CA 1.815 58.275 56.400 0.099 0.000 0.804 197 E CB 0.023 29.772 29.700 0.081 0.000 0.740 197 E HN 0.788 nan 8.360 nan 0.000 0.454 198 W N 0.147 121.393 121.300 -0.091 0.000 2.318 198 W HA -0.263 4.395 4.660 -0.002 0.000 0.313 198 W C 1.408 177.766 176.519 -0.268 0.000 1.221 198 W CA 1.364 58.565 57.345 -0.240 0.000 1.266 198 W CB -0.332 28.871 29.460 -0.429 0.000 1.150 198 W HN 0.157 nan 8.180 nan 0.000 0.496 199 F N 1.027 121.004 119.950 0.045 0.000 2.387 199 F HA -0.123 4.403 4.527 -0.002 0.000 0.294 199 F C 2.113 177.850 175.800 -0.105 0.000 1.093 199 F CA 1.442 59.393 58.000 -0.081 0.000 1.420 199 F CB -0.645 38.348 39.000 -0.011 0.000 1.086 199 F HN -0.070 nan 8.300 nan 0.000 0.531 200 N N -1.243 117.523 118.700 0.110 0.000 2.299 200 N HA 0.019 4.758 4.740 -0.002 0.000 0.187 200 N C -0.301 175.200 175.510 -0.016 0.000 1.099 200 N CA 0.420 53.493 53.050 0.039 0.000 0.867 200 N CB -0.235 38.275 38.487 0.039 0.000 0.974 200 N HN -0.112 nan 8.380 nan 0.000 0.477 201 T N 1.718 116.241 114.554 -0.052 0.000 2.893 201 T HA 0.488 4.837 4.350 -0.002 0.000 0.293 201 T C -2.879 171.732 174.700 -0.147 0.000 1.027 201 T CA -1.274 60.781 62.100 -0.074 0.000 0.988 201 T CB 2.730 71.570 68.868 -0.047 0.000 1.043 201 T HN 0.008 nan 8.240 nan 0.000 0.461 202 P HA 0.500 nan 4.420 nan 0.000 0.277 202 P C -0.535 176.655 177.300 -0.184 0.000 1.271 202 P CA -0.587 62.405 63.100 -0.180 0.000 0.795 202 P CB 0.418 32.045 31.700 -0.122 0.000 1.101 203 A N 1.172 123.867 122.820 -0.209 0.000 2.429 203 A HA 0.165 4.484 4.320 -0.002 0.000 0.242 203 A C 0.386 177.920 177.584 -0.083 0.000 1.088 203 A CA 0.243 52.189 52.037 -0.152 0.000 0.784 203 A CB -0.351 18.563 19.000 -0.143 0.000 1.038 203 A HN 0.465 nan 8.150 nan 0.000 0.501 204 K N 0.018 120.388 120.400 -0.049 0.000 2.156 204 K HA 0.409 4.727 4.320 -0.002 0.000 0.250 204 K C -0.782 175.806 176.600 -0.020 0.000 0.955 204 K CA -0.927 55.342 56.287 -0.030 0.000 0.855 204 K CB 1.673 34.162 32.500 -0.017 0.000 1.101 204 K HN 0.541 nan 8.250 nan 0.000 0.434 205 L N 1.636 122.849 121.223 -0.016 0.000 2.601 205 L HA 0.022 4.361 4.340 -0.002 0.000 0.277 205 L C 1.017 177.885 176.870 -0.005 0.000 1.219 205 L CA 2.010 56.844 54.840 -0.010 0.000 0.915 205 L CB -0.236 41.818 42.059 -0.009 0.000 1.160 205 L HN 0.997 nan 8.230 nan 0.000 0.494 206 G N 2.421 111.221 108.800 -0.001 0.000 2.232 206 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.226 206 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.226 206 G C 0.224 175.128 174.900 0.006 0.000 0.996 206 G CA 0.058 45.159 45.100 0.001 0.000 0.626 206 G HN 0.664 nan 8.290 nan 0.000 0.509 207 D N 2.446 122.852 120.400 0.009 0.000 2.419 207 D HA 0.417 5.056 4.640 -0.002 0.000 0.236 207 D C -1.917 174.401 176.300 0.030 0.000 1.165 207 D CA -0.535 53.479 54.000 0.023 0.000 0.882 207 D CB 0.436 41.250 40.800 0.023 0.000 1.201 207 D HN 0.163 nan 8.370 nan 0.000 0.443 208 P HA 0.058 nan 4.420 nan 0.000 0.264 208 P C -1.957 175.383 177.300 0.066 0.000 1.193 208 P CA -0.878 62.252 63.100 0.050 0.000 0.763 208 P CB 0.195 31.932 31.700 0.061 0.000 0.810 209 P HA -0.269 nan 4.420 nan 0.000 0.217 209 P C 1.288 178.653 177.300 0.108 0.000 1.151 209 P CA 2.009 65.153 63.100 0.073 0.000 0.849 209 P CB -0.245 31.496 31.700 0.069 0.000 0.787 210 A N -0.311 122.588 122.820 0.131 0.000 1.908 210 A HA -0.261 4.058 4.320 -0.002 0.000 0.218 210 A C 2.251 179.959 177.584 0.207 0.000 1.181 210 A CA 1.790 53.937 52.037 0.184 0.000 0.627 210 A CB -1.205 17.907 19.000 0.186 0.000 0.818 210 A HN 0.181 nan 8.150 nan 0.000 0.445 211 E N -0.499 119.808 120.200 0.179 0.000 2.072 211 E HA -0.121 4.227 4.350 -0.002 0.000 0.191 211 E C 1.903 178.589 176.600 0.144 0.000 0.985 211 E CA 1.029 57.564 56.400 0.225 0.000 0.801 211 E CB -0.231 29.606 29.700 0.229 0.000 0.750 211 E HN 0.699 nan 8.360 nan 0.000 0.452 212 I N 0.721 121.336 120.570 0.074 0.000 2.194 212 I HA -0.316 3.853 4.170 -0.002 0.000 0.246 212 I C 2.709 178.830 176.117 0.007 0.000 1.093 212 I CA 1.163 62.465 61.300 0.003 0.000 1.355 212 I CB -0.263 37.742 38.000 0.009 0.000 1.046 212 I HN 0.050 nan 8.210 nan 0.000 0.413 213 R N 1.680 122.227 120.500 0.078 0.000 2.115 213 R HA -0.124 4.215 4.340 -0.002 0.000 0.226 213 R C 2.308 178.606 176.300 -0.003 0.000 1.100 213 R CA 1.170 57.325 56.100 0.092 0.000 0.980 213 R CB -0.003 30.427 30.300 0.218 0.000 0.875 213 R HN 0.428 nan 8.270 nan 0.000 0.445 214 R N -0.452 120.070 120.500 0.037 0.000 2.334 214 R HA 0.139 4.478 4.340 -0.002 0.000 0.212 214 R C 0.457 176.781 176.300 0.039 0.000 0.897 214 R CA -0.383 55.679 56.100 -0.064 0.000 1.056 214 R CB -0.043 30.360 30.300 0.173 0.000 1.046 214 R HN -0.099 nan 8.270 nan 0.000 0.513 215 R N 1.863 122.330 120.500 -0.056 0.000 2.537 215 R HA 0.111 4.450 4.340 -0.002 0.000 0.280 215 R C -0.644 175.428 176.300 -0.380 0.000 1.058 215 R CA 0.097 55.968 56.100 -0.382 0.000 1.057 215 R CB 0.630 30.472 30.300 -0.763 0.000 0.973 215 R HN 0.153 nan 8.270 nan 0.000 0.438 216 R N 1.662 121.871 120.500 -0.486 0.000 2.668 216 R HA 0.398 4.737 4.340 -0.002 0.000 0.279 216 R C 0.087 176.277 176.300 -0.184 0.000 0.976 216 R CA -0.450 55.508 56.100 -0.237 0.000 0.978 216 R CB 2.057 32.321 30.300 -0.061 0.000 1.133 216 R HN 0.832 nan 8.270 nan 0.000 0.484 217 G N 0.161 108.942 108.800 -0.030 0.000 2.849 217 G HA2 0.094 4.052 3.960 -0.002 0.000 0.174 217 G HA3 0.094 4.052 3.960 -0.002 0.000 0.174 217 G C -0.605 174.354 174.900 0.099 0.000 1.370 217 G CA -0.440 44.663 45.100 0.004 0.000 1.040 217 G HN 0.443 nan 8.290 nan 0.000 0.582 218 E N -0.090 120.123 120.200 0.021 0.000 2.652 218 E HA 0.041 4.390 4.350 -0.002 0.000 0.255 218 E C -0.135 176.427 176.600 -0.063 0.000 0.952 218 E CA 0.204 56.593 56.400 -0.018 0.000 0.947 218 E CB 0.838 30.520 29.700 -0.030 0.000 0.912 218 E HN 0.032 nan 8.360 nan 0.000 0.489 219 V N 4.567 124.386 119.914 -0.158 0.000 2.530 219 V HA 0.151 4.270 4.120 -0.002 0.000 0.282 219 V C 0.792 176.796 176.094 -0.150 0.000 1.048 219 V CA -0.083 62.084 62.300 -0.221 0.000 0.997 219 V CB 1.147 32.714 31.823 -0.427 0.000 0.987 219 V HN 0.781 nan 8.190 nan 0.000 0.477 220 T N 1.028 115.519 114.554 -0.104 0.000 2.888 220 T HA 0.417 4.766 4.350 -0.002 0.000 0.288 220 T C 0.824 175.491 174.700 -0.055 0.000 1.063 220 T CA -0.055 62.004 62.100 -0.069 0.000 1.010 220 T CB 1.679 70.531 68.868 -0.028 0.000 1.214 220 T HN 0.212 nan 8.240 nan 0.000 0.533 221 V N 1.075 120.975 119.914 -0.023 0.000 2.490 221 V HA 0.102 4.221 4.120 -0.002 0.000 0.250 221 V C 2.341 178.505 176.094 0.117 0.000 1.061 221 V CA 2.705 65.026 62.300 0.035 0.000 1.064 221 V CB -1.193 30.660 31.823 0.051 0.000 0.670 221 V HN 1.094 nan 8.190 nan 0.000 0.461 222 G N 0.468 109.314 108.800 0.077 0.000 2.534 222 G HA2 -0.215 3.744 3.960 -0.002 0.000 0.217 222 G HA3 -0.215 3.744 3.960 -0.002 0.000 0.217 222 G C 1.109 176.059 174.900 0.084 0.000 1.128 222 G CA 0.864 46.014 45.100 0.084 0.000 0.784 222 G HN 0.762 nan 8.290 nan 0.000 0.542 223 N N -0.893 117.850 118.700 0.072 0.000 2.181 223 N HA 0.148 4.886 4.740 -0.002 0.000 0.207 223 N C 0.614 176.194 175.510 0.117 0.000 1.182 223 N CA -0.598 52.500 53.050 0.080 0.000 0.893 223 N CB -0.246 38.266 38.487 0.042 0.000 1.032 223 N HN 0.130 nan 8.380 nan 0.000 0.513 224 L N 1.775 123.043 121.223 0.076 0.000 2.601 224 L HA 0.094 4.433 4.340 -0.002 0.000 0.277 224 L C 0.032 177.053 176.870 0.252 0.000 1.219 224 L CA 0.922 55.727 54.840 -0.059 0.000 0.915 224 L CB -0.919 40.952 42.059 -0.314 0.000 1.160 224 L HN 0.408 nan 8.230 nan 0.000 0.494 225 F N 2.195 122.331 119.950 0.310 0.000 3.006 225 F HA -0.336 4.189 4.527 -0.002 0.000 0.289 225 F C 1.158 177.271 175.800 0.521 0.000 0.772 225 F CA 0.228 58.475 58.000 0.412 0.000 1.162 225 F CB -1.083 38.182 39.000 0.442 0.000 1.382 225 F HN 0.606 nan 8.300 nan 0.000 0.406 226 R N 0.595 121.408 120.500 0.523 0.000 2.607 226 R HA 0.619 4.957 4.340 -0.002 0.000 0.261 226 R C 0.870 177.345 176.300 0.291 0.000 1.051 226 R CA 0.040 56.302 56.100 0.269 0.000 1.110 226 R CB 0.758 31.112 30.300 0.091 0.000 1.158 226 R HN 0.086 nan 8.270 nan 0.000 0.543 227 G N 0.018 108.919 108.800 0.168 0.000 2.531 227 G HA2 0.393 4.351 3.960 -0.002 0.000 0.281 227 G HA3 0.393 4.351 3.960 -0.002 0.000 0.281 227 G C 0.607 175.620 174.900 0.189 0.000 1.382 227 G CA -0.606 44.632 45.100 0.230 0.000 1.045 227 G HN 0.692 nan 8.290 nan 0.000 0.533 228 I N -2.388 118.283 120.570 0.169 0.000 4.102 228 I HA 0.433 4.602 4.170 -0.002 0.000 0.325 228 I C -0.187 175.975 176.117 0.074 0.000 1.471 228 I CA -0.399 60.962 61.300 0.101 0.000 1.133 228 I CB 0.018 38.056 38.000 0.062 0.000 1.184 228 I HN 0.007 nan 8.210 nan 0.000 0.451 229 L N 4.111 125.368 121.223 0.056 0.000 2.426 229 L HA 0.339 4.678 4.340 -0.002 0.000 0.271 229 L C -1.922 174.988 176.870 0.066 0.000 1.169 229 L CA -1.604 53.261 54.840 0.041 0.000 0.836 229 L CB -0.037 41.963 42.059 -0.097 0.000 1.112 229 L HN -0.031 nan 8.230 nan 0.000 0.465 230 P HA 0.035 nan 4.420 nan 0.000 0.263 230 P C 0.715 178.059 177.300 0.074 0.000 1.195 230 P CA 0.693 63.850 63.100 0.095 0.000 0.762 230 P CB 0.990 32.764 31.700 0.124 0.000 0.799 231 G N 2.661 111.482 108.800 0.036 0.000 2.278 231 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.210 231 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.210 231 G C 1.368 176.238 174.900 -0.051 0.000 1.000 231 G CA 0.287 45.389 45.100 0.005 0.000 0.635 231 G HN 0.434 nan 8.290 nan 0.000 0.495 232 S N 0.386 116.056 115.700 -0.050 0.000 2.428 232 S HA 0.078 4.547 4.470 -0.002 0.000 0.230 232 S C 1.605 176.124 174.600 -0.134 0.000 1.014 232 S CA 1.448 59.582 58.200 -0.110 0.000 0.957 232 S CB -0.056 63.090 63.200 -0.090 0.000 0.784 232 S HN 0.631 nan 8.310 nan 0.000 0.499 233 E N 0.666 120.822 120.200 -0.073 0.000 2.479 233 E HA 0.109 4.458 4.350 -0.002 0.000 0.193 233 E C -0.708 175.851 176.600 -0.068 0.000 1.049 233 E CA -0.037 56.329 56.400 -0.056 0.000 0.870 233 E CB 0.545 30.240 29.700 -0.008 0.000 0.944 233 E HN 0.158 nan 8.360 nan 0.000 0.492 234 V N 0.800 120.647 119.914 -0.111 0.000 2.459 234 V HA 0.566 4.684 4.120 -0.002 0.000 0.295 234 V C 0.630 176.497 176.094 -0.378 0.000 1.029 234 V CA -0.052 62.158 62.300 -0.149 0.000 0.874 234 V CB 0.945 32.723 31.823 -0.076 0.000 0.985 234 V HN 0.440 nan 8.190 nan 0.000 0.438 235 G N 6.784 115.234 108.800 -0.584 0.000 2.693 235 G HA2 -0.111 3.848 3.960 -0.002 0.000 0.226 235 G HA3 -0.111 3.848 3.960 -0.002 0.000 0.226 235 G C -2.689 171.955 174.900 -0.426 0.000 1.354 235 G CA -0.437 44.092 45.100 -0.952 0.000 0.873 235 G HN 0.713 nan 8.290 nan 0.000 0.562 236 P HA 0.219 nan 4.420 nan 0.000 0.272 236 P C 0.450 177.642 177.300 -0.181 0.000 1.240 236 P CA -0.077 62.916 63.100 -0.179 0.000 0.791 236 P CB 0.452 32.075 31.700 -0.127 0.000 0.978 237 Y N 1.018 121.161 120.300 -0.262 0.000 2.145 237 Y HA -0.038 4.511 4.550 -0.002 0.000 0.286 237 Y C 0.945 176.638 175.900 -0.344 0.000 1.145 237 Y CA 1.247 59.162 58.100 -0.309 0.000 1.148 237 Y CB -0.042 38.157 38.460 -0.434 0.000 0.981 237 Y HN 0.102 nan 8.280 nan 0.000 0.507 238 L N 0.798 121.929 121.223 -0.154 0.000 2.292 238 L HA 0.172 4.510 4.340 -0.002 0.000 0.284 238 L C 0.565 177.311 176.870 -0.207 0.000 1.065 238 L CA -0.537 54.178 54.840 -0.207 0.000 0.806 238 L CB 1.177 43.090 42.059 -0.244 0.000 1.175 238 L HN 0.009 nan 8.230 nan 0.000 0.431 239 S N 1.816 117.391 115.700 -0.207 0.000 2.558 239 S HA -0.028 4.441 4.470 -0.002 0.000 0.288 239 S C 1.146 175.605 174.600 -0.235 0.000 1.318 239 S CA -0.482 57.593 58.200 -0.208 0.000 1.056 239 S CB 0.820 63.946 63.200 -0.124 0.000 0.853 239 S HN 0.626 nan 8.310 nan 0.000 0.505 240 Q N 3.166 122.751 119.800 -0.358 0.000 2.197 240 Q HA -0.178 4.161 4.340 -0.002 0.000 0.207 240 Q C 1.300 177.133 176.000 -0.279 0.000 0.984 240 Q CA 2.012 57.606 55.803 -0.347 0.000 0.869 240 Q CB -0.482 27.966 28.738 -0.483 0.000 0.906 240 Q HN 0.959 nan 8.270 nan 0.000 0.426 241 Y N -0.834 119.441 120.300 -0.041 0.000 2.578 241 Y HA 0.066 4.614 4.550 -0.002 0.000 0.297 241 Y C 1.945 177.797 175.900 -0.079 0.000 1.176 241 Y CA -0.021 58.049 58.100 -0.050 0.000 1.315 241 Y CB 0.185 38.615 38.460 -0.049 0.000 1.031 241 Y HN 0.055 nan 8.280 nan 0.000 0.524 242 I N 0.166 120.722 120.570 -0.024 0.000 4.018 242 I HA 0.033 4.202 4.170 -0.002 0.000 0.337 242 I C 1.201 177.286 176.117 -0.054 0.000 1.327 242 I CA 0.323 61.557 61.300 -0.109 0.000 1.100 242 I CB 0.364 38.173 38.000 -0.318 0.000 1.025 242 I HN 0.237 nan 8.210 nan 0.000 0.396 243 I N -2.017 118.539 120.570 -0.024 0.000 4.530 243 I HA 0.228 4.397 4.170 -0.002 0.000 0.318 243 I C 0.545 176.666 176.117 0.006 0.000 1.257 243 I CA -0.198 61.104 61.300 0.003 0.000 1.301 243 I CB 0.138 38.141 38.000 0.005 0.000 1.297 243 I HN -0.165 nan 8.210 nan 0.000 0.451 244 V N 1.446 121.364 119.914 0.007 0.000 2.686 244 V HA 0.832 4.951 4.120 -0.002 0.000 0.295 244 V C 0.869 176.947 176.094 -0.026 0.000 1.057 244 V CA 0.030 62.316 62.300 -0.022 0.000 1.012 244 V CB 0.594 32.436 31.823 0.032 0.000 1.006 244 V HN 0.219 nan 8.190 nan 0.000 0.477 245 G N 3.002 111.745 108.800 -0.095 0.000 2.504 245 G HA2 0.599 4.558 3.960 -0.002 0.000 0.257 245 G HA3 0.599 4.558 3.960 -0.002 0.000 0.257 245 G C 0.044 174.879 174.900 -0.110 0.000 1.451 245 G CA 0.023 45.066 45.100 -0.095 0.000 1.059 245 G HN 1.642 nan 8.290 nan 0.000 0.550 246 S N -1.904 113.724 115.700 -0.121 0.000 2.704 246 S HA 0.547 5.016 4.470 -0.002 0.000 0.296 246 S C -0.359 174.156 174.600 -0.142 0.000 1.138 246 S CA -0.736 57.407 58.200 -0.096 0.000 0.875 246 S CB 1.750 64.936 63.200 -0.024 0.000 1.151 246 S HN 0.726 nan 8.310 nan 0.000 0.500 247 K N 0.615 120.961 120.400 -0.090 0.000 2.527 247 K HA 0.066 4.384 4.320 -0.002 0.000 0.278 247 K C -0.350 176.225 176.600 -0.042 0.000 0.981 247 K CA 0.404 56.652 56.287 -0.065 0.000 1.009 247 K CB 0.243 32.736 32.500 -0.012 0.000 0.895 247 K HN 0.555 nan 8.250 nan 0.000 0.493 248 Q N 2.817 122.596 119.800 -0.035 0.000 2.297 248 Q HA 0.300 4.639 4.340 -0.002 0.000 0.268 248 Q C -0.062 175.940 176.000 0.003 0.000 1.045 248 Q CA -1.026 54.767 55.803 -0.016 0.000 0.861 248 Q CB 1.263 29.986 28.738 -0.025 0.000 1.344 248 Q HN 0.547 nan 8.270 nan 0.000 0.452 249 I N 1.107 121.682 120.570 0.009 0.000 2.845 249 I HA -0.029 4.140 4.170 -0.002 0.000 0.296 249 I C 1.469 177.592 176.117 0.011 0.000 1.216 249 I CA 1.682 62.989 61.300 0.012 0.000 1.438 249 I CB -0.637 37.370 38.000 0.011 0.000 1.342 249 I HN 1.006 nan 8.210 nan 0.000 0.577 250 G N 4.744 113.551 108.800 0.012 0.000 2.234 250 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.235 250 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.235 250 G C 0.440 175.350 174.900 0.017 0.000 0.997 250 G CA 0.026 45.134 45.100 0.013 0.000 0.623 250 G HN 0.562 nan 8.290 nan 0.000 0.514 251 S N 1.202 116.914 115.700 0.019 0.000 2.439 251 S HA 0.777 5.246 4.470 -0.002 0.000 0.282 251 S C 0.325 174.940 174.600 0.025 0.000 1.170 251 S CA 0.594 58.808 58.200 0.024 0.000 1.054 251 S CB 1.280 64.495 63.200 0.026 0.000 0.956 251 S HN 1.752 nan 8.310 nan 0.000 0.490 252 A N 3.179 126.015 122.820 0.025 0.000 2.608 252 A HA 0.707 5.026 4.320 -0.002 0.000 0.292 252 A C -0.727 176.871 177.584 0.024 0.000 1.066 252 A CA -0.826 51.226 52.037 0.024 0.000 0.676 252 A CB 1.222 20.235 19.000 0.020 0.000 1.277 252 A HN 0.488 nan 8.150 nan 0.000 0.413 253 T N 1.422 115.990 114.554 0.024 0.000 2.772 253 T HA 0.551 4.900 4.350 -0.002 0.000 0.288 253 T C -0.806 173.905 174.700 0.019 0.000 0.994 253 T CA -0.247 61.866 62.100 0.022 0.000 0.951 253 T CB 0.905 69.788 68.868 0.024 0.000 0.933 253 T HN 0.751 nan 8.240 nan 0.000 0.447 254 V N 3.831 123.755 119.914 0.016 0.000 2.304 254 V HA 0.645 4.763 4.120 -0.002 0.000 0.278 254 V C 1.170 177.272 176.094 0.013 0.000 1.018 254 V CA -0.100 62.208 62.300 0.014 0.000 0.814 254 V CB 0.273 32.103 31.823 0.011 0.000 1.021 254 V HN 1.189 nan 8.190 nan 0.000 0.440 255 G N 5.791 114.599 108.800 0.013 0.000 2.629 255 G HA2 -0.401 3.558 3.960 -0.002 0.000 0.313 255 G HA3 -0.401 3.558 3.960 -0.002 0.000 0.313 255 G C 0.715 175.623 174.900 0.013 0.000 1.217 255 G CA 1.015 46.123 45.100 0.012 0.000 0.994 255 G HN 1.099 nan 8.290 nan 0.000 0.549 256 N N 1.065 119.772 118.700 0.012 0.000 2.336 256 N HA 0.132 4.871 4.740 -0.002 0.000 0.189 256 N C 0.571 176.089 175.510 0.014 0.000 1.113 256 N CA 1.318 54.375 53.050 0.013 0.000 0.858 256 N CB 0.376 38.869 38.487 0.011 0.000 0.970 256 N HN 0.853 nan 8.380 nan 0.000 0.471 257 K N 0.271 120.680 120.400 0.014 0.000 2.206 257 K HA 0.310 4.629 4.320 -0.002 0.000 0.264 257 K C -1.053 175.558 176.600 0.018 0.000 0.967 257 K CA -0.434 55.862 56.287 0.015 0.000 0.844 257 K CB 0.921 33.428 32.500 0.013 0.000 1.099 257 K HN -0.085 nan 8.250 nan 0.000 0.441 258 T N 5.190 119.756 114.554 0.020 0.000 2.743 258 T HA 0.350 4.699 4.350 -0.002 0.000 0.292 258 T C -0.669 174.045 174.700 0.023 0.000 0.972 258 T CA -0.639 61.475 62.100 0.023 0.000 0.967 258 T CB 0.404 69.288 68.868 0.026 0.000 0.926 258 T HN 0.326 nan 8.240 nan 0.000 0.459 259 L N 3.599 124.835 121.223 0.023 0.000 2.322 259 L HA 0.631 4.970 4.340 -0.002 0.000 0.279 259 L C -0.112 176.774 176.870 0.027 0.000 1.036 259 L CA -0.690 54.164 54.840 0.022 0.000 0.807 259 L CB 1.471 43.541 42.059 0.019 0.000 1.226 259 L HN 0.340 nan 8.230 nan 0.000 0.433 260 V N 1.008 120.939 119.914 0.028 0.000 2.417 260 V HA 0.416 4.535 4.120 -0.002 0.000 0.291 260 V C 0.253 176.364 176.094 0.029 0.000 1.024 260 V CA -0.690 61.630 62.300 0.033 0.000 0.861 260 V CB 1.689 33.535 31.823 0.038 0.000 0.985 260 V HN 0.823 nan 8.190 nan 0.000 0.436 261 S N 5.519 121.236 115.700 0.028 0.000 2.562 261 S HA 0.221 4.690 4.470 -0.002 0.000 0.281 261 S C -1.307 173.307 174.600 0.024 0.000 1.333 261 S CA -0.797 57.416 58.200 0.022 0.000 1.052 261 S CB 1.044 64.253 63.200 0.015 0.000 0.884 261 S HN 0.654 nan 8.310 nan 0.000 0.506 262 P HA 0.040 nan 4.420 nan 0.000 0.230 262 P C 0.106 177.419 177.300 0.021 0.000 1.158 262 P CA 0.751 63.864 63.100 0.021 0.000 0.769 262 P CB 0.044 31.754 31.700 0.016 0.000 0.807 263 N N -0.941 117.769 118.700 0.017 0.000 2.238 263 N HA 0.175 4.913 4.740 -0.002 0.000 0.222 263 N C 1.227 176.741 175.510 0.007 0.000 1.133 263 N CA 0.117 53.174 53.050 0.012 0.000 0.854 263 N CB 0.273 38.763 38.487 0.005 0.000 1.041 263 N HN 0.025 nan 8.380 nan 0.000 0.510 264 A N 1.290 124.123 122.820 0.021 0.000 1.948 264 A HA -0.120 4.199 4.320 -0.002 0.000 0.220 264 A C 2.335 179.933 177.584 0.024 0.000 1.177 264 A CA 1.898 53.949 52.037 0.023 0.000 0.636 264 A CB -0.434 18.607 19.000 0.068 0.000 0.815 264 A HN 0.317 nan 8.150 nan 0.000 0.449 265 A N -0.089 122.775 122.820 0.073 0.000 2.070 265 A HA -0.146 4.173 4.320 -0.002 0.000 0.220 265 A C 1.583 179.185 177.584 0.029 0.000 1.159 265 A CA 1.716 53.828 52.037 0.124 0.000 0.656 265 A CB -0.552 18.513 19.000 0.108 0.000 0.800 265 A HN 0.480 nan 8.150 nan 0.000 0.453 266 D N -0.179 120.205 120.400 -0.027 0.000 2.190 266 D HA -0.199 4.439 4.640 -0.002 0.000 0.200 266 D C 1.712 177.917 176.300 -0.158 0.000 0.992 266 D CA 1.443 55.407 54.000 -0.060 0.000 0.854 266 D CB -0.377 40.399 40.800 -0.041 0.000 0.936 266 D HN 0.766 nan 8.370 nan 0.000 0.462 267 E N -0.333 119.679 120.200 -0.313 0.000 2.086 267 E HA -0.212 4.137 4.350 -0.002 0.000 0.200 267 E C 1.023 177.227 176.600 -0.660 0.000 1.012 267 E CA 1.115 57.156 56.400 -0.600 0.000 0.812 267 E CB -0.180 28.892 29.700 -1.047 0.000 0.743 267 E HN 0.338 nan 8.360 nan 0.000 0.453 268 F N -0.649 119.222 119.950 -0.132 0.000 2.660 268 F HA 0.184 4.710 4.527 -0.002 0.000 0.302 268 F C 0.888 176.575 175.800 -0.188 0.000 1.103 268 F CA -0.140 57.706 58.000 -0.257 0.000 1.340 268 F CB 0.566 39.407 39.000 -0.265 0.000 1.048 268 F HN -0.041 nan 8.300 nan 0.000 0.551 269 D N -0.305 120.072 120.400 -0.037 0.000 2.599 269 D HA 0.229 4.868 4.640 -0.002 0.000 0.249 269 D C 1.321 177.608 176.300 -0.023 0.000 1.313 269 D CA 0.504 54.497 54.000 -0.012 0.000 0.815 269 D CB 0.227 41.033 40.800 0.010 0.000 1.077 269 D HN 0.183 nan 8.370 nan 0.000 0.492 270 G N 0.982 109.752 108.800 -0.050 0.000 2.137 270 G HA2 -0.219 3.740 3.960 -0.002 0.000 0.237 270 G HA3 -0.219 3.740 3.960 -0.002 0.000 0.237 270 G C -0.261 174.631 174.900 -0.013 0.000 1.002 270 G CA -0.206 44.881 45.100 -0.022 0.000 0.702 270 G HN 0.268 nan 8.290 nan 0.000 0.515 271 E N 0.322 120.500 120.200 -0.037 0.000 2.092 271 E HA 0.447 4.796 4.350 -0.002 0.000 0.271 271 E C 0.603 177.189 176.600 -0.022 0.000 0.919 271 E CA -0.600 55.789 56.400 -0.017 0.000 0.760 271 E CB 1.108 30.799 29.700 -0.016 0.000 1.106 271 E HN 0.464 nan 8.360 nan 0.000 0.408 272 I N 2.030 122.604 120.570 0.006 0.000 2.396 272 I HA 0.117 4.286 4.170 -0.002 0.000 0.289 272 I C 0.782 176.932 176.117 0.055 0.000 1.056 272 I CA -0.496 60.814 61.300 0.016 0.000 1.365 272 I CB 0.852 38.860 38.000 0.013 0.000 1.407 272 I HN 0.396 nan 8.210 nan 0.000 0.509 273 A N 7.552 130.402 122.820 0.051 0.000 2.545 273 A HA -0.018 4.301 4.320 -0.002 0.000 0.253 273 A C -0.519 177.170 177.584 0.174 0.000 1.074 273 A CA 0.384 52.472 52.037 0.085 0.000 0.760 273 A CB -0.376 18.654 19.000 0.051 0.000 1.005 273 A HN 0.779 nan 8.150 nan 0.000 0.506 274 Y N 3.939 124.250 120.300 0.018 0.000 2.749 274 Y HA 0.459 5.008 4.550 -0.002 0.000 0.343 274 Y C 1.066 176.983 175.900 0.028 0.000 1.015 274 Y CA -0.052 58.064 58.100 0.027 0.000 1.270 274 Y CB 0.128 38.604 38.460 0.027 0.000 1.097 274 Y HN 1.347 nan 8.280 nan 0.000 0.571 275 G N 2.326 111.168 108.800 0.069 0.000 2.634 275 G HA2 -0.388 3.571 3.960 -0.002 0.000 0.318 275 G HA3 -0.388 3.571 3.960 -0.002 0.000 0.318 275 G C 0.799 175.690 174.900 -0.014 0.000 1.207 275 G CA 0.682 45.768 45.100 -0.024 0.000 0.987 275 G HN 0.559 nan 8.290 nan 0.000 0.547 276 S N 0.867 116.535 115.700 -0.054 0.000 2.540 276 S HA 0.439 4.908 4.470 -0.002 0.000 0.218 276 S C 1.215 175.800 174.600 -0.026 0.000 0.977 276 S CA 0.579 58.761 58.200 -0.029 0.000 0.918 276 S CB -0.284 62.897 63.200 -0.032 0.000 0.806 276 S HN 0.775 nan 8.310 nan 0.000 0.496 277 I N -0.622 119.924 120.570 -0.041 0.000 3.861 277 I HA 0.725 4.894 4.170 -0.002 0.000 0.262 277 I C -0.115 176.046 176.117 0.073 0.000 1.269 277 I CA -0.936 60.362 61.300 -0.003 0.000 1.140 277 I CB 1.301 39.281 38.000 -0.032 0.000 1.424 277 I HN 0.015 nan 8.210 nan 0.000 0.527 278 T N -0.950 113.672 114.554 0.113 0.000 2.883 278 T HA 0.703 5.052 4.350 -0.002 0.000 0.296 278 T C -0.745 174.063 174.700 0.179 0.000 1.117 278 T CA -0.631 61.555 62.100 0.142 0.000 1.006 278 T CB 1.960 70.871 68.868 0.071 0.000 1.191 278 T HN 0.518 nan 8.240 nan 0.000 0.508 279 I N 1.631 122.274 120.570 0.122 0.000 2.474 279 I HA 0.498 4.666 4.170 -0.002 0.000 0.294 279 I C 0.170 176.310 176.117 0.040 0.000 1.005 279 I CA -0.777 60.556 61.300 0.054 0.000 1.113 279 I CB 2.137 40.111 38.000 -0.043 0.000 1.289 279 I HN 0.762 nan 8.210 nan 0.000 0.436 280 S N 4.503 120.225 115.700 0.037 0.000 2.480 280 S HA 0.218 4.687 4.470 -0.002 0.000 0.286 280 S C 0.661 175.299 174.600 0.064 0.000 1.180 280 S CA -0.572 57.652 58.200 0.040 0.000 1.075 280 S CB 1.071 64.291 63.200 0.034 0.000 0.996 280 S HN 0.586 nan 8.310 nan 0.000 0.487 281 Q N 2.788 122.635 119.800 0.078 0.000 2.482 281 Q HA 0.089 4.428 4.340 -0.002 0.000 0.209 281 Q C -0.010 176.086 176.000 0.161 0.000 0.961 281 Q CA 0.473 56.355 55.803 0.132 0.000 0.945 281 Q CB 0.068 28.865 28.738 0.099 0.000 1.012 281 Q HN 0.576 nan 8.270 nan 0.000 0.515 282 R N 0.700 121.269 120.500 0.114 0.000 2.267 282 R HA 0.248 4.587 4.340 -0.002 0.000 0.319 282 R C -0.270 176.105 176.300 0.125 0.000 1.067 282 R CA -0.166 56.003 56.100 0.116 0.000 0.936 282 R CB 1.243 31.590 30.300 0.077 0.000 1.006 282 R HN -0.083 nan 8.270 nan 0.000 0.452 283 V N 4.166 124.185 119.914 0.176 0.000 2.743 283 V HA 0.241 4.360 4.120 -0.002 0.000 0.301 283 V C 0.274 176.445 176.094 0.129 0.000 1.057 283 V CA -0.723 61.681 62.300 0.174 0.000 1.006 283 V CB 1.212 33.229 31.823 0.323 0.000 1.024 283 V HN 0.667 nan 8.190 nan 0.000 0.473 284 R N 4.421 124.972 120.500 0.086 0.000 2.784 284 R HA 0.297 4.636 4.340 -0.002 0.000 0.266 284 R C -0.478 175.958 176.300 0.226 0.000 1.044 284 R CA 0.113 56.268 56.100 0.092 0.000 1.151 284 R CB -0.081 30.187 30.300 -0.053 0.000 1.037 284 R HN 0.650 nan 8.270 nan 0.000 0.478 285 I N 1.798 122.528 120.570 0.267 0.000 2.359 285 I HA 0.251 4.420 4.170 -0.002 0.000 0.284 285 I C 0.371 176.688 176.117 0.333 0.000 1.018 285 I CA -0.671 60.784 61.300 0.259 0.000 1.173 285 I CB 1.582 39.680 38.000 0.164 0.000 1.326 285 I HN 0.484 nan 8.210 nan 0.000 0.462 286 A N 4.334 127.307 122.820 0.256 0.000 2.425 286 A HA 0.336 4.655 4.320 -0.002 0.000 0.249 286 A C 0.573 178.141 177.584 -0.028 0.000 1.084 286 A CA -0.177 51.851 52.037 -0.014 0.000 0.781 286 A CB -0.004 19.003 19.000 0.012 0.000 1.019 286 A HN 0.682 nan 8.150 nan 0.000 0.490 287 T N 5.125 119.613 114.554 -0.111 0.000 2.656 287 T HA 0.166 4.515 4.350 -0.002 0.000 0.263 287 T C -2.226 172.441 174.700 -0.055 0.000 1.017 287 T CA 0.276 62.337 62.100 -0.066 0.000 1.216 287 T CB -0.610 68.202 68.868 -0.093 0.000 0.989 287 T HN 0.469 nan 8.240 nan 0.000 0.507 288 P HA 0.208 nan 4.420 nan 0.000 0.265 288 P C 1.145 178.399 177.300 -0.077 0.000 1.193 288 P CA 0.671 63.744 63.100 -0.044 0.000 0.765 288 P CB 0.321 32.002 31.700 -0.031 0.000 0.823 289 G N 2.150 110.894 108.800 -0.094 0.000 2.234 289 G HA2 -0.306 3.653 3.960 -0.002 0.000 0.260 289 G HA3 -0.306 3.653 3.960 -0.002 0.000 0.260 289 G C 0.385 175.187 174.900 -0.163 0.000 0.987 289 G CA -0.012 45.016 45.100 -0.121 0.000 0.625 289 G HN 0.721 nan 8.290 nan 0.000 0.532 290 R N 1.311 121.698 120.500 -0.187 0.000 2.196 290 R HA 0.480 4.819 4.340 -0.002 0.000 0.340 290 R C -0.986 175.040 176.300 -0.456 0.000 1.043 290 R CA -0.406 55.505 56.100 -0.317 0.000 0.883 290 R CB 0.324 30.443 30.300 -0.302 0.000 1.078 290 R HN 0.216 nan 8.270 nan 0.000 0.462 291 D N 3.430 123.511 120.400 -0.532 0.000 2.414 291 D HA 0.382 5.021 4.640 -0.002 0.000 0.241 291 D C -0.621 175.225 176.300 -0.758 0.000 1.008 291 D CA -0.186 53.519 54.000 -0.490 0.000 1.001 291 D CB 1.312 41.973 40.800 -0.231 0.000 1.277 291 D HN 0.275 nan 8.370 nan 0.000 0.538 292 F N -0.738 119.154 119.950 -0.096 0.000 2.611 292 F HA 0.358 4.884 4.527 -0.002 0.000 0.324 292 F C 0.833 176.567 175.800 -0.111 0.000 1.061 292 F CA -0.965 56.974 58.000 -0.101 0.000 0.954 292 F CB 1.141 40.084 39.000 -0.094 0.000 1.301 292 F HN 0.187 nan 8.300 nan 0.000 0.482 293 M N 0.144 119.781 119.600 0.062 0.000 2.537 293 M HA -0.191 4.288 4.480 -0.002 0.000 0.205 293 M C 0.517 176.836 176.300 0.032 0.000 0.450 293 M CA 0.896 56.224 55.300 0.045 0.000 0.553 293 M CB -1.702 30.957 32.600 0.098 0.000 2.046 293 M HN 0.769 nan 8.290 nan 0.000 0.797 294 T N -4.654 109.886 114.554 -0.024 0.000 3.069 294 T HA 0.248 4.597 4.350 -0.002 0.000 0.252 294 T C 0.064 174.728 174.700 -0.059 0.000 1.053 294 T CA 0.412 62.477 62.100 -0.059 0.000 0.964 294 T CB 0.244 69.061 68.868 -0.084 0.000 1.005 294 T HN 0.525 nan 8.240 nan 0.000 0.532 295 D N 0.367 120.752 120.400 -0.024 0.000 2.308 295 D HA 0.389 5.028 4.640 -0.002 0.000 0.242 295 D C 1.058 177.386 176.300 0.047 0.000 1.059 295 D CA -0.832 53.164 54.000 -0.008 0.000 0.830 295 D CB 1.421 42.220 40.800 -0.002 0.000 1.161 295 D HN -0.078 nan 8.370 nan 0.000 0.494 296 L N 4.624 125.869 121.223 0.036 0.000 2.013 296 L HA -0.165 4.174 4.340 -0.002 0.000 0.212 296 L C 1.841 178.826 176.870 0.192 0.000 1.073 296 L CA 1.906 56.808 54.840 0.104 0.000 0.753 296 L CB -0.343 41.751 42.059 0.059 0.000 0.890 296 L HN 0.507 nan 8.230 nan 0.000 0.432 297 K N -1.309 119.167 120.400 0.127 0.000 2.057 297 K HA -0.138 4.181 4.320 -0.002 0.000 0.207 297 K C 1.917 178.592 176.600 0.125 0.000 1.049 297 K CA 1.665 58.031 56.287 0.130 0.000 0.931 297 K CB -0.360 32.202 32.500 0.104 0.000 0.714 297 K HN 0.279 nan 8.250 nan 0.000 0.440 298 V N 1.236 121.204 119.914 0.089 0.000 2.343 298 V HA -0.245 3.873 4.120 -0.002 0.000 0.247 298 V C 2.005 178.110 176.094 0.019 0.000 1.051 298 V CA 1.743 64.058 62.300 0.024 0.000 1.036 298 V CB -0.575 31.209 31.823 -0.066 0.000 0.654 298 V HN 0.243 nan 8.190 nan 0.000 0.451 299 F N 0.697 120.608 119.950 -0.065 0.000 2.095 299 F HA -0.208 4.318 4.527 -0.002 0.000 0.298 299 F C 2.024 177.800 175.800 -0.041 0.000 1.104 299 F CA 1.834 59.794 58.000 -0.067 0.000 1.232 299 F CB -0.293 38.675 39.000 -0.053 0.000 0.987 299 F HN 0.037 nan 8.300 nan 0.000 0.475 300 L N 0.097 121.336 121.223 0.026 0.000 2.093 300 L HA -0.199 4.140 4.340 -0.002 0.000 0.208 300 L C 2.134 178.990 176.870 -0.024 0.000 1.085 300 L CA 1.269 56.071 54.840 -0.064 0.000 0.755 300 L CB -0.844 41.299 42.059 0.140 0.000 0.904 300 L HN 0.113 nan 8.230 nan 0.000 0.435 301 D N -0.331 120.103 120.400 0.057 0.000 2.144 301 D HA -0.141 4.498 4.640 -0.002 0.000 0.199 301 D C 2.362 178.636 176.300 -0.043 0.000 0.984 301 D CA 1.061 55.126 54.000 0.109 0.000 0.834 301 D CB -0.145 40.663 40.800 0.013 0.000 0.955 301 D HN 0.116 nan 8.370 nan 0.000 0.465 302 V N 1.417 121.266 119.914 -0.108 0.000 2.343 302 V HA -0.217 3.901 4.120 -0.002 0.000 0.247 302 V C 2.376 178.400 176.094 -0.118 0.000 1.051 302 V CA 1.405 63.643 62.300 -0.103 0.000 1.036 302 V CB -0.349 31.381 31.823 -0.154 0.000 0.654 302 V HN 0.154 nan 8.190 nan 0.000 0.451 303 Q N -0.428 119.187 119.800 -0.308 0.000 2.291 303 Q HA -0.120 4.219 4.340 -0.002 0.000 0.205 303 Q C 1.253 177.246 176.000 -0.011 0.000 0.970 303 Q CA 0.961 56.544 55.803 -0.367 0.000 0.876 303 Q CB -0.365 27.889 28.738 -0.807 0.000 0.935 303 Q HN 0.619 nan 8.270 nan 0.000 0.455 304 D N -0.477 120.013 120.400 0.150 0.000 2.358 304 D HA 0.308 4.946 4.640 -0.002 0.000 0.224 304 D C 0.228 176.753 176.300 0.375 0.000 1.123 304 D CA 0.412 54.607 54.000 0.325 0.000 0.833 304 D CB 0.465 41.499 40.800 0.390 0.000 0.946 304 D HN 0.131 nan 8.370 nan 0.000 0.505 305 A N -0.344 122.655 122.820 0.299 0.000 3.335 305 A HA -0.096 4.223 4.320 -0.002 0.000 0.228 305 A C 0.900 178.504 177.584 0.034 0.000 1.322 305 A CA 0.425 52.605 52.037 0.239 0.000 1.050 305 A CB -1.995 17.076 19.000 0.119 0.000 1.126 305 A HN 0.415 nan 8.150 nan 0.000 0.793 306 A N 0.466 123.184 122.820 -0.170 0.000 2.491 306 A HA 0.455 4.774 4.320 -0.002 0.000 0.261 306 A C 0.301 177.672 177.584 -0.356 0.000 1.101 306 A CA 0.731 52.362 52.037 -0.677 0.000 0.772 306 A CB 0.021 18.256 19.000 -1.276 0.000 1.043 306 A HN 0.675 nan 8.150 nan 0.000 0.501 307 D N 2.829 123.000 120.400 -0.382 0.000 2.483 307 D HA 0.219 4.858 4.640 -0.002 0.000 0.220 307 D C -0.146 175.968 176.300 -0.310 0.000 1.173 307 D CA -0.087 53.760 54.000 -0.256 0.000 0.964 307 D CB -0.461 40.211 40.800 -0.212 0.000 1.046 307 D HN 0.421 nan 8.370 nan 0.000 0.517 308 F N 1.604 121.432 119.950 -0.203 0.000 2.773 308 F HA 0.175 4.701 4.527 -0.002 0.000 0.304 308 F C 1.381 177.145 175.800 -0.060 0.000 1.129 308 F CA -0.225 57.660 58.000 -0.191 0.000 1.378 308 F CB 0.101 38.969 39.000 -0.221 0.000 1.095 308 F HN -0.035 nan 8.300 nan 0.000 0.565 309 R N 0.335 120.889 120.500 0.090 0.000 2.504 309 R HA 0.189 4.528 4.340 -0.002 0.000 0.291 309 R C 1.298 177.675 176.300 0.130 0.000 0.974 309 R CA 1.059 57.225 56.100 0.110 0.000 1.077 309 R CB -0.271 30.067 30.300 0.063 0.000 0.926 309 R HN 0.426 nan 8.270 nan 0.000 0.407 310 G N 2.527 111.437 108.800 0.184 0.000 2.157 310 G HA2 -0.300 3.659 3.960 -0.002 0.000 0.239 310 G HA3 -0.300 3.659 3.960 -0.002 0.000 0.239 310 G C 0.251 175.299 174.900 0.247 0.000 0.982 310 G CA -0.069 45.140 45.100 0.181 0.000 0.650 310 G HN 0.629 nan 8.290 nan 0.000 0.527 311 F N 1.487 121.492 119.950 0.092 0.000 2.789 311 F HA 0.419 4.945 4.527 -0.002 0.000 0.300 311 F C 1.279 177.145 175.800 0.111 0.000 1.132 311 F CA 0.213 58.279 58.000 0.109 0.000 1.404 311 F CB 0.226 39.337 39.000 0.185 0.000 1.114 311 F HN 0.245 nan 8.300 nan 0.000 0.584 312 E N 0.284 120.526 120.200 0.071 0.000 2.418 312 E HA 0.170 4.519 4.350 -0.002 0.000 0.261 312 E C 0.355 176.904 176.600 -0.086 0.000 1.070 312 E CA 0.162 56.555 56.400 -0.011 0.000 0.931 312 E CB 0.465 30.142 29.700 -0.037 0.000 0.954 312 E HN 0.231 nan 8.360 nan 0.000 0.439 313 S N 0.913 116.494 115.700 -0.198 0.000 2.681 313 S HA 0.707 5.176 4.470 -0.002 0.000 0.299 313 S C -1.114 173.227 174.600 -0.432 0.000 1.113 313 S CA -0.791 57.311 58.200 -0.164 0.000 1.013 313 S CB 0.689 63.831 63.200 -0.097 0.000 1.076 313 S HN 0.394 nan 8.310 nan 0.000 0.534 314 Y N -0.608 119.713 120.300 0.036 0.000 2.504 314 Y HA 0.466 5.015 4.550 -0.002 0.000 0.344 314 Y C 0.015 175.929 175.900 0.025 0.000 1.023 314 Y CA -1.058 57.068 58.100 0.044 0.000 1.020 314 Y CB 1.243 39.728 38.460 0.041 0.000 1.282 314 Y HN 0.576 nan 8.280 nan 0.000 0.454 315 E N 2.542 122.840 120.200 0.163 0.000 2.408 315 E HA 0.230 4.579 4.350 -0.002 0.000 0.259 315 E C -2.383 174.283 176.600 0.109 0.000 1.110 315 E CA -1.860 54.602 56.400 0.104 0.000 0.929 315 E CB 0.070 29.819 29.700 0.081 0.000 0.971 315 E HN 0.327 nan 8.360 nan 0.000 0.438 316 P HA 0.299 nan 4.420 nan 0.000 0.274 316 P C 0.245 177.573 177.300 0.047 0.000 1.231 316 P CA 0.265 63.395 63.100 0.048 0.000 0.790 316 P CB 0.647 32.366 31.700 0.032 0.000 0.951 317 G N 0.107 108.926 108.800 0.031 0.000 2.545 317 G HA2 0.357 4.315 3.960 -0.002 0.000 0.216 317 G HA3 0.357 4.315 3.960 -0.002 0.000 0.216 317 G C -1.127 173.795 174.900 0.038 0.000 1.314 317 G CA -0.191 44.927 45.100 0.030 0.000 0.906 317 G HN 0.835 nan 8.290 nan 0.000 0.563 318 A N -0.570 122.278 122.820 0.047 0.000 2.608 318 A HA 1.032 5.351 4.320 -0.002 0.000 0.292 318 A C -0.357 177.270 177.584 0.071 0.000 1.066 318 A CA 0.602 52.675 52.037 0.060 0.000 0.676 318 A CB 1.581 20.606 19.000 0.042 0.000 1.277 318 A HN 2.267 nan 8.150 nan 0.000 0.413 319 R N 0.790 121.345 120.500 0.093 0.000 2.663 319 R HA 0.654 4.993 4.340 -0.002 0.000 0.267 319 R C -1.510 174.861 176.300 0.117 0.000 1.038 319 R CA -0.946 55.210 56.100 0.094 0.000 0.886 319 R CB 0.632 30.986 30.300 0.092 0.000 1.249 319 R HN 0.541 nan 8.270 nan 0.000 0.463 320 L N 2.388 123.673 121.223 0.104 0.000 2.529 320 L HA 0.091 4.430 4.340 -0.002 0.000 0.287 320 L C 0.667 177.622 176.870 0.142 0.000 1.241 320 L CA -0.009 54.899 54.840 0.114 0.000 0.857 320 L CB 0.064 42.174 42.059 0.086 0.000 1.113 320 L HN 0.507 nan 8.230 nan 0.000 0.504 321 I N 2.973 123.638 120.570 0.159 0.000 2.828 321 I HA -0.142 4.027 4.170 -0.002 0.000 0.292 321 I C 1.293 177.549 176.117 0.231 0.000 1.206 321 I CA 0.787 62.210 61.300 0.205 0.000 1.420 321 I CB 0.169 38.272 38.000 0.172 0.000 1.368 321 I HN 0.665 nan 8.210 nan 0.000 0.556 322 R N 3.422 124.061 120.500 0.232 0.000 2.215 322 R HA 0.113 4.452 4.340 -0.002 0.000 0.190 322 R C 0.488 176.868 176.300 0.133 0.000 0.968 322 R CA 0.633 56.847 56.100 0.189 0.000 1.122 322 R CB 0.520 30.892 30.300 0.120 0.000 1.151 322 R HN 0.795 nan 8.270 nan 0.000 0.582 323 T N -2.440 112.144 114.554 0.051 0.000 2.949 323 T HA 0.330 4.679 4.350 -0.002 0.000 0.287 323 T C 1.426 175.954 174.700 -0.286 0.000 1.034 323 T CA -0.773 61.222 62.100 -0.176 0.000 1.018 323 T CB 1.420 70.233 68.868 -0.092 0.000 1.135 323 T HN 0.011 nan 8.240 nan 0.000 0.532 324 I N 0.254 120.487 120.570 -0.562 0.000 2.145 324 I HA -0.230 3.939 4.170 -0.002 0.000 0.244 324 I C 3.049 179.149 176.117 -0.028 0.000 1.075 324 I CA 1.661 62.766 61.300 -0.325 0.000 1.332 324 I CB -0.354 37.494 38.000 -0.254 0.000 1.033 324 I HN 0.744 nan 8.210 nan 0.000 0.410 325 R N 0.879 121.358 120.500 -0.036 0.000 2.105 325 R HA -0.217 4.121 4.340 -0.002 0.000 0.239 325 R C 1.756 178.139 176.300 0.138 0.000 1.135 325 R CA 1.971 58.092 56.100 0.035 0.000 0.967 325 R CB -0.180 30.128 30.300 0.013 0.000 0.861 325 R HN 0.355 nan 8.270 nan 0.000 0.442 326 D N 0.384 120.883 120.400 0.165 0.000 2.178 326 D HA -0.155 4.484 4.640 -0.002 0.000 0.202 326 D C 1.732 178.232 176.300 0.333 0.000 0.974 326 D CA 0.703 54.854 54.000 0.251 0.000 0.841 326 D CB -0.072 40.875 40.800 0.245 0.000 0.953 326 D HN 0.193 nan 8.370 nan 0.000 0.478 327 L N 0.910 122.332 121.223 0.333 0.000 2.072 327 L HA 0.038 4.377 4.340 -0.002 0.000 0.205 327 L C 2.150 179.217 176.870 0.328 0.000 1.079 327 L CA 1.326 56.368 54.840 0.338 0.000 0.752 327 L CB -0.811 41.459 42.059 0.351 0.000 0.906 327 L HN -0.050 nan 8.230 nan 0.000 0.436 328 A N -1.477 121.495 122.820 0.253 0.000 1.908 328 A HA -0.243 4.075 4.320 -0.002 0.000 0.218 328 A C 2.268 180.094 177.584 0.403 0.000 1.181 328 A CA 2.463 54.646 52.037 0.242 0.000 0.627 328 A CB -1.225 17.813 19.000 0.063 0.000 0.818 328 A HN 0.498 nan 8.150 nan 0.000 0.445 329 T N -2.059 112.729 114.554 0.390 0.000 2.746 329 T HA -0.192 4.157 4.350 -0.002 0.000 0.267 329 T C 1.451 176.369 174.700 0.363 0.000 1.039 329 T CA 1.344 63.691 62.100 0.412 0.000 1.142 329 T CB -0.333 68.779 68.868 0.406 0.000 0.866 329 T HN 0.689 nan 8.240 nan 0.000 0.444 330 W N 1.988 123.416 121.300 0.213 0.000 2.318 330 W HA -0.211 4.448 4.660 -0.002 0.000 0.313 330 W C 2.162 178.770 176.519 0.149 0.000 1.221 330 W CA 1.636 59.083 57.345 0.170 0.000 1.266 330 W CB -0.227 29.319 29.460 0.143 0.000 1.150 330 W HN 0.157 nan 8.180 nan 0.000 0.496 331 V N -2.673 117.536 119.914 0.491 0.000 3.623 331 V HA -0.010 4.109 4.120 -0.002 0.000 0.271 331 V C 1.719 177.873 176.094 0.100 0.000 1.248 331 V CA 1.759 64.254 62.300 0.326 0.000 1.156 331 V CB -1.035 30.910 31.823 0.203 0.000 0.870 331 V HN 0.396 nan 8.190 nan 0.000 0.453 332 H N -0.327 118.632 119.070 -0.185 0.000 2.436 332 H HA 0.097 4.652 4.556 -0.002 0.000 0.294 332 H C 1.319 176.103 175.328 -0.906 0.000 1.048 332 H CA 1.828 57.362 56.048 -0.856 0.000 1.353 332 H CB 0.222 29.132 29.762 -1.420 0.000 1.414 332 H HN 0.585 nan 8.280 nan 0.000 0.536 333 F N 0.488 120.384 119.950 -0.090 0.000 2.856 333 F HA 0.069 4.594 4.527 -0.002 0.000 0.338 333 F C 0.161 175.859 175.800 -0.169 0.000 1.100 333 F CA -0.849 57.038 58.000 -0.189 0.000 1.150 333 F CB 0.589 39.424 39.000 -0.274 0.000 1.101 333 F HN 0.080 nan 8.300 nan 0.000 0.548 334 D N 2.141 122.528 120.400 -0.020 0.000 2.472 334 D HA 0.013 4.652 4.640 -0.002 0.000 0.237 334 D C 0.298 176.554 176.300 -0.074 0.000 1.141 334 D CA 0.064 53.977 54.000 -0.144 0.000 0.875 334 D CB 1.537 42.262 40.800 -0.124 0.000 1.192 334 D HN 0.124 nan 8.370 nan 0.000 0.450 335 A N 3.165 125.894 122.820 -0.152 0.000 3.015 335 A HA 0.378 4.697 4.320 -0.002 0.000 0.293 335 A C 0.951 178.337 177.584 -0.331 0.000 1.572 335 A CA -0.529 51.385 52.037 -0.205 0.000 1.274 335 A CB -0.896 17.980 19.000 -0.206 0.000 1.156 335 A HN 0.655 nan 8.150 nan 0.000 0.562 336 L N 0.596 121.669 121.223 -0.250 0.000 4.838 336 L HA -0.375 3.964 4.340 -0.002 0.000 0.053 336 L C 1.207 178.031 176.870 -0.077 0.000 3.590 336 L CA 3.151 57.825 54.840 -0.276 0.000 1.203 336 L CB -1.309 40.440 42.059 -0.518 0.000 3.194 336 L HN 0.906 nan 8.230 nan 0.000 0.976 337 Y N 0.350 120.738 120.300 0.146 0.000 2.470 337 Y HA 0.421 4.970 4.550 -0.002 0.000 0.284 337 Y C 1.961 177.942 175.900 0.134 0.000 1.188 337 Y CA 0.557 58.823 58.100 0.276 0.000 1.269 337 Y CB -1.088 37.498 38.460 0.211 0.000 1.094 337 Y HN 0.642 nan 8.280 nan 0.000 0.518 338 E N 1.774 122.062 120.200 0.146 0.000 2.068 338 E HA -0.349 4.000 4.350 -0.002 0.000 0.207 338 E C 2.334 178.977 176.600 0.071 0.000 1.032 338 E CA 2.294 58.763 56.400 0.116 0.000 0.839 338 E CB -0.258 29.437 29.700 -0.007 0.000 0.758 338 E HN 0.551 nan 8.360 nan 0.000 0.457 339 A N -0.217 122.552 122.820 -0.085 0.000 1.908 339 A HA -0.201 4.118 4.320 -0.002 0.000 0.218 339 A C 1.961 179.303 177.584 -0.404 0.000 1.181 339 A CA 1.868 53.725 52.037 -0.301 0.000 0.627 339 A CB -0.973 17.616 19.000 -0.685 0.000 0.818 339 A HN 0.559 nan 8.150 nan 0.000 0.445 340 Y N -1.328 119.066 120.300 0.156 0.000 2.314 340 Y HA 0.075 4.624 4.550 -0.002 0.000 0.294 340 Y C 2.124 178.047 175.900 0.038 0.000 1.119 340 Y CA 0.465 58.611 58.100 0.077 0.000 1.179 340 Y CB -0.583 37.931 38.460 0.090 0.000 1.025 340 Y HN 0.277 nan 8.280 nan 0.000 0.541 341 L N 1.211 122.520 121.223 0.143 0.000 2.042 341 L HA -0.226 4.113 4.340 -0.002 0.000 0.210 341 L C 1.501 178.369 176.870 -0.003 0.000 1.076 341 L CA 1.907 56.780 54.840 0.055 0.000 0.749 341 L CB -0.950 41.161 42.059 0.087 0.000 0.893 341 L HN 0.227 nan 8.230 nan 0.000 0.432 342 N N -0.590 118.103 118.700 -0.011 0.000 2.106 342 N HA -0.136 4.603 4.740 -0.002 0.000 0.188 342 N C 1.880 177.360 175.510 -0.049 0.000 1.029 342 N CA 1.022 54.051 53.050 -0.035 0.000 0.848 342 N CB -0.288 38.207 38.487 0.014 0.000 1.007 342 N HN 0.496 nan 8.380 nan 0.000 0.423 343 A N 0.936 123.711 122.820 -0.075 0.000 1.892 343 A HA -0.256 4.063 4.320 -0.002 0.000 0.218 343 A C 2.558 179.961 177.584 -0.300 0.000 1.188 343 A CA 1.449 53.335 52.037 -0.251 0.000 0.631 343 A CB -1.349 17.466 19.000 -0.309 0.000 0.822 343 A HN 0.572 nan 8.150 nan 0.000 0.447 344 C N -0.642 118.571 119.300 -0.146 0.000 2.413 344 C HA -0.086 4.373 4.460 -0.002 0.000 0.276 344 C C 2.660 177.629 174.990 -0.035 0.000 1.248 344 C CA 1.276 60.249 59.018 -0.074 0.000 1.742 344 C CB -1.621 26.151 27.740 0.053 0.000 2.017 344 C HN 0.596 nan 8.230 nan 0.000 0.481 345 L N 0.273 121.485 121.223 -0.018 0.000 2.083 345 L HA -0.114 4.225 4.340 -0.002 0.000 0.209 345 L C 2.476 179.351 176.870 0.008 0.000 1.083 345 L CA 1.548 56.405 54.840 0.027 0.000 0.752 345 L CB -0.519 41.552 42.059 0.021 0.000 0.899 345 L HN 0.377 nan 8.230 nan 0.000 0.433 346 I N -0.343 120.204 120.570 -0.039 0.000 2.179 346 I HA -0.327 3.842 4.170 -0.002 0.000 0.242 346 I C 2.426 178.509 176.117 -0.057 0.000 1.088 346 I CA 1.415 62.702 61.300 -0.022 0.000 1.357 346 I CB -0.303 37.714 38.000 0.028 0.000 1.051 346 I HN 0.216 nan 8.210 nan 0.000 0.409 347 L N 0.206 121.310 121.223 -0.198 0.000 2.042 347 L HA -0.238 4.101 4.340 -0.002 0.000 0.210 347 L C 2.550 179.377 176.870 -0.071 0.000 1.076 347 L CA 1.418 56.084 54.840 -0.289 0.000 0.749 347 L CB -0.574 40.975 42.059 -0.850 0.000 0.893 347 L HN 0.268 nan 8.230 nan 0.000 0.432 348 L N -0.512 120.749 121.223 0.063 0.000 2.027 348 L HA -0.161 4.177 4.340 -0.002 0.000 0.206 348 L C 2.893 179.814 176.870 0.086 0.000 1.074 348 L CA 1.183 56.116 54.840 0.155 0.000 0.745 348 L CB -0.792 41.402 42.059 0.224 0.000 0.898 348 L HN 0.211 nan 8.230 nan 0.000 0.433 349 A N 0.251 123.111 122.820 0.066 0.000 1.933 349 A HA -0.181 4.138 4.320 -0.002 0.000 0.218 349 A C 1.876 179.480 177.584 0.034 0.000 1.175 349 A CA 1.849 53.917 52.037 0.051 0.000 0.628 349 A CB -0.533 18.492 19.000 0.042 0.000 0.814 349 A HN 0.446 nan 8.150 nan 0.000 0.444 350 N N -0.584 118.131 118.700 0.026 0.000 2.461 350 N HA 0.155 4.894 4.740 -0.002 0.000 0.188 350 N C 1.075 176.601 175.510 0.027 0.000 1.134 350 N CA 0.982 54.049 53.050 0.029 0.000 0.878 350 N CB -0.011 38.500 38.487 0.040 0.000 0.972 350 N HN 0.648 nan 8.380 nan 0.000 0.456 351 G N 0.089 108.900 108.800 0.019 0.000 2.198 351 G HA2 -0.277 3.682 3.960 -0.002 0.000 0.260 351 G HA3 -0.277 3.682 3.960 -0.002 0.000 0.260 351 G C -0.061 174.831 174.900 -0.013 0.000 1.025 351 G CA 0.182 45.281 45.100 -0.001 0.000 0.769 351 G HN 0.193 nan 8.290 nan 0.000 0.507 352 V N 2.330 122.246 119.914 0.003 0.000 2.540 352 V HA 0.235 4.354 4.120 -0.002 0.000 0.297 352 V C -0.566 175.541 176.094 0.022 0.000 1.024 352 V CA -0.581 61.738 62.300 0.033 0.000 1.105 352 V CB 0.582 32.408 31.823 0.005 0.000 0.938 352 V HN 0.382 nan 8.190 nan 0.000 0.482 353 P HA 0.153 nan 4.420 nan 0.000 0.269 353 P C -0.373 176.930 177.300 0.004 0.000 1.215 353 P CA -0.124 62.937 63.100 -0.066 0.000 0.780 353 P CB 0.472 32.180 31.700 0.013 0.000 0.898 354 F N -0.103 119.900 119.950 0.089 0.000 2.403 354 F HA 0.067 4.593 4.527 -0.002 0.000 0.320 354 F C 1.702 177.476 175.800 -0.044 0.000 1.176 354 F CA -0.474 57.506 58.000 -0.034 0.000 1.206 354 F CB 0.103 39.045 39.000 -0.097 0.000 1.235 354 F HN 0.280 nan 8.300 nan 0.000 0.565 355 D N 3.211 123.680 120.400 0.114 0.000 2.581 355 D HA -0.065 4.573 4.640 -0.002 0.000 0.238 355 D C -1.488 174.742 176.300 -0.118 0.000 1.145 355 D CA -1.058 52.934 54.000 -0.013 0.000 0.866 355 D CB 0.947 41.696 40.800 -0.085 0.000 1.151 355 D HN 0.132 nan 8.370 nan 0.000 0.500 356 P HA -0.063 nan 4.420 nan 0.000 0.234 356 P C 0.430 177.578 177.300 -0.253 0.000 1.167 356 P CA 0.474 63.497 63.100 -0.129 0.000 0.763 356 P CB 0.310 31.971 31.700 -0.065 0.000 0.835 357 N N -0.316 118.150 118.700 -0.390 0.000 2.398 357 N HA 0.085 4.823 4.740 -0.002 0.000 0.188 357 N C 0.811 175.899 175.510 -0.702 0.000 1.122 357 N CA 0.200 52.848 53.050 -0.669 0.000 0.866 357 N CB 0.263 38.004 38.487 -1.244 0.000 0.970 357 N HN 0.286 nan 8.380 nan 0.000 0.462 358 L N 1.540 122.389 121.223 -0.623 0.000 2.456 358 L HA 0.310 4.648 4.340 -0.002 0.000 0.257 358 L C -1.972 174.424 176.870 -0.790 0.000 1.162 358 L CA -1.629 52.717 54.840 -0.824 0.000 0.808 358 L CB 0.053 41.605 42.059 -0.845 0.000 1.136 358 L HN -0.162 nan 8.230 nan 0.000 0.466 359 P HA 0.228 nan 4.420 nan 0.000 0.276 359 P C -0.402 176.486 177.300 -0.685 0.000 1.244 359 P CA -0.223 62.204 63.100 -1.122 0.000 0.801 359 P CB 0.372 30.967 31.700 -1.843 0.000 1.006 360 F N -2.410 117.405 119.950 -0.225 0.000 2.884 360 F HA -0.210 4.315 4.527 -0.002 0.000 0.294 360 F C 1.284 177.053 175.800 -0.051 0.000 0.723 360 F CA -0.045 57.895 58.000 -0.101 0.000 1.294 360 F CB -1.636 37.336 39.000 -0.047 0.000 1.551 360 F HN 0.281 nan 8.300 nan 0.000 0.363 361 Q N 0.595 120.421 119.800 0.044 0.000 2.444 361 Q HA 0.091 4.430 4.340 -0.002 0.000 0.206 361 Q C 0.767 176.802 176.000 0.058 0.000 0.948 361 Q CA 0.748 56.587 55.803 0.060 0.000 0.946 361 Q CB 0.117 28.856 28.738 0.002 0.000 1.027 361 Q HN 0.616 nan 8.270 nan 0.000 0.513 362 Q N 0.495 120.328 119.800 0.055 0.000 2.256 362 Q HA 0.158 4.496 4.340 -0.002 0.000 0.232 362 Q C -0.225 175.807 176.000 0.052 0.000 0.965 362 Q CA -0.419 55.409 55.803 0.043 0.000 0.908 362 Q CB 0.865 29.624 28.738 0.034 0.000 1.209 362 Q HN 0.125 nan 8.270 nan 0.000 0.489 363 E N 0.878 121.101 120.200 0.038 0.000 2.568 363 E HA -0.157 4.192 4.350 -0.002 0.000 0.262 363 E C -0.161 176.458 176.600 0.032 0.000 0.961 363 E CA -0.046 56.374 56.400 0.033 0.000 0.945 363 E CB 0.493 30.208 29.700 0.025 0.000 0.924 363 E HN 0.470 nan 8.360 nan 0.000 0.467 364 D N 2.706 123.122 120.400 0.028 0.000 2.264 364 D HA -0.152 4.487 4.640 -0.002 0.000 0.208 364 D C 1.736 178.042 176.300 0.010 0.000 0.966 364 D CA 1.046 55.057 54.000 0.018 0.000 0.864 364 D CB 0.085 40.891 40.800 0.009 0.000 0.933 364 D HN 0.486 nan 8.370 nan 0.000 0.499 365 K N 0.360 120.767 120.400 0.012 0.000 2.209 365 K HA -0.070 4.248 4.320 -0.002 0.000 0.204 365 K C 1.838 178.445 176.600 0.012 0.000 1.048 365 K CA 0.888 57.181 56.287 0.009 0.000 0.940 365 K CB -0.195 32.311 32.500 0.009 0.000 0.729 365 K HN 0.161 nan 8.250 nan 0.000 0.451 366 L N 1.268 122.502 121.223 0.018 0.000 2.145 366 L HA -0.044 4.295 4.340 -0.002 0.000 0.201 366 L C 1.630 178.518 176.870 0.031 0.000 1.075 366 L CA 1.284 56.138 54.840 0.022 0.000 0.773 366 L CB -0.325 41.748 42.059 0.023 0.000 0.936 366 L HN 0.387 nan 8.230 nan 0.000 0.451 367 D N -2.990 117.435 120.400 0.041 0.000 2.369 367 D HA -0.061 4.577 4.640 -0.002 0.000 0.211 367 D C 0.396 176.704 176.300 0.013 0.000 1.077 367 D CA -0.097 53.942 54.000 0.064 0.000 0.842 367 D CB -0.255 40.632 40.800 0.144 0.000 0.947 367 D HN 0.015 nan 8.370 nan 0.000 0.509 368 N N -0.162 118.530 118.700 -0.012 0.000 2.693 368 N HA -0.240 4.499 4.740 -0.002 0.000 0.249 368 N C -0.780 174.658 175.510 -0.120 0.000 1.119 368 N CA 1.075 54.095 53.050 -0.049 0.000 0.717 368 N CB -1.364 37.097 38.487 -0.042 0.000 1.071 368 N HN 0.539 nan 8.380 nan 0.000 0.555 369 Q N 0.045 119.762 119.800 -0.139 0.000 2.296 369 Q HA 0.395 4.733 4.340 -0.002 0.000 0.254 369 Q C -1.711 174.212 176.000 -0.128 0.000 0.936 369 Q CA -0.603 55.029 55.803 -0.284 0.000 0.834 369 Q CB 1.491 29.732 28.738 -0.828 0.000 1.340 369 Q HN 0.104 nan 8.270 nan 0.000 0.428 370 D N 1.056 121.411 120.400 -0.076 0.000 2.387 370 D HA 0.626 5.265 4.640 -0.002 0.000 0.255 370 D C -0.946 175.405 176.300 0.085 0.000 1.081 370 D CA -0.370 53.653 54.000 0.037 0.000 0.994 370 D CB 1.610 42.434 40.800 0.040 0.000 1.127 370 D HN 0.341 nan 8.370 nan 0.000 0.513 371 V N -0.078 119.949 119.914 0.189 0.000 2.680 371 V HA 0.726 4.845 4.120 -0.002 0.000 0.309 371 V C -0.566 175.709 176.094 0.301 0.000 1.052 371 V CA -0.581 61.866 62.300 0.245 0.000 0.908 371 V CB 1.688 33.680 31.823 0.283 0.000 1.001 371 V HN 0.692 nan 8.190 nan 0.000 0.431 372 F N 1.977 121.954 119.950 0.044 0.000 1.788 372 F HA 0.256 4.782 4.527 -0.002 0.000 0.235 372 F C 1.421 177.198 175.800 -0.037 0.000 1.248 372 F CA 1.506 59.517 58.000 0.018 0.000 1.301 372 F CB -0.027 38.983 39.000 0.017 0.000 1.951 372 F HN 0.268 nan 8.300 nan 0.000 0.199 373 V N 1.559 121.396 119.914 -0.128 0.000 2.261 373 V HA -0.133 3.986 4.120 -0.002 0.000 0.246 373 V C 0.079 175.926 176.094 -0.412 0.000 1.047 373 V CA 1.690 63.818 62.300 -0.286 0.000 1.015 373 V CB -0.775 30.988 31.823 -0.101 0.000 0.642 373 V HN 0.323 nan 8.190 nan 0.000 0.446 374 N N -0.495 117.930 118.700 -0.458 0.000 2.372 374 N HA 0.470 5.209 4.740 -0.002 0.000 0.291 374 N C -0.181 174.900 175.510 -0.715 0.000 1.024 374 N CA -0.574 51.901 53.050 -0.958 0.000 0.873 374 N CB 1.300 38.968 38.487 -1.364 0.000 1.206 374 N HN 0.339 nan 8.380 nan 0.000 0.486 375 F N -1.903 118.194 119.950 0.244 0.000 2.840 375 F HA -0.230 4.296 4.527 -0.002 0.000 0.310 375 F C 0.929 176.606 175.800 -0.206 0.000 0.688 375 F CA 0.575 58.496 58.000 -0.132 0.000 1.286 375 F CB -1.684 37.084 39.000 -0.387 0.000 1.612 375 F HN 0.555 nan 8.300 nan 0.000 0.335 376 G N -0.068 108.704 108.800 -0.047 0.000 3.222 376 G HA2 0.483 4.441 3.960 -0.002 0.000 0.263 376 G HA3 0.483 4.441 3.960 -0.002 0.000 0.263 376 G C 0.583 175.260 174.900 -0.372 0.000 1.312 376 G CA -0.001 44.929 45.100 -0.284 0.000 0.934 376 G HN 0.325 nan 8.290 nan 0.000 0.577 377 S N -0.485 115.197 115.700 -0.030 0.000 2.359 377 S HA -0.065 4.404 4.470 -0.002 0.000 0.224 377 S C 2.541 176.982 174.600 -0.265 0.000 1.035 377 S CA 2.118 60.325 58.200 0.012 0.000 1.018 377 S CB -0.715 62.655 63.200 0.284 0.000 0.876 377 S HN 1.238 nan 8.310 nan 0.000 0.448 378 A N 1.461 123.925 122.820 -0.593 0.000 1.902 378 A HA -0.137 4.182 4.320 -0.002 0.000 0.217 378 A C 2.139 179.496 177.584 -0.378 0.000 1.181 378 A CA 1.709 53.356 52.037 -0.650 0.000 0.623 378 A CB -1.421 16.837 19.000 -1.235 0.000 0.818 378 A HN 0.822 nan 8.150 nan 0.000 0.443 379 H N -1.338 117.449 119.070 -0.471 0.000 2.290 379 H HA -0.118 4.437 4.556 -0.002 0.000 0.298 379 H C 2.140 177.185 175.328 -0.472 0.000 1.087 379 H CA 1.535 57.382 56.048 -0.334 0.000 1.291 379 H CB 0.037 29.710 29.762 -0.149 0.000 1.369 379 H HN 0.253 nan 8.280 nan 0.000 0.492 380 V N 0.788 120.181 119.914 -0.868 0.000 2.515 380 V HA -0.191 3.928 4.120 -0.002 0.000 0.250 380 V C 2.259 178.082 176.094 -0.451 0.000 1.058 380 V CA 1.470 63.118 62.300 -1.087 0.000 1.064 380 V CB -0.391 30.455 31.823 -1.628 0.000 0.675 380 V HN 0.389 nan 8.190 nan 0.000 0.461 381 L N -0.655 120.383 121.223 -0.307 0.000 2.093 381 L HA -0.095 4.244 4.340 -0.002 0.000 0.208 381 L C 2.681 179.439 176.870 -0.187 0.000 1.085 381 L CA 1.713 56.441 54.840 -0.187 0.000 0.755 381 L CB -0.506 41.482 42.059 -0.119 0.000 0.904 381 L HN 0.277 nan 8.230 nan 0.000 0.435 382 S N -0.357 115.244 115.700 -0.166 0.000 2.357 382 S HA -0.107 4.362 4.470 -0.002 0.000 0.221 382 S C 1.824 176.357 174.600 -0.111 0.000 1.031 382 S CA 0.814 58.943 58.200 -0.118 0.000 0.982 382 S CB -0.152 63.007 63.200 -0.069 0.000 0.853 382 S HN 0.155 nan 8.310 nan 0.000 0.458 383 L N 1.502 122.661 121.223 -0.107 0.000 2.042 383 L HA -0.002 4.337 4.340 -0.002 0.000 0.210 383 L C 2.354 179.154 176.870 -0.117 0.000 1.076 383 L CA 1.449 56.231 54.840 -0.096 0.000 0.749 383 L CB -1.060 40.922 42.059 -0.127 0.000 0.893 383 L HN 0.202 nan 8.230 nan 0.000 0.432 384 V N -0.762 119.062 119.914 -0.150 0.000 2.594 384 V HA -0.254 3.865 4.120 -0.002 0.000 0.253 384 V C 2.438 178.453 176.094 -0.133 0.000 1.069 384 V CA 2.180 64.415 62.300 -0.109 0.000 1.082 384 V CB -0.443 31.339 31.823 -0.067 0.000 0.680 384 V HN 0.807 nan 8.190 nan 0.000 0.469 385 T N -2.046 112.357 114.554 -0.251 0.000 3.010 385 T HA -0.065 4.284 4.350 -0.002 0.000 0.252 385 T C 1.721 176.378 174.700 -0.072 0.000 1.047 385 T CA 0.896 62.761 62.100 -0.390 0.000 1.140 385 T CB -0.287 68.104 68.868 -0.795 0.000 0.885 385 T HN 0.742 nan 8.240 nan 0.000 0.464 386 E N 2.302 122.464 120.200 -0.062 0.000 2.204 386 E HA -0.133 4.216 4.350 -0.002 0.000 0.195 386 E C 2.159 178.768 176.600 0.016 0.000 0.990 386 E CA 1.521 57.919 56.400 -0.004 0.000 0.821 386 E CB -0.587 29.105 29.700 -0.013 0.000 0.750 386 E HN 0.563 nan 8.360 nan 0.000 0.477 387 V N -1.572 118.343 119.914 0.002 0.000 2.970 387 V HA 0.079 4.198 4.120 -0.002 0.000 0.260 387 V C 2.421 178.529 176.094 0.025 0.000 1.100 387 V CA 1.017 63.318 62.300 0.001 0.000 1.122 387 V CB -0.485 31.322 31.823 -0.026 0.000 0.721 387 V HN 0.362 nan 8.190 nan 0.000 0.483 388 A N 2.384 125.246 122.820 0.069 0.000 1.883 388 A HA -0.194 4.125 4.320 -0.002 0.000 0.217 388 A C 2.524 180.143 177.584 0.057 0.000 1.186 388 A CA 2.943 55.034 52.037 0.090 0.000 0.624 388 A CB -1.387 17.734 19.000 0.202 0.000 0.822 388 A HN 0.762 nan 8.150 nan 0.000 0.444 389 T N -2.391 112.198 114.554 0.059 0.000 2.951 389 T HA -0.078 4.270 4.350 -0.002 0.000 0.268 389 T C 1.887 176.599 174.700 0.021 0.000 1.073 389 T CA 1.287 63.409 62.100 0.036 0.000 1.134 389 T CB -0.227 68.665 68.868 0.040 0.000 0.884 389 T HN 0.391 nan 8.240 nan 0.000 0.479 390 R N 1.786 122.298 120.500 0.019 0.000 2.075 390 R HA 0.307 4.646 4.340 -0.002 0.000 0.232 390 R C 2.897 179.198 176.300 0.002 0.000 1.126 390 R CA 1.375 57.480 56.100 0.008 0.000 0.963 390 R CB -1.041 29.262 30.300 0.005 0.000 0.858 390 R HN 0.530 nan 8.270 nan 0.000 0.435 391 A N 0.560 123.381 122.820 0.002 0.000 1.933 391 A HA -0.100 4.219 4.320 -0.002 0.000 0.218 391 A C 2.120 179.704 177.584 -0.001 0.000 1.175 391 A CA 1.160 53.194 52.037 -0.005 0.000 0.628 391 A CB -0.563 18.431 19.000 -0.010 0.000 0.814 391 A HN 0.211 nan 8.150 nan 0.000 0.444 392 L N -0.783 120.442 121.223 0.004 0.000 2.083 392 L HA -0.202 4.137 4.340 -0.002 0.000 0.209 392 L C 2.572 179.448 176.870 0.010 0.000 1.083 392 L CA 1.649 56.491 54.840 0.003 0.000 0.752 392 L CB -0.387 41.672 42.059 -0.000 0.000 0.899 392 L HN 0.358 nan 8.230 nan 0.000 0.433 393 K N -0.000 120.404 120.400 0.008 0.000 2.057 393 K HA -0.169 4.150 4.320 -0.002 0.000 0.207 393 K C 2.245 178.863 176.600 0.031 0.000 1.049 393 K CA 1.432 57.724 56.287 0.007 0.000 0.931 393 K CB -0.321 32.169 32.500 -0.016 0.000 0.714 393 K HN 0.287 nan 8.250 nan 0.000 0.440 394 A N 0.910 123.743 122.820 0.023 0.000 1.883 394 A HA -0.148 4.171 4.320 -0.002 0.000 0.217 394 A C 2.334 179.970 177.584 0.087 0.000 1.186 394 A CA 1.564 53.631 52.037 0.050 0.000 0.624 394 A CB -0.771 18.242 19.000 0.020 0.000 0.822 394 A HN 0.156 nan 8.150 nan 0.000 0.444 395 V N -0.220 119.719 119.914 0.042 0.000 2.667 395 V HA -0.138 3.981 4.120 -0.002 0.000 0.252 395 V C 2.571 178.700 176.094 0.059 0.000 1.065 395 V CA 1.552 63.866 62.300 0.023 0.000 1.083 395 V CB -0.744 31.068 31.823 -0.019 0.000 0.692 395 V HN 0.447 nan 8.190 nan 0.000 0.468 396 R N -0.939 119.616 120.500 0.091 0.000 2.092 396 R HA -0.145 4.194 4.340 -0.002 0.000 0.231 396 R C 2.088 178.518 176.300 0.216 0.000 1.119 396 R CA 1.786 57.986 56.100 0.166 0.000 0.970 396 R CB -1.028 29.358 30.300 0.143 0.000 0.864 396 R HN 0.678 nan 8.270 nan 0.000 0.440 397 Y N 2.234 122.561 120.300 0.045 0.000 2.181 397 Y HA -0.222 4.327 4.550 -0.002 0.000 0.288 397 Y C 2.246 178.175 175.900 0.050 0.000 1.146 397 Y CA 1.630 59.744 58.100 0.024 0.000 1.164 397 Y CB -0.019 38.430 38.460 -0.019 0.000 0.982 397 Y HN 0.005 nan 8.280 nan 0.000 0.515 398 Q N 0.489 120.312 119.800 0.039 0.000 2.079 398 Q HA -0.157 4.182 4.340 -0.002 0.000 0.200 398 Q C 2.213 178.272 176.000 0.098 0.000 0.974 398 Q CA 1.549 57.388 55.803 0.059 0.000 0.840 398 Q CB -0.318 28.495 28.738 0.125 0.000 0.898 398 Q HN 0.509 nan 8.270 nan 0.000 0.430 399 K N -0.353 120.066 120.400 0.032 0.000 1.991 399 K HA -0.106 4.213 4.320 -0.002 0.000 0.212 399 K C 2.016 178.510 176.600 -0.177 0.000 1.049 399 K CA 1.495 57.734 56.287 -0.080 0.000 0.932 399 K CB -0.121 32.267 32.500 -0.186 0.000 0.717 399 K HN 0.073 nan 8.250 nan 0.000 0.441 400 F N 0.321 120.227 119.950 -0.074 0.000 2.274 400 F HA 0.019 4.545 4.527 -0.002 0.000 0.288 400 F C 1.844 177.506 175.800 -0.229 0.000 1.069 400 F CA 0.732 58.641 58.000 -0.152 0.000 1.343 400 F CB -0.040 38.858 39.000 -0.171 0.000 1.089 400 F HN 0.015 nan 8.300 nan 0.000 0.517 401 N N -0.030 118.614 118.700 -0.094 0.000 2.300 401 N HA -0.063 4.676 4.740 -0.002 0.000 0.179 401 N C 1.446 176.731 175.510 -0.375 0.000 1.016 401 N CA 0.979 53.861 53.050 -0.281 0.000 0.876 401 N CB 0.186 38.431 38.487 -0.402 0.000 0.979 401 N HN 0.097 nan 8.380 nan 0.000 0.432 402 I N -0.386 119.929 120.570 -0.425 0.000 3.098 402 I HA -0.004 4.165 4.170 -0.002 0.000 0.241 402 I C 1.667 177.598 176.117 -0.310 0.000 1.081 402 I CA 1.194 62.219 61.300 -0.459 0.000 1.487 402 I CB -1.180 36.413 38.000 -0.679 0.000 1.366 402 I HN 0.213 nan 8.210 nan 0.000 0.463 403 H N 1.429 120.493 119.070 -0.010 0.000 2.486 403 H HA 0.227 4.782 4.556 -0.002 0.000 0.287 403 H C 0.238 175.619 175.328 0.087 0.000 1.010 403 H CA -0.021 56.067 56.048 0.066 0.000 1.324 403 H CB 0.270 30.140 29.762 0.180 0.000 1.446 403 H HN 0.197 nan 8.280 nan 0.000 0.537 404 R N 1.617 122.225 120.500 0.180 0.000 3.118 404 R HA -0.179 4.160 4.340 -0.002 0.000 0.238 404 R C 0.264 176.718 176.300 0.257 0.000 0.884 404 R CA 0.150 56.374 56.100 0.206 0.000 0.601 404 R CB -1.285 29.209 30.300 0.323 0.000 1.009 404 R HN 0.285 nan 8.270 nan 0.000 0.478 405 R N 1.909 122.542 120.500 0.222 0.000 2.438 405 R HA 0.184 4.523 4.340 -0.002 0.000 0.287 405 R C 0.655 177.117 176.300 0.270 0.000 1.077 405 R CA -0.425 55.797 56.100 0.203 0.000 1.034 405 R CB 0.548 30.940 30.300 0.154 0.000 0.993 405 R HN 0.361 nan 8.270 nan 0.000 0.459 406 L N 2.791 124.166 121.223 0.254 0.000 2.456 406 L HA 0.320 4.659 4.340 -0.002 0.000 0.272 406 L C 0.050 177.110 176.870 0.317 0.000 1.189 406 L CA -0.621 54.384 54.840 0.275 0.000 0.846 406 L CB 0.544 42.705 42.059 0.169 0.000 1.111 406 L HN 0.482 nan 8.230 nan 0.000 0.475 407 R N 2.854 123.497 120.500 0.238 0.000 2.679 407 R HA 0.180 4.519 4.340 -0.002 0.000 0.269 407 R C -1.611 174.669 176.300 -0.033 0.000 1.076 407 R CA -1.534 54.605 56.100 0.065 0.000 1.160 407 R CB 0.115 30.407 30.300 -0.013 0.000 1.054 407 R HN 0.550 nan 8.270 nan 0.000 0.507 408 P HA -0.214 nan 4.420 nan 0.000 0.216 408 P C 1.038 178.244 177.300 -0.157 0.000 1.150 408 P CA 1.454 64.307 63.100 -0.412 0.000 0.837 408 P CB 0.055 31.349 31.700 -0.677 0.000 0.786 409 E N 0.097 120.227 120.200 -0.116 0.000 2.130 409 E HA -0.232 4.117 4.350 -0.002 0.000 0.196 409 E C 1.874 178.581 176.600 0.178 0.000 0.998 409 E CA 1.624 58.039 56.400 0.026 0.000 0.806 409 E CB -1.083 28.661 29.700 0.073 0.000 0.738 409 E HN 0.156 nan 8.360 nan 0.000 0.459 410 A N 1.244 124.138 122.820 0.123 0.000 1.929 410 A HA -0.077 4.242 4.320 -0.002 0.000 0.216 410 A C 2.405 180.029 177.584 0.067 0.000 1.176 410 A CA 1.650 53.773 52.037 0.144 0.000 0.628 410 A CB -0.826 18.194 19.000 0.032 0.000 0.816 410 A HN 0.319 nan 8.150 nan 0.000 0.444 411 T N -0.045 114.549 114.554 0.066 0.000 2.720 411 T HA -0.093 4.256 4.350 -0.002 0.000 0.268 411 T C 1.928 176.652 174.700 0.039 0.000 1.037 411 T CA 1.574 63.710 62.100 0.060 0.000 1.144 411 T CB -0.565 68.407 68.868 0.173 0.000 0.864 411 T HN 0.580 nan 8.240 nan 0.000 0.444 412 G N 0.642 109.453 108.800 0.018 0.000 2.422 412 G HA2 -0.010 3.948 3.960 -0.002 0.000 0.218 412 G HA3 -0.010 3.948 3.960 -0.002 0.000 0.218 412 G C 1.686 176.546 174.900 -0.068 0.000 1.140 412 G CA 0.889 46.004 45.100 0.025 0.000 0.775 412 G HN 0.568 nan 8.290 nan 0.000 0.545 413 G N 0.902 109.593 108.800 -0.181 0.000 2.408 413 G HA2 -0.106 3.853 3.960 -0.002 0.000 0.217 413 G HA3 -0.106 3.853 3.960 -0.002 0.000 0.217 413 G C 1.773 176.630 174.900 -0.071 0.000 1.150 413 G CA 0.665 45.575 45.100 -0.317 0.000 0.776 413 G HN 0.424 nan 8.290 nan 0.000 0.542 414 L N -0.050 121.123 121.223 -0.082 0.000 2.027 414 L HA 0.018 4.357 4.340 -0.002 0.000 0.206 414 L C 2.828 179.746 176.870 0.080 0.000 1.074 414 L CA 0.652 55.422 54.840 -0.116 0.000 0.745 414 L CB -0.441 41.407 42.059 -0.352 0.000 0.898 414 L HN 0.155 nan 8.230 nan 0.000 0.433 415 I N -0.594 120.001 120.570 0.042 0.000 2.163 415 I HA -0.344 3.825 4.170 -0.002 0.000 0.243 415 I C 2.916 179.064 176.117 0.052 0.000 1.085 415 I CA 1.568 62.897 61.300 0.048 0.000 1.347 415 I CB -0.214 37.830 38.000 0.074 0.000 1.044 415 I HN 0.234 nan 8.210 nan 0.000 0.408 416 S N 0.174 115.930 115.700 0.093 0.000 2.356 416 S HA -0.151 4.318 4.470 -0.002 0.000 0.223 416 S C 2.094 176.792 174.600 0.162 0.000 1.032 416 S CA 1.549 59.854 58.200 0.174 0.000 1.005 416 S CB -0.275 62.996 63.200 0.118 0.000 0.867 416 S HN 0.230 nan 8.310 nan 0.000 0.449 417 V N 3.497 123.497 119.914 0.144 0.000 2.287 417 V HA -0.189 3.929 4.120 -0.002 0.000 0.248 417 V C 2.684 178.848 176.094 0.116 0.000 1.053 417 V CA 2.134 64.531 62.300 0.161 0.000 1.027 417 V CB -1.065 30.923 31.823 0.276 0.000 0.646 417 V HN 0.632 nan 8.190 nan 0.000 0.447 418 N N 0.778 119.570 118.700 0.154 0.000 2.036 418 N HA -0.268 4.470 4.740 -0.002 0.000 0.195 418 N C 1.978 177.485 175.510 -0.004 0.000 1.037 418 N CA 2.415 55.506 53.050 0.068 0.000 0.855 418 N CB -0.211 38.332 38.487 0.093 0.000 1.033 418 N HN 0.548 nan 8.380 nan 0.000 0.423 419 K N 0.188 120.563 120.400 -0.041 0.000 2.057 419 K HA 0.017 4.335 4.320 -0.002 0.000 0.206 419 K C 2.368 178.947 176.600 -0.035 0.000 1.050 419 K CA 0.767 56.965 56.287 -0.148 0.000 0.935 419 K CB -0.073 32.142 32.500 -0.476 0.000 0.715 419 K HN 0.182 nan 8.250 nan 0.000 0.439 420 I N 0.984 121.614 120.570 0.099 0.000 2.163 420 I HA -0.281 3.888 4.170 -0.002 0.000 0.243 420 I C 2.417 178.568 176.117 0.057 0.000 1.085 420 I CA 1.347 62.735 61.300 0.146 0.000 1.347 420 I CB -0.295 37.801 38.000 0.161 0.000 1.044 420 I HN 0.261 nan 8.210 nan 0.000 0.408 421 A N 0.478 123.311 122.820 0.022 0.000 1.930 421 A HA -0.100 4.219 4.320 -0.002 0.000 0.217 421 A C 2.513 180.086 177.584 -0.018 0.000 1.175 421 A CA 1.585 53.616 52.037 -0.010 0.000 0.627 421 A CB -0.753 18.220 19.000 -0.044 0.000 0.815 421 A HN 0.431 nan 8.150 nan 0.000 0.443 422 A N -0.667 122.138 122.820 -0.025 0.000 1.972 422 A HA -0.216 4.103 4.320 -0.002 0.000 0.219 422 A C 2.077 179.648 177.584 -0.022 0.000 1.169 422 A CA 1.632 53.649 52.037 -0.033 0.000 0.635 422 A CB -0.517 18.454 19.000 -0.048 0.000 0.810 422 A HN 0.652 nan 8.150 nan 0.000 0.446 423 Q N -0.374 119.421 119.800 -0.009 0.000 2.167 423 Q HA -0.118 4.221 4.340 -0.002 0.000 0.202 423 Q C 0.848 176.851 176.000 0.005 0.000 0.970 423 Q CA 1.401 57.207 55.803 0.005 0.000 0.855 423 Q CB -0.090 28.669 28.738 0.035 0.000 0.911 423 Q HN 0.684 nan 8.270 nan 0.000 0.438 424 K N -0.394 120.008 120.400 0.003 0.000 2.520 424 K HA 0.214 4.532 4.320 -0.002 0.000 0.205 424 K C 0.449 177.043 176.600 -0.009 0.000 1.035 424 K CA 0.363 56.650 56.287 -0.001 0.000 1.188 424 K CB 0.511 33.012 32.500 0.001 0.000 0.894 424 K HN 0.191 nan 8.250 nan 0.000 0.497 425 G N 1.730 110.523 108.800 -0.013 0.000 2.273 425 G HA2 -0.292 3.666 3.960 -0.002 0.000 0.280 425 G HA3 -0.292 3.666 3.960 -0.002 0.000 0.280 425 G C -0.546 174.340 174.900 -0.023 0.000 1.047 425 G CA 0.223 45.313 45.100 -0.017 0.000 0.869 425 G HN 0.468 nan 8.290 nan 0.000 0.502 426 E N -0.870 119.313 120.200 -0.029 0.000 2.359 426 E HA 0.649 4.998 4.350 -0.002 0.000 0.266 426 E C -0.686 175.883 176.600 -0.051 0.000 0.920 426 E CA -0.723 55.653 56.400 -0.040 0.000 0.788 426 E CB 1.974 31.646 29.700 -0.046 0.000 1.279 426 E HN 0.155 nan 8.360 nan 0.000 0.438 427 S N 1.665 117.328 115.700 -0.062 0.000 2.530 427 S HA 0.572 5.040 4.470 -0.002 0.000 0.322 427 S C -0.965 173.563 174.600 -0.121 0.000 1.085 427 S CA -0.473 57.683 58.200 -0.073 0.000 1.096 427 S CB 0.107 63.274 63.200 -0.055 0.000 0.988 427 S HN 0.380 nan 8.310 nan 0.000 0.466 428 I N 4.294 124.767 120.570 -0.161 0.000 2.582 428 I HA 0.454 4.623 4.170 -0.002 0.000 0.292 428 I C -0.779 175.181 176.117 -0.263 0.000 1.066 428 I CA -1.016 60.078 61.300 -0.344 0.000 1.053 428 I CB 1.483 39.190 38.000 -0.488 0.000 1.241 428 I HN 0.854 nan 8.210 nan 0.000 0.421 429 F N 4.952 124.870 119.950 -0.053 0.000 2.905 429 F HA -0.146 4.380 4.527 -0.002 0.000 0.291 429 F C -1.576 174.162 175.800 -0.104 0.000 1.002 429 F CA -0.680 57.267 58.000 -0.088 0.000 0.978 429 F CB -1.036 37.921 39.000 -0.072 0.000 1.036 429 F HN 0.440 nan 8.300 nan 0.000 0.820 430 P HA -0.161 nan 4.420 nan 0.000 0.225 430 P C 1.140 178.417 177.300 -0.039 0.000 1.148 430 P CA 1.513 64.607 63.100 -0.009 0.000 0.779 430 P CB 0.228 31.916 31.700 -0.020 0.000 0.780 431 E N 0.160 120.299 120.200 -0.101 0.000 2.171 431 E HA -0.137 4.212 4.350 -0.002 0.000 0.197 431 E C 1.645 178.175 176.600 -0.115 0.000 0.997 431 E CA 1.467 57.746 56.400 -0.203 0.000 0.810 431 E CB -0.787 28.600 29.700 -0.522 0.000 0.738 431 E HN 0.287 nan 8.360 nan 0.000 0.467 432 V N -2.154 117.722 119.914 -0.063 0.000 3.342 432 V HA 0.146 4.265 4.120 -0.002 0.000 0.322 432 V C 0.712 176.790 176.094 -0.026 0.000 1.370 432 V CA 0.036 62.313 62.300 -0.038 0.000 1.170 432 V CB 0.255 32.063 31.823 -0.023 0.000 1.101 432 V HN -0.119 nan 8.190 nan 0.000 0.442 433 D N 0.995 121.379 120.400 -0.027 0.000 2.123 433 D HA -0.167 4.472 4.640 -0.002 0.000 0.196 433 D C 1.842 178.123 176.300 -0.033 0.000 0.992 433 D CA 1.717 55.700 54.000 -0.029 0.000 0.833 433 D CB 0.004 40.789 40.800 -0.025 0.000 0.954 433 D HN 0.512 nan 8.370 nan 0.000 0.455 434 L N 0.758 121.965 121.223 -0.027 0.000 2.017 434 L HA -0.097 4.242 4.340 -0.002 0.000 0.208 434 L C 2.148 179.001 176.870 -0.028 0.000 1.073 434 L CA 1.853 56.678 54.840 -0.024 0.000 0.745 434 L CB -0.807 41.242 42.059 -0.016 0.000 0.894 434 L HN -0.012 nan 8.230 nan 0.000 0.432 435 A N -1.237 121.567 122.820 -0.027 0.000 1.883 435 A HA -0.180 4.139 4.320 -0.002 0.000 0.217 435 A C 2.269 179.819 177.584 -0.056 0.000 1.186 435 A CA 2.169 54.191 52.037 -0.025 0.000 0.624 435 A CB -1.143 17.855 19.000 -0.003 0.000 0.822 435 A HN 0.306 nan 8.150 nan 0.000 0.444 436 V N 0.073 119.945 119.914 -0.070 0.000 2.427 436 V HA -0.198 3.921 4.120 -0.002 0.000 0.248 436 V C 2.624 178.653 176.094 -0.108 0.000 1.051 436 V CA 2.080 64.311 62.300 -0.116 0.000 1.048 436 V CB -0.600 31.150 31.823 -0.120 0.000 0.666 436 V HN 0.645 nan 8.190 nan 0.000 0.456 437 E N 0.290 120.445 120.200 -0.074 0.000 2.106 437 E HA -0.206 4.142 4.350 -0.002 0.000 0.192 437 E C 2.089 178.657 176.600 -0.055 0.000 0.984 437 E CA 1.347 57.711 56.400 -0.061 0.000 0.806 437 E CB 0.084 29.759 29.700 -0.043 0.000 0.750 437 E HN 0.710 nan 8.360 nan 0.000 0.458 438 E N -0.406 119.765 120.200 -0.048 0.000 2.318 438 E HA 0.060 4.409 4.350 -0.002 0.000 0.193 438 E C 1.322 177.893 176.600 -0.048 0.000 0.998 438 E CA 0.078 56.455 56.400 -0.037 0.000 0.859 438 E CB 0.369 30.058 29.700 -0.018 0.000 0.812 438 E HN 0.199 nan 8.360 nan 0.000 0.492 439 L N 0.233 121.414 121.223 -0.070 0.000 2.872 439 L HA 0.271 4.610 4.340 -0.002 0.000 0.245 439 L C 1.840 178.650 176.870 -0.100 0.000 1.211 439 L CA -0.338 54.450 54.840 -0.086 0.000 1.013 439 L CB 0.237 42.230 42.059 -0.109 0.000 1.326 439 L HN 0.144 nan 8.230 nan 0.000 0.525 440 G N 0.746 109.497 108.800 -0.082 0.000 2.574 440 G HA2 -0.322 3.637 3.960 -0.002 0.000 0.220 440 G HA3 -0.322 3.637 3.960 -0.002 0.000 0.220 440 G C 1.028 175.917 174.900 -0.017 0.000 1.173 440 G CA 1.231 46.287 45.100 -0.073 0.000 0.772 440 G HN 0.321 nan 8.290 nan 0.000 0.585 441 D N 0.373 120.796 120.400 0.039 0.000 2.117 441 D HA -0.049 4.590 4.640 -0.002 0.000 0.197 441 D C 2.553 178.997 176.300 0.240 0.000 0.987 441 D CA 0.511 54.606 54.000 0.157 0.000 0.829 441 D CB -0.217 40.731 40.800 0.247 0.000 0.961 441 D HN 0.424 nan 8.370 nan 0.000 0.460 442 I N 0.313 120.991 120.570 0.180 0.000 2.252 442 I HA -0.190 3.979 4.170 -0.002 0.000 0.245 442 I C 2.268 178.389 176.117 0.008 0.000 1.102 442 I CA 0.596 62.001 61.300 0.173 0.000 1.385 442 I CB -0.100 37.934 38.000 0.058 0.000 1.064 442 I HN -0.034 nan 8.210 nan 0.000 0.414 443 L N 0.168 121.328 121.223 -0.104 0.000 2.093 443 L HA -0.167 4.172 4.340 -0.002 0.000 0.208 443 L C 2.596 179.562 176.870 0.159 0.000 1.085 443 L CA 1.014 55.799 54.840 -0.091 0.000 0.755 443 L CB -0.633 41.276 42.059 -0.250 0.000 0.904 443 L HN 0.236 nan 8.230 nan 0.000 0.435 444 E N 0.541 120.812 120.200 0.118 0.000 2.110 444 E HA -0.216 4.133 4.350 -0.002 0.000 0.193 444 E C 2.131 178.778 176.600 0.078 0.000 0.988 444 E CA 1.117 57.602 56.400 0.143 0.000 0.804 444 E CB -0.081 29.669 29.700 0.084 0.000 0.745 444 E HN 0.417 nan 8.360 nan 0.000 0.458 445 K N 0.618 121.049 120.400 0.052 0.000 2.057 445 K HA -0.082 4.236 4.320 -0.002 0.000 0.207 445 K C 2.118 178.744 176.600 0.043 0.000 1.049 445 K CA 1.276 57.575 56.287 0.020 0.000 0.931 445 K CB -0.153 32.353 32.500 0.011 0.000 0.714 445 K HN 0.080 nan 8.250 nan 0.000 0.440 446 A N 1.107 123.980 122.820 0.087 0.000 1.902 446 A HA -0.254 4.064 4.320 -0.002 0.000 0.217 446 A C 2.050 179.651 177.584 0.028 0.000 1.181 446 A CA 1.804 53.906 52.037 0.108 0.000 0.623 446 A CB -0.516 18.599 19.000 0.192 0.000 0.818 446 A HN 0.441 nan 8.150 nan 0.000 0.443 447 E N -0.275 119.931 120.200 0.010 0.000 2.058 447 E HA -0.202 4.147 4.350 -0.002 0.000 0.194 447 E C 1.874 178.392 176.600 -0.137 0.000 0.997 447 E CA 1.491 57.779 56.400 -0.186 0.000 0.801 447 E CB -0.224 29.321 29.700 -0.259 0.000 0.746 447 E HN 0.664 nan 8.360 nan 0.000 0.450 448 I N 0.371 120.899 120.570 -0.071 0.000 2.179 448 I HA -0.263 3.906 4.170 -0.002 0.000 0.242 448 I C 2.750 178.822 176.117 -0.075 0.000 1.088 448 I CA 1.127 62.385 61.300 -0.070 0.000 1.357 448 I CB -0.371 37.597 38.000 -0.054 0.000 1.051 448 I HN 0.109 nan 8.210 nan 0.000 0.409 449 S N 0.969 116.631 115.700 -0.063 0.000 2.359 449 S HA -0.228 4.241 4.470 -0.002 0.000 0.224 449 S C 1.965 176.514 174.600 -0.084 0.000 1.035 449 S CA 1.995 60.153 58.200 -0.071 0.000 1.018 449 S CB -0.348 62.820 63.200 -0.054 0.000 0.876 449 S HN 0.404 nan 8.310 nan 0.000 0.448 450 N N 1.185 119.834 118.700 -0.085 0.000 2.166 450 N HA -0.083 4.656 4.740 -0.002 0.000 0.186 450 N C 1.846 177.289 175.510 -0.111 0.000 1.019 450 N CA 1.054 54.043 53.050 -0.102 0.000 0.856 450 N CB -0.606 37.812 38.487 -0.116 0.000 0.993 450 N HN 0.563 nan 8.380 nan 0.000 0.426 451 R N 1.562 121.993 120.500 -0.117 0.000 2.083 451 R HA -0.070 4.269 4.340 -0.002 0.000 0.237 451 R C 1.811 178.059 176.300 -0.086 0.000 1.137 451 R CA 1.450 57.488 56.100 -0.103 0.000 0.951 451 R CB -0.013 30.226 30.300 -0.101 0.000 0.851 451 R HN 0.110 nan 8.270 nan 0.000 0.434 452 K N -0.092 120.257 120.400 -0.085 0.000 2.063 452 K HA -0.240 4.079 4.320 -0.002 0.000 0.208 452 K C 2.249 178.796 176.600 -0.088 0.000 1.048 452 K CA 1.835 58.074 56.287 -0.081 0.000 0.928 452 K CB -0.103 32.347 32.500 -0.083 0.000 0.713 452 K HN 0.162 nan 8.250 nan 0.000 0.442 453 Q N 1.113 120.852 119.800 -0.102 0.000 2.119 453 Q HA -0.095 4.244 4.340 -0.002 0.000 0.201 453 Q C 1.534 177.475 176.000 -0.098 0.000 0.972 453 Q CA 1.555 57.287 55.803 -0.119 0.000 0.847 453 Q CB 0.007 28.660 28.738 -0.142 0.000 0.903 453 Q HN 0.240 nan 8.270 nan 0.000 0.433 454 N N -0.276 118.375 118.700 -0.083 0.000 2.216 454 N HA -0.050 4.689 4.740 -0.002 0.000 0.183 454 N C 1.709 177.191 175.510 -0.048 0.000 1.017 454 N CA 1.074 54.087 53.050 -0.062 0.000 0.861 454 N CB -0.092 38.357 38.487 -0.063 0.000 0.986 454 N HN 0.333 nan 8.380 nan 0.000 0.428 455 I N 1.250 121.788 120.570 -0.053 0.000 2.142 455 I HA -0.231 3.937 4.170 -0.002 0.000 0.240 455 I C 2.272 178.365 176.117 -0.040 0.000 1.078 455 I CA 1.057 62.331 61.300 -0.043 0.000 1.343 455 I CB -0.366 37.607 38.000 -0.045 0.000 1.046 455 I HN 0.051 nan 8.210 nan 0.000 0.405 456 A N 0.086 122.875 122.820 -0.053 0.000 2.024 456 A HA -0.235 4.084 4.320 -0.002 0.000 0.220 456 A C 1.744 179.305 177.584 -0.039 0.000 1.164 456 A CA 1.903 53.909 52.037 -0.052 0.000 0.643 456 A CB -0.525 18.430 19.000 -0.075 0.000 0.806 456 A HN 0.377 nan 8.150 nan 0.000 0.451 457 D N -1.426 118.953 120.400 -0.036 0.000 2.363 457 D HA 0.237 4.876 4.640 -0.002 0.000 0.226 457 D C 1.298 177.607 176.300 0.016 0.000 1.020 457 D CA 1.198 55.195 54.000 -0.005 0.000 0.892 457 D CB 0.129 40.925 40.800 -0.007 0.000 0.900 457 D HN 0.623 nan 8.370 nan 0.000 0.531 458 G N 0.791 109.593 108.800 0.003 0.000 2.154 458 G HA2 -0.188 3.771 3.960 -0.002 0.000 0.186 458 G HA3 -0.188 3.771 3.960 -0.002 0.000 0.186 458 G C -0.269 174.635 174.900 0.007 0.000 1.000 458 G CA -0.308 44.799 45.100 0.011 0.000 0.664 458 G HN 0.278 nan 8.290 nan 0.000 0.513 459 D N 0.893 121.292 120.400 -0.003 0.000 2.461 459 D HA 0.389 5.028 4.640 -0.002 0.000 0.240 459 D C -0.930 175.361 176.300 -0.014 0.000 1.094 459 D CA -1.420 52.577 54.000 -0.005 0.000 0.868 459 D CB 2.012 42.808 40.800 -0.007 0.000 1.062 459 D HN 0.104 nan 8.370 nan 0.000 0.530 460 P HA -0.045 nan 4.420 nan 0.000 0.221 460 P C 0.159 177.446 177.300 -0.020 0.000 1.150 460 P CA 0.793 63.883 63.100 -0.016 0.000 0.800 460 P CB 0.611 32.305 31.700 -0.010 0.000 0.787 461 D N 0.246 120.634 120.400 -0.019 0.000 2.513 461 D HA 0.237 4.876 4.640 -0.002 0.000 0.295 461 D C -2.494 173.790 176.300 -0.027 0.000 1.202 461 D CA -2.175 51.811 54.000 -0.023 0.000 0.849 461 D CB 0.389 41.178 40.800 -0.017 0.000 1.116 461 D HN 0.028 nan 8.370 nan 0.000 0.502 462 P HA 0.245 nan 4.420 nan 0.000 0.279 462 P C -0.260 177.007 177.300 -0.054 0.000 1.239 462 P CA -0.406 62.668 63.100 -0.044 0.000 0.789 462 P CB 0.902 32.568 31.700 -0.056 0.000 0.933 463 D N 3.347 123.719 120.400 -0.047 0.000 2.548 463 D HA 0.010 4.648 4.640 -0.002 0.000 0.231 463 D C -1.848 174.388 176.300 -0.106 0.000 1.142 463 D CA -0.036 53.930 54.000 -0.057 0.000 0.866 463 D CB -0.551 40.227 40.800 -0.037 0.000 1.190 463 D HN 0.260 nan 8.370 nan 0.000 0.469 464 P HA 0.026 nan 4.420 nan 0.000 0.265 464 P C -0.570 176.531 177.300 -0.332 0.000 1.187 464 P CA 0.152 63.093 63.100 -0.265 0.000 0.766 464 P CB 0.597 32.156 31.700 -0.235 0.000 0.820 465 S N 1.816 117.208 115.700 -0.513 0.000 2.614 465 S HA 0.497 4.966 4.470 -0.002 0.000 0.275 465 S C -0.758 173.521 174.600 -0.535 0.000 1.161 465 S CA -0.568 57.394 58.200 -0.397 0.000 0.969 465 S CB 0.137 63.213 63.200 -0.208 0.000 1.059 465 S HN 0.184 nan 8.310 nan 0.000 0.482 466 F N 3.718 123.647 119.950 -0.035 0.000 2.647 466 F HA 0.418 4.943 4.527 -0.002 0.000 0.300 466 F C 0.626 176.465 175.800 0.066 0.000 1.106 466 F CA -0.513 57.482 58.000 -0.008 0.000 1.313 466 F CB 0.254 39.231 39.000 -0.038 0.000 1.007 466 F HN 0.298 nan 8.300 nan 0.000 0.536 467 L N 1.241 122.518 121.223 0.089 0.000 2.499 467 L HA -0.007 4.332 4.340 -0.002 0.000 0.281 467 L C 0.171 177.091 176.870 0.082 0.000 1.234 467 L CA -0.513 54.318 54.840 -0.016 0.000 0.839 467 L CB 0.314 42.247 42.059 -0.210 0.000 1.104 467 L HN 0.072 nan 8.230 nan 0.000 0.500 468 L N 4.886 126.044 121.223 -0.108 0.000 2.315 468 L HA 0.341 4.680 4.340 -0.002 0.000 0.283 468 L C -2.250 174.499 176.870 -0.202 0.000 1.089 468 L CA -1.274 53.348 54.840 -0.363 0.000 0.833 468 L CB 0.341 42.027 42.059 -0.621 0.000 1.170 468 L HN 0.252 nan 8.230 nan 0.000 0.442 469 P HA 0.173 nan 4.420 nan 0.000 0.271 469 P C -0.714 176.502 177.300 -0.141 0.000 1.220 469 P CA 0.024 63.057 63.100 -0.111 0.000 0.768 469 P CB 0.558 32.202 31.700 -0.093 0.000 0.848 470 M N 2.342 121.889 119.600 -0.088 0.000 2.318 470 M HA 0.325 4.803 4.480 -0.002 0.000 0.347 470 M C 1.222 177.480 176.300 -0.069 0.000 1.175 470 M CA -0.650 54.574 55.300 -0.126 0.000 1.075 470 M CB 1.352 33.905 32.600 -0.079 0.000 1.614 470 M HN 0.390 nan 8.290 nan 0.000 0.456 471 A N 3.359 125.994 122.820 -0.309 0.000 2.014 471 A HA 0.117 4.436 4.320 -0.002 0.000 0.218 471 A C 0.540 178.108 177.584 -0.027 0.000 1.163 471 A CA 0.971 52.855 52.037 -0.255 0.000 0.652 471 A CB -0.104 18.568 19.000 -0.547 0.000 0.808 471 A HN 0.698 nan 8.150 nan 0.000 0.449 472 F N -2.588 117.274 119.950 -0.147 0.000 2.492 472 F HA 0.556 5.082 4.527 -0.002 0.000 0.327 472 F C 1.394 176.889 175.800 -0.508 0.000 1.079 472 F CA -0.757 57.002 58.000 -0.401 0.000 0.967 472 F CB 1.743 40.408 39.000 -0.560 0.000 1.169 472 F HN 0.051 nan 8.300 nan 0.000 0.472 473 A N 1.115 123.519 122.820 -0.693 0.000 1.969 473 A HA -0.140 4.179 4.320 -0.002 0.000 0.218 473 A C 1.955 179.402 177.584 -0.228 0.000 1.169 473 A CA 1.571 53.174 52.037 -0.722 0.000 0.635 473 A CB -0.547 18.153 19.000 -0.500 0.000 0.810 473 A HN 0.800 nan 8.150 nan 0.000 0.445 474 E N 0.080 120.266 120.200 -0.024 0.000 2.489 474 E HA 0.257 4.606 4.350 -0.002 0.000 0.193 474 E C 1.170 177.801 176.600 0.051 0.000 1.057 474 E CA 0.927 57.369 56.400 0.070 0.000 0.866 474 E CB -0.899 28.884 29.700 0.137 0.000 0.916 474 E HN 0.752 nan 8.360 nan 0.000 0.500 475 G N 1.957 110.772 108.800 0.027 0.000 2.583 475 G HA2 -0.393 3.566 3.960 -0.002 0.000 0.292 475 G HA3 -0.393 3.566 3.960 -0.002 0.000 0.292 475 G C 0.184 175.120 174.900 0.060 0.000 1.203 475 G CA 1.302 46.401 45.100 -0.001 0.000 0.987 475 G HN 0.861 nan 8.290 nan 0.000 0.554 476 S N 2.062 117.762 115.700 0.000 0.000 2.593 476 S HA 0.590 5.059 4.470 -0.002 0.000 0.269 476 S C -1.859 172.773 174.600 0.053 0.000 1.334 476 S CA -0.108 58.083 58.200 -0.014 0.000 1.015 476 S CB 1.478 64.622 63.200 -0.092 0.000 0.912 476 S HN 0.662 nan 8.310 nan 0.000 0.541 477 P HA 0.118 nan 4.420 nan 0.000 0.271 477 P C -0.487 176.855 177.300 0.069 0.000 1.238 477 P CA -0.265 62.851 63.100 0.026 0.000 0.794 477 P CB 0.123 31.738 31.700 -0.142 0.000 0.959 478 F N 1.664 121.682 119.950 0.112 0.000 2.705 478 F HA 0.161 4.687 4.527 -0.002 0.000 0.355 478 F C 0.564 176.694 175.800 0.551 0.000 1.172 478 F CA 0.498 58.709 58.000 0.351 0.000 1.332 478 F CB -1.215 37.942 39.000 0.261 0.000 1.621 478 F HN 0.311 nan 8.300 nan 0.000 0.605 479 H N -1.557 117.594 119.070 0.135 0.000 3.068 479 H HA 0.508 5.062 4.556 -0.002 0.000 0.342 479 H C -3.235 171.421 175.328 -1.121 0.000 1.284 479 H CA -2.695 53.076 56.048 -0.461 0.000 1.181 479 H CB 0.589 30.341 29.762 -0.016 0.000 1.898 479 H HN -0.171 nan 8.280 nan 0.000 0.540 480 P HA -0.025 nan 4.420 nan 0.000 0.271 480 P C 0.631 177.802 177.300 -0.214 0.000 1.238 480 P CA 0.010 62.589 63.100 -0.869 0.000 0.794 480 P CB 0.768 32.097 31.700 -0.618 0.000 0.959 481 S N -0.159 115.560 115.700 0.032 0.000 2.461 481 S HA -0.043 4.426 4.470 -0.002 0.000 0.228 481 S C 0.035 174.894 174.600 0.431 0.000 1.005 481 S CA 0.511 58.853 58.200 0.237 0.000 0.942 481 S CB -0.466 62.930 63.200 0.326 0.000 0.776 481 S HN 0.470 nan 8.310 nan 0.000 0.514 482 Y N 0.973 121.350 120.300 0.128 0.000 2.349 482 Y HA 0.593 5.142 4.550 -0.002 0.000 0.324 482 Y C 0.380 176.280 175.900 -0.000 0.000 1.005 482 Y CA -0.825 57.306 58.100 0.053 0.000 1.240 482 Y CB 0.576 39.025 38.460 -0.018 0.000 1.117 482 Y HN 0.080 nan 8.280 nan 0.000 0.463 483 G N 1.604 110.206 108.800 -0.331 0.000 2.630 483 G HA2 0.347 4.306 3.960 -0.002 0.000 0.223 483 G HA3 0.347 4.306 3.960 -0.002 0.000 0.223 483 G C -0.901 173.930 174.900 -0.116 0.000 1.434 483 G CA -0.626 44.250 45.100 -0.372 0.000 1.057 483 G HN 0.534 nan 8.290 nan 0.000 0.570 484 S N -1.429 114.137 115.700 -0.222 0.000 2.454 484 S HA 0.517 4.986 4.470 -0.002 0.000 0.306 484 S C 1.310 175.912 174.600 0.004 0.000 1.100 484 S CA 0.234 58.321 58.200 -0.190 0.000 1.087 484 S CB 1.216 64.049 63.200 -0.612 0.000 1.019 484 S HN 0.863 nan 8.310 nan 0.000 0.480 485 G N 2.629 111.524 108.800 0.159 0.000 2.421 485 G HA2 -0.174 3.785 3.960 -0.002 0.000 0.216 485 G HA3 -0.174 3.785 3.960 -0.002 0.000 0.216 485 G C 1.046 175.993 174.900 0.079 0.000 1.171 485 G CA 1.020 46.183 45.100 0.106 0.000 0.775 485 G HN 0.873 nan 8.290 nan 0.000 0.543 486 H N 0.783 119.931 119.070 0.130 0.000 2.289 486 H HA 0.035 4.590 4.556 -0.002 0.000 0.296 486 H C 2.870 178.253 175.328 0.092 0.000 1.091 486 H CA 1.903 58.038 56.048 0.145 0.000 1.274 486 H CB -0.190 29.682 29.762 0.184 0.000 1.364 486 H HN 0.402 nan 8.280 nan 0.000 0.490 487 A N -0.092 122.799 122.820 0.119 0.000 2.014 487 A HA -0.070 4.248 4.320 -0.002 0.000 0.218 487 A C 2.553 180.118 177.584 -0.031 0.000 1.163 487 A CA 1.263 53.308 52.037 0.013 0.000 0.652 487 A CB -0.722 18.226 19.000 -0.086 0.000 0.808 487 A HN 0.317 nan 8.150 nan 0.000 0.449 488 V N -0.470 119.423 119.914 -0.034 0.000 2.379 488 V HA -0.160 3.958 4.120 -0.002 0.000 0.245 488 V C 2.462 178.535 176.094 -0.035 0.000 1.044 488 V CA 2.073 64.346 62.300 -0.044 0.000 1.036 488 V CB -0.140 31.656 31.823 -0.045 0.000 0.664 488 V HN 0.339 nan 8.190 nan 0.000 0.453 489 V N 0.280 120.185 119.914 -0.016 0.000 2.427 489 V HA -0.175 3.944 4.120 -0.002 0.000 0.248 489 V C 2.716 178.712 176.094 -0.163 0.000 1.051 489 V CA 1.827 64.115 62.300 -0.022 0.000 1.048 489 V CB -1.036 30.818 31.823 0.051 0.000 0.666 489 V HN 0.608 nan 8.190 nan 0.000 0.456 490 A N 0.691 123.421 122.820 -0.150 0.000 1.865 490 A HA -0.141 4.178 4.320 -0.002 0.000 0.217 490 A C 2.453 179.888 177.584 -0.249 0.000 1.191 490 A CA 2.131 53.946 52.037 -0.369 0.000 0.623 490 A CB -1.386 17.623 19.000 0.015 0.000 0.826 490 A HN 0.515 nan 8.150 nan 0.000 0.444 491 G N -0.601 108.165 108.800 -0.057 0.000 2.446 491 G HA2 -0.049 3.909 3.960 -0.002 0.000 0.217 491 G HA3 -0.049 3.909 3.960 -0.002 0.000 0.217 491 G C 1.777 176.694 174.900 0.030 0.000 1.168 491 G CA 1.798 46.972 45.100 0.123 0.000 0.771 491 G HN 0.851 nan 8.290 nan 0.000 0.551 492 A N -0.003 122.782 122.820 -0.058 0.000 1.858 492 A HA -0.088 4.231 4.320 -0.002 0.000 0.216 492 A C 2.634 180.149 177.584 -0.116 0.000 1.190 492 A CA 1.897 53.886 52.037 -0.079 0.000 0.617 492 A CB -1.102 17.862 19.000 -0.060 0.000 0.827 492 A HN 0.434 nan 8.150 nan 0.000 0.443 493 C N -0.802 118.380 119.300 -0.196 0.000 2.432 493 C HA -0.065 4.394 4.460 -0.002 0.000 0.277 493 C C 2.892 177.793 174.990 -0.148 0.000 1.249 493 C CA 1.258 60.152 59.018 -0.206 0.000 1.725 493 C CB -1.310 26.199 27.740 -0.385 0.000 2.028 493 C HN 0.665 nan 8.230 nan 0.000 0.477 494 V N -0.768 119.039 119.914 -0.179 0.000 2.667 494 V HA -0.123 3.995 4.120 -0.002 0.000 0.252 494 V C 2.049 178.141 176.094 -0.003 0.000 1.065 494 V CA 2.532 64.825 62.300 -0.011 0.000 1.083 494 V CB -1.559 30.318 31.823 0.091 0.000 0.692 494 V HN 0.507 nan 8.190 nan 0.000 0.468 495 T N 1.631 116.140 114.554 -0.075 0.000 2.684 495 T HA -0.114 4.235 4.350 -0.002 0.000 0.267 495 T C 1.921 176.570 174.700 -0.084 0.000 1.036 495 T CA 2.281 64.293 62.100 -0.147 0.000 1.148 495 T CB -0.352 68.392 68.868 -0.206 0.000 0.863 495 T HN 0.396 nan 8.240 nan 0.000 0.436 496 I N 1.104 121.630 120.570 -0.074 0.000 2.163 496 I HA -0.119 4.050 4.170 -0.002 0.000 0.243 496 I C 2.349 178.504 176.117 0.064 0.000 1.085 496 I CA 1.483 62.748 61.300 -0.059 0.000 1.347 496 I CB -1.299 36.656 38.000 -0.075 0.000 1.044 496 I HN 0.295 nan 8.210 nan 0.000 0.408 497 L N 0.073 121.363 121.223 0.111 0.000 2.072 497 L HA -0.164 4.174 4.340 -0.002 0.000 0.205 497 L C 2.541 179.604 176.870 0.320 0.000 1.079 497 L CA 1.126 56.125 54.840 0.266 0.000 0.752 497 L CB -0.647 41.521 42.059 0.182 0.000 0.906 497 L HN 0.167 nan 8.230 nan 0.000 0.436 498 K N 0.479 120.987 120.400 0.180 0.000 2.063 498 K HA -0.179 4.140 4.320 -0.002 0.000 0.208 498 K C 2.249 178.964 176.600 0.193 0.000 1.048 498 K CA 1.566 57.954 56.287 0.168 0.000 0.928 498 K CB -0.301 32.251 32.500 0.086 0.000 0.713 498 K HN 0.305 nan 8.250 nan 0.000 0.442 499 A N 0.541 123.450 122.820 0.148 0.000 1.929 499 A HA -0.114 4.205 4.320 -0.002 0.000 0.216 499 A C 1.956 179.719 177.584 0.299 0.000 1.176 499 A CA 0.968 53.105 52.037 0.166 0.000 0.628 499 A CB -0.527 18.480 19.000 0.012 0.000 0.816 499 A HN 0.299 nan 8.150 nan 0.000 0.444 500 F N -1.288 118.758 119.950 0.160 0.000 2.234 500 F HA 0.212 4.737 4.527 -0.002 0.000 0.296 500 F C 0.449 176.283 175.800 0.057 0.000 1.089 500 F CA 0.355 58.434 58.000 0.131 0.000 1.343 500 F CB 0.093 39.049 39.000 -0.073 0.000 1.040 500 F HN 0.113 nan 8.300 nan 0.000 0.498 501 F N 0.153 120.372 119.950 0.448 0.000 2.380 501 F HA 0.166 4.692 4.527 -0.002 0.000 0.321 501 F C 0.498 176.419 175.800 0.203 0.000 1.103 501 F CA -0.884 57.331 58.000 0.359 0.000 1.067 501 F CB 0.174 39.323 39.000 0.249 0.000 1.265 501 F HN -0.335 nan 8.300 nan 0.000 0.517 502 D N 0.518 121.132 120.400 0.356 0.000 2.455 502 D HA 0.010 4.649 4.640 -0.002 0.000 0.234 502 D C 1.100 177.525 176.300 0.209 0.000 1.224 502 D CA 0.153 54.280 54.000 0.212 0.000 0.999 502 D CB 0.221 41.109 40.800 0.147 0.000 1.072 502 D HN 0.510 nan 8.370 nan 0.000 0.514 503 S N 1.291 117.113 115.700 0.203 0.000 2.507 503 S HA -0.054 4.415 4.470 -0.002 0.000 0.235 503 S C 1.935 176.614 174.600 0.131 0.000 0.988 503 S CA 0.473 58.778 58.200 0.174 0.000 0.944 503 S CB 0.021 63.322 63.200 0.168 0.000 0.762 503 S HN 0.379 nan 8.310 nan 0.000 0.526 504 G N 1.242 110.111 108.800 0.115 0.000 2.744 504 G HA2 0.206 4.164 3.960 -0.002 0.000 0.211 504 G HA3 0.206 4.164 3.960 -0.002 0.000 0.211 504 G C 0.524 175.476 174.900 0.088 0.000 1.143 504 G CA -0.362 44.795 45.100 0.094 0.000 0.788 504 G HN 0.449 nan 8.290 nan 0.000 0.534 505 I N 1.571 122.199 120.570 0.096 0.000 2.752 505 I HA 0.010 4.178 4.170 -0.002 0.000 0.289 505 I C 0.260 176.426 176.117 0.082 0.000 1.197 505 I CA 0.371 61.722 61.300 0.085 0.000 1.432 505 I CB 0.235 38.289 38.000 0.091 0.000 1.359 505 I HN 0.237 nan 8.210 nan 0.000 0.571 506 E N 5.323 125.564 120.200 0.069 0.000 2.283 506 E HA 0.317 4.666 4.350 -0.002 0.000 0.278 506 E C -0.462 176.176 176.600 0.064 0.000 1.027 506 E CA -0.801 55.638 56.400 0.065 0.000 0.843 506 E CB 1.410 31.142 29.700 0.055 0.000 1.062 506 E HN 0.315 nan 8.360 nan 0.000 0.401 507 I N 2.928 123.534 120.570 0.059 0.000 2.556 507 I HA -0.123 4.046 4.170 -0.002 0.000 0.284 507 I C 1.363 177.503 176.117 0.039 0.000 1.114 507 I CA 0.660 61.990 61.300 0.049 0.000 1.418 507 I CB 0.450 38.459 38.000 0.015 0.000 1.394 507 I HN 0.626 nan 8.210 nan 0.000 0.552 508 D N 3.114 123.539 120.400 0.042 0.000 2.106 508 D HA -0.089 4.550 4.640 -0.002 0.000 0.203 508 D C 0.566 176.854 176.300 -0.020 0.000 0.977 508 D CA 1.115 55.131 54.000 0.026 0.000 0.844 508 D CB 0.416 41.246 40.800 0.050 0.000 1.002 508 D HN 0.535 nan 8.370 nan 0.000 0.461 509 Q N 0.270 120.044 119.800 -0.043 0.000 2.333 509 Q HA 0.442 4.781 4.340 -0.002 0.000 0.267 509 Q C -1.486 174.290 176.000 -0.374 0.000 1.012 509 Q CA -0.575 55.088 55.803 -0.234 0.000 0.824 509 Q CB 2.189 30.753 28.738 -0.291 0.000 1.290 509 Q HN -0.188 nan 8.270 nan 0.000 0.449 510 V N 5.316 124.980 119.914 -0.417 0.000 2.427 510 V HA 0.557 4.675 4.120 -0.002 0.000 0.286 510 V C -0.603 175.185 176.094 -0.510 0.000 1.034 510 V CA -0.338 61.780 62.300 -0.303 0.000 0.893 510 V CB 0.617 32.401 31.823 -0.065 0.000 0.982 510 V HN 0.705 nan 8.190 nan 0.000 0.452 511 F N 2.392 122.347 119.950 0.008 0.000 2.575 511 F HA 0.741 5.266 4.527 -0.002 0.000 0.330 511 F C 0.427 176.225 175.800 -0.004 0.000 1.056 511 F CA -0.664 57.347 58.000 0.018 0.000 0.964 511 F CB 1.930 40.958 39.000 0.046 0.000 1.258 511 F HN 0.599 nan 8.300 nan 0.000 0.484 512 E N -0.935 119.408 120.200 0.238 0.000 2.458 512 E HA 0.589 4.938 4.350 -0.002 0.000 0.278 512 E C -1.887 174.793 176.600 0.133 0.000 1.004 512 E CA -1.163 55.316 56.400 0.132 0.000 0.823 512 E CB 1.991 31.736 29.700 0.076 0.000 1.396 512 E HN 0.214 nan 8.360 nan 0.000 0.463 513 V N 1.296 121.270 119.914 0.100 0.000 2.555 513 V HA 0.022 4.141 4.120 -0.002 0.000 0.286 513 V C 0.099 176.250 176.094 0.095 0.000 1.044 513 V CA 0.009 62.367 62.300 0.097 0.000 1.026 513 V CB 0.763 32.647 31.823 0.102 0.000 0.981 513 V HN 0.729 nan 8.190 nan 0.000 0.480 514 D N 3.519 123.971 120.400 0.087 0.000 2.455 514 D HA 0.032 4.671 4.640 -0.002 0.000 0.241 514 D C 1.147 177.490 176.300 0.073 0.000 1.138 514 D CA 0.228 54.274 54.000 0.077 0.000 0.877 514 D CB 0.739 41.579 40.800 0.067 0.000 1.187 514 D HN 0.503 nan 8.370 nan 0.000 0.451 515 K N 1.651 122.092 120.400 0.069 0.000 2.147 515 K HA -0.108 4.211 4.320 -0.002 0.000 0.205 515 K C 0.498 177.131 176.600 0.055 0.000 1.049 515 K CA 1.173 57.499 56.287 0.065 0.000 0.936 515 K CB 0.194 32.730 32.500 0.061 0.000 0.722 515 K HN 0.507 nan 8.250 nan 0.000 0.446 516 D N -0.521 119.909 120.400 0.050 0.000 2.455 516 D HA 0.080 4.719 4.640 -0.002 0.000 0.228 516 D C 0.093 176.418 176.300 0.041 0.000 1.070 516 D CA 0.464 54.489 54.000 0.041 0.000 0.881 516 D CB 0.690 41.511 40.800 0.036 0.000 1.087 516 D HN 0.130 nan 8.370 nan 0.000 0.498 517 E N 0.274 120.501 120.200 0.045 0.000 2.320 517 E HA 0.203 4.551 4.350 -0.002 0.000 0.264 517 E C -1.119 175.511 176.600 0.051 0.000 0.923 517 E CA -0.682 55.745 56.400 0.044 0.000 0.796 517 E CB 1.933 31.657 29.700 0.040 0.000 1.262 517 E HN -0.261 nan 8.360 nan 0.000 0.428 518 D N 2.059 122.489 120.400 0.049 0.000 2.608 518 D HA 0.066 4.704 4.640 -0.002 0.000 0.224 518 D C -1.046 175.283 176.300 0.050 0.000 1.123 518 D CA 0.176 54.208 54.000 0.054 0.000 1.030 518 D CB -0.393 40.439 40.800 0.053 0.000 1.093 518 D HN 0.361 nan 8.370 nan 0.000 0.497 519 K N 0.629 121.060 120.400 0.051 0.000 2.578 519 K HA 0.389 4.708 4.320 -0.002 0.000 0.287 519 K C -1.323 175.306 176.600 0.049 0.000 1.010 519 K CA -0.993 55.320 56.287 0.044 0.000 0.889 519 K CB 0.600 33.125 32.500 0.040 0.000 1.514 519 K HN 0.019 nan 8.250 nan 0.000 0.424 520 L N 1.977 123.218 121.223 0.030 0.000 2.312 520 L HA 0.515 4.854 4.340 -0.002 0.000 0.281 520 L C -0.056 176.870 176.870 0.094 0.000 1.070 520 L CA -1.020 53.843 54.840 0.039 0.000 0.805 520 L CB 1.556 43.559 42.059 -0.093 0.000 1.174 520 L HN 0.563 nan 8.230 nan 0.000 0.434 521 V N -0.085 119.938 119.914 0.181 0.000 2.960 521 V HA 0.504 4.623 4.120 -0.002 0.000 0.315 521 V C -0.349 175.951 176.094 0.344 0.000 1.087 521 V CA -1.348 61.083 62.300 0.219 0.000 0.982 521 V CB 1.724 33.623 31.823 0.126 0.000 1.039 521 V HN 0.605 nan 8.190 nan 0.000 0.437 522 K N 2.092 122.637 120.400 0.241 0.000 2.416 522 K HA 0.319 4.638 4.320 -0.002 0.000 0.283 522 K C 0.492 177.097 176.600 0.009 0.000 1.037 522 K CA 0.387 56.691 56.287 0.029 0.000 0.995 522 K CB 0.848 33.319 32.500 -0.049 0.000 0.938 522 K HN 0.902 nan 8.250 nan 0.000 0.475 523 S N 1.411 117.088 115.700 -0.039 0.000 2.585 523 S HA 0.002 4.471 4.470 -0.002 0.000 0.273 523 S C 1.058 175.674 174.600 0.026 0.000 1.339 523 S CA -0.421 57.792 58.200 0.021 0.000 1.028 523 S CB 0.711 63.930 63.200 0.032 0.000 0.906 523 S HN 0.649 nan 8.310 nan 0.000 0.528 524 S N 4.120 119.853 115.700 0.055 0.000 2.605 524 S HA 0.149 4.618 4.470 -0.002 0.000 0.217 524 S C 0.238 174.873 174.600 0.058 0.000 0.958 524 S CA -0.599 57.623 58.200 0.037 0.000 0.919 524 S CB -0.602 62.618 63.200 0.033 0.000 0.780 524 S HN 0.668 nan 8.310 nan 0.000 0.507 525 F N 3.292 123.218 119.950 -0.041 0.000 2.608 525 F HA 0.285 4.811 4.527 -0.002 0.000 0.380 525 F C 1.087 176.861 175.800 -0.043 0.000 1.083 525 F CA -0.197 57.781 58.000 -0.038 0.000 1.266 525 F CB 0.674 39.647 39.000 -0.045 0.000 1.076 525 F HN -0.073 nan 8.300 nan 0.000 0.574 526 K N 4.444 124.327 120.400 -0.863 0.000 2.354 526 K HA 0.200 4.519 4.320 -0.002 0.000 0.194 526 K C 1.065 177.187 176.600 -0.796 0.000 1.038 526 K CA 0.514 56.413 56.287 -0.647 0.000 1.052 526 K CB 0.437 32.735 32.500 -0.336 0.000 0.861 526 K HN 0.825 nan 8.250 nan 0.000 0.535 527 G N 0.626 108.524 108.800 -1.503 0.000 2.666 527 G HA2 0.186 4.144 3.960 -0.002 0.000 0.207 527 G HA3 0.186 4.144 3.960 -0.002 0.000 0.207 527 G C -0.590 174.159 174.900 -0.251 0.000 1.481 527 G CA -0.045 44.640 45.100 -0.691 0.000 1.071 527 G HN 0.004 nan 8.290 nan 0.000 0.572 528 T N 0.297 114.921 114.554 0.118 0.000 2.881 528 T HA 0.551 4.900 4.350 -0.002 0.000 0.290 528 T C -0.515 174.325 174.700 0.234 0.000 1.000 528 T CA -0.185 62.019 62.100 0.174 0.000 0.978 528 T CB 1.332 70.243 68.868 0.071 0.000 0.997 528 T HN 0.293 nan 8.240 nan 0.000 0.443 529 L N 2.856 124.188 121.223 0.182 0.000 2.330 529 L HA 0.764 5.103 4.340 -0.002 0.000 0.271 529 L C 0.703 177.613 176.870 0.066 0.000 1.013 529 L CA -0.989 53.902 54.840 0.084 0.000 0.816 529 L CB 2.026 44.084 42.059 -0.000 0.000 1.287 529 L HN 0.716 nan 8.230 nan 0.000 0.435 530 T N -2.191 112.400 114.554 0.061 0.000 2.932 530 T HA 0.392 4.740 4.350 -0.002 0.000 0.289 530 T C 1.021 175.779 174.700 0.097 0.000 1.039 530 T CA -0.791 61.356 62.100 0.079 0.000 1.024 530 T CB 1.924 70.842 68.868 0.084 0.000 1.090 530 T HN 0.169 nan 8.240 nan 0.000 0.496 531 V N 1.703 121.694 119.914 0.130 0.000 2.231 531 V HA -0.216 3.903 4.120 -0.002 0.000 0.250 531 V C 3.155 179.360 176.094 0.185 0.000 1.058 531 V CA 2.762 65.176 62.300 0.189 0.000 1.022 531 V CB -1.614 30.291 31.823 0.137 0.000 0.640 531 V HN 1.111 nan 8.190 nan 0.000 0.445 532 A N 0.339 123.245 122.820 0.144 0.000 1.903 532 A HA -0.209 4.110 4.320 -0.002 0.000 0.219 532 A C 2.420 180.089 177.584 0.142 0.000 1.191 532 A CA 2.379 54.501 52.037 0.142 0.000 0.638 532 A CB -1.381 17.694 19.000 0.125 0.000 0.823 532 A HN 0.595 nan 8.150 nan 0.000 0.451 533 G N -1.020 107.847 108.800 0.112 0.000 2.422 533 G HA2 -0.162 3.797 3.960 -0.002 0.000 0.218 533 G HA3 -0.162 3.797 3.960 -0.002 0.000 0.218 533 G C 1.384 176.322 174.900 0.062 0.000 1.146 533 G CA 0.939 46.087 45.100 0.080 0.000 0.769 533 G HN 0.485 nan 8.290 nan 0.000 0.547 534 E N 0.183 120.428 120.200 0.076 0.000 2.285 534 E HA 0.073 4.421 4.350 -0.002 0.000 0.194 534 E C 2.631 179.356 176.600 0.208 0.000 0.997 534 E CA 0.124 56.550 56.400 0.044 0.000 0.845 534 E CB -0.043 29.590 29.700 -0.113 0.000 0.782 534 E HN 0.440 nan 8.360 nan 0.000 0.491 535 L N 0.936 122.322 121.223 0.272 0.000 2.044 535 L HA -0.156 4.183 4.340 -0.002 0.000 0.205 535 L C 2.046 179.035 176.870 0.198 0.000 1.075 535 L CA 0.835 55.822 54.840 0.245 0.000 0.747 535 L CB -0.448 41.718 42.059 0.179 0.000 0.903 535 L HN 0.043 nan 8.230 nan 0.000 0.435 536 N N 0.394 119.204 118.700 0.182 0.000 2.094 536 N HA -0.244 4.495 4.740 -0.002 0.000 0.191 536 N C 1.730 177.273 175.510 0.055 0.000 1.023 536 N CA 1.346 54.487 53.050 0.151 0.000 0.857 536 N CB -0.232 38.349 38.487 0.158 0.000 1.013 536 N HN 0.270 nan 8.380 nan 0.000 0.426 537 K N 0.257 120.672 120.400 0.025 0.000 2.057 537 K HA -0.089 4.229 4.320 -0.002 0.000 0.207 537 K C 1.928 178.502 176.600 -0.044 0.000 1.049 537 K CA 0.677 56.928 56.287 -0.060 0.000 0.931 537 K CB -0.195 32.236 32.500 -0.115 0.000 0.714 537 K HN 0.026 nan 8.250 nan 0.000 0.440 538 L N 1.035 122.281 121.223 0.037 0.000 2.017 538 L HA -0.122 4.217 4.340 -0.002 0.000 0.208 538 L C 2.198 179.141 176.870 0.122 0.000 1.073 538 L CA 2.096 56.975 54.840 0.065 0.000 0.745 538 L CB -0.744 41.418 42.059 0.171 0.000 0.894 538 L HN 0.221 nan 8.230 nan 0.000 0.432 539 A N -1.041 121.878 122.820 0.165 0.000 1.908 539 A HA -0.241 4.078 4.320 -0.002 0.000 0.218 539 A C 2.087 179.708 177.584 0.060 0.000 1.181 539 A CA 1.996 54.124 52.037 0.151 0.000 0.627 539 A CB -0.836 18.199 19.000 0.059 0.000 0.818 539 A HN 0.529 nan 8.150 nan 0.000 0.445 540 D N -0.455 119.942 120.400 -0.005 0.000 2.178 540 D HA -0.088 4.551 4.640 -0.002 0.000 0.202 540 D C 1.773 178.075 176.300 0.003 0.000 0.974 540 D CA 1.003 54.988 54.000 -0.025 0.000 0.841 540 D CB -0.456 40.308 40.800 -0.060 0.000 0.953 540 D HN 0.644 nan 8.370 nan 0.000 0.478 541 N N 0.057 118.743 118.700 -0.024 0.000 2.025 541 N HA -0.162 4.577 4.740 -0.002 0.000 0.194 541 N C 1.744 177.284 175.510 0.049 0.000 1.044 541 N CA 0.764 53.812 53.050 -0.004 0.000 0.851 541 N CB -0.006 38.422 38.487 -0.099 0.000 1.036 541 N HN 0.030 nan 8.380 nan 0.000 0.422 542 I N 1.233 121.835 120.570 0.054 0.000 2.226 542 I HA -0.204 3.965 4.170 -0.002 0.000 0.245 542 I C 2.326 178.540 176.117 0.160 0.000 1.100 542 I CA 0.822 62.202 61.300 0.132 0.000 1.374 542 I CB -0.644 37.500 38.000 0.240 0.000 1.057 542 I HN 0.132 nan 8.210 nan 0.000 0.413 543 A N 0.422 123.322 122.820 0.132 0.000 1.877 543 A HA -0.165 4.153 4.320 -0.002 0.000 0.216 543 A C 2.193 179.828 177.584 0.086 0.000 1.186 543 A CA 1.544 53.634 52.037 0.088 0.000 0.620 543 A CB -0.728 18.282 19.000 0.016 0.000 0.822 543 A HN 0.321 nan 8.150 nan 0.000 0.443 544 I N 0.124 120.761 120.570 0.112 0.000 2.546 544 I HA -0.117 4.052 4.170 -0.002 0.000 0.255 544 I C 2.610 178.820 176.117 0.156 0.000 1.163 544 I CA 1.116 62.513 61.300 0.161 0.000 1.457 544 I CB -2.049 36.104 38.000 0.254 0.000 1.092 544 I HN 0.343 nan 8.210 nan 0.000 0.434 545 G N 1.760 110.653 108.800 0.155 0.000 2.469 545 G HA2 -0.267 3.692 3.960 -0.002 0.000 0.219 545 G HA3 -0.267 3.692 3.960 -0.002 0.000 0.219 545 G C 1.783 176.737 174.900 0.090 0.000 1.150 545 G CA 0.421 45.610 45.100 0.147 0.000 0.763 545 G HN 0.250 nan 8.290 nan 0.000 0.561 546 R N 0.715 121.259 120.500 0.074 0.000 2.081 546 R HA -0.046 4.292 4.340 -0.002 0.000 0.235 546 R C 2.323 178.629 176.300 0.009 0.000 1.131 546 R CA 1.293 57.424 56.100 0.051 0.000 0.960 546 R CB -1.038 29.344 30.300 0.137 0.000 0.856 546 R HN 0.326 nan 8.270 nan 0.000 0.436 547 N N 1.020 119.749 118.700 0.047 0.000 2.104 547 N HA -0.112 4.627 4.740 -0.002 0.000 0.190 547 N C 1.854 177.314 175.510 -0.083 0.000 1.024 547 N CA 1.404 54.457 53.050 0.005 0.000 0.853 547 N CB -0.331 38.207 38.487 0.085 0.000 1.008 547 N HN 0.203 nan 8.380 nan 0.000 0.424 548 M N 0.014 119.578 119.600 -0.060 0.000 2.279 548 M HA -0.012 4.466 4.480 -0.002 0.000 0.264 548 M C 1.831 178.020 176.300 -0.186 0.000 1.062 548 M CA 1.075 56.304 55.300 -0.119 0.000 1.099 548 M CB -0.079 32.502 32.600 -0.032 0.000 1.394 548 M HN 0.181 nan 8.290 nan 0.000 0.426 549 A N -0.436 122.245 122.820 -0.232 0.000 2.067 549 A HA 0.289 4.607 4.320 -0.002 0.000 0.217 549 A C 1.756 179.033 177.584 -0.512 0.000 1.156 549 A CA 1.107 52.846 52.037 -0.497 0.000 0.683 549 A CB -0.569 18.013 19.000 -0.696 0.000 0.808 549 A HN 0.617 nan 8.150 nan 0.000 0.455 550 G N -1.833 106.760 108.800 -0.345 0.000 2.144 550 G HA2 -0.163 3.796 3.960 -0.002 0.000 0.218 550 G HA3 -0.163 3.796 3.960 -0.002 0.000 0.218 550 G C 0.814 175.519 174.900 -0.325 0.000 0.988 550 G CA 0.647 45.552 45.100 -0.326 0.000 0.659 550 G HN 1.618 nan 8.290 nan 0.000 0.522 551 V N -3.698 116.036 119.914 -0.301 0.000 3.605 551 V HA 0.543 4.662 4.120 -0.002 0.000 0.284 551 V C 0.572 176.385 176.094 -0.469 0.000 1.386 551 V CA 0.489 62.585 62.300 -0.339 0.000 1.053 551 V CB 0.059 31.724 31.823 -0.263 0.000 0.857 551 V HN 0.388 nan 8.190 nan 0.000 0.436 552 H N -0.745 118.213 119.070 -0.187 0.000 2.928 552 H HA 0.594 5.149 4.556 -0.002 0.000 0.371 552 H C -1.565 173.671 175.328 -0.153 0.000 1.186 552 H CA -0.486 55.479 56.048 -0.137 0.000 1.134 552 H CB 1.994 31.761 29.762 0.008 0.000 1.824 552 H HN 0.258 nan 8.280 nan 0.000 0.554 553 Y N -0.098 120.340 120.300 0.229 0.000 2.432 553 Y HA 0.068 4.617 4.550 -0.002 0.000 0.322 553 Y C 1.592 177.618 175.900 0.210 0.000 1.246 553 Y CA -0.757 57.454 58.100 0.184 0.000 1.268 553 Y CB 0.603 39.150 38.460 0.144 0.000 1.276 553 Y HN 0.577 nan 8.280 nan 0.000 0.499 554 F N 1.400 121.518 119.950 0.280 0.000 2.063 554 F HA -0.348 4.178 4.527 -0.002 0.000 0.298 554 F C 2.474 178.412 175.800 0.230 0.000 1.109 554 F CA 2.522 60.655 58.000 0.223 0.000 1.212 554 F CB -0.502 38.617 39.000 0.199 0.000 0.973 554 F HN 0.574 nan 8.300 nan 0.000 0.480 555 S N -0.259 115.654 115.700 0.355 0.000 2.368 555 S HA -0.238 4.231 4.470 -0.002 0.000 0.225 555 S C 1.750 176.513 174.600 0.271 0.000 1.030 555 S CA 1.359 59.740 58.200 0.302 0.000 0.999 555 S CB -0.951 62.388 63.200 0.231 0.000 0.844 555 S HN 0.460 nan 8.310 nan 0.000 0.459 556 D N 1.723 122.308 120.400 0.309 0.000 2.149 556 D HA -0.134 4.505 4.640 -0.002 0.000 0.194 556 D C 2.281 178.514 176.300 -0.112 0.000 1.001 556 D CA 1.596 55.690 54.000 0.157 0.000 0.849 556 D CB -0.352 40.559 40.800 0.186 0.000 0.939 556 D HN 0.420 nan 8.370 nan 0.000 0.449 557 Q N -0.495 119.235 119.800 -0.116 0.000 2.033 557 Q HA -0.039 4.299 4.340 -0.002 0.000 0.196 557 Q C 2.193 178.081 176.000 -0.185 0.000 0.970 557 Q CA 0.502 56.190 55.803 -0.192 0.000 0.828 557 Q CB -0.977 27.647 28.738 -0.190 0.000 0.895 557 Q HN 0.348 nan 8.270 nan 0.000 0.440 558 F N 2.546 122.276 119.950 -0.366 0.000 2.095 558 F HA -0.181 4.345 4.527 -0.002 0.000 0.298 558 F C 1.933 177.644 175.800 -0.148 0.000 1.104 558 F CA 1.483 59.309 58.000 -0.289 0.000 1.232 558 F CB 0.077 38.912 39.000 -0.276 0.000 0.987 558 F HN 0.054 nan 8.300 nan 0.000 0.475 559 E N -0.219 119.881 120.200 -0.168 0.000 2.152 559 E HA -0.116 4.232 4.350 -0.002 0.000 0.192 559 E C 2.418 178.846 176.600 -0.285 0.000 0.983 559 E CA 1.143 57.405 56.400 -0.230 0.000 0.818 559 E CB -0.460 29.214 29.700 -0.044 0.000 0.758 559 E HN 0.376 nan 8.360 nan 0.000 0.467 560 S N 1.158 116.688 115.700 -0.283 0.000 2.368 560 S HA -0.054 4.414 4.470 -0.002 0.000 0.224 560 S C 2.173 176.660 174.600 -0.187 0.000 1.029 560 S CA 0.538 58.597 58.200 -0.236 0.000 0.988 560 S CB -0.204 62.859 63.200 -0.227 0.000 0.838 560 S HN 0.157 nan 8.310 nan 0.000 0.462 561 L N 1.364 122.448 121.223 -0.231 0.000 2.013 561 L HA -0.175 4.163 4.340 -0.002 0.000 0.212 561 L C 2.227 179.059 176.870 -0.063 0.000 1.073 561 L CA 1.246 55.969 54.840 -0.195 0.000 0.753 561 L CB -0.663 41.155 42.059 -0.401 0.000 0.890 561 L HN 0.308 nan 8.230 nan 0.000 0.432 562 L N -1.165 119.928 121.223 -0.216 0.000 2.093 562 L HA -0.220 4.119 4.340 -0.002 0.000 0.208 562 L C 2.544 179.384 176.870 -0.049 0.000 1.085 562 L CA 0.679 55.460 54.840 -0.099 0.000 0.755 562 L CB -0.454 41.459 42.059 -0.244 0.000 0.904 562 L HN 0.267 nan 8.230 nan 0.000 0.435 563 L N 0.352 121.525 121.223 -0.084 0.000 2.056 563 L HA -0.065 4.274 4.340 -0.002 0.000 0.207 563 L C 2.423 179.273 176.870 -0.033 0.000 1.078 563 L CA 2.013 56.821 54.840 -0.054 0.000 0.749 563 L CB -0.919 41.097 42.059 -0.072 0.000 0.901 563 L HN 0.127 nan 8.230 nan 0.000 0.433 564 G N -1.419 107.365 108.800 -0.028 0.000 2.422 564 G HA2 -0.307 3.651 3.960 -0.002 0.000 0.218 564 G HA3 -0.307 3.651 3.960 -0.002 0.000 0.218 564 G C 1.464 176.352 174.900 -0.021 0.000 1.146 564 G CA 0.739 45.828 45.100 -0.020 0.000 0.769 564 G HN 0.531 nan 8.290 nan 0.000 0.547 565 E N 0.281 120.484 120.200 0.006 0.000 2.070 565 E HA -0.252 4.097 4.350 -0.002 0.000 0.197 565 E C 2.470 179.021 176.600 -0.081 0.000 1.004 565 E CA 1.477 57.827 56.400 -0.084 0.000 0.805 565 E CB -0.193 29.419 29.700 -0.148 0.000 0.744 565 E HN 0.594 nan 8.360 nan 0.000 0.451 566 Q N -0.099 119.672 119.800 -0.047 0.000 2.096 566 Q HA -0.161 4.178 4.340 -0.002 0.000 0.204 566 Q C 2.370 178.347 176.000 -0.038 0.000 0.982 566 Q CA 1.842 57.622 55.803 -0.039 0.000 0.850 566 Q CB -0.001 28.724 28.738 -0.021 0.000 0.901 566 Q HN 0.223 nan 8.270 nan 0.000 0.422 567 V N 0.900 120.794 119.914 -0.034 0.000 2.295 567 V HA -0.299 3.820 4.120 -0.002 0.000 0.246 567 V C 2.247 178.317 176.094 -0.040 0.000 1.049 567 V CA 1.890 64.172 62.300 -0.030 0.000 1.024 567 V CB -1.039 30.770 31.823 -0.024 0.000 0.648 567 V HN 0.430 nan 8.190 nan 0.000 0.447 568 A N -0.196 122.590 122.820 -0.056 0.000 1.898 568 A HA -0.156 4.163 4.320 -0.002 0.000 0.216 568 A C 2.200 179.736 177.584 -0.080 0.000 1.181 568 A CA 1.817 53.810 52.037 -0.073 0.000 0.620 568 A CB -0.558 18.385 19.000 -0.094 0.000 0.819 568 A HN 0.488 nan 8.150 nan 0.000 0.442 569 I N -0.206 120.316 120.570 -0.080 0.000 2.151 569 I HA -0.269 3.900 4.170 -0.002 0.000 0.243 569 I C 2.709 178.802 176.117 -0.040 0.000 1.080 569 I CA 1.277 62.538 61.300 -0.066 0.000 1.339 569 I CB -0.653 37.309 38.000 -0.063 0.000 1.039 569 I HN 0.418 nan 8.210 nan 0.000 0.409 570 G N 1.016 109.796 108.800 -0.033 0.000 2.440 570 G HA2 -0.228 3.731 3.960 -0.002 0.000 0.218 570 G HA3 -0.228 3.731 3.960 -0.002 0.000 0.218 570 G C 1.683 176.576 174.900 -0.011 0.000 1.154 570 G CA 0.745 45.834 45.100 -0.019 0.000 0.767 570 G HN 0.336 nan 8.290 nan 0.000 0.552 571 I N 0.353 120.914 120.570 -0.016 0.000 2.226 571 I HA -0.143 4.026 4.170 -0.002 0.000 0.245 571 I C 2.722 178.849 176.117 0.017 0.000 1.100 571 I CA 0.694 61.992 61.300 -0.004 0.000 1.374 571 I CB -0.198 37.793 38.000 -0.014 0.000 1.057 571 I HN 0.131 nan 8.210 nan 0.000 0.413 572 L N 0.199 121.416 121.223 -0.010 0.000 2.046 572 L HA -0.224 4.114 4.340 -0.002 0.000 0.208 572 L C 2.491 179.418 176.870 0.095 0.000 1.077 572 L CA 1.508 56.361 54.840 0.022 0.000 0.747 572 L CB -0.608 41.396 42.059 -0.091 0.000 0.896 572 L HN 0.278 nan 8.230 nan 0.000 0.432 573 E N 0.001 120.231 120.200 0.049 0.000 2.047 573 E HA -0.226 4.123 4.350 -0.002 0.000 0.191 573 E C 2.105 178.736 176.600 0.051 0.000 0.987 573 E CA 1.238 57.667 56.400 0.047 0.000 0.799 573 E CB -0.013 29.696 29.700 0.015 0.000 0.752 573 E HN 0.513 nan 8.360 nan 0.000 0.449 574 E N 0.838 121.060 120.200 0.036 0.000 2.051 574 E HA -0.204 4.144 4.350 -0.002 0.000 0.192 574 E C 2.155 178.782 176.600 0.044 0.000 0.991 574 E CA 0.903 57.317 56.400 0.023 0.000 0.799 574 E CB -0.027 29.676 29.700 0.004 0.000 0.748 574 E HN 0.252 nan 8.360 nan 0.000 0.449 575 Q N 0.322 120.175 119.800 0.088 0.000 2.234 575 Q HA -0.154 4.185 4.340 -0.002 0.000 0.206 575 Q C 2.309 178.441 176.000 0.221 0.000 0.980 575 Q CA 1.491 57.374 55.803 0.132 0.000 0.869 575 Q CB -0.155 28.720 28.738 0.227 0.000 0.912 575 Q HN 0.247 nan 8.270 nan 0.000 0.436 576 S N 0.385 116.252 115.700 0.278 0.000 2.442 576 S HA -0.082 4.387 4.470 -0.002 0.000 0.236 576 S C 1.793 176.517 174.600 0.207 0.000 1.007 576 S CA 0.596 58.995 58.200 0.333 0.000 0.965 576 S CB -0.322 62.966 63.200 0.147 0.000 0.773 576 S HN 0.339 nan 8.310 nan 0.000 0.504 577 L N 1.926 123.201 121.223 0.086 0.000 2.362 577 L HA -0.020 4.319 4.340 -0.002 0.000 0.219 577 L C 2.816 179.680 176.870 -0.009 0.000 1.134 577 L CA 1.380 56.237 54.840 0.029 0.000 0.807 577 L CB -0.940 41.115 42.059 -0.007 0.000 0.927 577 L HN 0.634 nan 8.230 nan 0.000 0.447 578 T N -4.208 110.283 114.554 -0.105 0.000 3.065 578 T HA 0.000 4.349 4.350 -0.002 0.000 0.252 578 T C 0.464 175.003 174.700 -0.268 0.000 1.099 578 T CA -0.087 61.862 62.100 -0.252 0.000 1.063 578 T CB -0.208 68.411 68.868 -0.414 0.000 0.948 578 T HN 0.058 nan 8.240 nan 0.000 0.506 579 Y N 0.502 120.900 120.300 0.163 0.000 2.352 579 Y HA 0.631 5.180 4.550 -0.002 0.000 0.326 579 Y C 1.752 177.758 175.900 0.177 0.000 1.166 579 Y CA -0.834 57.403 58.100 0.230 0.000 1.182 579 Y CB 1.222 39.970 38.460 0.479 0.000 1.216 579 Y HN 0.027 nan 8.280 nan 0.000 0.474 580 G N 0.929 109.922 108.800 0.322 0.000 2.551 580 G HA2 -0.023 3.935 3.960 -0.002 0.000 0.216 580 G HA3 -0.023 3.935 3.960 -0.002 0.000 0.216 580 G C 0.107 175.131 174.900 0.207 0.000 1.137 580 G CA 0.005 45.231 45.100 0.211 0.000 0.798 580 G HN 0.539 nan 8.290 nan 0.000 0.536 581 E N 0.206 120.576 120.200 0.283 0.000 2.392 581 E HA 0.254 4.603 4.350 -0.002 0.000 0.256 581 E C -0.118 176.581 176.600 0.164 0.000 1.145 581 E CA -0.392 56.101 56.400 0.155 0.000 0.929 581 E CB 0.614 30.301 29.700 -0.021 0.000 0.998 581 E HN 0.170 nan 8.360 nan 0.000 0.442 582 N N 2.108 120.826 118.700 0.029 0.000 2.462 582 N HA 0.327 5.066 4.740 -0.002 0.000 0.242 582 N C -1.665 173.836 175.510 -0.014 0.000 1.010 582 N CA -0.360 52.684 53.050 -0.011 0.000 0.939 582 N CB -0.271 38.193 38.487 -0.038 0.000 1.127 582 N HN 0.470 nan 8.380 nan 0.000 0.509 583 F N 1.380 121.181 119.950 -0.250 0.000 2.858 583 F HA 0.699 5.224 4.527 -0.002 0.000 0.319 583 F C -2.138 173.538 175.800 -0.206 0.000 1.166 583 F CA -1.456 56.303 58.000 -0.401 0.000 0.899 583 F CB 0.839 39.399 39.000 -0.734 0.000 1.332 583 F HN 0.115 nan 8.300 nan 0.000 0.461 584 F N -0.698 119.029 119.950 -0.372 0.000 2.693 584 F HA 0.779 5.305 4.527 -0.002 0.000 0.309 584 F C -2.181 173.456 175.800 -0.271 0.000 1.129 584 F CA -2.008 55.738 58.000 -0.423 0.000 0.948 584 F CB 1.019 39.867 39.000 -0.253 0.000 1.315 584 F HN 0.466 nan 8.300 nan 0.000 0.447 585 F N 1.774 121.793 119.950 0.115 0.000 2.410 585 F HA 0.315 4.841 4.527 -0.002 0.000 0.348 585 F C 0.410 176.339 175.800 0.215 0.000 1.106 585 F CA -0.241 57.791 58.000 0.053 0.000 1.163 585 F CB 1.150 40.165 39.000 0.024 0.000 1.129 585 F HN 0.679 nan 8.300 nan 0.000 0.516 586 N N 3.747 122.632 118.700 0.308 0.000 2.414 586 N HA 0.406 5.145 4.740 -0.002 0.000 0.256 586 N C -1.565 174.060 175.510 0.192 0.000 1.029 586 N CA -0.591 52.632 53.050 0.289 0.000 0.948 586 N CB 0.657 39.286 38.487 0.237 0.000 1.102 586 N HN 0.525 nan 8.380 nan 0.000 0.496 587 L N 6.518 127.823 121.223 0.137 0.000 2.316 587 L HA 0.618 4.956 4.340 -0.002 0.000 0.280 587 L C -2.552 174.336 176.870 0.030 0.000 1.006 587 L CA -2.351 52.528 54.840 0.066 0.000 0.836 587 L CB 1.213 43.281 42.059 0.016 0.000 1.221 587 L HN 0.499 nan 8.230 nan 0.000 0.418 588 P HA 0.178 nan 4.420 nan 0.000 0.280 588 P C -0.879 176.397 177.300 -0.041 0.000 1.300 588 P CA -0.179 62.935 63.100 0.022 0.000 0.785 588 P CB 0.546 32.280 31.700 0.056 0.000 0.874 589 K N 2.355 122.719 120.400 -0.061 0.000 2.149 589 K HA 0.220 4.539 4.320 -0.002 0.000 0.245 589 K C 1.231 177.806 176.600 -0.041 0.000 1.024 589 K CA -0.364 55.831 56.287 -0.153 0.000 0.899 589 K CB 0.313 32.759 32.500 -0.090 0.000 1.038 589 K HN 0.301 nan 8.250 nan 0.000 0.496 590 F N 1.090 121.064 119.950 0.039 0.000 2.269 590 F HA -0.174 4.352 4.527 -0.002 0.000 0.301 590 F C 1.885 177.742 175.800 0.095 0.000 1.082 590 F CA 0.558 58.597 58.000 0.065 0.000 1.360 590 F CB -0.016 39.012 39.000 0.047 0.000 1.041 590 F HN 0.633 nan 8.300 nan 0.000 0.512 591 D N -0.410 120.134 120.400 0.240 0.000 2.336 591 D HA 0.069 4.708 4.640 -0.002 0.000 0.229 591 D C 1.737 178.116 176.300 0.131 0.000 1.061 591 D CA 0.892 55.002 54.000 0.183 0.000 0.875 591 D CB -0.207 40.678 40.800 0.143 0.000 0.904 591 D HN 0.316 nan 8.370 nan 0.000 0.525 592 G N -0.029 108.845 108.800 0.123 0.000 2.179 592 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.260 592 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.260 592 G C 0.514 175.453 174.900 0.066 0.000 0.977 592 G CA 0.754 45.911 45.100 0.094 0.000 0.641 592 G HN 0.840 nan 8.290 nan 0.000 0.533 593 T N -2.040 112.547 114.554 0.054 0.000 2.912 593 T HA 0.713 5.061 4.350 -0.002 0.000 0.280 593 T C -0.105 174.610 174.700 0.025 0.000 0.989 593 T CA 0.345 62.466 62.100 0.036 0.000 0.995 593 T CB 2.411 71.296 68.868 0.029 0.000 1.077 593 T HN 0.346 nan 8.240 nan 0.000 0.531 594 T N 1.428 115.994 114.554 0.019 0.000 2.841 594 T HA 0.605 4.954 4.350 -0.002 0.000 0.283 594 T C -0.785 173.918 174.700 0.004 0.000 1.000 594 T CA -0.546 61.565 62.100 0.019 0.000 0.977 594 T CB 0.926 69.816 68.868 0.036 0.000 0.979 594 T HN 0.726 nan 8.240 nan 0.000 0.446 595 I N 2.657 123.229 120.570 0.004 0.000 2.474 595 I HA 0.430 4.599 4.170 -0.002 0.000 0.294 595 I C -0.776 175.348 176.117 0.012 0.000 1.005 595 I CA -0.667 60.627 61.300 -0.010 0.000 1.113 595 I CB 1.557 39.547 38.000 -0.016 0.000 1.289 595 I HN 0.548 nan 8.210 nan 0.000 0.436 596 Q N 7.279 127.049 119.800 -0.049 0.000 2.325 596 Q HA 0.578 4.916 4.340 -0.002 0.000 0.262 596 Q C -1.046 174.924 176.000 -0.050 0.000 0.968 596 Q CA -0.346 55.411 55.803 -0.076 0.000 0.877 596 Q CB 2.233 30.684 28.738 -0.478 0.000 1.253 596 Q HN 0.578 nan 8.270 nan 0.000 0.448 597 I N 0.000 120.637 120.570 0.112 0.000 2.984 597 I HA 0.000 4.169 4.170 -0.002 0.000 0.288 597 I CA 0.000 61.362 61.300 0.103 0.000 1.566 597 I CB 0.000 38.089 38.000 0.148 0.000 1.214 597 I HN 0.000 nan 8.210 nan 0.000 0.494