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 1tau_1_A DATA FIRST_RESID 10 DATA SEQUENCE PKGRVLLVDG HHLAYRTFHA LKGLTTSRGE PVQAVYGFAK SLLKALKEDG DATA SEQUENCE DAVIVVFDAX XXXXXXXXXX XXXXXRAPTP EDFPRQLALI KELVDLLGLA DATA SEQUENCE RLEVPGYEAD DVLASLAKKA EKEGYEVRIL TADKDLYQLL SDRIHVLHPE DATA SEQUENCE GYLITPAWLW EKYGLRPDQW ADYRALTGDE SDNLPGVKGI GEKTARKLLE DATA SEQUENCE EWGSLEALLK NLDRLKPAIR EKILAHMDDL KLSWDLAKVR TDLPLEVDFA DATA SEQUENCE KRREPDRERL RAFLERLEFG SLLHEFGLLE SPKALEEAPW PPPEGAFVGF DATA SEQUENCE VLSRKEPMWA DLLALAAARG GRVHRAPEPY KALRDLKEAR GLLAKDLSVL DATA SEQUENCE ALREGLGLPP GDDPMLLAYL LDPSNTTPEG VARRYGGEWT EEAGERAALS DATA SEQUENCE ERLFANLWGR LEGEERLLWL YREVERPLSA VLAHMEATGV RLDVAYLRAL DATA SEQUENCE SLEVAEEIAR LEAEVFRLAG HPFNLNSRDQ LERVLFDELX XXXXXXXXXX DATA SEQUENCE XXXSTSAAVL EALREAHPIV EKILQYRELT KLKSTYIDPL PDLIHPRTGR DATA SEQUENCE LHTRFNQTAT ATGRLSSSDP NLQNIPVRTP LGQRIRRAFI AEEGWLLVAL DATA SEQUENCE DYSQIELRVL AHLSGDENLI RVFQEGRDIH TETASWMFGV PREAVDPLMR DATA SEQUENCE RAAKTINFGV LYGMSAHRLS QELAIPYEEA QAFIERYFQS FPKVRAWIEK DATA SEQUENCE TLEEGRRRGY VETLFGRRRY VPDLEARVKS VREAAERMAF NMPVQGTAAD DATA SEQUENCE LMKLAMVKLF PRLEEMGARM LLQVHDELVL EAPKERAEAV ARLAKEVMEG DATA SEQUENCE VYPLAVPLEV EVGIGEDWLS AKE 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 10 P HA 0.000 nan 4.420 nan 0.000 0.216 10 P C 0.000 177.220 177.300 -0.133 0.000 1.155 10 P CA 0.000 63.037 63.100 -0.105 0.000 0.800 10 P CB 0.000 31.667 31.700 -0.055 0.000 0.726 11 K N 4.059 124.301 120.400 -0.263 0.000 2.365 11 K HA -0.022 nan 4.320 nan 0.000 0.199 11 K C -0.429 176.096 176.600 -0.126 0.000 1.045 11 K CA -0.165 55.935 56.287 -0.311 0.000 0.962 11 K CB 1.148 33.229 32.500 -0.698 0.000 0.759 11 K HN 0.755 8.692 8.250 -0.345 0.106 0.469 12 G N -4.572 104.228 108.800 -0.001 0.000 2.315 12 G HA2 -0.056 nan 3.960 nan 0.000 0.294 12 G HA3 -0.056 nan 3.960 nan 0.000 0.294 12 G C -3.283 171.735 174.900 0.195 0.000 1.300 12 G CA -0.369 44.832 45.100 0.168 0.000 0.843 12 G HN -0.967 7.234 8.290 -0.063 0.051 0.527 13 R N -1.296 119.284 120.500 0.134 0.000 2.445 13 R HA 0.794 nan 4.340 nan 0.000 0.308 13 R C -1.496 174.829 176.300 0.042 0.000 0.961 13 R CA -0.969 55.173 56.100 0.071 0.000 0.862 13 R CB 2.421 32.743 30.300 0.035 0.000 1.144 13 R HN 0.037 8.533 8.270 0.119 -0.154 0.447 14 V N 6.685 126.596 119.914 -0.004 0.000 2.417 14 V HA 0.621 nan 4.120 nan 0.000 0.291 14 V C -2.065 174.018 176.094 -0.018 0.000 1.024 14 V CA -1.077 61.204 62.300 -0.032 0.000 0.861 14 V CB 2.472 34.222 31.823 -0.122 0.000 0.985 14 V HN 0.977 9.164 8.190 -0.005 0.000 0.436 15 L N 8.357 129.577 121.223 -0.005 0.000 2.276 15 L HA 0.766 nan 4.340 nan 0.000 0.286 15 L C -2.294 174.570 176.870 -0.010 0.000 1.024 15 L CA -1.268 53.564 54.840 -0.014 0.000 0.826 15 L CB 2.104 44.151 42.059 -0.020 0.000 1.211 15 L HN 0.642 8.874 8.230 0.003 0.000 0.422 16 L N 7.569 128.784 121.223 -0.012 0.000 2.275 16 L HA 0.555 nan 4.340 nan 0.000 0.288 16 L C -1.405 175.447 176.870 -0.030 0.000 1.046 16 L CA -0.940 53.894 54.840 -0.010 0.000 0.805 16 L CB 0.685 42.745 42.059 0.002 0.000 1.193 16 L HN 0.772 8.990 8.230 -0.019 0.000 0.426 17 V N 3.422 123.310 119.914 -0.043 0.000 2.435 17 V HA 0.303 nan 4.120 nan 0.000 0.290 17 V C -1.351 174.708 176.094 -0.057 0.000 1.030 17 V CA -1.430 60.835 62.300 -0.058 0.000 0.881 17 V CB 1.898 33.689 31.823 -0.053 0.000 0.983 17 V HN 1.085 9.141 8.190 -0.042 0.108 0.445 18 D N 6.895 127.280 120.400 -0.026 0.000 2.558 18 D HA 0.204 nan 4.640 nan 0.000 0.221 18 D C 0.837 177.180 176.300 0.071 0.000 1.143 18 D CA -1.672 52.343 54.000 0.025 0.000 1.010 18 D CB -0.432 40.416 40.800 0.080 0.000 1.068 18 D HN 0.121 8.469 8.370 -0.035 0.000 0.511 19 G N 3.928 112.676 108.800 -0.085 0.000 2.459 19 G HA2 -0.477 nan 3.960 nan 0.000 0.217 19 G HA3 -0.477 nan 3.960 nan 0.000 0.217 19 G C 0.960 175.987 174.900 0.212 0.000 1.183 19 G CA 2.375 47.441 45.100 -0.057 0.000 0.776 19 G HN -0.094 8.010 8.290 -0.244 0.040 0.552 20 H N 3.393 122.459 119.070 -0.005 0.000 2.267 20 H HA -0.393 nan 4.556 nan 0.000 0.291 20 H C 2.561 177.937 175.328 0.080 0.000 1.094 20 H CA 3.831 59.934 56.048 0.091 0.000 1.227 20 H CB 0.018 29.727 29.762 -0.088 0.000 1.351 20 H HN -0.269 7.978 8.280 -0.054 0.000 0.483 21 H N -2.356 116.738 119.070 0.041 0.000 2.448 21 H HA -0.010 nan 4.556 nan 0.000 0.292 21 H C 2.645 178.098 175.328 0.209 0.000 1.035 21 H CA 3.030 59.080 56.048 0.003 0.000 1.349 21 H CB 0.656 30.377 29.762 -0.068 0.000 1.425 21 H HN -0.678 7.917 8.280 0.107 -0.251 0.539 22 L N -0.714 120.713 121.223 0.340 0.000 2.083 22 L HA -0.393 nan 4.340 nan 0.000 0.209 22 L C 1.817 178.982 176.870 0.492 0.000 1.083 22 L CA 3.169 58.203 54.840 0.322 0.000 0.752 22 L CB -0.728 41.430 42.059 0.165 0.000 0.899 22 L HN 0.184 8.597 8.230 0.305 0.000 0.433 23 A N -0.634 122.541 122.820 0.592 0.000 1.858 23 A HA -0.356 nan 4.320 nan 0.000 0.216 23 A C 1.536 179.477 177.584 0.594 0.000 1.190 23 A CA 3.221 55.551 52.037 0.488 0.000 0.617 23 A CB -1.115 18.082 19.000 0.329 0.000 0.827 23 A HN 0.374 8.874 8.150 0.584 0.000 0.443 24 Y N 0.006 120.663 120.300 0.593 0.000 2.097 24 Y HA -0.481 nan 4.550 nan 0.000 0.282 24 Y C 2.073 178.343 175.900 0.616 0.000 1.152 24 Y CA 3.641 62.130 58.100 0.648 0.000 1.136 24 Y CB 0.155 38.800 38.460 0.309 0.000 0.975 24 Y HN -0.809 7.906 8.280 0.725 0.000 0.498 25 R N -1.303 119.544 120.500 0.578 0.000 2.122 25 R HA -0.509 nan 4.340 nan 0.000 0.236 25 R C 2.617 179.111 176.300 0.324 0.000 1.129 25 R CA 3.824 60.176 56.100 0.421 0.000 0.925 25 R CB -0.020 30.461 30.300 0.301 0.000 0.850 25 R HN 0.160 8.782 8.270 0.586 0.000 0.431 26 T N -1.581 113.147 114.554 0.289 0.000 2.803 26 T HA -0.269 nan 4.350 nan 0.000 0.269 26 T C 2.323 177.103 174.700 0.134 0.000 1.052 26 T CA 3.347 65.573 62.100 0.211 0.000 1.136 26 T CB -0.994 68.018 68.868 0.241 0.000 0.864 26 T HN -0.171 8.268 8.240 0.330 0.000 0.467 27 F N 3.629 123.578 119.950 -0.002 0.000 2.202 27 F HA -0.365 nan 4.527 nan 0.000 0.301 27 F C 0.556 176.121 175.800 -0.392 0.000 1.082 27 F CA 2.824 60.703 58.000 -0.202 0.000 1.313 27 F CB 0.294 39.171 39.000 -0.205 0.000 1.024 27 F HN -0.157 8.372 8.300 0.372 -0.005 0.495 28 H N -4.341 114.733 119.070 0.006 0.000 2.520 28 H HA 0.081 nan 4.556 nan 0.000 0.284 28 H C -1.037 174.272 175.328 -0.032 0.000 1.037 28 H CA -0.404 55.606 56.048 -0.062 0.000 1.168 28 H CB -0.206 29.543 29.762 -0.022 0.000 1.497 28 H HN -0.454 7.679 8.280 -0.023 0.133 0.547 29 A N -0.500 122.340 122.820 0.033 0.000 2.350 29 A HA 0.359 nan 4.320 nan 0.000 0.324 29 A C -0.824 176.752 177.584 -0.013 0.000 1.118 29 A CA -1.268 50.796 52.037 0.045 0.000 0.783 29 A CB 2.120 21.175 19.000 0.091 0.000 1.236 29 A HN -0.273 7.649 8.150 -0.015 0.219 0.457 30 L N -3.721 117.491 121.223 -0.018 0.000 4.367 30 L HA -0.432 nan 4.340 nan 0.000 0.424 30 L C 1.076 177.898 176.870 -0.080 0.000 1.152 30 L CA 0.326 55.135 54.840 -0.052 0.000 0.974 30 L CB -2.157 39.861 42.059 -0.069 0.000 2.012 30 L HN 0.454 8.685 8.230 0.002 0.000 0.922 31 K N -1.278 119.062 120.400 -0.100 0.000 2.265 31 K HA -0.441 nan 4.320 nan 0.000 0.210 31 K C 1.224 177.742 176.600 -0.137 0.000 1.036 31 K CA 2.573 58.767 56.287 -0.157 0.000 0.934 31 K CB -0.763 31.664 32.500 -0.121 0.000 0.765 31 K HN 0.612 8.757 8.250 -0.074 0.060 0.485 32 G N -3.468 105.280 108.800 -0.086 0.000 2.494 32 G HA2 -0.094 nan 3.960 nan 0.000 0.216 32 G HA3 -0.094 nan 3.960 nan 0.000 0.216 32 G C -0.111 174.755 174.900 -0.057 0.000 1.140 32 G CA -0.302 44.758 45.100 -0.067 0.000 0.801 32 G HN -0.713 7.485 8.290 -0.073 0.048 0.536 33 L N 2.216 123.407 121.223 -0.053 0.000 2.678 33 L HA -0.182 nan 4.340 nan 0.000 0.285 33 L C -0.674 176.199 176.870 0.005 0.000 1.233 33 L CA 0.921 55.751 54.840 -0.016 0.000 0.920 33 L CB 0.264 42.326 42.059 0.005 0.000 1.176 33 L HN -0.003 8.187 8.230 -0.067 0.000 0.495 34 T N -1.510 113.052 114.554 0.013 0.000 2.840 34 T HA 0.367 nan 4.350 nan 0.000 0.317 34 T C -1.202 173.492 174.700 -0.009 0.000 1.401 34 T CA -1.485 60.623 62.100 0.014 0.000 1.028 34 T CB 3.583 72.445 68.868 -0.009 0.000 1.317 34 T HN -0.409 7.829 8.240 -0.003 0.000 0.495 35 T N -0.507 114.038 114.554 -0.014 0.000 2.884 35 T HA 0.313 nan 4.350 nan 0.000 0.298 35 T C 0.879 175.545 174.700 -0.056 0.000 0.998 35 T CA -1.340 60.723 62.100 -0.061 0.000 1.124 35 T CB 0.681 69.515 68.868 -0.057 0.000 0.931 35 T HN 0.342 8.584 8.240 0.004 0.000 0.531 36 S N 7.394 123.052 115.700 -0.071 0.000 3.106 36 S HA -0.166 nan 4.470 nan 0.000 0.304 36 S C 0.011 174.585 174.600 -0.044 0.000 1.118 36 S CA 1.451 59.619 58.200 -0.054 0.000 1.403 36 S CB -0.798 62.367 63.200 -0.059 0.000 1.555 36 S HN 0.350 8.764 8.310 -0.095 -0.162 0.584 37 R N 2.844 123.324 120.500 -0.034 0.000 2.333 37 R HA -0.034 nan 4.340 nan 0.000 0.082 37 R C -0.609 175.679 176.300 -0.020 0.000 0.528 37 R CA -0.069 56.014 56.100 -0.028 0.000 0.877 37 R CB 1.074 31.355 30.300 -0.032 0.000 1.050 37 R HN 0.614 8.846 8.270 -0.032 0.018 0.526 38 G N -0.364 108.425 108.800 -0.018 0.000 2.893 38 G HA2 -0.334 nan 3.960 nan 0.000 0.222 38 G HA3 -0.334 nan 3.960 nan 0.000 0.222 38 G C -2.310 172.586 174.900 -0.006 0.000 1.345 38 G CA -0.486 44.608 45.100 -0.010 0.000 1.129 38 G HN -0.016 8.260 8.290 -0.023 0.000 0.560 39 E N 2.914 123.114 120.200 0.000 0.000 2.055 39 E HA -0.349 nan 4.350 nan 0.000 0.251 39 E C -2.489 174.121 176.600 0.017 0.000 1.718 39 E CA -0.870 55.534 56.400 0.006 0.000 0.881 39 E CB -0.138 29.557 29.700 -0.008 0.000 0.890 39 E HN 0.247 8.607 8.360 0.000 0.000 0.319 40 P HA -0.008 nan 4.420 nan 0.000 0.269 40 P C -1.813 175.519 177.300 0.053 0.000 1.215 40 P CA 0.396 63.511 63.100 0.025 0.000 0.780 40 P CB 0.460 32.173 31.700 0.021 0.000 0.898 41 V N 0.935 120.892 119.914 0.071 0.000 3.537 41 V HA 0.285 nan 4.120 nan 0.000 0.315 41 V C -0.412 175.771 176.094 0.148 0.000 1.541 41 V CA 0.605 62.986 62.300 0.135 0.000 1.160 41 V CB 0.731 32.694 31.823 0.233 0.000 0.998 41 V HN 0.519 8.633 8.190 0.045 0.102 0.473 42 Q N 2.808 122.644 119.800 0.060 0.000 2.170 42 Q HA -0.229 nan 4.340 nan 0.000 0.203 42 Q C 1.210 177.271 176.000 0.101 0.000 0.976 42 Q CA 3.106 58.937 55.803 0.048 0.000 0.858 42 Q CB -1.365 27.333 28.738 -0.068 0.000 0.907 42 Q HN 0.041 8.311 8.270 0.001 0.000 0.433 43 A N 0.075 122.950 122.820 0.092 0.000 1.873 43 A HA -0.253 nan 4.320 nan 0.000 0.215 43 A C 2.168 179.861 177.584 0.181 0.000 1.186 43 A CA 3.057 55.191 52.037 0.162 0.000 0.616 43 A CB -0.661 18.460 19.000 0.202 0.000 0.823 43 A HN -0.068 8.336 8.150 0.059 -0.218 0.442 44 V N 0.205 120.203 119.914 0.140 0.000 2.255 44 V HA -0.472 nan 4.120 nan 0.000 0.247 44 V C 1.397 177.576 176.094 0.142 0.000 1.051 44 V CA 4.615 67.003 62.300 0.146 0.000 1.018 44 V CB -1.252 30.655 31.823 0.141 0.000 0.641 44 V HN -0.480 8.055 8.190 0.119 -0.274 0.445 45 Y N -0.019 120.265 120.300 -0.028 0.000 2.036 45 Y HA -0.510 nan 4.550 nan 0.000 0.273 45 Y C 1.647 177.517 175.900 -0.049 0.000 1.135 45 Y CA 3.865 61.853 58.100 -0.187 0.000 1.106 45 Y CB -0.335 37.938 38.460 -0.312 0.000 0.976 45 Y HN 0.494 8.787 8.280 0.200 0.107 0.483 46 G N -2.432 106.562 108.800 0.325 0.000 2.606 46 G HA2 -0.567 nan 3.960 nan 0.000 0.221 46 G HA3 -0.567 nan 3.960 nan 0.000 0.221 46 G C 0.955 175.909 174.900 0.090 0.000 1.152 46 G CA 2.366 47.601 45.100 0.225 0.000 0.765 46 G HN 0.227 8.624 8.290 0.355 0.105 0.595 47 F N 2.995 122.960 119.950 0.026 0.000 2.102 47 F HA -0.405 nan 4.527 nan 0.000 0.298 47 F C 1.283 177.062 175.800 -0.034 0.000 1.105 47 F CA 3.093 61.105 58.000 0.021 0.000 1.239 47 F CB 0.118 39.159 39.000 0.068 0.000 0.991 47 F HN 0.119 8.617 8.300 0.330 0.000 0.474 48 A N -1.031 121.863 122.820 0.123 0.000 1.858 48 A HA -0.434 nan 4.320 nan 0.000 0.216 48 A C 1.505 178.960 177.584 -0.215 0.000 1.190 48 A CA 3.382 55.437 52.037 0.030 0.000 0.617 48 A CB -0.960 18.066 19.000 0.044 0.000 0.827 48 A HN 0.220 8.472 8.150 0.170 0.000 0.443 49 K N -1.361 118.811 120.400 -0.380 0.000 2.020 49 K HA -0.430 nan 4.320 nan 0.000 0.212 49 K C 2.289 178.735 176.600 -0.256 0.000 1.050 49 K CA 3.563 59.625 56.287 -0.376 0.000 0.929 49 K CB -0.005 32.289 32.500 -0.343 0.000 0.714 49 K HN 0.016 8.000 8.250 -0.442 0.000 0.443 50 S N -1.092 114.470 115.700 -0.231 0.000 2.402 50 S HA -0.240 nan 4.470 nan 0.000 0.229 50 S C 2.179 176.618 174.600 -0.268 0.000 1.021 50 S CA 2.722 60.785 58.200 -0.227 0.000 0.974 50 S CB 0.057 63.120 63.200 -0.228 0.000 0.800 50 S HN -0.542 7.637 8.310 -0.219 0.000 0.484 51 L N 3.044 124.070 121.223 -0.328 0.000 2.017 51 L HA -0.279 nan 4.340 nan 0.000 0.208 51 L C 1.499 178.259 176.870 -0.184 0.000 1.073 51 L CA 2.908 57.587 54.840 -0.267 0.000 0.745 51 L CB -0.497 41.442 42.059 -0.201 0.000 0.894 51 L HN -0.487 7.449 8.230 -0.385 0.063 0.432 52 L N -1.418 119.672 121.223 -0.221 0.000 1.971 52 L HA -0.528 nan 4.340 nan 0.000 0.215 52 L C 1.931 178.682 176.870 -0.199 0.000 1.072 52 L CA 3.451 58.136 54.840 -0.258 0.000 0.758 52 L CB -1.198 40.610 42.059 -0.419 0.000 0.889 52 L HN 0.306 8.391 8.230 -0.242 0.000 0.433 53 K N -1.092 119.193 120.400 -0.192 0.000 2.052 53 K HA -0.545 nan 4.320 nan 0.000 0.215 53 K C 1.955 178.479 176.600 -0.126 0.000 1.053 53 K CA 3.705 59.902 56.287 -0.151 0.000 0.934 53 K CB -0.256 32.159 32.500 -0.143 0.000 0.717 53 K HN -0.635 7.488 8.250 -0.213 0.000 0.450 54 A N -1.795 120.948 122.820 -0.129 0.000 1.908 54 A HA -0.223 nan 4.320 nan 0.000 0.218 54 A C 2.460 179.994 177.584 -0.082 0.000 1.181 54 A CA 2.960 54.936 52.037 -0.103 0.000 0.627 54 A CB -0.598 18.336 19.000 -0.111 0.000 0.818 54 A HN -0.551 7.509 8.150 -0.150 0.000 0.445 55 L N -3.068 118.103 121.223 -0.088 0.000 2.291 55 L HA -0.286 nan 4.340 nan 0.000 0.214 55 L C 2.071 178.900 176.870 -0.068 0.000 1.120 55 L CA 2.418 57.219 54.840 -0.065 0.000 0.799 55 L CB -0.668 41.359 42.059 -0.054 0.000 0.925 55 L HN -0.191 7.911 8.230 -0.107 0.064 0.446 56 K N -0.821 119.525 120.400 -0.090 0.000 2.057 56 K HA -0.356 nan 4.320 nan 0.000 0.206 56 K C 1.578 178.140 176.600 -0.063 0.000 1.050 56 K CA 3.169 59.405 56.287 -0.086 0.000 0.935 56 K CB -0.058 32.379 32.500 -0.105 0.000 0.715 56 K HN 0.266 8.229 8.250 -0.109 0.222 0.439 57 E N -4.618 115.544 120.200 -0.062 0.000 2.150 57 E HA -0.127 nan 4.350 nan 0.000 0.193 57 E C -0.819 175.761 176.600 -0.034 0.000 0.985 57 E CA 1.614 57.986 56.400 -0.047 0.000 0.814 57 E CB 0.764 30.433 29.700 -0.051 0.000 0.752 57 E HN -0.417 7.898 8.360 -0.075 0.000 0.466 58 D N -4.239 116.138 120.400 -0.037 0.000 9.601 58 D HA -0.308 nan 4.640 nan 0.000 0.351 58 D C -1.344 174.948 176.300 -0.013 0.000 2.917 58 D CA 0.900 54.885 54.000 -0.024 0.000 2.218 58 D CB -0.514 40.276 40.800 -0.017 0.000 1.166 58 D HN -0.222 7.968 8.370 -0.048 0.151 1.105 59 G N -3.857 104.941 108.800 -0.004 0.000 2.523 59 G HA2 0.016 nan 3.960 nan 0.000 0.291 59 G HA3 0.016 nan 3.960 nan 0.000 0.291 59 G C -1.315 173.595 174.900 0.016 0.000 1.450 59 G CA -0.253 44.851 45.100 0.007 0.000 0.790 59 G HN -0.552 7.736 8.290 -0.004 0.000 0.496 60 D N 1.987 122.406 120.400 0.032 0.000 2.146 60 D HA 0.094 nan 4.640 nan 0.000 0.209 60 D C -0.244 176.074 176.300 0.032 0.000 0.973 60 D CA 2.653 56.678 54.000 0.042 0.000 0.860 60 D CB 1.014 41.860 40.800 0.076 0.000 1.015 60 D HN 0.343 8.621 8.370 0.038 0.115 0.465 61 A N -2.873 119.965 122.820 0.029 0.000 2.312 61 A HA 0.673 nan 4.320 nan 0.000 0.328 61 A C -2.138 175.454 177.584 0.013 0.000 1.158 61 A CA -0.721 51.327 52.037 0.018 0.000 0.821 61 A CB 2.310 21.324 19.000 0.023 0.000 1.170 61 A HN -0.492 7.678 8.150 0.033 0.000 0.490 62 V N 1.249 121.165 119.914 0.004 0.000 2.525 62 V HA 0.664 nan 4.120 nan 0.000 0.299 62 V C -1.597 174.494 176.094 -0.004 0.000 1.034 62 V CA -0.845 61.456 62.300 0.002 0.000 0.863 62 V CB 1.785 33.610 31.823 0.004 0.000 0.999 62 V HN 0.525 8.714 8.190 -0.003 0.000 0.423 63 I N 6.776 127.342 120.570 -0.006 0.000 2.448 63 I HA 0.524 nan 4.170 nan 0.000 0.281 63 I C -1.387 174.708 176.117 -0.036 0.000 1.027 63 I CA -0.918 60.369 61.300 -0.022 0.000 1.111 63 I CB 2.265 40.248 38.000 -0.029 0.000 1.236 63 I HN 0.768 8.977 8.210 -0.001 0.000 0.452 64 V N 9.213 129.101 119.914 -0.044 0.000 2.368 64 V HA 0.356 nan 4.120 nan 0.000 0.266 64 V C -0.941 174.981 176.094 -0.287 0.000 1.045 64 V CA -0.492 61.724 62.300 -0.140 0.000 0.899 64 V CB -0.503 31.287 31.823 -0.055 0.000 1.006 64 V HN 0.906 9.089 8.190 -0.012 0.000 0.470 65 V N 8.673 128.413 119.914 -0.291 0.000 2.432 65 V HA 0.503 nan 4.120 nan 0.000 0.275 65 V C -0.896 174.967 176.094 -0.385 0.000 1.043 65 V CA -0.397 61.768 62.300 -0.225 0.000 0.925 65 V CB -0.146 31.630 31.823 -0.078 0.000 0.985 65 V HN 0.564 8.618 8.190 -0.227 0.000 0.466 66 F N 7.090 127.055 119.950 0.025 0.000 2.557 66 F HA 0.356 nan 4.527 nan 0.000 0.336 66 F C -1.538 174.204 175.800 -0.096 0.000 1.058 66 F CA -1.397 56.600 58.000 -0.004 0.000 0.988 66 F CB 3.020 42.005 39.000 -0.026 0.000 1.275 66 F HN 0.789 8.996 8.300 0.036 0.115 0.488 67 D N -0.169 120.219 120.400 -0.019 0.000 2.255 67 D HA 0.337 nan 4.640 nan 0.000 0.249 67 D C -1.720 174.537 176.300 -0.073 0.000 1.078 67 D CA -0.105 53.763 54.000 -0.220 0.000 0.896 67 D CB 2.076 42.488 40.800 -0.646 0.000 1.194 67 D HN 0.155 8.576 8.370 0.085 0.000 0.429 86 A N 1.441 124.259 122.820 -0.002 0.000 2.453 86 A HA 0.190 nan 4.320 nan 0.000 0.225 86 A C -1.329 176.254 177.584 -0.000 0.000 2.127 86 A CA 0.663 52.699 52.037 -0.000 0.000 0.864 86 A CB -1.098 17.902 19.000 0.000 0.000 1.440 86 A HN 0.302 8.447 8.150 -0.007 0.000 0.566 87 P HA 0.122 nan 4.420 nan 0.000 0.253 87 P C -0.693 176.607 177.300 0.001 0.000 1.459 87 P CA -0.231 62.871 63.100 0.004 0.000 0.908 87 P CB -0.250 31.453 31.700 0.006 0.000 1.470 88 T N -3.523 111.018 114.554 -0.022 0.000 2.788 88 T HA 0.258 nan 4.350 nan 0.000 0.280 88 T C -1.575 173.092 174.700 -0.054 0.000 0.984 88 T CA -2.217 59.847 62.100 -0.060 0.000 0.972 88 T CB -0.327 68.454 68.868 -0.145 0.000 1.039 88 T HN -0.551 7.568 8.240 -0.020 0.108 0.530 89 P HA 0.043 nan 4.420 nan 0.000 0.266 89 P C -0.599 176.680 177.300 -0.035 0.000 1.195 89 P CA -0.375 62.668 63.100 -0.096 0.000 0.768 89 P CB 0.794 32.259 31.700 -0.391 0.000 0.838 90 E N 2.972 123.200 120.200 0.047 0.000 2.058 90 E HA -0.356 nan 4.350 nan 0.000 0.194 90 E C 0.420 177.065 176.600 0.075 0.000 0.997 90 E CA 2.553 58.992 56.400 0.065 0.000 0.801 90 E CB -0.066 29.683 29.700 0.082 0.000 0.746 90 E HN 0.273 8.681 8.360 0.080 0.000 0.450 91 D N -2.209 118.266 120.400 0.126 0.000 2.333 91 D HA -0.039 nan 4.640 nan 0.000 0.208 91 D C 1.593 177.948 176.300 0.091 0.000 0.984 91 D CA 0.106 54.194 54.000 0.147 0.000 0.873 91 D CB -0.142 40.809 40.800 0.250 0.000 0.935 91 D HN -0.001 8.479 8.370 0.183 0.000 0.521 92 F N 2.550 122.306 119.950 -0.324 0.000 2.085 92 F HA -0.283 nan 4.527 nan 0.000 0.299 92 F C -1.417 174.262 175.800 -0.201 0.000 1.096 92 F CA 4.808 62.480 58.000 -0.547 0.000 1.227 92 F CB -1.801 36.735 39.000 -0.773 0.000 0.983 92 F HN -0.195 7.998 8.300 -0.106 0.043 0.482 93 P HA -0.324 nan 4.420 nan 0.000 0.216 93 P C 1.687 178.921 177.300 -0.110 0.000 1.150 93 P CA 2.948 66.035 63.100 -0.022 0.000 0.837 93 P CB -0.797 30.925 31.700 0.036 0.000 0.786 94 R N -1.084 119.375 120.500 -0.068 0.000 2.070 94 R HA -0.367 nan 4.340 nan 0.000 0.233 94 R C 2.453 178.698 176.300 -0.092 0.000 1.137 94 R CA 3.736 59.802 56.100 -0.056 0.000 0.945 94 R CB -0.324 29.971 30.300 -0.008 0.000 0.845 94 R HN -0.238 7.899 8.270 -0.031 0.114 0.430 95 Q N -1.356 118.375 119.800 -0.115 0.000 2.167 95 Q HA -0.264 nan 4.340 nan 0.000 0.202 95 Q C 2.689 178.535 176.000 -0.257 0.000 0.970 95 Q CA 2.888 58.615 55.803 -0.127 0.000 0.855 95 Q CB -0.068 28.637 28.738 -0.056 0.000 0.911 95 Q HN -0.730 7.484 8.270 -0.092 0.000 0.438 96 L N 0.369 121.335 121.223 -0.427 0.000 2.046 96 L HA -0.358 nan 4.340 nan 0.000 0.208 96 L C 1.252 177.898 176.870 -0.372 0.000 1.077 96 L CA 3.012 57.569 54.840 -0.473 0.000 0.747 96 L CB -0.556 41.214 42.059 -0.482 0.000 0.896 96 L HN 0.326 8.189 8.230 -0.512 0.060 0.432 97 A N -1.076 121.591 122.820 -0.255 0.000 1.933 97 A HA -0.306 nan 4.320 nan 0.000 0.218 97 A C 2.140 179.632 177.584 -0.153 0.000 1.175 97 A CA 3.139 55.053 52.037 -0.204 0.000 0.628 97 A CB -0.851 18.074 19.000 -0.125 0.000 0.814 97 A HN 0.256 8.273 8.150 -0.222 0.000 0.444 98 L N -1.515 119.660 121.223 -0.080 0.000 2.056 98 L HA -0.393 nan 4.340 nan 0.000 0.207 98 L C 2.231 179.082 176.870 -0.031 0.000 1.078 98 L CA 2.913 57.803 54.840 0.082 0.000 0.749 98 L CB -0.523 41.630 42.059 0.158 0.000 0.901 98 L HN -0.620 7.489 8.230 -0.093 0.065 0.433 99 I N -0.318 120.135 120.570 -0.195 0.000 2.091 99 I HA -0.602 nan 4.170 nan 0.000 0.239 99 I C 2.140 178.053 176.117 -0.341 0.000 1.061 99 I CA 3.414 64.495 61.300 -0.365 0.000 1.317 99 I CB -1.530 36.117 38.000 -0.589 0.000 1.031 99 I HN 0.431 8.460 8.210 -0.202 0.060 0.401 100 K N -1.416 118.708 120.400 -0.461 0.000 2.026 100 K HA -0.405 nan 4.320 nan 0.000 0.208 100 K C 2.157 178.628 176.600 -0.215 0.000 1.048 100 K CA 3.817 59.864 56.287 -0.401 0.000 0.929 100 K CB -0.409 31.756 32.500 -0.558 0.000 0.713 100 K HN -0.169 7.756 8.250 -0.543 0.000 0.439 101 E N 0.164 120.243 120.200 -0.203 0.000 2.049 101 E HA -0.351 nan 4.350 nan 0.000 0.198 101 E C 2.203 178.604 176.600 -0.332 0.000 1.007 101 E CA 3.069 59.356 56.400 -0.188 0.000 0.809 101 E CB 0.055 29.713 29.700 -0.071 0.000 0.749 101 E HN -0.228 8.015 8.360 -0.195 0.000 0.450 102 L N -0.585 120.351 121.223 -0.477 0.000 1.990 102 L HA -0.423 nan 4.340 nan 0.000 0.213 102 L C 1.888 178.591 176.870 -0.278 0.000 1.072 102 L CA 3.570 58.043 54.840 -0.612 0.000 0.755 102 L CB -0.159 41.639 42.059 -0.435 0.000 0.889 102 L HN 0.285 8.182 8.230 -0.368 0.112 0.432 103 V N -0.583 119.267 119.914 -0.106 0.000 2.278 103 V HA -0.629 nan 4.120 nan 0.000 0.251 103 V C 1.997 178.070 176.094 -0.034 0.000 1.062 103 V CA 4.670 66.984 62.300 0.024 0.000 1.038 103 V CB -0.970 30.947 31.823 0.155 0.000 0.646 103 V HN 0.286 8.410 8.190 -0.110 0.000 0.447 104 D N -0.735 119.618 120.400 -0.079 0.000 2.117 104 D HA -0.193 nan 4.640 nan 0.000 0.198 104 D C 3.091 179.324 176.300 -0.111 0.000 0.982 104 D CA 3.337 57.289 54.000 -0.080 0.000 0.828 104 D CB -0.409 40.340 40.800 -0.085 0.000 0.967 104 D HN -0.189 8.125 8.370 -0.093 0.000 0.464 105 L N -0.172 120.938 121.223 -0.187 0.000 2.127 105 L HA -0.339 nan 4.340 nan 0.000 0.211 105 L C 1.690 178.458 176.870 -0.170 0.000 1.089 105 L CA 3.016 57.732 54.840 -0.208 0.000 0.757 105 L CB -0.138 41.713 42.059 -0.347 0.000 0.899 105 L HN 0.292 8.382 8.230 -0.233 0.000 0.434 106 L N -6.345 114.788 121.223 -0.150 0.000 2.599 106 L HA -0.204 nan 4.340 nan 0.000 0.230 106 L C 0.368 177.218 176.870 -0.033 0.000 1.141 106 L CA 0.422 55.214 54.840 -0.080 0.000 0.877 106 L CB -0.333 41.712 42.059 -0.023 0.000 1.009 106 L HN -0.206 7.914 8.230 -0.174 0.006 0.447 107 G N -3.223 105.553 108.800 -0.040 0.000 2.159 107 G HA2 -0.393 nan 3.960 nan 0.000 0.256 107 G HA3 -0.393 nan 3.960 nan 0.000 0.256 107 G C -0.746 174.147 174.900 -0.010 0.000 0.977 107 G CA 0.260 45.346 45.100 -0.023 0.000 0.652 107 G HN -0.280 7.789 8.290 -0.060 0.185 0.531 108 L N -0.889 120.333 121.223 -0.001 0.000 2.439 108 L HA 0.362 nan 4.340 nan 0.000 0.261 108 L C -0.966 175.909 176.870 0.008 0.000 1.153 108 L CA -0.668 54.179 54.840 0.011 0.000 0.808 108 L CB 0.473 42.554 42.059 0.037 0.000 1.126 108 L HN -0.753 7.449 8.230 -0.004 0.025 0.460 109 A N 0.787 123.608 122.820 0.001 0.000 2.327 109 A HA 0.229 nan 4.320 nan 0.000 0.283 109 A C -1.667 175.931 177.584 0.023 0.000 1.127 109 A CA -0.729 51.304 52.037 -0.007 0.000 0.810 109 A CB 1.693 20.669 19.000 -0.041 0.000 1.066 109 A HN 0.449 8.597 8.150 -0.004 0.000 0.492 110 R N 1.282 121.807 120.500 0.042 0.000 2.445 110 R HA 0.801 nan 4.340 nan 0.000 0.308 110 R C -1.310 175.037 176.300 0.078 0.000 0.961 110 R CA -0.494 55.675 56.100 0.117 0.000 0.862 110 R CB 2.060 32.441 30.300 0.135 0.000 1.144 110 R HN 0.231 8.513 8.270 0.019 0.000 0.447 111 L N 5.718 126.996 121.223 0.091 0.000 2.476 111 L HA 0.415 nan 4.340 nan 0.000 0.269 111 L C -2.699 174.218 176.870 0.079 0.000 0.965 111 L CA -0.311 54.559 54.840 0.049 0.000 0.845 111 L CB 3.579 45.635 42.059 -0.005 0.000 1.259 111 L HN 0.851 9.141 8.230 0.099 0.000 0.403 112 E N 3.535 123.779 120.200 0.074 0.000 2.302 112 E HA 0.244 nan 4.350 nan 0.000 0.263 112 E C -1.471 175.150 176.600 0.035 0.000 0.897 112 E CA -1.330 55.113 56.400 0.071 0.000 0.809 112 E CB 1.904 31.661 29.700 0.094 0.000 1.270 112 E HN 0.087 8.479 8.360 0.052 0.000 0.410 113 V N 3.473 123.418 119.914 0.052 0.000 2.432 113 V HA 0.300 nan 4.120 nan 0.000 0.275 113 V C -1.214 174.855 176.094 -0.041 0.000 1.043 113 V CA -3.108 59.205 62.300 0.022 0.000 0.925 113 V CB 0.406 32.315 31.823 0.142 0.000 0.985 113 V HN 0.579 8.817 8.190 0.080 0.000 0.466 114 P HA 0.060 nan 4.420 nan 0.000 0.271 114 P C 0.078 177.254 177.300 -0.206 0.000 1.226 114 P CA -0.070 62.957 63.100 -0.120 0.000 0.765 114 P CB -0.201 31.436 31.700 -0.106 0.000 0.835 115 G N 4.342 113.069 108.800 -0.121 0.000 2.132 115 G HA2 -0.396 nan 3.960 nan 0.000 0.234 115 G HA3 -0.396 nan 3.960 nan 0.000 0.234 115 G C -1.501 173.408 174.900 0.015 0.000 0.989 115 G CA 0.044 45.078 45.100 -0.109 0.000 0.676 115 G HN 0.594 8.843 8.290 -0.067 0.000 0.522 116 Y N -1.120 119.161 120.300 -0.031 0.000 2.457 116 Y HA 0.142 nan 4.550 nan 0.000 0.343 116 Y C -1.547 174.329 175.900 -0.039 0.000 0.994 116 Y CA -3.139 54.945 58.100 -0.027 0.000 1.031 116 Y CB 2.272 40.718 38.460 -0.023 0.000 1.246 116 Y HN -0.836 7.458 8.280 0.076 0.032 0.449 117 E N 2.353 122.626 120.200 0.121 0.000 2.354 117 E HA 0.027 nan 4.350 nan 0.000 0.269 117 E C 0.243 176.863 176.600 0.033 0.000 1.036 117 E CA -0.559 55.867 56.400 0.044 0.000 0.876 117 E CB 0.899 30.637 29.700 0.063 0.000 1.009 117 E HN 0.640 9.072 8.360 0.119 0.000 0.416 118 A N 4.707 127.521 122.820 -0.009 0.000 1.986 118 A HA -0.379 nan 4.320 nan 0.000 0.220 118 A C 1.250 178.886 177.584 0.087 0.000 1.171 118 A CA 3.572 55.628 52.037 0.032 0.000 0.640 118 A CB -0.149 18.869 19.000 0.029 0.000 0.811 118 A HN 0.225 8.578 8.150 -0.111 -0.270 0.451 119 D N -3.431 117.050 120.400 0.135 0.000 2.183 119 D HA -0.247 nan 4.640 nan 0.000 0.203 119 D C 1.864 178.181 176.300 0.029 0.000 0.969 119 D CA 3.095 57.157 54.000 0.104 0.000 0.842 119 D CB -0.623 40.259 40.800 0.137 0.000 0.957 119 D HN 0.104 8.540 8.370 0.166 0.033 0.484 120 D N 0.791 121.188 120.400 -0.006 0.000 2.103 120 D HA -0.143 nan 4.640 nan 0.000 0.199 120 D C 2.389 178.626 176.300 -0.104 0.000 0.978 120 D CA 3.255 57.206 54.000 -0.083 0.000 0.829 120 D CB 0.168 40.873 40.800 -0.158 0.000 0.981 120 D HN -0.565 7.715 8.370 0.013 0.098 0.464 121 V N 0.938 120.806 119.914 -0.076 0.000 2.255 121 V HA -0.418 nan 4.120 nan 0.000 0.247 121 V C 1.951 178.038 176.094 -0.013 0.000 1.051 121 V CA 4.547 66.823 62.300 -0.040 0.000 1.018 121 V CB -0.609 31.230 31.823 0.027 0.000 0.641 121 V HN -0.392 7.769 8.190 -0.049 0.000 0.445 122 L N -1.696 119.528 121.223 0.002 0.000 1.971 122 L HA -0.559 nan 4.340 nan 0.000 0.215 122 L C 1.920 178.791 176.870 0.003 0.000 1.072 122 L CA 3.667 58.513 54.840 0.010 0.000 0.758 122 L CB -0.977 41.093 42.059 0.018 0.000 0.889 122 L HN -0.191 8.046 8.230 0.011 0.000 0.433 123 A N -2.143 120.672 122.820 -0.009 0.000 1.903 123 A HA -0.505 nan 4.320 nan 0.000 0.219 123 A C 2.112 179.685 177.584 -0.018 0.000 1.191 123 A CA 3.379 55.406 52.037 -0.016 0.000 0.638 123 A CB -1.027 17.959 19.000 -0.024 0.000 0.823 123 A HN 0.162 8.307 8.150 -0.008 0.000 0.451 124 S N -0.396 115.290 115.700 -0.024 0.000 2.345 124 S HA -0.300 nan 4.470 nan 0.000 0.220 124 S C 2.002 176.626 174.600 0.039 0.000 1.031 124 S CA 4.523 62.716 58.200 -0.011 0.000 0.996 124 S CB -0.247 62.930 63.200 -0.038 0.000 0.882 124 S HN -0.496 7.789 8.310 -0.042 0.000 0.445 125 L N 0.706 121.969 121.223 0.068 0.000 2.013 125 L HA -0.490 nan 4.340 nan 0.000 0.212 125 L C 1.854 178.792 176.870 0.113 0.000 1.073 125 L CA 3.340 58.283 54.840 0.171 0.000 0.753 125 L CB -0.724 41.428 42.059 0.155 0.000 0.890 125 L HN 0.174 8.427 8.230 0.039 0.000 0.432 126 A N -1.017 121.821 122.820 0.030 0.000 1.841 126 A HA -0.442 nan 4.320 nan 0.000 0.216 126 A C 1.864 179.410 177.584 -0.064 0.000 1.199 126 A CA 3.512 55.529 52.037 -0.033 0.000 0.621 126 A CB -0.903 18.079 19.000 -0.029 0.000 0.835 126 A HN 0.500 8.672 8.150 0.029 -0.004 0.445 127 K N -2.057 118.321 120.400 -0.036 0.000 2.032 127 K HA -0.361 nan 4.320 nan 0.000 0.209 127 K C 2.344 178.920 176.600 -0.040 0.000 1.048 127 K CA 2.770 59.034 56.287 -0.039 0.000 0.927 127 K CB -0.455 32.030 32.500 -0.024 0.000 0.712 127 K HN -0.294 7.944 8.250 -0.021 0.000 0.441 128 K N -0.583 119.816 120.400 -0.002 0.000 2.032 128 K HA -0.374 nan 4.320 nan 0.000 0.209 128 K C 2.177 178.719 176.600 -0.097 0.000 1.048 128 K CA 3.302 59.608 56.287 0.031 0.000 0.927 128 K CB -0.074 32.528 32.500 0.171 0.000 0.712 128 K HN 0.217 8.375 8.250 0.024 0.107 0.441 129 A N -1.752 120.843 122.820 -0.374 0.000 1.858 129 A HA -0.297 nan 4.320 nan 0.000 0.216 129 A C 1.997 179.467 177.584 -0.189 0.000 1.190 129 A CA 3.196 54.782 52.037 -0.751 0.000 0.617 129 A CB -1.113 17.158 19.000 -1.214 0.000 0.827 129 A HN 0.044 8.023 8.150 -0.286 0.000 0.443 130 E N -0.968 119.140 120.200 -0.153 0.000 2.070 130 E HA -0.387 nan 4.350 nan 0.000 0.197 130 E C 2.540 179.100 176.600 -0.067 0.000 1.004 130 E CA 3.046 59.391 56.400 -0.091 0.000 0.805 130 E CB 0.033 29.677 29.700 -0.093 0.000 0.744 130 E HN -0.067 8.185 8.360 -0.180 0.000 0.451 131 K N 0.184 120.551 120.400 -0.054 0.000 2.032 131 K HA -0.221 nan 4.320 nan 0.000 0.209 131 K C 1.972 178.553 176.600 -0.032 0.000 1.048 131 K CA 2.114 58.380 56.287 -0.035 0.000 0.927 131 K CB -0.194 32.297 32.500 -0.015 0.000 0.712 131 K HN -0.050 8.165 8.250 -0.060 0.000 0.441 132 E N -2.216 117.981 120.200 -0.005 0.000 2.482 132 E HA -0.101 nan 4.350 nan 0.000 0.200 132 E C 0.045 176.547 176.600 -0.164 0.000 1.147 132 E CA -0.257 56.150 56.400 0.012 0.000 0.912 132 E CB -0.420 29.396 29.700 0.195 0.000 0.938 132 E HN -0.225 7.970 8.360 -0.004 0.162 0.519 133 G N -3.141 105.561 108.800 -0.163 0.000 2.153 133 G HA2 -0.459 nan 3.960 nan 0.000 0.252 133 G HA3 -0.459 nan 3.960 nan 0.000 0.252 133 G C -1.018 173.670 174.900 -0.353 0.000 0.994 133 G CA 0.514 45.463 45.100 -0.252 0.000 0.698 133 G HN -0.230 7.803 8.290 -0.098 0.197 0.521 134 Y N -0.825 119.372 120.300 -0.171 0.000 2.458 134 Y HA 0.367 nan 4.550 nan 0.000 0.322 134 Y C -1.148 174.654 175.900 -0.164 0.000 1.259 134 Y CA -1.185 56.810 58.100 -0.175 0.000 1.302 134 Y CB 1.783 40.081 38.460 -0.270 0.000 1.314 134 Y HN -0.259 7.985 8.280 -0.005 0.033 0.509 135 E N 0.104 120.331 120.200 0.045 0.000 2.151 135 E HA 0.403 nan 4.350 nan 0.000 0.275 135 E C -1.608 174.963 176.600 -0.048 0.000 0.936 135 E CA -1.310 55.066 56.400 -0.041 0.000 0.777 135 E CB 2.497 32.174 29.700 -0.038 0.000 1.108 135 E HN 0.338 8.762 8.360 0.106 0.000 0.401 136 V N 5.327 125.181 119.914 -0.101 0.000 2.555 136 V HA 0.774 nan 4.120 nan 0.000 0.302 136 V C -1.440 174.608 176.094 -0.077 0.000 1.038 136 V CA -1.476 60.770 62.300 -0.090 0.000 0.887 136 V CB 2.176 33.935 31.823 -0.108 0.000 0.991 136 V HN 0.970 8.958 8.190 -0.147 0.113 0.434 137 R N 3.700 124.176 120.500 -0.040 0.000 2.451 137 R HA 0.742 nan 4.340 nan 0.000 0.307 137 R C -1.194 175.094 176.300 -0.020 0.000 0.965 137 R CA -1.403 54.689 56.100 -0.014 0.000 0.865 137 R CB 2.635 32.933 30.300 -0.003 0.000 1.174 137 R HN 0.824 9.072 8.270 -0.038 0.000 0.455 138 I N 4.623 125.184 120.570 -0.015 0.000 2.297 138 I HA 0.348 nan 4.170 nan 0.000 0.291 138 I C -1.117 174.983 176.117 -0.030 0.000 1.033 138 I CA -0.851 60.436 61.300 -0.020 0.000 1.253 138 I CB 0.985 38.978 38.000 -0.013 0.000 1.396 138 I HN 0.946 9.153 8.210 -0.004 0.000 0.476 139 L N 9.698 130.891 121.223 -0.050 0.000 2.342 139 L HA 0.332 nan 4.340 nan 0.000 0.285 139 L C -2.123 174.696 176.870 -0.085 0.000 1.095 139 L CA 0.007 54.799 54.840 -0.081 0.000 0.843 139 L CB -0.229 41.764 42.059 -0.111 0.000 1.201 139 L HN 0.872 8.965 8.230 -0.047 0.109 0.445 140 T N 7.064 121.559 114.554 -0.099 0.000 2.677 140 T HA 0.227 nan 4.350 nan 0.000 0.305 140 T C -2.653 171.925 174.700 -0.203 0.000 1.569 140 T CA -0.675 61.360 62.100 -0.108 0.000 0.984 140 T CB 2.020 70.853 68.868 -0.058 0.000 1.629 140 T HN 0.695 8.874 8.240 -0.100 0.000 0.494 141 A N -1.239 121.458 122.820 -0.205 0.000 2.263 141 A HA 0.396 nan 4.320 nan 0.000 0.200 141 A C -0.965 176.544 177.584 -0.126 0.000 1.428 141 A CA 0.022 51.897 52.037 -0.269 0.000 1.050 141 A CB 2.319 21.130 19.000 -0.315 0.000 1.226 141 A HN 0.370 8.440 8.150 -0.133 0.000 0.501 142 D N -0.497 119.796 120.400 -0.177 0.000 2.382 142 D HA -0.124 nan 4.640 nan 0.000 0.259 142 D C 0.848 176.941 176.300 -0.345 0.000 1.224 142 D CA 0.419 54.286 54.000 -0.221 0.000 0.894 142 D CB 0.397 41.015 40.800 -0.304 0.000 1.127 142 D HN -0.637 7.634 8.370 -0.165 0.000 0.487 143 K N 4.017 124.192 120.400 -0.374 0.000 2.286 143 K HA -0.422 nan 4.320 nan 0.000 0.203 143 K C 1.566 177.815 176.600 -0.585 0.000 1.045 143 K CA 3.197 58.982 56.287 -0.838 0.000 0.935 143 K CB -0.378 32.056 32.500 -0.110 0.000 0.737 143 K HN 0.258 8.405 8.250 -0.171 0.000 0.460 144 D N 0.472 120.805 120.400 -0.111 0.000 2.126 144 D HA -0.306 nan 4.640 nan 0.000 0.190 144 D C 2.176 178.474 176.300 -0.004 0.000 1.001 144 D CA 3.411 57.471 54.000 0.101 0.000 0.841 144 D CB -0.637 40.179 40.800 0.028 0.000 0.949 144 D HN -0.000 8.254 8.370 -0.122 0.042 0.446 145 L N -1.497 119.633 121.223 -0.155 0.000 2.556 145 L HA -0.361 nan 4.340 nan 0.000 0.230 145 L C 2.359 179.192 176.870 -0.063 0.000 1.163 145 L CA 2.069 56.851 54.840 -0.096 0.000 0.819 145 L CB -0.677 41.332 42.059 -0.083 0.000 0.939 145 L HN -0.683 7.418 8.230 -0.215 0.000 0.452 146 Y N -0.812 119.304 120.300 -0.307 0.000 2.497 146 Y HA -0.323 nan 4.550 nan 0.000 0.292 146 Y C 1.669 177.346 175.900 -0.371 0.000 1.137 146 Y CA 0.573 58.342 58.100 -0.552 0.000 1.285 146 Y CB -1.605 36.071 38.460 -1.308 0.000 0.991 146 Y HN 0.127 7.902 8.280 -0.555 0.172 0.556 147 Q N -1.362 118.457 119.800 0.031 0.000 2.230 147 Q HA -0.193 nan 4.340 nan 0.000 0.202 147 Q C 1.137 177.155 176.000 0.030 0.000 0.963 147 Q CA 2.126 57.994 55.803 0.108 0.000 0.866 147 Q CB -0.071 28.784 28.738 0.196 0.000 0.931 147 Q HN -0.319 7.955 8.270 0.074 0.041 0.452 148 L N -2.416 118.813 121.223 0.009 0.000 2.095 148 L HA -0.110 nan 4.340 nan 0.000 0.204 148 L C 0.586 177.441 176.870 -0.025 0.000 1.080 148 L CA 0.924 55.758 54.840 -0.009 0.000 0.759 148 L CB 0.565 42.617 42.059 -0.013 0.000 0.914 148 L HN -0.584 7.505 8.230 0.010 0.147 0.439 149 L N -1.894 119.314 121.223 -0.025 0.000 2.954 149 L HA -0.418 nan 4.340 nan 0.000 0.316 149 L C -0.710 176.144 176.870 -0.027 0.000 1.192 149 L CA 1.763 56.587 54.840 -0.026 0.000 0.863 149 L CB 0.207 42.222 42.059 -0.074 0.000 1.198 149 L HN -0.941 7.280 8.230 -0.015 0.000 0.519 150 S N 2.931 118.626 115.700 -0.009 0.000 2.755 150 S HA 0.137 nan 4.470 nan 0.000 0.286 150 S C -2.525 172.064 174.600 -0.018 0.000 1.207 150 S CA -1.552 56.635 58.200 -0.022 0.000 0.892 150 S CB 2.235 65.401 63.200 -0.056 0.000 1.240 150 S HN 0.695 8.901 8.310 0.002 0.106 0.525 151 D N -1.323 119.059 120.400 -0.031 0.000 2.339 151 D HA 0.079 nan 4.640 nan 0.000 0.245 151 D C 0.947 177.121 176.300 -0.210 0.000 1.115 151 D CA 0.015 53.993 54.000 -0.037 0.000 0.917 151 D CB 0.417 41.216 40.800 -0.002 0.000 1.192 151 D HN 0.130 8.480 8.370 -0.032 0.000 0.428 152 R N -3.486 116.813 120.500 -0.335 0.000 2.248 152 R HA -0.440 nan 4.340 nan 0.000 0.154 152 R C -0.292 175.746 176.300 -0.437 0.000 0.881 152 R CA 3.007 58.916 56.100 -0.318 0.000 1.877 152 R CB -1.757 28.441 30.300 -0.169 0.000 0.832 152 R HN 0.611 8.710 8.270 -0.286 0.000 0.665 153 I N 2.178 122.507 120.570 -0.403 0.000 2.291 153 I HA 0.286 nan 4.170 nan 0.000 0.290 153 I C -1.370 174.578 176.117 -0.280 0.000 1.050 153 I CA -0.432 60.699 61.300 -0.281 0.000 1.245 153 I CB -0.361 37.555 38.000 -0.140 0.000 1.405 153 I HN -0.101 7.833 8.210 -0.313 0.088 0.478 154 H N 6.705 125.743 119.070 -0.053 0.000 2.771 154 H HA 0.691 nan 4.556 nan 0.000 0.367 154 H C -1.442 173.847 175.328 -0.065 0.000 1.172 154 H CA -2.185 53.821 56.048 -0.070 0.000 1.186 154 H CB 4.003 33.721 29.762 -0.072 0.000 1.790 154 H HN 0.865 8.941 8.280 -0.164 0.105 0.556 155 V N -0.688 119.265 119.914 0.065 0.000 2.667 155 V HA 0.577 nan 4.120 nan 0.000 0.308 155 V C -1.533 174.554 176.094 -0.012 0.000 1.048 155 V CA -0.998 61.317 62.300 0.024 0.000 0.928 155 V CB 2.319 34.186 31.823 0.073 0.000 1.004 155 V HN 0.320 8.534 8.190 0.040 0.000 0.444 156 L N 4.495 125.712 121.223 -0.010 0.000 2.319 156 L HA 0.571 nan 4.340 nan 0.000 0.281 156 L C -1.842 175.026 176.870 -0.003 0.000 1.005 156 L CA -0.868 53.955 54.840 -0.027 0.000 0.828 156 L CB 1.816 43.845 42.059 -0.050 0.000 1.227 156 L HN 0.834 8.947 8.230 -0.009 0.113 0.415 157 H N 8.823 127.863 119.070 -0.051 0.000 2.511 157 H HA 0.274 nan 4.556 nan 0.000 0.346 157 H C -1.797 173.474 175.328 -0.095 0.000 1.128 157 H CA -0.849 55.196 56.048 -0.005 0.000 1.342 157 H CB 1.309 31.163 29.762 0.153 0.000 1.470 157 H HN -0.024 8.320 8.280 0.106 0.000 0.546 158 P HA -0.185 nan 4.420 nan 0.000 0.213 158 P C 0.082 177.421 177.300 0.064 0.000 1.170 158 P CA 1.584 64.639 63.100 -0.075 0.000 0.898 158 P CB 0.207 31.823 31.700 -0.139 0.000 0.787 159 E N -2.142 118.242 120.200 0.307 0.000 2.108 159 E HA -0.241 nan 4.350 nan 0.000 0.203 159 E C 0.260 176.664 176.600 -0.326 0.000 1.022 159 E CA 1.123 57.521 56.400 -0.004 0.000 0.823 159 E CB 0.297 29.951 29.700 -0.077 0.000 0.744 159 E HN 0.245 8.926 8.360 0.534 0.000 0.456 160 G N -5.045 103.415 108.800 -0.566 0.000 2.404 160 G HA2 -0.116 nan 3.960 nan 0.000 0.253 160 G HA3 -0.116 nan 3.960 nan 0.000 0.253 160 G C -2.467 171.927 174.900 -0.843 0.000 1.253 160 G CA -0.344 44.347 45.100 -0.683 0.000 0.917 160 G HN -0.838 7.231 8.290 -0.377 -0.005 0.480 161 Y N -5.397 114.798 120.300 -0.174 0.000 2.520 161 Y HA -0.453 nan 4.550 nan 0.000 0.058 161 Y C -1.670 174.011 175.900 -0.365 0.000 1.712 161 Y CA -0.333 57.571 58.100 -0.326 0.000 1.409 161 Y CB -0.898 37.209 38.460 -0.587 0.000 2.055 161 Y HN -0.094 7.915 8.280 -0.452 0.000 0.256 162 L N 2.573 123.670 121.223 -0.210 0.000 2.292 162 L HA 0.494 nan 4.340 nan 0.000 0.284 162 L C -0.783 175.799 176.870 -0.480 0.000 1.065 162 L CA -0.815 53.879 54.840 -0.244 0.000 0.806 162 L CB 0.826 42.769 42.059 -0.195 0.000 1.175 162 L HN -0.053 8.064 8.230 -0.188 0.000 0.431 163 I N 5.305 125.587 120.570 -0.479 0.000 2.315 163 I HA 0.264 nan 4.170 nan 0.000 0.291 163 I C -1.181 174.701 176.117 -0.392 0.000 1.006 163 I CA -1.951 58.908 61.300 -0.734 0.000 1.265 163 I CB -0.692 36.865 38.000 -0.739 0.000 1.387 163 I HN 0.879 8.809 8.210 -0.286 0.109 0.475 164 T N 3.070 117.460 114.554 -0.274 0.000 2.864 164 T HA 0.533 nan 4.350 nan 0.000 0.289 164 T C -1.634 173.052 174.700 -0.023 0.000 1.082 164 T CA -2.500 59.496 62.100 -0.173 0.000 1.009 164 T CB 1.097 69.761 68.868 -0.340 0.000 1.234 164 T HN 0.029 8.163 8.240 -0.176 0.000 0.526 165 P HA -0.140 nan 4.420 nan 0.000 0.218 165 P C 0.364 177.702 177.300 0.063 0.000 1.149 165 P CA 2.796 65.896 63.100 -0.000 0.000 0.817 165 P CB -0.149 31.562 31.700 0.018 0.000 0.785 166 A N -2.512 120.366 122.820 0.097 0.000 1.873 166 A HA -0.235 nan 4.320 nan 0.000 0.215 166 A C 1.669 179.337 177.584 0.140 0.000 1.186 166 A CA 2.794 54.914 52.037 0.139 0.000 0.616 166 A CB -0.681 18.377 19.000 0.097 0.000 0.823 166 A HN -0.095 8.072 8.150 0.062 0.021 0.442 167 W N -0.025 121.222 121.300 -0.087 0.000 2.301 167 W HA -0.436 nan 4.660 nan 0.000 0.325 167 W C 1.527 177.988 176.519 -0.097 0.000 1.250 167 W CA 3.188 60.459 57.345 -0.123 0.000 1.261 167 W CB 0.053 29.373 29.460 -0.234 0.000 1.157 167 W HN -0.449 7.808 8.180 0.217 0.054 0.473 168 L N -1.934 119.268 121.223 -0.035 0.000 1.971 168 L HA -0.474 nan 4.340 nan 0.000 0.215 168 L C 2.578 179.460 176.870 0.020 0.000 1.072 168 L CA 4.039 58.768 54.840 -0.185 0.000 0.758 168 L CB -1.338 40.560 42.059 -0.269 0.000 0.889 168 L HN 0.204 8.496 8.230 0.104 0.000 0.433 169 W N -0.677 120.577 121.300 -0.077 0.000 2.358 169 W HA -0.368 nan 4.660 nan 0.000 0.303 169 W C 2.180 178.664 176.519 -0.058 0.000 1.208 169 W CA 2.965 60.290 57.345 -0.033 0.000 1.274 169 W CB -0.316 29.135 29.460 -0.015 0.000 1.138 169 W HN 0.049 8.334 8.180 0.174 0.000 0.515 170 E N -2.512 117.750 120.200 0.105 0.000 2.152 170 E HA -0.189 nan 4.350 nan 0.000 0.192 170 E C 1.722 178.234 176.600 -0.147 0.000 0.983 170 E CA 2.580 58.948 56.400 -0.053 0.000 0.818 170 E CB 0.037 29.690 29.700 -0.080 0.000 0.758 170 E HN -0.395 8.029 8.360 0.107 0.000 0.467 171 K N -2.987 117.262 120.400 -0.252 0.000 2.244 171 K HA -0.004 nan 4.320 nan 0.000 0.200 171 K C 1.458 177.978 176.600 -0.134 0.000 1.052 171 K CA 1.318 57.403 56.287 -0.336 0.000 0.980 171 K CB 1.280 33.296 32.500 -0.807 0.000 0.838 171 K HN 0.010 8.076 8.250 -0.306 0.000 0.481 172 Y N -3.493 116.719 120.300 -0.146 0.000 2.535 172 Y HA 0.058 nan 4.550 nan 0.000 0.266 172 Y C 0.560 176.555 175.900 0.158 0.000 1.088 172 Y CA 0.003 58.132 58.100 0.047 0.000 1.285 172 Y CB 1.346 39.842 38.460 0.060 0.000 1.166 172 Y HN -0.116 8.200 8.280 0.239 0.107 0.525 173 G N -1.234 107.774 108.800 0.346 0.000 2.132 173 G HA2 -0.349 nan 3.960 nan 0.000 0.228 173 G HA3 -0.349 nan 3.960 nan 0.000 0.228 173 G C -1.072 174.140 174.900 0.520 0.000 1.000 173 G CA 0.257 45.634 45.100 0.462 0.000 0.693 173 G HN 0.088 8.497 8.290 0.312 0.068 0.515 174 L N -1.868 119.528 121.223 0.288 0.000 2.183 174 L HA 0.527 nan 4.340 nan 0.000 0.253 174 L C -1.009 175.643 176.870 -0.363 0.000 1.048 174 L CA -1.717 53.130 54.840 0.012 0.000 0.890 174 L CB 2.562 44.711 42.059 0.151 0.000 1.476 174 L HN -0.829 7.545 8.230 0.281 0.024 0.455 175 R N -2.201 118.105 120.500 -0.324 0.000 2.725 175 R HA 0.467 nan 4.340 nan 0.000 0.277 175 R C -1.524 174.688 176.300 -0.146 0.000 0.987 175 R CA -2.714 53.159 56.100 -0.379 0.000 0.901 175 R CB 0.855 30.845 30.300 -0.517 0.000 1.207 175 R HN 0.569 9.158 8.270 -0.153 -0.411 0.463 176 P HA -0.328 nan 4.420 nan 0.000 0.216 176 P C 0.600 177.916 177.300 0.027 0.000 1.154 176 P CA 3.126 66.204 63.100 -0.036 0.000 0.865 176 P CB -0.281 31.379 31.700 -0.067 0.000 0.789 177 D N -3.960 116.424 120.400 -0.027 0.000 2.265 177 D HA -0.187 nan 4.640 nan 0.000 0.208 177 D C 0.586 176.897 176.300 0.019 0.000 0.977 177 D CA 2.397 56.391 54.000 -0.009 0.000 0.871 177 D CB -1.363 39.414 40.800 -0.038 0.000 0.925 177 D HN 0.513 8.828 8.370 -0.075 0.011 0.485 178 Q N -5.265 114.556 119.800 0.035 0.000 2.115 178 Q HA 0.270 nan 4.340 nan 0.000 0.249 178 Q C -0.126 175.933 176.000 0.097 0.000 0.830 178 Q CA -1.202 54.632 55.803 0.053 0.000 1.104 178 Q CB -0.707 28.053 28.738 0.036 0.000 1.207 178 Q HN -0.063 8.071 8.270 0.031 0.155 0.464 179 W N 3.008 124.268 121.300 -0.067 0.000 2.588 179 W HA -0.074 nan 4.660 nan 0.000 0.277 179 W C 0.065 176.576 176.519 -0.015 0.000 1.221 179 W CA 4.089 61.371 57.345 -0.106 0.000 1.355 179 W CB 1.260 30.614 29.460 -0.177 0.000 1.083 179 W HN 0.234 8.446 8.180 0.225 0.103 0.581 180 A N -1.533 121.363 122.820 0.127 0.000 1.978 180 A HA -0.476 nan 4.320 nan 0.000 0.220 180 A C 1.588 179.131 177.584 -0.069 0.000 1.170 180 A CA 3.492 55.550 52.037 0.034 0.000 0.636 180 A CB -1.028 18.014 19.000 0.070 0.000 0.810 180 A HN -0.217 8.060 8.150 0.211 0.000 0.448 181 D N -1.796 118.574 120.400 -0.050 0.000 2.085 181 D HA -0.309 nan 4.640 nan 0.000 0.199 181 D C 1.658 177.879 176.300 -0.133 0.000 0.981 181 D CA 4.088 58.046 54.000 -0.070 0.000 0.834 181 D CB -0.341 40.442 40.800 -0.029 0.000 0.992 181 D HN -0.470 7.874 8.370 -0.006 0.022 0.457 182 Y N 0.884 120.989 120.300 -0.325 0.000 2.030 182 Y HA -0.494 nan 4.550 nan 0.000 0.272 182 Y C 1.669 177.267 175.900 -0.505 0.000 1.185 182 Y CA 3.216 61.066 58.100 -0.418 0.000 1.120 182 Y CB 0.071 38.252 38.460 -0.466 0.000 0.955 182 Y HN -0.694 7.580 8.280 -0.010 0.000 0.495 183 R N -3.715 116.641 120.500 -0.239 0.000 2.148 183 R HA -0.300 nan 4.340 nan 0.000 0.227 183 R C 2.077 178.226 176.300 -0.252 0.000 1.103 183 R CA 1.895 57.802 56.100 -0.322 0.000 0.983 183 R CB -0.297 29.637 30.300 -0.611 0.000 0.874 183 R HN -0.029 7.969 8.270 -0.454 0.000 0.451 184 A N -0.068 122.622 122.820 -0.218 0.000 1.873 184 A HA -0.214 nan 4.320 nan 0.000 0.218 184 A C 0.782 178.234 177.584 -0.220 0.000 1.193 184 A CA 2.851 54.788 52.037 -0.166 0.000 0.629 184 A CB -0.345 18.581 19.000 -0.123 0.000 0.826 184 A HN -0.508 7.388 8.150 -0.214 0.126 0.447 185 L N -8.418 112.613 121.223 -0.319 0.000 2.934 185 L HA 0.244 nan 4.340 nan 0.000 0.233 185 L C -1.576 175.050 176.870 -0.408 0.000 1.358 185 L CA -0.552 54.045 54.840 -0.405 0.000 1.233 185 L CB -2.379 39.300 42.059 -0.634 0.000 1.594 185 L HN -0.685 7.345 8.230 -0.333 0.000 0.439 186 T N -0.737 113.645 114.554 -0.287 0.000 2.168 186 T HA 0.295 nan 4.350 nan 0.000 0.169 186 T C -1.193 173.419 174.700 -0.148 0.000 0.707 186 T CA -0.267 61.698 62.100 -0.226 0.000 1.189 186 T CB 2.111 70.843 68.868 -0.227 0.000 2.706 186 T HN -0.700 7.309 8.240 -0.245 0.084 0.405 187 G N -1.005 107.734 108.800 -0.103 0.000 3.847 187 G HA2 -0.137 nan 3.960 nan 0.000 0.189 187 G HA3 -0.137 nan 3.960 nan 0.000 0.189 187 G C -1.487 173.393 174.900 -0.033 0.000 0.907 187 G CA 0.393 45.449 45.100 -0.074 0.000 0.893 187 G HN -0.004 8.232 8.290 -0.091 0.000 0.379 188 D N -0.280 120.121 120.400 0.002 0.000 4.207 188 D HA -0.381 nan 4.640 nan 0.000 0.160 188 D C -0.615 175.696 176.300 0.019 0.000 0.724 188 D CA 2.087 56.108 54.000 0.036 0.000 1.104 188 D CB -0.128 40.698 40.800 0.043 0.000 0.509 188 D HN 0.001 8.373 8.370 0.003 0.000 0.475 189 E N 1.290 121.495 120.200 0.007 0.000 2.256 189 E HA 0.285 nan 4.350 nan 0.000 0.268 189 E C -0.863 175.728 176.600 -0.015 0.000 0.877 189 E CA -0.822 55.578 56.400 0.001 0.000 0.757 189 E CB 2.109 31.816 29.700 0.010 0.000 1.183 189 E HN -0.074 8.287 8.360 0.001 0.000 0.418 190 S N 1.129 116.819 115.700 -0.017 0.000 3.002 190 S HA -0.360 nan 4.470 nan 0.000 0.289 190 S C -0.250 174.330 174.600 -0.033 0.000 1.309 190 S CA 1.632 59.817 58.200 -0.024 0.000 1.195 190 S CB 0.047 63.235 63.200 -0.021 0.000 1.433 190 S HN 0.554 8.857 8.310 -0.013 0.000 0.711 191 D N 2.107 122.484 120.400 -0.037 0.000 2.713 191 D HA 0.086 nan 4.640 nan 0.000 0.229 191 D C -1.495 174.761 176.300 -0.073 0.000 1.136 191 D CA -1.294 52.677 54.000 -0.049 0.000 1.010 191 D CB -0.693 40.081 40.800 -0.043 0.000 1.084 191 D HN -0.605 7.666 8.370 -0.034 0.079 0.495 192 N N 1.754 120.408 118.700 -0.077 0.000 2.217 192 N HA -0.299 nan 4.740 nan 0.000 0.268 192 N C -1.376 174.056 175.510 -0.129 0.000 1.290 192 N CA 1.652 54.647 53.050 -0.091 0.000 0.831 192 N CB 0.443 38.880 38.487 -0.083 0.000 1.057 192 N HN -0.179 8.111 8.380 -0.066 0.050 0.481 193 L N 3.037 124.178 121.223 -0.138 0.000 2.346 193 L HA 0.196 nan 4.340 nan 0.000 0.260 193 L C -2.551 174.202 176.870 -0.195 0.000 1.382 193 L CA -1.553 53.166 54.840 -0.202 0.000 0.807 193 L CB 2.433 44.376 42.059 -0.192 0.000 0.957 193 L HN -0.149 8.015 8.230 -0.110 0.000 0.524 194 P HA 0.275 nan 4.420 nan 0.000 0.287 194 P C -1.666 175.570 177.300 -0.106 0.000 1.307 194 P CA -0.753 62.287 63.100 -0.100 0.000 0.777 194 P CB 0.044 31.722 31.700 -0.037 0.000 0.883 195 G N 1.663 110.438 108.800 -0.042 0.000 3.199 195 G HA2 -0.239 nan 3.960 nan 0.000 0.680 195 G HA3 -0.239 nan 3.960 nan 0.000 0.680 195 G C -1.303 173.620 174.900 0.038 0.000 1.197 195 G CA -0.450 44.690 45.100 0.067 0.000 1.143 195 G HN -0.366 7.897 8.290 -0.044 0.000 0.492 196 V N -2.929 117.019 119.914 0.056 0.000 3.539 196 V HA 0.315 nan 4.120 nan 0.000 0.262 196 V C 0.231 176.386 176.094 0.102 0.000 1.381 196 V CA 0.091 62.440 62.300 0.082 0.000 1.060 196 V CB 0.939 32.792 31.823 0.051 0.000 0.842 196 V HN 0.049 8.270 8.190 0.052 0.000 0.445 197 K N 0.170 120.612 120.400 0.070 0.000 4.636 197 K HA -0.348 nan 4.320 nan 0.000 0.209 197 K C -0.817 175.801 176.600 0.030 0.000 0.939 197 K CA 1.708 58.022 56.287 0.045 0.000 0.667 197 K CB -1.009 31.514 32.500 0.039 0.000 0.733 197 K HN 0.121 8.408 8.250 0.062 0.000 0.724 198 G N -1.373 107.437 108.800 0.016 0.000 3.594 198 G HA2 -0.095 nan 3.960 nan 0.000 0.107 198 G HA3 -0.095 nan 3.960 nan 0.000 0.107 198 G C -1.936 172.941 174.900 -0.037 0.000 1.307 198 G CA 0.147 45.248 45.100 0.002 0.000 1.089 198 G HN -0.068 8.227 8.290 0.009 0.000 0.364 199 I N -0.084 120.454 120.570 -0.053 0.000 8.155 199 I HA -0.248 nan 4.170 nan 0.000 0.126 199 I C 0.170 176.245 176.117 -0.070 0.000 1.850 199 I CA 0.351 61.601 61.300 -0.083 0.000 2.041 199 I CB -0.745 37.165 38.000 -0.150 0.000 3.776 199 I HN 0.154 8.341 8.210 -0.038 0.000 0.170 200 G N 5.832 114.600 108.800 -0.053 0.000 2.283 200 G HA2 -0.356 nan 3.960 nan 0.000 0.280 200 G HA3 -0.356 nan 3.960 nan 0.000 0.280 200 G C -0.208 174.674 174.900 -0.029 0.000 1.029 200 G CA 0.532 45.607 45.100 -0.041 0.000 0.840 200 G HN 0.429 8.689 8.290 -0.050 0.000 0.505 201 E N -6.910 113.277 120.200 -0.023 0.000 3.253 201 E HA -0.451 nan 4.350 nan 0.000 0.284 201 E C -0.430 176.166 176.600 -0.006 0.000 0.958 201 E CA 1.483 57.876 56.400 -0.012 0.000 0.917 201 E CB -1.633 28.061 29.700 -0.010 0.000 1.466 201 E HN 0.232 8.555 8.360 -0.026 0.021 0.455 202 K N -2.803 117.591 120.400 -0.010 0.000 2.486 202 K HA -0.084 nan 4.320 nan 0.000 0.194 202 K C 1.193 177.814 176.600 0.035 0.000 1.033 202 K CA -0.273 56.018 56.287 0.007 0.000 1.004 202 K CB -0.522 31.974 32.500 -0.006 0.000 0.798 202 K HN 0.044 8.108 8.250 -0.024 0.171 0.495 203 T N -6.477 108.094 114.554 0.029 0.000 13.499 203 T HA -0.426 nan 4.350 nan 0.000 0.419 203 T C -0.200 174.568 174.700 0.114 0.000 1.441 203 T CA 2.364 64.493 62.100 0.049 0.000 2.353 203 T CB -1.538 67.349 68.868 0.031 0.000 2.795 203 T HN 0.061 8.225 8.240 0.010 0.082 0.547 204 A N 1.086 123.977 122.820 0.119 0.000 2.458 204 A HA 0.210 nan 4.320 nan 0.000 0.152 204 A C 1.191 178.793 177.584 0.029 0.000 1.790 204 A CA 0.761 52.904 52.037 0.176 0.000 1.327 204 A CB 1.108 20.148 19.000 0.066 0.000 1.572 204 A HN -0.120 8.071 8.150 0.068 0.000 0.416 205 R N -0.553 119.946 120.500 -0.002 0.000 2.075 205 R HA -0.087 nan 4.340 nan 0.000 0.220 205 R C 1.726 178.017 176.300 -0.016 0.000 1.118 205 R CA 2.852 58.921 56.100 -0.052 0.000 0.986 205 R CB 0.134 30.420 30.300 -0.024 0.000 0.884 205 R HN -0.406 7.877 8.270 0.023 0.000 0.439 206 K N -1.761 118.652 120.400 0.021 0.000 2.283 206 K HA -0.199 nan 4.320 nan 0.000 0.202 206 K C 1.457 178.099 176.600 0.069 0.000 1.048 206 K CA 2.194 58.499 56.287 0.030 0.000 0.948 206 K CB -0.038 32.473 32.500 0.019 0.000 0.742 206 K HN -0.419 7.847 8.250 0.026 0.000 0.458 207 L N -2.415 118.887 121.223 0.132 0.000 2.046 207 L HA -0.146 nan 4.340 nan 0.000 0.203 207 L C 0.944 178.025 176.870 0.352 0.000 1.111 207 L CA 1.797 56.817 54.840 0.299 0.000 0.769 207 L CB 0.594 42.972 42.059 0.532 0.000 0.914 207 L HN -0.464 7.811 8.230 0.116 0.025 0.448 208 L N -4.216 117.127 121.223 0.199 0.000 3.799 208 L HA -0.706 nan 4.340 nan 0.000 0.053 208 L C 1.661 178.476 176.870 -0.092 0.000 3.965 208 L CA 2.725 57.374 54.840 -0.319 0.000 1.118 208 L CB -1.842 39.815 42.059 -0.669 0.000 3.270 208 L HN 0.326 8.552 8.230 0.180 0.112 0.734 209 E N -2.555 117.685 120.200 0.065 0.000 2.147 209 E HA -0.464 nan 4.350 nan 0.000 0.199 209 E C 2.527 179.270 176.600 0.239 0.000 1.005 209 E CA 2.569 59.088 56.400 0.199 0.000 0.810 209 E CB -1.014 28.837 29.700 0.251 0.000 0.736 209 E HN 0.285 8.674 8.360 0.047 0.000 0.460 210 E N -0.802 119.578 120.200 0.300 0.000 2.331 210 E HA -0.248 nan 4.350 nan 0.000 0.199 210 E C 1.953 178.751 176.600 0.330 0.000 1.008 210 E CA 2.157 58.718 56.400 0.268 0.000 0.843 210 E CB -0.646 29.143 29.700 0.147 0.000 0.761 210 E HN 0.142 8.649 8.360 0.291 0.027 0.507 211 W N -3.608 117.690 121.300 -0.002 0.000 3.278 211 W HA 0.282 nan 4.660 nan 0.000 0.308 211 W C 0.856 177.383 176.519 0.012 0.000 1.253 211 W CA -2.581 54.762 57.345 -0.003 0.000 1.759 211 W CB -0.903 28.545 29.460 -0.021 0.000 1.093 211 W HN -0.487 8.152 8.180 0.842 0.046 0.648 212 G N -1.710 107.225 108.800 0.225 0.000 2.422 212 G HA2 -0.199 nan 3.960 nan 0.000 0.218 212 G HA3 -0.199 nan 3.960 nan 0.000 0.218 212 G C -0.124 174.849 174.900 0.122 0.000 1.146 212 G CA 0.335 45.517 45.100 0.136 0.000 0.769 212 G HN -0.248 8.010 8.290 0.244 0.178 0.547 213 S N 2.692 118.469 115.700 0.128 0.000 2.686 213 S HA -0.032 nan 4.470 nan 0.000 0.324 213 S C -0.845 173.810 174.600 0.090 0.000 1.172 213 S CA 0.654 58.912 58.200 0.097 0.000 1.127 213 S CB -0.291 62.961 63.200 0.086 0.000 1.338 213 S HN -0.409 7.977 8.310 0.151 0.015 0.547 214 L N 4.936 126.207 121.223 0.080 0.000 2.239 214 L HA -0.269 nan 4.340 nan 0.000 0.598 214 L C -0.925 176.001 176.870 0.092 0.000 1.000 214 L CA 0.885 55.768 54.840 0.072 0.000 1.288 214 L CB -0.044 42.050 42.059 0.058 0.000 1.989 214 L HN 0.003 8.259 8.230 0.077 0.020 0.990 215 E N 1.627 121.875 120.200 0.079 0.000 2.002 215 E HA -0.235 nan 4.350 nan 0.000 0.213 215 E C 0.794 177.457 176.600 0.105 0.000 1.024 215 E CA 2.300 58.750 56.400 0.084 0.000 0.876 215 E CB 0.472 30.206 29.700 0.056 0.000 0.799 215 E HN 0.281 8.679 8.360 0.064 0.000 0.497 216 A N -2.699 120.170 122.820 0.081 0.000 1.287 216 A HA -0.348 nan 4.320 nan 0.000 0.214 216 A C 1.680 179.309 177.584 0.075 0.000 0.508 216 A CA 1.871 53.958 52.037 0.083 0.000 1.100 216 A CB -2.180 16.887 19.000 0.112 0.000 1.468 216 A HN 0.498 8.591 8.150 0.065 0.096 0.723 217 L N -2.702 118.572 121.223 0.086 0.000 2.093 217 L HA -0.076 nan 4.340 nan 0.000 0.208 217 L C 0.117 177.012 176.870 0.041 0.000 1.085 217 L CA 2.485 57.361 54.840 0.060 0.000 0.755 217 L CB 0.254 42.338 42.059 0.042 0.000 0.904 217 L HN -0.551 7.696 8.230 0.112 0.051 0.435 218 L N -1.752 119.494 121.223 0.037 0.000 2.825 218 L HA 0.191 nan 4.340 nan 0.000 0.236 218 L C -1.763 175.129 176.870 0.036 0.000 1.301 218 L CA -0.737 54.122 54.840 0.032 0.000 0.977 218 L CB -0.861 41.210 42.059 0.020 0.000 1.300 218 L HN -0.404 7.851 8.230 0.043 0.000 0.486 219 K N -2.738 117.685 120.400 0.039 0.000 4.967 219 K HA -0.228 nan 4.320 nan 0.000 0.754 219 K C -1.223 175.401 176.600 0.039 0.000 2.286 219 K CA -0.551 55.757 56.287 0.036 0.000 1.773 219 K CB 0.345 32.864 32.500 0.031 0.000 3.115 219 K HN -0.323 7.899 8.250 0.041 0.052 0.182 220 N N 1.636 120.356 118.700 0.035 0.000 1.471 220 N HA -0.410 nan 4.740 nan 0.000 0.436 220 N C -1.453 174.080 175.510 0.038 0.000 1.094 220 N CA 1.843 54.913 53.050 0.033 0.000 0.927 220 N CB 0.327 38.831 38.487 0.028 0.000 0.900 220 N HN 0.229 8.628 8.380 0.031 0.000 0.602 221 L N 1.567 122.810 121.223 0.034 0.000 5.667 221 L HA -0.117 nan 4.340 nan 0.000 0.234 221 L C -1.954 174.933 176.870 0.030 0.000 1.191 221 L CA 0.666 55.526 54.840 0.033 0.000 0.713 221 L CB 0.148 42.233 42.059 0.044 0.000 1.428 221 L HN 0.027 8.275 8.230 0.030 0.000 0.192 222 D N 6.095 126.508 120.400 0.020 0.000 2.825 222 D HA 0.127 nan 4.640 nan 0.000 0.249 222 D C -0.412 175.893 176.300 0.009 0.000 1.286 222 D CA -0.463 53.546 54.000 0.016 0.000 1.168 222 D CB 1.124 41.931 40.800 0.012 0.000 0.926 222 D HN 0.260 8.640 8.370 0.018 0.000 0.216 223 R N -0.461 120.040 120.500 0.002 0.000 2.504 223 R HA -0.087 nan 4.340 nan 0.000 0.291 223 R C -0.682 175.610 176.300 -0.014 0.000 0.974 223 R CA 1.181 57.277 56.100 -0.006 0.000 1.077 223 R CB 0.159 30.455 30.300 -0.008 0.000 0.926 223 R HN -0.049 8.223 8.270 0.003 0.000 0.407 224 L N 3.019 124.228 121.223 -0.025 0.000 2.838 224 L HA 0.169 nan 4.340 nan 0.000 0.266 224 L C -1.495 175.337 176.870 -0.064 0.000 1.040 224 L CA -0.771 54.042 54.840 -0.045 0.000 0.906 224 L CB 2.075 44.105 42.059 -0.047 0.000 1.501 224 L HN -0.052 8.163 8.230 -0.024 0.000 0.407 225 K N 1.505 121.850 120.400 -0.091 0.000 2.542 225 K HA 0.013 nan 4.320 nan 0.000 0.276 225 K C -1.392 175.139 176.600 -0.115 0.000 0.963 225 K CA -0.430 55.793 56.287 -0.107 0.000 0.975 225 K CB -0.738 31.676 32.500 -0.143 0.000 0.901 225 K HN 0.136 8.329 8.250 -0.095 0.000 0.506 226 P HA -0.246 nan 4.420 nan 0.000 0.273 226 P C -0.407 176.825 177.300 -0.112 0.000 1.252 226 P CA 0.813 63.866 63.100 -0.078 0.000 0.809 226 P CB 0.496 32.160 31.700 -0.060 0.000 1.017 227 A N -1.595 121.183 122.820 -0.070 0.000 2.290 227 A HA -0.425 nan 4.320 nan 0.000 0.359 227 A C 2.035 179.546 177.584 -0.123 0.000 1.653 227 A CA 2.614 54.615 52.037 -0.060 0.000 1.039 227 A CB -1.884 17.065 19.000 -0.085 0.000 1.478 227 A HN 0.235 8.361 8.150 -0.040 0.000 0.694 228 I N 0.076 120.403 120.570 -0.406 0.000 2.147 228 I HA -0.502 nan 4.170 nan 0.000 0.245 228 I C 0.820 176.794 176.117 -0.239 0.000 1.059 228 I CA 3.399 64.201 61.300 -0.831 0.000 1.320 228 I CB -0.331 37.136 38.000 -0.888 0.000 1.021 228 I HN 0.082 8.041 8.210 -0.394 0.014 0.415 229 R N -4.361 116.069 120.500 -0.117 0.000 2.194 229 R HA 0.073 nan 4.340 nan 0.000 0.194 229 R C 1.276 177.590 176.300 0.024 0.000 0.985 229 R CA 0.223 56.323 56.100 0.000 0.000 1.104 229 R CB 1.637 31.924 30.300 -0.022 0.000 1.092 229 R HN -0.329 7.849 8.270 -0.153 0.000 0.555 230 E N 0.609 120.803 120.200 -0.009 0.000 2.035 230 E HA -0.380 nan 4.350 nan 0.000 0.204 230 E C 1.948 178.569 176.600 0.035 0.000 1.025 230 E CA 3.903 60.304 56.400 0.001 0.000 0.835 230 E CB -0.333 29.356 29.700 -0.018 0.000 0.764 230 E HN -0.585 7.749 8.360 -0.044 0.000 0.457 231 K N -1.702 118.738 120.400 0.066 0.000 2.209 231 K HA -0.244 nan 4.320 nan 0.000 0.204 231 K C 2.899 179.619 176.600 0.199 0.000 1.048 231 K CA 1.958 58.331 56.287 0.145 0.000 0.940 231 K CB -0.661 31.952 32.500 0.188 0.000 0.729 231 K HN -0.364 7.872 8.250 0.042 0.040 0.451 232 I N -0.742 119.939 120.570 0.186 0.000 2.113 232 I HA -0.392 nan 4.170 nan 0.000 0.238 232 I C 2.182 178.372 176.117 0.123 0.000 1.070 232 I CA 3.858 65.270 61.300 0.185 0.000 1.332 232 I CB 0.245 38.365 38.000 0.201 0.000 1.044 232 I HN -0.685 7.537 8.210 0.170 0.090 0.402 233 L N -4.326 116.945 121.223 0.079 0.000 2.217 233 L HA -0.130 nan 4.340 nan 0.000 0.211 233 L C 1.238 178.117 176.870 0.016 0.000 1.107 233 L CA 1.992 56.858 54.840 0.044 0.000 0.783 233 L CB -1.041 41.033 42.059 0.026 0.000 0.919 233 L HN -0.188 8.088 8.230 0.077 0.000 0.442 234 A N -2.853 119.965 122.820 -0.003 0.000 2.543 234 A HA -0.059 nan 4.320 nan 0.000 0.258 234 A C -0.911 176.519 177.584 -0.256 0.000 1.391 234 A CA 0.230 52.201 52.037 -0.109 0.000 1.066 234 A CB -0.939 17.990 19.000 -0.118 0.000 0.972 234 A HN -0.083 8.080 8.150 0.022 0.000 0.560 235 H N -2.005 117.066 119.070 0.000 0.000 3.212 235 H HA 0.072 nan 4.556 nan 0.000 0.214 235 H C -1.721 173.592 175.328 -0.025 0.000 1.287 235 H CA -0.878 55.162 56.048 -0.013 0.000 1.391 235 H CB -0.076 29.679 29.762 -0.011 0.000 2.270 235 H HN -0.732 7.450 8.280 0.046 0.125 0.582 236 M N -1.002 118.638 119.600 0.066 0.000 2.114 236 M HA 0.074 nan 4.480 nan 0.000 0.293 236 M C 0.254 176.562 176.300 0.013 0.000 1.201 236 M CA 1.424 56.742 55.300 0.029 0.000 1.107 236 M CB 1.012 33.618 32.600 0.010 0.000 1.405 236 M HN 0.019 8.324 8.290 0.025 0.000 0.486 237 D N -2.843 117.538 120.400 -0.031 0.000 3.821 237 D HA -0.437 nan 4.640 nan 0.000 0.204 237 D C 1.637 177.850 176.300 -0.146 0.000 1.303 237 D CA 3.034 56.985 54.000 -0.082 0.000 2.340 237 D CB -1.687 39.082 40.800 -0.051 0.000 1.233 237 D HN 0.520 8.875 8.370 -0.025 0.000 0.420 238 D N 1.422 121.769 120.400 -0.089 0.000 2.133 238 D HA -0.237 nan 4.640 nan 0.000 0.195 238 D C 1.884 178.061 176.300 -0.205 0.000 0.997 238 D CA 2.709 56.622 54.000 -0.145 0.000 0.840 238 D CB -0.085 40.635 40.800 -0.134 0.000 0.947 238 D HN 0.065 8.355 8.370 -0.011 0.073 0.452 239 L N -3.007 118.125 121.223 -0.152 0.000 2.141 239 L HA -0.168 nan 4.340 nan 0.000 0.209 239 L C 1.529 178.254 176.870 -0.241 0.000 1.094 239 L CA 2.390 57.145 54.840 -0.142 0.000 0.763 239 L CB -0.631 41.395 42.059 -0.055 0.000 0.908 239 L HN -0.481 7.693 8.230 -0.093 0.000 0.437 240 K N -2.407 117.780 120.400 -0.355 0.000 2.836 240 K HA -0.158 nan 4.320 nan 0.000 0.236 240 K C -0.762 174.875 176.600 -1.605 0.000 1.015 240 K CA 1.922 57.736 56.287 -0.788 0.000 1.194 240 K CB -1.086 31.138 32.500 -0.460 0.000 1.002 240 K HN -0.389 7.580 8.250 -0.257 0.126 0.479 241 L N -2.498 118.042 121.223 -1.138 0.000 2.249 241 L HA 0.102 nan 4.340 nan 0.000 0.204 241 L C 0.485 177.027 176.870 -0.546 0.000 1.135 241 L CA 1.966 56.244 54.840 -0.937 0.000 1.070 241 L CB 0.842 42.620 42.059 -0.468 0.000 2.194 241 L HN -0.215 7.456 8.230 -0.703 0.137 0.504 242 S N 2.350 117.857 115.700 -0.322 0.000 2.462 242 S HA -0.308 nan 4.470 nan 0.000 0.243 242 S C 1.963 176.570 174.600 0.011 0.000 1.003 242 S CA 4.003 62.120 58.200 -0.139 0.000 0.970 242 S CB -0.103 63.015 63.200 -0.137 0.000 0.762 242 S HN 0.189 8.303 8.310 -0.327 0.000 0.510 243 W N 0.206 121.480 121.300 -0.043 0.000 2.336 243 W HA -0.283 nan 4.660 nan 0.000 0.277 243 W C 0.819 177.322 176.519 -0.028 0.000 1.211 243 W CA -0.348 56.976 57.345 -0.034 0.000 1.187 243 W CB -1.959 27.487 29.460 -0.023 0.000 1.132 243 W HN 0.005 8.174 8.180 -0.100 -0.049 0.562 244 D N 1.343 122.063 120.400 0.532 0.000 2.271 244 D HA -0.339 nan 4.640 nan 0.000 0.207 244 D C 2.846 179.233 176.300 0.146 0.000 0.983 244 D CA 3.072 57.261 54.000 0.316 0.000 0.878 244 D CB -0.840 40.083 40.800 0.205 0.000 0.920 244 D HN 0.021 8.496 8.370 0.419 0.147 0.479 245 L N -0.156 121.130 121.223 0.106 0.000 2.046 245 L HA -0.242 nan 4.340 nan 0.000 0.208 245 L C 0.521 177.430 176.870 0.065 0.000 1.077 245 L CA 2.771 57.645 54.840 0.056 0.000 0.747 245 L CB -0.771 41.289 42.059 0.002 0.000 0.896 245 L HN -0.048 8.211 8.230 0.112 0.039 0.432 246 A N -5.422 117.437 122.820 0.065 0.000 2.302 246 A HA 0.048 nan 4.320 nan 0.000 0.219 246 A C 0.648 178.239 177.584 0.012 0.000 1.243 246 A CA 0.017 52.078 52.037 0.040 0.000 0.856 246 A CB -0.000 19.017 19.000 0.028 0.000 0.893 246 A HN -0.448 7.743 8.150 0.090 0.014 0.491 247 K N 0.998 121.414 120.400 0.026 0.000 3.000 247 K HA -0.005 nan 4.320 nan 0.000 0.265 247 K C -0.730 175.867 176.600 -0.005 0.000 1.260 247 K CA 0.179 56.465 56.287 -0.003 0.000 1.209 247 K CB -1.426 31.097 32.500 0.038 0.000 1.484 247 K HN -0.446 7.609 8.250 0.059 0.231 0.283 248 V N -5.240 114.663 119.914 -0.018 0.000 2.570 248 V HA 0.309 nan 4.120 nan 0.000 0.271 248 V C -0.673 175.393 176.094 -0.045 0.000 1.005 248 V CA -2.423 59.864 62.300 -0.021 0.000 1.111 248 V CB -0.807 31.018 31.823 0.004 0.000 1.259 248 V HN 0.186 8.286 8.190 -0.024 0.075 0.571 249 R N 2.092 122.545 120.500 -0.079 0.000 2.489 249 R HA 0.060 nan 4.340 nan 0.000 0.287 249 R C 0.616 176.861 176.300 -0.090 0.000 1.053 249 R CA 0.153 56.198 56.100 -0.092 0.000 1.036 249 R CB 0.115 30.339 30.300 -0.127 0.000 0.966 249 R HN 0.097 8.678 8.270 -0.089 -0.365 0.432 250 T N -4.034 110.481 114.554 -0.065 0.000 3.086 250 T HA 0.033 nan 4.350 nan 0.000 0.250 250 T C -0.527 174.143 174.700 -0.049 0.000 1.074 250 T CA 0.727 62.796 62.100 -0.050 0.000 0.988 250 T CB -0.664 68.184 68.868 -0.033 0.000 0.988 250 T HN 0.422 8.628 8.240 -0.056 0.000 0.530 251 D N -2.015 118.347 120.400 -0.063 0.000 2.491 251 D HA 0.019 nan 4.640 nan 0.000 0.228 251 D C -0.521 175.743 176.300 -0.060 0.000 1.183 251 D CA -2.057 51.914 54.000 -0.048 0.000 0.827 251 D CB -1.063 39.716 40.800 -0.036 0.000 0.989 251 D HN -0.277 7.971 8.370 -0.078 0.075 0.494 252 L N 2.502 123.662 121.223 -0.105 0.000 2.369 252 L HA 0.175 nan 4.340 nan 0.000 0.279 252 L C -0.994 175.878 176.870 0.004 0.000 1.108 252 L CA -2.655 52.109 54.840 -0.128 0.000 0.852 252 L CB -0.839 41.001 42.059 -0.365 0.000 1.169 252 L HN -0.782 7.326 8.230 -0.118 0.051 0.452 253 P HA 0.192 nan 4.420 nan 0.000 0.273 253 P C -1.291 176.065 177.300 0.094 0.000 1.319 253 P CA -0.351 62.792 63.100 0.072 0.000 0.885 253 P CB -0.942 30.797 31.700 0.064 0.000 1.015 254 L N 2.247 123.512 121.223 0.070 0.000 2.283 254 L HA 0.474 nan 4.340 nan 0.000 0.259 254 L C 0.374 177.254 176.870 0.017 0.000 1.027 254 L CA -0.496 54.377 54.840 0.054 0.000 0.828 254 L CB 0.664 42.761 42.059 0.063 0.000 1.380 254 L HN -0.415 7.850 8.230 0.059 0.000 0.425 255 E N -0.413 119.779 120.200 -0.013 0.000 2.340 255 E HA 0.043 nan 4.350 nan 0.000 0.198 255 E C -0.307 176.233 176.600 -0.101 0.000 0.961 255 E CA -0.341 56.037 56.400 -0.037 0.000 0.905 255 E CB 0.368 30.051 29.700 -0.027 0.000 0.884 255 E HN 0.173 8.526 8.360 -0.012 0.000 0.491 256 V N 3.682 123.508 119.914 -0.147 0.000 2.814 256 V HA -0.203 nan 4.120 nan 0.000 0.298 256 V C -0.835 174.977 176.094 -0.471 0.000 1.195 256 V CA 0.341 62.485 62.300 -0.261 0.000 1.323 256 V CB 0.543 32.202 31.823 -0.274 0.000 0.842 256 V HN -0.421 7.705 8.190 -0.106 0.000 0.494 257 D N 7.449 127.610 120.400 -0.399 0.000 2.175 257 D HA 0.231 nan 4.640 nan 0.000 0.248 257 D C 0.107 176.080 176.300 -0.545 0.000 1.047 257 D CA -0.214 53.530 54.000 -0.427 0.000 0.883 257 D CB 2.282 43.005 40.800 -0.129 0.000 1.180 257 D HN 0.176 8.385 8.370 -0.269 0.000 0.438 258 F N 2.974 122.818 119.950 -0.177 0.000 2.668 258 F HA -0.043 nan 4.527 nan 0.000 0.365 258 F C -0.953 174.743 175.800 -0.173 0.000 1.165 258 F CA -1.185 56.643 58.000 -0.287 0.000 1.344 258 F CB -2.028 36.544 39.000 -0.713 0.000 1.658 258 F HN 0.293 8.427 8.300 -0.277 0.000 0.620 259 A N 1.123 123.920 122.820 -0.038 0.000 2.322 259 A HA 0.130 nan 4.320 nan 0.000 0.269 259 A C -1.000 176.591 177.584 0.011 0.000 1.094 259 A CA -0.617 51.425 52.037 0.010 0.000 0.807 259 A CB 1.148 20.142 19.000 -0.011 0.000 1.047 259 A HN -0.344 7.670 8.150 -0.118 0.066 0.487 260 K N -0.419 119.999 120.400 0.030 0.000 2.436 260 K HA -0.069 nan 4.320 nan 0.000 0.275 260 K C 0.280 176.885 176.600 0.010 0.000 0.999 260 K CA 0.135 56.438 56.287 0.026 0.000 0.980 260 K CB 0.319 32.840 32.500 0.035 0.000 0.919 260 K HN 0.163 8.438 8.250 0.042 0.000 0.484 261 R N 2.534 123.039 120.500 0.008 0.000 2.583 261 R HA -0.232 nan 4.340 nan 0.000 0.274 261 R C 0.053 176.354 176.300 0.002 0.000 0.998 261 R CA 0.951 57.053 56.100 0.002 0.000 1.081 261 R CB -0.276 30.028 30.300 0.006 0.000 0.940 261 R HN 0.206 8.484 8.270 0.013 0.000 0.413 262 R N 4.771 125.268 120.500 -0.004 0.000 2.652 262 R HA -0.027 nan 4.340 nan 0.000 0.272 262 R C -0.412 175.886 176.300 -0.005 0.000 1.162 262 R CA -0.844 55.252 56.100 -0.005 0.000 1.199 262 R CB 0.587 30.880 30.300 -0.011 0.000 1.166 262 R HN 0.031 8.296 8.270 -0.008 0.000 0.597 263 E N 1.917 122.114 120.200 -0.006 0.000 2.328 263 E HA -0.003 nan 4.350 nan 0.000 0.265 263 E C -1.717 174.875 176.600 -0.014 0.000 1.057 263 E CA -1.700 54.697 56.400 -0.005 0.000 0.916 263 E CB 0.106 29.804 29.700 -0.004 0.000 0.993 263 E HN 0.203 8.559 8.360 -0.006 0.000 0.446 264 P HA -0.056 nan 4.420 nan 0.000 0.271 264 P C -1.298 175.980 177.300 -0.036 0.000 1.220 264 P CA -0.538 62.543 63.100 -0.032 0.000 0.768 264 P CB 0.875 32.562 31.700 -0.023 0.000 0.848 265 D N 5.277 125.644 120.400 -0.054 0.000 2.600 265 D HA -0.053 nan 4.640 nan 0.000 0.226 265 D C 0.759 177.031 176.300 -0.046 0.000 1.119 265 D CA -0.952 53.021 54.000 -0.045 0.000 1.051 265 D CB -0.263 40.506 40.800 -0.052 0.000 1.106 265 D HN 0.081 8.407 8.370 -0.073 0.000 0.491 266 R N 2.318 122.800 120.500 -0.030 0.000 2.119 266 R HA -0.510 nan 4.340 nan 0.000 0.246 266 R C 1.664 177.958 176.300 -0.010 0.000 1.146 266 R CA 4.065 60.153 56.100 -0.020 0.000 0.962 266 R CB -0.636 29.665 30.300 0.002 0.000 0.863 266 R HN 0.181 8.394 8.270 -0.021 0.044 0.442 267 E N -0.546 119.651 120.200 -0.004 0.000 2.038 267 E HA -0.322 nan 4.350 nan 0.000 0.195 267 E C 2.349 178.954 176.600 0.008 0.000 1.000 267 E CA 2.671 59.074 56.400 0.005 0.000 0.803 267 E CB -1.044 28.660 29.700 0.005 0.000 0.750 267 E HN 0.138 8.484 8.360 -0.006 0.010 0.448 268 R N -0.840 119.660 120.500 -0.000 0.000 2.075 268 R HA -0.235 nan 4.340 nan 0.000 0.232 268 R C 2.623 178.941 176.300 0.029 0.000 1.126 268 R CA 2.642 58.751 56.100 0.015 0.000 0.963 268 R CB 0.030 30.330 30.300 0.000 0.000 0.858 268 R HN -0.734 7.782 8.270 -0.010 -0.252 0.435 269 L N 0.132 121.334 121.223 -0.034 0.000 2.043 269 L HA -0.384 nan 4.340 nan 0.000 0.212 269 L C 1.059 177.939 176.870 0.017 0.000 1.075 269 L CA 3.316 58.107 54.840 -0.081 0.000 0.752 269 L CB -0.517 41.425 42.059 -0.196 0.000 0.891 269 L HN 0.472 8.670 8.230 -0.054 0.000 0.432 270 R N -1.197 119.317 120.500 0.022 0.000 2.070 270 R HA -0.486 nan 4.340 nan 0.000 0.232 270 R C 1.789 178.135 176.300 0.075 0.000 1.138 270 R CA 3.654 59.786 56.100 0.052 0.000 0.936 270 R CB -0.168 30.157 30.300 0.043 0.000 0.839 270 R HN 0.058 8.330 8.270 0.004 0.000 0.429 271 A N -1.201 121.659 122.820 0.066 0.000 1.917 271 A HA -0.312 nan 4.320 nan 0.000 0.219 271 A C 2.033 179.659 177.584 0.070 0.000 1.182 271 A CA 2.997 55.068 52.037 0.057 0.000 0.633 271 A CB -1.017 18.012 19.000 0.047 0.000 0.819 271 A HN -0.573 7.608 8.150 0.052 0.000 0.448 272 F N -0.232 119.700 119.950 -0.031 0.000 2.031 272 F HA -0.408 nan 4.527 nan 0.000 0.295 272 F C 1.325 177.126 175.800 0.002 0.000 1.133 272 F CA 3.917 61.899 58.000 -0.030 0.000 1.188 272 F CB 0.273 39.231 39.000 -0.070 0.000 0.974 272 F HN 0.270 8.593 8.300 0.227 0.113 0.473 273 L N -2.560 118.804 121.223 0.234 0.000 2.187 273 L HA -0.567 nan 4.340 nan 0.000 0.213 273 L C 2.151 179.071 176.870 0.083 0.000 1.100 273 L CA 3.085 58.032 54.840 0.178 0.000 0.765 273 L CB -0.465 41.739 42.059 0.242 0.000 0.904 273 L HN 0.147 8.585 8.230 0.347 0.000 0.437 274 E N -1.392 118.833 120.200 0.042 0.000 2.112 274 E HA -0.274 nan 4.350 nan 0.000 0.190 274 E C 3.370 179.946 176.600 -0.040 0.000 0.979 274 E CA 2.937 59.345 56.400 0.013 0.000 0.814 274 E CB -0.372 29.340 29.700 0.018 0.000 0.762 274 E HN 0.333 8.724 8.360 0.063 0.007 0.460 275 R N 0.631 121.079 120.500 -0.087 0.000 2.105 275 R HA -0.273 nan 4.340 nan 0.000 0.239 275 R C 2.227 178.449 176.300 -0.130 0.000 1.135 275 R CA 3.373 59.402 56.100 -0.119 0.000 0.967 275 R CB 0.105 30.304 30.300 -0.169 0.000 0.861 275 R HN 0.252 8.364 8.270 -0.083 0.109 0.442 276 L N -4.694 116.435 121.223 -0.157 0.000 2.599 276 L HA -0.065 nan 4.340 nan 0.000 0.230 276 L C -0.166 176.697 176.870 -0.011 0.000 1.141 276 L CA 1.070 55.872 54.840 -0.063 0.000 0.877 276 L CB -0.786 41.251 42.059 -0.036 0.000 1.009 276 L HN -0.454 7.634 8.230 -0.234 0.001 0.447 277 E N -5.705 114.456 120.200 -0.064 0.000 4.028 277 E HA -0.441 nan 4.350 nan 0.000 0.343 277 E C 0.024 176.504 176.600 -0.199 0.000 0.700 277 E CA 2.112 58.421 56.400 -0.152 0.000 1.288 277 E CB -1.563 27.989 29.700 -0.246 0.000 1.677 277 E HN -0.080 8.024 8.360 -0.053 0.224 0.424 278 F N -2.334 117.651 119.950 0.058 0.000 2.713 278 F HA 0.128 nan 4.527 nan 0.000 0.294 278 F C 1.356 177.234 175.800 0.129 0.000 1.152 278 F CA -0.453 57.621 58.000 0.123 0.000 1.385 278 F CB -0.570 38.540 39.000 0.183 0.000 0.981 278 F HN 0.149 8.489 8.300 0.200 0.080 0.514 279 G N 0.478 109.396 108.800 0.196 0.000 2.422 279 G HA2 -0.372 nan 3.960 nan 0.000 0.218 279 G HA3 -0.372 nan 3.960 nan 0.000 0.218 279 G C 0.667 175.679 174.900 0.186 0.000 1.146 279 G CA 2.095 47.295 45.100 0.167 0.000 0.769 279 G HN -0.027 8.234 8.290 0.110 0.095 0.547 280 S N 2.409 118.207 115.700 0.164 0.000 2.462 280 S HA -0.242 nan 4.470 nan 0.000 0.243 280 S C 1.138 175.870 174.600 0.219 0.000 1.003 280 S CA 2.466 60.762 58.200 0.160 0.000 0.970 280 S CB -0.233 63.038 63.200 0.118 0.000 0.762 280 S HN 0.128 8.500 8.310 0.131 0.017 0.510 281 L N -4.435 116.959 121.223 0.284 0.000 2.640 281 L HA 0.423 nan 4.340 nan 0.000 0.230 281 L C 0.806 177.840 176.870 0.273 0.000 1.123 281 L CA 0.064 55.061 54.840 0.262 0.000 0.900 281 L CB -0.022 42.198 42.059 0.268 0.000 1.146 281 L HN -0.651 7.618 8.230 0.331 0.159 0.484 282 L N 1.173 122.599 121.223 0.339 0.000 2.189 282 L HA -0.416 nan 4.340 nan 0.000 0.214 282 L C 0.554 177.624 176.870 0.332 0.000 1.097 282 L CA 3.260 58.346 54.840 0.410 0.000 0.764 282 L CB -0.648 41.561 42.059 0.250 0.000 0.900 282 L HN 0.338 8.572 8.230 0.294 0.172 0.436 283 H N -1.557 117.599 119.070 0.144 0.000 2.394 283 H HA -0.401 nan 4.556 nan 0.000 0.297 283 H C 1.998 177.342 175.328 0.027 0.000 1.113 283 H CA 3.177 59.266 56.048 0.068 0.000 1.277 283 H CB -0.444 29.342 29.762 0.041 0.000 1.370 283 H HN 0.052 8.483 8.280 0.316 0.039 0.506 284 E N -2.346 117.647 120.200 -0.345 0.000 2.152 284 E HA -0.276 nan 4.350 nan 0.000 0.192 284 E C 2.345 178.749 176.600 -0.327 0.000 0.983 284 E CA 2.036 58.140 56.400 -0.495 0.000 0.818 284 E CB -0.515 28.893 29.700 -0.487 0.000 0.758 284 E HN -0.191 8.050 8.360 -0.154 0.027 0.467 285 F N -1.186 118.707 119.950 -0.096 0.000 2.269 285 F HA -0.207 nan 4.527 nan 0.000 0.301 285 F C 1.239 177.013 175.800 -0.044 0.000 1.082 285 F CA 2.422 60.387 58.000 -0.060 0.000 1.360 285 F CB -0.270 38.713 39.000 -0.028 0.000 1.041 285 F HN -0.462 7.705 8.300 -0.030 0.115 0.512 286 G N -3.361 105.517 108.800 0.130 0.000 2.403 286 G HA2 -0.194 nan 3.960 nan 0.000 0.216 286 G HA3 -0.194 nan 3.960 nan 0.000 0.216 286 G C 0.050 174.963 174.900 0.022 0.000 1.154 286 G CA 0.453 45.603 45.100 0.082 0.000 0.784 286 G HN -0.687 7.665 8.290 0.142 0.023 0.538 287 L N 2.401 123.602 121.223 -0.036 0.000 2.679 287 L HA -0.184 nan 4.340 nan 0.000 0.241 287 L C -0.713 176.119 176.870 -0.063 0.000 1.441 287 L CA 1.238 56.038 54.840 -0.067 0.000 1.181 287 L CB -1.972 40.005 42.059 -0.137 0.000 1.451 287 L HN -0.603 7.465 8.230 -0.069 0.120 0.446 288 L N -3.096 118.111 121.223 -0.027 0.000 4.293 288 L HA 0.137 nan 4.340 nan 0.000 0.441 288 L C 0.752 177.621 176.870 -0.003 0.000 0.914 288 L CA 0.551 55.378 54.840 -0.020 0.000 1.791 288 L CB 1.083 43.133 42.059 -0.016 0.000 2.207 288 L HN 0.441 8.595 8.230 -0.010 0.070 0.614 289 E N 0.097 120.301 120.200 0.006 0.000 2.463 289 E HA -0.004 nan 4.350 nan 0.000 0.193 289 E C 0.567 177.170 176.600 0.004 0.000 1.041 289 E CA -0.229 56.177 56.400 0.010 0.000 0.879 289 E CB 0.103 29.814 29.700 0.018 0.000 0.997 289 E HN -0.179 8.186 8.360 0.009 0.000 0.478 290 S N 2.506 118.205 115.700 -0.003 0.000 2.498 290 S HA 0.056 nan 4.470 nan 0.000 0.281 290 S C -1.355 173.243 174.600 -0.003 0.000 1.265 290 S CA -1.191 57.005 58.200 -0.006 0.000 1.071 290 S CB 0.176 63.368 63.200 -0.014 0.000 0.894 290 S HN -0.218 8.069 8.310 -0.007 0.019 0.491 291 P HA -0.093 nan 4.420 nan 0.000 0.266 291 P C -0.894 176.407 177.300 0.002 0.000 1.193 291 P CA -0.229 62.873 63.100 0.004 0.000 0.770 291 P CB 0.396 32.100 31.700 0.007 0.000 0.836 292 K N 0.998 121.400 120.400 0.003 0.000 2.547 292 K HA -0.280 nan 4.320 nan 0.000 0.275 292 K C 0.662 177.263 176.600 0.002 0.000 1.001 292 K CA 0.720 57.008 56.287 0.002 0.000 1.111 292 K CB -0.084 32.418 32.500 0.004 0.000 0.832 292 K HN 0.053 8.306 8.250 0.005 0.000 0.485 293 A N 3.210 126.030 122.820 -0.001 0.000 2.483 293 A HA -0.077 nan 4.320 nan 0.000 0.238 293 A C -1.222 176.363 177.584 0.001 0.000 1.070 293 A CA 0.428 52.465 52.037 0.000 0.000 0.770 293 A CB 0.630 19.628 19.000 -0.003 0.000 1.008 293 A HN 0.292 8.441 8.150 -0.002 0.000 0.497 294 L N 1.171 122.396 121.223 0.004 0.000 2.358 294 L HA 0.163 nan 4.340 nan 0.000 0.268 294 L C 0.371 177.239 176.870 -0.003 0.000 1.032 294 L CA -1.755 53.087 54.840 0.004 0.000 0.805 294 L CB 1.676 43.741 42.059 0.010 0.000 1.253 294 L HN -0.212 8.021 8.230 0.007 0.000 0.452 295 E N -0.019 120.177 120.200 -0.007 0.000 2.653 295 E HA -0.251 nan 4.350 nan 0.000 0.264 295 E C -0.532 176.043 176.600 -0.042 0.000 0.949 295 E CA 0.835 57.223 56.400 -0.021 0.000 0.953 295 E CB -0.029 29.660 29.700 -0.018 0.000 0.925 295 E HN 0.047 8.406 8.360 -0.002 0.000 0.475 296 E N 1.859 122.017 120.200 -0.069 0.000 2.355 296 E HA 0.793 nan 4.350 nan 0.000 0.261 296 E C -1.370 175.105 176.600 -0.209 0.000 0.943 296 E CA -1.575 54.749 56.400 -0.127 0.000 0.806 296 E CB 3.463 33.121 29.700 -0.070 0.000 1.286 296 E HN 0.055 8.381 8.360 -0.057 0.000 0.424 297 A N -1.171 121.432 122.820 -0.362 0.000 2.612 297 A HA 0.434 nan 4.320 nan 0.000 0.293 297 A C -3.276 174.178 177.584 -0.216 0.000 1.075 297 A CA -1.859 49.961 52.037 -0.362 0.000 0.680 297 A CB 0.566 19.224 19.000 -0.569 0.000 1.279 297 A HN -0.080 7.829 8.150 -0.401 0.000 0.411 298 P HA -0.122 nan 4.420 nan 0.000 0.269 298 P C -0.558 176.896 177.300 0.257 0.000 1.211 298 P CA -0.128 63.037 63.100 0.108 0.000 0.781 298 P CB 0.509 32.260 31.700 0.086 0.000 0.877 299 W N 2.465 123.833 121.300 0.115 0.000 2.278 299 W HA -0.236 nan 4.660 nan 0.000 0.336 299 W C -1.591 175.019 176.519 0.151 0.000 1.322 299 W CA 0.976 58.405 57.345 0.139 0.000 1.217 299 W CB -1.576 27.925 29.460 0.069 0.000 1.140 299 W HN 0.280 8.692 8.180 0.387 0.000 0.465 300 P HA 0.219 nan 4.420 nan 0.000 0.276 300 P C -3.057 174.069 177.300 -0.291 0.000 1.253 300 P CA -1.054 61.715 63.100 -0.552 0.000 0.766 300 P CB -0.168 31.384 31.700 -0.247 0.000 0.845 301 P HA 0.278 nan 4.420 nan 0.000 0.285 301 P C -1.575 175.404 177.300 -0.535 0.000 1.285 301 P CA -2.399 60.137 63.100 -0.941 0.000 0.854 301 P CB -0.376 30.687 31.700 -1.061 0.000 1.180 302 P HA -0.082 nan 4.420 nan 0.000 0.268 302 P C -0.774 176.398 177.300 -0.214 0.000 1.204 302 P CA -0.357 62.602 63.100 -0.235 0.000 0.768 302 P CB 0.811 32.421 31.700 -0.151 0.000 0.842 303 E N 2.805 122.905 120.200 -0.167 0.000 2.868 303 E HA -0.361 nan 4.350 nan 0.000 0.246 303 E C 0.802 177.312 176.600 -0.150 0.000 0.962 303 E CA 1.625 57.935 56.400 -0.150 0.000 0.955 303 E CB -0.118 29.515 29.700 -0.111 0.000 0.903 303 E HN 0.382 8.654 8.360 -0.147 0.000 0.524 304 G N 1.374 110.063 108.800 -0.185 0.000 2.131 304 G HA2 -0.385 nan 3.960 nan 0.000 0.201 304 G HA3 -0.385 nan 3.960 nan 0.000 0.201 304 G C -1.548 173.220 174.900 -0.220 0.000 1.000 304 G CA -0.350 44.616 45.100 -0.224 0.000 0.680 304 G HN 0.478 8.651 8.290 -0.194 0.000 0.514 305 A N -0.572 122.134 122.820 -0.190 0.000 2.363 305 A HA 0.222 nan 4.320 nan 0.000 0.270 305 A C -0.852 176.673 177.584 -0.099 0.000 1.121 305 A CA -0.593 51.389 52.037 -0.091 0.000 0.800 305 A CB 0.809 19.706 19.000 -0.171 0.000 1.052 305 A HN -0.762 7.262 8.150 -0.210 0.000 0.493 306 F N 2.895 122.799 119.950 -0.077 0.000 2.504 306 F HA 0.044 nan 4.527 nan 0.000 0.369 306 F C -0.075 175.753 175.800 0.047 0.000 1.082 306 F CA 0.266 58.251 58.000 -0.026 0.000 1.216 306 F CB 0.556 39.553 39.000 -0.006 0.000 1.108 306 F HN 0.140 8.699 8.300 0.431 0.000 0.554 307 V N 1.761 121.771 119.914 0.161 0.000 2.863 307 V HA 0.883 nan 4.120 nan 0.000 0.307 307 V C -1.514 174.782 176.094 0.336 0.000 1.061 307 V CA -2.728 59.709 62.300 0.228 0.000 1.024 307 V CB 2.054 33.979 31.823 0.169 0.000 1.049 307 V HN 0.404 8.521 8.190 0.061 0.109 0.471 308 G N 0.498 109.511 108.800 0.356 0.000 2.672 308 G HA2 0.593 nan 3.960 nan 0.000 0.292 308 G HA3 0.593 nan 3.960 nan 0.000 0.292 308 G C -3.238 171.905 174.900 0.405 0.000 1.375 308 G CA -0.978 44.301 45.100 0.299 0.000 0.890 308 G HN 0.376 8.765 8.290 0.323 0.094 0.476 309 F N -4.241 115.719 119.950 0.017 0.000 2.725 309 F HA 0.727 nan 4.527 nan 0.000 0.309 309 F C -2.314 173.450 175.800 -0.060 0.000 1.132 309 F CA -2.542 55.442 58.000 -0.026 0.000 0.957 309 F CB 2.183 41.169 39.000 -0.024 0.000 1.286 309 F HN -0.384 7.671 8.300 -0.409 0.000 0.440 310 V N 0.533 120.444 119.914 -0.005 0.000 2.531 310 V HA 0.555 nan 4.120 nan 0.000 0.301 310 V C -1.699 174.384 176.094 -0.017 0.000 1.034 310 V CA -0.705 61.521 62.300 -0.124 0.000 0.865 310 V CB 2.003 33.694 31.823 -0.220 0.000 0.995 310 V HN 0.210 8.449 8.190 0.080 0.000 0.424 311 L N 2.331 123.552 121.223 -0.004 0.000 2.303 311 L HA 0.666 nan 4.340 nan 0.000 0.266 311 L C -0.057 176.820 176.870 0.012 0.000 1.011 311 L CA -1.264 53.608 54.840 0.053 0.000 0.818 311 L CB 2.386 44.525 42.059 0.133 0.000 1.326 311 L HN 0.127 8.329 8.230 -0.046 0.000 0.435 312 S N -0.168 115.564 115.700 0.054 0.000 2.453 312 S HA -0.176 nan 4.470 nan 0.000 0.231 312 S C -0.281 174.351 174.600 0.053 0.000 1.005 312 S CA 1.848 60.081 58.200 0.055 0.000 0.949 312 S CB 0.597 63.850 63.200 0.089 0.000 0.774 312 S HN 0.314 8.672 8.310 0.080 0.000 0.510 313 R N -3.297 117.245 120.500 0.069 0.000 2.629 313 R HA 0.141 nan 4.340 nan 0.000 0.266 313 R C -1.613 174.734 176.300 0.080 0.000 1.051 313 R CA -1.135 55.002 56.100 0.062 0.000 0.895 313 R CB 1.924 32.259 30.300 0.057 0.000 1.246 313 R HN -0.819 7.474 8.270 0.087 0.029 0.459 314 K N 0.441 120.879 120.400 0.064 0.000 2.089 314 K HA -0.288 nan 4.320 nan 0.000 0.210 314 K C -0.931 175.723 176.600 0.089 0.000 1.048 314 K CA 2.216 58.549 56.287 0.077 0.000 0.926 314 K CB -0.198 32.332 32.500 0.050 0.000 0.714 314 K HN 0.256 8.533 8.250 0.044 0.000 0.448 315 E N -1.484 118.759 120.200 0.072 0.000 2.081 315 E HA 0.051 nan 4.350 nan 0.000 0.270 315 E C -0.825 175.879 176.600 0.172 0.000 1.180 315 E CA -1.532 54.929 56.400 0.101 0.000 0.926 315 E CB -0.958 28.772 29.700 0.049 0.000 1.035 315 E HN -0.259 8.111 8.360 0.045 0.017 0.418 316 P HA -0.200 nan 4.420 nan 0.000 0.215 316 P C 0.944 178.325 177.300 0.134 0.000 1.153 316 P CA 2.614 65.792 63.100 0.131 0.000 0.853 316 P CB 0.086 31.837 31.700 0.084 0.000 0.788 317 M N -3.054 116.637 119.600 0.151 0.000 2.202 317 M HA -0.202 nan 4.480 nan 0.000 0.262 317 M C 1.453 177.849 176.300 0.159 0.000 1.063 317 M CA 3.342 58.672 55.300 0.050 0.000 1.097 317 M CB -0.735 31.817 32.600 -0.079 0.000 1.382 317 M HN 0.046 8.439 8.290 0.172 0.000 0.413 318 W N -4.079 117.269 121.300 0.079 0.000 3.015 318 W HA 0.143 nan 4.660 nan 0.000 0.429 318 W C -1.579 174.962 176.519 0.037 0.000 0.976 318 W CA -1.823 55.540 57.345 0.030 0.000 2.086 318 W CB -1.583 27.858 29.460 -0.032 0.000 1.125 318 W HN -0.585 7.898 8.180 0.555 0.030 0.721 319 A N -0.398 122.564 122.820 0.237 0.000 2.355 319 A HA 0.473 nan 4.320 nan 0.000 0.324 319 A C -2.594 175.101 177.584 0.185 0.000 1.117 319 A CA -1.556 50.591 52.037 0.184 0.000 0.785 319 A CB 2.749 21.843 19.000 0.157 0.000 1.254 319 A HN -0.052 8.070 8.150 0.207 0.153 0.453 320 D N 0.519 121.026 120.400 0.179 0.000 2.280 320 D HA 0.132 nan 4.640 nan 0.000 0.243 320 D C -1.185 175.208 176.300 0.155 0.000 1.129 320 D CA -1.580 52.567 54.000 0.244 0.000 0.848 320 D CB 1.719 42.630 40.800 0.186 0.000 1.107 320 D HN 0.514 8.974 8.370 0.150 0.000 0.471 321 L N 6.490 127.731 121.223 0.031 0.000 2.342 321 L HA 0.384 nan 4.340 nan 0.000 0.285 321 L C -1.275 175.525 176.870 -0.117 0.000 1.095 321 L CA -0.241 54.467 54.840 -0.221 0.000 0.843 321 L CB 0.065 41.712 42.059 -0.687 0.000 1.201 321 L HN -0.028 8.329 8.230 0.213 0.000 0.445 322 L N 4.226 125.447 121.223 -0.004 0.000 2.294 322 L HA 0.390 nan 4.340 nan 0.000 0.283 322 L C -1.508 175.371 176.870 0.015 0.000 1.015 322 L CA -1.283 53.578 54.840 0.034 0.000 0.831 322 L CB -0.154 41.960 42.059 0.091 0.000 1.217 322 L HN 0.646 8.882 8.230 0.010 0.000 0.420 323 A N 1.685 124.495 122.820 -0.016 0.000 2.432 323 A HA -0.311 nan 4.320 nan 0.000 0.685 323 A C -1.876 175.700 177.584 -0.014 0.000 0.141 323 A CA 0.348 52.373 52.037 -0.019 0.000 0.039 323 A CB -0.185 18.829 19.000 0.024 0.000 3.967 323 A HN 0.263 8.393 8.150 -0.033 0.000 0.547 324 L N 2.844 124.025 121.223 -0.070 0.000 2.386 324 L HA 0.974 nan 4.340 nan 0.000 0.271 324 L C -2.384 174.487 176.870 0.002 0.000 0.993 324 L CA -1.305 53.512 54.840 -0.039 0.000 0.819 324 L CB 3.939 45.877 42.059 -0.203 0.000 1.294 324 L HN 0.270 8.422 8.230 -0.130 0.000 0.414 325 A N 3.890 126.826 122.820 0.193 0.000 2.602 325 A HA 0.938 nan 4.320 nan 0.000 0.290 325 A C -2.909 174.916 177.584 0.402 0.000 1.114 325 A CA -0.890 51.347 52.037 0.333 0.000 0.683 325 A CB 4.069 23.196 19.000 0.211 0.000 1.281 325 A HN 0.808 9.092 8.150 0.224 0.000 0.416 326 A N -2.667 120.381 122.820 0.380 0.000 2.491 326 A HA 0.770 nan 4.320 nan 0.000 0.293 326 A C -2.817 174.869 177.584 0.170 0.000 1.047 326 A CA -0.177 51.984 52.037 0.206 0.000 0.735 326 A CB 2.851 21.873 19.000 0.036 0.000 1.281 326 A HN 0.668 9.087 8.150 0.448 0.000 0.398 327 A N 3.480 126.402 122.820 0.170 0.000 2.337 327 A HA 0.999 nan 4.320 nan 0.000 0.329 327 A C -2.625 175.039 177.584 0.132 0.000 1.146 327 A CA -1.789 50.347 52.037 0.165 0.000 0.800 327 A CB 2.939 22.023 19.000 0.140 0.000 1.220 327 A HN 1.120 9.283 8.150 0.193 0.103 0.472 328 R N 3.405 123.968 120.500 0.105 0.000 2.508 328 R HA 0.422 nan 4.340 nan 0.000 0.283 328 R C 0.258 176.599 176.300 0.068 0.000 1.120 328 R CA -1.163 54.979 56.100 0.071 0.000 0.958 328 R CB 2.800 33.097 30.300 -0.004 0.000 1.215 328 R HN 0.193 8.550 8.270 0.145 0.000 0.427 329 G N 7.119 115.947 108.800 0.048 0.000 2.347 329 G HA2 -0.383 nan 3.960 nan 0.000 0.247 329 G HA3 -0.383 nan 3.960 nan 0.000 0.247 329 G C -0.837 174.084 174.900 0.035 0.000 1.037 329 G CA 1.149 46.272 45.100 0.038 0.000 0.622 329 G HN 0.226 8.667 8.290 0.043 -0.126 0.521 330 G N -1.735 107.094 108.800 0.049 0.000 2.480 330 G HA2 -0.299 nan 3.960 nan 0.000 0.193 330 G HA3 -0.299 nan 3.960 nan 0.000 0.193 330 G C -0.497 174.436 174.900 0.054 0.000 1.004 330 G CA -0.489 44.636 45.100 0.041 0.000 0.696 330 G HN -0.025 8.260 8.290 0.069 0.046 0.478 331 R N 1.324 121.866 120.500 0.070 0.000 2.442 331 R HA 0.031 nan 4.340 nan 0.000 0.291 331 R C -1.503 174.870 176.300 0.122 0.000 1.069 331 R CA 0.546 56.677 56.100 0.051 0.000 1.022 331 R CB 0.579 30.906 30.300 0.045 0.000 0.976 331 R HN -0.646 7.614 8.270 0.078 0.057 0.443 332 V N 4.265 124.219 119.914 0.067 0.000 2.532 332 V HA 0.552 nan 4.120 nan 0.000 0.295 332 V C -1.958 174.208 176.094 0.119 0.000 1.041 332 V CA -2.445 59.951 62.300 0.159 0.000 0.926 332 V CB 3.000 34.886 31.823 0.104 0.000 0.992 332 V HN 0.183 8.375 8.190 0.003 0.000 0.457 333 H N 7.242 126.382 119.070 0.116 0.000 2.495 333 H HA 0.678 nan 4.556 nan 0.000 0.348 333 H C -1.494 174.059 175.328 0.376 0.000 1.113 333 H CA -1.886 54.277 56.048 0.191 0.000 1.195 333 H CB 2.898 32.693 29.762 0.056 0.000 1.521 333 H HN 1.003 9.461 8.280 0.489 0.116 0.509 334 R N 3.409 124.176 120.500 0.445 0.000 2.514 334 R HA 0.525 nan 4.340 nan 0.000 0.301 334 R C -1.874 174.552 176.300 0.210 0.000 0.962 334 R CA -1.326 54.945 56.100 0.285 0.000 0.882 334 R CB 2.209 32.581 30.300 0.120 0.000 1.143 334 R HN 0.219 8.702 8.270 0.356 0.000 0.452 335 A N 4.078 126.722 122.820 -0.293 0.000 2.276 335 A HA 0.445 nan 4.320 nan 0.000 0.300 335 A C -0.584 176.776 177.584 -0.374 0.000 1.235 335 A CA -3.115 48.421 52.037 -0.835 0.000 0.867 335 A CB 0.291 18.408 19.000 -1.471 0.000 1.137 335 A HN 0.181 8.169 8.150 -0.271 0.000 0.527 336 P HA -0.097 nan 4.420 nan 0.000 0.217 336 P C -0.844 176.375 177.300 -0.134 0.000 1.150 336 P CA 1.156 64.183 63.100 -0.120 0.000 0.832 336 P CB 0.360 32.024 31.700 -0.060 0.000 0.787 337 E N -1.010 119.071 120.200 -0.198 0.000 2.255 337 E HA 0.423 nan 4.350 nan 0.000 0.245 337 E C -1.720 174.761 176.600 -0.199 0.000 0.909 337 E CA -3.906 52.412 56.400 -0.137 0.000 0.747 337 E CB 0.533 30.184 29.700 -0.080 0.000 1.215 337 E HN -0.291 7.883 8.360 -0.288 0.013 0.424 338 P HA -0.278 nan 4.420 nan 0.000 0.211 338 P C 0.744 177.921 177.300 -0.205 0.000 1.181 338 P CA 2.553 65.515 63.100 -0.230 0.000 0.929 338 P CB 0.137 31.727 31.700 -0.184 0.000 0.789 339 Y N -4.825 115.416 120.300 -0.099 0.000 2.446 339 Y HA -0.385 nan 4.550 nan 0.000 0.287 339 Y C 1.739 177.594 175.900 -0.075 0.000 1.159 339 Y CA 3.057 61.111 58.100 -0.076 0.000 1.297 339 Y CB -0.479 37.948 38.460 -0.055 0.000 0.974 339 Y HN -0.365 8.068 8.280 0.101 -0.092 0.557 340 K N -0.806 119.612 120.400 0.029 0.000 2.262 340 K HA -0.026 nan 4.320 nan 0.000 0.200 340 K C 1.953 178.537 176.600 -0.027 0.000 1.058 340 K CA 0.678 56.970 56.287 0.008 0.000 0.974 340 K CB -0.290 32.209 32.500 -0.001 0.000 0.910 340 K HN -0.382 7.845 8.250 -0.028 0.006 0.484 341 A N 1.312 124.047 122.820 -0.142 0.000 1.997 341 A HA -0.261 nan 4.320 nan 0.000 0.221 341 A C 2.332 179.949 177.584 0.055 0.000 1.172 341 A CA 2.982 54.912 52.037 -0.179 0.000 0.645 341 A CB -1.119 17.401 19.000 -0.800 0.000 0.813 341 A HN 0.292 8.316 8.150 -0.209 0.000 0.454 342 L N -3.284 117.925 121.223 -0.025 0.000 2.263 342 L HA -0.412 nan 4.340 nan 0.000 0.216 342 L C 2.771 179.666 176.870 0.041 0.000 1.111 342 L CA 2.548 57.388 54.840 0.001 0.000 0.773 342 L CB -0.582 41.437 42.059 -0.067 0.000 0.906 342 L HN -0.500 7.658 8.230 -0.102 0.010 0.439 343 R N -2.003 118.532 120.500 0.058 0.000 2.275 343 R HA -0.168 nan 4.340 nan 0.000 0.199 343 R C 0.883 177.233 176.300 0.083 0.000 0.989 343 R CA 2.156 58.289 56.100 0.055 0.000 1.016 343 R CB -0.127 30.201 30.300 0.047 0.000 0.918 343 R HN 0.254 8.403 8.270 0.055 0.154 0.473 344 D N -2.064 118.433 120.400 0.161 0.000 2.349 344 D HA -0.010 nan 4.640 nan 0.000 0.215 344 D C -0.487 175.861 176.300 0.079 0.000 1.016 344 D CA 1.353 55.458 54.000 0.175 0.000 0.870 344 D CB 0.779 41.836 40.800 0.427 0.000 0.917 344 D HN 0.101 8.401 8.370 0.206 0.193 0.524 345 L N -1.781 119.488 121.223 0.076 0.000 2.322 345 L HA 0.218 nan 4.340 nan 0.000 0.279 345 L C 0.375 177.230 176.870 -0.025 0.000 1.036 345 L CA -0.638 54.206 54.840 0.007 0.000 0.807 345 L CB 1.307 43.383 42.059 0.030 0.000 1.226 345 L HN -0.807 7.421 8.230 0.101 0.063 0.433 346 K N 2.068 122.434 120.400 -0.056 0.000 2.166 346 K HA -0.202 nan 4.320 nan 0.000 0.201 346 K C -1.101 175.460 176.600 -0.065 0.000 1.052 346 K CA 0.628 56.881 56.287 -0.056 0.000 0.969 346 K CB 0.750 33.209 32.500 -0.069 0.000 0.761 346 K HN 0.447 8.651 8.250 -0.077 0.000 0.459 347 E N -4.966 115.181 120.200 -0.088 0.000 2.433 347 E HA 0.150 nan 4.350 nan 0.000 0.278 347 E C -1.828 174.704 176.600 -0.114 0.000 0.976 347 E CA -1.853 54.487 56.400 -0.100 0.000 0.793 347 E CB 3.447 33.076 29.700 -0.118 0.000 1.311 347 E HN -0.927 7.375 8.360 -0.097 0.000 0.460 348 A N 0.887 123.639 122.820 -0.114 0.000 2.294 348 A HA 0.298 nan 4.320 nan 0.000 0.316 348 A C -1.802 175.705 177.584 -0.129 0.000 1.359 348 A CA -0.862 51.108 52.037 -0.113 0.000 0.956 348 A CB 0.818 19.739 19.000 -0.132 0.000 1.155 348 A HN 0.974 8.948 8.150 -0.107 0.111 0.544 349 R N 6.424 126.811 120.500 -0.188 0.000 2.371 349 R HA 0.723 nan 4.340 nan 0.000 0.312 349 R C -1.053 175.059 176.300 -0.314 0.000 0.980 349 R CA -1.473 54.424 56.100 -0.338 0.000 0.867 349 R CB 1.281 31.227 30.300 -0.589 0.000 1.163 349 R HN 0.540 8.704 8.270 -0.176 0.000 0.492 350 G N 4.915 113.694 108.800 -0.034 0.000 2.352 350 G HA2 -0.047 nan 3.960 nan 0.000 0.283 350 G HA3 -0.047 nan 3.960 nan 0.000 0.283 350 G C -3.275 171.809 174.900 0.307 0.000 1.308 350 G CA 0.249 45.514 45.100 0.274 0.000 0.892 350 G HN 0.653 8.931 8.290 -0.019 0.000 0.504 351 L N 1.941 123.371 121.223 0.345 0.000 2.654 351 L HA -0.209 nan 4.340 nan 0.000 0.271 351 L C 0.053 177.103 176.870 0.301 0.000 1.169 351 L CA 1.142 56.138 54.840 0.261 0.000 0.947 351 L CB -0.747 41.475 42.059 0.272 0.000 1.232 351 L HN -0.146 8.322 8.230 0.397 0.000 0.486 352 L N 2.520 123.881 121.223 0.230 0.000 4.192 352 L HA -0.389 nan 4.340 nan 0.000 0.403 352 L C 0.785 177.867 176.870 0.353 0.000 1.163 352 L CA 0.662 55.684 54.840 0.303 0.000 0.937 352 L CB -2.454 39.833 42.059 0.379 0.000 2.134 352 L HN -0.032 8.599 8.230 0.158 -0.306 0.754 353 A N 0.114 123.065 122.820 0.219 0.000 1.881 353 A HA -0.542 nan 4.320 nan 0.000 0.219 353 A C 1.240 178.821 177.584 -0.006 0.000 1.215 353 A CA 3.700 55.782 52.037 0.075 0.000 0.648 353 A CB -0.461 18.559 19.000 0.033 0.000 0.832 353 A HN -0.127 8.153 8.150 0.217 0.000 0.455 354 K N -2.143 118.269 120.400 0.019 0.000 2.107 354 K HA -0.392 nan 4.320 nan 0.000 0.211 354 K C 1.963 178.553 176.600 -0.016 0.000 1.049 354 K CA 3.264 59.547 56.287 -0.007 0.000 0.927 354 K CB -0.534 31.975 32.500 0.015 0.000 0.714 354 K HN 0.187 8.465 8.250 0.047 0.000 0.452 355 D N -1.317 119.107 120.400 0.040 0.000 2.144 355 D HA -0.201 nan 4.640 nan 0.000 0.200 355 D C 2.560 178.800 176.300 -0.101 0.000 0.978 355 D CA 3.010 57.040 54.000 0.050 0.000 0.833 355 D CB -0.364 40.562 40.800 0.209 0.000 0.961 355 D HN -0.384 7.940 8.370 0.099 0.106 0.470 356 L N -0.494 120.527 121.223 -0.337 0.000 2.072 356 L HA -0.183 nan 4.340 nan 0.000 0.205 356 L C 1.087 177.760 176.870 -0.329 0.000 1.079 356 L CA 2.708 57.168 54.840 -0.633 0.000 0.752 356 L CB 0.029 41.463 42.059 -1.041 0.000 0.906 356 L HN -0.712 7.300 8.230 -0.230 0.080 0.436 357 S N 0.936 116.500 115.700 -0.227 0.000 2.356 357 S HA -0.433 nan 4.470 nan 0.000 0.223 357 S C 2.133 176.637 174.600 -0.159 0.000 1.032 357 S CA 3.708 61.805 58.200 -0.172 0.000 1.005 357 S CB -0.244 62.872 63.200 -0.140 0.000 0.867 357 S HN 0.011 8.193 8.310 -0.214 0.000 0.449 358 V N 2.999 122.835 119.914 -0.130 0.000 2.324 358 V HA -0.410 nan 4.120 nan 0.000 0.250 358 V C 1.814 177.839 176.094 -0.116 0.000 1.060 358 V CA 4.134 66.368 62.300 -0.110 0.000 1.042 358 V CB -1.207 30.584 31.823 -0.054 0.000 0.650 358 V HN 0.036 8.159 8.190 -0.112 0.000 0.450 359 L N -1.092 120.065 121.223 -0.111 0.000 2.027 359 L HA -0.412 nan 4.340 nan 0.000 0.206 359 L C 1.680 178.496 176.870 -0.091 0.000 1.074 359 L CA 3.123 57.907 54.840 -0.092 0.000 0.745 359 L CB -0.275 41.722 42.059 -0.102 0.000 0.898 359 L HN -0.742 7.418 8.230 -0.117 0.000 0.433 360 A N -1.264 121.480 122.820 -0.126 0.000 1.933 360 A HA -0.350 nan 4.320 nan 0.000 0.218 360 A C 2.021 179.557 177.584 -0.081 0.000 1.175 360 A CA 3.015 54.993 52.037 -0.098 0.000 0.628 360 A CB -0.742 18.188 19.000 -0.117 0.000 0.814 360 A HN 0.140 8.191 8.150 -0.165 0.000 0.444 361 L N -2.241 118.915 121.223 -0.112 0.000 2.017 361 L HA -0.423 nan 4.340 nan 0.000 0.208 361 L C 2.596 179.407 176.870 -0.097 0.000 1.073 361 L CA 2.926 57.695 54.840 -0.117 0.000 0.745 361 L CB -0.261 41.695 42.059 -0.172 0.000 0.894 361 L HN 0.583 8.622 8.230 -0.132 0.112 0.432 362 R N -3.146 117.285 120.500 -0.115 0.000 2.328 362 R HA -0.263 nan 4.340 nan 0.000 0.207 362 R C 0.940 177.191 176.300 -0.081 0.000 1.056 362 R CA 2.202 58.220 56.100 -0.136 0.000 1.016 362 R CB -0.717 29.455 30.300 -0.214 0.000 0.872 362 R HN -0.247 7.949 8.270 -0.124 0.000 0.471 363 E N -2.788 117.392 120.200 -0.034 0.000 2.465 363 E HA 0.062 nan 4.350 nan 0.000 0.195 363 E C 0.198 176.793 176.600 -0.009 0.000 1.028 363 E CA -1.263 55.142 56.400 0.009 0.000 0.899 363 E CB -0.151 29.603 29.700 0.089 0.000 1.032 363 E HN -0.795 7.337 8.360 -0.041 0.203 0.468 364 G N -0.641 108.142 108.800 -0.029 0.000 2.179 364 G HA2 -0.409 nan 3.960 nan 0.000 0.257 364 G HA3 -0.409 nan 3.960 nan 0.000 0.257 364 G C -1.076 173.816 174.900 -0.014 0.000 1.010 364 G CA 0.860 45.947 45.100 -0.022 0.000 0.736 364 G HN -0.069 8.027 8.290 -0.045 0.167 0.513 365 L N -0.411 120.800 121.223 -0.020 0.000 2.356 365 L HA 0.325 nan 4.340 nan 0.000 0.277 365 L C -1.244 175.606 176.870 -0.034 0.000 0.996 365 L CA -0.823 54.005 54.840 -0.019 0.000 0.822 365 L CB 1.899 43.948 42.059 -0.016 0.000 1.256 365 L HN -0.201 7.990 8.230 -0.030 0.021 0.413 366 G N 5.343 114.131 108.800 -0.020 0.000 2.807 366 G HA2 0.032 nan 3.960 nan 0.000 0.316 366 G HA3 0.032 nan 3.960 nan 0.000 0.316 366 G C -1.339 173.543 174.900 -0.029 0.000 0.900 366 G CA -0.319 44.767 45.100 -0.023 0.000 1.499 366 G HN 0.325 8.610 8.290 -0.008 0.000 0.484 367 L N 5.120 126.307 121.223 -0.060 0.000 2.255 367 L HA 0.334 nan 4.340 nan 0.000 0.289 367 L C -2.386 174.443 176.870 -0.069 0.000 1.046 367 L CA -3.970 50.832 54.840 -0.063 0.000 0.816 367 L CB 1.379 43.388 42.059 -0.083 0.000 1.197 367 L HN -0.622 7.559 8.230 -0.081 0.000 0.427 368 P HA 0.306 nan 4.420 nan 0.000 0.271 368 P C -2.330 174.931 177.300 -0.065 0.000 1.220 368 P CA -1.696 61.382 63.100 -0.037 0.000 0.768 368 P CB -0.251 31.438 31.700 -0.019 0.000 0.848 369 P HA 0.204 nan 4.420 nan 0.000 0.287 369 P C -1.059 176.198 177.300 -0.073 0.000 1.294 369 P CA -0.856 62.203 63.100 -0.068 0.000 0.776 369 P CB 0.862 32.529 31.700 -0.054 0.000 0.889 370 G N 3.464 112.206 108.800 -0.097 0.000 3.075 370 G HA2 0.206 nan 3.960 nan 0.000 0.156 370 G HA3 0.206 nan 3.960 nan 0.000 0.156 370 G C -0.967 173.885 174.900 -0.080 0.000 1.403 370 G CA -1.424 43.606 45.100 -0.118 0.000 1.033 370 G HN 0.672 8.786 8.290 -0.106 0.113 0.589 371 D N -0.097 120.239 120.400 -0.106 0.000 2.390 371 D HA -0.142 nan 4.640 nan 0.000 0.236 371 D C -1.378 175.018 176.300 0.160 0.000 1.189 371 D CA 2.034 56.091 54.000 0.095 0.000 0.887 371 D CB 0.685 41.454 40.800 -0.051 0.000 1.198 371 D HN -0.496 7.749 8.370 -0.210 0.000 0.444 372 D N -0.923 119.722 120.400 0.408 0.000 2.804 372 D HA 0.337 nan 4.640 nan 0.000 0.209 372 D C -1.914 174.621 176.300 0.392 0.000 1.314 372 D CA -2.090 52.117 54.000 0.346 0.000 0.894 372 D CB 2.600 43.536 40.800 0.227 0.000 1.615 372 D HN -0.493 8.246 8.370 0.615 0.000 0.571 373 P HA -0.160 nan 4.420 nan 0.000 0.218 373 P C 0.729 178.081 177.300 0.087 0.000 1.148 373 P CA 2.039 65.253 63.100 0.190 0.000 0.822 373 P CB 0.497 32.301 31.700 0.172 0.000 0.784 374 M N -2.390 117.275 119.600 0.107 0.000 2.202 374 M HA -0.298 nan 4.480 nan 0.000 0.262 374 M C 1.666 178.030 176.300 0.107 0.000 1.063 374 M CA 2.852 58.188 55.300 0.061 0.000 1.097 374 M CB -0.333 32.278 32.600 0.017 0.000 1.382 374 M HN 0.148 8.813 8.290 0.142 -0.290 0.413 375 L N -2.208 119.120 121.223 0.174 0.000 2.068 375 L HA -0.311 nan 4.340 nan 0.000 0.204 375 L C 1.704 178.693 176.870 0.198 0.000 1.076 375 L CA 2.739 57.739 54.840 0.266 0.000 0.753 375 L CB -0.483 41.842 42.059 0.443 0.000 0.910 375 L HN -0.522 7.687 8.230 0.203 0.143 0.439 376 L N -1.563 119.664 121.223 0.006 0.000 2.012 376 L HA -0.494 nan 4.340 nan 0.000 0.210 376 L C 2.070 178.887 176.870 -0.089 0.000 1.073 376 L CA 3.300 58.028 54.840 -0.186 0.000 0.748 376 L CB -0.959 40.895 42.059 -0.341 0.000 0.891 376 L HN -0.819 7.442 8.230 0.050 0.000 0.431 377 A N -1.453 121.329 122.820 -0.063 0.000 1.883 377 A HA -0.350 nan 4.320 nan 0.000 0.217 377 A C 1.654 179.302 177.584 0.107 0.000 1.186 377 A CA 3.087 55.097 52.037 -0.044 0.000 0.624 377 A CB -1.024 17.959 19.000 -0.028 0.000 0.822 377 A HN 0.283 8.398 8.150 -0.059 0.000 0.444 378 Y N -0.410 119.900 120.300 0.016 0.000 2.097 378 Y HA -0.389 nan 4.550 nan 0.000 0.282 378 Y C 1.660 177.594 175.900 0.057 0.000 1.152 378 Y CA 2.744 60.873 58.100 0.048 0.000 1.136 378 Y CB -0.092 38.404 38.460 0.059 0.000 0.975 378 Y HN -0.699 7.739 8.280 0.264 0.000 0.498 379 L N -3.031 118.217 121.223 0.040 0.000 1.989 379 L HA -0.400 nan 4.340 nan 0.000 0.211 379 L C 2.001 178.840 176.870 -0.051 0.000 1.071 379 L CA 2.761 57.572 54.840 -0.048 0.000 0.749 379 L CB -0.109 41.964 42.059 0.023 0.000 0.890 379 L HN -0.381 7.953 8.230 0.175 0.000 0.431 380 L N -4.828 116.380 121.223 -0.025 0.000 2.051 380 L HA -0.390 nan 4.340 nan 0.000 0.214 380 L C 0.005 176.924 176.870 0.081 0.000 1.076 380 L CA 2.656 57.498 54.840 0.004 0.000 0.758 380 L CB 0.342 42.391 42.059 -0.018 0.000 0.890 380 L HN -0.576 7.635 8.230 -0.032 0.000 0.433 381 D N -5.456 114.977 120.400 0.055 0.000 2.484 381 D HA 0.206 nan 4.640 nan 0.000 0.206 381 D C -2.523 173.794 176.300 0.029 0.000 1.322 381 D CA -1.646 52.407 54.000 0.088 0.000 0.913 381 D CB 1.848 42.603 40.800 -0.076 0.000 1.559 381 D HN -0.685 7.706 8.370 0.035 0.000 0.565 382 P HA -0.069 nan 4.420 nan 0.000 0.231 382 P C -0.379 177.001 177.300 0.133 0.000 1.154 382 P CA 0.811 63.867 63.100 -0.073 0.000 0.762 382 P CB 0.224 31.848 31.700 -0.126 0.000 0.790 383 S N -3.449 112.310 115.700 0.098 0.000 2.763 383 S HA -0.005 nan 4.470 nan 0.000 0.237 383 S C -1.485 173.174 174.600 0.097 0.000 0.966 383 S CA 0.290 58.541 58.200 0.084 0.000 1.017 383 S CB -0.434 62.785 63.200 0.032 0.000 0.780 383 S HN 0.018 8.609 8.310 0.070 -0.239 0.476 384 N N 0.245 119.046 118.700 0.168 0.000 2.617 384 N HA 0.223 nan 4.740 nan 0.000 0.263 384 N C -0.520 175.112 175.510 0.202 0.000 1.074 384 N CA -0.347 52.808 53.050 0.175 0.000 0.841 384 N CB 1.765 40.381 38.487 0.214 0.000 1.221 384 N HN -0.724 7.658 8.380 0.231 0.137 0.529 385 T N -2.968 111.643 114.554 0.096 0.000 3.098 385 T HA 0.180 nan 4.350 nan 0.000 0.246 385 T C -0.084 174.582 174.700 -0.056 0.000 0.983 385 T CA 0.920 63.033 62.100 0.022 0.000 1.094 385 T CB 1.047 69.934 68.868 0.032 0.000 1.035 385 T HN 0.212 8.492 8.240 0.066 0.000 0.456 386 T N -0.962 113.552 114.554 -0.065 0.000 2.907 386 T HA 0.547 nan 4.350 nan 0.000 0.284 386 T C -1.135 173.425 174.700 -0.233 0.000 1.004 386 T CA -3.060 58.953 62.100 -0.146 0.000 1.063 386 T CB 0.625 69.421 68.868 -0.119 0.000 0.992 386 T HN -0.406 7.815 8.240 -0.032 0.000 0.483 387 P HA 0.003 nan 4.420 nan 0.000 0.225 387 P C 1.307 178.235 177.300 -0.621 0.000 1.148 387 P CA 2.099 64.775 63.100 -0.707 0.000 0.779 387 P CB 0.200 31.059 31.700 -1.401 0.000 0.780 388 E N -1.421 118.498 120.200 -0.468 0.000 2.076 388 E HA -0.141 nan 4.350 nan 0.000 0.190 388 E C 2.034 178.619 176.600 -0.025 0.000 0.979 388 E CA 3.516 59.844 56.400 -0.121 0.000 0.807 388 E CB -0.808 28.886 29.700 -0.009 0.000 0.761 388 E HN 0.425 8.478 8.360 -0.435 0.046 0.454 389 G N -0.221 108.547 108.800 -0.053 0.000 2.484 389 G HA2 -0.261 nan 3.960 nan 0.000 0.215 389 G HA3 -0.261 nan 3.960 nan 0.000 0.215 389 G C 0.795 175.709 174.900 0.023 0.000 1.219 389 G CA 1.848 46.941 45.100 -0.011 0.000 0.791 389 G HN -0.659 7.576 8.290 -0.091 0.000 0.550 390 V N 1.203 121.150 119.914 0.055 0.000 2.287 390 V HA -0.367 nan 4.120 nan 0.000 0.248 390 V C 1.416 177.655 176.094 0.242 0.000 1.053 390 V CA 3.160 65.582 62.300 0.202 0.000 1.027 390 V CB -0.814 31.128 31.823 0.200 0.000 0.646 390 V HN -0.233 7.958 8.190 0.002 0.000 0.447 391 A N 0.112 123.013 122.820 0.135 0.000 1.873 391 A HA -0.418 nan 4.320 nan 0.000 0.218 391 A C 2.012 179.677 177.584 0.135 0.000 1.193 391 A CA 3.357 55.490 52.037 0.160 0.000 0.629 391 A CB -0.759 18.352 19.000 0.186 0.000 0.826 391 A HN -0.553 7.632 8.150 0.059 0.000 0.447 392 R N -2.716 117.838 120.500 0.090 0.000 2.083 392 R HA -0.380 nan 4.340 nan 0.000 0.237 392 R C 2.781 179.077 176.300 -0.006 0.000 1.137 392 R CA 2.991 59.119 56.100 0.048 0.000 0.951 392 R CB -0.137 30.182 30.300 0.032 0.000 0.851 392 R HN -0.461 7.860 8.270 0.085 0.000 0.434 393 R N -0.305 120.158 120.500 -0.062 0.000 2.083 393 R HA -0.271 nan 4.340 nan 0.000 0.237 393 R C 2.339 178.425 176.300 -0.356 0.000 1.137 393 R CA 2.803 58.744 56.100 -0.266 0.000 0.951 393 R CB 0.234 30.264 30.300 -0.450 0.000 0.851 393 R HN -0.113 8.143 8.270 -0.022 0.000 0.434 394 Y N -1.068 119.232 120.300 -0.001 0.000 2.928 394 Y HA -0.008 nan 4.550 nan 0.000 0.390 394 Y C -1.148 174.757 175.900 0.007 0.000 1.101 394 Y CA -0.980 57.118 58.100 -0.002 0.000 1.777 394 Y CB -1.401 37.056 38.460 -0.005 0.000 1.720 394 Y HN -0.287 8.074 8.280 0.134 0.000 0.484 395 G N 1.006 109.857 108.800 0.086 0.000 2.363 395 G HA2 -0.383 nan 3.960 nan 0.000 0.286 395 G HA3 -0.383 nan 3.960 nan 0.000 0.286 395 G C -0.979 173.968 174.900 0.079 0.000 0.975 395 G CA 0.531 45.672 45.100 0.068 0.000 1.309 395 G HN -0.524 7.704 8.290 0.024 0.076 0.491 396 G N -0.592 108.257 108.800 0.082 0.000 2.490 396 G HA2 0.171 nan 3.960 nan 0.000 0.308 396 G HA3 0.171 nan 3.960 nan 0.000 0.308 396 G C -3.236 171.723 174.900 0.099 0.000 1.286 396 G CA -0.299 44.855 45.100 0.091 0.000 0.825 396 G HN -0.676 7.658 8.290 0.074 0.000 0.479 397 E N -1.459 118.813 120.200 0.121 0.000 2.354 397 E HA 0.235 nan 4.350 nan 0.000 0.283 397 E C -1.211 175.515 176.600 0.209 0.000 0.938 397 E CA -0.919 55.566 56.400 0.142 0.000 0.777 397 E CB 3.355 33.108 29.700 0.088 0.000 1.222 397 E HN 0.028 8.461 8.360 0.122 0.000 0.423 398 W N 6.929 128.237 121.300 0.012 0.000 2.072 398 W HA 0.082 nan 4.660 nan 0.000 0.413 398 W C -0.720 175.795 176.519 -0.007 0.000 0.865 398 W CA -0.732 56.613 57.345 -0.001 0.000 1.579 398 W CB -0.818 28.641 29.460 -0.003 0.000 1.720 398 W HN 0.334 8.713 8.180 0.331 0.000 0.301 399 T N 0.381 114.771 114.554 -0.273 0.000 2.753 399 T HA 0.074 nan 4.350 nan 0.000 0.309 399 T C 0.129 174.503 174.700 -0.543 0.000 1.043 399 T CA -0.646 61.275 62.100 -0.298 0.000 0.964 399 T CB 1.861 70.631 68.868 -0.164 0.000 1.206 399 T HN -0.735 7.400 8.240 -0.175 0.000 0.528 400 E N -1.394 118.613 120.200 -0.321 0.000 2.548 400 E HA 0.217 nan 4.350 nan 0.000 0.206 400 E C -1.408 175.074 176.600 -0.198 0.000 1.005 400 E CA -0.912 55.297 56.400 -0.318 0.000 0.951 400 E CB 0.236 29.841 29.700 -0.159 0.000 1.035 400 E HN 0.317 8.565 8.360 -0.186 0.000 0.470 401 E N 0.381 120.478 120.200 -0.172 0.000 2.134 401 E HA 0.196 nan 4.350 nan 0.000 0.278 401 E C -0.254 176.278 176.600 -0.114 0.000 0.959 401 E CA -1.911 54.441 56.400 -0.079 0.000 0.783 401 E CB 1.512 31.187 29.700 -0.041 0.000 1.095 401 E HN -0.969 7.204 8.360 -0.218 0.056 0.399 402 A N 8.270 131.048 122.820 -0.070 0.000 1.915 402 A HA -0.323 nan 4.320 nan 0.000 0.220 402 A C 1.514 179.105 177.584 0.012 0.000 1.198 402 A CA 3.582 55.598 52.037 -0.035 0.000 0.647 402 A CB -0.286 18.730 19.000 0.027 0.000 0.825 402 A HN 0.898 9.025 8.150 -0.037 0.000 0.456 403 G N -2.617 106.202 108.800 0.031 0.000 2.511 403 G HA2 -0.388 nan 3.960 nan 0.000 0.216 403 G HA3 -0.388 nan 3.960 nan 0.000 0.216 403 G C 1.253 176.172 174.900 0.032 0.000 1.218 403 G CA 1.874 47.009 45.100 0.059 0.000 0.788 403 G HN -0.348 8.317 8.290 0.025 -0.361 0.560 404 E N 2.327 122.524 120.200 -0.005 0.000 2.086 404 E HA -0.501 nan 4.350 nan 0.000 0.200 404 E C 2.662 179.250 176.600 -0.021 0.000 1.012 404 E CA 3.275 59.664 56.400 -0.018 0.000 0.812 404 E CB -0.196 29.475 29.700 -0.047 0.000 0.743 404 E HN -0.568 8.070 8.360 -0.011 -0.285 0.453 405 R N -1.361 119.091 120.500 -0.079 0.000 2.073 405 R HA -0.319 nan 4.340 nan 0.000 0.234 405 R C 2.332 178.675 176.300 0.071 0.000 1.134 405 R CA 3.329 59.383 56.100 -0.077 0.000 0.952 405 R CB -0.263 29.860 30.300 -0.296 0.000 0.850 405 R HN 0.199 8.398 8.270 -0.120 -0.001 0.433 406 A N -1.385 121.491 122.820 0.093 0.000 1.940 406 A HA -0.239 nan 4.320 nan 0.000 0.219 406 A C 1.841 179.510 177.584 0.142 0.000 1.176 406 A CA 2.980 55.119 52.037 0.171 0.000 0.631 406 A CB -0.937 18.176 19.000 0.188 0.000 0.814 406 A HN 0.064 8.252 8.150 0.063 0.000 0.446 407 A N -1.029 121.846 122.820 0.091 0.000 1.855 407 A HA -0.249 nan 4.320 nan 0.000 0.215 407 A C 1.564 179.168 177.584 0.032 0.000 1.191 407 A CA 2.858 54.928 52.037 0.054 0.000 0.613 407 A CB -0.703 18.324 19.000 0.044 0.000 0.829 407 A HN -0.168 8.025 8.150 0.083 0.007 0.442 408 L N -1.532 119.727 121.223 0.060 0.000 1.997 408 L HA -0.484 nan 4.340 nan 0.000 0.216 408 L C 1.652 178.563 176.870 0.069 0.000 1.074 408 L CA 2.838 57.725 54.840 0.079 0.000 0.763 408 L CB -0.663 41.479 42.059 0.138 0.000 0.890 408 L HN -0.210 8.057 8.230 0.062 0.000 0.434 409 S N -1.504 114.267 115.700 0.119 0.000 2.369 409 S HA -0.552 nan 4.470 nan 0.000 0.225 409 S C 1.950 176.469 174.600 -0.136 0.000 1.043 409 S CA 3.965 62.258 58.200 0.155 0.000 1.074 409 S CB -0.368 63.026 63.200 0.324 0.000 0.962 409 S HN 0.222 8.625 8.310 0.155 0.000 0.433 410 E N 0.120 120.051 120.200 -0.448 0.000 2.077 410 E HA -0.326 nan 4.350 nan 0.000 0.193 410 E C 2.293 178.597 176.600 -0.494 0.000 0.989 410 E CA 2.723 58.430 56.400 -1.155 0.000 0.800 410 E CB -0.642 28.587 29.700 -0.784 0.000 0.746 410 E HN -0.461 7.807 8.360 -0.153 0.000 0.452 411 R N -0.199 120.173 120.500 -0.214 0.000 2.083 411 R HA -0.323 nan 4.340 nan 0.000 0.237 411 R C 2.692 178.953 176.300 -0.065 0.000 1.137 411 R CA 3.347 59.392 56.100 -0.093 0.000 0.951 411 R CB -0.123 30.160 30.300 -0.029 0.000 0.851 411 R HN -0.254 7.917 8.270 -0.165 0.000 0.434 412 L N -1.376 119.818 121.223 -0.048 0.000 2.017 412 L HA -0.401 nan 4.340 nan 0.000 0.208 412 L C 1.835 178.663 176.870 -0.070 0.000 1.073 412 L CA 3.061 57.877 54.840 -0.041 0.000 0.745 412 L CB -0.365 41.695 42.059 0.002 0.000 0.894 412 L HN 0.327 8.534 8.230 -0.038 0.000 0.432 413 F N -0.297 119.545 119.950 -0.180 0.000 2.065 413 F HA -0.615 nan 4.527 nan 0.000 0.298 413 F C 1.282 177.041 175.800 -0.068 0.000 1.112 413 F CA 4.034 61.962 58.000 -0.120 0.000 1.212 413 F CB -0.220 38.667 39.000 -0.188 0.000 0.975 413 F HN 0.032 8.333 8.300 0.002 0.000 0.476 414 A N -1.575 121.294 122.820 0.081 0.000 1.859 414 A HA -0.569 nan 4.320 nan 0.000 0.218 414 A C 1.821 179.418 177.584 0.022 0.000 1.209 414 A CA 3.564 55.655 52.037 0.090 0.000 0.639 414 A CB -1.064 17.962 19.000 0.042 0.000 0.835 414 A HN 0.306 8.471 8.150 0.024 0.000 0.450 415 N N -1.084 117.599 118.700 -0.029 0.000 2.036 415 N HA -0.340 nan 4.740 nan 0.000 0.195 415 N C 2.500 177.940 175.510 -0.116 0.000 1.037 415 N CA 2.651 55.670 53.050 -0.051 0.000 0.855 415 N CB -0.524 37.937 38.487 -0.043 0.000 1.033 415 N HN -0.591 7.771 8.380 -0.031 0.000 0.423 416 L N -0.595 120.497 121.223 -0.218 0.000 2.141 416 L HA -0.248 nan 4.340 nan 0.000 0.209 416 L C 1.595 178.335 176.870 -0.217 0.000 1.094 416 L CA 3.215 57.884 54.840 -0.285 0.000 0.763 416 L CB -0.663 41.168 42.059 -0.380 0.000 0.908 416 L HN 0.153 8.249 8.230 -0.224 0.000 0.437 417 W N -0.206 120.792 121.300 -0.502 0.000 2.354 417 W HA -0.398 nan 4.660 nan 0.000 0.315 417 W C 1.698 178.078 176.519 -0.232 0.000 1.206 417 W CA 2.714 59.779 57.345 -0.468 0.000 1.290 417 W CB 0.366 29.498 29.460 -0.547 0.000 1.152 417 W HN 0.617 8.662 8.180 -0.224 0.000 0.489 418 G N -4.007 104.790 108.800 -0.005 0.000 2.499 418 G HA2 -0.402 nan 3.960 nan 0.000 0.221 418 G HA3 -0.402 nan 3.960 nan 0.000 0.221 418 G C 0.213 175.026 174.900 -0.145 0.000 1.109 418 G CA 1.963 47.017 45.100 -0.077 0.000 0.749 418 G HN -0.142 8.210 8.290 0.104 0.000 0.568 419 R N -0.462 119.946 120.500 -0.154 0.000 2.041 419 R HA 0.020 nan 4.340 nan 0.000 0.221 419 R C 1.806 177.988 176.300 -0.198 0.000 1.196 419 R CA 0.373 56.389 56.100 -0.139 0.000 0.969 419 R CB -0.752 29.484 30.300 -0.107 0.000 0.858 419 R HN -0.896 7.156 8.270 -0.141 0.134 0.444 420 L N 1.086 122.164 121.223 -0.242 0.000 2.089 420 L HA -0.443 nan 4.340 nan 0.000 0.213 420 L C 1.383 178.031 176.870 -0.370 0.000 1.079 420 L CA 3.121 57.798 54.840 -0.273 0.000 0.758 420 L CB -0.152 41.731 42.059 -0.292 0.000 0.891 420 L HN -0.168 7.922 8.230 -0.235 0.000 0.433 421 E N -1.646 118.201 120.200 -0.589 0.000 2.130 421 E HA -0.350 nan 4.350 nan 0.000 0.196 421 E C 2.097 178.496 176.600 -0.336 0.000 0.998 421 E CA 2.496 58.489 56.400 -0.679 0.000 0.806 421 E CB -0.143 29.021 29.700 -0.894 0.000 0.738 421 E HN 0.331 8.182 8.360 -0.644 0.123 0.459 422 G N -1.385 107.275 108.800 -0.233 0.000 2.422 422 G HA2 -0.224 nan 3.960 nan 0.000 0.218 422 G HA3 -0.224 nan 3.960 nan 0.000 0.218 422 G C -0.149 174.694 174.900 -0.096 0.000 1.140 422 G CA 0.440 45.461 45.100 -0.131 0.000 0.775 422 G HN -0.299 7.819 8.290 -0.242 0.026 0.545 423 E N 2.441 122.575 120.200 -0.111 0.000 1.881 423 E HA -0.023 nan 4.350 nan 0.000 0.264 423 E C 0.424 177.004 176.600 -0.033 0.000 1.243 423 E CA 0.031 56.394 56.400 -0.063 0.000 0.965 423 E CB -1.598 28.060 29.700 -0.069 0.000 1.055 423 E HN -0.830 7.331 8.360 -0.151 0.109 0.412 424 E N 5.502 125.702 120.200 0.000 0.000 2.204 424 E HA -0.285 nan 4.350 nan 0.000 0.195 424 E C 1.903 178.570 176.600 0.113 0.000 0.990 424 E CA 2.980 59.408 56.400 0.048 0.000 0.821 424 E CB -0.573 29.153 29.700 0.042 0.000 0.750 424 E HN -0.123 8.232 8.360 -0.007 0.000 0.477 425 R N -1.355 119.202 120.500 0.095 0.000 2.062 425 R HA -0.127 nan 4.340 nan 0.000 0.226 425 R C 2.128 178.553 176.300 0.208 0.000 1.125 425 R CA 2.429 58.614 56.100 0.140 0.000 0.966 425 R CB -0.684 29.669 30.300 0.089 0.000 0.861 425 R HN 0.206 8.477 8.270 0.056 0.033 0.433 426 L N -0.240 121.056 121.223 0.122 0.000 1.976 426 L HA -0.268 nan 4.340 nan 0.000 0.209 426 L C 2.149 179.113 176.870 0.157 0.000 1.071 426 L CA 2.795 57.701 54.840 0.110 0.000 0.746 426 L CB -0.259 41.809 42.059 0.016 0.000 0.890 426 L HN -0.517 7.756 8.230 0.070 0.000 0.432 427 L N -2.301 118.980 121.223 0.097 0.000 2.089 427 L HA -0.467 nan 4.340 nan 0.000 0.213 427 L C 1.271 178.281 176.870 0.233 0.000 1.079 427 L CA 3.149 58.057 54.840 0.114 0.000 0.758 427 L CB -0.228 41.821 42.059 -0.016 0.000 0.891 427 L HN 0.245 8.497 8.230 0.038 0.000 0.433 428 W N -1.221 120.140 121.300 0.101 0.000 2.379 428 W HA -0.372 nan 4.660 nan 0.000 0.307 428 W C 1.551 178.142 176.519 0.119 0.000 1.200 428 W CA 4.139 61.552 57.345 0.113 0.000 1.297 428 W CB 0.107 29.629 29.460 0.104 0.000 1.140 428 W HN -0.760 7.561 8.180 0.373 0.083 0.507 429 L N -1.444 120.002 121.223 0.371 0.000 2.043 429 L HA -0.619 nan 4.340 nan 0.000 0.212 429 L C 1.800 178.689 176.870 0.033 0.000 1.075 429 L CA 3.448 58.398 54.840 0.184 0.000 0.752 429 L CB -0.324 41.883 42.059 0.247 0.000 0.891 429 L HN -0.133 8.407 8.230 0.517 0.000 0.432 430 Y N -0.979 119.322 120.300 0.001 0.000 2.089 430 Y HA -0.519 nan 4.550 nan 0.000 0.282 430 Y C 1.934 177.817 175.900 -0.028 0.000 1.139 430 Y CA 3.801 61.919 58.100 0.029 0.000 1.123 430 Y CB -0.069 38.467 38.460 0.127 0.000 0.980 430 Y HN 0.394 8.845 8.280 0.284 0.000 0.493 431 R N -3.019 117.432 120.500 -0.081 0.000 2.092 431 R HA -0.322 nan 4.340 nan 0.000 0.231 431 R C 2.860 178.952 176.300 -0.347 0.000 1.119 431 R CA 3.505 59.477 56.100 -0.214 0.000 0.970 431 R CB 0.132 30.413 30.300 -0.032 0.000 0.864 431 R HN -0.286 8.054 8.270 0.116 0.000 0.440 432 E N -2.867 116.998 120.200 -0.558 0.000 2.276 432 E HA -0.068 nan 4.350 nan 0.000 0.193 432 E C 1.195 177.493 176.600 -0.504 0.000 0.983 432 E CA 2.080 58.071 56.400 -0.682 0.000 0.861 432 E CB 0.567 29.415 29.700 -1.419 0.000 0.817 432 E HN -0.104 7.857 8.360 -0.666 0.000 0.485 433 V N -0.964 118.689 119.914 -0.435 0.000 2.988 433 V HA 0.014 nan 4.120 nan 0.000 0.223 433 V C 1.756 177.748 176.094 -0.169 0.000 1.144 433 V CA 2.044 64.188 62.300 -0.259 0.000 1.242 433 V CB 0.710 32.407 31.823 -0.208 0.000 1.073 433 V HN -0.005 7.819 8.190 -0.432 0.107 0.508 434 E N 0.189 120.325 120.200 -0.107 0.000 2.013 434 E HA -0.444 nan 4.350 nan 0.000 0.202 434 E C 2.218 178.740 176.600 -0.130 0.000 1.018 434 E CA 3.670 60.042 56.400 -0.046 0.000 0.834 434 E CB -0.436 29.327 29.700 0.106 0.000 0.770 434 E HN -0.407 7.896 8.360 -0.095 0.000 0.459 435 R N -1.118 119.204 120.500 -0.298 0.000 2.096 435 R HA -0.266 nan 4.340 nan 0.000 0.240 435 R C -0.092 176.081 176.300 -0.213 0.000 1.139 435 R CA 5.301 61.191 56.100 -0.349 0.000 0.952 435 R CB -1.125 28.765 30.300 -0.684 0.000 0.854 435 R HN -0.347 7.667 8.270 -0.427 0.000 0.436 436 P HA -0.137 nan 4.420 nan 0.000 0.219 436 P C 1.151 178.381 177.300 -0.117 0.000 1.150 436 P CA 2.351 65.371 63.100 -0.135 0.000 0.814 436 P CB -0.276 31.346 31.700 -0.130 0.000 0.787 437 L N -1.756 119.393 121.223 -0.123 0.000 2.079 437 L HA -0.364 nan 4.340 nan 0.000 0.210 437 L C 1.245 178.047 176.870 -0.113 0.000 1.081 437 L CA 2.828 57.598 54.840 -0.117 0.000 0.752 437 L CB -0.261 41.742 42.059 -0.094 0.000 0.896 437 L HN 0.287 8.268 8.230 -0.133 0.169 0.433 438 S N -0.249 115.398 115.700 -0.087 0.000 2.374 438 S HA -0.471 nan 4.470 nan 0.000 0.227 438 S C 1.888 176.445 174.600 -0.072 0.000 1.037 438 S CA 3.641 61.804 58.200 -0.062 0.000 1.024 438 S CB -0.493 62.683 63.200 -0.039 0.000 0.861 438 S HN 0.364 8.609 8.310 -0.091 0.010 0.456 439 A N 0.708 123.479 122.820 -0.082 0.000 1.930 439 A HA -0.123 nan 4.320 nan 0.000 0.217 439 A C 2.017 179.516 177.584 -0.142 0.000 1.175 439 A CA 2.705 54.709 52.037 -0.056 0.000 0.627 439 A CB -0.640 18.358 19.000 -0.003 0.000 0.815 439 A HN -0.567 7.523 8.150 -0.085 0.009 0.443 440 V N -0.082 119.637 119.914 -0.324 0.000 2.295 440 V HA -0.461 nan 4.120 nan 0.000 0.246 440 V C 1.910 177.789 176.094 -0.359 0.000 1.049 440 V CA 4.226 66.138 62.300 -0.646 0.000 1.024 440 V CB -0.980 30.549 31.823 -0.490 0.000 0.648 440 V HN -0.696 7.286 8.190 -0.238 0.066 0.447 441 L N -1.717 119.392 121.223 -0.190 0.000 2.017 441 L HA -0.489 nan 4.340 nan 0.000 0.208 441 L C 1.853 178.738 176.870 0.026 0.000 1.073 441 L CA 3.396 58.195 54.840 -0.067 0.000 0.745 441 L CB -1.041 41.011 42.059 -0.012 0.000 0.894 441 L HN 0.049 8.170 8.230 -0.182 0.000 0.432 442 A N -1.524 121.285 122.820 -0.018 0.000 1.881 442 A HA -0.527 nan 4.320 nan 0.000 0.219 442 A C 1.882 179.440 177.584 -0.043 0.000 1.215 442 A CA 3.331 55.343 52.037 -0.042 0.000 0.648 442 A CB -1.143 17.790 19.000 -0.112 0.000 0.832 442 A HN -0.199 7.924 8.150 -0.044 0.000 0.455 443 H N -1.743 117.282 119.070 -0.075 0.000 2.352 443 H HA -0.372 nan 4.556 nan 0.000 0.299 443 H C 2.719 178.070 175.328 0.038 0.000 1.097 443 H CA 4.687 60.724 56.048 -0.019 0.000 1.311 443 H CB -0.211 29.525 29.762 -0.042 0.000 1.377 443 H HN -0.643 7.652 8.280 0.026 0.000 0.504 444 M N -0.656 119.037 119.600 0.154 0.000 2.080 444 M HA -0.532 nan 4.480 nan 0.000 0.260 444 M C 1.953 178.427 176.300 0.290 0.000 1.068 444 M CA 4.433 59.857 55.300 0.206 0.000 1.109 444 M CB -0.123 32.577 32.600 0.166 0.000 1.342 444 M HN -0.421 7.910 8.290 0.069 0.000 0.405 445 E N -0.337 120.039 120.200 0.293 0.000 2.038 445 E HA -0.428 nan 4.350 nan 0.000 0.195 445 E C 2.077 178.824 176.600 0.244 0.000 1.000 445 E CA 3.368 59.901 56.400 0.222 0.000 0.803 445 E CB 0.086 29.876 29.700 0.151 0.000 0.750 445 E HN -0.075 8.454 8.360 0.281 0.000 0.448 446 A N -2.068 120.829 122.820 0.127 0.000 1.892 446 A HA -0.290 nan 4.320 nan 0.000 0.218 446 A C 2.255 179.952 177.584 0.188 0.000 1.188 446 A CA 3.134 55.210 52.037 0.065 0.000 0.631 446 A CB -0.601 18.369 19.000 -0.050 0.000 0.822 446 A HN 0.336 8.426 8.150 0.079 0.107 0.447 447 T N -2.003 112.648 114.554 0.162 0.000 2.639 447 T HA -0.133 nan 4.350 nan 0.000 0.261 447 T C 0.908 175.604 174.700 -0.006 0.000 1.053 447 T CA 2.761 64.916 62.100 0.092 0.000 1.158 447 T CB 0.349 69.259 68.868 0.070 0.000 0.863 447 T HN 0.086 8.310 8.240 0.153 0.108 0.413 448 G N 0.015 108.784 108.800 -0.052 0.000 2.760 448 G HA2 -0.352 nan 3.960 nan 0.000 0.246 448 G HA3 -0.352 nan 3.960 nan 0.000 0.246 448 G C -1.922 172.859 174.900 -0.199 0.000 1.359 448 G CA -0.302 44.628 45.100 -0.284 0.000 0.861 448 G HN -0.422 7.910 8.290 0.069 0.000 0.541 449 V N -7.307 112.486 119.914 -0.202 0.000 2.823 449 V HA 0.842 nan 4.120 nan 0.000 0.312 449 V C -1.704 174.284 176.094 -0.177 0.000 1.072 449 V CA -3.071 59.147 62.300 -0.136 0.000 0.937 449 V CB 3.239 35.062 31.823 0.001 0.000 1.013 449 V HN 0.179 8.206 8.190 -0.271 0.000 0.430 450 R N 3.042 123.450 120.500 -0.153 0.000 2.410 450 R HA 0.404 nan 4.340 nan 0.000 0.288 450 R C -1.458 174.754 176.300 -0.147 0.000 1.051 450 R CA -0.519 55.496 56.100 -0.141 0.000 1.021 450 R CB 1.708 31.934 30.300 -0.122 0.000 1.032 450 R HN -0.208 7.982 8.270 -0.133 0.000 0.481 451 L N 2.304 123.436 121.223 -0.151 0.000 2.319 451 L HA 0.499 nan 4.340 nan 0.000 0.267 451 L C -0.889 175.947 176.870 -0.057 0.000 1.011 451 L CA -1.643 53.096 54.840 -0.167 0.000 0.818 451 L CB 2.739 44.660 42.059 -0.230 0.000 1.316 451 L HN 0.230 8.387 8.230 -0.122 0.000 0.432 452 D N 2.169 122.569 120.400 -0.001 0.000 2.500 452 D HA 0.111 nan 4.640 nan 0.000 0.219 452 D C -0.054 176.305 176.300 0.099 0.000 1.137 452 D CA -0.997 53.042 54.000 0.064 0.000 0.946 452 D CB -0.018 40.844 40.800 0.103 0.000 1.022 452 D HN 0.393 8.644 8.370 -0.010 0.113 0.518 453 V N 5.988 125.930 119.914 0.046 0.000 2.759 453 V HA -0.207 nan 4.120 nan 0.000 0.256 453 V C 0.333 176.451 176.094 0.040 0.000 1.080 453 V CA 2.459 64.780 62.300 0.035 0.000 1.101 453 V CB -0.118 31.714 31.823 0.014 0.000 0.698 453 V HN -0.063 8.142 8.190 0.024 0.000 0.477 454 A N 0.551 123.406 122.820 0.058 0.000 1.897 454 A HA -0.192 nan 4.320 nan 0.000 0.215 454 A C 0.995 178.615 177.584 0.059 0.000 1.181 454 A CA 3.206 55.272 52.037 0.048 0.000 0.620 454 A CB -0.735 18.298 19.000 0.054 0.000 0.821 454 A HN -0.249 8.028 8.150 0.067 -0.087 0.443 455 Y N 0.425 120.731 120.300 0.011 0.000 2.133 455 Y HA -0.377 nan 4.550 nan 0.000 0.287 455 Y C 1.500 177.411 175.900 0.019 0.000 1.134 455 Y CA 3.309 61.420 58.100 0.018 0.000 1.133 455 Y CB 0.242 38.719 38.460 0.028 0.000 0.987 455 Y HN -0.479 8.165 8.280 0.219 -0.233 0.502 456 L N -0.711 120.532 121.223 0.033 0.000 1.978 456 L HA -0.501 nan 4.340 nan 0.000 0.218 456 L C 1.993 178.791 176.870 -0.121 0.000 1.075 456 L CA 3.380 58.196 54.840 -0.040 0.000 0.767 456 L CB -0.931 41.157 42.059 0.048 0.000 0.890 456 L HN 0.643 8.886 8.230 0.212 0.114 0.434 457 R N -1.669 118.788 120.500 -0.071 0.000 2.096 457 R HA -0.386 nan 4.340 nan 0.000 0.235 457 R C 2.077 178.316 176.300 -0.103 0.000 1.127 457 R CA 3.260 59.320 56.100 -0.067 0.000 0.968 457 R CB -0.820 29.460 30.300 -0.034 0.000 0.861 457 R HN 0.353 8.488 8.270 -0.033 0.116 0.440 458 A N -0.083 122.654 122.820 -0.139 0.000 1.933 458 A HA -0.211 nan 4.320 nan 0.000 0.218 458 A C 2.103 179.557 177.584 -0.216 0.000 1.175 458 A CA 2.681 54.627 52.037 -0.151 0.000 0.628 458 A CB -0.697 18.219 19.000 -0.140 0.000 0.814 458 A HN -0.042 8.033 8.150 -0.124 0.000 0.444 459 L N -1.337 119.666 121.223 -0.367 0.000 2.017 459 L HA -0.385 nan 4.340 nan 0.000 0.208 459 L C 1.667 178.440 176.870 -0.161 0.000 1.073 459 L CA 2.854 57.490 54.840 -0.340 0.000 0.745 459 L CB -0.516 41.262 42.059 -0.468 0.000 0.894 459 L HN 0.487 8.247 8.230 -0.485 0.180 0.432 460 S N -0.730 114.896 115.700 -0.123 0.000 2.365 460 S HA -0.390 nan 4.470 nan 0.000 0.225 460 S C 2.109 176.673 174.600 -0.061 0.000 1.039 460 S CA 4.037 62.196 58.200 -0.069 0.000 1.033 460 S CB -0.196 62.973 63.200 -0.052 0.000 0.887 460 S HN -0.100 8.122 8.310 -0.147 0.000 0.447 461 L N 0.563 121.746 121.223 -0.067 0.000 2.012 461 L HA -0.393 nan 4.340 nan 0.000 0.210 461 L C 1.355 178.197 176.870 -0.046 0.000 1.073 461 L CA 3.022 57.831 54.840 -0.050 0.000 0.748 461 L CB -0.436 41.592 42.059 -0.051 0.000 0.891 461 L HN -0.303 7.880 8.230 -0.080 0.000 0.431 462 E N -0.441 119.723 120.200 -0.061 0.000 2.007 462 E HA -0.362 nan 4.350 nan 0.000 0.194 462 E C 2.340 178.918 176.600 -0.035 0.000 0.999 462 E CA 3.694 60.066 56.400 -0.047 0.000 0.811 462 E CB 0.069 29.734 29.700 -0.059 0.000 0.762 462 E HN -0.373 7.875 8.360 -0.083 0.061 0.450 463 V N 0.107 119.997 119.914 -0.041 0.000 2.453 463 V HA -0.467 nan 4.120 nan 0.000 0.252 463 V C 1.862 177.940 176.094 -0.027 0.000 1.068 463 V CA 3.910 66.192 62.300 -0.030 0.000 1.070 463 V CB -1.163 30.642 31.823 -0.030 0.000 0.664 463 V HN 0.108 8.265 8.190 -0.056 0.000 0.461 464 A N -1.090 121.713 122.820 -0.029 0.000 1.865 464 A HA -0.382 nan 4.320 nan 0.000 0.217 464 A C 1.660 179.240 177.584 -0.007 0.000 1.191 464 A CA 3.625 55.650 52.037 -0.020 0.000 0.623 464 A CB -0.936 18.051 19.000 -0.021 0.000 0.826 464 A HN 0.321 8.456 8.150 -0.035 -0.006 0.444 465 E N -1.366 118.828 120.200 -0.010 0.000 2.085 465 E HA -0.348 nan 4.350 nan 0.000 0.194 465 E C 2.329 178.929 176.600 -0.000 0.000 0.994 465 E CA 2.475 58.872 56.400 -0.005 0.000 0.801 465 E CB -0.542 29.152 29.700 -0.009 0.000 0.743 465 E HN -0.498 7.852 8.360 -0.017 0.000 0.453 466 E N -0.637 119.562 120.200 -0.001 0.000 2.038 466 E HA -0.328 nan 4.350 nan 0.000 0.195 466 E C 2.654 179.270 176.600 0.027 0.000 1.000 466 E CA 3.537 59.940 56.400 0.006 0.000 0.803 466 E CB -0.345 29.355 29.700 0.001 0.000 0.750 466 E HN -0.366 7.987 8.360 -0.008 0.002 0.448 467 I N -3.337 117.254 120.570 0.034 0.000 2.248 467 I HA -0.520 nan 4.170 nan 0.000 0.248 467 I C 1.489 177.707 176.117 0.168 0.000 1.107 467 I CA 3.530 64.896 61.300 0.111 0.000 1.373 467 I CB -0.627 37.376 38.000 0.003 0.000 1.055 467 I HN 0.062 8.276 8.210 0.007 0.000 0.418 468 A N 1.252 124.113 122.820 0.068 0.000 1.841 468 A HA -0.428 nan 4.320 nan 0.000 0.216 468 A C 1.719 179.279 177.584 -0.041 0.000 1.199 468 A CA 3.320 55.363 52.037 0.010 0.000 0.621 468 A CB -1.002 17.998 19.000 0.001 0.000 0.835 468 A HN 0.086 8.266 8.150 0.047 -0.002 0.445 469 R N -1.658 118.829 120.500 -0.023 0.000 2.159 469 R HA -0.446 nan 4.340 nan 0.000 0.252 469 R C 2.610 178.870 176.300 -0.068 0.000 1.144 469 R CA 3.246 59.324 56.100 -0.037 0.000 0.961 469 R CB -0.479 29.811 30.300 -0.016 0.000 0.877 469 R HN -0.194 8.073 8.270 -0.005 0.000 0.444 470 L N -1.780 119.419 121.223 -0.040 0.000 1.994 470 L HA -0.312 nan 4.340 nan 0.000 0.208 470 L C 2.004 178.710 176.870 -0.273 0.000 1.071 470 L CA 2.708 57.507 54.840 -0.070 0.000 0.745 470 L CB -1.474 40.628 42.059 0.072 0.000 0.892 470 L HN -0.057 8.179 8.230 0.007 -0.001 0.431 471 E N -0.748 119.197 120.200 -0.425 0.000 2.070 471 E HA -0.524 nan 4.350 nan 0.000 0.197 471 E C 2.046 178.121 176.600 -0.875 0.000 1.004 471 E CA 3.427 59.292 56.400 -0.891 0.000 0.805 471 E CB -0.000 29.235 29.700 -0.775 0.000 0.744 471 E HN 0.083 8.315 8.360 -0.213 0.000 0.451 472 A N -1.309 121.241 122.820 -0.450 0.000 1.851 472 A HA -0.391 nan 4.320 nan 0.000 0.216 472 A C 2.051 179.532 177.584 -0.172 0.000 1.195 472 A CA 3.359 55.250 52.037 -0.243 0.000 0.622 472 A CB -1.032 17.906 19.000 -0.103 0.000 0.831 472 A HN 0.045 7.989 8.150 -0.332 0.007 0.444 473 E N -2.093 118.022 120.200 -0.143 0.000 2.108 473 E HA -0.491 nan 4.350 nan 0.000 0.203 473 E C 2.413 178.976 176.600 -0.062 0.000 1.022 473 E CA 3.331 59.683 56.400 -0.081 0.000 0.823 473 E CB -0.129 29.530 29.700 -0.068 0.000 0.744 473 E HN -0.374 7.897 8.360 -0.147 0.000 0.456 474 V N -3.463 116.374 119.914 -0.128 0.000 2.343 474 V HA -0.318 nan 4.120 nan 0.000 0.247 474 V C 1.736 177.966 176.094 0.227 0.000 1.051 474 V CA 3.972 66.271 62.300 -0.002 0.000 1.036 474 V CB -1.134 30.660 31.823 -0.048 0.000 0.654 474 V HN -0.172 7.879 8.190 -0.232 0.000 0.451 475 F N 0.671 120.661 119.950 0.067 0.000 2.171 475 F HA -0.259 nan 4.527 nan 0.000 0.300 475 F C 2.256 178.088 175.800 0.052 0.000 1.090 475 F CA 1.187 59.265 58.000 0.130 0.000 1.293 475 F CB -1.604 37.410 39.000 0.023 0.000 1.013 475 F HN -0.401 7.748 8.300 -0.252 0.000 0.486 476 R N 0.039 120.651 120.500 0.187 0.000 2.083 476 R HA -0.331 nan 4.340 nan 0.000 0.237 476 R C 1.812 178.130 176.300 0.030 0.000 1.137 476 R CA 3.290 59.436 56.100 0.076 0.000 0.951 476 R CB -0.058 30.262 30.300 0.033 0.000 0.851 476 R HN -0.118 8.241 8.270 0.156 0.005 0.434 477 L N -3.222 118.019 121.223 0.030 0.000 2.027 477 L HA -0.163 nan 4.340 nan 0.000 0.206 477 L C 1.913 178.749 176.870 -0.057 0.000 1.074 477 L CA 1.849 56.675 54.840 -0.024 0.000 0.745 477 L CB -0.820 41.216 42.059 -0.037 0.000 0.898 477 L HN -0.446 7.813 8.230 0.049 0.000 0.433 478 A N -4.638 118.174 122.820 -0.013 0.000 2.066 478 A HA -0.087 nan 4.320 nan 0.000 0.218 478 A C 0.892 178.171 177.584 -0.509 0.000 1.157 478 A CA 1.591 53.516 52.037 -0.186 0.000 0.670 478 A CB 1.346 20.290 19.000 -0.092 0.000 0.804 478 A HN 0.185 8.403 8.150 0.113 0.000 0.453 479 G N -0.967 107.684 108.800 -0.248 0.000 5.347 479 G HA2 -0.382 nan 3.960 nan 0.000 0.299 479 G HA3 -0.382 nan 3.960 nan 0.000 0.299 479 G C -0.755 174.027 174.900 -0.197 0.000 1.492 479 G CA 0.360 45.306 45.100 -0.258 0.000 0.991 479 G HN 0.425 8.557 8.290 -0.057 0.124 0.749 480 H N 3.524 122.587 119.070 -0.011 0.000 3.046 480 H HA 0.101 nan 4.556 nan 0.000 0.303 480 H C -1.411 173.893 175.328 -0.040 0.000 1.002 480 H CA -3.222 52.804 56.048 -0.036 0.000 1.460 480 H CB -0.991 28.738 29.762 -0.056 0.000 1.493 480 H HN -0.388 7.111 8.280 -1.229 0.043 0.559 481 P HA -0.103 nan 4.420 nan 0.000 0.238 481 P C -1.667 175.217 177.300 -0.694 0.000 1.729 481 P CA -0.269 62.442 63.100 -0.649 0.000 1.055 481 P CB -1.454 30.007 31.700 -0.399 0.000 1.980 482 F N -0.517 119.034 119.950 -0.664 0.000 2.471 482 F HA -0.050 nan 4.527 nan 0.000 0.353 482 F C -0.810 174.796 175.800 -0.323 0.000 1.113 482 F CA -3.103 54.683 58.000 -0.357 0.000 1.262 482 F CB 0.020 38.926 39.000 -0.157 0.000 1.146 482 F HN -0.238 8.238 8.300 0.381 0.053 0.578 483 N N 3.824 122.403 118.700 -0.202 0.000 2.406 483 N HA -0.106 nan 4.740 nan 0.000 0.269 483 N C -0.573 174.854 175.510 -0.138 0.000 1.210 483 N CA -0.419 52.544 53.050 -0.144 0.000 0.966 483 N CB -0.092 38.367 38.487 -0.046 0.000 1.293 483 N HN -0.118 8.405 8.380 -0.071 -0.185 0.491 484 L N 4.774 125.847 121.223 -0.252 0.000 2.472 484 L HA -0.270 nan 4.340 nan 0.000 0.273 484 L C 0.165 177.030 176.870 -0.008 0.000 1.254 484 L CA 1.592 56.289 54.840 -0.239 0.000 0.823 484 L CB 0.604 42.414 42.059 -0.415 0.000 1.096 484 L HN -0.191 7.962 8.230 -0.129 0.000 0.521 485 N N 1.116 119.862 118.700 0.077 0.000 2.663 485 N HA -0.161 nan 4.740 nan 0.000 0.263 485 N C -1.751 173.801 175.510 0.070 0.000 1.109 485 N CA 0.663 53.779 53.050 0.111 0.000 0.701 485 N CB -0.620 37.961 38.487 0.157 0.000 0.879 485 N HN 0.136 8.567 8.380 0.084 0.000 0.550 486 S N -0.879 114.861 115.700 0.068 0.000 2.862 486 S HA -0.019 nan 4.470 nan 0.000 0.148 486 S C 0.661 175.293 174.600 0.052 0.000 0.829 486 S CA -0.337 57.894 58.200 0.051 0.000 0.991 486 S CB 0.895 64.121 63.200 0.044 0.000 1.607 486 S HN -0.214 8.145 8.310 0.082 0.000 0.474 487 R N 2.915 123.443 120.500 0.047 0.000 2.293 487 R HA -0.545 nan 4.340 nan 0.000 0.245 487 R C 1.008 177.317 176.300 0.015 0.000 1.105 487 R CA 3.815 59.937 56.100 0.037 0.000 0.916 487 R CB -0.867 29.456 30.300 0.037 0.000 0.963 487 R HN 0.635 8.933 8.270 0.047 0.000 0.429 488 D N -2.739 117.671 120.400 0.017 0.000 2.182 488 D HA -0.187 nan 4.640 nan 0.000 0.201 488 D C 2.560 178.848 176.300 -0.019 0.000 0.986 488 D CA 3.240 57.242 54.000 0.004 0.000 0.847 488 D CB -0.848 39.960 40.800 0.014 0.000 0.942 488 D HN 0.139 8.518 8.370 0.024 0.006 0.467 489 Q N -0.113 119.690 119.800 0.006 0.000 2.163 489 Q HA -0.125 nan 4.340 nan 0.000 0.198 489 Q C 2.033 178.035 176.000 0.004 0.000 0.954 489 Q CA 2.701 58.510 55.803 0.010 0.000 0.851 489 Q CB 0.497 29.273 28.738 0.063 0.000 0.928 489 Q HN -0.019 8.268 8.270 0.028 0.000 0.459 490 L N 0.652 121.912 121.223 0.061 0.000 2.027 490 L HA -0.336 nan 4.340 nan 0.000 0.206 490 L C 1.650 178.381 176.870 -0.232 0.000 1.074 490 L CA 3.331 58.208 54.840 0.062 0.000 0.745 490 L CB -0.505 41.638 42.059 0.141 0.000 0.898 490 L HN -0.397 7.877 8.230 0.074 0.000 0.433 491 E N -1.429 118.587 120.200 -0.306 0.000 2.065 491 E HA -0.539 nan 4.350 nan 0.000 0.201 491 E C 2.011 178.040 176.600 -0.952 0.000 1.016 491 E CA 3.719 59.681 56.400 -0.731 0.000 0.818 491 E CB -0.645 28.882 29.700 -0.289 0.000 0.749 491 E HN 0.329 8.595 8.360 -0.157 0.000 0.453 492 R N -1.265 119.000 120.500 -0.392 0.000 2.132 492 R HA -0.382 nan 4.340 nan 0.000 0.233 492 R C 2.061 178.188 176.300 -0.287 0.000 1.125 492 R CA 3.221 59.181 56.100 -0.233 0.000 0.914 492 R CB -0.036 30.173 30.300 -0.152 0.000 0.845 492 R HN -0.832 7.289 8.270 -0.248 0.000 0.431 493 V N -0.925 118.781 119.914 -0.347 0.000 2.317 493 V HA -0.325 nan 4.120 nan 0.000 0.251 493 V C 1.732 177.666 176.094 -0.267 0.000 1.065 493 V CA 3.146 65.202 62.300 -0.407 0.000 1.049 493 V CB -0.488 30.843 31.823 -0.821 0.000 0.651 493 V HN -0.267 7.732 8.190 -0.320 0.000 0.450 494 L N -3.839 117.191 121.223 -0.321 0.000 2.017 494 L HA -0.237 nan 4.340 nan 0.000 0.208 494 L C 2.353 179.272 176.870 0.081 0.000 1.073 494 L CA 2.565 57.314 54.840 -0.151 0.000 0.745 494 L CB 0.285 42.191 42.059 -0.256 0.000 0.894 494 L HN -0.027 7.944 8.230 -0.432 0.000 0.432 495 F N -0.491 119.453 119.950 -0.011 0.000 2.668 495 F HA -0.079 nan 4.527 nan 0.000 0.365 495 F C -0.356 175.437 175.800 -0.012 0.000 1.165 495 F CA -0.815 57.179 58.000 -0.010 0.000 1.344 495 F CB -2.747 36.247 39.000 -0.010 0.000 1.658 495 F HN -0.052 7.885 8.300 -0.605 0.000 0.620 496 D N -4.502 115.987 120.400 0.149 0.000 3.531 496 D HA -0.129 nan 4.640 nan 0.000 0.443 496 D C -0.074 176.277 176.300 0.086 0.000 0.722 496 D CA 0.470 54.526 54.000 0.092 0.000 0.931 496 D CB 0.067 40.903 40.800 0.060 0.000 1.666 496 D HN 0.227 8.593 8.370 0.158 0.099 0.244 497 E N 2.537 122.797 120.200 0.100 0.000 2.467 497 E HA 0.155 nan 4.350 nan 0.000 0.321 497 E C -0.102 176.609 176.600 0.186 0.000 1.388 497 E CA -0.410 56.057 56.400 0.112 0.000 1.508 497 E CB -1.655 28.119 29.700 0.124 0.000 1.250 497 E HN -0.325 7.992 8.360 0.113 0.111 0.500 514 T N 0.044 114.697 114.554 0.165 0.000 3.636 514 T HA 0.072 nan 4.350 nan 0.000 0.279 514 T C -0.989 173.765 174.700 0.090 0.000 0.977 514 T CA 0.646 62.825 62.100 0.132 0.000 1.139 514 T CB 1.329 70.260 68.868 0.105 0.000 1.147 514 T HN 0.060 8.377 8.240 0.128 0.000 0.442 515 S N 3.797 119.541 115.700 0.075 0.000 2.885 515 S HA -0.385 nan 4.470 nan 0.000 0.334 515 S C 0.471 175.102 174.600 0.051 0.000 1.224 515 S CA 1.622 59.856 58.200 0.056 0.000 1.080 515 S CB 0.058 63.287 63.200 0.048 0.000 0.801 515 S HN -0.180 8.177 8.310 0.077 0.000 0.510 516 A N 6.696 129.543 122.820 0.045 0.000 3.102 516 A HA -0.514 nan 4.320 nan 0.000 0.332 516 A C 0.646 178.257 177.584 0.044 0.000 1.862 516 A CA 1.941 54.001 52.037 0.039 0.000 0.967 516 A CB -1.930 17.089 19.000 0.033 0.000 1.442 516 A HN 0.660 8.836 8.150 0.044 0.000 0.640 517 A N 0.052 122.898 122.820 0.044 0.000 2.292 517 A HA -0.435 nan 4.320 nan 0.000 0.215 517 A C 1.744 179.361 177.584 0.054 0.000 1.339 517 A CA 3.203 55.265 52.037 0.043 0.000 0.895 517 A CB -0.333 18.690 19.000 0.039 0.000 0.795 517 A HN -0.227 7.930 8.150 0.041 0.019 0.529 518 V N -1.781 118.179 119.914 0.076 0.000 3.305 518 V HA -0.210 nan 4.120 nan 0.000 0.269 518 V C 1.738 177.889 176.094 0.094 0.000 1.157 518 V CA 2.249 64.608 62.300 0.098 0.000 1.157 518 V CB -1.340 30.582 31.823 0.165 0.000 0.772 518 V HN -0.064 8.177 8.190 0.086 0.000 0.498 519 L N 0.464 121.734 121.223 0.079 0.000 2.044 519 L HA -0.136 nan 4.340 nan 0.000 0.205 519 L C 2.141 179.047 176.870 0.059 0.000 1.075 519 L CA 3.009 57.890 54.840 0.070 0.000 0.747 519 L CB -0.305 41.790 42.059 0.059 0.000 0.903 519 L HN 0.197 8.274 8.230 0.074 0.198 0.435 520 E N -1.618 118.613 120.200 0.051 0.000 2.072 520 E HA -0.203 nan 4.350 nan 0.000 0.190 520 E C 2.016 178.644 176.600 0.046 0.000 0.982 520 E CA 1.923 58.349 56.400 0.043 0.000 0.803 520 E CB -0.246 29.476 29.700 0.036 0.000 0.755 520 E HN 0.187 8.577 8.360 0.051 0.000 0.453 521 A N 0.274 123.125 122.820 0.051 0.000 3.105 521 A HA 0.176 nan 4.320 nan 0.000 0.272 521 A C -0.935 176.689 177.584 0.068 0.000 1.466 521 A CA -1.002 51.066 52.037 0.052 0.000 1.101 521 A CB -1.332 17.694 19.000 0.044 0.000 1.065 521 A HN -0.220 7.925 8.150 0.052 0.037 0.643 522 L N 1.308 122.574 121.223 0.072 0.000 2.865 522 L HA 0.037 nan 4.340 nan 0.000 0.233 522 L C -1.457 175.461 176.870 0.081 0.000 1.320 522 L CA -0.600 54.292 54.840 0.087 0.000 1.225 522 L CB -0.973 41.139 42.059 0.087 0.000 1.542 522 L HN -0.746 7.441 8.230 0.063 0.081 0.432 523 R N -1.248 119.296 120.500 0.072 0.000 2.687 523 R HA 0.271 nan 4.340 nan 0.000 0.265 523 R C -2.046 174.282 176.300 0.047 0.000 1.048 523 R CA -0.747 55.393 56.100 0.067 0.000 0.884 523 R CB 2.753 33.088 30.300 0.057 0.000 1.258 523 R HN -0.600 7.643 8.270 0.067 0.067 0.469 524 E N 2.748 122.977 120.200 0.048 0.000 2.331 524 E HA 0.100 nan 4.350 nan 0.000 0.263 524 E C -1.818 174.811 176.600 0.050 0.000 1.224 524 E CA -0.150 56.257 56.400 0.012 0.000 0.898 524 E CB 1.289 30.949 29.700 -0.067 0.000 1.591 524 E HN 0.178 8.584 8.360 0.077 0.000 0.463 525 A N 0.974 123.816 122.820 0.037 0.000 3.030 525 A HA 0.070 nan 4.320 nan 0.000 0.273 525 A C -1.230 176.505 177.584 0.252 0.000 1.841 525 A CA 0.918 53.014 52.037 0.098 0.000 1.479 525 A CB -0.987 18.057 19.000 0.073 0.000 1.048 525 A HN 0.259 8.405 8.150 -0.006 0.000 0.612 526 H N 2.439 121.527 119.070 0.030 0.000 3.149 526 H HA 0.223 nan 4.556 nan 0.000 0.334 526 H C -2.042 173.305 175.328 0.032 0.000 1.000 526 H CA -1.903 54.164 56.048 0.031 0.000 1.415 526 H CB 1.913 31.698 29.762 0.039 0.000 1.819 526 H HN -0.203 8.159 8.280 0.191 0.033 0.486 527 P HA -0.099 nan 4.420 nan 0.000 0.219 527 P C 1.017 178.327 177.300 0.017 0.000 1.150 527 P CA 1.975 65.083 63.100 0.014 0.000 0.814 527 P CB 0.554 32.241 31.700 -0.021 0.000 0.787 528 I N -3.023 117.540 120.570 -0.012 0.000 2.208 528 I HA -0.390 nan 4.170 nan 0.000 0.245 528 I C 1.202 177.366 176.117 0.078 0.000 1.097 528 I CA 3.009 64.324 61.300 0.025 0.000 1.363 528 I CB 0.208 38.215 38.000 0.012 0.000 1.051 528 I HN -0.225 7.913 8.210 -0.092 0.017 0.413 529 V N -3.257 116.726 119.914 0.115 0.000 2.332 529 V HA -0.489 nan 4.120 nan 0.000 0.248 529 V C 1.779 177.928 176.094 0.090 0.000 1.055 529 V CA 3.663 66.033 62.300 0.117 0.000 1.038 529 V CB -1.337 30.565 31.823 0.132 0.000 0.651 529 V HN -0.584 7.692 8.190 0.144 0.000 0.450 530 E N 0.404 120.650 120.200 0.077 0.000 2.051 530 E HA -0.332 nan 4.350 nan 0.000 0.192 530 E C 2.304 178.938 176.600 0.056 0.000 0.991 530 E CA 3.173 59.609 56.400 0.061 0.000 0.799 530 E CB -0.622 29.107 29.700 0.049 0.000 0.748 530 E HN -0.606 7.803 8.360 0.082 0.000 0.449 531 K N -1.194 119.233 120.400 0.045 0.000 2.044 531 K HA -0.275 nan 4.320 nan 0.000 0.210 531 K C 2.716 179.349 176.600 0.054 0.000 1.049 531 K CA 2.517 58.822 56.287 0.031 0.000 0.927 531 K CB -0.529 31.971 32.500 -0.000 0.000 0.713 531 K HN -0.123 8.152 8.250 0.041 0.000 0.443 532 I N -2.654 117.956 120.570 0.067 0.000 2.226 532 I HA -0.392 nan 4.170 nan 0.000 0.245 532 I C 1.348 177.553 176.117 0.146 0.000 1.100 532 I CA 3.831 65.193 61.300 0.104 0.000 1.374 532 I CB -0.319 37.751 38.000 0.116 0.000 1.057 532 I HN 0.056 8.305 8.210 0.066 0.000 0.413 533 L N -0.102 121.184 121.223 0.105 0.000 2.079 533 L HA -0.504 nan 4.340 nan 0.000 0.210 533 L C 2.570 179.486 176.870 0.077 0.000 1.081 533 L CA 3.161 58.053 54.840 0.087 0.000 0.752 533 L CB -0.757 41.343 42.059 0.069 0.000 0.896 533 L HN -0.012 8.223 8.230 0.093 0.051 0.433 534 Q N -1.559 118.288 119.800 0.080 0.000 2.137 534 Q HA -0.307 nan 4.340 nan 0.000 0.198 534 Q C 2.338 178.388 176.000 0.083 0.000 0.960 534 Q CA 3.087 58.928 55.803 0.063 0.000 0.847 534 Q CB 0.019 28.788 28.738 0.052 0.000 0.915 534 Q HN 0.320 8.636 8.270 0.078 0.000 0.448 535 Y N 1.405 121.690 120.300 -0.025 0.000 2.097 535 Y HA -0.514 nan 4.550 nan 0.000 0.282 535 Y C 1.489 177.374 175.900 -0.025 0.000 1.152 535 Y CA 3.552 61.627 58.100 -0.042 0.000 1.136 535 Y CB -0.017 38.401 38.460 -0.071 0.000 0.975 535 Y HN 0.029 8.375 8.280 0.213 0.063 0.498 536 R N -2.536 117.972 120.500 0.012 0.000 2.094 536 R HA -0.520 nan 4.340 nan 0.000 0.239 536 R C 2.385 178.628 176.300 -0.094 0.000 1.137 536 R CA 4.078 60.134 56.100 -0.073 0.000 0.943 536 R CB -0.402 29.919 30.300 0.035 0.000 0.850 536 R HN 0.374 8.758 8.270 0.190 0.000 0.433 537 E N -0.899 119.280 120.200 -0.034 0.000 2.077 537 E HA -0.256 nan 4.350 nan 0.000 0.193 537 E C 2.635 179.208 176.600 -0.045 0.000 0.989 537 E CA 2.609 58.996 56.400 -0.022 0.000 0.800 537 E CB -0.493 29.211 29.700 0.006 0.000 0.746 537 E HN -0.641 7.719 8.360 -0.000 0.000 0.452 538 L N -2.271 118.911 121.223 -0.070 0.000 2.127 538 L HA -0.358 nan 4.340 nan 0.000 0.211 538 L C 2.595 179.390 176.870 -0.126 0.000 1.089 538 L CA 2.955 57.749 54.840 -0.078 0.000 0.757 538 L CB -0.439 41.579 42.059 -0.068 0.000 0.899 538 L HN 0.070 8.263 8.230 -0.061 0.000 0.434 539 T N -2.117 112.298 114.554 -0.231 0.000 2.770 539 T HA -0.281 nan 4.350 nan 0.000 0.263 539 T C 1.785 176.407 174.700 -0.130 0.000 1.039 539 T CA 3.871 65.823 62.100 -0.245 0.000 1.142 539 T CB -0.436 68.180 68.868 -0.421 0.000 0.868 539 T HN 0.284 8.344 8.240 -0.309 -0.005 0.435 540 K N 2.176 122.518 120.400 -0.096 0.000 2.103 540 K HA -0.354 nan 4.320 nan 0.000 0.207 540 K C 2.624 179.226 176.600 0.003 0.000 1.048 540 K CA 3.118 59.378 56.287 -0.044 0.000 0.930 540 K CB -0.340 32.149 32.500 -0.018 0.000 0.716 540 K HN -0.032 8.148 8.250 -0.117 0.000 0.444 541 L N -1.796 119.452 121.223 0.043 0.000 2.056 541 L HA -0.312 nan 4.340 nan 0.000 0.207 541 L C 1.673 178.615 176.870 0.121 0.000 1.078 541 L CA 2.889 57.818 54.840 0.149 0.000 0.749 541 L CB -0.553 41.569 42.059 0.105 0.000 0.901 541 L HN 0.303 8.540 8.230 0.012 0.000 0.433 542 K N 0.100 120.516 120.400 0.027 0.000 1.985 542 K HA -0.374 nan 4.320 nan 0.000 0.210 542 K C 1.786 178.376 176.600 -0.016 0.000 1.047 542 K CA 3.173 59.461 56.287 0.002 0.000 0.932 542 K CB -0.302 32.171 32.500 -0.045 0.000 0.716 542 K HN -0.466 7.712 8.250 -0.006 0.069 0.439 543 S N -4.579 111.092 115.700 -0.049 0.000 2.660 543 S HA 0.021 nan 4.470 nan 0.000 0.223 543 S C 1.205 175.740 174.600 -0.108 0.000 0.963 543 S CA 2.487 60.644 58.200 -0.071 0.000 0.932 543 S CB -0.417 62.739 63.200 -0.075 0.000 0.775 543 S HN 0.251 8.526 8.310 -0.057 0.000 0.531 544 T N 1.490 115.962 114.554 -0.137 0.000 3.019 544 T HA 0.141 nan 4.350 nan 0.000 0.247 544 T C 0.111 174.494 174.700 -0.529 0.000 0.992 544 T CA 2.114 64.006 62.100 -0.346 0.000 1.036 544 T CB 1.316 69.937 68.868 -0.411 0.000 1.063 544 T HN -0.490 7.514 8.240 -0.069 0.194 0.476 545 Y N -2.485 117.834 120.300 0.031 0.000 2.817 545 Y HA 0.205 nan 4.550 nan 0.000 0.257 545 Y C 0.911 176.843 175.900 0.054 0.000 1.055 545 Y CA 1.357 59.497 58.100 0.067 0.000 1.319 545 Y CB 1.958 40.480 38.460 0.103 0.000 1.481 545 Y HN -0.291 7.932 8.280 0.085 0.107 0.471 546 I N 0.037 120.727 120.570 0.200 0.000 2.208 546 I HA -0.554 nan 4.170 nan 0.000 0.245 546 I C 1.311 177.455 176.117 0.045 0.000 1.097 546 I CA 3.659 65.022 61.300 0.105 0.000 1.363 546 I CB -0.149 37.886 38.000 0.059 0.000 1.051 546 I HN -0.608 7.735 8.210 0.223 0.000 0.413 547 D N -1.595 118.814 120.400 0.016 0.000 2.146 547 D HA 0.225 nan 4.640 nan 0.000 0.209 547 D C -0.329 175.961 176.300 -0.017 0.000 0.973 547 D CA 2.889 56.883 54.000 -0.010 0.000 0.860 547 D CB -1.637 39.146 40.800 -0.028 0.000 1.015 547 D HN -0.039 8.340 8.370 0.014 0.000 0.465 548 P HA -0.211 nan 4.420 nan 0.000 0.217 548 P C 1.279 178.563 177.300 -0.026 0.000 1.148 548 P CA 2.073 65.142 63.100 -0.051 0.000 0.834 548 P CB -0.130 31.520 31.700 -0.085 0.000 0.783 549 L N -2.838 118.389 121.223 0.008 0.000 2.010 549 L HA -0.364 nan 4.340 nan 0.000 0.219 549 L C -1.123 175.749 176.870 0.004 0.000 1.077 549 L CA 4.690 59.538 54.840 0.013 0.000 0.773 549 L CB -2.620 39.458 42.059 0.032 0.000 0.892 549 L HN -0.564 7.670 8.230 0.028 0.014 0.436 550 P HA -0.197 nan 4.420 nan 0.000 0.215 550 P C 2.123 179.449 177.300 0.044 0.000 1.157 550 P CA 2.702 65.812 63.100 0.017 0.000 0.868 550 P CB -0.236 31.469 31.700 0.009 0.000 0.788 551 D N -2.014 118.401 120.400 0.024 0.000 2.178 551 D HA -0.199 nan 4.640 nan 0.000 0.201 551 D C 1.299 177.650 176.300 0.084 0.000 0.980 551 D CA 2.820 56.841 54.000 0.035 0.000 0.842 551 D CB -0.483 40.290 40.800 -0.045 0.000 0.948 551 D HN -0.503 7.867 8.370 0.000 0.000 0.472 552 L N -3.552 117.700 121.223 0.048 0.000 2.642 552 L HA -0.247 nan 4.340 nan 0.000 0.236 552 L C -0.553 176.542 176.870 0.376 0.000 1.169 552 L CA 0.774 55.682 54.840 0.113 0.000 0.851 552 L CB -0.229 41.852 42.059 0.037 0.000 0.968 552 L HN -0.661 7.495 8.230 0.004 0.076 0.453 553 I N -2.214 118.540 120.570 0.307 0.000 2.363 553 I HA -0.179 nan 4.170 nan 0.000 0.292 553 I C -0.267 176.040 176.117 0.317 0.000 1.075 553 I CA -0.542 60.912 61.300 0.255 0.000 1.333 553 I CB -0.089 37.977 38.000 0.110 0.000 1.415 553 I HN -0.690 7.463 8.210 0.213 0.185 0.502 554 H N 11.124 130.257 119.070 0.105 0.000 2.929 554 H HA 0.126 nan 4.556 nan 0.000 0.317 554 H C -0.611 174.557 175.328 -0.266 0.000 1.031 554 H CA -0.208 55.587 56.048 -0.422 0.000 1.466 554 H CB 0.844 30.348 29.762 -0.430 0.000 1.482 554 H HN -0.171 8.336 8.280 0.378 0.000 0.561 555 P HA -0.134 nan 4.420 nan 0.000 0.215 555 P C 0.607 177.932 177.300 0.042 0.000 1.153 555 P CA 2.289 65.350 63.100 -0.065 0.000 0.853 555 P CB 0.155 31.771 31.700 -0.139 0.000 0.788 556 R N -3.175 117.437 120.500 0.187 0.000 2.237 556 R HA -0.093 nan 4.340 nan 0.000 0.219 556 R C 1.264 177.533 176.300 -0.051 0.000 1.080 556 R CA 1.594 57.722 56.100 0.046 0.000 0.995 556 R CB 0.306 30.616 30.300 0.016 0.000 0.875 556 R HN -0.024 8.425 8.270 0.299 0.000 0.462 557 T N -8.718 105.810 114.554 -0.043 0.000 2.969 557 T HA 0.321 nan 4.350 nan 0.000 0.258 557 T C 0.689 175.373 174.700 -0.026 0.000 0.962 557 T CA -0.683 61.379 62.100 -0.065 0.000 0.903 557 T CB 1.546 70.364 68.868 -0.084 0.000 1.177 557 T HN -0.545 7.683 8.240 0.060 0.048 0.511 558 G N 4.675 113.479 108.800 0.006 0.000 2.176 558 G HA2 -0.392 nan 3.960 nan 0.000 0.252 558 G HA3 -0.392 nan 3.960 nan 0.000 0.252 558 G C -1.583 173.293 174.900 -0.039 0.000 1.024 558 G CA 0.683 45.776 45.100 -0.011 0.000 0.755 558 G HN 0.469 8.784 8.290 0.042 0.000 0.507 559 R N -6.009 114.469 120.500 -0.037 0.000 2.663 559 R HA 0.552 nan 4.340 nan 0.000 0.267 559 R C -1.721 174.449 176.300 -0.217 0.000 1.038 559 R CA -2.052 53.960 56.100 -0.146 0.000 0.886 559 R CB 2.629 32.793 30.300 -0.227 0.000 1.249 559 R HN -0.903 7.350 8.270 0.030 0.035 0.463 560 L N 0.960 122.055 121.223 -0.213 0.000 2.456 560 L HA 0.059 nan 4.340 nan 0.000 0.272 560 L C -1.591 175.067 176.870 -0.353 0.000 1.189 560 L CA 0.147 54.914 54.840 -0.122 0.000 0.846 560 L CB 1.255 43.253 42.059 -0.101 0.000 1.111 560 L HN 0.332 8.432 8.230 -0.217 0.000 0.475 561 H N 5.778 124.931 119.070 0.137 0.000 2.791 561 H HA 0.219 nan 4.556 nan 0.000 0.272 561 H C -1.458 173.871 175.328 0.002 0.000 1.188 561 H CA -1.317 54.778 56.048 0.078 0.000 1.436 561 H CB -0.029 29.809 29.762 0.127 0.000 1.467 561 H HN 0.314 8.790 8.280 0.327 0.000 0.500 562 T N 3.991 118.495 114.554 -0.083 0.000 2.834 562 T HA -0.046 nan 4.350 nan 0.000 0.298 562 T C -0.288 174.077 174.700 -0.559 0.000 0.966 562 T CA 0.748 62.672 62.100 -0.294 0.000 1.141 562 T CB 0.271 68.895 68.868 -0.405 0.000 0.905 562 T HN 0.143 8.329 8.240 -0.090 0.000 0.535 563 R N 5.287 125.578 120.500 -0.349 0.000 2.390 563 R HA 0.181 nan 4.340 nan 0.000 0.291 563 R C -0.959 175.116 176.300 -0.376 0.000 1.070 563 R CA -0.501 55.443 56.100 -0.260 0.000 1.014 563 R CB 1.315 31.566 30.300 -0.081 0.000 1.007 563 R HN 0.708 8.833 8.270 -0.243 0.000 0.466 564 F N 2.219 122.188 119.950 0.032 0.000 2.467 564 F HA 0.465 nan 4.527 nan 0.000 0.336 564 F C -1.385 174.410 175.800 -0.008 0.000 1.123 564 F CA -1.684 56.322 58.000 0.011 0.000 0.964 564 F CB 1.993 40.992 39.000 -0.001 0.000 1.136 564 F HN -0.277 8.260 8.300 0.047 -0.209 0.447 565 N N 2.422 121.224 118.700 0.170 0.000 2.407 565 N HA 0.451 nan 4.740 nan 0.000 0.277 565 N C 0.030 175.538 175.510 -0.004 0.000 0.995 565 N CA -2.041 51.041 53.050 0.054 0.000 0.903 565 N CB 2.249 40.740 38.487 0.006 0.000 1.218 565 N HN 0.516 9.012 8.380 0.193 0.000 0.487 566 Q N 5.683 125.449 119.800 -0.056 0.000 2.020 566 Q HA -0.255 nan 4.340 nan 0.000 0.202 566 Q C 0.593 176.400 176.000 -0.322 0.000 0.982 566 Q CA 2.975 58.712 55.803 -0.110 0.000 0.838 566 Q CB 0.424 29.110 28.738 -0.087 0.000 0.899 566 Q HN 0.707 8.954 8.270 -0.040 0.000 0.423 567 T N -6.358 107.851 114.554 -0.575 0.000 4.022 567 T HA 0.055 nan 4.350 nan 0.000 0.347 567 T C 0.580 174.962 174.700 -0.531 0.000 1.227 567 T CA -1.024 60.280 62.100 -1.326 0.000 0.898 567 T CB 1.116 69.436 68.868 -0.912 0.000 2.033 567 T HN -0.626 7.597 8.240 -0.363 -0.201 0.525 568 A N -0.864 121.798 122.820 -0.264 0.000 3.870 568 A HA -0.287 nan 4.320 nan 0.000 0.246 568 A C -0.074 177.559 177.584 0.081 0.000 0.669 568 A CA 1.985 54.002 52.037 -0.033 0.000 1.221 568 A CB -1.584 17.392 19.000 -0.041 0.000 1.199 568 A HN 0.604 8.589 8.150 -0.274 0.000 0.685 569 T N -5.943 108.700 114.554 0.149 0.000 2.948 569 T HA 0.287 nan 4.350 nan 0.000 0.285 569 T C 0.529 175.364 174.700 0.225 0.000 1.019 569 T CA -1.713 60.488 62.100 0.170 0.000 1.013 569 T CB 2.442 71.401 68.868 0.151 0.000 1.117 569 T HN -0.583 7.706 8.240 0.176 0.057 0.533 570 A N 0.596 123.509 122.820 0.154 0.000 2.030 570 A HA 0.003 nan 4.320 nan 0.000 0.215 570 A C 0.957 178.604 177.584 0.104 0.000 1.164 570 A CA 2.473 54.585 52.037 0.124 0.000 0.697 570 A CB -0.279 18.775 19.000 0.091 0.000 0.827 570 A HN 0.547 8.774 8.150 0.129 0.000 0.457 571 T N -7.617 107.007 114.554 0.116 0.000 3.054 571 T HA -0.034 nan 4.350 nan 0.000 0.259 571 T C 1.543 176.312 174.700 0.114 0.000 1.092 571 T CA -0.041 62.123 62.100 0.106 0.000 1.121 571 T CB 0.047 68.981 68.868 0.112 0.000 0.912 571 T HN -0.061 8.254 8.240 0.126 0.000 0.489 572 G N 2.539 111.438 108.800 0.166 0.000 2.192 572 G HA2 -0.275 nan 3.960 nan 0.000 0.193 572 G HA3 -0.275 nan 3.960 nan 0.000 0.193 572 G C -0.421 174.588 174.900 0.183 0.000 0.999 572 G CA -0.379 44.844 45.100 0.204 0.000 0.659 572 G HN -0.327 8.083 8.290 0.201 0.000 0.503 573 R N -0.271 120.322 120.500 0.154 0.000 2.707 573 R HA -0.038 nan 4.340 nan 0.000 0.270 573 R C -0.588 175.778 176.300 0.110 0.000 1.083 573 R CA -0.044 56.130 56.100 0.123 0.000 1.182 573 R CB 0.677 31.052 30.300 0.125 0.000 1.084 573 R HN -0.918 7.389 8.270 0.153 0.054 0.528 574 L N 0.479 121.750 121.223 0.081 0.000 2.281 574 L HA 0.245 nan 4.340 nan 0.000 0.285 574 L C -0.388 176.541 176.870 0.098 0.000 1.074 574 L CA -0.479 54.402 54.840 0.068 0.000 0.817 574 L CB -0.021 42.050 42.059 0.021 0.000 1.168 574 L HN 0.222 8.497 8.230 0.074 0.000 0.434 575 S N 4.318 120.080 115.700 0.103 0.000 2.578 575 S HA 0.323 nan 4.470 nan 0.000 0.283 575 S C -0.560 174.136 174.600 0.160 0.000 1.195 575 S CA -0.784 57.483 58.200 0.110 0.000 1.050 575 S CB 1.943 65.189 63.200 0.078 0.000 1.012 575 S HN 0.233 8.592 8.310 0.083 0.000 0.511 576 S N 1.502 117.290 115.700 0.147 0.000 2.568 576 S HA 0.724 nan 4.470 nan 0.000 0.302 576 S C -1.298 173.324 174.600 0.036 0.000 1.082 576 S CA -1.338 56.935 58.200 0.122 0.000 1.009 576 S CB 2.183 65.493 63.200 0.182 0.000 1.069 576 S HN 0.346 8.727 8.310 0.119 0.000 0.500 577 S N 0.759 116.435 115.700 -0.041 0.000 2.546 577 S HA 0.248 nan 4.470 nan 0.000 0.274 577 S C -1.965 172.598 174.600 -0.062 0.000 1.121 577 S CA -0.151 58.029 58.200 -0.034 0.000 0.887 577 S CB 1.600 64.782 63.200 -0.031 0.000 1.094 577 S HN 0.646 8.883 8.310 -0.122 0.000 0.474 578 D N 1.134 121.505 120.400 -0.047 0.000 2.812 578 D HA -0.215 nan 4.640 nan 0.000 0.237 578 D C -2.318 173.977 176.300 -0.008 0.000 1.162 578 D CA 0.519 54.486 54.000 -0.055 0.000 0.740 578 D CB -1.649 39.099 40.800 -0.087 0.000 1.000 578 D HN 0.298 8.642 8.370 -0.045 0.000 0.416 579 P HA 0.109 nan 4.420 nan 0.000 0.287 579 P C -1.956 175.419 177.300 0.126 0.000 1.296 579 P CA -1.490 61.669 63.100 0.099 0.000 0.811 579 P CB 1.153 33.028 31.700 0.291 0.000 1.211 580 N N -1.174 117.629 118.700 0.171 0.000 2.500 580 N HA 0.045 nan 4.740 nan 0.000 0.236 580 N C 1.425 177.113 175.510 0.297 0.000 1.022 580 N CA -1.499 51.659 53.050 0.179 0.000 0.935 580 N CB -0.790 37.780 38.487 0.138 0.000 1.147 580 N HN 0.067 8.531 8.380 0.139 0.000 0.512 581 L N 4.788 126.136 121.223 0.209 0.000 2.141 581 L HA -0.341 nan 4.340 nan 0.000 0.209 581 L C 1.639 178.537 176.870 0.046 0.000 1.094 581 L CA 2.832 57.770 54.840 0.163 0.000 0.763 581 L CB -0.162 42.001 42.059 0.173 0.000 0.908 581 L HN -0.147 8.181 8.230 0.164 0.000 0.437 582 Q N -1.396 118.414 119.800 0.018 0.000 2.197 582 Q HA -0.375 nan 4.340 nan 0.000 0.207 582 Q C 1.582 177.623 176.000 0.068 0.000 0.984 582 Q CA 2.954 58.701 55.803 -0.093 0.000 0.869 582 Q CB -0.644 28.090 28.738 -0.007 0.000 0.906 582 Q HN -0.085 8.280 8.270 0.068 -0.055 0.426 583 N N -3.017 115.772 118.700 0.149 0.000 2.322 583 N HA -0.033 nan 4.740 nan 0.000 0.194 583 N C -0.148 175.410 175.510 0.081 0.000 1.126 583 N CA 0.126 53.286 53.050 0.184 0.000 0.845 583 N CB 0.713 39.346 38.487 0.243 0.000 0.976 583 N HN -0.780 7.714 8.380 0.192 0.002 0.475 584 I N 3.622 124.114 120.570 -0.129 0.000 2.517 584 I HA -0.044 nan 4.170 nan 0.000 0.285 584 I C -1.729 174.283 176.117 -0.174 0.000 1.106 584 I CA -1.602 59.447 61.300 -0.418 0.000 1.402 584 I CB -0.213 37.486 38.000 -0.501 0.000 1.399 584 I HN -0.469 7.541 8.210 -0.074 0.156 0.535 585 P HA -0.068 nan 4.420 nan 0.000 0.264 585 P C -1.543 175.690 177.300 -0.112 0.000 1.193 585 P CA -0.076 62.979 63.100 -0.075 0.000 0.763 585 P CB 0.136 31.805 31.700 -0.052 0.000 0.810 586 V N 1.111 120.972 119.914 -0.088 0.000 2.785 586 V HA 0.028 nan 4.120 nan 0.000 0.300 586 V C 0.840 176.868 176.094 -0.110 0.000 1.062 586 V CA -0.314 61.916 62.300 -0.117 0.000 1.029 586 V CB 0.281 32.038 31.823 -0.110 0.000 1.024 586 V HN 0.071 8.226 8.190 -0.058 0.000 0.477 587 R N -1.999 118.431 120.500 -0.117 0.000 3.995 587 R HA -0.287 nan 4.340 nan 0.000 0.445 587 R C -0.870 175.383 176.300 -0.077 0.000 0.997 587 R CA 1.467 57.511 56.100 -0.095 0.000 1.513 587 R CB -1.793 28.452 30.300 -0.092 0.000 2.145 587 R HN 0.429 8.617 8.270 -0.136 0.000 0.533 588 T N -4.254 110.255 114.554 -0.076 0.000 2.882 588 T HA 0.403 nan 4.350 nan 0.000 0.287 588 T C -0.687 173.982 174.700 -0.053 0.000 0.992 588 T CA -3.291 58.776 62.100 -0.055 0.000 1.076 588 T CB 1.278 70.119 68.868 -0.045 0.000 0.961 588 T HN -0.751 7.334 8.240 -0.088 0.102 0.490 589 P HA -0.249 nan 4.420 nan 0.000 0.216 589 P C 1.336 178.627 177.300 -0.016 0.000 1.157 589 P CA 2.814 65.900 63.100 -0.023 0.000 0.880 589 P CB -0.084 31.609 31.700 -0.010 0.000 0.791 590 L N -3.356 117.859 121.223 -0.015 0.000 2.046 590 L HA -0.232 nan 4.340 nan 0.000 0.208 590 L C 2.363 179.215 176.870 -0.029 0.000 1.077 590 L CA 2.927 57.764 54.840 -0.006 0.000 0.747 590 L CB -0.964 41.092 42.059 -0.004 0.000 0.896 590 L HN -0.049 8.171 8.230 -0.017 0.000 0.432 591 G N -1.903 106.856 108.800 -0.068 0.000 2.421 591 G HA2 -0.422 nan 3.960 nan 0.000 0.216 591 G HA3 -0.422 nan 3.960 nan 0.000 0.216 591 G C 1.100 175.910 174.900 -0.149 0.000 1.171 591 G CA 1.915 46.937 45.100 -0.130 0.000 0.775 591 G HN 0.111 8.297 8.290 -0.062 0.066 0.543 592 Q N 2.349 122.076 119.800 -0.120 0.000 2.061 592 Q HA -0.436 nan 4.340 nan 0.000 0.204 592 Q C 2.775 178.741 176.000 -0.056 0.000 0.984 592 Q CA 3.414 59.142 55.803 -0.125 0.000 0.846 592 Q CB -0.123 28.561 28.738 -0.090 0.000 0.902 592 Q HN 0.180 8.390 8.270 -0.099 0.000 0.421 593 R N -0.891 119.623 120.500 0.022 0.000 2.105 593 R HA -0.300 nan 4.340 nan 0.000 0.239 593 R C 2.503 178.943 176.300 0.233 0.000 1.135 593 R CA 3.147 59.342 56.100 0.160 0.000 0.967 593 R CB -0.432 29.971 30.300 0.170 0.000 0.861 593 R HN 0.080 8.355 8.270 0.008 0.000 0.442 594 I N -1.374 119.269 120.570 0.122 0.000 2.133 594 I HA -0.477 nan 4.170 nan 0.000 0.238 594 I C 2.058 178.307 176.117 0.219 0.000 1.074 594 I CA 3.589 64.988 61.300 0.166 0.000 1.342 594 I CB -0.116 37.896 38.000 0.021 0.000 1.053 594 I HN -0.067 8.105 8.210 0.048 0.067 0.404 595 R N -0.845 119.653 120.500 -0.003 0.000 2.103 595 R HA -0.447 nan 4.340 nan 0.000 0.242 595 R C 2.236 178.705 176.300 0.282 0.000 1.142 595 R CA 3.591 59.673 56.100 -0.030 0.000 0.960 595 R CB -0.516 29.365 30.300 -0.699 0.000 0.858 595 R HN 0.002 8.193 8.270 -0.131 0.000 0.439 596 R N -0.153 120.392 120.500 0.076 0.000 2.226 596 R HA -0.307 nan 4.340 nan 0.000 0.246 596 R C 1.116 177.376 176.300 -0.067 0.000 1.161 596 R CA 2.349 58.405 56.100 -0.074 0.000 0.997 596 R CB -0.966 29.123 30.300 -0.353 0.000 0.870 596 R HN -0.295 7.974 8.270 -0.006 -0.002 0.465 597 A N -2.827 120.107 122.820 0.189 0.000 2.015 597 A HA -0.093 nan 4.320 nan 0.000 0.219 597 A C 0.006 177.663 177.584 0.122 0.000 1.163 597 A CA 1.663 53.819 52.037 0.197 0.000 0.646 597 A CB 0.466 nan 19.000 nan 0.000 0.806 597 A HN -0.187 8.007 8.150 0.344 0.163 0.448 598 F N -1.429 118.617 119.950 0.160 0.000 2.445 598 F HA 0.426 nan 4.527 nan 0.000 0.359 598 F C -1.199 174.641 175.800 0.066 0.000 1.101 598 F CA -0.059 58.008 58.000 0.113 0.000 1.177 598 F CB -0.542 38.543 39.000 0.140 0.000 1.110 598 F HN -0.148 8.533 8.300 0.877 0.145 0.522 599 I N -2.518 118.120 120.570 0.114 0.000 2.934 599 I HA 0.972 nan 4.170 nan 0.000 0.306 599 I C -1.958 174.173 176.117 0.024 0.000 1.110 599 I CA -2.780 58.562 61.300 0.070 0.000 1.019 599 I CB 4.196 42.216 38.000 0.034 0.000 1.227 599 I HN 0.672 8.904 8.210 0.037 0.000 0.434 600 A N 0.332 123.176 122.820 0.040 0.000 2.313 600 A HA 0.155 nan 4.320 nan 0.000 0.261 600 A C -0.573 177.001 177.584 -0.016 0.000 1.090 600 A CA -1.572 50.483 52.037 0.030 0.000 0.807 600 A CB 0.817 19.897 19.000 0.133 0.000 1.055 600 A HN -0.009 8.179 8.150 0.063 0.000 0.492 601 E N 0.958 121.076 120.200 -0.136 0.000 1.858 601 E HA -0.228 nan 4.350 nan 0.000 0.278 601 E C 0.113 176.725 176.600 0.019 0.000 1.172 601 E CA -0.175 56.085 56.400 -0.232 0.000 1.127 601 E CB -0.964 28.311 29.700 -0.708 0.000 1.084 601 E HN 0.241 8.611 8.360 -0.202 -0.131 0.455 602 E N 4.974 125.212 120.200 0.063 0.000 3.679 602 E HA -0.441 nan 4.350 nan 0.000 0.309 602 E C -0.299 176.411 176.600 0.183 0.000 1.318 602 E CA 2.042 58.507 56.400 0.110 0.000 1.822 602 E CB -1.427 28.331 29.700 0.097 0.000 1.689 602 E HN 0.057 8.391 8.360 0.027 0.043 0.355 603 G N -2.848 106.120 108.800 0.281 0.000 3.424 603 G HA2 0.114 nan 3.960 nan 0.000 0.263 603 G HA3 0.114 nan 3.960 nan 0.000 0.263 603 G C -1.714 173.322 174.900 0.226 0.000 1.310 603 G CA -0.250 44.976 45.100 0.210 0.000 1.089 603 G HN -0.280 8.216 8.290 0.342 0.000 0.534 604 W N -2.487 118.813 121.300 -0.001 0.000 2.850 604 W HA 0.770 nan 4.660 nan 0.000 0.349 604 W C -1.217 175.303 176.519 0.000 0.000 1.133 604 W CA -2.195 55.148 57.345 -0.002 0.000 1.117 604 W CB 3.052 32.510 29.460 -0.004 0.000 1.442 604 W HN -0.969 7.356 8.180 0.416 0.104 0.575 605 L N -2.215 119.155 121.223 0.244 0.000 2.350 605 L HA 0.808 nan 4.340 nan 0.000 0.260 605 L C -1.669 175.291 176.870 0.150 0.000 1.015 605 L CA -1.512 53.415 54.840 0.145 0.000 0.821 605 L CB 4.088 46.193 42.059 0.076 0.000 1.370 605 L HN 0.876 9.258 8.230 0.253 0.000 0.416 606 L N 0.338 121.624 121.223 0.105 0.000 2.309 606 L HA 0.606 nan 4.340 nan 0.000 0.282 606 L C -1.217 175.690 176.870 0.063 0.000 1.036 606 L CA -0.701 54.184 54.840 0.076 0.000 0.806 606 L CB 1.518 43.611 42.059 0.057 0.000 1.220 606 L HN 0.986 9.160 8.230 0.097 0.114 0.429 607 V N 2.388 122.328 119.914 0.043 0.000 2.349 607 V HA 0.551 nan 4.120 nan 0.000 0.284 607 V C -1.479 174.630 176.094 0.025 0.000 1.014 607 V CA -1.735 60.586 62.300 0.034 0.000 0.826 607 V CB 0.409 32.246 31.823 0.022 0.000 1.009 607 V HN 1.142 9.236 8.190 0.035 0.117 0.431 608 A N 8.237 131.090 122.820 0.056 0.000 2.260 608 A HA 0.916 nan 4.320 nan 0.000 0.308 608 A C -2.282 175.326 177.584 0.040 0.000 1.254 608 A CA -1.737 50.347 52.037 0.079 0.000 0.874 608 A CB 1.291 20.412 19.000 0.202 0.000 1.153 608 A HN 1.070 9.258 8.150 0.063 0.000 0.527 609 L N 4.894 126.116 121.223 -0.001 0.000 2.298 609 L HA 0.587 nan 4.340 nan 0.000 0.284 609 L C -1.856 174.967 176.870 -0.079 0.000 1.013 609 L CA -0.128 54.677 54.840 -0.058 0.000 0.824 609 L CB 1.269 43.263 42.059 -0.108 0.000 1.221 609 L HN 0.845 9.075 8.230 -0.001 0.000 0.418 610 D N 3.582 123.947 120.400 -0.058 0.000 2.256 610 D HA 0.431 nan 4.640 nan 0.000 0.246 610 D C -1.655 174.624 176.300 -0.036 0.000 1.042 610 D CA -1.456 52.534 54.000 -0.017 0.000 0.841 610 D CB 4.210 45.035 40.800 0.041 0.000 1.223 610 D HN 0.748 8.985 8.370 -0.043 0.107 0.470 611 Y N 3.262 123.581 120.300 0.031 0.000 2.436 611 Y HA 0.119 nan 4.550 nan 0.000 0.343 611 Y C 0.063 175.962 175.900 -0.001 0.000 1.008 611 Y CA -0.317 57.789 58.100 0.011 0.000 1.241 611 Y CB 0.156 38.626 38.460 0.015 0.000 1.153 611 Y HN 0.417 8.791 8.280 0.156 0.000 0.521 612 S N 6.821 122.616 115.700 0.157 0.000 2.455 612 S HA -0.019 nan 4.470 nan 0.000 0.278 612 S C -0.350 174.250 174.600 -0.000 0.000 1.216 612 S CA 0.391 58.633 58.200 0.069 0.000 1.055 612 S CB 0.084 63.310 63.200 0.044 0.000 0.939 612 S HN 0.715 9.127 8.310 0.170 0.000 0.494 613 Q N 3.196 123.013 119.800 0.028 0.000 2.411 613 Q HA -0.441 nan 4.340 nan 0.000 0.305 613 Q C 0.270 176.215 176.000 -0.092 0.000 1.273 613 Q CA 0.972 56.779 55.803 0.006 0.000 0.895 613 Q CB -2.474 26.296 28.738 0.052 0.000 1.198 613 Q HN 0.920 9.230 8.270 0.067 0.000 0.470 614 I N -1.474 119.059 120.570 -0.063 0.000 2.399 614 I HA -0.557 nan 4.170 nan 0.000 0.254 614 I C 0.592 176.647 176.117 -0.103 0.000 1.146 614 I CA 3.409 64.620 61.300 -0.148 0.000 1.412 614 I CB 0.058 37.920 38.000 -0.230 0.000 1.076 614 I HN -0.448 7.751 8.210 0.011 0.017 0.432 615 E N -0.665 119.524 120.200 -0.019 0.000 2.107 615 E HA -0.303 nan 4.350 nan 0.000 0.191 615 E C 2.400 179.006 176.600 0.010 0.000 0.982 615 E CA 3.574 59.985 56.400 0.018 0.000 0.809 615 E CB -0.613 29.137 29.700 0.084 0.000 0.756 615 E HN 0.218 8.553 8.360 0.012 0.032 0.459 616 L N -0.930 120.318 121.223 0.042 0.000 2.044 616 L HA -0.276 nan 4.340 nan 0.000 0.205 616 L C 1.785 178.726 176.870 0.119 0.000 1.075 616 L CA 3.102 58.014 54.840 0.119 0.000 0.747 616 L CB -0.240 41.996 42.059 0.296 0.000 0.903 616 L HN -0.386 7.781 8.230 0.043 0.089 0.435 617 R N -1.794 118.653 120.500 -0.088 0.000 2.120 617 R HA -0.301 nan 4.340 nan 0.000 0.234 617 R C 2.476 178.760 176.300 -0.027 0.000 1.123 617 R CA 2.745 58.764 56.100 -0.135 0.000 0.975 617 R CB -1.260 28.796 30.300 -0.406 0.000 0.866 617 R HN -0.212 7.930 8.270 -0.214 0.000 0.446 618 V N 1.409 121.288 119.914 -0.057 0.000 2.343 618 V HA -0.292 nan 4.120 nan 0.000 0.247 618 V C 1.727 177.781 176.094 -0.066 0.000 1.051 618 V CA 4.607 66.888 62.300 -0.032 0.000 1.036 618 V CB -0.884 30.918 31.823 -0.036 0.000 0.654 618 V HN -0.052 8.085 8.190 -0.087 0.000 0.451 619 L N -0.612 120.537 121.223 -0.125 0.000 1.994 619 L HA -0.476 nan 4.340 nan 0.000 0.208 619 L C 1.596 178.336 176.870 -0.216 0.000 1.071 619 L CA 3.505 58.173 54.840 -0.288 0.000 0.745 619 L CB -0.609 41.310 42.059 -0.234 0.000 0.892 619 L HN 0.007 8.020 8.230 -0.083 0.167 0.431 620 A N -2.024 120.767 122.820 -0.047 0.000 1.917 620 A HA -0.465 nan 4.320 nan 0.000 0.219 620 A C 2.019 179.608 177.584 0.009 0.000 1.182 620 A CA 3.207 55.254 52.037 0.016 0.000 0.633 620 A CB -1.010 18.091 19.000 0.169 0.000 0.819 620 A HN 0.530 8.578 8.150 0.010 0.108 0.448 621 H N -0.154 118.881 119.070 -0.059 0.000 2.307 621 H HA -0.228 nan 4.556 nan 0.000 0.303 621 H C 1.617 176.897 175.328 -0.079 0.000 1.073 621 H CA 3.217 59.234 56.048 -0.051 0.000 1.338 621 H CB 0.245 29.986 29.762 -0.035 0.000 1.389 621 H HN -0.313 8.051 8.280 0.140 0.000 0.503 622 L N -2.950 118.208 121.223 -0.108 0.000 2.042 622 L HA -0.290 nan 4.340 nan 0.000 0.210 622 L C 1.652 178.407 176.870 -0.192 0.000 1.076 622 L CA 2.471 57.217 54.840 -0.158 0.000 0.749 622 L CB 0.413 42.318 42.059 -0.256 0.000 0.893 622 L HN 0.138 8.239 8.230 -0.034 0.109 0.432 623 S N -4.701 110.789 115.700 -0.350 0.000 2.439 623 S HA -0.093 nan 4.470 nan 0.000 0.224 623 S C 1.461 176.028 174.600 -0.055 0.000 1.029 623 S CA 1.176 59.297 58.200 -0.133 0.000 0.946 623 S CB 1.782 64.858 63.200 -0.207 0.000 0.797 623 S HN 0.176 8.232 8.310 -0.425 0.000 0.504 624 G N 1.242 109.979 108.800 -0.105 0.000 2.153 624 G HA2 -0.458 nan 3.960 nan 0.000 0.252 624 G HA3 -0.458 nan 3.960 nan 0.000 0.252 624 G C -1.361 173.528 174.900 -0.018 0.000 0.994 624 G CA 0.225 45.281 45.100 -0.074 0.000 0.698 624 G HN -0.143 7.966 8.290 -0.143 0.096 0.521 625 D N 1.868 122.270 120.400 0.004 0.000 2.426 625 D HA -0.189 nan 4.640 nan 0.000 0.271 625 D C 1.127 177.476 176.300 0.083 0.000 1.376 625 D CA -0.038 53.996 54.000 0.056 0.000 1.149 625 D CB -0.035 40.832 40.800 0.112 0.000 1.118 625 D HN -0.765 7.543 8.370 -0.023 0.048 0.529 626 E N 5.427 125.649 120.200 0.038 0.000 2.354 626 E HA -0.559 nan 4.350 nan 0.000 0.214 626 E C 1.404 178.038 176.600 0.058 0.000 1.072 626 E CA 3.211 59.629 56.400 0.030 0.000 0.855 626 E CB -1.152 28.541 29.700 -0.012 0.000 0.742 626 E HN 0.374 8.714 8.360 0.015 0.028 0.475 627 N N 0.327 119.080 118.700 0.087 0.000 2.148 627 N HA -0.183 nan 4.740 nan 0.000 0.186 627 N C 2.008 177.776 175.510 0.430 0.000 1.031 627 N CA 2.694 55.826 53.050 0.136 0.000 0.848 627 N CB -0.205 38.205 38.487 -0.128 0.000 1.005 627 N HN -0.912 7.593 8.380 0.088 -0.072 0.427 628 L N 0.475 122.030 121.223 0.553 0.000 2.013 628 L HA -0.335 nan 4.340 nan 0.000 0.212 628 L C 1.312 178.240 176.870 0.096 0.000 1.073 628 L CA 3.329 58.310 54.840 0.235 0.000 0.753 628 L CB -0.382 41.630 42.059 -0.079 0.000 0.890 628 L HN -0.220 8.697 8.230 0.617 -0.317 0.432 629 I N -2.667 117.987 120.570 0.139 0.000 2.163 629 I HA -0.657 nan 4.170 nan 0.000 0.243 629 I C 1.691 177.890 176.117 0.138 0.000 1.085 629 I CA 3.945 65.331 61.300 0.143 0.000 1.347 629 I CB -0.460 37.601 38.000 0.101 0.000 1.044 629 I HN -0.503 7.788 8.210 0.147 0.008 0.408 630 R N 0.015 120.593 120.500 0.131 0.000 2.094 630 R HA -0.408 nan 4.340 nan 0.000 0.239 630 R C 2.089 178.463 176.300 0.123 0.000 1.137 630 R CA 3.953 60.130 56.100 0.128 0.000 0.943 630 R CB -0.204 30.184 30.300 0.146 0.000 0.850 630 R HN -0.320 7.848 8.270 0.134 0.183 0.433 631 V N -0.637 119.336 119.914 0.098 0.000 2.255 631 V HA -0.431 nan 4.120 nan 0.000 0.247 631 V C 2.290 178.355 176.094 -0.048 0.000 1.051 631 V CA 4.189 66.458 62.300 -0.052 0.000 1.018 631 V CB -1.076 30.579 31.823 -0.281 0.000 0.641 631 V HN -0.198 8.095 8.190 0.170 0.000 0.445 632 F N -2.115 117.859 119.950 0.041 0.000 2.234 632 F HA -0.298 nan 4.527 nan 0.000 0.299 632 F C 2.050 177.868 175.800 0.030 0.000 1.087 632 F CA 1.976 59.988 58.000 0.020 0.000 1.340 632 F CB -0.703 38.304 39.000 0.012 0.000 1.031 632 F HN -0.654 7.567 8.300 -0.132 0.000 0.500 633 Q N -2.230 117.697 119.800 0.211 0.000 2.046 633 Q HA -0.255 nan 4.340 nan 0.000 0.200 633 Q C 2.154 178.216 176.000 0.103 0.000 0.975 633 Q CA 2.156 58.040 55.803 0.135 0.000 0.836 633 Q CB 0.043 28.845 28.738 0.107 0.000 0.896 633 Q HN -0.176 8.216 8.270 0.205 0.000 0.428 634 E N -2.643 117.612 120.200 0.092 0.000 2.265 634 E HA -0.162 nan 4.350 nan 0.000 0.196 634 E C 0.634 177.275 176.600 0.068 0.000 0.996 634 E CA 0.408 56.850 56.400 0.070 0.000 0.832 634 E CB 0.510 30.248 29.700 0.064 0.000 0.756 634 E HN 0.147 8.454 8.360 0.096 0.111 0.491 635 G N -1.063 107.792 108.800 0.093 0.000 2.248 635 G HA2 -0.397 nan 3.960 nan 0.000 0.252 635 G HA3 -0.397 nan 3.960 nan 0.000 0.252 635 G C -1.089 173.854 174.900 0.072 0.000 1.085 635 G CA 0.040 45.199 45.100 0.098 0.000 0.845 635 G HN -0.255 7.989 8.290 0.112 0.113 0.494 636 R N -2.101 118.427 120.500 0.047 0.000 2.873 636 R HA 0.320 nan 4.340 nan 0.000 0.264 636 R C -1.051 175.227 176.300 -0.035 0.000 1.026 636 R CA -2.444 53.653 56.100 -0.005 0.000 1.002 636 R CB 1.811 32.084 30.300 -0.046 0.000 1.174 636 R HN -0.237 8.063 8.270 0.049 0.000 0.488 637 D N 1.313 121.687 120.400 -0.043 0.000 2.422 637 D HA -0.059 nan 4.640 nan 0.000 0.263 637 D C 0.867 177.063 176.300 -0.173 0.000 1.334 637 D CA -0.183 53.789 54.000 -0.047 0.000 1.105 637 D CB -0.843 39.957 40.800 -0.001 0.000 1.107 637 D HN 0.365 8.716 8.370 -0.033 0.000 0.522 638 I N 6.041 126.431 120.570 -0.301 0.000 2.285 638 I HA -0.600 nan 4.170 nan 0.000 0.253 638 I C 0.314 176.179 176.117 -0.420 0.000 1.104 638 I CA 2.473 63.479 61.300 -0.491 0.000 1.372 638 I CB 0.147 37.713 38.000 -0.724 0.000 1.057 638 I HN -0.054 8.004 8.210 -0.218 0.022 0.431 639 H N -1.698 117.326 119.070 -0.076 0.000 2.299 639 H HA -0.271 nan 4.556 nan 0.000 0.302 639 H C 2.344 177.631 175.328 -0.068 0.000 1.078 639 H CA 4.691 60.718 56.048 -0.036 0.000 1.323 639 H CB -0.521 29.239 29.762 -0.003 0.000 1.381 639 H HN -0.378 7.766 8.280 -0.428 -0.121 0.498 640 T N 2.832 117.394 114.554 0.014 0.000 2.665 640 T HA -0.398 nan 4.350 nan 0.000 0.268 640 T C 2.232 176.824 174.700 -0.180 0.000 1.035 640 T CA 4.915 66.985 62.100 -0.050 0.000 1.151 640 T CB -0.709 68.130 68.868 -0.048 0.000 0.862 640 T HN -0.158 8.434 8.240 0.045 -0.325 0.438 641 E N 0.366 120.380 120.200 -0.310 0.000 2.031 641 E HA -0.314 nan 4.350 nan 0.000 0.193 641 E C 2.316 178.469 176.600 -0.746 0.000 0.994 641 E CA 3.071 59.089 56.400 -0.637 0.000 0.800 641 E CB -0.613 28.637 29.700 -0.750 0.000 0.752 641 E HN 0.045 8.248 8.360 -0.255 0.004 0.447 642 T N 1.371 115.689 114.554 -0.393 0.000 2.737 642 T HA -0.287 nan 4.350 nan 0.000 0.269 642 T C 1.640 176.294 174.700 -0.078 0.000 1.040 642 T CA 4.175 66.209 62.100 -0.110 0.000 1.142 642 T CB -0.477 68.494 68.868 0.171 0.000 0.861 642 T HN 0.211 8.163 8.240 -0.296 0.110 0.456 643 A N 0.638 123.436 122.820 -0.037 0.000 1.851 643 A HA -0.319 nan 4.320 nan 0.000 0.216 643 A C 1.622 179.249 177.584 0.072 0.000 1.195 643 A CA 2.786 54.889 52.037 0.109 0.000 0.622 643 A CB -0.462 18.608 19.000 0.118 0.000 0.831 643 A HN 0.021 8.147 8.150 -0.041 -0.001 0.444 644 S N -0.104 115.550 115.700 -0.075 0.000 2.377 644 S HA -0.423 nan 4.470 nan 0.000 0.224 644 S C 2.020 176.659 174.600 0.066 0.000 1.042 644 S CA 3.441 61.619 58.200 -0.037 0.000 1.086 644 S CB 0.024 63.132 63.200 -0.152 0.000 0.995 644 S HN -0.462 7.756 8.310 -0.153 0.000 0.428 645 W N -3.962 117.268 121.300 -0.118 0.000 2.632 645 W HA -0.176 nan 4.660 nan 0.000 0.248 645 W C 0.468 176.830 176.519 -0.262 0.000 1.259 645 W CA 0.477 57.702 57.345 -0.201 0.000 1.288 645 W CB -0.962 28.321 29.460 -0.296 0.000 1.136 645 W HN -0.507 7.439 8.180 -0.391 0.000 0.640 646 M N -4.332 115.181 119.600 -0.144 0.000 2.730 646 M HA 0.002 nan 4.480 nan 0.000 0.258 646 M C 0.720 176.551 176.300 -0.781 0.000 1.279 646 M CA 2.932 57.911 55.300 -0.536 0.000 1.183 646 M CB 2.123 34.222 32.600 -0.834 0.000 1.291 646 M HN -0.492 7.518 8.290 -0.103 0.218 0.518 647 F N -2.429 117.474 119.950 -0.078 0.000 2.668 647 F HA 0.209 nan 4.527 nan 0.000 0.301 647 F C 0.948 176.736 175.800 -0.021 0.000 1.106 647 F CA -0.949 57.010 58.000 -0.069 0.000 1.289 647 F CB -0.371 38.573 39.000 -0.092 0.000 1.006 647 F HN 0.288 8.511 8.300 -0.129 0.000 0.535 648 G N 0.867 109.716 108.800 0.081 0.000 2.424 648 G HA2 -0.423 nan 3.960 nan 0.000 0.294 648 G HA3 -0.423 nan 3.960 nan 0.000 0.294 648 G C -1.232 173.722 174.900 0.089 0.000 0.939 648 G CA 0.770 45.918 45.100 0.080 0.000 1.143 648 G HN -0.098 8.134 8.290 0.022 0.072 0.507 649 V N -4.345 115.628 119.914 0.099 0.000 2.962 649 V HA 0.420 nan 4.120 nan 0.000 0.313 649 V C -2.638 173.491 176.094 0.058 0.000 1.099 649 V CA -3.817 58.526 62.300 0.071 0.000 0.971 649 V CB 1.604 33.465 31.823 0.063 0.000 1.028 649 V HN -0.827 7.430 8.190 0.111 0.000 0.430 650 P HA 0.178 nan 4.420 nan 0.000 0.269 650 P C 0.817 178.124 177.300 0.011 0.000 1.217 650 P CA -0.356 62.764 63.100 0.033 0.000 0.783 650 P CB 0.812 32.527 31.700 0.024 0.000 0.898 651 R N 2.378 122.876 120.500 -0.004 0.000 2.096 651 R HA -0.389 nan 4.340 nan 0.000 0.240 651 R C 0.833 177.122 176.300 -0.018 0.000 1.139 651 R CA 3.313 59.393 56.100 -0.033 0.000 0.952 651 R CB -0.927 29.346 30.300 -0.044 0.000 0.854 651 R HN 0.441 8.715 8.270 0.007 0.000 0.436 652 E N -0.726 119.470 120.200 -0.007 0.000 2.533 652 E HA -0.145 nan 4.350 nan 0.000 0.201 652 E C -0.312 176.286 176.600 -0.003 0.000 1.097 652 E CA 1.280 57.678 56.400 -0.004 0.000 0.887 652 E CB -1.542 28.158 29.700 0.000 0.000 0.855 652 E HN 0.242 8.600 8.360 -0.002 0.001 0.540 653 A N -0.968 121.851 122.820 -0.002 0.000 2.192 653 A HA 0.073 nan 4.320 nan 0.000 0.208 653 A C -0.147 177.431 177.584 -0.011 0.000 1.220 653 A CA 0.121 52.157 52.037 -0.002 0.000 0.900 653 A CB 1.398 20.402 19.000 0.008 0.000 0.937 653 A HN 0.011 7.950 8.150 -0.001 0.211 0.487 654 V N -1.777 118.131 119.914 -0.011 0.000 2.506 654 V HA -0.188 nan 4.120 nan 0.000 0.296 654 V C -0.253 175.818 176.094 -0.039 0.000 1.004 654 V CA -0.583 61.703 62.300 -0.022 0.000 1.150 654 V CB -1.525 30.291 31.823 -0.012 0.000 0.911 654 V HN -0.596 7.591 8.190 -0.006 0.000 0.476 655 D N 6.885 127.245 120.400 -0.066 0.000 2.348 655 D HA 0.359 nan 4.640 nan 0.000 0.249 655 D C -0.961 175.297 176.300 -0.069 0.000 1.110 655 D CA -2.718 51.243 54.000 -0.065 0.000 0.967 655 D CB -0.544 40.212 40.800 -0.074 0.000 1.139 655 D HN -0.496 7.820 8.370 -0.090 0.000 0.466 656 P HA -0.277 nan 4.420 nan 0.000 0.216 656 P C 1.847 179.113 177.300 -0.057 0.000 1.167 656 P CA 2.755 65.828 63.100 -0.046 0.000 0.914 656 P CB 0.080 31.758 31.700 -0.037 0.000 0.793 657 L N -3.721 117.460 121.223 -0.071 0.000 2.081 657 L HA -0.394 nan 4.340 nan 0.000 0.212 657 L C 1.956 178.758 176.870 -0.114 0.000 1.080 657 L CA 2.874 57.668 54.840 -0.076 0.000 0.754 657 L CB -0.266 41.743 42.059 -0.085 0.000 0.893 657 L HN -0.313 7.876 8.230 -0.069 0.000 0.433 658 M N -1.451 118.030 119.600 -0.199 0.000 2.059 658 M HA -0.506 nan 4.480 nan 0.000 0.259 658 M C 1.752 178.028 176.300 -0.041 0.000 1.072 658 M CA 4.302 59.422 55.300 -0.300 0.000 1.117 658 M CB -0.174 32.240 32.600 -0.309 0.000 1.320 658 M HN -0.055 8.432 8.290 -0.195 -0.313 0.408 659 R N -1.728 118.765 120.500 -0.013 0.000 2.120 659 R HA -0.400 nan 4.340 nan 0.000 0.234 659 R C 2.020 178.343 176.300 0.038 0.000 1.123 659 R CA 3.587 59.711 56.100 0.040 0.000 0.975 659 R CB -0.229 30.084 30.300 0.021 0.000 0.866 659 R HN -0.374 7.866 8.270 -0.051 0.000 0.446 660 R N -0.654 119.851 120.500 0.008 0.000 2.073 660 R HA -0.331 nan 4.340 nan 0.000 0.234 660 R C 1.898 178.233 176.300 0.058 0.000 1.134 660 R CA 3.448 59.551 56.100 0.005 0.000 0.952 660 R CB -0.173 30.123 30.300 -0.006 0.000 0.850 660 R HN 0.282 8.537 8.270 -0.012 0.008 0.433 661 A N -1.797 121.089 122.820 0.109 0.000 1.908 661 A HA -0.287 nan 4.320 nan 0.000 0.218 661 A C 1.836 179.535 177.584 0.192 0.000 1.181 661 A CA 3.033 55.197 52.037 0.213 0.000 0.627 661 A CB -0.953 18.275 19.000 0.380 0.000 0.818 661 A HN -0.098 8.098 8.150 0.077 0.000 0.445 662 A N -1.670 121.262 122.820 0.188 0.000 1.877 662 A HA -0.348 nan 4.320 nan 0.000 0.216 662 A C 1.928 179.633 177.584 0.202 0.000 1.186 662 A CA 3.263 55.419 52.037 0.200 0.000 0.620 662 A CB -0.882 18.241 19.000 0.205 0.000 0.822 662 A HN -0.050 8.215 8.150 0.192 0.000 0.443 663 K N -1.927 118.557 120.400 0.140 0.000 2.032 663 K HA -0.388 nan 4.320 nan 0.000 0.209 663 K C 2.215 178.859 176.600 0.074 0.000 1.048 663 K CA 3.783 60.084 56.287 0.024 0.000 0.927 663 K CB 0.061 32.383 32.500 -0.296 0.000 0.712 663 K HN 0.375 8.566 8.250 0.097 0.117 0.441 664 T N 2.360 116.956 114.554 0.070 0.000 2.652 664 T HA -0.278 nan 4.350 nan 0.000 0.267 664 T C 2.214 176.949 174.700 0.057 0.000 1.039 664 T CA 5.148 67.308 62.100 0.101 0.000 1.153 664 T CB -0.493 68.428 68.868 0.088 0.000 0.863 664 T HN 0.127 8.402 8.240 0.057 0.000 0.428 665 I N 1.317 121.888 120.570 0.001 0.000 2.127 665 I HA -0.696 nan 4.170 nan 0.000 0.241 665 I C 1.389 177.353 176.117 -0.255 0.000 1.075 665 I CA 4.611 65.800 61.300 -0.185 0.000 1.334 665 I CB -0.479 37.358 38.000 -0.272 0.000 1.040 665 I HN 0.310 8.552 8.210 0.053 0.000 0.405 666 N N -0.152 118.509 118.700 -0.065 0.000 2.060 666 N HA -0.378 nan 4.740 nan 0.000 0.195 666 N C 2.418 177.965 175.510 0.061 0.000 1.028 666 N CA 3.146 56.224 53.050 0.046 0.000 0.861 666 N CB -0.409 38.226 38.487 0.247 0.000 1.029 666 N HN 0.010 8.418 8.380 0.046 0.000 0.428 667 F N 0.618 120.529 119.950 -0.065 0.000 2.102 667 F HA -0.243 nan 4.527 nan 0.000 0.298 667 F C 1.380 176.954 175.800 -0.377 0.000 1.105 667 F CA 2.189 60.115 58.000 -0.124 0.000 1.239 667 F CB -0.051 38.915 39.000 -0.058 0.000 0.991 667 F HN 0.056 8.505 8.300 0.249 0.000 0.474 668 G N -0.878 107.611 108.800 -0.519 0.000 2.469 668 G HA2 -0.495 nan 3.960 nan 0.000 0.219 668 G HA3 -0.495 nan 3.960 nan 0.000 0.219 668 G C 1.077 175.602 174.900 -0.625 0.000 1.150 668 G CA 2.300 46.932 45.100 -0.780 0.000 0.763 668 G HN 0.098 8.281 8.290 -0.178 0.000 0.561 669 V N 1.978 121.680 119.914 -0.352 0.000 2.250 669 V HA -0.458 nan 4.120 nan 0.000 0.253 669 V C 1.874 177.939 176.094 -0.049 0.000 1.065 669 V CA 3.651 65.854 62.300 -0.161 0.000 1.039 669 V CB -0.947 30.829 31.823 -0.079 0.000 0.647 669 V HN 0.237 8.221 8.190 -0.344 0.000 0.446 670 L N -3.903 117.237 121.223 -0.138 0.000 2.051 670 L HA -0.279 nan 4.340 nan 0.000 0.214 670 L C 1.583 178.570 176.870 0.196 0.000 1.076 670 L CA 2.559 57.413 54.840 0.024 0.000 0.758 670 L CB -1.033 41.002 42.059 -0.040 0.000 0.890 670 L HN -0.197 7.899 8.230 -0.224 0.000 0.433 671 Y N -9.153 111.198 120.300 0.086 0.000 2.483 671 Y HA 0.141 nan 4.550 nan 0.000 0.258 671 Y C 0.122 176.069 175.900 0.078 0.000 1.083 671 Y CA -0.776 57.332 58.100 0.014 0.000 1.283 671 Y CB 1.829 40.218 38.460 -0.118 0.000 1.178 671 Y HN -0.633 7.189 8.280 -0.763 0.000 0.515 672 G N -0.898 108.146 108.800 0.407 0.000 3.957 672 G HA2 -0.205 nan 3.960 nan 0.000 0.131 672 G HA3 -0.205 nan 3.960 nan 0.000 0.131 672 G C -0.617 174.434 174.900 0.252 0.000 2.236 672 G CA 0.112 45.465 45.100 0.423 0.000 1.096 672 G HN -0.441 7.886 8.290 0.061 0.000 0.322 673 M N 0.575 120.344 119.600 0.281 0.000 2.841 673 M HA -0.391 nan 4.480 nan 0.000 0.166 673 M C -0.194 176.176 176.300 0.118 0.000 0.667 673 M CA 1.390 56.792 55.300 0.171 0.000 0.619 673 M CB -0.955 31.667 32.600 0.035 0.000 2.253 673 M HN 0.177 8.739 8.290 0.453 0.000 0.313 674 S N -3.290 112.497 115.700 0.146 0.000 4.149 674 S HA -0.533 nan 4.470 nan 0.000 0.536 674 S C 0.149 174.817 174.600 0.113 0.000 1.562 674 S CA 2.476 60.760 58.200 0.139 0.000 3.928 674 S CB -0.826 62.467 63.200 0.155 0.000 1.486 674 S HN 0.165 8.467 8.310 0.181 0.117 0.455 675 A N -1.374 121.508 122.820 0.103 0.000 3.091 675 A HA -0.107 nan 4.320 nan 0.000 0.187 675 A C -0.144 177.499 177.584 0.099 0.000 1.645 675 A CA 0.170 52.252 52.037 0.075 0.000 1.370 675 A CB -0.730 18.319 19.000 0.081 0.000 1.098 675 A HN -0.063 8.127 8.150 0.118 0.030 0.374 676 H N 1.605 120.691 119.070 0.027 0.000 2.293 676 H HA -0.352 nan 4.556 nan 0.000 0.300 676 H C 2.107 177.449 175.328 0.024 0.000 1.082 676 H CA 4.104 60.166 56.048 0.023 0.000 1.308 676 H CB 0.262 30.042 29.762 0.030 0.000 1.375 676 H HN 0.159 8.574 8.280 0.224 0.000 0.495 677 R N -1.509 118.926 120.500 -0.109 0.000 2.070 677 R HA -0.415 nan 4.340 nan 0.000 0.232 677 R C 2.151 178.411 176.300 -0.066 0.000 1.138 677 R CA 3.299 59.308 56.100 -0.151 0.000 0.936 677 R CB -0.244 30.040 30.300 -0.026 0.000 0.839 677 R HN -0.242 8.046 8.270 0.029 0.000 0.429 678 L N -0.891 120.324 121.223 -0.013 0.000 2.011 678 L HA -0.486 nan 4.340 nan 0.000 0.225 678 L C 1.454 178.303 176.870 -0.036 0.000 1.084 678 L CA 3.328 58.160 54.840 -0.012 0.000 0.791 678 L CB -0.452 41.598 42.059 -0.016 0.000 0.898 678 L HN -0.516 7.720 8.230 0.010 0.000 0.440 679 S N -1.708 113.961 115.700 -0.052 0.000 2.351 679 S HA -0.543 nan 4.470 nan 0.000 0.220 679 S C 2.268 176.830 174.600 -0.063 0.000 1.035 679 S CA 2.994 61.146 58.200 -0.080 0.000 1.031 679 S CB -0.648 62.524 63.200 -0.047 0.000 0.928 679 S HN -0.150 8.143 8.310 -0.029 0.000 0.433 680 Q N 1.481 121.244 119.800 -0.062 0.000 2.096 680 Q HA -0.288 nan 4.340 nan 0.000 0.208 680 Q C 2.510 178.485 176.000 -0.042 0.000 0.993 680 Q CA 2.673 58.435 55.803 -0.068 0.000 0.862 680 Q CB -0.136 28.505 28.738 -0.162 0.000 0.915 680 Q HN -0.533 7.694 8.270 -0.072 0.000 0.416 681 E N -2.026 118.155 120.200 -0.032 0.000 2.046 681 E HA -0.203 nan 4.350 nan 0.000 0.190 681 E C 1.993 178.593 176.600 0.001 0.000 0.982 681 E CA 2.135 58.536 56.400 0.002 0.000 0.800 681 E CB 0.251 29.973 29.700 0.037 0.000 0.756 681 E HN 0.119 8.338 8.360 -0.044 0.114 0.449 682 L N -2.719 118.496 121.223 -0.013 0.000 2.549 682 L HA -0.170 nan 4.340 nan 0.000 0.229 682 L C 0.544 177.389 176.870 -0.041 0.000 1.158 682 L CA 0.274 55.102 54.840 -0.019 0.000 0.842 682 L CB -0.995 41.041 42.059 -0.039 0.000 0.952 682 L HN 0.108 8.217 8.230 -0.020 0.109 0.452 683 A N -0.430 122.366 122.820 -0.040 0.000 1.265 683 A HA -0.501 nan 4.320 nan 0.000 0.291 683 A C 0.688 178.242 177.584 -0.050 0.000 1.196 683 A CA 2.689 54.706 52.037 -0.032 0.000 1.094 683 A CB -2.788 16.202 19.000 -0.016 0.000 1.471 683 A HN 0.307 8.333 8.150 -0.038 0.101 0.723 684 I N 0.856 121.386 120.570 -0.067 0.000 2.286 684 I HA -0.049 nan 4.170 nan 0.000 0.248 684 I C -1.753 174.221 176.117 -0.237 0.000 1.115 684 I CA 1.399 62.644 61.300 -0.093 0.000 1.392 684 I CB -0.448 37.511 38.000 -0.068 0.000 1.065 684 I HN -0.144 7.984 8.210 -0.057 0.049 0.418 685 P HA -0.128 nan 4.420 nan 0.000 0.258 685 P C -1.189 175.883 177.300 -0.379 0.000 1.214 685 P CA 0.270 63.034 63.100 -0.560 0.000 0.872 685 P CB -1.039 30.340 31.700 -0.536 0.000 0.890 686 Y N 2.774 123.020 120.300 -0.090 0.000 2.532 686 Y HA -0.165 nan 4.550 nan 0.000 0.337 686 Y C -0.312 175.555 175.900 -0.054 0.000 1.274 686 Y CA -2.132 55.937 58.100 -0.051 0.000 1.817 686 Y CB -1.784 36.659 38.460 -0.029 0.000 1.769 686 Y HN -0.126 7.379 8.280 -1.512 -0.133 0.447 687 E N -2.006 118.218 120.200 0.040 0.000 3.253 687 E HA -0.516 nan 4.350 nan 0.000 0.284 687 E C 0.457 177.059 176.600 0.005 0.000 0.958 687 E CA 1.403 57.822 56.400 0.031 0.000 0.917 687 E CB -1.426 28.316 29.700 0.070 0.000 1.466 687 E HN 0.246 8.566 8.360 -0.006 0.036 0.455 688 E N -4.544 115.606 120.200 -0.082 0.000 2.502 688 E HA -0.116 nan 4.350 nan 0.000 0.194 688 E C 0.514 176.928 176.600 -0.309 0.000 1.062 688 E CA 1.001 57.327 56.400 -0.123 0.000 0.867 688 E CB -0.568 29.002 29.700 -0.217 0.000 0.888 688 E HN 0.372 8.536 8.360 -0.149 0.107 0.510 689 A N 0.477 123.112 122.820 -0.309 0.000 1.908 689 A HA -0.309 nan 4.320 nan 0.000 0.218 689 A C 1.935 179.490 177.584 -0.049 0.000 1.181 689 A CA 3.112 54.992 52.037 -0.262 0.000 0.627 689 A CB -1.015 17.896 19.000 -0.148 0.000 0.818 689 A HN 0.388 8.307 8.150 -0.241 0.087 0.445 690 Q N -1.723 118.073 119.800 -0.006 0.000 2.181 690 Q HA -0.395 nan 4.340 nan 0.000 0.205 690 Q C 2.111 178.162 176.000 0.084 0.000 0.980 690 Q CA 3.075 58.905 55.803 0.044 0.000 0.862 690 Q CB -0.365 28.404 28.738 0.051 0.000 0.905 690 Q HN -0.396 7.860 8.270 -0.020 0.002 0.429 691 A N 0.466 123.355 122.820 0.116 0.000 1.858 691 A HA -0.239 nan 4.320 nan 0.000 0.216 691 A C 2.105 179.860 177.584 0.284 0.000 1.190 691 A CA 2.922 55.077 52.037 0.196 0.000 0.617 691 A CB -0.967 18.187 19.000 0.256 0.000 0.827 691 A HN -0.200 7.856 8.150 0.068 0.135 0.443 692 F N -1.959 117.977 119.950 -0.024 0.000 2.091 692 F HA -0.376 nan 4.527 nan 0.000 0.299 692 F C 2.286 178.033 175.800 -0.089 0.000 1.103 692 F CA 1.958 59.927 58.000 -0.052 0.000 1.228 692 F CB -0.987 38.009 39.000 -0.006 0.000 0.984 692 F HN -0.360 8.276 8.300 0.561 0.000 0.477 693 I N -1.454 119.163 120.570 0.077 0.000 2.142 693 I HA -0.646 nan 4.170 nan 0.000 0.240 693 I C 1.944 177.966 176.117 -0.159 0.000 1.078 693 I CA 4.684 65.883 61.300 -0.168 0.000 1.343 693 I CB -0.499 37.399 38.000 -0.171 0.000 1.046 693 I HN 0.414 8.705 8.210 0.136 0.000 0.405 694 E N -0.305 119.896 120.200 0.002 0.000 2.097 694 E HA -0.419 nan 4.350 nan 0.000 0.196 694 E C 2.881 179.512 176.600 0.052 0.000 1.000 694 E CA 3.720 60.163 56.400 0.071 0.000 0.804 694 E CB -0.389 29.362 29.700 0.085 0.000 0.740 694 E HN -0.285 8.099 8.360 0.041 0.000 0.454 695 R N -1.317 119.185 120.500 0.004 0.000 2.073 695 R HA -0.344 nan 4.340 nan 0.000 0.234 695 R C 2.195 178.476 176.300 -0.032 0.000 1.134 695 R CA 3.439 59.501 56.100 -0.062 0.000 0.952 695 R CB -0.110 30.073 30.300 -0.195 0.000 0.850 695 R HN 0.051 8.331 8.270 0.017 0.000 0.433 696 Y N 1.777 121.995 120.300 -0.136 0.000 2.081 696 Y HA -0.462 nan 4.550 nan 0.000 0.280 696 Y C 2.019 178.006 175.900 0.144 0.000 1.163 696 Y CA 4.004 62.075 58.100 -0.048 0.000 1.135 696 Y CB 0.103 38.431 38.460 -0.220 0.000 0.970 696 Y HN 0.019 8.331 8.280 0.053 0.000 0.498 697 F N -4.526 115.563 119.950 0.232 0.000 2.407 697 F HA -0.229 nan 4.527 nan 0.000 0.299 697 F C 1.987 177.794 175.800 0.012 0.000 1.097 697 F CA 0.847 58.926 58.000 0.132 0.000 1.422 697 F CB -0.920 38.178 39.000 0.162 0.000 1.067 697 F HN 0.259 8.562 8.300 0.005 0.000 0.539 698 Q N -0.937 118.942 119.800 0.131 0.000 2.046 698 Q HA -0.143 nan 4.340 nan 0.000 0.200 698 Q C 1.366 177.300 176.000 -0.110 0.000 0.975 698 Q CA 2.061 57.868 55.803 0.008 0.000 0.836 698 Q CB 0.380 29.103 28.738 -0.025 0.000 0.896 698 Q HN -0.119 8.115 8.270 0.128 0.112 0.428 699 S N -0.361 115.215 115.700 -0.206 0.000 2.368 699 S HA -0.212 nan 4.470 nan 0.000 0.224 699 S C 0.691 174.926 174.600 -0.608 0.000 1.029 699 S CA 2.734 60.654 58.200 -0.467 0.000 0.988 699 S CB 0.835 63.706 63.200 -0.549 0.000 0.838 699 S HN -0.287 7.933 8.310 -0.150 0.000 0.462 700 F N 0.327 120.202 119.950 -0.125 0.000 2.334 700 F HA 0.465 nan 4.527 nan 0.000 0.343 700 F C -2.446 173.349 175.800 -0.008 0.000 1.136 700 F CA -2.341 55.596 58.000 -0.106 0.000 1.237 700 F CB -0.434 38.423 39.000 -0.239 0.000 1.525 700 F HN -0.041 8.060 8.300 -0.149 0.110 0.528 701 P HA -0.219 nan 4.420 nan 0.000 0.216 701 P C 1.147 178.459 177.300 0.020 0.000 1.153 701 P CA 2.178 65.306 63.100 0.045 0.000 0.844 701 P CB 0.316 32.012 31.700 -0.007 0.000 0.787 702 K N -2.665 117.758 120.400 0.038 0.000 2.211 702 K HA -0.270 nan 4.320 nan 0.000 0.203 702 K C 2.281 178.909 176.600 0.048 0.000 1.050 702 K CA 3.326 59.633 56.287 0.034 0.000 0.945 702 K CB -0.324 32.196 32.500 0.033 0.000 0.732 702 K HN -0.059 8.508 8.250 0.053 -0.285 0.451 703 V N 0.228 120.172 119.914 0.050 0.000 2.287 703 V HA -0.362 nan 4.120 nan 0.000 0.248 703 V C 2.212 178.259 176.094 -0.078 0.000 1.053 703 V CA 4.783 67.101 62.300 0.031 0.000 1.027 703 V CB -0.721 31.169 31.823 0.112 0.000 0.646 703 V HN -0.410 7.815 8.190 0.099 0.024 0.447 704 R N -0.573 119.723 120.500 -0.339 0.000 2.075 704 R HA -0.343 nan 4.340 nan 0.000 0.232 704 R C 1.729 177.879 176.300 -0.249 0.000 1.126 704 R CA 3.260 58.995 56.100 -0.608 0.000 0.963 704 R CB -0.445 29.354 30.300 -0.835 0.000 0.858 704 R HN -0.534 7.584 8.270 -0.253 0.000 0.435 705 A N -1.252 121.497 122.820 -0.119 0.000 1.978 705 A HA -0.276 nan 4.320 nan 0.000 0.220 705 A C 1.685 179.254 177.584 -0.025 0.000 1.170 705 A CA 2.946 54.946 52.037 -0.061 0.000 0.636 705 A CB -1.102 17.884 19.000 -0.023 0.000 0.810 705 A HN -0.224 7.860 8.150 -0.111 0.000 0.448 706 W N -0.298 120.915 121.300 -0.145 0.000 2.378 706 W HA -0.367 nan 4.660 nan 0.000 0.313 706 W C 1.377 177.820 176.519 -0.126 0.000 1.197 706 W CA 4.476 61.753 57.345 -0.113 0.000 1.304 706 W CB 0.333 29.736 29.460 -0.095 0.000 1.148 706 W HN 0.042 8.256 8.180 0.178 0.073 0.494 707 I N -1.650 118.865 120.570 -0.091 0.000 2.118 707 I HA -0.650 nan 4.170 nan 0.000 0.241 707 I C 2.116 178.054 176.117 -0.299 0.000 1.070 707 I CA 2.563 63.679 61.300 -0.307 0.000 1.327 707 I CB -1.580 36.237 38.000 -0.305 0.000 1.034 707 I HN -0.305 7.980 8.210 0.124 0.000 0.405 708 E N 0.068 120.137 120.200 -0.219 0.000 2.021 708 E HA -0.504 nan 4.350 nan 0.000 0.200 708 E C 2.152 178.636 176.600 -0.194 0.000 1.015 708 E CA 3.813 60.113 56.400 -0.167 0.000 0.824 708 E CB -0.169 29.454 29.700 -0.128 0.000 0.762 708 E HN -0.192 8.047 8.360 -0.202 0.000 0.454 709 K N -1.373 118.896 120.400 -0.219 0.000 2.020 709 K HA -0.357 nan 4.320 nan 0.000 0.212 709 K C 2.371 178.794 176.600 -0.296 0.000 1.050 709 K CA 2.861 59.013 56.287 -0.224 0.000 0.929 709 K CB -0.477 31.897 32.500 -0.209 0.000 0.714 709 K HN -0.204 7.925 8.250 -0.201 0.000 0.443 710 T N 2.871 117.131 114.554 -0.490 0.000 2.592 710 T HA -0.361 nan 4.350 nan 0.000 0.267 710 T C 2.308 176.829 174.700 -0.298 0.000 1.060 710 T CA 5.052 66.834 62.100 -0.529 0.000 1.167 710 T CB -0.556 67.742 68.868 -0.950 0.000 0.863 710 T HN -0.042 7.807 8.240 -0.652 0.000 0.431 711 L N -0.504 120.586 121.223 -0.222 0.000 2.093 711 L HA -0.409 nan 4.340 nan 0.000 0.208 711 L C 1.606 178.404 176.870 -0.120 0.000 1.085 711 L CA 3.135 57.903 54.840 -0.120 0.000 0.755 711 L CB -0.887 41.138 42.059 -0.057 0.000 0.904 711 L HN -0.212 7.865 8.230 -0.254 0.000 0.435 712 E N 0.744 120.863 120.200 -0.134 0.000 2.033 712 E HA -0.400 nan 4.350 nan 0.000 0.199 712 E C 2.111 178.638 176.600 -0.121 0.000 1.011 712 E CA 3.220 59.553 56.400 -0.113 0.000 0.815 712 E CB -0.105 29.526 29.700 -0.115 0.000 0.755 712 E HN 0.138 8.354 8.360 -0.152 0.053 0.451 713 E N -2.399 117.707 120.200 -0.156 0.000 2.072 713 E HA -0.166 nan 4.350 nan 0.000 0.190 713 E C 2.333 178.811 176.600 -0.204 0.000 0.982 713 E CA 1.841 58.136 56.400 -0.175 0.000 0.803 713 E CB 0.382 29.962 29.700 -0.199 0.000 0.755 713 E HN 0.150 8.405 8.360 -0.176 0.000 0.453 714 G N -0.344 108.331 108.800 -0.209 0.000 2.553 714 G HA2 -0.375 nan 3.960 nan 0.000 0.218 714 G HA3 -0.375 nan 3.960 nan 0.000 0.218 714 G C 0.762 175.584 174.900 -0.130 0.000 1.195 714 G CA 2.199 47.179 45.100 -0.199 0.000 0.779 714 G HN 0.488 8.653 8.290 -0.207 0.000 0.577 715 R N 0.492 120.939 120.500 -0.087 0.000 2.357 715 R HA -0.169 nan 4.340 nan 0.000 0.202 715 R C 0.833 177.106 176.300 -0.045 0.000 1.047 715 R CA 1.841 57.913 56.100 -0.048 0.000 1.034 715 R CB -0.396 29.883 30.300 -0.034 0.000 0.875 715 R HN -0.134 8.080 8.270 -0.093 0.000 0.473 716 R N -1.167 119.289 120.500 -0.074 0.000 2.140 716 R HA 0.014 nan 4.340 nan 0.000 0.200 716 R C 1.771 178.035 176.300 -0.060 0.000 1.069 716 R CA 1.607 57.670 56.100 -0.062 0.000 1.088 716 R CB 1.274 31.528 30.300 -0.075 0.000 1.012 716 R HN -0.080 7.904 8.270 -0.106 0.222 0.500 717 R N -3.350 117.074 120.500 -0.126 0.000 2.210 717 R HA 0.027 nan 4.340 nan 0.000 0.203 717 R C 0.891 177.187 176.300 -0.008 0.000 1.010 717 R CA 1.013 57.029 56.100 -0.140 0.000 1.008 717 R CB 0.816 30.868 30.300 -0.412 0.000 0.923 717 R HN 0.250 8.307 8.270 -0.174 0.108 0.469 718 G N -1.993 106.800 108.800 -0.012 0.000 2.175 718 G HA2 -0.347 nan 3.960 nan 0.000 0.244 718 G HA3 -0.347 nan 3.960 nan 0.000 0.244 718 G C -1.665 173.357 174.900 0.204 0.000 0.982 718 G CA 0.168 45.352 45.100 0.141 0.000 0.641 718 G HN 0.438 8.573 8.290 -0.085 0.103 0.527 719 Y N -6.391 113.848 120.300 -0.101 0.000 2.741 719 Y HA 0.738 nan 4.550 nan 0.000 0.339 719 Y C -2.879 172.920 175.900 -0.168 0.000 1.226 719 Y CA -1.986 55.986 58.100 -0.213 0.000 1.072 719 Y CB 0.846 38.954 38.460 -0.586 0.000 1.331 719 Y HN -0.861 7.167 8.280 -0.344 0.046 0.453 720 V N -6.875 113.036 119.914 -0.004 0.000 3.181 720 V HA 0.664 nan 4.120 nan 0.000 0.314 720 V C -2.323 173.851 176.094 0.134 0.000 1.173 720 V CA -3.201 59.073 62.300 -0.043 0.000 1.052 720 V CB 2.589 34.397 31.823 -0.024 0.000 1.123 720 V HN 0.259 8.508 8.190 0.097 0.000 0.454 721 E N -2.658 117.604 120.200 0.102 0.000 2.430 721 E HA 0.611 nan 4.350 nan 0.000 0.279 721 E C -0.721 175.969 176.600 0.149 0.000 1.003 721 E CA -1.192 55.290 56.400 0.137 0.000 0.801 721 E CB 4.611 34.405 29.700 0.156 0.000 1.313 721 E HN 0.130 8.529 8.360 0.066 0.000 0.459 722 T N -4.496 110.151 114.554 0.155 0.000 2.810 722 T HA 0.470 nan 4.350 nan 0.000 0.277 722 T C 1.226 176.030 174.700 0.173 0.000 0.973 722 T CA -1.555 60.657 62.100 0.188 0.000 0.949 722 T CB 1.949 70.938 68.868 0.203 0.000 1.075 722 T HN 0.172 8.494 8.240 0.138 0.000 0.537 723 L N 0.690 122.009 121.223 0.160 0.000 2.189 723 L HA -0.249 nan 4.340 nan 0.000 0.214 723 L C 0.464 177.219 176.870 -0.192 0.000 1.097 723 L CA 2.694 57.526 54.840 -0.015 0.000 0.764 723 L CB 0.287 42.269 42.059 -0.129 0.000 0.900 723 L HN 0.622 8.968 8.230 0.192 0.000 0.436 724 F N -4.320 115.602 119.950 -0.048 0.000 2.641 724 F HA 0.073 nan 4.527 nan 0.000 0.302 724 F C -0.018 175.782 175.800 0.001 0.000 1.098 724 F CA -0.612 57.339 58.000 -0.081 0.000 1.318 724 F CB -0.393 38.567 39.000 -0.067 0.000 1.035 724 F HN -0.853 7.639 8.300 0.401 0.049 0.551 725 G N -1.411 107.487 108.800 0.163 0.000 2.157 725 G HA2 -0.475 nan 3.960 nan 0.000 0.248 725 G HA3 -0.475 nan 3.960 nan 0.000 0.248 725 G C -1.102 173.866 174.900 0.114 0.000 0.979 725 G CA -0.132 45.044 45.100 0.127 0.000 0.650 725 G HN -0.054 8.159 8.290 0.139 0.160 0.529 726 R N 1.416 121.994 120.500 0.130 0.000 2.343 726 R HA -0.177 nan 4.340 nan 0.000 0.326 726 R C -0.974 175.337 176.300 0.019 0.000 1.055 726 R CA -0.044 56.094 56.100 0.064 0.000 0.961 726 R CB 0.417 30.757 30.300 0.068 0.000 0.978 726 R HN -0.368 8.004 8.270 0.170 0.000 0.443 727 R N 6.812 127.272 120.500 -0.066 0.000 2.357 727 R HA 0.128 nan 4.340 nan 0.000 0.296 727 R C -1.067 175.120 176.300 -0.189 0.000 1.052 727 R CA 0.020 56.005 56.100 -0.193 0.000 0.988 727 R CB 0.967 30.974 30.300 -0.489 0.000 1.025 727 R HN 0.099 8.325 8.270 -0.074 0.000 0.469 728 R N 7.216 127.614 120.500 -0.169 0.000 2.514 728 R HA 0.341 nan 4.340 nan 0.000 0.296 728 R C -1.825 174.446 176.300 -0.048 0.000 1.012 728 R CA -1.495 54.583 56.100 -0.037 0.000 0.897 728 R CB 2.541 32.854 30.300 0.022 0.000 1.184 728 R HN 0.196 8.403 8.270 -0.104 0.000 0.440 729 Y N 5.295 125.626 120.300 0.053 0.000 2.335 729 Y HA 0.173 nan 4.550 nan 0.000 0.331 729 Y C 0.139 176.079 175.900 0.066 0.000 1.094 729 Y CA 0.112 58.268 58.100 0.094 0.000 1.253 729 Y CB 0.408 38.899 38.460 0.053 0.000 1.203 729 Y HN 0.276 8.900 8.280 0.573 0.000 0.508 730 V N 4.128 124.147 119.914 0.176 0.000 2.592 730 V HA 0.343 nan 4.120 nan 0.000 0.278 730 V C -0.505 175.641 176.094 0.086 0.000 1.087 730 V CA -3.009 59.349 62.300 0.097 0.000 1.282 730 V CB -1.612 30.235 31.823 0.040 0.000 1.543 730 V HN 0.278 8.581 8.190 0.188 0.000 0.606 731 P HA -0.241 nan 4.420 nan 0.000 0.217 731 P C 0.753 178.080 177.300 0.046 0.000 1.148 731 P CA 2.469 65.617 63.100 0.080 0.000 0.834 731 P CB 0.003 31.749 31.700 0.077 0.000 0.783 732 D N -1.122 119.301 120.400 0.039 0.000 2.378 732 D HA -0.140 nan 4.640 nan 0.000 0.222 732 D C 2.161 178.472 176.300 0.019 0.000 0.980 732 D CA 2.017 56.032 54.000 0.025 0.000 0.907 732 D CB -0.977 39.836 40.800 0.022 0.000 0.899 732 D HN 0.231 8.604 8.370 0.045 0.024 0.527 733 L N -0.459 120.774 121.223 0.016 0.000 2.261 733 L HA -0.342 nan 4.340 nan 0.000 0.216 733 L C 0.802 177.677 176.870 0.008 0.000 1.114 733 L CA 2.787 57.632 54.840 0.008 0.000 0.777 733 L CB -0.231 41.826 42.059 -0.003 0.000 0.910 733 L HN -0.138 8.057 8.230 0.021 0.048 0.440 734 E N -3.405 116.801 120.200 0.011 0.000 2.609 734 E HA 0.181 nan 4.350 nan 0.000 0.208 734 E C -1.248 175.359 176.600 0.012 0.000 1.013 734 E CA -2.325 54.081 56.400 0.009 0.000 1.093 734 E CB -0.776 28.929 29.700 0.009 0.000 1.129 734 E HN -0.669 7.668 8.360 0.016 0.033 0.450 735 A N -0.873 121.955 122.820 0.013 0.000 2.406 735 A HA -0.009 nan 4.320 nan 0.000 0.243 735 A C -0.655 176.936 177.584 0.012 0.000 1.082 735 A CA 0.472 52.517 52.037 0.013 0.000 0.786 735 A CB 0.519 19.527 19.000 0.015 0.000 1.029 735 A HN -0.209 7.791 8.150 0.014 0.158 0.495 736 R N -0.291 120.216 120.500 0.011 0.000 2.055 736 R HA -0.078 nan 4.340 nan 0.000 0.226 736 R C 0.447 176.753 176.300 0.010 0.000 1.135 736 R CA 1.450 57.556 56.100 0.009 0.000 0.959 736 R CB -0.199 30.105 30.300 0.008 0.000 0.854 736 R HN 0.283 8.560 8.270 0.011 0.000 0.431 737 V N 1.774 121.695 119.914 0.011 0.000 2.415 737 V HA -0.032 nan 4.120 nan 0.000 0.267 737 V C 0.666 176.769 176.094 0.014 0.000 1.042 737 V CA -0.102 62.205 62.300 0.012 0.000 1.000 737 V CB -0.575 31.255 31.823 0.012 0.000 1.015 737 V HN -0.084 8.113 8.190 0.011 0.000 0.478 738 K N 7.742 128.151 120.400 0.015 0.000 2.218 738 K HA -0.435 nan 4.320 nan 0.000 0.205 738 K C 1.751 178.365 176.600 0.022 0.000 1.046 738 K CA 3.376 59.674 56.287 0.019 0.000 0.933 738 K CB -0.356 32.155 32.500 0.018 0.000 0.728 738 K HN 0.564 8.822 8.250 0.013 0.000 0.454 739 S N -0.382 115.330 115.700 0.020 0.000 2.365 739 S HA -0.299 nan 4.470 nan 0.000 0.225 739 S C 1.810 176.424 174.600 0.024 0.000 1.039 739 S CA 3.131 61.345 58.200 0.023 0.000 1.033 739 S CB -0.413 62.799 63.200 0.020 0.000 0.887 739 S HN 0.006 8.304 8.310 0.017 0.023 0.447 740 V N 1.710 121.636 119.914 0.020 0.000 2.649 740 V HA -0.153 nan 4.120 nan 0.000 0.248 740 V C 0.652 176.757 176.094 0.018 0.000 1.054 740 V CA 2.224 64.535 62.300 0.018 0.000 1.073 740 V CB -0.576 31.256 31.823 0.015 0.000 0.699 740 V HN -0.109 7.981 8.190 0.018 0.111 0.463 741 R N 0.064 120.576 120.500 0.020 0.000 2.105 741 R HA -0.427 nan 4.340 nan 0.000 0.239 741 R C 1.777 178.093 176.300 0.028 0.000 1.135 741 R CA 3.898 60.010 56.100 0.021 0.000 0.967 741 R CB -0.272 30.041 30.300 0.021 0.000 0.861 741 R HN -0.075 8.144 8.270 0.019 0.063 0.442 742 E N -1.600 118.620 120.200 0.034 0.000 2.023 742 E HA -0.351 nan 4.350 nan 0.000 0.196 742 E C 1.999 178.621 176.600 0.036 0.000 1.003 742 E CA 2.849 59.277 56.400 0.047 0.000 0.809 742 E CB -0.582 29.149 29.700 0.052 0.000 0.755 742 E HN 0.089 8.474 8.360 0.032 -0.006 0.449 743 A N -0.866 121.967 122.820 0.022 0.000 1.884 743 A HA -0.360 nan 4.320 nan 0.000 0.219 743 A C 2.168 179.741 177.584 -0.017 0.000 1.197 743 A CA 3.038 55.077 52.037 0.003 0.000 0.637 743 A CB -0.905 18.098 19.000 0.005 0.000 0.827 743 A HN -0.708 7.458 8.150 0.026 0.000 0.450 744 A N -2.329 120.487 122.820 -0.006 0.000 1.892 744 A HA -0.411 nan 4.320 nan 0.000 0.218 744 A C 2.038 179.600 177.584 -0.037 0.000 1.188 744 A CA 3.097 55.126 52.037 -0.014 0.000 0.631 744 A CB -0.929 18.074 19.000 0.004 0.000 0.822 744 A HN 0.051 8.204 8.150 0.005 0.000 0.447 745 E N -1.530 118.666 120.200 -0.007 0.000 2.068 745 E HA -0.496 nan 4.350 nan 0.000 0.207 745 E C 1.982 178.521 176.600 -0.102 0.000 1.032 745 E CA 3.908 60.323 56.400 0.024 0.000 0.839 745 E CB -0.278 29.480 29.700 0.097 0.000 0.758 745 E HN -0.477 7.890 8.360 0.013 0.000 0.457 746 R N -1.737 118.670 120.500 -0.155 0.000 2.143 746 R HA -0.419 nan 4.340 nan 0.000 0.239 746 R C 2.241 178.172 176.300 -0.615 0.000 1.126 746 R CA 2.974 58.809 56.100 -0.441 0.000 0.927 746 R CB -0.327 29.873 30.300 -0.166 0.000 0.860 746 R HN -0.509 7.737 8.270 -0.040 0.000 0.433 747 M N -1.097 118.336 119.600 -0.277 0.000 2.082 747 M HA -0.343 nan 4.480 nan 0.000 0.258 747 M C 2.077 178.275 176.300 -0.169 0.000 1.069 747 M CA 2.695 57.887 55.300 -0.180 0.000 1.102 747 M CB -0.756 31.802 32.600 -0.070 0.000 1.336 747 M HN -0.467 7.714 8.290 -0.182 0.000 0.404 748 A N -1.038 121.694 122.820 -0.146 0.000 1.927 748 A HA -0.313 nan 4.320 nan 0.000 0.220 748 A C 1.111 178.689 177.584 -0.010 0.000 1.185 748 A CA 3.111 55.108 52.037 -0.067 0.000 0.639 748 A CB -0.603 18.372 19.000 -0.042 0.000 0.820 748 A HN 0.272 8.338 8.150 -0.141 0.000 0.451 749 F N -8.221 111.745 119.950 0.027 0.000 2.656 749 F HA 0.152 nan 4.527 nan 0.000 0.291 749 F C 0.800 176.804 175.800 0.340 0.000 1.122 749 F CA -0.674 57.405 58.000 0.133 0.000 1.427 749 F CB 0.091 39.147 39.000 0.093 0.000 1.125 749 F HN -0.923 7.179 8.300 -0.331 0.000 0.583 750 N N 2.139 120.747 118.700 -0.152 0.000 2.142 750 N HA -0.355 nan 4.740 nan 0.000 0.186 750 N C 1.975 177.557 175.510 0.121 0.000 1.023 750 N CA 3.344 56.388 53.050 -0.010 0.000 0.852 750 N CB 0.464 38.833 38.487 -0.197 0.000 0.998 750 N HN -0.072 7.889 8.380 -0.699 0.000 0.424 751 M N 0.386 120.040 119.600 0.089 0.000 2.117 751 M HA -0.045 nan 4.480 nan 0.000 0.262 751 M C -1.387 175.017 176.300 0.173 0.000 1.065 751 M CA 4.534 59.902 55.300 0.112 0.000 1.114 751 M CB -2.308 30.338 32.600 0.076 0.000 1.361 751 M HN 0.525 8.723 8.290 0.024 0.106 0.408 752 P HA -0.262 nan 4.420 nan 0.000 0.214 752 P C 1.524 178.980 177.300 0.260 0.000 1.163 752 P CA 3.008 66.293 63.100 0.308 0.000 0.883 752 P CB -0.495 31.523 31.700 0.531 0.000 0.788 753 V N -1.903 118.172 119.914 0.268 0.000 2.223 753 V HA -0.459 nan 4.120 nan 0.000 0.244 753 V C 2.381 178.550 176.094 0.124 0.000 1.045 753 V CA 4.862 67.246 62.300 0.140 0.000 1.000 753 V CB -0.790 31.107 31.823 0.123 0.000 0.635 753 V HN -0.699 7.725 8.190 0.390 0.000 0.445 754 Q N -1.853 118.033 119.800 0.143 0.000 2.124 754 Q HA -0.375 nan 4.340 nan 0.000 0.202 754 Q C 2.565 178.634 176.000 0.115 0.000 0.977 754 Q CA 3.403 59.282 55.803 0.126 0.000 0.850 754 Q CB -0.376 28.443 28.738 0.134 0.000 0.901 754 Q HN 0.061 8.430 8.270 0.166 0.000 0.429 755 G N -0.343 108.533 108.800 0.126 0.000 2.433 755 G HA2 -0.385 nan 3.960 nan 0.000 0.216 755 G HA3 -0.385 nan 3.960 nan 0.000 0.216 755 G C 0.950 175.922 174.900 0.120 0.000 1.186 755 G CA 2.268 47.439 45.100 0.119 0.000 0.779 755 G HN 0.284 8.541 8.290 0.140 0.118 0.543 756 T N 5.333 119.974 114.554 0.146 0.000 2.720 756 T HA -0.389 nan 4.350 nan 0.000 0.268 756 T C 2.008 176.767 174.700 0.098 0.000 1.037 756 T CA 5.114 67.320 62.100 0.176 0.000 1.144 756 T CB -0.539 68.427 68.868 0.163 0.000 0.864 756 T HN 0.125 8.344 8.240 0.155 0.114 0.444 757 A N 0.494 123.345 122.820 0.053 0.000 1.908 757 A HA -0.327 nan 4.320 nan 0.000 0.218 757 A C 1.443 179.029 177.584 0.003 0.000 1.181 757 A CA 3.081 55.114 52.037 -0.006 0.000 0.627 757 A CB -0.846 18.163 19.000 0.014 0.000 0.818 757 A HN -0.172 8.019 8.150 0.069 0.000 0.445 758 A N -1.492 121.353 122.820 0.041 0.000 1.865 758 A HA -0.414 nan 4.320 nan 0.000 0.217 758 A C 1.846 179.424 177.584 -0.011 0.000 1.191 758 A CA 3.338 55.400 52.037 0.042 0.000 0.623 758 A CB -0.841 18.202 19.000 0.072 0.000 0.826 758 A HN 0.269 8.457 8.150 0.065 0.000 0.444 759 D N -0.653 119.715 120.400 -0.055 0.000 2.104 759 D HA -0.317 nan 4.640 nan 0.000 0.194 759 D C 2.491 178.629 176.300 -0.271 0.000 0.994 759 D CA 3.471 57.338 54.000 -0.221 0.000 0.830 759 D CB -0.444 40.108 40.800 -0.414 0.000 0.959 759 D HN -0.362 8.005 8.370 -0.004 0.000 0.452 760 L N -1.151 119.969 121.223 -0.170 0.000 2.013 760 L HA -0.457 nan 4.340 nan 0.000 0.212 760 L C 2.224 179.086 176.870 -0.014 0.000 1.073 760 L CA 2.988 57.776 54.840 -0.086 0.000 0.753 760 L CB -0.216 41.800 42.059 -0.072 0.000 0.890 760 L HN 0.232 8.406 8.230 -0.092 0.000 0.432 761 M N -0.992 118.619 119.600 0.017 0.000 2.067 761 M HA -0.439 nan 4.480 nan 0.000 0.260 761 M C 1.480 177.810 176.300 0.049 0.000 1.069 761 M CA 3.313 58.690 55.300 0.129 0.000 1.117 761 M CB -0.296 32.387 32.600 0.139 0.000 1.334 761 M HN -0.210 8.067 8.290 -0.021 0.000 0.407 762 K N -0.535 119.857 120.400 -0.013 0.000 2.020 762 K HA -0.429 nan 4.320 nan 0.000 0.212 762 K C 2.405 178.975 176.600 -0.049 0.000 1.050 762 K CA 3.759 60.020 56.287 -0.044 0.000 0.929 762 K CB -0.374 32.090 32.500 -0.060 0.000 0.714 762 K HN -0.313 7.925 8.250 -0.020 0.000 0.443 763 L N -1.397 119.783 121.223 -0.071 0.000 2.042 763 L HA -0.398 nan 4.340 nan 0.000 0.210 763 L C 1.406 178.297 176.870 0.034 0.000 1.076 763 L CA 2.919 57.737 54.840 -0.037 0.000 0.749 763 L CB -0.655 41.378 42.059 -0.044 0.000 0.893 763 L HN 0.026 8.187 8.230 -0.115 0.000 0.432 764 A N -0.769 122.095 122.820 0.074 0.000 1.865 764 A HA -0.465 nan 4.320 nan 0.000 0.217 764 A C 2.063 179.685 177.584 0.063 0.000 1.191 764 A CA 3.169 55.269 52.037 0.105 0.000 0.623 764 A CB -0.779 18.327 19.000 0.178 0.000 0.826 764 A HN -0.026 8.170 8.150 0.077 0.000 0.444 765 M N -1.909 117.712 119.600 0.036 0.000 2.149 765 M HA -0.477 nan 4.480 nan 0.000 0.261 765 M C 2.391 178.709 176.300 0.031 0.000 1.064 765 M CA 4.147 59.454 55.300 0.012 0.000 1.102 765 M CB -0.178 32.395 32.600 -0.044 0.000 1.369 765 M HN 0.036 8.349 8.290 0.038 0.000 0.408 766 V N -0.584 119.336 119.914 0.010 0.000 2.407 766 V HA -0.395 nan 4.120 nan 0.000 0.248 766 V C 1.935 178.063 176.094 0.058 0.000 1.055 766 V CA 3.829 66.138 62.300 0.016 0.000 1.049 766 V CB -0.879 30.924 31.823 -0.034 0.000 0.662 766 V HN 0.000 8.185 8.190 -0.008 0.000 0.455 767 K N -1.934 118.501 120.400 0.057 0.000 2.076 767 K HA -0.196 nan 4.320 nan 0.000 0.204 767 K C 1.898 178.533 176.600 0.058 0.000 1.051 767 K CA 2.317 58.640 56.287 0.060 0.000 0.949 767 K CB 0.395 32.938 32.500 0.070 0.000 0.726 767 K HN -0.268 7.940 8.250 0.051 0.073 0.443 768 L N -0.640 120.622 121.223 0.065 0.000 1.994 768 L HA -0.314 nan 4.340 nan 0.000 0.208 768 L C 1.080 177.992 176.870 0.071 0.000 1.071 768 L CA 2.491 57.364 54.840 0.054 0.000 0.745 768 L CB -0.369 41.718 42.059 0.048 0.000 0.892 768 L HN 0.093 8.253 8.230 0.065 0.109 0.431 769 F N -0.396 119.523 119.950 -0.051 0.000 2.048 769 F HA -0.420 nan 4.527 nan 0.000 0.296 769 F C -1.574 174.180 175.800 -0.077 0.000 1.109 769 F CA 5.611 63.567 58.000 -0.074 0.000 1.214 769 F CB -3.027 35.918 39.000 -0.092 0.000 0.963 769 F HN 0.089 8.527 8.300 0.230 0.000 0.491 770 P HA -0.272 nan 4.420 nan 0.000 0.213 770 P C 1.999 179.153 177.300 -0.245 0.000 1.170 770 P CA 3.526 66.452 63.100 -0.291 0.000 0.902 770 P CB -0.428 31.208 31.700 -0.107 0.000 0.789 771 R N -2.932 117.489 120.500 -0.132 0.000 2.159 771 R HA -0.262 nan 4.340 nan 0.000 0.237 771 R C 2.680 178.908 176.300 -0.120 0.000 1.131 771 R CA 3.130 59.169 56.100 -0.102 0.000 0.982 771 R CB -0.630 29.639 30.300 -0.053 0.000 0.868 771 R HN -0.439 7.779 8.270 -0.085 0.000 0.453 772 L N -0.314 120.824 121.223 -0.142 0.000 2.017 772 L HA -0.410 nan 4.340 nan 0.000 0.208 772 L C 1.855 178.628 176.870 -0.163 0.000 1.073 772 L CA 3.252 58.022 54.840 -0.117 0.000 0.745 772 L CB -0.426 41.596 42.059 -0.062 0.000 0.894 772 L HN 0.169 8.236 8.230 -0.131 0.085 0.432 773 E N -1.294 118.721 120.200 -0.309 0.000 2.110 773 E HA -0.383 nan 4.350 nan 0.000 0.193 773 E C 3.156 179.657 176.600 -0.165 0.000 0.988 773 E CA 3.300 59.534 56.400 -0.276 0.000 0.804 773 E CB -0.402 29.029 29.700 -0.448 0.000 0.745 773 E HN -0.222 7.866 8.360 -0.454 0.000 0.458 774 E N 0.309 120.414 120.200 -0.158 0.000 2.070 774 E HA -0.301 nan 4.350 nan 0.000 0.197 774 E C 2.065 178.613 176.600 -0.086 0.000 1.004 774 E CA 2.494 58.830 56.400 -0.107 0.000 0.805 774 E CB -0.149 29.494 29.700 -0.094 0.000 0.744 774 E HN -0.609 7.629 8.360 -0.197 0.004 0.451 775 M N -5.151 114.398 119.600 -0.086 0.000 2.722 775 M HA -0.097 nan 4.480 nan 0.000 0.238 775 M C 0.530 176.777 176.300 -0.089 0.000 1.098 775 M CA 0.252 55.504 55.300 -0.080 0.000 1.062 775 M CB 0.178 32.735 32.600 -0.072 0.000 1.573 775 M HN -0.705 7.530 8.290 -0.093 0.000 0.531 776 G N -2.803 105.953 108.800 -0.073 0.000 2.225 776 G HA2 -0.331 nan 3.960 nan 0.000 0.267 776 G HA3 -0.331 nan 3.960 nan 0.000 0.267 776 G C -0.817 174.059 174.900 -0.041 0.000 1.024 776 G CA 0.313 45.380 45.100 -0.056 0.000 0.784 776 G HN -0.444 7.611 8.290 -0.074 0.191 0.507 777 A N 0.832 123.650 122.820 -0.003 0.000 2.261 777 A HA 0.779 nan 4.320 nan 0.000 0.323 777 A C -1.914 175.771 177.584 0.169 0.000 1.107 777 A CA -0.687 51.397 52.037 0.078 0.000 0.883 777 A CB 2.179 21.190 19.000 0.018 0.000 1.251 777 A HN -0.249 7.873 8.150 -0.026 0.012 0.502 778 R N -3.434 117.201 120.500 0.224 0.000 2.604 778 R HA 0.365 nan 4.340 nan 0.000 0.270 778 R C -1.409 174.972 176.300 0.135 0.000 1.052 778 R CA -1.068 55.144 56.100 0.186 0.000 0.902 778 R CB 2.469 32.886 30.300 0.194 0.000 1.233 778 R HN 0.803 9.237 8.270 0.273 0.000 0.455 779 M N 2.404 122.084 119.600 0.133 0.000 2.277 779 M HA 0.332 nan 4.480 nan 0.000 0.350 779 M C -1.043 175.280 176.300 0.038 0.000 1.180 779 M CA 0.864 56.203 55.300 0.064 0.000 1.103 779 M CB 1.066 33.701 32.600 0.059 0.000 1.577 779 M HN 0.537 8.943 8.290 0.194 0.000 0.459 780 L N 1.002 122.218 121.223 -0.011 0.000 2.775 780 L HA 0.438 nan 4.340 nan 0.000 0.175 780 L C -0.203 176.698 176.870 0.052 0.000 1.110 780 L CA 0.680 55.530 54.840 0.017 0.000 0.862 780 L CB 1.651 43.691 42.059 -0.033 0.000 1.381 780 L HN 0.398 8.602 8.230 -0.043 0.000 0.499 781 L N -4.602 116.582 121.223 -0.065 0.000 2.299 781 L HA 0.400 nan 4.340 nan 0.000 0.268 781 L C -1.267 175.477 176.870 -0.209 0.000 1.012 781 L CA -1.787 53.024 54.840 -0.049 0.000 0.816 781 L CB 2.031 43.970 42.059 -0.200 0.000 1.355 781 L HN -0.795 7.360 8.230 -0.125 0.000 0.457 782 Q N -1.257 118.438 119.800 -0.175 0.000 2.380 782 Q HA 0.374 nan 4.340 nan 0.000 0.245 782 Q C -2.267 173.723 176.000 -0.017 0.000 0.893 782 Q CA -0.379 55.336 55.803 -0.147 0.000 0.922 782 Q CB 2.274 30.838 28.738 -0.290 0.000 1.432 782 Q HN 0.113 8.372 8.270 -0.018 0.000 0.434 783 V N 4.392 124.323 119.914 0.027 0.000 2.888 783 V HA 0.679 nan 4.120 nan 0.000 0.309 783 V C -0.174 175.927 176.094 0.011 0.000 1.114 783 V CA -1.568 60.718 62.300 -0.024 0.000 0.940 783 V CB 2.694 34.529 31.823 0.019 0.000 1.021 783 V HN 0.535 8.749 8.190 0.040 0.000 0.426 784 H N 4.363 123.504 119.070 0.118 0.000 1.452 784 H HA -0.436 nan 4.556 nan 0.000 0.090 784 H C 0.232 175.632 175.328 0.120 0.000 0.988 784 H CA 2.375 58.489 56.048 0.110 0.000 1.901 784 H CB -0.709 29.110 29.762 0.094 0.000 2.257 784 H HN 0.676 9.069 8.280 -0.354 -0.325 0.961 785 D N 2.894 123.471 120.400 0.294 0.000 2.738 785 D HA 0.190 nan 4.640 nan 0.000 0.246 785 D C -1.562 174.875 176.300 0.228 0.000 1.270 785 D CA -0.182 53.977 54.000 0.265 0.000 0.833 785 D CB -0.597 40.364 40.800 0.270 0.000 1.040 785 D HN 0.104 8.668 8.370 0.323 0.000 0.487 786 E N -0.342 119.959 120.200 0.169 0.000 2.277 786 E HA 0.835 nan 4.350 nan 0.000 0.266 786 E C -2.631 174.000 176.600 0.051 0.000 0.901 786 E CA -1.319 55.145 56.400 0.106 0.000 0.782 786 E CB 3.855 33.653 29.700 0.163 0.000 1.228 786 E HN 0.298 8.576 8.360 0.174 0.187 0.424 787 L N 3.523 124.747 121.223 0.001 0.000 2.408 787 L HA 0.624 nan 4.340 nan 0.000 0.268 787 L C -2.536 174.306 176.870 -0.047 0.000 0.986 787 L CA -0.988 53.825 54.840 -0.046 0.000 0.820 787 L CB 4.336 46.356 42.059 -0.064 0.000 1.303 787 L HN 0.154 8.378 8.230 -0.010 0.000 0.411 788 V N 4.744 124.600 119.914 -0.096 0.000 2.531 788 V HA 0.684 nan 4.120 nan 0.000 0.301 788 V C -1.482 174.556 176.094 -0.093 0.000 1.034 788 V CA -1.419 60.807 62.300 -0.123 0.000 0.865 788 V CB 1.704 33.336 31.823 -0.319 0.000 0.995 788 V HN -0.076 8.043 8.190 -0.119 0.000 0.424 789 L N 4.154 125.354 121.223 -0.038 0.000 2.322 789 L HA 0.893 nan 4.340 nan 0.000 0.269 789 L C -1.432 175.470 176.870 0.054 0.000 1.012 789 L CA -1.682 53.167 54.840 0.014 0.000 0.815 789 L CB 2.282 44.361 42.059 0.034 0.000 1.295 789 L HN 0.926 9.026 8.230 -0.029 0.112 0.438 790 E N 0.095 120.372 120.200 0.128 0.000 2.176 790 E HA 0.739 nan 4.350 nan 0.000 0.267 790 E C -2.326 174.572 176.600 0.497 0.000 0.893 790 E CA -1.664 54.889 56.400 0.255 0.000 0.761 790 E CB 3.471 33.233 29.700 0.104 0.000 1.133 790 E HN 0.716 9.046 8.360 0.130 0.107 0.409 791 A N 4.863 127.960 122.820 0.461 0.000 2.539 791 A HA 0.677 nan 4.320 nan 0.000 0.296 791 A C -3.618 173.790 177.584 -0.294 0.000 1.073 791 A CA -2.701 49.386 52.037 0.082 0.000 0.700 791 A CB 2.196 21.192 19.000 -0.008 0.000 1.296 791 A HN 0.813 9.188 8.150 0.375 0.000 0.405 792 P HA 0.058 nan 4.420 nan 0.000 0.269 792 P C 0.777 177.850 177.300 -0.377 0.000 1.209 792 P CA -0.226 62.323 63.100 -0.919 0.000 0.776 792 P CB -0.065 31.132 31.700 -0.838 0.000 0.876 793 K N 3.964 124.210 120.400 -0.258 0.000 2.184 793 K HA -0.480 nan 4.320 nan 0.000 0.216 793 K C 1.114 177.659 176.600 -0.091 0.000 0.756 793 K CA 3.018 59.236 56.287 -0.115 0.000 0.992 793 K CB -0.722 31.725 32.500 -0.087 0.000 0.669 793 K HN 0.477 8.550 8.250 -0.295 0.000 0.758 794 E N -4.696 115.447 120.200 -0.095 0.000 2.479 794 E HA 0.006 nan 4.350 nan 0.000 0.193 794 E C 1.814 178.365 176.600 -0.082 0.000 1.049 794 E CA -0.029 56.328 56.400 -0.071 0.000 0.870 794 E CB -0.429 29.238 29.700 -0.055 0.000 0.944 794 E HN 0.065 8.360 8.360 -0.108 0.000 0.492 795 R N 0.816 121.243 120.500 -0.122 0.000 2.115 795 R HA -0.247 nan 4.340 nan 0.000 0.230 795 R C 1.545 177.790 176.300 -0.093 0.000 1.111 795 R CA 2.092 58.118 56.100 -0.124 0.000 0.976 795 R CB -0.448 29.737 30.300 -0.192 0.000 0.870 795 R HN -0.234 7.784 8.270 -0.156 0.159 0.445 796 A N -1.152 121.616 122.820 -0.086 0.000 1.909 796 A HA -0.392 nan 4.320 nan 0.000 0.221 796 A C 2.137 179.702 177.584 -0.032 0.000 1.223 796 A CA 3.458 55.468 52.037 -0.046 0.000 0.658 796 A CB -1.024 17.960 19.000 -0.026 0.000 0.831 796 A HN 0.149 8.231 8.150 -0.114 -0.001 0.462 797 E N -1.800 118.380 120.200 -0.033 0.000 2.077 797 E HA -0.332 nan 4.350 nan 0.000 0.193 797 E C 2.268 178.852 176.600 -0.026 0.000 0.989 797 E CA 3.113 59.499 56.400 -0.024 0.000 0.800 797 E CB -0.728 28.959 29.700 -0.023 0.000 0.746 797 E HN -0.356 7.981 8.360 -0.039 0.000 0.452 798 A N -0.395 122.404 122.820 -0.035 0.000 1.855 798 A HA -0.180 nan 4.320 nan 0.000 0.215 798 A C 2.178 179.743 177.584 -0.033 0.000 1.191 798 A CA 3.058 55.075 52.037 -0.034 0.000 0.613 798 A CB -0.818 18.156 19.000 -0.043 0.000 0.829 798 A HN -0.456 7.669 8.150 -0.043 0.000 0.442 799 V N -0.377 119.514 119.914 -0.038 0.000 2.282 799 V HA -0.540 nan 4.120 nan 0.000 0.249 799 V C 1.978 178.059 176.094 -0.022 0.000 1.057 799 V CA 4.248 66.529 62.300 -0.032 0.000 1.032 799 V CB -1.462 30.340 31.823 -0.034 0.000 0.645 799 V HN 0.221 8.383 8.190 -0.047 0.000 0.447 800 A N -1.665 121.143 122.820 -0.019 0.000 1.883 800 A HA -0.395 nan 4.320 nan 0.000 0.217 800 A C 1.996 179.569 177.584 -0.019 0.000 1.186 800 A CA 3.456 55.484 52.037 -0.016 0.000 0.624 800 A CB -0.784 18.210 19.000 -0.010 0.000 0.822 800 A HN 0.559 8.585 8.150 -0.020 0.112 0.444 801 R N -1.725 118.764 120.500 -0.018 0.000 2.070 801 R HA -0.344 nan 4.340 nan 0.000 0.233 801 R C 2.211 178.501 176.300 -0.016 0.000 1.137 801 R CA 3.198 59.289 56.100 -0.016 0.000 0.945 801 R CB -0.134 30.157 30.300 -0.014 0.000 0.845 801 R HN -0.532 7.727 8.270 -0.018 0.000 0.430 802 L N -0.589 120.623 121.223 -0.018 0.000 2.013 802 L HA -0.424 nan 4.340 nan 0.000 0.212 802 L C 1.392 178.253 176.870 -0.014 0.000 1.073 802 L CA 3.165 57.995 54.840 -0.016 0.000 0.753 802 L CB -0.260 41.786 42.059 -0.021 0.000 0.890 802 L HN 0.176 8.394 8.230 -0.020 0.000 0.432 803 A N -1.949 120.859 122.820 -0.020 0.000 1.865 803 A HA -0.464 nan 4.320 nan 0.000 0.217 803 A C 1.485 179.047 177.584 -0.037 0.000 1.191 803 A CA 3.334 55.355 52.037 -0.026 0.000 0.623 803 A CB -1.141 17.841 19.000 -0.030 0.000 0.826 803 A HN 0.220 8.358 8.150 -0.021 0.000 0.444 804 K N -1.374 119.002 120.400 -0.039 0.000 2.020 804 K HA -0.431 nan 4.320 nan 0.000 0.212 804 K C 2.188 178.776 176.600 -0.020 0.000 1.050 804 K CA 3.503 59.763 56.287 -0.045 0.000 0.929 804 K CB -0.044 32.437 32.500 -0.032 0.000 0.714 804 K HN -0.222 8.008 8.250 -0.034 0.000 0.443 805 E N -0.815 119.382 120.200 -0.006 0.000 2.023 805 E HA -0.368 nan 4.350 nan 0.000 0.196 805 E C 2.365 178.980 176.600 0.025 0.000 1.003 805 E CA 3.230 59.636 56.400 0.010 0.000 0.809 805 E CB -0.326 29.378 29.700 0.007 0.000 0.755 805 E HN -0.220 8.134 8.360 -0.010 0.000 0.449 806 V N 0.382 120.309 119.914 0.021 0.000 2.231 806 V HA -0.407 nan 4.120 nan 0.000 0.250 806 V C 1.699 177.834 176.094 0.067 0.000 1.058 806 V CA 3.922 66.246 62.300 0.040 0.000 1.022 806 V CB -0.759 31.082 31.823 0.029 0.000 0.640 806 V HN -0.039 8.156 8.190 0.009 0.000 0.445 807 M N -3.117 116.508 119.600 0.042 0.000 2.065 807 M HA -0.376 nan 4.480 nan 0.000 0.259 807 M C 2.414 178.831 176.300 0.195 0.000 1.069 807 M CA 3.086 58.434 55.300 0.081 0.000 1.110 807 M CB 0.250 32.757 32.600 -0.156 0.000 1.328 807 M HN -0.212 8.079 8.290 0.002 0.000 0.405 808 E N 0.374 120.641 120.200 0.113 0.000 2.097 808 E HA -0.325 nan 4.350 nan 0.000 0.196 808 E C 1.572 178.247 176.600 0.126 0.000 1.000 808 E CA 2.581 59.063 56.400 0.137 0.000 0.804 808 E CB 0.075 29.814 29.700 0.065 0.000 0.740 808 E HN 0.210 8.488 8.360 0.041 0.107 0.454 809 G N -3.543 105.316 108.800 0.099 0.000 3.609 809 G HA2 0.172 nan 3.960 nan 0.000 0.280 809 G HA3 0.172 nan 3.960 nan 0.000 0.280 809 G C -0.190 174.780 174.900 0.117 0.000 1.155 809 G CA -0.788 44.363 45.100 0.085 0.000 0.876 809 G HN -0.212 8.127 8.290 0.082 0.000 0.535 810 V N 0.434 120.449 119.914 0.169 0.000 2.219 810 V HA -0.248 nan 4.120 nan 0.000 0.248 810 V C -1.444 174.820 176.094 0.284 0.000 1.053 810 V CA 3.041 65.468 62.300 0.212 0.000 1.009 810 V CB 0.514 32.480 31.823 0.239 0.000 0.636 810 V HN -0.578 7.559 8.190 0.190 0.168 0.445 811 Y N -3.073 117.303 120.300 0.127 0.000 2.457 811 Y HA 0.475 nan 4.550 nan 0.000 0.343 811 Y C -2.886 173.035 175.900 0.034 0.000 0.994 811 Y CA -3.847 54.332 58.100 0.132 0.000 1.031 811 Y CB 2.412 41.042 38.460 0.283 0.000 1.246 811 Y HN -0.103 8.350 8.280 0.287 0.000 0.449 812 P HA 0.068 nan 4.420 nan 0.000 0.267 812 P C -1.836 175.225 177.300 -0.397 0.000 1.209 812 P CA 0.165 63.011 63.100 -0.424 0.000 0.763 812 P CB 0.283 31.709 31.700 -0.457 0.000 0.816 813 L N 1.745 122.849 121.223 -0.199 0.000 2.350 813 L HA 0.243 nan 4.340 nan 0.000 0.260 813 L C -0.281 176.606 176.870 0.029 0.000 1.015 813 L CA -1.125 53.588 54.840 -0.212 0.000 0.821 813 L CB 3.478 45.381 42.059 -0.260 0.000 1.370 813 L HN -0.385 7.769 8.230 -0.127 0.000 0.416 814 A N 3.393 126.396 122.820 0.305 0.000 1.849 814 A HA -0.193 nan 4.320 nan 0.000 0.217 814 A C 0.081 177.737 177.584 0.120 0.000 1.202 814 A CA 2.622 54.785 52.037 0.210 0.000 0.629 814 A CB -0.026 19.104 19.000 0.218 0.000 0.834 814 A HN 0.186 8.781 8.150 0.743 0.000 0.447 815 V N -5.945 114.045 119.914 0.125 0.000 2.785 815 V HA 0.335 nan 4.120 nan 0.000 0.300 815 V C -2.026 174.088 176.094 0.033 0.000 1.062 815 V CA -3.853 58.511 62.300 0.107 0.000 1.029 815 V CB -0.725 31.201 31.823 0.171 0.000 1.024 815 V HN -0.035 8.250 8.190 0.158 0.000 0.477 816 P HA 0.042 nan 4.420 nan 0.000 0.272 816 P C -1.498 175.774 177.300 -0.047 0.000 1.230 816 P CA -0.412 62.689 63.100 0.003 0.000 0.788 816 P CB 0.925 32.642 31.700 0.029 0.000 0.949 817 L N 0.686 121.901 121.223 -0.012 0.000 2.280 817 L HA 0.251 nan 4.340 nan 0.000 0.287 817 L C -0.951 175.958 176.870 0.064 0.000 1.023 817 L CA -1.412 53.436 54.840 0.012 0.000 0.819 817 L CB 0.925 43.030 42.059 0.077 0.000 1.212 817 L HN 0.212 8.450 8.230 0.012 0.000 0.420 818 E N 4.918 125.151 120.200 0.055 0.000 2.151 818 E HA 0.231 nan 4.350 nan 0.000 0.275 818 E C -1.690 174.969 176.600 0.098 0.000 0.936 818 E CA -1.610 54.825 56.400 0.058 0.000 0.777 818 E CB 1.938 31.648 29.700 0.016 0.000 1.108 818 E HN 0.161 8.526 8.360 0.010 0.000 0.401 819 V N 6.528 126.462 119.914 0.033 0.000 2.334 819 V HA 0.377 nan 4.120 nan 0.000 0.281 819 V C -1.781 174.290 176.094 -0.039 0.000 1.016 819 V CA -1.299 60.964 62.300 -0.061 0.000 0.832 819 V CB 1.086 32.811 31.823 -0.163 0.000 0.999 819 V HN 0.692 9.222 8.190 0.025 -0.324 0.439 820 E N 8.155 128.340 120.200 -0.025 0.000 2.130 820 E HA 0.428 nan 4.350 nan 0.000 0.284 820 E C -1.984 174.606 176.600 -0.018 0.000 1.018 820 E CA -0.827 55.568 56.400 -0.008 0.000 0.817 820 E CB 2.048 31.755 29.700 0.012 0.000 1.078 820 E HN 0.767 9.008 8.360 -0.029 0.102 0.396 821 V N -0.192 119.713 119.914 -0.014 0.000 2.630 821 V HA 0.869 nan 4.120 nan 0.000 0.305 821 V C -0.994 175.104 176.094 0.008 0.000 1.046 821 V CA -3.474 58.821 62.300 -0.009 0.000 0.934 821 V CB 1.840 33.653 31.823 -0.018 0.000 1.003 821 V HN 0.207 8.391 8.190 -0.009 0.000 0.451 822 G N 2.838 111.651 108.800 0.021 0.000 2.638 822 G HA2 0.566 nan 3.960 nan 0.000 0.302 822 G HA3 0.566 nan 3.960 nan 0.000 0.302 822 G C -2.642 172.281 174.900 0.040 0.000 1.365 822 G CA -1.081 44.038 45.100 0.031 0.000 0.987 822 G HN 0.576 8.881 8.290 0.025 0.000 0.495 823 I N 1.140 121.731 120.570 0.036 0.000 2.436 823 I HA 0.627 nan 4.170 nan 0.000 0.289 823 I C -0.533 175.612 176.117 0.046 0.000 1.010 823 I CA -1.334 59.990 61.300 0.039 0.000 1.098 823 I CB 2.268 40.283 38.000 0.025 0.000 1.266 823 I HN 0.177 8.405 8.210 0.029 0.000 0.434 824 G N 5.491 114.328 108.800 0.061 0.000 2.663 824 G HA2 0.380 nan 3.960 nan 0.000 0.299 824 G HA3 0.380 nan 3.960 nan 0.000 0.299 824 G C -2.004 172.939 174.900 0.072 0.000 1.372 824 G CA 0.324 45.461 45.100 0.062 0.000 0.781 824 G HN 0.605 8.825 8.290 0.068 0.111 0.491 825 E N -2.729 117.510 120.200 0.064 0.000 2.166 825 E HA -0.025 nan 4.350 nan 0.000 0.192 825 E C -0.577 176.068 176.600 0.075 0.000 0.967 825 E CA 1.508 57.948 56.400 0.066 0.000 0.840 825 E CB 1.115 30.844 29.700 0.048 0.000 0.795 825 E HN 0.477 8.870 8.360 0.055 0.000 0.470 826 D N -4.018 116.429 120.400 0.078 0.000 2.350 826 D HA 0.254 nan 4.640 nan 0.000 0.238 826 D C 0.396 176.817 176.300 0.202 0.000 0.989 826 D CA -1.841 52.225 54.000 0.110 0.000 0.921 826 D CB 2.089 42.908 40.800 0.032 0.000 1.297 826 D HN -0.686 7.724 8.370 0.066 0.000 0.490 827 W N 2.054 123.376 121.300 0.038 0.000 2.305 827 W HA -0.395 nan 4.660 nan 0.000 0.308 827 W C 1.028 177.536 176.519 -0.018 0.000 1.226 827 W CA 3.165 60.517 57.345 0.013 0.000 1.253 827 W CB 0.056 29.513 29.460 -0.004 0.000 1.146 827 W HN 0.848 9.262 8.180 0.389 0.000 0.507 828 L N -2.505 118.784 121.223 0.110 0.000 2.191 828 L HA -0.293 nan 4.340 nan 0.000 0.212 828 L C 2.086 178.963 176.870 0.011 0.000 1.103 828 L CA 2.753 57.568 54.840 -0.042 0.000 0.769 828 L CB -0.378 41.636 42.059 -0.075 0.000 0.908 828 L HN -0.478 7.905 8.230 0.145 -0.066 0.438 829 S N -0.483 115.250 115.700 0.056 0.000 2.368 829 S HA -0.289 nan 4.470 nan 0.000 0.224 829 S C 0.766 175.403 174.600 0.062 0.000 1.029 829 S CA 2.704 60.933 58.200 0.047 0.000 0.988 829 S CB 0.258 63.489 63.200 0.052 0.000 0.838 829 S HN -0.087 8.273 8.310 0.084 -0.000 0.462 830 A N -1.385 121.501 122.820 0.110 0.000 1.930 830 A HA -0.088 nan 4.320 nan 0.000 0.215 830 A C 0.628 178.266 177.584 0.090 0.000 1.176 830 A CA 1.732 53.836 52.037 0.112 0.000 0.632 830 A CB 0.192 19.290 19.000 0.164 0.000 0.819 830 A HN -0.650 7.590 8.150 0.150 0.000 0.445 831 K N -5.022 115.425 120.400 0.078 0.000 9.188 831 K HA -0.422 nan 4.320 nan 0.000 0.503 831 K C -0.479 176.119 176.600 -0.003 0.000 0.367 831 K CA 2.573 58.853 56.287 -0.011 0.000 1.958 831 K CB -0.948 31.540 32.500 -0.019 0.000 0.698 831 K HN 0.403 8.678 8.250 0.123 0.048 1.029 832 E N 0.000 120.226 120.200 0.043 0.000 2.725 832 E HA 0.000 nan 4.350 nan 0.000 0.291 832 E CA 0.000 56.433 56.400 0.055 0.000 0.976 832 E CB 0.000 29.713 29.700 0.022 0.000 0.812 832 E HN 0.000 8.334 8.360 0.045 0.053 0.440