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 3n8x_1_B DATA FIRST_RESID 32 DATA SEQUENCE PVNPccYYPc QHQGIcVRFG LDRYQcDcTR TGYSGPNcTI PEIWTWLRTT DATA SEQUENCE LRPSPSFIHF LLTHGRWLWD FVNATFIRDT LMRLVLTVRS NLIPSPPTYN DATA SEQUENCE IAHDYISWES FSNVSYYTRI LPSVPRDcPT PMGTKGKKQL PDAEFLSRRF DATA SEQUENCE LLRRKFIPDP QGTNLMFAFF AQHFTHQFFK TSGKMGPGFT KALGHGVDLG DATA SEQUENCE HIYGDNLERQ YQLRLFKDGK LKYQMLNGEV YPPSVEEAPV LMHYPRGIPP DATA SEQUENCE QSQMAVGQEV FGLLPGLMLY ATIWLREHNR VCDLLKAEHP TWGDEQLFQT DATA SEQUENCE ARLILIGETI KIVIEEYVQQ LSGYFLQLKF DPELLFGAQF QYRNRIAMEF DATA SEQUENCE NQLYHWHPLM PDSFRVGPQD YSYEQFLFNT SMLVDYGVEA LVDAFSRQPA DATA SEQUENCE GRIGGGRNID HHILHVAVDV IKESRVLRLQ PFNEYRKRFG MKPYTSFQEL DATA SEQUENCE TGEKEMAAEL EELYGDIDAL EFYPGLLLEK CHPNSIFGES MIEMGAPFSL DATA SEQUENCE KGLLGNPICS PEYWKASTFG GEVGFNLVKT ATLKKLVcLN TKTcPYVSFH DATA SEQUENCE VPD 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 32 P HA 0.000 nan 4.420 nan 0.000 0.216 32 P C 0.000 177.320 177.300 0.034 0.000 1.155 32 P CA 0.000 63.120 63.100 0.034 0.000 0.800 32 P CB 0.000 31.725 31.700 0.042 0.000 0.726 33 V N 0.036 119.973 119.914 0.039 0.000 2.953 33 V HA 0.134 4.255 4.120 0.001 0.000 0.304 33 V C 0.478 176.594 176.094 0.036 0.000 1.138 33 V CA -0.041 62.276 62.300 0.029 0.000 1.266 33 V CB 0.204 32.055 31.823 0.046 0.000 0.923 33 V HN 0.760 nan 8.190 nan 0.000 0.505 34 N N 6.418 125.114 118.700 -0.006 0.000 2.405 34 N HA 0.317 5.058 4.740 0.001 0.000 0.260 34 N C -1.088 174.417 175.510 -0.008 0.000 1.152 34 N CA -2.040 51.003 53.050 -0.011 0.000 0.948 34 N CB 1.128 39.586 38.487 -0.048 0.000 1.111 34 N HN 0.541 nan 8.380 nan 0.000 0.485 35 P HA -0.143 nan 4.420 nan 0.000 0.215 35 P C 1.079 178.292 177.300 -0.145 0.000 1.157 35 P CA 1.071 64.190 63.100 0.032 0.000 0.868 35 P CB -0.037 31.712 31.700 0.081 0.000 0.788 36 c N -0.825 117.668 118.600 -0.178 0.000 2.400 36 c HA -0.125 4.446 4.570 0.001 0.000 0.291 36 c C 3.064 176.955 174.090 -0.331 0.000 1.372 36 c CA 0.690 56.882 56.329 -0.229 0.000 1.800 36 c CB -2.415 40.025 42.510 -0.117 0.000 1.869 36 c HN 0.382 nan 8.230 nan 0.000 0.533 37 c N -0.653 117.745 118.600 -0.336 0.000 2.491 37 c HA -0.000 4.571 4.570 0.001 0.000 0.277 37 c C 2.054 175.671 174.090 -0.789 0.000 1.455 37 c CA 0.405 56.402 56.329 -0.553 0.000 1.758 37 c CB -1.603 40.666 42.510 -0.401 0.000 1.745 37 c HN 0.718 nan 8.230 nan 0.000 0.558 38 Y N -0.963 119.044 120.300 -0.490 0.000 2.490 38 Y HA 0.145 4.696 4.550 0.001 0.000 0.281 38 Y C 0.590 176.329 175.900 -0.268 0.000 1.174 38 Y CA 0.228 58.121 58.100 -0.345 0.000 1.295 38 Y CB -0.465 37.865 38.460 -0.216 0.000 1.062 38 Y HN 0.364 nan 8.280 nan 0.000 0.522 39 Y N -1.953 118.326 120.300 -0.035 0.000 2.988 39 Y HA -0.226 4.325 4.550 0.001 0.000 0.193 39 Y C -2.105 173.742 175.900 -0.087 0.000 1.388 39 Y CA -0.879 57.173 58.100 -0.080 0.000 0.904 39 Y CB -1.871 36.538 38.460 -0.084 0.000 1.297 39 Y HN 0.175 nan 8.280 nan 0.000 0.432 40 P HA -0.064 nan 4.420 nan 0.000 0.219 40 P C 0.203 177.510 177.300 0.012 0.000 1.150 40 P CA 1.253 64.307 63.100 -0.076 0.000 0.814 40 P CB 0.294 31.776 31.700 -0.363 0.000 0.787 41 c N 2.368 120.983 118.600 0.024 0.000 2.416 41 c HA 0.265 4.836 4.570 0.001 0.000 0.355 41 c C 0.667 174.735 174.090 -0.037 0.000 1.211 41 c CA -0.773 55.581 56.329 0.042 0.000 1.699 41 c CB -1.399 41.158 42.510 0.078 0.000 2.310 41 c HN 0.250 nan 8.230 nan 0.000 0.539 42 Q N 0.802 120.541 119.800 -0.103 0.000 2.260 42 Q HA 0.233 4.574 4.340 0.001 0.000 0.238 42 Q C 0.514 176.347 176.000 -0.278 0.000 0.948 42 Q CA -0.203 55.414 55.803 -0.309 0.000 0.895 42 Q CB 0.341 28.785 28.738 -0.489 0.000 1.218 42 Q HN 0.942 nan 8.270 nan 0.000 0.470 43 H N 0.411 119.350 119.070 -0.218 0.000 2.936 43 H HA -0.221 4.336 4.556 0.001 0.000 0.276 43 H C -0.142 175.134 175.328 -0.087 0.000 1.216 43 H CA 0.819 56.739 56.048 -0.214 0.000 1.132 43 H CB -1.179 28.284 29.762 -0.497 0.000 1.303 43 H HN 0.747 nan 8.280 nan 0.000 0.370 44 Q N -3.303 116.490 119.800 -0.013 0.000 2.376 44 Q HA -0.119 4.221 4.340 0.001 0.000 0.187 44 Q C 1.018 177.044 176.000 0.044 0.000 0.603 44 Q CA 0.604 56.410 55.803 0.006 0.000 1.346 44 Q CB -1.365 27.378 28.738 0.008 0.000 1.243 44 Q HN 0.714 nan 8.270 nan 0.000 0.930 45 G N 0.990 109.821 108.800 0.053 0.000 2.432 45 G HA2 0.342 4.303 3.960 0.001 0.000 0.239 45 G HA3 0.342 4.303 3.960 0.001 0.000 0.239 45 G C 0.136 175.086 174.900 0.084 0.000 1.291 45 G CA -0.259 44.888 45.100 0.079 0.000 0.863 45 G HN 0.146 nan 8.290 nan 0.000 0.560 46 I N 1.516 122.151 120.570 0.109 0.000 2.312 46 I HA 0.142 4.312 4.170 0.001 0.000 0.291 46 I C 0.739 176.937 176.117 0.135 0.000 1.031 46 I CA -1.217 60.156 61.300 0.121 0.000 1.293 46 I CB 0.572 38.662 38.000 0.151 0.000 1.403 46 I HN 0.346 nan 8.210 nan 0.000 0.484 47 c N 7.893 126.560 118.600 0.111 0.000 2.576 47 c HA 0.551 5.122 4.570 0.001 0.000 0.401 47 c C 0.332 174.512 174.090 0.149 0.000 1.314 47 c CA 0.000 56.415 56.329 0.143 0.000 1.855 47 c CB -0.403 42.136 42.510 0.049 0.000 2.537 47 c HN 0.591 nan 8.230 nan 0.000 0.578 48 V N 7.454 127.511 119.914 0.239 0.000 2.709 48 V HA 0.487 4.608 4.120 0.001 0.000 0.308 48 V C -0.012 176.229 176.094 0.245 0.000 1.062 48 V CA -0.661 61.749 62.300 0.184 0.000 0.901 48 V CB 1.901 33.830 31.823 0.177 0.000 1.003 48 V HN 0.858 nan 8.190 nan 0.000 0.425 49 R N 2.604 123.142 120.500 0.063 0.000 2.340 49 R HA 0.561 4.901 4.340 0.001 0.000 0.300 49 R C -1.561 174.681 176.300 -0.096 0.000 1.069 49 R CA 0.045 56.190 56.100 0.074 0.000 0.984 49 R CB 0.586 30.891 30.300 0.008 0.000 1.003 49 R HN 0.560 nan 8.270 nan 0.000 0.459 50 F N 2.432 122.407 119.950 0.043 0.000 2.547 50 F HA 0.386 4.914 4.527 0.001 0.000 0.316 50 F C 1.030 176.839 175.800 0.014 0.000 1.121 50 F CA 0.311 58.321 58.000 0.016 0.000 0.911 50 F CB 2.190 41.192 39.000 0.002 0.000 1.179 50 F HN 0.840 nan 8.300 nan 0.000 0.443 51 G N 2.848 111.735 108.800 0.146 0.000 2.582 51 G HA2 -0.325 3.636 3.960 0.001 0.000 0.288 51 G HA3 -0.325 3.636 3.960 0.001 0.000 0.288 51 G C 0.818 175.758 174.900 0.067 0.000 1.247 51 G CA 0.509 45.665 45.100 0.092 0.000 0.972 51 G HN 0.652 nan 8.290 nan 0.000 0.557 52 L N 0.735 121.995 121.223 0.062 0.000 2.049 52 L HA 0.216 4.557 4.340 0.001 0.000 0.203 52 L C 2.016 178.923 176.870 0.061 0.000 1.074 52 L CA 2.148 57.017 54.840 0.049 0.000 0.749 52 L CB -0.241 41.842 42.059 0.040 0.000 0.907 52 L HN 0.776 nan 8.230 nan 0.000 0.439 53 D N -2.722 117.726 120.400 0.080 0.000 2.583 53 D HA 0.058 4.699 4.640 0.001 0.000 0.282 53 D C 0.367 176.748 176.300 0.136 0.000 1.485 53 D CA -0.335 53.723 54.000 0.097 0.000 0.834 53 D CB 0.093 40.939 40.800 0.077 0.000 1.258 53 D HN 0.047 nan 8.370 nan 0.000 0.470 54 R N 0.231 120.814 120.500 0.140 0.000 2.577 54 R HA 0.575 4.916 4.340 0.001 0.000 0.269 54 R C -0.382 176.074 176.300 0.261 0.000 1.084 54 R CA -0.590 55.594 56.100 0.141 0.000 1.163 54 R CB 0.722 31.064 30.300 0.071 0.000 1.100 54 R HN 0.225 nan 8.270 nan 0.000 0.547 55 Y N -2.115 118.244 120.300 0.099 0.000 2.669 55 Y HA 0.536 5.087 4.550 0.001 0.000 0.335 55 Y C -1.276 174.685 175.900 0.102 0.000 1.116 55 Y CA -1.246 56.945 58.100 0.152 0.000 1.081 55 Y CB 1.728 40.249 38.460 0.102 0.000 1.297 55 Y HN 0.395 nan 8.280 nan 0.000 0.484 56 Q N 0.793 120.685 119.800 0.154 0.000 2.309 56 Q HA 0.536 4.876 4.340 0.001 0.000 0.273 56 Q C -1.848 174.269 176.000 0.195 0.000 1.040 56 Q CA -0.835 54.931 55.803 -0.063 0.000 0.834 56 Q CB 2.869 31.469 28.738 -0.231 0.000 1.345 56 Q HN 0.877 nan 8.270 nan 0.000 0.414 57 c N 1.363 120.045 118.600 0.136 0.000 2.350 57 c HA 0.358 4.929 4.570 0.001 0.000 0.348 57 c C -0.014 174.143 174.090 0.110 0.000 1.260 57 c CA -0.420 56.014 56.329 0.175 0.000 1.966 57 c CB 0.425 43.043 42.510 0.180 0.000 2.380 57 c HN 0.704 nan 8.230 nan 0.000 0.535 58 D N 1.463 121.937 120.400 0.123 0.000 2.396 58 D HA 0.265 4.906 4.640 0.001 0.000 0.225 58 D C 0.417 176.772 176.300 0.092 0.000 1.121 58 D CA -0.345 53.713 54.000 0.098 0.000 0.853 58 D CB 0.553 41.419 40.800 0.109 0.000 1.043 58 D HN 0.604 nan 8.370 nan 0.000 0.500 59 c N 2.385 121.035 118.600 0.083 0.000 2.618 59 c HA 0.122 4.693 4.570 0.001 0.000 0.264 59 c C 0.796 174.938 174.090 0.086 0.000 1.334 59 c CA -0.228 56.159 56.329 0.097 0.000 1.731 59 c CB -1.433 41.142 42.510 0.109 0.000 1.852 59 c HN 0.615 nan 8.230 nan 0.000 0.566 60 T N 1.941 116.534 114.554 0.065 0.000 2.581 60 T HA -0.140 4.210 4.350 0.001 0.000 0.227 60 T C 0.906 175.637 174.700 0.051 0.000 1.023 60 T CA 0.834 62.964 62.100 0.050 0.000 1.158 60 T CB -0.155 68.740 68.868 0.044 0.000 1.013 60 T HN 0.645 nan 8.240 nan 0.000 0.462 61 R N 1.141 121.664 120.500 0.039 0.000 3.722 61 R HA -0.221 4.120 4.340 0.001 0.000 0.284 61 R C 1.234 177.563 176.300 0.049 0.000 1.165 61 R CA 1.139 57.258 56.100 0.032 0.000 0.779 61 R CB -2.018 28.293 30.300 0.018 0.000 1.179 61 R HN 0.740 nan 8.270 nan 0.000 0.491 62 T N -1.786 112.818 114.554 0.084 0.000 3.054 62 T HA 0.154 4.505 4.350 0.001 0.000 0.259 62 T C 1.481 176.279 174.700 0.163 0.000 1.092 62 T CA 1.032 63.219 62.100 0.145 0.000 1.121 62 T CB 0.525 69.517 68.868 0.207 0.000 0.912 62 T HN 0.680 nan 8.240 nan 0.000 0.489 63 G N 0.266 109.101 108.800 0.058 0.000 2.195 63 G HA2 -0.225 3.735 3.960 0.001 0.000 0.246 63 G HA3 -0.225 3.735 3.960 0.001 0.000 0.246 63 G C -0.107 174.626 174.900 -0.279 0.000 0.984 63 G CA -0.118 44.919 45.100 -0.105 0.000 0.633 63 G HN 0.523 nan 8.290 nan 0.000 0.525 64 Y N 0.534 120.816 120.300 -0.029 0.000 2.602 64 Y HA 0.727 5.278 4.550 0.001 0.000 0.342 64 Y C 0.647 176.553 175.900 0.010 0.000 1.029 64 Y CA -0.176 57.913 58.100 -0.019 0.000 1.080 64 Y CB 2.248 40.699 38.460 -0.014 0.000 1.284 64 Y HN 0.564 nan 8.280 nan 0.000 0.485 65 S N -0.273 115.540 115.700 0.189 0.000 2.840 65 S HA 0.955 5.425 4.470 0.001 0.000 0.307 65 S C -0.226 174.441 174.600 0.112 0.000 1.180 65 S CA -0.316 57.951 58.200 0.112 0.000 0.846 65 S CB 1.574 64.805 63.200 0.052 0.000 1.233 65 S HN 1.823 nan 8.310 nan 0.000 0.548 66 G N 0.460 109.297 108.800 0.062 0.000 2.592 66 G HA2 0.067 4.027 3.960 0.001 0.000 0.684 66 G HA3 0.067 4.027 3.960 0.001 0.000 0.684 66 G C -2.551 172.367 174.900 0.029 0.000 1.291 66 G CA -0.221 44.906 45.100 0.046 0.000 0.891 66 G HN 0.678 nan 8.290 nan 0.000 0.544 67 P HA 0.066 nan 4.420 nan 0.000 0.221 67 P C 1.089 178.419 177.300 0.049 0.000 1.150 67 P CA 1.318 64.403 63.100 -0.026 0.000 0.800 67 P CB 0.093 31.756 31.700 -0.062 0.000 0.787 68 N N -2.338 116.414 118.700 0.086 0.000 2.200 68 N HA 0.080 4.821 4.740 0.001 0.000 0.224 68 N C -0.514 175.047 175.510 0.085 0.000 1.179 68 N CA -0.062 53.058 53.050 0.116 0.000 0.877 68 N CB -0.366 38.183 38.487 0.103 0.000 1.072 68 N HN -0.033 nan 8.380 nan 0.000 0.519 69 c N 0.722 119.385 118.600 0.105 0.000 4.209 69 c HA -0.107 4.464 4.570 0.001 0.000 0.305 69 c C 1.519 175.678 174.090 0.115 0.000 1.339 69 c CA 0.929 57.344 56.329 0.144 0.000 2.062 69 c CB -3.120 39.463 42.510 0.121 0.000 1.307 69 c HN 0.583 nan 8.230 nan 0.000 0.706 70 T N -4.306 110.354 114.554 0.177 0.000 3.003 70 T HA 0.348 4.699 4.350 0.001 0.000 0.261 70 T C 0.288 175.224 174.700 0.393 0.000 1.003 70 T CA -0.096 62.134 62.100 0.217 0.000 0.917 70 T CB 0.432 69.381 68.868 0.136 0.000 1.084 70 T HN 0.544 nan 8.240 nan 0.000 0.522 71 I N 4.816 125.588 120.570 0.336 0.000 2.281 71 I HA 0.343 4.513 4.170 0.001 0.000 0.293 71 I C -2.532 173.668 176.117 0.138 0.000 1.085 71 I CA -2.652 58.771 61.300 0.205 0.000 1.257 71 I CB 0.502 38.561 38.000 0.098 0.000 1.430 71 I HN 0.028 nan 8.210 nan 0.000 0.489 72 P HA 0.249 nan 4.420 nan 0.000 0.279 72 P C -0.180 176.991 177.300 -0.214 0.000 1.239 72 P CA -0.330 62.528 63.100 -0.405 0.000 0.789 72 P CB 1.183 32.702 31.700 -0.301 0.000 0.933 73 E N 0.922 120.973 120.200 -0.249 0.000 2.391 73 E HA 0.056 4.407 4.350 0.001 0.000 0.255 73 E C 1.339 177.894 176.600 -0.075 0.000 1.187 73 E CA -0.393 55.930 56.400 -0.129 0.000 0.941 73 E CB 0.392 30.025 29.700 -0.111 0.000 1.010 73 E HN 0.364 nan 8.360 nan 0.000 0.458 74 I N 1.176 121.717 120.570 -0.049 0.000 2.118 74 I HA -0.317 3.854 4.170 0.001 0.000 0.241 74 I C 2.338 178.496 176.117 0.068 0.000 1.070 74 I CA 2.569 63.865 61.300 -0.006 0.000 1.327 74 I CB -0.243 37.742 38.000 -0.026 0.000 1.034 74 I HN 0.743 nan 8.210 nan 0.000 0.405 75 W N -0.183 121.129 121.300 0.021 0.000 2.425 75 W HA -0.143 4.518 4.660 0.001 0.000 0.277 75 W C 2.574 179.096 176.519 0.004 0.000 1.231 75 W CA 1.472 58.831 57.345 0.024 0.000 1.248 75 W CB -1.966 27.494 29.460 -0.000 0.000 1.117 75 W HN 0.261 nan 8.180 nan 0.000 0.568 76 T N -1.235 113.288 114.554 -0.051 0.000 2.770 76 T HA -0.157 4.194 4.350 0.001 0.000 0.263 76 T C 1.613 176.273 174.700 -0.067 0.000 1.039 76 T CA 1.539 63.560 62.100 -0.132 0.000 1.142 76 T CB -0.811 67.838 68.868 -0.365 0.000 0.868 76 T HN 0.602 nan 8.240 nan 0.000 0.435 77 W N 2.226 123.410 121.300 -0.194 0.000 2.335 77 W HA -0.123 4.538 4.660 0.001 0.000 0.311 77 W C 1.963 178.437 176.519 -0.075 0.000 1.213 77 W CA 0.700 57.971 57.345 -0.123 0.000 1.274 77 W CB -0.589 28.810 29.460 -0.102 0.000 1.148 77 W HN 0.060 nan 8.180 nan 0.000 0.498 78 L N 1.826 123.156 121.223 0.178 0.000 1.997 78 L HA -0.316 4.024 4.340 0.001 0.000 0.216 78 L C 2.635 179.399 176.870 -0.177 0.000 1.074 78 L CA 3.447 58.269 54.840 -0.030 0.000 0.763 78 L CB -1.832 40.286 42.059 0.098 0.000 0.890 78 L HN 0.282 nan 8.230 nan 0.000 0.434 79 R N -0.113 120.327 120.500 -0.101 0.000 2.082 79 R HA -0.201 4.140 4.340 0.001 0.000 0.234 79 R C 2.168 178.391 176.300 -0.129 0.000 1.136 79 R CA 2.459 58.505 56.100 -0.090 0.000 0.935 79 R CB -2.393 27.875 30.300 -0.054 0.000 0.842 79 R HN 0.752 nan 8.270 nan 0.000 0.430 80 T N -2.131 112.331 114.554 -0.154 0.000 3.072 80 T HA -0.128 4.223 4.350 0.001 0.000 0.266 80 T C 1.979 176.561 174.700 -0.197 0.000 1.127 80 T CA 1.875 63.897 62.100 -0.130 0.000 1.107 80 T CB -0.395 68.430 68.868 -0.073 0.000 0.910 80 T HN 0.652 nan 8.240 nan 0.000 0.513 81 T N -0.263 114.087 114.554 -0.340 0.000 2.983 81 T HA 0.211 4.562 4.350 0.001 0.000 0.250 81 T C 1.695 176.242 174.700 -0.255 0.000 1.037 81 T CA -0.030 61.851 62.100 -0.365 0.000 1.142 81 T CB -0.632 67.856 68.868 -0.634 0.000 0.876 81 T HN 0.218 nan 8.240 nan 0.000 0.455 82 L N 1.230 122.314 121.223 -0.232 0.000 2.622 82 L HA 0.285 4.626 4.340 0.001 0.000 0.233 82 L C 1.405 178.225 176.870 -0.083 0.000 1.156 82 L CA 0.519 55.276 54.840 -0.138 0.000 0.866 82 L CB -0.555 41.440 42.059 -0.106 0.000 0.980 82 L HN 0.252 nan 8.230 nan 0.000 0.448 83 R N 1.692 122.141 120.500 -0.084 0.000 2.221 83 R HA 0.254 4.595 4.340 0.001 0.000 0.327 83 R C -2.278 174.006 176.300 -0.025 0.000 1.033 83 R CA -1.596 54.485 56.100 -0.031 0.000 0.887 83 R CB 0.633 30.920 30.300 -0.021 0.000 1.057 83 R HN -0.049 nan 8.270 nan 0.000 0.455 84 P HA -0.007 nan 4.420 nan 0.000 0.269 84 P C -0.592 176.758 177.300 0.084 0.000 1.209 84 P CA -0.127 63.005 63.100 0.054 0.000 0.776 84 P CB 0.726 32.596 31.700 0.283 0.000 0.876 85 S N 2.414 118.150 115.700 0.060 0.000 2.533 85 S HA 0.125 4.596 4.470 0.001 0.000 0.282 85 S C -1.541 173.157 174.600 0.163 0.000 1.304 85 S CA -0.802 57.446 58.200 0.080 0.000 1.063 85 S CB 0.096 63.319 63.200 0.038 0.000 0.881 85 S HN 0.235 nan 8.310 nan 0.000 0.493 86 P HA -0.249 nan 4.420 nan 0.000 0.222 86 P C 1.514 178.926 177.300 0.186 0.000 1.155 86 P CA 2.161 65.345 63.100 0.140 0.000 0.890 86 P CB -0.285 31.469 31.700 0.090 0.000 0.790 87 S N -2.031 113.777 115.700 0.180 0.000 2.406 87 S HA -0.125 4.346 4.470 0.001 0.000 0.228 87 S C 1.810 176.596 174.600 0.309 0.000 1.020 87 S CA 0.677 59.004 58.200 0.211 0.000 0.965 87 S CB -1.507 61.780 63.200 0.144 0.000 0.798 87 S HN 0.162 nan 8.310 nan 0.000 0.488 88 F N 2.199 122.233 119.950 0.139 0.000 2.146 88 F HA 0.031 4.559 4.527 0.001 0.000 0.298 88 F C 1.966 177.908 175.800 0.236 0.000 1.096 88 F CA 1.120 59.220 58.000 0.168 0.000 1.275 88 F CB -0.205 38.848 39.000 0.089 0.000 1.008 88 F HN 0.074 nan 8.300 nan 0.000 0.480 89 I N -0.422 120.276 120.570 0.212 0.000 2.179 89 I HA -0.346 3.825 4.170 0.001 0.000 0.242 89 I C 2.388 178.518 176.117 0.022 0.000 1.088 89 I CA 1.772 63.114 61.300 0.071 0.000 1.357 89 I CB -0.667 37.409 38.000 0.127 0.000 1.051 89 I HN 0.199 nan 8.210 nan 0.000 0.409 90 H N 0.668 119.762 119.070 0.041 0.000 2.265 90 H HA -0.312 4.245 4.556 0.001 0.000 0.295 90 H C 2.024 177.378 175.328 0.043 0.000 1.084 90 H CA 2.495 58.567 56.048 0.040 0.000 1.261 90 H CB -0.453 29.381 29.762 0.120 0.000 1.360 90 H HN 0.283 nan 8.280 nan 0.000 0.487 91 F N 0.316 120.307 119.950 0.069 0.000 2.063 91 F HA -0.321 4.206 4.527 0.001 0.000 0.297 91 F C 2.054 177.867 175.800 0.021 0.000 1.099 91 F CA 1.756 59.790 58.000 0.056 0.000 1.220 91 F CB -0.917 38.054 39.000 -0.049 0.000 0.972 91 F HN 0.217 nan 8.300 nan 0.000 0.487 92 L N 0.351 121.403 121.223 -0.285 0.000 1.955 92 L HA -0.233 4.108 4.340 0.001 0.000 0.213 92 L C 2.457 179.260 176.870 -0.112 0.000 1.072 92 L CA 1.925 56.584 54.840 -0.302 0.000 0.755 92 L CB -1.180 40.750 42.059 -0.215 0.000 0.888 92 L HN 0.217 nan 8.230 nan 0.000 0.432 93 L N -0.914 120.159 121.223 -0.250 0.000 2.450 93 L HA -0.210 4.131 4.340 0.001 0.000 0.225 93 L C 1.690 178.020 176.870 -0.900 0.000 1.145 93 L CA 1.553 55.999 54.840 -0.657 0.000 0.801 93 L CB -0.879 40.507 42.059 -1.121 0.000 0.924 93 L HN 0.549 nan 8.230 nan 0.000 0.447 94 T N -6.212 107.889 114.554 -0.756 0.000 3.040 94 T HA 0.206 4.557 4.350 0.001 0.000 0.266 94 T C 0.273 174.301 174.700 -1.120 0.000 1.005 94 T CA -0.373 61.053 62.100 -1.123 0.000 0.906 94 T CB 0.041 68.397 68.868 -0.854 0.000 1.082 94 T HN 0.190 nan 8.240 nan 0.000 0.531 95 H N -0.051 118.763 119.070 -0.426 0.000 2.907 95 H HA 0.614 5.170 4.556 0.001 0.000 0.361 95 H C 0.606 176.044 175.328 0.184 0.000 1.194 95 H CA -0.167 55.800 56.048 -0.134 0.000 1.152 95 H CB 1.397 30.812 29.762 -0.578 0.000 1.867 95 H HN 0.281 nan 8.280 nan 0.000 0.561 96 G N 1.883 110.817 108.800 0.222 0.000 2.415 96 G HA2 -0.270 3.691 3.960 0.001 0.000 0.283 96 G HA3 -0.270 3.691 3.960 0.001 0.000 0.283 96 G C 1.126 176.134 174.900 0.181 0.000 1.014 96 G CA 0.175 45.328 45.100 0.088 0.000 1.323 96 G HN 0.542 nan 8.290 nan 0.000 0.502 97 R N -0.405 120.035 120.500 -0.100 0.000 2.103 97 R HA -0.154 4.187 4.340 0.001 0.000 0.242 97 R C 2.299 178.651 176.300 0.086 0.000 1.142 97 R CA 2.298 58.287 56.100 -0.185 0.000 0.960 97 R CB -0.238 29.772 30.300 -0.483 0.000 0.858 97 R HN 0.724 nan 8.270 nan 0.000 0.439 98 W N 0.662 121.955 121.300 -0.011 0.000 2.318 98 W HA -0.187 4.473 4.660 0.001 0.000 0.313 98 W C 2.211 178.706 176.519 -0.041 0.000 1.221 98 W CA 0.407 57.737 57.345 -0.025 0.000 1.266 98 W CB -1.321 28.113 29.460 -0.044 0.000 1.150 98 W HN 0.107 nan 8.180 nan 0.000 0.496 99 L N -0.940 120.336 121.223 0.087 0.000 2.079 99 L HA -0.169 4.172 4.340 0.001 0.000 0.210 99 L C 2.119 178.913 176.870 -0.128 0.000 1.081 99 L CA 2.019 56.772 54.840 -0.145 0.000 0.752 99 L CB -0.834 40.982 42.059 -0.405 0.000 0.896 99 L HN -0.058 nan 8.230 nan 0.000 0.433 100 W N -0.547 120.830 121.300 0.129 0.000 2.409 100 W HA -0.109 4.551 4.660 0.001 0.000 0.299 100 W C 2.348 178.920 176.519 0.089 0.000 1.203 100 W CA 0.538 57.946 57.345 0.105 0.000 1.298 100 W CB -0.481 29.048 29.460 0.115 0.000 1.127 100 W HN 0.084 nan 8.180 nan 0.000 0.528 101 D N 0.262 120.834 120.400 0.287 0.000 2.204 101 D HA -0.298 4.343 4.640 0.001 0.000 0.189 101 D C 1.665 178.062 176.300 0.161 0.000 1.006 101 D CA 1.953 56.068 54.000 0.191 0.000 0.855 101 D CB -1.133 39.784 40.800 0.195 0.000 0.946 101 D HN 0.086 nan 8.370 nan 0.000 0.448 102 F N 1.315 121.284 119.950 0.032 0.000 2.000 102 F HA -0.294 4.234 4.527 0.001 0.000 0.296 102 F C 2.445 178.223 175.800 -0.038 0.000 1.159 102 F CA 1.609 59.593 58.000 -0.027 0.000 1.183 102 F CB -0.695 38.261 39.000 -0.072 0.000 0.959 102 F HN -0.166 nan 8.300 nan 0.000 0.490 103 V N 1.447 121.382 119.914 0.035 0.000 2.233 103 V HA -0.469 3.652 4.120 0.001 0.000 0.252 103 V C 2.331 178.358 176.094 -0.111 0.000 1.063 103 V CA 2.473 64.714 62.300 -0.099 0.000 1.032 103 V CB -1.000 30.858 31.823 0.059 0.000 0.645 103 V HN 0.485 nan 8.190 nan 0.000 0.446 104 N N 0.105 118.844 118.700 0.065 0.000 2.094 104 N HA -0.185 4.556 4.740 0.001 0.000 0.191 104 N C 1.760 177.250 175.510 -0.033 0.000 1.023 104 N CA 1.873 54.959 53.050 0.059 0.000 0.857 104 N CB -0.446 38.109 38.487 0.113 0.000 1.013 104 N HN 0.557 nan 8.380 nan 0.000 0.426 105 A N 0.280 123.048 122.820 -0.087 0.000 2.119 105 A HA -0.027 4.294 4.320 0.001 0.000 0.217 105 A C 1.338 178.817 177.584 -0.176 0.000 1.153 105 A CA 1.161 53.132 52.037 -0.110 0.000 0.692 105 A CB -0.455 18.487 19.000 -0.097 0.000 0.799 105 A HN 0.490 nan 8.150 nan 0.000 0.458 106 T N -4.343 110.022 114.554 -0.316 0.000 2.923 106 T HA 0.444 4.795 4.350 0.001 0.000 0.281 106 T C 0.876 175.434 174.700 -0.237 0.000 0.995 106 T CA -0.094 61.790 62.100 -0.360 0.000 0.985 106 T CB 0.526 68.944 68.868 -0.750 0.000 1.114 106 T HN 0.606 nan 8.240 nan 0.000 0.548 107 F N -0.114 119.778 119.950 -0.096 0.000 2.307 107 F HA 0.097 4.625 4.527 0.001 0.000 0.301 107 F C 1.775 177.559 175.800 -0.026 0.000 1.076 107 F CA 0.528 58.499 58.000 -0.047 0.000 1.383 107 F CB -1.234 37.748 39.000 -0.031 0.000 1.055 107 F HN 0.406 nan 8.300 nan 0.000 0.526 108 I N 0.626 120.866 120.570 -0.550 0.000 2.657 108 I HA -0.253 3.918 4.170 0.001 0.000 0.261 108 I C 2.734 178.824 176.117 -0.045 0.000 1.212 108 I CA 1.164 62.296 61.300 -0.280 0.000 1.453 108 I CB -0.675 37.116 38.000 -0.347 0.000 1.092 108 I HN 0.242 nan 8.210 nan 0.000 0.452 109 R N 1.161 121.639 120.500 -0.036 0.000 2.105 109 R HA -0.205 4.136 4.340 0.001 0.000 0.239 109 R C 1.545 177.885 176.300 0.068 0.000 1.135 109 R CA 1.982 58.110 56.100 0.047 0.000 0.967 109 R CB -0.062 30.258 30.300 0.032 0.000 0.861 109 R HN 0.385 nan 8.270 nan 0.000 0.442 110 D N -1.174 119.273 120.400 0.079 0.000 2.216 110 D HA -0.039 4.601 4.640 0.001 0.000 0.208 110 D C 1.721 178.068 176.300 0.078 0.000 0.960 110 D CA 1.195 55.239 54.000 0.073 0.000 0.861 110 D CB -0.324 40.521 40.800 0.076 0.000 0.985 110 D HN 0.185 nan 8.370 nan 0.000 0.493 111 T N 1.683 116.306 114.554 0.115 0.000 2.720 111 T HA -0.099 4.251 4.350 0.001 0.000 0.268 111 T C 2.239 176.989 174.700 0.083 0.000 1.037 111 T CA 0.805 62.970 62.100 0.109 0.000 1.144 111 T CB -0.207 68.746 68.868 0.141 0.000 0.864 111 T HN 0.112 nan 8.240 nan 0.000 0.444 112 L N -0.302 120.973 121.223 0.087 0.000 2.049 112 L HA 0.033 4.374 4.340 0.001 0.000 0.203 112 L C 2.623 179.538 176.870 0.074 0.000 1.074 112 L CA 0.815 55.709 54.840 0.090 0.000 0.749 112 L CB -0.525 41.610 42.059 0.126 0.000 0.907 112 L HN 0.192 nan 8.230 nan 0.000 0.439 113 M N 0.217 119.858 119.600 0.070 0.000 2.106 113 M HA -0.256 4.225 4.480 0.001 0.000 0.259 113 M C 2.360 178.679 176.300 0.031 0.000 1.068 113 M CA 1.806 57.140 55.300 0.056 0.000 1.100 113 M CB -0.466 32.161 32.600 0.046 0.000 1.351 113 M HN -0.002 nan 8.290 nan 0.000 0.404 114 R N -0.834 119.678 120.500 0.020 0.000 2.091 114 R HA -0.169 4.172 4.340 0.001 0.000 0.238 114 R C 2.040 178.350 176.300 0.017 0.000 1.136 114 R CA 1.684 57.783 56.100 -0.001 0.000 0.959 114 R CB -0.483 29.819 30.300 0.004 0.000 0.856 114 R HN 0.387 nan 8.270 nan 0.000 0.437 115 L N -0.060 121.188 121.223 0.041 0.000 2.017 115 L HA -0.173 4.168 4.340 0.001 0.000 0.208 115 L C 2.199 179.103 176.870 0.058 0.000 1.073 115 L CA 1.460 56.330 54.840 0.051 0.000 0.745 115 L CB -0.377 41.719 42.059 0.061 0.000 0.894 115 L HN 0.032 nan 8.230 nan 0.000 0.432 116 V N -0.921 119.034 119.914 0.068 0.000 2.231 116 V HA -0.338 3.783 4.120 0.001 0.000 0.248 116 V C 2.443 178.584 176.094 0.078 0.000 1.054 116 V CA 1.649 64.002 62.300 0.089 0.000 1.015 116 V CB -0.861 31.031 31.823 0.114 0.000 0.638 116 V HN 0.271 nan 8.190 nan 0.000 0.444 117 L N 1.098 122.350 121.223 0.049 0.000 1.963 117 L HA -0.240 4.101 4.340 0.001 0.000 0.220 117 L C 2.904 179.792 176.870 0.030 0.000 1.076 117 L CA 3.036 57.883 54.840 0.013 0.000 0.772 117 L CB -1.920 40.098 42.059 -0.069 0.000 0.892 117 L HN 0.692 nan 8.230 nan 0.000 0.435 118 T N -4.015 110.551 114.554 0.021 0.000 2.812 118 T HA -0.086 4.265 4.350 0.001 0.000 0.264 118 T C 1.905 176.654 174.700 0.082 0.000 1.042 118 T CA 1.288 63.425 62.100 0.062 0.000 1.140 118 T CB -0.879 68.018 68.868 0.047 0.000 0.870 118 T HN 0.064 nan 8.240 nan 0.000 0.445 119 V N 1.573 121.527 119.914 0.067 0.000 2.270 119 V HA -0.069 4.051 4.120 0.001 0.000 0.245 119 V C 3.039 179.172 176.094 0.065 0.000 1.043 119 V CA 1.836 64.174 62.300 0.062 0.000 1.014 119 V CB -0.768 31.092 31.823 0.061 0.000 0.645 119 V HN 0.301 nan 8.190 nan 0.000 0.447 120 R N 1.091 121.639 120.500 0.080 0.000 2.094 120 R HA -0.174 4.167 4.340 0.001 0.000 0.239 120 R C 2.729 179.070 176.300 0.069 0.000 1.137 120 R CA 1.995 58.147 56.100 0.085 0.000 0.943 120 R CB -0.854 29.509 30.300 0.105 0.000 0.850 120 R HN 0.680 nan 8.270 nan 0.000 0.433 121 S N -0.217 115.543 115.700 0.101 0.000 2.402 121 S HA -0.128 4.343 4.470 0.001 0.000 0.229 121 S C 1.699 176.325 174.600 0.043 0.000 1.021 121 S CA 1.403 59.675 58.200 0.119 0.000 0.974 121 S CB -0.547 62.847 63.200 0.324 0.000 0.800 121 S HN 0.450 nan 8.310 nan 0.000 0.484 122 N N 1.062 119.790 118.700 0.046 0.000 2.184 122 N HA -0.072 4.668 4.740 0.001 0.000 0.190 122 N C 1.267 176.737 175.510 -0.067 0.000 1.011 122 N CA 1.282 54.330 53.050 -0.005 0.000 0.867 122 N CB -0.274 38.220 38.487 0.012 0.000 0.993 122 N HN 0.344 nan 8.380 nan 0.000 0.433 123 L N 0.972 122.141 121.223 -0.090 0.000 2.549 123 L HA 0.005 4.345 4.340 0.001 0.000 0.230 123 L C 0.318 177.025 176.870 -0.272 0.000 1.162 123 L CA 0.880 55.596 54.840 -0.206 0.000 0.834 123 L CB -0.609 41.305 42.059 -0.242 0.000 0.947 123 L HN 0.153 nan 8.230 nan 0.000 0.452 124 I N 0.813 121.273 120.570 -0.183 0.000 2.362 124 I HA 0.333 4.503 4.170 0.001 0.000 0.289 124 I C -2.139 173.904 176.117 -0.123 0.000 0.994 124 I CA -2.765 58.437 61.300 -0.164 0.000 1.158 124 I CB 0.919 38.844 38.000 -0.126 0.000 1.315 124 I HN -0.192 nan 8.210 nan 0.000 0.451 125 P HA 0.190 nan 4.420 nan 0.000 0.271 125 P C -0.402 176.835 177.300 -0.106 0.000 1.220 125 P CA -0.020 63.014 63.100 -0.109 0.000 0.768 125 P CB 0.778 32.407 31.700 -0.118 0.000 0.848 126 S N 3.065 118.685 115.700 -0.132 0.000 2.689 126 S HA 0.459 4.930 4.470 0.001 0.000 0.274 126 S C -2.805 171.713 174.600 -0.137 0.000 1.176 126 S CA -1.321 56.797 58.200 -0.137 0.000 1.014 126 S CB 0.528 63.605 63.200 -0.205 0.000 1.071 126 S HN 0.186 nan 8.310 nan 0.000 0.478 127 P HA 0.277 nan 4.420 nan 0.000 0.267 127 P C -2.673 174.589 177.300 -0.063 0.000 1.200 127 P CA -0.988 62.091 63.100 -0.035 0.000 0.772 127 P CB -0.529 31.122 31.700 -0.081 0.000 0.855 128 P HA -0.049 nan 4.420 nan 0.000 0.267 128 P C 0.700 177.909 177.300 -0.152 0.000 1.200 128 P CA 0.202 63.254 63.100 -0.080 0.000 0.772 128 P CB 0.468 32.121 31.700 -0.077 0.000 0.855 129 T N 0.432 114.822 114.554 -0.273 0.000 3.401 129 T HA 0.116 4.467 4.350 0.001 0.000 0.225 129 T C 0.607 174.991 174.700 -0.527 0.000 0.961 129 T CA 0.570 62.320 62.100 -0.583 0.000 1.429 129 T CB -0.710 67.507 68.868 -1.085 0.000 1.213 129 T HN 0.366 nan 8.240 nan 0.000 0.440 130 Y N 2.684 122.965 120.300 -0.032 0.000 2.631 130 Y HA 0.687 5.237 4.550 0.001 0.000 0.328 130 Y C 0.237 176.089 175.900 -0.081 0.000 1.118 130 Y CA -1.274 56.783 58.100 -0.071 0.000 1.206 130 Y CB 1.031 39.462 38.460 -0.048 0.000 1.337 130 Y HN 0.581 nan 8.280 nan 0.000 0.515 131 N N -0.918 117.803 118.700 0.034 0.000 2.934 131 N HA 0.155 4.896 4.740 0.001 0.000 0.253 131 N C -0.252 175.233 175.510 -0.041 0.000 1.466 131 N CA -0.757 52.264 53.050 -0.050 0.000 0.858 131 N CB 0.472 38.763 38.487 -0.328 0.000 1.459 131 N HN 0.611 nan 8.380 nan 0.000 0.532 132 I N -0.137 120.447 120.570 0.024 0.000 2.381 132 I HA -0.161 4.010 4.170 0.001 0.000 0.255 132 I C 1.699 177.812 176.117 -0.007 0.000 1.140 132 I CA 2.176 63.485 61.300 0.016 0.000 1.404 132 I CB -0.734 37.262 38.000 -0.008 0.000 1.075 132 I HN 0.727 nan 8.210 nan 0.000 0.433 133 A N -1.178 121.601 122.820 -0.069 0.000 1.887 133 A HA 0.026 4.347 4.320 0.001 0.000 0.212 133 A C 0.780 178.149 177.584 -0.358 0.000 1.198 133 A CA 0.707 52.614 52.037 -0.216 0.000 0.628 133 A CB -0.399 18.399 19.000 -0.337 0.000 0.847 133 A HN 0.499 nan 8.150 nan 0.000 0.449 134 H N 0.435 119.344 119.070 -0.269 0.000 2.511 134 H HA 0.311 4.868 4.556 0.001 0.000 0.328 134 H C -1.013 174.058 175.328 -0.428 0.000 1.044 134 H CA -0.898 54.808 56.048 -0.569 0.000 1.212 134 H CB 1.202 30.529 29.762 -0.724 0.000 1.428 134 H HN 0.249 nan 8.280 nan 0.000 0.483 135 D N 3.469 123.672 120.400 -0.330 0.000 2.434 135 D HA 0.049 4.690 4.640 0.001 0.000 0.232 135 D C -0.184 175.995 176.300 -0.201 0.000 1.166 135 D CA 0.369 54.223 54.000 -0.245 0.000 0.830 135 D CB 0.034 40.779 40.800 -0.092 0.000 0.960 135 D HN 0.508 nan 8.370 nan 0.000 0.497 136 Y N -2.818 117.619 120.300 0.228 0.000 2.656 136 Y HA 0.454 5.005 4.550 0.001 0.000 0.334 136 Y C -0.712 175.389 175.900 0.335 0.000 1.179 136 Y CA -1.541 56.742 58.100 0.306 0.000 1.050 136 Y CB 0.247 38.762 38.460 0.093 0.000 1.308 136 Y HN -0.354 nan 8.280 nan 0.000 0.456 137 I N 3.098 123.895 120.570 0.379 0.000 2.556 137 I HA 0.444 4.615 4.170 0.001 0.000 0.284 137 I C 0.188 176.385 176.117 0.133 0.000 1.114 137 I CA 0.653 62.021 61.300 0.114 0.000 1.418 137 I CB 0.786 38.810 38.000 0.039 0.000 1.394 137 I HN 0.750 nan 8.210 nan 0.000 0.552 138 S N 5.536 121.245 115.700 0.015 0.000 2.570 138 S HA 0.248 4.718 4.470 0.001 0.000 0.270 138 S C 0.144 174.781 174.600 0.061 0.000 1.149 138 S CA -0.927 57.286 58.200 0.022 0.000 0.837 138 S CB 1.056 64.128 63.200 -0.213 0.000 1.124 138 S HN 0.793 nan 8.310 nan 0.000 0.465 139 W N 1.376 122.688 121.300 0.021 0.000 2.388 139 W HA -0.066 4.595 4.660 0.001 0.000 0.294 139 W C 1.627 178.220 176.519 0.124 0.000 1.212 139 W CA 2.283 59.686 57.345 0.097 0.000 1.271 139 W CB -0.197 29.310 29.460 0.079 0.000 1.126 139 W HN 1.039 nan 8.180 nan 0.000 0.535 140 E N 0.645 120.971 120.200 0.211 0.000 2.051 140 E HA -0.219 4.132 4.350 0.001 0.000 0.192 140 E C 2.307 178.904 176.600 -0.006 0.000 0.991 140 E CA 2.275 58.775 56.400 0.168 0.000 0.799 140 E CB -0.798 29.074 29.700 0.287 0.000 0.748 140 E HN 0.032 nan 8.360 nan 0.000 0.449 141 S N -1.018 114.675 115.700 -0.013 0.000 2.365 141 S HA -0.220 4.250 4.470 0.001 0.000 0.225 141 S C 1.897 176.383 174.600 -0.190 0.000 1.039 141 S CA 1.545 59.659 58.200 -0.144 0.000 1.033 141 S CB -0.721 62.423 63.200 -0.094 0.000 0.887 141 S HN 0.482 nan 8.310 nan 0.000 0.447 142 F N 2.363 122.088 119.950 -0.374 0.000 2.206 142 F HA 0.066 4.594 4.527 0.001 0.000 0.298 142 F C 2.488 177.994 175.800 -0.491 0.000 1.090 142 F CA 1.797 59.503 58.000 -0.490 0.000 1.323 142 F CB -0.573 37.994 39.000 -0.720 0.000 1.028 142 F HN 0.406 nan 8.300 nan 0.000 0.492 143 S N -0.995 114.323 115.700 -0.637 0.000 2.524 143 S HA 0.059 4.530 4.470 0.001 0.000 0.216 143 S C 0.702 175.154 174.600 -0.246 0.000 0.987 143 S CA -0.183 57.697 58.200 -0.533 0.000 0.909 143 S CB -0.608 62.461 63.200 -0.219 0.000 0.781 143 S HN 0.323 nan 8.310 nan 0.000 0.521 144 N N 2.586 121.204 118.700 -0.138 0.000 2.558 144 N HA 0.183 4.924 4.740 0.001 0.000 0.233 144 N C 0.825 176.373 175.510 0.064 0.000 1.038 144 N CA -0.102 52.977 53.050 0.048 0.000 0.934 144 N CB 1.585 40.212 38.487 0.234 0.000 1.175 144 N HN 0.247 nan 8.380 nan 0.000 0.512 145 V N 1.301 121.223 119.914 0.013 0.000 3.510 145 V HA 0.031 4.151 4.120 0.001 0.000 0.270 145 V C 1.444 177.651 176.094 0.188 0.000 1.201 145 V CA 0.933 63.264 62.300 0.051 0.000 1.166 145 V CB -0.419 31.412 31.823 0.012 0.000 0.825 145 V HN 0.402 nan 8.190 nan 0.000 0.484 146 S N -0.822 114.963 115.700 0.142 0.000 2.481 146 S HA 0.136 4.607 4.470 0.001 0.000 0.231 146 S C 0.468 175.075 174.600 0.012 0.000 0.996 146 S CA 0.521 58.771 58.200 0.083 0.000 0.942 146 S CB -0.420 62.840 63.200 0.100 0.000 0.768 146 S HN 0.743 nan 8.310 nan 0.000 0.520 147 Y N 0.310 120.575 120.300 -0.059 0.000 2.301 147 Y HA 0.342 4.893 4.550 0.001 0.000 0.325 147 Y C 0.277 176.102 175.900 -0.126 0.000 1.203 147 Y CA -0.961 56.993 58.100 -0.242 0.000 1.255 147 Y CB 0.389 38.709 38.460 -0.235 0.000 1.232 147 Y HN 0.044 nan 8.280 nan 0.000 0.501 148 Y N 0.522 120.891 120.300 0.115 0.000 2.299 148 Y HA 0.178 4.729 4.550 0.001 0.000 0.335 148 Y C 0.943 176.900 175.900 0.094 0.000 1.287 148 Y CA -0.285 57.895 58.100 0.133 0.000 1.424 148 Y CB 0.598 39.103 38.460 0.074 0.000 1.326 148 Y HN 0.533 nan 8.280 nan 0.000 0.567 149 T N 1.052 115.770 114.554 0.274 0.000 2.893 149 T HA 0.817 5.168 4.350 0.001 0.000 0.279 149 T C -0.987 173.811 174.700 0.162 0.000 0.991 149 T CA -0.792 61.395 62.100 0.144 0.000 0.950 149 T CB 0.636 69.555 68.868 0.084 0.000 1.223 149 T HN 0.710 nan 8.240 nan 0.000 0.585 150 R N 0.504 121.107 120.500 0.170 0.000 2.680 150 R HA 0.515 4.856 4.340 0.001 0.000 0.269 150 R C 0.174 176.651 176.300 0.295 0.000 1.026 150 R CA -0.898 55.336 56.100 0.223 0.000 0.889 150 R CB 0.527 30.944 30.300 0.196 0.000 1.241 150 R HN 0.319 nan 8.270 nan 0.000 0.463 151 I N 0.755 121.542 120.570 0.362 0.000 2.494 151 I HA 0.128 4.299 4.170 0.001 0.000 0.250 151 I C 0.821 177.095 176.117 0.263 0.000 1.112 151 I CA 0.683 62.175 61.300 0.320 0.000 1.438 151 I CB -0.741 37.498 38.000 0.399 0.000 1.111 151 I HN 0.491 nan 8.210 nan 0.000 0.431 152 L N 1.618 122.972 121.223 0.218 0.000 2.334 152 L HA 0.358 4.699 4.340 0.001 0.000 0.275 152 L C -2.194 174.695 176.870 0.032 0.000 1.036 152 L CA -1.736 53.108 54.840 0.007 0.000 0.807 152 L CB 1.243 43.077 42.059 -0.374 0.000 1.231 152 L HN -0.135 nan 8.230 nan 0.000 0.438 153 P HA 0.029 nan 4.420 nan 0.000 0.271 153 P C -0.551 176.709 177.300 -0.067 0.000 1.244 153 P CA -0.446 62.513 63.100 -0.235 0.000 0.793 153 P CB 0.432 31.903 31.700 -0.382 0.000 0.984 154 S N -0.634 115.040 115.700 -0.043 0.000 2.589 154 S HA 0.125 4.596 4.470 0.001 0.000 0.265 154 S C 0.107 174.733 174.600 0.045 0.000 1.342 154 S CA -0.692 57.520 58.200 0.020 0.000 1.005 154 S CB -0.156 63.056 63.200 0.019 0.000 0.909 154 S HN 0.193 nan 8.310 nan 0.000 0.555 155 V N 3.854 123.818 119.914 0.083 0.000 2.446 155 V HA 0.236 4.357 4.120 0.001 0.000 0.276 155 V C -2.006 174.110 176.094 0.037 0.000 1.030 155 V CA -1.400 60.959 62.300 0.099 0.000 1.033 155 V CB -0.113 31.786 31.823 0.126 0.000 0.993 155 V HN 0.765 nan 8.190 nan 0.000 0.477 156 P HA 0.132 nan 4.420 nan 0.000 0.266 156 P C 0.670 177.965 177.300 -0.008 0.000 1.195 156 P CA 0.047 63.139 63.100 -0.014 0.000 0.768 156 P CB 0.550 32.221 31.700 -0.049 0.000 0.838 157 R N 2.007 122.512 120.500 0.007 0.000 2.092 157 R HA -0.094 4.246 4.340 0.001 0.000 0.231 157 R C 0.824 177.124 176.300 0.000 0.000 1.119 157 R CA 1.392 57.499 56.100 0.012 0.000 0.970 157 R CB -0.503 29.811 30.300 0.023 0.000 0.864 157 R HN 0.622 nan 8.270 nan 0.000 0.440 158 D N 0.043 120.439 120.400 -0.007 0.000 2.644 158 D HA -0.019 4.622 4.640 0.001 0.000 0.252 158 D C -0.357 175.922 176.300 -0.036 0.000 1.254 158 D CA 0.103 54.094 54.000 -0.014 0.000 0.884 158 D CB -0.539 40.255 40.800 -0.010 0.000 1.034 158 D HN 0.047 nan 8.370 nan 0.000 0.473 159 c N 0.274 118.850 118.600 -0.041 0.000 2.507 159 c HA 0.319 4.890 4.570 0.001 0.000 0.319 159 c C -1.000 173.058 174.090 -0.054 0.000 1.208 159 c CA -1.166 55.120 56.329 -0.072 0.000 1.619 159 c CB 2.040 44.495 42.510 -0.092 0.000 2.230 159 c HN 0.147 nan 8.230 nan 0.000 0.492 160 P HA -0.064 nan 4.420 nan 0.000 0.214 160 P C 0.482 177.768 177.300 -0.023 0.000 1.163 160 P CA 1.479 64.550 63.100 -0.049 0.000 0.883 160 P CB 0.013 31.667 31.700 -0.075 0.000 0.788 161 T N -5.432 109.107 114.554 -0.025 0.000 2.856 161 T HA 0.420 4.770 4.350 0.001 0.000 0.283 161 T C -2.414 172.303 174.700 0.028 0.000 1.008 161 T CA -2.370 59.738 62.100 0.014 0.000 0.997 161 T CB 1.955 70.841 68.868 0.030 0.000 0.992 161 T HN -0.219 nan 8.240 nan 0.000 0.454 162 P HA 0.057 nan 4.420 nan 0.000 0.228 162 P C 1.018 178.375 177.300 0.096 0.000 1.151 162 P CA 0.687 63.828 63.100 0.067 0.000 0.770 162 P CB 0.049 31.796 31.700 0.078 0.000 0.786 163 M N -2.475 117.193 119.600 0.113 0.000 2.383 163 M HA 0.321 4.802 4.480 0.001 0.000 0.247 163 M C 1.295 177.705 176.300 0.183 0.000 1.117 163 M CA 0.493 55.887 55.300 0.156 0.000 0.995 163 M CB -0.110 32.590 32.600 0.167 0.000 1.480 163 M HN 0.107 nan 8.290 nan 0.000 0.485 164 G N 0.591 109.440 108.800 0.082 0.000 2.698 164 G HA2 -0.229 3.732 3.960 0.001 0.000 0.200 164 G HA3 -0.229 3.732 3.960 0.001 0.000 0.200 164 G C 0.722 175.533 174.900 -0.148 0.000 2.083 164 G CA 0.416 45.491 45.100 -0.041 0.000 1.629 164 G HN 0.307 nan 8.290 nan 0.000 0.565 165 T N -1.031 113.461 114.554 -0.103 0.000 3.029 165 T HA 0.428 4.779 4.350 0.001 0.000 0.256 165 T C 0.364 175.039 174.700 -0.042 0.000 0.914 165 T CA 0.344 62.338 62.100 -0.176 0.000 0.880 165 T CB 1.072 69.738 68.868 -0.336 0.000 1.246 165 T HN 0.411 nan 8.240 nan 0.000 0.523 166 K N 1.558 121.978 120.400 0.033 0.000 2.259 166 K HA 0.743 5.063 4.320 0.001 0.000 0.249 166 K C 0.560 177.218 176.600 0.097 0.000 0.942 166 K CA 0.166 56.494 56.287 0.069 0.000 0.816 166 K CB 1.636 34.189 32.500 0.087 0.000 1.155 166 K HN 0.462 nan 8.250 nan 0.000 0.428 167 G N -0.226 108.638 108.800 0.107 0.000 2.631 167 G HA2 0.013 3.974 3.960 0.001 0.000 0.504 167 G HA3 0.013 3.974 3.960 0.001 0.000 0.504 167 G C -0.514 174.449 174.900 0.105 0.000 1.306 167 G CA -0.283 44.900 45.100 0.139 0.000 0.897 167 G HN 0.735 nan 8.290 nan 0.000 0.520 168 K N -0.491 119.976 120.400 0.110 0.000 2.120 168 K HA 0.857 5.178 4.320 0.001 0.000 0.245 168 K C 1.908 178.547 176.600 0.064 0.000 1.024 168 K CA 1.541 57.873 56.287 0.075 0.000 0.906 168 K CB -0.361 32.177 32.500 0.064 0.000 1.051 168 K HN 2.151 nan 8.250 nan 0.000 0.491 169 K N 0.308 120.735 120.400 0.045 0.000 1.973 169 K HA -0.089 4.231 4.320 0.001 0.000 0.212 169 K C 1.475 178.099 176.600 0.040 0.000 1.047 169 K CA 2.093 58.403 56.287 0.037 0.000 0.937 169 K CB -0.629 31.886 32.500 0.027 0.000 0.721 169 K HN 0.816 nan 8.250 nan 0.000 0.440 170 Q N 0.428 120.248 119.800 0.035 0.000 2.274 170 Q HA 0.445 4.786 4.340 0.001 0.000 0.256 170 Q C -0.994 175.029 176.000 0.037 0.000 0.927 170 Q CA -0.756 55.067 55.803 0.033 0.000 0.939 170 Q CB 0.996 29.747 28.738 0.021 0.000 1.201 170 Q HN 0.283 nan 8.270 nan 0.000 0.426 171 L N 5.779 127.031 121.223 0.049 0.000 2.467 171 L HA 0.296 4.637 4.340 0.001 0.000 0.270 171 L C -1.929 174.936 176.870 -0.008 0.000 1.205 171 L CA -1.313 53.556 54.840 0.049 0.000 0.828 171 L CB -0.235 41.881 42.059 0.095 0.000 1.101 171 L HN 0.704 nan 8.230 nan 0.000 0.479 172 P HA -0.089 nan 4.420 nan 0.000 0.263 172 P C -0.955 176.317 177.300 -0.047 0.000 1.168 172 P CA 0.128 63.134 63.100 -0.156 0.000 0.759 172 P CB 0.194 31.604 31.700 -0.483 0.000 0.782 173 D N 1.836 122.239 120.400 0.005 0.000 2.417 173 D HA 0.180 4.821 4.640 0.001 0.000 0.250 173 D C 1.231 177.574 176.300 0.073 0.000 1.166 173 D CA 0.167 54.194 54.000 0.045 0.000 0.881 173 D CB 0.652 41.488 40.800 0.059 0.000 1.164 173 D HN 0.309 nan 8.370 nan 0.000 0.467 174 A N 3.786 126.646 122.820 0.066 0.000 1.902 174 A HA -0.203 4.118 4.320 0.001 0.000 0.217 174 A C 1.960 179.600 177.584 0.093 0.000 1.181 174 A CA 1.649 53.733 52.037 0.079 0.000 0.623 174 A CB -0.530 18.510 19.000 0.065 0.000 0.818 174 A HN 0.786 nan 8.150 nan 0.000 0.443 175 E N -1.677 118.581 120.200 0.097 0.000 2.072 175 E HA -0.124 4.227 4.350 0.001 0.000 0.190 175 E C 1.674 178.370 176.600 0.159 0.000 0.982 175 E CA 1.000 57.465 56.400 0.107 0.000 0.803 175 E CB -0.223 29.529 29.700 0.087 0.000 0.755 175 E HN 0.523 nan 8.360 nan 0.000 0.453 176 F N 0.672 120.606 119.950 -0.026 0.000 2.259 176 F HA -0.088 4.440 4.527 0.001 0.000 0.298 176 F C 1.784 177.538 175.800 -0.076 0.000 1.088 176 F CA 0.686 58.647 58.000 -0.064 0.000 1.358 176 F CB -0.145 38.811 39.000 -0.074 0.000 1.040 176 F HN 0.096 nan 8.300 nan 0.000 0.505 177 L N -0.711 120.541 121.223 0.048 0.000 2.079 177 L HA -0.211 4.129 4.340 0.001 0.000 0.210 177 L C 2.371 179.281 176.870 0.066 0.000 1.081 177 L CA 1.785 56.669 54.840 0.074 0.000 0.752 177 L CB -1.522 40.622 42.059 0.141 0.000 0.896 177 L HN 0.131 nan 8.230 nan 0.000 0.433 178 S N -1.145 114.584 115.700 0.049 0.000 2.395 178 S HA -0.030 4.440 4.470 0.001 0.000 0.225 178 S C 1.970 176.553 174.600 -0.028 0.000 1.027 178 S CA 0.390 58.621 58.200 0.052 0.000 0.965 178 S CB 0.100 63.343 63.200 0.073 0.000 0.812 178 S HN 0.351 nan 8.310 nan 0.000 0.482 179 R N 1.259 121.707 120.500 -0.087 0.000 2.070 179 R HA 0.109 4.450 4.340 0.001 0.000 0.227 179 R C 2.357 178.454 176.300 -0.338 0.000 1.147 179 R CA 0.889 56.901 56.100 -0.146 0.000 0.924 179 R CB -0.430 29.836 30.300 -0.056 0.000 0.827 179 R HN 0.149 nan 8.270 nan 0.000 0.431 180 R N -0.187 119.891 120.500 -0.704 0.000 2.159 180 R HA -0.085 4.256 4.340 0.001 0.000 0.237 180 R C 1.791 177.488 176.300 -1.005 0.000 1.131 180 R CA 1.448 56.911 56.100 -1.061 0.000 0.982 180 R CB -0.198 29.052 30.300 -1.750 0.000 0.868 180 R HN 0.309 nan 8.270 nan 0.000 0.453 181 F N -2.445 117.397 119.950 -0.179 0.000 2.729 181 F HA 0.176 4.704 4.527 0.001 0.000 0.304 181 F C 1.733 177.484 175.800 -0.081 0.000 1.008 181 F CA -0.205 57.721 58.000 -0.124 0.000 1.188 181 F CB 0.300 39.229 39.000 -0.118 0.000 0.980 181 F HN -0.196 nan 8.300 nan 0.000 0.627 182 L N -0.271 121.006 121.223 0.090 0.000 2.609 182 L HA 0.263 4.604 4.340 0.001 0.000 0.230 182 L C 0.391 177.289 176.870 0.046 0.000 1.064 182 L CA -0.051 54.833 54.840 0.073 0.000 0.873 182 L CB 0.234 42.353 42.059 0.101 0.000 1.139 182 L HN 0.005 nan 8.230 nan 0.000 0.490 183 L N 2.666 123.899 121.223 0.016 0.000 2.615 183 L HA 0.019 4.360 4.340 0.001 0.000 0.271 183 L C 1.000 177.879 176.870 0.016 0.000 1.183 183 L CA 0.203 55.053 54.840 0.016 0.000 0.933 183 L CB 0.184 42.237 42.059 -0.010 0.000 1.199 183 L HN 0.168 nan 8.230 nan 0.000 0.487 184 R N 4.719 125.248 120.500 0.048 0.000 2.537 184 R HA -0.010 4.331 4.340 0.001 0.000 0.281 184 R C 0.643 176.966 176.300 0.038 0.000 0.988 184 R CA 0.467 56.600 56.100 0.057 0.000 1.077 184 R CB 0.535 30.899 30.300 0.107 0.000 0.932 184 R HN 0.816 nan 8.270 nan 0.000 0.409 185 R N 2.962 123.475 120.500 0.021 0.000 1.991 185 R HA 0.103 4.444 4.340 0.001 0.000 0.205 185 R C 0.421 176.746 176.300 0.042 0.000 1.356 185 R CA 1.358 57.466 56.100 0.013 0.000 1.066 185 R CB -0.406 29.889 30.300 -0.008 0.000 0.854 185 R HN 0.586 nan 8.270 nan 0.000 0.487 186 K N 1.366 121.790 120.400 0.041 0.000 2.109 186 K HA 0.227 4.548 4.320 0.001 0.000 0.243 186 K C -0.658 176.010 176.600 0.112 0.000 1.006 186 K CA -0.506 55.826 56.287 0.075 0.000 0.917 186 K CB 0.046 32.573 32.500 0.046 0.000 1.081 186 K HN 0.257 nan 8.250 nan 0.000 0.468 187 F N 1.185 121.132 119.950 -0.005 0.000 2.427 187 F HA 0.555 5.082 4.527 0.001 0.000 0.352 187 F C -0.171 175.613 175.800 -0.026 0.000 1.100 187 F CA -0.793 57.200 58.000 -0.011 0.000 1.191 187 F CB 0.463 39.455 39.000 -0.013 0.000 1.128 187 F HN 0.362 nan 8.300 nan 0.000 0.533 188 I N 8.759 128.825 120.570 -0.839 0.000 2.405 188 I HA 0.291 4.461 4.170 0.001 0.000 0.280 188 I C -2.238 173.210 176.117 -1.116 0.000 1.027 188 I CA -2.266 58.563 61.300 -0.785 0.000 1.161 188 I CB 1.010 38.786 38.000 -0.373 0.000 1.300 188 I HN 0.415 nan 8.210 nan 0.000 0.463 189 P HA -0.014 nan 4.420 nan 0.000 0.269 189 P C -0.571 176.519 177.300 -0.351 0.000 1.209 189 P CA -0.114 62.611 63.100 -0.625 0.000 0.776 189 P CB 0.752 32.299 31.700 -0.255 0.000 0.876 190 D N 3.750 124.005 120.400 -0.241 0.000 2.450 190 D HA 0.006 4.647 4.640 0.001 0.000 0.247 190 D C -1.446 174.732 176.300 -0.204 0.000 1.162 190 D CA -1.342 52.515 54.000 -0.238 0.000 0.879 190 D CB 0.217 40.865 40.800 -0.253 0.000 1.163 190 D HN 0.154 nan 8.370 nan 0.000 0.472 191 P HA -0.097 nan 4.420 nan 0.000 0.226 191 P C 0.488 177.692 177.300 -0.160 0.000 1.153 191 P CA 0.976 63.977 63.100 -0.164 0.000 0.777 191 P CB 0.144 31.751 31.700 -0.155 0.000 0.794 192 Q N -1.234 118.444 119.800 -0.203 0.000 2.403 192 Q HA 0.226 4.567 4.340 0.001 0.000 0.203 192 Q C 1.173 177.071 176.000 -0.170 0.000 0.932 192 Q CA 0.467 56.145 55.803 -0.209 0.000 0.945 192 Q CB -0.231 28.334 28.738 -0.289 0.000 1.045 192 Q HN 0.209 nan 8.270 nan 0.000 0.511 193 G N 1.439 110.163 108.800 -0.127 0.000 2.155 193 G HA2 -0.280 3.681 3.960 0.001 0.000 0.257 193 G HA3 -0.280 3.681 3.960 0.001 0.000 0.257 193 G C 0.289 175.192 174.900 0.006 0.000 0.983 193 G CA 0.446 45.519 45.100 -0.046 0.000 0.676 193 G HN 0.330 nan 8.290 nan 0.000 0.528 194 T N 1.617 116.109 114.554 -0.103 0.000 2.933 194 T HA 0.344 4.695 4.350 0.001 0.000 0.306 194 T C 0.896 175.608 174.700 0.020 0.000 1.045 194 T CA 0.933 62.956 62.100 -0.128 0.000 1.143 194 T CB 0.541 69.149 68.868 -0.432 0.000 1.003 194 T HN 0.892 nan 8.240 nan 0.000 0.540 195 N N 2.496 121.293 118.700 0.162 0.000 2.671 195 N HA 0.332 5.073 4.740 0.001 0.000 0.303 195 N C 0.743 176.405 175.510 0.253 0.000 1.277 195 N CA -1.139 52.041 53.050 0.217 0.000 0.933 195 N CB 0.373 39.033 38.487 0.288 0.000 1.190 195 N HN 0.395 nan 8.380 nan 0.000 0.600 196 L N -1.179 120.182 121.223 0.231 0.000 2.418 196 L HA 0.068 4.409 4.340 0.001 0.000 0.218 196 L C 2.052 179.125 176.870 0.338 0.000 1.125 196 L CA 0.468 55.377 54.840 0.115 0.000 0.835 196 L CB -0.404 41.644 42.059 -0.019 0.000 0.953 196 L HN 0.538 nan 8.230 nan 0.000 0.454 197 M N 0.509 120.431 119.600 0.537 0.000 2.073 197 M HA -0.293 4.188 4.480 0.001 0.000 0.258 197 M C 2.132 178.908 176.300 0.793 0.000 1.070 197 M CA 2.063 57.779 55.300 0.693 0.000 1.103 197 M CB -0.662 32.269 32.600 0.551 0.000 1.321 197 M HN 0.192 nan 8.290 nan 0.000 0.405 198 F N 0.348 120.628 119.950 0.551 0.000 2.069 198 F HA -0.202 4.326 4.527 0.001 0.000 0.298 198 F C 2.097 178.057 175.800 0.265 0.000 1.113 198 F CA 2.316 60.497 58.000 0.302 0.000 1.214 198 F CB -0.836 38.184 39.000 0.033 0.000 0.978 198 F HN 0.235 nan 8.300 nan 0.000 0.474 199 A N 0.258 123.380 122.820 0.504 0.000 1.892 199 A HA -0.236 4.085 4.320 0.001 0.000 0.218 199 A C 2.049 179.690 177.584 0.096 0.000 1.188 199 A CA 2.071 54.269 52.037 0.268 0.000 0.631 199 A CB -1.599 17.379 19.000 -0.036 0.000 0.822 199 A HN 0.474 nan 8.150 nan 0.000 0.447 200 F N -1.696 118.396 119.950 0.236 0.000 2.234 200 F HA -0.020 4.507 4.527 0.001 0.000 0.299 200 F C 1.961 177.838 175.800 0.129 0.000 1.087 200 F CA 0.848 58.966 58.000 0.196 0.000 1.340 200 F CB -0.752 38.401 39.000 0.255 0.000 1.031 200 F HN 0.358 nan 8.300 nan 0.000 0.500 201 F N 0.331 120.352 119.950 0.118 0.000 2.186 201 F HA -0.060 4.468 4.527 0.001 0.000 0.299 201 F C 2.306 178.049 175.800 -0.094 0.000 1.090 201 F CA 1.089 58.893 58.000 -0.327 0.000 1.307 201 F CB -0.350 38.577 39.000 -0.120 0.000 1.019 201 F HN -0.080 nan 8.300 nan 0.000 0.489 202 A N 0.038 123.008 122.820 0.249 0.000 1.858 202 A HA -0.278 4.042 4.320 0.001 0.000 0.216 202 A C 2.198 179.836 177.584 0.090 0.000 1.190 202 A CA 1.881 54.095 52.037 0.296 0.000 0.617 202 A CB -1.188 18.004 19.000 0.319 0.000 0.827 202 A HN 0.557 nan 8.150 nan 0.000 0.443 203 Q N -1.383 118.443 119.800 0.043 0.000 2.061 203 Q HA -0.296 4.045 4.340 0.001 0.000 0.204 203 Q C 1.998 177.871 176.000 -0.212 0.000 0.984 203 Q CA 2.286 58.021 55.803 -0.113 0.000 0.846 203 Q CB -0.267 28.396 28.738 -0.124 0.000 0.902 203 Q HN 0.907 nan 8.270 nan 0.000 0.421 204 H N -0.576 118.334 119.070 -0.266 0.000 2.269 204 H HA -0.200 4.356 4.556 0.001 0.000 0.299 204 H C 1.706 176.909 175.328 -0.209 0.000 1.058 204 H CA 2.246 58.109 56.048 -0.307 0.000 1.246 204 H CB -0.800 28.718 29.762 -0.407 0.000 1.376 204 H HN 0.319 nan 8.280 nan 0.000 0.503 205 F N 1.386 121.076 119.950 -0.433 0.000 2.053 205 F HA -0.384 4.144 4.527 0.001 0.000 0.295 205 F C 2.712 177.984 175.800 -0.881 0.000 1.102 205 F CA 3.222 60.858 58.000 -0.606 0.000 1.225 205 F CB -1.223 37.470 39.000 -0.512 0.000 0.961 205 F HN 0.493 nan 8.300 nan 0.000 0.495 206 T N -3.066 110.952 114.554 -0.892 0.000 2.904 206 T HA -0.197 4.154 4.350 0.001 0.000 0.267 206 T C 1.519 175.471 174.700 -1.247 0.000 1.059 206 T CA 1.620 62.831 62.100 -1.482 0.000 1.137 206 T CB -0.939 67.490 68.868 -0.732 0.000 0.879 206 T HN 0.443 nan 8.240 nan 0.000 0.467 207 H N 1.773 120.396 119.070 -0.746 0.000 2.562 207 H HA 0.156 4.713 4.556 0.001 0.000 0.274 207 H C 2.274 177.252 175.328 -0.583 0.000 1.038 207 H CA 0.744 56.529 56.048 -0.439 0.000 1.161 207 H CB -0.329 29.397 29.762 -0.060 0.000 1.318 207 H HN 0.771 nan 8.280 nan 0.000 0.617 208 Q N -0.180 119.055 119.800 -0.942 0.000 2.339 208 Q HA -0.042 4.298 4.340 0.001 0.000 0.205 208 Q C 0.829 176.432 176.000 -0.662 0.000 0.925 208 Q CA 0.855 56.137 55.803 -0.868 0.000 0.898 208 Q CB -0.032 27.948 28.738 -1.263 0.000 1.013 208 Q HN 0.547 nan 8.270 nan 0.000 0.504 209 F N -2.225 117.325 119.950 -0.668 0.000 2.727 209 F HA 0.472 5.000 4.527 0.001 0.000 0.302 209 F C -0.176 175.242 175.800 -0.636 0.000 1.107 209 F CA -1.102 56.506 58.000 -0.654 0.000 1.277 209 F CB 0.338 38.921 39.000 -0.694 0.000 1.079 209 F HN -0.215 nan 8.300 nan 0.000 0.594 210 F N 3.336 123.083 119.950 -0.337 0.000 2.313 210 F HA 0.505 5.033 4.527 0.001 0.000 0.369 210 F C -0.182 175.455 175.800 -0.272 0.000 1.109 210 F CA -1.233 56.625 58.000 -0.238 0.000 1.132 210 F CB 0.917 39.634 39.000 -0.471 0.000 1.291 210 F HN -0.106 nan 8.300 nan 0.000 0.496 211 K N 2.228 122.650 120.400 0.037 0.000 2.756 211 K HA 0.240 4.560 4.320 0.001 0.000 0.218 211 K C -0.647 175.967 176.600 0.024 0.000 1.057 211 K CA -0.429 55.840 56.287 -0.030 0.000 1.056 211 K CB 1.352 33.792 32.500 -0.100 0.000 1.235 211 K HN 0.382 nan 8.250 nan 0.000 0.547 212 T N 1.059 115.675 114.554 0.103 0.000 2.916 212 T HA 0.037 4.388 4.350 0.001 0.000 0.303 212 T C 0.560 175.293 174.700 0.054 0.000 1.025 212 T CA 0.204 62.390 62.100 0.143 0.000 1.142 212 T CB 0.885 69.877 68.868 0.206 0.000 0.947 212 T HN 0.207 nan 8.240 nan 0.000 0.544 213 S N 2.263 117.984 115.700 0.035 0.000 2.465 213 S HA 0.271 4.741 4.470 0.001 0.000 0.280 213 S C 1.739 176.337 174.600 -0.002 0.000 1.232 213 S CA -0.415 57.782 58.200 -0.005 0.000 1.066 213 S CB 0.543 63.712 63.200 -0.051 0.000 0.929 213 S HN 0.884 nan 8.310 nan 0.000 0.494 214 G N 4.384 113.178 108.800 -0.011 0.000 2.459 214 G HA2 -0.267 3.694 3.960 0.001 0.000 0.217 214 G HA3 -0.267 3.694 3.960 0.001 0.000 0.217 214 G C 1.376 176.252 174.900 -0.039 0.000 1.183 214 G CA 1.316 46.406 45.100 -0.017 0.000 0.776 214 G HN 0.732 nan 8.290 nan 0.000 0.552 215 K N -0.233 120.128 120.400 -0.064 0.000 2.186 215 K HA 0.281 4.601 4.320 0.001 0.000 0.202 215 K C 2.228 178.731 176.600 -0.163 0.000 1.052 215 K CA 0.872 57.103 56.287 -0.094 0.000 0.965 215 K CB -0.258 32.189 32.500 -0.088 0.000 0.746 215 K HN 0.340 nan 8.250 nan 0.000 0.457 216 M N 0.454 119.915 119.600 -0.232 0.000 2.435 216 M HA 0.202 4.683 4.480 0.001 0.000 0.265 216 M C 0.576 176.692 176.300 -0.306 0.000 1.104 216 M CA 0.703 55.719 55.300 -0.474 0.000 1.140 216 M CB 0.076 32.189 32.600 -0.812 0.000 1.372 216 M HN 0.470 nan 8.290 nan 0.000 0.456 217 G N 1.100 109.856 108.800 -0.074 0.000 2.627 217 G HA2 -0.144 3.817 3.960 0.001 0.000 0.214 217 G HA3 -0.144 3.817 3.960 0.001 0.000 0.214 217 G C -2.903 172.117 174.900 0.200 0.000 1.331 217 G CA -1.162 43.970 45.100 0.053 0.000 0.891 217 G HN 0.140 nan 8.290 nan 0.000 0.539 218 P HA 0.334 nan 4.420 nan 0.000 0.267 218 P C 1.152 178.590 177.300 0.230 0.000 1.200 218 P CA 2.065 65.275 63.100 0.182 0.000 0.772 218 P CB 0.584 32.355 31.700 0.117 0.000 0.855 219 G N 0.768 109.694 108.800 0.210 0.000 2.225 219 G HA2 -0.240 3.721 3.960 0.001 0.000 0.254 219 G HA3 -0.240 3.721 3.960 0.001 0.000 0.254 219 G C -0.152 174.678 174.900 -0.117 0.000 0.988 219 G CA -0.278 44.891 45.100 0.115 0.000 0.625 219 G HN 0.441 nan 8.290 nan 0.000 0.527 220 F N 0.317 120.232 119.950 -0.058 0.000 2.497 220 F HA 0.799 5.327 4.527 0.001 0.000 0.331 220 F C 0.659 176.205 175.800 -0.423 0.000 1.060 220 F CA 0.018 57.837 58.000 -0.303 0.000 0.989 220 F CB 2.351 41.175 39.000 -0.293 0.000 1.245 220 F HN 0.048 nan 8.300 nan 0.000 0.486 221 T N 0.346 114.714 114.554 -0.309 0.000 2.956 221 T HA 0.270 4.621 4.350 0.001 0.000 0.312 221 T C 0.225 174.780 174.700 -0.242 0.000 1.151 221 T CA -0.756 61.081 62.100 -0.439 0.000 1.024 221 T CB 1.330 69.603 68.868 -0.992 0.000 1.140 221 T HN 0.586 nan 8.240 nan 0.000 0.473 222 K N 1.904 122.196 120.400 -0.179 0.000 2.243 222 K HA 0.220 4.540 4.320 0.001 0.000 0.201 222 K C 1.108 177.608 176.600 -0.166 0.000 1.051 222 K CA 0.374 56.580 56.287 -0.136 0.000 0.970 222 K CB 0.077 32.518 32.500 -0.098 0.000 0.755 222 K HN 0.580 nan 8.250 nan 0.000 0.465 223 A N 2.469 125.152 122.820 -0.230 0.000 2.990 223 A HA 0.211 4.531 4.320 0.001 0.000 0.282 223 A C 1.079 178.468 177.584 -0.325 0.000 1.688 223 A CA -0.133 51.757 52.037 -0.245 0.000 1.391 223 A CB -0.912 17.935 19.000 -0.256 0.000 1.112 223 A HN 0.179 nan 8.150 nan 0.000 0.588 224 L N 1.140 122.260 121.223 -0.171 0.000 2.610 224 L HA 0.048 4.389 4.340 0.001 0.000 0.232 224 L C 2.321 179.263 176.870 0.121 0.000 1.149 224 L CA 0.691 55.515 54.840 -0.027 0.000 0.872 224 L CB -0.233 41.837 42.059 0.019 0.000 0.992 224 L HN 0.649 nan 8.230 nan 0.000 0.447 225 G N -1.635 107.177 108.800 0.020 0.000 2.421 225 G HA2 -0.183 3.778 3.960 0.001 0.000 0.217 225 G HA3 -0.183 3.778 3.960 0.001 0.000 0.217 225 G C 0.765 175.751 174.900 0.143 0.000 1.143 225 G CA 0.216 45.357 45.100 0.068 0.000 0.784 225 G HN 0.602 nan 8.290 nan 0.000 0.541 226 H N -0.565 118.486 119.070 -0.032 0.000 2.958 226 H HA -0.178 4.379 4.556 0.001 0.000 0.274 226 H C 1.201 176.486 175.328 -0.073 0.000 1.184 226 H CA 0.984 57.011 56.048 -0.035 0.000 1.143 226 H CB -1.326 28.414 29.762 -0.036 0.000 1.297 226 H HN 0.750 nan 8.280 nan 0.000 0.356 227 G N -1.189 107.625 108.800 0.024 0.000 2.637 227 G HA2 0.297 4.257 3.960 0.001 0.000 0.112 227 G HA3 0.297 4.257 3.960 0.001 0.000 0.112 227 G C -0.657 174.263 174.900 0.034 0.000 1.181 227 G CA -0.099 44.954 45.100 -0.079 0.000 1.150 227 G HN 0.147 nan 8.290 nan 0.000 0.561 228 V N 2.817 122.752 119.914 0.035 0.000 2.096 228 V HA 0.254 4.374 4.120 0.001 0.000 0.259 228 V C 0.429 176.575 176.094 0.087 0.000 1.420 228 V CA 0.583 62.922 62.300 0.067 0.000 1.336 228 V CB 0.108 32.015 31.823 0.140 0.000 1.394 228 V HN 0.715 nan 8.190 nan 0.000 0.494 229 D N 2.242 122.679 120.400 0.062 0.000 2.360 229 D HA 0.019 4.659 4.640 0.001 0.000 0.210 229 D C 1.002 177.392 176.300 0.150 0.000 1.047 229 D CA -0.390 53.673 54.000 0.105 0.000 0.854 229 D CB 0.278 41.129 40.800 0.086 0.000 0.936 229 D HN 0.256 nan 8.370 nan 0.000 0.514 230 L N 0.266 121.551 121.223 0.102 0.000 4.040 230 L HA -0.141 4.200 4.340 0.001 0.000 0.410 230 L C 1.614 178.580 176.870 0.160 0.000 1.187 230 L CA 0.630 55.560 54.840 0.150 0.000 0.956 230 L CB -1.972 40.140 42.059 0.088 0.000 2.022 230 L HN 0.320 nan 8.230 nan 0.000 0.897 231 G N -0.772 108.096 108.800 0.114 0.000 2.708 231 G HA2 -0.174 3.786 3.960 0.001 0.000 0.210 231 G HA3 -0.174 3.786 3.960 0.001 0.000 0.210 231 G C 1.080 175.963 174.900 -0.028 0.000 1.141 231 G CA 0.680 45.809 45.100 0.048 0.000 0.788 231 G HN 0.816 nan 8.290 nan 0.000 0.531 232 H N -1.194 117.694 119.070 -0.303 0.000 2.551 232 H HA 0.343 4.899 4.556 0.001 0.000 0.271 232 H C 1.557 176.701 175.328 -0.306 0.000 0.984 232 H CA -0.582 55.221 56.048 -0.408 0.000 1.164 232 H CB -0.142 29.346 29.762 -0.456 0.000 1.437 232 H HN 0.428 nan 8.280 nan 0.000 0.550 233 I N -0.867 119.437 120.570 -0.444 0.000 3.673 233 I HA -0.005 4.166 4.170 0.001 0.000 0.281 233 I C 0.707 176.547 176.117 -0.462 0.000 1.182 233 I CA 0.046 60.995 61.300 -0.584 0.000 1.391 233 I CB 0.302 37.712 38.000 -0.983 0.000 1.383 233 I HN -0.043 nan 8.210 nan 0.000 0.456 234 Y N 1.684 121.990 120.300 0.010 0.000 2.485 234 Y HA 0.540 5.091 4.550 0.001 0.000 0.260 234 Y C 1.138 177.058 175.900 0.034 0.000 1.173 234 Y CA -0.220 57.926 58.100 0.078 0.000 1.252 234 Y CB -0.359 38.231 38.460 0.217 0.000 1.123 234 Y HN 0.154 nan 8.280 nan 0.000 0.524 235 G N 1.337 110.169 108.800 0.052 0.000 2.781 235 G HA2 -0.272 3.689 3.960 0.001 0.000 0.683 235 G HA3 -0.272 3.689 3.960 0.001 0.000 0.683 235 G C -0.052 174.851 174.900 0.006 0.000 1.390 235 G CA -0.151 44.946 45.100 -0.005 0.000 0.850 235 G HN 0.429 nan 8.290 nan 0.000 0.557 236 D N -0.849 119.526 120.400 -0.041 0.000 2.339 236 D HA 0.213 4.853 4.640 0.001 0.000 0.217 236 D C 0.698 176.979 176.300 -0.031 0.000 1.050 236 D CA 0.705 54.679 54.000 -0.043 0.000 0.856 236 D CB -0.099 40.652 40.800 -0.081 0.000 0.922 236 D HN 0.972 nan 8.370 nan 0.000 0.518 237 N N -1.641 117.043 118.700 -0.028 0.000 2.329 237 N HA 0.218 4.959 4.740 0.001 0.000 0.282 237 N C 0.084 175.555 175.510 -0.065 0.000 1.198 237 N CA -1.006 52.016 53.050 -0.048 0.000 0.790 237 N CB 1.634 40.084 38.487 -0.061 0.000 1.579 237 N HN -0.110 nan 8.380 nan 0.000 0.475 238 L N 0.808 121.953 121.223 -0.130 0.000 2.012 238 L HA -0.029 4.311 4.340 0.001 0.000 0.210 238 L C 1.814 178.466 176.870 -0.362 0.000 1.073 238 L CA 2.033 56.706 54.840 -0.277 0.000 0.748 238 L CB -0.683 41.139 42.059 -0.394 0.000 0.891 238 L HN 0.777 nan 8.230 nan 0.000 0.431 239 E N -0.492 119.552 120.200 -0.259 0.000 2.058 239 E HA -0.260 4.091 4.350 0.001 0.000 0.194 239 E C 2.339 178.933 176.600 -0.010 0.000 0.997 239 E CA 1.748 58.058 56.400 -0.150 0.000 0.801 239 E CB -0.351 29.296 29.700 -0.089 0.000 0.746 239 E HN 0.437 nan 8.360 nan 0.000 0.450 240 R N 0.675 121.164 120.500 -0.017 0.000 2.075 240 R HA -0.161 4.180 4.340 0.001 0.000 0.232 240 R C 2.361 178.697 176.300 0.060 0.000 1.126 240 R CA 1.548 57.659 56.100 0.019 0.000 0.963 240 R CB -0.219 30.073 30.300 -0.013 0.000 0.858 240 R HN 0.241 nan 8.270 nan 0.000 0.435 241 Q N 0.123 119.955 119.800 0.053 0.000 2.062 241 Q HA -0.272 4.068 4.340 0.001 0.000 0.209 241 Q C 1.812 177.899 176.000 0.145 0.000 0.996 241 Q CA 2.244 58.107 55.803 0.100 0.000 0.859 241 Q CB -0.481 28.308 28.738 0.085 0.000 0.920 241 Q HN 0.621 nan 8.270 nan 0.000 0.415 242 Y N -0.139 120.162 120.300 0.001 0.000 2.207 242 Y HA -0.279 4.272 4.550 0.001 0.000 0.287 242 Y C 2.646 178.659 175.900 0.189 0.000 1.156 242 Y CA 0.885 59.073 58.100 0.146 0.000 1.182 242 Y CB 0.113 38.700 38.460 0.211 0.000 0.979 242 Y HN 0.324 nan 8.280 nan 0.000 0.521 243 Q N 0.377 120.329 119.800 0.253 0.000 2.224 243 Q HA -0.110 4.231 4.340 0.001 0.000 0.203 243 Q C 1.806 177.870 176.000 0.108 0.000 0.970 243 Q CA 1.214 57.114 55.803 0.161 0.000 0.865 243 Q CB -0.168 28.629 28.738 0.099 0.000 0.922 243 Q HN 0.506 nan 8.270 nan 0.000 0.445 244 L N -0.710 120.558 121.223 0.076 0.000 2.375 244 L HA 0.131 4.472 4.340 0.001 0.000 0.215 244 L C 0.497 177.369 176.870 0.005 0.000 1.108 244 L CA 0.075 54.945 54.840 0.050 0.000 0.830 244 L CB 0.099 42.197 42.059 0.064 0.000 0.959 244 L HN -0.095 nan 8.230 nan 0.000 0.457 245 R N 0.499 120.928 120.500 -0.118 0.000 2.438 245 R HA 0.103 4.443 4.340 0.001 0.000 0.287 245 R C 1.108 177.294 176.300 -0.189 0.000 1.077 245 R CA -0.238 55.651 56.100 -0.351 0.000 1.034 245 R CB 0.983 30.644 30.300 -1.065 0.000 0.993 245 R HN 0.160 nan 8.270 nan 0.000 0.459 246 L N 2.508 123.678 121.223 -0.088 0.000 2.042 246 L HA -0.186 4.154 4.340 0.001 0.000 0.210 246 L C 0.491 177.434 176.870 0.121 0.000 1.076 246 L CA 1.559 56.427 54.840 0.047 0.000 0.749 246 L CB -0.099 42.024 42.059 0.106 0.000 0.893 246 L HN 0.809 nan 8.230 nan 0.000 0.432 247 F N -1.769 118.162 119.950 -0.031 0.000 2.794 247 F HA -0.289 4.239 4.527 0.001 0.000 0.335 247 F C 0.658 176.450 175.800 -0.013 0.000 0.653 247 F CA 0.822 58.780 58.000 -0.070 0.000 1.266 247 F CB -1.895 37.025 39.000 -0.134 0.000 1.666 247 F HN 0.144 nan 8.300 nan 0.000 0.314 248 K N 0.407 120.892 120.400 0.140 0.000 2.244 248 K HA 0.616 4.937 4.320 0.001 0.000 0.260 248 K C 0.574 177.248 176.600 0.122 0.000 0.951 248 K CA 0.048 56.410 56.287 0.124 0.000 0.826 248 K CB 0.833 33.401 32.500 0.113 0.000 1.108 248 K HN 0.249 nan 8.250 nan 0.000 0.433 249 D N 1.104 121.580 120.400 0.126 0.000 3.076 249 D HA -0.206 4.435 4.640 0.001 0.000 0.218 249 D C 0.998 177.396 176.300 0.164 0.000 1.156 249 D CA 2.399 56.482 54.000 0.138 0.000 0.921 249 D CB -1.365 39.510 40.800 0.126 0.000 1.113 249 D HN 1.933 nan 8.370 nan 0.000 0.418 250 G N -0.212 108.686 108.800 0.163 0.000 2.179 250 G HA2 -0.376 3.585 3.960 0.001 0.000 0.260 250 G HA3 -0.376 3.585 3.960 0.001 0.000 0.260 250 G C 0.393 175.500 174.900 0.345 0.000 0.977 250 G CA 0.903 46.145 45.100 0.238 0.000 0.641 250 G HN 0.468 nan 8.290 nan 0.000 0.533 251 K N -0.448 120.096 120.400 0.239 0.000 2.138 251 K HA 0.542 4.862 4.320 0.001 0.000 0.251 251 K C 0.240 176.949 176.600 0.182 0.000 1.015 251 K CA -0.695 55.749 56.287 0.262 0.000 0.917 251 K CB 0.673 33.291 32.500 0.196 0.000 1.021 251 K HN 0.041 nan 8.250 nan 0.000 0.485 252 L N 1.947 123.267 121.223 0.161 0.000 2.379 252 L HA 0.224 4.564 4.340 0.001 0.000 0.269 252 L C 0.351 177.347 176.870 0.211 0.000 1.084 252 L CA 0.017 54.920 54.840 0.106 0.000 0.802 252 L CB 0.732 42.823 42.059 0.054 0.000 1.175 252 L HN 0.423 nan 8.230 nan 0.000 0.448 253 K N 1.729 122.228 120.400 0.166 0.000 2.380 253 K HA 0.286 4.607 4.320 0.001 0.000 0.267 253 K C -1.220 175.560 176.600 0.300 0.000 0.990 253 K CA 0.519 56.921 56.287 0.192 0.000 0.946 253 K CB 0.421 32.974 32.500 0.089 0.000 0.937 253 K HN 0.577 nan 8.250 nan 0.000 0.491 254 Y N -1.871 118.460 120.300 0.052 0.000 2.624 254 Y HA 0.275 4.826 4.550 0.001 0.000 0.334 254 Y C -1.781 174.155 175.900 0.060 0.000 1.155 254 Y CA -1.415 56.720 58.100 0.059 0.000 1.046 254 Y CB 1.099 39.588 38.460 0.050 0.000 1.316 254 Y HN 0.528 nan 8.280 nan 0.000 0.457 255 Q N 2.780 122.645 119.800 0.108 0.000 2.321 255 Q HA 0.561 4.902 4.340 0.001 0.000 0.270 255 Q C -1.244 174.847 176.000 0.151 0.000 1.032 255 Q CA -1.177 54.645 55.803 0.032 0.000 0.784 255 Q CB 2.354 31.124 28.738 0.052 0.000 1.264 255 Q HN 0.610 nan 8.270 nan 0.000 0.448 256 M N 3.505 123.156 119.600 0.086 0.000 2.200 256 M HA 0.365 4.846 4.480 0.001 0.000 0.355 256 M C -0.926 175.460 176.300 0.144 0.000 1.283 256 M CA 0.062 55.438 55.300 0.126 0.000 1.124 256 M CB 0.030 32.679 32.600 0.082 0.000 1.625 256 M HN 0.749 nan 8.290 nan 0.000 0.463 257 L N 4.243 125.597 121.223 0.219 0.000 2.516 257 L HA 0.342 4.683 4.340 0.001 0.000 0.267 257 L C 0.189 177.181 176.870 0.202 0.000 0.957 257 L CA -0.438 54.525 54.840 0.205 0.000 0.860 257 L CB 1.805 43.995 42.059 0.219 0.000 1.265 257 L HN 0.724 nan 8.230 nan 0.000 0.403 258 N N 2.685 121.449 118.700 0.107 0.000 2.693 258 N HA -0.230 4.511 4.740 0.001 0.000 0.249 258 N C 0.937 176.490 175.510 0.072 0.000 1.119 258 N CA 1.419 54.516 53.050 0.079 0.000 0.717 258 N CB -0.759 37.776 38.487 0.081 0.000 1.071 258 N HN 1.159 nan 8.380 nan 0.000 0.555 259 G N -1.552 107.288 108.800 0.066 0.000 2.176 259 G HA2 -0.295 3.666 3.960 0.001 0.000 0.253 259 G HA3 -0.295 3.666 3.960 0.001 0.000 0.253 259 G C -0.249 174.662 174.900 0.017 0.000 0.979 259 G CA 0.607 45.731 45.100 0.041 0.000 0.641 259 G HN 0.422 nan 8.290 nan 0.000 0.530 260 E N -0.170 120.041 120.200 0.017 0.000 2.207 260 E HA 0.593 4.943 4.350 0.001 0.000 0.270 260 E C 0.104 176.519 176.600 -0.309 0.000 0.927 260 E CA -0.764 55.544 56.400 -0.153 0.000 0.799 260 E CB 2.255 31.841 29.700 -0.191 0.000 1.172 260 E HN 0.132 nan 8.360 nan 0.000 0.404 261 V N 3.290 122.959 119.914 -0.409 0.000 2.530 261 V HA 0.220 4.341 4.120 0.001 0.000 0.282 261 V C -0.641 175.106 176.094 -0.578 0.000 1.048 261 V CA 0.089 62.229 62.300 -0.266 0.000 0.997 261 V CB -0.250 31.472 31.823 -0.169 0.000 0.987 261 V HN 0.513 nan 8.190 nan 0.000 0.477 262 Y N 4.258 124.639 120.300 0.135 0.000 2.609 262 Y HA 0.480 5.031 4.550 0.001 0.000 0.342 262 Y C -2.407 173.568 175.900 0.125 0.000 1.058 262 Y CA -2.848 55.311 58.100 0.097 0.000 1.055 262 Y CB 2.208 40.705 38.460 0.061 0.000 1.292 262 Y HN 0.421 nan 8.280 nan 0.000 0.476 263 P HA 0.060 nan 4.420 nan 0.000 0.268 263 P C -2.500 174.901 177.300 0.169 0.000 1.205 263 P CA -0.934 62.288 63.100 0.204 0.000 0.771 263 P CB 0.095 31.900 31.700 0.175 0.000 0.858 264 P HA 0.009 nan 4.420 nan 0.000 0.275 264 P C -0.356 176.973 177.300 0.048 0.000 1.270 264 P CA -0.086 63.059 63.100 0.076 0.000 0.791 264 P CB 0.312 32.042 31.700 0.051 0.000 1.089 265 S N -1.171 114.536 115.700 0.012 0.000 2.592 265 S HA 0.116 4.586 4.470 0.001 0.000 0.271 265 S C 1.487 176.077 174.600 -0.018 0.000 1.326 265 S CA -0.738 57.451 58.200 -0.020 0.000 1.024 265 S CB 0.159 63.334 63.200 -0.042 0.000 0.921 265 S HN 0.229 nan 8.310 nan 0.000 0.527 266 V N 2.047 121.938 119.914 -0.039 0.000 2.688 266 V HA -0.217 3.904 4.120 0.001 0.000 0.256 266 V C 2.730 178.808 176.094 -0.027 0.000 1.084 266 V CA 2.306 64.588 62.300 -0.030 0.000 1.103 266 V CB -1.486 30.309 31.823 -0.048 0.000 0.688 266 V HN 1.053 nan 8.190 nan 0.000 0.480 267 E N 0.876 121.055 120.200 -0.036 0.000 2.072 267 E HA -0.186 4.164 4.350 0.001 0.000 0.190 267 E C 2.067 178.656 176.600 -0.018 0.000 0.982 267 E CA 1.432 57.815 56.400 -0.029 0.000 0.803 267 E CB -0.332 29.347 29.700 -0.035 0.000 0.755 267 E HN 0.601 nan 8.360 nan 0.000 0.453 268 E N 1.774 121.964 120.200 -0.016 0.000 2.107 268 E HA 0.190 4.541 4.350 0.001 0.000 0.191 268 E C 1.225 177.828 176.600 0.006 0.000 0.982 268 E CA 1.106 57.500 56.400 -0.009 0.000 0.809 268 E CB -0.062 29.628 29.700 -0.016 0.000 0.756 268 E HN 0.479 nan 8.360 nan 0.000 0.459 269 A N 1.127 123.954 122.820 0.012 0.000 2.763 269 A HA 0.584 4.904 4.320 0.001 0.000 0.325 269 A C -2.909 174.687 177.584 0.020 0.000 1.209 269 A CA -1.412 50.641 52.037 0.026 0.000 0.764 269 A CB 1.070 20.093 19.000 0.039 0.000 1.120 269 A HN 0.084 nan 8.150 nan 0.000 0.463 270 P HA 0.312 nan 4.420 nan 0.000 0.268 270 P C -0.285 177.018 177.300 0.005 0.000 1.541 270 P CA 0.133 63.236 63.100 0.005 0.000 1.093 270 P CB 0.450 32.151 31.700 0.003 0.000 1.551 271 V N 1.349 121.263 119.914 -0.000 0.000 2.823 271 V HA 0.392 4.512 4.120 0.001 0.000 0.312 271 V C -0.034 176.041 176.094 -0.031 0.000 1.072 271 V CA -1.433 60.859 62.300 -0.013 0.000 0.937 271 V CB 2.413 34.228 31.823 -0.012 0.000 1.013 271 V HN 0.198 nan 8.190 nan 0.000 0.430 272 L N 4.738 125.929 121.223 -0.055 0.000 2.698 272 L HA 0.225 4.565 4.340 0.001 0.000 0.272 272 L C -0.601 176.177 176.870 -0.154 0.000 1.154 272 L CA 1.124 55.911 54.840 -0.090 0.000 0.964 272 L CB 0.203 42.200 42.059 -0.103 0.000 1.272 272 L HN 0.743 nan 8.230 nan 0.000 0.483 273 M N 5.395 124.942 119.600 -0.088 0.000 2.393 273 M HA 0.203 4.684 4.480 0.001 0.000 0.316 273 M C 0.184 176.504 176.300 0.034 0.000 1.087 273 M CA -0.411 54.865 55.300 -0.039 0.000 0.937 273 M CB 1.391 34.091 32.600 0.168 0.000 1.668 273 M HN 0.484 nan 8.290 nan 0.000 0.438 274 H N 1.328 120.455 119.070 0.095 0.000 2.708 274 H HA 0.172 4.728 4.556 0.001 0.000 0.309 274 H C -0.652 174.720 175.328 0.074 0.000 1.084 274 H CA -0.176 55.913 56.048 0.069 0.000 1.165 274 H CB -0.223 29.562 29.762 0.038 0.000 1.388 274 H HN 0.415 nan 8.280 nan 0.000 0.553 275 Y N 1.314 121.692 120.300 0.130 0.000 2.607 275 Y HA -0.019 4.531 4.550 0.001 0.000 0.348 275 Y C -1.386 174.534 175.900 0.034 0.000 1.261 275 Y CA -1.878 56.273 58.100 0.084 0.000 1.480 275 Y CB 0.070 38.557 38.460 0.045 0.000 1.358 275 Y HN 0.257 nan 8.280 nan 0.000 0.630 276 P HA 0.167 nan 4.420 nan 0.000 0.271 276 P C -0.534 176.787 177.300 0.034 0.000 1.233 276 P CA -0.203 62.895 63.100 -0.005 0.000 0.789 276 P CB 0.366 31.986 31.700 -0.134 0.000 0.951 277 R N 0.654 121.152 120.500 -0.003 0.000 2.490 277 R HA 0.524 4.864 4.340 0.001 0.000 0.278 277 R C 1.415 177.708 176.300 -0.012 0.000 1.069 277 R CA 0.072 56.173 56.100 0.001 0.000 1.080 277 R CB -1.014 29.283 30.300 -0.004 0.000 1.030 277 R HN 0.912 nan 8.270 nan 0.000 0.491 278 G N 0.113 108.906 108.800 -0.013 0.000 2.299 278 G HA2 -0.201 3.760 3.960 0.001 0.000 0.237 278 G HA3 -0.201 3.760 3.960 0.001 0.000 0.237 278 G C 0.423 175.307 174.900 -0.027 0.000 1.027 278 G CA 0.140 45.228 45.100 -0.020 0.000 0.619 278 G HN 0.764 nan 8.290 nan 0.000 0.513 279 I N 3.230 123.787 120.570 -0.021 0.000 2.741 279 I HA 0.153 4.324 4.170 0.001 0.000 0.288 279 I C -1.672 174.390 176.117 -0.092 0.000 1.192 279 I CA -1.898 59.377 61.300 -0.041 0.000 1.426 279 I CB -0.191 37.813 38.000 0.007 0.000 1.367 279 I HN -0.023 nan 8.210 nan 0.000 0.563 280 P HA 0.036 nan 4.420 nan 0.000 0.256 280 P C -1.938 175.254 177.300 -0.180 0.000 1.173 280 P CA -0.756 62.273 63.100 -0.119 0.000 0.768 280 P CB -0.097 31.538 31.700 -0.107 0.000 0.758 281 P HA -0.170 nan 4.420 nan 0.000 0.223 281 P C 1.500 178.717 177.300 -0.140 0.000 1.144 281 P CA 1.593 64.606 63.100 -0.145 0.000 0.783 281 P CB -0.368 31.281 31.700 -0.084 0.000 0.771 282 Q N -0.738 118.991 119.800 -0.119 0.000 2.451 282 Q HA 0.088 4.429 4.340 0.001 0.000 0.206 282 Q C 2.087 178.016 176.000 -0.119 0.000 0.947 282 Q CA 1.511 57.255 55.803 -0.098 0.000 0.937 282 Q CB -0.953 27.742 28.738 -0.072 0.000 1.025 282 Q HN 0.213 nan 8.270 nan 0.000 0.511 283 S N -1.262 114.332 115.700 -0.178 0.000 2.613 283 S HA 0.109 4.579 4.470 0.001 0.000 0.235 283 S C 0.588 175.000 174.600 -0.313 0.000 1.073 283 S CA -0.171 57.913 58.200 -0.194 0.000 0.899 283 S CB 0.243 63.339 63.200 -0.174 0.000 0.818 283 S HN 0.746 nan 8.310 nan 0.000 0.484 284 Q N 1.439 120.915 119.800 -0.540 0.000 2.269 284 Q HA 0.092 4.433 4.340 0.001 0.000 0.300 284 Q C -0.564 175.282 176.000 -0.258 0.000 1.070 284 Q CA 0.653 55.919 55.803 -0.896 0.000 0.957 284 Q CB 0.405 28.699 28.738 -0.740 0.000 1.131 284 Q HN 0.479 nan 8.270 nan 0.000 0.377 285 M N 1.457 121.079 119.600 0.037 0.000 2.342 285 M HA 0.432 4.913 4.480 0.001 0.000 0.332 285 M C -0.399 175.999 176.300 0.164 0.000 1.166 285 M CA -0.487 54.885 55.300 0.120 0.000 1.086 285 M CB 1.534 34.223 32.600 0.149 0.000 1.541 285 M HN 0.620 nan 8.290 nan 0.000 0.462 286 A N 2.969 125.854 122.820 0.109 0.000 2.256 286 A HA 0.681 5.002 4.320 0.001 0.000 0.317 286 A C -0.506 177.131 177.584 0.087 0.000 1.318 286 A CA -0.600 51.490 52.037 0.088 0.000 0.894 286 A CB 0.234 19.266 19.000 0.054 0.000 1.165 286 A HN 0.742 nan 8.150 nan 0.000 0.525 287 V N 0.115 120.072 119.914 0.072 0.000 3.119 287 V HA 0.904 5.024 4.120 0.001 0.000 0.311 287 V C 1.059 177.122 176.094 -0.052 0.000 1.259 287 V CA 0.027 62.353 62.300 0.044 0.000 1.067 287 V CB 1.057 32.960 31.823 0.133 0.000 1.123 287 V HN 0.845 nan 8.190 nan 0.000 0.463 288 G N -1.125 107.600 108.800 -0.124 0.000 2.464 288 G HA2 0.026 3.987 3.960 0.001 0.000 0.217 288 G HA3 0.026 3.987 3.960 0.001 0.000 0.217 288 G C 0.680 175.404 174.900 -0.292 0.000 1.138 288 G CA 0.406 45.402 45.100 -0.173 0.000 0.793 288 G HN 0.579 nan 8.290 nan 0.000 0.539 289 Q N 0.236 119.705 119.800 -0.552 0.000 2.325 289 Q HA 0.267 4.608 4.340 0.001 0.000 0.262 289 Q C 0.535 176.218 176.000 -0.529 0.000 0.968 289 Q CA -0.244 55.086 55.803 -0.787 0.000 0.877 289 Q CB 1.826 29.482 28.738 -1.802 0.000 1.253 289 Q HN 0.288 nan 8.270 nan 0.000 0.448 290 E N 1.456 121.474 120.200 -0.303 0.000 2.209 290 E HA -0.171 4.180 4.350 0.001 0.000 0.196 290 E C 1.531 178.095 176.600 -0.060 0.000 0.993 290 E CA 1.550 57.820 56.400 -0.216 0.000 0.819 290 E CB 0.071 29.545 29.700 -0.377 0.000 0.745 290 E HN 0.540 nan 8.360 nan 0.000 0.477 291 V N -2.540 117.389 119.914 0.025 0.000 3.506 291 V HA 0.047 4.167 4.120 0.001 0.000 0.263 291 V C 1.472 177.700 176.094 0.223 0.000 1.203 291 V CA 0.294 62.697 62.300 0.172 0.000 1.133 291 V CB -0.473 31.492 31.823 0.237 0.000 0.802 291 V HN -0.004 nan 8.190 nan 0.000 0.459 292 F N 3.242 123.176 119.950 -0.028 0.000 2.307 292 F HA 0.094 4.622 4.527 0.001 0.000 0.301 292 F C 2.420 178.152 175.800 -0.114 0.000 1.076 292 F CA 0.974 58.949 58.000 -0.042 0.000 1.383 292 F CB -1.401 37.606 39.000 0.012 0.000 1.055 292 F HN 0.381 nan 8.300 nan 0.000 0.526 293 G N -0.592 108.188 108.800 -0.034 0.000 2.625 293 G HA2 -0.094 3.867 3.960 0.001 0.000 0.214 293 G HA3 -0.094 3.867 3.960 0.001 0.000 0.214 293 G C 1.690 176.284 174.900 -0.510 0.000 1.132 293 G CA 0.271 45.118 45.100 -0.421 0.000 0.782 293 G HN 0.372 nan 8.290 nan 0.000 0.538 294 L N -1.009 120.065 121.223 -0.249 0.000 2.354 294 L HA 0.380 4.721 4.340 0.001 0.000 0.212 294 L C 0.493 177.202 176.870 -0.267 0.000 1.091 294 L CA 0.275 55.021 54.840 -0.157 0.000 0.828 294 L CB 0.087 42.147 42.059 0.002 0.000 0.973 294 L HN 0.047 nan 8.230 nan 0.000 0.461 295 L N -0.667 120.399 121.223 -0.261 0.000 2.385 295 L HA 0.331 4.672 4.340 0.001 0.000 0.273 295 L C -1.862 174.757 176.870 -0.419 0.000 0.990 295 L CA -1.715 52.885 54.840 -0.399 0.000 0.821 295 L CB 1.827 43.744 42.059 -0.238 0.000 1.279 295 L HN -0.316 nan 8.230 nan 0.000 0.412 296 P HA -0.133 nan 4.420 nan 0.000 0.219 296 P C 1.521 178.603 177.300 -0.363 0.000 1.146 296 P CA 1.147 63.984 63.100 -0.439 0.000 0.808 296 P CB 0.293 31.671 31.700 -0.536 0.000 0.779 297 G N -0.050 108.397 108.800 -0.588 0.000 2.513 297 G HA2 -0.270 3.691 3.960 0.001 0.000 0.219 297 G HA3 -0.270 3.691 3.960 0.001 0.000 0.219 297 G C 1.289 175.955 174.900 -0.389 0.000 1.160 297 G CA 0.890 45.341 45.100 -1.081 0.000 0.767 297 G HN 0.156 nan 8.290 nan 0.000 0.571 298 L N -0.553 120.497 121.223 -0.289 0.000 2.044 298 L HA 0.192 4.533 4.340 0.001 0.000 0.205 298 L C 2.714 179.452 176.870 -0.220 0.000 1.075 298 L CA 1.329 55.969 54.840 -0.333 0.000 0.747 298 L CB -0.958 40.759 42.059 -0.570 0.000 0.903 298 L HN 0.176 nan 8.230 nan 0.000 0.435 299 M N -0.690 118.825 119.600 -0.143 0.000 2.202 299 M HA -0.192 4.289 4.480 0.001 0.000 0.262 299 M C 2.079 178.371 176.300 -0.014 0.000 1.063 299 M CA 1.459 56.747 55.300 -0.019 0.000 1.097 299 M CB -0.677 31.905 32.600 -0.031 0.000 1.382 299 M HN 0.225 nan 8.290 nan 0.000 0.413 300 L N -0.811 120.358 121.223 -0.091 0.000 1.970 300 L HA -0.214 4.126 4.340 0.001 0.000 0.212 300 L C 1.907 178.681 176.870 -0.159 0.000 1.071 300 L CA 2.039 56.802 54.840 -0.129 0.000 0.751 300 L CB -1.161 40.781 42.059 -0.195 0.000 0.889 300 L HN 0.342 nan 8.230 nan 0.000 0.432 301 Y N -0.074 120.134 120.300 -0.153 0.000 2.242 301 Y HA -0.118 4.433 4.550 0.001 0.000 0.291 301 Y C 2.567 178.407 175.900 -0.100 0.000 1.137 301 Y CA 1.355 59.282 58.100 -0.288 0.000 1.181 301 Y CB -1.008 36.981 38.460 -0.786 0.000 0.989 301 Y HN 0.351 nan 8.280 nan 0.000 0.527 302 A N -0.484 122.454 122.820 0.197 0.000 1.908 302 A HA -0.225 4.096 4.320 0.001 0.000 0.218 302 A C 2.293 180.004 177.584 0.211 0.000 1.181 302 A CA 2.355 54.585 52.037 0.322 0.000 0.627 302 A CB -1.247 17.975 19.000 0.369 0.000 0.818 302 A HN 0.425 nan 8.150 nan 0.000 0.445 303 T N 0.523 115.161 114.554 0.141 0.000 2.622 303 T HA -0.146 4.205 4.350 0.001 0.000 0.266 303 T C 1.835 176.561 174.700 0.044 0.000 1.047 303 T CA 1.624 63.792 62.100 0.113 0.000 1.159 303 T CB -0.460 68.483 68.868 0.124 0.000 0.863 303 T HN 0.432 nan 8.240 nan 0.000 0.422 304 I N -0.781 119.771 120.570 -0.030 0.000 2.127 304 I HA -0.212 3.959 4.170 0.001 0.000 0.241 304 I C 2.368 178.427 176.117 -0.097 0.000 1.075 304 I CA 1.635 62.855 61.300 -0.134 0.000 1.334 304 I CB -0.467 37.372 38.000 -0.267 0.000 1.040 304 I HN 0.363 nan 8.210 nan 0.000 0.405 305 W N 0.839 122.159 121.300 0.034 0.000 2.342 305 W HA -0.197 4.464 4.660 0.001 0.000 0.297 305 W C 2.519 179.069 176.519 0.052 0.000 1.213 305 W CA 0.720 58.093 57.345 0.048 0.000 1.251 305 W CB -0.409 29.062 29.460 0.017 0.000 1.136 305 W HN 0.132 nan 8.180 nan 0.000 0.526 306 L N 0.780 122.146 121.223 0.239 0.000 1.989 306 L HA -0.251 4.090 4.340 0.001 0.000 0.211 306 L C 2.627 179.573 176.870 0.127 0.000 1.071 306 L CA 1.862 56.799 54.840 0.163 0.000 0.749 306 L CB -0.476 41.654 42.059 0.119 0.000 0.890 306 L HN -0.074 nan 8.230 nan 0.000 0.431 307 R N -0.488 120.037 120.500 0.042 0.000 2.096 307 R HA -0.262 4.079 4.340 0.001 0.000 0.240 307 R C 2.208 178.522 176.300 0.023 0.000 1.139 307 R CA 1.765 57.851 56.100 -0.023 0.000 0.952 307 R CB -0.541 29.711 30.300 -0.081 0.000 0.854 307 R HN 0.378 nan 8.270 nan 0.000 0.436 308 E N 0.307 120.538 120.200 0.052 0.000 2.065 308 E HA -0.262 4.088 4.350 0.001 0.000 0.201 308 E C 1.786 178.485 176.600 0.165 0.000 1.016 308 E CA 2.046 58.499 56.400 0.088 0.000 0.818 308 E CB -0.294 29.477 29.700 0.118 0.000 0.749 308 E HN 0.474 nan 8.360 nan 0.000 0.453 309 H N -0.400 118.767 119.070 0.163 0.000 2.267 309 H HA -0.096 4.461 4.556 0.001 0.000 0.297 309 H C 1.873 177.266 175.328 0.109 0.000 1.080 309 H CA 2.179 58.335 56.048 0.179 0.000 1.278 309 H CB -0.158 29.756 29.762 0.252 0.000 1.365 309 H HN 0.141 nan 8.280 nan 0.000 0.489 310 N N 0.470 119.350 118.700 0.300 0.000 2.061 310 N HA -0.210 4.530 4.740 0.001 0.000 0.193 310 N C 2.068 177.600 175.510 0.036 0.000 1.030 310 N CA 1.428 54.556 53.050 0.130 0.000 0.856 310 N CB -0.514 37.944 38.487 -0.047 0.000 1.023 310 N HN 0.413 nan 8.380 nan 0.000 0.424 311 R N 0.840 121.348 120.500 0.014 0.000 2.096 311 R HA -0.096 4.244 4.340 0.001 0.000 0.240 311 R C 1.930 178.234 176.300 0.007 0.000 1.139 311 R CA 1.307 57.404 56.100 -0.004 0.000 0.952 311 R CB -0.453 29.840 30.300 -0.012 0.000 0.854 311 R HN 0.020 nan 8.270 nan 0.000 0.436 312 V N 0.549 120.470 119.914 0.012 0.000 2.392 312 V HA -0.362 3.758 4.120 0.001 0.000 0.249 312 V C 2.554 178.651 176.094 0.005 0.000 1.059 312 V CA 1.970 64.274 62.300 0.006 0.000 1.051 312 V CB -0.422 31.399 31.823 -0.003 0.000 0.658 312 V HN 0.585 nan 8.190 nan 0.000 0.455 313 C N -0.361 118.934 119.300 -0.009 0.000 2.413 313 C HA -0.168 4.293 4.460 0.001 0.000 0.276 313 C C 2.477 177.501 174.990 0.057 0.000 1.236 313 C CA 0.729 59.774 59.018 0.044 0.000 1.735 313 C CB -1.155 26.637 27.740 0.086 0.000 2.031 313 C HN 0.598 nan 8.230 nan 0.000 0.474 314 D N 0.932 121.354 120.400 0.036 0.000 2.106 314 D HA -0.143 4.498 4.640 0.001 0.000 0.191 314 D C 2.037 178.347 176.300 0.017 0.000 0.997 314 D CA 1.259 55.274 54.000 0.024 0.000 0.834 314 D CB -0.590 40.214 40.800 0.006 0.000 0.956 314 D HN 0.425 nan 8.370 nan 0.000 0.448 315 L N 0.392 121.622 121.223 0.013 0.000 1.989 315 L HA -0.199 4.142 4.340 0.001 0.000 0.211 315 L C 2.710 179.581 176.870 0.001 0.000 1.071 315 L CA 0.905 55.748 54.840 0.004 0.000 0.749 315 L CB -0.368 41.698 42.059 0.012 0.000 0.890 315 L HN 0.063 nan 8.230 nan 0.000 0.431 316 L N -0.426 120.816 121.223 0.032 0.000 2.042 316 L HA -0.287 4.053 4.340 0.001 0.000 0.210 316 L C 2.592 179.456 176.870 -0.009 0.000 1.076 316 L CA 1.465 56.331 54.840 0.043 0.000 0.749 316 L CB -0.530 41.609 42.059 0.133 0.000 0.893 316 L HN 0.287 nan 8.230 nan 0.000 0.432 317 K N 0.129 120.546 120.400 0.027 0.000 2.362 317 K HA -0.129 4.192 4.320 0.001 0.000 0.200 317 K C 1.973 178.548 176.600 -0.041 0.000 1.046 317 K CA 0.884 57.183 56.287 0.021 0.000 0.952 317 K CB 0.082 32.621 32.500 0.064 0.000 0.753 317 K HN 0.299 nan 8.250 nan 0.000 0.466 318 A N 0.698 123.481 122.820 -0.063 0.000 1.929 318 A HA -0.093 4.227 4.320 0.001 0.000 0.216 318 A C 1.678 179.165 177.584 -0.162 0.000 1.176 318 A CA 1.269 53.254 52.037 -0.086 0.000 0.628 318 A CB -0.151 18.810 19.000 -0.066 0.000 0.816 318 A HN 0.272 nan 8.150 nan 0.000 0.444 319 E N -0.674 119.372 120.200 -0.257 0.000 2.318 319 E HA 0.038 4.389 4.350 0.001 0.000 0.193 319 E C 0.045 176.191 176.600 -0.756 0.000 0.998 319 E CA 0.580 56.696 56.400 -0.473 0.000 0.859 319 E CB 0.157 29.529 29.700 -0.548 0.000 0.812 319 E HN 0.642 nan 8.360 nan 0.000 0.492 320 H N -0.422 118.390 119.070 -0.431 0.000 2.386 320 H HA 0.164 4.721 4.556 0.001 0.000 0.232 320 H C -1.926 173.205 175.328 -0.329 0.000 1.416 320 H CA -1.488 54.168 56.048 -0.653 0.000 1.285 320 H CB 0.781 29.548 29.762 -1.659 0.000 1.625 320 H HN 0.119 nan 8.280 nan 0.000 0.521 321 P HA -0.114 nan 4.420 nan 0.000 0.225 321 P C 1.509 178.856 177.300 0.078 0.000 1.148 321 P CA 1.077 64.180 63.100 0.006 0.000 0.779 321 P CB 0.028 31.719 31.700 -0.015 0.000 0.780 322 T N -6.945 107.666 114.554 0.096 0.000 3.081 322 T HA -0.013 4.337 4.350 0.001 0.000 0.255 322 T C 0.471 175.344 174.700 0.289 0.000 1.113 322 T CA -0.357 61.838 62.100 0.158 0.000 1.082 322 T CB -0.635 68.316 68.868 0.138 0.000 0.939 322 T HN -0.145 nan 8.240 nan 0.000 0.506 323 W N 2.816 124.153 121.300 0.062 0.000 2.210 323 W HA 0.634 5.294 4.660 0.001 0.000 0.330 323 W C 1.206 177.747 176.519 0.036 0.000 1.334 323 W CA -0.889 56.479 57.345 0.037 0.000 1.227 323 W CB -0.020 29.460 29.460 0.033 0.000 1.178 323 W HN 0.299 nan 8.180 nan 0.000 0.560 324 G N 1.728 110.625 108.800 0.162 0.000 2.611 324 G HA2 -0.060 3.901 3.960 0.001 0.000 0.273 324 G HA3 -0.060 3.901 3.960 0.001 0.000 0.273 324 G C 0.473 175.435 174.900 0.103 0.000 1.305 324 G CA 0.043 45.200 45.100 0.094 0.000 1.010 324 G HN 0.526 nan 8.290 nan 0.000 0.509 325 D N -1.414 119.039 120.400 0.089 0.000 2.178 325 D HA -0.120 4.520 4.640 0.001 0.000 0.202 325 D C 2.065 178.410 176.300 0.074 0.000 0.974 325 D CA 1.413 55.474 54.000 0.103 0.000 0.841 325 D CB 0.122 40.992 40.800 0.118 0.000 0.953 325 D HN 0.428 nan 8.370 nan 0.000 0.478 326 E N 0.250 120.465 120.200 0.026 0.000 2.046 326 E HA -0.167 4.184 4.350 0.001 0.000 0.190 326 E C 1.981 178.555 176.600 -0.044 0.000 0.982 326 E CA 0.998 57.405 56.400 0.011 0.000 0.800 326 E CB -0.295 29.402 29.700 -0.005 0.000 0.756 326 E HN 0.338 nan 8.360 nan 0.000 0.449 327 Q N -0.343 119.329 119.800 -0.212 0.000 2.364 327 Q HA -0.105 4.236 4.340 0.001 0.000 0.209 327 Q C 1.894 177.633 176.000 -0.434 0.000 0.977 327 Q CA 0.768 56.264 55.803 -0.512 0.000 0.885 327 Q CB 0.007 28.132 28.738 -1.020 0.000 0.941 327 Q HN 0.367 nan 8.270 nan 0.000 0.464 328 L N -0.779 120.412 121.223 -0.053 0.000 2.131 328 L HA -0.078 4.263 4.340 0.001 0.000 0.206 328 L C 2.069 179.008 176.870 0.114 0.000 1.087 328 L CA 0.603 55.544 54.840 0.169 0.000 0.767 328 L CB -0.293 41.927 42.059 0.267 0.000 0.917 328 L HN 0.311 nan 8.230 nan 0.000 0.441 329 F N 0.581 120.521 119.950 -0.016 0.000 2.098 329 F HA -0.209 4.319 4.527 0.001 0.000 0.294 329 F C 2.702 178.465 175.800 -0.060 0.000 1.107 329 F CA 1.401 59.407 58.000 0.010 0.000 1.234 329 F CB -0.181 38.785 39.000 -0.056 0.000 1.002 329 F HN -0.011 nan 8.300 nan 0.000 0.472 330 Q N 0.119 119.927 119.800 0.012 0.000 2.135 330 Q HA -0.159 4.181 4.340 0.001 0.000 0.204 330 Q C 2.189 178.052 176.000 -0.229 0.000 0.981 330 Q CA 2.188 57.909 55.803 -0.137 0.000 0.856 330 Q CB -1.157 27.565 28.738 -0.027 0.000 0.902 330 Q HN 0.450 nan 8.270 nan 0.000 0.425 331 T N 1.299 115.743 114.554 -0.184 0.000 2.777 331 T HA -0.048 4.302 4.350 0.001 0.000 0.266 331 T C 1.937 176.596 174.700 -0.068 0.000 1.040 331 T CA 1.264 63.300 62.100 -0.107 0.000 1.141 331 T CB -0.248 68.638 68.868 0.029 0.000 0.868 331 T HN 0.413 nan 8.240 nan 0.000 0.444 332 A N 1.770 124.494 122.820 -0.161 0.000 1.908 332 A HA -0.164 4.157 4.320 0.001 0.000 0.218 332 A C 2.295 179.754 177.584 -0.207 0.000 1.181 332 A CA 1.948 53.821 52.037 -0.272 0.000 0.627 332 A CB -0.612 17.961 19.000 -0.712 0.000 0.818 332 A HN 0.421 nan 8.150 nan 0.000 0.445 333 R N -0.440 119.874 120.500 -0.311 0.000 2.081 333 R HA -0.061 4.280 4.340 0.001 0.000 0.235 333 R C 2.009 178.338 176.300 0.048 0.000 1.131 333 R CA 1.461 57.451 56.100 -0.183 0.000 0.960 333 R CB -0.422 29.544 30.300 -0.556 0.000 0.856 333 R HN 0.533 nan 8.270 nan 0.000 0.436 334 L N 0.315 121.558 121.223 0.033 0.000 1.989 334 L HA -0.229 4.112 4.340 0.001 0.000 0.211 334 L C 2.467 179.597 176.870 0.434 0.000 1.071 334 L CA 1.510 56.462 54.840 0.187 0.000 0.749 334 L CB -0.479 41.560 42.059 -0.034 0.000 0.890 334 L HN 0.242 nan 8.230 nan 0.000 0.431 335 I N -0.650 120.168 120.570 0.413 0.000 2.194 335 I HA -0.325 3.846 4.170 0.001 0.000 0.246 335 I C 2.380 178.695 176.117 0.332 0.000 1.093 335 I CA 1.263 62.805 61.300 0.403 0.000 1.355 335 I CB -0.142 38.022 38.000 0.273 0.000 1.046 335 I HN 0.203 nan 8.210 nan 0.000 0.413 336 L N -0.036 121.364 121.223 0.295 0.000 2.156 336 L HA -0.123 4.218 4.340 0.001 0.000 0.208 336 L C 2.219 179.254 176.870 0.276 0.000 1.095 336 L CA 1.614 56.659 54.840 0.342 0.000 0.770 336 L CB -0.352 41.924 42.059 0.363 0.000 0.914 336 L HN 0.129 nan 8.230 nan 0.000 0.439 337 I N -1.119 119.610 120.570 0.265 0.000 2.252 337 I HA -0.212 3.959 4.170 0.001 0.000 0.245 337 I C 2.451 178.743 176.117 0.290 0.000 1.102 337 I CA 1.384 62.830 61.300 0.243 0.000 1.385 337 I CB -0.791 37.369 38.000 0.266 0.000 1.064 337 I HN 0.316 nan 8.210 nan 0.000 0.414 338 G N 0.140 109.180 108.800 0.400 0.000 2.421 338 G HA2 -0.219 3.742 3.960 0.001 0.000 0.216 338 G HA3 -0.219 3.742 3.960 0.001 0.000 0.216 338 G C 1.518 176.595 174.900 0.295 0.000 1.171 338 G CA 0.604 45.961 45.100 0.428 0.000 0.775 338 G HN 0.388 nan 8.290 nan 0.000 0.543 339 E N 0.008 120.396 120.200 0.314 0.000 2.031 339 E HA -0.120 4.230 4.350 0.001 0.000 0.193 339 E C 2.831 179.637 176.600 0.343 0.000 0.994 339 E CA 1.523 58.117 56.400 0.324 0.000 0.800 339 E CB -0.431 29.513 29.700 0.407 0.000 0.752 339 E HN 0.339 nan 8.360 nan 0.000 0.447 340 T N 2.071 116.870 114.554 0.408 0.000 2.624 340 T HA -0.213 4.137 4.350 0.001 0.000 0.268 340 T C 2.032 176.830 174.700 0.164 0.000 1.041 340 T CA 1.480 63.797 62.100 0.362 0.000 1.159 340 T CB -0.362 68.587 68.868 0.135 0.000 0.863 340 T HN 0.149 nan 8.240 nan 0.000 0.434 341 I N 0.920 121.494 120.570 0.007 0.000 2.286 341 I HA -0.162 4.008 4.170 0.001 0.000 0.248 341 I C 2.564 178.374 176.117 -0.513 0.000 1.115 341 I CA 1.239 62.376 61.300 -0.272 0.000 1.392 341 I CB -0.396 37.334 38.000 -0.452 0.000 1.065 341 I HN 0.191 nan 8.210 nan 0.000 0.418 342 K N 2.025 122.168 120.400 -0.429 0.000 2.026 342 K HA -0.144 4.177 4.320 0.001 0.000 0.208 342 K C 1.835 178.443 176.600 0.014 0.000 1.048 342 K CA 1.709 57.895 56.287 -0.169 0.000 0.929 342 K CB -0.308 32.290 32.500 0.165 0.000 0.713 342 K HN 0.247 nan 8.250 nan 0.000 0.439 343 I N -0.150 120.464 120.570 0.074 0.000 2.133 343 I HA -0.232 3.939 4.170 0.001 0.000 0.238 343 I C 2.161 178.329 176.117 0.085 0.000 1.074 343 I CA 0.892 62.258 61.300 0.110 0.000 1.342 343 I CB -0.419 37.685 38.000 0.173 0.000 1.053 343 I HN -0.058 nan 8.210 nan 0.000 0.404 344 V N 1.243 121.145 119.914 -0.020 0.000 2.317 344 V HA -0.332 3.789 4.120 0.001 0.000 0.251 344 V C 2.304 178.412 176.094 0.023 0.000 1.065 344 V CA 2.160 64.346 62.300 -0.190 0.000 1.049 344 V CB -0.399 31.103 31.823 -0.535 0.000 0.651 344 V HN 0.336 nan 8.190 nan 0.000 0.450 345 I N -0.866 119.717 120.570 0.021 0.000 2.233 345 I HA -0.154 4.016 4.170 0.001 0.000 0.243 345 I C 2.327 178.526 176.117 0.137 0.000 1.093 345 I CA 1.464 62.822 61.300 0.095 0.000 1.380 345 I CB -0.243 37.811 38.000 0.090 0.000 1.067 345 I HN 0.335 nan 8.210 nan 0.000 0.413 346 E N -0.065 120.217 120.200 0.137 0.000 2.478 346 E HA -0.060 4.291 4.350 0.001 0.000 0.194 346 E C 1.237 177.929 176.600 0.152 0.000 1.045 346 E CA 0.468 56.953 56.400 0.142 0.000 0.868 346 E CB 0.410 30.193 29.700 0.139 0.000 0.885 346 E HN 0.544 nan 8.360 nan 0.000 0.505 347 E N -0.995 119.330 120.200 0.207 0.000 2.717 347 E HA 0.000 4.351 4.350 0.001 0.000 0.204 347 E C 1.311 178.187 176.600 0.460 0.000 0.911 347 E CA -0.134 56.453 56.400 0.312 0.000 1.370 347 E CB 0.011 29.873 29.700 0.269 0.000 1.315 347 E HN 0.093 nan 8.360 nan 0.000 0.643 348 Y N 1.781 122.193 120.300 0.186 0.000 2.153 348 Y HA -0.175 4.376 4.550 0.001 0.000 0.289 348 Y C 2.070 178.016 175.900 0.077 0.000 1.127 348 Y CA 1.385 59.396 58.100 -0.148 0.000 1.131 348 Y CB 0.071 38.260 38.460 -0.450 0.000 0.995 348 Y HN -0.184 nan 8.280 nan 0.000 0.505 349 V N 0.546 120.663 119.914 0.337 0.000 2.515 349 V HA -0.257 3.864 4.120 0.001 0.000 0.250 349 V C 2.215 178.332 176.094 0.037 0.000 1.058 349 V CA 1.873 64.299 62.300 0.211 0.000 1.064 349 V CB -0.833 31.128 31.823 0.230 0.000 0.675 349 V HN 0.362 nan 8.190 nan 0.000 0.461 350 Q N 0.713 120.553 119.800 0.067 0.000 2.002 350 Q HA -0.285 4.055 4.340 0.001 0.000 0.204 350 Q C 2.281 178.250 176.000 -0.052 0.000 0.988 350 Q CA 2.484 58.288 55.803 0.003 0.000 0.843 350 Q CB -0.525 28.260 28.738 0.078 0.000 0.908 350 Q HN 0.637 nan 8.270 nan 0.000 0.420 351 Q N -0.543 119.270 119.800 0.022 0.000 2.077 351 Q HA -0.176 4.164 4.340 0.001 0.000 0.206 351 Q C 1.803 177.666 176.000 -0.228 0.000 0.989 351 Q CA 1.780 57.555 55.803 -0.046 0.000 0.853 351 Q CB -0.680 28.084 28.738 0.044 0.000 0.907 351 Q HN 0.453 nan 8.270 nan 0.000 0.418 352 L N 0.104 121.175 121.223 -0.254 0.000 2.017 352 L HA -0.128 4.213 4.340 0.001 0.000 0.208 352 L C 2.499 179.159 176.870 -0.349 0.000 1.073 352 L CA 2.301 56.929 54.840 -0.353 0.000 0.745 352 L CB -1.286 40.678 42.059 -0.157 0.000 0.894 352 L HN 0.512 nan 8.230 nan 0.000 0.432 353 S N -0.736 114.756 115.700 -0.347 0.000 2.383 353 S HA -0.034 4.436 4.470 0.001 0.000 0.227 353 S C 1.800 176.118 174.600 -0.470 0.000 1.026 353 S CA 0.945 58.793 58.200 -0.587 0.000 0.981 353 S CB -0.822 61.685 63.200 -1.155 0.000 0.818 353 S HN 0.687 nan 8.310 nan 0.000 0.472 354 G N 0.171 108.764 108.800 -0.346 0.000 2.180 354 G HA2 -0.307 3.654 3.960 0.001 0.000 0.263 354 G HA3 -0.307 3.654 3.960 0.001 0.000 0.263 354 G C 0.075 174.793 174.900 -0.303 0.000 0.989 354 G CA 0.552 45.484 45.100 -0.279 0.000 0.692 354 G HN 0.709 nan 8.290 nan 0.000 0.526 355 Y N -0.874 119.198 120.300 -0.380 0.000 2.497 355 Y HA 0.276 4.827 4.550 0.001 0.000 0.334 355 Y C 1.826 177.467 175.900 -0.432 0.000 1.199 355 Y CA -0.468 57.305 58.100 -0.545 0.000 1.425 355 Y CB 0.339 38.549 38.460 -0.417 0.000 1.291 355 Y HN 0.089 nan 8.280 nan 0.000 0.562 356 F N 1.249 120.890 119.950 -0.514 0.000 2.293 356 F HA -0.077 4.451 4.527 0.001 0.000 0.297 356 F C 1.064 176.598 175.800 -0.443 0.000 1.089 356 F CA -0.357 57.346 58.000 -0.495 0.000 1.377 356 F CB 0.190 38.830 39.000 -0.600 0.000 1.051 356 F HN 0.341 nan 8.300 nan 0.000 0.511 357 L N 2.242 123.105 121.223 -0.601 0.000 2.559 357 L HA -0.018 4.323 4.340 0.001 0.000 0.274 357 L C -0.048 176.795 176.870 -0.046 0.000 1.205 357 L CA 0.109 54.785 54.840 -0.273 0.000 0.907 357 L CB 0.272 42.066 42.059 -0.440 0.000 1.153 357 L HN 0.091 nan 8.230 nan 0.000 0.490 358 Q N 5.062 124.886 119.800 0.041 0.000 2.288 358 Q HA 0.388 4.729 4.340 0.001 0.000 0.258 358 Q C -0.532 175.513 176.000 0.075 0.000 0.957 358 Q CA -0.215 55.625 55.803 0.062 0.000 0.919 358 Q CB 1.054 29.832 28.738 0.067 0.000 1.185 358 Q HN 0.651 nan 8.270 nan 0.000 0.408 359 L N 2.126 123.402 121.223 0.089 0.000 2.475 359 L HA 0.382 4.722 4.340 0.001 0.000 0.253 359 L C 0.133 177.066 176.870 0.105 0.000 1.198 359 L CA -0.183 54.721 54.840 0.105 0.000 0.814 359 L CB 0.366 42.495 42.059 0.117 0.000 1.134 359 L HN 0.505 nan 8.230 nan 0.000 0.478 360 K N 0.983 121.451 120.400 0.112 0.000 2.565 360 K HA 0.292 4.613 4.320 0.001 0.000 0.251 360 K C -1.689 174.999 176.600 0.146 0.000 0.956 360 K CA -0.629 55.724 56.287 0.109 0.000 0.809 360 K CB 1.592 34.126 32.500 0.057 0.000 1.267 360 K HN 0.310 nan 8.250 nan 0.000 0.438 361 F N 4.125 124.080 119.950 0.008 0.000 2.404 361 F HA 0.377 4.905 4.527 0.001 0.000 0.358 361 F C -0.781 174.970 175.800 -0.081 0.000 1.120 361 F CA -0.315 57.669 58.000 -0.028 0.000 1.144 361 F CB 0.758 39.768 39.000 0.016 0.000 1.133 361 F HN 0.561 nan 8.300 nan 0.000 0.495 362 D N 7.821 127.813 120.400 -0.681 0.000 2.362 362 D HA 0.285 4.926 4.640 0.001 0.000 0.232 362 D C -2.436 173.375 176.300 -0.814 0.000 1.329 362 D CA -1.297 52.248 54.000 -0.758 0.000 0.944 362 D CB 1.420 42.010 40.800 -0.351 0.000 1.471 362 D HN 0.166 nan 8.370 nan 0.000 0.533 363 P HA -0.117 nan 4.420 nan 0.000 0.222 363 P C 0.775 177.435 177.300 -1.066 0.000 1.142 363 P CA 0.877 63.449 63.100 -0.880 0.000 0.788 363 P CB 0.285 31.410 31.700 -0.959 0.000 0.767 364 E N -0.573 118.941 120.200 -1.144 0.000 2.265 364 E HA -0.123 4.228 4.350 0.001 0.000 0.196 364 E C 1.800 177.899 176.600 -0.836 0.000 0.996 364 E CA 0.683 56.241 56.400 -1.402 0.000 0.832 364 E CB -0.555 28.813 29.700 -0.553 0.000 0.756 364 E HN 0.344 nan 8.360 nan 0.000 0.491 365 L N 0.467 121.377 121.223 -0.522 0.000 2.131 365 L HA -0.177 4.164 4.340 0.001 0.000 0.210 365 L C 2.226 178.956 176.870 -0.233 0.000 1.092 365 L CA 0.902 55.572 54.840 -0.283 0.000 0.759 365 L CB -0.228 41.708 42.059 -0.206 0.000 0.903 365 L HN 0.176 nan 8.230 nan 0.000 0.435 366 L N -1.526 119.515 121.223 -0.304 0.000 2.558 366 L HA 0.003 4.343 4.340 0.001 0.000 0.225 366 L C 1.957 178.930 176.870 0.172 0.000 1.128 366 L CA 0.202 54.960 54.840 -0.137 0.000 0.868 366 L CB -0.202 41.707 42.059 -0.250 0.000 1.006 366 L HN 0.232 nan 8.230 nan 0.000 0.454 367 F N -0.195 119.784 119.950 0.049 0.000 2.546 367 F HA -0.058 4.470 4.527 0.001 0.000 0.298 367 F C 2.395 178.242 175.800 0.078 0.000 1.120 367 F CA 0.136 58.196 58.000 0.100 0.000 1.456 367 F CB -0.384 38.670 39.000 0.090 0.000 1.088 367 F HN 0.167 nan 8.300 nan 0.000 0.572 368 G N 0.441 109.360 108.800 0.198 0.000 2.421 368 G HA2 0.070 4.030 3.960 0.001 0.000 0.216 368 G HA3 0.070 4.030 3.960 0.001 0.000 0.216 368 G C 0.552 175.524 174.900 0.120 0.000 1.171 368 G CA 0.839 46.015 45.100 0.126 0.000 0.775 368 G HN 0.388 nan 8.290 nan 0.000 0.543 369 A N -1.203 121.692 122.820 0.124 0.000 2.486 369 A HA 0.689 5.010 4.320 0.001 0.000 0.289 369 A C -0.715 176.955 177.584 0.143 0.000 1.176 369 A CA -0.702 51.403 52.037 0.112 0.000 0.757 369 A CB 0.707 19.759 19.000 0.086 0.000 1.337 369 A HN 0.234 nan 8.150 nan 0.000 0.423 370 Q N 0.075 119.944 119.800 0.114 0.000 2.257 370 Q HA 0.406 4.747 4.340 0.001 0.000 0.273 370 Q C -1.334 174.739 176.000 0.122 0.000 1.153 370 Q CA 1.003 56.863 55.803 0.095 0.000 0.922 370 Q CB -0.010 28.756 28.738 0.047 0.000 1.242 370 Q HN 0.439 nan 8.270 nan 0.000 0.409 371 F N 1.308 121.186 119.950 -0.120 0.000 2.591 371 F HA 0.276 4.804 4.527 0.001 0.000 0.309 371 F C -1.120 174.435 175.800 -0.409 0.000 1.098 371 F CA -0.909 56.930 58.000 -0.269 0.000 0.937 371 F CB 1.984 40.776 39.000 -0.346 0.000 1.250 371 F HN 0.266 nan 8.300 nan 0.000 0.447 372 Q N 5.198 124.332 119.800 -1.110 0.000 2.340 372 Q HA 0.200 4.541 4.340 0.001 0.000 0.259 372 Q C -1.289 174.260 176.000 -0.751 0.000 0.964 372 Q CA -0.276 55.108 55.803 -0.700 0.000 0.900 372 Q CB 1.163 29.606 28.738 -0.492 0.000 1.228 372 Q HN 0.701 nan 8.270 nan 0.000 0.449 373 Y N 2.104 122.370 120.300 -0.056 0.000 2.830 373 Y HA 0.226 4.777 4.550 0.001 0.000 0.371 373 Y C 0.786 176.676 175.900 -0.018 0.000 1.246 373 Y CA -0.397 57.739 58.100 0.060 0.000 1.890 373 Y CB 0.317 38.836 38.460 0.099 0.000 1.995 373 Y HN 0.304 nan 8.280 nan 0.000 0.430 374 R N 1.464 121.966 120.500 0.004 0.000 2.584 374 R HA 0.475 4.816 4.340 0.001 0.000 0.276 374 R C -2.100 174.169 176.300 -0.052 0.000 1.046 374 R CA -0.720 55.368 56.100 -0.021 0.000 0.906 374 R CB 1.299 31.575 30.300 -0.041 0.000 1.215 374 R HN 0.352 nan 8.270 nan 0.000 0.449 375 N N 1.589 120.268 118.700 -0.035 0.000 2.260 375 N HA 0.449 5.190 4.740 0.001 0.000 0.293 375 N C -1.887 173.583 175.510 -0.066 0.000 1.058 375 N CA -0.799 52.231 53.050 -0.033 0.000 0.824 375 N CB 1.883 40.373 38.487 0.005 0.000 1.551 375 N HN 0.562 nan 8.380 nan 0.000 0.475 376 R N 3.317 123.786 120.500 -0.051 0.000 2.513 376 R HA 0.500 4.841 4.340 0.001 0.000 0.301 376 R C -0.999 175.401 176.300 0.168 0.000 0.968 376 R CA -0.603 55.458 56.100 -0.065 0.000 0.872 376 R CB 0.610 30.816 30.300 -0.157 0.000 1.177 376 R HN 0.536 nan 8.270 nan 0.000 0.444 377 I N 3.732 124.555 120.570 0.422 0.000 2.471 377 I HA 0.248 4.419 4.170 0.001 0.000 0.286 377 I C 0.592 176.915 176.117 0.344 0.000 1.079 377 I CA -0.110 61.413 61.300 0.370 0.000 1.398 377 I CB 0.607 38.836 38.000 0.381 0.000 1.403 377 I HN 0.698 nan 8.210 nan 0.000 0.530 378 A N 7.226 130.123 122.820 0.128 0.000 2.316 378 A HA 0.448 4.769 4.320 0.001 0.000 0.284 378 A C 1.278 178.767 177.584 -0.158 0.000 1.115 378 A CA -0.650 51.389 52.037 0.004 0.000 0.812 378 A CB 0.732 19.655 19.000 -0.129 0.000 1.064 378 A HN 0.835 nan 8.150 nan 0.000 0.489 379 M N 0.168 119.662 119.600 -0.176 0.000 2.213 379 M HA -0.110 4.370 4.480 0.001 0.000 0.263 379 M C 1.042 177.165 176.300 -0.295 0.000 1.062 379 M CA 2.157 57.262 55.300 -0.326 0.000 1.105 379 M CB -0.809 31.696 32.600 -0.158 0.000 1.385 379 M HN 0.736 nan 8.290 nan 0.000 0.417 380 E N 0.929 120.946 120.200 -0.305 0.000 2.110 380 E HA -0.136 4.214 4.350 0.001 0.000 0.193 380 E C 1.708 178.181 176.600 -0.211 0.000 0.988 380 E CA 1.405 57.535 56.400 -0.450 0.000 0.804 380 E CB -0.382 29.074 29.700 -0.407 0.000 0.745 380 E HN 0.524 nan 8.360 nan 0.000 0.458 381 F N 1.637 121.244 119.950 -0.571 0.000 2.163 381 F HA -0.099 4.429 4.527 0.001 0.000 0.297 381 F C 1.920 177.722 175.800 0.003 0.000 1.094 381 F CA 1.016 58.808 58.000 -0.346 0.000 1.290 381 F CB -0.628 38.098 39.000 -0.456 0.000 1.017 381 F HN -0.003 nan 8.300 nan 0.000 0.483 382 N N 0.737 119.408 118.700 -0.049 0.000 2.005 382 N HA -0.237 4.504 4.740 0.001 0.000 0.199 382 N C 1.878 177.238 175.510 -0.249 0.000 1.054 382 N CA 2.080 54.778 53.050 -0.588 0.000 0.864 382 N CB -0.563 37.650 38.487 -0.458 0.000 1.063 382 N HN 0.377 nan 8.380 nan 0.000 0.428 383 Q N 0.645 120.386 119.800 -0.099 0.000 2.096 383 Q HA -0.197 4.144 4.340 0.001 0.000 0.208 383 Q C 2.228 178.416 176.000 0.313 0.000 0.993 383 Q CA 1.395 57.193 55.803 -0.009 0.000 0.862 383 Q CB -0.657 28.149 28.738 0.114 0.000 0.915 383 Q HN 0.595 nan 8.270 nan 0.000 0.416 384 L N -1.448 120.020 121.223 0.409 0.000 2.362 384 L HA -0.107 4.234 4.340 0.001 0.000 0.219 384 L C 1.592 178.638 176.870 0.294 0.000 1.134 384 L CA 1.174 56.247 54.840 0.389 0.000 0.807 384 L CB -0.225 42.048 42.059 0.357 0.000 0.927 384 L HN 0.124 nan 8.230 nan 0.000 0.447 385 Y N -0.479 119.804 120.300 -0.028 0.000 2.466 385 Y HA 0.062 4.613 4.550 0.001 0.000 0.272 385 Y C 0.368 176.069 175.900 -0.332 0.000 1.169 385 Y CA -0.505 57.300 58.100 -0.491 0.000 1.285 385 Y CB 0.154 38.162 38.460 -0.754 0.000 1.078 385 Y HN 0.267 nan 8.280 nan 0.000 0.523 386 H N -0.321 118.835 119.070 0.144 0.000 3.629 386 H HA -0.093 4.463 4.556 0.001 0.000 0.245 386 H C -0.405 175.330 175.328 0.678 0.000 1.599 386 H CA -0.014 56.249 56.048 0.359 0.000 1.557 386 H CB -0.761 29.133 29.762 0.220 0.000 1.823 386 H HN 0.297 nan 8.280 nan 0.000 0.614 387 W N 1.104 122.552 121.300 0.246 0.000 3.364 387 W HA 0.091 4.752 4.660 0.001 0.000 0.397 387 W C 0.693 177.283 176.519 0.118 0.000 1.107 387 W CA -0.702 56.767 57.345 0.206 0.000 1.892 387 W CB -0.894 28.708 29.460 0.236 0.000 1.027 387 W HN 0.708 nan 8.180 nan 0.000 0.761 388 H N 0.398 119.696 119.070 0.379 0.000 2.431 388 H HA -0.179 4.377 4.556 0.001 0.000 0.297 388 H C -0.517 174.936 175.328 0.207 0.000 1.115 388 H CA 1.970 58.171 56.048 0.256 0.000 1.277 388 H CB -1.695 28.189 29.762 0.204 0.000 1.372 388 H HN 0.040 nan 8.280 nan 0.000 0.516 389 P HA -0.174 nan 4.420 nan 0.000 0.217 389 P C 1.164 178.553 177.300 0.148 0.000 1.148 389 P CA 1.199 64.404 63.100 0.174 0.000 0.834 389 P CB -0.103 31.655 31.700 0.097 0.000 0.783 390 L N -2.954 118.350 121.223 0.135 0.000 2.189 390 L HA -0.146 4.195 4.340 0.001 0.000 0.214 390 L C 1.366 178.285 176.870 0.082 0.000 1.097 390 L CA 0.764 55.661 54.840 0.095 0.000 0.764 390 L CB -0.927 41.205 42.059 0.122 0.000 0.900 390 L HN 0.076 nan 8.230 nan 0.000 0.436 391 M N 1.603 121.265 119.600 0.102 0.000 2.227 391 M HA 0.180 4.661 4.480 0.001 0.000 0.349 391 M C -1.923 174.400 176.300 0.038 0.000 1.443 391 M CA -2.033 53.305 55.300 0.064 0.000 1.110 391 M CB 0.167 32.907 32.600 0.233 0.000 1.773 391 M HN -0.173 nan 8.290 nan 0.000 0.463 392 P HA 0.084 nan 4.420 nan 0.000 0.274 392 P C -0.017 177.086 177.300 -0.328 0.000 1.260 392 P CA -0.167 62.630 63.100 -0.504 0.000 0.793 392 P CB 0.846 32.050 31.700 -0.828 0.000 1.048 393 D N -1.290 118.860 120.400 -0.416 0.000 2.178 393 D HA -0.049 4.592 4.640 0.001 0.000 0.202 393 D C 1.026 177.291 176.300 -0.060 0.000 0.974 393 D CA 1.520 55.465 54.000 -0.091 0.000 0.841 393 D CB -0.001 40.719 40.800 -0.134 0.000 0.953 393 D HN 0.524 nan 8.370 nan 0.000 0.478 394 S N -1.664 113.783 115.700 -0.423 0.000 2.661 394 S HA 0.578 5.048 4.470 0.001 0.000 0.268 394 S C -1.544 172.613 174.600 -0.738 0.000 1.162 394 S CA -1.031 56.925 58.200 -0.407 0.000 0.817 394 S CB 0.734 63.874 63.200 -0.099 0.000 1.141 394 S HN -0.114 nan 8.310 nan 0.000 0.477 395 F N 0.992 120.760 119.950 -0.303 0.000 2.427 395 F HA 0.626 5.154 4.527 0.001 0.000 0.348 395 F C 0.487 176.217 175.800 -0.117 0.000 1.125 395 F CA -0.587 57.230 58.000 -0.305 0.000 0.989 395 F CB 1.743 40.303 39.000 -0.732 0.000 1.165 395 F HN 0.647 nan 8.300 nan 0.000 0.442 396 R N 2.508 123.030 120.500 0.037 0.000 2.255 396 R HA 0.670 5.010 4.340 0.001 0.000 0.326 396 R C -1.326 174.987 176.300 0.022 0.000 0.986 396 R CA -0.336 55.762 56.100 -0.003 0.000 0.847 396 R CB 1.085 31.355 30.300 -0.049 0.000 1.111 396 R HN 0.560 nan 8.270 nan 0.000 0.452 397 V N 5.873 125.771 119.914 -0.026 0.000 2.294 397 V HA 0.324 4.445 4.120 0.001 0.000 0.258 397 V C 1.071 177.076 176.094 -0.149 0.000 1.080 397 V CA 0.281 62.501 62.300 -0.134 0.000 1.128 397 V CB -0.063 31.629 31.823 -0.219 0.000 1.323 397 V HN 1.197 nan 8.190 nan 0.000 0.498 398 G N 4.268 113.010 108.800 -0.096 0.000 2.595 398 G HA2 -0.248 3.712 3.960 0.001 0.000 0.297 398 G HA3 -0.248 3.712 3.960 0.001 0.000 0.297 398 G C -0.642 174.227 174.900 -0.052 0.000 1.181 398 G CA 0.499 45.561 45.100 -0.064 0.000 0.963 398 G HN 0.519 nan 8.290 nan 0.000 0.541 399 P HA 0.166 nan 4.420 nan 0.000 0.227 399 P C 0.542 177.797 177.300 -0.075 0.000 1.161 399 P CA 0.887 63.965 63.100 -0.036 0.000 0.788 399 P CB 0.087 31.782 31.700 -0.007 0.000 0.822 400 Q N 0.617 120.348 119.800 -0.115 0.000 2.260 400 Q HA 0.262 4.602 4.340 0.001 0.000 0.238 400 Q C -0.580 175.225 176.000 -0.326 0.000 0.948 400 Q CA 0.215 55.849 55.803 -0.280 0.000 0.895 400 Q CB 0.779 29.245 28.738 -0.454 0.000 1.218 400 Q HN -0.046 nan 8.270 nan 0.000 0.470 401 D N 0.718 120.879 120.400 -0.399 0.000 2.656 401 D HA 0.170 4.811 4.640 0.001 0.000 0.303 401 D C -1.333 174.867 176.300 -0.168 0.000 1.199 401 D CA -0.340 53.523 54.000 -0.229 0.000 0.797 401 D CB -0.197 40.532 40.800 -0.118 0.000 1.170 401 D HN 0.223 nan 8.370 nan 0.000 0.509 402 Y N 1.003 121.358 120.300 0.092 0.000 2.650 402 Y HA 0.130 4.681 4.550 0.001 0.000 0.331 402 Y C 1.655 177.636 175.900 0.134 0.000 1.165 402 Y CA -0.426 57.752 58.100 0.130 0.000 1.473 402 Y CB 0.210 38.783 38.460 0.189 0.000 1.224 402 Y HN 0.141 nan 8.280 nan 0.000 0.533 403 S N 1.810 117.679 115.700 0.281 0.000 2.617 403 S HA 0.044 4.515 4.470 0.001 0.000 0.259 403 S C 0.878 175.605 174.600 0.212 0.000 1.301 403 S CA -0.582 57.757 58.200 0.232 0.000 0.984 403 S CB 0.281 63.611 63.200 0.217 0.000 0.954 403 S HN 0.643 nan 8.310 nan 0.000 0.572 404 Y N 1.802 122.129 120.300 0.045 0.000 2.114 404 Y HA -0.190 4.360 4.550 0.001 0.000 0.282 404 Y C 2.849 178.724 175.900 -0.041 0.000 1.165 404 Y CA 2.132 60.173 58.100 -0.099 0.000 1.148 404 Y CB -0.343 37.645 38.460 -0.786 0.000 0.972 404 Y HN 0.722 nan 8.280 nan 0.000 0.504 405 E N 0.157 120.448 120.200 0.152 0.000 2.072 405 E HA -0.232 4.119 4.350 0.001 0.000 0.191 405 E C 1.905 178.602 176.600 0.161 0.000 0.985 405 E CA 1.321 57.827 56.400 0.176 0.000 0.801 405 E CB -0.845 28.976 29.700 0.201 0.000 0.750 405 E HN 0.596 nan 8.360 nan 0.000 0.452 406 Q N -0.497 119.409 119.800 0.176 0.000 2.181 406 Q HA -0.112 4.229 4.340 0.001 0.000 0.205 406 Q C 1.854 177.913 176.000 0.099 0.000 0.980 406 Q CA 1.465 57.371 55.803 0.173 0.000 0.862 406 Q CB -0.190 28.723 28.738 0.292 0.000 0.905 406 Q HN 0.230 nan 8.270 nan 0.000 0.429 407 F N 0.355 120.233 119.950 -0.121 0.000 2.188 407 F HA 0.086 4.614 4.527 0.001 0.000 0.289 407 F C 0.375 175.979 175.800 -0.327 0.000 1.082 407 F CA -0.077 57.736 58.000 -0.311 0.000 1.282 407 F CB 0.058 38.700 39.000 -0.597 0.000 1.060 407 F HN -0.095 nan 8.300 nan 0.000 0.493 408 L N 1.577 122.631 121.223 -0.281 0.000 2.540 408 L HA -0.002 4.339 4.340 0.001 0.000 0.276 408 L C 0.019 176.581 176.870 -0.513 0.000 1.212 408 L CA 0.912 55.399 54.840 -0.589 0.000 0.893 408 L CB -0.818 40.830 42.059 -0.684 0.000 1.138 408 L HN 0.415 nan 8.230 nan 0.000 0.491 409 F N 0.154 120.005 119.950 -0.165 0.000 3.006 409 F HA -0.306 4.222 4.527 0.001 0.000 0.289 409 F C 1.041 176.768 175.800 -0.121 0.000 0.772 409 F CA 0.268 58.193 58.000 -0.125 0.000 1.162 409 F CB -1.650 37.327 39.000 -0.038 0.000 1.382 409 F HN 0.686 nan 8.300 nan 0.000 0.406 410 N N 1.833 120.457 118.700 -0.126 0.000 2.483 410 N HA 0.076 4.817 4.740 0.001 0.000 0.264 410 N C 1.106 176.571 175.510 -0.076 0.000 1.197 410 N CA 1.161 54.136 53.050 -0.123 0.000 0.927 410 N CB 1.138 39.469 38.487 -0.261 0.000 1.065 410 N HN 0.312 nan 8.380 nan 0.000 0.461 411 T N -1.016 113.531 114.554 -0.012 0.000 3.086 411 T HA 0.063 4.413 4.350 0.001 0.000 0.250 411 T C 1.230 175.899 174.700 -0.052 0.000 1.074 411 T CA 0.425 62.540 62.100 0.026 0.000 0.988 411 T CB -0.100 68.800 68.868 0.053 0.000 0.988 411 T HN 0.487 nan 8.240 nan 0.000 0.530 412 S N -0.675 114.965 115.700 -0.099 0.000 2.617 412 S HA 0.264 4.735 4.470 0.001 0.000 0.278 412 S C 1.605 176.108 174.600 -0.161 0.000 1.082 412 S CA -0.187 57.935 58.200 -0.129 0.000 1.228 412 S CB -0.418 62.715 63.200 -0.111 0.000 1.130 412 S HN 0.213 nan 8.310 nan 0.000 0.621 413 M N 1.185 120.684 119.600 -0.168 0.000 2.106 413 M HA -0.067 4.414 4.480 0.001 0.000 0.259 413 M C 2.006 178.260 176.300 -0.076 0.000 1.068 413 M CA 1.849 57.064 55.300 -0.142 0.000 1.100 413 M CB -0.287 32.205 32.600 -0.180 0.000 1.351 413 M HN 0.479 nan 8.290 nan 0.000 0.404 414 L N 0.028 121.175 121.223 -0.128 0.000 1.989 414 L HA -0.144 4.197 4.340 0.001 0.000 0.211 414 L C 2.113 178.882 176.870 -0.168 0.000 1.071 414 L CA 1.837 56.604 54.840 -0.121 0.000 0.749 414 L CB -1.059 40.908 42.059 -0.152 0.000 0.890 414 L HN 0.205 nan 8.230 nan 0.000 0.431 415 V N 0.091 119.833 119.914 -0.288 0.000 2.427 415 V HA -0.250 3.871 4.120 0.001 0.000 0.248 415 V C 2.355 178.340 176.094 -0.182 0.000 1.051 415 V CA 1.679 63.759 62.300 -0.367 0.000 1.048 415 V CB -0.972 30.619 31.823 -0.386 0.000 0.666 415 V HN 0.428 nan 8.190 nan 0.000 0.456 416 D N -0.348 119.939 120.400 -0.189 0.000 2.127 416 D HA -0.221 4.420 4.640 0.001 0.000 0.190 416 D C 2.043 178.192 176.300 -0.251 0.000 1.000 416 D CA 2.112 55.959 54.000 -0.255 0.000 0.839 416 D CB -0.307 40.264 40.800 -0.382 0.000 0.955 416 D HN 0.597 nan 8.370 nan 0.000 0.446 417 Y N 0.134 120.406 120.300 -0.046 0.000 2.397 417 Y HA 0.247 4.798 4.550 0.001 0.000 0.292 417 Y C 1.697 177.589 175.900 -0.013 0.000 1.115 417 Y CA 0.474 58.559 58.100 -0.026 0.000 1.208 417 Y CB 0.386 38.820 38.460 -0.043 0.000 1.046 417 Y HN 0.090 nan 8.280 nan 0.000 0.552 418 G N -0.114 108.775 108.800 0.149 0.000 2.796 418 G HA2 -0.233 3.728 3.960 0.001 0.000 0.571 418 G HA3 -0.233 3.728 3.960 0.001 0.000 0.571 418 G C 0.433 175.388 174.900 0.091 0.000 1.370 418 G CA -0.436 44.761 45.100 0.160 0.000 0.856 418 G HN -0.003 nan 8.290 nan 0.000 0.538 419 V N 0.463 120.416 119.914 0.065 0.000 2.244 419 V HA -0.106 4.014 4.120 0.001 0.000 0.244 419 V C 2.727 178.773 176.094 -0.080 0.000 1.042 419 V CA 3.100 65.381 62.300 -0.032 0.000 1.006 419 V CB -1.003 30.788 31.823 -0.054 0.000 0.641 419 V HN 0.837 nan 8.190 nan 0.000 0.446 420 E N 1.109 121.276 120.200 -0.054 0.000 2.086 420 E HA -0.282 4.069 4.350 0.001 0.000 0.205 420 E C 2.208 178.762 176.600 -0.075 0.000 1.027 420 E CA 1.986 58.350 56.400 -0.060 0.000 0.830 420 E CB -0.777 28.905 29.700 -0.031 0.000 0.751 420 E HN 0.581 nan 8.360 nan 0.000 0.456 421 A N 0.217 123.005 122.820 -0.053 0.000 1.933 421 A HA -0.103 4.218 4.320 0.001 0.000 0.218 421 A C 2.136 179.586 177.584 -0.224 0.000 1.175 421 A CA 1.169 53.156 52.037 -0.084 0.000 0.628 421 A CB -0.440 18.571 19.000 0.018 0.000 0.814 421 A HN 0.211 nan 8.150 nan 0.000 0.444 422 L N -0.691 120.372 121.223 -0.266 0.000 2.509 422 L HA -0.011 4.330 4.340 0.001 0.000 0.222 422 L C 2.081 178.595 176.870 -0.595 0.000 1.123 422 L CA 0.092 54.613 54.840 -0.532 0.000 0.856 422 L CB 0.054 41.824 42.059 -0.482 0.000 0.985 422 L HN 0.225 nan 8.230 nan 0.000 0.456 423 V N -0.621 119.116 119.914 -0.295 0.000 2.407 423 V HA -0.237 3.884 4.120 0.001 0.000 0.245 423 V C 2.240 178.293 176.094 -0.068 0.000 1.041 423 V CA 1.722 63.926 62.300 -0.159 0.000 1.040 423 V CB -0.341 31.406 31.823 -0.125 0.000 0.671 423 V HN 0.478 nan 8.190 nan 0.000 0.455 424 D N 0.742 121.098 120.400 -0.072 0.000 2.116 424 D HA -0.223 4.418 4.640 0.001 0.000 0.193 424 D C 2.112 178.422 176.300 0.016 0.000 0.998 424 D CA 1.908 55.913 54.000 0.008 0.000 0.836 424 D CB 0.232 41.022 40.800 -0.017 0.000 0.951 424 D HN 0.400 nan 8.370 nan 0.000 0.449 425 A N 0.008 122.765 122.820 -0.104 0.000 1.898 425 A HA -0.126 4.195 4.320 0.001 0.000 0.216 425 A C 2.017 179.698 177.584 0.161 0.000 1.181 425 A CA 0.903 52.903 52.037 -0.062 0.000 0.620 425 A CB -0.813 18.058 19.000 -0.216 0.000 0.819 425 A HN 0.231 nan 8.150 nan 0.000 0.442 426 F N 0.770 120.800 119.950 0.134 0.000 2.259 426 F HA -0.007 4.521 4.527 0.001 0.000 0.298 426 F C 2.586 178.530 175.800 0.239 0.000 1.088 426 F CA 0.844 58.988 58.000 0.239 0.000 1.358 426 F CB -0.932 38.274 39.000 0.343 0.000 1.040 426 F HN 0.138 nan 8.300 nan 0.000 0.505 427 S N -0.563 115.380 115.700 0.404 0.000 2.489 427 S HA -0.037 4.434 4.470 0.001 0.000 0.228 427 S C 1.950 176.765 174.600 0.360 0.000 0.995 427 S CA 0.469 58.897 58.200 0.380 0.000 0.934 427 S CB -0.089 63.307 63.200 0.327 0.000 0.771 427 S HN 0.337 nan 8.310 nan 0.000 0.522 428 R N 0.522 121.160 120.500 0.231 0.000 2.254 428 R HA 0.209 4.550 4.340 0.001 0.000 0.195 428 R C 0.797 177.146 176.300 0.082 0.000 0.957 428 R CA 0.120 56.269 56.100 0.082 0.000 1.024 428 R CB 0.204 30.508 30.300 0.007 0.000 0.952 428 R HN 0.367 nan 8.270 nan 0.000 0.484 429 Q N 1.757 121.639 119.800 0.136 0.000 2.274 429 Q HA 0.230 4.571 4.340 0.001 0.000 0.256 429 Q C -2.468 173.590 176.000 0.098 0.000 0.927 429 Q CA -2.319 53.537 55.803 0.088 0.000 0.939 429 Q CB 1.555 30.334 28.738 0.068 0.000 1.201 429 Q HN -0.123 nan 8.270 nan 0.000 0.426 430 P HA 0.040 nan 4.420 nan 0.000 0.271 430 P C -1.389 176.014 177.300 0.171 0.000 1.216 430 P CA 0.071 63.249 63.100 0.130 0.000 0.771 430 P CB 0.940 32.741 31.700 0.169 0.000 0.864 431 A N 3.473 126.363 122.820 0.117 0.000 2.286 431 A HA 0.621 4.942 4.320 0.001 0.000 0.286 431 A C 0.760 178.439 177.584 0.159 0.000 1.097 431 A CA -0.206 51.896 52.037 0.108 0.000 0.821 431 A CB -0.025 18.991 19.000 0.027 0.000 1.076 431 A HN 0.573 nan 8.150 nan 0.000 0.490 432 G N 0.377 109.315 108.800 0.230 0.000 2.380 432 G HA2 0.374 4.335 3.960 0.001 0.000 0.242 432 G HA3 0.374 4.335 3.960 0.001 0.000 0.242 432 G C 0.426 175.268 174.900 -0.098 0.000 1.298 432 G CA -0.362 44.799 45.100 0.101 0.000 0.878 432 G HN 0.938 nan 8.290 nan 0.000 0.542 433 R N 2.195 122.565 120.500 -0.217 0.000 2.640 433 R HA 0.076 4.417 4.340 0.001 0.000 0.270 433 R C 0.813 177.012 176.300 -0.169 0.000 1.024 433 R CA -0.310 55.654 56.100 -0.226 0.000 1.085 433 R CB 0.223 30.378 30.300 -0.242 0.000 0.963 433 R HN 0.535 nan 8.270 nan 0.000 0.426 434 I N 2.800 123.251 120.570 -0.199 0.000 2.206 434 I HA -0.014 4.157 4.170 0.001 0.000 0.239 434 I C 1.584 177.643 176.117 -0.096 0.000 1.078 434 I CA 1.285 62.502 61.300 -0.139 0.000 1.367 434 I CB -0.455 37.428 38.000 -0.195 0.000 1.078 434 I HN 0.791 nan 8.210 nan 0.000 0.413 435 G N -1.049 107.705 108.800 -0.077 0.000 2.563 435 G HA2 0.390 4.350 3.960 0.001 0.000 0.283 435 G HA3 0.390 4.350 3.960 0.001 0.000 0.283 435 G C 0.900 175.743 174.900 -0.096 0.000 1.309 435 G CA 0.162 45.218 45.100 -0.075 0.000 1.022 435 G HN 0.608 nan 8.290 nan 0.000 0.501 436 G N -2.206 106.535 108.800 -0.099 0.000 2.179 436 G HA2 0.284 4.245 3.960 0.001 0.000 0.260 436 G HA3 0.284 4.245 3.960 0.001 0.000 0.260 436 G C 1.376 176.229 174.900 -0.079 0.000 0.977 436 G CA 0.801 45.845 45.100 -0.094 0.000 0.641 436 G HN 2.800 nan 8.290 nan 0.000 0.533 437 G N -0.633 108.124 108.800 -0.071 0.000 2.760 437 G HA2 0.163 4.124 3.960 0.001 0.000 0.246 437 G HA3 0.163 4.124 3.960 0.001 0.000 0.246 437 G C 0.279 175.170 174.900 -0.015 0.000 1.359 437 G CA 0.340 45.421 45.100 -0.032 0.000 0.861 437 G HN 1.648 nan 8.290 nan 0.000 0.541 438 R N -0.878 119.631 120.500 0.014 0.000 3.034 438 R HA -0.225 4.116 4.340 0.001 0.000 0.237 438 R C 0.327 176.631 176.300 0.007 0.000 0.861 438 R CA 1.153 57.258 56.100 0.009 0.000 0.588 438 R CB -1.220 29.077 30.300 -0.005 0.000 1.035 438 R HN 0.853 nan 8.270 nan 0.000 0.488 439 N N 0.509 119.224 118.700 0.025 0.000 2.550 439 N HA 0.241 4.982 4.740 0.001 0.000 0.277 439 N C -1.284 174.281 175.510 0.091 0.000 1.595 439 N CA -0.215 52.861 53.050 0.043 0.000 0.888 439 N CB 0.728 39.203 38.487 -0.020 0.000 1.424 439 N HN 0.272 nan 8.380 nan 0.000 0.501 440 I N -0.338 120.291 120.570 0.098 0.000 2.465 440 I HA 0.293 4.464 4.170 0.001 0.000 0.291 440 I C -0.098 176.079 176.117 0.100 0.000 1.014 440 I CA -0.939 60.433 61.300 0.120 0.000 1.093 440 I CB 1.790 39.861 38.000 0.118 0.000 1.267 440 I HN 0.082 nan 8.210 nan 0.000 0.431 441 D N 4.755 125.212 120.400 0.095 0.000 2.389 441 D HA -0.016 4.624 4.640 0.001 0.000 0.247 441 D C 1.233 177.483 176.300 -0.084 0.000 1.128 441 D CA 0.023 54.038 54.000 0.026 0.000 0.884 441 D CB 1.002 41.791 40.800 -0.018 0.000 1.194 441 D HN 0.726 nan 8.370 nan 0.000 0.441 442 H N 2.198 121.182 119.070 -0.144 0.000 2.457 442 H HA -0.155 4.402 4.556 0.001 0.000 0.297 442 H C 1.255 176.461 175.328 -0.203 0.000 1.092 442 H CA 1.843 57.786 56.048 -0.175 0.000 1.309 442 H CB -0.442 29.195 29.762 -0.209 0.000 1.382 442 H HN 0.570 nan 8.280 nan 0.000 0.535 443 H N 0.621 119.228 119.070 -0.771 0.000 2.460 443 H HA -0.067 4.490 4.556 0.001 0.000 0.297 443 H C 1.679 176.914 175.328 -0.155 0.000 1.103 443 H CA 1.810 57.539 56.048 -0.532 0.000 1.292 443 H CB 0.022 29.241 29.762 -0.905 0.000 1.376 443 H HN 0.765 nan 8.280 nan 0.000 0.531 444 I N -3.213 117.313 120.570 -0.074 0.000 4.225 444 I HA 0.140 4.311 4.170 0.001 0.000 0.327 444 I C 0.981 176.949 176.117 -0.248 0.000 1.422 444 I CA -0.094 61.123 61.300 -0.137 0.000 1.150 444 I CB 0.272 38.281 38.000 0.014 0.000 1.192 444 I HN 0.007 nan 8.210 nan 0.000 0.440 445 L N 2.850 124.028 121.223 -0.076 0.000 2.187 445 L HA -0.219 4.122 4.340 0.001 0.000 0.213 445 L C 2.830 179.675 176.870 -0.042 0.000 1.100 445 L CA 2.195 57.018 54.840 -0.028 0.000 0.765 445 L CB -0.869 41.217 42.059 0.044 0.000 0.904 445 L HN 0.540 nan 8.230 nan 0.000 0.437 446 H N -2.869 116.201 119.070 0.000 0.000 2.489 446 H HA -0.054 4.503 4.556 0.001 0.000 0.293 446 H C 1.940 177.249 175.328 -0.032 0.000 1.066 446 H CA 1.464 57.511 56.048 -0.001 0.000 1.305 446 H CB -0.854 28.918 29.762 0.015 0.000 1.386 446 H HN 0.304 nan 8.280 nan 0.000 0.551 447 V N 1.987 121.616 119.914 -0.474 0.000 2.295 447 V HA -0.251 3.870 4.120 0.001 0.000 0.246 447 V C 3.241 179.192 176.094 -0.239 0.000 1.049 447 V CA 1.800 63.886 62.300 -0.357 0.000 1.024 447 V CB -1.168 30.275 31.823 -0.634 0.000 0.648 447 V HN 0.639 nan 8.190 nan 0.000 0.447 448 A N -0.005 122.697 122.820 -0.197 0.000 1.877 448 A HA -0.168 4.153 4.320 0.001 0.000 0.216 448 A C 2.414 179.961 177.584 -0.062 0.000 1.186 448 A CA 2.166 54.147 52.037 -0.093 0.000 0.620 448 A CB -0.828 18.223 19.000 0.086 0.000 0.822 448 A HN 0.319 nan 8.150 nan 0.000 0.443 449 V N 0.755 120.665 119.914 -0.007 0.000 2.231 449 V HA -0.362 3.759 4.120 0.001 0.000 0.250 449 V C 2.248 178.336 176.094 -0.009 0.000 1.058 449 V CA 2.676 64.991 62.300 0.026 0.000 1.022 449 V CB -1.124 30.736 31.823 0.061 0.000 0.640 449 V HN 0.569 nan 8.190 nan 0.000 0.445 450 D N -0.230 120.154 120.400 -0.027 0.000 2.104 450 D HA -0.150 4.491 4.640 0.001 0.000 0.194 450 D C 2.129 178.358 176.300 -0.118 0.000 0.994 450 D CA 1.403 55.380 54.000 -0.039 0.000 0.830 450 D CB -0.561 40.236 40.800 -0.006 0.000 0.959 450 D HN 0.233 nan 8.370 nan 0.000 0.452 451 V N 0.843 120.602 119.914 -0.259 0.000 2.250 451 V HA -0.317 3.804 4.120 0.001 0.000 0.253 451 V C 2.337 178.273 176.094 -0.264 0.000 1.065 451 V CA 1.601 63.623 62.300 -0.463 0.000 1.039 451 V CB -0.507 30.757 31.823 -0.932 0.000 0.647 451 V HN 0.243 nan 8.190 nan 0.000 0.446 452 I N -0.864 119.624 120.570 -0.136 0.000 2.113 452 I HA -0.257 3.914 4.170 0.001 0.000 0.238 452 I C 2.562 178.695 176.117 0.026 0.000 1.070 452 I CA 1.760 63.073 61.300 0.021 0.000 1.332 452 I CB -0.523 37.534 38.000 0.095 0.000 1.044 452 I HN 0.204 nan 8.210 nan 0.000 0.402 453 K N 0.177 120.584 120.400 0.012 0.000 2.152 453 K HA -0.266 4.055 4.320 0.001 0.000 0.206 453 K C 2.055 178.664 176.600 0.014 0.000 1.048 453 K CA 1.687 57.988 56.287 0.023 0.000 0.933 453 K CB -0.115 32.397 32.500 0.020 0.000 0.721 453 K HN 0.225 nan 8.250 nan 0.000 0.447 454 E N 0.681 120.869 120.200 -0.020 0.000 2.046 454 E HA -0.129 4.221 4.350 0.001 0.000 0.190 454 E C 1.922 178.515 176.600 -0.010 0.000 0.982 454 E CA 1.451 57.836 56.400 -0.024 0.000 0.800 454 E CB -0.279 29.378 29.700 -0.071 0.000 0.756 454 E HN 0.084 nan 8.360 nan 0.000 0.449 455 S N 0.014 115.703 115.700 -0.019 0.000 2.381 455 S HA -0.301 4.170 4.470 0.001 0.000 0.230 455 S C 2.018 176.655 174.600 0.062 0.000 1.052 455 S CA 1.857 60.073 58.200 0.027 0.000 1.068 455 S CB -0.307 62.943 63.200 0.084 0.000 0.918 455 S HN 0.334 nan 8.310 nan 0.000 0.448 456 R N -0.131 120.411 120.500 0.070 0.000 2.092 456 R HA 0.017 4.358 4.340 0.001 0.000 0.231 456 R C 2.352 178.691 176.300 0.065 0.000 1.119 456 R CA 1.375 57.523 56.100 0.080 0.000 0.970 456 R CB -0.660 29.689 30.300 0.081 0.000 0.864 456 R HN 0.367 nan 8.270 nan 0.000 0.440 457 V N 1.844 121.789 119.914 0.052 0.000 2.295 457 V HA -0.210 3.911 4.120 0.001 0.000 0.246 457 V C 2.148 178.274 176.094 0.053 0.000 1.049 457 V CA 1.609 63.939 62.300 0.051 0.000 1.024 457 V CB -0.353 31.498 31.823 0.047 0.000 0.648 457 V HN 0.291 nan 8.190 nan 0.000 0.447 458 L N -0.300 120.951 121.223 0.048 0.000 2.633 458 L HA 0.030 4.371 4.340 0.001 0.000 0.235 458 L C 1.232 178.135 176.870 0.055 0.000 1.163 458 L CA 0.405 55.272 54.840 0.045 0.000 0.859 458 L CB -0.630 41.444 42.059 0.025 0.000 0.973 458 L HN 0.363 nan 8.230 nan 0.000 0.451 459 R N -0.475 120.065 120.500 0.066 0.000 3.484 459 R HA -0.210 4.131 4.340 0.001 0.000 0.260 459 R C -0.074 176.285 176.300 0.099 0.000 1.053 459 R CA 0.092 56.240 56.100 0.080 0.000 0.703 459 R CB -1.960 28.380 30.300 0.066 0.000 1.089 459 R HN 0.145 nan 8.270 nan 0.000 0.459 460 L N 1.409 122.696 121.223 0.106 0.000 2.543 460 L HA -0.056 4.284 4.340 0.001 0.000 0.285 460 L C 1.377 178.380 176.870 0.223 0.000 1.236 460 L CA 1.261 56.190 54.840 0.148 0.000 0.871 460 L CB 0.366 42.474 42.059 0.083 0.000 1.121 460 L HN 0.168 nan 8.230 nan 0.000 0.501 461 Q N 4.218 124.186 119.800 0.279 0.000 2.471 461 Q HA 0.212 4.553 4.340 0.001 0.000 0.223 461 Q C -2.074 174.081 176.000 0.257 0.000 1.045 461 Q CA -1.569 54.305 55.803 0.119 0.000 0.956 461 Q CB 0.384 28.958 28.738 -0.272 0.000 1.249 461 Q HN 0.430 nan 8.270 nan 0.000 0.549 462 P HA -0.084 nan 4.420 nan 0.000 0.269 462 P C -0.215 177.310 177.300 0.376 0.000 1.209 462 P CA 0.186 63.401 63.100 0.193 0.000 0.776 462 P CB 0.328 32.055 31.700 0.046 0.000 0.876 463 F N 3.073 123.179 119.950 0.259 0.000 2.063 463 F HA -0.369 4.159 4.527 0.001 0.000 0.298 463 F C 1.840 177.747 175.800 0.179 0.000 1.105 463 F CA 2.093 60.242 58.000 0.249 0.000 1.215 463 F CB -0.570 38.454 39.000 0.040 0.000 0.972 463 F HN 0.293 nan 8.300 nan 0.000 0.483 464 N N 0.427 119.274 118.700 0.245 0.000 2.205 464 N HA -0.166 4.575 4.740 0.001 0.000 0.186 464 N C 1.680 177.147 175.510 -0.071 0.000 1.015 464 N CA 1.368 54.452 53.050 0.056 0.000 0.862 464 N CB -0.436 38.080 38.487 0.048 0.000 0.986 464 N HN 0.388 nan 8.380 nan 0.000 0.429 465 E N -0.625 119.500 120.200 -0.124 0.000 2.268 465 E HA -0.102 4.249 4.350 0.001 0.000 0.195 465 E C 1.305 177.750 176.600 -0.259 0.000 0.995 465 E CA 0.624 56.841 56.400 -0.304 0.000 0.836 465 E CB -0.164 29.191 29.700 -0.576 0.000 0.763 465 E HN 0.543 nan 8.360 nan 0.000 0.491 466 Y N 0.485 120.748 120.300 -0.062 0.000 2.347 466 Y HA 0.046 4.596 4.550 0.001 0.000 0.294 466 Y C 2.354 178.265 175.900 0.019 0.000 1.117 466 Y CA 0.364 58.501 58.100 0.062 0.000 1.184 466 Y CB 0.124 38.703 38.460 0.199 0.000 1.047 466 Y HN -0.088 nan 8.280 nan 0.000 0.546 467 R N 0.867 121.335 120.500 -0.052 0.000 2.115 467 R HA -0.233 4.108 4.340 0.001 0.000 0.239 467 R C 1.967 178.246 176.300 -0.035 0.000 1.133 467 R CA 1.825 57.855 56.100 -0.118 0.000 0.935 467 R CB -0.746 29.425 30.300 -0.215 0.000 0.853 467 R HN 0.354 nan 8.270 nan 0.000 0.433 468 K N 0.057 120.408 120.400 -0.083 0.000 2.074 468 K HA -0.188 4.132 4.320 0.001 0.000 0.209 468 K C 2.210 178.756 176.600 -0.090 0.000 1.048 468 K CA 1.413 57.636 56.287 -0.107 0.000 0.926 468 K CB -0.184 32.215 32.500 -0.167 0.000 0.713 468 K HN -0.063 nan 8.250 nan 0.000 0.444 469 R N 0.476 120.929 120.500 -0.079 0.000 2.148 469 R HA -0.022 4.319 4.340 0.001 0.000 0.223 469 R C 0.720 176.865 176.300 -0.258 0.000 1.088 469 R CA 1.179 57.184 56.100 -0.158 0.000 0.985 469 R CB -0.112 30.084 30.300 -0.174 0.000 0.880 469 R HN 0.054 nan 8.270 nan 0.000 0.451 470 F N -0.182 119.753 119.950 -0.025 0.000 2.819 470 F HA 0.332 4.860 4.527 0.001 0.000 0.294 470 F C 1.213 176.991 175.800 -0.036 0.000 1.166 470 F CA 0.244 58.225 58.000 -0.031 0.000 1.374 470 F CB 0.734 39.720 39.000 -0.024 0.000 0.956 470 F HN 0.247 nan 8.300 nan 0.000 0.509 471 G N 0.808 109.638 108.800 0.049 0.000 2.179 471 G HA2 -0.333 3.627 3.960 0.001 0.000 0.257 471 G HA3 -0.333 3.627 3.960 0.001 0.000 0.257 471 G C 0.063 174.976 174.900 0.023 0.000 1.010 471 G CA 0.104 45.225 45.100 0.036 0.000 0.736 471 G HN 0.343 nan 8.290 nan 0.000 0.513 472 M N -0.681 118.915 119.600 -0.007 0.000 2.654 472 M HA 0.545 5.025 4.480 0.001 0.000 0.310 472 M C 0.667 176.905 176.300 -0.103 0.000 1.211 472 M CA -0.734 54.528 55.300 -0.063 0.000 0.947 472 M CB 1.336 33.871 32.600 -0.108 0.000 1.647 472 M HN 0.065 nan 8.290 nan 0.000 0.481 473 K N 1.256 121.571 120.400 -0.140 0.000 2.237 473 K HA 0.345 4.665 4.320 0.001 0.000 0.270 473 K C -2.467 173.990 176.600 -0.237 0.000 1.015 473 K CA -1.540 54.653 56.287 -0.156 0.000 0.949 473 K CB -0.156 32.261 32.500 -0.139 0.000 0.976 473 K HN 0.227 nan 8.250 nan 0.000 0.472 474 P HA -0.001 nan 4.420 nan 0.000 0.271 474 P C -1.025 176.161 177.300 -0.189 0.000 1.218 474 P CA -0.055 62.948 63.100 -0.161 0.000 0.780 474 P CB 0.257 31.907 31.700 -0.083 0.000 0.901 475 Y N 0.043 120.331 120.300 -0.020 0.000 2.425 475 Y HA 0.040 4.590 4.550 0.001 0.000 0.331 475 Y C 2.163 178.010 175.900 -0.087 0.000 1.157 475 Y CA 0.437 58.504 58.100 -0.054 0.000 1.372 475 Y CB 0.216 38.627 38.460 -0.082 0.000 1.253 475 Y HN 0.404 nan 8.280 nan 0.000 0.536 476 T N -2.328 112.287 114.554 0.101 0.000 3.067 476 T HA 0.086 4.437 4.350 0.001 0.000 0.257 476 T C 0.430 175.127 174.700 -0.004 0.000 1.105 476 T CA 0.505 62.624 62.100 0.031 0.000 1.104 476 T CB -0.106 68.781 68.868 0.032 0.000 0.925 476 T HN 0.515 nan 8.240 nan 0.000 0.498 477 S N -1.155 114.530 115.700 -0.024 0.000 2.671 477 S HA 0.618 5.089 4.470 0.001 0.000 0.277 477 S C -0.147 174.325 174.600 -0.213 0.000 1.165 477 S CA -0.985 57.173 58.200 -0.070 0.000 0.822 477 S CB 0.461 63.667 63.200 0.010 0.000 1.150 477 S HN -0.039 nan 8.310 nan 0.000 0.479 478 F N 1.145 121.047 119.950 -0.079 0.000 2.456 478 F HA 0.090 4.618 4.527 0.001 0.000 0.298 478 F C 2.760 178.455 175.800 -0.175 0.000 1.104 478 F CA 0.846 58.756 58.000 -0.151 0.000 1.435 478 F CB -0.033 38.894 39.000 -0.122 0.000 1.078 478 F HN 0.594 nan 8.300 nan 0.000 0.546 479 Q N -0.039 119.782 119.800 0.035 0.000 2.049 479 Q HA -0.214 4.127 4.340 0.001 0.000 0.198 479 Q C 2.089 178.041 176.000 -0.081 0.000 0.971 479 Q CA 1.314 57.109 55.803 -0.014 0.000 0.833 479 Q CB -0.341 28.402 28.738 0.009 0.000 0.896 479 Q HN 0.472 nan 8.270 nan 0.000 0.434 480 E N 0.640 120.788 120.200 -0.087 0.000 2.160 480 E HA -0.202 4.148 4.350 0.001 0.000 0.195 480 E C 2.002 178.356 176.600 -0.410 0.000 0.991 480 E CA 0.566 56.914 56.400 -0.087 0.000 0.810 480 E CB 0.067 29.825 29.700 0.098 0.000 0.742 480 E HN 0.151 nan 8.360 nan 0.000 0.466 481 L N 0.302 121.136 121.223 -0.648 0.000 2.007 481 L HA -0.135 4.206 4.340 0.001 0.000 0.205 481 L C 2.566 179.146 176.870 -0.484 0.000 1.073 481 L CA 2.336 56.603 54.840 -0.955 0.000 0.744 481 L CB -0.537 41.070 42.059 -0.753 0.000 0.898 481 L HN 0.164 nan 8.230 nan 0.000 0.435 482 T N -3.478 110.906 114.554 -0.282 0.000 3.067 482 T HA 0.204 4.555 4.350 0.001 0.000 0.257 482 T C 1.373 175.996 174.700 -0.127 0.000 1.105 482 T CA 0.300 62.290 62.100 -0.184 0.000 1.104 482 T CB -0.572 68.215 68.868 -0.136 0.000 0.925 482 T HN 0.660 nan 8.240 nan 0.000 0.498 483 G N 1.608 110.341 108.800 -0.112 0.000 2.338 483 G HA2 -0.158 3.803 3.960 0.001 0.000 0.296 483 G HA3 -0.158 3.803 3.960 0.001 0.000 0.296 483 G C -0.267 174.602 174.900 -0.051 0.000 1.040 483 G CA 0.581 45.641 45.100 -0.067 0.000 1.004 483 G HN 0.964 nan 8.290 nan 0.000 0.509 484 E N -2.273 117.898 120.200 -0.048 0.000 2.398 484 E HA 0.554 4.904 4.350 0.001 0.000 0.280 484 E C 0.522 177.105 176.600 -0.028 0.000 1.122 484 E CA 0.270 56.649 56.400 -0.036 0.000 0.873 484 E CB -0.151 29.524 29.700 -0.042 0.000 1.294 484 E HN 0.694 nan 8.360 nan 0.000 0.435 485 K N 0.648 121.036 120.400 -0.019 0.000 2.329 485 K HA 0.267 4.588 4.320 0.001 0.000 0.198 485 K C 1.950 178.543 176.600 -0.011 0.000 1.085 485 K CA 1.582 57.863 56.287 -0.011 0.000 0.961 485 K CB -0.755 31.741 32.500 -0.006 0.000 0.971 485 K HN 0.576 nan 8.250 nan 0.000 0.502 486 E N 1.175 121.370 120.200 -0.008 0.000 2.015 486 E HA -0.061 4.290 4.350 0.001 0.000 0.191 486 E C 2.169 178.779 176.600 0.017 0.000 0.991 486 E CA 1.686 58.087 56.400 0.003 0.000 0.802 486 E CB -0.619 29.084 29.700 0.005 0.000 0.759 486 E HN 0.551 nan 8.360 nan 0.000 0.447 487 M N 0.001 119.616 119.600 0.024 0.000 2.080 487 M HA -0.102 4.379 4.480 0.001 0.000 0.260 487 M C 2.840 179.069 176.300 -0.119 0.000 1.068 487 M CA 1.601 56.917 55.300 0.028 0.000 1.109 487 M CB -0.504 32.071 32.600 -0.042 0.000 1.342 487 M HN 0.507 nan 8.290 nan 0.000 0.405 488 A N 0.680 123.443 122.820 -0.096 0.000 1.837 488 A HA -0.173 4.148 4.320 0.001 0.000 0.216 488 A C 2.341 179.838 177.584 -0.146 0.000 1.210 488 A CA 2.502 54.489 52.037 -0.082 0.000 0.632 488 A CB -1.329 17.674 19.000 0.004 0.000 0.843 488 A HN 0.527 nan 8.150 nan 0.000 0.448 489 A N -1.080 121.700 122.820 -0.065 0.000 2.076 489 A HA -0.172 4.149 4.320 0.001 0.000 0.220 489 A C 1.990 179.521 177.584 -0.089 0.000 1.160 489 A CA 1.888 53.890 52.037 -0.058 0.000 0.653 489 A CB -0.540 18.450 19.000 -0.016 0.000 0.801 489 A HN 0.732 nan 8.150 nan 0.000 0.455 490 E N -0.329 119.828 120.200 -0.071 0.000 2.072 490 E HA -0.103 4.248 4.350 0.001 0.000 0.190 490 E C 1.845 178.388 176.600 -0.095 0.000 0.982 490 E CA 0.861 57.253 56.400 -0.014 0.000 0.803 490 E CB -0.133 29.637 29.700 0.117 0.000 0.755 490 E HN 0.651 nan 8.360 nan 0.000 0.453 491 L N 0.923 121.952 121.223 -0.323 0.000 2.109 491 L HA -0.114 4.227 4.340 0.001 0.000 0.207 491 L C 2.652 179.010 176.870 -0.854 0.000 1.086 491 L CA 0.754 55.225 54.840 -0.615 0.000 0.760 491 L CB -0.316 41.163 42.059 -0.967 0.000 0.910 491 L HN 0.153 nan 8.230 nan 0.000 0.437 492 E N 0.440 120.113 120.200 -0.879 0.000 2.130 492 E HA -0.297 4.054 4.350 0.001 0.000 0.196 492 E C 1.898 178.413 176.600 -0.141 0.000 0.998 492 E CA 1.613 57.729 56.400 -0.473 0.000 0.806 492 E CB 0.182 29.825 29.700 -0.094 0.000 0.738 492 E HN 0.538 nan 8.360 nan 0.000 0.459 493 E N -0.555 119.571 120.200 -0.123 0.000 2.251 493 E HA 0.035 4.385 4.350 0.001 0.000 0.194 493 E C 2.365 178.950 176.600 -0.025 0.000 0.964 493 E CA -0.161 56.220 56.400 -0.033 0.000 0.868 493 E CB 0.223 29.913 29.700 -0.016 0.000 0.828 493 E HN 0.173 nan 8.360 nan 0.000 0.481 494 L N -0.088 121.095 121.223 -0.065 0.000 2.017 494 L HA -0.196 4.145 4.340 0.001 0.000 0.208 494 L C 1.794 178.603 176.870 -0.102 0.000 1.073 494 L CA 1.431 56.215 54.840 -0.093 0.000 0.745 494 L CB -0.199 41.778 42.059 -0.135 0.000 0.894 494 L HN 0.275 nan 8.230 nan 0.000 0.432 495 Y N -1.346 118.924 120.300 -0.050 0.000 2.510 495 Y HA 0.072 4.623 4.550 0.001 0.000 0.273 495 Y C 1.947 177.914 175.900 0.112 0.000 1.119 495 Y CA 0.396 58.530 58.100 0.057 0.000 1.286 495 Y CB 0.658 39.209 38.460 0.151 0.000 1.061 495 Y HN 0.323 nan 8.280 nan 0.000 0.542 496 G N 0.468 109.402 108.800 0.224 0.000 3.548 496 G HA2 -0.395 3.565 3.960 0.001 0.000 0.224 496 G HA3 -0.395 3.565 3.960 0.001 0.000 0.224 496 G C -0.038 175.002 174.900 0.234 0.000 1.351 496 G CA 0.893 46.104 45.100 0.185 0.000 0.905 496 G HN 0.403 nan 8.290 nan 0.000 0.561 497 D N -1.432 119.142 120.400 0.290 0.000 2.547 497 D HA 0.638 5.278 4.640 0.001 0.000 0.231 497 D C 0.928 177.359 176.300 0.219 0.000 1.099 497 D CA -0.248 53.892 54.000 0.234 0.000 0.901 497 D CB 1.520 42.398 40.800 0.131 0.000 1.478 497 D HN 0.235 nan 8.370 nan 0.000 0.471 498 I N 0.913 121.439 120.570 -0.073 0.000 2.676 498 I HA 0.001 4.172 4.170 0.001 0.000 0.259 498 I C 0.764 176.707 176.117 -0.289 0.000 1.194 498 I CA 1.208 62.151 61.300 -0.594 0.000 1.473 498 I CB 0.083 37.648 38.000 -0.725 0.000 1.096 498 I HN 0.355 nan 8.210 nan 0.000 0.443 499 D N 0.667 121.009 120.400 -0.096 0.000 2.349 499 D HA 0.143 4.784 4.640 0.001 0.000 0.224 499 D C 1.713 178.020 176.300 0.012 0.000 1.029 499 D CA 0.833 54.819 54.000 -0.025 0.000 0.879 499 D CB 0.458 41.270 40.800 0.019 0.000 0.906 499 D HN 0.505 nan 8.370 nan 0.000 0.528 500 A N 0.221 123.041 122.820 -0.001 0.000 2.288 500 A HA 0.109 4.429 4.320 0.001 0.000 0.216 500 A C 0.930 178.425 177.584 -0.149 0.000 1.199 500 A CA -0.313 51.753 52.037 0.048 0.000 0.891 500 A CB 0.191 19.298 19.000 0.179 0.000 0.923 500 A HN 0.177 nan 8.150 nan 0.000 0.500 501 L N 1.653 122.633 121.223 -0.405 0.000 2.559 501 L HA 0.103 4.444 4.340 0.001 0.000 0.282 501 L C 0.162 176.872 176.870 -0.266 0.000 1.232 501 L CA 0.381 54.770 54.840 -0.751 0.000 0.885 501 L CB -0.067 41.644 42.059 -0.580 0.000 1.131 501 L HN 0.409 nan 8.230 nan 0.000 0.498 502 E N 3.519 123.616 120.200 -0.172 0.000 2.345 502 E HA 0.051 4.402 4.350 0.001 0.000 0.259 502 E C 0.415 177.175 176.600 0.267 0.000 1.117 502 E CA -0.276 56.225 56.400 0.168 0.000 0.913 502 E CB 0.589 30.455 29.700 0.277 0.000 1.057 502 E HN 0.655 nan 8.360 nan 0.000 0.432 503 F N 1.259 121.363 119.950 0.255 0.000 2.008 503 F HA -0.344 4.183 4.527 0.001 0.000 0.297 503 F C 2.102 178.068 175.800 0.276 0.000 1.156 503 F CA 1.938 60.116 58.000 0.298 0.000 1.191 503 F CB -0.384 38.663 39.000 0.079 0.000 0.955 503 F HN 0.628 nan 8.300 nan 0.000 0.497 504 Y N 0.972 121.364 120.300 0.153 0.000 2.184 504 Y HA 0.016 4.566 4.550 0.001 0.000 0.290 504 Y C -0.809 175.054 175.900 -0.062 0.000 1.129 504 Y CA 1.376 59.468 58.100 -0.013 0.000 1.144 504 Y CB -1.784 36.731 38.460 0.091 0.000 0.995 504 Y HN 0.051 nan 8.280 nan 0.000 0.513 505 P HA -0.154 nan 4.420 nan 0.000 0.216 505 P C 1.697 178.800 177.300 -0.329 0.000 1.153 505 P CA 2.474 65.512 63.100 -0.104 0.000 0.858 505 P CB -0.466 31.287 31.700 0.088 0.000 0.789 506 G N -0.138 108.398 108.800 -0.440 0.000 2.446 506 G HA2 -0.253 3.707 3.960 0.001 0.000 0.217 506 G HA3 -0.253 3.707 3.960 0.001 0.000 0.217 506 G C 1.489 175.924 174.900 -0.775 0.000 1.168 506 G CA 0.656 45.152 45.100 -1.006 0.000 0.771 506 G HN 0.229 nan 8.290 nan 0.000 0.551 507 L N -0.181 120.826 121.223 -0.360 0.000 2.127 507 L HA 0.001 4.342 4.340 0.001 0.000 0.211 507 L C 2.518 179.203 176.870 -0.308 0.000 1.089 507 L CA 0.644 55.352 54.840 -0.221 0.000 0.757 507 L CB -0.198 41.630 42.059 -0.386 0.000 0.899 507 L HN 0.191 nan 8.230 nan 0.000 0.434 508 L N -1.146 119.836 121.223 -0.402 0.000 2.607 508 L HA 0.046 4.387 4.340 0.001 0.000 0.228 508 L C 1.589 178.320 176.870 -0.232 0.000 1.123 508 L CA 0.188 54.835 54.840 -0.322 0.000 0.890 508 L CB 0.256 42.079 42.059 -0.394 0.000 1.103 508 L HN 0.287 nan 8.230 nan 0.000 0.468 509 L N -1.519 119.544 121.223 -0.267 0.000 2.840 509 L HA 0.184 4.524 4.340 0.001 0.000 0.249 509 L C 1.057 177.785 176.870 -0.237 0.000 1.119 509 L CA -0.055 54.641 54.840 -0.240 0.000 0.930 509 L CB 0.560 42.441 42.059 -0.295 0.000 1.295 509 L HN 0.106 nan 8.230 nan 0.000 0.534 510 E N 2.845 122.890 120.200 -0.259 0.000 2.467 510 E HA -0.053 4.298 4.350 0.001 0.000 0.264 510 E C -0.106 176.410 176.600 -0.140 0.000 1.020 510 E CA -0.042 56.230 56.400 -0.212 0.000 0.945 510 E CB 0.650 30.283 29.700 -0.112 0.000 0.942 510 E HN 0.135 nan 8.360 nan 0.000 0.449 511 K N 1.698 122.023 120.400 -0.125 0.000 2.319 511 K HA 0.187 4.507 4.320 0.001 0.000 0.265 511 K C -1.051 175.518 176.600 -0.053 0.000 1.000 511 K CA -0.519 55.718 56.287 -0.084 0.000 0.943 511 K CB 0.642 33.099 32.500 -0.072 0.000 0.950 511 K HN 0.274 nan 8.250 nan 0.000 0.485 512 C N 1.617 120.885 119.300 -0.054 0.000 2.396 512 C HA 0.450 4.911 4.460 0.001 0.000 0.321 512 C C 0.424 175.391 174.990 -0.039 0.000 1.233 512 C CA -0.531 58.459 59.018 -0.048 0.000 1.440 512 C CB -0.111 27.586 27.740 -0.072 0.000 2.110 512 C HN 0.994 nan 8.230 nan 0.000 0.473 513 H N 3.002 122.061 119.070 -0.018 0.000 3.152 513 H HA 0.229 4.786 4.556 0.001 0.000 0.319 513 H C -1.961 173.357 175.328 -0.018 0.000 0.994 513 H CA -0.207 55.846 56.048 0.007 0.000 1.370 513 H CB -0.801 28.995 29.762 0.057 0.000 1.322 513 H HN 0.722 nan 8.280 nan 0.000 0.590 514 P HA -0.076 nan 4.420 nan 0.000 0.273 514 P C 0.222 177.495 177.300 -0.046 0.000 1.252 514 P CA 0.329 63.407 63.100 -0.037 0.000 0.809 514 P CB 0.457 32.145 31.700 -0.021 0.000 1.017 515 N N -3.854 114.802 118.700 -0.073 0.000 2.857 515 N HA -0.144 4.597 4.740 0.001 0.000 0.242 515 N C -0.222 175.209 175.510 -0.132 0.000 0.983 515 N CA 1.295 54.289 53.050 -0.093 0.000 0.934 515 N CB -1.840 36.606 38.487 -0.068 0.000 1.115 515 N HN 0.322 nan 8.380 nan 0.000 0.593 516 S N -0.474 115.143 115.700 -0.139 0.000 2.578 516 S HA 0.563 5.033 4.470 0.001 0.000 0.301 516 S C 1.360 175.785 174.600 -0.292 0.000 1.091 516 S CA -0.654 57.427 58.200 -0.198 0.000 1.032 516 S CB 2.325 65.446 63.200 -0.132 0.000 1.064 516 S HN 0.242 nan 8.310 nan 0.000 0.508 517 I N 1.554 121.836 120.570 -0.480 0.000 2.480 517 I HA 0.199 4.370 4.170 0.001 0.000 0.251 517 I C -0.339 175.443 176.117 -0.558 0.000 1.124 517 I CA 0.864 61.788 61.300 -0.626 0.000 1.444 517 I CB 0.106 37.560 38.000 -0.911 0.000 1.098 517 I HN 0.700 nan 8.210 nan 0.000 0.428 518 F N -1.323 118.464 119.950 -0.272 0.000 3.016 518 F HA 0.714 5.242 4.527 0.001 0.000 0.324 518 F C 0.123 175.809 175.800 -0.190 0.000 1.196 518 F CA -1.112 56.738 58.000 -0.250 0.000 0.929 518 F CB 0.081 38.892 39.000 -0.316 0.000 1.440 518 F HN -0.269 nan 8.300 nan 0.000 0.505 519 G N -0.246 108.657 108.800 0.173 0.000 2.451 519 G HA2 0.339 4.300 3.960 0.001 0.000 0.303 519 G HA3 0.339 4.300 3.960 0.001 0.000 0.303 519 G C 0.354 175.277 174.900 0.039 0.000 1.166 519 G CA -0.049 45.082 45.100 0.052 0.000 0.884 519 G HN 1.036 nan 8.290 nan 0.000 0.514 520 E N 0.563 120.769 120.200 0.009 0.000 2.136 520 E HA -0.243 4.108 4.350 0.001 0.000 0.202 520 E C 2.007 178.594 176.600 -0.022 0.000 1.019 520 E CA 1.945 58.334 56.400 -0.019 0.000 0.819 520 E CB -0.213 29.485 29.700 -0.003 0.000 0.739 520 E HN 0.361 nan 8.360 nan 0.000 0.458 521 S N 0.143 115.838 115.700 -0.008 0.000 2.402 521 S HA -0.133 4.338 4.470 0.001 0.000 0.229 521 S C 1.717 176.209 174.600 -0.179 0.000 1.021 521 S CA 1.274 59.421 58.200 -0.088 0.000 0.974 521 S CB -0.244 62.930 63.200 -0.043 0.000 0.800 521 S HN 0.289 nan 8.310 nan 0.000 0.484 522 M N 1.912 121.386 119.600 -0.211 0.000 2.086 522 M HA -0.036 4.445 4.480 0.001 0.000 0.261 522 M C 1.533 177.665 176.300 -0.280 0.000 1.067 522 M CA 1.414 56.477 55.300 -0.396 0.000 1.116 522 M CB -0.421 31.641 32.600 -0.897 0.000 1.348 522 M HN 0.159 nan 8.290 nan 0.000 0.407 523 I N -0.115 120.394 120.570 -0.102 0.000 2.113 523 I HA -0.234 3.937 4.170 0.001 0.000 0.238 523 I C 2.122 178.248 176.117 0.015 0.000 1.070 523 I CA 1.490 62.822 61.300 0.054 0.000 1.332 523 I CB -2.126 35.932 38.000 0.096 0.000 1.044 523 I HN 0.284 nan 8.210 nan 0.000 0.402 524 E N 0.467 120.657 120.200 -0.016 0.000 2.204 524 E HA -0.108 4.243 4.350 0.001 0.000 0.194 524 E C 2.244 178.768 176.600 -0.128 0.000 0.989 524 E CA 1.024 57.425 56.400 0.002 0.000 0.824 524 E CB -0.177 29.540 29.700 0.027 0.000 0.756 524 E HN 0.575 nan 8.360 nan 0.000 0.477 525 M N -0.833 118.568 119.600 -0.332 0.000 2.447 525 M HA 0.094 4.575 4.480 0.001 0.000 0.266 525 M C 2.245 178.291 176.300 -0.423 0.000 1.120 525 M CA 1.165 55.967 55.300 -0.830 0.000 1.166 525 M CB -0.092 32.103 32.600 -0.675 0.000 1.349 525 M HN 0.073 nan 8.290 nan 0.000 0.463 526 G N 0.277 109.017 108.800 -0.099 0.000 2.395 526 G HA2 -0.021 3.940 3.960 0.001 0.000 0.214 526 G HA3 -0.021 3.940 3.960 0.001 0.000 0.214 526 G C 1.657 176.641 174.900 0.139 0.000 1.177 526 G CA 0.805 45.988 45.100 0.138 0.000 0.794 526 G HN 0.460 nan 8.290 nan 0.000 0.532 527 A N 1.891 124.775 122.820 0.108 0.000 1.903 527 A HA -0.067 4.253 4.320 0.001 0.000 0.219 527 A C 0.760 178.402 177.584 0.096 0.000 1.191 527 A CA 2.364 54.486 52.037 0.142 0.000 0.638 527 A CB -1.393 17.694 19.000 0.145 0.000 0.823 527 A HN 0.396 nan 8.150 nan 0.000 0.451 528 P HA -0.096 nan 4.420 nan 0.000 0.217 528 P C 1.153 178.379 177.300 -0.124 0.000 1.150 528 P CA 1.012 64.101 63.100 -0.017 0.000 0.832 528 P CB -0.172 31.546 31.700 0.030 0.000 0.787 529 F N -0.836 119.016 119.950 -0.163 0.000 2.206 529 F HA -0.125 4.403 4.527 0.001 0.000 0.298 529 F C 2.699 178.134 175.800 -0.609 0.000 1.090 529 F CA 1.122 58.777 58.000 -0.576 0.000 1.323 529 F CB -0.692 37.572 39.000 -1.228 0.000 1.028 529 F HN -0.070 nan 8.300 nan 0.000 0.492 530 S N 0.606 116.265 115.700 -0.067 0.000 2.348 530 S HA -0.152 4.319 4.470 0.001 0.000 0.221 530 S C 2.048 176.758 174.600 0.183 0.000 1.033 530 S CA 1.222 59.560 58.200 0.230 0.000 1.010 530 S CB -0.448 62.994 63.200 0.403 0.000 0.891 530 S HN 0.289 nan 8.310 nan 0.000 0.442 531 L N 0.691 122.004 121.223 0.150 0.000 2.093 531 L HA -0.026 4.315 4.340 0.001 0.000 0.208 531 L C 2.664 179.634 176.870 0.166 0.000 1.085 531 L CA 1.349 56.283 54.840 0.157 0.000 0.755 531 L CB -0.468 41.677 42.059 0.143 0.000 0.904 531 L HN 0.289 nan 8.230 nan 0.000 0.435 532 K N 0.784 121.265 120.400 0.135 0.000 2.097 532 K HA -0.111 4.210 4.320 0.001 0.000 0.206 532 K C 1.927 178.602 176.600 0.124 0.000 1.049 532 K CA 1.446 57.828 56.287 0.158 0.000 0.933 532 K CB -0.624 31.912 32.500 0.060 0.000 0.717 532 K HN 0.221 nan 8.250 nan 0.000 0.442 533 G N 0.238 109.072 108.800 0.057 0.000 2.432 533 G HA2 -0.149 3.811 3.960 0.001 0.000 0.219 533 G HA3 -0.149 3.811 3.960 0.001 0.000 0.219 533 G C 1.157 176.097 174.900 0.067 0.000 1.135 533 G CA 0.630 45.729 45.100 -0.000 0.000 0.767 533 G HN 0.173 nan 8.290 nan 0.000 0.550 534 L N -0.026 121.283 121.223 0.143 0.000 2.130 534 L HA 0.249 4.590 4.340 0.001 0.000 0.200 534 L C 2.683 179.676 176.870 0.205 0.000 1.075 534 L CA 0.703 55.642 54.840 0.164 0.000 0.768 534 L CB -1.147 41.002 42.059 0.151 0.000 0.933 534 L HN 0.105 nan 8.230 nan 0.000 0.451 535 L N -0.216 121.150 121.223 0.239 0.000 2.240 535 L HA 0.069 4.410 4.340 0.001 0.000 0.211 535 L C 2.367 179.520 176.870 0.471 0.000 1.106 535 L CA 1.259 56.272 54.840 0.288 0.000 0.793 535 L CB -1.816 40.304 42.059 0.101 0.000 0.927 535 L HN 0.289 nan 8.230 nan 0.000 0.446 536 G N -0.105 108.968 108.800 0.454 0.000 2.535 536 G HA2 -0.222 3.738 3.960 0.001 0.000 0.218 536 G HA3 -0.222 3.738 3.960 0.001 0.000 0.218 536 G C 0.942 176.050 174.900 0.346 0.000 1.122 536 G CA -0.093 45.247 45.100 0.400 0.000 0.769 536 G HN 0.366 nan 8.290 nan 0.000 0.549 537 N N 1.020 119.905 118.700 0.308 0.000 2.492 537 N HA 0.056 4.797 4.740 0.001 0.000 0.262 537 N C -1.280 174.374 175.510 0.239 0.000 1.202 537 N CA -1.320 51.875 53.050 0.241 0.000 0.926 537 N CB 1.952 40.581 38.487 0.238 0.000 1.078 537 N HN -0.049 nan 8.380 nan 0.000 0.454 538 P HA -0.074 nan 4.420 nan 0.000 0.230 538 P C 1.289 178.490 177.300 -0.165 0.000 1.158 538 P CA 0.875 63.883 63.100 -0.153 0.000 0.769 538 P CB -0.151 31.332 31.700 -0.362 0.000 0.807 539 I N -4.099 116.611 120.570 0.234 0.000 3.444 539 I HA 0.036 4.206 4.170 0.001 0.000 0.287 539 I C 1.073 177.515 176.117 0.540 0.000 1.302 539 I CA 0.736 62.352 61.300 0.528 0.000 1.368 539 I CB -1.065 37.329 38.000 0.656 0.000 1.048 539 I HN -0.209 nan 8.210 nan 0.000 0.487 540 C N 1.430 120.898 119.300 0.280 0.000 2.693 540 C HA 0.310 4.771 4.460 0.001 0.000 0.286 540 C C 1.439 176.375 174.990 -0.090 0.000 1.277 540 C CA -0.097 59.013 59.018 0.152 0.000 1.705 540 C CB -2.145 25.745 27.740 0.252 0.000 1.879 540 C HN 0.683 nan 8.230 nan 0.000 0.607 541 S N 1.049 116.581 115.700 -0.281 0.000 2.578 541 S HA 0.396 4.867 4.470 0.001 0.000 0.283 541 S C -1.532 172.944 174.600 -0.206 0.000 1.195 541 S CA -0.920 56.858 58.200 -0.704 0.000 1.050 541 S CB 1.484 64.210 63.200 -0.789 0.000 1.012 541 S HN 0.008 nan 8.310 nan 0.000 0.511 542 P HA -0.227 nan 4.420 nan 0.000 0.219 542 P C 1.319 178.554 177.300 -0.110 0.000 1.158 542 P CA 1.622 64.425 63.100 -0.495 0.000 0.895 542 P CB 0.066 31.438 31.700 -0.546 0.000 0.792 543 E N -1.240 118.924 120.200 -0.059 0.000 2.058 543 E HA -0.187 4.164 4.350 0.001 0.000 0.194 543 E C 2.172 178.927 176.600 0.259 0.000 0.997 543 E CA 1.561 58.021 56.400 0.099 0.000 0.801 543 E CB -0.814 28.970 29.700 0.141 0.000 0.746 543 E HN 0.401 nan 8.360 nan 0.000 0.450 544 Y N -1.870 118.430 120.300 -0.001 0.000 2.266 544 Y HA -0.014 4.537 4.550 0.001 0.000 0.294 544 Y C 1.227 177.202 175.900 0.126 0.000 1.127 544 Y CA -0.262 57.852 58.100 0.025 0.000 1.140 544 Y CB -0.189 38.304 38.460 0.054 0.000 1.071 544 Y HN 0.124 nan 8.280 nan 0.000 0.525 545 W N 4.602 126.059 121.300 0.263 0.000 1.033 545 W HA -0.023 4.637 4.660 0.001 0.000 0.559 545 W C -0.781 175.841 176.519 0.171 0.000 0.565 545 W CA 0.911 58.466 57.345 0.350 0.000 2.703 545 W CB -0.718 29.018 29.460 0.459 0.000 0.840 545 W HN 0.155 nan 8.180 nan 0.000 0.198 546 K N 0.059 120.332 120.400 -0.211 0.000 2.352 546 K HA 0.509 4.829 4.320 0.001 0.000 0.240 546 K C 0.788 176.893 176.600 -0.825 0.000 1.017 546 K CA -0.352 55.694 56.287 -0.402 0.000 0.851 546 K CB 1.383 33.779 32.500 -0.173 0.000 1.261 546 K HN -0.108 nan 8.250 nan 0.000 0.451 547 A N 0.657 123.064 122.820 -0.687 0.000 1.897 547 A HA -0.160 4.161 4.320 0.001 0.000 0.215 547 A C 2.036 179.506 177.584 -0.189 0.000 1.181 547 A CA 1.945 53.676 52.037 -0.509 0.000 0.620 547 A CB -1.049 17.885 19.000 -0.109 0.000 0.821 547 A HN 0.822 nan 8.150 nan 0.000 0.443 548 S N 0.252 115.865 115.700 -0.145 0.000 2.406 548 S HA -0.325 4.146 4.470 0.001 0.000 0.242 548 S C 1.809 176.308 174.600 -0.169 0.000 1.079 548 S CA 2.480 60.624 58.200 -0.094 0.000 1.133 548 S CB -1.903 61.242 63.200 -0.092 0.000 1.005 548 S HN 0.561 nan 8.310 nan 0.000 0.443 549 T N 1.258 115.602 114.554 -0.349 0.000 2.760 549 T HA -0.080 4.271 4.350 0.001 0.000 0.269 549 T C 0.747 175.052 174.700 -0.659 0.000 1.047 549 T CA 1.547 63.281 62.100 -0.609 0.000 1.139 549 T CB -0.597 67.708 68.868 -0.938 0.000 0.855 549 T HN 0.591 nan 8.240 nan 0.000 0.471 550 F N 0.631 120.495 119.950 -0.143 0.000 2.850 550 F HA 0.505 5.033 4.527 0.001 0.000 0.306 550 F C 1.425 177.255 175.800 0.050 0.000 1.162 550 F CA -0.942 57.037 58.000 -0.035 0.000 1.327 550 F CB -0.136 38.845 39.000 -0.032 0.000 0.953 550 F HN 0.154 nan 8.300 nan 0.000 0.507 551 G N 0.935 109.848 108.800 0.188 0.000 2.371 551 G HA2 0.077 4.037 3.960 0.001 0.000 0.299 551 G HA3 0.077 4.037 3.960 0.001 0.000 0.299 551 G C 0.867 175.914 174.900 0.245 0.000 1.014 551 G CA 0.351 45.595 45.100 0.240 0.000 1.097 551 G HN 1.189 nan 8.290 nan 0.000 0.512 552 G N -0.452 108.446 108.800 0.163 0.000 2.562 552 G HA2 -0.072 3.889 3.960 0.001 0.000 0.250 552 G HA3 -0.072 3.889 3.960 0.001 0.000 0.250 552 G C 0.627 175.612 174.900 0.143 0.000 1.269 552 G CA 0.901 46.077 45.100 0.128 0.000 0.919 552 G HN 1.186 nan 8.290 nan 0.000 0.574 553 E N -0.785 119.484 120.200 0.114 0.000 2.112 553 E HA 0.111 4.461 4.350 0.001 0.000 0.190 553 E C 2.787 179.452 176.600 0.107 0.000 0.979 553 E CA 1.692 58.168 56.400 0.125 0.000 0.814 553 E CB -0.174 29.570 29.700 0.074 0.000 0.762 553 E HN 0.577 nan 8.360 nan 0.000 0.460 554 V N -0.068 119.891 119.914 0.075 0.000 2.427 554 V HA -0.135 3.985 4.120 0.001 0.000 0.248 554 V C 2.249 178.397 176.094 0.090 0.000 1.051 554 V CA 1.774 64.108 62.300 0.057 0.000 1.048 554 V CB -1.074 30.765 31.823 0.028 0.000 0.666 554 V HN 0.409 nan 8.190 nan 0.000 0.456 555 G N -0.653 108.232 108.800 0.141 0.000 2.433 555 G HA2 -0.261 3.700 3.960 0.001 0.000 0.216 555 G HA3 -0.261 3.700 3.960 0.001 0.000 0.216 555 G C 1.537 176.532 174.900 0.160 0.000 1.186 555 G CA 0.776 45.992 45.100 0.193 0.000 0.779 555 G HN 0.379 nan 8.290 nan 0.000 0.543 556 F N 2.169 122.072 119.950 -0.077 0.000 2.134 556 F HA -0.031 4.496 4.527 0.001 0.000 0.299 556 F C 2.422 178.080 175.800 -0.237 0.000 1.097 556 F CA 0.982 58.792 58.000 -0.318 0.000 1.264 556 F CB -0.426 38.430 39.000 -0.241 0.000 1.001 556 F HN 0.084 nan 8.300 nan 0.000 0.479 557 N N 0.349 119.053 118.700 0.007 0.000 2.270 557 N HA -0.116 4.624 4.740 0.001 0.000 0.181 557 N C 2.229 177.719 175.510 -0.034 0.000 1.016 557 N CA 0.673 53.681 53.050 -0.070 0.000 0.870 557 N CB -0.422 38.045 38.487 -0.032 0.000 0.979 557 N HN 0.311 nan 8.380 nan 0.000 0.431 558 L N 0.466 121.695 121.223 0.009 0.000 2.012 558 L HA -0.168 4.173 4.340 0.001 0.000 0.210 558 L C 2.217 179.115 176.870 0.047 0.000 1.073 558 L CA 1.027 55.888 54.840 0.035 0.000 0.748 558 L CB -0.497 41.600 42.059 0.063 0.000 0.891 558 L HN -0.027 nan 8.230 nan 0.000 0.431 559 V N 0.099 120.024 119.914 0.019 0.000 2.233 559 V HA -0.338 3.783 4.120 0.001 0.000 0.247 559 V C 2.407 178.577 176.094 0.127 0.000 1.050 559 V CA 2.032 64.382 62.300 0.083 0.000 1.010 559 V CB -0.543 31.278 31.823 -0.004 0.000 0.637 559 V HN 0.427 nan 8.190 nan 0.000 0.444 560 K N 0.296 120.702 120.400 0.010 0.000 2.218 560 K HA -0.168 4.153 4.320 0.001 0.000 0.205 560 K C 1.749 178.387 176.600 0.063 0.000 1.046 560 K CA 1.898 58.204 56.287 0.032 0.000 0.933 560 K CB -0.363 32.041 32.500 -0.159 0.000 0.728 560 K HN 0.739 nan 8.250 nan 0.000 0.454 561 T N -2.572 112.005 114.554 0.039 0.000 3.092 561 T HA 0.415 4.766 4.350 0.001 0.000 0.258 561 T C 0.478 175.207 174.700 0.049 0.000 1.031 561 T CA -0.402 61.720 62.100 0.036 0.000 0.925 561 T CB 0.319 69.192 68.868 0.008 0.000 1.036 561 T HN 0.104 nan 8.240 nan 0.000 0.544 562 A N 1.186 124.054 122.820 0.080 0.000 2.507 562 A HA 0.558 4.879 4.320 0.001 0.000 0.235 562 A C 0.389 178.008 177.584 0.059 0.000 1.070 562 A CA 0.089 52.174 52.037 0.080 0.000 0.768 562 A CB -0.010 19.071 19.000 0.135 0.000 1.011 562 A HN 0.444 nan 8.150 nan 0.000 0.502 563 T N 0.718 115.285 114.554 0.021 0.000 2.840 563 T HA 0.332 4.682 4.350 0.001 0.000 0.317 563 T C 0.793 175.449 174.700 -0.073 0.000 1.401 563 T CA -0.307 61.779 62.100 -0.022 0.000 1.028 563 T CB 1.156 70.001 68.868 -0.039 0.000 1.317 563 T HN 0.642 nan 8.240 nan 0.000 0.495 564 L N 2.541 123.675 121.223 -0.148 0.000 2.027 564 L HA 0.196 4.537 4.340 0.001 0.000 0.206 564 L C 2.411 179.156 176.870 -0.207 0.000 1.074 564 L CA 2.022 56.723 54.840 -0.231 0.000 0.745 564 L CB -0.547 41.206 42.059 -0.509 0.000 0.898 564 L HN 0.697 nan 8.230 nan 0.000 0.433 565 K N -0.316 119.962 120.400 -0.204 0.000 1.991 565 K HA -0.260 4.061 4.320 0.001 0.000 0.212 565 K C 2.209 178.730 176.600 -0.131 0.000 1.049 565 K CA 2.084 58.267 56.287 -0.173 0.000 0.932 565 K CB -0.147 32.261 32.500 -0.154 0.000 0.717 565 K HN 0.260 nan 8.250 nan 0.000 0.441 566 K N 0.496 120.834 120.400 -0.103 0.000 2.009 566 K HA -0.192 4.129 4.320 0.001 0.000 0.210 566 K C 2.171 178.712 176.600 -0.099 0.000 1.049 566 K CA 1.625 57.864 56.287 -0.080 0.000 0.929 566 K CB -0.367 32.102 32.500 -0.050 0.000 0.714 566 K HN 0.139 nan 8.250 nan 0.000 0.440 567 L N 0.934 122.084 121.223 -0.121 0.000 2.089 567 L HA -0.237 4.104 4.340 0.001 0.000 0.213 567 L C 1.883 178.636 176.870 -0.196 0.000 1.079 567 L CA 1.633 56.363 54.840 -0.184 0.000 0.758 567 L CB -0.223 41.674 42.059 -0.270 0.000 0.891 567 L HN -0.032 nan 8.230 nan 0.000 0.433 568 V N -1.566 118.246 119.914 -0.171 0.000 2.249 568 V HA -0.250 3.871 4.120 0.001 0.000 0.239 568 V C 2.402 178.421 176.094 -0.126 0.000 1.038 568 V CA 1.759 63.964 62.300 -0.159 0.000 1.005 568 V CB -0.727 31.004 31.823 -0.153 0.000 0.646 568 V HN 0.575 nan 8.190 nan 0.000 0.455 569 c N 0.152 118.685 118.600 -0.111 0.000 2.449 569 c HA -0.008 4.563 4.570 0.001 0.000 0.283 569 c C 2.505 176.550 174.090 -0.074 0.000 1.453 569 c CA 0.141 56.418 56.329 -0.088 0.000 1.779 569 c CB -1.287 41.175 42.510 -0.081 0.000 1.779 569 c HN 0.460 nan 8.230 nan 0.000 0.546 570 L N 1.194 122.371 121.223 -0.077 0.000 2.240 570 L HA 0.043 4.383 4.340 0.001 0.000 0.211 570 L C 1.668 178.497 176.870 -0.068 0.000 1.106 570 L CA 1.692 56.495 54.840 -0.063 0.000 0.793 570 L CB -0.706 41.320 42.059 -0.055 0.000 0.927 570 L HN 0.388 nan 8.230 nan 0.000 0.446 571 N N -0.885 117.763 118.700 -0.086 0.000 2.238 571 N HA 0.088 4.829 4.740 0.001 0.000 0.222 571 N C 0.267 175.718 175.510 -0.098 0.000 1.133 571 N CA 0.315 53.309 53.050 -0.093 0.000 0.854 571 N CB 0.810 39.231 38.487 -0.110 0.000 1.041 571 N HN 0.362 nan 8.380 nan 0.000 0.510 572 T N -4.708 109.795 114.554 -0.085 0.000 2.883 572 T HA 0.503 4.853 4.350 0.001 0.000 0.296 572 T C 1.119 175.784 174.700 -0.058 0.000 1.117 572 T CA -0.507 61.547 62.100 -0.077 0.000 1.006 572 T CB 1.959 70.782 68.868 -0.076 0.000 1.191 572 T HN -0.052 nan 8.240 nan 0.000 0.508 573 K N 0.380 120.752 120.400 -0.047 0.000 2.103 573 K HA 0.286 4.607 4.320 0.001 0.000 0.204 573 K C 1.472 178.055 176.600 -0.029 0.000 1.052 573 K CA 1.734 58.001 56.287 -0.034 0.000 0.945 573 K CB -1.137 31.348 32.500 -0.024 0.000 0.722 573 K HN 1.185 nan 8.250 nan 0.000 0.443 574 T N -4.929 109.607 114.554 -0.030 0.000 2.773 574 T HA 0.515 4.866 4.350 0.001 0.000 0.278 574 T C -0.597 174.082 174.700 -0.035 0.000 1.011 574 T CA -0.343 61.742 62.100 -0.026 0.000 1.014 574 T CB 1.552 70.410 68.868 -0.016 0.000 1.293 574 T HN 0.361 nan 8.240 nan 0.000 0.554 575 c N 3.339 121.920 118.600 -0.031 0.000 2.478 575 c HA 0.715 5.286 4.570 0.001 0.000 0.334 575 c C -2.423 171.649 174.090 -0.030 0.000 1.106 575 c CA -1.093 55.211 56.329 -0.041 0.000 1.363 575 c CB -0.183 42.301 42.510 -0.044 0.000 1.941 575 c HN 0.902 nan 8.230 nan 0.000 0.436 576 P HA 0.220 nan 4.420 nan 0.000 0.281 576 P C -1.061 176.246 177.300 0.012 0.000 1.281 576 P CA -0.487 62.611 63.100 -0.003 0.000 0.811 576 P CB 0.472 32.160 31.700 -0.020 0.000 1.154 577 Y N 0.746 121.014 120.300 -0.053 0.000 2.770 577 Y HA 0.200 4.750 4.550 0.001 0.000 0.342 577 Y C -0.205 175.655 175.900 -0.067 0.000 1.221 577 Y CA 0.329 58.395 58.100 -0.058 0.000 1.560 577 Y CB -0.279 38.153 38.460 -0.046 0.000 1.213 577 Y HN 0.123 nan 8.280 nan 0.000 0.525 578 V N 6.841 126.429 119.914 -0.543 0.000 2.487 578 V HA 0.800 4.921 4.120 0.001 0.000 0.298 578 V C -0.939 174.741 176.094 -0.690 0.000 1.028 578 V CA 0.314 62.335 62.300 -0.464 0.000 0.860 578 V CB 1.477 33.132 31.823 -0.280 0.000 0.991 578 V HN 0.862 nan 8.190 nan 0.000 0.427 579 S N 4.559 119.914 115.700 -0.575 0.000 2.686 579 S HA 0.405 4.876 4.470 0.001 0.000 0.273 579 S C -0.460 174.003 174.600 -0.229 0.000 1.060 579 S CA -0.453 57.410 58.200 -0.563 0.000 0.845 579 S CB 0.827 63.524 63.200 -0.839 0.000 1.086 579 S HN 0.630 nan 8.310 nan 0.000 0.461 580 F N 1.780 121.722 119.950 -0.012 0.000 2.732 580 F HA 0.239 4.766 4.527 0.001 0.000 0.303 580 F C 0.953 176.874 175.800 0.200 0.000 1.110 580 F CA -0.007 58.103 58.000 0.184 0.000 1.355 580 F CB 0.138 39.303 39.000 0.275 0.000 1.081 580 F HN 0.675 nan 8.300 nan 0.000 0.565 581 H N -2.532 116.706 119.070 0.280 0.000 2.895 581 H HA 0.524 5.080 4.556 0.001 0.000 0.373 581 H C -0.569 174.948 175.328 0.315 0.000 1.174 581 H CA -1.690 54.489 56.048 0.218 0.000 1.144 581 H CB 0.514 30.353 29.762 0.129 0.000 1.793 581 H HN -0.152 nan 8.280 nan 0.000 0.551 582 V N -0.319 119.793 119.914 0.329 0.000 2.999 582 V HA 0.266 4.386 4.120 0.001 0.000 0.307 582 V C -2.122 174.087 176.094 0.192 0.000 1.084 582 V CA -1.236 61.185 62.300 0.203 0.000 1.155 582 V CB -0.117 31.770 31.823 0.108 0.000 0.975 582 V HN 0.876 nan 8.190 nan 0.000 0.490 583 P HA 0.289 nan 4.420 nan 0.000 0.286 583 P C -0.636 176.641 177.300 -0.039 0.000 1.293 583 P CA -0.112 62.873 63.100 -0.193 0.000 0.770 583 P CB 0.643 31.974 31.700 -0.616 0.000 1.206 584 D N 0.000 120.389 120.400 -0.019 0.000 6.856 584 D HA 0.000 4.641 4.640 0.001 0.000 0.175 584 D CA 0.000 53.993 54.000 -0.012 0.000 0.868 584 D CB 0.000 40.803 40.800 0.005 0.000 0.688 584 D HN 0.000 nan 8.370 nan 0.000 0.683