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 1yaj_1_G DATA FIRST_RESID 21 DATA SEQUENCE SSPPVVDTVH GKVLGKFVSL EGFAQPVAIF LGIPFAKPPL GPLRFTPPQP DATA SEQUENCE AEPWSFVKNA TSYPPMcTQD PKAGQLLSEL FTNRKENIPL KLSEDcLYLN DATA SEQUENCE IYTPADLTKK NRLPVMVWIH GGGLMVGAAS TYDGLALAAH ENVVVVTIQY DATA SEQUENCE RLGIWGFFST GDEHSRGNWG HLDQVAALRW VQDNIASFGG NPGSVTIFGE DATA SEQUENCE SAGGESVSVL VLSPLAKNLF HRAISESGVA LTSVLVKKGD VKPLAEQIAI DATA SEQUENCE TAGcKTTTSA VMVHcLRQKT EEELLETTLK MKFLSLDLQG DPRESQPLLG DATA SEQUENCE TVIDGMLLLK TPEELQAERN FHTVPYMVGI NKQEFGWLIP MXLMSYPLSE DATA SEQUENCE GQLDQKTAMS LLWKSYPLVC IAKELIPEAT EKYLGGTDDT VKKKDLFLDL DATA SEQUENCE IADVMFGVPS VIVARNHRDA GAPTYMYEFQ YRPSFSSDMK PKTVIGDHGD DATA SEQUENCE ELFSVFGAPF LKEGASEEEI RLSKMVMKFW ANFARNGNPN GEGLPHWPEY DATA SEQUENCE NQKEGYLQIG ANTQAAQKLK DKEVAFWTNL FAK 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 21 S HA 0.000 nan 4.470 nan 0.000 0.327 21 S C 0.000 174.681 174.600 0.136 0.000 1.055 21 S CA 0.000 58.260 58.200 0.100 0.000 1.107 21 S CB 0.000 63.267 63.200 0.113 0.000 0.593 22 S N 1.372 117.164 115.700 0.154 0.000 2.489 22 S HA 0.609 5.078 4.470 -0.000 0.000 0.277 22 S C -2.890 171.777 174.600 0.111 0.000 1.230 22 S CA -1.113 57.155 58.200 0.113 0.000 1.053 22 S CB 0.035 63.289 63.200 0.090 0.000 0.955 22 S HN 0.385 nan 8.310 nan 0.000 0.488 23 P HA 0.117 nan 4.420 nan 0.000 0.261 23 P C -2.463 174.751 177.300 -0.144 0.000 1.165 23 P CA -0.440 62.608 63.100 -0.086 0.000 0.759 23 P CB -0.523 31.135 31.700 -0.069 0.000 0.772 24 P HA 0.088 nan 4.420 nan 0.000 0.271 24 P C -0.855 176.419 177.300 -0.044 0.000 1.226 24 P CA 0.274 63.195 63.100 -0.299 0.000 0.765 24 P CB 0.548 31.879 31.700 -0.616 0.000 0.835 25 V N 5.188 125.122 119.914 0.033 0.000 2.444 25 V HA 0.314 4.433 4.120 -0.000 0.000 0.294 25 V C -0.008 176.111 176.094 0.042 0.000 1.022 25 V CA -0.594 61.758 62.300 0.087 0.000 0.850 25 V CB 2.174 34.036 31.823 0.065 0.000 0.992 25 V HN 0.209 nan 8.190 nan 0.000 0.426 26 V N 3.356 123.277 119.914 0.012 0.000 2.513 26 V HA 0.465 4.585 4.120 -0.000 0.000 0.299 26 V C -0.340 175.675 176.094 -0.133 0.000 1.035 26 V CA -0.651 61.508 62.300 -0.235 0.000 0.889 26 V CB 2.112 33.437 31.823 -0.831 0.000 0.988 26 V HN 0.834 nan 8.190 nan 0.000 0.440 27 D N 3.196 123.512 120.400 -0.140 0.000 2.359 27 D HA 0.353 4.993 4.640 -0.000 0.000 0.230 27 D C 0.240 176.493 176.300 -0.079 0.000 1.118 27 D CA 0.030 53.996 54.000 -0.056 0.000 0.844 27 D CB 1.706 42.475 40.800 -0.053 0.000 1.059 27 D HN 0.789 nan 8.370 nan 0.000 0.493 28 T N -0.567 113.998 114.554 0.018 0.000 2.893 28 T HA 0.259 4.609 4.350 -0.000 0.000 0.279 28 T C 1.661 176.309 174.700 -0.086 0.000 0.991 28 T CA -0.597 61.511 62.100 0.015 0.000 0.950 28 T CB 0.825 69.863 68.868 0.284 0.000 1.223 28 T HN 0.030 nan 8.240 nan 0.000 0.585 29 V N 0.920 120.729 119.914 -0.174 0.000 2.427 29 V HA -0.089 4.031 4.120 -0.000 0.000 0.248 29 V C 2.461 178.411 176.094 -0.239 0.000 1.051 29 V CA 1.511 63.661 62.300 -0.249 0.000 1.048 29 V CB -1.176 30.421 31.823 -0.378 0.000 0.666 29 V HN 0.837 nan 8.190 nan 0.000 0.456 30 H N -0.006 118.908 119.070 -0.261 0.000 2.551 30 H HA 0.483 5.039 4.556 -0.000 0.000 0.266 30 H C 1.010 175.564 175.328 -1.290 0.000 0.964 30 H CA 0.757 56.412 56.048 -0.655 0.000 1.180 30 H CB 0.566 29.941 29.762 -0.645 0.000 1.408 30 H HN 0.535 nan 8.280 nan 0.000 0.563 31 G N -0.096 108.259 108.800 -0.742 0.000 2.356 31 G HA2 0.059 4.019 3.960 -0.000 0.000 0.300 31 G HA3 0.059 4.019 3.960 -0.000 0.000 0.300 31 G C -1.376 173.697 174.900 0.288 0.000 1.331 31 G CA -1.131 43.640 45.100 -0.548 0.000 0.905 31 G HN 0.002 nan 8.290 nan 0.000 0.587 32 K N -0.195 120.464 120.400 0.432 0.000 2.322 32 K HA 0.547 4.867 4.320 -0.000 0.000 0.283 32 K C -0.227 176.680 176.600 0.511 0.000 1.042 32 K CA -0.365 56.153 56.287 0.384 0.000 0.958 32 K CB 1.703 34.346 32.500 0.237 0.000 0.984 32 K HN 0.312 nan 8.250 nan 0.000 0.473 33 V N 4.203 124.336 119.914 0.366 0.000 2.581 33 V HA 0.306 4.426 4.120 -0.000 0.000 0.303 33 V C -0.631 175.670 176.094 0.345 0.000 1.041 33 V CA -1.033 61.470 62.300 0.339 0.000 0.907 33 V CB 1.808 33.876 31.823 0.409 0.000 0.994 33 V HN 0.557 nan 8.190 nan 0.000 0.442 34 L N 4.074 125.453 121.223 0.260 0.000 2.305 34 L HA 0.810 5.150 4.340 -0.000 0.000 0.284 34 L C 0.308 177.165 176.870 -0.021 0.000 1.013 34 L CA 0.422 55.345 54.840 0.138 0.000 0.819 34 L CB 0.849 42.933 42.059 0.042 0.000 1.227 34 L HN 0.769 nan 8.230 nan 0.000 0.417 35 G N 4.833 113.402 108.800 -0.386 0.000 2.940 35 G HA2 0.576 4.536 3.960 -0.000 0.000 0.164 35 G HA3 0.576 4.536 3.960 -0.000 0.000 0.164 35 G C -1.036 173.495 174.900 -0.615 0.000 1.326 35 G CA -0.460 44.056 45.100 -0.972 0.000 1.020 35 G HN 0.703 nan 8.290 nan 0.000 0.586 36 K N -1.024 118.997 120.400 -0.632 0.000 2.550 36 K HA 0.444 4.764 4.320 -0.000 0.000 0.252 36 K C -1.767 174.681 176.600 -0.253 0.000 0.943 36 K CA -0.740 55.332 56.287 -0.358 0.000 0.806 36 K CB 1.504 33.867 32.500 -0.228 0.000 1.289 36 K HN 0.283 nan 8.250 nan 0.000 0.435 37 F N 2.655 122.539 119.950 -0.111 0.000 2.472 37 F HA 0.251 4.777 4.527 -0.000 0.000 0.364 37 F C -0.102 175.680 175.800 -0.031 0.000 1.090 37 F CA -0.591 57.378 58.000 -0.052 0.000 1.188 37 F CB 1.369 40.356 39.000 -0.022 0.000 1.105 37 F HN 0.158 nan 8.300 nan 0.000 0.536 38 V N 3.384 123.437 119.914 0.232 0.000 2.604 38 V HA 0.330 4.450 4.120 -0.000 0.000 0.305 38 V C -0.456 175.703 176.094 0.109 0.000 1.043 38 V CA -0.710 61.668 62.300 0.130 0.000 0.888 38 V CB 2.108 33.993 31.823 0.103 0.000 0.995 38 V HN 0.646 nan 8.190 nan 0.000 0.429 39 S N 4.058 119.801 115.700 0.073 0.000 2.449 39 S HA 0.627 5.097 4.470 -0.000 0.000 0.310 39 S C -0.654 173.986 174.600 0.067 0.000 1.096 39 S CA -0.361 57.873 58.200 0.057 0.000 1.095 39 S CB 1.266 64.489 63.200 0.037 0.000 1.007 39 S HN 0.570 nan 8.310 nan 0.000 0.474 40 L N 4.588 125.849 121.223 0.064 0.000 2.292 40 L HA 0.358 4.698 4.340 -0.000 0.000 0.284 40 L C 0.264 177.239 176.870 0.175 0.000 1.065 40 L CA -0.391 54.495 54.840 0.076 0.000 0.806 40 L CB 0.524 42.545 42.059 -0.064 0.000 1.175 40 L HN 0.740 nan 8.230 nan 0.000 0.431 41 E N 4.088 124.385 120.200 0.163 0.000 3.288 41 E HA 0.190 4.540 4.350 -0.000 0.000 0.237 41 E C 0.910 177.642 176.600 0.219 0.000 0.958 41 E CA 0.665 57.166 56.400 0.168 0.000 0.947 41 E CB -0.593 29.203 29.700 0.159 0.000 0.896 41 E HN 0.942 nan 8.360 nan 0.000 0.566 42 G N 3.240 112.125 108.800 0.142 0.000 2.397 42 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.211 42 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.211 42 G C -0.072 174.800 174.900 -0.046 0.000 1.077 42 G CA -0.226 44.899 45.100 0.041 0.000 0.649 42 G HN 0.451 nan 8.290 nan 0.000 0.511 43 F N 2.188 122.108 119.950 -0.050 0.000 2.467 43 F HA 0.620 5.147 4.527 -0.000 0.000 0.362 43 F C 1.570 177.341 175.800 -0.048 0.000 1.090 43 F CA 0.237 58.197 58.000 -0.067 0.000 1.202 43 F CB 1.515 40.456 39.000 -0.099 0.000 1.113 43 F HN 0.287 nan 8.300 nan 0.000 0.541 44 A N 2.396 125.253 122.820 0.061 0.000 2.067 44 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 44 A C 1.085 178.684 177.584 0.025 0.000 1.156 44 A CA 0.287 52.337 52.037 0.023 0.000 0.683 44 A CB -0.466 18.525 19.000 -0.014 0.000 0.808 44 A HN 0.673 nan 8.150 nan 0.000 0.455 45 Q N 1.462 121.308 119.800 0.076 0.000 2.295 45 Q HA 0.331 4.671 4.340 -0.000 0.000 0.259 45 Q C -2.596 173.423 176.000 0.032 0.000 0.976 45 Q CA -2.229 53.603 55.803 0.048 0.000 0.923 45 Q CB 0.873 29.669 28.738 0.096 0.000 1.185 45 Q HN 0.261 nan 8.270 nan 0.000 0.410 46 P HA 0.110 nan 4.420 nan 0.000 0.284 46 P C -1.052 176.315 177.300 0.110 0.000 1.253 46 P CA -0.360 62.694 63.100 -0.077 0.000 0.800 46 P CB 1.208 32.633 31.700 -0.458 0.000 0.961 47 V N 2.871 122.900 119.914 0.192 0.000 2.432 47 V HA 0.406 4.526 4.120 -0.000 0.000 0.275 47 V C 0.844 177.146 176.094 0.347 0.000 1.043 47 V CA -0.685 61.765 62.300 0.251 0.000 0.925 47 V CB 0.872 32.797 31.823 0.169 0.000 0.985 47 V HN 0.725 nan 8.190 nan 0.000 0.466 48 A N 6.821 129.846 122.820 0.342 0.000 2.354 48 A HA 0.681 5.001 4.320 -0.000 0.000 0.281 48 A C -0.364 177.268 177.584 0.079 0.000 1.174 48 A CA -0.140 51.986 52.037 0.149 0.000 0.828 48 A CB -0.089 19.096 19.000 0.308 0.000 1.099 48 A HN 0.784 nan 8.150 nan 0.000 0.516 49 I N 2.462 122.887 120.570 -0.242 0.000 2.406 49 I HA 0.447 4.617 4.170 -0.000 0.000 0.290 49 I C -1.295 174.476 176.117 -0.576 0.000 0.999 49 I CA -0.289 60.827 61.300 -0.307 0.000 1.124 49 I CB 1.574 39.427 38.000 -0.244 0.000 1.289 49 I HN 0.570 nan 8.210 nan 0.000 0.441 50 F N 6.720 126.545 119.950 -0.209 0.000 2.518 50 F HA 0.554 5.081 4.527 -0.000 0.000 0.323 50 F C -0.524 175.171 175.800 -0.176 0.000 1.129 50 F CA -0.602 57.329 58.000 -0.115 0.000 0.920 50 F CB 1.588 40.610 39.000 0.037 0.000 1.160 50 F HN 0.079 nan 8.300 nan 0.000 0.440 51 L N 2.908 124.118 121.223 -0.022 0.000 2.372 51 L HA 0.680 5.020 4.340 -0.000 0.000 0.273 51 L C 0.377 177.231 176.870 -0.027 0.000 0.989 51 L CA -0.783 54.034 54.840 -0.039 0.000 0.841 51 L CB 1.659 43.614 42.059 -0.174 0.000 1.225 51 L HN 0.910 nan 8.230 nan 0.000 0.414 52 G N 3.471 112.293 108.800 0.037 0.000 2.207 52 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.216 52 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.216 52 G C -0.256 174.735 174.900 0.151 0.000 1.053 52 G CA -0.651 44.453 45.100 0.008 0.000 0.764 52 G HN 0.506 nan 8.290 nan 0.000 0.495 53 I N 2.318 122.963 120.570 0.124 0.000 2.363 53 I HA 0.237 4.407 4.170 -0.000 0.000 0.292 53 I C -1.416 174.741 176.117 0.067 0.000 1.075 53 I CA -2.122 59.210 61.300 0.053 0.000 1.333 53 I CB 0.955 38.928 38.000 -0.045 0.000 1.415 53 I HN -0.011 nan 8.210 nan 0.000 0.502 54 P HA -0.035 nan 4.420 nan 0.000 0.266 54 P C 0.032 177.296 177.300 -0.059 0.000 1.215 54 P CA 0.146 63.160 63.100 -0.142 0.000 0.763 54 P CB 0.303 31.931 31.700 -0.119 0.000 0.806 55 F N 1.709 121.469 119.950 -0.316 0.000 2.695 55 F HA 0.661 5.188 4.527 -0.000 0.000 0.303 55 F C 0.358 176.170 175.800 0.019 0.000 1.091 55 F CA -0.600 57.254 58.000 -0.244 0.000 1.300 55 F CB 0.279 39.046 39.000 -0.389 0.000 1.071 55 F HN 0.315 nan 8.300 nan 0.000 0.578 56 A N 0.744 123.297 122.820 -0.446 0.000 2.606 56 A HA 0.451 4.771 4.320 -0.000 0.000 0.293 56 A C -0.767 176.635 177.584 -0.303 0.000 1.082 56 A CA -1.097 50.752 52.037 -0.314 0.000 0.685 56 A CB 1.044 19.780 19.000 -0.441 0.000 1.284 56 A HN 0.191 nan 8.150 nan 0.000 0.408 57 K N 0.258 120.550 120.400 -0.180 0.000 2.285 57 K HA 0.254 4.574 4.320 -0.000 0.000 0.255 57 K C -2.356 174.101 176.600 -0.237 0.000 1.000 57 K CA -0.768 55.420 56.287 -0.165 0.000 0.887 57 K CB 0.104 32.544 32.500 -0.101 0.000 0.997 57 K HN 0.340 nan 8.250 nan 0.000 0.510 58 P HA 0.101 nan 4.420 nan 0.000 0.282 58 P C -2.323 174.876 177.300 -0.168 0.000 1.262 58 P CA -1.208 61.775 63.100 -0.195 0.000 0.773 58 P CB 0.731 32.355 31.700 -0.127 0.000 0.879 59 P HA -0.001 nan 4.420 nan 0.000 0.262 59 P C -0.578 176.618 177.300 -0.172 0.000 1.647 59 P CA 0.533 63.524 63.100 -0.183 0.000 0.865 59 P CB -0.055 31.528 31.700 -0.195 0.000 1.834 60 L N -0.746 120.393 121.223 -0.140 0.000 2.360 60 L HA 0.549 4.889 4.340 -0.000 0.000 0.271 60 L C 1.659 178.467 176.870 -0.104 0.000 1.057 60 L CA 0.004 54.773 54.840 -0.118 0.000 0.803 60 L CB 0.552 42.555 42.059 -0.093 0.000 1.207 60 L HN 0.243 nan 8.230 nan 0.000 0.445 61 G N 1.925 110.668 108.800 -0.094 0.000 2.565 61 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.295 61 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.295 61 G C -1.385 173.463 174.900 -0.088 0.000 1.165 61 G CA 0.231 45.285 45.100 -0.078 0.000 0.977 61 G HN 0.607 nan 8.290 nan 0.000 0.546 62 P HA 0.100 nan 4.420 nan 0.000 0.225 62 P C 1.909 179.163 177.300 -0.076 0.000 1.156 62 P CA 1.188 64.261 63.100 -0.045 0.000 0.787 62 P CB -0.083 31.607 31.700 -0.016 0.000 0.802 63 L N -0.601 120.558 121.223 -0.107 0.000 2.650 63 L HA 0.090 4.430 4.340 -0.000 0.000 0.235 63 L C 1.649 178.376 176.870 -0.238 0.000 1.149 63 L CA -0.111 54.642 54.840 -0.144 0.000 0.887 63 L CB -0.579 41.405 42.059 -0.125 0.000 1.021 63 L HN -0.068 nan 8.230 nan 0.000 0.441 64 R N 0.896 121.228 120.500 -0.279 0.000 2.267 64 R HA 0.092 4.432 4.340 -0.000 0.000 0.319 64 R C -0.579 175.359 176.300 -0.603 0.000 1.067 64 R CA -0.171 55.626 56.100 -0.505 0.000 0.936 64 R CB 0.196 30.149 30.300 -0.579 0.000 1.006 64 R HN 0.084 nan 8.270 nan 0.000 0.452 65 F N 0.247 119.834 119.950 -0.605 0.000 2.737 65 F HA -0.236 4.291 4.527 -0.000 0.000 0.286 65 F C -0.129 174.725 175.800 -1.578 0.000 0.757 65 F CA 1.097 58.421 58.000 -1.127 0.000 1.542 65 F CB -2.311 36.457 39.000 -0.386 0.000 1.729 65 F HN 0.670 nan 8.300 nan 0.000 0.406 66 T N -3.445 110.394 114.554 -1.191 0.000 2.841 66 T HA 0.822 5.172 4.350 -0.000 0.000 0.296 66 T C -3.136 171.361 174.700 -0.338 0.000 1.166 66 T CA -2.384 59.278 62.100 -0.730 0.000 1.007 66 T CB 3.368 72.094 68.868 -0.238 0.000 1.253 66 T HN -0.252 nan 8.240 nan 0.000 0.511 67 P HA 0.300 nan 4.420 nan 0.000 0.271 67 P C -2.356 174.988 177.300 0.072 0.000 1.216 67 P CA -1.027 62.196 63.100 0.205 0.000 0.776 67 P CB -0.180 31.654 31.700 0.225 0.000 0.881 68 P HA 0.066 nan 4.420 nan 0.000 0.269 68 P C -0.727 176.586 177.300 0.022 0.000 1.209 68 P CA 0.174 63.279 63.100 0.007 0.000 0.776 68 P CB 0.709 32.415 31.700 0.010 0.000 0.876 69 Q N 2.624 122.413 119.800 -0.018 0.000 2.301 69 Q HA 0.445 4.785 4.340 -0.000 0.000 0.267 69 Q C -2.310 173.696 176.000 0.010 0.000 1.035 69 Q CA -2.066 53.740 55.803 0.005 0.000 0.856 69 Q CB 1.008 29.739 28.738 -0.013 0.000 1.337 69 Q HN 0.321 nan 8.270 nan 0.000 0.450 70 P HA -0.024 nan 4.420 nan 0.000 0.262 70 P C -1.196 176.095 177.300 -0.014 0.000 1.199 70 P CA 0.247 63.404 63.100 0.095 0.000 0.763 70 P CB 0.426 32.205 31.700 0.133 0.000 0.790 71 A N 4.183 126.985 122.820 -0.029 0.000 2.547 71 A HA 0.008 4.328 4.320 -0.000 0.000 0.233 71 A C 0.636 178.038 177.584 -0.304 0.000 1.067 71 A CA 0.118 52.082 52.037 -0.122 0.000 0.763 71 A CB -0.044 18.949 19.000 -0.012 0.000 1.007 71 A HN 0.447 nan 8.150 nan 0.000 0.506 72 E N 1.941 122.046 120.200 -0.158 0.000 2.331 72 E HA 0.287 4.637 4.350 -0.000 0.000 0.272 72 E C -2.210 174.304 176.600 -0.143 0.000 1.036 72 E CA -1.610 54.700 56.400 -0.151 0.000 0.864 72 E CB 0.422 30.098 29.700 -0.040 0.000 1.035 72 E HN 0.484 nan 8.360 nan 0.000 0.408 73 P HA 0.058 nan 4.420 nan 0.000 0.276 73 P C -0.672 176.580 177.300 -0.080 0.000 1.243 73 P CA -0.283 62.644 63.100 -0.287 0.000 0.768 73 P CB 0.042 31.596 31.700 -0.244 0.000 0.856 74 W N 2.319 123.654 121.300 0.058 0.000 2.215 74 W HA 0.483 5.143 4.660 -0.000 0.000 0.342 74 W C 0.948 177.495 176.519 0.047 0.000 1.237 74 W CA -0.568 56.818 57.345 0.067 0.000 1.283 74 W CB -0.608 28.914 29.460 0.104 0.000 1.131 74 W HN 0.188 nan 8.180 nan 0.000 0.606 75 S N 0.695 116.556 115.700 0.269 0.000 2.311 75 S HA -0.016 4.454 4.470 -0.000 0.000 0.209 75 S C 1.157 175.725 174.600 -0.053 0.000 1.029 75 S CA 0.658 58.870 58.200 0.020 0.000 0.968 75 S CB -0.442 62.750 63.200 -0.014 0.000 0.946 75 S HN 0.435 nan 8.310 nan 0.000 0.450 76 F N 1.148 121.226 119.950 0.214 0.000 2.373 76 F HA 0.319 4.846 4.527 -0.000 0.000 0.208 76 F C 0.714 176.681 175.800 0.277 0.000 1.020 76 F CA -0.337 57.776 58.000 0.188 0.000 1.010 76 F CB -0.732 38.340 39.000 0.121 0.000 1.904 76 F HN -0.078 nan 8.300 nan 0.000 0.685 77 V N 0.073 120.255 119.914 0.447 0.000 2.581 77 V HA 0.310 4.430 4.120 -0.000 0.000 0.303 77 V C -0.487 175.715 176.094 0.179 0.000 1.041 77 V CA -1.199 61.286 62.300 0.308 0.000 0.907 77 V CB 1.623 33.573 31.823 0.211 0.000 0.994 77 V HN 0.334 nan 8.190 nan 0.000 0.442 78 K N 3.333 123.758 120.400 0.042 0.000 2.316 78 K HA 0.328 4.648 4.320 -0.000 0.000 0.267 78 K C -0.194 176.357 176.600 -0.082 0.000 1.025 78 K CA -0.598 55.595 56.287 -0.157 0.000 0.896 78 K CB 0.461 32.593 32.500 -0.615 0.000 1.124 78 K HN 0.608 nan 8.250 nan 0.000 0.451 79 N N 3.050 121.711 118.700 -0.064 0.000 2.484 79 N HA -0.036 4.704 4.740 -0.000 0.000 0.295 79 N C -0.629 174.830 175.510 -0.086 0.000 1.240 79 N CA 0.200 53.214 53.050 -0.061 0.000 1.085 79 N CB 0.548 38.994 38.487 -0.068 0.000 1.465 79 N HN 0.536 nan 8.380 nan 0.000 0.496 80 A N 1.586 124.377 122.820 -0.049 0.000 2.655 80 A HA 0.163 4.483 4.320 -0.000 0.000 0.297 80 A C 1.435 178.944 177.584 -0.124 0.000 1.461 80 A CA -0.017 51.986 52.037 -0.056 0.000 1.146 80 A CB -0.339 18.712 19.000 0.086 0.000 1.108 80 A HN 0.596 nan 8.150 nan 0.000 0.550 81 T N -1.624 112.832 114.554 -0.163 0.000 3.176 81 T HA 0.163 4.512 4.350 -0.000 0.000 0.259 81 T C 0.810 175.349 174.700 -0.268 0.000 0.978 81 T CA 0.690 62.664 62.100 -0.210 0.000 1.050 81 T CB -0.195 68.572 68.868 -0.169 0.000 1.136 81 T HN 0.358 nan 8.240 nan 0.000 0.465 82 S N 1.664 117.233 115.700 -0.218 0.000 2.565 82 S HA 0.508 4.977 4.470 -0.000 0.000 0.276 82 S C -0.979 173.504 174.600 -0.196 0.000 1.326 82 S CA -0.574 57.500 58.200 -0.209 0.000 1.045 82 S CB 0.005 63.121 63.200 -0.140 0.000 0.918 82 S HN 0.361 nan 8.310 nan 0.000 0.505 83 Y N 3.952 124.197 120.300 -0.093 0.000 2.544 83 Y HA 0.169 4.719 4.550 -0.000 0.000 0.330 83 Y C -1.339 174.480 175.900 -0.136 0.000 1.136 83 Y CA -1.828 56.221 58.100 -0.085 0.000 1.417 83 Y CB -0.274 38.158 38.460 -0.047 0.000 1.229 83 Y HN 0.448 nan 8.280 nan 0.000 0.532 84 P HA 0.057 nan 4.420 nan 0.000 0.269 84 P C -2.665 174.589 177.300 -0.077 0.000 1.217 84 P CA -1.106 61.883 63.100 -0.186 0.000 0.783 84 P CB 0.425 32.024 31.700 -0.168 0.000 0.898 85 P HA 0.248 nan 4.420 nan 0.000 0.274 85 P C -0.281 176.999 177.300 -0.032 0.000 1.237 85 P CA -0.159 62.903 63.100 -0.064 0.000 0.793 85 P CB 0.258 31.915 31.700 -0.072 0.000 0.977 86 M N -0.292 119.267 119.600 -0.069 0.000 2.300 86 M HA 0.481 4.961 4.480 -0.000 0.000 0.348 86 M C -0.636 175.588 176.300 -0.125 0.000 1.151 86 M CA -0.707 54.541 55.300 -0.086 0.000 1.046 86 M CB 0.494 33.022 32.600 -0.119 0.000 1.647 86 M HN 0.118 nan 8.290 nan 0.000 0.451 87 c N 1.944 120.462 118.600 -0.136 0.000 2.608 87 c HA 0.052 4.622 4.570 -0.000 0.000 0.407 87 c C 1.081 175.005 174.090 -0.278 0.000 1.322 87 c CA -0.192 56.005 56.329 -0.220 0.000 1.778 87 c CB -0.830 41.571 42.510 -0.182 0.000 2.654 87 c HN 0.880 nan 8.230 nan 0.000 0.622 88 T N 3.947 118.203 114.554 -0.497 0.000 2.946 88 T HA 0.338 4.687 4.350 -0.000 0.000 0.312 88 T C -0.077 174.484 174.700 -0.232 0.000 1.066 88 T CA 0.302 62.094 62.100 -0.513 0.000 1.138 88 T CB -0.001 68.186 68.868 -1.135 0.000 1.014 88 T HN 0.898 nan 8.240 nan 0.000 0.544 89 Q N 0.259 120.023 119.800 -0.060 0.000 2.829 89 Q HA 0.301 4.641 4.340 -0.000 0.000 0.296 89 Q C -1.659 174.381 176.000 0.066 0.000 0.893 89 Q CA -1.172 54.670 55.803 0.065 0.000 0.772 89 Q CB 0.742 29.488 28.738 0.014 0.000 1.489 89 Q HN 0.418 nan 8.270 nan 0.000 0.420 90 D N 2.388 122.845 120.400 0.096 0.000 2.479 90 D HA -0.005 4.635 4.640 -0.000 0.000 0.257 90 D C -1.150 175.166 176.300 0.026 0.000 1.230 90 D CA -0.976 53.068 54.000 0.075 0.000 0.912 90 D CB 0.989 41.837 40.800 0.081 0.000 1.130 90 D HN 0.343 nan 8.370 nan 0.000 0.515 91 P HA -0.194 nan 4.420 nan 0.000 0.218 91 P C 1.350 178.640 177.300 -0.017 0.000 1.148 91 P CA 1.038 64.130 63.100 -0.012 0.000 0.822 91 P CB 0.445 32.138 31.700 -0.012 0.000 0.784 92 K N 0.297 120.694 120.400 -0.006 0.000 1.973 92 K HA -0.090 4.230 4.320 -0.000 0.000 0.212 92 K C 2.278 178.865 176.600 -0.022 0.000 1.047 92 K CA 1.629 57.909 56.287 -0.011 0.000 0.937 92 K CB -0.628 31.870 32.500 -0.002 0.000 0.721 92 K HN -0.042 nan 8.250 nan 0.000 0.440 93 A N 0.405 123.215 122.820 -0.016 0.000 2.015 93 A HA -0.037 4.283 4.320 -0.000 0.000 0.219 93 A C 2.202 179.756 177.584 -0.051 0.000 1.163 93 A CA 1.750 53.769 52.037 -0.030 0.000 0.646 93 A CB -0.804 18.192 19.000 -0.007 0.000 0.806 93 A HN 0.591 nan 8.150 nan 0.000 0.448 94 G N -1.097 107.678 108.800 -0.043 0.000 2.394 94 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.215 94 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.215 94 G C 1.615 176.463 174.900 -0.088 0.000 1.165 94 G CA 0.900 45.962 45.100 -0.065 0.000 0.784 94 G HN 0.560 nan 8.290 nan 0.000 0.535 95 Q N -0.343 119.414 119.800 -0.072 0.000 2.083 95 Q HA -0.034 4.306 4.340 -0.000 0.000 0.198 95 Q C 2.470 178.419 176.000 -0.085 0.000 0.969 95 Q CA 0.960 56.717 55.803 -0.077 0.000 0.838 95 Q CB -0.205 28.500 28.738 -0.056 0.000 0.900 95 Q HN 0.366 nan 8.270 nan 0.000 0.436 96 L N 1.038 122.215 121.223 -0.077 0.000 2.081 96 L HA -0.186 4.154 4.340 -0.000 0.000 0.212 96 L C 2.133 178.921 176.870 -0.136 0.000 1.080 96 L CA 1.488 56.279 54.840 -0.081 0.000 0.754 96 L CB -0.673 41.345 42.059 -0.068 0.000 0.893 96 L HN 0.351 nan 8.230 nan 0.000 0.433 97 L N -1.392 119.719 121.223 -0.187 0.000 2.095 97 L HA -0.083 4.257 4.340 -0.000 0.000 0.204 97 L C 2.651 179.315 176.870 -0.343 0.000 1.080 97 L CA 1.831 56.467 54.840 -0.339 0.000 0.759 97 L CB -0.678 41.197 42.059 -0.306 0.000 0.914 97 L HN 0.384 nan 8.230 nan 0.000 0.439 98 S N -0.896 114.674 115.700 -0.217 0.000 2.419 98 S HA -0.200 4.270 4.470 -0.000 0.000 0.235 98 S C 1.807 176.319 174.600 -0.147 0.000 1.019 98 S CA 1.603 59.688 58.200 -0.191 0.000 0.982 98 S CB -0.315 62.786 63.200 -0.164 0.000 0.789 98 S HN 0.636 nan 8.310 nan 0.000 0.490 99 E N 0.212 120.346 120.200 -0.110 0.000 2.122 99 E HA 0.082 4.432 4.350 -0.000 0.000 0.190 99 E C 1.851 178.468 176.600 0.027 0.000 0.977 99 E CA 0.758 57.133 56.400 -0.042 0.000 0.820 99 E CB -0.101 29.584 29.700 -0.025 0.000 0.770 99 E HN 0.508 nan 8.360 nan 0.000 0.462 100 L N 0.006 121.232 121.223 0.005 0.000 2.478 100 L HA -0.007 4.333 4.340 -0.000 0.000 0.223 100 L C 1.499 178.627 176.870 0.429 0.000 1.140 100 L CA 0.335 55.275 54.840 0.166 0.000 0.842 100 L CB 0.024 42.132 42.059 0.082 0.000 0.953 100 L HN 0.108 nan 8.230 nan 0.000 0.452 101 F N -1.014 118.935 119.950 -0.002 0.000 2.712 101 F HA 0.144 4.671 4.527 -0.000 0.000 0.297 101 F C 1.653 177.325 175.800 -0.213 0.000 1.114 101 F CA -0.572 57.336 58.000 -0.153 0.000 1.305 101 F CB -0.584 38.249 39.000 -0.279 0.000 1.086 101 F HN -0.211 nan 8.300 nan 0.000 0.599 102 T N 3.074 117.622 114.554 -0.010 0.000 2.849 102 T HA -0.109 4.241 4.350 -0.000 0.000 0.289 102 T C 1.306 175.997 174.700 -0.014 0.000 1.010 102 T CA 0.432 62.455 62.100 -0.129 0.000 1.161 102 T CB 0.058 68.859 68.868 -0.111 0.000 0.989 102 T HN 0.417 nan 8.240 nan 0.000 0.523 103 N N 4.813 123.447 118.700 -0.110 0.000 2.236 103 N HA 0.008 4.748 4.740 -0.000 0.000 0.196 103 N C 0.614 176.039 175.510 -0.141 0.000 1.114 103 N CA -0.369 52.637 53.050 -0.073 0.000 0.859 103 N CB 0.122 38.590 38.487 -0.033 0.000 0.982 103 N HN 0.743 nan 8.380 nan 0.000 0.493 104 R N 0.992 121.426 120.500 -0.110 0.000 2.531 104 R HA 0.288 4.628 4.340 -0.000 0.000 0.260 104 R C 1.114 177.373 176.300 -0.068 0.000 1.144 104 R CA -0.728 55.332 56.100 -0.067 0.000 1.171 104 R CB 0.916 31.198 30.300 -0.030 0.000 1.199 104 R HN -0.076 nan 8.270 nan 0.000 0.594 105 K N 0.711 121.095 120.400 -0.026 0.000 1.983 105 K HA -0.167 4.153 4.320 -0.000 0.000 0.225 105 K C -0.026 176.565 176.600 -0.014 0.000 1.030 105 K CA 1.196 57.474 56.287 -0.014 0.000 1.027 105 K CB -0.648 31.860 32.500 0.014 0.000 0.757 105 K HN 0.762 nan 8.250 nan 0.000 0.444 106 E N 1.869 122.069 120.200 0.000 0.000 2.313 106 E HA 0.043 4.393 4.350 -0.000 0.000 0.276 106 E C -0.612 175.979 176.600 -0.015 0.000 1.031 106 E CA -0.639 55.760 56.400 -0.001 0.000 0.857 106 E CB 0.559 30.266 29.700 0.011 0.000 1.040 106 E HN 0.340 nan 8.360 nan 0.000 0.408 107 N N 2.647 121.333 118.700 -0.023 0.000 2.344 107 N HA -0.053 4.687 4.740 -0.000 0.000 0.236 107 N C -0.575 174.905 175.510 -0.049 0.000 1.279 107 N CA -0.180 52.843 53.050 -0.045 0.000 0.882 107 N CB 0.441 38.905 38.487 -0.038 0.000 1.110 107 N HN 0.431 nan 8.380 nan 0.000 0.436 108 I N 3.962 124.477 120.570 -0.091 0.000 2.405 108 I HA 0.278 4.448 4.170 -0.000 0.000 0.280 108 I C -2.017 174.041 176.117 -0.098 0.000 1.027 108 I CA -2.085 59.156 61.300 -0.099 0.000 1.161 108 I CB 0.674 38.534 38.000 -0.233 0.000 1.300 108 I HN 0.479 nan 8.210 nan 0.000 0.463 109 P HA 0.375 nan 4.420 nan 0.000 0.271 109 P C -0.829 176.443 177.300 -0.046 0.000 1.216 109 P CA -0.084 62.988 63.100 -0.048 0.000 0.776 109 P CB 1.631 33.315 31.700 -0.028 0.000 0.881 110 L N 1.542 122.730 121.223 -0.058 0.000 2.322 110 L HA 0.563 4.903 4.340 -0.000 0.000 0.252 110 L C 0.288 177.125 176.870 -0.055 0.000 1.055 110 L CA -1.247 53.560 54.840 -0.055 0.000 0.849 110 L CB 1.611 43.622 42.059 -0.079 0.000 1.446 110 L HN 0.175 nan 8.230 nan 0.000 0.416 111 K N 0.326 120.692 120.400 -0.057 0.000 2.185 111 K HA 0.762 5.082 4.320 -0.000 0.000 0.240 111 K C -1.148 175.403 176.600 -0.080 0.000 0.983 111 K CA -0.359 55.890 56.287 -0.063 0.000 0.873 111 K CB 1.501 33.966 32.500 -0.059 0.000 1.118 111 K HN 0.303 nan 8.250 nan 0.000 0.441 112 L N 0.075 121.244 121.223 -0.091 0.000 2.313 112 L HA 0.715 5.055 4.340 -0.000 0.000 0.268 112 L C -0.440 176.346 176.870 -0.141 0.000 1.010 112 L CA -0.732 54.032 54.840 -0.126 0.000 0.814 112 L CB 1.974 43.953 42.059 -0.133 0.000 1.304 112 L HN 0.669 nan 8.230 nan 0.000 0.441 113 S N -0.548 115.034 115.700 -0.196 0.000 2.669 113 S HA 0.089 4.558 4.470 -0.000 0.000 0.304 113 S C 0.091 174.524 174.600 -0.278 0.000 1.021 113 S CA -0.642 57.439 58.200 -0.199 0.000 0.854 113 S CB 1.066 64.196 63.200 -0.116 0.000 1.048 113 S HN 0.782 nan 8.310 nan 0.000 0.452 114 E N 1.310 121.307 120.200 -0.338 0.000 2.219 114 E HA -0.161 4.189 4.350 -0.000 0.000 0.198 114 E C 0.032 176.477 176.600 -0.257 0.000 0.998 114 E CA 1.181 57.332 56.400 -0.415 0.000 0.818 114 E CB -0.028 29.470 29.700 -0.337 0.000 0.741 114 E HN 0.608 nan 8.360 nan 0.000 0.477 115 D N 0.127 120.433 120.400 -0.157 0.000 2.402 115 D HA -0.007 4.633 4.640 -0.000 0.000 0.235 115 D C -0.053 176.275 176.300 0.048 0.000 1.226 115 D CA -0.294 53.664 54.000 -0.070 0.000 0.918 115 D CB 0.082 40.880 40.800 -0.004 0.000 1.043 115 D HN 0.126 nan 8.370 nan 0.000 0.506 116 c N 2.919 121.506 118.600 -0.022 0.000 3.692 116 c HA 0.336 4.906 4.570 -0.000 0.000 0.277 116 c C 0.552 174.649 174.090 0.012 0.000 2.095 116 c CA -0.725 55.672 56.329 0.113 0.000 1.666 116 c CB -1.321 41.187 42.510 -0.002 0.000 3.354 116 c HN 0.498 nan 8.230 nan 0.000 0.474 117 L N 2.325 123.327 121.223 -0.368 0.000 2.391 117 L HA 0.369 4.709 4.340 -0.000 0.000 0.249 117 L C -0.851 175.594 176.870 -0.708 0.000 1.308 117 L CA 0.565 55.065 54.840 -0.567 0.000 1.209 117 L CB -0.784 40.727 42.059 -0.914 0.000 1.401 117 L HN 0.419 nan 8.230 nan 0.000 0.416 118 Y N 1.381 121.781 120.300 0.167 0.000 2.536 118 Y HA 0.639 5.188 4.550 -0.000 0.000 0.347 118 Y C -0.064 176.001 175.900 0.274 0.000 1.000 118 Y CA -1.249 56.976 58.100 0.208 0.000 1.051 118 Y CB 2.050 40.545 38.460 0.060 0.000 1.259 118 Y HN 0.154 nan 8.280 nan 0.000 0.468 119 L N 0.042 121.417 121.223 0.252 0.000 2.354 119 L HA 0.751 5.091 4.340 -0.000 0.000 0.264 119 L C -1.237 175.676 176.870 0.071 0.000 1.008 119 L CA -1.055 53.833 54.840 0.080 0.000 0.819 119 L CB 1.690 43.638 42.059 -0.185 0.000 1.339 119 L HN 0.401 nan 8.230 nan 0.000 0.420 120 N N 2.082 120.864 118.700 0.137 0.000 2.405 120 N HA 0.665 5.405 4.740 -0.000 0.000 0.299 120 N C -1.101 174.461 175.510 0.088 0.000 1.075 120 N CA -0.202 52.919 53.050 0.117 0.000 0.884 120 N CB 2.447 41.083 38.487 0.248 0.000 1.194 120 N HN 0.661 nan 8.380 nan 0.000 0.491 121 I N 1.809 122.342 120.570 -0.061 0.000 2.530 121 I HA 0.326 4.496 4.170 -0.000 0.000 0.297 121 I C -1.079 174.957 176.117 -0.134 0.000 1.011 121 I CA -0.773 60.508 61.300 -0.032 0.000 1.107 121 I CB 1.265 39.099 38.000 -0.276 0.000 1.285 121 I HN 0.339 nan 8.210 nan 0.000 0.436 122 Y N 3.164 123.576 120.300 0.185 0.000 2.363 122 Y HA 0.390 4.940 4.550 -0.000 0.000 0.325 122 Y C 0.160 176.179 175.900 0.198 0.000 0.984 122 Y CA -0.695 57.526 58.100 0.203 0.000 1.248 122 Y CB 2.051 40.615 38.460 0.174 0.000 1.116 122 Y HN 0.339 nan 8.280 nan 0.000 0.470 123 T N 4.890 119.652 114.554 0.347 0.000 2.841 123 T HA 0.383 4.733 4.350 -0.000 0.000 0.285 123 T C -2.427 172.438 174.700 0.276 0.000 0.991 123 T CA -2.317 59.966 62.100 0.305 0.000 0.966 123 T CB 1.549 70.628 68.868 0.352 0.000 0.962 123 T HN 0.361 nan 8.240 nan 0.000 0.438 124 P HA 0.302 nan 4.420 nan 0.000 0.262 124 P C 0.390 177.792 177.300 0.169 0.000 1.304 124 P CA -0.189 63.012 63.100 0.169 0.000 0.859 124 P CB 0.022 31.784 31.700 0.102 0.000 1.310 125 A N 1.000 123.933 122.820 0.189 0.000 2.448 125 A HA 0.092 4.412 4.320 -0.000 0.000 0.239 125 A C 0.205 177.898 177.584 0.181 0.000 1.080 125 A CA 0.126 52.263 52.037 0.165 0.000 0.779 125 A CB -0.347 18.753 19.000 0.167 0.000 1.026 125 A HN -0.024 nan 8.150 nan 0.000 0.499 126 D N 1.517 122.001 120.400 0.140 0.000 2.564 126 D HA 0.331 4.971 4.640 -0.000 0.000 0.226 126 D C 1.139 177.520 176.300 0.135 0.000 1.149 126 D CA -0.193 53.890 54.000 0.138 0.000 0.994 126 D CB -0.537 40.317 40.800 0.089 0.000 1.029 126 D HN 0.432 nan 8.370 nan 0.000 0.517 127 L N 1.429 122.755 121.223 0.172 0.000 2.302 127 L HA -0.311 4.029 4.340 -0.000 0.000 0.218 127 L C 2.391 179.311 176.870 0.082 0.000 1.100 127 L CA 1.800 56.715 54.840 0.124 0.000 0.774 127 L CB -1.209 40.933 42.059 0.138 0.000 0.896 127 L HN 0.461 nan 8.230 nan 0.000 0.439 128 T N -3.306 111.305 114.554 0.096 0.000 2.881 128 T HA -0.096 4.253 4.350 -0.000 0.000 0.270 128 T C 0.867 175.594 174.700 0.045 0.000 1.068 128 T CA 0.843 62.983 62.100 0.067 0.000 1.131 128 T CB -0.056 68.854 68.868 0.071 0.000 0.871 128 T HN 0.332 nan 8.240 nan 0.000 0.479 129 K N 0.641 121.070 120.400 0.048 0.000 2.350 129 K HA 0.466 4.786 4.320 -0.000 0.000 0.241 129 K C -0.721 175.898 176.600 0.032 0.000 0.994 129 K CA -1.049 55.259 56.287 0.034 0.000 0.839 129 K CB 1.931 34.452 32.500 0.034 0.000 1.244 129 K HN 0.027 nan 8.250 nan 0.000 0.443 130 K N 2.154 122.567 120.400 0.022 0.000 2.436 130 K HA 0.020 4.340 4.320 -0.000 0.000 0.282 130 K C -0.841 175.776 176.600 0.028 0.000 1.044 130 K CA 0.338 56.636 56.287 0.018 0.000 1.028 130 K CB 0.232 32.738 32.500 0.009 0.000 0.919 130 K HN 0.456 nan 8.250 nan 0.000 0.474 131 N N 4.234 122.955 118.700 0.036 0.000 2.295 131 N HA 0.210 4.950 4.740 -0.000 0.000 0.293 131 N C -1.027 174.510 175.510 0.045 0.000 1.040 131 N CA -0.734 52.344 53.050 0.046 0.000 0.840 131 N CB 1.854 40.382 38.487 0.069 0.000 1.468 131 N HN 0.413 nan 8.380 nan 0.000 0.478 132 R N 1.412 121.934 120.500 0.036 0.000 3.335 132 R HA 0.401 4.740 4.340 -0.000 0.000 0.337 132 R C -0.086 176.236 176.300 0.037 0.000 1.283 132 R CA -0.304 55.814 56.100 0.031 0.000 1.246 132 R CB -0.191 30.116 30.300 0.012 0.000 1.464 132 R HN 0.459 nan 8.270 nan 0.000 0.607 133 L N 2.610 123.867 121.223 0.056 0.000 2.483 133 L HA 0.186 4.526 4.340 -0.000 0.000 0.276 133 L C -1.572 175.333 176.870 0.060 0.000 1.213 133 L CA -1.425 53.451 54.840 0.061 0.000 0.843 133 L CB 0.424 42.533 42.059 0.084 0.000 1.107 133 L HN 0.105 nan 8.230 nan 0.000 0.487 134 P HA 0.060 nan 4.420 nan 0.000 0.269 134 P C -1.005 176.341 177.300 0.077 0.000 1.215 134 P CA -0.160 62.969 63.100 0.047 0.000 0.780 134 P CB 1.087 32.801 31.700 0.023 0.000 0.898 135 V N 3.583 123.554 119.914 0.095 0.000 2.555 135 V HA 0.415 4.535 4.120 -0.000 0.000 0.302 135 V C 0.451 176.635 176.094 0.149 0.000 1.038 135 V CA -0.496 61.883 62.300 0.131 0.000 0.887 135 V CB 1.505 33.413 31.823 0.142 0.000 0.991 135 V HN 0.498 nan 8.190 nan 0.000 0.434 136 M N 4.325 124.042 119.600 0.194 0.000 2.085 136 M HA 0.461 4.941 4.480 -0.000 0.000 0.309 136 M C -1.061 175.559 176.300 0.533 0.000 0.947 136 M CA -0.563 54.897 55.300 0.267 0.000 0.918 136 M CB 1.923 34.562 32.600 0.064 0.000 1.504 136 M HN 0.377 nan 8.290 nan 0.000 0.420 137 V N 3.858 124.070 119.914 0.498 0.000 2.385 137 V HA 0.212 4.332 4.120 -0.000 0.000 0.269 137 V C -0.600 175.723 176.094 0.382 0.000 1.043 137 V CA -0.381 62.145 62.300 0.377 0.000 0.906 137 V CB 0.719 32.654 31.823 0.186 0.000 0.995 137 V HN 0.824 nan 8.190 nan 0.000 0.467 138 W N 7.352 128.636 121.300 -0.027 0.000 2.335 138 W HA 0.554 5.214 4.660 -0.000 0.000 0.307 138 W C -1.159 175.175 176.519 -0.310 0.000 1.117 138 W CA -0.926 56.112 57.345 -0.511 0.000 1.228 138 W CB 1.189 30.354 29.460 -0.493 0.000 1.240 138 W HN 0.423 nan 8.180 nan 0.000 0.468 139 I N 8.369 128.289 120.570 -1.085 0.000 2.330 139 I HA 0.038 4.208 4.170 -0.000 0.000 0.286 139 I C 1.359 176.689 176.117 -1.312 0.000 1.025 139 I CA -0.684 60.055 61.300 -0.935 0.000 1.197 139 I CB 0.572 38.158 38.000 -0.690 0.000 1.358 139 I HN 0.473 nan 8.210 nan 0.000 0.467 140 H N 5.406 123.998 119.070 -0.796 0.000 2.385 140 H HA 0.484 5.040 4.556 -0.000 0.000 0.377 140 H C -0.015 175.241 175.328 -0.121 0.000 1.985 140 H CA -0.089 55.657 56.048 -0.504 0.000 1.423 140 H CB 0.716 30.506 29.762 0.047 0.000 1.590 140 H HN 0.585 nan 8.280 nan 0.000 0.547 141 G N -3.794 105.260 108.800 0.422 0.000 2.682 141 G HA2 0.466 4.426 3.960 -0.000 0.000 0.303 141 G HA3 0.466 4.426 3.960 -0.000 0.000 0.303 141 G C -0.187 174.984 174.900 0.452 0.000 1.341 141 G CA -0.420 44.909 45.100 0.380 0.000 0.784 141 G HN 1.198 nan 8.290 nan 0.000 0.497 142 G N -2.210 106.786 108.800 0.327 0.000 2.321 142 G HA2 0.462 4.422 3.960 -0.000 0.000 0.219 142 G HA3 0.462 4.422 3.960 -0.000 0.000 0.219 142 G C 1.092 176.089 174.900 0.160 0.000 1.057 142 G CA 1.109 46.347 45.100 0.230 0.000 0.849 142 G HN 2.539 nan 8.290 nan 0.000 0.520 143 G N -0.139 108.751 108.800 0.151 0.000 2.148 143 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.254 143 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.254 143 G C 1.020 175.917 174.900 -0.004 0.000 0.981 143 G CA 0.418 45.557 45.100 0.065 0.000 0.670 143 G HN 1.730 nan 8.290 nan 0.000 0.528 144 L N -2.834 118.425 121.223 0.060 0.000 4.291 144 L HA -0.241 4.099 4.340 -0.000 0.000 0.413 144 L C 1.860 178.782 176.870 0.087 0.000 1.162 144 L CA 1.464 56.331 54.840 0.045 0.000 0.961 144 L CB -1.453 40.354 42.059 -0.421 0.000 2.095 144 L HN 0.448 nan 8.230 nan 0.000 0.838 145 M N -1.599 118.049 119.600 0.080 0.000 2.447 145 M HA 0.309 4.789 4.480 -0.000 0.000 0.255 145 M C 0.770 177.118 176.300 0.080 0.000 1.289 145 M CA 1.133 56.473 55.300 0.067 0.000 1.128 145 M CB 0.775 33.392 32.600 0.029 0.000 1.540 145 M HN 0.223 nan 8.290 nan 0.000 0.557 146 V N -2.531 117.422 119.914 0.065 0.000 3.105 146 V HA 1.042 5.162 4.120 -0.000 0.000 0.311 146 V C -0.320 175.764 176.094 -0.016 0.000 1.287 146 V CA -0.286 62.022 62.300 0.012 0.000 1.066 146 V CB 1.179 33.001 31.823 -0.003 0.000 1.105 146 V HN 0.522 nan 8.190 nan 0.000 0.462 147 G N -0.708 108.019 108.800 -0.122 0.000 2.770 147 G HA2 0.550 4.509 3.960 -0.000 0.000 0.686 147 G HA3 0.550 4.509 3.960 -0.000 0.000 0.686 147 G C -0.619 173.906 174.900 -0.625 0.000 1.180 147 G CA -0.062 44.870 45.100 -0.278 0.000 0.767 147 G HN 2.461 nan 8.290 nan 0.000 0.646 148 A N 0.651 123.156 122.820 -0.524 0.000 2.435 148 A HA 1.050 5.370 4.320 -0.000 0.000 0.304 148 A C 0.974 178.491 177.584 -0.111 0.000 1.064 148 A CA 0.342 52.157 52.037 -0.370 0.000 0.727 148 A CB 1.575 20.467 19.000 -0.180 0.000 1.284 148 A HN 2.543 nan 8.150 nan 0.000 0.415 149 A N 0.603 123.480 122.820 0.095 0.000 2.066 149 A HA 0.082 4.402 4.320 -0.000 0.000 0.218 149 A C 1.857 179.622 177.584 0.302 0.000 1.157 149 A CA 2.047 54.293 52.037 0.349 0.000 0.670 149 A CB -0.444 18.772 19.000 0.360 0.000 0.804 149 A HN 0.842 nan 8.150 nan 0.000 0.453 150 S N -0.656 115.114 115.700 0.116 0.000 2.555 150 S HA -0.058 4.412 4.470 -0.000 0.000 0.230 150 S C 1.766 176.257 174.600 -0.181 0.000 0.978 150 S CA 1.178 59.353 58.200 -0.042 0.000 0.934 150 S CB -0.296 62.757 63.200 -0.244 0.000 0.766 150 S HN 0.664 nan 8.310 nan 0.000 0.533 151 T N 1.015 115.503 114.554 -0.110 0.000 2.821 151 T HA -0.001 4.349 4.350 -0.000 0.000 0.267 151 T C -0.159 174.283 174.700 -0.430 0.000 1.046 151 T CA 0.951 62.864 62.100 -0.311 0.000 1.139 151 T CB -0.154 68.474 68.868 -0.400 0.000 0.871 151 T HN 0.354 nan 8.240 nan 0.000 0.454 152 Y N 1.995 122.186 120.300 -0.182 0.000 2.350 152 Y HA 0.449 4.999 4.550 -0.000 0.000 0.340 152 Y C 0.151 175.867 175.900 -0.307 0.000 1.006 152 Y CA -2.166 55.670 58.100 -0.441 0.000 1.166 152 Y CB 0.305 38.234 38.460 -0.884 0.000 1.168 152 Y HN -0.073 nan 8.280 nan 0.000 0.502 153 D N 1.934 122.225 120.400 -0.182 0.000 2.225 153 D HA 0.249 4.889 4.640 -0.000 0.000 0.248 153 D C 0.855 176.957 176.300 -0.330 0.000 1.096 153 D CA -0.239 53.668 54.000 -0.155 0.000 0.863 153 D CB 1.723 42.505 40.800 -0.030 0.000 1.156 153 D HN 0.820 nan 8.370 nan 0.000 0.450 154 G N 2.976 111.137 108.800 -1.064 0.000 3.088 154 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.217 154 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.217 154 G C 1.298 175.971 174.900 -0.378 0.000 1.159 154 G CA -0.111 44.501 45.100 -0.812 0.000 0.760 154 G HN 0.465 nan 8.290 nan 0.000 0.550 155 L N 1.927 123.040 121.223 -0.184 0.000 1.963 155 L HA -0.083 4.257 4.340 -0.000 0.000 0.220 155 L C 2.935 179.759 176.870 -0.077 0.000 1.076 155 L CA 2.556 57.410 54.840 0.024 0.000 0.772 155 L CB -0.941 41.165 42.059 0.079 0.000 0.892 155 L HN 0.232 nan 8.230 nan 0.000 0.435 156 A N -0.590 122.190 122.820 -0.067 0.000 1.849 156 A HA -0.300 4.020 4.320 -0.000 0.000 0.216 156 A C 2.260 179.771 177.584 -0.121 0.000 1.225 156 A CA 2.374 54.357 52.037 -0.091 0.000 0.653 156 A CB -1.533 17.469 19.000 0.004 0.000 0.844 156 A HN 0.560 nan 8.150 nan 0.000 0.453 157 L N -0.415 120.749 121.223 -0.099 0.000 2.151 157 L HA -0.205 4.135 4.340 -0.000 0.000 0.215 157 L C 2.516 179.346 176.870 -0.066 0.000 1.084 157 L CA 2.522 57.297 54.840 -0.110 0.000 0.764 157 L CB -0.671 41.273 42.059 -0.191 0.000 0.891 157 L HN 0.427 nan 8.230 nan 0.000 0.435 158 A N -1.223 121.567 122.820 -0.050 0.000 1.970 158 A HA 0.157 4.477 4.320 -0.000 0.000 0.216 158 A C 2.376 179.925 177.584 -0.058 0.000 1.170 158 A CA 1.274 53.318 52.037 0.012 0.000 0.645 158 A CB -0.795 18.276 19.000 0.117 0.000 0.816 158 A HN 0.550 nan 8.150 nan 0.000 0.447 159 A N -1.473 121.214 122.820 -0.222 0.000 1.878 159 A HA -0.036 4.284 4.320 -0.000 0.000 0.213 159 A C 2.097 179.379 177.584 -0.503 0.000 1.192 159 A CA 1.208 52.940 52.037 -0.509 0.000 0.619 159 A CB -0.791 17.588 19.000 -1.034 0.000 0.837 159 A HN 0.574 nan 8.150 nan 0.000 0.446 160 H N -0.119 118.712 119.070 -0.399 0.000 2.326 160 H HA -0.015 4.541 4.556 -0.000 0.000 0.301 160 H C 0.805 176.130 175.328 -0.006 0.000 1.081 160 H CA 1.607 57.576 56.048 -0.131 0.000 1.334 160 H CB 0.227 29.837 29.762 -0.254 0.000 1.385 160 H HN 0.402 nan 8.280 nan 0.000 0.504 161 E N 0.464 120.710 120.200 0.077 0.000 2.501 161 E HA 0.037 4.386 4.350 -0.000 0.000 0.200 161 E C -0.242 176.389 176.600 0.053 0.000 1.016 161 E CA -0.358 56.080 56.400 0.064 0.000 0.921 161 E CB -0.214 29.510 29.700 0.040 0.000 1.034 161 E HN 0.342 nan 8.360 nan 0.000 0.468 162 N N 1.012 119.743 118.700 0.051 0.000 2.629 162 N HA -0.162 4.577 4.740 -0.000 0.000 0.278 162 N C -0.688 174.858 175.510 0.060 0.000 1.102 162 N CA 0.835 53.921 53.050 0.060 0.000 0.759 162 N CB -0.675 37.853 38.487 0.068 0.000 0.911 162 N HN 0.032 nan 8.380 nan 0.000 0.553 163 V N -2.234 117.719 119.914 0.064 0.000 2.971 163 V HA 0.588 4.708 4.120 -0.000 0.000 0.309 163 V C 0.281 176.444 176.094 0.114 0.000 1.130 163 V CA -1.002 61.343 62.300 0.075 0.000 0.964 163 V CB 2.229 34.081 31.823 0.048 0.000 1.029 163 V HN -0.104 nan 8.190 nan 0.000 0.427 164 V N 3.776 123.772 119.914 0.136 0.000 2.389 164 V HA 0.297 4.417 4.120 -0.000 0.000 0.264 164 V C 0.328 176.549 176.094 0.212 0.000 1.049 164 V CA -0.129 62.279 62.300 0.180 0.000 0.932 164 V CB 0.959 32.882 31.823 0.166 0.000 1.011 164 V HN 0.718 nan 8.190 nan 0.000 0.475 165 V N 6.356 126.432 119.914 0.270 0.000 2.509 165 V HA 0.426 4.546 4.120 -0.000 0.000 0.284 165 V C -0.016 176.327 176.094 0.416 0.000 1.047 165 V CA -0.321 62.174 62.300 0.326 0.000 0.952 165 V CB 1.811 33.784 31.823 0.250 0.000 0.988 165 V HN 0.615 nan 8.190 nan 0.000 0.469 166 V N 3.588 123.742 119.914 0.399 0.000 2.447 166 V HA 0.406 4.526 4.120 -0.000 0.000 0.292 166 V C 0.068 176.371 176.094 0.350 0.000 1.021 166 V CA -0.626 61.877 62.300 0.339 0.000 0.850 166 V CB 1.824 33.784 31.823 0.228 0.000 1.005 166 V HN 0.968 nan 8.190 nan 0.000 0.426 167 T N 3.650 118.431 114.554 0.380 0.000 2.744 167 T HA 0.791 5.141 4.350 -0.000 0.000 0.291 167 T C -0.253 174.589 174.700 0.237 0.000 0.957 167 T CA -0.431 61.893 62.100 0.374 0.000 1.002 167 T CB 1.001 70.145 68.868 0.460 0.000 0.919 167 T HN 0.662 nan 8.240 nan 0.000 0.468 168 I N 0.378 121.041 120.570 0.155 0.000 2.947 168 I HA 0.673 4.843 4.170 -0.000 0.000 0.314 168 I C -0.432 175.833 176.117 0.246 0.000 1.028 168 I CA -1.302 60.044 61.300 0.076 0.000 1.077 168 I CB 1.770 39.705 38.000 -0.108 0.000 1.274 168 I HN 0.529 nan 8.210 nan 0.000 0.485 169 Q N 1.506 121.502 119.800 0.327 0.000 2.458 169 Q HA 0.567 4.907 4.340 -0.000 0.000 0.282 169 Q C -1.940 174.344 176.000 0.473 0.000 1.106 169 Q CA -0.822 55.227 55.803 0.410 0.000 0.814 169 Q CB 3.000 31.925 28.738 0.312 0.000 1.425 169 Q HN 0.740 nan 8.270 nan 0.000 0.437 170 Y N -2.642 117.801 120.300 0.238 0.000 2.581 170 Y HA 0.527 5.077 4.550 -0.000 0.000 0.337 170 Y C -0.888 175.097 175.900 0.141 0.000 1.108 170 Y CA -1.373 56.827 58.100 0.167 0.000 1.033 170 Y CB 0.761 39.282 38.460 0.102 0.000 1.318 170 Y HN 0.424 nan 8.280 nan 0.000 0.459 171 R N 1.966 122.530 120.500 0.106 0.000 2.698 171 R HA 0.482 4.822 4.340 -0.000 0.000 0.266 171 R C -0.906 175.454 176.300 0.099 0.000 1.026 171 R CA 0.082 56.206 56.100 0.038 0.000 1.102 171 R CB 0.280 30.609 30.300 0.050 0.000 0.978 171 R HN 0.735 nan 8.270 nan 0.000 0.436 172 L N 0.199 121.524 121.223 0.170 0.000 2.183 172 L HA 0.550 4.890 4.340 -0.000 0.000 0.253 172 L C 1.101 178.228 176.870 0.429 0.000 1.048 172 L CA -0.648 54.399 54.840 0.345 0.000 0.890 172 L CB 1.038 43.213 42.059 0.193 0.000 1.476 172 L HN 0.844 nan 8.230 nan 0.000 0.455 173 G N 0.139 109.159 108.800 0.365 0.000 2.578 173 G HA2 -0.337 3.622 3.960 -0.000 0.000 0.313 173 G HA3 -0.337 3.622 3.960 -0.000 0.000 0.313 173 G C 0.753 175.798 174.900 0.240 0.000 1.324 173 G CA 0.792 46.004 45.100 0.187 0.000 0.955 173 G HN 0.611 nan 8.290 nan 0.000 0.541 174 I N -0.417 120.187 120.570 0.056 0.000 2.113 174 I HA -0.224 3.946 4.170 -0.000 0.000 0.242 174 I C 2.805 179.091 176.117 0.281 0.000 1.064 174 I CA 2.645 63.982 61.300 0.060 0.000 1.320 174 I CB -0.387 37.421 38.000 -0.319 0.000 1.028 174 I HN 0.580 nan 8.210 nan 0.000 0.406 175 W N 0.258 121.686 121.300 0.214 0.000 2.325 175 W HA -0.162 4.498 4.660 -0.000 0.000 0.299 175 W C 2.361 178.948 176.519 0.114 0.000 1.215 175 W CA 1.498 58.869 57.345 0.044 0.000 1.244 175 W CB -1.235 28.171 29.460 -0.089 0.000 1.140 175 W HN 0.310 nan 8.180 nan 0.000 0.523 176 G N -2.636 106.356 108.800 0.319 0.000 2.833 176 G HA2 0.070 4.030 3.960 -0.000 0.000 0.210 176 G HA3 0.070 4.030 3.960 -0.000 0.000 0.210 176 G C 0.545 175.085 174.900 -0.600 0.000 1.139 176 G CA -0.007 45.045 45.100 -0.080 0.000 0.771 176 G HN 0.111 nan 8.290 nan 0.000 0.535 177 F N -0.446 119.719 119.950 0.359 0.000 2.815 177 F HA 0.417 4.944 4.527 -0.000 0.000 0.323 177 F C -0.138 175.761 175.800 0.165 0.000 1.151 177 F CA -1.643 56.444 58.000 0.145 0.000 1.191 177 F CB 0.367 39.374 39.000 0.011 0.000 1.069 177 F HN 0.007 nan 8.300 nan 0.000 0.514 178 F N 1.942 122.077 119.950 0.308 0.000 2.445 178 F HA 0.536 5.063 4.527 -0.000 0.000 0.359 178 F C 0.265 176.121 175.800 0.094 0.000 1.101 178 F CA -0.171 57.914 58.000 0.142 0.000 1.177 178 F CB 0.539 39.539 39.000 -0.001 0.000 1.110 178 F HN -0.075 nan 8.300 nan 0.000 0.522 179 S N 3.259 118.532 115.700 -0.712 0.000 2.570 179 S HA 0.457 4.927 4.470 -0.000 0.000 0.286 179 S C 0.414 174.564 174.600 -0.749 0.000 1.099 179 S CA -0.015 57.834 58.200 -0.585 0.000 0.913 179 S CB 1.589 64.600 63.200 -0.316 0.000 1.085 179 S HN 0.791 nan 8.310 nan 0.000 0.480 180 T N 0.047 114.336 114.554 -0.442 0.000 3.001 180 T HA 0.439 4.789 4.350 -0.000 0.000 0.251 180 T C 1.430 176.043 174.700 -0.146 0.000 1.040 180 T CA 0.676 62.611 62.100 -0.274 0.000 0.985 180 T CB 0.148 68.963 68.868 -0.089 0.000 1.011 180 T HN 1.746 nan 8.240 nan 0.000 0.509 181 G N 1.919 110.633 108.800 -0.142 0.000 2.213 181 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.236 181 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.236 181 G C -0.315 174.539 174.900 -0.077 0.000 0.991 181 G CA 0.146 45.186 45.100 -0.101 0.000 0.629 181 G HN 0.765 nan 8.290 nan 0.000 0.517 182 D N -0.199 120.166 120.400 -0.057 0.000 2.636 182 D HA 0.394 5.034 4.640 -0.000 0.000 0.275 182 D C 1.201 177.432 176.300 -0.115 0.000 1.130 182 D CA -0.079 53.868 54.000 -0.088 0.000 1.031 182 D CB 0.255 41.002 40.800 -0.088 0.000 1.451 182 D HN 0.117 nan 8.370 nan 0.000 0.505 183 E N 0.521 120.596 120.200 -0.208 0.000 2.339 183 E HA -0.271 4.079 4.350 -0.000 0.000 0.201 183 E C 0.874 177.407 176.600 -0.111 0.000 1.015 183 E CA 1.524 57.818 56.400 -0.177 0.000 0.841 183 E CB -0.598 28.976 29.700 -0.211 0.000 0.754 183 E HN 0.457 nan 8.360 nan 0.000 0.508 184 H N 0.278 119.398 119.070 0.083 0.000 2.502 184 H HA 0.163 4.719 4.556 -0.000 0.000 0.283 184 H C 0.600 176.038 175.328 0.183 0.000 1.015 184 H CA 1.186 57.301 56.048 0.112 0.000 1.298 184 H CB 0.418 30.231 29.762 0.084 0.000 1.411 184 H HN 0.189 nan 8.280 nan 0.000 0.556 185 S N -0.167 115.696 115.700 0.273 0.000 2.835 185 S HA 0.186 4.656 4.470 -0.000 0.000 0.140 185 S C 0.822 175.515 174.600 0.154 0.000 1.131 185 S CA -0.602 57.829 58.200 0.385 0.000 1.110 185 S CB 0.018 63.423 63.200 0.341 0.000 1.683 185 S HN 0.177 nan 8.310 nan 0.000 0.473 186 R N 1.323 121.858 120.500 0.058 0.000 2.103 186 R HA 0.168 4.508 4.340 -0.000 0.000 0.242 186 R C 1.557 177.629 176.300 -0.380 0.000 1.142 186 R CA 1.297 57.305 56.100 -0.152 0.000 0.960 186 R CB -0.376 29.839 30.300 -0.143 0.000 0.858 186 R HN 0.848 nan 8.270 nan 0.000 0.439 187 G N -0.351 107.914 108.800 -0.892 0.000 2.500 187 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.209 187 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.209 187 G C -0.704 173.442 174.900 -1.256 0.000 1.283 187 G CA -0.373 43.998 45.100 -1.215 0.000 0.960 187 G HN 0.257 nan 8.290 nan 0.000 0.528 188 N N -0.940 117.369 118.700 -0.652 0.000 2.725 188 N HA -0.195 4.545 4.740 -0.000 0.000 0.249 188 N C 1.191 176.495 175.510 -0.345 0.000 1.103 188 N CA 1.900 54.791 53.050 -0.265 0.000 0.707 188 N CB -1.556 36.903 38.487 -0.047 0.000 1.043 188 N HN 0.682 nan 8.380 nan 0.000 0.553 189 W N 0.618 121.798 121.300 -0.200 0.000 2.315 189 W HA -0.147 4.513 4.660 -0.000 0.000 0.323 189 W C 2.564 178.947 176.519 -0.227 0.000 1.233 189 W CA 0.917 58.165 57.345 -0.162 0.000 1.267 189 W CB -0.806 28.585 29.460 -0.115 0.000 1.160 189 W HN 0.306 nan 8.180 nan 0.000 0.474 190 G N -0.454 108.105 108.800 -0.401 0.000 2.469 190 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.220 190 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.220 190 G C 1.199 176.131 174.900 0.054 0.000 1.136 190 G CA 1.502 46.488 45.100 -0.190 0.000 0.759 190 G HN 0.280 nan 8.290 nan 0.000 0.562 191 H N 0.310 119.413 119.070 0.055 0.000 2.357 191 H HA 0.108 4.664 4.556 -0.000 0.000 0.301 191 H C 2.693 178.047 175.328 0.043 0.000 1.082 191 H CA 0.735 56.815 56.048 0.053 0.000 1.342 191 H CB -0.433 29.375 29.762 0.077 0.000 1.389 191 H HN 0.274 nan 8.280 nan 0.000 0.511 192 L N 0.496 121.835 121.223 0.193 0.000 2.456 192 L HA -0.128 4.212 4.340 -0.000 0.000 0.224 192 L C 1.635 178.623 176.870 0.196 0.000 1.148 192 L CA 0.599 55.544 54.840 0.174 0.000 0.825 192 L CB -0.122 42.051 42.059 0.190 0.000 0.937 192 L HN 0.101 nan 8.230 nan 0.000 0.450 193 D N -0.144 120.385 120.400 0.215 0.000 2.162 193 D HA -0.118 4.522 4.640 -0.000 0.000 0.205 193 D C 2.267 178.761 176.300 0.323 0.000 0.964 193 D CA 0.927 55.101 54.000 0.291 0.000 0.847 193 D CB 0.022 41.000 40.800 0.298 0.000 0.988 193 D HN 0.356 nan 8.370 nan 0.000 0.480 194 Q N 0.207 120.113 119.800 0.176 0.000 2.167 194 Q HA -0.056 4.284 4.340 -0.000 0.000 0.202 194 Q C 2.252 178.273 176.000 0.036 0.000 0.970 194 Q CA 0.707 56.530 55.803 0.033 0.000 0.855 194 Q CB 0.086 28.752 28.738 -0.120 0.000 0.911 194 Q HN 0.118 nan 8.270 nan 0.000 0.438 195 V N 0.967 120.933 119.914 0.087 0.000 2.427 195 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 195 V C 2.245 178.422 176.094 0.139 0.000 1.051 195 V CA 1.739 64.093 62.300 0.090 0.000 1.048 195 V CB -0.916 30.966 31.823 0.099 0.000 0.666 195 V HN 0.420 nan 8.190 nan 0.000 0.456 196 A N 0.113 123.064 122.820 0.218 0.000 1.898 196 A HA -0.090 4.229 4.320 -0.000 0.000 0.216 196 A C 2.452 180.232 177.584 0.327 0.000 1.181 196 A CA 1.938 54.159 52.037 0.307 0.000 0.620 196 A CB -0.790 18.444 19.000 0.390 0.000 0.819 196 A HN 0.555 nan 8.150 nan 0.000 0.442 197 A N -0.097 122.798 122.820 0.126 0.000 1.917 197 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 197 A C 2.189 179.735 177.584 -0.063 0.000 1.182 197 A CA 1.627 53.372 52.037 -0.487 0.000 0.633 197 A CB -0.622 17.890 19.000 -0.813 0.000 0.819 197 A HN 0.488 nan 8.150 nan 0.000 0.448 198 L N -1.343 119.891 121.223 0.020 0.000 1.994 198 L HA -0.197 4.142 4.340 -0.000 0.000 0.208 198 L C 2.882 179.828 176.870 0.127 0.000 1.071 198 L CA 1.665 56.551 54.840 0.076 0.000 0.745 198 L CB -0.600 41.499 42.059 0.066 0.000 0.892 198 L HN 0.383 nan 8.230 nan 0.000 0.431 199 R N -1.009 119.577 120.500 0.143 0.000 2.117 199 R HA -0.261 4.079 4.340 -0.000 0.000 0.243 199 R C 2.061 178.452 176.300 0.151 0.000 1.143 199 R CA 2.133 58.312 56.100 0.133 0.000 0.968 199 R CB -0.515 29.875 30.300 0.149 0.000 0.863 199 R HN 0.428 nan 8.270 nan 0.000 0.444 200 W N 0.765 122.098 121.300 0.056 0.000 2.355 200 W HA -0.201 4.458 4.660 -0.000 0.000 0.309 200 W C 1.910 178.445 176.519 0.027 0.000 1.206 200 W CA 1.324 58.704 57.345 0.059 0.000 1.284 200 W CB -0.384 29.133 29.460 0.095 0.000 1.145 200 W HN -0.236 nan 8.180 nan 0.000 0.502 201 V N 0.792 120.861 119.914 0.259 0.000 2.282 201 V HA -0.378 3.742 4.120 -0.000 0.000 0.249 201 V C 2.386 178.457 176.094 -0.038 0.000 1.057 201 V CA 2.282 64.650 62.300 0.114 0.000 1.032 201 V CB -1.109 30.813 31.823 0.166 0.000 0.645 201 V HN 0.281 nan 8.190 nan 0.000 0.447 202 Q N -0.912 118.886 119.800 -0.002 0.000 2.437 202 Q HA -0.151 4.189 4.340 -0.000 0.000 0.210 202 Q C 1.163 177.112 176.000 -0.085 0.000 0.972 202 Q CA 0.988 56.782 55.803 -0.015 0.000 0.903 202 Q CB 0.002 28.751 28.738 0.019 0.000 0.967 202 Q HN 0.693 nan 8.270 nan 0.000 0.486 203 D N -1.356 118.931 120.400 -0.187 0.000 2.469 203 D HA 0.107 4.747 4.640 -0.000 0.000 0.213 203 D C 0.743 176.817 176.300 -0.377 0.000 1.135 203 D CA 0.032 53.889 54.000 -0.238 0.000 0.834 203 D CB 0.620 41.292 40.800 -0.214 0.000 1.009 203 D HN 0.151 nan 8.370 nan 0.000 0.507 204 N N 0.210 118.586 118.700 -0.541 0.000 2.509 204 N HA 0.013 4.752 4.740 -0.000 0.000 0.254 204 N C 1.671 177.009 175.510 -0.287 0.000 1.064 204 N CA -0.186 52.492 53.050 -0.620 0.000 0.865 204 N CB 0.876 38.470 38.487 -1.488 0.000 1.659 204 N HN -0.068 nan 8.380 nan 0.000 0.495 205 I N 2.926 123.343 120.570 -0.256 0.000 2.358 205 I HA -0.315 3.855 4.170 -0.000 0.000 0.257 205 I C 2.088 178.281 176.117 0.127 0.000 1.123 205 I CA 1.077 62.396 61.300 0.032 0.000 1.393 205 I CB -0.212 37.805 38.000 0.029 0.000 1.073 205 I HN 0.174 nan 8.210 nan 0.000 0.437 206 A N -1.067 121.765 122.820 0.020 0.000 1.917 206 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 206 A C 2.254 179.849 177.584 0.018 0.000 1.182 206 A CA 2.157 54.202 52.037 0.013 0.000 0.633 206 A CB -0.996 17.982 19.000 -0.036 0.000 0.819 206 A HN 0.470 nan 8.150 nan 0.000 0.448 207 S N -1.310 114.376 115.700 -0.023 0.000 2.786 207 S HA 0.229 4.699 4.470 -0.000 0.000 0.223 207 S C -0.076 174.361 174.600 -0.271 0.000 0.956 207 S CA 0.160 58.266 58.200 -0.155 0.000 0.961 207 S CB -0.515 62.523 63.200 -0.270 0.000 0.784 207 S HN 0.489 nan 8.310 nan 0.000 0.519 208 F N 0.235 120.157 119.950 -0.047 0.000 2.815 208 F HA 0.367 4.894 4.527 -0.000 0.000 0.335 208 F C 1.416 177.242 175.800 0.044 0.000 1.179 208 F CA -0.316 57.674 58.000 -0.017 0.000 1.204 208 F CB 0.569 39.545 39.000 -0.040 0.000 1.050 208 F HN 0.213 nan 8.300 nan 0.000 0.510 209 G N 0.257 109.160 108.800 0.172 0.000 2.179 209 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.260 209 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.260 209 G C 0.656 175.631 174.900 0.125 0.000 0.977 209 G CA -0.113 45.069 45.100 0.138 0.000 0.641 209 G HN 0.765 nan 8.290 nan 0.000 0.533 210 G N -0.368 108.517 108.800 0.141 0.000 2.400 210 G HA2 0.496 4.456 3.960 -0.000 0.000 0.301 210 G HA3 0.496 4.456 3.960 -0.000 0.000 0.301 210 G C -0.353 174.590 174.900 0.072 0.000 1.154 210 G CA 0.090 45.255 45.100 0.110 0.000 0.852 210 G HN 0.562 nan 8.290 nan 0.000 0.511 211 N N 1.782 120.516 118.700 0.058 0.000 2.462 211 N HA 0.312 5.052 4.740 -0.000 0.000 0.242 211 N C -1.122 174.415 175.510 0.044 0.000 1.010 211 N CA -2.399 50.671 53.050 0.033 0.000 0.939 211 N CB 1.919 40.413 38.487 0.012 0.000 1.127 211 N HN 0.113 nan 8.380 nan 0.000 0.509 212 P HA -0.007 nan 4.420 nan 0.000 0.231 212 P C 0.850 178.216 177.300 0.111 0.000 1.158 212 P CA 0.642 63.783 63.100 0.067 0.000 0.763 212 P CB 0.105 31.821 31.700 0.026 0.000 0.805 213 G N -0.782 108.031 108.800 0.022 0.000 2.880 213 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.209 213 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.209 213 G C 0.546 175.217 174.900 -0.382 0.000 1.157 213 G CA 0.167 45.200 45.100 -0.110 0.000 0.779 213 G HN 0.372 nan 8.290 nan 0.000 0.539 214 S N 0.205 115.860 115.700 -0.074 0.000 2.293 214 S HA 0.497 4.967 4.470 -0.000 0.000 0.154 214 S C -0.779 173.930 174.600 0.181 0.000 1.602 214 S CA -0.493 57.699 58.200 -0.013 0.000 1.260 214 S CB 0.317 63.475 63.200 -0.069 0.000 1.270 214 S HN -0.018 nan 8.310 nan 0.000 0.416 215 V N 3.004 123.158 119.914 0.400 0.000 2.532 215 V HA 0.656 4.776 4.120 -0.000 0.000 0.295 215 V C 0.166 176.411 176.094 0.251 0.000 1.041 215 V CA -0.542 61.916 62.300 0.264 0.000 0.926 215 V CB 1.933 33.899 31.823 0.237 0.000 0.992 215 V HN 0.678 nan 8.190 nan 0.000 0.457 216 T N 5.294 119.972 114.554 0.207 0.000 2.847 216 T HA 0.571 4.921 4.350 -0.000 0.000 0.291 216 T C -0.302 174.556 174.700 0.263 0.000 0.998 216 T CA -0.216 62.011 62.100 0.210 0.000 0.967 216 T CB 0.926 69.861 68.868 0.112 0.000 0.954 216 T HN 0.637 nan 8.240 nan 0.000 0.441 217 I N 1.439 122.146 120.570 0.229 0.000 2.396 217 I HA 0.883 5.053 4.170 -0.000 0.000 0.292 217 I C -0.934 175.411 176.117 0.380 0.000 0.999 217 I CA -0.918 60.505 61.300 0.206 0.000 1.310 217 I CB 0.802 38.685 38.000 -0.196 0.000 1.404 217 I HN 0.513 nan 8.210 nan 0.000 0.496 218 F N 2.761 122.751 119.950 0.066 0.000 2.615 218 F HA 0.935 5.462 4.527 -0.000 0.000 0.312 218 F C -0.577 175.228 175.800 0.008 0.000 1.119 218 F CA -1.467 56.614 58.000 0.135 0.000 0.979 218 F CB 1.073 40.261 39.000 0.315 0.000 1.266 218 F HN 0.788 nan 8.300 nan 0.000 0.444 219 G N 1.629 110.318 108.800 -0.186 0.000 2.690 219 G HA2 0.515 4.475 3.960 -0.000 0.000 0.293 219 G HA3 0.515 4.475 3.960 -0.000 0.000 0.293 219 G C -2.156 172.547 174.900 -0.329 0.000 1.399 219 G CA -0.743 43.881 45.100 -0.793 0.000 0.890 219 G HN 0.791 nan 8.290 nan 0.000 0.485 220 E N 0.267 120.234 120.200 -0.388 0.000 2.267 220 E HA 0.586 4.936 4.350 -0.000 0.000 0.258 220 E C 1.101 177.701 176.600 0.001 0.000 1.074 220 E CA 0.302 56.695 56.400 -0.012 0.000 0.915 220 E CB 1.845 31.620 29.700 0.125 0.000 1.186 220 E HN 0.652 nan 8.360 nan 0.000 0.439 221 S N 0.909 116.671 115.700 0.104 0.000 3.908 221 S HA -0.398 4.072 4.470 -0.000 0.000 0.571 221 S C 1.473 176.199 174.600 0.211 0.000 2.185 221 S CA 2.255 60.658 58.200 0.340 0.000 4.153 221 S CB -1.426 62.076 63.200 0.502 0.000 0.611 221 S HN 0.819 nan 8.310 nan 0.000 0.771 222 A N 0.811 123.743 122.820 0.186 0.000 1.978 222 A HA 0.087 4.407 4.320 -0.000 0.000 0.220 222 A C 2.597 180.169 177.584 -0.019 0.000 1.170 222 A CA 2.513 54.594 52.037 0.073 0.000 0.636 222 A CB -1.756 17.286 19.000 0.070 0.000 0.810 222 A HN 1.638 nan 8.150 nan 0.000 0.448 223 G N -0.527 108.234 108.800 -0.065 0.000 2.440 223 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.218 223 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.218 223 G C 1.504 176.252 174.900 -0.255 0.000 1.154 223 G CA 1.341 46.276 45.100 -0.275 0.000 0.767 223 G HN 0.703 nan 8.290 nan 0.000 0.552 224 G N 0.464 109.187 108.800 -0.128 0.000 2.434 224 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.214 224 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.214 224 G C 1.542 176.414 174.900 -0.046 0.000 1.202 224 G CA 1.154 46.221 45.100 -0.056 0.000 0.788 224 G HN 0.431 nan 8.290 nan 0.000 0.539 225 E N 0.927 121.115 120.200 -0.020 0.000 2.169 225 E HA -0.203 4.147 4.350 -0.000 0.000 0.202 225 E C 2.507 179.048 176.600 -0.098 0.000 1.016 225 E CA 1.634 58.011 56.400 -0.039 0.000 0.817 225 E CB -0.374 29.306 29.700 -0.032 0.000 0.736 225 E HN 0.355 nan 8.360 nan 0.000 0.462 226 S N 0.028 115.654 115.700 -0.123 0.000 2.348 226 S HA -0.142 4.328 4.470 -0.000 0.000 0.221 226 S C 2.161 176.607 174.600 -0.255 0.000 1.033 226 S CA 1.290 59.373 58.200 -0.193 0.000 1.010 226 S CB -0.395 62.668 63.200 -0.227 0.000 0.891 226 S HN 0.180 nan 8.310 nan 0.000 0.442 227 V N 1.410 121.183 119.914 -0.234 0.000 2.282 227 V HA -0.216 3.904 4.120 -0.000 0.000 0.249 227 V C 2.609 178.556 176.094 -0.245 0.000 1.057 227 V CA 2.098 64.236 62.300 -0.270 0.000 1.032 227 V CB -0.905 30.822 31.823 -0.160 0.000 0.645 227 V HN 0.538 nan 8.190 nan 0.000 0.447 228 S N -0.578 115.046 115.700 -0.126 0.000 2.359 228 S HA -0.197 4.273 4.470 -0.000 0.000 0.224 228 S C 1.978 176.492 174.600 -0.143 0.000 1.035 228 S CA 1.977 60.126 58.200 -0.085 0.000 1.018 228 S CB -0.263 62.952 63.200 0.025 0.000 0.876 228 S HN 0.350 nan 8.310 nan 0.000 0.448 229 V N 2.444 122.245 119.914 -0.189 0.000 2.392 229 V HA -0.182 3.938 4.120 -0.000 0.000 0.249 229 V C 2.337 178.321 176.094 -0.183 0.000 1.059 229 V CA 1.864 64.026 62.300 -0.230 0.000 1.051 229 V CB -0.758 30.815 31.823 -0.417 0.000 0.658 229 V HN 0.476 nan 8.190 nan 0.000 0.455 230 L N -0.507 120.594 121.223 -0.202 0.000 1.994 230 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 230 L C 2.512 179.460 176.870 0.130 0.000 1.071 230 L CA 1.289 56.069 54.840 -0.100 0.000 0.745 230 L CB -0.968 40.906 42.059 -0.309 0.000 0.892 230 L HN 0.176 nan 8.230 nan 0.000 0.431 231 V N 0.497 120.487 119.914 0.126 0.000 2.527 231 V HA -0.296 3.824 4.120 -0.000 0.000 0.255 231 V C 2.302 178.537 176.094 0.235 0.000 1.081 231 V CA 1.752 64.236 62.300 0.306 0.000 1.092 231 V CB -0.476 31.295 31.823 -0.086 0.000 0.673 231 V HN 0.382 nan 8.190 nan 0.000 0.470 232 L N -1.003 120.239 121.223 0.031 0.000 2.354 232 L HA 0.129 4.469 4.340 -0.000 0.000 0.212 232 L C 1.410 178.243 176.870 -0.062 0.000 1.091 232 L CA 0.333 55.094 54.840 -0.131 0.000 0.828 232 L CB -0.119 41.847 42.059 -0.155 0.000 0.973 232 L HN 0.254 nan 8.230 nan 0.000 0.461 233 S N 0.193 115.919 115.700 0.044 0.000 2.528 233 S HA 0.178 4.648 4.470 -0.000 0.000 0.277 233 S C -1.600 173.107 174.600 0.180 0.000 1.297 233 S CA -1.289 56.951 58.200 0.067 0.000 1.052 233 S CB 1.197 64.409 63.200 0.021 0.000 0.917 233 S HN -0.113 nan 8.310 nan 0.000 0.492 234 P HA -0.034 nan 4.420 nan 0.000 0.217 234 P C 1.276 178.631 177.300 0.091 0.000 1.150 234 P CA 0.949 64.155 63.100 0.177 0.000 0.832 234 P CB 0.037 31.817 31.700 0.133 0.000 0.787 235 L N -1.155 120.112 121.223 0.074 0.000 2.187 235 L HA -0.163 4.177 4.340 -0.000 0.000 0.213 235 L C 2.321 179.233 176.870 0.070 0.000 1.100 235 L CA 1.375 56.249 54.840 0.057 0.000 0.765 235 L CB -1.115 40.979 42.059 0.057 0.000 0.904 235 L HN -0.023 nan 8.230 nan 0.000 0.437 236 A N -0.569 122.320 122.820 0.116 0.000 2.066 236 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 236 A C 1.169 178.821 177.584 0.112 0.000 1.157 236 A CA 0.364 52.521 52.037 0.199 0.000 0.670 236 A CB -0.230 18.977 19.000 0.345 0.000 0.804 236 A HN 0.223 nan 8.150 nan 0.000 0.453 237 K N 0.635 121.026 120.400 -0.015 0.000 2.591 237 K HA -0.086 4.234 4.320 -0.000 0.000 0.280 237 K C 0.048 176.497 176.600 -0.250 0.000 0.964 237 K CA 0.671 56.826 56.287 -0.220 0.000 1.014 237 K CB 0.042 32.378 32.500 -0.272 0.000 0.877 237 K HN 0.524 nan 8.250 nan 0.000 0.502 238 N N 0.344 118.811 118.700 -0.388 0.000 2.815 238 N HA -0.253 4.487 4.740 -0.000 0.000 0.247 238 N C 0.610 175.984 175.510 -0.227 0.000 1.030 238 N CA 1.082 53.955 53.050 -0.296 0.000 0.881 238 N CB -1.118 37.246 38.487 -0.203 0.000 1.134 238 N HN 0.510 nan 8.380 nan 0.000 0.582 239 L N -0.953 120.166 121.223 -0.173 0.000 2.354 239 L HA 0.179 4.519 4.340 -0.000 0.000 0.212 239 L C 0.599 177.491 176.870 0.038 0.000 1.091 239 L CA 0.543 55.390 54.840 0.012 0.000 0.828 239 L CB 0.031 42.197 42.059 0.178 0.000 0.973 239 L HN 0.175 nan 8.230 nan 0.000 0.461 240 F N -4.356 115.394 119.950 -0.334 0.000 2.643 240 F HA 0.470 4.997 4.527 -0.000 0.000 0.314 240 F C 0.477 175.929 175.800 -0.579 0.000 1.096 240 F CA -1.075 56.707 58.000 -0.364 0.000 0.953 240 F CB 0.719 39.651 39.000 -0.113 0.000 1.345 240 F HN -0.131 nan 8.300 nan 0.000 0.468 241 H N -0.228 118.890 119.070 0.080 0.000 3.233 241 H HA 0.432 4.988 4.556 -0.000 0.000 0.263 241 H C -0.495 174.837 175.328 0.008 0.000 1.168 241 H CA -0.113 55.914 56.048 -0.035 0.000 1.159 241 H CB 0.750 30.493 29.762 -0.031 0.000 1.593 241 H HN 0.500 nan 8.280 nan 0.000 0.580 242 R N 0.361 121.008 120.500 0.246 0.000 2.629 242 R HA 0.710 5.050 4.340 -0.000 0.000 0.266 242 R C -1.421 175.139 176.300 0.433 0.000 1.051 242 R CA -0.768 55.465 56.100 0.222 0.000 0.895 242 R CB 2.454 32.718 30.300 -0.060 0.000 1.246 242 R HN 0.083 nan 8.270 nan 0.000 0.459 243 A N 2.455 125.577 122.820 0.502 0.000 2.486 243 A HA 0.789 5.109 4.320 -0.000 0.000 0.300 243 A C -1.089 176.737 177.584 0.403 0.000 1.048 243 A CA -0.678 51.579 52.037 0.367 0.000 0.696 243 A CB 1.419 20.483 19.000 0.107 0.000 1.278 243 A HN 0.617 nan 8.150 nan 0.000 0.405 244 I N 1.378 122.102 120.570 0.257 0.000 2.478 244 I HA 0.342 4.512 4.170 -0.000 0.000 0.287 244 I C -0.292 175.949 176.117 0.208 0.000 1.042 244 I CA -0.226 61.138 61.300 0.106 0.000 1.067 244 I CB 2.388 40.377 38.000 -0.019 0.000 1.233 244 I HN 0.514 nan 8.210 nan 0.000 0.431 245 S N 5.449 121.234 115.700 0.142 0.000 2.566 245 S HA 0.348 4.818 4.470 -0.000 0.000 0.324 245 S C -0.574 174.069 174.600 0.072 0.000 1.081 245 S CA -0.644 57.624 58.200 0.113 0.000 1.105 245 S CB 0.829 64.096 63.200 0.111 0.000 0.981 245 S HN 0.463 nan 8.310 nan 0.000 0.464 246 E N 1.920 122.215 120.200 0.158 0.000 2.055 246 E HA 0.353 4.702 4.350 -0.000 0.000 0.274 246 E C -0.586 176.084 176.600 0.116 0.000 0.949 246 E CA -0.535 55.986 56.400 0.203 0.000 0.775 246 E CB 1.023 30.940 29.700 0.362 0.000 1.097 246 E HN 0.614 nan 8.360 nan 0.000 0.404 247 S N 2.116 117.866 115.700 0.083 0.000 3.578 247 S HA -0.071 4.398 4.470 -0.000 0.000 0.449 247 S C 0.087 174.901 174.600 0.358 0.000 0.853 247 S CA 0.474 58.757 58.200 0.138 0.000 1.348 247 S CB -1.113 62.072 63.200 -0.026 0.000 0.907 247 S HN 1.074 nan 8.310 nan 0.000 0.627 248 G N -0.742 108.258 108.800 0.333 0.000 2.873 248 G HA2 0.429 4.388 3.960 -0.000 0.000 0.507 248 G HA3 0.429 4.388 3.960 -0.000 0.000 0.507 248 G C -0.683 174.272 174.900 0.092 0.000 1.440 248 G CA -0.048 45.209 45.100 0.262 0.000 1.016 248 G HN 1.728 nan 8.290 nan 0.000 0.615 249 V N -0.114 119.817 119.914 0.029 0.000 3.155 249 V HA 0.949 5.069 4.120 -0.000 0.000 0.313 249 V C 1.475 177.547 176.094 -0.037 0.000 1.162 249 V CA -0.058 62.246 62.300 0.008 0.000 1.048 249 V CB 1.300 33.126 31.823 0.005 0.000 1.092 249 V HN 2.304 nan 8.190 nan 0.000 0.447 250 A N -0.148 122.649 122.820 -0.038 0.000 2.259 250 A HA 0.172 4.491 4.320 -0.000 0.000 0.212 250 A C 1.392 178.924 177.584 -0.087 0.000 1.178 250 A CA 1.292 53.285 52.037 -0.073 0.000 0.734 250 A CB -0.830 18.123 19.000 -0.079 0.000 0.774 250 A HN 0.809 nan 8.150 nan 0.000 0.481 251 L N -0.608 120.563 121.223 -0.086 0.000 2.818 251 L HA 0.099 4.439 4.340 -0.000 0.000 0.243 251 L C 0.150 176.928 176.870 -0.154 0.000 1.185 251 L CA -0.062 54.711 54.840 -0.111 0.000 0.988 251 L CB 0.455 42.461 42.059 -0.088 0.000 1.292 251 L HN 0.079 nan 8.230 nan 0.000 0.519 252 T N 0.100 114.555 114.554 -0.165 0.000 3.945 252 T HA 0.044 4.394 4.350 -0.000 0.000 0.306 252 T C 1.497 176.058 174.700 -0.231 0.000 1.475 252 T CA 0.380 62.336 62.100 -0.239 0.000 1.177 252 T CB 0.169 68.883 68.868 -0.257 0.000 1.272 252 T HN 0.460 nan 8.240 nan 0.000 0.930 253 S N 2.098 117.658 115.700 -0.233 0.000 2.469 253 S HA -0.298 4.172 4.470 -0.000 0.000 0.309 253 S C 2.116 176.598 174.600 -0.196 0.000 1.209 253 S CA 1.878 59.945 58.200 -0.222 0.000 1.281 253 S CB -1.378 61.664 63.200 -0.264 0.000 1.265 253 S HN 0.511 nan 8.310 nan 0.000 0.452 254 V N 2.347 122.135 119.914 -0.210 0.000 2.357 254 V HA -0.236 3.884 4.120 -0.000 0.000 0.257 254 V C 2.207 178.217 176.094 -0.139 0.000 1.082 254 V CA 2.559 64.760 62.300 -0.166 0.000 1.078 254 V CB -0.651 31.075 31.823 -0.162 0.000 0.663 254 V HN 0.639 nan 8.190 nan 0.000 0.455 255 L N -0.717 120.416 121.223 -0.150 0.000 2.341 255 L HA 0.129 4.469 4.340 -0.000 0.000 0.214 255 L C 0.634 177.420 176.870 -0.139 0.000 1.115 255 L CA 0.106 54.858 54.840 -0.147 0.000 0.820 255 L CB 0.050 42.030 42.059 -0.132 0.000 0.944 255 L HN 0.157 nan 8.230 nan 0.000 0.452 256 V N 0.734 120.574 119.914 -0.123 0.000 2.417 256 V HA 0.284 4.404 4.120 -0.000 0.000 0.291 256 V C 0.126 176.161 176.094 -0.099 0.000 1.024 256 V CA -0.843 61.397 62.300 -0.100 0.000 0.861 256 V CB 1.819 33.583 31.823 -0.099 0.000 0.985 256 V HN -0.024 nan 8.190 nan 0.000 0.436 257 K N 4.364 124.715 120.400 -0.081 0.000 2.227 257 K HA 0.501 4.821 4.320 -0.000 0.000 0.280 257 K C -0.555 176.003 176.600 -0.069 0.000 1.041 257 K CA -0.343 55.901 56.287 -0.072 0.000 0.905 257 K CB 1.187 33.651 32.500 -0.060 0.000 1.068 257 K HN 0.629 nan 8.250 nan 0.000 0.470 258 K N 0.903 121.262 120.400 -0.068 0.000 2.267 258 K HA 0.677 4.997 4.320 -0.000 0.000 0.246 258 K C 0.146 176.718 176.600 -0.047 0.000 0.954 258 K CA -0.428 55.821 56.287 -0.064 0.000 0.824 258 K CB 1.696 34.151 32.500 -0.075 0.000 1.167 258 K HN 0.805 nan 8.250 nan 0.000 0.431 259 G N 1.301 110.074 108.800 -0.044 0.000 2.445 259 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.212 259 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.212 259 G C -1.506 173.372 174.900 -0.036 0.000 1.217 259 G CA -0.464 44.616 45.100 -0.032 0.000 1.002 259 G HN 0.624 nan 8.290 nan 0.000 0.574 260 D N 0.292 120.674 120.400 -0.030 0.000 2.280 260 D HA 0.552 5.191 4.640 -0.000 0.000 0.236 260 D C 1.691 177.966 176.300 -0.042 0.000 1.082 260 D CA 0.373 54.351 54.000 -0.036 0.000 0.834 260 D CB 1.589 42.373 40.800 -0.026 0.000 1.100 260 D HN 1.039 nan 8.370 nan 0.000 0.486 261 V N 2.564 122.441 119.914 -0.062 0.000 2.535 261 V HA -0.019 4.101 4.120 -0.000 0.000 0.246 261 V C 2.260 178.302 176.094 -0.085 0.000 1.045 261 V CA 0.960 63.212 62.300 -0.080 0.000 1.058 261 V CB -0.686 31.066 31.823 -0.118 0.000 0.689 261 V HN 0.402 nan 8.190 nan 0.000 0.461 262 K N 2.106 122.458 120.400 -0.081 0.000 2.117 262 K HA -0.202 4.118 4.320 -0.000 0.000 0.215 262 K C -0.046 176.530 176.600 -0.039 0.000 1.053 262 K CA 2.903 59.151 56.287 -0.065 0.000 0.935 262 K CB -1.881 30.596 32.500 -0.038 0.000 0.719 262 K HN 0.459 nan 8.250 nan 0.000 0.460 263 P HA -0.159 nan 4.420 nan 0.000 0.216 263 P C 1.391 178.691 177.300 0.001 0.000 1.150 263 P CA 1.031 64.126 63.100 -0.009 0.000 0.837 263 P CB 0.011 31.706 31.700 -0.009 0.000 0.786 264 L N -1.166 120.054 121.223 -0.006 0.000 2.109 264 L HA -0.080 4.260 4.340 -0.000 0.000 0.207 264 L C 2.110 179.006 176.870 0.042 0.000 1.086 264 L CA 1.583 56.437 54.840 0.023 0.000 0.760 264 L CB -0.825 41.247 42.059 0.021 0.000 0.910 264 L HN -0.041 nan 8.230 nan 0.000 0.437 265 A N 0.113 122.919 122.820 -0.023 0.000 1.902 265 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 265 A C 1.950 179.619 177.584 0.141 0.000 1.181 265 A CA 1.699 53.739 52.037 0.004 0.000 0.623 265 A CB -0.477 18.382 19.000 -0.235 0.000 0.818 265 A HN 0.574 nan 8.150 nan 0.000 0.443 266 E N -0.732 119.509 120.200 0.067 0.000 2.204 266 E HA -0.233 4.117 4.350 -0.000 0.000 0.195 266 E C 2.136 178.773 176.600 0.062 0.000 0.990 266 E CA 1.129 57.568 56.400 0.065 0.000 0.821 266 E CB -0.152 29.568 29.700 0.033 0.000 0.750 266 E HN 0.814 nan 8.360 nan 0.000 0.477 267 Q N 0.704 120.541 119.800 0.060 0.000 2.123 267 Q HA -0.104 4.236 4.340 -0.000 0.000 0.199 267 Q C 2.184 178.223 176.000 0.065 0.000 0.966 267 Q CA 0.746 56.576 55.803 0.046 0.000 0.845 267 Q CB 0.146 28.905 28.738 0.035 0.000 0.907 267 Q HN 0.298 nan 8.270 nan 0.000 0.439 268 I N 0.545 121.190 120.570 0.125 0.000 2.179 268 I HA -0.261 3.909 4.170 -0.000 0.000 0.242 268 I C 2.477 178.632 176.117 0.064 0.000 1.088 268 I CA 0.950 62.330 61.300 0.133 0.000 1.357 268 I CB -0.588 37.562 38.000 0.250 0.000 1.051 268 I HN 0.241 nan 8.210 nan 0.000 0.409 269 A N 1.518 124.385 122.820 0.079 0.000 1.892 269 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 269 A C 2.300 179.890 177.584 0.009 0.000 1.188 269 A CA 1.848 53.899 52.037 0.024 0.000 0.631 269 A CB -0.983 18.049 19.000 0.054 0.000 0.822 269 A HN 0.410 nan 8.150 nan 0.000 0.447 270 I N -0.658 119.924 120.570 0.020 0.000 2.163 270 I HA -0.245 3.925 4.170 -0.000 0.000 0.243 270 I C 2.585 178.700 176.117 -0.003 0.000 1.085 270 I CA 1.862 63.165 61.300 0.006 0.000 1.347 270 I CB -0.980 37.024 38.000 0.007 0.000 1.044 270 I HN 0.266 nan 8.210 nan 0.000 0.408 271 T N 0.863 115.415 114.554 -0.002 0.000 2.759 271 T HA -0.149 4.201 4.350 -0.000 0.000 0.269 271 T C 1.764 176.454 174.700 -0.016 0.000 1.042 271 T CA 1.529 63.622 62.100 -0.013 0.000 1.140 271 T CB -0.256 68.603 68.868 -0.015 0.000 0.864 271 T HN 0.504 nan 8.240 nan 0.000 0.455 272 A N 0.345 123.154 122.820 -0.019 0.000 2.238 272 A HA 0.520 4.839 4.320 -0.000 0.000 0.208 272 A C 1.573 179.141 177.584 -0.027 0.000 1.177 272 A CA 0.559 52.577 52.037 -0.031 0.000 0.804 272 A CB -0.692 18.273 19.000 -0.058 0.000 0.823 272 A HN 0.767 nan 8.150 nan 0.000 0.482 273 G N -1.302 107.487 108.800 -0.018 0.000 2.326 273 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.286 273 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.286 273 G C -0.102 174.789 174.900 -0.015 0.000 1.096 273 G CA 0.066 45.158 45.100 -0.015 0.000 1.003 273 G HN 0.604 nan 8.290 nan 0.000 0.503 274 c N -0.046 118.547 118.600 -0.013 0.000 2.667 274 c HA 0.705 5.275 4.570 -0.000 0.000 0.323 274 c C 0.760 174.851 174.090 0.002 0.000 1.214 274 c CA -1.102 55.221 56.329 -0.010 0.000 1.721 274 c CB 1.677 44.174 42.510 -0.022 0.000 2.275 274 c HN 0.668 nan 8.230 nan 0.000 0.491 275 K N 0.804 121.209 120.400 0.008 0.000 2.295 275 K HA 0.365 4.685 4.320 -0.000 0.000 0.270 275 K C 0.518 177.129 176.600 0.019 0.000 1.011 275 K CA 0.190 56.485 56.287 0.013 0.000 0.953 275 K CB 0.284 32.793 32.500 0.015 0.000 0.956 275 K HN 0.839 nan 8.250 nan 0.000 0.477 276 T N -2.266 112.299 114.554 0.019 0.000 3.296 276 T HA 0.072 4.422 4.350 -0.000 0.000 0.285 276 T C 0.947 175.659 174.700 0.020 0.000 1.014 276 T CA -0.510 61.606 62.100 0.025 0.000 0.920 276 T CB 0.077 68.961 68.868 0.026 0.000 1.143 276 T HN 0.415 nan 8.240 nan 0.000 0.522 277 T N 2.665 117.228 114.554 0.014 0.000 2.720 277 T HA 0.001 4.351 4.350 -0.000 0.000 0.268 277 T C 1.191 175.897 174.700 0.009 0.000 1.037 277 T CA 1.908 64.014 62.100 0.009 0.000 1.144 277 T CB -0.236 68.635 68.868 0.004 0.000 0.864 277 T HN 0.835 nan 8.240 nan 0.000 0.444 278 T N -2.244 112.315 114.554 0.007 0.000 2.841 278 T HA 0.491 4.841 4.350 -0.000 0.000 0.296 278 T C 1.008 175.716 174.700 0.013 0.000 1.166 278 T CA -0.391 61.713 62.100 0.006 0.000 1.007 278 T CB 1.637 70.495 68.868 -0.018 0.000 1.253 278 T HN -0.185 nan 8.240 nan 0.000 0.511 279 S N 0.263 115.983 115.700 0.033 0.000 2.348 279 S HA 0.010 4.480 4.470 -0.000 0.000 0.221 279 S C 2.476 177.070 174.600 -0.009 0.000 1.033 279 S CA 1.523 59.765 58.200 0.070 0.000 1.010 279 S CB -1.038 62.276 63.200 0.190 0.000 0.891 279 S HN 0.962 nan 8.310 nan 0.000 0.442 280 A N 0.718 123.387 122.820 -0.252 0.000 2.032 280 A HA -0.086 4.234 4.320 -0.000 0.000 0.221 280 A C 2.191 179.715 177.584 -0.100 0.000 1.165 280 A CA 1.534 53.358 52.037 -0.355 0.000 0.645 280 A CB -0.703 17.941 19.000 -0.594 0.000 0.807 280 A HN 0.389 nan 8.150 nan 0.000 0.453 281 V N -0.560 119.322 119.914 -0.052 0.000 2.407 281 V HA -0.236 3.884 4.120 -0.000 0.000 0.245 281 V C 2.563 178.688 176.094 0.052 0.000 1.041 281 V CA 1.907 64.215 62.300 0.013 0.000 1.040 281 V CB -0.618 31.207 31.823 0.004 0.000 0.671 281 V HN 0.572 nan 8.190 nan 0.000 0.455 282 M N -0.333 119.298 119.600 0.052 0.000 2.086 282 M HA -0.145 4.335 4.480 -0.000 0.000 0.261 282 M C 2.243 178.548 176.300 0.007 0.000 1.067 282 M CA 1.645 56.979 55.300 0.057 0.000 1.116 282 M CB -0.518 32.164 32.600 0.135 0.000 1.348 282 M HN 0.262 nan 8.290 nan 0.000 0.407 283 V N -0.453 119.491 119.914 0.049 0.000 2.255 283 V HA -0.310 3.809 4.120 -0.000 0.000 0.247 283 V C 2.261 178.388 176.094 0.056 0.000 1.051 283 V CA 2.474 64.771 62.300 -0.005 0.000 1.018 283 V CB -1.219 30.668 31.823 0.107 0.000 0.641 283 V HN 0.465 nan 8.190 nan 0.000 0.445 284 H N -0.292 118.777 119.070 -0.001 0.000 2.265 284 H HA -0.249 4.307 4.556 -0.000 0.000 0.295 284 H C 2.434 177.760 175.328 -0.004 0.000 1.084 284 H CA 2.450 58.500 56.048 0.004 0.000 1.261 284 H CB -0.881 28.873 29.762 -0.014 0.000 1.360 284 H HN 0.431 nan 8.280 nan 0.000 0.487 285 c N 0.133 118.729 118.600 -0.007 0.000 2.401 285 c HA -0.154 4.416 4.570 -0.000 0.000 0.276 285 c C 2.872 176.896 174.090 -0.111 0.000 1.233 285 c CA 1.382 57.663 56.329 -0.080 0.000 1.753 285 c CB -1.515 40.986 42.510 -0.014 0.000 2.029 285 c HN 0.654 nan 8.230 nan 0.000 0.478 286 L N -0.083 121.078 121.223 -0.103 0.000 2.376 286 L HA -0.015 4.324 4.340 -0.000 0.000 0.219 286 L C 2.879 179.750 176.870 0.002 0.000 1.133 286 L CA 0.907 55.685 54.840 -0.104 0.000 0.816 286 L CB -0.595 41.291 42.059 -0.289 0.000 0.933 286 L HN 0.340 nan 8.230 nan 0.000 0.449 287 R N -0.501 120.000 120.500 0.002 0.000 2.193 287 R HA -0.065 4.275 4.340 -0.000 0.000 0.213 287 R C 2.062 178.293 176.300 -0.115 0.000 1.055 287 R CA 0.564 56.647 56.100 -0.027 0.000 0.995 287 R CB 0.071 30.366 30.300 -0.009 0.000 0.893 287 R HN 0.444 nan 8.270 nan 0.000 0.459 288 Q N 0.806 120.507 119.800 -0.165 0.000 2.096 288 Q HA 0.009 4.349 4.340 -0.000 0.000 0.197 288 Q C 0.378 176.324 176.000 -0.089 0.000 0.964 288 Q CA 0.735 56.445 55.803 -0.154 0.000 0.838 288 Q CB -0.044 28.578 28.738 -0.193 0.000 0.906 288 Q HN 0.018 nan 8.270 nan 0.000 0.444 289 K N 2.528 122.882 120.400 -0.077 0.000 2.591 289 K HA -0.029 4.291 4.320 -0.000 0.000 0.280 289 K C 0.593 177.182 176.600 -0.018 0.000 0.964 289 K CA 0.368 56.627 56.287 -0.046 0.000 1.014 289 K CB -0.214 32.253 32.500 -0.055 0.000 0.877 289 K HN 0.320 nan 8.250 nan 0.000 0.502 290 T N -2.053 112.503 114.554 0.004 0.000 2.828 290 T HA 0.042 4.391 4.350 -0.000 0.000 0.290 290 T C 1.326 176.081 174.700 0.091 0.000 1.019 290 T CA -0.652 61.465 62.100 0.028 0.000 1.031 290 T CB 1.155 70.035 68.868 0.021 0.000 1.001 290 T HN 0.596 nan 8.240 nan 0.000 0.531 291 E N 0.238 120.506 120.200 0.113 0.000 2.085 291 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 291 E C 1.749 178.498 176.600 0.248 0.000 0.994 291 E CA 1.502 58.038 56.400 0.226 0.000 0.801 291 E CB -0.060 29.669 29.700 0.048 0.000 0.743 291 E HN 0.791 nan 8.360 nan 0.000 0.453 292 E N 0.362 120.635 120.200 0.122 0.000 2.208 292 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 292 E C 1.772 178.435 176.600 0.105 0.000 0.988 292 E CA 0.884 57.347 56.400 0.106 0.000 0.828 292 E CB 0.143 29.875 29.700 0.052 0.000 0.763 292 E HN 0.339 nan 8.360 nan 0.000 0.478 293 E N -0.088 120.161 120.200 0.081 0.000 2.072 293 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 293 E C 1.953 178.577 176.600 0.041 0.000 0.985 293 E CA 0.810 57.237 56.400 0.045 0.000 0.801 293 E CB -0.048 29.662 29.700 0.016 0.000 0.750 293 E HN 0.296 nan 8.360 nan 0.000 0.452 294 L N 0.530 121.784 121.223 0.052 0.000 2.156 294 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 294 L C 2.459 179.353 176.870 0.040 0.000 1.095 294 L CA 0.183 54.981 54.840 -0.070 0.000 0.770 294 L CB -0.214 41.637 42.059 -0.346 0.000 0.914 294 L HN 0.170 nan 8.230 nan 0.000 0.439 295 L N 0.012 121.398 121.223 0.273 0.000 2.141 295 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 295 L C 2.349 179.324 176.870 0.175 0.000 1.094 295 L CA 1.697 56.739 54.840 0.336 0.000 0.763 295 L CB -0.423 41.819 42.059 0.305 0.000 0.908 295 L HN 0.206 nan 8.230 nan 0.000 0.437 296 E N -1.269 118.997 120.200 0.111 0.000 2.046 296 E HA -0.158 4.192 4.350 -0.000 0.000 0.190 296 E C 1.897 178.529 176.600 0.053 0.000 0.982 296 E CA 1.607 58.048 56.400 0.068 0.000 0.800 296 E CB -0.173 29.553 29.700 0.042 0.000 0.756 296 E HN 0.501 nan 8.360 nan 0.000 0.449 297 T N 0.814 115.391 114.554 0.038 0.000 2.737 297 T HA -0.172 4.178 4.350 -0.000 0.000 0.269 297 T C 1.993 176.730 174.700 0.062 0.000 1.040 297 T CA 1.782 63.895 62.100 0.021 0.000 1.142 297 T CB -0.477 68.385 68.868 -0.010 0.000 0.861 297 T HN 0.158 nan 8.240 nan 0.000 0.456 298 T N 2.022 116.655 114.554 0.131 0.000 2.821 298 T HA 0.101 4.451 4.350 -0.000 0.000 0.267 298 T C 1.858 176.671 174.700 0.188 0.000 1.046 298 T CA 0.708 62.982 62.100 0.291 0.000 1.139 298 T CB -0.326 68.734 68.868 0.320 0.000 0.871 298 T HN 0.286 nan 8.240 nan 0.000 0.454 299 L N 0.198 121.487 121.223 0.111 0.000 2.376 299 L HA 0.026 4.366 4.340 -0.000 0.000 0.219 299 L C 2.404 179.267 176.870 -0.012 0.000 1.133 299 L CA 0.986 55.861 54.840 0.059 0.000 0.816 299 L CB -0.235 41.858 42.059 0.057 0.000 0.933 299 L HN 0.257 nan 8.230 nan 0.000 0.449 300 K N -0.612 119.765 120.400 -0.039 0.000 2.128 300 K HA 0.009 4.329 4.320 -0.000 0.000 0.202 300 K C 2.090 178.591 176.600 -0.166 0.000 1.050 300 K CA 0.715 56.956 56.287 -0.077 0.000 0.966 300 K CB 0.012 32.479 32.500 -0.055 0.000 0.759 300 K HN 0.136 nan 8.250 nan 0.000 0.454 301 M N 1.283 120.713 119.600 -0.283 0.000 2.260 301 M HA -0.122 4.358 4.480 -0.000 0.000 0.261 301 M C 0.145 176.110 176.300 -0.557 0.000 1.066 301 M CA 1.345 56.312 55.300 -0.554 0.000 1.082 301 M CB -0.885 30.992 32.600 -1.206 0.000 1.388 301 M HN 0.132 nan 8.290 nan 0.000 0.419 302 K N -0.541 119.623 120.400 -0.393 0.000 3.372 302 K HA -0.197 4.123 4.320 -0.000 0.000 0.272 302 K C 0.318 176.811 176.600 -0.179 0.000 1.037 302 K CA -0.036 56.130 56.287 -0.201 0.000 0.777 302 K CB -2.191 30.227 32.500 -0.136 0.000 1.347 302 K HN 0.211 nan 8.250 nan 0.000 0.460 303 F N -0.225 119.741 119.950 0.027 0.000 2.161 303 F HA -0.213 4.314 4.527 -0.000 0.000 0.300 303 F C 1.987 177.805 175.800 0.029 0.000 1.089 303 F CA 0.923 58.942 58.000 0.031 0.000 1.282 303 F CB 0.001 39.030 39.000 0.048 0.000 1.010 303 F HN 0.217 nan 8.300 nan 0.000 0.485 304 L N -1.131 120.215 121.223 0.206 0.000 2.664 304 L HA 0.169 4.509 4.340 -0.000 0.000 0.233 304 L C 0.642 177.568 176.870 0.094 0.000 1.113 304 L CA 0.424 55.346 54.840 0.137 0.000 0.896 304 L CB -0.244 41.879 42.059 0.107 0.000 1.163 304 L HN -0.238 nan 8.230 nan 0.000 0.497 305 S N 1.410 117.151 115.700 0.067 0.000 2.423 305 S HA 0.168 4.638 4.470 -0.000 0.000 0.302 305 S C 0.066 174.676 174.600 0.017 0.000 1.143 305 S CA -0.451 57.768 58.200 0.031 0.000 1.080 305 S CB -0.040 63.162 63.200 0.004 0.000 1.081 305 S HN 0.139 nan 8.310 nan 0.000 0.522 306 L N 4.217 125.455 121.223 0.025 0.000 2.827 306 L HA -0.010 4.330 4.340 -0.000 0.000 0.280 306 L C 0.208 177.043 176.870 -0.057 0.000 1.122 306 L CA 0.215 55.048 54.840 -0.012 0.000 1.044 306 L CB -0.695 41.328 42.059 -0.059 0.000 1.402 306 L HN 0.525 nan 8.230 nan 0.000 0.467 307 D N 3.975 124.343 120.400 -0.053 0.000 2.389 307 D HA -0.037 4.603 4.640 -0.000 0.000 0.278 307 D C 1.161 177.408 176.300 -0.088 0.000 1.398 307 D CA 0.270 54.229 54.000 -0.069 0.000 1.090 307 D CB 0.358 41.115 40.800 -0.072 0.000 1.108 307 D HN 0.618 nan 8.370 nan 0.000 0.532 308 L N 2.707 123.878 121.223 -0.087 0.000 1.925 308 L HA -0.150 4.190 4.340 -0.000 0.000 0.215 308 L C 1.326 178.149 176.870 -0.077 0.000 1.082 308 L CA 1.017 55.802 54.840 -0.092 0.000 0.764 308 L CB -0.690 41.322 42.059 -0.077 0.000 0.887 308 L HN 0.533 nan 8.230 nan 0.000 0.432 309 Q N 0.231 119.995 119.800 -0.061 0.000 2.294 309 Q HA 0.512 4.852 4.340 -0.000 0.000 0.257 309 Q C -0.142 175.821 176.000 -0.061 0.000 0.955 309 Q CA 0.207 55.979 55.803 -0.052 0.000 0.936 309 Q CB 1.580 30.297 28.738 -0.035 0.000 1.188 309 Q HN 0.423 nan 8.270 nan 0.000 0.420 310 G N 1.955 110.713 108.800 -0.070 0.000 2.600 310 G HA2 0.015 3.975 3.960 -0.000 0.000 0.103 310 G HA3 0.015 3.975 3.960 -0.000 0.000 0.103 310 G C -1.732 173.104 174.900 -0.105 0.000 1.090 310 G CA -0.378 44.675 45.100 -0.079 0.000 1.090 310 G HN 0.589 nan 8.290 nan 0.000 0.500 311 D N 0.516 120.832 120.400 -0.140 0.000 2.696 311 D HA 0.540 5.180 4.640 -0.000 0.000 0.251 311 D C -1.727 174.392 176.300 -0.302 0.000 1.188 311 D CA -1.429 52.451 54.000 -0.201 0.000 0.876 311 D CB 2.865 43.581 40.800 -0.140 0.000 1.334 311 D HN -0.077 nan 8.370 nan 0.000 0.540 312 P HA -0.122 nan 4.420 nan 0.000 0.205 312 P C 1.221 178.212 177.300 -0.514 0.000 1.181 312 P CA 1.291 63.999 63.100 -0.652 0.000 0.933 312 P CB 0.301 31.132 31.700 -1.448 0.000 0.775 313 R N -0.095 119.895 120.500 -0.850 0.000 2.153 313 R HA -0.172 4.168 4.340 -0.000 0.000 0.252 313 R C 0.757 176.945 176.300 -0.186 0.000 1.158 313 R CA 1.272 57.007 56.100 -0.609 0.000 0.975 313 R CB -0.928 29.082 30.300 -0.483 0.000 0.871 313 R HN 0.445 nan 8.270 nan 0.000 0.450 314 E N 0.789 120.879 120.200 -0.183 0.000 2.069 314 E HA 0.180 4.530 4.350 -0.000 0.000 0.254 314 E C -1.003 175.548 176.600 -0.081 0.000 1.088 314 E CA -0.178 56.165 56.400 -0.096 0.000 1.017 314 E CB 1.021 30.667 29.700 -0.090 0.000 1.226 314 E HN -0.038 nan 8.360 nan 0.000 0.458 315 S N 2.370 118.045 115.700 -0.041 0.000 2.288 315 S HA 0.033 4.503 4.470 -0.000 0.000 0.258 315 S C -1.514 173.095 174.600 0.015 0.000 0.919 315 S CA -0.772 57.410 58.200 -0.030 0.000 1.010 315 S CB 0.660 63.824 63.200 -0.060 0.000 1.231 315 S HN 0.313 nan 8.310 nan 0.000 0.403 316 Q N 5.543 125.362 119.800 0.032 0.000 2.337 316 Q HA 0.467 4.807 4.340 -0.000 0.000 0.255 316 Q C -1.424 174.650 176.000 0.124 0.000 0.997 316 Q CA -1.891 53.958 55.803 0.077 0.000 0.925 316 Q CB 1.202 30.004 28.738 0.106 0.000 1.212 316 Q HN 0.436 nan 8.270 nan 0.000 0.436 317 P HA 0.024 nan 4.420 nan 0.000 0.233 317 P C -0.939 176.522 177.300 0.267 0.000 1.167 317 P CA 0.421 63.611 63.100 0.150 0.000 0.770 317 P CB 0.205 31.953 31.700 0.081 0.000 0.837 318 L N -4.484 116.880 121.223 0.235 0.000 3.355 318 L HA 0.283 4.623 4.340 -0.000 0.000 0.251 318 L C -0.810 176.033 176.870 -0.045 0.000 0.980 318 L CA -0.984 53.911 54.840 0.092 0.000 1.051 318 L CB -0.447 41.614 42.059 0.004 0.000 1.710 318 L HN -0.334 nan 8.230 nan 0.000 0.469 319 L N 2.249 123.368 121.223 -0.173 0.000 2.525 319 L HA 0.650 4.990 4.340 -0.000 0.000 0.278 319 L C 1.132 177.907 176.870 -0.158 0.000 1.218 319 L CA 1.092 55.883 54.840 -0.082 0.000 0.878 319 L CB -0.082 41.961 42.059 -0.027 0.000 1.127 319 L HN 1.006 nan 8.230 nan 0.000 0.492 320 G N 1.412 110.130 108.800 -0.137 0.000 3.135 320 G HA2 0.469 4.429 3.960 -0.000 0.000 0.278 320 G HA3 0.469 4.429 3.960 -0.000 0.000 0.278 320 G C -0.897 173.911 174.900 -0.154 0.000 1.302 320 G CA -0.500 44.424 45.100 -0.293 0.000 0.880 320 G HN 0.420 nan 8.290 nan 0.000 0.574 321 T N 0.354 114.833 114.554 -0.124 0.000 2.930 321 T HA 0.455 4.805 4.350 -0.000 0.000 0.306 321 T C 0.526 175.242 174.700 0.026 0.000 1.045 321 T CA 0.245 62.403 62.100 0.097 0.000 1.134 321 T CB 1.012 69.979 68.868 0.165 0.000 0.961 321 T HN 1.024 nan 8.240 nan 0.000 0.545 322 V N -0.027 119.903 119.914 0.027 0.000 3.156 322 V HA 0.602 4.722 4.120 -0.000 0.000 0.311 322 V C -0.595 175.470 176.094 -0.048 0.000 1.208 322 V CA -1.275 61.002 62.300 -0.038 0.000 1.063 322 V CB 1.694 33.473 31.823 -0.074 0.000 1.098 322 V HN 0.587 nan 8.190 nan 0.000 0.452 323 I N 3.097 123.629 120.570 -0.065 0.000 2.243 323 I HA 0.241 4.411 4.170 -0.000 0.000 0.289 323 I C 0.994 177.068 176.117 -0.072 0.000 1.140 323 I CA -0.165 61.096 61.300 -0.064 0.000 1.289 323 I CB -0.623 37.340 38.000 -0.061 0.000 1.498 323 I HN 0.942 nan 8.210 nan 0.000 0.561 324 D N 3.448 123.799 120.400 -0.082 0.000 2.097 324 D HA -0.126 4.514 4.640 -0.000 0.000 0.195 324 D C 1.550 177.809 176.300 -0.068 0.000 0.989 324 D CA 1.673 55.615 54.000 -0.097 0.000 0.827 324 D CB 0.072 40.793 40.800 -0.133 0.000 0.966 324 D HN 0.586 nan 8.370 nan 0.000 0.456 325 G N -1.205 107.564 108.800 -0.051 0.000 2.205 325 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.180 325 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.180 325 G C 0.928 175.815 174.900 -0.021 0.000 1.004 325 G CA 0.456 45.535 45.100 -0.035 0.000 0.670 325 G HN 0.196 nan 8.290 nan 0.000 0.496 326 M N -1.017 118.569 119.600 -0.024 0.000 2.925 326 M HA 0.501 4.981 4.480 -0.000 0.000 0.249 326 M C 2.072 178.373 176.300 0.001 0.000 1.439 326 M CA 0.984 56.282 55.300 -0.004 0.000 1.217 326 M CB -0.841 31.761 32.600 0.003 0.000 1.245 326 M HN 0.253 nan 8.290 nan 0.000 0.552 327 L N -0.216 120.999 121.223 -0.014 0.000 2.357 327 L HA 0.362 4.702 4.340 -0.000 0.000 0.211 327 L C -0.177 176.676 176.870 -0.028 0.000 1.075 327 L CA 0.868 55.702 54.840 -0.011 0.000 0.830 327 L CB 0.592 42.645 42.059 -0.011 0.000 0.996 327 L HN 0.058 nan 8.230 nan 0.000 0.467 328 L N -0.448 120.752 121.223 -0.038 0.000 2.436 328 L HA 0.283 4.623 4.340 -0.000 0.000 0.268 328 L C 0.078 176.921 176.870 -0.044 0.000 0.974 328 L CA -0.371 54.439 54.840 -0.050 0.000 0.826 328 L CB 2.246 44.266 42.059 -0.064 0.000 1.291 328 L HN -0.046 nan 8.230 nan 0.000 0.406 329 L N 2.216 123.414 121.223 -0.042 0.000 2.463 329 L HA 0.205 4.545 4.340 -0.000 0.000 0.219 329 L C 0.311 177.155 176.870 -0.044 0.000 1.088 329 L CA 0.560 55.378 54.840 -0.036 0.000 0.849 329 L CB 0.056 42.100 42.059 -0.025 0.000 1.012 329 L HN 0.603 nan 8.230 nan 0.000 0.468 330 K N -1.585 118.782 120.400 -0.055 0.000 2.607 330 K HA 0.321 4.641 4.320 -0.000 0.000 0.287 330 K C -0.628 175.930 176.600 -0.070 0.000 0.996 330 K CA -0.791 55.461 56.287 -0.058 0.000 0.876 330 K CB 0.647 33.115 32.500 -0.053 0.000 1.496 330 K HN -0.153 nan 8.250 nan 0.000 0.415 331 T N -0.858 113.655 114.554 -0.069 0.000 2.923 331 T HA 0.018 4.368 4.350 -0.000 0.000 0.304 331 T C -1.856 172.793 174.700 -0.084 0.000 1.044 331 T CA -0.608 61.445 62.100 -0.078 0.000 1.141 331 T CB 0.026 68.847 68.868 -0.078 0.000 1.023 331 T HN 0.347 nan 8.240 nan 0.000 0.533 332 P HA -0.138 nan 4.420 nan 0.000 0.217 332 P C 1.320 178.570 177.300 -0.083 0.000 1.151 332 P CA 1.138 64.182 63.100 -0.094 0.000 0.849 332 P CB 0.013 31.658 31.700 -0.092 0.000 0.787 333 E N -0.322 119.829 120.200 -0.081 0.000 2.171 333 E HA -0.208 4.142 4.350 -0.000 0.000 0.197 333 E C 1.722 178.286 176.600 -0.061 0.000 0.997 333 E CA 1.351 57.708 56.400 -0.072 0.000 0.810 333 E CB -0.640 29.010 29.700 -0.084 0.000 0.738 333 E HN 0.494 nan 8.360 nan 0.000 0.467 334 E N -0.478 119.683 120.200 -0.065 0.000 2.340 334 E HA 0.120 4.470 4.350 -0.000 0.000 0.198 334 E C 1.928 178.487 176.600 -0.069 0.000 0.961 334 E CA -0.151 56.214 56.400 -0.057 0.000 0.905 334 E CB 0.110 29.778 29.700 -0.053 0.000 0.884 334 E HN 0.151 nan 8.360 nan 0.000 0.491 335 L N 1.588 122.758 121.223 -0.089 0.000 2.017 335 L HA -0.198 4.141 4.340 -0.000 0.000 0.208 335 L C 1.969 178.749 176.870 -0.151 0.000 1.073 335 L CA 1.415 56.179 54.840 -0.126 0.000 0.745 335 L CB -0.083 41.887 42.059 -0.147 0.000 0.894 335 L HN 0.172 nan 8.230 nan 0.000 0.432 336 Q N -0.976 118.753 119.800 -0.118 0.000 2.344 336 Q HA 0.079 4.419 4.340 -0.000 0.000 0.212 336 Q C 1.112 177.079 176.000 -0.055 0.000 0.943 336 Q CA 0.576 56.321 55.803 -0.097 0.000 0.955 336 Q CB 0.035 28.747 28.738 -0.043 0.000 1.000 336 Q HN 0.379 nan 8.270 nan 0.000 0.488 337 A N 1.161 123.947 122.820 -0.057 0.000 2.197 337 A HA 0.014 4.334 4.320 -0.000 0.000 0.210 337 A C 0.527 178.097 177.584 -0.023 0.000 1.180 337 A CA -0.195 51.824 52.037 -0.030 0.000 0.846 337 A CB 0.065 19.048 19.000 -0.028 0.000 0.884 337 A HN 0.589 nan 8.150 nan 0.000 0.487 338 E N 0.140 120.318 120.200 -0.037 0.000 2.229 338 E HA 0.341 4.691 4.350 -0.000 0.000 0.283 338 E C 0.579 177.192 176.600 0.021 0.000 1.030 338 E CA -0.788 55.606 56.400 -0.009 0.000 0.836 338 E CB 1.167 30.860 29.700 -0.012 0.000 1.068 338 E HN 0.334 nan 8.360 nan 0.000 0.401 339 R N 3.660 124.182 120.500 0.037 0.000 2.062 339 R HA -0.058 4.282 4.340 -0.000 0.000 0.226 339 R C -0.186 176.168 176.300 0.091 0.000 1.125 339 R CA 0.720 56.850 56.100 0.050 0.000 0.966 339 R CB -0.138 30.178 30.300 0.028 0.000 0.861 339 R HN 0.551 nan 8.270 nan 0.000 0.433 340 N N 0.937 119.689 118.700 0.086 0.000 2.394 340 N HA 0.050 4.790 4.740 -0.000 0.000 0.288 340 N C -1.250 174.384 175.510 0.208 0.000 1.272 340 N CA 0.531 53.641 53.050 0.100 0.000 1.004 340 N CB -0.015 38.513 38.487 0.069 0.000 1.393 340 N HN 0.163 nan 8.380 nan 0.000 0.488 341 F N 0.168 120.119 119.950 0.001 0.000 2.719 341 F HA 0.224 4.751 4.527 -0.000 0.000 0.309 341 F C -1.068 174.746 175.800 0.023 0.000 1.138 341 F CA -1.230 56.780 58.000 0.018 0.000 0.943 341 F CB 1.116 40.123 39.000 0.011 0.000 1.304 341 F HN 0.295 nan 8.300 nan 0.000 0.445 342 H N 2.280 120.674 119.070 -1.128 0.000 3.004 342 H HA 0.436 4.992 4.556 -0.000 0.000 0.267 342 H C -0.290 174.679 175.328 -0.598 0.000 1.165 342 H CA 0.413 56.009 56.048 -0.753 0.000 1.450 342 H CB 0.413 29.739 29.762 -0.727 0.000 1.488 342 H HN 0.633 nan 8.280 nan 0.000 0.478 343 T N 2.192 116.473 114.554 -0.455 0.000 2.918 343 T HA 0.551 4.900 4.350 -0.000 0.000 0.283 343 T C 0.087 174.649 174.700 -0.230 0.000 1.001 343 T CA -0.364 61.628 62.100 -0.180 0.000 1.041 343 T CB 1.504 70.278 68.868 -0.157 0.000 1.028 343 T HN 0.460 nan 8.240 nan 0.000 0.511 344 V N -2.347 117.597 119.914 0.050 0.000 3.114 344 V HA 0.698 4.818 4.120 -0.000 0.000 0.308 344 V C -3.318 172.968 176.094 0.319 0.000 1.168 344 V CA -3.287 59.056 62.300 0.071 0.000 1.015 344 V CB 1.588 33.399 31.823 -0.019 0.000 1.050 344 V HN 0.656 nan 8.190 nan 0.000 0.433 345 P HA 0.128 nan 4.420 nan 0.000 0.257 345 P C -1.384 176.257 177.300 0.569 0.000 1.189 345 P CA 0.821 64.125 63.100 0.341 0.000 0.780 345 P CB -0.426 31.299 31.700 0.042 0.000 0.772 346 Y N 3.965 124.471 120.300 0.344 0.000 2.364 346 Y HA 0.528 5.078 4.550 -0.000 0.000 0.340 346 Y C -0.100 175.830 175.900 0.050 0.000 0.975 346 Y CA -1.399 56.739 58.100 0.062 0.000 1.089 346 Y CB 1.449 39.516 38.460 -0.655 0.000 1.192 346 Y HN 0.165 nan 8.280 nan 0.000 0.454 347 M N 8.570 128.107 119.600 -0.105 0.000 2.065 347 M HA 0.311 4.791 4.480 -0.000 0.000 0.308 347 M C -1.961 174.028 176.300 -0.517 0.000 0.939 347 M CA -0.579 54.422 55.300 -0.498 0.000 0.890 347 M CB 0.224 32.073 32.600 -1.251 0.000 1.383 347 M HN 0.397 nan 8.290 nan 0.000 0.381 348 V N 2.893 122.425 119.914 -0.636 0.000 2.732 348 V HA 0.879 4.999 4.120 -0.000 0.000 0.297 348 V C 0.796 176.553 176.094 -0.561 0.000 1.060 348 V CA -0.394 61.541 62.300 -0.609 0.000 1.038 348 V CB 1.137 32.541 31.823 -0.699 0.000 1.003 348 V HN 0.895 nan 8.190 nan 0.000 0.481 349 G N 2.593 111.021 108.800 -0.620 0.000 2.682 349 G HA2 0.836 4.796 3.960 -0.000 0.000 0.290 349 G HA3 0.836 4.796 3.960 -0.000 0.000 0.290 349 G C -1.328 173.217 174.900 -0.593 0.000 1.425 349 G CA -0.472 43.907 45.100 -1.201 0.000 0.807 349 G HN 1.057 nan 8.290 nan 0.000 0.482 350 I N -2.917 117.382 120.570 -0.452 0.000 3.263 350 I HA 0.593 4.763 4.170 -0.000 0.000 0.314 350 I C -1.471 174.705 176.117 0.098 0.000 1.269 350 I CA -1.399 59.850 61.300 -0.085 0.000 0.942 350 I CB 2.342 40.316 38.000 -0.044 0.000 1.305 350 I HN 0.490 nan 8.210 nan 0.000 0.474 351 N N 1.540 120.309 118.700 0.115 0.000 2.370 351 N HA 0.273 5.013 4.740 -0.000 0.000 0.303 351 N C -0.037 175.567 175.510 0.156 0.000 1.103 351 N CA -0.873 52.302 53.050 0.209 0.000 0.848 351 N CB 2.410 41.018 38.487 0.202 0.000 1.235 351 N HN 0.565 nan 8.380 nan 0.000 0.496 352 K N 1.153 121.661 120.400 0.180 0.000 2.005 352 K HA -0.257 4.063 4.320 -0.000 0.000 0.229 352 K C 0.031 176.707 176.600 0.127 0.000 1.050 352 K CA 1.940 58.310 56.287 0.138 0.000 0.994 352 K CB -0.020 32.557 32.500 0.128 0.000 0.736 352 K HN 0.576 nan 8.250 nan 0.000 0.448 353 Q N 0.600 120.479 119.800 0.133 0.000 2.560 353 Q HA 0.096 4.436 4.340 -0.000 0.000 0.238 353 Q C 0.174 176.249 176.000 0.125 0.000 1.079 353 Q CA -0.454 55.430 55.803 0.136 0.000 0.866 353 Q CB 1.513 30.332 28.738 0.135 0.000 1.153 353 Q HN 0.257 nan 8.270 nan 0.000 0.530 354 E N 1.043 121.299 120.200 0.092 0.000 2.012 354 E HA -0.172 4.178 4.350 -0.000 0.000 0.197 354 E C 0.383 177.007 176.600 0.041 0.000 1.007 354 E CA 1.240 57.619 56.400 -0.034 0.000 0.816 354 E CB 0.022 29.580 29.700 -0.237 0.000 0.762 354 E HN 0.467 nan 8.360 nan 0.000 0.451 355 F N 1.487 121.438 119.950 0.002 0.000 2.833 355 F HA 0.216 4.743 4.527 -0.000 0.000 0.327 355 F C 1.362 177.176 175.800 0.024 0.000 1.184 355 F CA -0.265 57.735 58.000 -0.001 0.000 1.328 355 F CB 0.021 39.014 39.000 -0.013 0.000 1.440 355 F HN -0.071 nan 8.300 nan 0.000 0.569 356 G N 0.383 109.222 108.800 0.066 0.000 2.447 356 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.211 356 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.211 356 G C 0.902 175.884 174.900 0.137 0.000 1.184 356 G CA 0.790 45.963 45.100 0.121 0.000 0.813 356 G HN 0.655 nan 8.290 nan 0.000 0.540 357 W N -1.071 120.159 121.300 -0.117 0.000 5.441 357 W HA 0.289 4.948 4.660 -0.000 0.000 0.169 357 W C 1.762 178.196 176.519 -0.141 0.000 1.574 357 W CA 0.286 57.565 57.345 -0.111 0.000 2.017 357 W CB -0.555 28.893 29.460 -0.021 0.000 0.678 357 W HN 0.047 nan 8.180 nan 0.000 1.088 358 L N 2.301 123.501 121.223 -0.038 0.000 2.011 358 L HA -0.279 4.061 4.340 -0.000 0.000 0.225 358 L C 2.030 178.638 176.870 -0.437 0.000 1.084 358 L CA 3.018 57.676 54.840 -0.303 0.000 0.791 358 L CB -1.204 40.946 42.059 0.153 0.000 0.898 358 L HN 0.276 nan 8.230 nan 0.000 0.440 359 I N -1.216 119.117 120.570 -0.396 0.000 2.353 359 I HA -0.145 4.025 4.170 -0.000 0.000 0.248 359 I C -0.383 175.392 176.117 -0.570 0.000 1.119 359 I CA 0.832 61.881 61.300 -0.418 0.000 1.417 359 I CB -1.629 36.167 38.000 -0.341 0.000 1.078 359 I HN 0.272 nan 8.210 nan 0.000 0.421 360 P HA -0.140 nan 4.420 nan 0.000 0.217 360 P C 1.088 178.222 177.300 -0.276 0.000 1.150 360 P CA 1.153 63.824 63.100 -0.715 0.000 0.832 360 P CB 0.043 31.278 31.700 -0.774 0.000 0.787 364 M N 0.362 119.961 119.600 -0.003 0.000 2.618 364 M HA 0.142 4.622 4.480 -0.000 0.000 0.240 364 M C 0.192 176.565 176.300 0.121 0.000 1.123 364 M CA 0.358 55.723 55.300 0.109 0.000 1.060 364 M CB 0.271 33.022 32.600 0.252 0.000 1.535 364 M HN 0.229 nan 8.290 nan 0.000 0.507 365 S N 0.763 116.513 115.700 0.083 0.000 3.530 365 S HA -0.168 4.301 4.470 -0.000 0.000 0.472 365 S C -0.673 174.005 174.600 0.130 0.000 0.818 365 S CA 0.229 58.474 58.200 0.076 0.000 1.367 365 S CB -1.409 61.807 63.200 0.028 0.000 0.912 365 S HN 0.394 nan 8.310 nan 0.000 0.672 366 Y N 1.893 122.217 120.300 0.040 0.000 2.335 366 Y HA 0.392 4.941 4.550 -0.000 0.000 0.323 366 Y C -1.161 174.785 175.900 0.075 0.000 1.224 366 Y CA -1.730 56.428 58.100 0.097 0.000 1.241 366 Y CB 0.563 39.123 38.460 0.167 0.000 1.235 366 Y HN 0.178 nan 8.280 nan 0.000 0.492 367 P HA 0.012 nan 4.420 nan 0.000 0.239 367 P C -0.119 177.258 177.300 0.128 0.000 1.184 367 P CA 0.821 63.972 63.100 0.085 0.000 0.760 367 P CB 0.008 31.720 31.700 0.021 0.000 0.884 368 L N -0.084 121.266 121.223 0.211 0.000 3.053 368 L HA -0.007 4.333 4.340 -0.000 0.000 0.244 368 L C 1.752 178.701 176.870 0.130 0.000 1.430 368 L CA -0.017 54.930 54.840 0.178 0.000 1.143 368 L CB -1.173 41.023 42.059 0.229 0.000 1.539 368 L HN 0.130 nan 8.230 nan 0.000 0.442 369 S N -0.685 115.074 115.700 0.098 0.000 2.329 369 S HA -0.119 4.351 4.470 -0.000 0.000 0.215 369 S C 1.565 176.208 174.600 0.071 0.000 1.031 369 S CA 0.331 58.579 58.200 0.080 0.000 0.985 369 S CB -0.125 63.111 63.200 0.060 0.000 0.917 369 S HN 0.475 nan 8.310 nan 0.000 0.441 370 E N 1.673 121.908 120.200 0.058 0.000 2.394 370 E HA -0.064 4.286 4.350 -0.000 0.000 0.202 370 E C 1.670 178.304 176.600 0.057 0.000 1.029 370 E CA 0.908 57.338 56.400 0.049 0.000 0.855 370 E CB -1.183 28.541 29.700 0.039 0.000 0.770 370 E HN 0.858 nan 8.360 nan 0.000 0.527 371 G N 1.217 110.061 108.800 0.073 0.000 2.184 371 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.264 371 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.264 371 G C 0.300 175.246 174.900 0.077 0.000 0.975 371 G CA 1.055 46.204 45.100 0.081 0.000 0.642 371 G HN 0.499 nan 8.290 nan 0.000 0.536 372 Q N -1.489 118.349 119.800 0.064 0.000 2.552 372 Q HA 0.940 5.280 4.340 -0.000 0.000 0.289 372 Q C -1.088 174.936 176.000 0.041 0.000 1.097 372 Q CA -1.353 54.483 55.803 0.054 0.000 0.812 372 Q CB 2.407 31.170 28.738 0.041 0.000 1.460 372 Q HN 0.645 nan 8.270 nan 0.000 0.452 373 L N 1.047 122.286 121.223 0.027 0.000 2.672 373 L HA 0.401 4.741 4.340 -0.000 0.000 0.256 373 L C -2.214 174.651 176.870 -0.007 0.000 0.946 373 L CA -0.144 54.690 54.840 -0.009 0.000 0.889 373 L CB 2.454 44.482 42.059 -0.053 0.000 1.441 373 L HN 0.963 nan 8.230 nan 0.000 0.418 374 D N 2.337 122.724 120.400 -0.022 0.000 2.419 374 D HA 0.282 4.921 4.640 -0.000 0.000 0.234 374 D C 0.067 176.357 176.300 -0.017 0.000 1.014 374 D CA -0.565 53.431 54.000 -0.007 0.000 0.919 374 D CB 1.535 42.336 40.800 0.001 0.000 1.366 374 D HN 0.573 nan 8.370 nan 0.000 0.490 375 Q N 0.547 120.351 119.800 0.006 0.000 2.047 375 Q HA -0.246 4.094 4.340 -0.000 0.000 0.211 375 Q C 1.619 177.622 176.000 0.005 0.000 1.005 375 Q CA 1.822 57.634 55.803 0.015 0.000 0.866 375 Q CB -0.217 28.537 28.738 0.027 0.000 0.938 375 Q HN 0.517 nan 8.270 nan 0.000 0.414 376 K N -0.524 119.878 120.400 0.003 0.000 2.442 376 K HA -0.104 4.215 4.320 -0.000 0.000 0.199 376 K C 1.566 178.164 176.600 -0.004 0.000 1.044 376 K CA 1.269 57.557 56.287 0.003 0.000 0.941 376 K CB 0.188 32.690 32.500 0.003 0.000 0.759 376 K HN 0.180 nan 8.250 nan 0.000 0.472 377 T N -1.128 113.411 114.554 -0.024 0.000 3.018 377 T HA 0.142 4.492 4.350 -0.000 0.000 0.246 377 T C 1.604 176.245 174.700 -0.098 0.000 1.026 377 T CA 0.459 62.533 62.100 -0.042 0.000 1.081 377 T CB 0.338 69.178 68.868 -0.047 0.000 0.970 377 T HN 0.207 nan 8.240 nan 0.000 0.475 378 A N 1.607 124.336 122.820 -0.151 0.000 1.929 378 A HA 0.111 4.431 4.320 -0.000 0.000 0.216 378 A C 2.224 179.775 177.584 -0.055 0.000 1.176 378 A CA 1.144 52.981 52.037 -0.333 0.000 0.628 378 A CB -0.619 18.221 19.000 -0.267 0.000 0.816 378 A HN 0.442 nan 8.150 nan 0.000 0.444 379 M N -0.879 118.745 119.600 0.039 0.000 2.229 379 M HA -0.099 4.381 4.480 -0.000 0.000 0.264 379 M C 2.164 178.540 176.300 0.126 0.000 1.063 379 M CA 1.721 57.084 55.300 0.105 0.000 1.114 379 M CB -0.006 32.630 32.600 0.060 0.000 1.387 379 M HN 0.413 nan 8.290 nan 0.000 0.420 380 S N 0.010 115.764 115.700 0.090 0.000 2.446 380 S HA 0.062 4.532 4.470 -0.000 0.000 0.225 380 S C 1.659 176.372 174.600 0.188 0.000 1.016 380 S CA 0.370 58.651 58.200 0.135 0.000 0.943 380 S CB -0.090 63.158 63.200 0.081 0.000 0.786 380 S HN 0.535 nan 8.310 nan 0.000 0.508 381 L N 0.620 121.922 121.223 0.132 0.000 2.156 381 L HA 0.035 4.375 4.340 -0.000 0.000 0.208 381 L C 2.152 179.256 176.870 0.390 0.000 1.095 381 L CA 0.621 55.573 54.840 0.187 0.000 0.770 381 L CB -0.241 41.839 42.059 0.035 0.000 0.914 381 L HN 0.339 nan 8.230 nan 0.000 0.439 382 L N -1.025 120.481 121.223 0.472 0.000 2.201 382 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 382 L C 2.044 179.172 176.870 0.429 0.000 1.105 382 L CA 1.627 56.733 54.840 0.443 0.000 0.775 382 L CB -0.487 41.811 42.059 0.398 0.000 0.913 382 L HN 0.324 nan 8.230 nan 0.000 0.440 383 W N 0.356 121.756 121.300 0.166 0.000 2.381 383 W HA -0.238 4.422 4.660 -0.000 0.000 0.321 383 W C 2.260 178.866 176.519 0.145 0.000 1.196 383 W CA 0.906 58.338 57.345 0.145 0.000 1.304 383 W CB 0.056 29.567 29.460 0.086 0.000 1.166 383 W HN -0.030 nan 8.180 nan 0.000 0.473 384 K N 0.292 120.761 120.400 0.116 0.000 2.211 384 K HA -0.141 4.179 4.320 -0.000 0.000 0.204 384 K C 1.663 178.252 176.600 -0.018 0.000 1.047 384 K CA 1.572 57.809 56.287 -0.083 0.000 0.935 384 K CB -0.304 32.166 32.500 -0.049 0.000 0.728 384 K HN -0.006 nan 8.250 nan 0.000 0.452 385 S N 0.380 116.145 115.700 0.107 0.000 2.650 385 S HA -0.039 4.430 4.470 -0.000 0.000 0.219 385 S C 1.029 175.675 174.600 0.077 0.000 0.960 385 S CA -0.192 58.075 58.200 0.111 0.000 0.925 385 S CB -0.274 63.041 63.200 0.191 0.000 0.775 385 S HN 0.326 nan 8.310 nan 0.000 0.525 386 Y N 4.011 124.282 120.300 -0.049 0.000 2.096 386 Y HA -0.210 4.340 4.550 -0.000 0.000 0.278 386 Y C -0.719 175.142 175.900 -0.065 0.000 1.192 386 Y CA 2.068 60.133 58.100 -0.057 0.000 1.143 386 Y CB -1.164 37.149 38.460 -0.246 0.000 0.963 386 Y HN 0.265 nan 8.280 nan 0.000 0.505 387 P HA -0.164 nan 4.420 nan 0.000 0.222 387 P C 1.503 178.716 177.300 -0.144 0.000 1.147 387 P CA 1.593 64.646 63.100 -0.077 0.000 0.790 387 P CB -0.041 31.669 31.700 0.016 0.000 0.780 388 L N -0.389 120.755 121.223 -0.131 0.000 2.145 388 L HA -0.025 4.315 4.340 -0.000 0.000 0.201 388 L C 2.619 179.337 176.870 -0.253 0.000 1.075 388 L CA 1.010 55.753 54.840 -0.163 0.000 0.773 388 L CB -0.440 41.544 42.059 -0.124 0.000 0.936 388 L HN -0.144 nan 8.230 nan 0.000 0.451 389 V N -5.637 114.123 119.914 -0.256 0.000 3.307 389 V HA 0.067 4.187 4.120 -0.000 0.000 0.253 389 V C 1.238 177.178 176.094 -0.257 0.000 1.149 389 V CA -0.401 61.735 62.300 -0.272 0.000 1.112 389 V CB -0.224 31.452 31.823 -0.246 0.000 0.777 389 V HN 0.511 nan 8.190 nan 0.000 0.464 390 C N 1.368 120.413 119.300 -0.425 0.000 4.167 390 C HA -0.167 4.293 4.460 -0.000 0.000 0.302 390 C C 0.528 175.420 174.990 -0.163 0.000 1.384 390 C CA 0.293 58.927 59.018 -0.640 0.000 2.041 390 C CB -2.837 24.608 27.740 -0.491 0.000 1.303 390 C HN 0.661 nan 8.230 nan 0.000 0.718 391 I N 1.364 121.962 120.570 0.048 0.000 2.312 391 I HA 0.473 4.643 4.170 -0.000 0.000 0.290 391 I C 0.975 177.362 176.117 0.450 0.000 1.008 391 I CA 0.018 61.495 61.300 0.295 0.000 1.226 391 I CB 1.056 39.184 38.000 0.212 0.000 1.371 391 I HN 0.504 nan 8.210 nan 0.000 0.468 392 A N 6.146 129.217 122.820 0.418 0.000 2.507 392 A HA 0.038 4.358 4.320 -0.000 0.000 0.235 392 A C 1.486 179.181 177.584 0.185 0.000 1.070 392 A CA 0.001 52.271 52.037 0.388 0.000 0.768 392 A CB 0.286 19.440 19.000 0.256 0.000 1.011 392 A HN 0.921 nan 8.150 nan 0.000 0.502 393 K N 0.606 120.961 120.400 -0.074 0.000 2.026 393 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 393 K C 1.275 177.744 176.600 -0.218 0.000 1.048 393 K CA 1.891 57.901 56.287 -0.462 0.000 0.929 393 K CB -0.208 31.713 32.500 -0.965 0.000 0.713 393 K HN 0.873 nan 8.250 nan 0.000 0.439 394 E N 0.698 120.824 120.200 -0.123 0.000 2.385 394 E HA -0.102 4.248 4.350 -0.000 0.000 0.201 394 E C 0.791 177.374 176.600 -0.028 0.000 1.250 394 E CA 0.310 56.668 56.400 -0.070 0.000 1.104 394 E CB -0.106 29.572 29.700 -0.037 0.000 1.174 394 E HN 0.402 nan 8.360 nan 0.000 0.461 395 L N -0.741 120.471 121.223 -0.018 0.000 3.337 395 L HA 0.095 4.435 4.340 -0.000 0.000 0.313 395 L C 1.647 178.535 176.870 0.029 0.000 1.071 395 L CA -0.269 54.575 54.840 0.007 0.000 1.192 395 L CB -0.005 42.070 42.059 0.027 0.000 1.895 395 L HN 0.134 nan 8.230 nan 0.000 0.596 396 I N 1.304 121.894 120.570 0.034 0.000 2.143 396 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 396 I C -0.272 175.884 176.117 0.065 0.000 1.068 396 I CA 2.123 63.466 61.300 0.072 0.000 1.326 396 I CB -2.370 35.659 38.000 0.048 0.000 1.028 396 I HN 0.182 nan 8.210 nan 0.000 0.412 397 P HA -0.173 nan 4.420 nan 0.000 0.215 397 P C 1.760 179.085 177.300 0.041 0.000 1.153 397 P CA 1.474 64.590 63.100 0.028 0.000 0.853 397 P CB -0.047 31.654 31.700 0.002 0.000 0.788 398 E N -0.773 119.451 120.200 0.039 0.000 2.204 398 E HA -0.126 4.223 4.350 -0.000 0.000 0.194 398 E C 1.827 178.491 176.600 0.108 0.000 0.989 398 E CA 0.928 57.363 56.400 0.057 0.000 0.824 398 E CB -0.306 29.415 29.700 0.035 0.000 0.756 398 E HN 0.093 nan 8.360 nan 0.000 0.477 399 A N -0.153 122.728 122.820 0.103 0.000 1.975 399 A HA -0.035 4.285 4.320 -0.000 0.000 0.215 399 A C 2.220 179.869 177.584 0.108 0.000 1.170 399 A CA 1.221 53.328 52.037 0.116 0.000 0.656 399 A CB -0.294 18.825 19.000 0.198 0.000 0.821 399 A HN 0.207 nan 8.150 nan 0.000 0.449 400 T N -0.289 114.338 114.554 0.121 0.000 2.732 400 T HA -0.097 4.253 4.350 -0.000 0.000 0.261 400 T C 1.845 176.613 174.700 0.113 0.000 1.040 400 T CA 1.555 63.741 62.100 0.143 0.000 1.145 400 T CB -0.258 68.691 68.868 0.134 0.000 0.866 400 T HN 0.542 nan 8.240 nan 0.000 0.427 401 E N 1.155 121.395 120.200 0.067 0.000 2.267 401 E HA -0.159 4.190 4.350 -0.000 0.000 0.197 401 E C 1.968 178.567 176.600 -0.001 0.000 0.998 401 E CA 1.094 57.514 56.400 0.033 0.000 0.830 401 E CB -0.092 29.618 29.700 0.017 0.000 0.751 401 E HN 0.292 nan 8.360 nan 0.000 0.491 402 K N -1.290 119.098 120.400 -0.021 0.000 2.076 402 K HA -0.056 4.264 4.320 -0.000 0.000 0.204 402 K C 1.366 177.926 176.600 -0.067 0.000 1.051 402 K CA 1.254 57.444 56.287 -0.162 0.000 0.949 402 K CB -0.320 31.879 32.500 -0.502 0.000 0.726 402 K HN 0.168 nan 8.250 nan 0.000 0.443 403 Y N -0.296 119.926 120.300 -0.130 0.000 2.266 403 Y HA 0.145 4.695 4.550 -0.000 0.000 0.294 403 Y C 1.692 177.602 175.900 0.016 0.000 1.127 403 Y CA 0.785 58.861 58.100 -0.039 0.000 1.140 403 Y CB -0.138 38.355 38.460 0.054 0.000 1.071 403 Y HN -0.110 nan 8.280 nan 0.000 0.525 404 L N -0.805 120.558 121.223 0.233 0.000 2.418 404 L HA 0.104 4.444 4.340 -0.000 0.000 0.218 404 L C 2.426 179.347 176.870 0.085 0.000 1.125 404 L CA 1.164 56.100 54.840 0.160 0.000 0.835 404 L CB -0.978 41.187 42.059 0.176 0.000 0.953 404 L HN 0.211 nan 8.230 nan 0.000 0.454 405 G N -0.215 108.620 108.800 0.059 0.000 2.527 405 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.219 405 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.219 405 G C 1.527 176.432 174.900 0.008 0.000 1.117 405 G CA 0.695 45.809 45.100 0.024 0.000 0.759 405 G HN 0.463 nan 8.290 nan 0.000 0.556 406 G N 0.505 109.309 108.800 0.007 0.000 2.771 406 G HA2 0.048 4.008 3.960 -0.000 0.000 0.214 406 G HA3 0.048 4.008 3.960 -0.000 0.000 0.214 406 G C 1.135 176.039 174.900 0.006 0.000 1.331 406 G CA 1.742 46.839 45.100 -0.005 0.000 0.812 406 G HN 0.701 nan 8.290 nan 0.000 0.628 407 T N -3.675 110.891 114.554 0.019 0.000 2.889 407 T HA 0.516 4.866 4.350 -0.000 0.000 0.278 407 T C 0.301 175.017 174.700 0.027 0.000 0.995 407 T CA -0.097 62.015 62.100 0.021 0.000 0.966 407 T CB 2.127 71.009 68.868 0.024 0.000 1.237 407 T HN 0.043 nan 8.240 nan 0.000 0.591 408 D N -0.774 119.640 120.400 0.024 0.000 2.407 408 D HA 0.035 4.675 4.640 -0.000 0.000 0.208 408 D C -0.130 176.186 176.300 0.027 0.000 1.083 408 D CA -0.110 53.904 54.000 0.024 0.000 0.844 408 D CB 0.177 40.987 40.800 0.018 0.000 0.967 408 D HN 0.574 nan 8.370 nan 0.000 0.506 409 D N 1.354 121.772 120.400 0.030 0.000 2.368 409 D HA -0.075 4.565 4.640 -0.000 0.000 0.268 409 D C 1.472 177.796 176.300 0.040 0.000 1.298 409 D CA 0.323 54.342 54.000 0.032 0.000 0.938 409 D CB 0.991 41.810 40.800 0.033 0.000 1.101 409 D HN 0.110 nan 8.370 nan 0.000 0.509 410 T N 0.637 115.212 114.554 0.035 0.000 2.848 410 T HA -0.185 4.165 4.350 -0.000 0.000 0.269 410 T C 1.877 176.607 174.700 0.050 0.000 1.081 410 T CA 1.050 63.172 62.100 0.038 0.000 1.125 410 T CB -0.142 68.744 68.868 0.029 0.000 0.848 410 T HN 0.256 nan 8.240 nan 0.000 0.503 411 V N 1.193 121.138 119.914 0.052 0.000 2.446 411 V HA -0.004 4.116 4.120 -0.000 0.000 0.244 411 V C 2.741 178.883 176.094 0.080 0.000 1.039 411 V CA 1.324 63.663 62.300 0.064 0.000 1.045 411 V CB -0.381 31.474 31.823 0.054 0.000 0.681 411 V HN 0.469 nan 8.190 nan 0.000 0.459 412 K N 0.190 120.633 120.400 0.072 0.000 2.097 412 K HA -0.137 4.183 4.320 -0.000 0.000 0.205 412 K C 2.158 178.825 176.600 0.111 0.000 1.050 412 K CA 1.074 57.410 56.287 0.083 0.000 0.938 412 K CB -0.174 32.364 32.500 0.063 0.000 0.718 412 K HN 0.373 nan 8.250 nan 0.000 0.442 413 K N 1.114 121.578 120.400 0.106 0.000 2.209 413 K HA -0.178 4.142 4.320 -0.000 0.000 0.204 413 K C 2.098 178.813 176.600 0.191 0.000 1.048 413 K CA 1.090 57.458 56.287 0.135 0.000 0.940 413 K CB 0.027 32.583 32.500 0.094 0.000 0.729 413 K HN 0.119 nan 8.250 nan 0.000 0.451 414 K N 1.300 121.800 120.400 0.166 0.000 1.991 414 K HA -0.150 4.170 4.320 -0.000 0.000 0.207 414 K C 1.400 178.163 176.600 0.272 0.000 1.045 414 K CA 1.687 58.104 56.287 0.216 0.000 0.937 414 K CB 0.033 32.629 32.500 0.160 0.000 0.720 414 K HN 0.002 nan 8.250 nan 0.000 0.438 415 D N 1.299 121.820 120.400 0.201 0.000 2.116 415 D HA -0.211 4.429 4.640 -0.000 0.000 0.193 415 D C 2.128 178.559 176.300 0.219 0.000 0.998 415 D CA 1.312 55.425 54.000 0.189 0.000 0.836 415 D CB -0.202 40.681 40.800 0.139 0.000 0.951 415 D HN 0.284 nan 8.370 nan 0.000 0.449 416 L N -0.213 121.146 121.223 0.227 0.000 2.083 416 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 416 L C 2.454 179.531 176.870 0.344 0.000 1.083 416 L CA 0.611 55.614 54.840 0.271 0.000 0.752 416 L CB -0.349 41.855 42.059 0.242 0.000 0.899 416 L HN -0.040 nan 8.230 nan 0.000 0.433 417 F N 0.572 120.631 119.950 0.180 0.000 2.146 417 F HA -0.187 4.340 4.527 -0.000 0.000 0.298 417 F C 2.191 178.062 175.800 0.118 0.000 1.096 417 F CA 1.380 59.462 58.000 0.137 0.000 1.275 417 F CB -0.136 38.940 39.000 0.126 0.000 1.008 417 F HN -0.133 nan 8.300 nan 0.000 0.480 418 L N -0.126 121.233 121.223 0.226 0.000 2.083 418 L HA -0.240 4.100 4.340 -0.000 0.000 0.209 418 L C 2.227 179.164 176.870 0.112 0.000 1.083 418 L CA 1.458 56.413 54.840 0.192 0.000 0.752 418 L CB -0.771 41.460 42.059 0.287 0.000 0.899 418 L HN 0.147 nan 8.230 nan 0.000 0.433 419 D N -0.152 120.344 120.400 0.161 0.000 2.097 419 D HA -0.176 4.464 4.640 -0.000 0.000 0.197 419 D C 2.182 178.578 176.300 0.161 0.000 0.984 419 D CA 0.862 54.986 54.000 0.206 0.000 0.826 419 D CB -0.008 40.959 40.800 0.279 0.000 0.973 419 D HN 0.115 nan 8.370 nan 0.000 0.460 420 L N 1.795 123.042 121.223 0.038 0.000 1.991 420 L HA -0.233 4.107 4.340 -0.000 0.000 0.221 420 L C 2.370 179.021 176.870 -0.365 0.000 1.079 420 L CA 1.598 56.227 54.840 -0.352 0.000 0.778 420 L CB -1.163 40.561 42.059 -0.558 0.000 0.893 420 L HN 0.063 nan 8.230 nan 0.000 0.437 421 I N -0.184 120.089 120.570 -0.495 0.000 2.127 421 I HA -0.339 3.831 4.170 -0.000 0.000 0.241 421 I C 2.782 178.734 176.117 -0.276 0.000 1.075 421 I CA 1.380 62.349 61.300 -0.553 0.000 1.334 421 I CB -0.676 36.737 38.000 -0.980 0.000 1.040 421 I HN 0.371 nan 8.210 nan 0.000 0.405 422 A N 1.054 123.853 122.820 -0.036 0.000 1.869 422 A HA -0.326 3.994 4.320 -0.000 0.000 0.218 422 A C 1.929 179.608 177.584 0.158 0.000 1.203 422 A CA 2.628 54.792 52.037 0.212 0.000 0.638 422 A CB -0.968 18.169 19.000 0.227 0.000 0.831 422 A HN 0.410 nan 8.150 nan 0.000 0.450 423 D N -0.627 119.837 120.400 0.105 0.000 2.149 423 D HA -0.103 4.537 4.640 -0.000 0.000 0.198 423 D C 1.938 178.159 176.300 -0.132 0.000 0.990 423 D CA 1.473 55.530 54.000 0.096 0.000 0.839 423 D CB -0.421 40.568 40.800 0.315 0.000 0.948 423 D HN 0.270 nan 8.370 nan 0.000 0.460 424 V N 0.277 119.970 119.914 -0.369 0.000 2.488 424 V HA -0.122 3.998 4.120 -0.000 0.000 0.246 424 V C 2.327 178.189 176.094 -0.387 0.000 1.046 424 V CA 1.086 63.047 62.300 -0.564 0.000 1.053 424 V CB -0.244 31.114 31.823 -0.775 0.000 0.679 424 V HN 0.206 nan 8.190 nan 0.000 0.458 425 M N -1.260 118.113 119.600 -0.377 0.000 2.216 425 M HA 0.094 4.574 4.480 -0.000 0.000 0.264 425 M C 1.942 177.865 176.300 -0.629 0.000 1.080 425 M CA 2.004 56.953 55.300 -0.587 0.000 1.153 425 M CB -0.153 31.941 32.600 -0.843 0.000 1.356 425 M HN 0.374 nan 8.290 nan 0.000 0.432 426 F N -1.078 118.829 119.950 -0.071 0.000 2.637 426 F HA 0.345 4.872 4.527 -0.000 0.000 0.284 426 F C 2.229 178.005 175.800 -0.040 0.000 1.105 426 F CA 0.065 58.045 58.000 -0.032 0.000 1.356 426 F CB -1.257 37.760 39.000 0.029 0.000 1.096 426 F HN 0.058 nan 8.300 nan 0.000 0.616 427 G N 1.233 110.134 108.800 0.168 0.000 2.800 427 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.190 427 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.190 427 G C 1.716 176.646 174.900 0.050 0.000 1.468 427 G CA 1.422 46.583 45.100 0.101 0.000 0.840 427 G HN 0.060 nan 8.290 nan 0.000 0.588 428 V N 2.634 122.589 119.914 0.069 0.000 2.257 428 V HA -0.231 3.889 4.120 -0.000 0.000 0.257 428 V C 0.505 176.615 176.094 0.028 0.000 1.077 428 V CA 2.868 65.219 62.300 0.085 0.000 1.063 428 V CB -1.545 30.353 31.823 0.124 0.000 0.664 428 V HN 0.355 nan 8.190 nan 0.000 0.450 429 P HA -0.143 nan 4.420 nan 0.000 0.210 429 P C 2.050 179.324 177.300 -0.044 0.000 1.185 429 P CA 2.153 65.226 63.100 -0.046 0.000 0.924 429 P CB -0.229 31.413 31.700 -0.096 0.000 0.786 430 S N -1.102 114.570 115.700 -0.047 0.000 2.428 430 S HA -0.152 4.318 4.470 -0.000 0.000 0.240 430 S C 1.860 176.374 174.600 -0.144 0.000 1.036 430 S CA 1.279 59.422 58.200 -0.095 0.000 1.009 430 S CB -1.138 62.005 63.200 -0.095 0.000 0.803 430 S HN -0.063 nan 8.310 nan 0.000 0.486 431 V N 1.365 121.222 119.914 -0.095 0.000 2.331 431 V HA -0.001 4.118 4.120 -0.000 0.000 0.242 431 V C 1.959 178.043 176.094 -0.017 0.000 1.034 431 V CA 1.100 63.344 62.300 -0.092 0.000 1.027 431 V CB -0.470 31.341 31.823 -0.020 0.000 0.667 431 V HN 0.458 nan 8.190 nan 0.000 0.457 432 I N 0.257 120.839 120.570 0.019 0.000 2.399 432 I HA -0.236 3.934 4.170 -0.000 0.000 0.254 432 I C 2.301 178.440 176.117 0.036 0.000 1.146 432 I CA 1.152 62.479 61.300 0.045 0.000 1.412 432 I CB -0.472 37.551 38.000 0.039 0.000 1.076 432 I HN 0.193 nan 8.210 nan 0.000 0.432 433 V N 1.045 120.959 119.914 -0.000 0.000 2.307 433 V HA -0.254 3.866 4.120 -0.000 0.000 0.245 433 V C 2.779 178.898 176.094 0.041 0.000 1.045 433 V CA 1.947 64.260 62.300 0.022 0.000 1.024 433 V CB -0.985 30.833 31.823 -0.008 0.000 0.651 433 V HN 0.487 nan 8.190 nan 0.000 0.449 434 A N 0.067 122.841 122.820 -0.077 0.000 1.883 434 A HA -0.249 4.070 4.320 -0.000 0.000 0.217 434 A C 2.364 180.050 177.584 0.170 0.000 1.186 434 A CA 1.970 53.955 52.037 -0.086 0.000 0.624 434 A CB -0.582 18.146 19.000 -0.453 0.000 0.822 434 A HN 0.487 nan 8.150 nan 0.000 0.444 435 R N -0.665 119.963 120.500 0.213 0.000 2.127 435 R HA -0.149 4.191 4.340 -0.000 0.000 0.238 435 R C 1.543 177.945 176.300 0.169 0.000 1.134 435 R CA 1.691 57.946 56.100 0.259 0.000 0.975 435 R CB -0.357 30.064 30.300 0.202 0.000 0.865 435 R HN 0.605 nan 8.270 nan 0.000 0.447 436 N N -1.049 117.740 118.700 0.147 0.000 2.424 436 N HA -0.081 4.659 4.740 -0.000 0.000 0.178 436 N C 1.349 176.952 175.510 0.155 0.000 1.060 436 N CA 0.527 53.649 53.050 0.120 0.000 0.901 436 N CB 0.094 38.634 38.487 0.088 0.000 0.979 436 N HN 0.237 nan 8.380 nan 0.000 0.451 437 H N 0.447 119.590 119.070 0.121 0.000 2.384 437 H HA 0.184 4.740 4.556 -0.000 0.000 0.300 437 H C 2.135 177.540 175.328 0.128 0.000 1.057 437 H CA 1.224 57.366 56.048 0.157 0.000 1.370 437 H CB 0.256 30.165 29.762 0.245 0.000 1.417 437 H HN -0.011 nan 8.280 nan 0.000 0.527 438 R N 0.449 121.060 120.500 0.185 0.000 2.070 438 R HA -0.135 4.205 4.340 -0.000 0.000 0.232 438 R C 1.152 177.470 176.300 0.031 0.000 1.138 438 R CA 2.159 58.323 56.100 0.107 0.000 0.936 438 R CB -0.343 30.055 30.300 0.163 0.000 0.839 438 R HN 0.295 nan 8.270 nan 0.000 0.429 439 D N -0.014 120.415 120.400 0.049 0.000 2.393 439 D HA -0.112 4.528 4.640 -0.000 0.000 0.220 439 D C 0.998 177.299 176.300 0.002 0.000 0.974 439 D CA 1.186 55.200 54.000 0.023 0.000 0.931 439 D CB 0.099 40.921 40.800 0.037 0.000 0.889 439 D HN 0.441 nan 8.370 nan 0.000 0.512 440 A N -0.443 122.365 122.820 -0.020 0.000 2.308 440 A HA 0.490 4.810 4.320 -0.000 0.000 0.217 440 A C 1.354 178.898 177.584 -0.066 0.000 1.216 440 A CA 0.488 52.502 52.037 -0.039 0.000 0.864 440 A CB -0.117 18.849 19.000 -0.055 0.000 0.902 440 A HN 0.176 nan 8.150 nan 0.000 0.499 441 G N -0.998 107.762 108.800 -0.067 0.000 2.473 441 G HA2 0.343 4.303 3.960 -0.000 0.000 0.289 441 G HA3 0.343 4.303 3.960 -0.000 0.000 0.289 441 G C -0.101 174.738 174.900 -0.101 0.000 1.084 441 G CA 0.185 45.246 45.100 -0.064 0.000 1.215 441 G HN 1.854 nan 8.290 nan 0.000 0.527 442 A N 1.479 124.228 122.820 -0.118 0.000 2.566 442 A HA 0.870 5.190 4.320 -0.000 0.000 0.297 442 A C -2.876 174.712 177.584 0.007 0.000 1.059 442 A CA -1.213 50.752 52.037 -0.119 0.000 0.691 442 A CB 1.642 20.431 19.000 -0.351 0.000 1.282 442 A HN 0.251 nan 8.150 nan 0.000 0.401 443 P HA 0.216 nan 4.420 nan 0.000 0.260 443 P C -0.459 176.969 177.300 0.213 0.000 1.185 443 P CA 1.024 64.179 63.100 0.092 0.000 0.763 443 P CB 0.460 32.258 31.700 0.163 0.000 0.776 444 T N 3.650 118.216 114.554 0.020 0.000 2.921 444 T HA 0.495 4.845 4.350 -0.000 0.000 0.297 444 T C -1.058 173.549 174.700 -0.155 0.000 1.013 444 T CA -0.322 61.845 62.100 0.112 0.000 0.990 444 T CB 0.678 69.699 68.868 0.255 0.000 1.023 444 T HN 0.091 nan 8.240 nan 0.000 0.447 445 Y N 1.702 121.987 120.300 -0.024 0.000 2.442 445 Y HA 0.677 5.227 4.550 -0.000 0.000 0.344 445 Y C 0.129 175.976 175.900 -0.088 0.000 0.976 445 Y CA -1.073 56.989 58.100 -0.063 0.000 1.040 445 Y CB 1.922 40.104 38.460 -0.463 0.000 1.228 445 Y HN 0.379 nan 8.280 nan 0.000 0.451 446 M N 3.244 123.009 119.600 0.276 0.000 2.761 446 M HA 0.586 5.066 4.480 -0.000 0.000 0.305 446 M C -1.367 175.227 176.300 0.491 0.000 1.235 446 M CA -0.962 54.382 55.300 0.072 0.000 0.850 446 M CB 2.981 35.386 32.600 -0.324 0.000 1.744 446 M HN 0.812 nan 8.290 nan 0.000 0.480 447 Y N -1.690 118.753 120.300 0.238 0.000 2.750 447 Y HA 0.678 5.228 4.550 -0.000 0.000 0.335 447 Y C -1.770 174.229 175.900 0.165 0.000 1.252 447 Y CA -1.067 57.179 58.100 0.245 0.000 1.064 447 Y CB 1.436 40.037 38.460 0.235 0.000 1.321 447 Y HN 0.679 nan 8.280 nan 0.000 0.451 448 E N 1.734 122.257 120.200 0.538 0.000 2.334 448 E HA 0.287 4.637 4.350 -0.000 0.000 0.280 448 E C -2.187 174.696 176.600 0.471 0.000 0.899 448 E CA -0.645 55.988 56.400 0.388 0.000 0.813 448 E CB 1.376 31.198 29.700 0.205 0.000 1.318 448 E HN 0.593 nan 8.360 nan 0.000 0.399 449 F N 3.087 123.260 119.950 0.371 0.000 2.418 449 F HA 0.201 4.728 4.527 -0.000 0.000 0.341 449 F C 0.195 176.101 175.800 0.177 0.000 1.120 449 F CA 0.510 58.648 58.000 0.230 0.000 1.232 449 F CB 1.008 40.143 39.000 0.226 0.000 1.175 449 F HN 0.521 nan 8.300 nan 0.000 0.569 450 Q N 6.036 125.658 119.800 -0.296 0.000 3.825 450 Q HA 0.174 4.514 4.340 -0.000 0.000 0.218 450 Q C -2.332 173.557 176.000 -0.185 0.000 0.882 450 Q CA -0.424 55.311 55.803 -0.112 0.000 0.766 450 Q CB 0.506 29.228 28.738 -0.026 0.000 1.497 450 Q HN 0.748 nan 8.270 nan 0.000 0.428 451 Y N 0.281 120.356 120.300 -0.375 0.000 2.513 451 Y HA 0.450 5.000 4.550 -0.000 0.000 0.340 451 Y C -1.664 174.266 175.900 0.050 0.000 1.055 451 Y CA -0.931 57.032 58.100 -0.227 0.000 1.020 451 Y CB 1.707 39.916 38.460 -0.418 0.000 1.301 451 Y HN 0.350 nan 8.280 nan 0.000 0.453 452 R N 7.382 127.527 120.500 -0.592 0.000 2.280 452 R HA 0.400 4.740 4.340 -0.000 0.000 0.326 452 R C -2.620 173.360 176.300 -0.534 0.000 1.080 452 R CA -1.976 53.900 56.100 -0.372 0.000 1.002 452 R CB 0.533 30.653 30.300 -0.299 0.000 1.136 452 R HN 0.451 nan 8.270 nan 0.000 0.509 453 P HA -0.056 nan 4.420 nan 0.000 0.268 453 P C 0.189 177.285 177.300 -0.340 0.000 1.208 453 P CA 0.192 63.234 63.100 -0.097 0.000 0.777 453 P CB 1.083 32.978 31.700 0.326 0.000 0.875 454 S N 0.421 115.747 115.700 -0.624 0.000 2.603 454 S HA -0.001 4.469 4.470 -0.000 0.000 0.220 454 S C 1.357 175.595 174.600 -0.604 0.000 0.967 454 S CA 0.118 57.956 58.200 -0.603 0.000 0.920 454 S CB -1.033 61.792 63.200 -0.625 0.000 0.773 454 S HN 0.399 nan 8.310 nan 0.000 0.529 455 F N 1.866 121.633 119.950 -0.304 0.000 2.473 455 F HA 0.273 4.799 4.527 -0.000 0.000 0.294 455 F C 1.567 177.219 175.800 -0.247 0.000 1.103 455 F CA -0.373 57.382 58.000 -0.408 0.000 1.442 455 F CB -0.641 37.796 39.000 -0.939 0.000 1.097 455 F HN 0.015 nan 8.300 nan 0.000 0.547 456 S N 0.952 116.642 115.700 -0.016 0.000 2.558 456 S HA -0.115 4.354 4.470 -0.000 0.000 0.297 456 S C 0.539 175.144 174.600 0.009 0.000 1.283 456 S CA -0.225 58.023 58.200 0.080 0.000 1.044 456 S CB 0.240 63.442 63.200 0.003 0.000 0.789 456 S HN 0.327 nan 8.310 nan 0.000 0.500 457 S N 1.459 117.184 115.700 0.041 0.000 2.558 457 S HA -0.041 4.429 4.470 -0.000 0.000 0.293 457 S C 1.094 175.632 174.600 -0.102 0.000 1.292 457 S CA -0.366 57.845 58.200 0.019 0.000 1.063 457 S CB 0.205 63.496 63.200 0.150 0.000 0.831 457 S HN 0.687 nan 8.310 nan 0.000 0.499 458 D N 4.248 124.617 120.400 -0.052 0.000 2.392 458 D HA -0.133 4.507 4.640 -0.000 0.000 0.228 458 D C 1.177 177.420 176.300 -0.095 0.000 1.003 458 D CA 0.750 54.703 54.000 -0.078 0.000 0.917 458 D CB -0.131 40.645 40.800 -0.039 0.000 0.890 458 D HN 0.640 nan 8.370 nan 0.000 0.532 459 M N -0.147 119.396 119.600 -0.096 0.000 2.371 459 M HA 0.059 4.539 4.480 -0.000 0.000 0.246 459 M C 0.791 176.893 176.300 -0.330 0.000 1.103 459 M CA -0.118 55.144 55.300 -0.062 0.000 1.010 459 M CB 0.579 33.274 32.600 0.157 0.000 1.457 459 M HN -0.201 nan 8.290 nan 0.000 0.486 460 K N 3.207 123.157 120.400 -0.751 0.000 2.258 460 K HA 0.255 4.574 4.320 -0.000 0.000 0.284 460 K C -2.213 174.008 176.600 -0.631 0.000 1.051 460 K CA -1.699 53.784 56.287 -1.340 0.000 0.923 460 K CB 0.898 32.535 32.500 -1.439 0.000 1.046 460 K HN -0.104 nan 8.250 nan 0.000 0.474 461 P HA -0.045 nan 4.420 nan 0.000 0.269 461 P C -0.593 176.590 177.300 -0.195 0.000 1.211 461 P CA 0.137 63.098 63.100 -0.232 0.000 0.781 461 P CB 0.661 32.283 31.700 -0.130 0.000 0.877 462 K N -0.049 120.272 120.400 -0.132 0.000 2.418 462 K HA -0.004 4.316 4.320 -0.000 0.000 0.195 462 K C 1.283 177.832 176.600 -0.085 0.000 1.035 462 K CA 1.137 57.354 56.287 -0.116 0.000 1.003 462 K CB -0.325 32.117 32.500 -0.097 0.000 0.793 462 K HN 0.595 nan 8.250 nan 0.000 0.494 463 T N -1.311 113.207 114.554 -0.060 0.000 3.366 463 T HA 0.175 4.525 4.350 -0.000 0.000 0.249 463 T C 0.153 174.848 174.700 -0.009 0.000 1.028 463 T CA -0.359 61.725 62.100 -0.027 0.000 0.938 463 T CB -0.160 68.705 68.868 -0.004 0.000 1.046 463 T HN -0.259 nan 8.240 nan 0.000 0.587 464 V N 2.066 121.961 119.914 -0.031 0.000 2.409 464 V HA 0.513 4.633 4.120 -0.000 0.000 0.290 464 V C -0.437 175.656 176.094 -0.002 0.000 1.017 464 V CA -0.944 61.358 62.300 0.005 0.000 0.841 464 V CB 1.293 33.115 31.823 -0.000 0.000 1.003 464 V HN 0.510 nan 8.190 nan 0.000 0.426 465 I N 3.347 123.934 120.570 0.028 0.000 2.509 465 I HA 0.664 4.834 4.170 -0.000 0.000 0.293 465 I C 0.921 177.095 176.117 0.095 0.000 1.020 465 I CA -0.584 60.732 61.300 0.026 0.000 1.088 465 I CB 2.034 40.030 38.000 -0.006 0.000 1.267 465 I HN 0.785 nan 8.210 nan 0.000 0.430 466 G N 3.663 112.558 108.800 0.158 0.000 2.289 466 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.280 466 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.280 466 G C -0.496 174.541 174.900 0.228 0.000 1.089 466 G CA -0.086 45.171 45.100 0.263 0.000 0.939 466 G HN 0.743 nan 8.290 nan 0.000 0.499 467 D N -0.977 119.555 120.400 0.220 0.000 2.312 467 D HA 0.442 5.082 4.640 -0.000 0.000 0.248 467 D C 0.904 177.331 176.300 0.212 0.000 1.086 467 D CA -0.573 53.557 54.000 0.216 0.000 0.948 467 D CB 0.444 41.397 40.800 0.254 0.000 1.162 467 D HN 0.345 nan 8.370 nan 0.000 0.446 468 H N 0.826 119.936 119.070 0.067 0.000 3.195 468 H HA 0.178 4.734 4.556 -0.000 0.000 0.302 468 H C 1.520 176.879 175.328 0.051 0.000 0.950 468 H CA 2.023 58.076 56.048 0.009 0.000 1.398 468 H CB 0.060 29.826 29.762 0.007 0.000 1.377 468 H HN 0.645 nan 8.280 nan 0.000 0.572 469 G N 4.163 112.711 108.800 -0.420 0.000 2.212 469 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.266 469 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.266 469 G C 1.196 175.804 174.900 -0.487 0.000 0.978 469 G CA 0.619 45.357 45.100 -0.603 0.000 0.632 469 G HN 0.677 nan 8.290 nan 0.000 0.537 470 D N 0.957 121.261 120.400 -0.160 0.000 2.309 470 D HA -0.016 4.624 4.640 -0.000 0.000 0.212 470 D C 2.403 178.599 176.300 -0.173 0.000 0.968 470 D CA 1.279 55.291 54.000 0.020 0.000 0.882 470 D CB -0.066 40.915 40.800 0.301 0.000 0.918 470 D HN 0.782 nan 8.370 nan 0.000 0.503 471 E N 1.101 120.938 120.200 -0.606 0.000 2.216 471 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 471 E C 2.141 178.372 176.600 -0.616 0.000 0.988 471 E CA 0.202 55.900 56.400 -1.171 0.000 0.834 471 E CB -0.659 28.391 29.700 -1.084 0.000 0.772 471 E HN 0.294 nan 8.360 nan 0.000 0.479 472 L N 0.028 120.939 121.223 -0.520 0.000 2.129 472 L HA -0.161 4.178 4.340 -0.000 0.000 0.212 472 L C 2.643 179.372 176.870 -0.235 0.000 1.087 472 L CA 1.597 56.212 54.840 -0.375 0.000 0.757 472 L CB -0.697 41.028 42.059 -0.557 0.000 0.896 472 L HN 0.039 nan 8.230 nan 0.000 0.434 473 F N -0.640 119.284 119.950 -0.044 0.000 2.146 473 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 473 F C 2.711 178.544 175.800 0.055 0.000 1.096 473 F CA 1.087 59.112 58.000 0.042 0.000 1.275 473 F CB -0.293 38.857 39.000 0.250 0.000 1.008 473 F HN -0.024 nan 8.300 nan 0.000 0.480 474 S N -0.142 115.654 115.700 0.162 0.000 2.395 474 S HA -0.097 4.373 4.470 -0.000 0.000 0.225 474 S C 2.173 176.673 174.600 -0.168 0.000 1.027 474 S CA 0.817 59.047 58.200 0.051 0.000 0.965 474 S CB -0.272 62.975 63.200 0.078 0.000 0.812 474 S HN 0.077 nan 8.310 nan 0.000 0.482 475 V N 0.524 120.222 119.914 -0.360 0.000 2.343 475 V HA -0.095 4.025 4.120 -0.000 0.000 0.247 475 V C 1.315 177.100 176.094 -0.514 0.000 1.051 475 V CA 1.562 63.490 62.300 -0.621 0.000 1.036 475 V CB -0.624 30.795 31.823 -0.674 0.000 0.654 475 V HN 0.461 nan 8.190 nan 0.000 0.451 476 F N 0.619 120.423 119.950 -0.243 0.000 2.660 476 F HA 0.490 5.017 4.527 -0.000 0.000 0.297 476 F C 1.573 177.325 175.800 -0.079 0.000 1.132 476 F CA 0.251 58.140 58.000 -0.185 0.000 1.372 476 F CB -0.436 38.419 39.000 -0.241 0.000 1.003 476 F HN 0.227 nan 8.300 nan 0.000 0.524 477 G N 1.138 109.987 108.800 0.080 0.000 2.352 477 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.283 477 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.283 477 G C 1.096 176.152 174.900 0.259 0.000 0.946 477 G CA 0.318 45.554 45.100 0.226 0.000 1.317 477 G HN 0.592 nan 8.290 nan 0.000 0.478 478 A N 1.290 124.208 122.820 0.164 0.000 1.929 478 A HA 0.217 4.537 4.320 -0.000 0.000 0.216 478 A C 0.637 178.167 177.584 -0.089 0.000 1.176 478 A CA 1.805 53.766 52.037 -0.127 0.000 0.628 478 A CB -0.564 18.148 19.000 -0.479 0.000 0.816 478 A HN 0.486 nan 8.150 nan 0.000 0.444 479 P HA -0.123 nan 4.420 nan 0.000 0.222 479 P C 0.446 177.654 177.300 -0.154 0.000 1.142 479 P CA 0.973 64.147 63.100 0.122 0.000 0.788 479 P CB -0.152 31.476 31.700 -0.120 0.000 0.767 480 F N -2.646 117.365 119.950 0.100 0.000 2.749 480 F HA 0.190 4.717 4.527 -0.000 0.000 0.300 480 F C 1.823 177.668 175.800 0.075 0.000 1.103 480 F CA 0.385 58.453 58.000 0.113 0.000 1.342 480 F CB -0.173 38.928 39.000 0.168 0.000 1.098 480 F HN -0.170 nan 8.300 nan 0.000 0.586 481 L N -1.322 119.997 121.223 0.160 0.000 2.586 481 L HA 0.210 4.550 4.340 -0.000 0.000 0.204 481 L C 0.813 177.698 176.870 0.026 0.000 1.053 481 L CA 0.155 55.043 54.840 0.080 0.000 0.856 481 L CB -0.133 41.946 42.059 0.034 0.000 1.192 481 L HN -0.228 nan 8.230 nan 0.000 0.484 482 K N 1.006 121.378 120.400 -0.047 0.000 2.102 482 K HA 0.198 4.518 4.320 -0.000 0.000 0.244 482 K C -0.167 176.501 176.600 0.113 0.000 1.021 482 K CA -0.287 55.989 56.287 -0.018 0.000 0.913 482 K CB 1.033 33.412 32.500 -0.203 0.000 1.062 482 K HN -0.016 nan 8.250 nan 0.000 0.485 483 E N -0.599 119.677 120.200 0.126 0.000 2.212 483 E HA 0.330 4.680 4.350 -0.000 0.000 0.270 483 E C 0.122 176.780 176.600 0.097 0.000 0.956 483 E CA -0.247 56.210 56.400 0.096 0.000 0.825 483 E CB 1.302 31.033 29.700 0.052 0.000 1.167 483 E HN 0.700 nan 8.360 nan 0.000 0.400 484 G N 2.188 111.005 108.800 0.027 0.000 2.253 484 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.209 484 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.209 484 G C 0.265 175.097 174.900 -0.113 0.000 0.997 484 G CA -0.120 44.953 45.100 -0.046 0.000 0.640 484 G HN 0.876 nan 8.290 nan 0.000 0.496 485 A N 1.239 124.006 122.820 -0.089 0.000 2.548 485 A HA 0.574 4.894 4.320 -0.000 0.000 0.247 485 A C 1.221 178.740 177.584 -0.108 0.000 1.067 485 A CA 1.284 53.237 52.037 -0.141 0.000 0.757 485 A CB -0.018 18.965 19.000 -0.028 0.000 0.996 485 A HN 2.038 nan 8.150 nan 0.000 0.504 486 S N 1.583 117.219 115.700 -0.108 0.000 2.633 486 S HA 0.204 4.674 4.470 -0.000 0.000 0.257 486 S C 1.019 175.578 174.600 -0.069 0.000 1.265 486 S CA 0.509 58.666 58.200 -0.072 0.000 0.980 486 S CB 0.508 63.676 63.200 -0.053 0.000 1.017 486 S HN 0.761 nan 8.310 nan 0.000 0.577 487 E N 0.452 120.621 120.200 -0.052 0.000 2.046 487 E HA -0.125 4.225 4.350 -0.000 0.000 0.190 487 E C 2.003 178.570 176.600 -0.055 0.000 0.982 487 E CA 1.696 58.065 56.400 -0.052 0.000 0.800 487 E CB -0.517 29.162 29.700 -0.034 0.000 0.756 487 E HN 0.789 nan 8.360 nan 0.000 0.449 488 E N 0.545 120.720 120.200 -0.041 0.000 2.038 488 E HA -0.318 4.032 4.350 -0.000 0.000 0.195 488 E C 2.054 178.598 176.600 -0.093 0.000 1.000 488 E CA 1.685 58.055 56.400 -0.051 0.000 0.803 488 E CB -0.231 29.460 29.700 -0.016 0.000 0.750 488 E HN 0.408 nan 8.360 nan 0.000 0.448 489 E N 0.568 120.738 120.200 -0.050 0.000 2.070 489 E HA -0.208 4.142 4.350 -0.000 0.000 0.197 489 E C 2.222 178.763 176.600 -0.099 0.000 1.004 489 E CA 1.884 58.245 56.400 -0.064 0.000 0.805 489 E CB -0.297 29.440 29.700 0.062 0.000 0.744 489 E HN 0.435 nan 8.360 nan 0.000 0.451 490 I N 0.116 120.613 120.570 -0.123 0.000 2.361 490 I HA -0.218 3.952 4.170 -0.000 0.000 0.251 490 I C 2.818 178.880 176.117 -0.092 0.000 1.133 490 I CA 0.919 62.095 61.300 -0.208 0.000 1.413 490 I CB -0.285 37.527 38.000 -0.314 0.000 1.073 490 I HN 0.133 nan 8.210 nan 0.000 0.424 491 R N 0.625 121.079 120.500 -0.076 0.000 2.066 491 R HA -0.173 4.167 4.340 -0.000 0.000 0.232 491 R C 2.343 178.606 176.300 -0.063 0.000 1.131 491 R CA 1.330 57.402 56.100 -0.047 0.000 0.955 491 R CB -0.298 29.969 30.300 -0.056 0.000 0.851 491 R HN 0.196 nan 8.270 nan 0.000 0.432 492 L N 0.361 121.505 121.223 -0.131 0.000 2.079 492 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 492 L C 2.185 179.012 176.870 -0.072 0.000 1.081 492 L CA 2.148 56.887 54.840 -0.168 0.000 0.752 492 L CB -0.725 41.087 42.059 -0.411 0.000 0.896 492 L HN 0.096 nan 8.230 nan 0.000 0.433 493 S N -0.887 114.797 115.700 -0.027 0.000 2.368 493 S HA -0.239 4.231 4.470 -0.000 0.000 0.224 493 S C 2.206 176.832 174.600 0.044 0.000 1.029 493 S CA 1.503 59.733 58.200 0.049 0.000 0.988 493 S CB -0.325 62.961 63.200 0.143 0.000 0.838 493 S HN 0.557 nan 8.310 nan 0.000 0.462 494 K N 0.303 120.750 120.400 0.077 0.000 2.103 494 K HA -0.113 4.207 4.320 -0.000 0.000 0.207 494 K C 2.289 178.863 176.600 -0.043 0.000 1.048 494 K CA 1.706 58.001 56.287 0.014 0.000 0.930 494 K CB -0.254 32.295 32.500 0.081 0.000 0.716 494 K HN 0.557 nan 8.250 nan 0.000 0.444 495 M N 0.169 119.747 119.600 -0.037 0.000 2.064 495 M HA -0.177 4.303 4.480 -0.000 0.000 0.260 495 M C 1.776 178.085 176.300 0.015 0.000 1.073 495 M CA 1.654 56.913 55.300 -0.068 0.000 1.124 495 M CB -0.062 32.515 32.600 -0.039 0.000 1.326 495 M HN -0.038 nan 8.290 nan 0.000 0.410 496 V N 1.283 121.235 119.914 0.063 0.000 2.252 496 V HA -0.366 3.754 4.120 -0.000 0.000 0.249 496 V C 2.534 178.642 176.094 0.024 0.000 1.056 496 V CA 2.517 64.849 62.300 0.053 0.000 1.022 496 V CB -0.996 30.653 31.823 -0.291 0.000 0.641 496 V HN 0.607 nan 8.190 nan 0.000 0.445 497 M N -0.333 119.204 119.600 -0.105 0.000 2.110 497 M HA -0.307 4.173 4.480 -0.000 0.000 0.257 497 M C 2.421 178.764 176.300 0.072 0.000 1.071 497 M CA 2.496 57.746 55.300 -0.083 0.000 1.096 497 M CB -0.650 31.866 32.600 -0.140 0.000 1.300 497 M HN 0.265 nan 8.290 nan 0.000 0.411 498 K N 0.046 120.466 120.400 0.033 0.000 2.074 498 K HA -0.184 4.136 4.320 -0.000 0.000 0.209 498 K C 1.817 178.506 176.600 0.148 0.000 1.048 498 K CA 1.665 57.974 56.287 0.036 0.000 0.926 498 K CB -0.260 32.201 32.500 -0.065 0.000 0.713 498 K HN 0.216 nan 8.250 nan 0.000 0.444 499 F N -0.186 119.891 119.950 0.212 0.000 2.069 499 F HA -0.280 4.247 4.527 -0.000 0.000 0.298 499 F C 2.392 178.353 175.800 0.269 0.000 1.113 499 F CA 0.950 59.126 58.000 0.293 0.000 1.214 499 F CB -0.172 39.141 39.000 0.522 0.000 0.978 499 F HN 0.260 nan 8.300 nan 0.000 0.474 500 W N 0.029 121.426 121.300 0.161 0.000 2.333 500 W HA -0.272 4.388 4.660 -0.000 0.000 0.316 500 W C 2.615 179.134 176.519 -0.000 0.000 1.215 500 W CA 1.098 58.440 57.345 -0.005 0.000 1.278 500 W CB -0.695 28.689 29.460 -0.126 0.000 1.154 500 W HN 0.032 nan 8.180 nan 0.000 0.486 501 A N 0.604 123.545 122.820 0.202 0.000 1.877 501 A HA -0.241 4.079 4.320 -0.000 0.000 0.216 501 A C 1.678 179.306 177.584 0.073 0.000 1.186 501 A CA 1.987 54.074 52.037 0.084 0.000 0.620 501 A CB -1.187 17.848 19.000 0.058 0.000 0.822 501 A HN 0.257 nan 8.150 nan 0.000 0.443 502 N N -0.955 117.808 118.700 0.105 0.000 2.137 502 N HA -0.176 4.564 4.740 -0.000 0.000 0.190 502 N C 1.314 176.841 175.510 0.028 0.000 1.017 502 N CA 1.610 54.702 53.050 0.070 0.000 0.859 502 N CB -0.596 37.959 38.487 0.113 0.000 1.002 502 N HN 0.567 nan 8.380 nan 0.000 0.428 503 F N 1.173 121.045 119.950 -0.130 0.000 2.113 503 F HA 0.004 4.531 4.527 -0.000 0.000 0.297 503 F C 2.105 177.809 175.800 -0.161 0.000 1.103 503 F CA 1.282 59.133 58.000 -0.248 0.000 1.248 503 F CB -0.481 38.266 39.000 -0.421 0.000 0.999 503 F HN 0.030 nan 8.300 nan 0.000 0.475 504 A N 0.327 123.114 122.820 -0.055 0.000 2.070 504 A HA -0.135 4.185 4.320 -0.000 0.000 0.220 504 A C 2.321 179.822 177.584 -0.139 0.000 1.159 504 A CA 1.441 53.410 52.037 -0.115 0.000 0.656 504 A CB -0.660 18.320 19.000 -0.033 0.000 0.800 504 A HN 0.472 nan 8.150 nan 0.000 0.453 505 R N -0.484 119.948 120.500 -0.113 0.000 2.051 505 R HA 0.023 4.363 4.340 -0.000 0.000 0.225 505 R C 0.780 177.009 176.300 -0.119 0.000 1.155 505 R CA 1.357 57.407 56.100 -0.084 0.000 0.945 505 R CB -0.135 30.141 30.300 -0.041 0.000 0.840 505 R HN 0.516 nan 8.270 nan 0.000 0.432 506 N N -0.532 118.084 118.700 -0.140 0.000 2.203 506 N HA 0.068 4.808 4.740 -0.000 0.000 0.207 506 N C 0.174 175.557 175.510 -0.211 0.000 1.130 506 N CA 0.694 53.665 53.050 -0.132 0.000 0.861 506 N CB 1.676 40.121 38.487 -0.070 0.000 1.005 506 N HN 0.391 nan 8.380 nan 0.000 0.507 507 G N 2.100 110.648 108.800 -0.419 0.000 2.305 507 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.287 507 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.287 507 G C -0.226 174.461 174.900 -0.355 0.000 1.036 507 G CA 0.255 44.980 45.100 -0.625 0.000 0.887 507 G HN 0.472 nan 8.290 nan 0.000 0.505 508 N N -0.765 117.741 118.700 -0.323 0.000 2.648 508 N HA 0.298 5.038 4.740 -0.000 0.000 0.272 508 N C -1.451 173.919 175.510 -0.233 0.000 1.118 508 N CA -1.122 51.791 53.050 -0.229 0.000 0.973 508 N CB 1.946 40.420 38.487 -0.022 0.000 1.565 508 N HN -0.064 nan 8.380 nan 0.000 0.542 509 P HA -0.098 nan 4.420 nan 0.000 0.218 509 P C 0.092 177.521 177.300 0.215 0.000 1.149 509 P CA 0.719 63.685 63.100 -0.223 0.000 0.817 509 P CB 0.295 31.423 31.700 -0.952 0.000 0.785 510 N N 0.438 119.224 118.700 0.143 0.000 2.237 510 N HA 0.163 4.903 4.740 -0.000 0.000 0.222 510 N C 1.191 176.824 175.510 0.206 0.000 1.311 510 N CA 1.563 54.794 53.050 0.302 0.000 0.880 510 N CB -0.001 38.633 38.487 0.245 0.000 1.106 510 N HN 0.236 nan 8.380 nan 0.000 0.435 511 G N -0.727 108.177 108.800 0.174 0.000 2.512 511 G HA2 0.241 4.201 3.960 -0.000 0.000 0.186 511 G HA3 0.241 4.201 3.960 -0.000 0.000 0.186 511 G C -1.644 173.296 174.900 0.067 0.000 1.189 511 G CA -0.395 44.755 45.100 0.083 0.000 0.994 511 G HN 0.531 nan 8.290 nan 0.000 0.506 512 E N -0.556 119.657 120.200 0.021 0.000 2.222 512 E HA 0.512 4.862 4.350 -0.000 0.000 0.267 512 E C 0.580 177.173 176.600 -0.011 0.000 0.884 512 E CA 0.243 56.656 56.400 0.020 0.000 0.764 512 E CB 1.201 30.913 29.700 0.019 0.000 1.169 512 E HN 2.030 nan 8.360 nan 0.000 0.413 513 G N 3.594 112.395 108.800 0.001 0.000 2.143 513 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.248 513 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.248 513 G C -0.329 174.539 174.900 -0.053 0.000 0.991 513 G CA 0.469 45.559 45.100 -0.018 0.000 0.689 513 G HN 0.376 nan 8.290 nan 0.000 0.522 514 L N -0.233 120.959 121.223 -0.051 0.000 2.386 514 L HA 0.524 4.864 4.340 -0.000 0.000 0.271 514 L C -2.089 174.852 176.870 0.118 0.000 0.993 514 L CA -2.467 52.302 54.840 -0.118 0.000 0.819 514 L CB 1.869 43.632 42.059 -0.494 0.000 1.294 514 L HN -0.168 nan 8.230 nan 0.000 0.414 515 P HA -0.054 nan 4.420 nan 0.000 0.265 515 P C -0.711 176.824 177.300 0.392 0.000 1.187 515 P CA 0.016 63.268 63.100 0.254 0.000 0.766 515 P CB 0.218 32.038 31.700 0.201 0.000 0.820 516 H N 2.450 121.657 119.070 0.228 0.000 2.929 516 H HA 0.093 4.649 4.556 -0.000 0.000 0.317 516 H C -0.883 174.624 175.328 0.297 0.000 1.031 516 H CA 0.154 56.362 56.048 0.266 0.000 1.466 516 H CB 0.169 30.038 29.762 0.179 0.000 1.482 516 H HN 0.377 nan 8.280 nan 0.000 0.561 517 W N 9.825 130.852 121.300 -0.454 0.000 2.283 517 W HA 0.278 4.938 4.660 -0.000 0.000 0.317 517 W C -2.667 173.598 176.519 -0.424 0.000 1.042 517 W CA -3.121 54.021 57.345 -0.339 0.000 1.348 517 W CB 0.838 30.128 29.460 -0.282 0.000 1.216 517 W HN 0.596 nan 8.180 nan 0.000 0.404 518 P HA 0.019 nan 4.420 nan 0.000 0.272 518 P C -0.431 177.080 177.300 0.350 0.000 1.223 518 P CA 0.196 63.448 63.100 0.253 0.000 0.784 518 P CB 1.258 33.106 31.700 0.246 0.000 0.923 519 E N 1.455 121.755 120.200 0.166 0.000 2.316 519 E HA 0.004 4.354 4.350 -0.000 0.000 0.275 519 E C -0.769 175.826 176.600 -0.009 0.000 1.029 519 E CA -0.564 55.752 56.400 -0.140 0.000 0.871 519 E CB 0.155 29.761 29.700 -0.156 0.000 1.022 519 E HN 0.349 nan 8.360 nan 0.000 0.418 520 Y N 6.330 126.533 120.300 -0.162 0.000 2.576 520 Y HA 0.020 4.570 4.550 -0.000 0.000 0.348 520 Y C -0.402 175.478 175.900 -0.033 0.000 1.212 520 Y CA -0.082 58.012 58.100 -0.011 0.000 1.683 520 Y CB -0.622 37.848 38.460 0.017 0.000 1.484 520 Y HN 0.508 nan 8.280 nan 0.000 0.477 521 N N 0.827 119.406 118.700 -0.201 0.000 3.040 521 N HA 0.148 4.888 4.740 -0.000 0.000 0.339 521 N C 0.684 176.040 175.510 -0.256 0.000 1.387 521 N CA -0.489 52.459 53.050 -0.171 0.000 0.745 521 N CB 0.152 38.590 38.487 -0.082 0.000 1.237 521 N HN 0.204 nan 8.380 nan 0.000 0.565 522 Q N -0.374 119.340 119.800 -0.144 0.000 2.181 522 Q HA -0.094 4.246 4.340 -0.000 0.000 0.205 522 Q C 1.237 177.159 176.000 -0.131 0.000 0.980 522 Q CA 1.463 57.191 55.803 -0.125 0.000 0.862 522 Q CB -0.471 28.229 28.738 -0.063 0.000 0.905 522 Q HN 0.529 nan 8.270 nan 0.000 0.429 523 K N 0.932 121.265 120.400 -0.111 0.000 2.365 523 K HA -0.068 4.252 4.320 -0.000 0.000 0.199 523 K C -0.126 176.416 176.600 -0.097 0.000 1.045 523 K CA 0.225 56.472 56.287 -0.067 0.000 0.962 523 K CB 0.224 32.711 32.500 -0.023 0.000 0.759 523 K HN 0.235 nan 8.250 nan 0.000 0.469 524 E N -0.799 119.237 120.200 -0.273 0.000 2.320 524 E HA -0.169 4.181 4.350 -0.000 0.000 0.234 524 E C -0.221 176.396 176.600 0.029 0.000 1.183 524 E CA 0.289 56.404 56.400 -0.476 0.000 0.713 524 E CB -2.167 27.372 29.700 -0.268 0.000 1.226 524 E HN 0.432 nan 8.360 nan 0.000 0.382 525 G N 1.149 110.003 108.800 0.091 0.000 2.364 525 G HA2 0.398 4.357 3.960 -0.000 0.000 0.267 525 G HA3 0.398 4.357 3.960 -0.000 0.000 0.267 525 G C -0.227 174.950 174.900 0.462 0.000 1.233 525 G CA -0.176 45.061 45.100 0.228 0.000 0.885 525 G HN 0.317 nan 8.290 nan 0.000 0.490 526 Y N 1.039 121.492 120.300 0.254 0.000 2.633 526 Y HA 0.769 5.319 4.550 -0.000 0.000 0.339 526 Y C -1.127 174.761 175.900 -0.020 0.000 1.045 526 Y CA -2.097 56.152 58.100 0.248 0.000 1.098 526 Y CB 1.821 40.415 38.460 0.222 0.000 1.296 526 Y HN 0.462 nan 8.280 nan 0.000 0.494 527 L N 2.560 123.657 121.223 -0.211 0.000 2.296 527 L HA 0.424 4.764 4.340 -0.000 0.000 0.286 527 L C -0.800 175.908 176.870 -0.270 0.000 1.023 527 L CA -0.891 53.539 54.840 -0.683 0.000 0.812 527 L CB 1.623 42.529 42.059 -1.922 0.000 1.223 527 L HN 0.788 nan 8.230 nan 0.000 0.421 528 Q N 6.539 126.201 119.800 -0.231 0.000 2.553 528 Q HA 0.345 4.685 4.340 -0.000 0.000 0.221 528 Q C -0.561 175.382 176.000 -0.095 0.000 1.219 528 Q CA -0.140 55.645 55.803 -0.030 0.000 0.955 528 Q CB 0.462 29.177 28.738 -0.037 0.000 1.399 528 Q HN 0.615 nan 8.270 nan 0.000 0.551 529 I N 1.213 121.740 120.570 -0.072 0.000 2.634 529 I HA 0.382 4.552 4.170 -0.000 0.000 0.284 529 I C 0.954 176.941 176.117 -0.217 0.000 1.124 529 I CA 0.263 61.492 61.300 -0.118 0.000 1.417 529 I CB 0.851 38.836 38.000 -0.024 0.000 1.396 529 I HN 0.695 nan 8.210 nan 0.000 0.571 530 G N 3.106 111.746 108.800 -0.267 0.000 2.404 530 G HA2 0.322 4.282 3.960 -0.000 0.000 0.253 530 G HA3 0.322 4.282 3.960 -0.000 0.000 0.253 530 G C 0.171 174.923 174.900 -0.247 0.000 1.253 530 G CA 0.040 44.939 45.100 -0.336 0.000 0.917 530 G HN 0.610 nan 8.290 nan 0.000 0.480 531 A N -0.225 122.513 122.820 -0.136 0.000 1.834 531 A HA 0.088 4.408 4.320 -0.000 0.000 0.216 531 A C 1.170 178.705 177.584 -0.082 0.000 1.203 531 A CA 1.692 53.673 52.037 -0.094 0.000 0.621 531 A CB -0.575 18.433 19.000 0.013 0.000 0.841 531 A HN 0.499 nan 8.150 nan 0.000 0.446 532 N N 1.268 119.935 118.700 -0.054 0.000 3.083 532 N HA 0.157 4.897 4.740 -0.000 0.000 0.260 532 N C -1.077 174.403 175.510 -0.050 0.000 1.163 532 N CA 0.056 53.081 53.050 -0.042 0.000 1.060 532 N CB 0.488 38.959 38.487 -0.026 0.000 1.345 532 N HN 0.245 nan 8.380 nan 0.000 0.515 533 T N 2.645 117.166 114.554 -0.055 0.000 2.761 533 T HA 0.015 4.365 4.350 -0.000 0.000 0.287 533 T C 0.577 175.249 174.700 -0.046 0.000 0.931 533 T CA 0.203 62.268 62.100 -0.059 0.000 1.164 533 T CB 0.218 69.074 68.868 -0.021 0.000 0.876 533 T HN 0.422 nan 8.240 nan 0.000 0.534 534 Q N 2.022 121.771 119.800 -0.085 0.000 2.462 534 Q HA 0.692 5.032 4.340 -0.000 0.000 0.285 534 Q C -1.285 174.619 176.000 -0.161 0.000 1.035 534 Q CA -1.156 54.599 55.803 -0.080 0.000 0.799 534 Q CB 1.892 30.600 28.738 -0.051 0.000 1.452 534 Q HN 0.515 nan 8.270 nan 0.000 0.404 535 A N 0.882 123.615 122.820 -0.146 0.000 2.296 535 A HA 0.850 5.170 4.320 -0.000 0.000 0.264 535 A C -0.281 177.133 177.584 -0.284 0.000 1.097 535 A CA 0.483 52.382 52.037 -0.230 0.000 0.811 535 A CB 0.360 19.302 19.000 -0.096 0.000 1.072 535 A HN 1.203 nan 8.150 nan 0.000 0.495 536 A N -0.542 121.995 122.820 -0.471 0.000 2.765 536 A HA 0.757 5.077 4.320 -0.000 0.000 0.305 536 A C -1.004 176.364 177.584 -0.360 0.000 1.229 536 A CA -0.500 51.253 52.037 -0.473 0.000 0.653 536 A CB 0.811 19.385 19.000 -0.710 0.000 1.375 536 A HN 0.820 nan 8.150 nan 0.000 0.540 537 Q N -0.206 119.535 119.800 -0.098 0.000 2.418 537 Q HA 0.510 4.850 4.340 -0.000 0.000 0.282 537 Q C -1.694 174.532 176.000 0.377 0.000 1.044 537 Q CA -0.984 54.917 55.803 0.164 0.000 0.813 537 Q CB 2.226 31.010 28.738 0.077 0.000 1.428 537 Q HN 0.630 nan 8.270 nan 0.000 0.402 538 K N 1.300 121.903 120.400 0.339 0.000 5.760 538 K HA -0.217 4.103 4.320 -0.000 0.000 0.466 538 K C -1.064 175.681 176.600 0.243 0.000 1.122 538 K CA 0.060 56.493 56.287 0.245 0.000 1.299 538 K CB -0.700 31.885 32.500 0.141 0.000 1.874 538 K HN 0.397 nan 8.250 nan 0.000 0.355 539 L N 3.458 124.738 121.223 0.095 0.000 2.292 539 L HA 0.209 4.549 4.340 -0.000 0.000 0.284 539 L C 0.529 177.367 176.870 -0.054 0.000 1.065 539 L CA 0.156 54.851 54.840 -0.241 0.000 0.806 539 L CB 0.938 42.565 42.059 -0.721 0.000 1.175 539 L HN 0.477 nan 8.230 nan 0.000 0.431 540 K N 2.759 123.144 120.400 -0.026 0.000 2.960 540 K HA -0.301 4.019 4.320 -0.000 0.000 0.259 540 K C 0.853 177.505 176.600 0.087 0.000 1.025 540 K CA 1.170 57.485 56.287 0.046 0.000 0.756 540 K CB -1.343 31.188 32.500 0.052 0.000 1.221 540 K HN 0.950 nan 8.250 nan 0.000 0.483 541 D N 1.014 121.464 120.400 0.083 0.000 2.133 541 D HA -0.143 4.497 4.640 -0.000 0.000 0.195 541 D C 1.656 178.013 176.300 0.095 0.000 0.997 541 D CA 1.763 55.819 54.000 0.094 0.000 0.840 541 D CB 0.212 41.063 40.800 0.086 0.000 0.947 541 D HN 0.481 nan 8.370 nan 0.000 0.452 542 K N -0.364 120.083 120.400 0.078 0.000 2.025 542 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 542 K C 2.195 178.868 176.600 0.121 0.000 1.049 542 K CA 1.194 57.522 56.287 0.067 0.000 0.933 542 K CB -0.024 32.483 32.500 0.012 0.000 0.714 542 K HN 0.084 nan 8.250 nan 0.000 0.438 543 E N 0.543 120.839 120.200 0.160 0.000 2.012 543 E HA -0.162 4.188 4.350 -0.000 0.000 0.197 543 E C 1.941 178.773 176.600 0.388 0.000 1.007 543 E CA 1.161 57.752 56.400 0.317 0.000 0.816 543 E CB -0.424 29.508 29.700 0.386 0.000 0.762 543 E HN -0.043 nan 8.360 nan 0.000 0.451 544 V N 0.979 121.067 119.914 0.290 0.000 2.527 544 V HA -0.328 3.792 4.120 -0.000 0.000 0.255 544 V C 2.032 178.252 176.094 0.210 0.000 1.081 544 V CA 1.840 64.289 62.300 0.249 0.000 1.092 544 V CB -0.910 31.013 31.823 0.167 0.000 0.673 544 V HN 0.358 nan 8.190 nan 0.000 0.470 545 A N -0.464 122.463 122.820 0.179 0.000 1.855 545 A HA -0.110 4.210 4.320 -0.000 0.000 0.213 545 A C 2.029 179.682 177.584 0.115 0.000 1.195 545 A CA 1.491 53.606 52.037 0.129 0.000 0.610 545 A CB -0.650 18.414 19.000 0.107 0.000 0.837 545 A HN 0.464 nan 8.150 nan 0.000 0.444 546 F N -0.307 119.628 119.950 -0.026 0.000 2.011 546 F HA -0.244 4.283 4.527 -0.000 0.000 0.296 546 F C 2.079 177.774 175.800 -0.174 0.000 1.144 546 F CA 1.998 59.901 58.000 -0.162 0.000 1.185 546 F CB -0.979 37.829 39.000 -0.320 0.000 0.961 546 F HN 0.389 nan 8.300 nan 0.000 0.485 547 W N 0.609 121.753 121.300 -0.261 0.000 2.321 547 W HA -0.238 4.422 4.660 -0.000 0.000 0.306 547 W C 2.652 179.036 176.519 -0.224 0.000 1.217 547 W CA 1.977 59.080 57.345 -0.404 0.000 1.257 547 W CB -1.336 28.089 29.460 -0.058 0.000 1.145 547 W HN -0.047 nan 8.180 nan 0.000 0.509 548 T N 0.502 115.153 114.554 0.161 0.000 2.778 548 T HA -0.224 4.126 4.350 -0.000 0.000 0.269 548 T C 1.431 176.157 174.700 0.044 0.000 1.050 548 T CA 1.682 63.873 62.100 0.151 0.000 1.137 548 T CB -0.385 68.553 68.868 0.117 0.000 0.860 548 T HN 0.171 nan 8.240 nan 0.000 0.468 549 N N 0.970 119.611 118.700 -0.098 0.000 2.148 549 N HA 0.026 4.766 4.740 -0.000 0.000 0.186 549 N C 1.818 177.207 175.510 -0.200 0.000 1.031 549 N CA 0.618 53.587 53.050 -0.135 0.000 0.848 549 N CB -0.766 37.626 38.487 -0.159 0.000 1.005 549 N HN 0.206 nan 8.380 nan 0.000 0.427 550 L N 0.814 121.759 121.223 -0.465 0.000 1.990 550 L HA -0.094 4.246 4.340 -0.000 0.000 0.213 550 L C 2.003 178.799 176.870 -0.123 0.000 1.072 550 L CA 1.586 56.155 54.840 -0.452 0.000 0.755 550 L CB -0.796 40.755 42.059 -0.848 0.000 0.889 550 L HN 0.083 nan 8.230 nan 0.000 0.432 551 F N -0.826 119.091 119.950 -0.055 0.000 2.333 551 F HA -0.161 4.366 4.527 -0.000 0.000 0.300 551 F C 2.343 178.134 175.800 -0.014 0.000 1.083 551 F CA 0.374 58.373 58.000 -0.002 0.000 1.395 551 F CB -0.404 38.609 39.000 0.022 0.000 1.056 551 F HN 0.231 nan 8.300 nan 0.000 0.529 552 A N -0.022 122.881 122.820 0.138 0.000 2.186 552 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 552 A C 1.192 178.812 177.584 0.059 0.000 1.159 552 A CA 0.780 52.863 52.037 0.076 0.000 0.680 552 A CB -0.434 18.586 19.000 0.034 0.000 0.787 552 A HN 0.370 nan 8.150 nan 0.000 0.467 553 K N 0.000 120.439 120.400 0.065 0.000 2.780 553 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 553 K CA 0.000 56.317 56.287 0.049 0.000 0.838 553 K CB 0.000 32.538 32.500 0.063 0.000 1.064 553 K HN 0.000 nan 8.250 nan 0.000 0.543