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 2ijz_1_E DATA FIRST_RESID 9 DATA SEQUENCE LIDFLKASPT PFHATASLAR RLEAAGYRRL DEXXXXXXXX GGRYYVTRND DATA SEQUENCE SSLIAIRLGX XSPLESGFRL VGAHTDSPCL RVKPNPEIAR NGFLQLGVEV DATA SEQUENCE YGGALFAPWF DRDLSLAGRV TFRANGKLES RLVDFRKAIA VIPNLNXXXX DATA SEQUENCE XXXXXXXPIN AQNELPPIIA QLAPGEXXXX XXXXXXXXXX XXXXTADVVL DATA SEQUENCE DYELSFYDTQ SAAVVGLNDE FIAGARLDNL LSCHAGLEAL LNAEGDENCI DATA SEQUENCE LVCTDHEEVG SCSHCGADGP FLEQVLRRLL PEGDAFSRAI QRSLLVSADN DATA SEQUENCE AHGVHPNYAD RHDANHGPAL NGGPVIKINS NQRYATNSET AGFFRHLCQD DATA SEQUENCE SEVPVQSFVT RSDMGCGSTI GPITASQVGV RTVDIGLPTF AMHSIRELAG DATA SEQUENCE SHDLAHLVKV LGAFYASS 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 9 L HA 0.000 nan 4.340 nan 0.000 0.249 9 L C 0.000 176.752 176.870 -0.196 0.000 1.165 9 L CA 0.000 54.595 54.840 -0.408 0.000 0.813 9 L CB 0.000 nan 42.059 nan 0.000 0.961 10 I N 0.617 121.064 120.570 -0.204 0.000 2.330 10 I HA 0.784 4.955 4.170 0.001 0.000 0.289 10 I C -0.139 175.952 176.117 -0.043 0.000 1.001 10 I CA -0.000 61.254 61.300 -0.077 0.000 1.193 10 I CB 1.453 39.431 38.000 -0.037 0.000 1.345 10 I HN 0.615 nan 8.210 nan 0.000 0.461 11 D N 6.799 127.205 120.400 0.011 0.000 3.071 11 D HA 0.133 4.774 4.640 0.001 0.000 0.259 11 D C 0.172 176.543 176.300 0.119 0.000 1.331 11 D CA 0.389 54.409 54.000 0.033 0.000 0.861 11 D CB 0.072 40.887 40.800 0.025 0.000 1.059 11 D HN 0.577 nan 8.370 nan 0.000 0.486 12 F N 0.306 120.226 119.950 -0.050 0.000 2.581 12 F HA 0.199 4.726 4.527 0.001 0.000 0.278 12 F C 1.273 177.047 175.800 -0.044 0.000 1.000 12 F CA 0.007 57.983 58.000 -0.039 0.000 1.230 12 F CB 0.163 39.140 39.000 -0.037 0.000 1.008 12 F HN 0.025 nan 8.300 nan 0.000 0.695 13 L N -0.449 120.711 121.223 -0.105 0.000 2.509 13 L HA 0.247 4.588 4.340 0.001 0.000 0.222 13 L C 1.817 178.592 176.870 -0.158 0.000 1.123 13 L CA 0.872 55.592 54.840 -0.200 0.000 0.856 13 L CB -0.444 41.562 42.059 -0.087 0.000 0.985 13 L HN 0.060 nan 8.230 nan 0.000 0.456 14 K N 1.784 122.122 120.400 -0.102 0.000 2.243 14 K HA 0.149 4.470 4.320 0.001 0.000 0.201 14 K C 1.602 178.163 176.600 -0.065 0.000 1.051 14 K CA 1.171 57.415 56.287 -0.071 0.000 0.970 14 K CB -0.086 32.386 32.500 -0.047 0.000 0.755 14 K HN 0.394 nan 8.250 nan 0.000 0.465 15 A N -0.234 122.527 122.820 -0.098 0.000 2.412 15 A HA 0.200 4.520 4.320 0.001 0.000 0.253 15 A C 1.035 178.526 177.584 -0.155 0.000 1.334 15 A CA 0.164 52.145 52.037 -0.094 0.000 0.929 15 A CB -0.201 18.757 19.000 -0.070 0.000 0.983 15 A HN 0.251 nan 8.150 nan 0.000 0.508 16 S N 0.446 116.042 115.700 -0.174 0.000 2.691 16 S HA 0.079 4.550 4.470 0.001 0.000 0.241 16 S C -0.798 173.729 174.600 -0.121 0.000 1.077 16 S CA 0.580 58.666 58.200 -0.191 0.000 0.900 16 S CB -0.342 62.696 63.200 -0.270 0.000 0.805 16 S HN 0.543 nan 8.310 nan 0.000 0.529 17 P HA 0.084 nan 4.420 nan 0.000 0.231 17 P C 0.941 178.230 177.300 -0.018 0.000 1.168 17 P CA 1.059 64.081 63.100 -0.131 0.000 0.779 17 P CB -0.288 31.317 31.700 -0.159 0.000 0.844 18 T N 1.398 115.994 114.554 0.070 0.000 2.643 18 T HA -0.040 4.311 4.350 0.001 0.000 0.264 18 T C -0.645 174.109 174.700 0.090 0.000 1.045 18 T CA 2.253 64.432 62.100 0.131 0.000 1.155 18 T CB -1.798 67.114 68.868 0.072 0.000 0.863 18 T HN 0.251 nan 8.240 nan 0.000 0.420 19 P HA 0.052 nan 4.420 nan 0.000 0.223 19 P C 1.114 178.432 177.300 0.030 0.000 1.151 19 P CA 0.448 63.563 63.100 0.025 0.000 0.787 19 P CB -0.135 31.567 31.700 0.002 0.000 0.788 20 F N 0.386 120.258 119.950 -0.131 0.000 2.084 20 F HA -0.184 4.343 4.527 0.001 0.000 0.296 20 F C 2.191 177.905 175.800 -0.143 0.000 1.111 20 F CA 1.769 59.660 58.000 -0.181 0.000 1.224 20 F CB -0.952 37.881 39.000 -0.279 0.000 0.991 20 F HN -0.025 nan 8.300 nan 0.000 0.471 21 H N -0.506 118.517 119.070 -0.079 0.000 2.422 21 H HA -0.095 4.461 4.556 0.001 0.000 0.298 21 H C 2.320 177.541 175.328 -0.177 0.000 1.098 21 H CA 1.123 57.074 56.048 -0.162 0.000 1.315 21 H CB -0.319 29.434 29.762 -0.016 0.000 1.382 21 H HN 0.385 nan 8.280 nan 0.000 0.523 22 A N 0.256 123.074 122.820 -0.004 0.000 1.930 22 A HA -0.179 4.141 4.320 0.001 0.000 0.217 22 A C 2.458 179.984 177.584 -0.098 0.000 1.175 22 A CA 1.891 53.907 52.037 -0.035 0.000 0.627 22 A CB -0.785 18.209 19.000 -0.011 0.000 0.815 22 A HN 0.578 nan 8.150 nan 0.000 0.443 23 T N -2.956 111.502 114.554 -0.161 0.000 2.978 23 T HA 0.347 4.697 4.350 0.001 0.000 0.262 23 T C 1.280 175.800 174.700 -0.301 0.000 1.063 23 T CA 0.830 62.812 62.100 -0.197 0.000 1.140 23 T CB -0.247 68.515 68.868 -0.176 0.000 0.886 23 T HN 0.574 nan 8.240 nan 0.000 0.470 24 A N 2.225 124.747 122.820 -0.497 0.000 3.105 24 A HA 0.520 4.841 4.320 0.001 0.000 0.272 24 A C 2.038 179.460 177.584 -0.270 0.000 1.466 24 A CA 0.176 51.879 52.037 -0.557 0.000 1.101 24 A CB -0.908 17.366 19.000 -1.210 0.000 1.065 24 A HN 0.580 nan 8.150 nan 0.000 0.643 25 S N -0.618 114.972 115.700 -0.184 0.000 2.399 25 S HA -0.016 4.454 4.470 0.001 0.000 0.231 25 S C 0.734 175.270 174.600 -0.107 0.000 1.022 25 S CA 1.047 59.176 58.200 -0.118 0.000 0.983 25 S CB -0.319 62.817 63.200 -0.106 0.000 0.803 25 S HN 0.502 nan 8.310 nan 0.000 0.480 26 L N -0.906 120.248 121.223 -0.115 0.000 2.305 26 L HA 0.835 5.176 4.340 0.001 0.000 0.261 26 L C 1.379 178.219 176.870 -0.052 0.000 1.100 26 L CA 0.060 54.846 54.840 -0.090 0.000 1.073 26 L CB 0.468 42.456 42.059 -0.118 0.000 1.656 26 L HN -0.019 nan 8.230 nan 0.000 0.536 27 A N -0.232 122.579 122.820 -0.014 0.000 1.898 27 A HA -0.044 4.276 4.320 0.001 0.000 0.214 27 A C 1.895 179.500 177.584 0.036 0.000 1.183 27 A CA 1.462 53.522 52.037 0.038 0.000 0.622 27 A CB -0.529 18.519 19.000 0.081 0.000 0.824 27 A HN 0.729 nan 8.150 nan 0.000 0.444 28 R N -1.625 118.890 120.500 0.025 0.000 2.210 28 R HA 0.140 4.480 4.340 0.001 0.000 0.203 28 R C 1.641 177.945 176.300 0.007 0.000 1.010 28 R CA 0.390 56.513 56.100 0.038 0.000 1.008 28 R CB -0.166 30.165 30.300 0.052 0.000 0.923 28 R HN 0.157 nan 8.270 nan 0.000 0.469 29 R N 1.051 121.524 120.500 -0.044 0.000 2.153 29 R HA 0.047 4.388 4.340 0.001 0.000 0.218 29 R C 2.109 178.319 176.300 -0.149 0.000 1.072 29 R CA 0.575 56.619 56.100 -0.092 0.000 0.990 29 R CB -0.527 29.703 30.300 -0.117 0.000 0.889 29 R HN 0.315 nan 8.270 nan 0.000 0.452 30 L N 0.991 122.135 121.223 -0.133 0.000 2.072 30 L HA -0.140 4.201 4.340 0.001 0.000 0.205 30 L C 2.330 179.188 176.870 -0.020 0.000 1.079 30 L CA 1.417 56.163 54.840 -0.158 0.000 0.752 30 L CB -0.111 41.912 42.059 -0.059 0.000 0.906 30 L HN 0.039 nan 8.230 nan 0.000 0.436 31 E N -0.001 120.217 120.200 0.030 0.000 2.077 31 E HA -0.228 4.122 4.350 0.001 0.000 0.193 31 E C 2.023 178.675 176.600 0.087 0.000 0.989 31 E CA 1.537 57.999 56.400 0.103 0.000 0.800 31 E CB -0.131 29.651 29.700 0.136 0.000 0.746 31 E HN 0.554 nan 8.360 nan 0.000 0.452 32 A N 0.622 123.432 122.820 -0.017 0.000 1.877 32 A HA -0.033 4.288 4.320 0.001 0.000 0.216 32 A C 2.389 179.683 177.584 -0.484 0.000 1.186 32 A CA 1.884 53.768 52.037 -0.255 0.000 0.620 32 A CB -0.933 17.998 19.000 -0.116 0.000 0.822 32 A HN 0.373 nan 8.150 nan 0.000 0.443 33 A N -0.657 122.016 122.820 -0.246 0.000 2.119 33 A HA 0.253 4.574 4.320 0.001 0.000 0.217 33 A C 2.201 179.789 177.584 0.008 0.000 1.153 33 A CA 1.551 53.498 52.037 -0.150 0.000 0.692 33 A CB -1.015 17.867 19.000 -0.197 0.000 0.799 33 A HN 0.630 nan 8.150 nan 0.000 0.458 34 G N -0.148 108.657 108.800 0.008 0.000 2.434 34 G HA2 -0.191 3.769 3.960 0.001 0.000 0.214 34 G HA3 -0.191 3.769 3.960 0.001 0.000 0.214 34 G C 1.478 176.320 174.900 -0.098 0.000 1.202 34 G CA 1.172 46.297 45.100 0.042 0.000 0.788 34 G HN 0.831 nan 8.290 nan 0.000 0.539 35 Y N 0.042 120.244 120.300 -0.163 0.000 2.516 35 Y HA 0.310 4.861 4.550 0.001 0.000 0.291 35 Y C 2.648 178.447 175.900 -0.168 0.000 1.131 35 Y CA 0.471 58.358 58.100 -0.354 0.000 1.281 35 Y CB -0.139 38.017 38.460 -0.506 0.000 1.013 35 Y HN -0.004 nan 8.280 nan 0.000 0.554 36 R N 0.453 120.697 120.500 -0.426 0.000 2.115 36 R HA -0.078 4.262 4.340 0.001 0.000 0.230 36 R C 2.374 178.624 176.300 -0.084 0.000 1.111 36 R CA 1.386 57.347 56.100 -0.231 0.000 0.976 36 R CB -0.159 29.967 30.300 -0.290 0.000 0.870 36 R HN 0.380 nan 8.270 nan 0.000 0.445 37 R N 0.399 120.846 120.500 -0.088 0.000 2.146 37 R HA 0.035 4.375 4.340 0.001 0.000 0.206 37 R C 0.446 176.715 176.300 -0.053 0.000 1.049 37 R CA 0.190 56.255 56.100 -0.059 0.000 1.029 37 R CB 0.082 30.340 30.300 -0.070 0.000 0.949 37 R HN 0.029 nan 8.270 nan 0.000 0.471 38 L N 3.951 125.125 121.223 -0.080 0.000 2.416 38 L HA 0.105 4.445 4.340 0.001 0.000 0.243 38 L C -1.558 175.287 176.870 -0.043 0.000 1.373 38 L CA 0.405 55.194 54.840 -0.084 0.000 1.227 38 L CB -0.302 41.675 42.059 -0.137 0.000 1.428 38 L HN 0.174 nan 8.230 nan 0.000 0.425 39 D N 2.353 122.768 120.400 0.025 0.000 2.804 39 D HA 0.251 4.891 4.640 0.001 0.000 0.209 39 D C -0.711 175.623 176.300 0.058 0.000 1.314 39 D CA -0.495 53.564 54.000 0.099 0.000 0.894 39 D CB 1.053 41.962 40.800 0.182 0.000 1.615 39 D HN 0.074 nan 8.370 nan 0.000 0.571 50 G N 0.188 108.912 108.800 -0.126 0.000 2.528 50 G HA2 0.642 4.603 3.960 0.001 0.000 0.289 50 G HA3 0.642 4.603 3.960 0.001 0.000 0.289 50 G C 0.308 174.945 174.900 -0.439 0.000 1.192 50 G CA -0.817 44.024 45.100 -0.431 0.000 0.921 50 G HN 0.724 nan 8.290 nan 0.000 0.512 51 R N -1.223 118.847 120.500 -0.718 0.000 2.522 51 R HA 0.225 4.566 4.340 0.001 0.000 0.418 51 R C -1.197 174.977 176.300 -0.211 0.000 0.973 51 R CA -0.835 55.072 56.100 -0.322 0.000 1.096 51 R CB -1.208 28.984 30.300 -0.181 0.000 1.449 51 R HN 0.403 nan 8.270 nan 0.000 0.622 52 Y N 1.093 121.435 120.300 0.070 0.000 2.299 52 Y HA 0.476 5.026 4.550 0.001 0.000 0.335 52 Y C 0.483 176.458 175.900 0.125 0.000 1.287 52 Y CA -0.763 57.355 58.100 0.031 0.000 1.424 52 Y CB 0.421 38.862 38.460 -0.031 0.000 1.326 52 Y HN 0.254 nan 8.280 nan 0.000 0.567 53 Y N -2.610 117.800 120.300 0.183 0.000 2.534 53 Y HA 0.783 5.334 4.550 0.001 0.000 0.345 53 Y C -1.847 174.092 175.900 0.065 0.000 1.031 53 Y CA -1.856 56.309 58.100 0.109 0.000 1.022 53 Y CB 0.675 39.188 38.460 0.087 0.000 1.292 53 Y HN 0.327 nan 8.280 nan 0.000 0.459 54 V N 2.322 122.357 119.914 0.201 0.000 2.513 54 V HA 0.414 4.535 4.120 0.001 0.000 0.299 54 V C -0.028 176.157 176.094 0.152 0.000 1.035 54 V CA -0.159 62.195 62.300 0.090 0.000 0.889 54 V CB 1.549 33.399 31.823 0.046 0.000 0.988 54 V HN 1.097 nan 8.190 nan 0.000 0.440 55 T N 1.691 116.300 114.554 0.091 0.000 3.038 55 T HA 0.161 4.511 4.350 0.001 0.000 0.244 55 T C 1.453 176.176 174.700 0.038 0.000 1.016 55 T CA 0.496 62.650 62.100 0.090 0.000 1.098 55 T CB 0.141 69.043 68.868 0.058 0.000 0.954 55 T HN 0.674 nan 8.240 nan 0.000 0.469 56 R N 0.947 121.449 120.500 0.003 0.000 3.692 56 R HA -0.324 4.016 4.340 0.001 0.000 0.302 56 R C 1.155 177.442 176.300 -0.022 0.000 0.595 56 R CA 2.226 58.315 56.100 -0.018 0.000 1.154 56 R CB -1.537 28.749 30.300 -0.023 0.000 0.832 56 R HN 0.425 nan 8.270 nan 0.000 0.575 57 N N 1.136 119.826 118.700 -0.017 0.000 2.398 57 N HA -0.069 4.672 4.740 0.001 0.000 0.188 57 N C -0.701 174.801 175.510 -0.013 0.000 1.122 57 N CA 1.059 54.092 53.050 -0.030 0.000 0.866 57 N CB 0.161 38.627 38.487 -0.035 0.000 0.970 57 N HN 0.373 nan 8.380 nan 0.000 0.462 58 D N -0.568 119.842 120.400 0.016 0.000 2.981 58 D HA -0.130 4.511 4.640 0.001 0.000 0.223 58 D C -0.015 176.327 176.300 0.071 0.000 1.151 58 D CA 0.786 54.815 54.000 0.048 0.000 0.827 58 D CB -1.362 39.460 40.800 0.035 0.000 1.101 58 D HN 0.275 nan 8.370 nan 0.000 0.426 59 S N -1.769 113.974 115.700 0.071 0.000 2.546 59 S HA 0.088 4.559 4.470 0.001 0.000 0.282 59 S C 0.206 174.870 174.600 0.108 0.000 1.074 59 S CA -0.182 58.073 58.200 0.091 0.000 1.254 59 S CB 1.151 64.403 63.200 0.088 0.000 1.103 59 S HN 0.104 nan 8.310 nan 0.000 0.589 60 S N 2.220 117.977 115.700 0.094 0.000 2.520 60 S HA 0.601 5.072 4.470 0.001 0.000 0.324 60 S C -0.983 173.676 174.600 0.098 0.000 1.069 60 S CA -0.384 57.881 58.200 0.108 0.000 1.121 60 S CB 1.323 64.573 63.200 0.084 0.000 0.971 60 S HN 0.293 nan 8.310 nan 0.000 0.463 61 L N 4.697 125.984 121.223 0.106 0.000 2.309 61 L HA 0.652 4.993 4.340 0.001 0.000 0.282 61 L C -1.092 175.851 176.870 0.123 0.000 1.036 61 L CA -0.305 54.607 54.840 0.121 0.000 0.806 61 L CB 0.883 43.007 42.059 0.109 0.000 1.220 61 L HN 0.590 nan 8.230 nan 0.000 0.429 62 I N 5.049 125.711 120.570 0.152 0.000 2.439 62 I HA 0.474 4.644 4.170 0.001 0.000 0.283 62 I C -0.402 175.828 176.117 0.188 0.000 1.023 62 I CA -0.540 60.854 61.300 0.157 0.000 1.100 62 I CB 1.797 39.884 38.000 0.145 0.000 1.238 62 I HN 0.706 nan 8.210 nan 0.000 0.445 63 A N 8.014 130.935 122.820 0.168 0.000 2.294 63 A HA 0.754 5.074 4.320 0.001 0.000 0.316 63 A C -0.462 177.212 177.584 0.150 0.000 1.359 63 A CA -0.306 51.838 52.037 0.178 0.000 0.956 63 A CB -0.171 18.899 19.000 0.115 0.000 1.155 63 A HN 0.599 nan 8.150 nan 0.000 0.544 64 I N 2.102 122.779 120.570 0.177 0.000 2.428 64 I HA 0.555 4.726 4.170 0.001 0.000 0.296 64 I C 0.623 176.812 176.117 0.120 0.000 0.985 64 I CA -0.318 61.089 61.300 0.178 0.000 1.260 64 I CB 1.184 39.324 38.000 0.235 0.000 1.389 64 I HN 0.619 nan 8.210 nan 0.000 0.484 65 R N 6.536 127.087 120.500 0.086 0.000 2.538 65 R HA 0.604 4.944 4.340 0.001 0.000 0.292 65 R C -2.005 174.302 176.300 0.012 0.000 1.008 65 R CA -0.591 55.505 56.100 -0.006 0.000 0.896 65 R CB 1.391 31.644 30.300 -0.079 0.000 1.187 65 R HN 0.697 nan 8.270 nan 0.000 0.440 66 L N 2.654 123.872 121.223 -0.010 0.000 2.334 66 L HA 0.749 5.089 4.340 0.001 0.000 0.275 66 L C 0.796 177.645 176.870 -0.036 0.000 1.036 66 L CA -0.709 54.131 54.840 -0.001 0.000 0.807 66 L CB 2.003 44.087 42.059 0.041 0.000 1.231 66 L HN 0.837 nan 8.230 nan 0.000 0.438 71 P HA 0.248 nan 4.420 nan 0.000 0.277 71 P C 0.972 178.230 177.300 -0.069 0.000 1.617 71 P CA 0.022 63.070 63.100 -0.087 0.000 0.829 71 P CB -0.165 31.488 31.700 -0.078 0.000 1.774 72 L N 0.040 121.225 121.223 -0.064 0.000 3.572 72 L HA -0.335 4.005 4.340 0.001 0.000 0.053 72 L C 1.147 177.996 176.870 -0.035 0.000 4.349 72 L CA 2.707 57.532 54.840 -0.026 0.000 0.629 72 L CB -1.325 40.733 42.059 -0.002 0.000 3.504 72 L HN 0.326 nan 8.230 nan 0.000 0.812 73 E N -0.429 119.750 120.200 -0.033 0.000 2.368 73 E HA 0.178 4.529 4.350 0.001 0.000 0.188 73 E C 1.339 177.914 176.600 -0.041 0.000 1.061 73 E CA 0.775 57.158 56.400 -0.028 0.000 0.933 73 E CB 0.455 30.146 29.700 -0.015 0.000 1.091 73 E HN 0.535 nan 8.360 nan 0.000 0.458 74 S N -0.087 115.570 115.700 -0.072 0.000 2.506 74 S HA 0.347 4.818 4.470 0.001 0.000 0.219 74 S C 0.971 175.512 174.600 -0.099 0.000 1.031 74 S CA 0.662 58.812 58.200 -0.084 0.000 0.911 74 S CB -0.010 63.125 63.200 -0.108 0.000 0.812 74 S HN 0.622 nan 8.310 nan 0.000 0.497 75 G N 0.475 109.201 108.800 -0.123 0.000 2.741 75 G HA2 -0.191 3.770 3.960 0.001 0.000 0.222 75 G HA3 -0.191 3.770 3.960 0.001 0.000 0.222 75 G C -0.582 174.203 174.900 -0.193 0.000 1.364 75 G CA -0.285 44.760 45.100 -0.091 0.000 0.866 75 G HN 0.396 nan 8.290 nan 0.000 0.555 76 F N -0.194 119.754 119.950 -0.003 0.000 2.575 76 F HA 0.780 5.308 4.527 0.001 0.000 0.330 76 F C 1.074 176.895 175.800 0.035 0.000 1.056 76 F CA -0.937 57.075 58.000 0.020 0.000 0.964 76 F CB 1.975 40.995 39.000 0.033 0.000 1.258 76 F HN 0.253 nan 8.300 nan 0.000 0.484 77 R N 2.897 123.593 120.500 0.327 0.000 2.868 77 R HA 0.331 4.672 4.340 0.001 0.000 0.289 77 R C -1.454 175.104 176.300 0.429 0.000 1.443 77 R CA -0.537 55.701 56.100 0.230 0.000 1.651 77 R CB 0.040 30.288 30.300 -0.087 0.000 1.242 77 R HN 0.446 nan 8.270 nan 0.000 0.621 78 L N 0.497 121.947 121.223 0.377 0.000 2.439 78 L HA 0.388 4.729 4.340 0.001 0.000 0.269 78 L C 0.536 177.573 176.870 0.279 0.000 1.179 78 L CA 0.016 55.013 54.840 0.262 0.000 0.828 78 L CB 0.825 42.936 42.059 0.086 0.000 1.106 78 L HN 0.016 nan 8.230 nan 0.000 0.467 79 V N 1.101 121.136 119.914 0.201 0.000 3.023 79 V HA 0.917 5.038 4.120 0.001 0.000 0.294 79 V C -0.691 175.447 176.094 0.073 0.000 1.324 79 V CA 0.299 62.649 62.300 0.083 0.000 0.979 79 V CB 1.959 33.832 31.823 0.085 0.000 1.093 79 V HN 0.891 nan 8.190 nan 0.000 0.434 80 G N 3.276 112.080 108.800 0.006 0.000 2.601 80 G HA2 0.972 4.933 3.960 0.001 0.000 0.291 80 G HA3 0.972 4.933 3.960 0.001 0.000 0.291 80 G C -1.238 173.633 174.900 -0.048 0.000 1.456 80 G CA 0.007 45.104 45.100 -0.005 0.000 0.804 80 G HN 1.880 nan 8.290 nan 0.000 0.499 81 A N 0.149 122.897 122.820 -0.120 0.000 2.589 81 A HA 0.789 5.109 4.320 0.001 0.000 0.296 81 A C -0.524 176.933 177.584 -0.211 0.000 1.062 81 A CA -0.568 51.392 52.037 -0.128 0.000 0.686 81 A CB 0.737 19.676 19.000 -0.101 0.000 1.282 81 A HN 2.015 nan 8.150 nan 0.000 0.404 82 H N -0.397 118.633 119.070 -0.067 0.000 2.679 82 H HA 0.539 5.096 4.556 0.001 0.000 0.369 82 H C 1.141 176.496 175.328 0.044 0.000 1.178 82 H CA 0.370 56.433 56.048 0.025 0.000 1.419 82 H CB 0.490 30.380 29.762 0.214 0.000 1.458 82 H HN 0.586 nan 8.280 nan 0.000 0.605 83 T N -1.920 112.749 114.554 0.192 0.000 3.033 83 T HA -0.035 4.315 4.350 0.001 0.000 0.248 83 T C 0.555 175.363 174.700 0.180 0.000 1.040 83 T CA 0.176 62.357 62.100 0.135 0.000 1.133 83 T CB -0.329 68.613 68.868 0.124 0.000 0.895 83 T HN 0.820 nan 8.240 nan 0.000 0.465 84 D N 2.677 123.251 120.400 0.289 0.000 2.357 84 D HA 0.334 4.975 4.640 0.001 0.000 0.242 84 D C -0.317 176.141 176.300 0.263 0.000 1.153 84 D CA -0.298 53.857 54.000 0.258 0.000 0.918 84 D CB 1.165 42.144 40.800 0.298 0.000 1.181 84 D HN 0.492 nan 8.370 nan 0.000 0.435 85 S N -1.026 114.778 115.700 0.173 0.000 2.536 85 S HA 0.482 4.953 4.470 0.001 0.000 0.271 85 S C -3.102 171.523 174.600 0.041 0.000 1.134 85 S CA -1.480 56.761 58.200 0.069 0.000 0.897 85 S CB 1.503 64.726 63.200 0.038 0.000 1.094 85 S HN 0.201 nan 8.310 nan 0.000 0.473 86 P HA 0.165 nan 4.420 nan 0.000 0.255 86 P C 0.019 177.325 177.300 0.011 0.000 1.173 86 P CA 0.080 63.120 63.100 -0.099 0.000 0.780 86 P CB -0.607 30.964 31.700 -0.216 0.000 0.758 87 C N 2.354 121.709 119.300 0.093 0.000 3.311 87 C HA 0.636 5.097 4.460 0.001 0.000 0.366 87 C C -1.120 173.887 174.990 0.028 0.000 1.694 87 C CA -1.060 57.980 59.018 0.037 0.000 1.244 87 C CB 0.308 28.047 27.740 -0.002 0.000 2.038 87 C HN 0.197 nan 8.230 nan 0.000 0.436 88 L N 2.042 123.236 121.223 -0.047 0.000 2.272 88 L HA 0.565 4.905 4.340 0.001 0.000 0.284 88 L C 0.325 177.116 176.870 -0.132 0.000 1.045 88 L CA 0.189 54.982 54.840 -0.079 0.000 0.842 88 L CB 0.318 42.310 42.059 -0.111 0.000 1.224 88 L HN 0.691 nan 8.230 nan 0.000 0.430 89 R N 2.560 122.982 120.500 -0.130 0.000 2.267 89 R HA 0.414 4.755 4.340 0.001 0.000 0.319 89 R C -0.865 175.342 176.300 -0.154 0.000 1.067 89 R CA -0.341 55.633 56.100 -0.211 0.000 0.936 89 R CB 0.546 30.658 30.300 -0.313 0.000 1.006 89 R HN 0.362 nan 8.270 nan 0.000 0.452 90 V N 5.681 125.515 119.914 -0.134 0.000 2.585 90 V HA 0.055 4.176 4.120 0.001 0.000 0.296 90 V C 0.764 176.824 176.094 -0.056 0.000 1.035 90 V CA -0.082 62.172 62.300 -0.075 0.000 1.084 90 V CB 0.543 32.351 31.823 -0.024 0.000 0.953 90 V HN 0.760 nan 8.190 nan 0.000 0.483 91 K N 5.395 125.773 120.400 -0.037 0.000 2.286 91 K HA 0.132 4.453 4.320 0.001 0.000 0.256 91 K C -1.447 175.151 176.600 -0.004 0.000 0.999 91 K CA -0.998 55.275 56.287 -0.023 0.000 0.908 91 K CB 0.030 32.523 32.500 -0.011 0.000 0.981 91 K HN 0.372 nan 8.250 nan 0.000 0.500 92 P HA -0.223 nan 4.420 nan 0.000 0.206 92 P C -0.347 176.965 177.300 0.021 0.000 1.142 92 P CA 1.544 64.653 63.100 0.015 0.000 0.946 92 P CB 0.181 31.890 31.700 0.015 0.000 0.777 93 N N -1.331 117.381 118.700 0.019 0.000 2.790 93 N HA 0.180 4.921 4.740 0.001 0.000 0.256 93 N C -2.545 172.977 175.510 0.019 0.000 1.409 93 N CA -0.689 52.378 53.050 0.028 0.000 0.799 93 N CB 1.270 39.761 38.487 0.006 0.000 1.170 93 N HN 0.166 nan 8.380 nan 0.000 0.507 94 P HA 0.235 nan 4.420 nan 0.000 0.206 94 P C -0.560 176.769 177.300 0.047 0.000 1.854 94 P CA -0.193 62.925 63.100 0.031 0.000 0.969 94 P CB 0.175 31.892 31.700 0.028 0.000 1.843 95 E N 1.740 121.963 120.200 0.038 0.000 2.081 95 E HA 0.172 4.523 4.350 0.001 0.000 0.270 95 E C 0.139 176.762 176.600 0.038 0.000 1.180 95 E CA 0.027 56.457 56.400 0.050 0.000 0.926 95 E CB 0.638 30.348 29.700 0.017 0.000 1.035 95 E HN 0.469 nan 8.360 nan 0.000 0.418 96 I N 2.138 122.741 120.570 0.056 0.000 2.405 96 I HA 0.261 4.432 4.170 0.001 0.000 0.280 96 I C 0.053 176.208 176.117 0.063 0.000 1.027 96 I CA -0.690 60.641 61.300 0.051 0.000 1.161 96 I CB 1.391 39.423 38.000 0.054 0.000 1.300 96 I HN 0.282 nan 8.210 nan 0.000 0.463 97 A N 7.517 130.364 122.820 0.045 0.000 2.341 97 A HA 0.665 4.986 4.320 0.001 0.000 0.326 97 A C -0.066 177.531 177.584 0.022 0.000 1.402 97 A CA -0.452 51.608 52.037 0.038 0.000 0.957 97 A CB 0.141 19.153 19.000 0.020 0.000 1.151 97 A HN 0.722 nan 8.150 nan 0.000 0.533 98 R N 2.456 122.981 120.500 0.041 0.000 2.561 98 R HA 0.372 4.713 4.340 0.001 0.000 0.297 98 R C -0.471 175.795 176.300 -0.057 0.000 0.969 98 R CA -0.853 55.261 56.100 0.024 0.000 0.879 98 R CB 1.177 31.525 30.300 0.080 0.000 1.178 98 R HN 0.791 nan 8.270 nan 0.000 0.445 99 N N 1.266 119.871 118.700 -0.159 0.000 2.714 99 N HA -0.214 4.526 4.740 0.001 0.000 0.250 99 N C 0.626 175.606 175.510 -0.883 0.000 1.117 99 N CA 1.551 54.372 53.050 -0.382 0.000 0.719 99 N CB -0.999 37.360 38.487 -0.212 0.000 1.081 99 N HN 1.131 nan 8.380 nan 0.000 0.557 100 G N -1.829 106.642 108.800 -0.548 0.000 2.179 100 G HA2 -0.321 3.640 3.960 0.001 0.000 0.260 100 G HA3 -0.321 3.640 3.960 0.001 0.000 0.260 100 G C -0.048 174.609 174.900 -0.405 0.000 0.977 100 G CA 0.417 45.226 45.100 -0.485 0.000 0.641 100 G HN 0.454 nan 8.290 nan 0.000 0.533 101 F N -0.175 119.780 119.950 0.007 0.000 2.443 101 F HA 0.688 5.216 4.527 0.001 0.000 0.335 101 F C 0.572 176.380 175.800 0.013 0.000 1.104 101 F CA -1.234 56.770 58.000 0.006 0.000 1.013 101 F CB 1.684 40.689 39.000 0.007 0.000 1.136 101 F HN 0.021 nan 8.300 nan 0.000 0.470 102 L N 3.642 124.979 121.223 0.189 0.000 2.292 102 L HA 0.403 4.743 4.340 0.001 0.000 0.284 102 L C -0.699 176.247 176.870 0.127 0.000 1.065 102 L CA -0.118 54.796 54.840 0.123 0.000 0.806 102 L CB 0.976 43.087 42.059 0.087 0.000 1.175 102 L HN 0.697 nan 8.230 nan 0.000 0.431 103 Q N 4.869 124.741 119.800 0.120 0.000 2.413 103 Q HA 0.568 4.909 4.340 0.001 0.000 0.276 103 Q C -1.510 174.561 176.000 0.118 0.000 1.099 103 Q CA -0.846 55.028 55.803 0.118 0.000 0.814 103 Q CB 3.069 31.866 28.738 0.099 0.000 1.379 103 Q HN 0.558 nan 8.270 nan 0.000 0.436 104 L N 1.319 122.620 121.223 0.130 0.000 2.345 104 L HA 0.466 4.806 4.340 0.001 0.000 0.274 104 L C 0.421 177.318 176.870 0.044 0.000 0.999 104 L CA -0.803 54.100 54.840 0.105 0.000 0.849 104 L CB 1.550 43.702 42.059 0.155 0.000 1.220 104 L HN 0.726 nan 8.230 nan 0.000 0.422 105 G N 2.643 111.460 108.800 0.029 0.000 2.414 105 G HA2 0.355 4.316 3.960 0.001 0.000 0.236 105 G HA3 0.355 4.316 3.960 0.001 0.000 0.236 105 G C -0.115 174.773 174.900 -0.020 0.000 1.293 105 G CA -0.117 44.985 45.100 0.003 0.000 0.869 105 G HN 0.441 nan 8.290 nan 0.000 0.556 106 V N 0.089 119.981 119.914 -0.038 0.000 2.823 106 V HA 0.651 4.771 4.120 0.001 0.000 0.312 106 V C -0.270 175.798 176.094 -0.043 0.000 1.072 106 V CA -1.387 60.878 62.300 -0.058 0.000 0.937 106 V CB 2.055 33.825 31.823 -0.089 0.000 1.013 106 V HN 0.757 nan 8.190 nan 0.000 0.430 107 E N 1.589 121.763 120.200 -0.044 0.000 2.266 107 E HA 0.461 4.811 4.350 0.001 0.000 0.277 107 E C -0.709 175.893 176.600 0.004 0.000 1.018 107 E CA -0.817 55.573 56.400 -0.017 0.000 0.840 107 E CB 2.200 31.889 29.700 -0.017 0.000 1.082 107 E HN 0.638 nan 8.360 nan 0.000 0.395 108 V N 4.155 124.078 119.914 0.016 0.000 2.055 108 V HA -0.034 4.086 4.120 0.001 0.000 0.248 108 V C -0.381 175.739 176.094 0.043 0.000 1.476 108 V CA -0.124 62.187 62.300 0.019 0.000 1.417 108 V CB -1.579 30.248 31.823 0.005 0.000 1.465 108 V HN 0.520 nan 8.190 nan 0.000 0.502 109 Y N 3.687 123.945 120.300 -0.069 0.000 2.402 109 Y HA 0.507 5.058 4.550 0.001 0.000 0.333 109 Y C 1.099 176.963 175.900 -0.061 0.000 1.076 109 Y CA 1.264 59.320 58.100 -0.074 0.000 1.299 109 Y CB 0.435 38.830 38.460 -0.109 0.000 1.197 109 Y HN 0.770 nan 8.280 nan 0.000 0.517 110 G N 3.695 112.135 108.800 -0.599 0.000 2.512 110 G HA2 -0.175 3.785 3.960 0.001 0.000 0.254 110 G HA3 -0.175 3.785 3.960 0.001 0.000 0.254 110 G C 0.321 175.127 174.900 -0.156 0.000 1.199 110 G CA -0.412 44.408 45.100 -0.466 0.000 0.941 110 G HN 1.286 nan 8.290 nan 0.000 0.569 111 G N -0.336 108.451 108.800 -0.021 0.000 2.634 111 G HA2 0.694 4.655 3.960 0.001 0.000 0.255 111 G HA3 0.694 4.655 3.960 0.001 0.000 0.255 111 G C 0.840 175.769 174.900 0.048 0.000 1.205 111 G CA 1.245 46.440 45.100 0.158 0.000 0.884 111 G HN 1.929 nan 8.290 nan 0.000 0.549 112 A N -0.410 122.420 122.820 0.015 0.000 3.893 112 A HA 0.818 5.139 4.320 0.001 0.000 0.178 112 A C 0.561 178.114 177.584 -0.051 0.000 1.767 112 A CA 0.321 52.342 52.037 -0.027 0.000 1.675 112 A CB -0.561 18.404 19.000 -0.059 0.000 1.358 112 A HN 1.409 nan 8.150 nan 0.000 0.477 113 L N -4.204 116.915 121.223 -0.174 0.000 0.586 113 L HA -0.206 4.134 4.340 0.001 0.000 0.356 113 L C 0.434 177.180 176.870 -0.206 0.000 0.937 113 L CA -0.021 54.613 54.840 -0.343 0.000 1.223 113 L CB -0.793 41.174 42.059 -0.153 0.000 0.018 113 L HN 0.722 nan 8.230 nan 0.000 0.091 114 F N 0.447 120.506 119.950 0.182 0.000 2.100 114 F HA 0.326 4.853 4.527 -0.001 0.000 0.280 114 F C 1.688 177.780 175.800 0.487 0.000 1.276 114 F CA 0.809 58.997 58.000 0.314 0.000 1.109 114 F CB -0.698 38.351 39.000 0.082 0.000 0.982 114 F HN 0.567 nan 8.300 nan 0.000 0.506 115 A N 2.044 125.205 122.820 0.569 0.000 2.526 115 A HA 0.148 4.469 4.320 0.001 0.000 0.267 115 A C -1.476 176.254 177.584 0.244 0.000 1.095 115 A CA -0.967 51.304 52.037 0.390 0.000 0.775 115 A CB -1.052 18.091 19.000 0.240 0.000 1.036 115 A HN 0.331 nan 8.150 nan 0.000 0.510 116 P HA -0.259 nan 4.420 nan 0.000 0.235 116 P C 0.166 177.567 177.300 0.169 0.000 1.024 116 P CA 1.838 65.001 63.100 0.104 0.000 1.059 116 P CB -0.472 31.223 31.700 -0.009 0.000 0.714 117 W N -1.306 120.110 121.300 0.193 0.000 2.484 117 W HA 0.128 4.789 4.660 0.001 0.000 0.337 117 W C 1.100 177.909 176.519 0.483 0.000 1.214 117 W CA 0.806 58.336 57.345 0.308 0.000 1.296 117 W CB -0.797 28.863 29.460 0.334 0.000 1.174 117 W HN 0.057 nan 8.180 nan 0.000 0.564 118 F N -0.904 119.195 119.950 0.248 0.000 2.183 118 F HA -0.358 4.169 4.527 0.001 0.000 0.318 118 F C 0.762 176.620 175.800 0.097 0.000 0.587 118 F CA 0.314 58.405 58.000 0.152 0.000 0.912 118 F CB -1.643 37.444 39.000 0.144 0.000 4.135 118 F HN 0.495 nan 8.300 nan 0.000 0.137 119 D N -0.825 119.767 120.400 0.319 0.000 10.890 119 D HA -0.148 4.492 4.640 0.001 0.000 0.359 119 D C 0.695 177.066 176.300 0.118 0.000 3.118 119 D CA 0.695 54.802 54.000 0.179 0.000 2.613 119 D CB -0.142 40.746 40.800 0.146 0.000 1.178 119 D HN 0.460 nan 8.370 nan 0.000 0.941 120 R N 0.840 121.395 120.500 0.091 0.000 2.070 120 R HA -0.072 4.269 4.340 0.001 0.000 0.233 120 R C -0.003 176.353 176.300 0.093 0.000 1.137 120 R CA 1.486 57.631 56.100 0.076 0.000 0.945 120 R CB -0.640 29.697 30.300 0.061 0.000 0.845 120 R HN 0.662 nan 8.270 nan 0.000 0.430 121 D N -0.342 120.110 120.400 0.087 0.000 10.484 121 D HA -0.176 4.464 4.640 0.001 0.000 0.318 121 D C -0.660 175.748 176.300 0.180 0.000 3.002 121 D CA 0.761 54.820 54.000 0.099 0.000 2.679 121 D CB -0.130 40.746 40.800 0.125 0.000 1.149 121 D HN 0.108 nan 8.370 nan 0.000 0.891 122 L N 0.604 121.888 121.223 0.101 0.000 2.549 122 L HA 0.392 4.732 4.340 0.001 0.000 0.259 122 L C -0.788 176.062 176.870 -0.034 0.000 0.934 122 L CA -0.341 54.598 54.840 0.165 0.000 0.865 122 L CB 2.200 44.316 42.059 0.096 0.000 1.352 122 L HN 0.393 nan 8.230 nan 0.000 0.410 123 S N 5.016 120.758 115.700 0.069 0.000 2.548 123 S HA 0.722 5.193 4.470 0.001 0.000 0.277 123 S C -0.193 174.300 174.600 -0.178 0.000 1.315 123 S CA -0.357 57.809 58.200 -0.055 0.000 1.050 123 S CB 0.316 63.738 63.200 0.369 0.000 0.918 123 S HN 0.548 nan 8.310 nan 0.000 0.497 124 L N 0.939 121.708 121.223 -0.756 0.000 2.568 124 L HA 1.012 5.352 4.340 0.001 0.000 0.257 124 L C -0.642 175.468 176.870 -1.266 0.000 1.024 124 L CA -1.024 53.347 54.840 -0.782 0.000 0.854 124 L CB 1.218 43.061 42.059 -0.360 0.000 1.460 124 L HN 0.828 nan 8.230 nan 0.000 0.409 125 A N 0.119 122.560 122.820 -0.632 0.000 2.468 125 A HA 0.412 4.732 4.320 0.001 0.000 0.615 125 A C -0.241 177.401 177.584 0.096 0.000 0.480 125 A CA -0.235 51.645 52.037 -0.261 0.000 0.271 125 A CB -1.862 16.983 19.000 -0.259 0.000 3.450 125 A HN 1.967 nan 8.150 nan 0.000 0.563 126 G N -0.439 108.461 108.800 0.166 0.000 2.372 126 G HA2 0.584 4.545 3.960 0.001 0.000 0.283 126 G HA3 0.584 4.545 3.960 0.001 0.000 0.283 126 G C -0.069 174.961 174.900 0.215 0.000 1.177 126 G CA 0.364 45.568 45.100 0.174 0.000 0.842 126 G HN 1.017 nan 8.290 nan 0.000 0.503 127 R N 2.352 122.933 120.500 0.136 0.000 2.439 127 R HA 0.427 4.767 4.340 0.001 0.000 0.310 127 R C -1.157 175.137 176.300 -0.011 0.000 0.955 127 R CA -0.598 55.527 56.100 0.041 0.000 0.853 127 R CB 1.724 32.008 30.300 -0.026 0.000 1.171 127 R HN 0.310 nan 8.270 nan 0.000 0.449 128 V N 5.305 125.190 119.914 -0.047 0.000 2.372 128 V HA 0.115 4.236 4.120 0.001 0.000 0.261 128 V C 0.754 176.760 176.094 -0.146 0.000 1.055 128 V CA -0.246 62.006 62.300 -0.079 0.000 0.930 128 V CB 0.756 32.528 31.823 -0.085 0.000 1.031 128 V HN 0.949 nan 8.190 nan 0.000 0.479 129 T N 1.924 116.415 114.554 -0.105 0.000 2.754 129 T HA 0.406 4.757 4.350 0.001 0.000 0.286 129 T C -0.026 174.595 174.700 -0.132 0.000 0.997 129 T CA -0.493 61.540 62.100 -0.113 0.000 0.982 129 T CB 0.368 69.235 68.868 -0.001 0.000 1.027 129 T HN 0.195 nan 8.240 nan 0.000 0.529 130 F N 1.578 121.528 119.950 0.001 0.000 2.650 130 F HA 0.368 4.896 4.527 0.001 0.000 0.338 130 F C 1.735 177.536 175.800 0.001 0.000 1.311 130 F CA 0.039 58.041 58.000 0.002 0.000 1.106 130 F CB -0.635 38.367 39.000 0.003 0.000 1.500 130 F HN 0.643 nan 8.300 nan 0.000 0.670 131 R N 1.702 122.274 120.500 0.121 0.000 2.555 131 R HA 0.227 4.567 4.340 0.001 0.000 0.050 131 R C -0.035 176.285 176.300 0.034 0.000 0.500 131 R CA 0.502 56.650 56.100 0.079 0.000 0.738 131 R CB -0.584 29.758 30.300 0.069 0.000 0.868 131 R HN 0.428 nan 8.270 nan 0.000 0.584 132 A N 1.482 124.308 122.820 0.011 0.000 2.475 132 A HA -0.218 4.102 4.320 0.001 0.000 0.295 132 A C -0.788 176.788 177.584 -0.014 0.000 1.457 132 A CA 1.405 53.435 52.037 -0.012 0.000 0.734 132 A CB -1.611 17.386 19.000 -0.006 0.000 1.118 132 A HN 0.540 nan 8.150 nan 0.000 0.400 133 N N 0.339 119.027 118.700 -0.020 0.000 2.425 133 N HA 0.522 5.262 4.740 0.001 0.000 0.289 133 N C -0.215 175.284 175.510 -0.018 0.000 1.074 133 N CA 0.406 53.449 53.050 -0.012 0.000 0.905 133 N CB 1.828 40.318 38.487 0.004 0.000 1.586 133 N HN 0.906 nan 8.380 nan 0.000 0.490 134 G N 1.965 110.757 108.800 -0.013 0.000 2.356 134 G HA2 0.494 4.455 3.960 0.001 0.000 0.322 134 G HA3 0.494 4.455 3.960 0.001 0.000 0.322 134 G C -0.933 173.977 174.900 0.016 0.000 1.125 134 G CA -0.327 44.770 45.100 -0.006 0.000 0.885 134 G HN 0.615 nan 8.290 nan 0.000 0.467 135 K N 1.119 121.537 120.400 0.030 0.000 2.542 135 K HA 0.467 4.788 4.320 0.001 0.000 0.259 135 K C -1.127 175.517 176.600 0.074 0.000 0.932 135 K CA -0.795 55.520 56.287 0.047 0.000 0.820 135 K CB 1.743 34.266 32.500 0.039 0.000 1.345 135 K HN 0.448 nan 8.250 nan 0.000 0.432 136 L N 0.139 121.408 121.223 0.078 0.000 2.334 136 L HA 0.830 5.171 4.340 0.001 0.000 0.272 136 L C -0.584 176.339 176.870 0.088 0.000 1.020 136 L CA -0.487 54.411 54.840 0.096 0.000 0.812 136 L CB 1.559 43.655 42.059 0.062 0.000 1.264 136 L HN 0.610 nan 8.230 nan 0.000 0.439 137 E N 0.158 120.428 120.200 0.117 0.000 2.375 137 E HA 0.797 5.147 4.350 0.001 0.000 0.280 137 E C -1.248 175.405 176.600 0.087 0.000 0.972 137 E CA 0.046 56.506 56.400 0.100 0.000 0.782 137 E CB 2.123 31.894 29.700 0.119 0.000 1.229 137 E HN 0.993 nan 8.360 nan 0.000 0.439 138 S N 2.044 117.773 115.700 0.049 0.000 3.070 138 S HA 0.893 5.363 4.470 0.001 0.000 0.320 138 S C -0.973 173.648 174.600 0.036 0.000 1.215 138 S CA -0.549 57.664 58.200 0.023 0.000 0.956 138 S CB 1.008 64.183 63.200 -0.043 0.000 1.337 138 S HN 0.736 nan 8.310 nan 0.000 0.639 139 R N -0.171 120.343 120.500 0.023 0.000 0.970 139 R HA 0.117 4.458 4.340 0.001 0.000 0.431 139 R C -1.305 175.022 176.300 0.045 0.000 1.364 139 R CA 0.660 56.775 56.100 0.025 0.000 1.167 139 R CB -1.348 28.960 30.300 0.014 0.000 3.395 139 R HN 1.910 nan 8.270 nan 0.000 0.514 140 L N 1.810 123.056 121.223 0.040 0.000 0.674 140 L HA -0.107 4.234 4.340 0.001 0.000 0.368 140 L C -1.025 175.880 176.870 0.059 0.000 1.003 140 L CA 0.921 55.785 54.840 0.039 0.000 1.214 140 L CB -0.462 41.615 42.059 0.030 0.000 0.502 140 L HN 0.768 nan 8.230 nan 0.000 0.301 141 V N 4.819 124.760 119.914 0.044 0.000 2.470 141 V HA 0.339 4.460 4.120 0.001 0.000 0.276 141 V C 0.794 176.894 176.094 0.011 0.000 1.040 141 V CA 1.394 63.726 62.300 0.054 0.000 1.008 141 V CB 1.074 32.920 31.823 0.038 0.000 0.990 141 V HN 0.850 nan 8.190 nan 0.000 0.477 142 D N 4.707 125.114 120.400 0.013 0.000 2.449 142 D HA 0.279 4.919 4.640 0.001 0.000 0.255 142 D C -0.554 175.454 176.300 -0.487 0.000 1.121 142 D CA 0.203 54.043 54.000 -0.267 0.000 0.830 142 D CB 0.422 40.961 40.800 -0.435 0.000 1.280 142 D HN 0.527 nan 8.370 nan 0.000 0.522 143 F N 0.388 120.334 119.950 -0.006 0.000 2.598 143 F HA 0.685 5.213 4.527 0.001 0.000 0.327 143 F C 0.189 175.969 175.800 -0.032 0.000 1.057 143 F CA -0.892 57.097 58.000 -0.018 0.000 0.957 143 F CB 1.720 40.712 39.000 -0.014 0.000 1.278 143 F HN -0.498 nan 8.300 nan 0.000 0.484 144 R N 0.465 121.050 120.500 0.141 0.000 2.664 144 R HA 0.376 4.716 4.340 0.001 0.000 0.266 144 R C -1.783 174.508 176.300 -0.014 0.000 1.046 144 R CA -1.177 54.946 56.100 0.038 0.000 0.885 144 R CB 2.689 32.973 30.300 -0.027 0.000 1.254 144 R HN 0.589 nan 8.270 nan 0.000 0.465 145 K N 1.297 121.672 120.400 -0.041 0.000 2.521 145 K HA 0.462 4.783 4.320 0.001 0.000 0.248 145 K C -0.753 175.849 176.600 0.003 0.000 0.978 145 K CA -0.322 55.908 56.287 -0.095 0.000 0.947 145 K CB 2.019 34.373 32.500 -0.244 0.000 1.165 145 K HN 0.593 nan 8.250 nan 0.000 0.445 146 A N 3.467 126.283 122.820 -0.007 0.000 2.304 146 A HA 0.576 4.897 4.320 0.001 0.000 0.271 146 A C -0.464 177.311 177.584 0.319 0.000 1.091 146 A CA -0.506 51.538 52.037 0.011 0.000 0.812 146 A CB 0.431 19.376 19.000 -0.091 0.000 1.056 146 A HN 0.801 nan 8.150 nan 0.000 0.489 147 I N -0.306 120.405 120.570 0.235 0.000 2.957 147 I HA 0.669 4.840 4.170 0.001 0.000 0.310 147 I C 0.396 176.567 176.117 0.090 0.000 1.063 147 I CA -0.849 60.594 61.300 0.239 0.000 1.033 147 I CB 2.017 40.107 38.000 0.151 0.000 1.230 147 I HN 0.758 nan 8.210 nan 0.000 0.447 148 A N 3.431 126.268 122.820 0.029 0.000 2.302 148 A HA 0.580 4.901 4.320 0.001 0.000 0.285 148 A C 0.189 177.767 177.584 -0.011 0.000 1.105 148 A CA 0.095 52.140 52.037 0.013 0.000 0.816 148 A CB 0.995 20.001 19.000 0.011 0.000 1.067 148 A HN 0.756 nan 8.150 nan 0.000 0.489 149 V N -0.972 118.941 119.914 -0.002 0.000 3.629 149 V HA 0.188 4.308 4.120 0.001 0.000 0.194 149 V C 1.499 177.586 176.094 -0.010 0.000 1.343 149 V CA 0.140 62.436 62.300 -0.007 0.000 1.292 149 V CB -0.925 30.906 31.823 0.012 0.000 1.287 149 V HN 0.618 nan 8.190 nan 0.000 0.554 150 I N 1.539 122.108 120.570 -0.002 0.000 2.546 150 I HA 0.046 4.217 4.170 0.001 0.000 0.255 150 I C -0.789 175.327 176.117 -0.003 0.000 1.163 150 I CA 0.772 62.071 61.300 -0.002 0.000 1.457 150 I CB -2.047 35.955 38.000 0.003 0.000 1.092 150 I HN 0.362 nan 8.210 nan 0.000 0.434 151 P HA -0.072 nan 4.420 nan 0.000 0.316 151 P C 0.047 177.341 177.300 -0.010 0.000 1.508 151 P CA 0.349 63.448 63.100 -0.002 0.000 0.741 151 P CB -0.688 31.014 31.700 0.002 0.000 1.593 152 N N -2.245 116.447 118.700 -0.014 0.000 3.057 152 N HA -0.232 4.509 4.740 0.001 0.000 0.194 152 N C -0.538 174.955 175.510 -0.030 0.000 0.872 152 N CA 0.189 53.228 53.050 -0.019 0.000 0.916 152 N CB -1.244 37.234 38.487 -0.014 0.000 0.864 152 N HN 0.009 nan 8.380 nan 0.000 0.641 153 L N 1.382 122.587 121.223 -0.030 0.000 2.628 153 L HA 0.051 4.392 4.340 0.001 0.000 0.274 153 L C 0.415 177.257 176.870 -0.046 0.000 1.209 153 L CA 0.462 55.279 54.840 -0.039 0.000 0.930 153 L CB -0.250 41.789 42.059 -0.032 0.000 1.183 153 L HN 0.371 nan 8.230 nan 0.000 0.492 167 I N 0.959 121.570 120.570 0.068 0.000 2.863 167 I HA 0.529 4.699 4.170 0.001 0.000 0.311 167 I C -0.267 175.925 176.117 0.126 0.000 1.026 167 I CA -0.895 60.454 61.300 0.082 0.000 1.077 167 I CB 1.187 39.223 38.000 0.059 0.000 1.262 167 I HN 0.329 nan 8.210 nan 0.000 0.461 168 N N 2.867 121.667 118.700 0.167 0.000 2.454 168 N HA -0.097 4.644 4.740 0.001 0.000 0.280 168 N C -1.028 174.574 175.510 0.154 0.000 1.515 168 N CA 0.651 53.841 53.050 0.234 0.000 0.892 168 N CB -0.653 38.017 38.487 0.304 0.000 0.892 168 N HN 0.895 nan 8.380 nan 0.000 0.475 169 A N 2.117 125.020 122.820 0.138 0.000 2.679 169 A HA 0.545 4.866 4.320 0.001 0.000 0.288 169 A C 0.889 178.520 177.584 0.078 0.000 1.160 169 A CA 0.565 52.656 52.037 0.090 0.000 0.763 169 A CB 1.095 20.138 19.000 0.072 0.000 1.270 169 A HN 0.725 nan 8.150 nan 0.000 0.417 170 Q N 2.006 121.843 119.800 0.061 0.000 1.868 170 Q HA -0.331 4.010 4.340 0.001 0.000 0.209 170 Q C 0.480 176.506 176.000 0.042 0.000 2.846 170 Q CA 2.499 58.326 55.803 0.040 0.000 0.366 170 Q CB -1.058 27.700 28.738 0.033 0.000 0.587 170 Q HN 1.019 nan 8.270 nan 0.000 0.453 171 N N 1.640 120.373 118.700 0.056 0.000 3.127 171 N HA -0.008 4.733 4.740 0.001 0.000 0.317 171 N C -0.082 175.485 175.510 0.095 0.000 1.242 171 N CA 1.278 54.365 53.050 0.061 0.000 1.203 171 N CB 0.682 39.206 38.487 0.061 0.000 1.462 171 N HN 0.515 nan 8.380 nan 0.000 0.546 172 E N -0.676 119.571 120.200 0.079 0.000 2.521 172 E HA 0.130 4.481 4.350 0.001 0.000 0.199 172 E C 1.153 177.627 176.600 -0.209 0.000 1.006 172 E CA -0.102 56.382 56.400 0.140 0.000 1.630 172 E CB 0.116 30.064 29.700 0.412 0.000 2.725 172 E HN 0.191 nan 8.360 nan 0.000 1.103 173 L N 1.451 122.545 121.223 -0.215 0.000 2.375 173 L HA 0.150 4.491 4.340 0.001 0.000 0.215 173 L C -1.826 174.890 176.870 -0.257 0.000 1.108 173 L CA -0.147 54.469 54.840 -0.373 0.000 0.830 173 L CB -0.645 41.277 42.059 -0.228 0.000 0.959 173 L HN -0.105 nan 8.230 nan 0.000 0.457 174 P HA 0.060 nan 4.420 nan 0.000 0.261 174 P C -2.364 174.896 177.300 -0.066 0.000 1.203 174 P CA -0.584 62.471 63.100 -0.074 0.000 0.767 174 P CB 0.149 31.838 31.700 -0.019 0.000 0.785 175 P HA 0.264 nan 4.420 nan 0.000 0.276 175 P C -0.318 177.038 177.300 0.093 0.000 1.252 175 P CA -0.400 62.712 63.100 0.022 0.000 0.802 175 P CB 0.707 32.456 31.700 0.082 0.000 1.035 176 I N 2.138 122.748 120.570 0.068 0.000 2.336 176 I HA 0.277 4.448 4.170 0.001 0.000 0.292 176 I C 0.577 176.702 176.117 0.013 0.000 0.991 176 I CA -0.506 60.816 61.300 0.037 0.000 1.227 176 I CB 0.765 38.724 38.000 -0.068 0.000 1.366 176 I HN 0.339 nan 8.210 nan 0.000 0.466 177 I N 7.140 127.697 120.570 -0.022 0.000 3.196 177 I HA 0.414 4.585 4.170 0.001 0.000 0.248 177 I C 0.745 176.761 176.117 -0.169 0.000 1.105 177 I CA 0.242 61.389 61.300 -0.254 0.000 1.482 177 I CB 0.552 38.363 38.000 -0.315 0.000 1.400 177 I HN 0.630 nan 8.210 nan 0.000 0.464 178 A N 0.584 123.370 122.820 -0.056 0.000 2.313 178 A HA 0.611 4.931 4.320 0.001 0.000 0.323 178 A C -0.651 176.970 177.584 0.062 0.000 1.133 178 A CA -0.341 51.687 52.037 -0.017 0.000 0.847 178 A CB 1.363 20.358 19.000 -0.009 0.000 1.308 178 A HN 0.380 nan 8.150 nan 0.000 0.475 179 Q N 0.804 120.646 119.800 0.070 0.000 3.761 179 Q HA 0.548 4.889 4.340 0.001 0.000 0.206 179 Q C -2.060 173.984 176.000 0.074 0.000 0.900 179 Q CA 0.122 56.010 55.803 0.141 0.000 0.737 179 Q CB 0.601 29.451 28.738 0.187 0.000 1.454 179 Q HN 0.764 nan 8.270 nan 0.000 0.448 180 L N 0.308 121.553 121.223 0.036 0.000 3.002 180 L HA 0.873 5.214 4.340 0.001 0.000 0.267 180 L C -1.827 175.038 176.870 -0.009 0.000 0.997 180 L CA -0.579 54.265 54.840 0.006 0.000 0.961 180 L CB 2.042 44.106 42.059 0.008 0.000 1.502 180 L HN 0.458 nan 8.230 nan 0.000 0.408 181 A N 0.690 123.499 122.820 -0.018 0.000 2.608 181 A HA 0.843 5.164 4.320 0.001 0.000 0.292 181 A C -2.571 175.004 177.584 -0.016 0.000 1.066 181 A CA -0.604 51.422 52.037 -0.019 0.000 0.676 181 A CB 1.211 20.190 19.000 -0.035 0.000 1.277 181 A HN 0.556 nan 8.150 nan 0.000 0.413 182 P HA 0.325 nan 4.420 nan 0.000 0.252 182 P C 0.746 178.047 177.300 0.001 0.000 1.211 182 P CA 1.206 64.302 63.100 -0.007 0.000 0.824 182 P CB 0.939 32.634 31.700 -0.008 0.000 1.077 183 G N -0.496 108.304 108.800 0.000 0.000 3.290 183 G HA2 -0.095 3.865 3.960 0.001 0.000 0.220 183 G HA3 -0.095 3.865 3.960 0.001 0.000 0.220 183 G C -0.072 174.829 174.900 0.001 0.000 0.940 183 G CA -0.291 44.811 45.100 0.004 0.000 0.884 183 G HN 0.410 nan 8.290 nan 0.000 0.649 204 A N 3.650 126.480 122.820 0.017 0.000 1.854 204 A HA 0.406 4.726 4.320 0.001 0.000 0.214 204 A C 0.863 178.455 177.584 0.013 0.000 1.192 204 A CA 1.490 53.535 52.037 0.013 0.000 0.611 204 A CB -0.825 18.182 19.000 0.012 0.000 0.832 204 A HN 1.363 nan 8.150 nan 0.000 0.442 205 D N -1.993 118.417 120.400 0.016 0.000 10.050 205 D HA -0.121 4.520 4.640 0.001 0.000 0.307 205 D C -0.511 175.792 176.300 0.006 0.000 2.837 205 D CA 0.686 54.695 54.000 0.014 0.000 2.563 205 D CB -0.461 40.350 40.800 0.018 0.000 1.087 205 D HN 0.393 nan 8.370 nan 0.000 0.825 206 V N 5.706 125.622 119.914 0.005 0.000 2.485 206 V HA 0.051 4.171 4.120 0.001 0.000 0.287 206 V C 2.147 178.227 176.094 -0.023 0.000 1.022 206 V CA 0.020 62.318 62.300 -0.004 0.000 1.067 206 V CB 0.946 32.775 31.823 0.010 0.000 0.967 206 V HN 0.649 nan 8.190 nan 0.000 0.479 207 V N 4.726 124.622 119.914 -0.030 0.000 2.408 207 V HA -0.396 3.725 4.120 0.001 0.000 0.231 207 V C 1.628 177.688 176.094 -0.057 0.000 1.017 207 V CA 3.420 65.693 62.300 -0.044 0.000 1.102 207 V CB -1.131 30.656 31.823 -0.059 0.000 0.904 207 V HN 1.016 nan 8.190 nan 0.000 0.489 208 L N -6.064 115.101 121.223 -0.096 0.000 1.315 208 L HA 0.403 4.743 4.340 0.001 0.000 0.105 208 L C 0.421 177.173 176.870 -0.198 0.000 1.415 208 L CA 0.734 55.503 54.840 -0.118 0.000 1.170 208 L CB -0.414 41.588 42.059 -0.095 0.000 2.420 208 L HN 0.319 nan 8.230 nan 0.000 0.465 209 D N 0.485 120.688 120.400 -0.328 0.000 3.229 209 D HA -0.272 4.369 4.640 0.001 0.000 0.214 209 D C -0.935 174.970 176.300 -0.658 0.000 1.556 209 D CA 2.765 56.377 54.000 -0.646 0.000 1.086 209 D CB -0.857 39.732 40.800 -0.352 0.000 0.676 209 D HN 0.551 nan 8.370 nan 0.000 0.791 210 Y N -0.240 120.074 120.300 0.024 0.000 2.749 210 Y HA 0.571 5.122 4.550 0.001 0.000 0.343 210 Y C -0.024 175.874 175.900 -0.003 0.000 1.015 210 Y CA -0.454 57.651 58.100 0.009 0.000 1.270 210 Y CB 1.339 39.816 38.460 0.029 0.000 1.097 210 Y HN 0.203 nan 8.280 nan 0.000 0.571 211 E N 2.046 122.256 120.200 0.017 0.000 4.230 211 E HA 0.341 4.692 4.350 0.001 0.000 0.218 211 E C -1.296 175.234 176.600 -0.118 0.000 1.140 211 E CA -0.054 56.296 56.400 -0.084 0.000 1.405 211 E CB -0.026 29.582 29.700 -0.155 0.000 1.193 211 E HN 0.617 nan 8.360 nan 0.000 0.423 212 L N 1.331 122.510 121.223 -0.073 0.000 2.672 212 L HA 0.246 4.586 4.340 0.001 0.000 0.238 212 L C 0.555 177.397 176.870 -0.047 0.000 1.392 212 L CA 0.213 54.985 54.840 -0.112 0.000 1.238 212 L CB -1.267 40.758 42.059 -0.056 0.000 1.548 212 L HN 0.357 nan 8.230 nan 0.000 0.423 213 S N -0.243 115.434 115.700 -0.037 0.000 3.711 213 S HA -0.360 4.111 4.470 0.001 0.000 0.625 213 S C 0.148 174.883 174.600 0.226 0.000 2.458 213 S CA 1.430 59.677 58.200 0.078 0.000 4.059 213 S CB -0.746 62.531 63.200 0.128 0.000 0.257 213 S HN 0.418 nan 8.310 nan 0.000 0.974 214 F N 0.975 120.973 119.950 0.079 0.000 2.599 214 F HA 0.523 5.050 4.527 0.001 0.000 0.367 214 F C -0.964 174.868 175.800 0.053 0.000 1.517 214 F CA -0.593 57.423 58.000 0.027 0.000 1.090 214 F CB 0.338 39.333 39.000 -0.008 0.000 1.758 214 F HN 0.475 nan 8.300 nan 0.000 0.550 215 Y N 1.344 121.570 120.300 -0.123 0.000 2.352 215 Y HA 0.492 5.042 4.550 0.001 0.000 0.326 215 Y C 0.194 175.963 175.900 -0.217 0.000 1.166 215 Y CA -0.179 57.844 58.100 -0.129 0.000 1.182 215 Y CB 1.028 39.439 38.460 -0.081 0.000 1.216 215 Y HN 0.333 nan 8.280 nan 0.000 0.474 216 D N -0.236 119.962 120.400 -0.337 0.000 2.689 216 D HA 0.606 5.247 4.640 0.001 0.000 0.255 216 D C -1.238 174.867 176.300 -0.326 0.000 1.113 216 D CA -0.604 53.212 54.000 -0.306 0.000 1.115 216 D CB 1.558 42.177 40.800 -0.302 0.000 1.334 216 D HN 0.325 nan 8.370 nan 0.000 0.621 217 T N 0.594 114.983 114.554 -0.275 0.000 2.991 217 T HA 0.476 4.827 4.350 0.001 0.000 0.303 217 T C -1.395 173.201 174.700 -0.174 0.000 1.015 217 T CA -0.884 61.046 62.100 -0.283 0.000 1.007 217 T CB 1.497 70.155 68.868 -0.350 0.000 1.034 217 T HN 0.333 nan 8.240 nan 0.000 0.446 218 Q N 1.794 121.513 119.800 -0.135 0.000 2.397 218 Q HA 0.565 4.905 4.340 0.001 0.000 0.275 218 Q C -0.947 175.033 176.000 -0.032 0.000 1.090 218 Q CA -0.711 55.047 55.803 -0.076 0.000 0.809 218 Q CB 2.270 30.960 28.738 -0.079 0.000 1.362 218 Q HN 0.534 nan 8.270 nan 0.000 0.431 219 S N 1.173 116.869 115.700 -0.007 0.000 2.531 219 S HA 0.470 4.941 4.470 0.001 0.000 0.279 219 S C 0.744 175.353 174.600 0.015 0.000 1.305 219 S CA 0.471 58.683 58.200 0.021 0.000 1.058 219 S CB 0.414 63.637 63.200 0.037 0.000 0.899 219 S HN 0.729 nan 8.310 nan 0.000 0.493 220 A N 5.771 128.607 122.820 0.027 0.000 1.824 220 A HA 0.466 4.787 4.320 0.001 0.000 0.215 220 A C 1.444 179.040 177.584 0.020 0.000 1.244 220 A CA 0.736 52.786 52.037 0.021 0.000 0.604 220 A CB -1.620 17.398 19.000 0.030 0.000 0.900 220 A HN 1.914 nan 8.150 nan 0.000 0.455 221 A N -0.021 122.816 122.820 0.028 0.000 1.773 221 A HA 0.110 4.431 4.320 0.001 0.000 0.341 221 A C 0.576 178.173 177.584 0.022 0.000 0.848 221 A CA 0.717 52.771 52.037 0.028 0.000 1.539 221 A CB -1.679 17.342 19.000 0.035 0.000 0.635 221 A HN 1.447 nan 8.150 nan 0.000 0.205 222 V N 4.628 124.555 119.914 0.022 0.000 2.928 222 V HA 0.074 4.195 4.120 0.001 0.000 0.307 222 V C 1.180 177.290 176.094 0.028 0.000 1.105 222 V CA 0.472 62.787 62.300 0.025 0.000 1.223 222 V CB 0.742 32.581 31.823 0.026 0.000 0.930 222 V HN 0.854 nan 8.190 nan 0.000 0.499 223 V N 6.240 126.176 119.914 0.037 0.000 2.752 223 V HA 0.328 4.449 4.120 0.001 0.000 0.306 223 V C 0.908 177.027 176.094 0.042 0.000 1.099 223 V CA 1.187 63.511 62.300 0.039 0.000 1.240 223 V CB 0.061 31.937 31.823 0.087 0.000 0.887 223 V HN 1.182 nan 8.190 nan 0.000 0.499 224 G N 3.980 112.801 108.800 0.034 0.000 2.667 224 G HA2 0.619 4.580 3.960 0.001 0.000 0.298 224 G HA3 0.619 4.580 3.960 0.001 0.000 0.298 224 G C -1.156 173.764 174.900 0.033 0.000 1.377 224 G CA -1.075 44.044 45.100 0.032 0.000 0.964 224 G HN 0.635 nan 8.290 nan 0.000 0.493 225 L N 1.962 123.204 121.223 0.032 0.000 2.453 225 L HA 0.251 4.592 4.340 0.001 0.000 0.272 225 L C 0.245 177.132 176.870 0.029 0.000 1.182 225 L CA -0.507 54.353 54.840 0.032 0.000 0.858 225 L CB 0.442 42.520 42.059 0.031 0.000 1.120 225 L HN 0.449 nan 8.230 nan 0.000 0.474 226 N N 1.448 120.167 118.700 0.032 0.000 2.906 226 N HA 0.482 5.223 4.740 0.001 0.000 0.327 226 N C -0.964 174.557 175.510 0.020 0.000 1.344 226 N CA -0.760 52.304 53.050 0.023 0.000 0.823 226 N CB 0.742 39.246 38.487 0.028 0.000 1.351 226 N HN 0.522 nan 8.380 nan 0.000 0.604 227 D N -0.284 120.116 120.400 0.000 0.000 10.852 227 D HA -0.160 4.480 4.640 0.001 0.000 0.361 227 D C 0.520 176.761 176.300 -0.099 0.000 3.101 227 D CA 0.581 54.564 54.000 -0.029 0.000 2.575 227 D CB 0.103 40.917 40.800 0.024 0.000 1.168 227 D HN 0.714 nan 8.370 nan 0.000 0.953 228 E N -0.972 119.081 120.200 -0.245 0.000 2.072 228 E HA -0.113 4.238 4.350 0.001 0.000 0.191 228 E C 1.078 177.394 176.600 -0.474 0.000 0.985 228 E CA 1.332 57.457 56.400 -0.459 0.000 0.801 228 E CB 0.137 29.376 29.700 -0.769 0.000 0.750 228 E HN 0.402 nan 8.360 nan 0.000 0.452 229 F N -0.406 119.560 119.950 0.028 0.000 2.480 229 F HA 0.204 4.732 4.527 0.001 0.000 0.212 229 F C 0.995 176.812 175.800 0.028 0.000 1.113 229 F CA -0.727 57.290 58.000 0.029 0.000 0.970 229 F CB 0.069 39.090 39.000 0.036 0.000 1.177 229 F HN -0.088 nan 8.300 nan 0.000 0.663 230 I N -1.440 119.304 120.570 0.290 0.000 2.944 230 I HA 0.505 4.676 4.170 0.001 0.000 0.330 230 I C -0.183 176.028 176.117 0.157 0.000 1.482 230 I CA -0.482 60.910 61.300 0.153 0.000 0.880 230 I CB 0.467 38.522 38.000 0.091 0.000 1.728 230 I HN 0.197 nan 8.210 nan 0.000 0.561 231 A N 1.296 124.226 122.820 0.184 0.000 3.181 231 A HA 0.874 5.194 4.320 0.001 0.000 0.293 231 A C 0.786 178.444 177.584 0.125 0.000 1.346 231 A CA 0.176 52.321 52.037 0.179 0.000 1.018 231 A CB -0.852 18.280 19.000 0.220 0.000 1.093 231 A HN 1.037 nan 8.150 nan 0.000 0.629 232 G N -1.874 106.987 108.800 0.102 0.000 2.317 232 G HA2 0.597 4.558 3.960 0.001 0.000 0.445 232 G HA3 0.597 4.558 3.960 0.001 0.000 0.445 232 G C -0.591 174.347 174.900 0.064 0.000 1.486 232 G CA -0.126 45.024 45.100 0.083 0.000 0.991 232 G HN 1.674 nan 8.290 nan 0.000 0.660 233 A N 0.340 123.197 122.820 0.061 0.000 5.450 233 A HA 1.040 5.361 4.320 0.001 0.000 0.198 233 A C -0.150 177.462 177.584 0.047 0.000 0.883 233 A CA 0.681 52.748 52.037 0.050 0.000 0.784 233 A CB 0.286 19.315 19.000 0.048 0.000 2.043 233 A HN 2.283 nan 8.150 nan 0.000 0.994 234 R N -1.866 118.657 120.500 0.037 0.000 0.959 234 R HA -0.105 4.236 4.340 0.001 0.000 0.432 234 R C -0.415 175.870 176.300 -0.025 0.000 1.366 234 R CA 0.848 56.952 56.100 0.008 0.000 1.194 234 R CB -1.539 28.778 30.300 0.028 0.000 3.435 234 R HN 1.340 nan 8.270 nan 0.000 0.516 235 L N 0.157 121.315 121.223 -0.109 0.000 3.223 235 L HA 0.205 4.546 4.340 0.001 0.000 0.168 235 L C 1.681 178.478 176.870 -0.122 0.000 1.239 235 L CA 0.338 55.123 54.840 -0.092 0.000 0.856 235 L CB -0.155 41.852 42.059 -0.085 0.000 1.415 235 L HN 0.675 nan 8.230 nan 0.000 0.562 236 D N 0.503 120.752 120.400 -0.250 0.000 2.129 236 D HA -0.163 4.477 4.640 0.001 0.000 0.220 236 D C 0.375 176.590 176.300 -0.140 0.000 0.988 236 D CA 1.341 55.234 54.000 -0.178 0.000 0.904 236 D CB -0.156 40.542 40.800 -0.170 0.000 1.018 236 D HN 0.599 nan 8.370 nan 0.000 0.444 237 N N -0.124 118.451 118.700 -0.208 0.000 2.677 237 N HA -0.237 4.504 4.740 0.001 0.000 0.249 237 N C -0.594 174.982 175.510 0.110 0.000 1.073 237 N CA 0.335 53.439 53.050 0.091 0.000 0.737 237 N CB -2.132 36.416 38.487 0.103 0.000 0.999 237 N HN 0.240 nan 8.380 nan 0.000 0.543 238 L N 0.114 121.368 121.223 0.052 0.000 2.387 238 L HA 0.265 4.605 4.340 0.001 0.000 0.267 238 L C 0.713 177.535 176.870 -0.080 0.000 1.197 238 L CA -0.608 54.240 54.840 0.015 0.000 1.070 238 L CB -0.066 42.000 42.059 0.012 0.000 1.349 238 L HN 0.304 nan 8.230 nan 0.000 0.422 239 L N 0.211 121.345 121.223 -0.149 0.000 4.988 239 L HA -0.304 4.036 4.340 0.001 0.000 0.439 239 L C 1.094 177.924 176.870 -0.068 0.000 1.080 239 L CA 1.174 55.831 54.840 -0.303 0.000 1.018 239 L CB -1.433 40.125 42.059 -0.835 0.000 1.945 239 L HN 0.660 nan 8.230 nan 0.000 0.782 240 S N -1.523 114.220 115.700 0.072 0.000 2.585 240 S HA 0.370 4.840 4.470 0.001 0.000 0.273 240 S C 1.574 176.385 174.600 0.350 0.000 1.339 240 S CA 0.147 58.488 58.200 0.235 0.000 1.028 240 S CB 1.019 64.388 63.200 0.282 0.000 0.906 240 S HN 1.401 nan 8.310 nan 0.000 0.528 241 C N 3.116 122.607 119.300 0.317 0.000 5.883 241 C HA -0.258 4.202 4.460 0.001 0.000 0.327 241 C C 1.444 176.388 174.990 -0.076 0.000 2.424 241 C CA 1.923 60.974 59.018 0.055 0.000 2.187 241 C CB -2.924 24.897 27.740 0.136 0.000 3.226 241 C HN 1.077 nan 8.230 nan 0.000 0.268 242 H N 1.898 120.956 119.070 -0.019 0.000 2.457 242 H HA 0.380 4.937 4.556 0.001 0.000 0.294 242 H C 2.104 177.383 175.328 -0.082 0.000 1.064 242 H CA 2.076 58.085 56.048 -0.065 0.000 1.330 242 H CB -0.132 29.578 29.762 -0.086 0.000 1.395 242 H HN 0.956 nan 8.280 nan 0.000 0.541 243 A N -0.151 122.702 122.820 0.054 0.000 2.797 243 A HA 0.479 4.799 4.320 0.001 0.000 0.287 243 A C 1.539 179.074 177.584 -0.082 0.000 1.369 243 A CA 0.583 52.627 52.037 0.013 0.000 0.968 243 A CB -0.498 18.536 19.000 0.057 0.000 1.069 243 A HN 0.517 nan 8.150 nan 0.000 0.571 244 G N -1.257 107.388 108.800 -0.257 0.000 2.647 244 G HA2 0.111 4.072 3.960 0.001 0.000 0.212 244 G HA3 0.111 4.072 3.960 0.001 0.000 0.212 244 G C 1.034 175.670 174.900 -0.440 0.000 1.540 244 G CA 0.219 44.931 45.100 -0.646 0.000 0.608 244 G HN 0.241 nan 8.290 nan 0.000 1.094 245 L N 0.968 122.005 121.223 -0.309 0.000 2.141 245 L HA 0.147 4.488 4.340 0.001 0.000 0.209 245 L C 2.508 179.304 176.870 -0.123 0.000 1.094 245 L CA 1.423 56.133 54.840 -0.218 0.000 0.763 245 L CB -0.062 41.866 42.059 -0.218 0.000 0.908 245 L HN 0.322 nan 8.230 nan 0.000 0.437 246 E N 0.363 120.508 120.200 -0.092 0.000 2.152 246 E HA -0.192 4.159 4.350 0.001 0.000 0.192 246 E C 2.210 178.838 176.600 0.046 0.000 0.983 246 E CA 0.949 57.354 56.400 0.010 0.000 0.818 246 E CB 0.095 29.809 29.700 0.024 0.000 0.758 246 E HN 0.467 nan 8.360 nan 0.000 0.467 247 A N 0.675 123.461 122.820 -0.057 0.000 1.968 247 A HA -0.037 4.283 4.320 0.001 0.000 0.217 247 A C 1.905 179.443 177.584 -0.076 0.000 1.169 247 A CA 0.553 52.547 52.037 -0.072 0.000 0.638 247 A CB -0.287 18.620 19.000 -0.155 0.000 0.812 247 A HN 0.261 nan 8.150 nan 0.000 0.446 248 L N -0.447 120.706 121.223 -0.116 0.000 2.693 248 L HA 0.056 4.397 4.340 0.001 0.000 0.242 248 L C 1.311 178.174 176.870 -0.012 0.000 1.157 248 L CA -0.125 54.659 54.840 -0.093 0.000 0.929 248 L CB 0.115 42.084 42.059 -0.151 0.000 1.103 248 L HN 0.258 nan 8.230 nan 0.000 0.430 249 L N -1.448 119.813 121.223 0.063 0.000 2.730 249 L HA 0.157 4.498 4.340 0.001 0.000 0.236 249 L C 1.832 178.846 176.870 0.240 0.000 1.061 249 L CA 0.737 55.691 54.840 0.190 0.000 0.898 249 L CB -0.395 41.822 42.059 0.264 0.000 1.270 249 L HN 0.086 nan 8.230 nan 0.000 0.500 250 N N 0.287 119.070 118.700 0.138 0.000 2.512 250 N HA 0.005 4.746 4.740 0.001 0.000 0.183 250 N C 1.267 176.723 175.510 -0.089 0.000 1.073 250 N CA 1.035 54.028 53.050 -0.096 0.000 0.911 250 N CB 0.363 38.805 38.487 -0.076 0.000 0.964 250 N HN 0.304 nan 8.380 nan 0.000 0.447 251 A N -1.053 121.750 122.820 -0.028 0.000 2.431 251 A HA 0.271 4.592 4.320 0.001 0.000 0.239 251 A C 1.395 178.975 177.584 -0.008 0.000 1.230 251 A CA -0.113 51.907 52.037 -0.029 0.000 0.928 251 A CB 0.408 19.392 19.000 -0.028 0.000 1.006 251 A HN 0.078 nan 8.150 nan 0.000 0.520 252 E N -0.048 120.163 120.200 0.018 0.000 2.421 252 E HA 0.115 4.466 4.350 0.001 0.000 0.209 252 E C 1.113 177.745 176.600 0.052 0.000 0.871 252 E CA 0.465 56.886 56.400 0.034 0.000 1.064 252 E CB 0.209 29.934 29.700 0.042 0.000 1.075 252 E HN 0.434 nan 8.360 nan 0.000 0.513 253 G N 1.947 110.797 108.800 0.083 0.000 2.491 253 G HA2 0.037 3.998 3.960 0.001 0.000 0.242 253 G HA3 0.037 3.998 3.960 0.001 0.000 0.242 253 G C -0.131 174.789 174.900 0.035 0.000 1.266 253 G CA -0.325 44.840 45.100 0.108 0.000 0.844 253 G HN -0.130 nan 8.290 nan 0.000 0.571 254 D N 1.030 121.453 120.400 0.038 0.000 2.417 254 D HA 0.117 4.757 4.640 0.001 0.000 0.250 254 D C 0.286 176.579 176.300 -0.012 0.000 1.166 254 D CA 0.490 54.496 54.000 0.010 0.000 0.881 254 D CB 1.155 41.963 40.800 0.013 0.000 1.164 254 D HN 0.278 nan 8.370 nan 0.000 0.467 255 E N 2.053 122.238 120.200 -0.025 0.000 2.220 255 E HA 0.074 4.425 4.350 0.001 0.000 0.272 255 E C 0.970 177.549 176.600 -0.035 0.000 1.099 255 E CA 0.009 56.385 56.400 -0.041 0.000 0.907 255 E CB 0.374 30.049 29.700 -0.041 0.000 1.022 255 E HN 0.419 nan 8.360 nan 0.000 0.428 256 N N 1.583 120.257 118.700 -0.042 0.000 2.329 256 N HA -0.028 4.713 4.740 0.001 0.000 0.303 256 N C -0.073 175.409 175.510 -0.047 0.000 0.752 256 N CA 0.373 53.401 53.050 -0.037 0.000 0.890 256 N CB -0.201 38.271 38.487 -0.025 0.000 1.999 256 N HN 0.452 nan 8.380 nan 0.000 1.182 257 C N 1.298 120.563 119.300 -0.058 0.000 2.668 257 C HA 0.848 5.309 4.460 0.001 0.000 0.355 257 C C 0.641 175.582 174.990 -0.083 0.000 1.277 257 C CA -1.516 57.459 59.018 -0.072 0.000 1.787 257 C CB 0.902 28.600 27.740 -0.070 0.000 2.233 257 C HN 0.382 nan 8.230 nan 0.000 0.495 258 I N 1.054 121.564 120.570 -0.100 0.000 2.471 258 I HA 0.552 4.723 4.170 0.001 0.000 0.286 258 I C -0.722 175.416 176.117 0.035 0.000 1.079 258 I CA -0.066 61.194 61.300 -0.066 0.000 1.398 258 I CB -0.662 37.210 38.000 -0.214 0.000 1.403 258 I HN 0.670 nan 8.210 nan 0.000 0.530 259 L N 6.603 127.856 121.223 0.049 0.000 2.386 259 L HA 0.687 5.028 4.340 0.001 0.000 0.271 259 L C -0.617 176.325 176.870 0.121 0.000 0.993 259 L CA -0.940 53.918 54.840 0.031 0.000 0.819 259 L CB 2.247 44.075 42.059 -0.386 0.000 1.294 259 L HN 0.338 nan 8.230 nan 0.000 0.414 260 V N 1.538 121.591 119.914 0.232 0.000 2.483 260 V HA 0.282 4.403 4.120 0.001 0.000 0.297 260 V C -0.643 175.588 176.094 0.228 0.000 1.027 260 V CA -0.570 61.848 62.300 0.197 0.000 0.855 260 V CB 2.043 33.945 31.823 0.132 0.000 0.995 260 V HN 0.931 nan 8.190 nan 0.000 0.424 261 C N 4.776 124.182 119.300 0.178 0.000 2.258 261 C HA 0.642 5.102 4.460 0.001 0.000 0.321 261 C C 0.629 175.697 174.990 0.130 0.000 1.168 261 C CA -0.188 58.933 59.018 0.171 0.000 1.531 261 C CB -0.242 27.585 27.740 0.145 0.000 2.095 261 C HN 0.968 nan 8.230 nan 0.000 0.449 262 T N 5.461 120.090 114.554 0.125 0.000 2.853 262 T HA 0.385 4.736 4.350 0.001 0.000 0.317 262 T C -0.476 174.215 174.700 -0.014 0.000 1.059 262 T CA -0.213 61.969 62.100 0.137 0.000 0.954 262 T CB -0.266 68.776 68.868 0.289 0.000 0.994 262 T HN 0.804 nan 8.240 nan 0.000 0.479 263 D N 4.050 124.421 120.400 -0.048 0.000 2.181 263 D HA 0.535 5.175 4.640 0.001 0.000 0.248 263 D C 0.070 176.292 176.300 -0.131 0.000 1.020 263 D CA -0.023 53.861 54.000 -0.193 0.000 0.891 263 D CB 1.628 42.402 40.800 -0.044 0.000 1.187 263 D HN 0.862 nan 8.370 nan 0.000 0.443 264 H N -1.724 117.434 119.070 0.146 0.000 2.950 264 H HA 0.613 5.169 4.556 0.001 0.000 0.272 264 H C -1.088 174.330 175.328 0.150 0.000 1.495 264 H CA -1.001 55.120 56.048 0.121 0.000 1.183 264 H CB 1.335 31.153 29.762 0.093 0.000 1.867 264 H HN 0.285 nan 8.280 nan 0.000 0.597 265 E N -0.902 119.500 120.200 0.336 0.000 2.369 265 E HA 0.435 4.785 4.350 0.001 0.000 0.270 265 E C -0.777 175.925 176.600 0.170 0.000 0.909 265 E CA -0.563 55.988 56.400 0.251 0.000 0.775 265 E CB 1.401 31.221 29.700 0.201 0.000 1.270 265 E HN 0.781 nan 8.360 nan 0.000 0.445 266 E N 0.093 120.382 120.200 0.148 0.000 4.289 266 E HA -0.183 4.167 4.350 0.001 0.000 0.375 266 E C 0.764 177.322 176.600 -0.070 0.000 0.624 266 E CA 0.857 57.308 56.400 0.084 0.000 1.443 266 E CB -1.304 28.461 29.700 0.109 0.000 1.807 266 E HN 0.326 nan 8.360 nan 0.000 0.378 267 V N -0.149 119.663 119.914 -0.170 0.000 2.332 267 V HA -0.210 3.911 4.120 0.001 0.000 0.248 267 V C 2.183 178.067 176.094 -0.350 0.000 1.055 267 V CA 2.331 64.452 62.300 -0.299 0.000 1.038 267 V CB -0.484 31.091 31.823 -0.413 0.000 0.651 267 V HN 0.490 nan 8.190 nan 0.000 0.450 268 G N -1.755 106.778 108.800 -0.445 0.000 2.990 268 G HA2 -0.018 3.942 3.960 0.001 0.000 0.206 268 G HA3 -0.018 3.942 3.960 0.001 0.000 0.206 268 G C 1.391 176.098 174.900 -0.322 0.000 1.169 268 G CA 1.087 45.976 45.100 -0.351 0.000 0.819 268 G HN 0.494 nan 8.290 nan 0.000 0.517 269 S N -2.503 113.049 115.700 -0.246 0.000 3.608 269 S HA 0.089 4.560 4.470 0.001 0.000 0.234 269 S C 1.267 175.807 174.600 -0.100 0.000 1.077 269 S CA 1.067 59.154 58.200 -0.188 0.000 0.827 269 S CB 0.246 63.358 63.200 -0.147 0.000 0.964 269 S HN 0.307 nan 8.310 nan 0.000 0.547 270 C N -0.624 118.628 119.300 -0.081 0.000 4.921 270 C HA 0.527 4.987 4.460 0.001 0.000 0.477 270 C C 1.241 176.129 174.990 -0.169 0.000 1.492 270 C CA 0.938 59.887 59.018 -0.114 0.000 2.292 270 C CB -0.228 27.470 27.740 -0.069 0.000 3.214 270 C HN 0.713 nan 8.230 nan 0.000 0.562 271 S N -0.613 115.027 115.700 -0.101 0.000 1.276 271 S HA -0.234 4.237 4.470 0.001 0.000 0.251 271 S C 0.624 175.206 174.600 -0.029 0.000 0.601 271 S CA 1.576 59.715 58.200 -0.102 0.000 1.044 271 S CB -1.433 61.685 63.200 -0.137 0.000 1.060 271 S HN 0.851 nan 8.310 nan 0.000 0.493 272 H N -0.074 118.977 119.070 -0.032 0.000 1.452 272 H HA -0.346 4.210 4.556 0.001 0.000 0.090 272 H C 1.084 176.384 175.328 -0.047 0.000 0.976 272 H CA 1.859 57.893 56.048 -0.024 0.000 1.901 272 H CB -0.808 28.950 29.762 -0.006 0.000 2.257 272 H HN 0.781 nan 8.280 nan 0.000 0.961 273 C N 1.541 120.924 119.300 0.138 0.000 2.610 273 C HA 0.362 4.822 4.460 0.001 0.000 0.382 273 C C 1.584 176.560 174.990 -0.023 0.000 1.287 273 C CA 1.190 60.220 59.018 0.019 0.000 1.640 273 C CB -1.510 26.229 27.740 -0.001 0.000 2.335 273 C HN 0.833 nan 8.230 nan 0.000 0.577 274 G N 4.122 112.858 108.800 -0.107 0.000 2.697 274 G HA2 -0.126 3.834 3.960 0.001 0.000 0.200 274 G HA3 -0.126 3.834 3.960 0.001 0.000 0.200 274 G C 0.907 175.635 174.900 -0.287 0.000 1.106 274 G CA 0.167 45.183 45.100 -0.140 0.000 0.748 274 G HN 1.351 nan 8.290 nan 0.000 0.503 275 A N -0.295 122.352 122.820 -0.289 0.000 2.252 275 A HA 0.566 4.886 4.320 0.001 0.000 0.213 275 A C 0.644 178.134 177.584 -0.158 0.000 1.188 275 A CA 1.730 53.417 52.037 -0.583 0.000 0.863 275 A CB 0.225 18.878 19.000 -0.578 0.000 0.893 275 A HN 0.673 nan 8.150 nan 0.000 0.495 276 D N -0.830 119.533 120.400 -0.062 0.000 2.381 276 D HA 0.444 5.085 4.640 0.001 0.000 0.245 276 D C -0.061 176.291 176.300 0.087 0.000 1.297 276 D CA 0.829 54.906 54.000 0.128 0.000 0.931 276 D CB 0.076 40.885 40.800 0.016 0.000 1.334 276 D HN 0.797 nan 8.370 nan 0.000 0.535 277 G N 3.229 112.107 108.800 0.129 0.000 2.981 277 G HA2 -0.074 3.886 3.960 0.001 0.000 0.686 277 G HA3 -0.074 3.886 3.960 0.001 0.000 0.686 277 G C -2.832 172.033 174.900 -0.059 0.000 1.068 277 G CA -0.849 44.298 45.100 0.078 0.000 0.806 277 G HN 0.389 nan 8.290 nan 0.000 0.568 278 P HA 0.549 nan 4.420 nan 0.000 0.297 278 P C 0.401 177.663 177.300 -0.064 0.000 1.331 278 P CA -0.823 62.273 63.100 -0.007 0.000 0.803 278 P CB 0.641 32.334 31.700 -0.013 0.000 0.929 279 F N 1.254 121.228 119.950 0.040 0.000 2.558 279 F HA 0.022 4.550 4.527 0.001 0.000 0.298 279 F C 1.103 176.935 175.800 0.053 0.000 1.119 279 F CA 0.392 58.426 58.000 0.058 0.000 1.451 279 F CB -0.344 38.703 39.000 0.079 0.000 1.091 279 F HN 0.147 nan 8.300 nan 0.000 0.563 280 L N 0.460 121.793 121.223 0.184 0.000 2.483 280 L HA -0.007 4.334 4.340 0.001 0.000 0.276 280 L C 1.275 178.115 176.870 -0.049 0.000 1.213 280 L CA 0.434 55.271 54.840 -0.005 0.000 0.843 280 L CB -0.053 41.918 42.059 -0.146 0.000 1.107 280 L HN 0.248 nan 8.230 nan 0.000 0.487 281 E N -0.599 119.539 120.200 -0.103 0.000 4.586 281 E HA -0.390 3.961 4.350 0.001 0.000 0.271 281 E C 1.460 178.049 176.600 -0.017 0.000 0.767 281 E CA 1.838 58.199 56.400 -0.066 0.000 1.491 281 E CB -0.683 28.973 29.700 -0.075 0.000 1.758 281 E HN 0.845 nan 8.360 nan 0.000 0.398 282 Q N 0.170 119.973 119.800 0.004 0.000 2.172 282 Q HA -0.038 4.302 4.340 0.001 0.000 0.200 282 Q C 2.168 178.196 176.000 0.047 0.000 0.964 282 Q CA 1.781 57.598 55.803 0.023 0.000 0.855 282 Q CB 0.304 29.055 28.738 0.022 0.000 0.918 282 Q HN 0.259 nan 8.270 nan 0.000 0.444 283 V N -0.134 119.811 119.914 0.050 0.000 2.521 283 V HA -0.002 4.119 4.120 0.001 0.000 0.239 283 V C 0.722 176.827 176.094 0.018 0.000 1.053 283 V CA 0.453 62.737 62.300 -0.026 0.000 1.073 283 V CB 0.192 31.946 31.823 -0.115 0.000 0.746 283 V HN 0.259 nan 8.190 nan 0.000 0.476 284 L N 2.047 123.331 121.223 0.101 0.000 2.352 284 L HA 0.418 4.759 4.340 0.001 0.000 0.272 284 L C 0.790 177.704 176.870 0.073 0.000 1.109 284 L CA 0.662 55.610 54.840 0.181 0.000 0.952 284 L CB 0.215 42.445 42.059 0.286 0.000 1.314 284 L HN 0.210 nan 8.230 nan 0.000 0.427 285 R N 2.014 122.568 120.500 0.089 0.000 2.508 285 R HA 0.259 4.599 4.340 0.001 0.000 0.300 285 R C -0.394 175.932 176.300 0.044 0.000 0.970 285 R CA -0.236 55.885 56.100 0.034 0.000 1.102 285 R CB 0.559 30.866 30.300 0.012 0.000 1.246 285 R HN 0.397 nan 8.270 nan 0.000 0.539 286 R N 0.118 120.672 120.500 0.091 0.000 2.599 286 R HA 0.419 4.760 4.340 0.001 0.000 0.295 286 R C -0.781 175.566 176.300 0.079 0.000 0.963 286 R CA -0.716 55.433 56.100 0.082 0.000 0.883 286 R CB 1.341 31.707 30.300 0.112 0.000 1.171 286 R HN 0.013 nan 8.270 nan 0.000 0.450 287 L N 4.029 125.282 121.223 0.050 0.000 3.181 287 L HA -0.239 4.101 4.340 0.001 0.000 0.603 287 L C -0.784 176.114 176.870 0.047 0.000 1.006 287 L CA 0.142 55.008 54.840 0.043 0.000 1.280 287 L CB -0.571 41.514 42.059 0.044 0.000 1.439 287 L HN 0.669 nan 8.230 nan 0.000 0.722 288 L N 2.554 123.795 121.223 0.030 0.000 0.735 288 L HA -0.126 4.215 4.340 0.001 0.000 0.364 288 L C -1.094 175.788 176.870 0.020 0.000 1.004 288 L CA 0.467 55.322 54.840 0.026 0.000 1.222 288 L CB -0.199 41.882 42.059 0.036 0.000 0.325 288 L HN 0.470 nan 8.230 nan 0.000 0.197 289 P HA -0.095 nan 4.420 nan 0.000 0.199 289 P C 0.384 177.659 177.300 -0.041 0.000 1.085 289 P CA 1.422 64.508 63.100 -0.022 0.000 0.924 289 P CB 0.327 32.012 31.700 -0.024 0.000 0.736 290 E N -1.811 118.367 120.200 -0.037 0.000 3.254 290 E HA 0.227 4.577 4.350 0.001 0.000 0.184 290 E C 1.202 177.807 176.600 0.009 0.000 0.967 290 E CA 0.043 56.412 56.400 -0.051 0.000 1.311 290 E CB 0.434 30.066 29.700 -0.112 0.000 1.071 290 E HN 0.267 nan 8.360 nan 0.000 0.456 291 G N 0.787 109.604 108.800 0.027 0.000 2.557 291 G HA2 -0.085 3.876 3.960 0.001 0.000 0.213 291 G HA3 -0.085 3.876 3.960 0.001 0.000 0.213 291 G C 0.959 175.896 174.900 0.063 0.000 1.221 291 G CA 0.453 45.576 45.100 0.038 0.000 0.832 291 G HN 0.021 nan 8.290 nan 0.000 0.556 292 D N -0.004 120.437 120.400 0.068 0.000 2.503 292 D HA 0.338 4.978 4.640 0.001 0.000 0.218 292 D C 2.149 178.516 176.300 0.111 0.000 1.183 292 D CA 0.402 54.451 54.000 0.081 0.000 0.827 292 D CB 0.971 41.804 40.800 0.055 0.000 1.034 292 D HN 0.244 nan 8.370 nan 0.000 0.510 293 A N 0.543 123.443 122.820 0.133 0.000 1.873 293 A HA -0.053 4.268 4.320 0.001 0.000 0.215 293 A C 1.101 178.884 177.584 0.332 0.000 1.186 293 A CA 0.856 53.005 52.037 0.187 0.000 0.616 293 A CB -0.225 18.865 19.000 0.151 0.000 0.823 293 A HN 0.046 nan 8.150 nan 0.000 0.442 294 F N -0.735 119.256 119.950 0.068 0.000 2.139 294 F HA 0.407 4.935 4.527 0.001 0.000 0.273 294 F C 2.072 177.905 175.800 0.055 0.000 1.058 294 F CA -0.422 57.620 58.000 0.070 0.000 1.149 294 F CB -0.004 39.029 39.000 0.054 0.000 1.739 294 F HN 0.344 nan 8.300 nan 0.000 0.536 295 S N -0.022 115.752 115.700 0.122 0.000 4.148 295 S HA -0.403 4.067 4.470 0.001 0.000 0.515 295 S C 1.857 176.460 174.600 0.005 0.000 1.828 295 S CA 2.002 60.227 58.200 0.040 0.000 4.202 295 S CB -1.063 62.184 63.200 0.079 0.000 0.562 295 S HN 0.635 nan 8.310 nan 0.000 0.454 296 R N 1.541 122.064 120.500 0.038 0.000 2.091 296 R HA -0.002 4.339 4.340 0.001 0.000 0.238 296 R C 2.594 178.901 176.300 0.011 0.000 1.136 296 R CA 1.600 57.713 56.100 0.023 0.000 0.959 296 R CB -0.450 29.871 30.300 0.035 0.000 0.856 296 R HN 0.598 nan 8.270 nan 0.000 0.437 297 A N 1.377 124.215 122.820 0.030 0.000 1.898 297 A HA -0.057 4.264 4.320 0.001 0.000 0.214 297 A C 2.175 179.767 177.584 0.013 0.000 1.183 297 A CA 0.978 53.038 52.037 0.039 0.000 0.622 297 A CB -0.411 18.664 19.000 0.124 0.000 0.824 297 A HN 0.401 nan 8.150 nan 0.000 0.444 298 I N -3.515 116.996 120.570 -0.099 0.000 2.676 298 I HA -0.125 4.045 4.170 0.001 0.000 0.259 298 I C 1.807 177.853 176.117 -0.119 0.000 1.194 298 I CA 1.192 62.377 61.300 -0.192 0.000 1.473 298 I CB -0.341 37.341 38.000 -0.531 0.000 1.096 298 I HN 0.084 nan 8.210 nan 0.000 0.443 299 Q N 0.934 120.683 119.800 -0.086 0.000 2.389 299 Q HA 0.064 4.405 4.340 0.001 0.000 0.204 299 Q C 1.822 177.792 176.000 -0.050 0.000 0.944 299 Q CA 0.576 56.342 55.803 -0.062 0.000 0.908 299 Q CB -0.073 28.638 28.738 -0.045 0.000 1.002 299 Q HN 0.474 nan 8.270 nan 0.000 0.493 300 R N 0.190 120.668 120.500 -0.036 0.000 2.334 300 R HA 0.215 4.556 4.340 0.001 0.000 0.216 300 R C 0.014 176.302 176.300 -0.019 0.000 0.905 300 R CA 0.055 56.136 56.100 -0.032 0.000 1.064 300 R CB 0.502 30.787 30.300 -0.025 0.000 1.046 300 R HN 0.023 nan 8.270 nan 0.000 0.508 301 S N -0.091 115.608 115.700 -0.003 0.000 2.745 301 S HA 0.535 5.006 4.470 0.001 0.000 0.292 301 S C -0.501 174.117 174.600 0.029 0.000 1.133 301 S CA -0.528 57.703 58.200 0.051 0.000 0.998 301 S CB 1.924 65.184 63.200 0.101 0.000 1.087 301 S HN 0.201 nan 8.310 nan 0.000 0.551 302 L N 2.096 123.382 121.223 0.105 0.000 2.611 302 L HA 0.470 4.810 4.340 0.001 0.000 0.263 302 L C -1.632 175.343 176.870 0.175 0.000 0.969 302 L CA -0.565 54.346 54.840 0.117 0.000 0.894 302 L CB 1.277 43.445 42.059 0.182 0.000 1.229 302 L HN 0.535 nan 8.230 nan 0.000 0.416 303 L N 5.658 126.900 121.223 0.031 0.000 2.350 303 L HA 0.719 5.059 4.340 0.001 0.000 0.275 303 L C -1.027 175.751 176.870 -0.152 0.000 1.099 303 L CA 0.088 54.913 54.840 -0.024 0.000 0.808 303 L CB 1.692 43.700 42.059 -0.085 0.000 1.149 303 L HN 0.329 nan 8.230 nan 0.000 0.442 304 V N 3.449 123.226 119.914 -0.229 0.000 2.656 304 V HA 0.600 4.721 4.120 0.001 0.000 0.307 304 V C -0.453 175.476 176.094 -0.276 0.000 1.051 304 V CA -0.566 61.484 62.300 -0.417 0.000 0.893 304 V CB 2.004 33.335 31.823 -0.819 0.000 0.999 304 V HN 0.920 nan 8.190 nan 0.000 0.426 305 S N 2.688 118.230 115.700 -0.263 0.000 2.451 305 S HA 0.803 5.273 4.470 0.001 0.000 0.301 305 S C -0.061 174.431 174.600 -0.179 0.000 1.116 305 S CA -0.468 57.627 58.200 -0.177 0.000 1.093 305 S CB 1.799 64.910 63.200 -0.148 0.000 1.017 305 S HN 1.186 nan 8.310 nan 0.000 0.482 306 A N 2.522 125.273 122.820 -0.115 0.000 2.838 306 A HA 0.533 4.853 4.320 0.001 0.000 0.337 306 A C -0.050 177.408 177.584 -0.209 0.000 1.383 306 A CA -0.582 51.434 52.037 -0.035 0.000 0.985 306 A CB -0.275 18.804 19.000 0.132 0.000 1.157 306 A HN 0.840 nan 8.150 nan 0.000 0.497 307 D N 1.021 121.262 120.400 -0.265 0.000 2.446 307 D HA 0.377 5.018 4.640 0.001 0.000 0.288 307 D C -0.373 175.638 176.300 -0.483 0.000 1.195 307 D CA -0.122 53.658 54.000 -0.367 0.000 1.095 307 D CB 0.572 41.217 40.800 -0.257 0.000 1.153 307 D HN 0.389 nan 8.370 nan 0.000 0.568 308 N N -0.665 117.837 118.700 -0.329 0.000 2.549 308 N HA 0.590 5.331 4.740 0.001 0.000 0.281 308 N C -1.394 173.933 175.510 -0.306 0.000 1.084 308 N CA -0.504 52.393 53.050 -0.254 0.000 0.862 308 N CB 1.968 40.335 38.487 -0.201 0.000 1.333 308 N HN 0.410 nan 8.380 nan 0.000 0.523 309 A N 1.279 123.955 122.820 -0.241 0.000 2.304 309 A HA 0.339 4.660 4.320 0.001 0.000 0.271 309 A C 0.483 177.850 177.584 -0.361 0.000 1.091 309 A CA -0.168 51.688 52.037 -0.302 0.000 0.812 309 A CB 0.392 19.308 19.000 -0.141 0.000 1.056 309 A HN 0.739 nan 8.150 nan 0.000 0.489 310 H N 1.265 120.215 119.070 -0.200 0.000 2.268 310 H HA 0.306 4.863 4.556 0.002 0.000 0.313 310 H C 1.349 176.582 175.328 -0.159 0.000 1.056 310 H CA 1.188 56.989 56.048 -0.412 0.000 1.369 310 H CB -0.522 28.785 29.762 -0.760 0.000 1.422 310 H HN 1.349 nan 8.280 nan 0.000 0.520 311 G N 0.625 109.415 108.800 -0.018 0.000 2.777 311 G HA2 -0.181 3.780 3.960 0.001 0.000 0.686 311 G HA3 -0.181 3.780 3.960 0.001 0.000 0.686 311 G C -0.017 175.071 174.900 0.313 0.000 1.177 311 G CA -0.156 44.932 45.100 -0.019 0.000 0.775 311 G HN 0.562 nan 8.290 nan 0.000 0.613 312 V N 0.618 120.718 119.914 0.309 0.000 2.583 312 V HA 0.197 4.318 4.120 0.001 0.000 0.302 312 V C 1.139 177.527 176.094 0.489 0.000 1.033 312 V CA 0.053 62.669 62.300 0.527 0.000 1.194 312 V CB 0.567 32.606 31.823 0.359 0.000 0.879 312 V HN 0.988 nan 8.190 nan 0.000 0.482 313 H N 8.953 128.300 119.070 0.461 0.000 2.722 313 H HA 0.250 4.807 4.556 0.002 0.000 0.328 313 H C -1.494 173.914 175.328 0.133 0.000 1.067 313 H CA -1.711 54.475 56.048 0.229 0.000 1.447 313 H CB 2.142 31.915 29.762 0.019 0.000 1.469 313 H HN 0.539 nan 8.280 nan 0.000 0.544 314 P HA -0.109 nan 4.420 nan 0.000 0.225 314 P C 0.506 177.866 177.300 0.099 0.000 1.148 314 P CA 1.066 64.229 63.100 0.106 0.000 0.779 314 P CB 0.698 32.416 31.700 0.029 0.000 0.780 315 N N -1.387 117.421 118.700 0.180 0.000 2.454 315 N HA -0.003 4.737 4.740 0.001 0.000 0.177 315 N C 0.113 175.391 175.510 -0.386 0.000 1.049 315 N CA 0.475 53.413 53.050 -0.187 0.000 0.887 315 N CB 0.043 38.280 38.487 -0.416 0.000 1.095 315 N HN 0.244 nan 8.380 nan 0.000 0.446 316 Y N 1.046 121.316 120.300 -0.049 0.000 2.850 316 Y HA 0.459 5.009 4.550 -0.000 0.000 0.360 316 Y C 1.173 177.106 175.900 0.055 0.000 1.174 316 Y CA -0.699 57.342 58.100 -0.098 0.000 1.373 316 Y CB 0.330 38.605 38.460 -0.308 0.000 1.487 316 Y HN 0.014 nan 8.280 nan 0.000 0.553 317 A N 0.297 123.211 122.820 0.157 0.000 2.066 317 A HA -0.129 4.192 4.320 0.001 0.000 0.218 317 A C 1.504 179.177 177.584 0.147 0.000 1.157 317 A CA 1.357 53.493 52.037 0.164 0.000 0.670 317 A CB -0.214 18.845 19.000 0.098 0.000 0.804 317 A HN 0.621 nan 8.150 nan 0.000 0.453 318 D N -1.468 119.000 120.400 0.112 0.000 2.690 318 D HA 0.066 4.706 4.640 0.001 0.000 0.236 318 D C 0.622 176.959 176.300 0.062 0.000 1.218 318 D CA -0.181 53.868 54.000 0.081 0.000 0.829 318 D CB -0.003 40.830 40.800 0.054 0.000 1.009 318 D HN 0.192 nan 8.370 nan 0.000 0.482 319 R N -0.257 120.279 120.500 0.060 0.000 2.476 319 R HA 0.220 4.561 4.340 0.001 0.000 0.276 319 R C -0.159 175.996 176.300 -0.243 0.000 0.941 319 R CA -0.095 55.956 56.100 -0.081 0.000 1.088 319 R CB 0.395 30.634 30.300 -0.101 0.000 1.216 319 R HN 0.366 nan 8.270 nan 0.000 0.533 320 H N -0.299 118.872 119.070 0.168 0.000 2.931 320 H HA 0.340 4.898 4.556 0.002 0.000 0.331 320 H C -0.858 174.557 175.328 0.146 0.000 1.273 320 H CA -0.914 55.247 56.048 0.189 0.000 1.171 320 H CB 1.930 31.834 29.762 0.237 0.000 1.898 320 H HN -0.034 nan 8.280 nan 0.000 0.562 321 D N 0.198 120.789 120.400 0.319 0.000 2.947 321 D HA 0.406 5.046 4.640 0.001 0.000 0.224 321 D C 0.493 176.839 176.300 0.077 0.000 1.230 321 D CA -0.082 54.007 54.000 0.148 0.000 0.871 321 D CB 2.094 42.957 40.800 0.106 0.000 1.671 321 D HN 0.837 nan 8.370 nan 0.000 0.507 322 A N 3.550 126.370 122.820 0.000 0.000 4.191 322 A HA -0.397 3.924 4.320 0.001 0.000 0.361 322 A C 0.355 177.947 177.584 0.013 0.000 1.622 322 A CA 2.217 54.230 52.037 -0.040 0.000 0.840 322 A CB -2.636 16.321 19.000 -0.073 0.000 1.507 322 A HN 0.984 nan 8.150 nan 0.000 0.562 323 N N 2.362 121.080 118.700 0.029 0.000 2.452 323 N HA 0.474 5.215 4.740 0.001 0.000 0.266 323 N C -0.081 175.596 175.510 0.278 0.000 1.175 323 N CA 0.915 54.054 53.050 0.149 0.000 0.945 323 N CB 0.185 38.694 38.487 0.037 0.000 1.063 323 N HN 1.075 nan 8.380 nan 0.000 0.472 324 H N -0.542 118.542 119.070 0.024 0.000 4.265 324 H HA 0.817 5.373 4.556 0.001 0.000 0.401 324 H C -0.197 175.089 175.328 -0.069 0.000 1.309 324 H CA -1.437 54.570 56.048 -0.068 0.000 0.947 324 H CB 0.731 30.463 29.762 -0.050 0.000 0.953 324 H HN 0.587 nan 8.280 nan 0.000 0.744 325 G N 1.433 110.009 108.800 -0.374 0.000 3.265 325 G HA2 0.141 4.102 3.960 0.001 0.000 0.236 325 G HA3 0.141 4.102 3.960 0.001 0.000 0.236 325 G C -3.355 171.443 174.900 -0.169 0.000 3.888 325 G CA -0.542 44.369 45.100 -0.316 0.000 0.423 325 G HN 0.444 nan 8.290 nan 0.000 0.303 326 P HA 0.446 nan 4.420 nan 0.000 0.272 326 P C 0.786 178.087 177.300 0.002 0.000 1.230 326 P CA 0.108 63.202 63.100 -0.010 0.000 0.788 326 P CB 1.037 32.746 31.700 0.015 0.000 0.949 327 A N 1.839 124.691 122.820 0.053 0.000 2.429 327 A HA 0.240 4.561 4.320 0.001 0.000 0.242 327 A C 0.506 178.132 177.584 0.070 0.000 1.088 327 A CA 0.027 52.107 52.037 0.071 0.000 0.784 327 A CB -1.054 18.000 19.000 0.091 0.000 1.038 327 A HN 0.568 nan 8.150 nan 0.000 0.501 328 L N -0.367 120.923 121.223 0.112 0.000 3.754 328 L HA -0.167 4.174 4.340 0.001 0.000 0.410 328 L C -0.305 176.629 176.870 0.107 0.000 1.230 328 L CA 0.904 55.835 54.840 0.152 0.000 0.901 328 L CB -2.278 39.850 42.059 0.115 0.000 1.982 328 L HN 0.825 nan 8.230 nan 0.000 0.822 329 N N -1.038 117.719 118.700 0.095 0.000 2.647 329 N HA 0.719 5.459 4.740 0.001 0.000 0.266 329 N C 0.385 175.876 175.510 -0.032 0.000 1.373 329 N CA -0.003 53.006 53.050 -0.069 0.000 0.807 329 N CB 1.469 39.888 38.487 -0.114 0.000 1.513 329 N HN 0.108 nan 8.380 nan 0.000 0.505 330 G N -0.966 107.677 108.800 -0.262 0.000 2.684 330 G HA2 0.355 4.316 3.960 0.001 0.000 0.255 330 G HA3 0.355 4.316 3.960 0.001 0.000 0.255 330 G C 0.348 175.243 174.900 -0.009 0.000 1.219 330 G CA -0.306 44.726 45.100 -0.114 0.000 0.901 330 G HN 0.465 nan 8.290 nan 0.000 0.548 331 G N 0.442 109.274 108.800 0.054 0.000 2.298 331 G HA2 0.431 4.392 3.960 0.001 0.000 0.263 331 G HA3 0.431 4.392 3.960 0.001 0.000 0.263 331 G C -2.445 172.504 174.900 0.082 0.000 1.229 331 G CA -0.487 44.671 45.100 0.097 0.000 0.976 331 G HN 0.416 nan 8.290 nan 0.000 0.459 332 P HA 0.157 nan 4.420 nan 0.000 0.276 332 P C 0.040 177.384 177.300 0.072 0.000 1.235 332 P CA -0.487 62.636 63.100 0.039 0.000 0.772 332 P CB 1.373 33.074 31.700 0.003 0.000 0.871 333 V N 5.751 125.725 119.914 0.100 0.000 2.381 333 V HA 0.062 4.183 4.120 0.001 0.000 0.257 333 V C 0.718 176.876 176.094 0.107 0.000 1.057 333 V CA 0.044 62.414 62.300 0.117 0.000 1.013 333 V CB -0.913 30.997 31.823 0.145 0.000 1.069 333 V HN 0.386 nan 8.190 nan 0.000 0.484 334 I N 5.568 126.187 120.570 0.082 0.000 2.396 334 I HA 0.292 4.463 4.170 0.001 0.000 0.289 334 I C 0.421 176.613 176.117 0.124 0.000 1.056 334 I CA 0.129 61.488 61.300 0.098 0.000 1.365 334 I CB 0.264 38.330 38.000 0.109 0.000 1.407 334 I HN 0.473 nan 8.210 nan 0.000 0.509 335 K N 7.933 128.378 120.400 0.075 0.000 2.559 335 K HA 0.662 4.983 4.320 0.001 0.000 0.249 335 K C -1.070 175.471 176.600 -0.098 0.000 0.958 335 K CA -0.294 56.027 56.287 0.058 0.000 0.901 335 K CB 1.655 34.246 32.500 0.153 0.000 1.124 335 K HN 0.512 nan 8.250 nan 0.000 0.437 336 I N 2.278 122.699 120.570 -0.247 0.000 2.647 336 I HA 0.265 4.436 4.170 0.001 0.000 0.295 336 I C 0.448 176.405 176.117 -0.267 0.000 1.078 336 I CA -0.615 60.443 61.300 -0.405 0.000 1.048 336 I CB 1.964 39.425 38.000 -0.899 0.000 1.239 336 I HN 0.691 nan 8.210 nan 0.000 0.421 337 N N 2.156 120.756 118.700 -0.167 0.000 2.104 337 N HA -0.043 4.697 4.740 0.001 0.000 0.227 337 N C 1.010 176.472 175.510 -0.080 0.000 1.321 337 N CA 0.197 53.190 53.050 -0.096 0.000 0.877 337 N CB 0.395 38.859 38.487 -0.038 0.000 1.117 337 N HN 0.592 nan 8.380 nan 0.000 0.486 338 S N 2.112 117.760 115.700 -0.087 0.000 2.436 338 S HA -0.068 4.403 4.470 0.001 0.000 0.208 338 S C 1.218 175.783 174.600 -0.058 0.000 1.063 338 S CA 0.969 59.135 58.200 -0.056 0.000 1.120 338 S CB -0.483 62.691 63.200 -0.043 0.000 1.053 338 S HN 0.247 nan 8.310 nan 0.000 0.407 339 N N 0.218 118.875 118.700 -0.071 0.000 2.291 339 N HA 0.333 5.074 4.740 0.001 0.000 0.244 339 N C 0.641 176.115 175.510 -0.061 0.000 1.216 339 N CA 0.005 53.023 53.050 -0.053 0.000 0.879 339 N CB 0.775 39.240 38.487 -0.037 0.000 1.167 339 N HN 0.608 nan 8.380 nan 0.000 0.515 340 Q N -0.540 119.195 119.800 -0.108 0.000 2.527 340 Q HA 0.277 4.618 4.340 0.001 0.000 0.252 340 Q C -0.415 175.541 176.000 -0.073 0.000 0.827 340 Q CA -0.336 55.412 55.803 -0.091 0.000 0.979 340 Q CB 1.068 29.687 28.738 -0.198 0.000 1.248 340 Q HN -0.008 nan 8.270 nan 0.000 0.578 341 R N 1.593 121.986 120.500 -0.177 0.000 2.709 341 R HA -0.182 4.158 4.340 0.001 0.000 0.275 341 R C -1.490 174.839 176.300 0.048 0.000 0.947 341 R CA 0.503 56.544 56.100 -0.098 0.000 0.784 341 R CB -1.491 28.788 30.300 -0.035 0.000 2.000 341 R HN 0.367 nan 8.270 nan 0.000 0.517 342 Y N 0.652 120.924 120.300 -0.046 0.000 2.286 342 Y HA 0.340 4.890 4.550 0.001 0.000 0.347 342 Y C 1.794 177.667 175.900 -0.044 0.000 1.351 342 Y CA -0.667 57.403 58.100 -0.051 0.000 1.640 342 Y CB 0.243 38.665 38.460 -0.063 0.000 1.560 342 Y HN 0.559 nan 8.280 nan 0.000 0.574 343 A N -0.088 122.813 122.820 0.136 0.000 3.894 343 A HA 0.202 4.523 4.320 0.001 0.000 0.155 343 A C 0.262 177.875 177.584 0.049 0.000 1.539 343 A CA 0.433 52.499 52.037 0.048 0.000 1.073 343 A CB -1.188 17.810 19.000 -0.003 0.000 1.250 343 A HN 0.802 nan 8.150 nan 0.000 0.538 344 T N 0.997 115.565 114.554 0.022 0.000 1.654 344 T HA -0.119 4.231 4.350 0.001 0.000 0.631 344 T C -0.160 174.564 174.700 0.040 0.000 0.940 344 T CA 0.881 62.999 62.100 0.031 0.000 3.353 344 T CB -1.802 67.096 68.868 0.051 0.000 1.933 344 T HN 1.123 nan 8.240 nan 0.000 0.395 345 N N 0.686 119.407 118.700 0.035 0.000 2.909 345 N HA 0.657 5.397 4.740 0.001 0.000 0.326 345 N C 1.401 176.942 175.510 0.052 0.000 1.368 345 N CA -0.264 52.808 53.050 0.036 0.000 0.797 345 N CB 0.075 38.574 38.487 0.021 0.000 1.150 345 N HN 0.190 nan 8.380 nan 0.000 0.550 346 S N -0.322 115.406 115.700 0.047 0.000 2.338 346 S HA -0.166 4.304 4.470 0.001 0.000 0.218 346 S C 1.096 175.744 174.600 0.079 0.000 1.032 346 S CA 1.417 59.651 58.200 0.056 0.000 0.999 346 S CB -0.812 62.413 63.200 0.042 0.000 0.905 346 S HN 0.794 nan 8.310 nan 0.000 0.439 347 E N 0.881 121.125 120.200 0.072 0.000 2.416 347 E HA 0.135 4.486 4.350 0.001 0.000 0.189 347 E C 0.488 177.163 176.600 0.125 0.000 1.091 347 E CA 0.384 56.846 56.400 0.104 0.000 0.889 347 E CB -0.227 29.506 29.700 0.055 0.000 1.015 347 E HN 0.304 nan 8.360 nan 0.000 0.479 348 T N 0.155 114.780 114.554 0.118 0.000 3.085 348 T HA 0.186 4.537 4.350 0.001 0.000 0.241 348 T C 1.912 176.725 174.700 0.189 0.000 0.988 348 T CA 0.555 62.731 62.100 0.126 0.000 1.117 348 T CB 0.170 69.068 68.868 0.050 0.000 0.978 348 T HN 0.313 nan 8.240 nan 0.000 0.454 349 A N 1.433 124.345 122.820 0.154 0.000 1.898 349 A HA 0.183 4.504 4.320 0.001 0.000 0.216 349 A C 2.440 180.135 177.584 0.184 0.000 1.181 349 A CA 1.876 54.012 52.037 0.164 0.000 0.620 349 A CB -1.237 17.835 19.000 0.121 0.000 0.819 349 A HN 0.487 nan 8.150 nan 0.000 0.442 350 G N -2.303 106.603 108.800 0.177 0.000 2.448 350 G HA2 -0.097 3.864 3.960 0.001 0.000 0.218 350 G HA3 -0.097 3.864 3.960 0.001 0.000 0.218 350 G C 1.221 176.250 174.900 0.215 0.000 1.135 350 G CA 0.799 45.997 45.100 0.163 0.000 0.784 350 G HN 0.432 nan 8.290 nan 0.000 0.543 351 F N -0.822 119.216 119.950 0.147 0.000 2.789 351 F HA 0.451 4.978 4.527 0.001 0.000 0.300 351 F C 0.433 176.386 175.800 0.254 0.000 1.132 351 F CA -0.299 57.812 58.000 0.186 0.000 1.404 351 F CB 0.429 39.530 39.000 0.167 0.000 1.114 351 F HN 0.062 nan 8.300 nan 0.000 0.584 352 F N 0.498 120.541 119.950 0.156 0.000 2.623 352 F HA 0.338 4.866 4.527 0.001 0.000 0.361 352 F C 0.836 176.652 175.800 0.028 0.000 1.469 352 F CA -0.225 57.813 58.000 0.063 0.000 1.126 352 F CB -0.202 38.817 39.000 0.031 0.000 1.221 352 F HN -0.137 nan 8.300 nan 0.000 0.536 353 R N -1.148 119.323 120.500 -0.047 0.000 3.071 353 R HA 0.011 4.352 4.340 0.001 0.000 0.138 353 R C 1.584 177.844 176.300 -0.068 0.000 0.826 353 R CA 0.251 56.315 56.100 -0.061 0.000 1.659 353 R CB -0.298 30.023 30.300 0.035 0.000 1.678 353 R HN 0.465 nan 8.270 nan 0.000 0.514 354 H N 1.191 120.183 119.070 -0.129 0.000 2.436 354 H HA 0.007 4.564 4.556 0.001 0.000 0.294 354 H C 1.675 176.890 175.328 -0.188 0.000 1.048 354 H CA 1.080 57.041 56.048 -0.146 0.000 1.353 354 H CB 0.515 30.190 29.762 -0.145 0.000 1.414 354 H HN 0.182 nan 8.280 nan 0.000 0.536 355 L N 0.887 121.895 121.223 -0.357 0.000 2.201 355 L HA -0.135 4.206 4.340 0.001 0.000 0.212 355 L C 2.574 179.213 176.870 -0.384 0.000 1.105 355 L CA 1.207 55.813 54.840 -0.389 0.000 0.775 355 L CB -1.254 40.663 42.059 -0.236 0.000 0.913 355 L HN 0.439 nan 8.230 nan 0.000 0.440 356 C N -0.411 118.638 119.300 -0.417 0.000 2.505 356 C HA -0.105 4.356 4.460 0.001 0.000 0.279 356 C C 2.798 177.648 174.990 -0.234 0.000 1.316 356 C CA 0.734 59.535 59.018 -0.361 0.000 1.720 356 C CB -0.326 27.173 27.740 -0.402 0.000 2.050 356 C HN 0.624 nan 8.230 nan 0.000 0.493 357 Q N -0.002 119.675 119.800 -0.204 0.000 2.119 357 Q HA -0.204 4.137 4.340 0.001 0.000 0.201 357 Q C 1.923 177.835 176.000 -0.146 0.000 0.972 357 Q CA 1.749 57.471 55.803 -0.135 0.000 0.847 357 Q CB -0.376 28.325 28.738 -0.063 0.000 0.903 357 Q HN 0.681 nan 8.270 nan 0.000 0.433 358 D N -0.494 119.761 120.400 -0.242 0.000 2.144 358 D HA -0.078 4.563 4.640 0.001 0.000 0.199 358 D C 0.505 176.717 176.300 -0.147 0.000 0.984 358 D CA 0.904 54.769 54.000 -0.225 0.000 0.834 358 D CB 0.212 40.788 40.800 -0.373 0.000 0.955 358 D HN 0.105 nan 8.370 nan 0.000 0.465 359 S N 0.549 116.160 115.700 -0.148 0.000 2.552 359 S HA 0.142 4.612 4.470 0.001 0.000 0.246 359 S C -0.743 173.813 174.600 -0.074 0.000 1.019 359 S CA -0.265 57.878 58.200 -0.095 0.000 1.045 359 S CB 0.495 63.643 63.200 -0.088 0.000 0.784 359 S HN 0.226 nan 8.310 nan 0.000 0.453 360 E N 0.418 120.570 120.200 -0.079 0.000 7.548 360 E HA -0.134 4.217 4.350 0.001 0.000 0.443 360 E C 0.148 176.698 176.600 -0.084 0.000 0.387 360 E CA 0.100 56.462 56.400 -0.063 0.000 0.714 360 E CB -0.654 29.029 29.700 -0.028 0.000 0.961 360 E HN 0.302 nan 8.360 nan 0.000 0.264 361 V N -0.019 119.834 119.914 -0.102 0.000 4.037 361 V HA 0.480 4.601 4.120 0.001 0.000 0.263 361 V C -1.735 174.235 176.094 -0.206 0.000 0.880 361 V CA -0.476 61.739 62.300 -0.142 0.000 0.823 361 V CB -0.426 31.323 31.823 -0.122 0.000 1.171 361 V HN 0.630 nan 8.190 nan 0.000 0.378 362 P HA 0.474 nan 4.420 nan 0.000 0.297 362 P C -0.910 176.279 177.300 -0.185 0.000 1.319 362 P CA -0.204 62.775 63.100 -0.201 0.000 0.810 362 P CB 1.453 33.035 31.700 -0.197 0.000 0.947 363 V N 4.094 123.930 119.914 -0.131 0.000 2.439 363 V HA 0.260 4.381 4.120 0.001 0.000 0.282 363 V C -0.010 176.050 176.094 -0.058 0.000 1.039 363 V CA 0.002 62.247 62.300 -0.093 0.000 0.913 363 V CB 1.089 32.855 31.823 -0.095 0.000 0.983 363 V HN 0.540 nan 8.190 nan 0.000 0.460 364 Q N 3.473 123.250 119.800 -0.038 0.000 2.823 364 Q HA 0.806 5.146 4.340 0.001 0.000 0.230 364 Q C -0.846 175.170 176.000 0.028 0.000 1.026 364 Q CA -0.652 55.134 55.803 -0.029 0.000 0.940 364 Q CB 2.128 30.818 28.738 -0.081 0.000 1.382 364 Q HN 0.921 nan 8.270 nan 0.000 0.502 365 S N -0.802 114.931 115.700 0.054 0.000 2.547 365 S HA 0.681 5.151 4.470 0.001 0.000 0.270 365 S C -0.967 173.774 174.600 0.236 0.000 1.150 365 S CA -0.779 57.501 58.200 0.133 0.000 0.850 365 S CB 1.165 64.446 63.200 0.136 0.000 1.118 365 S HN 0.691 nan 8.310 nan 0.000 0.461 366 F N -0.410 119.563 119.950 0.037 0.000 2.183 366 F HA -0.146 4.382 4.527 0.001 0.000 0.318 366 F C 0.502 176.342 175.800 0.066 0.000 1.277 366 F CA 0.848 58.882 58.000 0.057 0.000 0.914 366 F CB -0.436 38.602 39.000 0.063 0.000 4.133 366 F HN 0.830 nan 8.300 nan 0.000 0.140 367 V N 1.027 120.842 119.914 -0.165 0.000 3.487 367 V HA 0.173 4.293 4.120 0.001 0.000 0.263 367 V C 0.130 176.324 176.094 0.167 0.000 1.722 367 V CA 1.291 63.634 62.300 0.072 0.000 1.066 367 V CB 0.877 32.730 31.823 0.049 0.000 0.905 367 V HN 0.999 nan 8.190 nan 0.000 0.387 368 T N 0.090 114.505 114.554 -0.231 0.000 2.844 368 T HA 0.651 5.001 4.350 0.001 0.000 0.274 368 T C -0.414 174.373 174.700 0.146 0.000 0.991 368 T CA -0.466 61.564 62.100 -0.116 0.000 0.983 368 T CB 1.623 70.316 68.868 -0.292 0.000 1.310 368 T HN 0.343 nan 8.240 nan 0.000 0.596 369 R N -0.221 120.344 120.500 0.108 0.000 2.837 369 R HA 0.492 4.832 4.340 0.001 0.000 0.271 369 R C 1.218 177.595 176.300 0.129 0.000 0.993 369 R CA -0.722 55.486 56.100 0.179 0.000 0.931 369 R CB 1.598 31.954 30.300 0.094 0.000 1.206 369 R HN 0.578 nan 8.270 nan 0.000 0.474 370 S N 0.359 116.139 115.700 0.133 0.000 2.368 370 S HA -0.179 4.292 4.470 0.001 0.000 0.225 370 S C 1.178 175.803 174.600 0.042 0.000 1.030 370 S CA 1.481 59.733 58.200 0.087 0.000 0.999 370 S CB -0.074 63.168 63.200 0.070 0.000 0.844 370 S HN 0.679 nan 8.310 nan 0.000 0.459 371 D N -0.094 120.327 120.400 0.034 0.000 2.162 371 D HA 0.068 4.708 4.640 0.001 0.000 0.205 371 D C 1.166 177.468 176.300 0.002 0.000 0.964 371 D CA 0.436 54.445 54.000 0.014 0.000 0.847 371 D CB 0.148 40.955 40.800 0.013 0.000 0.988 371 D HN 0.310 nan 8.370 nan 0.000 0.480 372 M N -0.344 119.257 119.600 0.002 0.000 2.066 372 M HA 0.365 4.846 4.480 0.001 0.000 0.203 372 M C 0.014 176.298 176.300 -0.027 0.000 1.145 372 M CA 0.799 56.088 55.300 -0.018 0.000 1.084 372 M CB 1.179 33.761 32.600 -0.028 0.000 1.177 372 M HN 0.172 nan 8.290 nan 0.000 0.588 373 G N 0.567 109.342 108.800 -0.041 0.000 3.039 373 G HA2 -0.045 3.915 3.960 0.001 0.000 0.686 373 G HA3 -0.045 3.915 3.960 0.001 0.000 0.686 373 G C -1.061 173.817 174.900 -0.036 0.000 1.066 373 G CA -0.545 44.527 45.100 -0.046 0.000 0.774 373 G HN 1.292 nan 8.290 nan 0.000 0.591 374 C N 2.330 121.619 119.300 -0.017 0.000 2.686 374 C HA 1.016 5.476 4.460 0.001 0.000 0.318 374 C C 1.798 176.802 174.990 0.024 0.000 1.160 374 C CA 0.437 59.449 59.018 -0.010 0.000 1.396 374 C CB 1.274 28.999 27.740 -0.026 0.000 1.924 374 C HN 3.005 nan 8.230 nan 0.000 0.471 375 G N 2.354 111.170 108.800 0.026 0.000 2.684 375 G HA2 -0.264 3.697 3.960 0.001 0.000 0.358 375 G HA3 -0.264 3.697 3.960 0.001 0.000 0.358 375 G C 0.839 175.814 174.900 0.124 0.000 1.164 375 G CA 2.114 47.243 45.100 0.048 0.000 0.935 375 G HN 2.859 nan 8.290 nan 0.000 0.574 376 S N -0.586 115.153 115.700 0.066 0.000 3.572 376 S HA -0.133 4.337 4.470 0.001 0.000 0.394 376 S C 0.755 175.322 174.600 -0.055 0.000 0.923 376 S CA 1.733 59.941 58.200 0.014 0.000 1.291 376 S CB -1.829 61.401 63.200 0.052 0.000 0.914 376 S HN 2.474 nan 8.310 nan 0.000 0.545 377 T N 1.561 116.090 114.554 -0.043 0.000 3.820 377 T HA 0.379 4.730 4.350 0.001 0.000 0.224 377 T C 0.920 175.552 174.700 -0.113 0.000 0.869 377 T CA -0.223 61.841 62.100 -0.059 0.000 0.932 377 T CB -0.696 68.147 68.868 -0.041 0.000 1.259 377 T HN 0.784 nan 8.240 nan 0.000 0.676 378 I N -0.141 120.314 120.570 -0.191 0.000 2.578 378 I HA 0.427 4.598 4.170 0.001 0.000 0.286 378 I C 1.101 177.174 176.117 -0.073 0.000 1.126 378 I CA 0.061 61.280 61.300 -0.134 0.000 1.380 378 I CB -1.110 36.782 38.000 -0.179 0.000 1.408 378 I HN 0.589 nan 8.210 nan 0.000 0.532 379 G N 9.050 117.864 108.800 0.023 0.000 2.700 379 G HA2 -0.303 3.657 3.960 0.001 0.000 0.350 379 G HA3 -0.303 3.657 3.960 0.001 0.000 0.350 379 G C -2.121 172.780 174.900 0.002 0.000 1.250 379 G CA 0.206 45.364 45.100 0.096 0.000 0.978 379 G HN 0.670 nan 8.290 nan 0.000 0.551 380 P HA 0.340 nan 4.420 nan 0.000 0.256 380 P C 0.391 177.637 177.300 -0.088 0.000 1.189 380 P CA 1.412 64.457 63.100 -0.091 0.000 0.808 380 P CB 0.471 32.109 31.700 -0.103 0.000 0.793 381 I N 2.226 122.749 120.570 -0.079 0.000 4.882 381 I HA -0.197 3.974 4.170 0.001 0.000 0.312 381 I C 0.980 177.075 176.117 -0.038 0.000 0.566 381 I CA 1.642 62.917 61.300 -0.042 0.000 1.552 381 I CB -0.917 37.077 38.000 -0.011 0.000 3.326 381 I HN 0.181 nan 8.210 nan 0.000 1.037 382 T N 0.576 115.103 114.554 -0.045 0.000 3.051 382 T HA 0.467 4.818 4.350 0.001 0.000 0.255 382 T C 1.477 176.159 174.700 -0.030 0.000 1.085 382 T CA 0.758 62.840 62.100 -0.031 0.000 1.109 382 T CB 0.024 68.871 68.868 -0.035 0.000 0.921 382 T HN 0.454 nan 8.240 nan 0.000 0.488 383 A N 1.276 124.035 122.820 -0.102 0.000 2.218 383 A HA 0.278 4.599 4.320 0.001 0.000 0.209 383 A C 2.211 179.635 177.584 -0.266 0.000 1.168 383 A CA 0.238 52.098 52.037 -0.296 0.000 0.804 383 A CB -0.444 18.201 19.000 -0.592 0.000 0.834 383 A HN 0.354 nan 8.150 nan 0.000 0.482 384 S N 0.008 115.621 115.700 -0.146 0.000 2.555 384 S HA -0.076 4.395 4.470 0.001 0.000 0.230 384 S C 1.665 176.224 174.600 -0.068 0.000 0.978 384 S CA 0.780 58.914 58.200 -0.109 0.000 0.934 384 S CB -0.119 63.038 63.200 -0.072 0.000 0.766 384 S HN 0.584 nan 8.310 nan 0.000 0.533 385 Q N 0.787 120.562 119.800 -0.041 0.000 2.437 385 Q HA 0.058 4.399 4.340 0.001 0.000 0.210 385 Q C 1.927 177.951 176.000 0.039 0.000 0.972 385 Q CA 0.465 56.274 55.803 0.009 0.000 0.903 385 Q CB -0.551 28.210 28.738 0.037 0.000 0.967 385 Q HN 0.373 nan 8.270 nan 0.000 0.486 386 V N -1.062 118.856 119.914 0.007 0.000 2.295 386 V HA -0.087 4.034 4.120 0.001 0.000 0.246 386 V C 1.366 177.440 176.094 -0.033 0.000 1.049 386 V CA 1.746 64.075 62.300 0.050 0.000 1.024 386 V CB -0.547 31.245 31.823 -0.051 0.000 0.648 386 V HN 0.521 nan 8.190 nan 0.000 0.447 387 G N -0.673 108.073 108.800 -0.090 0.000 2.245 387 G HA2 -0.069 3.892 3.960 0.001 0.000 0.116 387 G HA3 -0.069 3.892 3.960 0.001 0.000 0.116 387 G C -0.472 174.351 174.900 -0.128 0.000 1.054 387 G CA -0.190 44.853 45.100 -0.095 0.000 0.728 387 G HN 0.422 nan 8.290 nan 0.000 0.483 388 V N 0.258 120.097 119.914 -0.125 0.000 2.680 388 V HA 0.598 4.718 4.120 0.001 0.000 0.309 388 V C 0.778 176.820 176.094 -0.087 0.000 1.052 388 V CA -1.318 60.914 62.300 -0.113 0.000 0.908 388 V CB 1.800 33.548 31.823 -0.125 0.000 1.001 388 V HN 0.411 nan 8.190 nan 0.000 0.431 389 R N 1.573 122.029 120.500 -0.073 0.000 2.537 389 R HA 0.458 4.799 4.340 0.001 0.000 0.280 389 R C -0.425 175.833 176.300 -0.070 0.000 1.058 389 R CA 0.054 56.116 56.100 -0.063 0.000 1.057 389 R CB 0.370 30.631 30.300 -0.064 0.000 0.973 389 R HN 0.731 nan 8.270 nan 0.000 0.438 390 T N 2.139 116.649 114.554 -0.072 0.000 2.841 390 T HA 0.220 4.571 4.350 0.001 0.000 0.285 390 T C -0.338 174.294 174.700 -0.113 0.000 0.991 390 T CA -0.706 61.334 62.100 -0.100 0.000 0.966 390 T CB 1.757 70.564 68.868 -0.101 0.000 0.962 390 T HN 0.190 nan 8.240 nan 0.000 0.438 391 V N 3.662 123.460 119.914 -0.194 0.000 2.372 391 V HA 0.207 4.327 4.120 0.001 0.000 0.261 391 V C 0.433 176.366 176.094 -0.269 0.000 1.055 391 V CA -0.554 61.591 62.300 -0.258 0.000 0.930 391 V CB 0.627 32.143 31.823 -0.511 0.000 1.031 391 V HN 0.836 nan 8.190 nan 0.000 0.479 392 D N 5.525 125.833 120.400 -0.154 0.000 2.468 392 D HA 0.372 5.012 4.640 0.001 0.000 0.218 392 D C -0.142 176.085 176.300 -0.121 0.000 1.155 392 D CA -0.135 53.780 54.000 -0.140 0.000 0.924 392 D CB 0.768 41.521 40.800 -0.079 0.000 1.029 392 D HN 0.549 nan 8.370 nan 0.000 0.515 393 I N -0.101 120.365 120.570 -0.172 0.000 3.573 393 I HA 0.935 5.106 4.170 0.001 0.000 0.285 393 I C 0.709 176.775 176.117 -0.085 0.000 1.203 393 I CA -0.680 60.563 61.300 -0.094 0.000 1.033 393 I CB 1.745 39.709 38.000 -0.060 0.000 1.348 393 I HN 0.203 nan 8.210 nan 0.000 0.525 394 G N 0.126 108.917 108.800 -0.015 0.000 2.529 394 G HA2 0.572 4.532 3.960 0.001 0.000 0.238 394 G HA3 0.572 4.532 3.960 0.001 0.000 0.238 394 G C -1.980 172.987 174.900 0.112 0.000 1.207 394 G CA -0.834 44.269 45.100 0.006 0.000 0.928 394 G HN 0.632 nan 8.290 nan 0.000 0.495 395 L N 0.929 122.223 121.223 0.118 0.000 2.436 395 L HA 0.422 4.762 4.340 0.001 0.000 0.268 395 L C -2.617 174.283 176.870 0.049 0.000 0.974 395 L CA -1.870 53.045 54.840 0.125 0.000 0.826 395 L CB 3.044 45.230 42.059 0.211 0.000 1.291 395 L HN 0.202 nan 8.230 nan 0.000 0.406 396 P HA 0.036 nan 4.420 nan 0.000 0.256 396 P C -0.994 176.341 177.300 0.058 0.000 1.189 396 P CA 0.593 63.705 63.100 0.020 0.000 0.808 396 P CB 0.233 31.946 31.700 0.023 0.000 0.793 397 T N 3.962 118.540 114.554 0.041 0.000 3.395 397 T HA 0.378 4.729 4.350 0.001 0.000 0.330 397 T C -0.912 173.871 174.700 0.139 0.000 1.076 397 T CA -0.207 61.953 62.100 0.101 0.000 1.070 397 T CB 0.451 69.372 68.868 0.088 0.000 1.119 397 T HN -0.041 nan 8.240 nan 0.000 0.462 398 F N 1.964 122.024 119.950 0.183 0.000 2.544 398 F HA 0.712 5.239 4.527 0.001 0.000 0.378 398 F C 0.894 176.819 175.800 0.209 0.000 1.112 398 F CA -0.452 57.706 58.000 0.265 0.000 1.115 398 F CB 0.848 40.027 39.000 0.298 0.000 1.436 398 F HN 0.809 nan 8.300 nan 0.000 0.496 399 A N 1.772 125.003 122.820 0.685 0.000 2.610 399 A HA -0.245 4.075 4.320 0.001 0.000 0.299 399 A C 0.145 177.903 177.584 0.289 0.000 1.487 399 A CA 0.769 53.029 52.037 0.371 0.000 0.743 399 A CB -2.379 16.780 19.000 0.266 0.000 1.070 399 A HN 0.645 nan 8.150 nan 0.000 0.439 400 M N -0.352 119.437 119.600 0.315 0.000 1.921 400 M HA 0.432 4.913 4.480 0.001 0.000 0.243 400 M C 1.496 177.974 176.300 0.296 0.000 1.280 400 M CA 1.146 56.614 55.300 0.280 0.000 0.988 400 M CB -0.006 32.773 32.600 0.299 0.000 1.336 400 M HN 0.586 nan 8.290 nan 0.000 0.496 401 H N -1.389 117.723 119.070 0.069 0.000 2.731 401 H HA -0.172 4.385 4.556 0.001 0.000 0.305 401 H C -0.265 175.084 175.328 0.035 0.000 1.132 401 H CA 0.472 56.543 56.048 0.039 0.000 1.148 401 H CB -1.206 28.565 29.762 0.016 0.000 1.379 401 H HN 0.551 nan 8.280 nan 0.000 0.398 402 S N -0.705 115.076 115.700 0.135 0.000 3.132 402 S HA 0.644 5.115 4.470 0.001 0.000 0.322 402 S C 0.393 175.033 174.600 0.068 0.000 1.124 402 S CA -0.441 57.819 58.200 0.100 0.000 0.906 402 S CB 1.312 64.583 63.200 0.119 0.000 1.349 402 S HN 0.261 nan 8.310 nan 0.000 0.686 403 I N 0.868 121.478 120.570 0.067 0.000 3.424 403 I HA 0.580 4.750 4.170 0.001 0.000 0.339 403 I C 0.061 176.200 176.117 0.038 0.000 1.549 403 I CA -0.199 61.124 61.300 0.039 0.000 1.049 403 I CB 0.187 38.209 38.000 0.037 0.000 1.439 403 I HN 0.414 nan 8.210 nan 0.000 0.500 404 R N 1.202 121.730 120.500 0.048 0.000 3.221 404 R HA 0.243 4.583 4.340 0.001 0.000 0.274 404 R C -1.568 174.776 176.300 0.072 0.000 0.909 404 R CA -0.841 55.286 56.100 0.044 0.000 0.803 404 R CB 0.478 30.806 30.300 0.046 0.000 1.513 404 R HN 0.192 nan 8.270 nan 0.000 0.491 405 E N 0.931 121.172 120.200 0.069 0.000 7.527 405 E HA -0.116 4.235 4.350 0.001 0.000 0.389 405 E C -1.925 174.742 176.600 0.112 0.000 0.568 405 E CA 0.872 57.326 56.400 0.090 0.000 1.067 405 E CB -0.231 29.534 29.700 0.107 0.000 0.942 405 E HN 0.880 nan 8.360 nan 0.000 0.262 406 L N 1.155 122.438 121.223 0.100 0.000 2.826 406 L HA 0.168 4.508 4.340 0.001 0.000 0.520 406 L C -0.743 176.200 176.870 0.122 0.000 1.002 406 L CA 2.588 57.496 54.840 0.113 0.000 1.275 406 L CB -0.822 41.320 42.059 0.138 0.000 1.319 406 L HN 1.714 nan 8.230 nan 0.000 0.648 407 A N 3.959 126.842 122.820 0.105 0.000 2.246 407 A HA 0.629 4.950 4.320 0.001 0.000 0.302 407 A C 0.220 177.861 177.584 0.094 0.000 0.999 407 A CA -0.272 51.828 52.037 0.104 0.000 0.998 407 A CB -0.497 18.563 19.000 0.100 0.000 1.183 407 A HN 1.990 nan 8.150 nan 0.000 0.351 408 G N 0.827 109.688 108.800 0.102 0.000 2.484 408 G HA2 0.425 4.385 3.960 0.001 0.000 0.235 408 G HA3 0.425 4.385 3.960 0.001 0.000 0.235 408 G C 0.748 175.708 174.900 0.100 0.000 1.282 408 G CA 0.650 45.816 45.100 0.111 0.000 0.857 408 G HN 1.650 nan 8.290 nan 0.000 0.571 409 S N 0.545 116.305 115.700 0.099 0.000 2.519 409 S HA 0.248 4.719 4.470 0.001 0.000 0.245 409 S C 0.689 175.292 174.600 0.005 0.000 1.152 409 S CA -0.353 57.874 58.200 0.045 0.000 1.175 409 S CB -0.389 62.829 63.200 0.030 0.000 0.829 409 S HN 0.762 nan 8.310 nan 0.000 0.472 410 H N -0.923 118.144 119.070 -0.004 0.000 3.710 410 H HA 0.190 4.746 4.556 0.001 0.000 0.245 410 H C 0.843 176.070 175.328 -0.168 0.000 1.011 410 H CA 0.187 56.193 56.048 -0.071 0.000 1.098 410 H CB 0.391 30.177 29.762 0.041 0.000 1.406 410 H HN 0.392 nan 8.280 nan 0.000 0.657 411 D N 2.012 122.510 120.400 0.163 0.000 2.178 411 D HA -0.141 4.500 4.640 0.001 0.000 0.201 411 D C 2.091 178.423 176.300 0.053 0.000 0.980 411 D CA 1.250 55.377 54.000 0.211 0.000 0.842 411 D CB 0.055 40.949 40.800 0.156 0.000 0.948 411 D HN 0.339 nan 8.370 nan 0.000 0.472 412 L N -0.477 120.725 121.223 -0.035 0.000 2.201 412 L HA 0.145 4.485 4.340 0.001 0.000 0.212 412 L C 2.101 178.902 176.870 -0.117 0.000 1.105 412 L CA 1.559 56.347 54.840 -0.087 0.000 0.775 412 L CB -1.797 40.205 42.059 -0.094 0.000 0.913 412 L HN -0.006 nan 8.230 nan 0.000 0.440 413 A N 0.086 122.785 122.820 -0.201 0.000 2.066 413 A HA -0.122 4.198 4.320 0.001 0.000 0.218 413 A C 1.868 179.324 177.584 -0.213 0.000 1.157 413 A CA 1.048 52.946 52.037 -0.231 0.000 0.670 413 A CB -0.813 18.012 19.000 -0.291 0.000 0.804 413 A HN 0.653 nan 8.150 nan 0.000 0.453 414 H N -2.040 117.049 119.070 0.032 0.000 2.520 414 H HA 0.198 4.755 4.556 0.001 0.000 0.279 414 H C 1.747 177.073 175.328 -0.005 0.000 0.990 414 H CA 0.700 56.754 56.048 0.009 0.000 1.288 414 H CB 0.172 29.939 29.762 0.007 0.000 1.446 414 H HN 0.373 nan 8.280 nan 0.000 0.538 415 L N 1.323 122.593 121.223 0.078 0.000 2.179 415 L HA -0.071 4.270 4.340 0.001 0.000 0.208 415 L C 2.171 179.044 176.870 0.005 0.000 1.096 415 L CA 0.620 55.481 54.840 0.036 0.000 0.779 415 L CB -0.099 41.945 42.059 -0.026 0.000 0.922 415 L HN 0.278 nan 8.230 nan 0.000 0.443 416 V N -2.780 117.125 119.914 -0.015 0.000 2.379 416 V HA -0.136 3.985 4.120 0.001 0.000 0.245 416 V C 1.697 177.802 176.094 0.018 0.000 1.044 416 V CA 0.932 63.225 62.300 -0.011 0.000 1.036 416 V CB -0.924 30.883 31.823 -0.028 0.000 0.664 416 V HN 0.295 nan 8.190 nan 0.000 0.453 417 K N -0.583 119.830 120.400 0.022 0.000 2.140 417 K HA 0.379 4.699 4.320 0.001 0.000 0.237 417 K C 1.005 177.620 176.600 0.025 0.000 1.045 417 K CA 0.597 56.901 56.287 0.027 0.000 0.896 417 K CB 1.275 33.792 32.500 0.028 0.000 1.122 417 K HN 0.136 nan 8.250 nan 0.000 0.503 418 V N -0.655 119.258 119.914 -0.001 0.000 0.558 418 V HA -0.447 3.674 4.120 0.001 0.000 0.092 418 V C 1.674 177.809 176.094 0.069 0.000 2.022 418 V CA 2.281 64.553 62.300 -0.046 0.000 3.478 418 V CB -1.428 30.306 31.823 -0.149 0.000 0.770 418 V HN 0.786 nan 8.190 nan 0.000 0.801 419 L N 0.505 121.793 121.223 0.108 0.000 2.141 419 L HA 0.028 4.369 4.340 0.001 0.000 0.209 419 L C 2.449 179.320 176.870 0.003 0.000 1.094 419 L CA 1.850 56.757 54.840 0.111 0.000 0.763 419 L CB -0.640 41.419 42.059 -0.000 0.000 0.908 419 L HN 0.649 nan 8.230 nan 0.000 0.437 420 G N -0.676 108.153 108.800 0.049 0.000 2.421 420 G HA2 -0.158 3.803 3.960 0.001 0.000 0.217 420 G HA3 -0.158 3.803 3.960 0.001 0.000 0.217 420 G C 1.695 176.680 174.900 0.142 0.000 1.143 420 G CA 0.682 45.860 45.100 0.131 0.000 0.784 420 G HN 0.444 nan 8.290 nan 0.000 0.541 421 A N 0.368 123.247 122.820 0.099 0.000 2.016 421 A HA 0.226 4.546 4.320 0.001 0.000 0.217 421 A C 2.017 179.674 177.584 0.122 0.000 1.162 421 A CA 1.125 53.208 52.037 0.078 0.000 0.662 421 A CB -0.414 18.597 19.000 0.018 0.000 0.812 421 A HN 0.444 nan 8.150 nan 0.000 0.450 422 F N -0.633 119.337 119.950 0.032 0.000 2.234 422 F HA -0.117 4.411 4.527 0.001 0.000 0.299 422 F C 1.394 177.274 175.800 0.134 0.000 1.087 422 F CA 0.960 59.013 58.000 0.088 0.000 1.340 422 F CB -0.333 38.738 39.000 0.118 0.000 1.031 422 F HN 0.267 nan 8.300 nan 0.000 0.500 423 Y N 1.327 121.533 120.300 -0.157 0.000 2.621 423 Y HA 0.362 4.913 4.550 0.001 0.000 0.330 423 Y C 0.797 176.590 175.900 -0.180 0.000 1.219 423 Y CA -0.310 57.641 58.100 -0.248 0.000 1.286 423 Y CB -1.367 37.068 38.460 -0.041 0.000 1.053 423 Y HN 0.201 nan 8.280 nan 0.000 0.498 424 A N -2.216 120.594 122.820 -0.016 0.000 2.588 424 A HA 0.745 5.065 4.320 0.001 0.000 0.290 424 A C 0.050 177.632 177.584 -0.003 0.000 1.136 424 A CA -0.244 51.790 52.037 -0.006 0.000 0.681 424 A CB 0.747 19.760 19.000 0.022 0.000 1.282 424 A HN 0.025 nan 8.150 nan 0.000 0.421 425 S N -1.105 114.601 115.700 0.009 0.000 3.377 425 S HA 0.043 4.514 4.470 0.001 0.000 0.846 425 S C 0.056 174.698 174.600 0.071 0.000 1.142 425 S CA 0.334 58.554 58.200 0.034 0.000 1.051 425 S CB -1.087 62.132 63.200 0.031 0.000 0.704 425 S HN 1.704 nan 8.310 nan 0.000 0.286 426 S N 0.000 115.754 115.700 0.090 0.000 2.498 426 S HA 0.000 4.471 4.470 0.001 0.000 0.327 426 S CA 0.000 58.277 58.200 0.129 0.000 1.107 426 S CB 0.000 63.239 63.200 0.066 0.000 0.593 426 S HN 0.000 nan 8.310 nan 0.000 0.517