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_L 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 0.000 176.691 176.870 -0.299 0.000 1.165 9 L CA 0.000 54.360 54.840 -0.801 0.000 0.813 9 L CB 0.000 nan 42.059 nan 0.000 0.961 10 I N 0.268 120.723 120.570 -0.192 0.000 2.517 10 I HA 0.562 4.732 4.170 0.001 0.000 0.285 10 I C 0.678 176.781 176.117 -0.024 0.000 1.106 10 I CA 0.390 61.650 61.300 -0.067 0.000 1.402 10 I CB 1.029 39.018 38.000 -0.020 0.000 1.399 10 I HN 0.528 nan 8.210 nan 0.000 0.535 11 D N 7.276 127.686 120.400 0.017 0.000 3.085 11 D HA 0.078 4.719 4.640 0.001 0.000 0.243 11 D C 0.169 176.543 176.300 0.122 0.000 1.232 11 D CA 0.588 54.612 54.000 0.040 0.000 0.913 11 D CB -0.146 40.675 40.800 0.036 0.000 1.108 11 D HN 0.603 nan 8.370 nan 0.000 0.468 12 F N 0.023 119.942 119.950 -0.052 0.000 2.570 12 F HA 0.182 4.710 4.527 0.001 0.000 0.290 12 F C 1.228 176.996 175.800 -0.052 0.000 0.910 12 F CA -0.111 57.862 58.000 -0.044 0.000 1.119 12 F CB 0.162 39.137 39.000 -0.042 0.000 0.922 12 F HN 0.040 nan 8.300 nan 0.000 0.703 13 L N -0.234 120.942 121.223 -0.077 0.000 2.509 13 L HA 0.250 4.591 4.340 0.001 0.000 0.222 13 L C 1.784 178.557 176.870 -0.162 0.000 1.123 13 L CA 0.884 55.617 54.840 -0.177 0.000 0.856 13 L CB -0.372 41.645 42.059 -0.070 0.000 0.985 13 L HN 0.075 nan 8.230 nan 0.000 0.456 14 K N 1.720 122.054 120.400 -0.111 0.000 2.243 14 K HA 0.155 4.476 4.320 0.001 0.000 0.201 14 K C 1.603 178.152 176.600 -0.085 0.000 1.051 14 K CA 1.183 57.420 56.287 -0.083 0.000 0.970 14 K CB -0.068 32.403 32.500 -0.049 0.000 0.755 14 K HN 0.385 nan 8.250 nan 0.000 0.465 15 A N -0.224 122.524 122.820 -0.119 0.000 2.359 15 A HA 0.197 4.518 4.320 0.001 0.000 0.240 15 A C 1.071 178.543 177.584 -0.188 0.000 1.306 15 A CA 0.192 52.156 52.037 -0.121 0.000 0.898 15 A CB -0.206 18.736 19.000 -0.096 0.000 0.956 15 A HN 0.254 nan 8.150 nan 0.000 0.497 16 S N 0.461 116.036 115.700 -0.209 0.000 2.591 16 S HA 0.076 4.546 4.470 0.001 0.000 0.235 16 S C -0.799 173.704 174.600 -0.162 0.000 1.074 16 S CA 0.591 58.658 58.200 -0.222 0.000 0.925 16 S CB -0.352 62.674 63.200 -0.290 0.000 0.818 16 S HN 0.545 nan 8.310 nan 0.000 0.535 17 P HA 0.095 nan 4.420 nan 0.000 0.231 17 P C 0.913 178.080 177.300 -0.222 0.000 1.168 17 P CA 1.024 63.981 63.100 -0.239 0.000 0.779 17 P CB -0.271 31.258 31.700 -0.285 0.000 0.844 18 T N 1.425 115.946 114.554 -0.054 0.000 2.643 18 T HA -0.035 4.315 4.350 0.001 0.000 0.264 18 T C -0.652 174.069 174.700 0.036 0.000 1.045 18 T CA 2.241 64.370 62.100 0.048 0.000 1.155 18 T CB -1.773 67.117 68.868 0.036 0.000 0.863 18 T HN 0.248 nan 8.240 nan 0.000 0.420 19 P HA 0.052 nan 4.420 nan 0.000 0.225 19 P C 1.127 178.434 177.300 0.011 0.000 1.156 19 P CA 0.445 63.546 63.100 0.002 0.000 0.787 19 P CB -0.142 31.549 31.700 -0.015 0.000 0.802 20 F N 0.428 120.283 119.950 -0.158 0.000 2.113 20 F HA -0.191 4.337 4.527 0.001 0.000 0.297 20 F C 2.171 177.897 175.800 -0.123 0.000 1.103 20 F CA 1.775 59.664 58.000 -0.185 0.000 1.248 20 F CB -0.946 37.886 39.000 -0.279 0.000 0.999 20 F HN -0.002 nan 8.300 nan 0.000 0.475 21 H N -0.605 118.408 119.070 -0.095 0.000 2.422 21 H HA -0.064 4.493 4.556 0.001 0.000 0.298 21 H C 2.318 177.539 175.328 -0.179 0.000 1.098 21 H CA 0.821 56.763 56.048 -0.177 0.000 1.315 21 H CB -0.244 29.504 29.762 -0.023 0.000 1.382 21 H HN 0.388 nan 8.280 nan 0.000 0.523 22 A N 0.399 123.215 122.820 -0.006 0.000 1.930 22 A HA -0.175 4.146 4.320 0.001 0.000 0.217 22 A C 2.462 179.992 177.584 -0.091 0.000 1.175 22 A CA 1.858 53.875 52.037 -0.034 0.000 0.627 22 A CB -0.751 18.242 19.000 -0.012 0.000 0.815 22 A HN 0.566 nan 8.150 nan 0.000 0.443 23 T N -3.009 111.454 114.554 -0.152 0.000 3.009 23 T HA 0.351 4.702 4.350 0.001 0.000 0.258 23 T C 1.294 175.826 174.700 -0.279 0.000 1.063 23 T CA 0.815 62.805 62.100 -0.183 0.000 1.139 23 T CB -0.254 68.516 68.868 -0.163 0.000 0.890 23 T HN 0.568 nan 8.240 nan 0.000 0.471 24 A N 2.243 124.784 122.820 -0.465 0.000 3.019 24 A HA 0.512 4.833 4.320 0.001 0.000 0.262 24 A C 2.040 179.472 177.584 -0.254 0.000 1.509 24 A CA 0.183 51.908 52.037 -0.520 0.000 1.159 24 A CB -0.934 17.386 19.000 -1.133 0.000 1.042 24 A HN 0.587 nan 8.150 nan 0.000 0.641 25 S N -0.642 114.954 115.700 -0.174 0.000 2.399 25 S HA 0.010 4.481 4.470 0.001 0.000 0.231 25 S C 0.653 175.188 174.600 -0.109 0.000 1.022 25 S CA 0.949 59.079 58.200 -0.117 0.000 0.983 25 S CB -0.310 62.828 63.200 -0.103 0.000 0.803 25 S HN 0.492 nan 8.310 nan 0.000 0.480 26 L N -1.069 120.088 121.223 -0.111 0.000 2.171 26 L HA 0.824 5.164 4.340 0.001 0.000 0.253 26 L C 1.283 178.125 176.870 -0.047 0.000 1.054 26 L CA 0.018 54.807 54.840 -0.085 0.000 0.927 26 L CB 0.600 42.594 42.059 -0.109 0.000 1.513 26 L HN -0.027 nan 8.230 nan 0.000 0.471 27 A N 0.012 122.829 122.820 -0.006 0.000 1.898 27 A HA -0.105 4.215 4.320 0.001 0.000 0.216 27 A C 1.875 179.487 177.584 0.046 0.000 1.181 27 A CA 1.801 53.865 52.037 0.046 0.000 0.620 27 A CB -0.593 18.460 19.000 0.088 0.000 0.819 27 A HN 0.740 nan 8.150 nan 0.000 0.442 28 R N -1.841 118.681 120.500 0.036 0.000 2.210 28 R HA 0.144 4.485 4.340 0.001 0.000 0.203 28 R C 1.647 177.959 176.300 0.021 0.000 1.010 28 R CA 0.334 56.464 56.100 0.051 0.000 1.008 28 R CB -0.149 30.189 30.300 0.064 0.000 0.923 28 R HN 0.176 nan 8.270 nan 0.000 0.469 29 R N 1.059 121.543 120.500 -0.028 0.000 2.153 29 R HA 0.050 4.390 4.340 0.001 0.000 0.218 29 R C 2.098 178.320 176.300 -0.130 0.000 1.072 29 R CA 0.566 56.621 56.100 -0.075 0.000 0.990 29 R CB -0.522 29.718 30.300 -0.100 0.000 0.889 29 R HN 0.312 nan 8.270 nan 0.000 0.452 30 L N 0.988 122.142 121.223 -0.115 0.000 2.072 30 L HA -0.133 4.207 4.340 0.001 0.000 0.205 30 L C 2.330 179.199 176.870 -0.002 0.000 1.079 30 L CA 1.391 56.149 54.840 -0.138 0.000 0.752 30 L CB -0.105 41.926 42.059 -0.047 0.000 0.906 30 L HN 0.038 nan 8.230 nan 0.000 0.436 31 E N 0.024 120.251 120.200 0.045 0.000 2.077 31 E HA -0.229 4.122 4.350 0.001 0.000 0.193 31 E C 2.026 178.687 176.600 0.102 0.000 0.989 31 E CA 1.553 58.023 56.400 0.116 0.000 0.800 31 E CB -0.132 29.656 29.700 0.147 0.000 0.746 31 E HN 0.552 nan 8.360 nan 0.000 0.452 32 A N 0.636 123.455 122.820 -0.002 0.000 1.877 32 A HA -0.034 4.286 4.320 0.001 0.000 0.216 32 A C 2.392 179.696 177.584 -0.467 0.000 1.186 32 A CA 1.901 53.793 52.037 -0.242 0.000 0.620 32 A CB -0.949 17.988 19.000 -0.106 0.000 0.822 32 A HN 0.375 nan 8.150 nan 0.000 0.443 33 A N -0.658 122.025 122.820 -0.228 0.000 2.119 33 A HA 0.251 4.572 4.320 0.001 0.000 0.217 33 A C 2.199 179.796 177.584 0.021 0.000 1.153 33 A CA 1.554 53.511 52.037 -0.134 0.000 0.692 33 A CB -1.018 17.881 19.000 -0.167 0.000 0.799 33 A HN 0.633 nan 8.150 nan 0.000 0.458 34 G N -0.151 108.663 108.800 0.023 0.000 2.434 34 G HA2 -0.191 3.770 3.960 0.001 0.000 0.214 34 G HA3 -0.191 3.770 3.960 0.001 0.000 0.214 34 G C 1.478 176.327 174.900 -0.085 0.000 1.202 34 G CA 1.177 46.311 45.100 0.057 0.000 0.788 34 G HN 0.831 nan 8.290 nan 0.000 0.539 35 Y N 0.026 120.234 120.300 -0.153 0.000 2.516 35 Y HA 0.315 4.865 4.550 0.001 0.000 0.291 35 Y C 2.649 178.451 175.900 -0.162 0.000 1.131 35 Y CA 0.459 58.352 58.100 -0.346 0.000 1.281 35 Y CB -0.140 38.018 38.460 -0.503 0.000 1.013 35 Y HN -0.005 nan 8.280 nan 0.000 0.554 36 R N 0.459 120.702 120.500 -0.429 0.000 2.115 36 R HA -0.081 4.259 4.340 0.001 0.000 0.230 36 R C 2.372 178.623 176.300 -0.083 0.000 1.111 36 R CA 1.387 57.348 56.100 -0.233 0.000 0.976 36 R CB -0.161 29.966 30.300 -0.287 0.000 0.870 36 R HN 0.379 nan 8.270 nan 0.000 0.445 37 R N 0.449 120.898 120.500 -0.085 0.000 2.146 37 R HA 0.038 4.378 4.340 0.001 0.000 0.206 37 R C 0.454 176.724 176.300 -0.050 0.000 1.049 37 R CA 0.174 56.241 56.100 -0.056 0.000 1.029 37 R CB 0.082 30.342 30.300 -0.066 0.000 0.949 37 R HN 0.034 nan 8.270 nan 0.000 0.471 38 L N 3.963 125.139 121.223 -0.077 0.000 2.376 38 L HA 0.097 4.437 4.340 0.001 0.000 0.250 38 L C -1.576 175.270 176.870 -0.040 0.000 1.335 38 L CA 0.435 55.226 54.840 -0.083 0.000 1.214 38 L CB -0.239 41.736 42.059 -0.140 0.000 1.395 38 L HN 0.172 nan 8.230 nan 0.000 0.424 39 D N 2.601 123.017 120.400 0.027 0.000 2.614 39 D HA 0.234 4.875 4.640 0.001 0.000 0.203 39 D C -0.747 175.589 176.300 0.059 0.000 1.312 39 D CA -0.504 53.555 54.000 0.099 0.000 0.889 39 D CB 0.966 41.874 40.800 0.180 0.000 1.615 39 D HN 0.092 nan 8.370 nan 0.000 0.567 50 G N 0.216 108.937 108.800 -0.133 0.000 2.562 50 G HA2 0.604 4.564 3.960 0.001 0.000 0.275 50 G HA3 0.604 4.564 3.960 0.001 0.000 0.275 50 G C 0.337 174.965 174.900 -0.452 0.000 1.196 50 G CA -0.723 44.106 45.100 -0.451 0.000 0.908 50 G HN 0.673 nan 8.290 nan 0.000 0.524 51 R N -1.134 118.930 120.500 -0.727 0.000 2.522 51 R HA 0.229 4.569 4.340 0.001 0.000 0.373 51 R C -1.171 175.004 176.300 -0.208 0.000 1.062 51 R CA -0.827 55.079 56.100 -0.323 0.000 1.167 51 R CB -1.173 29.020 30.300 -0.179 0.000 1.378 51 R HN 0.409 nan 8.270 nan 0.000 0.662 52 Y N 1.044 121.389 120.300 0.076 0.000 2.281 52 Y HA 0.487 5.038 4.550 0.001 0.000 0.337 52 Y C 0.491 176.474 175.900 0.138 0.000 1.304 52 Y CA -0.755 57.369 58.100 0.040 0.000 1.465 52 Y CB 0.412 38.856 38.460 -0.026 0.000 1.350 52 Y HN 0.254 nan 8.280 nan 0.000 0.575 53 Y N -2.797 117.617 120.300 0.191 0.000 2.544 53 Y HA 0.769 5.319 4.550 0.001 0.000 0.342 53 Y C -1.879 174.062 175.900 0.069 0.000 1.062 53 Y CA -1.859 56.310 58.100 0.114 0.000 1.023 53 Y CB 0.627 39.142 38.460 0.092 0.000 1.308 53 Y HN 0.327 nan 8.280 nan 0.000 0.457 54 V N 2.248 122.283 119.914 0.201 0.000 2.513 54 V HA 0.441 4.562 4.120 0.001 0.000 0.299 54 V C -0.050 176.138 176.094 0.157 0.000 1.035 54 V CA -0.143 62.212 62.300 0.091 0.000 0.889 54 V CB 1.514 33.367 31.823 0.050 0.000 0.988 54 V HN 1.098 nan 8.190 nan 0.000 0.440 55 T N 1.532 116.141 114.554 0.092 0.000 3.026 55 T HA 0.169 4.519 4.350 0.001 0.000 0.245 55 T C 1.435 176.160 174.700 0.041 0.000 1.004 55 T CA 0.484 62.640 62.100 0.093 0.000 1.069 55 T CB 0.150 69.055 68.868 0.061 0.000 1.005 55 T HN 0.680 nan 8.240 nan 0.000 0.472 56 R N 0.972 121.475 120.500 0.005 0.000 3.692 56 R HA -0.328 4.012 4.340 0.001 0.000 0.302 56 R C 1.184 177.473 176.300 -0.019 0.000 0.595 56 R CA 2.226 58.316 56.100 -0.016 0.000 1.154 56 R CB -1.557 28.731 30.300 -0.021 0.000 0.832 56 R HN 0.428 nan 8.270 nan 0.000 0.575 57 N N 1.158 119.850 118.700 -0.013 0.000 2.461 57 N HA -0.080 4.660 4.740 0.001 0.000 0.188 57 N C -0.677 174.828 175.510 -0.008 0.000 1.134 57 N CA 1.113 54.148 53.050 -0.025 0.000 0.878 57 N CB 0.128 38.598 38.487 -0.027 0.000 0.972 57 N HN 0.381 nan 8.380 nan 0.000 0.456 58 D N -0.640 119.772 120.400 0.021 0.000 2.981 58 D HA -0.129 4.512 4.640 0.001 0.000 0.223 58 D C -0.017 176.329 176.300 0.078 0.000 1.151 58 D CA 0.793 54.825 54.000 0.053 0.000 0.827 58 D CB -1.377 39.447 40.800 0.040 0.000 1.101 58 D HN 0.279 nan 8.370 nan 0.000 0.426 59 S N -1.772 113.975 115.700 0.078 0.000 2.546 59 S HA 0.092 4.562 4.470 0.001 0.000 0.282 59 S C 0.210 174.878 174.600 0.114 0.000 1.074 59 S CA -0.179 58.079 58.200 0.097 0.000 1.254 59 S CB 1.159 64.415 63.200 0.093 0.000 1.103 59 S HN 0.104 nan 8.310 nan 0.000 0.589 60 S N 2.228 117.989 115.700 0.101 0.000 2.520 60 S HA 0.607 5.078 4.470 0.001 0.000 0.324 60 S C -1.004 173.659 174.600 0.106 0.000 1.069 60 S CA -0.385 57.884 58.200 0.115 0.000 1.121 60 S CB 1.342 64.596 63.200 0.090 0.000 0.971 60 S HN 0.284 nan 8.310 nan 0.000 0.463 61 L N 4.680 125.972 121.223 0.116 0.000 2.309 61 L HA 0.655 4.995 4.340 0.001 0.000 0.282 61 L C -1.099 175.851 176.870 0.133 0.000 1.036 61 L CA -0.318 54.601 54.840 0.131 0.000 0.806 61 L CB 0.920 43.050 42.059 0.119 0.000 1.220 61 L HN 0.593 nan 8.230 nan 0.000 0.429 62 I N 4.995 125.663 120.570 0.162 0.000 2.439 62 I HA 0.478 4.648 4.170 0.001 0.000 0.283 62 I C -0.397 175.839 176.117 0.197 0.000 1.023 62 I CA -0.542 60.858 61.300 0.167 0.000 1.100 62 I CB 1.797 39.891 38.000 0.157 0.000 1.238 62 I HN 0.705 nan 8.210 nan 0.000 0.445 63 A N 8.000 130.925 122.820 0.175 0.000 2.294 63 A HA 0.761 5.082 4.320 0.001 0.000 0.316 63 A C -0.491 177.188 177.584 0.158 0.000 1.359 63 A CA -0.290 51.857 52.037 0.183 0.000 0.956 63 A CB -0.163 18.907 19.000 0.117 0.000 1.155 63 A HN 0.599 nan 8.150 nan 0.000 0.544 64 I N 2.251 122.933 120.570 0.187 0.000 2.392 64 I HA 0.538 4.708 4.170 0.001 0.000 0.295 64 I C 0.581 176.773 176.117 0.126 0.000 0.985 64 I CA -0.317 61.096 61.300 0.189 0.000 1.221 64 I CB 1.291 39.439 38.000 0.248 0.000 1.366 64 I HN 0.618 nan 8.210 nan 0.000 0.467 65 R N 6.792 127.344 120.500 0.086 0.000 2.532 65 R HA 0.610 4.951 4.340 0.001 0.000 0.297 65 R C -1.900 174.405 176.300 0.007 0.000 0.984 65 R CA -0.592 55.504 56.100 -0.007 0.000 0.884 65 R CB 1.337 31.592 30.300 -0.075 0.000 1.182 65 R HN 0.693 nan 8.270 nan 0.000 0.442 66 L N 2.608 123.822 121.223 -0.014 0.000 2.360 66 L HA 0.725 5.066 4.340 0.001 0.000 0.271 66 L C 0.846 177.692 176.870 -0.039 0.000 1.057 66 L CA -0.688 54.148 54.840 -0.006 0.000 0.803 66 L CB 1.932 44.013 42.059 0.037 0.000 1.207 66 L HN 0.821 nan 8.230 nan 0.000 0.445 71 P HA 0.272 nan 4.420 nan 0.000 0.249 71 P C 0.961 178.225 177.300 -0.061 0.000 1.686 71 P CA 0.019 63.071 63.100 -0.080 0.000 0.873 71 P CB -0.185 31.471 31.700 -0.072 0.000 1.828 72 L N 0.168 121.360 121.223 -0.052 0.000 3.572 72 L HA -0.344 3.997 4.340 0.001 0.000 0.053 72 L C 1.267 178.121 176.870 -0.026 0.000 4.349 72 L CA 2.692 57.523 54.840 -0.015 0.000 0.629 72 L CB -1.239 40.823 42.059 0.005 0.000 3.504 72 L HN 0.331 nan 8.230 nan 0.000 0.812 73 E N -0.432 119.752 120.200 -0.026 0.000 2.359 73 E HA 0.138 4.489 4.350 0.001 0.000 0.187 73 E C 1.356 177.934 176.600 -0.036 0.000 1.081 73 E CA 0.797 57.183 56.400 -0.022 0.000 0.929 73 E CB 0.440 30.133 29.700 -0.011 0.000 1.086 73 E HN 0.530 nan 8.360 nan 0.000 0.462 74 S N -0.091 115.570 115.700 -0.066 0.000 2.506 74 S HA 0.339 4.809 4.470 0.001 0.000 0.219 74 S C 0.978 175.521 174.600 -0.094 0.000 1.031 74 S CA 0.673 58.825 58.200 -0.079 0.000 0.911 74 S CB -0.039 63.098 63.200 -0.106 0.000 0.812 74 S HN 0.627 nan 8.310 nan 0.000 0.497 75 G N 0.453 109.185 108.800 -0.113 0.000 2.741 75 G HA2 -0.192 3.768 3.960 0.001 0.000 0.222 75 G HA3 -0.192 3.768 3.960 0.001 0.000 0.222 75 G C -0.587 174.205 174.900 -0.179 0.000 1.364 75 G CA -0.285 44.768 45.100 -0.078 0.000 0.866 75 G HN 0.392 nan 8.290 nan 0.000 0.555 76 F N -0.138 119.810 119.950 -0.002 0.000 2.575 76 F HA 0.772 5.300 4.527 0.001 0.000 0.330 76 F C 1.092 176.915 175.800 0.037 0.000 1.056 76 F CA -0.910 57.103 58.000 0.022 0.000 0.964 76 F CB 1.976 40.996 39.000 0.033 0.000 1.258 76 F HN 0.254 nan 8.300 nan 0.000 0.484 77 R N 3.003 123.694 120.500 0.319 0.000 2.868 77 R HA 0.333 4.673 4.340 0.001 0.000 0.289 77 R C -1.454 175.105 176.300 0.431 0.000 1.443 77 R CA -0.511 55.732 56.100 0.239 0.000 1.651 77 R CB -0.053 30.208 30.300 -0.065 0.000 1.242 77 R HN 0.456 nan 8.270 nan 0.000 0.621 78 L N 0.425 121.870 121.223 0.371 0.000 2.439 78 L HA 0.412 4.753 4.340 0.001 0.000 0.269 78 L C 0.547 177.575 176.870 0.263 0.000 1.179 78 L CA -0.093 54.901 54.840 0.257 0.000 0.828 78 L CB 0.811 42.921 42.059 0.086 0.000 1.106 78 L HN -0.012 nan 8.230 nan 0.000 0.467 79 V N 1.072 121.107 119.914 0.201 0.000 3.023 79 V HA 0.932 5.052 4.120 0.001 0.000 0.294 79 V C -0.666 175.480 176.094 0.086 0.000 1.324 79 V CA 0.294 62.654 62.300 0.100 0.000 0.979 79 V CB 1.998 33.890 31.823 0.115 0.000 1.093 79 V HN 0.904 nan 8.190 nan 0.000 0.434 80 G N 3.234 112.047 108.800 0.023 0.000 2.547 80 G HA2 0.961 4.922 3.960 0.001 0.000 0.291 80 G HA3 0.961 4.922 3.960 0.001 0.000 0.291 80 G C -1.252 173.627 174.900 -0.035 0.000 1.471 80 G CA 0.017 45.121 45.100 0.007 0.000 0.798 80 G HN 1.873 nan 8.290 nan 0.000 0.504 81 A N 0.136 122.890 122.820 -0.111 0.000 2.589 81 A HA 0.791 5.111 4.320 0.001 0.000 0.296 81 A C -0.514 176.951 177.584 -0.198 0.000 1.062 81 A CA -0.536 51.435 52.037 -0.110 0.000 0.686 81 A CB 0.709 19.659 19.000 -0.085 0.000 1.282 81 A HN 2.032 nan 8.150 nan 0.000 0.404 82 H N -0.409 118.623 119.070 -0.063 0.000 2.679 82 H HA 0.537 5.094 4.556 0.001 0.000 0.369 82 H C 1.145 176.503 175.328 0.050 0.000 1.178 82 H CA 0.368 56.436 56.048 0.032 0.000 1.419 82 H CB 0.516 30.413 29.762 0.224 0.000 1.458 82 H HN 0.592 nan 8.280 nan 0.000 0.605 83 T N -1.945 112.716 114.554 0.177 0.000 3.033 83 T HA -0.034 4.316 4.350 0.001 0.000 0.248 83 T C 0.562 175.359 174.700 0.161 0.000 1.040 83 T CA 0.169 62.343 62.100 0.123 0.000 1.133 83 T CB -0.322 68.621 68.868 0.125 0.000 0.895 83 T HN 0.818 nan 8.240 nan 0.000 0.465 84 D N 2.670 123.239 120.400 0.281 0.000 2.360 84 D HA 0.344 4.984 4.640 0.001 0.000 0.242 84 D C -0.281 176.172 176.300 0.256 0.000 1.184 84 D CA -0.286 53.869 54.000 0.259 0.000 0.930 84 D CB 1.144 42.131 40.800 0.311 0.000 1.161 84 D HN 0.501 nan 8.370 nan 0.000 0.447 85 S N -1.260 114.539 115.700 0.166 0.000 2.536 85 S HA 0.484 4.955 4.470 0.001 0.000 0.271 85 S C -3.116 171.497 174.600 0.022 0.000 1.134 85 S CA -1.476 56.758 58.200 0.057 0.000 0.897 85 S CB 1.465 64.676 63.200 0.019 0.000 1.094 85 S HN 0.205 nan 8.310 nan 0.000 0.473 86 P HA 0.165 nan 4.420 nan 0.000 0.255 86 P C 0.007 177.301 177.300 -0.011 0.000 1.173 86 P CA 0.094 63.113 63.100 -0.136 0.000 0.780 86 P CB -0.630 30.913 31.700 -0.261 0.000 0.758 87 C N 2.357 121.703 119.300 0.076 0.000 3.311 87 C HA 0.641 5.102 4.460 0.001 0.000 0.366 87 C C -1.134 173.868 174.990 0.021 0.000 1.694 87 C CA -1.076 57.959 59.018 0.029 0.000 1.244 87 C CB 0.348 28.085 27.740 -0.004 0.000 2.038 87 C HN 0.199 nan 8.230 nan 0.000 0.436 88 L N 2.068 123.258 121.223 -0.055 0.000 2.272 88 L HA 0.568 4.909 4.340 0.001 0.000 0.284 88 L C 0.330 177.114 176.870 -0.144 0.000 1.045 88 L CA 0.191 54.979 54.840 -0.088 0.000 0.842 88 L CB 0.324 42.311 42.059 -0.119 0.000 1.224 88 L HN 0.704 nan 8.230 nan 0.000 0.430 89 R N 2.483 122.897 120.500 -0.143 0.000 2.298 89 R HA 0.445 4.785 4.340 0.001 0.000 0.310 89 R C -0.867 175.333 176.300 -0.166 0.000 1.068 89 R CA -0.360 55.605 56.100 -0.225 0.000 0.957 89 R CB 0.627 30.728 30.300 -0.332 0.000 1.003 89 R HN 0.360 nan 8.270 nan 0.000 0.454 90 V N 5.448 125.274 119.914 -0.146 0.000 2.572 90 V HA 0.085 4.205 4.120 0.001 0.000 0.291 90 V C 0.744 176.802 176.094 -0.059 0.000 1.039 90 V CA -0.173 62.078 62.300 -0.082 0.000 1.055 90 V CB 0.651 32.458 31.823 -0.026 0.000 0.969 90 V HN 0.761 nan 8.190 nan 0.000 0.482 91 K N 5.128 125.505 120.400 -0.038 0.000 2.187 91 K HA 0.145 4.466 4.320 0.001 0.000 0.247 91 K C -1.465 175.134 176.600 -0.001 0.000 1.019 91 K CA -1.010 55.262 56.287 -0.024 0.000 0.893 91 K CB 0.050 32.543 32.500 -0.011 0.000 1.025 91 K HN 0.371 nan 8.250 nan 0.000 0.500 92 P HA -0.213 nan 4.420 nan 0.000 0.209 92 P C -0.344 176.972 177.300 0.026 0.000 1.167 92 P CA 1.540 64.651 63.100 0.019 0.000 0.941 92 P CB 0.196 31.907 31.700 0.018 0.000 0.787 93 N N -1.424 117.290 118.700 0.023 0.000 2.750 93 N HA 0.177 4.917 4.740 0.001 0.000 0.253 93 N C -2.568 172.956 175.510 0.024 0.000 1.408 93 N CA -0.678 52.392 53.050 0.033 0.000 0.780 93 N CB 1.309 39.801 38.487 0.009 0.000 1.191 93 N HN 0.157 nan 8.380 nan 0.000 0.511 94 P HA 0.232 nan 4.420 nan 0.000 0.206 94 P C -0.533 176.798 177.300 0.052 0.000 1.854 94 P CA -0.184 62.937 63.100 0.034 0.000 0.969 94 P CB 0.164 31.882 31.700 0.029 0.000 1.843 95 E N 1.710 121.937 120.200 0.045 0.000 2.081 95 E HA 0.166 4.517 4.350 0.001 0.000 0.270 95 E C 0.135 176.761 176.600 0.044 0.000 1.180 95 E CA 0.046 56.481 56.400 0.058 0.000 0.926 95 E CB 0.551 30.269 29.700 0.030 0.000 1.035 95 E HN 0.471 nan 8.360 nan 0.000 0.418 96 I N 2.102 122.708 120.570 0.060 0.000 2.371 96 I HA 0.267 4.438 4.170 0.001 0.000 0.282 96 I C 0.056 176.214 176.117 0.067 0.000 1.031 96 I CA -0.687 60.646 61.300 0.055 0.000 1.180 96 I CB 1.427 39.461 38.000 0.056 0.000 1.336 96 I HN 0.275 nan 8.210 nan 0.000 0.467 97 A N 7.555 130.404 122.820 0.049 0.000 2.341 97 A HA 0.673 4.994 4.320 0.001 0.000 0.326 97 A C -0.105 177.496 177.584 0.027 0.000 1.402 97 A CA -0.481 51.582 52.037 0.043 0.000 0.957 97 A CB 0.182 19.196 19.000 0.024 0.000 1.151 97 A HN 0.726 nan 8.150 nan 0.000 0.533 98 R N 2.457 122.986 120.500 0.048 0.000 2.561 98 R HA 0.377 4.718 4.340 0.001 0.000 0.297 98 R C -0.452 175.823 176.300 -0.042 0.000 0.969 98 R CA -0.840 55.280 56.100 0.032 0.000 0.879 98 R CB 1.169 31.521 30.300 0.086 0.000 1.178 98 R HN 0.796 nan 8.270 nan 0.000 0.445 99 N N 1.268 119.882 118.700 -0.144 0.000 2.714 99 N HA -0.216 4.524 4.740 0.001 0.000 0.250 99 N C 0.632 175.641 175.510 -0.834 0.000 1.117 99 N CA 1.564 54.398 53.050 -0.359 0.000 0.719 99 N CB -0.954 37.417 38.487 -0.193 0.000 1.081 99 N HN 1.129 nan 8.380 nan 0.000 0.557 100 G N -1.780 106.706 108.800 -0.525 0.000 2.179 100 G HA2 -0.318 3.642 3.960 0.001 0.000 0.260 100 G HA3 -0.318 3.642 3.960 0.001 0.000 0.260 100 G C -0.049 174.611 174.900 -0.401 0.000 0.977 100 G CA 0.382 45.199 45.100 -0.472 0.000 0.641 100 G HN 0.441 nan 8.290 nan 0.000 0.533 101 F N -0.047 119.909 119.950 0.010 0.000 2.436 101 F HA 0.686 5.214 4.527 0.001 0.000 0.340 101 F C 0.595 176.405 175.800 0.017 0.000 1.113 101 F CA -1.208 56.797 58.000 0.009 0.000 1.022 101 F CB 1.642 40.648 39.000 0.010 0.000 1.128 101 F HN 0.026 nan 8.300 nan 0.000 0.466 102 L N 3.735 125.073 121.223 0.193 0.000 2.292 102 L HA 0.397 4.738 4.340 0.001 0.000 0.284 102 L C -0.668 176.282 176.870 0.134 0.000 1.065 102 L CA -0.094 54.824 54.840 0.129 0.000 0.806 102 L CB 0.960 43.076 42.059 0.094 0.000 1.175 102 L HN 0.696 nan 8.230 nan 0.000 0.431 103 Q N 4.766 124.642 119.800 0.126 0.000 2.423 103 Q HA 0.565 4.906 4.340 0.001 0.000 0.278 103 Q C -1.521 174.550 176.000 0.120 0.000 1.097 103 Q CA -0.845 55.031 55.803 0.121 0.000 0.809 103 Q CB 3.046 31.844 28.738 0.099 0.000 1.391 103 Q HN 0.553 nan 8.270 nan 0.000 0.428 104 L N 1.309 122.609 121.223 0.127 0.000 2.345 104 L HA 0.471 4.812 4.340 0.001 0.000 0.274 104 L C 0.415 177.307 176.870 0.037 0.000 0.999 104 L CA -0.789 54.111 54.840 0.099 0.000 0.849 104 L CB 1.548 43.693 42.059 0.142 0.000 1.220 104 L HN 0.723 nan 8.230 nan 0.000 0.422 105 G N 2.656 111.471 108.800 0.025 0.000 2.414 105 G HA2 0.365 4.326 3.960 0.001 0.000 0.236 105 G HA3 0.365 4.326 3.960 0.001 0.000 0.236 105 G C -0.121 174.764 174.900 -0.025 0.000 1.293 105 G CA -0.127 44.972 45.100 -0.001 0.000 0.869 105 G HN 0.440 nan 8.290 nan 0.000 0.556 106 V N 0.063 119.950 119.914 -0.044 0.000 2.823 106 V HA 0.658 4.779 4.120 0.001 0.000 0.312 106 V C -0.266 175.799 176.094 -0.050 0.000 1.072 106 V CA -1.385 60.875 62.300 -0.065 0.000 0.937 106 V CB 2.058 33.822 31.823 -0.098 0.000 1.013 106 V HN 0.755 nan 8.190 nan 0.000 0.430 107 E N 1.486 121.656 120.200 -0.051 0.000 2.266 107 E HA 0.466 4.816 4.350 0.001 0.000 0.277 107 E C -0.733 175.866 176.600 -0.002 0.000 1.018 107 E CA -0.826 55.560 56.400 -0.023 0.000 0.840 107 E CB 2.201 31.887 29.700 -0.024 0.000 1.082 107 E HN 0.635 nan 8.360 nan 0.000 0.395 108 V N 4.051 123.971 119.914 0.010 0.000 2.055 108 V HA -0.033 4.088 4.120 0.001 0.000 0.248 108 V C -0.406 175.710 176.094 0.035 0.000 1.476 108 V CA -0.136 62.171 62.300 0.012 0.000 1.417 108 V CB -1.561 30.262 31.823 -0.000 0.000 1.465 108 V HN 0.519 nan 8.190 nan 0.000 0.502 109 Y N 3.715 123.968 120.300 -0.079 0.000 2.436 109 Y HA 0.510 5.060 4.550 0.001 0.000 0.336 109 Y C 1.082 176.935 175.900 -0.077 0.000 1.049 109 Y CA 1.260 59.309 58.100 -0.085 0.000 1.294 109 Y CB 0.383 38.772 38.460 -0.119 0.000 1.179 109 Y HN 0.768 nan 8.280 nan 0.000 0.520 110 G N 3.733 112.180 108.800 -0.589 0.000 2.498 110 G HA2 -0.166 3.795 3.960 0.001 0.000 0.251 110 G HA3 -0.166 3.795 3.960 0.001 0.000 0.251 110 G C 0.346 175.135 174.900 -0.185 0.000 1.170 110 G CA -0.390 44.420 45.100 -0.482 0.000 0.944 110 G HN 1.255 nan 8.290 nan 0.000 0.567 111 G N -0.423 108.328 108.800 -0.082 0.000 2.616 111 G HA2 0.708 4.668 3.960 0.001 0.000 0.268 111 G HA3 0.708 4.668 3.960 0.001 0.000 0.268 111 G C 0.843 175.764 174.900 0.034 0.000 1.213 111 G CA 1.306 46.484 45.100 0.129 0.000 0.926 111 G HN 1.947 nan 8.290 nan 0.000 0.523 112 A N -0.991 121.840 122.820 0.019 0.000 3.750 112 A HA 0.811 5.131 4.320 0.001 0.000 0.188 112 A C 0.530 178.080 177.584 -0.057 0.000 1.870 112 A CA 0.215 52.234 52.037 -0.030 0.000 1.748 112 A CB -0.581 18.381 19.000 -0.063 0.000 1.266 112 A HN 1.377 nan 8.150 nan 0.000 0.382 113 L N -3.764 117.348 121.223 -0.185 0.000 0.586 113 L HA -0.223 4.117 4.340 0.001 0.000 0.356 113 L C 0.501 177.239 176.870 -0.220 0.000 0.958 113 L CA 0.083 54.710 54.840 -0.355 0.000 1.223 113 L CB -0.788 41.179 42.059 -0.154 0.000 0.019 113 L HN 0.733 nan 8.230 nan 0.000 0.091 114 F N 0.421 120.474 119.950 0.172 0.000 2.100 114 F HA 0.301 4.828 4.527 -0.001 0.000 0.280 114 F C 1.689 177.775 175.800 0.477 0.000 1.276 114 F CA 0.796 58.976 58.000 0.300 0.000 1.109 114 F CB -0.695 38.344 39.000 0.066 0.000 0.982 114 F HN 0.576 nan 8.300 nan 0.000 0.506 115 A N 2.033 125.192 122.820 0.566 0.000 2.526 115 A HA 0.146 4.466 4.320 0.001 0.000 0.267 115 A C -1.475 176.256 177.584 0.244 0.000 1.095 115 A CA -0.970 51.300 52.037 0.389 0.000 0.775 115 A CB -1.053 18.087 19.000 0.234 0.000 1.036 115 A HN 0.329 nan 8.150 nan 0.000 0.510 116 P HA -0.260 nan 4.420 nan 0.000 0.235 116 P C 0.174 177.576 177.300 0.171 0.000 1.024 116 P CA 1.841 65.005 63.100 0.106 0.000 1.059 116 P CB -0.473 31.225 31.700 -0.003 0.000 0.714 117 W N -1.341 120.071 121.300 0.188 0.000 2.480 117 W HA 0.124 4.784 4.660 0.001 0.000 0.337 117 W C 1.099 177.904 176.519 0.477 0.000 1.201 117 W CA 0.823 58.350 57.345 0.303 0.000 1.309 117 W CB -0.790 28.867 29.460 0.328 0.000 1.168 117 W HN 0.056 nan 8.180 nan 0.000 0.566 118 F N -0.885 119.213 119.950 0.247 0.000 2.183 118 F HA -0.357 4.171 4.527 0.001 0.000 0.318 118 F C 0.733 176.591 175.800 0.096 0.000 0.587 118 F CA 0.330 58.421 58.000 0.151 0.000 0.912 118 F CB -1.647 37.440 39.000 0.144 0.000 4.135 118 F HN 0.499 nan 8.300 nan 0.000 0.137 119 D N -0.871 119.719 120.400 0.317 0.000 10.890 119 D HA -0.145 4.495 4.640 0.001 0.000 0.359 119 D C 0.689 177.058 176.300 0.116 0.000 3.118 119 D CA 0.676 54.782 54.000 0.178 0.000 2.613 119 D CB -0.147 40.740 40.800 0.146 0.000 1.178 119 D HN 0.463 nan 8.370 nan 0.000 0.941 120 R N 0.825 121.379 120.500 0.089 0.000 2.070 120 R HA -0.077 4.264 4.340 0.001 0.000 0.233 120 R C -0.028 176.326 176.300 0.091 0.000 1.137 120 R CA 1.532 57.676 56.100 0.073 0.000 0.945 120 R CB -0.674 29.662 30.300 0.060 0.000 0.845 120 R HN 0.669 nan 8.270 nan 0.000 0.430 121 D N -0.279 120.173 120.400 0.086 0.000 10.484 121 D HA -0.179 4.461 4.640 0.001 0.000 0.318 121 D C -0.631 175.782 176.300 0.189 0.000 3.002 121 D CA 0.753 54.813 54.000 0.101 0.000 2.679 121 D CB -0.145 40.730 40.800 0.125 0.000 1.149 121 D HN 0.109 nan 8.370 nan 0.000 0.891 122 L N 0.594 121.884 121.223 0.112 0.000 2.513 122 L HA 0.406 4.747 4.340 0.001 0.000 0.261 122 L C -0.776 176.076 176.870 -0.031 0.000 0.945 122 L CA -0.346 54.601 54.840 0.178 0.000 0.848 122 L CB 2.217 44.336 42.059 0.099 0.000 1.334 122 L HN 0.382 nan 8.230 nan 0.000 0.407 123 S N 5.047 120.784 115.700 0.063 0.000 2.548 123 S HA 0.740 5.211 4.470 0.001 0.000 0.277 123 S C -0.237 174.183 174.600 -0.300 0.000 1.315 123 S CA -0.380 57.734 58.200 -0.143 0.000 1.050 123 S CB 0.373 63.749 63.200 0.292 0.000 0.918 123 S HN 0.554 nan 8.310 nan 0.000 0.497 124 L N 0.852 121.525 121.223 -0.916 0.000 2.622 124 L HA 1.002 5.343 4.340 0.001 0.000 0.258 124 L C -0.704 175.489 176.870 -1.128 0.000 0.996 124 L CA -0.992 53.365 54.840 -0.805 0.000 0.858 124 L CB 1.234 43.080 42.059 -0.356 0.000 1.449 124 L HN 0.831 nan 8.230 nan 0.000 0.411 125 A N 0.418 122.953 122.820 -0.475 0.000 2.435 125 A HA 0.430 4.750 4.320 0.001 0.000 0.465 125 A C -0.331 177.378 177.584 0.209 0.000 0.754 125 A CA -0.245 51.727 52.037 -0.108 0.000 0.431 125 A CB -1.646 17.291 19.000 -0.105 0.000 2.477 125 A HN 1.912 nan 8.150 nan 0.000 0.592 126 G N -0.086 108.837 108.800 0.205 0.000 2.333 126 G HA2 0.558 4.519 3.960 0.001 0.000 0.290 126 G HA3 0.558 4.519 3.960 0.001 0.000 0.290 126 G C -0.069 174.932 174.900 0.168 0.000 1.150 126 G CA 0.269 45.469 45.100 0.168 0.000 0.895 126 G HN 0.894 nan 8.290 nan 0.000 0.444 127 R N 2.815 123.379 120.500 0.106 0.000 2.295 127 R HA 0.428 4.768 4.340 0.001 0.000 0.324 127 R C -0.883 175.401 176.300 -0.028 0.000 0.968 127 R CA -0.575 55.529 56.100 0.008 0.000 0.837 127 R CB 1.414 31.671 30.300 -0.071 0.000 1.133 127 R HN 0.279 nan 8.270 nan 0.000 0.450 128 V N 5.468 125.344 119.914 -0.063 0.000 2.389 128 V HA 0.115 4.236 4.120 0.001 0.000 0.264 128 V C 0.699 176.698 176.094 -0.157 0.000 1.049 128 V CA -0.342 61.903 62.300 -0.091 0.000 0.932 128 V CB 0.806 32.570 31.823 -0.097 0.000 1.011 128 V HN 0.968 nan 8.190 nan 0.000 0.475 129 T N 1.773 116.258 114.554 -0.114 0.000 2.788 129 T HA 0.427 4.778 4.350 0.001 0.000 0.280 129 T C -0.016 174.599 174.700 -0.140 0.000 0.984 129 T CA -0.493 61.535 62.100 -0.119 0.000 0.972 129 T CB 0.405 69.271 68.868 -0.003 0.000 1.039 129 T HN 0.197 nan 8.240 nan 0.000 0.530 130 F N 1.514 121.462 119.950 -0.003 0.000 2.662 130 F HA 0.366 4.894 4.527 0.001 0.000 0.343 130 F C 1.727 177.526 175.800 -0.001 0.000 1.302 130 F CA 0.024 58.023 58.000 -0.001 0.000 1.142 130 F CB -0.648 38.352 39.000 0.001 0.000 1.524 130 F HN 0.615 nan 8.300 nan 0.000 0.668 131 R N 1.564 122.130 120.500 0.109 0.000 2.526 131 R HA 0.242 4.582 4.340 0.001 0.000 0.067 131 R C 0.049 176.366 176.300 0.028 0.000 0.504 131 R CA 0.503 56.647 56.100 0.072 0.000 0.732 131 R CB -0.482 29.857 30.300 0.065 0.000 0.925 131 R HN 0.379 nan 8.270 nan 0.000 0.574 132 A N 1.425 124.246 122.820 0.003 0.000 2.578 132 A HA -0.225 4.096 4.320 0.001 0.000 0.298 132 A C -0.759 176.813 177.584 -0.020 0.000 1.472 132 A CA 1.436 53.461 52.037 -0.019 0.000 0.734 132 A CB -1.642 17.352 19.000 -0.011 0.000 1.091 132 A HN 0.557 nan 8.150 nan 0.000 0.426 133 N N 0.247 118.931 118.700 -0.026 0.000 2.397 133 N HA 0.532 5.273 4.740 0.001 0.000 0.291 133 N C -0.209 175.287 175.510 -0.024 0.000 1.065 133 N CA 0.422 53.462 53.050 -0.017 0.000 0.884 133 N CB 1.863 40.350 38.487 0.000 0.000 1.551 133 N HN 0.838 nan 8.380 nan 0.000 0.487 134 G N 1.902 110.691 108.800 -0.018 0.000 2.356 134 G HA2 0.505 4.466 3.960 0.001 0.000 0.322 134 G HA3 0.505 4.466 3.960 0.001 0.000 0.322 134 G C -0.977 173.929 174.900 0.011 0.000 1.125 134 G CA -0.349 44.744 45.100 -0.012 0.000 0.885 134 G HN 0.621 nan 8.290 nan 0.000 0.467 135 K N 1.037 121.451 120.400 0.024 0.000 2.542 135 K HA 0.458 4.778 4.320 0.001 0.000 0.259 135 K C -1.098 175.542 176.600 0.068 0.000 0.932 135 K CA -0.793 55.519 56.287 0.042 0.000 0.820 135 K CB 1.728 34.249 32.500 0.035 0.000 1.345 135 K HN 0.454 nan 8.250 nan 0.000 0.432 136 L N 0.133 121.403 121.223 0.078 0.000 2.334 136 L HA 0.835 5.175 4.340 0.001 0.000 0.272 136 L C -0.549 176.380 176.870 0.097 0.000 1.020 136 L CA -0.454 54.448 54.840 0.104 0.000 0.812 136 L CB 1.508 43.614 42.059 0.079 0.000 1.264 136 L HN 0.623 nan 8.230 nan 0.000 0.439 137 E N 0.050 120.330 120.200 0.135 0.000 2.390 137 E HA 0.785 5.135 4.350 0.001 0.000 0.280 137 E C -1.230 175.437 176.600 0.112 0.000 0.992 137 E CA 0.088 56.556 56.400 0.113 0.000 0.790 137 E CB 2.079 31.850 29.700 0.119 0.000 1.248 137 E HN 0.997 nan 8.360 nan 0.000 0.447 138 S N 2.005 117.743 115.700 0.064 0.000 3.003 138 S HA 0.885 5.356 4.470 0.001 0.000 0.313 138 S C -0.966 173.659 174.600 0.042 0.000 1.230 138 S CA -0.504 57.717 58.200 0.035 0.000 0.977 138 S CB 0.909 64.090 63.200 -0.031 0.000 1.340 138 S HN 0.742 nan 8.310 nan 0.000 0.608 139 R N 0.015 120.530 120.500 0.025 0.000 0.970 139 R HA 0.087 4.428 4.340 0.001 0.000 0.431 139 R C -1.136 175.190 176.300 0.043 0.000 1.364 139 R CA 0.685 56.800 56.100 0.026 0.000 1.167 139 R CB -1.447 28.863 30.300 0.016 0.000 3.395 139 R HN 1.952 nan 8.270 nan 0.000 0.514 140 L N 1.765 123.010 121.223 0.037 0.000 0.604 140 L HA -0.116 4.225 4.340 0.001 0.000 0.358 140 L C -1.028 175.872 176.870 0.050 0.000 1.004 140 L CA 0.877 55.738 54.840 0.034 0.000 1.222 140 L CB -0.393 41.681 42.059 0.025 0.000 0.183 140 L HN 0.793 nan 8.230 nan 0.000 0.139 141 V N 4.754 124.689 119.914 0.035 0.000 2.470 141 V HA 0.317 4.438 4.120 0.001 0.000 0.276 141 V C 0.762 176.852 176.094 -0.007 0.000 1.040 141 V CA 1.411 63.737 62.300 0.042 0.000 1.008 141 V CB 1.111 32.952 31.823 0.031 0.000 0.990 141 V HN 0.854 nan 8.190 nan 0.000 0.477 142 D N 4.710 125.098 120.400 -0.019 0.000 2.449 142 D HA 0.280 4.921 4.640 0.001 0.000 0.255 142 D C -0.601 175.370 176.300 -0.548 0.000 1.121 142 D CA 0.203 54.012 54.000 -0.319 0.000 0.830 142 D CB 0.431 40.926 40.800 -0.510 0.000 1.280 142 D HN 0.528 nan 8.370 nan 0.000 0.522 143 F N 0.404 120.348 119.950 -0.009 0.000 2.579 143 F HA 0.673 5.200 4.527 0.001 0.000 0.324 143 F C 0.151 175.930 175.800 -0.035 0.000 1.058 143 F CA -0.915 57.073 58.000 -0.020 0.000 0.944 143 F CB 1.765 40.754 39.000 -0.018 0.000 1.245 143 F HN -0.502 nan 8.300 nan 0.000 0.477 144 R N 0.637 121.217 120.500 0.133 0.000 2.663 144 R HA 0.382 4.722 4.340 0.001 0.000 0.267 144 R C -1.717 174.572 176.300 -0.019 0.000 1.038 144 R CA -1.172 54.947 56.100 0.032 0.000 0.886 144 R CB 2.802 33.083 30.300 -0.033 0.000 1.249 144 R HN 0.597 nan 8.270 nan 0.000 0.463 145 K N 1.363 121.737 120.400 -0.044 0.000 2.464 145 K HA 0.450 4.771 4.320 0.001 0.000 0.252 145 K C -0.682 175.917 176.600 -0.002 0.000 1.000 145 K CA -0.300 55.930 56.287 -0.096 0.000 0.951 145 K CB 1.989 34.350 32.500 -0.233 0.000 1.183 145 K HN 0.597 nan 8.250 nan 0.000 0.445 146 A N 3.482 126.293 122.820 -0.015 0.000 2.304 146 A HA 0.573 4.893 4.320 0.001 0.000 0.271 146 A C -0.455 177.318 177.584 0.315 0.000 1.091 146 A CA -0.501 51.537 52.037 0.002 0.000 0.812 146 A CB 0.434 19.377 19.000 -0.095 0.000 1.056 146 A HN 0.799 nan 8.150 nan 0.000 0.489 147 I N -0.372 120.338 120.570 0.234 0.000 3.002 147 I HA 0.669 4.840 4.170 0.001 0.000 0.310 147 I C 0.380 176.554 176.117 0.094 0.000 1.087 147 I CA -0.858 60.590 61.300 0.247 0.000 1.017 147 I CB 2.027 40.127 38.000 0.168 0.000 1.226 147 I HN 0.759 nan 8.210 nan 0.000 0.443 148 A N 3.349 126.189 122.820 0.035 0.000 2.302 148 A HA 0.585 4.905 4.320 0.001 0.000 0.285 148 A C 0.179 177.758 177.584 -0.008 0.000 1.105 148 A CA 0.089 52.136 52.037 0.016 0.000 0.816 148 A CB 1.004 20.012 19.000 0.014 0.000 1.067 148 A HN 0.751 nan 8.150 nan 0.000 0.489 149 V N -0.954 118.960 119.914 -0.000 0.000 3.629 149 V HA 0.186 4.307 4.120 0.001 0.000 0.194 149 V C 1.505 177.593 176.094 -0.010 0.000 1.343 149 V CA 0.138 62.434 62.300 -0.006 0.000 1.292 149 V CB -0.937 30.894 31.823 0.012 0.000 1.287 149 V HN 0.618 nan 8.190 nan 0.000 0.554 150 I N 1.529 122.099 120.570 -0.001 0.000 2.546 150 I HA 0.043 4.214 4.170 0.001 0.000 0.255 150 I C -0.854 175.261 176.117 -0.003 0.000 1.163 150 I CA 0.775 62.074 61.300 -0.002 0.000 1.457 150 I CB -2.063 35.939 38.000 0.004 0.000 1.092 150 I HN 0.364 nan 8.210 nan 0.000 0.434 151 P HA -0.061 nan 4.420 nan 0.000 0.314 151 P C 0.079 177.373 177.300 -0.010 0.000 1.521 151 P CA 0.322 63.421 63.100 -0.001 0.000 0.754 151 P CB -0.789 30.913 31.700 0.003 0.000 1.692 152 N N -1.946 116.746 118.700 -0.013 0.000 2.615 152 N HA -0.237 4.503 4.740 0.001 0.000 0.167 152 N C -0.491 175.001 175.510 -0.029 0.000 0.858 152 N CA 0.199 53.238 53.050 -0.019 0.000 0.890 152 N CB -1.150 37.328 38.487 -0.014 0.000 0.837 152 N HN 0.040 nan 8.380 nan 0.000 0.671 153 L N 1.388 122.593 121.223 -0.030 0.000 2.584 153 L HA 0.079 4.420 4.340 0.001 0.000 0.272 153 L C 0.404 177.246 176.870 -0.046 0.000 1.195 153 L CA 0.398 55.215 54.840 -0.040 0.000 0.920 153 L CB -0.186 41.854 42.059 -0.033 0.000 1.173 153 L HN 0.377 nan 8.230 nan 0.000 0.489 167 I N 1.085 121.694 120.570 0.065 0.000 2.863 167 I HA 0.518 4.689 4.170 0.001 0.000 0.311 167 I C -0.270 175.920 176.117 0.121 0.000 1.026 167 I CA -0.860 60.487 61.300 0.079 0.000 1.077 167 I CB 1.235 39.269 38.000 0.057 0.000 1.262 167 I HN 0.340 nan 8.210 nan 0.000 0.461 168 N N 3.051 121.848 118.700 0.161 0.000 2.454 168 N HA -0.098 4.643 4.740 0.001 0.000 0.280 168 N C -1.038 174.562 175.510 0.150 0.000 1.515 168 N CA 0.621 53.808 53.050 0.228 0.000 0.892 168 N CB -0.633 38.031 38.487 0.296 0.000 0.892 168 N HN 0.881 nan 8.380 nan 0.000 0.475 169 A N 2.168 125.069 122.820 0.135 0.000 2.684 169 A HA 0.543 4.863 4.320 0.001 0.000 0.289 169 A C 0.879 178.510 177.584 0.077 0.000 1.139 169 A CA 0.588 52.678 52.037 0.088 0.000 0.793 169 A CB 1.083 20.125 19.000 0.070 0.000 1.334 169 A HN 0.748 nan 8.150 nan 0.000 0.408 170 Q N 2.062 121.897 119.800 0.059 0.000 1.868 170 Q HA -0.333 4.007 4.340 0.001 0.000 0.209 170 Q C 0.498 176.522 176.000 0.040 0.000 2.846 170 Q CA 2.527 58.353 55.803 0.038 0.000 0.366 170 Q CB -1.068 27.688 28.738 0.031 0.000 0.587 170 Q HN 1.004 nan 8.270 nan 0.000 0.453 171 N N 1.640 120.372 118.700 0.054 0.000 3.059 171 N HA -0.016 4.725 4.740 0.001 0.000 0.321 171 N C -0.103 175.463 175.510 0.093 0.000 1.224 171 N CA 1.302 54.387 53.050 0.059 0.000 1.197 171 N CB 0.651 39.174 38.487 0.060 0.000 1.453 171 N HN 0.525 nan 8.380 nan 0.000 0.544 172 E N -0.701 119.544 120.200 0.075 0.000 2.537 172 E HA 0.130 4.481 4.350 0.001 0.000 0.191 172 E C 1.149 177.614 176.600 -0.225 0.000 0.987 172 E CA -0.099 56.381 56.400 0.134 0.000 1.607 172 E CB 0.124 30.071 29.700 0.412 0.000 2.499 172 E HN 0.189 nan 8.360 nan 0.000 1.073 173 L N 1.416 122.506 121.223 -0.222 0.000 2.307 173 L HA 0.153 4.494 4.340 0.001 0.000 0.211 173 L C -1.822 174.887 176.870 -0.268 0.000 1.099 173 L CA -0.129 54.482 54.840 -0.380 0.000 0.816 173 L CB -0.631 41.290 42.059 -0.230 0.000 0.952 173 L HN -0.103 nan 8.230 nan 0.000 0.455 174 P HA 0.066 nan 4.420 nan 0.000 0.262 174 P C -2.371 174.884 177.300 -0.075 0.000 1.199 174 P CA -0.603 62.448 63.100 -0.083 0.000 0.763 174 P CB 0.159 31.844 31.700 -0.026 0.000 0.790 175 P HA 0.268 nan 4.420 nan 0.000 0.276 175 P C -0.299 177.054 177.300 0.088 0.000 1.261 175 P CA -0.421 62.686 63.100 0.011 0.000 0.800 175 P CB 0.717 32.456 31.700 0.065 0.000 1.066 176 I N 2.100 122.710 120.570 0.067 0.000 2.336 176 I HA 0.267 4.438 4.170 0.001 0.000 0.292 176 I C 0.635 176.773 176.117 0.035 0.000 0.991 176 I CA -0.473 60.853 61.300 0.044 0.000 1.227 176 I CB 0.783 38.744 38.000 -0.064 0.000 1.366 176 I HN 0.342 nan 8.210 nan 0.000 0.466 177 I N 7.130 127.706 120.570 0.010 0.000 3.196 177 I HA 0.414 4.584 4.170 0.001 0.000 0.248 177 I C 0.690 176.719 176.117 -0.146 0.000 1.105 177 I CA 0.235 61.412 61.300 -0.205 0.000 1.482 177 I CB 0.559 38.435 38.000 -0.207 0.000 1.400 177 I HN 0.626 nan 8.210 nan 0.000 0.464 178 A N 0.607 123.405 122.820 -0.036 0.000 2.313 178 A HA 0.631 4.952 4.320 0.001 0.000 0.323 178 A C -0.736 176.892 177.584 0.072 0.000 1.133 178 A CA -0.351 51.683 52.037 -0.004 0.000 0.847 178 A CB 1.413 20.414 19.000 0.001 0.000 1.308 178 A HN 0.363 nan 8.150 nan 0.000 0.475 179 Q N 0.867 120.712 119.800 0.076 0.000 3.550 179 Q HA 0.566 4.906 4.340 0.001 0.000 0.206 179 Q C -2.046 173.998 176.000 0.074 0.000 0.891 179 Q CA 0.106 55.996 55.803 0.144 0.000 0.737 179 Q CB 0.634 29.490 28.738 0.197 0.000 1.417 179 Q HN 0.776 nan 8.270 nan 0.000 0.460 180 L N 0.351 121.595 121.223 0.035 0.000 3.055 180 L HA 0.831 5.171 4.340 0.001 0.000 0.260 180 L C -1.865 175.000 176.870 -0.009 0.000 0.986 180 L CA -0.540 54.303 54.840 0.004 0.000 1.009 180 L CB 1.872 43.937 42.059 0.008 0.000 1.508 180 L HN 0.479 nan 8.230 nan 0.000 0.407 181 A N 0.636 123.446 122.820 -0.018 0.000 2.610 181 A HA 0.884 5.205 4.320 0.001 0.000 0.291 181 A C -2.580 174.995 177.584 -0.015 0.000 1.086 181 A CA -0.614 51.413 52.037 -0.018 0.000 0.677 181 A CB 1.285 20.265 19.000 -0.033 0.000 1.278 181 A HN 0.547 nan 8.150 nan 0.000 0.414 182 P HA 0.330 nan 4.420 nan 0.000 0.264 182 P C 0.696 177.998 177.300 0.002 0.000 1.259 182 P CA 1.123 64.219 63.100 -0.006 0.000 0.841 182 P CB 1.033 32.728 31.700 -0.007 0.000 1.232 183 G N -0.375 108.425 108.800 0.001 0.000 2.507 183 G HA2 -0.120 3.840 3.960 0.001 0.000 0.205 183 G HA3 -0.120 3.840 3.960 0.001 0.000 0.205 183 G C -0.048 174.853 174.900 0.002 0.000 0.996 183 G CA -0.280 44.823 45.100 0.005 0.000 0.776 183 G HN 0.428 nan 8.290 nan 0.000 0.532 204 A N 3.467 126.297 122.820 0.016 0.000 1.873 204 A HA 0.381 4.701 4.320 0.001 0.000 0.215 204 A C 0.878 178.469 177.584 0.012 0.000 1.186 204 A CA 1.501 53.545 52.037 0.013 0.000 0.616 204 A CB -0.807 18.200 19.000 0.011 0.000 0.823 204 A HN 1.380 nan 8.150 nan 0.000 0.442 205 D N -1.942 118.467 120.400 0.014 0.000 10.050 205 D HA -0.118 4.522 4.640 0.001 0.000 0.307 205 D C -0.487 175.815 176.300 0.004 0.000 2.837 205 D CA 0.671 54.679 54.000 0.013 0.000 2.563 205 D CB -0.570 40.241 40.800 0.018 0.000 1.087 205 D HN 0.418 nan 8.370 nan 0.000 0.825 206 V N 5.663 125.579 119.914 0.003 0.000 2.529 206 V HA 0.036 4.157 4.120 0.001 0.000 0.292 206 V C 2.207 178.287 176.094 -0.023 0.000 1.028 206 V CA 0.028 62.325 62.300 -0.005 0.000 1.074 206 V CB 0.888 32.716 31.823 0.007 0.000 0.958 206 V HN 0.653 nan 8.190 nan 0.000 0.481 207 V N 4.577 124.473 119.914 -0.030 0.000 2.408 207 V HA -0.399 3.721 4.120 0.001 0.000 0.231 207 V C 1.623 177.684 176.094 -0.054 0.000 1.017 207 V CA 3.427 65.701 62.300 -0.043 0.000 1.102 207 V CB -1.156 30.632 31.823 -0.059 0.000 0.904 207 V HN 1.023 nan 8.190 nan 0.000 0.489 208 L N -6.081 115.087 121.223 -0.091 0.000 1.315 208 L HA 0.400 4.740 4.340 0.001 0.000 0.105 208 L C 0.400 177.160 176.870 -0.184 0.000 1.415 208 L CA 0.694 55.469 54.840 -0.108 0.000 1.170 208 L CB -0.417 41.593 42.059 -0.081 0.000 2.420 208 L HN 0.321 nan 8.230 nan 0.000 0.465 209 D N 0.458 120.671 120.400 -0.312 0.000 3.229 209 D HA -0.265 4.376 4.640 0.001 0.000 0.214 209 D C -0.971 174.966 176.300 -0.604 0.000 1.556 209 D CA 2.653 56.275 54.000 -0.631 0.000 1.086 209 D CB -0.890 39.687 40.800 -0.371 0.000 0.676 209 D HN 0.537 nan 8.370 nan 0.000 0.791 210 Y N -0.023 120.296 120.300 0.032 0.000 2.686 210 Y HA 0.591 5.142 4.550 0.001 0.000 0.331 210 Y C -0.027 175.879 175.900 0.010 0.000 0.996 210 Y CA -0.469 57.643 58.100 0.019 0.000 1.293 210 Y CB 1.450 39.932 38.460 0.038 0.000 1.092 210 Y HN 0.239 nan 8.280 nan 0.000 0.524 211 E N 2.409 122.629 120.200 0.034 0.000 3.554 211 E HA 0.314 4.664 4.350 0.001 0.000 0.286 211 E C -1.499 175.032 176.600 -0.115 0.000 1.173 211 E CA -0.028 56.331 56.400 -0.068 0.000 1.117 211 E CB -0.096 29.523 29.700 -0.134 0.000 1.323 211 E HN 0.620 nan 8.360 nan 0.000 0.394 212 L N 1.477 122.659 121.223 -0.070 0.000 2.919 212 L HA 0.253 4.594 4.340 0.001 0.000 0.242 212 L C 1.047 177.892 176.870 -0.042 0.000 1.366 212 L CA 0.435 55.212 54.840 -0.105 0.000 1.212 212 L CB -1.089 40.949 42.059 -0.035 0.000 1.604 212 L HN 0.449 nan 8.230 nan 0.000 0.433 213 S N 0.015 115.688 115.700 -0.044 0.000 4.159 213 S HA -0.402 4.069 4.470 0.001 0.000 0.538 213 S C 0.623 175.368 174.600 0.242 0.000 1.816 213 S CA 2.049 60.293 58.200 0.074 0.000 4.197 213 S CB -0.945 62.338 63.200 0.138 0.000 0.648 213 S HN 0.549 nan 8.310 nan 0.000 0.454 214 F N -0.744 119.234 119.950 0.048 0.000 1.375 214 F HA 0.196 4.724 4.527 0.001 0.000 0.305 214 F C -0.938 174.898 175.800 0.060 0.000 1.114 214 F CA -0.397 57.614 58.000 0.018 0.000 2.493 214 F CB -0.925 38.069 39.000 -0.009 0.000 3.286 214 F HN 0.451 nan 8.300 nan 0.000 0.397 215 Y N 1.856 122.084 120.300 -0.121 0.000 2.387 215 Y HA 0.600 5.151 4.550 0.001 0.000 0.336 215 Y C 0.355 176.130 175.900 -0.209 0.000 1.067 215 Y CA -0.268 57.761 58.100 -0.119 0.000 1.114 215 Y CB 1.192 39.609 38.460 -0.073 0.000 1.208 215 Y HN 0.283 nan 8.280 nan 0.000 0.458 216 D N 0.082 120.250 120.400 -0.387 0.000 2.650 216 D HA 0.619 5.260 4.640 0.001 0.000 0.255 216 D C -1.209 174.862 176.300 -0.382 0.000 1.135 216 D CA -0.567 53.225 54.000 -0.346 0.000 1.099 216 D CB 1.569 42.178 40.800 -0.318 0.000 1.273 216 D HN 0.343 nan 8.370 nan 0.000 0.628 217 T N 0.602 114.973 114.554 -0.305 0.000 2.991 217 T HA 0.475 4.826 4.350 0.001 0.000 0.303 217 T C -1.355 173.233 174.700 -0.187 0.000 1.015 217 T CA -0.885 61.032 62.100 -0.305 0.000 1.007 217 T CB 1.504 70.150 68.868 -0.369 0.000 1.034 217 T HN 0.329 nan 8.240 nan 0.000 0.446 218 Q N 1.788 121.502 119.800 -0.144 0.000 2.397 218 Q HA 0.563 4.904 4.340 0.001 0.000 0.275 218 Q C -0.957 175.022 176.000 -0.035 0.000 1.090 218 Q CA -0.711 55.043 55.803 -0.083 0.000 0.809 218 Q CB 2.268 30.954 28.738 -0.087 0.000 1.362 218 Q HN 0.536 nan 8.270 nan 0.000 0.431 219 S N 1.185 116.879 115.700 -0.010 0.000 2.531 219 S HA 0.475 4.945 4.470 0.001 0.000 0.279 219 S C 0.749 175.358 174.600 0.014 0.000 1.305 219 S CA 0.465 58.676 58.200 0.019 0.000 1.058 219 S CB 0.422 63.644 63.200 0.037 0.000 0.899 219 S HN 0.729 nan 8.310 nan 0.000 0.493 220 A N 5.785 128.622 122.820 0.027 0.000 1.824 220 A HA 0.461 4.781 4.320 0.001 0.000 0.215 220 A C 1.448 179.046 177.584 0.023 0.000 1.244 220 A CA 0.755 52.805 52.037 0.022 0.000 0.604 220 A CB -1.635 17.383 19.000 0.030 0.000 0.900 220 A HN 1.960 nan 8.150 nan 0.000 0.455 221 A N -0.131 122.708 122.820 0.031 0.000 1.773 221 A HA 0.092 4.412 4.320 0.001 0.000 0.341 221 A C 0.565 178.167 177.584 0.030 0.000 0.848 221 A CA 0.701 52.757 52.037 0.032 0.000 1.539 221 A CB -1.730 17.294 19.000 0.040 0.000 0.635 221 A HN 1.485 nan 8.150 nan 0.000 0.205 222 V N 4.615 124.547 119.914 0.029 0.000 2.928 222 V HA 0.072 4.192 4.120 0.001 0.000 0.307 222 V C 1.179 177.299 176.094 0.043 0.000 1.105 222 V CA 0.537 62.858 62.300 0.034 0.000 1.223 222 V CB 0.694 32.535 31.823 0.030 0.000 0.930 222 V HN 0.873 nan 8.190 nan 0.000 0.499 223 V N 6.379 126.330 119.914 0.061 0.000 2.752 223 V HA 0.339 4.460 4.120 0.001 0.000 0.306 223 V C 0.912 177.044 176.094 0.063 0.000 1.099 223 V CA 1.141 63.486 62.300 0.075 0.000 1.240 223 V CB 0.079 31.992 31.823 0.151 0.000 0.887 223 V HN 1.182 nan 8.190 nan 0.000 0.499 224 G N 3.914 112.747 108.800 0.055 0.000 2.667 224 G HA2 0.619 4.579 3.960 0.001 0.000 0.298 224 G HA3 0.619 4.579 3.960 0.001 0.000 0.298 224 G C -1.166 173.763 174.900 0.047 0.000 1.377 224 G CA -1.069 44.058 45.100 0.046 0.000 0.964 224 G HN 0.634 nan 8.290 nan 0.000 0.493 225 L N 1.984 123.233 121.223 0.043 0.000 2.416 225 L HA 0.258 4.599 4.340 0.001 0.000 0.272 225 L C 0.234 177.129 176.870 0.040 0.000 1.161 225 L CA -0.516 54.351 54.840 0.045 0.000 0.845 225 L CB 0.462 42.548 42.059 0.044 0.000 1.119 225 L HN 0.450 nan 8.230 nan 0.000 0.464 226 N N 1.443 120.170 118.700 0.044 0.000 2.906 226 N HA 0.483 5.224 4.740 0.001 0.000 0.327 226 N C -0.963 174.563 175.510 0.027 0.000 1.344 226 N CA -0.764 52.305 53.050 0.032 0.000 0.823 226 N CB 0.714 39.223 38.487 0.036 0.000 1.351 226 N HN 0.521 nan 8.380 nan 0.000 0.604 227 D N -0.291 120.112 120.400 0.004 0.000 10.852 227 D HA -0.160 4.481 4.640 0.001 0.000 0.361 227 D C 0.509 176.747 176.300 -0.102 0.000 3.101 227 D CA 0.584 54.567 54.000 -0.029 0.000 2.575 227 D CB 0.097 40.910 40.800 0.023 0.000 1.168 227 D HN 0.710 nan 8.370 nan 0.000 0.953 228 E N -0.998 119.048 120.200 -0.257 0.000 2.072 228 E HA -0.110 4.240 4.350 0.001 0.000 0.191 228 E C 1.099 177.413 176.600 -0.477 0.000 0.985 228 E CA 1.352 57.468 56.400 -0.473 0.000 0.801 228 E CB 0.135 29.358 29.700 -0.796 0.000 0.750 228 E HN 0.402 nan 8.360 nan 0.000 0.452 229 F N -0.453 119.517 119.950 0.033 0.000 2.480 229 F HA 0.204 4.732 4.527 0.001 0.000 0.212 229 F C 1.009 176.834 175.800 0.042 0.000 1.113 229 F CA -0.711 57.311 58.000 0.037 0.000 0.970 229 F CB 0.067 39.092 39.000 0.041 0.000 1.177 229 F HN -0.090 nan 8.300 nan 0.000 0.663 230 I N -1.466 119.290 120.570 0.310 0.000 2.944 230 I HA 0.507 4.677 4.170 0.001 0.000 0.330 230 I C -0.154 176.077 176.117 0.191 0.000 1.482 230 I CA -0.484 60.927 61.300 0.185 0.000 0.880 230 I CB 0.451 38.536 38.000 0.143 0.000 1.728 230 I HN 0.192 nan 8.210 nan 0.000 0.561 231 A N 1.216 124.154 122.820 0.198 0.000 3.012 231 A HA 0.876 5.197 4.320 0.001 0.000 0.295 231 A C 0.783 178.443 177.584 0.128 0.000 1.338 231 A CA 0.190 52.335 52.037 0.180 0.000 0.981 231 A CB -0.838 18.288 19.000 0.209 0.000 1.091 231 A HN 0.997 nan 8.150 nan 0.000 0.602 232 G N -2.001 106.867 108.800 0.114 0.000 2.321 232 G HA2 0.608 4.569 3.960 0.001 0.000 0.339 232 G HA3 0.608 4.569 3.960 0.001 0.000 0.339 232 G C -0.626 174.321 174.900 0.078 0.000 1.518 232 G CA -0.075 45.081 45.100 0.093 0.000 0.994 232 G HN 1.650 nan 8.290 nan 0.000 0.668 233 A N 0.190 123.056 122.820 0.076 0.000 5.650 233 A HA 1.034 5.355 4.320 0.001 0.000 0.194 233 A C -0.258 177.368 177.584 0.071 0.000 0.895 233 A CA 0.626 52.704 52.037 0.068 0.000 0.804 233 A CB 0.290 19.331 19.000 0.067 0.000 2.103 233 A HN 2.273 nan 8.150 nan 0.000 1.022 234 R N -1.813 118.730 120.500 0.072 0.000 0.959 234 R HA -0.104 4.236 4.340 0.001 0.000 0.432 234 R C -0.413 175.904 176.300 0.028 0.000 1.366 234 R CA 0.844 56.982 56.100 0.064 0.000 1.194 234 R CB -1.551 28.794 30.300 0.074 0.000 3.435 234 R HN 1.348 nan 8.270 nan 0.000 0.516 235 L N 0.344 121.548 121.223 -0.031 0.000 3.087 235 L HA 0.202 4.543 4.340 0.001 0.000 0.169 235 L C 1.694 178.508 176.870 -0.092 0.000 1.276 235 L CA 0.356 55.170 54.840 -0.044 0.000 0.865 235 L CB -0.162 41.874 42.059 -0.038 0.000 1.368 235 L HN 0.676 nan 8.230 nan 0.000 0.548 236 D N 0.520 120.785 120.400 -0.226 0.000 2.129 236 D HA -0.165 4.476 4.640 0.001 0.000 0.220 236 D C 0.319 176.504 176.300 -0.192 0.000 0.988 236 D CA 1.316 55.190 54.000 -0.211 0.000 0.904 236 D CB -0.179 40.467 40.800 -0.257 0.000 1.018 236 D HN 0.598 nan 8.370 nan 0.000 0.444 237 N N -0.066 118.426 118.700 -0.346 0.000 2.693 237 N HA -0.234 4.506 4.740 0.001 0.000 0.250 237 N C -0.620 174.921 175.510 0.053 0.000 1.033 237 N CA 0.295 53.315 53.050 -0.050 0.000 0.747 237 N CB -2.117 36.396 38.487 0.043 0.000 0.964 237 N HN 0.238 nan 8.380 nan 0.000 0.540 238 L N 0.118 121.345 121.223 0.006 0.000 2.387 238 L HA 0.279 4.619 4.340 0.001 0.000 0.267 238 L C 0.708 177.520 176.870 -0.097 0.000 1.197 238 L CA -0.660 54.180 54.840 -0.001 0.000 1.070 238 L CB -0.024 42.040 42.059 0.009 0.000 1.349 238 L HN 0.316 nan 8.230 nan 0.000 0.422 239 L N 0.154 121.294 121.223 -0.139 0.000 4.988 239 L HA -0.303 4.037 4.340 0.001 0.000 0.439 239 L C 1.083 177.913 176.870 -0.066 0.000 1.080 239 L CA 1.163 55.837 54.840 -0.278 0.000 1.018 239 L CB -1.417 40.186 42.059 -0.760 0.000 1.945 239 L HN 0.653 nan 8.230 nan 0.000 0.782 240 S N -1.574 114.155 115.700 0.050 0.000 2.593 240 S HA 0.379 4.850 4.470 0.001 0.000 0.269 240 S C 1.532 176.359 174.600 0.378 0.000 1.334 240 S CA 0.175 58.510 58.200 0.225 0.000 1.015 240 S CB 1.053 64.379 63.200 0.210 0.000 0.912 240 S HN 1.400 nan 8.310 nan 0.000 0.541 241 C N 3.107 122.675 119.300 0.445 0.000 5.885 241 C HA -0.255 4.206 4.460 0.001 0.000 0.328 241 C C 1.466 176.438 174.990 -0.030 0.000 2.429 241 C CA 1.871 60.994 59.018 0.175 0.000 2.193 241 C CB -2.880 25.007 27.740 0.245 0.000 3.232 241 C HN 1.076 nan 8.230 nan 0.000 0.264 242 H N 1.984 121.062 119.070 0.014 0.000 2.457 242 H HA 0.378 4.934 4.556 0.001 0.000 0.294 242 H C 2.160 177.455 175.328 -0.055 0.000 1.064 242 H CA 2.110 58.133 56.048 -0.041 0.000 1.330 242 H CB -0.140 29.582 29.762 -0.065 0.000 1.395 242 H HN 0.963 nan 8.280 nan 0.000 0.541 243 A N -0.166 122.706 122.820 0.087 0.000 2.579 243 A HA 0.440 4.760 4.320 0.001 0.000 0.273 243 A C 1.657 179.220 177.584 -0.034 0.000 1.363 243 A CA 0.624 52.689 52.037 0.046 0.000 0.953 243 A CB -0.428 18.622 19.000 0.083 0.000 1.034 243 A HN 0.513 nan 8.150 nan 0.000 0.536 244 G N -1.265 107.406 108.800 -0.215 0.000 2.472 244 G HA2 0.133 4.093 3.960 0.001 0.000 0.212 244 G HA3 0.133 4.093 3.960 0.001 0.000 0.212 244 G C 1.072 175.712 174.900 -0.434 0.000 1.484 244 G CA 0.221 44.945 45.100 -0.627 0.000 0.542 244 G HN 0.239 nan 8.290 nan 0.000 1.118 245 L N 0.909 121.953 121.223 -0.298 0.000 2.141 245 L HA 0.135 4.475 4.340 0.001 0.000 0.209 245 L C 2.524 179.328 176.870 -0.111 0.000 1.094 245 L CA 1.364 56.077 54.840 -0.211 0.000 0.763 245 L CB -0.069 41.864 42.059 -0.210 0.000 0.908 245 L HN 0.310 nan 8.230 nan 0.000 0.437 246 E N 0.371 120.526 120.200 -0.074 0.000 2.150 246 E HA -0.198 4.153 4.350 0.001 0.000 0.193 246 E C 2.201 178.835 176.600 0.056 0.000 0.985 246 E CA 0.970 57.389 56.400 0.030 0.000 0.814 246 E CB 0.093 29.822 29.700 0.047 0.000 0.752 246 E HN 0.470 nan 8.360 nan 0.000 0.466 247 A N 0.624 123.416 122.820 -0.047 0.000 1.968 247 A HA -0.030 4.291 4.320 0.001 0.000 0.217 247 A C 1.903 179.442 177.584 -0.076 0.000 1.169 247 A CA 0.521 52.519 52.037 -0.067 0.000 0.638 247 A CB -0.263 18.653 19.000 -0.140 0.000 0.812 247 A HN 0.259 nan 8.150 nan 0.000 0.446 248 L N -0.456 120.699 121.223 -0.114 0.000 2.693 248 L HA 0.056 4.396 4.340 0.001 0.000 0.242 248 L C 1.330 178.193 176.870 -0.011 0.000 1.157 248 L CA -0.120 54.665 54.840 -0.092 0.000 0.929 248 L CB 0.121 42.090 42.059 -0.151 0.000 1.103 248 L HN 0.258 nan 8.230 nan 0.000 0.430 249 L N -1.432 119.827 121.223 0.061 0.000 2.730 249 L HA 0.152 4.493 4.340 0.001 0.000 0.236 249 L C 1.876 178.872 176.870 0.210 0.000 1.061 249 L CA 0.744 55.697 54.840 0.188 0.000 0.898 249 L CB -0.454 41.779 42.059 0.289 0.000 1.270 249 L HN 0.093 nan 8.230 nan 0.000 0.500 250 N N 0.373 119.133 118.700 0.099 0.000 2.453 250 N HA -0.027 4.713 4.740 0.001 0.000 0.183 250 N C 1.385 176.834 175.510 -0.102 0.000 1.041 250 N CA 1.136 54.111 53.050 -0.124 0.000 0.900 250 N CB 0.355 38.788 38.487 -0.090 0.000 0.961 250 N HN 0.311 nan 8.380 nan 0.000 0.443 251 A N -0.924 121.873 122.820 -0.038 0.000 2.343 251 A HA 0.236 4.557 4.320 0.001 0.000 0.223 251 A C 1.609 179.185 177.584 -0.013 0.000 1.214 251 A CA 0.025 52.041 52.037 -0.034 0.000 0.900 251 A CB 0.305 19.287 19.000 -0.030 0.000 0.942 251 A HN 0.098 nan 8.150 nan 0.000 0.507 252 E N 0.138 120.346 120.200 0.013 0.000 2.372 252 E HA 0.099 4.449 4.350 0.001 0.000 0.201 252 E C 1.179 177.808 176.600 0.048 0.000 0.938 252 E CA 0.484 56.903 56.400 0.031 0.000 0.944 252 E CB -0.039 29.687 29.700 0.042 0.000 0.937 252 E HN 0.441 nan 8.360 nan 0.000 0.495 253 G N 2.044 110.891 108.800 0.078 0.000 2.491 253 G HA2 0.011 3.972 3.960 0.001 0.000 0.238 253 G HA3 0.011 3.972 3.960 0.001 0.000 0.238 253 G C -0.158 174.762 174.900 0.033 0.000 1.277 253 G CA -0.330 44.834 45.100 0.106 0.000 0.851 253 G HN -0.113 nan 8.290 nan 0.000 0.573 254 D N 1.057 121.481 120.400 0.040 0.000 2.417 254 D HA 0.118 4.759 4.640 0.001 0.000 0.250 254 D C 0.324 176.617 176.300 -0.011 0.000 1.166 254 D CA 0.498 54.505 54.000 0.011 0.000 0.881 254 D CB 1.114 41.923 40.800 0.015 0.000 1.164 254 D HN 0.283 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 0.079 4.429 4.350 0.001 0.000 0.272 255 E C 0.994 177.574 176.600 -0.033 0.000 1.099 255 E CA 0.010 56.386 56.400 -0.040 0.000 0.907 255 E CB 0.372 30.047 29.700 -0.041 0.000 1.022 255 E HN 0.420 nan 8.360 nan 0.000 0.428 256 N N 1.538 120.214 118.700 -0.040 0.000 2.228 256 N HA -0.030 4.711 4.740 0.001 0.000 0.299 256 N C -0.123 175.359 175.510 -0.047 0.000 0.829 256 N CA 0.364 53.393 53.050 -0.036 0.000 0.772 256 N CB -0.169 38.304 38.487 -0.024 0.000 2.041 256 N HN 0.450 nan 8.380 nan 0.000 1.019 257 C N 1.189 120.455 119.300 -0.057 0.000 2.822 257 C HA 0.847 5.308 4.460 0.001 0.000 0.341 257 C C 0.555 175.494 174.990 -0.085 0.000 1.301 257 C CA -1.519 57.455 59.018 -0.073 0.000 1.706 257 C CB 0.971 28.668 27.740 -0.072 0.000 2.178 257 C HN 0.359 nan 8.230 nan 0.000 0.481 258 I N 1.129 121.633 120.570 -0.109 0.000 2.471 258 I HA 0.535 4.705 4.170 0.001 0.000 0.286 258 I C -0.701 175.428 176.117 0.020 0.000 1.079 258 I CA 0.016 61.266 61.300 -0.083 0.000 1.398 258 I CB -0.709 37.139 38.000 -0.254 0.000 1.403 258 I HN 0.670 nan 8.210 nan 0.000 0.530 259 L N 6.613 127.864 121.223 0.047 0.000 2.386 259 L HA 0.686 5.026 4.340 0.001 0.000 0.271 259 L C -0.594 176.357 176.870 0.135 0.000 0.993 259 L CA -0.939 53.930 54.840 0.048 0.000 0.819 259 L CB 2.230 44.087 42.059 -0.335 0.000 1.294 259 L HN 0.333 nan 8.230 nan 0.000 0.414 260 V N 1.558 121.618 119.914 0.243 0.000 2.444 260 V HA 0.280 4.400 4.120 0.001 0.000 0.294 260 V C -0.631 175.597 176.094 0.225 0.000 1.022 260 V CA -0.562 61.863 62.300 0.209 0.000 0.850 260 V CB 2.030 33.948 31.823 0.159 0.000 0.992 260 V HN 0.932 nan 8.190 nan 0.000 0.426 261 C N 4.791 124.196 119.300 0.176 0.000 2.258 261 C HA 0.623 5.084 4.460 0.001 0.000 0.321 261 C C 0.667 175.737 174.990 0.134 0.000 1.168 261 C CA -0.206 58.912 59.018 0.168 0.000 1.531 261 C CB -0.283 27.540 27.740 0.139 0.000 2.095 261 C HN 0.965 nan 8.230 nan 0.000 0.449 262 T N 5.381 120.014 114.554 0.132 0.000 2.929 262 T HA 0.363 4.714 4.350 0.001 0.000 0.331 262 T C -0.425 174.272 174.700 -0.005 0.000 1.120 262 T CA -0.203 61.986 62.100 0.148 0.000 0.973 262 T CB -0.337 68.711 68.868 0.301 0.000 1.036 262 T HN 0.797 nan 8.240 nan 0.000 0.502 263 D N 4.104 124.481 120.400 -0.039 0.000 2.181 263 D HA 0.512 5.153 4.640 0.001 0.000 0.248 263 D C 0.138 176.366 176.300 -0.121 0.000 1.020 263 D CA -0.006 53.884 54.000 -0.183 0.000 0.891 263 D CB 1.557 42.338 40.800 -0.032 0.000 1.187 263 D HN 0.857 nan 8.370 nan 0.000 0.443 264 H N -1.622 117.543 119.070 0.157 0.000 3.110 264 H HA 0.628 5.185 4.556 0.001 0.000 0.277 264 H C -0.997 174.427 175.328 0.159 0.000 1.571 264 H CA -0.991 55.136 56.048 0.131 0.000 1.206 264 H CB 1.394 31.219 29.762 0.106 0.000 1.852 264 H HN 0.282 nan 8.280 nan 0.000 0.629 265 E N -0.961 119.445 120.200 0.343 0.000 2.392 265 E HA 0.410 4.761 4.350 0.001 0.000 0.269 265 E C -0.770 175.932 176.600 0.171 0.000 0.924 265 E CA -0.570 55.984 56.400 0.257 0.000 0.784 265 E CB 1.465 31.289 29.700 0.206 0.000 1.292 265 E HN 0.782 nan 8.360 nan 0.000 0.447 266 E N -0.193 120.094 120.200 0.146 0.000 4.289 266 E HA -0.195 4.156 4.350 0.001 0.000 0.375 266 E C 0.816 177.364 176.600 -0.087 0.000 0.624 266 E CA 0.896 57.340 56.400 0.074 0.000 1.443 266 E CB -1.323 28.437 29.700 0.100 0.000 1.807 266 E HN 0.320 nan 8.360 nan 0.000 0.378 267 V N -0.091 119.709 119.914 -0.189 0.000 2.332 267 V HA -0.223 3.898 4.120 0.001 0.000 0.248 267 V C 2.137 178.010 176.094 -0.368 0.000 1.055 267 V CA 2.347 64.451 62.300 -0.327 0.000 1.038 267 V CB -0.492 31.046 31.823 -0.475 0.000 0.651 267 V HN 0.495 nan 8.190 nan 0.000 0.450 268 G N -1.845 106.679 108.800 -0.459 0.000 3.094 268 G HA2 0.039 3.999 3.960 0.001 0.000 0.208 268 G HA3 0.039 3.999 3.960 0.001 0.000 0.208 268 G C 1.291 175.992 174.900 -0.332 0.000 1.189 268 G CA 1.042 45.929 45.100 -0.356 0.000 0.856 268 G HN 0.488 nan 8.290 nan 0.000 0.510 269 S N -2.519 113.026 115.700 -0.259 0.000 3.792 269 S HA 0.073 4.544 4.470 0.001 0.000 0.229 269 S C 1.199 175.720 174.600 -0.132 0.000 1.118 269 S CA 1.049 59.125 58.200 -0.208 0.000 0.877 269 S CB 0.221 63.313 63.200 -0.180 0.000 1.077 269 S HN 0.334 nan 8.310 nan 0.000 0.546 270 C N -0.579 118.646 119.300 -0.125 0.000 4.914 270 C HA 0.511 4.972 4.460 0.001 0.000 0.505 270 C C 1.272 176.138 174.990 -0.208 0.000 1.350 270 C CA 1.012 59.922 59.018 -0.180 0.000 2.421 270 C CB -0.236 27.375 27.740 -0.214 0.000 3.334 270 C HN 0.708 nan 8.230 nan 0.000 0.512 271 S N -0.578 115.045 115.700 -0.128 0.000 1.352 271 S HA -0.253 4.218 4.470 0.001 0.000 0.248 271 S C 0.653 175.239 174.600 -0.023 0.000 0.649 271 S CA 1.676 59.813 58.200 -0.105 0.000 1.126 271 S CB -1.513 61.610 63.200 -0.129 0.000 1.240 271 S HN 0.871 nan 8.310 nan 0.000 0.498 272 H N -0.156 118.895 119.070 -0.033 0.000 1.452 272 H HA -0.357 4.200 4.556 0.001 0.000 0.090 272 H C 1.118 176.419 175.328 -0.046 0.000 0.966 272 H CA 1.753 57.787 56.048 -0.024 0.000 1.901 272 H CB -0.757 29.001 29.762 -0.006 0.000 2.257 272 H HN 0.748 nan 8.280 nan 0.000 0.961 273 C N 1.480 120.857 119.300 0.129 0.000 2.520 273 C HA 0.373 4.834 4.460 0.001 0.000 0.369 273 C C 1.529 176.504 174.990 -0.025 0.000 1.244 273 C CA 1.105 60.129 59.018 0.010 0.000 1.677 273 C CB -1.296 26.435 27.740 -0.014 0.000 2.324 273 C HN 0.815 nan 8.230 nan 0.000 0.557 274 G N 4.112 112.847 108.800 -0.109 0.000 2.697 274 G HA2 -0.123 3.838 3.960 0.001 0.000 0.200 274 G HA3 -0.123 3.838 3.960 0.001 0.000 0.200 274 G C 0.886 175.617 174.900 -0.282 0.000 1.106 274 G CA 0.159 45.175 45.100 -0.140 0.000 0.748 274 G HN 1.345 nan 8.290 nan 0.000 0.503 275 A N -0.363 122.293 122.820 -0.274 0.000 2.252 275 A HA 0.569 4.890 4.320 0.001 0.000 0.213 275 A C 0.659 178.163 177.584 -0.133 0.000 1.188 275 A CA 1.691 53.403 52.037 -0.542 0.000 0.863 275 A CB 0.257 18.926 19.000 -0.552 0.000 0.893 275 A HN 0.593 nan 8.150 nan 0.000 0.495 276 D N -0.679 119.695 120.400 -0.044 0.000 2.517 276 D HA 0.444 5.084 4.640 0.001 0.000 0.263 276 D C -0.019 176.345 176.300 0.106 0.000 1.233 276 D CA 0.854 54.940 54.000 0.144 0.000 0.849 276 D CB 0.017 40.845 40.800 0.047 0.000 1.261 276 D HN 0.780 nan 8.370 nan 0.000 0.516 277 G N 3.023 111.901 108.800 0.130 0.000 2.850 277 G HA2 -0.085 3.875 3.960 0.001 0.000 0.686 277 G HA3 -0.085 3.875 3.960 0.001 0.000 0.686 277 G C -2.835 172.024 174.900 -0.068 0.000 1.164 277 G CA -0.890 44.257 45.100 0.077 0.000 0.826 277 G HN 0.353 nan 8.290 nan 0.000 0.586 278 P HA 0.541 nan 4.420 nan 0.000 0.297 278 P C 0.397 177.655 177.300 -0.068 0.000 1.342 278 P CA -0.793 62.299 63.100 -0.013 0.000 0.801 278 P CB 0.580 32.270 31.700 -0.017 0.000 0.920 279 F N 1.295 121.270 119.950 0.042 0.000 2.558 279 F HA 0.024 4.552 4.527 0.001 0.000 0.298 279 F C 1.104 176.938 175.800 0.058 0.000 1.119 279 F CA 0.351 58.386 58.000 0.059 0.000 1.451 279 F CB -0.332 38.715 39.000 0.078 0.000 1.091 279 F HN 0.147 nan 8.300 nan 0.000 0.563 280 L N 0.479 121.816 121.223 0.189 0.000 2.483 280 L HA -0.010 4.331 4.340 0.001 0.000 0.276 280 L C 1.286 178.130 176.870 -0.043 0.000 1.213 280 L CA 0.449 55.292 54.840 0.005 0.000 0.843 280 L CB -0.044 41.935 42.059 -0.133 0.000 1.107 280 L HN 0.250 nan 8.230 nan 0.000 0.487 281 E N -0.508 119.634 120.200 -0.097 0.000 4.976 281 E HA -0.396 3.955 4.350 0.001 0.000 0.222 281 E C 1.485 178.078 176.600 -0.011 0.000 0.944 281 E CA 1.871 58.235 56.400 -0.061 0.000 1.778 281 E CB -0.685 28.972 29.700 -0.072 0.000 1.790 281 E HN 0.845 nan 8.360 nan 0.000 0.404 282 Q N 0.221 120.027 119.800 0.010 0.000 2.167 282 Q HA -0.066 4.274 4.340 0.001 0.000 0.202 282 Q C 2.168 178.201 176.000 0.055 0.000 0.970 282 Q CA 1.873 57.693 55.803 0.029 0.000 0.855 282 Q CB 0.253 29.008 28.738 0.029 0.000 0.911 282 Q HN 0.278 nan 8.270 nan 0.000 0.438 283 V N -0.206 119.743 119.914 0.057 0.000 2.521 283 V HA -0.007 4.113 4.120 0.001 0.000 0.239 283 V C 0.739 176.850 176.094 0.028 0.000 1.053 283 V CA 0.394 62.684 62.300 -0.017 0.000 1.073 283 V CB 0.150 31.895 31.823 -0.129 0.000 0.746 283 V HN 0.256 nan 8.190 nan 0.000 0.476 284 L N 2.136 123.422 121.223 0.104 0.000 2.352 284 L HA 0.400 4.741 4.340 0.001 0.000 0.272 284 L C 0.837 177.755 176.870 0.081 0.000 1.109 284 L CA 0.710 55.661 54.840 0.185 0.000 0.952 284 L CB 0.080 42.319 42.059 0.300 0.000 1.314 284 L HN 0.215 nan 8.230 nan 0.000 0.427 285 R N 1.980 122.536 120.500 0.095 0.000 2.508 285 R HA 0.254 4.594 4.340 0.001 0.000 0.300 285 R C -0.390 175.939 176.300 0.048 0.000 0.970 285 R CA -0.231 55.893 56.100 0.039 0.000 1.102 285 R CB 0.546 30.856 30.300 0.016 0.000 1.246 285 R HN 0.387 nan 8.270 nan 0.000 0.539 286 R N 0.231 120.788 120.500 0.095 0.000 2.534 286 R HA 0.411 4.752 4.340 0.001 0.000 0.301 286 R C -0.825 175.525 176.300 0.082 0.000 0.961 286 R CA -0.674 55.478 56.100 0.086 0.000 0.871 286 R CB 1.369 31.739 30.300 0.118 0.000 1.170 286 R HN 0.020 nan 8.270 nan 0.000 0.446 287 L N 4.234 125.489 121.223 0.052 0.000 3.092 287 L HA -0.238 4.102 4.340 0.001 0.000 0.617 287 L C -0.731 176.168 176.870 0.048 0.000 1.006 287 L CA 0.124 54.991 54.840 0.045 0.000 1.302 287 L CB -0.560 41.526 42.059 0.046 0.000 1.573 287 L HN 0.700 nan 8.230 nan 0.000 0.771 288 L N 2.571 123.813 121.223 0.032 0.000 0.735 288 L HA -0.122 4.218 4.340 0.001 0.000 0.364 288 L C -1.122 175.760 176.870 0.021 0.000 1.004 288 L CA 0.439 55.296 54.840 0.027 0.000 1.222 288 L CB -0.136 41.945 42.059 0.037 0.000 0.325 288 L HN 0.500 nan 8.230 nan 0.000 0.197 289 P HA -0.087 nan 4.420 nan 0.000 0.200 289 P C 0.338 177.612 177.300 -0.043 0.000 1.007 289 P CA 1.363 64.449 63.100 -0.023 0.000 0.916 289 P CB 0.308 31.992 31.700 -0.025 0.000 0.696 290 E N -1.699 118.477 120.200 -0.041 0.000 3.254 290 E HA 0.238 4.588 4.350 0.001 0.000 0.184 290 E C 1.161 177.764 176.600 0.004 0.000 0.967 290 E CA 0.029 56.394 56.400 -0.059 0.000 1.311 290 E CB 0.444 30.069 29.700 -0.125 0.000 1.071 290 E HN 0.291 nan 8.360 nan 0.000 0.456 291 G N 0.726 109.541 108.800 0.026 0.000 2.557 291 G HA2 -0.076 3.884 3.960 0.001 0.000 0.213 291 G HA3 -0.076 3.884 3.960 0.001 0.000 0.213 291 G C 0.957 175.895 174.900 0.063 0.000 1.221 291 G CA 0.402 45.525 45.100 0.038 0.000 0.832 291 G HN 0.022 nan 8.290 nan 0.000 0.556 292 D N 0.002 120.444 120.400 0.069 0.000 2.500 292 D HA 0.327 4.967 4.640 0.001 0.000 0.217 292 D C 2.176 178.544 176.300 0.114 0.000 1.159 292 D CA 0.409 54.458 54.000 0.082 0.000 0.828 292 D CB 0.979 41.813 40.800 0.057 0.000 1.039 292 D HN 0.243 nan 8.370 nan 0.000 0.512 293 A N 0.559 123.460 122.820 0.135 0.000 1.873 293 A HA -0.058 4.263 4.320 0.001 0.000 0.215 293 A C 1.118 178.902 177.584 0.333 0.000 1.186 293 A CA 0.864 53.014 52.037 0.188 0.000 0.616 293 A CB -0.224 18.866 19.000 0.150 0.000 0.823 293 A HN 0.044 nan 8.150 nan 0.000 0.442 294 F N -0.754 119.237 119.950 0.068 0.000 2.123 294 F HA 0.405 4.932 4.527 0.001 0.000 0.257 294 F C 2.093 177.927 175.800 0.055 0.000 0.967 294 F CA -0.433 57.608 58.000 0.068 0.000 1.152 294 F CB -0.077 38.953 39.000 0.050 0.000 1.869 294 F HN 0.330 nan 8.300 nan 0.000 0.562 295 S N -0.016 115.760 115.700 0.127 0.000 4.067 295 S HA -0.406 4.065 4.470 0.001 0.000 0.505 295 S C 1.879 176.485 174.600 0.009 0.000 1.684 295 S CA 2.065 60.291 58.200 0.044 0.000 4.003 295 S CB -1.059 62.190 63.200 0.081 0.000 1.163 295 S HN 0.628 nan 8.310 nan 0.000 0.458 296 R N 1.469 121.994 120.500 0.042 0.000 2.091 296 R HA -0.009 4.331 4.340 0.001 0.000 0.238 296 R C 2.610 178.920 176.300 0.018 0.000 1.136 296 R CA 1.611 57.728 56.100 0.028 0.000 0.959 296 R CB -0.463 29.860 30.300 0.040 0.000 0.856 296 R HN 0.596 nan 8.270 nan 0.000 0.437 297 A N 1.455 124.298 122.820 0.039 0.000 1.874 297 A HA -0.071 4.250 4.320 0.001 0.000 0.214 297 A C 2.194 179.793 177.584 0.025 0.000 1.189 297 A CA 1.096 53.164 52.037 0.053 0.000 0.615 297 A CB -0.463 18.624 19.000 0.145 0.000 0.830 297 A HN 0.413 nan 8.150 nan 0.000 0.443 298 I N -3.491 117.025 120.570 -0.090 0.000 2.676 298 I HA -0.141 4.029 4.170 0.001 0.000 0.259 298 I C 1.847 177.895 176.117 -0.115 0.000 1.194 298 I CA 1.269 62.457 61.300 -0.188 0.000 1.473 298 I CB -0.356 37.330 38.000 -0.525 0.000 1.096 298 I HN 0.094 nan 8.210 nan 0.000 0.443 299 Q N 0.914 120.666 119.800 -0.081 0.000 2.389 299 Q HA 0.059 4.399 4.340 0.001 0.000 0.204 299 Q C 1.871 177.843 176.000 -0.046 0.000 0.944 299 Q CA 0.622 56.390 55.803 -0.059 0.000 0.908 299 Q CB -0.113 28.600 28.738 -0.042 0.000 1.002 299 Q HN 0.471 nan 8.270 nan 0.000 0.493 300 R N 0.280 120.762 120.500 -0.031 0.000 2.317 300 R HA 0.208 4.548 4.340 0.001 0.000 0.208 300 R C 0.023 176.315 176.300 -0.014 0.000 0.914 300 R CA 0.055 56.139 56.100 -0.026 0.000 1.060 300 R CB 0.448 30.738 30.300 -0.018 0.000 1.015 300 R HN 0.028 nan 8.270 nan 0.000 0.498 301 S N -0.124 115.577 115.700 0.002 0.000 2.745 301 S HA 0.535 5.006 4.470 0.001 0.000 0.292 301 S C -0.486 174.133 174.600 0.031 0.000 1.133 301 S CA -0.531 57.702 58.200 0.056 0.000 0.998 301 S CB 1.939 65.203 63.200 0.106 0.000 1.087 301 S HN 0.197 nan 8.310 nan 0.000 0.551 302 L N 2.102 123.390 121.223 0.108 0.000 2.611 302 L HA 0.467 4.807 4.340 0.001 0.000 0.263 302 L C -1.618 175.357 176.870 0.175 0.000 0.969 302 L CA -0.576 54.335 54.840 0.118 0.000 0.894 302 L CB 1.298 43.468 42.059 0.185 0.000 1.229 302 L HN 0.527 nan 8.230 nan 0.000 0.416 303 L N 5.608 126.848 121.223 0.027 0.000 2.350 303 L HA 0.712 5.053 4.340 0.001 0.000 0.275 303 L C -1.004 175.777 176.870 -0.148 0.000 1.099 303 L CA 0.102 54.927 54.840 -0.026 0.000 0.808 303 L CB 1.690 43.697 42.059 -0.088 0.000 1.149 303 L HN 0.331 nan 8.230 nan 0.000 0.442 304 V N 3.384 123.175 119.914 -0.206 0.000 2.709 304 V HA 0.599 4.720 4.120 0.001 0.000 0.308 304 V C -0.494 175.449 176.094 -0.251 0.000 1.062 304 V CA -0.562 61.509 62.300 -0.382 0.000 0.901 304 V CB 2.049 33.434 31.823 -0.731 0.000 1.003 304 V HN 0.922 nan 8.190 nan 0.000 0.425 305 S N 2.665 118.215 115.700 -0.250 0.000 2.451 305 S HA 0.813 5.284 4.470 0.001 0.000 0.301 305 S C -0.090 174.405 174.600 -0.175 0.000 1.116 305 S CA -0.457 57.643 58.200 -0.168 0.000 1.093 305 S CB 1.827 64.940 63.200 -0.144 0.000 1.017 305 S HN 1.208 nan 8.310 nan 0.000 0.482 306 A N 2.501 125.256 122.820 -0.110 0.000 2.690 306 A HA 0.540 4.860 4.320 0.001 0.000 0.342 306 A C -0.065 177.371 177.584 -0.248 0.000 1.410 306 A CA -0.580 51.433 52.037 -0.040 0.000 0.958 306 A CB -0.276 18.814 19.000 0.150 0.000 1.153 306 A HN 0.851 nan 8.150 nan 0.000 0.497 307 D N 1.033 121.256 120.400 -0.295 0.000 2.481 307 D HA 0.380 5.020 4.640 0.001 0.000 0.283 307 D C -0.384 175.618 176.300 -0.496 0.000 1.192 307 D CA -0.142 53.628 54.000 -0.384 0.000 1.100 307 D CB 0.585 41.223 40.800 -0.269 0.000 1.166 307 D HN 0.379 nan 8.370 nan 0.000 0.584 308 N N -0.637 117.864 118.700 -0.331 0.000 2.549 308 N HA 0.587 5.327 4.740 0.001 0.000 0.281 308 N C -1.400 173.925 175.510 -0.309 0.000 1.084 308 N CA -0.491 52.408 53.050 -0.253 0.000 0.862 308 N CB 1.942 40.314 38.487 -0.191 0.000 1.333 308 N HN 0.416 nan 8.380 nan 0.000 0.523 309 A N 1.269 123.943 122.820 -0.243 0.000 2.304 309 A HA 0.323 4.644 4.320 0.001 0.000 0.271 309 A C 0.511 177.888 177.584 -0.345 0.000 1.091 309 A CA -0.148 51.708 52.037 -0.302 0.000 0.812 309 A CB 0.389 19.302 19.000 -0.145 0.000 1.056 309 A HN 0.733 nan 8.150 nan 0.000 0.489 310 H N 1.319 120.278 119.070 -0.186 0.000 2.273 310 H HA 0.290 4.847 4.556 0.002 0.000 0.311 310 H C 1.365 176.640 175.328 -0.089 0.000 1.057 310 H CA 1.191 57.005 56.048 -0.390 0.000 1.360 310 H CB -0.521 28.782 29.762 -0.765 0.000 1.414 310 H HN 1.350 nan 8.280 nan 0.000 0.516 311 G N 0.712 109.612 108.800 0.166 0.000 2.767 311 G HA2 -0.179 3.781 3.960 0.001 0.000 0.686 311 G HA3 -0.179 3.781 3.960 0.001 0.000 0.686 311 G C 0.006 175.233 174.900 0.545 0.000 1.213 311 G CA -0.136 45.073 45.100 0.180 0.000 0.803 311 G HN 0.558 nan 8.290 nan 0.000 0.603 312 V N 0.657 120.895 119.914 0.540 0.000 2.644 312 V HA 0.182 4.302 4.120 0.001 0.000 0.303 312 V C 1.105 177.502 176.094 0.505 0.000 1.058 312 V CA 0.142 62.810 62.300 0.612 0.000 1.228 312 V CB 0.612 32.652 31.823 0.363 0.000 0.861 312 V HN 1.015 nan 8.190 nan 0.000 0.484 313 H N 8.824 128.148 119.070 0.423 0.000 2.646 313 H HA 0.287 4.844 4.556 0.002 0.000 0.325 313 H C -1.541 173.854 175.328 0.111 0.000 1.075 313 H CA -1.864 54.308 56.048 0.207 0.000 1.421 313 H CB 2.185 31.937 29.762 -0.017 0.000 1.461 313 H HN 0.534 nan 8.280 nan 0.000 0.525 314 P HA -0.111 nan 4.420 nan 0.000 0.225 314 P C 0.492 177.850 177.300 0.097 0.000 1.148 314 P CA 1.071 64.239 63.100 0.113 0.000 0.779 314 P CB 0.718 32.442 31.700 0.041 0.000 0.780 315 N N -1.483 117.321 118.700 0.173 0.000 2.454 315 N HA 0.001 4.742 4.740 0.001 0.000 0.177 315 N C 0.115 175.364 175.510 -0.436 0.000 1.049 315 N CA 0.445 53.363 53.050 -0.220 0.000 0.887 315 N CB 0.082 38.297 38.487 -0.454 0.000 1.095 315 N HN 0.242 nan 8.380 nan 0.000 0.446 316 Y N 1.041 121.276 120.300 -0.108 0.000 2.793 316 Y HA 0.459 5.009 4.550 -0.000 0.000 0.374 316 Y C 1.215 177.120 175.900 0.008 0.000 1.135 316 Y CA -0.696 57.316 58.100 -0.146 0.000 1.451 316 Y CB 0.302 38.544 38.460 -0.364 0.000 1.541 316 Y HN 0.011 nan 8.280 nan 0.000 0.546 317 A N 0.247 123.141 122.820 0.123 0.000 2.015 317 A HA -0.142 4.179 4.320 0.001 0.000 0.219 317 A C 1.548 179.203 177.584 0.118 0.000 1.163 317 A CA 1.457 53.573 52.037 0.132 0.000 0.646 317 A CB -0.239 18.807 19.000 0.075 0.000 0.806 317 A HN 0.612 nan 8.150 nan 0.000 0.448 318 D N -1.443 119.009 120.400 0.088 0.000 2.676 318 D HA 0.056 4.697 4.640 0.001 0.000 0.239 318 D C 0.636 176.969 176.300 0.055 0.000 1.213 318 D CA -0.148 53.892 54.000 0.068 0.000 0.835 318 D CB -0.013 40.814 40.800 0.045 0.000 1.009 318 D HN 0.206 nan 8.370 nan 0.000 0.479 319 R N -0.357 120.171 120.500 0.047 0.000 2.509 319 R HA 0.224 4.565 4.340 0.001 0.000 0.297 319 R C -0.051 176.151 176.300 -0.163 0.000 0.951 319 R CA -0.098 55.962 56.100 -0.066 0.000 1.103 319 R CB 0.448 30.683 30.300 -0.107 0.000 1.283 319 R HN 0.382 nan 8.270 nan 0.000 0.534 320 H N -0.227 118.944 119.070 0.168 0.000 2.906 320 H HA 0.335 4.892 4.556 0.002 0.000 0.337 320 H C -0.853 174.564 175.328 0.148 0.000 1.257 320 H CA -0.967 55.195 56.048 0.190 0.000 1.192 320 H CB 2.000 31.902 29.762 0.234 0.000 1.912 320 H HN -0.035 nan 8.280 nan 0.000 0.573 321 D N 0.177 120.773 120.400 0.328 0.000 2.927 321 D HA 0.386 5.027 4.640 0.001 0.000 0.219 321 D C 0.488 176.842 176.300 0.089 0.000 1.248 321 D CA -0.046 54.049 54.000 0.158 0.000 0.861 321 D CB 1.960 42.833 40.800 0.120 0.000 1.677 321 D HN 0.840 nan 8.370 nan 0.000 0.511 322 A N 3.455 126.287 122.820 0.019 0.000 4.404 322 A HA -0.396 3.925 4.320 0.001 0.000 0.367 322 A C 0.377 178.005 177.584 0.074 0.000 1.591 322 A CA 2.238 54.271 52.037 -0.007 0.000 0.807 322 A CB -2.633 16.334 19.000 -0.055 0.000 1.524 322 A HN 1.008 nan 8.150 nan 0.000 0.540 323 N N 2.380 121.111 118.700 0.051 0.000 2.431 323 N HA 0.475 5.216 4.740 0.001 0.000 0.265 323 N C -0.122 175.536 175.510 0.246 0.000 1.184 323 N CA 0.905 54.040 53.050 0.142 0.000 0.943 323 N CB 0.211 38.706 38.487 0.013 0.000 1.080 323 N HN 1.070 nan 8.380 nan 0.000 0.477 324 H N -0.492 118.579 119.070 0.002 0.000 4.265 324 H HA 0.820 5.377 4.556 0.001 0.000 0.401 324 H C -0.179 175.104 175.328 -0.074 0.000 1.309 324 H CA -1.372 54.622 56.048 -0.090 0.000 0.947 324 H CB 0.683 30.426 29.762 -0.031 0.000 0.953 324 H HN 0.595 nan 8.280 nan 0.000 0.744 325 G N 1.345 109.972 108.800 -0.288 0.000 3.100 325 G HA2 0.153 4.113 3.960 0.001 0.000 0.233 325 G HA3 0.153 4.113 3.960 0.001 0.000 0.233 325 G C -3.362 171.495 174.900 -0.072 0.000 3.794 325 G CA -0.545 44.410 45.100 -0.242 0.000 0.453 325 G HN 0.452 nan 8.290 nan 0.000 0.329 326 P HA 0.443 nan 4.420 nan 0.000 0.272 326 P C 0.784 178.113 177.300 0.049 0.000 1.230 326 P CA 0.105 63.246 63.100 0.068 0.000 0.788 326 P CB 1.046 32.799 31.700 0.087 0.000 0.949 327 A N 1.924 124.794 122.820 0.083 0.000 2.475 327 A HA 0.234 4.554 4.320 0.001 0.000 0.239 327 A C 0.535 178.166 177.584 0.079 0.000 1.087 327 A CA 0.060 52.150 52.037 0.088 0.000 0.779 327 A CB -1.052 18.008 19.000 0.101 0.000 1.036 327 A HN 0.571 nan 8.150 nan 0.000 0.506 328 L N -0.393 120.899 121.223 0.115 0.000 3.754 328 L HA -0.164 4.177 4.340 0.001 0.000 0.410 328 L C -0.296 176.661 176.870 0.145 0.000 1.230 328 L CA 0.900 55.825 54.840 0.141 0.000 0.901 328 L CB -2.272 39.813 42.059 0.044 0.000 1.982 328 L HN 0.829 nan 8.230 nan 0.000 0.822 329 N N -1.029 117.761 118.700 0.151 0.000 2.455 329 N HA 0.720 5.460 4.740 0.001 0.000 0.278 329 N C 0.394 175.933 175.510 0.048 0.000 1.291 329 N CA 0.005 53.062 53.050 0.011 0.000 0.780 329 N CB 1.478 39.925 38.487 -0.068 0.000 1.520 329 N HN 0.104 nan 8.380 nan 0.000 0.486 330 G N -0.958 107.715 108.800 -0.212 0.000 2.684 330 G HA2 0.349 4.309 3.960 0.001 0.000 0.255 330 G HA3 0.349 4.309 3.960 0.001 0.000 0.255 330 G C 0.344 175.253 174.900 0.014 0.000 1.219 330 G CA -0.308 44.739 45.100 -0.087 0.000 0.901 330 G HN 0.464 nan 8.290 nan 0.000 0.548 331 G N 0.431 109.274 108.800 0.071 0.000 2.298 331 G HA2 0.432 4.392 3.960 0.001 0.000 0.263 331 G HA3 0.432 4.392 3.960 0.001 0.000 0.263 331 G C -2.448 172.507 174.900 0.091 0.000 1.229 331 G CA -0.484 44.682 45.100 0.111 0.000 0.976 331 G HN 0.412 nan 8.290 nan 0.000 0.459 332 P HA 0.157 nan 4.420 nan 0.000 0.276 332 P C 0.045 177.383 177.300 0.064 0.000 1.235 332 P CA -0.488 62.632 63.100 0.034 0.000 0.772 332 P CB 1.385 33.082 31.700 -0.004 0.000 0.871 333 V N 5.751 125.720 119.914 0.091 0.000 2.381 333 V HA 0.061 4.181 4.120 0.001 0.000 0.257 333 V C 0.715 176.865 176.094 0.094 0.000 1.057 333 V CA 0.046 62.410 62.300 0.105 0.000 1.013 333 V CB -0.903 31.001 31.823 0.135 0.000 1.069 333 V HN 0.385 nan 8.190 nan 0.000 0.484 334 I N 5.595 126.206 120.570 0.068 0.000 2.379 334 I HA 0.289 4.460 4.170 0.001 0.000 0.290 334 I C 0.423 176.614 176.117 0.122 0.000 1.063 334 I CA 0.135 61.487 61.300 0.087 0.000 1.351 334 I CB 0.218 38.271 38.000 0.088 0.000 1.410 334 I HN 0.473 nan 8.210 nan 0.000 0.505 335 K N 7.958 128.405 120.400 0.079 0.000 2.507 335 K HA 0.664 4.985 4.320 0.001 0.000 0.253 335 K C -1.048 175.503 176.600 -0.082 0.000 0.969 335 K CA -0.303 56.022 56.287 0.064 0.000 0.908 335 K CB 1.674 34.265 32.500 0.152 0.000 1.127 335 K HN 0.517 nan 8.250 nan 0.000 0.437 336 I N 2.343 122.774 120.570 -0.231 0.000 2.647 336 I HA 0.248 4.418 4.170 0.001 0.000 0.295 336 I C 0.461 176.422 176.117 -0.260 0.000 1.078 336 I CA -0.601 60.465 61.300 -0.390 0.000 1.048 336 I CB 1.958 39.426 38.000 -0.886 0.000 1.239 336 I HN 0.696 nan 8.210 nan 0.000 0.421 337 N N 2.255 120.858 118.700 -0.161 0.000 2.104 337 N HA -0.038 4.703 4.740 0.001 0.000 0.227 337 N C 1.031 176.492 175.510 -0.082 0.000 1.321 337 N CA 0.162 53.155 53.050 -0.095 0.000 0.877 337 N CB 0.453 38.917 38.487 -0.038 0.000 1.117 337 N HN 0.592 nan 8.380 nan 0.000 0.486 338 S N 2.183 117.830 115.700 -0.089 0.000 2.436 338 S HA -0.072 4.399 4.470 0.001 0.000 0.208 338 S C 1.248 175.812 174.600 -0.059 0.000 1.063 338 S CA 1.007 59.173 58.200 -0.057 0.000 1.120 338 S CB -0.473 62.701 63.200 -0.043 0.000 1.053 338 S HN 0.232 nan 8.310 nan 0.000 0.407 339 N N 0.161 118.817 118.700 -0.073 0.000 2.238 339 N HA 0.339 5.079 4.740 0.001 0.000 0.235 339 N C 0.706 176.178 175.510 -0.064 0.000 1.209 339 N CA -0.007 53.010 53.050 -0.055 0.000 0.879 339 N CB 0.769 39.234 38.487 -0.037 0.000 1.136 339 N HN 0.613 nan 8.380 nan 0.000 0.517 340 Q N -0.563 119.167 119.800 -0.115 0.000 2.459 340 Q HA 0.286 4.627 4.340 0.001 0.000 0.260 340 Q C -0.426 175.518 176.000 -0.094 0.000 0.828 340 Q CA -0.335 55.405 55.803 -0.105 0.000 0.987 340 Q CB 1.065 29.676 28.738 -0.212 0.000 1.216 340 Q HN -0.014 nan 8.270 nan 0.000 0.558 341 R N 1.575 121.957 120.500 -0.197 0.000 2.709 341 R HA -0.182 4.158 4.340 0.001 0.000 0.275 341 R C -1.506 174.810 176.300 0.026 0.000 0.947 341 R CA 0.501 56.532 56.100 -0.115 0.000 0.784 341 R CB -1.494 28.781 30.300 -0.042 0.000 2.000 341 R HN 0.365 nan 8.270 nan 0.000 0.517 342 Y N 0.668 120.939 120.300 -0.048 0.000 2.286 342 Y HA 0.365 4.916 4.550 0.001 0.000 0.347 342 Y C 1.777 177.649 175.900 -0.046 0.000 1.351 342 Y CA -0.673 57.395 58.100 -0.053 0.000 1.640 342 Y CB 0.250 38.670 38.460 -0.067 0.000 1.560 342 Y HN 0.561 nan 8.280 nan 0.000 0.574 343 A N -0.115 122.785 122.820 0.134 0.000 3.656 343 A HA 0.262 4.583 4.320 0.001 0.000 0.151 343 A C 0.193 177.805 177.584 0.046 0.000 1.657 343 A CA 0.387 52.451 52.037 0.046 0.000 1.148 343 A CB -1.122 17.875 19.000 -0.005 0.000 1.569 343 A HN 0.808 nan 8.150 nan 0.000 0.709 344 T N 0.825 115.389 114.554 0.017 0.000 1.247 344 T HA -0.111 4.240 4.350 0.001 0.000 0.692 344 T C -0.237 174.483 174.700 0.035 0.000 0.971 344 T CA 0.852 62.967 62.100 0.025 0.000 3.665 344 T CB -1.829 67.065 68.868 0.044 0.000 2.085 344 T HN 1.164 nan 8.240 nan 0.000 0.386 345 N N 0.647 119.365 118.700 0.030 0.000 2.867 345 N HA 0.683 5.424 4.740 0.001 0.000 0.326 345 N C 1.403 176.942 175.510 0.049 0.000 1.355 345 N CA -0.293 52.776 53.050 0.033 0.000 0.830 345 N CB 0.102 38.600 38.487 0.018 0.000 1.152 345 N HN 0.208 nan 8.380 nan 0.000 0.569 346 S N -0.298 115.428 115.700 0.044 0.000 2.338 346 S HA -0.186 4.285 4.470 0.001 0.000 0.218 346 S C 1.138 175.784 174.600 0.076 0.000 1.032 346 S CA 1.481 59.712 58.200 0.053 0.000 0.999 346 S CB -0.848 62.376 63.200 0.040 0.000 0.905 346 S HN 0.804 nan 8.310 nan 0.000 0.439 347 E N 0.794 121.037 120.200 0.071 0.000 2.416 347 E HA 0.120 4.471 4.350 0.001 0.000 0.189 347 E C 0.624 177.300 176.600 0.126 0.000 1.091 347 E CA 0.459 56.922 56.400 0.105 0.000 0.889 347 E CB -0.241 29.494 29.700 0.059 0.000 1.015 347 E HN 0.310 nan 8.360 nan 0.000 0.479 348 T N 0.225 114.847 114.554 0.113 0.000 3.071 348 T HA 0.188 4.539 4.350 0.001 0.000 0.239 348 T C 1.901 176.711 174.700 0.183 0.000 0.997 348 T CA 0.592 62.763 62.100 0.119 0.000 1.134 348 T CB 0.178 69.072 68.868 0.042 0.000 0.928 348 T HN 0.317 nan 8.240 nan 0.000 0.453 349 A N 1.362 124.271 122.820 0.147 0.000 1.898 349 A HA 0.183 4.504 4.320 0.001 0.000 0.216 349 A C 2.439 180.130 177.584 0.178 0.000 1.181 349 A CA 1.872 54.004 52.037 0.158 0.000 0.620 349 A CB -1.217 17.852 19.000 0.114 0.000 0.819 349 A HN 0.487 nan 8.150 nan 0.000 0.442 350 G N -2.214 106.688 108.800 0.170 0.000 2.448 350 G HA2 -0.108 3.852 3.960 0.001 0.000 0.218 350 G HA3 -0.108 3.852 3.960 0.001 0.000 0.218 350 G C 1.294 176.314 174.900 0.201 0.000 1.135 350 G CA 0.848 46.039 45.100 0.152 0.000 0.784 350 G HN 0.431 nan 8.290 nan 0.000 0.543 351 F N -0.815 119.217 119.950 0.137 0.000 2.710 351 F HA 0.414 4.942 4.527 0.001 0.000 0.298 351 F C 0.567 176.512 175.800 0.242 0.000 1.137 351 F CA -0.117 57.991 58.000 0.180 0.000 1.444 351 F CB 0.373 39.473 39.000 0.166 0.000 1.111 351 F HN 0.067 nan 8.300 nan 0.000 0.580 352 F N 0.671 120.724 119.950 0.172 0.000 2.597 352 F HA 0.345 4.872 4.527 0.001 0.000 0.336 352 F C 0.906 176.724 175.800 0.030 0.000 1.432 352 F CA -0.185 57.857 58.000 0.069 0.000 1.120 352 F CB -0.209 38.803 39.000 0.021 0.000 1.253 352 F HN -0.142 nan 8.300 nan 0.000 0.546 353 R N -1.066 119.405 120.500 -0.049 0.000 3.054 353 R HA -0.020 4.320 4.340 0.001 0.000 0.112 353 R C 1.576 177.832 176.300 -0.073 0.000 0.821 353 R CA 0.208 56.270 56.100 -0.064 0.000 2.011 353 R CB -0.327 29.992 30.300 0.032 0.000 1.632 353 R HN 0.459 nan 8.270 nan 0.000 0.493 354 H N 1.259 120.251 119.070 -0.130 0.000 2.395 354 H HA 0.001 4.558 4.556 0.001 0.000 0.299 354 H C 1.669 176.884 175.328 -0.188 0.000 1.070 354 H CA 1.198 57.157 56.048 -0.147 0.000 1.356 354 H CB 0.501 30.172 29.762 -0.152 0.000 1.401 354 H HN 0.188 nan 8.280 nan 0.000 0.524 355 L N 0.865 121.894 121.223 -0.323 0.000 2.201 355 L HA -0.134 4.207 4.340 0.001 0.000 0.212 355 L C 2.639 179.287 176.870 -0.370 0.000 1.105 355 L CA 1.212 55.838 54.840 -0.356 0.000 0.775 355 L CB -1.292 40.645 42.059 -0.203 0.000 0.913 355 L HN 0.428 nan 8.230 nan 0.000 0.440 356 C N -0.309 118.740 119.300 -0.417 0.000 2.475 356 C HA -0.122 4.339 4.460 0.001 0.000 0.279 356 C C 2.811 177.653 174.990 -0.245 0.000 1.322 356 C CA 0.818 59.617 59.018 -0.366 0.000 1.734 356 C CB -0.396 27.100 27.740 -0.406 0.000 2.005 356 C HN 0.624 nan 8.230 nan 0.000 0.495 357 Q N -0.062 119.601 119.800 -0.228 0.000 2.119 357 Q HA -0.198 4.143 4.340 0.001 0.000 0.201 357 Q C 1.935 177.823 176.000 -0.186 0.000 0.972 357 Q CA 1.697 57.399 55.803 -0.169 0.000 0.847 357 Q CB -0.368 28.304 28.738 -0.110 0.000 0.903 357 Q HN 0.678 nan 8.270 nan 0.000 0.433 358 D N -0.464 119.762 120.400 -0.289 0.000 2.144 358 D HA -0.077 4.564 4.640 0.001 0.000 0.199 358 D C 0.514 176.717 176.300 -0.162 0.000 0.984 358 D CA 0.907 54.750 54.000 -0.261 0.000 0.834 358 D CB 0.209 40.775 40.800 -0.390 0.000 0.955 358 D HN 0.099 nan 8.370 nan 0.000 0.465 359 S N 0.574 116.180 115.700 -0.157 0.000 2.552 359 S HA 0.140 4.611 4.470 0.001 0.000 0.246 359 S C -0.735 173.818 174.600 -0.078 0.000 1.019 359 S CA -0.259 57.882 58.200 -0.099 0.000 1.045 359 S CB 0.474 63.621 63.200 -0.087 0.000 0.784 359 S HN 0.223 nan 8.310 nan 0.000 0.453 360 E N 0.419 120.567 120.200 -0.087 0.000 7.548 360 E HA -0.135 4.215 4.350 0.001 0.000 0.443 360 E C 0.170 176.718 176.600 -0.086 0.000 0.387 360 E CA 0.111 56.470 56.400 -0.068 0.000 0.714 360 E CB -0.636 29.046 29.700 -0.029 0.000 0.961 360 E HN 0.304 nan 8.360 nan 0.000 0.264 361 V N 0.009 119.860 119.914 -0.105 0.000 4.037 361 V HA 0.470 4.590 4.120 0.001 0.000 0.263 361 V C -1.753 174.218 176.094 -0.206 0.000 0.880 361 V CA -0.442 61.772 62.300 -0.144 0.000 0.823 361 V CB -0.419 31.329 31.823 -0.125 0.000 1.171 361 V HN 0.631 nan 8.190 nan 0.000 0.378 362 P HA 0.463 nan 4.420 nan 0.000 0.297 362 P C -0.867 176.324 177.300 -0.182 0.000 1.331 362 P CA -0.195 62.787 63.100 -0.197 0.000 0.803 362 P CB 1.401 32.989 31.700 -0.186 0.000 0.929 363 V N 4.212 124.048 119.914 -0.131 0.000 2.465 363 V HA 0.238 4.359 4.120 0.001 0.000 0.279 363 V C 0.018 176.075 176.094 -0.062 0.000 1.045 363 V CA 0.105 62.350 62.300 -0.092 0.000 0.938 363 V CB 0.970 32.738 31.823 -0.092 0.000 0.986 363 V HN 0.536 nan 8.190 nan 0.000 0.467 364 Q N 3.570 123.344 119.800 -0.043 0.000 2.823 364 Q HA 0.809 5.149 4.340 0.001 0.000 0.230 364 Q C -0.859 175.147 176.000 0.010 0.000 1.026 364 Q CA -0.632 55.145 55.803 -0.044 0.000 0.940 364 Q CB 2.124 30.805 28.738 -0.095 0.000 1.382 364 Q HN 0.929 nan 8.270 nan 0.000 0.502 365 S N -0.790 114.926 115.700 0.026 0.000 2.552 365 S HA 0.666 5.136 4.470 0.001 0.000 0.272 365 S C -1.004 173.716 174.600 0.199 0.000 1.150 365 S CA -0.789 57.475 58.200 0.106 0.000 0.849 365 S CB 1.115 64.382 63.200 0.113 0.000 1.113 365 S HN 0.693 nan 8.310 nan 0.000 0.458 366 F N -0.307 119.645 119.950 0.003 0.000 2.183 366 F HA -0.139 4.388 4.527 0.000 0.000 0.318 366 F C 0.448 176.245 175.800 -0.004 0.000 1.277 366 F CA 0.790 58.798 58.000 0.014 0.000 0.914 366 F CB -0.410 38.602 39.000 0.021 0.000 4.133 366 F HN 0.836 nan 8.300 nan 0.000 0.140 367 V N 1.407 121.168 119.914 -0.254 0.000 3.406 367 V HA 0.186 4.307 4.120 0.001 0.000 0.266 367 V C 0.136 176.310 176.094 0.133 0.000 1.697 367 V CA 1.299 63.586 62.300 -0.022 0.000 1.046 367 V CB 0.913 32.738 31.823 0.002 0.000 0.879 367 V HN 0.992 nan 8.190 nan 0.000 0.399 368 T N 0.060 114.467 114.554 -0.245 0.000 2.804 368 T HA 0.649 4.999 4.350 0.001 0.000 0.272 368 T C -0.440 174.363 174.700 0.173 0.000 0.986 368 T CA -0.479 61.567 62.100 -0.090 0.000 0.999 368 T CB 1.669 70.371 68.868 -0.276 0.000 1.307 368 T HN 0.339 nan 8.240 nan 0.000 0.586 369 R N -0.198 120.384 120.500 0.137 0.000 2.837 369 R HA 0.496 4.837 4.340 0.001 0.000 0.271 369 R C 1.216 177.602 176.300 0.144 0.000 0.993 369 R CA -0.721 55.499 56.100 0.201 0.000 0.931 369 R CB 1.582 31.955 30.300 0.122 0.000 1.206 369 R HN 0.576 nan 8.270 nan 0.000 0.474 370 S N 0.431 116.218 115.700 0.145 0.000 2.382 370 S HA -0.180 4.290 4.470 0.001 0.000 0.228 370 S C 1.140 175.770 174.600 0.050 0.000 1.027 370 S CA 1.891 60.149 58.200 0.096 0.000 0.991 370 S CB -0.112 63.134 63.200 0.077 0.000 0.823 370 S HN 0.676 nan 8.310 nan 0.000 0.469 371 D N -0.186 120.240 120.400 0.043 0.000 2.201 371 D HA 0.140 4.781 4.640 0.001 0.000 0.209 371 D C 1.079 177.386 176.300 0.011 0.000 0.961 371 D CA 0.510 54.523 54.000 0.022 0.000 0.861 371 D CB 0.099 40.910 40.800 0.020 0.000 0.997 371 D HN 0.235 nan 8.370 nan 0.000 0.486 372 M N -0.562 119.047 119.600 0.015 0.000 2.066 372 M HA 0.404 4.885 4.480 0.001 0.000 0.203 372 M C -0.114 176.179 176.300 -0.012 0.000 1.145 372 M CA 0.633 55.932 55.300 -0.003 0.000 1.084 372 M CB 0.858 33.453 32.600 -0.007 0.000 1.177 372 M HN 0.200 nan 8.290 nan 0.000 0.588 373 G N 0.629 109.415 108.800 -0.024 0.000 3.190 373 G HA2 -0.051 3.909 3.960 0.001 0.000 0.686 373 G HA3 -0.051 3.909 3.960 0.001 0.000 0.686 373 G C -1.051 173.834 174.900 -0.026 0.000 1.033 373 G CA -0.534 44.548 45.100 -0.030 0.000 0.797 373 G HN 1.290 nan 8.290 nan 0.000 0.567 374 C N 2.403 121.697 119.300 -0.009 0.000 2.609 374 C HA 1.026 5.486 4.460 0.001 0.000 0.313 374 C C 1.774 176.780 174.990 0.026 0.000 1.175 374 C CA 0.463 59.478 59.018 -0.005 0.000 1.434 374 C CB 1.261 28.989 27.740 -0.020 0.000 2.005 374 C HN 3.015 nan 8.230 nan 0.000 0.471 375 G N 2.366 111.182 108.800 0.027 0.000 2.699 375 G HA2 -0.244 3.717 3.960 0.001 0.000 0.351 375 G HA3 -0.244 3.717 3.960 0.001 0.000 0.351 375 G C 0.829 175.805 174.900 0.127 0.000 1.191 375 G CA 2.028 47.157 45.100 0.049 0.000 0.953 375 G HN 2.853 nan 8.290 nan 0.000 0.557 376 S N -0.578 115.164 115.700 0.070 0.000 3.608 376 S HA -0.142 4.329 4.470 0.001 0.000 0.382 376 S C 0.746 175.317 174.600 -0.047 0.000 0.945 376 S CA 1.748 59.961 58.200 0.021 0.000 1.256 376 S CB -1.902 61.335 63.200 0.061 0.000 0.913 376 S HN 2.512 nan 8.310 nan 0.000 0.518 377 T N 1.526 116.059 114.554 -0.035 0.000 4.099 377 T HA 0.382 4.732 4.350 0.001 0.000 0.223 377 T C 0.898 175.531 174.700 -0.111 0.000 0.968 377 T CA -0.213 61.855 62.100 -0.052 0.000 0.966 377 T CB -0.713 68.132 68.868 -0.037 0.000 1.328 377 T HN 0.775 nan 8.240 nan 0.000 0.783 378 I N -0.115 120.341 120.570 -0.189 0.000 2.578 378 I HA 0.444 4.615 4.170 0.001 0.000 0.286 378 I C 1.088 177.160 176.117 -0.074 0.000 1.126 378 I CA 0.058 61.274 61.300 -0.140 0.000 1.380 378 I CB -1.039 36.847 38.000 -0.190 0.000 1.408 378 I HN 0.609 nan 8.210 nan 0.000 0.532 379 G N 9.110 117.919 108.800 0.015 0.000 2.693 379 G HA2 -0.305 3.656 3.960 0.001 0.000 0.354 379 G HA3 -0.305 3.656 3.960 0.001 0.000 0.354 379 G C -2.135 172.765 174.900 0.000 0.000 1.207 379 G CA 0.201 45.354 45.100 0.089 0.000 0.958 379 G HN 0.664 nan 8.290 nan 0.000 0.560 380 P HA 0.359 nan 4.420 nan 0.000 0.257 380 P C 0.401 177.651 177.300 -0.084 0.000 1.189 380 P CA 1.383 64.431 63.100 -0.087 0.000 0.780 380 P CB 0.590 32.231 31.700 -0.098 0.000 0.772 381 I N 2.243 122.768 120.570 -0.074 0.000 4.882 381 I HA -0.201 3.969 4.170 0.001 0.000 0.312 381 I C 0.980 177.078 176.117 -0.032 0.000 0.566 381 I CA 1.719 62.997 61.300 -0.037 0.000 1.552 381 I CB -0.976 37.022 38.000 -0.004 0.000 3.326 381 I HN 0.202 nan 8.210 nan 0.000 1.037 382 T N 0.552 115.083 114.554 -0.038 0.000 3.051 382 T HA 0.469 4.820 4.350 0.001 0.000 0.255 382 T C 1.488 176.176 174.700 -0.021 0.000 1.085 382 T CA 0.743 62.831 62.100 -0.021 0.000 1.109 382 T CB -0.013 68.842 68.868 -0.021 0.000 0.921 382 T HN 0.466 nan 8.240 nan 0.000 0.488 383 A N 1.341 124.104 122.820 -0.095 0.000 2.218 383 A HA 0.266 4.587 4.320 0.001 0.000 0.209 383 A C 2.219 179.649 177.584 -0.257 0.000 1.168 383 A CA 0.280 52.146 52.037 -0.285 0.000 0.804 383 A CB -0.490 18.165 19.000 -0.576 0.000 0.834 383 A HN 0.361 nan 8.150 nan 0.000 0.482 384 S N -0.062 115.555 115.700 -0.139 0.000 2.555 384 S HA -0.074 4.396 4.470 0.001 0.000 0.230 384 S C 1.686 176.247 174.600 -0.064 0.000 0.978 384 S CA 0.766 58.903 58.200 -0.105 0.000 0.934 384 S CB -0.113 63.045 63.200 -0.070 0.000 0.766 384 S HN 0.586 nan 8.310 nan 0.000 0.533 385 Q N 0.844 120.623 119.800 -0.035 0.000 2.364 385 Q HA 0.040 4.381 4.340 0.001 0.000 0.207 385 Q C 1.940 177.965 176.000 0.043 0.000 0.970 385 Q CA 0.532 56.344 55.803 0.015 0.000 0.888 385 Q CB -0.560 28.206 28.738 0.046 0.000 0.951 385 Q HN 0.379 nan 8.270 nan 0.000 0.469 386 V N -1.110 118.810 119.914 0.009 0.000 2.295 386 V HA -0.085 4.036 4.120 0.001 0.000 0.246 386 V C 1.354 177.423 176.094 -0.041 0.000 1.049 386 V CA 1.703 64.031 62.300 0.046 0.000 1.024 386 V CB -0.566 31.221 31.823 -0.059 0.000 0.648 386 V HN 0.522 nan 8.190 nan 0.000 0.447 387 G N -0.574 108.170 108.800 -0.093 0.000 2.247 387 G HA2 -0.073 3.888 3.960 0.001 0.000 0.111 387 G HA3 -0.073 3.888 3.960 0.001 0.000 0.111 387 G C -0.479 174.342 174.900 -0.132 0.000 1.045 387 G CA -0.196 44.845 45.100 -0.098 0.000 0.715 387 G HN 0.434 nan 8.290 nan 0.000 0.485 388 V N 0.179 120.017 119.914 -0.128 0.000 2.735 388 V HA 0.590 4.711 4.120 0.001 0.000 0.310 388 V C 0.743 176.783 176.094 -0.089 0.000 1.061 388 V CA -1.329 60.902 62.300 -0.116 0.000 0.913 388 V CB 1.826 33.572 31.823 -0.129 0.000 1.005 388 V HN 0.412 nan 8.190 nan 0.000 0.428 389 R N 1.643 122.098 120.500 -0.075 0.000 2.489 389 R HA 0.435 4.776 4.340 0.001 0.000 0.287 389 R C -0.391 175.865 176.300 -0.074 0.000 1.053 389 R CA 0.050 56.110 56.100 -0.067 0.000 1.036 389 R CB 0.363 30.622 30.300 -0.068 0.000 0.966 389 R HN 0.720 nan 8.270 nan 0.000 0.432 390 T N 2.408 116.916 114.554 -0.077 0.000 2.792 390 T HA 0.225 4.576 4.350 0.001 0.000 0.280 390 T C -0.234 174.395 174.700 -0.119 0.000 0.990 390 T CA -0.685 61.352 62.100 -0.105 0.000 0.960 390 T CB 1.744 70.550 68.868 -0.103 0.000 0.939 390 T HN 0.183 nan 8.240 nan 0.000 0.439 391 V N 3.763 123.556 119.914 -0.201 0.000 2.353 391 V HA 0.203 4.324 4.120 0.001 0.000 0.264 391 V C 0.402 176.330 176.094 -0.276 0.000 1.049 391 V CA -0.560 61.580 62.300 -0.266 0.000 0.896 391 V CB 0.709 32.220 31.823 -0.520 0.000 1.025 391 V HN 0.831 nan 8.190 nan 0.000 0.475 392 D N 5.507 125.809 120.400 -0.163 0.000 2.468 392 D HA 0.390 5.030 4.640 0.001 0.000 0.218 392 D C -0.161 176.058 176.300 -0.135 0.000 1.155 392 D CA -0.116 53.794 54.000 -0.150 0.000 0.924 392 D CB 0.785 41.533 40.800 -0.087 0.000 1.029 392 D HN 0.540 nan 8.370 nan 0.000 0.515 393 I N -0.081 120.377 120.570 -0.187 0.000 3.540 393 I HA 0.945 5.116 4.170 0.001 0.000 0.288 393 I C 0.716 176.774 176.117 -0.098 0.000 1.169 393 I CA -0.700 60.535 61.300 -0.110 0.000 1.038 393 I CB 1.747 39.696 38.000 -0.085 0.000 1.338 393 I HN 0.217 nan 8.210 nan 0.000 0.507 394 G N 0.083 108.870 108.800 -0.022 0.000 2.474 394 G HA2 0.536 4.497 3.960 0.001 0.000 0.234 394 G HA3 0.536 4.497 3.960 0.001 0.000 0.234 394 G C -1.994 172.977 174.900 0.119 0.000 1.204 394 G CA -0.823 44.279 45.100 0.002 0.000 0.939 394 G HN 0.633 nan 8.290 nan 0.000 0.491 395 L N 0.959 122.256 121.223 0.123 0.000 2.431 395 L HA 0.433 4.774 4.340 0.001 0.000 0.266 395 L C -2.627 174.278 176.870 0.059 0.000 0.978 395 L CA -1.884 53.038 54.840 0.135 0.000 0.822 395 L CB 3.028 45.220 42.059 0.222 0.000 1.310 395 L HN 0.201 nan 8.230 nan 0.000 0.409 396 P HA 0.052 nan 4.420 nan 0.000 0.256 396 P C -1.003 176.342 177.300 0.075 0.000 1.189 396 P CA 0.550 63.674 63.100 0.040 0.000 0.808 396 P CB 0.274 32.004 31.700 0.050 0.000 0.793 397 T N 3.908 118.496 114.554 0.057 0.000 3.395 397 T HA 0.381 4.731 4.350 0.001 0.000 0.330 397 T C -0.941 173.848 174.700 0.148 0.000 1.076 397 T CA -0.201 61.965 62.100 0.112 0.000 1.070 397 T CB 0.471 69.397 68.868 0.097 0.000 1.119 397 T HN -0.037 nan 8.240 nan 0.000 0.462 398 F N 1.947 122.006 119.950 0.182 0.000 2.544 398 F HA 0.715 5.243 4.527 0.001 0.000 0.378 398 F C 0.874 176.791 175.800 0.194 0.000 1.112 398 F CA -0.456 57.693 58.000 0.249 0.000 1.115 398 F CB 0.835 39.993 39.000 0.264 0.000 1.436 398 F HN 0.815 nan 8.300 nan 0.000 0.496 399 A N 1.762 124.981 122.820 0.665 0.000 2.610 399 A HA -0.244 4.076 4.320 0.001 0.000 0.299 399 A C 0.156 177.907 177.584 0.279 0.000 1.487 399 A CA 0.774 53.024 52.037 0.356 0.000 0.743 399 A CB -2.365 16.788 19.000 0.255 0.000 1.070 399 A HN 0.645 nan 8.150 nan 0.000 0.439 400 M N -0.299 119.480 119.600 0.299 0.000 1.878 400 M HA 0.423 4.904 4.480 0.001 0.000 0.236 400 M C 1.460 177.927 176.300 0.279 0.000 1.315 400 M CA 1.144 56.600 55.300 0.260 0.000 0.986 400 M CB -0.025 32.728 32.600 0.254 0.000 1.324 400 M HN 0.588 nan 8.290 nan 0.000 0.474 401 H N -1.169 117.940 119.070 0.064 0.000 2.690 401 H HA -0.166 4.391 4.556 0.001 0.000 0.309 401 H C -0.367 174.979 175.328 0.030 0.000 1.138 401 H CA 0.431 56.499 56.048 0.033 0.000 1.142 401 H CB -1.152 28.616 29.762 0.011 0.000 1.410 401 H HN 0.541 nan 8.280 nan 0.000 0.409 402 S N -0.750 115.029 115.700 0.131 0.000 3.144 402 S HA 0.626 5.097 4.470 0.001 0.000 0.325 402 S C 0.198 174.836 174.600 0.064 0.000 1.161 402 S CA -0.482 57.775 58.200 0.096 0.000 0.920 402 S CB 1.309 64.579 63.200 0.116 0.000 1.340 402 S HN 0.262 nan 8.310 nan 0.000 0.681 403 I N 0.997 121.605 120.570 0.064 0.000 3.283 403 I HA 0.582 4.753 4.170 0.001 0.000 0.342 403 I C 0.090 176.231 176.117 0.041 0.000 1.510 403 I CA -0.186 61.137 61.300 0.038 0.000 1.006 403 I CB 0.147 38.168 38.000 0.035 0.000 1.596 403 I HN 0.433 nan 8.210 nan 0.000 0.509 404 R N 1.162 121.693 120.500 0.052 0.000 3.324 404 R HA 0.226 4.566 4.340 0.001 0.000 0.270 404 R C -1.548 174.799 176.300 0.079 0.000 0.893 404 R CA -0.854 55.277 56.100 0.053 0.000 0.794 404 R CB 0.443 30.775 30.300 0.054 0.000 1.510 404 R HN 0.191 nan 8.270 nan 0.000 0.493 405 E N 0.888 121.134 120.200 0.078 0.000 7.553 405 E HA -0.118 4.233 4.350 0.001 0.000 0.436 405 E C -1.904 174.766 176.600 0.116 0.000 0.418 405 E CA 0.887 57.344 56.400 0.095 0.000 0.779 405 E CB -0.200 29.565 29.700 0.109 0.000 0.959 405 E HN 0.862 nan 8.360 nan 0.000 0.263 406 L N 1.082 122.368 121.223 0.105 0.000 2.277 406 L HA 0.170 4.511 4.340 0.001 0.000 0.461 406 L C -0.652 176.294 176.870 0.127 0.000 1.003 406 L CA 2.653 57.564 54.840 0.118 0.000 1.248 406 L CB -0.807 41.337 42.059 0.142 0.000 1.025 406 L HN 1.777 nan 8.230 nan 0.000 0.523 407 A N 3.805 126.693 122.820 0.113 0.000 1.985 407 A HA 0.615 4.936 4.320 0.001 0.000 0.278 407 A C 0.201 177.847 177.584 0.104 0.000 0.983 407 A CA -0.283 51.822 52.037 0.113 0.000 0.910 407 A CB -0.684 18.382 19.000 0.110 0.000 0.978 407 A HN 2.034 nan 8.150 nan 0.000 0.336 408 G N 0.848 109.714 108.800 0.109 0.000 2.559 408 G HA2 0.443 4.403 3.960 0.001 0.000 0.235 408 G HA3 0.443 4.403 3.960 0.001 0.000 0.235 408 G C 0.705 175.671 174.900 0.110 0.000 1.266 408 G CA 0.637 45.807 45.100 0.117 0.000 0.847 408 G HN 1.708 nan 8.290 nan 0.000 0.583 409 S N 0.444 116.215 115.700 0.119 0.000 2.738 409 S HA 0.293 4.763 4.470 0.001 0.000 0.227 409 S C 0.558 175.199 174.600 0.069 0.000 1.311 409 S CA -0.431 57.816 58.200 0.078 0.000 1.249 409 S CB -0.404 62.839 63.200 0.071 0.000 1.030 409 S HN 0.771 nan 8.310 nan 0.000 0.512 410 H N -0.640 118.420 119.070 -0.018 0.000 3.420 410 H HA 0.178 4.734 4.556 0.001 0.000 0.226 410 H C 0.795 175.991 175.328 -0.221 0.000 0.994 410 H CA 0.251 56.243 56.048 -0.093 0.000 1.031 410 H CB 0.229 30.002 29.762 0.019 0.000 1.190 410 H HN 0.418 nan 8.280 nan 0.000 0.686 411 D N 2.054 122.526 120.400 0.120 0.000 2.178 411 D HA -0.129 4.512 4.640 0.001 0.000 0.201 411 D C 2.075 178.387 176.300 0.020 0.000 0.980 411 D CA 1.342 55.450 54.000 0.181 0.000 0.842 411 D CB 0.069 40.965 40.800 0.160 0.000 0.948 411 D HN 0.346 nan 8.370 nan 0.000 0.472 412 L N -0.409 120.777 121.223 -0.063 0.000 2.201 412 L HA 0.135 4.475 4.340 0.001 0.000 0.212 412 L C 2.111 178.895 176.870 -0.144 0.000 1.105 412 L CA 1.542 56.318 54.840 -0.106 0.000 0.775 412 L CB -1.787 40.207 42.059 -0.108 0.000 0.913 412 L HN -0.007 nan 8.230 nan 0.000 0.440 413 A N 0.085 122.754 122.820 -0.253 0.000 2.066 413 A HA -0.121 4.200 4.320 0.001 0.000 0.218 413 A C 1.872 179.316 177.584 -0.234 0.000 1.157 413 A CA 1.023 52.889 52.037 -0.285 0.000 0.670 413 A CB -0.800 17.956 19.000 -0.406 0.000 0.804 413 A HN 0.650 nan 8.150 nan 0.000 0.453 414 H N -2.053 117.023 119.070 0.010 0.000 2.520 414 H HA 0.193 4.750 4.556 0.001 0.000 0.279 414 H C 1.759 177.085 175.328 -0.003 0.000 0.990 414 H CA 0.688 56.741 56.048 0.007 0.000 1.288 414 H CB 0.168 29.943 29.762 0.021 0.000 1.446 414 H HN 0.372 nan 8.280 nan 0.000 0.538 415 L N 1.377 122.648 121.223 0.079 0.000 2.179 415 L HA -0.076 4.264 4.340 0.001 0.000 0.208 415 L C 2.184 179.060 176.870 0.010 0.000 1.096 415 L CA 0.644 55.509 54.840 0.041 0.000 0.779 415 L CB -0.113 41.934 42.059 -0.020 0.000 0.922 415 L HN 0.278 nan 8.230 nan 0.000 0.443 416 V N -2.786 117.119 119.914 -0.015 0.000 2.358 416 V HA -0.140 3.980 4.120 0.001 0.000 0.246 416 V C 1.715 177.821 176.094 0.019 0.000 1.047 416 V CA 0.959 63.253 62.300 -0.010 0.000 1.035 416 V CB -0.928 30.877 31.823 -0.031 0.000 0.658 416 V HN 0.298 nan 8.190 nan 0.000 0.452 417 K N -0.589 119.823 120.400 0.021 0.000 2.140 417 K HA 0.377 4.697 4.320 0.001 0.000 0.237 417 K C 1.025 177.640 176.600 0.026 0.000 1.045 417 K CA 0.592 56.895 56.287 0.027 0.000 0.896 417 K CB 1.262 33.778 32.500 0.026 0.000 1.122 417 K HN 0.134 nan 8.250 nan 0.000 0.503 418 V N -0.758 119.155 119.914 -0.001 0.000 0.558 418 V HA -0.448 3.672 4.120 0.001 0.000 0.092 418 V C 1.686 177.819 176.094 0.065 0.000 2.022 418 V CA 2.300 64.573 62.300 -0.046 0.000 3.478 418 V CB -1.436 30.300 31.823 -0.144 0.000 0.770 418 V HN 0.781 nan 8.190 nan 0.000 0.801 419 L N 0.480 121.764 121.223 0.103 0.000 2.141 419 L HA 0.025 4.365 4.340 0.001 0.000 0.209 419 L C 2.457 179.296 176.870 -0.052 0.000 1.094 419 L CA 1.886 56.777 54.840 0.086 0.000 0.763 419 L CB -0.653 41.401 42.059 -0.007 0.000 0.908 419 L HN 0.646 nan 8.230 nan 0.000 0.437 420 G N -0.698 108.120 108.800 0.029 0.000 2.421 420 G HA2 -0.148 3.813 3.960 0.001 0.000 0.217 420 G HA3 -0.148 3.813 3.960 0.001 0.000 0.217 420 G C 1.697 176.682 174.900 0.141 0.000 1.143 420 G CA 0.673 45.852 45.100 0.131 0.000 0.784 420 G HN 0.442 nan 8.290 nan 0.000 0.541 421 A N 0.329 123.207 122.820 0.096 0.000 2.016 421 A HA 0.223 4.543 4.320 0.001 0.000 0.217 421 A C 2.010 179.669 177.584 0.125 0.000 1.162 421 A CA 1.096 53.180 52.037 0.078 0.000 0.662 421 A CB -0.407 18.605 19.000 0.020 0.000 0.812 421 A HN 0.424 nan 8.150 nan 0.000 0.450 422 F N -0.660 119.305 119.950 0.024 0.000 2.234 422 F HA -0.097 4.431 4.527 0.001 0.000 0.299 422 F C 1.372 177.249 175.800 0.128 0.000 1.087 422 F CA 0.894 58.942 58.000 0.081 0.000 1.340 422 F CB -0.294 38.771 39.000 0.109 0.000 1.031 422 F HN 0.274 nan 8.300 nan 0.000 0.500 423 Y N 1.244 121.486 120.300 -0.097 0.000 2.621 423 Y HA 0.366 4.917 4.550 0.001 0.000 0.330 423 Y C 0.737 176.543 175.900 -0.156 0.000 1.219 423 Y CA -0.291 57.693 58.100 -0.194 0.000 1.286 423 Y CB -1.357 37.093 38.460 -0.016 0.000 1.053 423 Y HN 0.158 nan 8.280 nan 0.000 0.498 424 A N -1.153 121.666 122.820 -0.002 0.000 2.587 424 A HA 0.709 5.030 4.320 0.001 0.000 0.293 424 A C 0.200 177.782 177.584 -0.004 0.000 1.087 424 A CA -0.250 51.788 52.037 0.002 0.000 0.692 424 A CB 0.849 19.866 19.000 0.029 0.000 1.291 424 A HN 0.535 nan 8.150 nan 0.000 0.407 425 S N -0.575 115.128 115.700 0.004 0.000 3.522 425 S HA 0.151 4.622 4.470 0.001 0.000 0.829 425 S C -0.097 174.536 174.600 0.056 0.000 1.219 425 S CA 0.459 58.675 58.200 0.027 0.000 1.016 425 S CB -1.562 61.658 63.200 0.033 0.000 0.587 425 S HN 2.645 nan 8.310 nan 0.000 0.357 426 S N 0.000 115.746 115.700 0.077 0.000 2.498 426 S HA 0.000 4.471 4.470 0.001 0.000 0.327 426 S CA 0.000 58.271 58.200 0.118 0.000 1.107 426 S CB 0.000 63.235 63.200 0.058 0.000 0.593 426 S HN 0.000 nan 8.310 nan 0.000 0.517