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 3gq2_1_A DATA FIRST_RESID 17 DATA SEQUENCE HTEAETIQKL CDRVASSTLL DDRRNAVRAL KSLSKKYRLE VGIQAMEHLI DATA SEQUENCE HVLQTDRSDS EIIGYALDTL YNIISNDEEE EXXXXXXXXX XDLGSQFTEI DATA SEQUENCE FIKQQENVTL LLSLLEEFDF HVRWPGVKLL TSLLKQLGPQ VQQIILVSPM DATA SEQUENCE GVSRLMDLLA DSREVIRNDG VLLLQALTRS NGAIQKIVAF ENAFERLLDI DATA SEQUENCE ITEEGNSDGG IVVEDCLILL QNLLKNNNSN QNFFKEGSYI QRMKPWFEVG DATA SEQUENCE DENSGWSAQK VTNLHLMLQL VRVLVSPNNP PGATSSCQKA MFQCGLLQQL DATA SEQUENCE CTILMATGVP ADILTETINT VSEVIRGCQV NQDYFASVNA PSNPPRPAIV DATA SEQUENCE VLLMSMVNER QPFVLRCAVL YCFQCFLYKN QKGQGEIVST LLPSTIDATG DATA SEQUENCE NTVSAGQLLC GGLFSTDSLS NWCAAVALAH ALQENATQKE QLLRVQLATS DATA SEQUENCE IGNPPVSLLQ QCTNILSQGS KIQTRVGLLM LLCTWLSNCP IAVTHFLHNS DATA SEQUENCE ANVPFLTGQI AENLGEEEQL VQGLCALLLG ISIYFNDNSL ETYMKEKLKQ DATA SEQUENCE LIEKRIGKEN FIEKLGFISK HELYSRASQK PQPNFPSPEY MIFDHEFTKL DATA SEQUENCE VKELEGVITK AIYKSSEEDK KEEE 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 17 H HA 0.000 nan 4.556 nan 0.000 0.296 17 H C 0.000 175.301 175.328 -0.045 0.000 0.993 17 H CA 0.000 56.030 56.048 -0.030 0.000 1.023 17 H CB 0.000 29.750 29.762 -0.021 0.000 1.292 18 T N 2.407 117.042 114.554 0.135 0.000 4.219 18 T HA 0.282 4.633 4.350 0.001 0.000 0.263 18 T C 0.709 175.393 174.700 -0.027 0.000 1.217 18 T CA 1.313 63.428 62.100 0.026 0.000 1.145 18 T CB -0.169 68.692 68.868 -0.012 0.000 1.298 18 T HN 0.530 nan 8.240 nan 0.000 0.999 19 E N 0.067 120.229 120.200 -0.063 0.000 1.111 19 E HA -0.020 4.331 4.350 0.001 0.000 0.206 19 E C 1.144 177.645 176.600 -0.165 0.000 1.028 19 E CA 0.678 56.979 56.400 -0.165 0.000 0.885 19 E CB -1.019 28.601 29.700 -0.133 0.000 4.892 19 E HN 0.421 nan 8.360 nan 0.000 0.590 20 A N 0.491 123.264 122.820 -0.078 0.000 2.141 20 A HA 0.259 4.580 4.320 0.001 0.000 0.201 20 A C 1.649 179.196 177.584 -0.063 0.000 1.344 20 A CA 0.569 52.566 52.037 -0.066 0.000 0.971 20 A CB 0.100 19.075 19.000 -0.043 0.000 1.035 20 A HN 0.212 nan 8.150 nan 0.000 0.480 21 E N 0.583 120.750 120.200 -0.056 0.000 2.299 21 E HA -0.107 4.244 4.350 0.001 0.000 0.193 21 E C 1.777 178.358 176.600 -0.031 0.000 0.998 21 E CA 1.309 57.677 56.400 -0.054 0.000 0.851 21 E CB -0.001 29.671 29.700 -0.047 0.000 0.795 21 E HN 0.669 nan 8.360 nan 0.000 0.492 22 T N -1.148 113.386 114.554 -0.033 0.000 2.996 22 T HA -0.098 4.253 4.350 0.001 0.000 0.271 22 T C 1.708 176.373 174.700 -0.059 0.000 1.126 22 T CA 0.720 62.791 62.100 -0.049 0.000 1.103 22 T CB -0.201 68.623 68.868 -0.074 0.000 0.870 22 T HN 0.138 nan 8.240 nan 0.000 0.528 23 I N -0.173 120.362 120.570 -0.059 0.000 2.729 23 I HA 0.051 4.222 4.170 0.001 0.000 0.256 23 I C 2.985 179.078 176.117 -0.039 0.000 1.115 23 I CA 0.449 61.722 61.300 -0.046 0.000 1.446 23 I CB -0.258 37.720 38.000 -0.037 0.000 1.176 23 I HN 0.192 nan 8.210 nan 0.000 0.446 24 Q N 1.501 121.277 119.800 -0.040 0.000 2.172 24 Q HA -0.174 4.167 4.340 0.001 0.000 0.200 24 Q C 1.993 177.961 176.000 -0.054 0.000 0.964 24 Q CA 1.273 57.052 55.803 -0.040 0.000 0.855 24 Q CB 0.240 28.954 28.738 -0.039 0.000 0.918 24 Q HN 0.434 nan 8.270 nan 0.000 0.444 25 K N 0.232 120.604 120.400 -0.047 0.000 2.002 25 K HA -0.141 4.180 4.320 0.001 0.000 0.209 25 K C 2.208 178.770 176.600 -0.063 0.000 1.048 25 K CA 1.322 57.581 56.287 -0.046 0.000 0.930 25 K CB -0.227 32.255 32.500 -0.031 0.000 0.714 25 K HN 0.170 nan 8.250 nan 0.000 0.438 26 L N 0.830 122.018 121.223 -0.060 0.000 2.013 26 L HA -0.327 4.014 4.340 0.001 0.000 0.212 26 L C 2.715 179.521 176.870 -0.106 0.000 1.073 26 L CA 1.222 56.022 54.840 -0.067 0.000 0.753 26 L CB -0.794 41.234 42.059 -0.051 0.000 0.890 26 L HN 0.364 nan 8.230 nan 0.000 0.432 27 C N -0.094 119.128 119.300 -0.129 0.000 2.413 27 C HA -0.200 4.260 4.460 0.001 0.000 0.278 27 C C 2.431 177.184 174.990 -0.395 0.000 1.224 27 C CA 0.918 59.771 59.018 -0.275 0.000 1.732 27 C CB -0.916 26.714 27.740 -0.185 0.000 2.050 27 C HN 0.556 nan 8.230 nan 0.000 0.463 28 D N -0.150 120.112 120.400 -0.230 0.000 2.133 28 D HA -0.188 4.453 4.640 0.001 0.000 0.192 28 D C 2.361 178.577 176.300 -0.139 0.000 1.001 28 D CA 1.415 55.318 54.000 -0.162 0.000 0.844 28 D CB -0.250 40.501 40.800 -0.082 0.000 0.944 28 D HN 0.391 nan 8.370 nan 0.000 0.447 29 R N -0.062 120.370 120.500 -0.114 0.000 2.073 29 R HA -0.120 4.221 4.340 0.001 0.000 0.234 29 R C 2.045 178.290 176.300 -0.092 0.000 1.134 29 R CA 1.037 57.088 56.100 -0.082 0.000 0.952 29 R CB -0.243 30.020 30.300 -0.061 0.000 0.850 29 R HN 0.073 nan 8.270 nan 0.000 0.433 30 V N 0.668 120.508 119.914 -0.124 0.000 2.295 30 V HA -0.233 3.887 4.120 0.001 0.000 0.246 30 V C 2.368 178.389 176.094 -0.121 0.000 1.049 30 V CA 1.997 64.232 62.300 -0.108 0.000 1.024 30 V CB -0.770 30.995 31.823 -0.097 0.000 0.648 30 V HN 0.549 nan 8.190 nan 0.000 0.447 31 A N -0.316 122.401 122.820 -0.173 0.000 1.832 31 A HA -0.129 4.192 4.320 0.001 0.000 0.214 31 A C 2.476 180.028 177.584 -0.052 0.000 1.204 31 A CA 1.917 53.905 52.037 -0.082 0.000 0.606 31 A CB -0.831 18.145 19.000 -0.039 0.000 0.849 31 A HN 0.473 nan 8.150 nan 0.000 0.445 32 S N 0.294 115.960 115.700 -0.057 0.000 2.363 32 S HA -0.090 4.381 4.470 0.001 0.000 0.218 32 S C 1.477 176.060 174.600 -0.027 0.000 1.035 32 S CA 0.999 59.182 58.200 -0.029 0.000 1.043 32 S CB -0.689 62.493 63.200 -0.030 0.000 0.986 32 S HN 0.785 nan 8.310 nan 0.000 0.423 33 S N 1.405 117.084 115.700 -0.035 0.000 2.561 33 S HA -0.027 4.444 4.470 0.001 0.000 0.294 33 S C 0.723 175.310 174.600 -0.023 0.000 1.294 33 S CA 0.377 58.562 58.200 -0.026 0.000 1.055 33 S CB 0.452 63.636 63.200 -0.027 0.000 0.819 33 S HN 0.424 nan 8.310 nan 0.000 0.503 34 T N 4.364 118.910 114.554 -0.014 0.000 3.040 34 T HA 0.198 4.549 4.350 0.001 0.000 0.250 34 T C 0.095 174.790 174.700 -0.008 0.000 1.058 34 T CA -0.394 61.700 62.100 -0.010 0.000 0.988 34 T CB -0.040 68.826 68.868 -0.004 0.000 0.993 34 T HN 0.476 nan 8.240 nan 0.000 0.519 35 L N 2.891 124.110 121.223 -0.007 0.000 2.275 35 L HA 0.445 4.786 4.340 0.001 0.000 0.288 35 L C 1.048 177.917 176.870 -0.002 0.000 1.046 35 L CA -1.145 53.694 54.840 -0.002 0.000 0.805 35 L CB 0.725 42.783 42.059 -0.000 0.000 1.193 35 L HN -0.020 nan 8.230 nan 0.000 0.426 36 L N 4.156 125.380 121.223 0.002 0.000 1.990 36 L HA -0.188 4.153 4.340 0.001 0.000 0.213 36 L C 1.818 178.698 176.870 0.016 0.000 1.072 36 L CA 1.936 56.780 54.840 0.006 0.000 0.755 36 L CB -0.542 41.522 42.059 0.009 0.000 0.889 36 L HN 0.752 nan 8.230 nan 0.000 0.432 37 D N -0.601 119.809 120.400 0.017 0.000 2.158 37 D HA -0.214 4.427 4.640 0.001 0.000 0.197 37 D C 1.698 178.012 176.300 0.023 0.000 0.995 37 D CA 1.737 55.752 54.000 0.025 0.000 0.846 37 D CB -0.213 40.600 40.800 0.021 0.000 0.941 37 D HN 0.482 nan 8.370 nan 0.000 0.456 38 D N 0.357 120.763 120.400 0.011 0.000 2.117 38 D HA -0.057 4.584 4.640 0.001 0.000 0.198 38 D C 2.237 178.538 176.300 0.001 0.000 0.982 38 D CA 0.686 54.688 54.000 0.003 0.000 0.828 38 D CB -0.017 40.780 40.800 -0.005 0.000 0.967 38 D HN 0.130 nan 8.370 nan 0.000 0.464 39 R N 0.004 120.505 120.500 0.001 0.000 2.066 39 R HA -0.006 4.335 4.340 0.001 0.000 0.232 39 R C 2.316 178.633 176.300 0.028 0.000 1.131 39 R CA 0.916 57.015 56.100 -0.001 0.000 0.955 39 R CB -0.162 30.130 30.300 -0.013 0.000 0.851 39 R HN 0.077 nan 8.270 nan 0.000 0.432 40 R N 1.042 121.575 120.500 0.055 0.000 2.103 40 R HA -0.152 4.189 4.340 0.001 0.000 0.242 40 R C 1.607 177.981 176.300 0.123 0.000 1.142 40 R CA 1.939 58.113 56.100 0.124 0.000 0.960 40 R CB -0.123 30.252 30.300 0.125 0.000 0.858 40 R HN 0.219 nan 8.270 nan 0.000 0.439 41 N N 0.306 119.040 118.700 0.057 0.000 2.270 41 N HA -0.084 4.657 4.740 0.001 0.000 0.181 41 N C 1.599 177.099 175.510 -0.016 0.000 1.016 41 N CA 1.241 54.297 53.050 0.010 0.000 0.870 41 N CB -0.341 38.148 38.487 0.004 0.000 0.979 41 N HN 0.332 nan 8.380 nan 0.000 0.431 42 A N 0.947 123.763 122.820 -0.007 0.000 1.908 42 A HA -0.112 4.209 4.320 0.001 0.000 0.218 42 A C 2.428 180.001 177.584 -0.019 0.000 1.181 42 A CA 1.560 53.584 52.037 -0.021 0.000 0.627 42 A CB -0.694 18.289 19.000 -0.028 0.000 0.818 42 A HN 0.123 nan 8.150 nan 0.000 0.445 43 V N -0.539 119.382 119.914 0.011 0.000 2.488 43 V HA -0.141 3.980 4.120 0.001 0.000 0.246 43 V C 2.547 178.618 176.094 -0.037 0.000 1.046 43 V CA 1.914 64.231 62.300 0.028 0.000 1.053 43 V CB -0.798 31.087 31.823 0.104 0.000 0.679 43 V HN 0.647 nan 8.190 nan 0.000 0.458 44 R N 0.575 121.003 120.500 -0.119 0.000 2.081 44 R HA -0.136 4.205 4.340 0.001 0.000 0.235 44 R C 2.330 178.503 176.300 -0.211 0.000 1.131 44 R CA 1.537 57.418 56.100 -0.365 0.000 0.960 44 R CB -0.522 29.473 30.300 -0.509 0.000 0.856 44 R HN 0.457 nan 8.270 nan 0.000 0.436 45 A N 1.387 124.134 122.820 -0.121 0.000 1.863 45 A HA -0.246 4.074 4.320 0.001 0.000 0.218 45 A C 2.184 179.729 177.584 -0.064 0.000 1.233 45 A CA 1.915 53.905 52.037 -0.078 0.000 0.655 45 A CB -1.037 17.930 19.000 -0.054 0.000 0.839 45 A HN 0.391 nan 8.150 nan 0.000 0.454 46 L N -0.573 120.620 121.223 -0.051 0.000 2.081 46 L HA -0.256 4.085 4.340 0.001 0.000 0.212 46 L C 2.698 179.550 176.870 -0.030 0.000 1.080 46 L CA 2.055 56.876 54.840 -0.031 0.000 0.754 46 L CB -0.469 41.578 42.059 -0.020 0.000 0.893 46 L HN 0.602 nan 8.230 nan 0.000 0.433 47 K N -0.036 120.332 120.400 -0.054 0.000 2.002 47 K HA -0.174 4.147 4.320 0.001 0.000 0.209 47 K C 2.061 178.639 176.600 -0.038 0.000 1.048 47 K CA 1.896 58.154 56.287 -0.048 0.000 0.930 47 K CB -0.063 32.386 32.500 -0.085 0.000 0.714 47 K HN 0.108 nan 8.250 nan 0.000 0.438 48 S N 0.828 116.496 115.700 -0.053 0.000 2.555 48 S HA 0.040 4.511 4.470 0.001 0.000 0.230 48 S C 1.148 175.756 174.600 0.012 0.000 0.978 48 S CA 0.548 58.731 58.200 -0.028 0.000 0.934 48 S CB -0.038 63.136 63.200 -0.043 0.000 0.766 48 S HN 0.326 nan 8.310 nan 0.000 0.533 49 L N 0.901 122.141 121.223 0.027 0.000 2.872 49 L HA 0.303 4.644 4.340 0.001 0.000 0.245 49 L C 1.679 178.610 176.870 0.103 0.000 1.211 49 L CA -0.107 54.792 54.840 0.098 0.000 1.013 49 L CB -0.384 41.725 42.059 0.083 0.000 1.326 49 L HN 0.239 nan 8.230 nan 0.000 0.525 50 S N -0.765 114.957 115.700 0.038 0.000 2.384 50 S HA -0.045 4.426 4.470 0.001 0.000 0.217 50 S C 1.372 175.968 174.600 -0.006 0.000 1.041 50 S CA 0.111 58.317 58.200 0.009 0.000 0.948 50 S CB -0.108 63.079 63.200 -0.021 0.000 0.872 50 S HN 0.251 nan 8.310 nan 0.000 0.512 51 K N 1.766 122.155 120.400 -0.019 0.000 3.006 51 K HA 0.242 4.563 4.320 0.001 0.000 0.265 51 K C 0.251 176.812 176.600 -0.065 0.000 1.279 51 K CA 0.056 56.318 56.287 -0.042 0.000 1.229 51 K CB -0.132 32.348 32.500 -0.033 0.000 1.555 51 K HN 0.525 nan 8.250 nan 0.000 0.300 52 K N -0.499 119.846 120.400 -0.092 0.000 2.803 52 K HA 0.007 4.328 4.320 0.001 0.000 0.166 52 K C -0.615 175.667 176.600 -0.529 0.000 1.975 52 K CA -0.046 56.091 56.287 -0.251 0.000 1.390 52 K CB 0.422 32.833 32.500 -0.149 0.000 2.217 52 K HN 0.126 nan 8.250 nan 0.000 0.591 53 Y N 1.604 121.901 120.300 -0.005 0.000 2.578 53 Y HA 0.408 4.959 4.550 0.002 0.000 0.317 53 Y C 0.954 176.858 175.900 0.007 0.000 0.940 53 Y CA -0.791 57.311 58.100 0.005 0.000 1.174 53 Y CB 0.712 39.175 38.460 0.004 0.000 1.198 53 Y HN -0.021 nan 8.280 nan 0.000 0.597 54 R N 0.373 120.916 120.500 0.071 0.000 2.168 54 R HA -0.271 4.070 4.340 0.001 0.000 0.242 54 R C 2.044 178.416 176.300 0.120 0.000 1.123 54 R CA 2.294 58.427 56.100 0.055 0.000 0.928 54 R CB -0.618 29.714 30.300 0.053 0.000 0.873 54 R HN 0.573 nan 8.270 nan 0.000 0.434 55 L N 0.598 121.928 121.223 0.178 0.000 1.963 55 L HA -0.286 4.055 4.340 0.001 0.000 0.220 55 L C 2.502 179.506 176.870 0.223 0.000 1.076 55 L CA 2.073 57.061 54.840 0.247 0.000 0.772 55 L CB -0.384 41.769 42.059 0.156 0.000 0.892 55 L HN 0.220 nan 8.230 nan 0.000 0.435 56 E N -0.655 119.641 120.200 0.159 0.000 2.106 56 E HA -0.162 4.189 4.350 0.001 0.000 0.192 56 E C 1.897 178.543 176.600 0.077 0.000 0.984 56 E CA 1.360 57.828 56.400 0.114 0.000 0.806 56 E CB -0.182 29.569 29.700 0.085 0.000 0.750 56 E HN 0.389 nan 8.360 nan 0.000 0.458 57 V N -0.039 119.912 119.914 0.062 0.000 2.515 57 V HA -0.138 3.983 4.120 0.001 0.000 0.250 57 V C 2.162 178.214 176.094 -0.069 0.000 1.058 57 V CA 1.765 64.069 62.300 0.006 0.000 1.064 57 V CB -0.743 31.087 31.823 0.011 0.000 0.675 57 V HN 0.464 nan 8.190 nan 0.000 0.461 58 G N 0.405 109.115 108.800 -0.150 0.000 2.396 58 G HA2 -0.182 3.779 3.960 0.001 0.000 0.214 58 G HA3 -0.182 3.779 3.960 0.001 0.000 0.214 58 G C 1.560 176.387 174.900 -0.122 0.000 1.166 58 G CA 0.802 45.619 45.100 -0.471 0.000 0.793 58 G HN 0.619 nan 8.290 nan 0.000 0.533 59 I N -0.513 120.143 120.570 0.144 0.000 2.756 59 I HA -0.034 4.137 4.170 0.001 0.000 0.262 59 I C 2.033 178.220 176.117 0.117 0.000 1.225 59 I CA 1.946 63.376 61.300 0.218 0.000 1.472 59 I CB 0.015 38.133 38.000 0.197 0.000 1.094 59 I HN 0.464 nan 8.210 nan 0.000 0.454 60 Q N 0.034 119.880 119.800 0.076 0.000 2.167 60 Q HA 0.378 4.719 4.340 0.001 0.000 0.251 60 Q C 1.812 177.887 176.000 0.125 0.000 0.768 60 Q CA 0.478 56.332 55.803 0.086 0.000 0.944 60 Q CB -0.020 28.769 28.738 0.084 0.000 1.179 60 Q HN 0.295 nan 8.270 nan 0.000 0.478 61 A N 1.109 123.978 122.820 0.083 0.000 2.119 61 A HA 0.096 4.416 4.320 0.001 0.000 0.216 61 A C 1.993 179.630 177.584 0.089 0.000 1.152 61 A CA 0.708 52.813 52.037 0.114 0.000 0.708 61 A CB -0.335 18.687 19.000 0.037 0.000 0.805 61 A HN 0.426 nan 8.150 nan 0.000 0.460 62 M N -0.976 118.637 119.600 0.022 0.000 2.132 62 M HA -0.105 4.376 4.480 0.001 0.000 0.263 62 M C 1.947 178.268 176.300 0.036 0.000 1.065 62 M CA 1.583 56.894 55.300 0.017 0.000 1.122 62 M CB -0.038 32.564 32.600 0.004 0.000 1.365 62 M HN 0.332 nan 8.290 nan 0.000 0.411 63 E N -0.427 119.748 120.200 -0.041 0.000 2.150 63 E HA -0.192 4.159 4.350 0.001 0.000 0.193 63 E C 1.865 178.402 176.600 -0.105 0.000 0.985 63 E CA 1.122 57.454 56.400 -0.114 0.000 0.814 63 E CB -0.200 29.370 29.700 -0.216 0.000 0.752 63 E HN 0.666 nan 8.360 nan 0.000 0.466 64 H N -0.061 119.061 119.070 0.086 0.000 2.403 64 H HA 0.011 4.568 4.556 0.002 0.000 0.298 64 H C 2.421 177.807 175.328 0.097 0.000 1.059 64 H CA 0.586 56.697 56.048 0.104 0.000 1.363 64 H CB -0.079 29.717 29.762 0.056 0.000 1.410 64 H HN 0.138 nan 8.280 nan 0.000 0.528 65 L N 0.387 121.718 121.223 0.181 0.000 2.083 65 L HA -0.166 4.175 4.340 0.001 0.000 0.209 65 L C 2.504 179.458 176.870 0.141 0.000 1.083 65 L CA 0.932 55.851 54.840 0.131 0.000 0.752 65 L CB -0.353 41.760 42.059 0.089 0.000 0.899 65 L HN 0.155 nan 8.230 nan 0.000 0.433 66 I N -1.327 119.333 120.570 0.150 0.000 2.142 66 I HA -0.331 3.840 4.170 0.001 0.000 0.240 66 I C 2.683 178.900 176.117 0.166 0.000 1.078 66 I CA 1.112 62.502 61.300 0.150 0.000 1.343 66 I CB -0.532 37.531 38.000 0.105 0.000 1.046 66 I HN 0.298 nan 8.210 nan 0.000 0.405 67 H N 1.195 120.292 119.070 0.045 0.000 2.321 67 H HA -0.189 4.368 4.556 0.001 0.000 0.295 67 H C 2.206 177.568 175.328 0.056 0.000 1.102 67 H CA 2.147 58.223 56.048 0.046 0.000 1.266 67 H CB -0.534 29.266 29.762 0.064 0.000 1.363 67 H HN 0.086 nan 8.280 nan 0.000 0.492 68 V N 1.038 121.042 119.914 0.149 0.000 2.220 68 V HA -0.311 3.810 4.120 0.001 0.000 0.250 68 V C 3.099 179.244 176.094 0.085 0.000 1.056 68 V CA 2.138 64.474 62.300 0.059 0.000 1.016 68 V CB -0.942 30.917 31.823 0.061 0.000 0.639 68 V HN 0.346 nan 8.190 nan 0.000 0.446 69 L N -0.754 120.529 121.223 0.100 0.000 2.129 69 L HA -0.282 4.059 4.340 0.001 0.000 0.212 69 L C 2.525 179.447 176.870 0.087 0.000 1.087 69 L CA 1.704 56.596 54.840 0.087 0.000 0.757 69 L CB -0.434 41.686 42.059 0.101 0.000 0.896 69 L HN 0.429 nan 8.230 nan 0.000 0.434 70 Q N -1.293 118.579 119.800 0.119 0.000 2.444 70 Q HA -0.077 4.263 4.340 0.001 0.000 0.206 70 Q C 1.373 177.444 176.000 0.117 0.000 0.948 70 Q CA 1.372 57.239 55.803 0.107 0.000 0.946 70 Q CB 0.314 29.113 28.738 0.101 0.000 1.027 70 Q HN 0.655 nan 8.270 nan 0.000 0.513 71 T N -5.494 109.132 114.554 0.120 0.000 3.236 71 T HA 0.070 4.421 4.350 0.001 0.000 0.265 71 T C 0.642 175.372 174.700 0.051 0.000 0.912 71 T CA -0.304 61.854 62.100 0.096 0.000 0.946 71 T CB -0.119 68.829 68.868 0.132 0.000 1.241 71 T HN -0.020 nan 8.240 nan 0.000 0.513 72 D N 1.966 122.387 120.400 0.036 0.000 2.870 72 D HA 0.228 4.869 4.640 0.001 0.000 0.241 72 D C 1.249 177.561 176.300 0.020 0.000 1.234 72 D CA -0.070 53.941 54.000 0.019 0.000 0.844 72 D CB 0.292 41.096 40.800 0.007 0.000 1.051 72 D HN 0.444 nan 8.370 nan 0.000 0.469 73 R N -0.027 120.487 120.500 0.024 0.000 2.193 73 R HA -0.045 4.295 4.340 0.001 0.000 0.213 73 R C 2.300 178.609 176.300 0.015 0.000 1.055 73 R CA 0.497 56.609 56.100 0.020 0.000 0.995 73 R CB 0.039 30.353 30.300 0.024 0.000 0.893 73 R HN 0.116 nan 8.270 nan 0.000 0.459 74 S N 0.761 116.470 115.700 0.016 0.000 2.399 74 S HA -0.165 4.306 4.470 0.001 0.000 0.231 74 S C 0.748 175.357 174.600 0.015 0.000 1.022 74 S CA 1.006 59.215 58.200 0.015 0.000 0.983 74 S CB -0.175 63.034 63.200 0.015 0.000 0.803 74 S HN 0.169 nan 8.310 nan 0.000 0.480 75 D N 1.679 122.087 120.400 0.012 0.000 2.456 75 D HA 0.382 5.023 4.640 0.001 0.000 0.219 75 D C 0.983 177.286 176.300 0.004 0.000 1.126 75 D CA 0.019 54.025 54.000 0.010 0.000 0.890 75 D CB 0.982 41.785 40.800 0.005 0.000 1.025 75 D HN 0.226 nan 8.370 nan 0.000 0.511 76 S N 2.319 118.032 115.700 0.022 0.000 2.561 76 S HA -0.084 4.387 4.470 0.001 0.000 0.225 76 S C 1.515 176.167 174.600 0.087 0.000 0.977 76 S CA 0.180 58.395 58.200 0.024 0.000 0.926 76 S CB -0.022 63.165 63.200 -0.022 0.000 0.769 76 S HN 0.567 nan 8.310 nan 0.000 0.533 77 E N 1.232 121.432 120.200 -0.001 0.000 2.007 77 E HA -0.091 4.260 4.350 0.001 0.000 0.194 77 E C 1.903 178.179 176.600 -0.540 0.000 0.999 77 E CA 1.368 57.590 56.400 -0.295 0.000 0.811 77 E CB -0.271 29.259 29.700 -0.283 0.000 0.762 77 E HN 0.649 nan 8.360 nan 0.000 0.450 78 I N 1.014 121.432 120.570 -0.254 0.000 2.454 78 I HA -0.243 3.928 4.170 0.001 0.000 0.254 78 I C 1.806 177.909 176.117 -0.023 0.000 1.156 78 I CA 0.610 61.861 61.300 -0.082 0.000 1.433 78 I CB 0.079 38.098 38.000 0.031 0.000 1.082 78 I HN 0.215 nan 8.210 nan 0.000 0.432 79 I N 0.928 121.473 120.570 -0.042 0.000 2.202 79 I HA -0.159 4.012 4.170 0.001 0.000 0.242 79 I C 2.641 178.760 176.117 0.004 0.000 1.091 79 I CA 1.687 62.985 61.300 -0.002 0.000 1.368 79 I CB -2.012 35.982 38.000 -0.010 0.000 1.058 79 I HN 0.307 nan 8.210 nan 0.000 0.410 80 G N -0.293 108.497 108.800 -0.015 0.000 2.443 80 G HA2 -0.243 3.718 3.960 0.001 0.000 0.219 80 G HA3 -0.243 3.718 3.960 0.001 0.000 0.219 80 G C 1.510 176.481 174.900 0.118 0.000 1.131 80 G CA 0.282 45.402 45.100 0.033 0.000 0.775 80 G HN 0.222 nan 8.290 nan 0.000 0.547 81 Y N 1.247 121.576 120.300 0.049 0.000 2.200 81 Y HA 0.103 4.654 4.550 0.001 0.000 0.290 81 Y C 3.076 178.982 175.900 0.010 0.000 1.137 81 Y CA 0.025 58.138 58.100 0.022 0.000 1.163 81 Y CB -1.093 37.378 38.460 0.019 0.000 0.988 81 Y HN 0.253 nan 8.280 nan 0.000 0.518 82 A N 0.088 123.014 122.820 0.177 0.000 1.902 82 A HA -0.146 4.175 4.320 0.001 0.000 0.217 82 A C 2.380 179.997 177.584 0.056 0.000 1.181 82 A CA 1.552 53.648 52.037 0.098 0.000 0.623 82 A CB -1.114 17.937 19.000 0.085 0.000 0.818 82 A HN 0.445 nan 8.150 nan 0.000 0.443 83 L N -0.716 120.531 121.223 0.039 0.000 2.056 83 L HA -0.161 4.180 4.340 0.001 0.000 0.207 83 L C 2.184 179.044 176.870 -0.017 0.000 1.078 83 L CA 1.310 56.144 54.840 -0.010 0.000 0.749 83 L CB -0.585 41.448 42.059 -0.042 0.000 0.901 83 L HN 0.338 nan 8.230 nan 0.000 0.433 84 D N -0.382 120.023 120.400 0.007 0.000 2.084 84 D HA -0.156 4.485 4.640 0.001 0.000 0.194 84 D C 2.102 178.428 176.300 0.042 0.000 0.990 84 D CA 1.986 55.991 54.000 0.009 0.000 0.826 84 D CB -0.227 40.599 40.800 0.043 0.000 0.971 84 D HN 0.288 nan 8.370 nan 0.000 0.453 85 T N 1.793 116.365 114.554 0.028 0.000 2.635 85 T HA -0.154 4.197 4.350 0.001 0.000 0.267 85 T C 2.330 177.004 174.700 -0.043 0.000 1.040 85 T CA 0.792 62.889 62.100 -0.004 0.000 1.156 85 T CB -0.576 68.291 68.868 -0.001 0.000 0.863 85 T HN 0.117 nan 8.240 nan 0.000 0.430 86 L N -0.422 120.771 121.223 -0.049 0.000 2.079 86 L HA -0.137 4.203 4.340 0.001 0.000 0.210 86 L C 2.440 179.234 176.870 -0.127 0.000 1.081 86 L CA 1.580 56.349 54.840 -0.118 0.000 0.752 86 L CB -0.598 41.382 42.059 -0.132 0.000 0.896 86 L HN 0.280 nan 8.230 nan 0.000 0.433 87 Y N 1.161 121.349 120.300 -0.187 0.000 2.181 87 Y HA -0.263 4.287 4.550 0.001 0.000 0.288 87 Y C 2.477 178.291 175.900 -0.144 0.000 1.146 87 Y CA 1.731 59.722 58.100 -0.182 0.000 1.164 87 Y CB -0.201 38.139 38.460 -0.199 0.000 0.982 87 Y HN 0.230 nan 8.280 nan 0.000 0.515 88 N N 0.465 119.104 118.700 -0.101 0.000 2.244 88 N HA -0.144 4.597 4.740 0.001 0.000 0.183 88 N C 1.858 177.255 175.510 -0.188 0.000 1.016 88 N CA 1.762 54.718 53.050 -0.156 0.000 0.866 88 N CB -0.256 38.202 38.487 -0.048 0.000 0.980 88 N HN 0.481 nan 8.380 nan 0.000 0.430 89 I N 0.301 120.750 120.570 -0.201 0.000 2.333 89 I HA -0.109 4.062 4.170 0.001 0.000 0.246 89 I C 1.887 177.903 176.117 -0.168 0.000 1.106 89 I CA 0.882 62.028 61.300 -0.257 0.000 1.411 89 I CB -0.009 37.722 38.000 -0.448 0.000 1.082 89 I HN -0.011 nan 8.210 nan 0.000 0.420 90 I N -0.586 119.866 120.570 -0.196 0.000 2.703 90 I HA -0.073 4.098 4.170 0.001 0.000 0.259 90 I C 1.471 177.481 176.117 -0.178 0.000 1.151 90 I CA 0.152 61.383 61.300 -0.116 0.000 1.470 90 I CB 0.151 38.050 38.000 -0.168 0.000 1.112 90 I HN 0.063 nan 8.210 nan 0.000 0.437 91 S N 1.269 116.735 115.700 -0.390 0.000 2.549 91 S HA 0.096 4.567 4.470 0.001 0.000 0.279 91 S C 0.588 175.026 174.600 -0.270 0.000 1.321 91 S CA -0.162 57.754 58.200 -0.473 0.000 1.054 91 S CB 0.318 62.835 63.200 -1.138 0.000 0.899 91 S HN 0.223 nan 8.310 nan 0.000 0.497 92 N N 2.888 121.486 118.700 -0.171 0.000 2.282 92 N HA 0.178 4.919 4.740 0.001 0.000 0.240 92 N C -0.224 175.241 175.510 -0.074 0.000 1.182 92 N CA -0.203 52.787 53.050 -0.100 0.000 0.874 92 N CB 0.587 39.038 38.487 -0.059 0.000 1.126 92 N HN 0.565 nan 8.380 nan 0.000 0.516 93 D N 0.621 120.968 120.400 -0.088 0.000 2.219 93 D HA -0.107 4.534 4.640 0.001 0.000 0.205 93 D C 1.537 177.833 176.300 -0.006 0.000 0.970 93 D CA 0.970 54.959 54.000 -0.019 0.000 0.851 93 D CB 0.382 41.208 40.800 0.044 0.000 0.943 93 D HN 0.178 nan 8.370 nan 0.000 0.488 94 E N 0.960 121.144 120.200 -0.028 0.000 2.038 94 E HA -0.077 4.274 4.350 0.001 0.000 0.195 94 E C 0.438 177.030 176.600 -0.014 0.000 1.000 94 E CA 0.742 57.133 56.400 -0.015 0.000 0.803 94 E CB -0.145 29.536 29.700 -0.031 0.000 0.750 94 E HN 0.329 nan 8.360 nan 0.000 0.448 95 E N 1.898 122.083 120.200 -0.025 0.000 2.351 95 E HA 0.001 4.352 4.350 0.001 0.000 0.266 95 E C -0.569 176.024 176.600 -0.012 0.000 1.031 95 E CA 0.085 56.473 56.400 -0.020 0.000 0.911 95 E CB 0.475 30.159 29.700 -0.026 0.000 0.986 95 E HN 0.195 nan 8.360 nan 0.000 0.446 96 E N 2.412 122.607 120.200 -0.008 0.000 1.993 96 E HA 0.175 4.526 4.350 0.001 0.000 0.271 96 E C -0.062 176.535 176.600 -0.005 0.000 1.008 96 E CA -0.693 55.705 56.400 -0.003 0.000 0.814 96 E CB 0.612 30.312 29.700 0.001 0.000 1.098 96 E HN 0.279 nan 8.360 nan 0.000 0.407 109 L N 0.673 121.845 121.223 -0.086 0.000 2.083 109 L HA 0.147 4.487 4.340 0.001 0.000 0.209 109 L C 2.608 179.439 176.870 -0.066 0.000 1.083 109 L CA 2.356 57.112 54.840 -0.139 0.000 0.752 109 L CB -2.052 40.024 42.059 0.029 0.000 0.899 109 L HN 0.764 nan 8.230 nan 0.000 0.433 110 G N 0.351 109.154 108.800 0.006 0.000 2.529 110 G HA2 -0.347 3.614 3.960 0.001 0.000 0.219 110 G HA3 -0.347 3.614 3.960 0.001 0.000 0.219 110 G C 1.749 176.660 174.900 0.018 0.000 1.177 110 G CA 1.583 46.700 45.100 0.029 0.000 0.773 110 G HN 0.546 nan 8.290 nan 0.000 0.573 111 S N -0.548 115.135 115.700 -0.028 0.000 2.461 111 S HA 0.006 4.477 4.470 0.001 0.000 0.228 111 S C 2.114 176.682 174.600 -0.054 0.000 1.005 111 S CA 1.285 59.471 58.200 -0.024 0.000 0.942 111 S CB -0.111 63.073 63.200 -0.028 0.000 0.776 111 S HN 0.493 nan 8.310 nan 0.000 0.514 112 Q N -0.193 119.513 119.800 -0.156 0.000 2.124 112 Q HA -0.079 4.262 4.340 0.001 0.000 0.202 112 Q C 1.176 177.044 176.000 -0.221 0.000 0.977 112 Q CA 1.424 57.068 55.803 -0.265 0.000 0.850 112 Q CB -0.135 28.311 28.738 -0.487 0.000 0.901 112 Q HN 0.663 nan 8.270 nan 0.000 0.429 113 F N -0.614 119.341 119.950 0.009 0.000 2.387 113 F HA 0.021 4.548 4.527 0.001 0.000 0.294 113 F C 2.436 178.275 175.800 0.064 0.000 1.093 113 F CA 0.902 58.919 58.000 0.028 0.000 1.420 113 F CB -0.598 38.402 39.000 -0.000 0.000 1.086 113 F HN -0.026 nan 8.300 nan 0.000 0.531 114 T N -0.254 114.422 114.554 0.205 0.000 2.788 114 T HA -0.157 4.194 4.350 0.001 0.000 0.268 114 T C 1.898 176.704 174.700 0.177 0.000 1.044 114 T CA 1.403 63.605 62.100 0.171 0.000 1.139 114 T CB -0.127 68.796 68.868 0.092 0.000 0.867 114 T HN 0.164 nan 8.240 nan 0.000 0.454 115 E N 0.796 121.064 120.200 0.112 0.000 2.031 115 E HA -0.066 4.285 4.350 0.001 0.000 0.193 115 E C 2.301 178.958 176.600 0.096 0.000 0.994 115 E CA 0.962 57.408 56.400 0.076 0.000 0.800 115 E CB -0.407 29.310 29.700 0.028 0.000 0.752 115 E HN 0.500 nan 8.360 nan 0.000 0.447 116 I N 0.485 121.134 120.570 0.132 0.000 2.163 116 I HA -0.285 3.885 4.170 0.001 0.000 0.243 116 I C 2.414 178.621 176.117 0.149 0.000 1.085 116 I CA 1.153 62.538 61.300 0.142 0.000 1.347 116 I CB -0.295 37.839 38.000 0.223 0.000 1.044 116 I HN 0.014 nan 8.210 nan 0.000 0.408 117 F N 1.743 121.736 119.950 0.071 0.000 2.186 117 F HA -0.160 4.367 4.527 0.000 0.000 0.299 117 F C 2.173 177.989 175.800 0.027 0.000 1.090 117 F CA 1.670 59.696 58.000 0.045 0.000 1.307 117 F CB -0.140 38.887 39.000 0.045 0.000 1.019 117 F HN 0.056 nan 8.300 nan 0.000 0.489 118 I N -1.793 118.803 120.570 0.044 0.000 3.578 118 I HA 0.044 4.215 4.170 0.001 0.000 0.295 118 I C 2.016 178.090 176.117 -0.071 0.000 1.280 118 I CA 0.459 61.729 61.300 -0.050 0.000 1.347 118 I CB -0.658 37.383 38.000 0.070 0.000 1.051 118 I HN 0.062 nan 8.210 nan 0.000 0.460 119 K N 1.441 121.811 120.400 -0.051 0.000 2.218 119 K HA -0.167 4.154 4.320 0.001 0.000 0.205 119 K C 0.439 176.991 176.600 -0.080 0.000 1.046 119 K CA 1.417 57.675 56.287 -0.048 0.000 0.933 119 K CB 0.018 32.500 32.500 -0.029 0.000 0.728 119 K HN 0.385 nan 8.250 nan 0.000 0.454 120 Q N 0.624 120.342 119.800 -0.137 0.000 2.456 120 Q HA 0.076 4.417 4.340 0.001 0.000 0.234 120 Q C 0.058 175.966 176.000 -0.153 0.000 1.061 120 Q CA -0.065 55.652 55.803 -0.143 0.000 0.896 120 Q CB 1.572 30.209 28.738 -0.169 0.000 1.233 120 Q HN 0.160 nan 8.270 nan 0.000 0.506 121 Q N 1.926 121.668 119.800 -0.096 0.000 2.167 121 Q HA -0.350 3.991 4.340 0.001 0.000 0.218 121 Q C 1.501 177.449 176.000 -0.087 0.000 1.033 121 Q CA 2.654 58.414 55.803 -0.072 0.000 0.918 121 Q CB 0.158 28.868 28.738 -0.047 0.000 1.019 121 Q HN 0.750 nan 8.270 nan 0.000 0.417 122 E N -0.855 119.289 120.200 -0.093 0.000 2.268 122 E HA -0.173 4.178 4.350 0.001 0.000 0.195 122 E C 1.245 177.781 176.600 -0.106 0.000 0.995 122 E CA 1.170 57.523 56.400 -0.079 0.000 0.836 122 E CB -0.423 29.237 29.700 -0.066 0.000 0.763 122 E HN 0.433 nan 8.360 nan 0.000 0.491 123 N N 1.135 119.710 118.700 -0.209 0.000 2.223 123 N HA -0.090 4.651 4.740 0.001 0.000 0.185 123 N C 1.944 177.352 175.510 -0.171 0.000 1.016 123 N CA 1.141 53.993 53.050 -0.330 0.000 0.863 123 N CB -0.291 37.679 38.487 -0.862 0.000 0.983 123 N HN 0.086 nan 8.380 nan 0.000 0.429 124 V N 0.894 120.746 119.914 -0.104 0.000 2.323 124 V HA -0.164 3.957 4.120 0.001 0.000 0.244 124 V C 2.408 178.537 176.094 0.059 0.000 1.041 124 V CA 2.075 64.417 62.300 0.071 0.000 1.025 124 V CB -1.156 30.704 31.823 0.063 0.000 0.656 124 V HN 0.489 nan 8.190 nan 0.000 0.451 125 T N -0.994 113.569 114.554 0.016 0.000 2.929 125 T HA -0.152 4.199 4.350 0.001 0.000 0.271 125 T C 1.783 176.498 174.700 0.025 0.000 1.085 125 T CA 1.392 63.503 62.100 0.019 0.000 1.125 125 T CB -0.341 68.529 68.868 0.002 0.000 0.874 125 T HN 0.280 nan 8.240 nan 0.000 0.494 126 L N -0.100 121.138 121.223 0.026 0.000 2.313 126 L HA 0.408 4.749 4.340 0.001 0.000 0.214 126 L C 2.092 179.000 176.870 0.064 0.000 1.119 126 L CA 0.972 55.835 54.840 0.037 0.000 0.809 126 L CB -0.677 41.400 42.059 0.030 0.000 0.933 126 L HN 0.304 nan 8.230 nan 0.000 0.449 127 L N -1.441 119.838 121.223 0.094 0.000 2.072 127 L HA -0.140 4.201 4.340 0.001 0.000 0.205 127 L C 2.325 179.230 176.870 0.058 0.000 1.079 127 L CA 1.023 55.922 54.840 0.099 0.000 0.752 127 L CB -0.127 42.026 42.059 0.156 0.000 0.906 127 L HN 0.262 nan 8.230 nan 0.000 0.436 128 L N -0.965 120.291 121.223 0.054 0.000 2.187 128 L HA -0.241 4.100 4.340 0.001 0.000 0.213 128 L C 2.709 179.598 176.870 0.031 0.000 1.100 128 L CA 1.311 56.174 54.840 0.038 0.000 0.765 128 L CB -0.524 41.557 42.059 0.036 0.000 0.904 128 L HN 0.304 nan 8.230 nan 0.000 0.437 129 S N 0.009 115.728 115.700 0.031 0.000 2.377 129 S HA -0.041 4.430 4.470 0.001 0.000 0.223 129 S C 1.970 176.583 174.600 0.023 0.000 1.030 129 S CA 0.524 58.740 58.200 0.026 0.000 0.970 129 S CB -0.066 63.149 63.200 0.025 0.000 0.830 129 S HN 0.323 nan 8.310 nan 0.000 0.473 130 L N 1.417 122.654 121.223 0.023 0.000 2.131 130 L HA -0.024 4.317 4.340 0.001 0.000 0.210 130 L C 2.221 179.090 176.870 -0.001 0.000 1.092 130 L CA 0.924 55.770 54.840 0.009 0.000 0.759 130 L CB -0.468 41.597 42.059 0.009 0.000 0.903 130 L HN 0.361 nan 8.230 nan 0.000 0.435 131 L N -0.754 120.472 121.223 0.005 0.000 2.275 131 L HA -0.148 4.193 4.340 0.001 0.000 0.215 131 L C 2.194 179.073 176.870 0.014 0.000 1.119 131 L CA 0.905 55.745 54.840 -0.000 0.000 0.790 131 L CB -0.560 41.504 42.059 0.007 0.000 0.919 131 L HN 0.350 nan 8.230 nan 0.000 0.443 132 E N 0.186 120.401 120.200 0.025 0.000 2.347 132 E HA -0.126 4.225 4.350 0.001 0.000 0.196 132 E C 0.494 177.129 176.600 0.059 0.000 1.008 132 E CA 0.181 56.606 56.400 0.042 0.000 0.852 132 E CB 0.148 29.870 29.700 0.036 0.000 0.783 132 E HN 0.312 nan 8.360 nan 0.000 0.505 133 E N -0.161 120.061 120.200 0.038 0.000 2.360 133 E HA -0.020 4.331 4.350 0.001 0.000 0.269 133 E C 0.005 176.651 176.600 0.075 0.000 1.022 133 E CA -0.057 56.371 56.400 0.048 0.000 0.887 133 E CB 0.448 30.147 29.700 -0.003 0.000 0.990 133 E HN 0.008 nan 8.360 nan 0.000 0.426 134 F N 2.594 122.526 119.950 -0.029 0.000 2.270 134 F HA 0.010 4.537 4.527 0.001 0.000 0.295 134 F C 0.336 176.127 175.800 -0.014 0.000 1.087 134 F CA 0.106 58.099 58.000 -0.012 0.000 1.365 134 F CB 0.406 39.405 39.000 -0.001 0.000 1.056 134 F HN 0.408 nan 8.300 nan 0.000 0.506 135 D N 1.546 121.947 120.400 0.002 0.000 2.923 135 D HA -0.235 4.406 4.640 0.001 0.000 0.220 135 D C 0.907 177.073 176.300 -0.223 0.000 1.099 135 D CA 0.684 54.596 54.000 -0.145 0.000 0.807 135 D CB 0.116 40.743 40.800 -0.288 0.000 1.155 135 D HN 0.258 nan 8.370 nan 0.000 0.524 136 F N 3.186 122.983 119.950 -0.256 0.000 2.134 136 F HA -0.226 4.302 4.527 0.002 0.000 0.299 136 F C 2.205 177.994 175.800 -0.018 0.000 1.097 136 F CA 1.648 59.555 58.000 -0.154 0.000 1.264 136 F CB -0.128 38.807 39.000 -0.108 0.000 1.001 136 F HN 0.571 nan 8.300 nan 0.000 0.479 137 H N -2.348 116.781 119.070 0.099 0.000 2.559 137 H HA 0.079 4.636 4.556 0.002 0.000 0.273 137 H C 1.495 176.782 175.328 -0.069 0.000 1.000 137 H CA 1.126 57.197 56.048 0.039 0.000 1.195 137 H CB -0.820 28.998 29.762 0.093 0.000 1.368 137 H HN 0.235 nan 8.280 nan 0.000 0.592 138 V N 0.063 119.815 119.914 -0.270 0.000 2.690 138 V HA 0.006 4.127 4.120 0.001 0.000 0.240 138 V C 2.595 178.587 176.094 -0.169 0.000 1.078 138 V CA 0.970 63.158 62.300 -0.187 0.000 1.102 138 V CB -0.195 31.513 31.823 -0.192 0.000 0.800 138 V HN 0.302 nan 8.190 nan 0.000 0.479 139 R N -0.939 119.442 120.500 -0.197 0.000 2.081 139 R HA -0.233 4.108 4.340 0.001 0.000 0.235 139 R C 2.157 178.368 176.300 -0.149 0.000 1.131 139 R CA 2.251 58.256 56.100 -0.158 0.000 0.960 139 R CB -0.310 29.892 30.300 -0.164 0.000 0.856 139 R HN 0.594 nan 8.270 nan 0.000 0.436 140 W N 2.251 123.242 121.300 -0.515 0.000 2.407 140 W HA 0.016 4.677 4.660 0.001 0.000 0.305 140 W C -1.249 175.040 176.519 -0.384 0.000 1.196 140 W CA 0.715 57.734 57.345 -0.543 0.000 1.311 140 W CB -1.066 27.797 29.460 -0.995 0.000 1.135 140 W HN 0.099 nan 8.180 nan 0.000 0.514 141 P HA -0.076 nan 4.420 nan 0.000 0.218 141 P C 1.829 178.921 177.300 -0.346 0.000 1.149 141 P CA 2.627 65.394 63.100 -0.556 0.000 0.817 141 P CB -0.597 30.892 31.700 -0.351 0.000 0.785 142 G N 0.636 109.308 108.800 -0.212 0.000 2.446 142 G HA2 -0.244 3.717 3.960 0.001 0.000 0.217 142 G HA3 -0.244 3.717 3.960 0.001 0.000 0.217 142 G C 1.732 176.569 174.900 -0.105 0.000 1.168 142 G CA 1.000 46.026 45.100 -0.123 0.000 0.771 142 G HN 0.177 nan 8.290 nan 0.000 0.551 143 V N 0.475 120.324 119.914 -0.109 0.000 2.407 143 V HA -0.130 3.991 4.120 0.001 0.000 0.248 143 V C 2.762 178.801 176.094 -0.092 0.000 1.055 143 V CA 2.256 64.519 62.300 -0.062 0.000 1.049 143 V CB -0.371 31.449 31.823 -0.005 0.000 0.662 143 V HN 0.317 nan 8.190 nan 0.000 0.455 144 K N -0.537 119.725 120.400 -0.229 0.000 2.103 144 K HA -0.103 4.218 4.320 0.001 0.000 0.204 144 K C 1.996 178.578 176.600 -0.030 0.000 1.052 144 K CA 1.037 57.172 56.287 -0.253 0.000 0.945 144 K CB -0.262 31.783 32.500 -0.758 0.000 0.722 144 K HN 0.268 nan 8.250 nan 0.000 0.443 145 L N 0.771 121.965 121.223 -0.048 0.000 2.027 145 L HA -0.075 4.266 4.340 0.001 0.000 0.206 145 L C 1.849 178.709 176.870 -0.017 0.000 1.074 145 L CA 1.435 56.297 54.840 0.036 0.000 0.745 145 L CB -0.539 41.482 42.059 -0.064 0.000 0.898 145 L HN 0.098 nan 8.230 nan 0.000 0.433 146 L N -0.870 120.341 121.223 -0.020 0.000 2.191 146 L HA -0.132 4.209 4.340 0.001 0.000 0.212 146 L C 2.211 179.094 176.870 0.021 0.000 1.103 146 L CA 2.151 56.997 54.840 0.010 0.000 0.769 146 L CB -1.025 41.047 42.059 0.021 0.000 0.908 146 L HN 0.342 nan 8.230 nan 0.000 0.438 147 T N -2.019 112.548 114.554 0.021 0.000 2.857 147 T HA -0.125 4.226 4.350 0.001 0.000 0.266 147 T C 2.059 176.781 174.700 0.036 0.000 1.048 147 T CA 1.360 63.479 62.100 0.032 0.000 1.139 147 T CB -0.171 68.718 68.868 0.035 0.000 0.874 147 T HN 0.381 nan 8.240 nan 0.000 0.455 148 S N 0.805 116.532 115.700 0.045 0.000 2.368 148 S HA 0.015 4.486 4.470 0.001 0.000 0.224 148 S C 2.024 176.625 174.600 0.002 0.000 1.029 148 S CA 0.740 58.952 58.200 0.019 0.000 0.988 148 S CB -0.515 62.681 63.200 -0.008 0.000 0.838 148 S HN 0.395 nan 8.310 nan 0.000 0.462 149 L N 0.920 122.144 121.223 0.001 0.000 2.012 149 L HA -0.150 4.191 4.340 0.001 0.000 0.210 149 L C 2.458 179.351 176.870 0.038 0.000 1.073 149 L CA 1.329 56.183 54.840 0.024 0.000 0.748 149 L CB -0.620 41.470 42.059 0.052 0.000 0.891 149 L HN 0.336 nan 8.230 nan 0.000 0.431 150 L N -0.503 120.742 121.223 0.037 0.000 2.083 150 L HA -0.224 4.117 4.340 0.001 0.000 0.209 150 L C 2.598 179.484 176.870 0.027 0.000 1.083 150 L CA 1.340 56.201 54.840 0.035 0.000 0.752 150 L CB -0.330 41.750 42.059 0.034 0.000 0.899 150 L HN 0.174 nan 8.230 nan 0.000 0.433 151 K N -0.594 119.820 120.400 0.022 0.000 2.097 151 K HA -0.153 4.167 4.320 0.001 0.000 0.205 151 K C 2.166 178.773 176.600 0.012 0.000 1.050 151 K CA 1.168 57.465 56.287 0.016 0.000 0.938 151 K CB 0.004 32.513 32.500 0.014 0.000 0.718 151 K HN 0.356 nan 8.250 nan 0.000 0.442 152 Q N -0.439 119.368 119.800 0.012 0.000 2.269 152 Q HA 0.065 4.406 4.340 0.001 0.000 0.201 152 Q C 0.165 176.175 176.000 0.016 0.000 0.946 152 Q CA 0.714 56.523 55.803 0.010 0.000 0.877 152 Q CB 0.505 29.247 28.738 0.006 0.000 0.963 152 Q HN 0.216 nan 8.270 nan 0.000 0.472 153 L N -0.086 121.152 121.223 0.025 0.000 2.472 153 L HA 0.306 4.646 4.340 0.001 0.000 0.256 153 L C 0.845 177.732 176.870 0.029 0.000 1.560 153 L CA -0.513 54.343 54.840 0.027 0.000 0.805 153 L CB 0.994 43.074 42.059 0.036 0.000 1.017 153 L HN 0.092 nan 8.230 nan 0.000 0.519 154 G N 1.125 109.939 108.800 0.024 0.000 2.433 154 G HA2 -0.125 3.836 3.960 0.001 0.000 0.216 154 G HA3 -0.125 3.836 3.960 0.001 0.000 0.216 154 G C -0.801 174.114 174.900 0.024 0.000 1.186 154 G CA 0.946 46.062 45.100 0.025 0.000 0.779 154 G HN 0.325 nan 8.290 nan 0.000 0.543 155 P HA -0.094 nan 4.420 nan 0.000 0.216 155 P C 1.946 179.257 177.300 0.019 0.000 1.150 155 P CA 1.308 64.418 63.100 0.018 0.000 0.843 155 P CB 0.002 31.710 31.700 0.014 0.000 0.787 156 Q N -1.027 118.786 119.800 0.021 0.000 2.020 156 Q HA -0.080 4.261 4.340 0.001 0.000 0.198 156 Q C 2.092 178.108 176.000 0.028 0.000 0.974 156 Q CA 1.289 57.105 55.803 0.022 0.000 0.829 156 Q CB -0.687 28.065 28.738 0.023 0.000 0.894 156 Q HN 0.075 nan 8.270 nan 0.000 0.433 157 V N 1.101 121.037 119.914 0.038 0.000 2.407 157 V HA -0.277 3.844 4.120 0.001 0.000 0.248 157 V C 2.086 178.203 176.094 0.039 0.000 1.055 157 V CA 1.787 64.116 62.300 0.048 0.000 1.049 157 V CB -0.597 31.265 31.823 0.064 0.000 0.662 157 V HN 0.363 nan 8.190 nan 0.000 0.455 158 Q N -0.417 119.403 119.800 0.032 0.000 2.084 158 Q HA -0.295 4.046 4.340 0.001 0.000 0.202 158 Q C 2.385 178.399 176.000 0.023 0.000 0.978 158 Q CA 1.951 57.771 55.803 0.028 0.000 0.844 158 Q CB -0.208 28.545 28.738 0.025 0.000 0.898 158 Q HN 0.579 nan 8.270 nan 0.000 0.426 159 Q N 0.801 120.613 119.800 0.020 0.000 2.119 159 Q HA -0.113 4.228 4.340 0.001 0.000 0.201 159 Q C 1.817 177.825 176.000 0.013 0.000 0.972 159 Q CA 1.293 57.105 55.803 0.014 0.000 0.847 159 Q CB -0.111 28.634 28.738 0.011 0.000 0.903 159 Q HN 0.366 nan 8.270 nan 0.000 0.433 160 I N 0.104 120.683 120.570 0.016 0.000 2.151 160 I HA -0.295 3.876 4.170 0.001 0.000 0.243 160 I C 2.139 178.266 176.117 0.016 0.000 1.080 160 I CA 1.454 62.761 61.300 0.013 0.000 1.339 160 I CB -0.734 37.276 38.000 0.016 0.000 1.039 160 I HN 0.266 nan 8.210 nan 0.000 0.409 161 I N 0.181 120.764 120.570 0.023 0.000 2.439 161 I HA -0.243 3.928 4.170 0.001 0.000 0.251 161 I C 2.523 178.653 176.117 0.021 0.000 1.139 161 I CA 0.774 62.090 61.300 0.025 0.000 1.438 161 I CB -0.201 37.818 38.000 0.032 0.000 1.085 161 I HN 0.188 nan 8.210 nan 0.000 0.427 162 L N 0.876 122.110 121.223 0.019 0.000 2.156 162 L HA -0.097 4.244 4.340 0.001 0.000 0.208 162 L C 2.376 179.252 176.870 0.011 0.000 1.095 162 L CA 1.560 56.410 54.840 0.016 0.000 0.770 162 L CB -0.288 41.779 42.059 0.014 0.000 0.914 162 L HN 0.229 nan 8.230 nan 0.000 0.439 163 V N -2.824 117.095 119.914 0.009 0.000 2.951 163 V HA 0.104 4.225 4.120 0.001 0.000 0.255 163 V C 1.185 177.282 176.094 0.005 0.000 1.088 163 V CA 0.492 62.795 62.300 0.005 0.000 1.109 163 V CB -1.160 30.665 31.823 0.002 0.000 0.724 163 V HN 0.538 nan 8.190 nan 0.000 0.471 164 S N 0.961 116.666 115.700 0.008 0.000 2.565 164 S HA 0.507 4.978 4.470 0.001 0.000 0.274 164 S C -2.524 172.083 174.600 0.012 0.000 1.309 164 S CA -1.290 56.916 58.200 0.008 0.000 1.043 164 S CB 0.451 63.657 63.200 0.010 0.000 0.939 164 S HN 0.332 nan 8.310 nan 0.000 0.504 165 P HA -0.010 nan 4.420 nan 0.000 0.247 165 P C 0.161 177.472 177.300 0.019 0.000 1.141 165 P CA 0.714 63.822 63.100 0.013 0.000 0.858 165 P CB -0.458 31.248 31.700 0.011 0.000 0.804 166 M N 1.132 120.746 119.600 0.023 0.000 2.393 166 M HA -0.262 4.219 4.480 0.001 0.000 0.201 166 M C 1.419 177.737 176.300 0.030 0.000 0.403 166 M CA 0.685 56.003 55.300 0.030 0.000 0.471 166 M CB -1.526 31.094 32.600 0.034 0.000 1.669 166 M HN 0.548 nan 8.290 nan 0.000 0.864 167 G N 0.080 108.896 108.800 0.027 0.000 2.587 167 G HA2 -0.214 3.747 3.960 0.001 0.000 0.217 167 G HA3 -0.214 3.747 3.960 0.001 0.000 0.217 167 G C 1.114 176.033 174.900 0.031 0.000 1.240 167 G CA 1.271 46.388 45.100 0.028 0.000 0.794 167 G HN 0.424 nan 8.290 nan 0.000 0.580 168 V N 0.882 120.815 119.914 0.033 0.000 2.282 168 V HA -0.225 3.896 4.120 0.001 0.000 0.249 168 V C 3.161 179.278 176.094 0.039 0.000 1.057 168 V CA 2.399 64.721 62.300 0.036 0.000 1.032 168 V CB -0.817 31.029 31.823 0.038 0.000 0.645 168 V HN 0.385 nan 8.190 nan 0.000 0.447 169 S N -0.722 115.006 115.700 0.046 0.000 2.370 169 S HA -0.241 4.230 4.470 0.001 0.000 0.226 169 S C 2.109 176.730 174.600 0.033 0.000 1.033 169 S CA 1.797 60.026 58.200 0.047 0.000 1.011 169 S CB -0.320 62.915 63.200 0.059 0.000 0.852 169 S HN 0.551 nan 8.310 nan 0.000 0.457 170 R N 0.555 121.074 120.500 0.032 0.000 2.075 170 R HA 0.102 4.443 4.340 0.001 0.000 0.232 170 R C 2.204 178.522 176.300 0.029 0.000 1.126 170 R CA 0.904 57.021 56.100 0.029 0.000 0.963 170 R CB -0.420 29.897 30.300 0.029 0.000 0.858 170 R HN 0.332 nan 8.270 nan 0.000 0.435 171 L N 0.182 121.422 121.223 0.029 0.000 2.127 171 L HA -0.174 4.167 4.340 0.001 0.000 0.211 171 L C 2.218 179.104 176.870 0.026 0.000 1.089 171 L CA 0.789 55.646 54.840 0.028 0.000 0.757 171 L CB -0.288 41.788 42.059 0.029 0.000 0.899 171 L HN 0.241 nan 8.230 nan 0.000 0.434 172 M N -0.729 118.886 119.600 0.024 0.000 2.435 172 M HA -0.200 4.281 4.480 0.001 0.000 0.262 172 M C 1.441 177.753 176.300 0.020 0.000 1.065 172 M CA 1.279 56.591 55.300 0.019 0.000 1.076 172 M CB -1.034 31.573 32.600 0.012 0.000 1.403 172 M HN 0.221 nan 8.290 nan 0.000 0.454 173 D N 0.402 120.817 120.400 0.025 0.000 2.219 173 D HA -0.067 4.574 4.640 0.001 0.000 0.205 173 D C 2.142 178.464 176.300 0.037 0.000 0.970 173 D CA 0.800 54.819 54.000 0.031 0.000 0.851 173 D CB -0.194 40.628 40.800 0.038 0.000 0.943 173 D HN 0.367 nan 8.370 nan 0.000 0.488 174 L N 0.166 121.408 121.223 0.033 0.000 2.131 174 L HA -0.124 4.217 4.340 0.001 0.000 0.210 174 L C 2.343 179.231 176.870 0.030 0.000 1.092 174 L CA 0.474 55.333 54.840 0.031 0.000 0.759 174 L CB -0.300 41.775 42.059 0.027 0.000 0.903 174 L HN 0.046 nan 8.230 nan 0.000 0.435 175 L N -0.291 120.949 121.223 0.027 0.000 2.353 175 L HA -0.152 4.189 4.340 0.001 0.000 0.220 175 L C 2.295 179.182 176.870 0.028 0.000 1.133 175 L CA 0.748 55.603 54.840 0.025 0.000 0.798 175 L CB -0.374 41.698 42.059 0.022 0.000 0.922 175 L HN 0.243 nan 8.230 nan 0.000 0.445 176 A N -2.036 120.804 122.820 0.034 0.000 2.308 176 A HA 0.007 4.327 4.320 0.001 0.000 0.217 176 A C 0.536 178.153 177.584 0.056 0.000 1.216 176 A CA -0.241 51.819 52.037 0.039 0.000 0.864 176 A CB -0.167 18.856 19.000 0.038 0.000 0.902 176 A HN 0.166 nan 8.150 nan 0.000 0.499 177 D N 0.724 121.156 120.400 0.055 0.000 2.348 177 D HA 0.130 4.771 4.640 0.001 0.000 0.253 177 D C 1.308 177.636 176.300 0.047 0.000 1.161 177 D CA 0.746 54.786 54.000 0.066 0.000 0.876 177 D CB 1.232 42.050 40.800 0.031 0.000 1.160 177 D HN 0.257 nan 8.370 nan 0.000 0.459 178 S N 3.517 119.258 115.700 0.068 0.000 2.522 178 S HA 0.007 4.478 4.470 0.001 0.000 0.227 178 S C 0.879 175.484 174.600 0.009 0.000 0.986 178 S CA 0.001 58.227 58.200 0.043 0.000 0.929 178 S CB 0.145 63.383 63.200 0.063 0.000 0.769 178 S HN 0.372 nan 8.310 nan 0.000 0.529 179 R N 1.922 122.417 120.500 -0.009 0.000 2.248 179 R HA 0.287 4.628 4.340 0.001 0.000 0.337 179 R C 0.819 177.087 176.300 -0.053 0.000 1.085 179 R CA -0.123 55.945 56.100 -0.054 0.000 0.934 179 R CB 0.415 30.673 30.300 -0.071 0.000 1.034 179 R HN 0.445 nan 8.270 nan 0.000 0.465 180 E N 1.407 121.568 120.200 -0.065 0.000 2.065 180 E HA -0.280 4.070 4.350 0.001 0.000 0.201 180 E C 1.688 178.250 176.600 -0.064 0.000 1.016 180 E CA 1.779 58.145 56.400 -0.055 0.000 0.818 180 E CB 0.003 29.666 29.700 -0.062 0.000 0.749 180 E HN 0.388 nan 8.360 nan 0.000 0.453 181 V N 1.543 121.388 119.914 -0.115 0.000 2.278 181 V HA -0.311 3.810 4.120 0.001 0.000 0.251 181 V C 2.296 178.325 176.094 -0.108 0.000 1.062 181 V CA 1.913 64.116 62.300 -0.162 0.000 1.038 181 V CB -0.493 31.107 31.823 -0.372 0.000 0.646 181 V HN 0.296 nan 8.190 nan 0.000 0.447 182 I N -0.753 119.766 120.570 -0.084 0.000 2.252 182 I HA -0.218 3.953 4.170 0.001 0.000 0.245 182 I C 2.773 178.898 176.117 0.015 0.000 1.102 182 I CA 1.635 62.922 61.300 -0.022 0.000 1.385 182 I CB -0.472 37.509 38.000 -0.030 0.000 1.064 182 I HN 0.250 nan 8.210 nan 0.000 0.414 183 R N 1.205 121.706 120.500 0.002 0.000 2.066 183 R HA -0.170 4.171 4.340 0.001 0.000 0.232 183 R C 2.103 178.416 176.300 0.022 0.000 1.131 183 R CA 1.758 57.866 56.100 0.014 0.000 0.955 183 R CB -0.189 30.116 30.300 0.009 0.000 0.851 183 R HN 0.330 nan 8.270 nan 0.000 0.432 184 N N 1.281 119.991 118.700 0.017 0.000 2.043 184 N HA -0.167 4.574 4.740 0.001 0.000 0.193 184 N C 1.256 176.795 175.510 0.048 0.000 1.037 184 N CA 1.700 54.765 53.050 0.025 0.000 0.851 184 N CB -0.605 37.892 38.487 0.017 0.000 1.027 184 N HN 0.263 nan 8.380 nan 0.000 0.422 185 D N -0.396 120.050 120.400 0.076 0.000 2.264 185 D HA -0.013 4.628 4.640 0.001 0.000 0.208 185 D C 1.844 178.189 176.300 0.075 0.000 0.966 185 D CA 0.737 54.801 54.000 0.106 0.000 0.864 185 D CB -0.541 40.386 40.800 0.211 0.000 0.933 185 D HN 0.355 nan 8.370 nan 0.000 0.499 186 G N 0.454 109.290 108.800 0.059 0.000 2.408 186 G HA2 -0.165 3.796 3.960 0.001 0.000 0.217 186 G HA3 -0.165 3.796 3.960 0.001 0.000 0.217 186 G C 1.825 176.747 174.900 0.037 0.000 1.150 186 G CA 0.433 45.559 45.100 0.043 0.000 0.776 186 G HN 0.225 nan 8.290 nan 0.000 0.542 187 V N 1.135 121.070 119.914 0.035 0.000 2.295 187 V HA -0.164 3.957 4.120 0.001 0.000 0.246 187 V C 2.912 179.026 176.094 0.033 0.000 1.049 187 V CA 1.499 63.818 62.300 0.032 0.000 1.024 187 V CB -0.516 31.324 31.823 0.027 0.000 0.648 187 V HN 0.347 nan 8.190 nan 0.000 0.447 188 L N -0.602 120.643 121.223 0.038 0.000 2.042 188 L HA -0.222 4.119 4.340 0.001 0.000 0.210 188 L C 2.456 179.348 176.870 0.036 0.000 1.076 188 L CA 1.667 56.529 54.840 0.038 0.000 0.749 188 L CB -0.562 41.525 42.059 0.046 0.000 0.893 188 L HN 0.351 nan 8.230 nan 0.000 0.432 189 L N -0.386 120.859 121.223 0.037 0.000 2.083 189 L HA -0.221 4.120 4.340 0.001 0.000 0.209 189 L C 2.417 179.306 176.870 0.031 0.000 1.083 189 L CA 1.296 56.156 54.840 0.033 0.000 0.752 189 L CB -0.036 42.041 42.059 0.030 0.000 0.899 189 L HN 0.210 nan 8.230 nan 0.000 0.433 190 L N -0.770 120.472 121.223 0.031 0.000 2.156 190 L HA -0.178 4.163 4.340 0.001 0.000 0.208 190 L C 2.655 179.544 176.870 0.031 0.000 1.095 190 L CA 0.947 55.805 54.840 0.030 0.000 0.770 190 L CB -0.452 41.624 42.059 0.029 0.000 0.914 190 L HN 0.384 nan 8.230 nan 0.000 0.439 191 Q N -0.073 119.746 119.800 0.031 0.000 2.061 191 Q HA -0.216 4.124 4.340 0.001 0.000 0.204 191 Q C 2.383 178.400 176.000 0.029 0.000 0.984 191 Q CA 1.842 57.663 55.803 0.030 0.000 0.846 191 Q CB -0.268 28.487 28.738 0.028 0.000 0.902 191 Q HN 0.562 nan 8.270 nan 0.000 0.421 192 A N 0.347 123.184 122.820 0.029 0.000 2.016 192 A HA -0.083 4.238 4.320 0.001 0.000 0.217 192 A C 1.961 179.562 177.584 0.028 0.000 1.162 192 A CA 0.603 52.656 52.037 0.027 0.000 0.662 192 A CB -0.290 18.727 19.000 0.028 0.000 0.812 192 A HN 0.307 nan 8.150 nan 0.000 0.450 193 L N 0.260 121.500 121.223 0.030 0.000 2.072 193 L HA -0.061 4.280 4.340 0.001 0.000 0.205 193 L C 2.450 179.338 176.870 0.030 0.000 1.079 193 L CA 2.574 57.432 54.840 0.030 0.000 0.752 193 L CB -0.459 41.618 42.059 0.031 0.000 0.906 193 L HN 0.471 nan 8.230 nan 0.000 0.436 194 T N -3.118 111.454 114.554 0.031 0.000 3.100 194 T HA 0.031 4.382 4.350 0.001 0.000 0.253 194 T C 1.173 175.892 174.700 0.032 0.000 1.118 194 T CA -0.346 61.773 62.100 0.033 0.000 1.058 194 T CB -0.444 68.446 68.868 0.037 0.000 0.953 194 T HN 0.211 nan 8.240 nan 0.000 0.515 195 R N 1.756 122.273 120.500 0.028 0.000 2.458 195 R HA 0.197 4.538 4.340 0.001 0.000 0.303 195 R C -0.108 176.206 176.300 0.023 0.000 1.013 195 R CA 0.525 56.639 56.100 0.025 0.000 1.026 195 R CB -0.399 29.913 30.300 0.021 0.000 0.948 195 R HN 0.263 nan 8.270 nan 0.000 0.417 196 S N 2.382 118.096 115.700 0.023 0.000 3.586 196 S HA -0.176 4.295 4.470 0.001 0.000 0.309 196 S C -0.627 173.986 174.600 0.022 0.000 1.195 196 S CA 1.170 59.382 58.200 0.020 0.000 0.895 196 S CB -1.225 61.985 63.200 0.016 0.000 0.983 196 S HN 0.869 nan 8.310 nan 0.000 0.563 197 N N -0.287 118.429 118.700 0.026 0.000 2.581 197 N HA 0.407 5.148 4.740 0.001 0.000 0.279 197 N C 0.760 176.287 175.510 0.029 0.000 1.124 197 N CA 0.419 53.484 53.050 0.025 0.000 0.833 197 N CB 1.186 39.687 38.487 0.024 0.000 1.338 197 N HN 0.213 nan 8.380 nan 0.000 0.533 198 G N 1.785 110.602 108.800 0.028 0.000 2.421 198 G HA2 -0.106 3.855 3.960 0.001 0.000 0.217 198 G HA3 -0.106 3.855 3.960 0.001 0.000 0.217 198 G C 1.307 176.226 174.900 0.031 0.000 1.143 198 G CA 1.006 46.126 45.100 0.034 0.000 0.784 198 G HN 0.607 nan 8.290 nan 0.000 0.541 199 A N 0.932 123.765 122.820 0.022 0.000 1.877 199 A HA 0.027 4.348 4.320 0.001 0.000 0.216 199 A C 2.262 179.858 177.584 0.019 0.000 1.186 199 A CA 1.481 53.526 52.037 0.014 0.000 0.620 199 A CB -0.342 18.662 19.000 0.008 0.000 0.822 199 A HN 0.263 nan 8.150 nan 0.000 0.443 200 I N -0.002 120.582 120.570 0.025 0.000 2.394 200 I HA -0.218 3.952 4.170 0.001 0.000 0.251 200 I C 2.532 178.670 176.117 0.035 0.000 1.136 200 I CA 1.329 62.646 61.300 0.029 0.000 1.425 200 I CB -0.736 37.282 38.000 0.029 0.000 1.079 200 I HN 0.390 nan 8.210 nan 0.000 0.425 201 Q N 0.122 119.946 119.800 0.040 0.000 2.124 201 Q HA -0.242 4.099 4.340 0.001 0.000 0.202 201 Q C 2.280 178.314 176.000 0.057 0.000 0.977 201 Q CA 1.548 57.381 55.803 0.050 0.000 0.850 201 Q CB -0.161 28.615 28.738 0.063 0.000 0.901 201 Q HN 0.465 nan 8.270 nan 0.000 0.429 202 K N 0.839 121.273 120.400 0.056 0.000 2.057 202 K HA -0.136 4.185 4.320 0.001 0.000 0.206 202 K C 1.906 178.547 176.600 0.067 0.000 1.050 202 K CA 1.006 57.328 56.287 0.059 0.000 0.935 202 K CB -0.057 32.457 32.500 0.024 0.000 0.715 202 K HN 0.136 nan 8.250 nan 0.000 0.439 203 I N 1.116 121.721 120.570 0.058 0.000 2.127 203 I HA -0.281 3.889 4.170 0.001 0.000 0.241 203 I C 2.254 178.443 176.117 0.120 0.000 1.075 203 I CA 1.084 62.448 61.300 0.107 0.000 1.334 203 I CB -0.209 37.834 38.000 0.072 0.000 1.040 203 I HN -0.013 nan 8.210 nan 0.000 0.405 204 V N 0.984 120.932 119.914 0.056 0.000 2.490 204 V HA -0.284 3.837 4.120 0.001 0.000 0.250 204 V C 2.610 178.678 176.094 -0.043 0.000 1.061 204 V CA 1.886 64.194 62.300 0.013 0.000 1.064 204 V CB -1.042 30.782 31.823 0.003 0.000 0.670 204 V HN 0.501 nan 8.190 nan 0.000 0.461 205 A N -0.488 122.301 122.820 -0.051 0.000 1.872 205 A HA -0.175 4.146 4.320 0.001 0.000 0.214 205 A C 2.127 179.758 177.584 0.080 0.000 1.187 205 A CA 1.663 53.602 52.037 -0.164 0.000 0.614 205 A CB -0.686 18.276 19.000 -0.064 0.000 0.826 205 A HN 0.527 nan 8.150 nan 0.000 0.442 206 F N 1.024 120.953 119.950 -0.036 0.000 2.161 206 F HA -0.140 4.387 4.527 0.001 0.000 0.300 206 F C 1.378 177.168 175.800 -0.017 0.000 1.089 206 F CA 1.577 59.540 58.000 -0.062 0.000 1.282 206 F CB 0.131 39.084 39.000 -0.078 0.000 1.010 206 F HN 0.159 nan 8.300 nan 0.000 0.485 207 E N 1.414 121.563 120.200 -0.085 0.000 2.352 207 E HA -0.123 4.228 4.350 0.001 0.000 0.197 207 E C 0.138 176.677 176.600 -0.102 0.000 1.224 207 E CA 0.296 56.608 56.400 -0.146 0.000 1.118 207 E CB -1.063 28.616 29.700 -0.035 0.000 1.198 207 E HN 0.471 nan 8.360 nan 0.000 0.454 208 N N -0.482 118.171 118.700 -0.078 0.000 2.741 208 N HA -0.282 4.459 4.740 0.001 0.000 0.251 208 N C 0.791 176.272 175.510 -0.048 0.000 1.112 208 N CA 0.791 53.831 53.050 -0.017 0.000 0.750 208 N CB -1.127 37.351 38.487 -0.016 0.000 1.119 208 N HN 0.311 nan 8.380 nan 0.000 0.561 209 A N -0.611 122.137 122.820 -0.119 0.000 1.917 209 A HA -0.118 4.202 4.320 0.001 0.000 0.219 209 A C 1.771 179.311 177.584 -0.072 0.000 1.182 209 A CA 1.758 53.723 52.037 -0.120 0.000 0.633 209 A CB -0.641 18.255 19.000 -0.175 0.000 0.819 209 A HN 0.329 nan 8.150 nan 0.000 0.448 210 F N -0.121 119.757 119.950 -0.120 0.000 2.075 210 F HA -0.091 4.435 4.527 -0.003 0.000 0.297 210 F C 2.347 177.928 175.800 -0.365 0.000 1.113 210 F CA 1.400 59.204 58.000 -0.326 0.000 1.218 210 F CB -1.243 37.257 39.000 -0.833 0.000 0.984 210 F HN 0.419 nan 8.300 nan 0.000 0.472 211 E N 0.648 120.768 120.200 -0.133 0.000 2.049 211 E HA -0.240 4.111 4.350 0.001 0.000 0.198 211 E C 2.298 178.918 176.600 0.034 0.000 1.007 211 E CA 1.853 58.254 56.400 0.002 0.000 0.809 211 E CB -0.212 29.558 29.700 0.116 0.000 0.749 211 E HN 0.269 nan 8.360 nan 0.000 0.450 212 R N -0.224 120.294 120.500 0.030 0.000 2.094 212 R HA -0.134 4.207 4.340 0.001 0.000 0.239 212 R C 2.664 178.994 176.300 0.050 0.000 1.137 212 R CA 1.946 58.066 56.100 0.035 0.000 0.943 212 R CB -0.596 29.717 30.300 0.022 0.000 0.850 212 R HN 0.274 nan 8.270 nan 0.000 0.433 213 L N 0.402 121.664 121.223 0.065 0.000 2.109 213 L HA -0.122 4.219 4.340 0.001 0.000 0.207 213 L C 2.326 179.267 176.870 0.119 0.000 1.086 213 L CA 0.844 55.737 54.840 0.088 0.000 0.760 213 L CB -0.322 41.805 42.059 0.114 0.000 0.910 213 L HN 0.199 nan 8.230 nan 0.000 0.437 214 L N -0.426 120.876 121.223 0.131 0.000 2.141 214 L HA -0.201 4.140 4.340 0.001 0.000 0.209 214 L C 2.056 179.006 176.870 0.133 0.000 1.094 214 L CA 0.883 55.826 54.840 0.172 0.000 0.763 214 L CB -0.502 41.624 42.059 0.112 0.000 0.908 214 L HN 0.280 nan 8.230 nan 0.000 0.437 215 D N 0.167 120.620 120.400 0.088 0.000 2.123 215 D HA -0.102 4.538 4.640 0.001 0.000 0.200 215 D C 2.290 178.625 176.300 0.059 0.000 0.976 215 D CA 1.043 55.083 54.000 0.067 0.000 0.831 215 D CB -0.042 40.788 40.800 0.050 0.000 0.974 215 D HN 0.237 nan 8.370 nan 0.000 0.469 216 I N 0.707 121.309 120.570 0.054 0.000 2.151 216 I HA -0.281 3.890 4.170 0.001 0.000 0.243 216 I C 2.302 178.442 176.117 0.037 0.000 1.080 216 I CA 0.917 62.239 61.300 0.037 0.000 1.339 216 I CB -0.176 37.842 38.000 0.031 0.000 1.039 216 I HN -0.041 nan 8.210 nan 0.000 0.409 217 I N 0.118 120.726 120.570 0.063 0.000 2.163 217 I HA -0.310 3.861 4.170 0.001 0.000 0.243 217 I C 2.532 178.693 176.117 0.074 0.000 1.085 217 I CA 1.760 63.091 61.300 0.052 0.000 1.347 217 I CB -0.558 37.496 38.000 0.090 0.000 1.044 217 I HN 0.235 nan 8.210 nan 0.000 0.408 218 T N -0.172 114.452 114.554 0.117 0.000 2.720 218 T HA -0.211 4.140 4.350 0.001 0.000 0.268 218 T C 1.765 176.491 174.700 0.043 0.000 1.037 218 T CA 1.502 63.658 62.100 0.093 0.000 1.144 218 T CB -0.301 68.615 68.868 0.079 0.000 0.864 218 T HN 0.403 nan 8.240 nan 0.000 0.444 219 E N 0.667 120.887 120.200 0.032 0.000 2.051 219 E HA -0.121 4.230 4.350 0.001 0.000 0.192 219 E C 2.140 178.741 176.600 0.001 0.000 0.991 219 E CA 0.910 57.318 56.400 0.014 0.000 0.799 219 E CB 0.017 29.725 29.700 0.013 0.000 0.748 219 E HN 0.422 nan 8.360 nan 0.000 0.449 220 E N -0.532 119.665 120.200 -0.004 0.000 2.511 220 E HA 0.025 4.376 4.350 0.001 0.000 0.196 220 E C 0.734 177.315 176.600 -0.032 0.000 1.066 220 E CA 0.668 57.056 56.400 -0.021 0.000 0.871 220 E CB 0.563 30.246 29.700 -0.028 0.000 0.863 220 E HN 0.356 nan 8.360 nan 0.000 0.520 221 G N 2.002 110.788 108.800 -0.023 0.000 2.255 221 G HA2 -0.322 3.638 3.960 0.001 0.000 0.239 221 G HA3 -0.322 3.638 3.960 0.001 0.000 0.239 221 G C 0.121 174.986 174.900 -0.058 0.000 1.083 221 G CA 0.304 45.385 45.100 -0.033 0.000 0.826 221 G HN 0.396 nan 8.290 nan 0.000 0.493 222 N N -1.207 117.462 118.700 -0.052 0.000 1.191 222 N HA -0.343 4.398 4.740 0.001 0.000 0.120 222 N C 1.825 177.200 175.510 -0.225 0.000 0.826 222 N CA 2.857 55.832 53.050 -0.125 0.000 0.876 222 N CB -1.313 37.157 38.487 -0.027 0.000 1.050 222 N HN 1.323 nan 8.380 nan 0.000 0.603 223 S N -0.163 115.382 115.700 -0.258 0.000 2.442 223 S HA -0.099 4.372 4.470 0.001 0.000 0.236 223 S C 0.744 175.234 174.600 -0.184 0.000 1.007 223 S CA 1.684 59.734 58.200 -0.250 0.000 0.965 223 S CB -0.082 62.969 63.200 -0.248 0.000 0.773 223 S HN 0.448 nan 8.310 nan 0.000 0.504 224 D N 1.500 121.801 120.400 -0.164 0.000 2.328 224 D HA 0.138 4.779 4.640 0.001 0.000 0.226 224 D C 1.227 177.471 176.300 -0.094 0.000 1.066 224 D CA 0.496 54.419 54.000 -0.128 0.000 0.861 224 D CB -0.134 40.590 40.800 -0.127 0.000 0.912 224 D HN 0.604 nan 8.370 nan 0.000 0.521 225 G N 0.225 108.966 108.800 -0.099 0.000 3.440 225 G HA2 0.391 4.351 3.960 0.001 0.000 0.263 225 G HA3 0.391 4.351 3.960 0.001 0.000 0.263 225 G C 1.007 175.868 174.900 -0.065 0.000 1.236 225 G CA 0.170 45.224 45.100 -0.076 0.000 0.927 225 G HN 0.368 nan 8.290 nan 0.000 0.530 226 G N 0.308 109.072 108.800 -0.059 0.000 2.641 226 G HA2 -0.315 3.646 3.960 0.001 0.000 0.254 226 G HA3 -0.315 3.646 3.960 0.001 0.000 0.254 226 G C 1.091 175.969 174.900 -0.037 0.000 1.315 226 G CA 0.020 45.096 45.100 -0.040 0.000 0.907 226 G HN 0.341 nan 8.290 nan 0.000 0.572 227 I N 0.007 120.565 120.570 -0.021 0.000 2.361 227 I HA -0.168 4.003 4.170 0.001 0.000 0.251 227 I C 2.893 179.000 176.117 -0.017 0.000 1.133 227 I CA 1.676 62.968 61.300 -0.013 0.000 1.413 227 I CB -0.388 37.612 38.000 0.001 0.000 1.073 227 I HN 0.453 nan 8.210 nan 0.000 0.424 228 V N 0.217 120.119 119.914 -0.020 0.000 2.332 228 V HA -0.232 3.889 4.120 0.001 0.000 0.248 228 V C 2.285 178.360 176.094 -0.032 0.000 1.055 228 V CA 1.991 64.280 62.300 -0.018 0.000 1.038 228 V CB 0.037 31.850 31.823 -0.017 0.000 0.651 228 V HN 0.241 nan 8.190 nan 0.000 0.450 229 V N 0.079 119.959 119.914 -0.056 0.000 2.548 229 V HA -0.187 3.934 4.120 0.001 0.000 0.249 229 V C 2.474 178.507 176.094 -0.102 0.000 1.055 229 V CA 2.093 64.336 62.300 -0.094 0.000 1.065 229 V CB -0.568 31.171 31.823 -0.141 0.000 0.681 229 V HN 0.725 nan 8.190 nan 0.000 0.462 230 E N 0.055 120.210 120.200 -0.075 0.000 2.118 230 E HA -0.283 4.068 4.350 0.001 0.000 0.195 230 E C 1.748 178.325 176.600 -0.040 0.000 0.992 230 E CA 1.640 58.005 56.400 -0.058 0.000 0.804 230 E CB -0.016 29.666 29.700 -0.030 0.000 0.741 230 E HN 0.591 nan 8.360 nan 0.000 0.458 231 D N -0.328 120.058 120.400 -0.025 0.000 2.162 231 D HA -0.077 4.564 4.640 0.001 0.000 0.203 231 D C 2.013 178.312 176.300 -0.002 0.000 0.967 231 D CA 0.721 54.717 54.000 -0.006 0.000 0.840 231 D CB -0.203 40.600 40.800 0.006 0.000 0.972 231 D HN 0.304 nan 8.370 nan 0.000 0.482 232 C N 0.624 119.917 119.300 -0.011 0.000 2.435 232 C HA -0.014 4.447 4.460 0.001 0.000 0.279 232 C C 2.872 177.862 174.990 -0.000 0.000 1.321 232 C CA 0.105 59.126 59.018 0.005 0.000 1.752 232 C CB -1.032 26.710 27.740 0.004 0.000 1.959 232 C HN 0.325 nan 8.230 nan 0.000 0.500 233 L N 0.353 121.546 121.223 -0.049 0.000 2.072 233 L HA -0.101 4.240 4.340 0.001 0.000 0.205 233 L C 2.553 179.414 176.870 -0.016 0.000 1.079 233 L CA 1.055 55.855 54.840 -0.067 0.000 0.752 233 L CB -0.546 41.423 42.059 -0.150 0.000 0.906 233 L HN 0.208 nan 8.230 nan 0.000 0.436 234 I N -0.171 120.393 120.570 -0.010 0.000 2.163 234 I HA -0.299 3.872 4.170 0.001 0.000 0.243 234 I C 2.534 178.666 176.117 0.024 0.000 1.085 234 I CA 1.541 62.846 61.300 0.007 0.000 1.347 234 I CB -1.130 36.875 38.000 0.008 0.000 1.044 234 I HN 0.246 nan 8.210 nan 0.000 0.408 235 L N 0.561 121.804 121.223 0.032 0.000 2.046 235 L HA -0.143 4.198 4.340 0.001 0.000 0.208 235 L C 2.415 179.332 176.870 0.079 0.000 1.077 235 L CA 1.617 56.487 54.840 0.050 0.000 0.747 235 L CB -0.634 41.454 42.059 0.048 0.000 0.896 235 L HN 0.109 nan 8.230 nan 0.000 0.432 236 L N -0.849 120.430 121.223 0.094 0.000 2.042 236 L HA -0.277 4.064 4.340 0.001 0.000 0.210 236 L C 2.688 179.606 176.870 0.080 0.000 1.076 236 L CA 1.826 56.747 54.840 0.135 0.000 0.749 236 L CB -0.544 41.593 42.059 0.131 0.000 0.893 236 L HN 0.460 nan 8.230 nan 0.000 0.432 237 Q N 0.108 119.932 119.800 0.040 0.000 2.084 237 Q HA -0.232 4.109 4.340 0.001 0.000 0.202 237 Q C 1.940 177.960 176.000 0.034 0.000 0.978 237 Q CA 1.810 57.625 55.803 0.019 0.000 0.844 237 Q CB 0.076 28.822 28.738 0.012 0.000 0.898 237 Q HN 0.428 nan 8.270 nan 0.000 0.426 238 N N 0.071 118.799 118.700 0.046 0.000 2.205 238 N HA -0.142 4.599 4.740 0.001 0.000 0.186 238 N C 1.452 177.005 175.510 0.071 0.000 1.015 238 N CA 1.080 54.160 53.050 0.050 0.000 0.862 238 N CB -0.094 38.420 38.487 0.046 0.000 0.986 238 N HN 0.305 nan 8.380 nan 0.000 0.429 239 L N -0.608 120.679 121.223 0.108 0.000 2.307 239 L HA 0.099 4.440 4.340 0.001 0.000 0.211 239 L C 1.685 178.666 176.870 0.184 0.000 1.099 239 L CA 0.427 55.363 54.840 0.161 0.000 0.816 239 L CB 0.007 42.207 42.059 0.234 0.000 0.952 239 L HN 0.107 nan 8.230 nan 0.000 0.455 240 L N -0.926 120.364 121.223 0.111 0.000 2.388 240 L HA 0.066 4.407 4.340 0.001 0.000 0.209 240 L C 1.191 178.074 176.870 0.021 0.000 1.061 240 L CA 0.105 54.970 54.840 0.041 0.000 0.834 240 L CB 0.137 42.119 42.059 -0.128 0.000 1.029 240 L HN 0.027 nan 8.230 nan 0.000 0.473 241 K N 1.452 121.862 120.400 0.017 0.000 2.416 241 K HA -0.046 4.275 4.320 0.001 0.000 0.283 241 K C 0.018 176.630 176.600 0.021 0.000 1.037 241 K CA 0.065 56.357 56.287 0.008 0.000 0.995 241 K CB 0.257 32.760 32.500 0.005 0.000 0.938 241 K HN 0.129 nan 8.250 nan 0.000 0.475 242 N N 1.596 120.306 118.700 0.017 0.000 2.681 242 N HA -0.266 4.475 4.740 0.001 0.000 0.250 242 N C -1.192 174.341 175.510 0.038 0.000 1.133 242 N CA 1.013 54.076 53.050 0.023 0.000 0.732 242 N CB -1.353 37.144 38.487 0.017 0.000 1.107 242 N HN 0.653 nan 8.380 nan 0.000 0.559 243 N N 0.945 119.677 118.700 0.053 0.000 2.558 243 N HA 0.240 4.981 4.740 0.001 0.000 0.242 243 N C 0.535 176.101 175.510 0.093 0.000 0.979 243 N CA -0.391 52.705 53.050 0.076 0.000 0.931 243 N CB 0.525 39.072 38.487 0.099 0.000 1.122 243 N HN -0.004 nan 8.380 nan 0.000 0.508 244 N N 1.425 120.174 118.700 0.082 0.000 2.135 244 N HA -0.093 4.648 4.740 0.001 0.000 0.186 244 N C 1.262 176.847 175.510 0.125 0.000 1.027 244 N CA 1.016 54.119 53.050 0.088 0.000 0.849 244 N CB -0.134 38.393 38.487 0.067 0.000 1.002 244 N HN 0.408 nan 8.380 nan 0.000 0.425 245 S N 1.519 117.295 115.700 0.126 0.000 2.370 245 S HA -0.082 4.389 4.470 0.001 0.000 0.226 245 S C 1.619 176.377 174.600 0.265 0.000 1.033 245 S CA 1.049 59.344 58.200 0.160 0.000 1.011 245 S CB -0.263 63.006 63.200 0.116 0.000 0.852 245 S HN 0.352 nan 8.310 nan 0.000 0.457 246 N N 1.266 120.135 118.700 0.282 0.000 2.188 246 N HA -0.034 4.707 4.740 0.001 0.000 0.184 246 N C 1.838 177.601 175.510 0.420 0.000 1.018 246 N CA 0.839 54.157 53.050 0.447 0.000 0.858 246 N CB -0.343 38.393 38.487 0.416 0.000 0.989 246 N HN 0.508 nan 8.380 nan 0.000 0.426 247 Q N 0.268 120.213 119.800 0.241 0.000 2.050 247 Q HA -0.096 4.244 4.340 0.001 0.000 0.202 247 Q C 1.827 177.959 176.000 0.219 0.000 0.980 247 Q CA 0.964 56.861 55.803 0.157 0.000 0.840 247 Q CB -0.215 28.573 28.738 0.083 0.000 0.898 247 Q HN 0.459 nan 8.270 nan 0.000 0.424 248 N N 0.280 119.116 118.700 0.226 0.000 2.104 248 N HA -0.192 4.549 4.740 0.001 0.000 0.190 248 N C 1.748 177.454 175.510 0.326 0.000 1.024 248 N CA 1.087 54.272 53.050 0.225 0.000 0.853 248 N CB -0.109 38.487 38.487 0.183 0.000 1.008 248 N HN 0.166 nan 8.380 nan 0.000 0.424 249 F N 1.226 121.323 119.950 0.245 0.000 2.171 249 F HA -0.086 4.440 4.527 -0.002 0.000 0.300 249 F C 2.031 178.056 175.800 0.376 0.000 1.090 249 F CA 0.734 58.921 58.000 0.311 0.000 1.293 249 F CB -1.111 38.119 39.000 0.384 0.000 1.013 249 F HN -0.003 nan 8.300 nan 0.000 0.486 250 F N 1.280 121.238 119.950 0.013 0.000 2.171 250 F HA -0.158 4.374 4.527 0.008 0.000 0.300 250 F C 2.549 178.309 175.800 -0.067 0.000 1.090 250 F CA 2.271 60.108 58.000 -0.273 0.000 1.293 250 F CB -0.447 38.279 39.000 -0.456 0.000 1.013 250 F HN 0.024 nan 8.300 nan 0.000 0.486 251 K N 0.186 120.693 120.400 0.179 0.000 2.067 251 K HA -0.117 4.204 4.320 0.001 0.000 0.203 251 K C 1.974 178.579 176.600 0.008 0.000 1.048 251 K CA 1.296 57.636 56.287 0.090 0.000 0.954 251 K CB -0.280 32.295 32.500 0.125 0.000 0.737 251 K HN 0.254 nan 8.250 nan 0.000 0.444 252 E N -0.110 120.138 120.200 0.080 0.000 2.085 252 E HA -0.155 4.196 4.350 0.001 0.000 0.194 252 E C 1.592 178.183 176.600 -0.017 0.000 0.994 252 E CA 1.234 57.676 56.400 0.071 0.000 0.801 252 E CB -0.186 29.613 29.700 0.166 0.000 0.743 252 E HN 0.526 nan 8.360 nan 0.000 0.453 253 G N -0.012 108.748 108.800 -0.066 0.000 3.155 253 G HA2 -0.056 3.905 3.960 0.001 0.000 0.213 253 G HA3 -0.056 3.905 3.960 0.001 0.000 0.213 253 G C 0.353 174.781 174.900 -0.787 0.000 1.196 253 G CA 0.412 45.291 45.100 -0.368 0.000 0.846 253 G HN 0.086 nan 8.290 nan 0.000 0.516 254 S N -1.824 113.591 115.700 -0.475 0.000 3.476 254 S HA -0.243 4.228 4.470 0.001 0.000 0.309 254 S C 1.016 175.302 174.600 -0.523 0.000 1.222 254 S CA 1.079 59.029 58.200 -0.417 0.000 0.922 254 S CB -1.905 61.095 63.200 -0.333 0.000 1.023 254 S HN 0.609 nan 8.310 nan 0.000 0.591 255 Y N 0.071 120.032 120.300 -0.566 0.000 2.561 255 Y HA 0.226 4.777 4.550 0.001 0.000 0.291 255 Y C 2.066 177.600 175.900 -0.610 0.000 1.141 255 Y CA 0.175 57.787 58.100 -0.814 0.000 1.303 255 Y CB -0.390 37.091 38.460 -1.632 0.000 1.015 255 Y HN 0.447 nan 8.280 nan 0.000 0.547 256 I N 0.387 120.824 120.570 -0.222 0.000 2.226 256 I HA -0.361 3.810 4.170 0.001 0.000 0.245 256 I C 2.410 178.466 176.117 -0.102 0.000 1.100 256 I CA 1.636 62.938 61.300 0.004 0.000 1.374 256 I CB -0.442 37.595 38.000 0.061 0.000 1.057 256 I HN 0.332 nan 8.210 nan 0.000 0.413 257 Q N 0.430 120.144 119.800 -0.143 0.000 2.368 257 Q HA -0.169 4.172 4.340 0.001 0.000 0.210 257 Q C 1.794 177.670 176.000 -0.207 0.000 0.982 257 Q CA 0.865 56.577 55.803 -0.152 0.000 0.884 257 Q CB -0.370 28.286 28.738 -0.138 0.000 0.933 257 Q HN 0.388 nan 8.270 nan 0.000 0.460 258 R N 0.426 120.775 120.500 -0.252 0.000 2.280 258 R HA 0.095 4.436 4.340 0.001 0.000 0.207 258 R C 1.721 177.575 176.300 -0.743 0.000 1.043 258 R CA 0.841 56.737 56.100 -0.341 0.000 1.006 258 R CB -0.239 29.927 30.300 -0.225 0.000 0.885 258 R HN 0.513 nan 8.270 nan 0.000 0.467 259 M N -0.205 118.945 119.600 -0.750 0.000 2.334 259 M HA 0.001 4.481 4.480 0.001 0.000 0.266 259 M C 2.186 178.178 176.300 -0.513 0.000 1.082 259 M CA 1.004 55.631 55.300 -1.122 0.000 1.141 259 M CB -0.159 32.173 32.600 -0.446 0.000 1.380 259 M HN -0.086 nan 8.290 nan 0.000 0.440 260 K N 1.247 121.511 120.400 -0.227 0.000 2.044 260 K HA -0.174 4.147 4.320 0.001 0.000 0.210 260 K C -0.944 175.637 176.600 -0.031 0.000 1.049 260 K CA 1.744 58.015 56.287 -0.026 0.000 0.927 260 K CB -1.007 31.464 32.500 -0.049 0.000 0.713 260 K HN 0.124 nan 8.250 nan 0.000 0.443 261 P HA -0.159 nan 4.420 nan 0.000 0.218 261 P C 0.569 177.873 177.300 0.008 0.000 1.148 261 P CA 1.036 64.105 63.100 -0.052 0.000 0.822 261 P CB -0.236 31.428 31.700 -0.059 0.000 0.784 262 W N -1.411 119.734 121.300 -0.258 0.000 2.387 262 W HA -0.039 4.620 4.660 -0.002 0.000 0.272 262 W C 1.238 177.360 176.519 -0.662 0.000 1.224 262 W CA 0.811 57.840 57.345 -0.526 0.000 1.210 262 W CB -1.608 27.347 29.460 -0.842 0.000 1.125 262 W HN 0.019 nan 8.180 nan 0.000 0.572 263 F N -0.442 119.639 119.950 0.219 0.000 2.653 263 F HA 0.178 4.705 4.527 -0.000 0.000 0.304 263 F C 0.573 176.426 175.800 0.088 0.000 1.092 263 F CA -0.605 57.481 58.000 0.144 0.000 1.279 263 F CB -0.781 38.302 39.000 0.139 0.000 1.044 263 F HN -0.259 nan 8.300 nan 0.000 0.564 264 E N 1.903 122.194 120.200 0.150 0.000 1.858 264 E HA 0.142 4.493 4.350 0.001 0.000 0.278 264 E C -0.393 176.236 176.600 0.049 0.000 1.172 264 E CA -0.225 56.228 56.400 0.088 0.000 1.127 264 E CB 0.122 29.847 29.700 0.042 0.000 1.084 264 E HN 0.109 nan 8.360 nan 0.000 0.455 265 V N 0.504 120.467 119.914 0.081 0.000 2.277 265 V HA 0.526 4.647 4.120 0.001 0.000 0.269 265 V C 0.868 176.991 176.094 0.047 0.000 1.036 265 V CA -1.065 61.232 62.300 -0.004 0.000 0.821 265 V CB 0.870 32.688 31.823 -0.009 0.000 1.052 265 V HN 0.394 nan 8.190 nan 0.000 0.462 266 G N 2.405 111.204 108.800 -0.002 0.000 2.664 266 G HA2 0.179 4.140 3.960 0.001 0.000 0.242 266 G HA3 0.179 4.140 3.960 0.001 0.000 0.242 266 G C -0.227 174.719 174.900 0.077 0.000 1.225 266 G CA -0.183 44.937 45.100 0.033 0.000 0.849 266 G HN 0.794 nan 8.290 nan 0.000 0.581 267 D N 0.822 121.267 120.400 0.076 0.000 2.483 267 D HA 0.270 4.911 4.640 0.001 0.000 0.220 267 D C 0.694 177.044 176.300 0.084 0.000 1.173 267 D CA 0.163 54.219 54.000 0.094 0.000 0.964 267 D CB -0.348 40.496 40.800 0.073 0.000 1.046 267 D HN 0.718 nan 8.370 nan 0.000 0.517 268 E N 1.158 121.427 120.200 0.115 0.000 5.873 268 E HA -0.107 4.244 4.350 0.001 0.000 0.541 268 E C -1.013 175.658 176.600 0.118 0.000 2.085 268 E CA -0.796 55.672 56.400 0.114 0.000 2.980 268 E CB -0.808 28.937 29.700 0.074 0.000 0.822 268 E HN 0.125 nan 8.360 nan 0.000 0.302 269 N N 1.136 119.891 118.700 0.093 0.000 2.210 269 N HA -0.079 4.662 4.740 0.001 0.000 0.285 269 N C 0.415 176.015 175.510 0.150 0.000 1.277 269 N CA 1.329 54.440 53.050 0.102 0.000 1.131 269 N CB -0.236 38.290 38.487 0.065 0.000 1.495 269 N HN 0.633 nan 8.380 nan 0.000 0.483 270 S N 2.199 118.052 115.700 0.255 0.000 4.046 270 S HA -0.341 4.130 4.470 0.001 0.000 0.572 270 S C 1.087 175.930 174.600 0.405 0.000 2.022 270 S CA 1.817 60.254 58.200 0.396 0.000 4.201 270 S CB -1.359 61.914 63.200 0.122 0.000 0.438 270 S HN 1.240 nan 8.310 nan 0.000 0.618 271 G N -0.126 108.841 108.800 0.279 0.000 2.323 271 G HA2 -0.273 3.688 3.960 0.001 0.000 0.292 271 G HA3 -0.273 3.688 3.960 0.001 0.000 0.292 271 G C -0.227 174.848 174.900 0.292 0.000 1.040 271 G CA 0.804 46.031 45.100 0.211 0.000 0.942 271 G HN 0.676 nan 8.290 nan 0.000 0.506 272 W N 1.086 122.388 121.300 0.003 0.000 2.238 272 W HA 0.562 5.222 4.660 -0.000 0.000 0.321 272 W C 1.211 177.729 176.519 -0.001 0.000 1.293 272 W CA -0.592 56.752 57.345 -0.002 0.000 1.204 272 W CB 0.475 29.931 29.460 -0.005 0.000 1.167 272 W HN 0.595 nan 8.180 nan 0.000 0.553 273 S N 1.345 117.158 115.700 0.188 0.000 2.614 273 S HA 0.529 5.000 4.470 0.001 0.000 0.265 273 S C 1.150 175.826 174.600 0.127 0.000 1.303 273 S CA -0.214 58.056 58.200 0.116 0.000 1.000 273 S CB 1.366 64.599 63.200 0.055 0.000 0.935 273 S HN 0.632 nan 8.310 nan 0.000 0.551 274 A N 0.853 123.727 122.820 0.091 0.000 1.883 274 A HA -0.157 4.164 4.320 0.001 0.000 0.217 274 A C 2.222 179.855 177.584 0.082 0.000 1.186 274 A CA 2.040 54.129 52.037 0.086 0.000 0.624 274 A CB -1.300 17.737 19.000 0.061 0.000 0.822 274 A HN 0.833 nan 8.150 nan 0.000 0.444 275 Q N -0.146 119.687 119.800 0.055 0.000 2.224 275 Q HA -0.101 4.240 4.340 0.001 0.000 0.203 275 Q C 1.944 177.959 176.000 0.025 0.000 0.970 275 Q CA 2.002 57.825 55.803 0.033 0.000 0.865 275 Q CB -0.282 28.463 28.738 0.011 0.000 0.922 275 Q HN 0.720 nan 8.270 nan 0.000 0.445 276 K N -1.153 119.270 120.400 0.039 0.000 2.103 276 K HA -0.039 4.282 4.320 0.001 0.000 0.204 276 K C 1.735 178.386 176.600 0.085 0.000 1.052 276 K CA 1.016 57.310 56.287 0.013 0.000 0.945 276 K CB 0.105 32.590 32.500 -0.025 0.000 0.722 276 K HN 0.109 nan 8.250 nan 0.000 0.443 277 V N 1.017 121.030 119.914 0.164 0.000 2.379 277 V HA -0.210 3.910 4.120 0.001 0.000 0.245 277 V C 2.062 178.227 176.094 0.118 0.000 1.044 277 V CA 2.123 64.513 62.300 0.150 0.000 1.036 277 V CB -0.377 31.540 31.823 0.155 0.000 0.664 277 V HN 0.469 nan 8.190 nan 0.000 0.453 278 T N 0.776 115.427 114.554 0.162 0.000 2.597 278 T HA -0.248 4.103 4.350 0.001 0.000 0.267 278 T C 1.780 176.536 174.700 0.093 0.000 1.053 278 T CA 2.112 64.309 62.100 0.161 0.000 1.165 278 T CB -0.462 68.457 68.868 0.085 0.000 0.863 278 T HN 0.438 nan 8.240 nan 0.000 0.427 279 N N 0.973 119.681 118.700 0.012 0.000 2.104 279 N HA -0.035 4.706 4.740 0.001 0.000 0.190 279 N C 1.620 177.079 175.510 -0.084 0.000 1.024 279 N CA 0.619 53.625 53.050 -0.074 0.000 0.853 279 N CB -0.658 37.748 38.487 -0.135 0.000 1.008 279 N HN 0.138 nan 8.380 nan 0.000 0.424 280 L N 0.947 122.151 121.223 -0.031 0.000 2.093 280 L HA -0.097 4.244 4.340 0.001 0.000 0.208 280 L C 2.053 178.982 176.870 0.098 0.000 1.085 280 L CA 1.564 56.420 54.840 0.027 0.000 0.755 280 L CB -1.068 41.056 42.059 0.109 0.000 0.904 280 L HN 0.312 nan 8.230 nan 0.000 0.435 281 H N -0.675 118.461 119.070 0.110 0.000 2.319 281 H HA -0.114 4.443 4.556 0.002 0.000 0.299 281 H C 2.301 177.670 175.328 0.068 0.000 1.092 281 H CA 1.687 57.788 56.048 0.089 0.000 1.302 281 H CB -0.180 29.616 29.762 0.055 0.000 1.373 281 H HN 0.272 nan 8.280 nan 0.000 0.497 282 L N -0.265 121.050 121.223 0.153 0.000 2.141 282 L HA -0.150 4.191 4.340 0.001 0.000 0.209 282 L C 2.619 179.520 176.870 0.050 0.000 1.094 282 L CA 0.680 55.559 54.840 0.064 0.000 0.763 282 L CB -0.289 41.767 42.059 -0.005 0.000 0.908 282 L HN 0.211 nan 8.230 nan 0.000 0.437 283 M N -0.718 118.904 119.600 0.037 0.000 2.175 283 M HA -0.180 4.301 4.480 0.001 0.000 0.264 283 M C 2.209 178.788 176.300 0.466 0.000 1.063 283 M CA 1.628 57.005 55.300 0.128 0.000 1.119 283 M CB -0.183 32.371 32.600 -0.076 0.000 1.377 283 M HN 0.197 nan 8.290 nan 0.000 0.415 284 L N -0.421 121.044 121.223 0.404 0.000 2.093 284 L HA -0.222 4.119 4.340 0.001 0.000 0.208 284 L C 2.488 179.464 176.870 0.177 0.000 1.085 284 L CA 1.307 56.315 54.840 0.280 0.000 0.755 284 L CB -0.621 41.555 42.059 0.195 0.000 0.904 284 L HN 0.382 nan 8.230 nan 0.000 0.435 285 Q N -0.123 119.768 119.800 0.153 0.000 2.124 285 Q HA -0.200 4.141 4.340 0.001 0.000 0.202 285 Q C 2.374 178.418 176.000 0.075 0.000 0.977 285 Q CA 1.300 57.157 55.803 0.091 0.000 0.850 285 Q CB -0.116 28.663 28.738 0.067 0.000 0.901 285 Q HN 0.522 nan 8.270 nan 0.000 0.429 286 L N -0.220 121.069 121.223 0.110 0.000 2.083 286 L HA -0.188 4.153 4.340 0.001 0.000 0.209 286 L C 2.313 179.215 176.870 0.054 0.000 1.083 286 L CA 0.725 55.608 54.840 0.073 0.000 0.752 286 L CB -0.455 41.688 42.059 0.141 0.000 0.899 286 L HN 0.123 nan 8.230 nan 0.000 0.433 287 V N -0.056 119.940 119.914 0.137 0.000 2.261 287 V HA -0.288 3.833 4.120 0.001 0.000 0.246 287 V C 2.600 178.710 176.094 0.026 0.000 1.047 287 V CA 1.798 64.150 62.300 0.087 0.000 1.015 287 V CB -0.627 31.247 31.823 0.085 0.000 0.642 287 V HN 0.432 nan 8.190 nan 0.000 0.446 288 R N -0.390 120.128 120.500 0.029 0.000 2.091 288 R HA -0.133 4.208 4.340 0.001 0.000 0.238 288 R C 2.245 178.544 176.300 -0.003 0.000 1.136 288 R CA 1.393 57.501 56.100 0.012 0.000 0.959 288 R CB -0.752 29.563 30.300 0.024 0.000 0.856 288 R HN 0.395 nan 8.270 nan 0.000 0.437 289 V N 1.787 121.694 119.914 -0.012 0.000 2.317 289 V HA -0.269 3.852 4.120 0.001 0.000 0.251 289 V C 2.249 178.319 176.094 -0.039 0.000 1.065 289 V CA 1.825 64.107 62.300 -0.031 0.000 1.049 289 V CB -0.393 31.395 31.823 -0.057 0.000 0.651 289 V HN 0.323 nan 8.190 nan 0.000 0.450 290 L N 0.039 121.231 121.223 -0.052 0.000 2.313 290 L HA -0.027 4.314 4.340 0.001 0.000 0.214 290 L C 1.732 178.598 176.870 -0.007 0.000 1.119 290 L CA 1.001 55.816 54.840 -0.041 0.000 0.809 290 L CB -0.190 41.839 42.059 -0.049 0.000 0.933 290 L HN 0.482 nan 8.230 nan 0.000 0.449 291 V N -5.560 114.350 119.914 -0.007 0.000 3.176 291 V HA 0.217 4.338 4.120 0.001 0.000 0.332 291 V C 0.892 176.980 176.094 -0.010 0.000 1.414 291 V CA -0.570 61.727 62.300 -0.004 0.000 1.133 291 V CB 0.172 31.990 31.823 -0.008 0.000 1.088 291 V HN 0.165 nan 8.190 nan 0.000 0.473 292 S N 2.668 118.363 115.700 -0.008 0.000 2.593 292 S HA 0.141 4.612 4.470 0.001 0.000 0.300 292 S C -0.804 173.787 174.600 -0.014 0.000 1.267 292 S CA -0.112 58.082 58.200 -0.011 0.000 1.065 292 S CB 1.042 64.235 63.200 -0.011 0.000 0.807 292 S HN 0.455 nan 8.310 nan 0.000 0.499 293 P HA -0.126 nan 4.420 nan 0.000 0.219 293 P C 1.021 178.308 177.300 -0.022 0.000 1.146 293 P CA 1.156 64.234 63.100 -0.037 0.000 0.808 293 P CB -0.125 31.533 31.700 -0.070 0.000 0.779 294 N N -1.250 117.436 118.700 -0.023 0.000 2.453 294 N HA -0.107 4.634 4.740 0.001 0.000 0.183 294 N C 0.504 176.017 175.510 0.004 0.000 1.041 294 N CA 0.683 53.726 53.050 -0.011 0.000 0.900 294 N CB -1.220 37.256 38.487 -0.017 0.000 0.961 294 N HN -0.002 nan 8.380 nan 0.000 0.443 295 N N 1.327 120.031 118.700 0.007 0.000 2.399 295 N HA 0.227 4.968 4.740 0.001 0.000 0.250 295 N C -2.471 173.054 175.510 0.024 0.000 1.272 295 N CA -1.438 51.622 53.050 0.017 0.000 0.928 295 N CB -0.162 38.336 38.487 0.019 0.000 1.158 295 N HN 0.159 nan 8.380 nan 0.000 0.463 296 P HA 0.056 nan 4.420 nan 0.000 0.265 296 P C -1.704 175.616 177.300 0.034 0.000 1.187 296 P CA -0.714 62.405 63.100 0.032 0.000 0.766 296 P CB 0.087 31.808 31.700 0.034 0.000 0.820 297 P HA -0.149 nan 4.420 nan 0.000 0.217 297 P C 1.588 178.909 177.300 0.035 0.000 1.150 297 P CA 1.715 64.839 63.100 0.040 0.000 0.832 297 P CB -0.408 31.320 31.700 0.047 0.000 0.787 298 G N 0.429 109.248 108.800 0.033 0.000 2.476 298 G HA2 -0.303 3.658 3.960 0.001 0.000 0.218 298 G HA3 -0.303 3.658 3.960 0.001 0.000 0.218 298 G C 1.697 176.619 174.900 0.036 0.000 1.164 298 G CA 1.291 46.411 45.100 0.032 0.000 0.768 298 G HN 0.362 nan 8.290 nan 0.000 0.560 299 A N 0.110 122.954 122.820 0.040 0.000 1.851 299 A HA -0.075 4.246 4.320 0.001 0.000 0.216 299 A C 2.525 180.133 177.584 0.041 0.000 1.195 299 A CA 2.687 54.752 52.037 0.047 0.000 0.622 299 A CB -1.261 17.768 19.000 0.049 0.000 0.831 299 A HN 0.301 nan 8.150 nan 0.000 0.444 300 T N -0.085 114.489 114.554 0.033 0.000 2.665 300 T HA -0.137 4.214 4.350 0.001 0.000 0.268 300 T C 2.300 177.015 174.700 0.026 0.000 1.035 300 T CA 1.802 63.917 62.100 0.025 0.000 1.151 300 T CB -0.350 68.530 68.868 0.019 0.000 0.862 300 T HN 0.470 nan 8.240 nan 0.000 0.438 301 S N 0.988 116.704 115.700 0.027 0.000 2.359 301 S HA -0.102 4.369 4.470 0.001 0.000 0.224 301 S C 2.494 177.109 174.600 0.025 0.000 1.035 301 S CA 1.297 59.511 58.200 0.023 0.000 1.018 301 S CB -0.384 62.828 63.200 0.020 0.000 0.876 301 S HN 0.449 nan 8.310 nan 0.000 0.448 302 S N 0.416 116.135 115.700 0.032 0.000 2.382 302 S HA -0.112 4.359 4.470 0.001 0.000 0.228 302 S C 2.073 176.698 174.600 0.042 0.000 1.027 302 S CA 1.058 59.280 58.200 0.036 0.000 0.991 302 S CB -0.445 62.780 63.200 0.042 0.000 0.823 302 S HN 0.614 nan 8.310 nan 0.000 0.469 303 C N 1.451 120.778 119.300 0.045 0.000 2.435 303 C HA -0.019 4.442 4.460 0.001 0.000 0.279 303 C C 2.750 177.767 174.990 0.046 0.000 1.321 303 C CA 0.258 59.306 59.018 0.050 0.000 1.752 303 C CB -1.256 26.514 27.740 0.049 0.000 1.959 303 C HN 0.610 nan 8.230 nan 0.000 0.500 304 Q N 0.784 120.607 119.800 0.037 0.000 2.079 304 Q HA -0.203 4.138 4.340 0.001 0.000 0.200 304 Q C 2.353 178.389 176.000 0.061 0.000 0.974 304 Q CA 1.361 57.187 55.803 0.038 0.000 0.840 304 Q CB -0.191 28.558 28.738 0.019 0.000 0.898 304 Q HN 0.651 nan 8.270 nan 0.000 0.430 305 K N 0.566 120.997 120.400 0.052 0.000 2.032 305 K HA -0.182 4.139 4.320 0.001 0.000 0.209 305 K C 2.058 178.718 176.600 0.100 0.000 1.048 305 K CA 1.285 57.616 56.287 0.073 0.000 0.927 305 K CB -0.186 32.342 32.500 0.046 0.000 0.712 305 K HN 0.166 nan 8.250 nan 0.000 0.441 306 A N 1.086 123.944 122.820 0.063 0.000 1.940 306 A HA -0.185 4.136 4.320 0.001 0.000 0.219 306 A C 2.122 179.729 177.584 0.038 0.000 1.176 306 A CA 1.868 53.931 52.037 0.042 0.000 0.631 306 A CB -0.483 18.535 19.000 0.031 0.000 0.814 306 A HN 0.396 nan 8.150 nan 0.000 0.446 307 M N -2.292 117.341 119.600 0.054 0.000 2.296 307 M HA -0.023 4.458 4.480 0.001 0.000 0.265 307 M C 1.982 178.307 176.300 0.042 0.000 1.064 307 M CA 1.283 56.606 55.300 0.040 0.000 1.109 307 M CB -0.242 32.385 32.600 0.047 0.000 1.396 307 M HN 0.573 nan 8.290 nan 0.000 0.430 308 F N 1.024 120.935 119.950 -0.064 0.000 2.163 308 F HA -0.146 4.381 4.527 0.000 0.000 0.297 308 F C 2.300 178.041 175.800 -0.099 0.000 1.094 308 F CA 1.561 59.497 58.000 -0.107 0.000 1.290 308 F CB -0.175 38.773 39.000 -0.087 0.000 1.017 308 F HN 0.067 nan 8.300 nan 0.000 0.483 309 Q N -0.613 119.175 119.800 -0.021 0.000 2.167 309 Q HA -0.179 4.162 4.340 0.001 0.000 0.202 309 Q C 2.292 178.198 176.000 -0.157 0.000 0.970 309 Q CA 1.658 57.406 55.803 -0.091 0.000 0.855 309 Q CB -0.356 28.393 28.738 0.019 0.000 0.911 309 Q HN 0.661 nan 8.270 nan 0.000 0.438 310 C N -2.191 117.032 119.300 -0.129 0.000 2.697 310 C HA 0.564 5.025 4.460 0.001 0.000 0.267 310 C C 1.471 176.370 174.990 -0.152 0.000 1.278 310 C CA -0.084 58.858 59.018 -0.126 0.000 1.708 310 C CB -0.675 27.009 27.740 -0.094 0.000 1.860 310 C HN 0.600 nan 8.230 nan 0.000 0.589 311 G N 0.922 109.586 108.800 -0.226 0.000 2.136 311 G HA2 -0.278 3.682 3.960 0.001 0.000 0.242 311 G HA3 -0.278 3.682 3.960 0.001 0.000 0.242 311 G C 0.391 175.205 174.900 -0.144 0.000 0.989 311 G CA 0.503 45.459 45.100 -0.240 0.000 0.682 311 G HN 0.693 nan 8.290 nan 0.000 0.522 312 L N -0.034 121.133 121.223 -0.094 0.000 2.072 312 L HA 0.278 4.619 4.340 0.001 0.000 0.205 312 L C 2.575 179.427 176.870 -0.030 0.000 1.079 312 L CA 2.577 57.401 54.840 -0.026 0.000 0.752 312 L CB -0.488 41.574 42.059 0.005 0.000 0.906 312 L HN 0.383 nan 8.230 nan 0.000 0.436 313 L N -0.374 120.828 121.223 -0.035 0.000 2.043 313 L HA -0.274 4.067 4.340 0.001 0.000 0.212 313 L C 2.410 179.293 176.870 0.022 0.000 1.075 313 L CA 1.908 56.755 54.840 0.012 0.000 0.752 313 L CB -0.883 41.218 42.059 0.070 0.000 0.891 313 L HN 0.396 nan 8.230 nan 0.000 0.432 314 Q N -1.006 118.738 119.800 -0.094 0.000 2.079 314 Q HA -0.228 4.113 4.340 0.001 0.000 0.200 314 Q C 2.299 178.331 176.000 0.053 0.000 0.974 314 Q CA 1.802 57.583 55.803 -0.037 0.000 0.840 314 Q CB -0.415 28.215 28.738 -0.180 0.000 0.898 314 Q HN 0.562 nan 8.270 nan 0.000 0.430 315 Q N 0.359 120.174 119.800 0.025 0.000 2.079 315 Q HA -0.061 4.280 4.340 0.001 0.000 0.200 315 Q C 1.765 177.812 176.000 0.080 0.000 0.974 315 Q CA 1.314 57.159 55.803 0.070 0.000 0.840 315 Q CB -0.190 28.608 28.738 0.099 0.000 0.898 315 Q HN 0.429 nan 8.270 nan 0.000 0.430 316 L N -0.892 120.344 121.223 0.021 0.000 2.083 316 L HA -0.235 4.106 4.340 0.001 0.000 0.209 316 L C 2.454 179.358 176.870 0.057 0.000 1.083 316 L CA 0.981 55.800 54.840 -0.034 0.000 0.752 316 L CB -0.512 41.473 42.059 -0.124 0.000 0.899 316 L HN 0.343 nan 8.230 nan 0.000 0.433 317 C N -0.810 118.561 119.300 0.119 0.000 2.432 317 C HA -0.123 4.338 4.460 0.001 0.000 0.280 317 C C 2.888 177.941 174.990 0.104 0.000 1.353 317 C CA 1.205 60.315 59.018 0.152 0.000 1.766 317 C CB -0.902 26.982 27.740 0.239 0.000 1.924 317 C HN 0.522 nan 8.230 nan 0.000 0.509 318 T N 1.356 115.971 114.554 0.101 0.000 2.821 318 T HA -0.033 4.318 4.350 0.001 0.000 0.267 318 T C 1.607 176.362 174.700 0.091 0.000 1.046 318 T CA 1.082 63.234 62.100 0.087 0.000 1.139 318 T CB -0.203 68.717 68.868 0.087 0.000 0.871 318 T HN 0.505 nan 8.240 nan 0.000 0.454 319 I N 1.063 121.697 120.570 0.106 0.000 2.264 319 I HA -0.145 4.026 4.170 0.001 0.000 0.248 319 I C 2.141 178.310 176.117 0.087 0.000 1.111 319 I CA 1.234 62.607 61.300 0.122 0.000 1.382 319 I CB -0.516 37.567 38.000 0.139 0.000 1.060 319 I HN 0.230 nan 8.210 nan 0.000 0.418 320 L N -0.160 121.107 121.223 0.073 0.000 2.201 320 L HA -0.173 4.167 4.340 0.001 0.000 0.212 320 L C 2.518 179.410 176.870 0.037 0.000 1.105 320 L CA 0.881 55.754 54.840 0.056 0.000 0.775 320 L CB -0.399 41.703 42.059 0.072 0.000 0.913 320 L HN 0.327 nan 8.230 nan 0.000 0.440 321 M N -0.471 119.152 119.600 0.037 0.000 2.388 321 M HA 0.130 4.610 4.480 0.001 0.000 0.265 321 M C 1.379 177.698 176.300 0.032 0.000 1.088 321 M CA 0.308 55.622 55.300 0.023 0.000 1.134 321 M CB -0.879 31.731 32.600 0.017 0.000 1.384 321 M HN 0.120 nan 8.290 nan 0.000 0.447 322 A N 1.516 124.368 122.820 0.053 0.000 2.409 322 A HA 0.345 4.666 4.320 0.001 0.000 0.246 322 A C 0.617 178.231 177.584 0.049 0.000 1.099 322 A CA 0.134 52.211 52.037 0.066 0.000 0.789 322 A CB -0.100 18.965 19.000 0.109 0.000 1.053 322 A HN 0.497 nan 8.150 nan 0.000 0.503 323 T N -2.862 111.726 114.554 0.058 0.000 2.912 323 T HA 0.608 4.959 4.350 0.001 0.000 0.288 323 T C 0.721 175.454 174.700 0.054 0.000 1.030 323 T CA 0.134 62.257 62.100 0.038 0.000 1.020 323 T CB 1.408 70.296 68.868 0.033 0.000 1.056 323 T HN 2.427 nan 8.240 nan 0.000 0.480 324 G N 0.388 109.193 108.800 0.008 0.000 2.143 324 G HA2 -0.191 3.770 3.960 0.001 0.000 0.248 324 G HA3 -0.191 3.770 3.960 0.001 0.000 0.248 324 G C -0.064 174.736 174.900 -0.167 0.000 0.991 324 G CA -0.078 45.015 45.100 -0.011 0.000 0.689 324 G HN 1.163 nan 8.290 nan 0.000 0.522 325 V N 1.437 121.226 119.914 -0.207 0.000 2.348 325 V HA 0.386 4.507 4.120 0.001 0.000 0.270 325 V C -1.219 174.606 176.094 -0.449 0.000 1.037 325 V CA -1.681 60.355 62.300 -0.440 0.000 0.872 325 V CB 1.138 32.853 31.823 -0.180 0.000 1.002 325 V HN 0.139 nan 8.190 nan 0.000 0.464 326 P HA 0.015 nan 4.420 nan 0.000 0.264 326 P C 0.980 178.142 177.300 -0.229 0.000 1.179 326 P CA 0.424 63.286 63.100 -0.396 0.000 0.763 326 P CB 0.707 32.142 31.700 -0.442 0.000 0.806 327 A N 4.069 126.810 122.820 -0.130 0.000 1.896 327 A HA -0.281 4.040 4.320 0.001 0.000 0.220 327 A C 1.781 179.342 177.584 -0.038 0.000 1.206 327 A CA 2.390 54.387 52.037 -0.066 0.000 0.647 327 A CB -1.243 17.736 19.000 -0.034 0.000 0.828 327 A HN 0.697 nan 8.150 nan 0.000 0.455 328 D N -0.080 120.314 120.400 -0.011 0.000 2.144 328 D HA -0.131 4.510 4.640 0.001 0.000 0.200 328 D C 1.716 178.085 176.300 0.114 0.000 0.978 328 D CA 1.078 55.129 54.000 0.086 0.000 0.833 328 D CB -0.575 40.330 40.800 0.176 0.000 0.961 328 D HN 0.385 nan 8.370 nan 0.000 0.470 329 I N 0.242 120.786 120.570 -0.043 0.000 2.394 329 I HA -0.124 4.047 4.170 0.001 0.000 0.251 329 I C 2.363 178.464 176.117 -0.026 0.000 1.136 329 I CA 0.336 61.576 61.300 -0.100 0.000 1.425 329 I CB -0.751 37.127 38.000 -0.203 0.000 1.079 329 I HN 0.013 nan 8.210 nan 0.000 0.425 330 L N 0.675 121.871 121.223 -0.046 0.000 1.994 330 L HA -0.195 4.146 4.340 0.001 0.000 0.208 330 L C 2.607 179.486 176.870 0.016 0.000 1.071 330 L CA 2.020 56.850 54.840 -0.016 0.000 0.745 330 L CB -1.067 40.971 42.059 -0.034 0.000 0.892 330 L HN 0.183 nan 8.230 nan 0.000 0.431 331 T N -0.825 113.742 114.554 0.022 0.000 2.635 331 T HA -0.189 4.161 4.350 0.001 0.000 0.267 331 T C 1.685 176.414 174.700 0.048 0.000 1.040 331 T CA 1.583 63.702 62.100 0.030 0.000 1.156 331 T CB -0.198 68.685 68.868 0.025 0.000 0.863 331 T HN 0.291 nan 8.240 nan 0.000 0.430 332 E N 0.701 120.949 120.200 0.079 0.000 2.208 332 E HA -0.023 4.327 4.350 0.001 0.000 0.193 332 E C 2.451 179.090 176.600 0.064 0.000 0.988 332 E CA 0.822 57.280 56.400 0.097 0.000 0.828 332 E CB -0.665 29.152 29.700 0.195 0.000 0.763 332 E HN 0.483 nan 8.360 nan 0.000 0.478 333 T N 1.573 116.153 114.554 0.043 0.000 2.777 333 T HA -0.055 4.296 4.350 0.001 0.000 0.266 333 T C 2.124 176.831 174.700 0.013 0.000 1.040 333 T CA 0.747 62.852 62.100 0.008 0.000 1.141 333 T CB -0.157 68.719 68.868 0.013 0.000 0.868 333 T HN 0.104 nan 8.240 nan 0.000 0.444 334 I N 1.752 122.342 120.570 0.034 0.000 2.163 334 I HA -0.203 3.968 4.170 0.001 0.000 0.243 334 I C 2.411 178.536 176.117 0.013 0.000 1.085 334 I CA 0.996 62.317 61.300 0.035 0.000 1.347 334 I CB -0.383 37.646 38.000 0.049 0.000 1.044 334 I HN 0.173 nan 8.210 nan 0.000 0.408 335 N N 0.188 118.920 118.700 0.054 0.000 2.223 335 N HA -0.123 4.618 4.740 0.001 0.000 0.185 335 N C 1.821 177.354 175.510 0.039 0.000 1.016 335 N CA 1.668 54.785 53.050 0.112 0.000 0.863 335 N CB -0.397 38.170 38.487 0.132 0.000 0.983 335 N HN 0.376 nan 8.380 nan 0.000 0.429 336 T N 0.589 115.146 114.554 0.004 0.000 2.809 336 T HA 0.015 4.366 4.350 0.001 0.000 0.260 336 T C 2.208 176.867 174.700 -0.069 0.000 1.039 336 T CA 0.465 62.548 62.100 -0.029 0.000 1.141 336 T CB -0.242 68.597 68.868 -0.048 0.000 0.869 336 T HN -0.064 nan 8.240 nan 0.000 0.437 337 V N 1.768 121.641 119.914 -0.069 0.000 2.392 337 V HA -0.194 3.927 4.120 0.001 0.000 0.249 337 V C 2.718 178.704 176.094 -0.179 0.000 1.059 337 V CA 1.726 63.981 62.300 -0.075 0.000 1.051 337 V CB -0.822 31.001 31.823 0.001 0.000 0.658 337 V HN 0.439 nan 8.190 nan 0.000 0.455 338 S N -0.360 115.187 115.700 -0.255 0.000 2.359 338 S HA -0.263 4.208 4.470 0.001 0.000 0.223 338 S C 1.902 176.260 174.600 -0.403 0.000 1.039 338 S CA 1.940 59.876 58.200 -0.440 0.000 1.042 338 S CB -0.309 62.481 63.200 -0.682 0.000 0.915 338 S HN 0.726 nan 8.310 nan 0.000 0.439 339 E N 0.353 120.383 120.200 -0.283 0.000 2.152 339 E HA -0.049 4.302 4.350 0.001 0.000 0.192 339 E C 2.079 178.612 176.600 -0.112 0.000 0.983 339 E CA 0.798 57.092 56.400 -0.178 0.000 0.818 339 E CB -0.163 29.494 29.700 -0.072 0.000 0.758 339 E HN 0.304 nan 8.360 nan 0.000 0.467 340 V N 2.439 122.298 119.914 -0.091 0.000 2.407 340 V HA -0.220 3.901 4.120 0.001 0.000 0.248 340 V C 2.380 178.451 176.094 -0.037 0.000 1.055 340 V CA 1.726 64.001 62.300 -0.043 0.000 1.049 340 V CB -0.580 31.233 31.823 -0.017 0.000 0.662 340 V HN 0.394 nan 8.190 nan 0.000 0.455 341 I N -1.671 118.851 120.570 -0.080 0.000 3.427 341 I HA 0.164 4.335 4.170 0.001 0.000 0.288 341 I C 1.441 177.512 176.117 -0.076 0.000 1.249 341 I CA 0.048 61.313 61.300 -0.059 0.000 1.421 341 I CB -0.170 37.784 38.000 -0.077 0.000 1.086 341 I HN 0.061 nan 8.210 nan 0.000 0.448 342 R N 2.715 123.147 120.500 -0.112 0.000 2.483 342 R HA 0.155 4.496 4.340 0.001 0.000 0.329 342 R C 1.084 177.405 176.300 0.035 0.000 0.961 342 R CA 1.216 57.264 56.100 -0.086 0.000 1.041 342 R CB -0.282 29.908 30.300 -0.184 0.000 0.930 342 R HN 0.642 nan 8.270 nan 0.000 0.413 343 G N 2.904 111.772 108.800 0.113 0.000 2.159 343 G HA2 -0.308 3.653 3.960 0.001 0.000 0.256 343 G HA3 -0.308 3.653 3.960 0.001 0.000 0.256 343 G C -0.079 174.826 174.900 0.008 0.000 0.977 343 G CA 0.142 45.325 45.100 0.138 0.000 0.652 343 G HN 0.698 nan 8.290 nan 0.000 0.531 344 C N 0.958 120.243 119.300 -0.025 0.000 2.258 344 C HA 0.688 5.149 4.460 0.001 0.000 0.321 344 C C 1.842 176.783 174.990 -0.081 0.000 1.168 344 C CA 0.089 59.077 59.018 -0.049 0.000 1.531 344 C CB 0.520 28.238 27.740 -0.037 0.000 2.095 344 C HN 0.558 nan 8.230 nan 0.000 0.449 345 Q N 2.956 122.698 119.800 -0.097 0.000 2.096 345 Q HA -0.154 4.187 4.340 0.001 0.000 0.208 345 Q C 1.763 177.699 176.000 -0.106 0.000 0.993 345 Q CA 2.616 58.353 55.803 -0.110 0.000 0.862 345 Q CB -0.130 28.546 28.738 -0.103 0.000 0.915 345 Q HN 0.761 nan 8.270 nan 0.000 0.416 346 V N 0.940 120.761 119.914 -0.154 0.000 2.343 346 V HA -0.261 3.860 4.120 0.001 0.000 0.247 346 V C 1.795 177.706 176.094 -0.305 0.000 1.051 346 V CA 2.009 64.149 62.300 -0.267 0.000 1.036 346 V CB -0.692 30.890 31.823 -0.401 0.000 0.654 346 V HN 0.425 nan 8.190 nan 0.000 0.451 347 N N -0.036 118.534 118.700 -0.216 0.000 2.142 347 N HA -0.142 4.598 4.740 0.001 0.000 0.186 347 N C 1.901 177.497 175.510 0.142 0.000 1.023 347 N CA 1.194 54.219 53.050 -0.042 0.000 0.852 347 N CB -0.350 38.134 38.487 -0.004 0.000 0.998 347 N HN 0.565 nan 8.380 nan 0.000 0.424 348 Q N 0.421 120.270 119.800 0.081 0.000 2.061 348 Q HA -0.131 4.210 4.340 0.001 0.000 0.204 348 Q C 1.071 177.252 176.000 0.302 0.000 0.984 348 Q CA 1.326 57.238 55.803 0.181 0.000 0.846 348 Q CB -0.098 28.592 28.738 -0.080 0.000 0.902 348 Q HN 0.342 nan 8.270 nan 0.000 0.421 349 D N -0.339 120.149 120.400 0.146 0.000 2.149 349 D HA -0.181 4.460 4.640 0.001 0.000 0.198 349 D C 1.586 177.984 176.300 0.163 0.000 0.990 349 D CA 1.027 55.115 54.000 0.148 0.000 0.839 349 D CB -0.289 40.541 40.800 0.051 0.000 0.948 349 D HN 0.282 nan 8.370 nan 0.000 0.460 350 Y N 0.387 120.742 120.300 0.091 0.000 2.114 350 Y HA -0.232 4.318 4.550 0.001 0.000 0.284 350 Y C 2.205 178.209 175.900 0.173 0.000 1.143 350 Y CA 1.384 59.573 58.100 0.148 0.000 1.135 350 Y CB -0.742 37.863 38.460 0.242 0.000 0.980 350 Y HN -0.073 nan 8.280 nan 0.000 0.499 351 F N 0.823 120.797 119.950 0.041 0.000 2.120 351 F HA -0.264 4.265 4.527 0.005 0.000 0.300 351 F C 2.379 178.070 175.800 -0.182 0.000 1.095 351 F CA 1.935 59.895 58.000 -0.067 0.000 1.249 351 F CB -0.873 38.181 39.000 0.090 0.000 0.995 351 F HN 0.148 nan 8.300 nan 0.000 0.480 352 A N -0.259 122.584 122.820 0.038 0.000 1.917 352 A HA -0.257 4.063 4.320 0.001 0.000 0.219 352 A C 2.279 179.725 177.584 -0.230 0.000 1.182 352 A CA 2.326 54.278 52.037 -0.142 0.000 0.633 352 A CB -1.398 17.642 19.000 0.068 0.000 0.819 352 A HN 0.531 nan 8.150 nan 0.000 0.448 353 S N -0.981 114.580 115.700 -0.231 0.000 2.527 353 S HA 0.182 4.652 4.470 0.001 0.000 0.222 353 S C 0.544 174.961 174.600 -0.305 0.000 0.985 353 S CA 0.277 58.345 58.200 -0.220 0.000 0.921 353 S CB -0.738 62.379 63.200 -0.139 0.000 0.772 353 S HN 0.171 nan 8.310 nan 0.000 0.529 354 V N 3.452 123.088 119.914 -0.463 0.000 2.715 354 V HA 0.307 4.428 4.120 0.001 0.000 0.299 354 V C -0.044 175.864 176.094 -0.309 0.000 1.054 354 V CA -0.502 61.551 62.300 -0.411 0.000 1.077 354 V CB 0.428 31.945 31.823 -0.509 0.000 0.972 354 V HN 0.458 nan 8.190 nan 0.000 0.484 355 N N 1.484 120.059 118.700 -0.208 0.000 2.265 355 N HA 0.711 5.452 4.740 0.001 0.000 0.300 355 N C -0.258 175.179 175.510 -0.123 0.000 1.148 355 N CA -0.411 52.545 53.050 -0.157 0.000 0.772 355 N CB 2.124 40.545 38.487 -0.109 0.000 1.434 355 N HN 0.791 nan 8.380 nan 0.000 0.481 356 A N 1.083 123.841 122.820 -0.102 0.000 2.272 356 A HA 0.520 4.841 4.320 0.001 0.000 0.275 356 A C -1.455 176.098 177.584 -0.052 0.000 1.096 356 A CA -0.884 51.113 52.037 -0.067 0.000 0.822 356 A CB 0.090 19.057 19.000 -0.056 0.000 1.088 356 A HN 0.553 nan 8.150 nan 0.000 0.495 357 P HA 0.071 nan 4.420 nan 0.000 0.251 357 P C 0.975 178.261 177.300 -0.024 0.000 1.223 357 P CA 0.502 63.586 63.100 -0.027 0.000 0.796 357 P CB 0.074 31.763 31.700 -0.019 0.000 1.068 358 S N 1.127 116.812 115.700 -0.025 0.000 3.163 358 S HA -0.313 4.158 4.470 0.001 0.000 0.538 358 S C 1.634 176.226 174.600 -0.014 0.000 0.914 358 S CA 2.251 60.440 58.200 -0.019 0.000 3.390 358 S CB -1.542 61.645 63.200 -0.022 0.000 2.357 358 S HN 0.306 nan 8.310 nan 0.000 0.513 359 N N 1.819 120.511 118.700 -0.014 0.000 2.324 359 N HA 0.208 4.949 4.740 0.001 0.000 0.192 359 N C -1.748 173.756 175.510 -0.011 0.000 1.046 359 N CA 0.291 53.334 53.050 -0.010 0.000 0.898 359 N CB -0.689 37.792 38.487 -0.009 0.000 1.079 359 N HN 0.342 nan 8.380 nan 0.000 0.456 360 P HA 0.375 nan 4.420 nan 0.000 0.328 360 P C -2.430 174.858 177.300 -0.020 0.000 1.305 360 P CA -1.008 62.083 63.100 -0.015 0.000 0.745 360 P CB -0.054 31.638 31.700 -0.013 0.000 1.462 361 P HA 0.291 nan 4.420 nan 0.000 0.310 361 P C -0.904 176.373 177.300 -0.038 0.000 1.309 361 P CA -0.019 63.062 63.100 -0.032 0.000 0.753 361 P CB 0.324 32.004 31.700 -0.033 0.000 1.491 362 R N -2.090 118.380 120.500 -0.050 0.000 4.963 362 R HA 0.127 4.468 4.340 0.001 0.000 0.301 362 R C -2.897 173.353 176.300 -0.084 0.000 0.836 362 R CA -0.885 55.180 56.100 -0.057 0.000 1.344 362 R CB 0.195 30.463 30.300 -0.052 0.000 1.336 362 R HN 0.275 nan 8.270 nan 0.000 0.587 363 P HA 0.043 nan 4.420 nan 0.000 0.268 363 P C 0.303 177.507 177.300 -0.161 0.000 1.208 363 P CA 0.099 63.122 63.100 -0.127 0.000 0.777 363 P CB 0.776 32.414 31.700 -0.103 0.000 0.875 364 A N 2.354 125.018 122.820 -0.260 0.000 1.851 364 A HA -0.220 4.101 4.320 0.001 0.000 0.216 364 A C 1.983 179.481 177.584 -0.144 0.000 1.195 364 A CA 1.827 53.664 52.037 -0.333 0.000 0.622 364 A CB -1.687 16.837 19.000 -0.794 0.000 0.831 364 A HN 0.491 nan 8.150 nan 0.000 0.444 365 I N -0.224 120.273 120.570 -0.123 0.000 2.147 365 I HA -0.296 3.875 4.170 0.001 0.000 0.245 365 I C 2.431 178.560 176.117 0.019 0.000 1.059 365 I CA 1.602 62.904 61.300 0.003 0.000 1.320 365 I CB -0.576 37.367 38.000 -0.096 0.000 1.021 365 I HN 0.156 nan 8.210 nan 0.000 0.415 366 V N -0.460 119.434 119.914 -0.034 0.000 2.427 366 V HA -0.224 3.897 4.120 0.001 0.000 0.248 366 V C 2.384 178.454 176.094 -0.040 0.000 1.051 366 V CA 1.457 63.733 62.300 -0.039 0.000 1.048 366 V CB -0.398 31.399 31.823 -0.042 0.000 0.666 366 V HN 0.279 nan 8.190 nan 0.000 0.456 367 V N -0.236 119.654 119.914 -0.040 0.000 2.343 367 V HA -0.243 3.878 4.120 0.001 0.000 0.247 367 V C 2.301 178.391 176.094 -0.007 0.000 1.051 367 V CA 1.760 64.043 62.300 -0.029 0.000 1.036 367 V CB -0.544 31.255 31.823 -0.041 0.000 0.654 367 V HN 0.434 nan 8.190 nan 0.000 0.451 368 L N -0.714 120.524 121.223 0.025 0.000 2.012 368 L HA -0.209 4.132 4.340 0.001 0.000 0.210 368 L C 2.447 179.297 176.870 -0.034 0.000 1.073 368 L CA 1.707 56.574 54.840 0.046 0.000 0.748 368 L CB -0.553 41.591 42.059 0.142 0.000 0.891 368 L HN 0.302 nan 8.230 nan 0.000 0.431 369 L N -1.197 119.969 121.223 -0.095 0.000 2.093 369 L HA -0.214 4.126 4.340 0.001 0.000 0.208 369 L C 2.677 179.484 176.870 -0.105 0.000 1.085 369 L CA 1.120 55.853 54.840 -0.178 0.000 0.755 369 L CB -0.314 41.600 42.059 -0.242 0.000 0.904 369 L HN 0.319 nan 8.230 nan 0.000 0.435 370 M N -0.993 118.567 119.600 -0.065 0.000 2.117 370 M HA -0.200 4.281 4.480 0.001 0.000 0.262 370 M C 2.430 178.712 176.300 -0.030 0.000 1.065 370 M CA 1.656 56.931 55.300 -0.043 0.000 1.114 370 M CB -0.267 32.314 32.600 -0.031 0.000 1.361 370 M HN 0.146 nan 8.290 nan 0.000 0.408 371 S N 0.112 115.798 115.700 -0.022 0.000 2.406 371 S HA -0.060 4.411 4.470 0.001 0.000 0.228 371 S C 1.778 176.374 174.600 -0.007 0.000 1.020 371 S CA 0.887 59.082 58.200 -0.008 0.000 0.965 371 S CB -0.193 63.007 63.200 0.001 0.000 0.798 371 S HN 0.439 nan 8.310 nan 0.000 0.488 372 M N 1.615 121.201 119.600 -0.023 0.000 2.117 372 M HA -0.094 4.387 4.480 0.001 0.000 0.262 372 M C 1.680 177.976 176.300 -0.007 0.000 1.065 372 M CA 1.498 56.788 55.300 -0.018 0.000 1.114 372 M CB -0.134 32.431 32.600 -0.058 0.000 1.361 372 M HN 0.293 nan 8.290 nan 0.000 0.408 373 V N -1.562 118.337 119.914 -0.026 0.000 3.620 373 V HA 0.166 4.286 4.120 0.001 0.000 0.286 373 V C 0.298 176.392 176.094 0.000 0.000 1.288 373 V CA -0.109 62.182 62.300 -0.015 0.000 1.178 373 V CB -1.339 30.462 31.823 -0.037 0.000 0.986 373 V HN 0.378 nan 8.190 nan 0.000 0.431 374 N N 1.737 120.441 118.700 0.006 0.000 2.437 374 N HA 0.180 4.921 4.740 0.001 0.000 0.243 374 N C 0.846 176.370 175.510 0.023 0.000 1.041 374 N CA 0.081 53.138 53.050 0.011 0.000 0.940 374 N CB 1.357 39.849 38.487 0.007 0.000 1.133 374 N HN 0.507 nan 8.380 nan 0.000 0.506 375 E N 2.091 122.305 120.200 0.023 0.000 2.267 375 E HA -0.162 4.189 4.350 0.001 0.000 0.197 375 E C 0.885 177.503 176.600 0.030 0.000 0.998 375 E CA 1.230 57.647 56.400 0.028 0.000 0.830 375 E CB 0.306 30.018 29.700 0.021 0.000 0.751 375 E HN 0.559 nan 8.360 nan 0.000 0.491 376 R N 0.214 120.729 120.500 0.024 0.000 2.280 376 R HA 0.076 4.417 4.340 0.001 0.000 0.195 376 R C 0.431 176.747 176.300 0.028 0.000 0.935 376 R CA 0.062 56.176 56.100 0.023 0.000 1.033 376 R CB 0.258 30.567 30.300 0.015 0.000 0.964 376 R HN 0.050 nan 8.270 nan 0.000 0.489 377 Q N 1.733 121.552 119.800 0.031 0.000 2.364 377 Q HA 0.148 4.488 4.340 0.001 0.000 0.267 377 Q C -2.177 173.856 176.000 0.055 0.000 0.999 377 Q CA -1.693 54.130 55.803 0.033 0.000 0.886 377 Q CB 0.134 28.888 28.738 0.026 0.000 1.243 377 Q HN -0.067 nan 8.270 nan 0.000 0.415 378 P HA -0.105 nan 4.420 nan 0.000 0.266 378 P C 0.453 177.828 177.300 0.124 0.000 1.193 378 P CA 0.093 63.243 63.100 0.084 0.000 0.770 378 P CB 0.296 32.029 31.700 0.055 0.000 0.836 379 F N 4.087 124.044 119.950 0.011 0.000 2.069 379 F HA -0.241 4.286 4.527 0.001 0.000 0.298 379 F C 1.942 177.761 175.800 0.032 0.000 1.113 379 F CA 2.233 60.244 58.000 0.017 0.000 1.214 379 F CB -1.092 37.916 39.000 0.014 0.000 0.978 379 F HN 0.140 nan 8.300 nan 0.000 0.474 380 V N -0.693 119.166 119.914 -0.092 0.000 2.392 380 V HA -0.232 3.888 4.120 0.001 0.000 0.249 380 V C 2.286 178.293 176.094 -0.145 0.000 1.059 380 V CA 1.829 64.016 62.300 -0.188 0.000 1.051 380 V CB -1.550 30.245 31.823 -0.046 0.000 0.658 380 V HN 0.451 nan 8.190 nan 0.000 0.455 381 L N 0.688 121.872 121.223 -0.064 0.000 2.056 381 L HA -0.047 4.294 4.340 0.001 0.000 0.207 381 L C 2.820 179.661 176.870 -0.048 0.000 1.078 381 L CA 1.849 56.667 54.840 -0.035 0.000 0.749 381 L CB -0.768 41.288 42.059 -0.005 0.000 0.901 381 L HN 0.202 nan 8.230 nan 0.000 0.433 382 R N -1.265 119.196 120.500 -0.065 0.000 2.096 382 R HA -0.172 4.169 4.340 0.001 0.000 0.235 382 R C 2.295 178.544 176.300 -0.085 0.000 1.127 382 R CA 1.659 57.728 56.100 -0.051 0.000 0.968 382 R CB -1.130 29.166 30.300 -0.006 0.000 0.861 382 R HN 0.462 nan 8.270 nan 0.000 0.440 383 C N 0.201 119.365 119.300 -0.226 0.000 2.429 383 C HA -0.047 4.414 4.460 0.001 0.000 0.277 383 C C 2.972 177.934 174.990 -0.045 0.000 1.262 383 C CA 0.640 59.556 59.018 -0.169 0.000 1.733 383 C CB -1.025 26.508 27.740 -0.345 0.000 2.010 383 C HN 0.570 nan 8.230 nan 0.000 0.483 384 A N 0.550 123.344 122.820 -0.043 0.000 1.883 384 A HA -0.169 4.152 4.320 0.001 0.000 0.217 384 A C 2.410 180.042 177.584 0.080 0.000 1.186 384 A CA 2.255 54.316 52.037 0.039 0.000 0.624 384 A CB -1.101 17.911 19.000 0.020 0.000 0.822 384 A HN 0.580 nan 8.150 nan 0.000 0.444 385 V N -0.475 119.470 119.914 0.053 0.000 2.407 385 V HA -0.176 3.944 4.120 0.001 0.000 0.248 385 V C 2.217 178.375 176.094 0.107 0.000 1.055 385 V CA 2.402 64.746 62.300 0.072 0.000 1.049 385 V CB -0.556 31.296 31.823 0.048 0.000 0.662 385 V HN 0.463 nan 8.190 nan 0.000 0.455 386 L N -0.161 121.125 121.223 0.105 0.000 1.994 386 L HA -0.112 4.229 4.340 0.001 0.000 0.208 386 L C 2.388 179.381 176.870 0.205 0.000 1.071 386 L CA 2.768 57.697 54.840 0.149 0.000 0.745 386 L CB -1.340 40.815 42.059 0.160 0.000 0.892 386 L HN 0.532 nan 8.230 nan 0.000 0.431 387 Y N -0.306 120.004 120.300 0.016 0.000 2.081 387 Y HA -0.348 4.202 4.550 -0.001 0.000 0.280 387 Y C 2.830 178.716 175.900 -0.024 0.000 1.163 387 Y CA 1.463 59.548 58.100 -0.026 0.000 1.135 387 Y CB -1.226 37.199 38.460 -0.059 0.000 0.970 387 Y HN 0.429 nan 8.280 nan 0.000 0.498 388 C N -0.131 119.166 119.300 -0.006 0.000 2.398 388 C HA -0.276 4.185 4.460 0.001 0.000 0.276 388 C C 2.759 177.704 174.990 -0.075 0.000 1.222 388 C CA 1.540 60.461 59.018 -0.161 0.000 1.746 388 C CB -1.997 25.679 27.740 -0.107 0.000 2.039 388 C HN 0.651 nan 8.230 nan 0.000 0.470 389 F N 1.139 121.056 119.950 -0.055 0.000 2.171 389 F HA -0.151 4.377 4.527 0.001 0.000 0.300 389 F C 2.453 178.289 175.800 0.060 0.000 1.090 389 F CA 2.072 60.090 58.000 0.030 0.000 1.293 389 F CB -0.568 38.450 39.000 0.031 0.000 1.013 389 F HN 0.364 nan 8.300 nan 0.000 0.486 390 Q N -1.019 118.811 119.800 0.051 0.000 2.119 390 Q HA -0.193 4.148 4.340 0.001 0.000 0.201 390 Q C 2.403 178.377 176.000 -0.042 0.000 0.972 390 Q CA 1.762 57.529 55.803 -0.060 0.000 0.847 390 Q CB -0.522 28.116 28.738 -0.168 0.000 0.903 390 Q HN 0.449 nan 8.270 nan 0.000 0.433 391 C N 0.018 119.230 119.300 -0.147 0.000 2.450 391 C HA -0.092 4.368 4.460 0.001 0.000 0.279 391 C C 2.347 177.263 174.990 -0.123 0.000 1.335 391 C CA 0.050 58.950 59.018 -0.196 0.000 1.749 391 C CB -1.025 26.463 27.740 -0.420 0.000 1.963 391 C HN 0.528 nan 8.230 nan 0.000 0.501 392 F N 1.538 121.320 119.950 -0.280 0.000 2.171 392 F HA -0.053 4.474 4.527 0.001 0.000 0.300 392 F C 1.906 177.584 175.800 -0.203 0.000 1.090 392 F CA 1.543 59.394 58.000 -0.249 0.000 1.293 392 F CB -0.316 38.525 39.000 -0.264 0.000 1.013 392 F HN 0.113 nan 8.300 nan 0.000 0.486 393 L N -1.029 119.962 121.223 -0.387 0.000 2.446 393 L HA -0.065 4.276 4.340 0.001 0.000 0.219 393 L C 0.248 176.993 176.870 -0.209 0.000 1.116 393 L CA -0.141 54.460 54.840 -0.398 0.000 0.844 393 L CB -0.743 41.166 42.059 -0.249 0.000 0.970 393 L HN 0.028 nan 8.230 nan 0.000 0.457 394 Y N 3.339 123.519 120.300 -0.200 0.000 2.745 394 Y HA -0.104 4.449 4.550 0.005 0.000 0.335 394 Y C 0.853 176.666 175.900 -0.144 0.000 1.212 394 Y CA -0.326 57.706 58.100 -0.113 0.000 1.535 394 Y CB -0.011 38.412 38.460 -0.061 0.000 1.220 394 Y HN 0.027 nan 8.280 nan 0.000 0.531 395 K N 2.510 122.549 120.400 -0.603 0.000 3.088 395 K HA -0.303 4.017 4.320 0.001 0.000 0.273 395 K C -0.801 175.622 176.600 -0.295 0.000 1.111 395 K CA 1.034 57.038 56.287 -0.472 0.000 0.803 395 K CB -1.745 30.451 32.500 -0.506 0.000 1.226 395 K HN 0.714 nan 8.250 nan 0.000 0.485 396 N N 1.301 119.827 118.700 -0.289 0.000 2.904 396 N HA 0.154 4.895 4.740 0.001 0.000 0.257 396 N C 0.911 176.275 175.510 -0.243 0.000 1.363 396 N CA -0.292 52.584 53.050 -0.290 0.000 0.856 396 N CB 0.614 38.832 38.487 -0.450 0.000 1.166 396 N HN 0.098 nan 8.380 nan 0.000 0.499 397 Q N 0.972 120.664 119.800 -0.181 0.000 2.096 397 Q HA -0.217 4.124 4.340 0.001 0.000 0.204 397 Q C 1.329 177.260 176.000 -0.115 0.000 0.982 397 Q CA 1.316 57.037 55.803 -0.137 0.000 0.850 397 Q CB 0.127 28.799 28.738 -0.109 0.000 0.901 397 Q HN 0.565 nan 8.270 nan 0.000 0.422 398 K N 0.279 120.613 120.400 -0.110 0.000 2.001 398 K HA -0.185 4.136 4.320 0.001 0.000 0.214 398 K C 2.149 178.710 176.600 -0.064 0.000 1.050 398 K CA 1.612 57.855 56.287 -0.073 0.000 0.934 398 K CB -0.506 31.957 32.500 -0.062 0.000 0.718 398 K HN 0.280 nan 8.250 nan 0.000 0.443 399 G N 0.770 109.489 108.800 -0.135 0.000 2.469 399 G HA2 -0.316 3.645 3.960 0.001 0.000 0.219 399 G HA3 -0.316 3.645 3.960 0.001 0.000 0.219 399 G C 1.367 176.242 174.900 -0.042 0.000 1.150 399 G CA 1.015 46.049 45.100 -0.110 0.000 0.763 399 G HN 0.485 nan 8.290 nan 0.000 0.561 400 Q N -0.154 119.578 119.800 -0.114 0.000 2.084 400 Q HA -0.040 4.301 4.340 0.001 0.000 0.202 400 Q C 2.906 178.889 176.000 -0.029 0.000 0.978 400 Q CA 1.081 56.841 55.803 -0.072 0.000 0.844 400 Q CB -0.438 28.240 28.738 -0.101 0.000 0.898 400 Q HN 0.469 nan 8.270 nan 0.000 0.426 401 G N 0.925 109.706 108.800 -0.033 0.000 2.442 401 G HA2 -0.274 3.687 3.960 0.001 0.000 0.219 401 G HA3 -0.274 3.687 3.960 0.001 0.000 0.219 401 G C 1.052 175.960 174.900 0.012 0.000 1.141 401 G CA 0.823 45.914 45.100 -0.015 0.000 0.763 401 G HN 0.344 nan 8.290 nan 0.000 0.554 402 E N -0.200 120.023 120.200 0.038 0.000 2.112 402 E HA 0.006 4.357 4.350 0.001 0.000 0.190 402 E C 2.486 179.133 176.600 0.078 0.000 0.979 402 E CA 0.122 56.560 56.400 0.063 0.000 0.814 402 E CB 0.020 29.776 29.700 0.094 0.000 0.762 402 E HN 0.278 nan 8.360 nan 0.000 0.460 403 I N 0.907 121.541 120.570 0.106 0.000 2.113 403 I HA -0.225 3.946 4.170 0.001 0.000 0.238 403 I C 2.434 178.588 176.117 0.062 0.000 1.070 403 I CA 1.142 62.517 61.300 0.125 0.000 1.332 403 I CB -1.103 37.014 38.000 0.196 0.000 1.044 403 I HN 0.013 nan 8.210 nan 0.000 0.402 404 V N 1.568 121.499 119.914 0.027 0.000 2.332 404 V HA -0.257 3.864 4.120 0.001 0.000 0.248 404 V C 2.732 178.828 176.094 0.004 0.000 1.055 404 V CA 2.102 64.397 62.300 -0.009 0.000 1.038 404 V CB -1.000 30.798 31.823 -0.041 0.000 0.651 404 V HN 0.590 nan 8.190 nan 0.000 0.450 405 S N 0.800 116.508 115.700 0.013 0.000 2.419 405 S HA -0.228 4.243 4.470 0.001 0.000 0.233 405 S C 2.040 176.653 174.600 0.022 0.000 1.016 405 S CA 1.789 59.999 58.200 0.016 0.000 0.974 405 S CB -0.927 62.283 63.200 0.017 0.000 0.786 405 S HN 0.785 nan 8.310 nan 0.000 0.492 406 T N 0.769 115.339 114.554 0.028 0.000 2.867 406 T HA 0.115 4.466 4.350 0.001 0.000 0.268 406 T C 1.710 176.425 174.700 0.025 0.000 1.057 406 T CA 0.942 63.058 62.100 0.027 0.000 1.136 406 T CB -0.799 68.088 68.868 0.032 0.000 0.874 406 T HN 0.393 nan 8.240 nan 0.000 0.466 407 L N 0.025 121.262 121.223 0.023 0.000 2.362 407 L HA 0.247 4.588 4.340 0.001 0.000 0.219 407 L C 0.887 177.778 176.870 0.035 0.000 1.134 407 L CA 0.710 55.566 54.840 0.027 0.000 0.807 407 L CB -0.308 41.762 42.059 0.018 0.000 0.927 407 L HN 0.281 nan 8.230 nan 0.000 0.447 408 L N 1.788 123.029 121.223 0.030 0.000 2.417 408 L HA 0.214 4.555 4.340 0.001 0.000 0.258 408 L C -1.268 175.618 176.870 0.027 0.000 1.088 408 L CA -1.175 53.684 54.840 0.031 0.000 0.975 408 L CB 0.558 42.634 42.059 0.028 0.000 1.341 408 L HN -0.103 nan 8.230 nan 0.000 0.431 409 P HA -0.072 nan 4.420 nan 0.000 0.236 409 P C 0.513 177.825 177.300 0.020 0.000 1.172 409 P CA 0.249 63.363 63.100 0.024 0.000 0.759 409 P CB 0.201 31.916 31.700 0.025 0.000 0.843 410 S N 0.206 115.918 115.700 0.021 0.000 2.558 410 S HA 0.096 4.567 4.470 0.001 0.000 0.291 410 S C 0.992 175.601 174.600 0.016 0.000 1.306 410 S CA 1.190 59.400 58.200 0.018 0.000 1.056 410 S CB -0.541 62.670 63.200 0.019 0.000 0.836 410 S HN 0.321 nan 8.310 nan 0.000 0.504 411 T N 0.190 114.752 114.554 0.013 0.000 5.396 411 T HA -0.154 4.197 4.350 0.001 0.000 0.267 411 T C -0.229 174.478 174.700 0.011 0.000 2.216 411 T CA 0.598 62.705 62.100 0.012 0.000 3.793 411 T CB -1.774 67.102 68.868 0.012 0.000 0.379 411 T HN 0.615 nan 8.240 nan 0.000 1.014 412 I N 0.938 121.515 120.570 0.011 0.000 2.649 412 I HA 0.486 4.657 4.170 0.001 0.000 0.289 412 I C -1.468 174.655 176.117 0.010 0.000 1.222 412 I CA -0.622 60.684 61.300 0.010 0.000 1.046 412 I CB 2.235 40.241 38.000 0.011 0.000 1.272 412 I HN -0.053 nan 8.210 nan 0.000 0.425 413 D N 3.508 123.913 120.400 0.008 0.000 2.614 413 D HA 0.787 5.428 4.640 0.001 0.000 0.264 413 D C -0.654 175.650 176.300 0.006 0.000 1.092 413 D CA -0.240 53.765 54.000 0.008 0.000 1.071 413 D CB 2.071 42.876 40.800 0.007 0.000 1.443 413 D HN 0.525 nan 8.370 nan 0.000 0.528 414 A N -0.739 122.085 122.820 0.006 0.000 2.294 414 A HA 0.616 4.937 4.320 0.001 0.000 0.330 414 A C -0.273 177.313 177.584 0.003 0.000 1.133 414 A CA -0.443 51.596 52.037 0.004 0.000 0.836 414 A CB 0.828 19.831 19.000 0.005 0.000 1.190 414 A HN 0.381 nan 8.150 nan 0.000 0.492 415 T N 1.786 116.341 114.554 0.002 0.000 3.326 415 T HA 0.480 4.831 4.350 0.001 0.000 0.274 415 T C 1.269 175.970 174.700 0.001 0.000 1.608 415 T CA 0.570 62.670 62.100 0.001 0.000 1.433 415 T CB -0.360 68.507 68.868 -0.000 0.000 1.034 415 T HN 1.857 nan 8.240 nan 0.000 0.694 416 G N 3.696 112.498 108.800 0.002 0.000 3.099 416 G HA2 -0.383 3.578 3.960 0.001 0.000 0.331 416 G HA3 -0.383 3.578 3.960 0.001 0.000 0.331 416 G C 0.224 175.126 174.900 0.002 0.000 1.216 416 G CA 0.536 45.638 45.100 0.003 0.000 0.977 416 G HN 0.819 nan 8.290 nan 0.000 0.600 417 N N 0.471 119.172 118.700 0.001 0.000 2.529 417 N HA 0.525 5.266 4.740 0.001 0.000 0.278 417 N C -0.042 175.467 175.510 -0.002 0.000 1.146 417 N CA 0.818 53.868 53.050 -0.001 0.000 0.980 417 N CB 1.831 40.317 38.487 -0.002 0.000 1.124 417 N HN 1.206 nan 8.380 nan 0.000 0.458 418 T N 0.582 115.134 114.554 -0.003 0.000 3.813 418 T HA -0.043 4.308 4.350 0.001 0.000 0.164 418 T C -1.074 173.624 174.700 -0.005 0.000 0.501 418 T CA -0.677 61.420 62.100 -0.006 0.000 0.885 418 T CB -1.083 67.782 68.868 -0.005 0.000 1.392 418 T HN 0.591 nan 8.240 nan 0.000 0.518 419 V N 4.567 124.477 119.914 -0.007 0.000 2.763 419 V HA 0.640 4.761 4.120 0.001 0.000 0.306 419 V C 0.802 176.890 176.094 -0.009 0.000 1.059 419 V CA 1.298 63.594 62.300 -0.007 0.000 1.138 419 V CB 1.152 32.969 31.823 -0.010 0.000 0.940 419 V HN 1.085 nan 8.190 nan 0.000 0.489 420 S N 5.335 121.032 115.700 -0.005 0.000 2.745 420 S HA 0.717 5.188 4.470 0.001 0.000 0.292 420 S C 1.134 175.728 174.600 -0.010 0.000 1.133 420 S CA -0.117 58.081 58.200 -0.004 0.000 0.998 420 S CB 1.650 64.853 63.200 0.006 0.000 1.087 420 S HN 1.417 nan 8.310 nan 0.000 0.551 421 A N 1.353 124.172 122.820 -0.001 0.000 1.851 421 A HA 0.116 4.437 4.320 0.001 0.000 0.216 421 A C 2.223 179.795 177.584 -0.021 0.000 1.195 421 A CA 2.056 54.089 52.037 -0.005 0.000 0.622 421 A CB -2.025 17.008 19.000 0.054 0.000 0.831 421 A HN 1.280 nan 8.150 nan 0.000 0.444 422 G N -1.140 107.661 108.800 0.002 0.000 2.476 422 G HA2 -0.321 3.640 3.960 0.001 0.000 0.218 422 G HA3 -0.321 3.640 3.960 0.001 0.000 0.218 422 G C 1.666 176.558 174.900 -0.013 0.000 1.164 422 G CA 1.187 46.285 45.100 -0.004 0.000 0.768 422 G HN 0.625 nan 8.290 nan 0.000 0.560 423 Q N -0.232 119.566 119.800 -0.003 0.000 2.030 423 Q HA -0.060 4.280 4.340 0.001 0.000 0.204 423 Q C 2.712 178.702 176.000 -0.016 0.000 0.986 423 Q CA 1.236 57.042 55.803 0.004 0.000 0.843 423 Q CB -0.255 28.488 28.738 0.009 0.000 0.904 423 Q HN 0.518 nan 8.270 nan 0.000 0.420 424 L N 0.450 121.652 121.223 -0.036 0.000 2.079 424 L HA -0.240 4.101 4.340 0.001 0.000 0.210 424 L C 2.457 179.271 176.870 -0.093 0.000 1.081 424 L CA 0.843 55.648 54.840 -0.059 0.000 0.752 424 L CB -0.343 41.672 42.059 -0.073 0.000 0.896 424 L HN 0.296 nan 8.230 nan 0.000 0.433 425 L N -1.503 119.655 121.223 -0.108 0.000 2.044 425 L HA -0.221 4.120 4.340 0.001 0.000 0.205 425 L C 2.738 179.496 176.870 -0.187 0.000 1.075 425 L CA 1.091 55.843 54.840 -0.147 0.000 0.747 425 L CB -0.530 41.450 42.059 -0.131 0.000 0.903 425 L HN 0.358 nan 8.230 nan 0.000 0.435 426 C N -0.023 119.188 119.300 -0.149 0.000 2.413 426 C HA -0.141 4.320 4.460 0.001 0.000 0.276 426 C C 2.921 177.776 174.990 -0.226 0.000 1.236 426 C CA 0.863 59.755 59.018 -0.211 0.000 1.735 426 C CB -1.660 26.100 27.740 0.033 0.000 2.031 426 C HN 0.727 nan 8.230 nan 0.000 0.474 427 G N 0.486 109.254 108.800 -0.054 0.000 2.529 427 G HA2 -0.144 3.817 3.960 0.001 0.000 0.219 427 G HA3 -0.144 3.817 3.960 0.001 0.000 0.219 427 G C 1.791 176.658 174.900 -0.056 0.000 1.177 427 G CA 1.401 46.501 45.100 0.001 0.000 0.773 427 G HN 0.605 nan 8.290 nan 0.000 0.573 428 G N 0.290 109.023 108.800 -0.112 0.000 2.408 428 G HA2 -0.069 3.892 3.960 0.001 0.000 0.217 428 G HA3 -0.069 3.892 3.960 0.001 0.000 0.217 428 G C 1.701 176.504 174.900 -0.162 0.000 1.150 428 G CA 0.832 45.871 45.100 -0.103 0.000 0.776 428 G HN 0.380 nan 8.290 nan 0.000 0.542 429 L N -0.401 120.609 121.223 -0.355 0.000 2.275 429 L HA 0.212 4.553 4.340 0.001 0.000 0.215 429 L C 1.290 177.820 176.870 -0.566 0.000 1.119 429 L CA 1.184 55.701 54.840 -0.539 0.000 0.790 429 L CB -0.243 41.318 42.059 -0.831 0.000 0.919 429 L HN 0.220 nan 8.230 nan 0.000 0.443 430 F N -2.454 117.506 119.950 0.018 0.000 2.688 430 F HA 0.371 4.900 4.527 0.002 0.000 0.310 430 F C 1.434 177.243 175.800 0.014 0.000 1.098 430 F CA -0.689 57.321 58.000 0.017 0.000 1.228 430 F CB -1.143 37.866 39.000 0.015 0.000 1.042 430 F HN -0.166 nan 8.300 nan 0.000 0.557 431 S N -0.027 115.741 115.700 0.114 0.000 2.572 431 S HA -0.032 4.439 4.470 0.001 0.000 0.267 431 S C 1.692 176.339 174.600 0.078 0.000 1.361 431 S CA 0.380 58.627 58.200 0.079 0.000 1.009 431 S CB 0.790 64.013 63.200 0.037 0.000 0.888 431 S HN 0.270 nan 8.310 nan 0.000 0.553 432 T N 1.317 115.906 114.554 0.057 0.000 2.985 432 T HA 0.006 4.357 4.350 0.001 0.000 0.266 432 T C 0.243 174.964 174.700 0.034 0.000 1.076 432 T CA 0.969 63.096 62.100 0.044 0.000 1.135 432 T CB -0.354 68.534 68.868 0.033 0.000 0.890 432 T HN 0.714 nan 8.240 nan 0.000 0.480 433 D N 0.848 121.267 120.400 0.032 0.000 2.317 433 D HA 0.141 4.782 4.640 0.001 0.000 0.252 433 D C 1.355 177.675 176.300 0.034 0.000 1.174 433 D CA -0.023 53.993 54.000 0.026 0.000 0.866 433 D CB 1.087 41.902 40.800 0.025 0.000 1.127 433 D HN 0.138 nan 8.370 nan 0.000 0.467 434 S N 3.323 119.038 115.700 0.025 0.000 2.423 434 S HA -0.168 4.303 4.470 0.001 0.000 0.231 434 S C 1.886 176.526 174.600 0.068 0.000 1.014 434 S CA 0.230 58.453 58.200 0.040 0.000 0.965 434 S CB -0.245 62.963 63.200 0.015 0.000 0.785 434 S HN 0.464 nan 8.310 nan 0.000 0.495 435 L N 2.191 123.439 121.223 0.042 0.000 2.012 435 L HA -0.047 4.294 4.340 0.001 0.000 0.210 435 L C 2.925 179.877 176.870 0.138 0.000 1.073 435 L CA 1.812 56.697 54.840 0.076 0.000 0.748 435 L CB -1.192 40.913 42.059 0.077 0.000 0.891 435 L HN 0.300 nan 8.230 nan 0.000 0.431 436 S N -0.750 115.003 115.700 0.089 0.000 2.383 436 S HA -0.142 4.329 4.470 0.001 0.000 0.227 436 S C 1.707 176.339 174.600 0.055 0.000 1.026 436 S CA 1.368 59.606 58.200 0.063 0.000 0.981 436 S CB -0.555 62.661 63.200 0.027 0.000 0.818 436 S HN 0.559 nan 8.310 nan 0.000 0.472 437 N N -0.209 118.531 118.700 0.066 0.000 2.106 437 N HA -0.139 4.602 4.740 0.001 0.000 0.188 437 N C 1.556 177.114 175.510 0.081 0.000 1.029 437 N CA 1.313 54.387 53.050 0.040 0.000 0.848 437 N CB -0.196 38.325 38.487 0.056 0.000 1.007 437 N HN 0.480 nan 8.380 nan 0.000 0.423 438 W N 1.686 122.960 121.300 -0.044 0.000 2.354 438 W HA -0.176 4.483 4.660 -0.002 0.000 0.315 438 W C 2.178 178.683 176.519 -0.022 0.000 1.206 438 W CA 0.946 58.265 57.345 -0.042 0.000 1.290 438 W CB -0.475 28.952 29.460 -0.055 0.000 1.152 438 W HN 0.030 nan 8.180 nan 0.000 0.489 439 C N 0.351 119.910 119.300 0.432 0.000 2.425 439 C HA -0.140 4.321 4.460 0.001 0.000 0.277 439 C C 2.978 177.985 174.990 0.028 0.000 1.280 439 C CA 1.519 60.703 59.018 0.278 0.000 1.744 439 C CB -1.765 26.108 27.740 0.223 0.000 1.989 439 C HN 0.503 nan 8.230 nan 0.000 0.491 440 A N 0.363 123.167 122.820 -0.027 0.000 1.930 440 A HA 0.129 4.450 4.320 0.001 0.000 0.217 440 A C 2.338 179.845 177.584 -0.128 0.000 1.175 440 A CA 1.935 53.906 52.037 -0.109 0.000 0.627 440 A CB -0.742 18.172 19.000 -0.143 0.000 0.815 440 A HN 0.561 nan 8.150 nan 0.000 0.443 441 A N -0.694 122.037 122.820 -0.148 0.000 1.897 441 A HA 0.097 4.418 4.320 0.001 0.000 0.215 441 A C 2.216 179.680 177.584 -0.200 0.000 1.181 441 A CA 1.563 53.494 52.037 -0.177 0.000 0.620 441 A CB -0.783 18.093 19.000 -0.207 0.000 0.821 441 A HN 0.319 nan 8.150 nan 0.000 0.443 442 V N -0.016 119.715 119.914 -0.305 0.000 2.270 442 V HA -0.226 3.895 4.120 0.001 0.000 0.245 442 V C 3.089 179.202 176.094 0.032 0.000 1.043 442 V CA 1.860 64.020 62.300 -0.233 0.000 1.014 442 V CB -1.281 30.230 31.823 -0.520 0.000 0.645 442 V HN 0.602 nan 8.190 nan 0.000 0.447 443 A N -0.145 122.685 122.820 0.016 0.000 1.903 443 A HA -0.274 4.046 4.320 0.001 0.000 0.219 443 A C 2.187 179.914 177.584 0.239 0.000 1.191 443 A CA 2.424 54.556 52.037 0.159 0.000 0.638 443 A CB -0.741 18.213 19.000 -0.077 0.000 0.823 443 A HN 0.433 nan 8.150 nan 0.000 0.451 444 L N -0.469 120.793 121.223 0.066 0.000 2.083 444 L HA -0.066 4.275 4.340 0.001 0.000 0.209 444 L C 2.756 179.620 176.870 -0.011 0.000 1.083 444 L CA 2.088 56.934 54.840 0.011 0.000 0.752 444 L CB -0.929 41.074 42.059 -0.092 0.000 0.899 444 L HN 0.385 nan 8.230 nan 0.000 0.433 445 A N -1.788 121.037 122.820 0.009 0.000 1.933 445 A HA -0.234 4.087 4.320 0.001 0.000 0.218 445 A C 2.173 179.762 177.584 0.008 0.000 1.175 445 A CA 1.563 53.591 52.037 -0.015 0.000 0.628 445 A CB -0.916 18.079 19.000 -0.009 0.000 0.814 445 A HN 0.657 nan 8.150 nan 0.000 0.444 446 H N -0.832 118.252 119.070 0.023 0.000 2.491 446 H HA 0.016 4.571 4.556 -0.001 0.000 0.290 446 H C 2.312 177.635 175.328 -0.009 0.000 1.050 446 H CA 0.964 57.037 56.048 0.041 0.000 1.309 446 H CB 0.033 29.854 29.762 0.098 0.000 1.392 446 H HN 0.567 nan 8.280 nan 0.000 0.554 447 A N 0.638 123.516 122.820 0.096 0.000 2.119 447 A HA -0.002 4.319 4.320 0.001 0.000 0.217 447 A C 2.256 179.795 177.584 -0.075 0.000 1.153 447 A CA 0.569 52.610 52.037 0.007 0.000 0.692 447 A CB -0.256 18.767 19.000 0.038 0.000 0.799 447 A HN 0.263 nan 8.150 nan 0.000 0.458 448 L N -1.473 119.685 121.223 -0.108 0.000 2.556 448 L HA 0.131 4.472 4.340 0.001 0.000 0.226 448 L C 1.076 177.878 176.870 -0.114 0.000 1.089 448 L CA -0.208 54.542 54.840 -0.149 0.000 0.864 448 L CB -0.139 41.780 42.059 -0.233 0.000 1.067 448 L HN 0.383 nan 8.230 nan 0.000 0.477 449 Q N 1.763 121.498 119.800 -0.108 0.000 2.308 449 Q HA -0.165 4.176 4.340 0.001 0.000 0.313 449 Q C 0.157 176.097 176.000 -0.101 0.000 1.075 449 Q CA 0.739 56.478 55.803 -0.106 0.000 0.995 449 Q CB 0.142 28.804 28.738 -0.127 0.000 1.107 449 Q HN 0.150 nan 8.270 nan 0.000 0.380 450 E N 1.388 121.537 120.200 -0.086 0.000 2.805 450 E HA -0.333 4.018 4.350 0.001 0.000 0.266 450 E C -0.838 175.712 176.600 -0.083 0.000 1.092 450 E CA 0.673 57.024 56.400 -0.082 0.000 0.781 450 E CB -0.637 29.008 29.700 -0.093 0.000 1.379 450 E HN 0.501 nan 8.360 nan 0.000 0.433 451 N N -0.817 117.835 118.700 -0.081 0.000 2.804 451 N HA 0.388 5.128 4.740 0.001 0.000 0.251 451 N C 0.475 175.948 175.510 -0.061 0.000 1.250 451 N CA 0.649 53.654 53.050 -0.075 0.000 0.820 451 N CB 0.765 39.200 38.487 -0.088 0.000 1.156 451 N HN 0.135 nan 8.380 nan 0.000 0.512 452 A N 1.690 124.482 122.820 -0.047 0.000 1.892 452 A HA -0.160 4.161 4.320 0.001 0.000 0.218 452 A C 1.998 179.570 177.584 -0.021 0.000 1.188 452 A CA 2.123 54.142 52.037 -0.030 0.000 0.631 452 A CB -0.762 18.223 19.000 -0.025 0.000 0.822 452 A HN 0.562 nan 8.150 nan 0.000 0.447 453 T N 0.014 114.552 114.554 -0.027 0.000 2.653 453 T HA -0.198 4.152 4.350 0.001 0.000 0.268 453 T C 2.020 176.706 174.700 -0.024 0.000 1.035 453 T CA 1.835 63.922 62.100 -0.022 0.000 1.154 453 T CB -0.273 68.579 68.868 -0.027 0.000 0.862 453 T HN 0.518 nan 8.240 nan 0.000 0.441 454 Q N 0.577 120.350 119.800 -0.045 0.000 2.245 454 Q HA 0.112 4.452 4.340 0.001 0.000 0.201 454 Q C 2.231 178.181 176.000 -0.083 0.000 0.955 454 Q CA 0.846 56.610 55.803 -0.064 0.000 0.870 454 Q CB -0.197 28.488 28.738 -0.088 0.000 0.945 454 Q HN 0.533 nan 8.270 nan 0.000 0.461 455 K N 0.892 121.256 120.400 -0.061 0.000 2.097 455 K HA -0.140 4.181 4.320 0.001 0.000 0.206 455 K C 1.884 178.583 176.600 0.164 0.000 1.049 455 K CA 1.194 57.486 56.287 0.008 0.000 0.933 455 K CB 0.080 32.635 32.500 0.090 0.000 0.717 455 K HN 0.306 nan 8.250 nan 0.000 0.442 456 E N 0.330 120.575 120.200 0.074 0.000 2.158 456 E HA -0.126 4.225 4.350 0.001 0.000 0.191 456 E C 2.112 178.736 176.600 0.040 0.000 0.982 456 E CA 0.544 56.974 56.400 0.050 0.000 0.823 456 E CB 0.156 29.867 29.700 0.018 0.000 0.766 456 E HN 0.231 nan 8.360 nan 0.000 0.468 457 Q N 0.389 120.205 119.800 0.026 0.000 2.172 457 Q HA -0.070 4.271 4.340 0.001 0.000 0.200 457 Q C 2.206 178.231 176.000 0.042 0.000 0.964 457 Q CA 0.612 56.427 55.803 0.020 0.000 0.855 457 Q CB -0.074 28.663 28.738 -0.002 0.000 0.918 457 Q HN 0.227 nan 8.270 nan 0.000 0.444 458 L N 0.534 121.780 121.223 0.039 0.000 2.362 458 L HA -0.065 4.276 4.340 0.001 0.000 0.219 458 L C 1.965 179.027 176.870 0.320 0.000 1.134 458 L CA 0.841 55.713 54.840 0.054 0.000 0.807 458 L CB -0.265 41.619 42.059 -0.292 0.000 0.927 458 L HN 0.126 nan 8.230 nan 0.000 0.447 459 L N -1.161 120.251 121.223 0.314 0.000 2.131 459 L HA -0.186 4.155 4.340 0.001 0.000 0.210 459 L C 2.461 179.401 176.870 0.117 0.000 1.092 459 L CA 0.982 55.930 54.840 0.180 0.000 0.759 459 L CB -0.476 41.489 42.059 -0.156 0.000 0.903 459 L HN 0.204 nan 8.230 nan 0.000 0.435 460 R N -0.463 120.094 120.500 0.095 0.000 2.285 460 R HA -0.017 4.324 4.340 0.001 0.000 0.213 460 R C 0.428 176.790 176.300 0.103 0.000 1.068 460 R CA 0.119 56.271 56.100 0.087 0.000 1.004 460 R CB -0.267 30.071 30.300 0.063 0.000 0.873 460 R HN 0.105 nan 8.270 nan 0.000 0.467 461 V N 2.598 122.591 119.914 0.133 0.000 2.521 461 V HA -0.009 4.112 4.120 0.001 0.000 0.286 461 V C 0.196 176.370 176.094 0.132 0.000 1.034 461 V CA 0.429 62.805 62.300 0.127 0.000 1.045 461 V CB 1.149 33.054 31.823 0.138 0.000 0.974 461 V HN 0.168 nan 8.190 nan 0.000 0.480 462 Q N 4.919 124.781 119.800 0.102 0.000 2.340 462 Q HA 0.594 4.935 4.340 0.001 0.000 0.268 462 Q C -0.942 175.105 176.000 0.079 0.000 1.031 462 Q CA -0.516 55.340 55.803 0.089 0.000 0.804 462 Q CB 2.740 31.520 28.738 0.069 0.000 1.286 462 Q HN 0.603 nan 8.270 nan 0.000 0.448 463 L N 0.983 122.248 121.223 0.071 0.000 2.334 463 L HA 0.712 5.052 4.340 0.001 0.000 0.275 463 L C 0.171 177.053 176.870 0.019 0.000 1.036 463 L CA -1.014 53.858 54.840 0.053 0.000 0.807 463 L CB 1.593 43.677 42.059 0.042 0.000 1.231 463 L HN 0.584 nan 8.230 nan 0.000 0.438 464 A N 0.955 123.782 122.820 0.012 0.000 2.331 464 A HA 0.521 4.842 4.320 0.001 0.000 0.283 464 A C 0.747 178.316 177.584 -0.027 0.000 1.142 464 A CA 0.009 52.045 52.037 -0.001 0.000 0.812 464 A CB 0.632 19.636 19.000 0.006 0.000 1.074 464 A HN 0.896 nan 8.150 nan 0.000 0.497 465 T N -0.319 114.218 114.554 -0.029 0.000 3.115 465 T HA 0.447 4.798 4.350 0.001 0.000 0.235 465 T C 0.683 175.363 174.700 -0.035 0.000 0.999 465 T CA 0.833 62.906 62.100 -0.045 0.000 1.276 465 T CB -0.111 68.732 68.868 -0.042 0.000 0.967 465 T HN 0.701 nan 8.240 nan 0.000 0.420 466 S N -0.466 115.220 115.700 -0.024 0.000 2.578 466 S HA 0.505 4.976 4.470 0.001 0.000 0.272 466 S C -1.483 173.110 174.600 -0.012 0.000 1.145 466 S CA -0.893 57.296 58.200 -0.018 0.000 0.835 466 S CB 1.143 64.331 63.200 -0.021 0.000 1.104 466 S HN 0.436 nan 8.310 nan 0.000 0.458 467 I N 2.752 123.317 120.570 -0.009 0.000 2.996 467 I HA 0.186 4.356 4.170 0.001 0.000 0.310 467 I C 1.621 177.734 176.117 -0.006 0.000 1.225 467 I CA 2.245 63.542 61.300 -0.005 0.000 1.442 467 I CB -0.625 37.372 38.000 -0.004 0.000 1.334 467 I HN 1.042 nan 8.210 nan 0.000 0.550 468 G N 3.911 112.709 108.800 -0.004 0.000 2.205 468 G HA2 -0.276 3.685 3.960 0.001 0.000 0.261 468 G HA3 -0.276 3.685 3.960 0.001 0.000 0.261 468 G C 0.373 175.271 174.900 -0.005 0.000 0.980 468 G CA -0.002 45.096 45.100 -0.003 0.000 0.632 468 G HN 0.581 nan 8.290 nan 0.000 0.533 469 N N 1.372 120.068 118.700 -0.007 0.000 2.492 469 N HA 0.605 5.346 4.740 0.001 0.000 0.289 469 N C -2.452 173.054 175.510 -0.006 0.000 1.133 469 N CA -1.573 51.472 53.050 -0.009 0.000 0.961 469 N CB 0.623 39.102 38.487 -0.014 0.000 1.186 469 N HN 0.038 nan 8.380 nan 0.000 0.493 470 P HA 0.165 nan 4.420 nan 0.000 0.266 470 P C -2.336 174.963 177.300 -0.002 0.000 1.193 470 P CA -0.430 62.669 63.100 -0.002 0.000 0.770 470 P CB -0.279 31.419 31.700 -0.003 0.000 0.836 471 P HA 0.038 nan 4.420 nan 0.000 0.269 471 P C -0.766 176.540 177.300 0.010 0.000 1.209 471 P CA 0.090 63.198 63.100 0.012 0.000 0.776 471 P CB 0.449 32.164 31.700 0.026 0.000 0.876 472 V N 2.719 122.636 119.914 0.006 0.000 2.384 472 V HA 0.340 4.461 4.120 0.001 0.000 0.287 472 V C 0.210 176.329 176.094 0.041 0.000 1.020 472 V CA -0.404 61.901 62.300 0.008 0.000 0.850 472 V CB 1.150 32.957 31.823 -0.026 0.000 0.987 472 V HN 0.774 nan 8.190 nan 0.000 0.436 473 S N 6.012 121.749 115.700 0.063 0.000 2.576 473 S HA 0.076 4.547 4.470 0.001 0.000 0.272 473 S C 0.966 175.648 174.600 0.137 0.000 1.352 473 S CA 0.290 58.554 58.200 0.105 0.000 1.021 473 S CB 1.039 64.307 63.200 0.113 0.000 0.887 473 S HN 0.916 nan 8.310 nan 0.000 0.542 474 L N 2.042 123.393 121.223 0.213 0.000 2.056 474 L HA 0.068 4.409 4.340 0.001 0.000 0.207 474 L C 2.175 179.230 176.870 0.309 0.000 1.078 474 L CA 1.604 56.628 54.840 0.306 0.000 0.749 474 L CB -1.188 41.089 42.059 0.365 0.000 0.901 474 L HN 0.852 nan 8.230 nan 0.000 0.433 475 L N -0.374 120.970 121.223 0.202 0.000 1.971 475 L HA -0.267 4.073 4.340 0.001 0.000 0.215 475 L C 2.552 179.420 176.870 -0.004 0.000 1.072 475 L CA 2.341 57.084 54.840 -0.162 0.000 0.758 475 L CB -1.063 40.738 42.059 -0.430 0.000 0.889 475 L HN 0.479 nan 8.230 nan 0.000 0.433 476 Q N -0.837 118.976 119.800 0.023 0.000 2.079 476 Q HA -0.242 4.099 4.340 0.001 0.000 0.200 476 Q C 2.311 178.322 176.000 0.017 0.000 0.974 476 Q CA 1.923 57.729 55.803 0.004 0.000 0.840 476 Q CB -0.425 28.306 28.738 -0.012 0.000 0.898 476 Q HN 0.634 nan 8.270 nan 0.000 0.430 477 Q N -0.803 119.030 119.800 0.055 0.000 2.170 477 Q HA -0.091 4.249 4.340 0.001 0.000 0.203 477 Q C 2.002 178.078 176.000 0.126 0.000 0.976 477 Q CA 1.832 57.667 55.803 0.053 0.000 0.858 477 Q CB -0.721 28.044 28.738 0.044 0.000 0.907 477 Q HN 0.529 nan 8.270 nan 0.000 0.433 478 C N -0.645 118.769 119.300 0.191 0.000 2.429 478 C HA -0.102 4.359 4.460 0.001 0.000 0.277 478 C C 2.525 177.585 174.990 0.117 0.000 1.262 478 C CA 1.421 60.561 59.018 0.203 0.000 1.733 478 C CB -1.170 26.716 27.740 0.243 0.000 2.010 478 C HN 0.603 nan 8.230 nan 0.000 0.483 479 T N 1.308 115.912 114.554 0.084 0.000 2.737 479 T HA -0.126 4.225 4.350 0.001 0.000 0.265 479 T C 1.610 176.238 174.700 -0.119 0.000 1.038 479 T CA 1.340 63.457 62.100 0.030 0.000 1.144 479 T CB -0.435 68.470 68.868 0.062 0.000 0.866 479 T HN 0.461 nan 8.240 nan 0.000 0.434 480 N N 1.560 120.195 118.700 -0.108 0.000 2.091 480 N HA -0.104 4.637 4.740 0.001 0.000 0.193 480 N C 1.693 177.121 175.510 -0.137 0.000 1.021 480 N CA 0.986 53.944 53.050 -0.152 0.000 0.862 480 N CB -0.514 37.914 38.487 -0.098 0.000 1.018 480 N HN 0.273 nan 8.380 nan 0.000 0.429 481 I N 1.036 121.578 120.570 -0.048 0.000 2.335 481 I HA -0.191 3.980 4.170 0.001 0.000 0.251 481 I C 2.077 178.179 176.117 -0.024 0.000 1.129 481 I CA 0.680 61.977 61.300 -0.003 0.000 1.402 481 I CB -1.359 36.688 38.000 0.078 0.000 1.069 481 I HN 0.146 nan 8.210 nan 0.000 0.424 482 L N 0.600 121.780 121.223 -0.072 0.000 2.191 482 L HA -0.150 4.191 4.340 0.001 0.000 0.212 482 L C 2.095 178.960 176.870 -0.009 0.000 1.103 482 L CA 1.401 56.237 54.840 -0.008 0.000 0.769 482 L CB -0.614 41.468 42.059 0.038 0.000 0.908 482 L HN 0.321 nan 8.230 nan 0.000 0.438 483 S N -2.347 113.198 115.700 -0.258 0.000 2.557 483 S HA 0.060 4.531 4.470 0.001 0.000 0.223 483 S C 1.272 175.870 174.600 -0.004 0.000 0.969 483 S CA -0.346 57.800 58.200 -0.091 0.000 0.927 483 S CB 0.285 63.312 63.200 -0.287 0.000 0.806 483 S HN 0.402 nan 8.310 nan 0.000 0.489 484 Q N 0.972 120.765 119.800 -0.012 0.000 2.204 484 Q HA 0.359 4.700 4.340 0.001 0.000 0.209 484 Q C 0.749 176.762 176.000 0.022 0.000 0.861 484 Q CA 0.053 55.855 55.803 -0.002 0.000 0.971 484 Q CB 0.338 29.067 28.738 -0.016 0.000 1.095 484 Q HN 0.726 nan 8.270 nan 0.000 0.486 485 G N 1.360 110.185 108.800 0.042 0.000 2.176 485 G HA2 -0.292 3.669 3.960 0.001 0.000 0.252 485 G HA3 -0.292 3.669 3.960 0.001 0.000 0.252 485 G C 0.108 175.030 174.900 0.038 0.000 1.024 485 G CA 0.339 45.464 45.100 0.041 0.000 0.755 485 G HN 0.403 nan 8.290 nan 0.000 0.507 486 S N -0.391 115.336 115.700 0.045 0.000 2.593 486 S HA 0.541 5.011 4.470 0.001 0.000 0.269 486 S C 0.661 175.285 174.600 0.039 0.000 1.334 486 S CA -0.483 57.743 58.200 0.044 0.000 1.015 486 S CB 1.601 64.834 63.200 0.054 0.000 0.912 486 S HN 0.445 nan 8.310 nan 0.000 0.541 487 K N 0.513 120.931 120.400 0.031 0.000 2.380 487 K HA 0.039 4.360 4.320 0.001 0.000 0.267 487 K C 1.504 178.117 176.600 0.022 0.000 0.990 487 K CA -0.075 56.223 56.287 0.018 0.000 0.946 487 K CB 0.185 32.689 32.500 0.007 0.000 0.937 487 K HN 0.671 nan 8.250 nan 0.000 0.491 488 I N 0.166 120.740 120.570 0.007 0.000 2.226 488 I HA -0.316 3.855 4.170 0.001 0.000 0.245 488 I C 2.459 178.580 176.117 0.007 0.000 1.100 488 I CA 1.359 62.662 61.300 0.006 0.000 1.374 488 I CB -0.650 37.343 38.000 -0.011 0.000 1.057 488 I HN 0.666 nan 8.210 nan 0.000 0.413 489 Q N 0.812 120.610 119.800 -0.004 0.000 2.124 489 Q HA -0.198 4.143 4.340 0.001 0.000 0.202 489 Q C 2.122 178.197 176.000 0.126 0.000 0.977 489 Q CA 2.513 58.333 55.803 0.027 0.000 0.850 489 Q CB -0.218 28.491 28.738 -0.049 0.000 0.901 489 Q HN 0.658 nan 8.270 nan 0.000 0.429 490 T N 0.364 114.967 114.554 0.081 0.000 2.746 490 T HA -0.126 4.225 4.350 0.001 0.000 0.267 490 T C 1.672 176.410 174.700 0.064 0.000 1.039 490 T CA 1.445 63.596 62.100 0.085 0.000 1.142 490 T CB -0.109 68.798 68.868 0.066 0.000 0.866 490 T HN 0.327 nan 8.240 nan 0.000 0.444 491 R N 0.107 120.639 120.500 0.054 0.000 2.119 491 R HA 0.072 4.413 4.340 0.001 0.000 0.222 491 R C 2.487 178.793 176.300 0.009 0.000 1.088 491 R CA 0.507 56.635 56.100 0.046 0.000 0.984 491 R CB -0.381 29.960 30.300 0.068 0.000 0.884 491 R HN 0.225 nan 8.270 nan 0.000 0.447 492 V N 0.310 120.223 119.914 -0.001 0.000 2.261 492 V HA -0.190 3.931 4.120 0.001 0.000 0.246 492 V C 2.415 178.415 176.094 -0.157 0.000 1.047 492 V CA 2.223 64.483 62.300 -0.067 0.000 1.015 492 V CB -1.011 30.782 31.823 -0.049 0.000 0.642 492 V HN 0.520 nan 8.190 nan 0.000 0.446 493 G N -0.190 108.533 108.800 -0.127 0.000 2.491 493 G HA2 -0.271 3.690 3.960 0.001 0.000 0.218 493 G HA3 -0.271 3.690 3.960 0.001 0.000 0.218 493 G C 1.603 176.335 174.900 -0.280 0.000 1.180 493 G CA 1.306 46.158 45.100 -0.413 0.000 0.774 493 G HN 0.459 nan 8.290 nan 0.000 0.562 494 L N -0.304 120.846 121.223 -0.122 0.000 2.083 494 L HA 0.019 4.360 4.340 0.001 0.000 0.209 494 L C 2.908 179.755 176.870 -0.039 0.000 1.083 494 L CA 0.477 55.288 54.840 -0.048 0.000 0.752 494 L CB -0.297 41.778 42.059 0.025 0.000 0.899 494 L HN 0.194 nan 8.230 nan 0.000 0.433 495 L N -1.247 119.938 121.223 -0.063 0.000 2.156 495 L HA -0.173 4.167 4.340 0.001 0.000 0.208 495 L C 2.611 179.388 176.870 -0.155 0.000 1.095 495 L CA 0.978 55.786 54.840 -0.053 0.000 0.770 495 L CB -0.257 41.792 42.059 -0.016 0.000 0.914 495 L HN 0.271 nan 8.230 nan 0.000 0.439 496 M N -0.855 118.524 119.600 -0.367 0.000 2.117 496 M HA -0.237 4.244 4.480 0.001 0.000 0.262 496 M C 2.325 178.493 176.300 -0.220 0.000 1.065 496 M CA 1.595 56.520 55.300 -0.624 0.000 1.114 496 M CB -0.436 31.613 32.600 -0.918 0.000 1.361 496 M HN 0.252 nan 8.290 nan 0.000 0.408 497 L N 0.999 122.132 121.223 -0.149 0.000 1.989 497 L HA -0.188 4.153 4.340 0.001 0.000 0.211 497 L C 2.085 179.039 176.870 0.140 0.000 1.071 497 L CA 1.937 56.773 54.840 -0.006 0.000 0.749 497 L CB -0.862 41.198 42.059 0.002 0.000 0.890 497 L HN 0.247 nan 8.230 nan 0.000 0.431 498 L N -1.364 119.934 121.223 0.125 0.000 2.046 498 L HA -0.291 4.050 4.340 0.001 0.000 0.208 498 L C 2.654 179.565 176.870 0.069 0.000 1.077 498 L CA 1.546 56.458 54.840 0.119 0.000 0.747 498 L CB -0.761 41.304 42.059 0.011 0.000 0.896 498 L HN 0.429 nan 8.230 nan 0.000 0.432 499 C N -0.701 118.646 119.300 0.078 0.000 2.413 499 C HA -0.184 4.276 4.460 0.001 0.000 0.276 499 C C 2.950 178.035 174.990 0.158 0.000 1.236 499 C CA 1.512 60.613 59.018 0.138 0.000 1.735 499 C CB -0.950 26.972 27.740 0.303 0.000 2.031 499 C HN 0.540 nan 8.230 nan 0.000 0.474 500 T N -0.547 114.114 114.554 0.179 0.000 2.708 500 T HA -0.202 4.149 4.350 0.001 0.000 0.266 500 T C 1.606 176.386 174.700 0.134 0.000 1.037 500 T CA 1.480 63.660 62.100 0.133 0.000 1.146 500 T CB -0.358 68.566 68.868 0.093 0.000 0.865 500 T HN 0.674 nan 8.240 nan 0.000 0.435 501 W N 1.377 122.650 121.300 -0.044 0.000 2.321 501 W HA -0.068 4.592 4.660 0.001 0.000 0.306 501 W C 1.714 178.181 176.519 -0.087 0.000 1.217 501 W CA 0.849 58.159 57.345 -0.059 0.000 1.257 501 W CB -0.857 28.576 29.460 -0.044 0.000 1.145 501 W HN 0.203 nan 8.180 nan 0.000 0.509 502 L N 0.770 122.063 121.223 0.117 0.000 2.375 502 L HA 0.009 4.350 4.340 0.001 0.000 0.215 502 L C 1.553 178.346 176.870 -0.129 0.000 1.108 502 L CA 0.880 55.696 54.840 -0.040 0.000 0.830 502 L CB -1.061 40.922 42.059 -0.126 0.000 0.959 502 L HN -0.187 nan 8.230 nan 0.000 0.457 503 S N -0.228 115.381 115.700 -0.152 0.000 2.549 503 S HA 0.076 4.546 4.470 0.001 0.000 0.283 503 S C 0.660 174.838 174.600 -0.702 0.000 1.320 503 S CA -0.206 57.712 58.200 -0.470 0.000 1.058 503 S CB -0.070 63.032 63.200 -0.162 0.000 0.882 503 S HN 0.434 nan 8.310 nan 0.000 0.498 504 N N -0.732 117.034 118.700 -1.556 0.000 2.708 504 N HA -0.187 4.554 4.740 0.001 0.000 0.249 504 N C -0.578 174.725 175.510 -0.345 0.000 1.097 504 N CA 1.116 53.683 53.050 -0.805 0.000 0.710 504 N CB -1.728 36.557 38.487 -0.337 0.000 1.032 504 N HN 0.745 nan 8.380 nan 0.000 0.551 505 C N -0.540 118.583 119.300 -0.295 0.000 3.328 505 C HA 0.376 4.836 4.460 0.001 0.000 0.230 505 C C -1.410 173.572 174.990 -0.014 0.000 1.232 505 C CA -1.729 57.239 59.018 -0.084 0.000 1.431 505 C CB 0.429 28.161 27.740 -0.013 0.000 1.818 505 C HN 0.196 nan 8.230 nan 0.000 0.484 506 P HA -0.168 nan 4.420 nan 0.000 0.217 506 P C 1.652 179.005 177.300 0.088 0.000 1.148 506 P CA 1.645 64.798 63.100 0.088 0.000 0.828 506 P CB -0.047 31.706 31.700 0.089 0.000 0.783 507 I N -1.852 118.763 120.570 0.074 0.000 2.394 507 I HA -0.092 4.078 4.170 0.001 0.000 0.251 507 I C 2.025 178.211 176.117 0.114 0.000 1.136 507 I CA 1.619 62.981 61.300 0.105 0.000 1.425 507 I CB -2.262 35.781 38.000 0.072 0.000 1.079 507 I HN -0.138 nan 8.210 nan 0.000 0.425 508 A N 1.522 124.364 122.820 0.036 0.000 1.968 508 A HA -0.004 4.317 4.320 0.001 0.000 0.217 508 A C 2.498 180.098 177.584 0.026 0.000 1.169 508 A CA 1.292 53.306 52.037 -0.038 0.000 0.638 508 A CB -0.859 18.084 19.000 -0.095 0.000 0.812 508 A HN 0.260 nan 8.150 nan 0.000 0.446 509 V N -0.127 119.826 119.914 0.065 0.000 2.490 509 V HA -0.204 3.916 4.120 0.001 0.000 0.250 509 V C 2.653 178.862 176.094 0.191 0.000 1.061 509 V CA 2.367 64.739 62.300 0.120 0.000 1.064 509 V CB -1.162 30.742 31.823 0.135 0.000 0.670 509 V HN 0.589 nan 8.190 nan 0.000 0.461 510 T N -1.141 113.520 114.554 0.179 0.000 2.770 510 T HA -0.170 4.181 4.350 0.001 0.000 0.263 510 T C 1.842 176.645 174.700 0.172 0.000 1.039 510 T CA 1.727 63.927 62.100 0.168 0.000 1.142 510 T CB -0.319 68.624 68.868 0.125 0.000 0.868 510 T HN 0.536 nan 8.240 nan 0.000 0.435 511 H N -0.174 118.930 119.070 0.057 0.000 2.422 511 H HA 0.015 4.572 4.556 0.002 0.000 0.298 511 H C 1.731 177.117 175.328 0.096 0.000 1.098 511 H CA 1.287 57.361 56.048 0.044 0.000 1.315 511 H CB -0.399 29.356 29.762 -0.012 0.000 1.382 511 H HN 0.334 nan 8.280 nan 0.000 0.523 512 F N 0.345 120.329 119.950 0.056 0.000 2.128 512 F HA -0.069 4.460 4.527 0.003 0.000 0.295 512 F C 1.896 177.715 175.800 0.032 0.000 1.100 512 F CA 1.006 59.002 58.000 -0.006 0.000 1.260 512 F CB -0.302 38.665 39.000 -0.055 0.000 1.009 512 F HN 0.030 nan 8.300 nan 0.000 0.476 513 L N -0.517 120.806 121.223 0.166 0.000 2.141 513 L HA -0.232 4.109 4.340 0.001 0.000 0.209 513 L C 2.650 179.589 176.870 0.115 0.000 1.094 513 L CA 1.456 56.348 54.840 0.086 0.000 0.763 513 L CB -1.167 41.025 42.059 0.222 0.000 0.908 513 L HN 0.314 nan 8.230 nan 0.000 0.437 514 H N 0.583 119.667 119.070 0.023 0.000 2.390 514 H HA -0.155 4.402 4.556 0.001 0.000 0.298 514 H C 1.020 176.330 175.328 -0.029 0.000 1.106 514 H CA 0.821 56.868 56.048 -0.002 0.000 1.297 514 H CB 0.179 29.901 29.762 -0.068 0.000 1.375 514 H HN 0.222 nan 8.280 nan 0.000 0.509 515 N N 1.179 119.804 118.700 -0.124 0.000 2.431 515 N HA -0.082 4.659 4.740 0.001 0.000 0.265 515 N C 1.060 176.480 175.510 -0.150 0.000 1.184 515 N CA 0.623 53.560 53.050 -0.188 0.000 0.943 515 N CB 0.908 39.290 38.487 -0.176 0.000 1.080 515 N HN 0.383 nan 8.380 nan 0.000 0.477 516 S N 2.904 118.539 115.700 -0.107 0.000 2.474 516 S HA -0.094 4.377 4.470 0.001 0.000 0.235 516 S C 1.711 176.316 174.600 0.009 0.000 0.997 516 S CA 0.713 58.920 58.200 0.013 0.000 0.949 516 S CB -0.058 63.131 63.200 -0.019 0.000 0.766 516 S HN 0.570 nan 8.310 nan 0.000 0.517 517 A N 2.182 124.968 122.820 -0.057 0.000 2.119 517 A HA 0.055 4.375 4.320 0.001 0.000 0.217 517 A C 2.032 179.587 177.584 -0.049 0.000 1.153 517 A CA 0.948 52.961 52.037 -0.040 0.000 0.692 517 A CB -0.514 18.449 19.000 -0.062 0.000 0.799 517 A HN 0.524 nan 8.150 nan 0.000 0.458 518 N N 0.212 118.809 118.700 -0.172 0.000 2.135 518 N HA -0.096 4.645 4.740 0.001 0.000 0.186 518 N C 1.665 177.124 175.510 -0.086 0.000 1.027 518 N CA 1.560 54.460 53.050 -0.251 0.000 0.849 518 N CB -0.512 37.478 38.487 -0.828 0.000 1.002 518 N HN 0.236 nan 8.380 nan 0.000 0.425 519 V N 1.953 121.750 119.914 -0.194 0.000 2.358 519 V HA -0.101 4.020 4.120 0.001 0.000 0.246 519 V C -0.829 175.231 176.094 -0.058 0.000 1.047 519 V CA 1.549 63.728 62.300 -0.200 0.000 1.035 519 V CB -1.255 30.163 31.823 -0.674 0.000 0.658 519 V HN 0.219 nan 8.190 nan 0.000 0.452 520 P HA -0.166 nan 4.420 nan 0.000 0.218 520 P C 1.659 178.999 177.300 0.067 0.000 1.149 520 P CA 1.308 64.434 63.100 0.044 0.000 0.817 520 P CB -0.103 31.638 31.700 0.069 0.000 0.785 521 F N 0.187 120.127 119.950 -0.017 0.000 2.146 521 F HA -0.111 4.416 4.527 0.001 0.000 0.298 521 F C 1.862 177.680 175.800 0.031 0.000 1.096 521 F CA 1.376 59.379 58.000 0.005 0.000 1.275 521 F CB -0.820 38.179 39.000 -0.001 0.000 1.008 521 F HN -0.266 nan 8.300 nan 0.000 0.480 522 L N 0.139 121.327 121.223 -0.058 0.000 2.027 522 L HA -0.191 4.150 4.340 0.001 0.000 0.206 522 L C 2.754 179.548 176.870 -0.126 0.000 1.074 522 L CA 1.861 56.629 54.840 -0.120 0.000 0.745 522 L CB -1.462 40.667 42.059 0.116 0.000 0.898 522 L HN 0.339 nan 8.230 nan 0.000 0.433 523 T N -2.481 112.039 114.554 -0.057 0.000 2.720 523 T HA -0.156 4.195 4.350 0.001 0.000 0.268 523 T C 1.944 176.605 174.700 -0.065 0.000 1.037 523 T CA 1.225 63.304 62.100 -0.035 0.000 1.144 523 T CB -1.090 67.765 68.868 -0.021 0.000 0.864 523 T HN 0.401 nan 8.240 nan 0.000 0.444 524 G N 1.107 109.842 108.800 -0.107 0.000 2.446 524 G HA2 -0.229 3.732 3.960 0.001 0.000 0.217 524 G HA3 -0.229 3.732 3.960 0.001 0.000 0.217 524 G C 1.769 176.570 174.900 -0.165 0.000 1.168 524 G CA 0.760 45.787 45.100 -0.121 0.000 0.771 524 G HN 0.478 nan 8.290 nan 0.000 0.551 525 Q N 0.022 119.637 119.800 -0.308 0.000 2.124 525 Q HA 0.018 4.359 4.340 0.001 0.000 0.202 525 Q C 2.729 178.660 176.000 -0.114 0.000 0.977 525 Q CA 0.826 56.471 55.803 -0.263 0.000 0.850 525 Q CB -0.147 28.336 28.738 -0.425 0.000 0.901 525 Q HN 0.605 nan 8.270 nan 0.000 0.429 526 I N 0.144 120.663 120.570 -0.084 0.000 2.406 526 I HA -0.147 4.024 4.170 0.001 0.000 0.249 526 I C 2.187 178.301 176.117 -0.005 0.000 1.122 526 I CA 0.826 62.112 61.300 -0.024 0.000 1.431 526 I CB -0.264 37.754 38.000 0.028 0.000 1.087 526 I HN 0.004 nan 8.210 nan 0.000 0.424 527 A N -0.019 122.795 122.820 -0.010 0.000 2.067 527 A HA -0.071 4.250 4.320 0.001 0.000 0.217 527 A C 1.200 178.787 177.584 0.005 0.000 1.156 527 A CA 0.425 52.464 52.037 0.003 0.000 0.683 527 A CB -0.290 18.710 19.000 -0.001 0.000 0.808 527 A HN 0.304 nan 8.150 nan 0.000 0.455 528 E N 0.630 120.826 120.200 -0.006 0.000 2.404 528 E HA 0.078 4.428 4.350 0.001 0.000 0.261 528 E C -0.053 176.561 176.600 0.023 0.000 1.074 528 E CA -0.266 56.136 56.400 0.003 0.000 0.917 528 E CB 0.251 29.945 29.700 -0.011 0.000 0.965 528 E HN 0.213 nan 8.360 nan 0.000 0.433 529 N N 3.725 122.440 118.700 0.024 0.000 3.178 529 N HA 0.097 4.838 4.740 0.001 0.000 0.300 529 N C -0.945 174.585 175.510 0.033 0.000 1.242 529 N CA 0.012 53.082 53.050 0.034 0.000 1.192 529 N CB -0.696 37.807 38.487 0.026 0.000 1.463 529 N HN 0.408 nan 8.380 nan 0.000 0.539 530 L N -0.049 121.199 121.223 0.042 0.000 2.452 530 L HA 0.355 4.696 4.340 0.001 0.000 0.267 530 L C 1.565 178.452 176.870 0.029 0.000 1.188 530 L CA -0.586 54.275 54.840 0.036 0.000 0.821 530 L CB 0.652 42.737 42.059 0.043 0.000 1.102 530 L HN 0.268 nan 8.230 nan 0.000 0.470 531 G N 0.212 109.020 108.800 0.014 0.000 2.580 531 G HA2 0.100 4.061 3.960 0.001 0.000 0.278 531 G HA3 0.100 4.061 3.960 0.001 0.000 0.278 531 G C 0.562 175.450 174.900 -0.019 0.000 1.212 531 G CA -0.329 44.769 45.100 -0.004 0.000 0.939 531 G HN 0.838 nan 8.290 nan 0.000 0.513 532 E N -0.242 119.933 120.200 -0.043 0.000 2.118 532 E HA -0.201 4.150 4.350 0.001 0.000 0.195 532 E C 2.197 178.769 176.600 -0.047 0.000 0.992 532 E CA 1.601 57.956 56.400 -0.075 0.000 0.804 532 E CB 0.048 29.696 29.700 -0.087 0.000 0.741 532 E HN 0.614 nan 8.360 nan 0.000 0.458 533 E N 0.495 120.680 120.200 -0.025 0.000 2.472 533 E HA -0.211 4.140 4.350 0.001 0.000 0.200 533 E C 0.929 177.536 176.600 0.011 0.000 1.046 533 E CA 1.076 57.471 56.400 -0.009 0.000 0.871 533 E CB 0.146 29.837 29.700 -0.015 0.000 0.806 533 E HN 0.338 nan 8.360 nan 0.000 0.533 534 E N -0.272 119.938 120.200 0.016 0.000 2.630 534 E HA 0.116 4.467 4.350 0.001 0.000 0.218 534 E C 1.414 178.053 176.600 0.065 0.000 0.977 534 E CA -0.071 56.352 56.400 0.037 0.000 1.038 534 E CB 0.447 30.168 29.700 0.035 0.000 1.051 534 E HN 0.180 nan 8.360 nan 0.000 0.487 535 Q N -0.089 119.744 119.800 0.055 0.000 2.245 535 Q HA -0.080 4.260 4.340 0.001 0.000 0.201 535 Q C 1.811 177.950 176.000 0.231 0.000 0.955 535 Q CA 0.607 56.480 55.803 0.116 0.000 0.870 535 Q CB 0.148 28.792 28.738 -0.157 0.000 0.945 535 Q HN 0.257 nan 8.270 nan 0.000 0.461 536 L N 0.225 121.555 121.223 0.179 0.000 1.989 536 L HA -0.192 4.149 4.340 0.001 0.000 0.211 536 L C 2.071 179.013 176.870 0.119 0.000 1.071 536 L CA 1.657 56.601 54.840 0.173 0.000 0.749 536 L CB -0.756 41.329 42.059 0.044 0.000 0.890 536 L HN -0.000 nan 8.230 nan 0.000 0.431 537 V N -0.377 119.583 119.914 0.076 0.000 2.380 537 V HA -0.380 3.741 4.120 0.001 0.000 0.251 537 V C 2.634 178.778 176.094 0.082 0.000 1.063 537 V CA 2.167 64.508 62.300 0.067 0.000 1.055 537 V CB -0.708 31.153 31.823 0.063 0.000 0.657 537 V HN 0.662 nan 8.190 nan 0.000 0.455 538 Q N -0.221 119.641 119.800 0.103 0.000 2.079 538 Q HA -0.130 4.211 4.340 0.001 0.000 0.200 538 Q C 2.278 178.307 176.000 0.049 0.000 0.974 538 Q CA 1.785 57.637 55.803 0.083 0.000 0.840 538 Q CB -0.416 28.409 28.738 0.145 0.000 0.898 538 Q HN 0.664 nan 8.270 nan 0.000 0.430 539 G N 0.402 109.268 108.800 0.110 0.000 2.422 539 G HA2 -0.184 3.777 3.960 0.001 0.000 0.218 539 G HA3 -0.184 3.777 3.960 0.001 0.000 0.218 539 G C 1.313 176.228 174.900 0.025 0.000 1.140 539 G CA 0.426 45.533 45.100 0.012 0.000 0.775 539 G HN 0.272 nan 8.290 nan 0.000 0.545 540 L N 0.120 121.399 121.223 0.094 0.000 2.093 540 L HA -0.064 4.277 4.340 0.001 0.000 0.208 540 L C 2.922 179.844 176.870 0.085 0.000 1.085 540 L CA 0.513 55.425 54.840 0.119 0.000 0.755 540 L CB -0.426 41.696 42.059 0.104 0.000 0.904 540 L HN 0.213 nan 8.230 nan 0.000 0.435 541 C N -0.284 119.055 119.300 0.066 0.000 2.422 541 C HA -0.142 4.319 4.460 0.001 0.000 0.279 541 C C 3.114 178.145 174.990 0.068 0.000 1.305 541 C CA 0.658 59.720 59.018 0.073 0.000 1.757 541 C CB -1.132 26.628 27.740 0.034 0.000 1.962 541 C HN 0.613 nan 8.230 nan 0.000 0.499 542 A N 0.412 123.226 122.820 -0.011 0.000 1.855 542 A HA -0.122 4.199 4.320 0.001 0.000 0.215 542 A C 2.033 179.603 177.584 -0.022 0.000 1.191 542 A CA 1.654 53.632 52.037 -0.099 0.000 0.613 542 A CB -0.853 17.822 19.000 -0.541 0.000 0.829 542 A HN 0.445 nan 8.150 nan 0.000 0.442 543 L N -0.669 120.525 121.223 -0.049 0.000 2.034 543 L HA -0.222 4.119 4.340 0.001 0.000 0.217 543 L C 2.301 179.232 176.870 0.102 0.000 1.077 543 L CA 2.377 57.240 54.840 0.038 0.000 0.769 543 L CB -0.659 41.454 42.059 0.090 0.000 0.890 543 L HN 0.385 nan 8.230 nan 0.000 0.435 544 L N -1.253 120.026 121.223 0.093 0.000 2.017 544 L HA -0.187 4.154 4.340 0.001 0.000 0.208 544 L C 2.347 179.257 176.870 0.066 0.000 1.073 544 L CA 1.902 56.769 54.840 0.045 0.000 0.745 544 L CB -0.957 41.104 42.059 0.004 0.000 0.894 544 L HN 0.384 nan 8.230 nan 0.000 0.432 545 L N -0.194 121.114 121.223 0.143 0.000 2.042 545 L HA -0.062 4.279 4.340 0.001 0.000 0.210 545 L C 2.342 179.317 176.870 0.174 0.000 1.076 545 L CA 2.090 57.031 54.840 0.168 0.000 0.749 545 L CB -1.384 40.808 42.059 0.222 0.000 0.893 545 L HN 0.349 nan 8.230 nan 0.000 0.432 546 G N -0.610 108.361 108.800 0.286 0.000 2.422 546 G HA2 -0.239 3.722 3.960 0.001 0.000 0.218 546 G HA3 -0.239 3.722 3.960 0.001 0.000 0.218 546 G C 1.651 176.655 174.900 0.174 0.000 1.146 546 G CA 1.040 46.291 45.100 0.252 0.000 0.769 546 G HN 0.466 nan 8.290 nan 0.000 0.547 547 I N 1.758 122.441 120.570 0.188 0.000 2.286 547 I HA -0.184 3.987 4.170 0.001 0.000 0.248 547 I C 2.975 179.270 176.117 0.296 0.000 1.115 547 I CA 1.526 63.007 61.300 0.301 0.000 1.392 547 I CB -0.120 38.043 38.000 0.271 0.000 1.065 547 I HN 0.332 nan 8.210 nan 0.000 0.418 548 S N 0.132 115.930 115.700 0.162 0.000 2.561 548 S HA 0.060 4.531 4.470 0.001 0.000 0.225 548 S C 1.700 176.375 174.600 0.126 0.000 0.977 548 S CA 0.392 58.676 58.200 0.141 0.000 0.926 548 S CB -0.389 62.878 63.200 0.112 0.000 0.769 548 S HN 0.412 nan 8.310 nan 0.000 0.533 549 I N -0.622 120.012 120.570 0.107 0.000 2.556 549 I HA 0.091 4.262 4.170 0.001 0.000 0.251 549 I C 2.312 178.458 176.117 0.047 0.000 1.105 549 I CA 0.683 62.019 61.300 0.059 0.000 1.436 549 I CB -0.275 37.733 38.000 0.014 0.000 1.139 549 I HN 0.248 nan 8.210 nan 0.000 0.438 550 Y N 1.107 121.346 120.300 -0.101 0.000 2.263 550 Y HA -0.119 4.432 4.550 0.003 0.000 0.292 550 Y C 1.377 177.045 175.900 -0.387 0.000 1.130 550 Y CA 1.512 59.432 58.100 -0.299 0.000 1.179 550 Y CB 0.015 38.185 38.460 -0.485 0.000 0.998 550 Y HN 0.017 nan 8.280 nan 0.000 0.532 551 F N 0.234 120.215 119.950 0.051 0.000 2.730 551 F HA 0.211 4.738 4.527 0.000 0.000 0.295 551 F C 0.488 176.283 175.800 -0.008 0.000 1.143 551 F CA -0.532 57.457 58.000 -0.019 0.000 1.367 551 F CB -0.564 38.479 39.000 0.072 0.000 0.970 551 F HN -0.078 nan 8.300 nan 0.000 0.514 552 N N 1.847 120.604 118.700 0.095 0.000 2.520 552 N HA -0.013 4.728 4.740 0.001 0.000 0.273 552 N C 0.372 175.906 175.510 0.040 0.000 1.155 552 N CA 0.373 53.471 53.050 0.081 0.000 0.967 552 N CB 0.961 39.486 38.487 0.064 0.000 1.092 552 N HN 0.247 nan 8.380 nan 0.000 0.457 553 D N 1.291 121.724 120.400 0.054 0.000 2.431 553 D HA 0.052 4.693 4.640 0.001 0.000 0.213 553 D C -0.265 176.052 176.300 0.029 0.000 1.130 553 D CA -0.119 53.901 54.000 0.033 0.000 0.834 553 D CB -0.188 40.636 40.800 0.041 0.000 0.985 553 D HN 0.469 nan 8.370 nan 0.000 0.504 554 N N 0.258 118.981 118.700 0.039 0.000 2.800 554 N HA -0.203 4.538 4.740 0.001 0.000 0.250 554 N C 0.974 176.503 175.510 0.033 0.000 1.078 554 N CA 1.096 54.167 53.050 0.035 0.000 0.804 554 N CB -1.901 36.597 38.487 0.019 0.000 1.135 554 N HN 0.475 nan 8.380 nan 0.000 0.565 555 S N -1.203 114.520 115.700 0.039 0.000 2.453 555 S HA 0.021 4.492 4.470 0.001 0.000 0.231 555 S C 0.763 175.382 174.600 0.032 0.000 1.005 555 S CA 0.275 58.493 58.200 0.031 0.000 0.949 555 S CB 0.359 63.578 63.200 0.032 0.000 0.774 555 S HN 0.309 nan 8.310 nan 0.000 0.510 556 L N 2.039 123.292 121.223 0.051 0.000 2.277 556 L HA 0.467 4.807 4.340 0.001 0.000 0.284 556 L C 0.989 177.885 176.870 0.043 0.000 1.028 556 L CA -0.254 54.623 54.840 0.060 0.000 0.835 556 L CB 1.171 43.294 42.059 0.108 0.000 1.215 556 L HN 0.133 nan 8.230 nan 0.000 0.425 557 E N 0.946 121.152 120.200 0.010 0.000 2.110 557 E HA -0.220 4.131 4.350 0.001 0.000 0.193 557 E C 1.472 178.033 176.600 -0.063 0.000 0.988 557 E CA 1.641 58.031 56.400 -0.017 0.000 0.804 557 E CB 0.360 30.045 29.700 -0.025 0.000 0.745 557 E HN 0.919 nan 8.360 nan 0.000 0.458 558 T N -1.588 112.897 114.554 -0.116 0.000 2.720 558 T HA -0.210 4.141 4.350 0.001 0.000 0.268 558 T C 0.613 175.039 174.700 -0.457 0.000 1.037 558 T CA 1.105 63.014 62.100 -0.318 0.000 1.144 558 T CB -0.274 68.354 68.868 -0.400 0.000 0.864 558 T HN 0.136 nan 8.240 nan 0.000 0.444 559 Y N 1.138 121.448 120.300 0.015 0.000 2.658 559 Y HA 0.566 5.117 4.550 0.002 0.000 0.362 559 Y C 0.267 176.183 175.900 0.026 0.000 1.017 559 Y CA -1.442 56.670 58.100 0.021 0.000 1.134 559 Y CB 0.039 38.519 38.460 0.034 0.000 1.144 559 Y HN 0.176 nan 8.280 nan 0.000 0.655 560 M N 0.628 120.302 119.600 0.122 0.000 2.198 560 M HA 0.098 4.579 4.480 0.001 0.000 0.315 560 M C 1.879 178.225 176.300 0.077 0.000 1.134 560 M CA 0.110 55.458 55.300 0.080 0.000 1.171 560 M CB 0.998 33.620 32.600 0.037 0.000 1.413 560 M HN 0.485 nan 8.290 nan 0.000 0.467 561 K N 0.752 121.180 120.400 0.045 0.000 2.015 561 K HA -0.266 4.055 4.320 0.001 0.000 0.216 561 K C 1.660 178.267 176.600 0.012 0.000 1.052 561 K CA 2.222 58.522 56.287 0.022 0.000 0.937 561 K CB 0.002 32.501 32.500 -0.002 0.000 0.719 561 K HN 0.501 nan 8.250 nan 0.000 0.446 562 E N 0.579 120.784 120.200 0.010 0.000 2.152 562 E HA -0.103 4.247 4.350 0.001 0.000 0.192 562 E C 1.649 178.253 176.600 0.007 0.000 0.983 562 E CA 1.255 57.655 56.400 0.001 0.000 0.818 562 E CB 0.167 29.866 29.700 -0.001 0.000 0.758 562 E HN 0.180 nan 8.360 nan 0.000 0.467 563 K N 0.029 120.446 120.400 0.027 0.000 2.057 563 K HA -0.110 4.211 4.320 0.001 0.000 0.207 563 K C 2.239 178.872 176.600 0.055 0.000 1.049 563 K CA 1.001 57.314 56.287 0.044 0.000 0.931 563 K CB -0.337 32.202 32.500 0.065 0.000 0.714 563 K HN 0.254 nan 8.250 nan 0.000 0.440 564 L N 1.133 122.391 121.223 0.059 0.000 2.027 564 L HA -0.165 4.176 4.340 0.001 0.000 0.206 564 L C 2.408 179.237 176.870 -0.069 0.000 1.074 564 L CA 1.308 56.158 54.840 0.017 0.000 0.745 564 L CB -0.386 41.679 42.059 0.009 0.000 0.898 564 L HN 0.130 nan 8.230 nan 0.000 0.433 565 K N -0.189 120.165 120.400 -0.077 0.000 2.113 565 K HA -0.252 4.069 4.320 0.001 0.000 0.208 565 K C 2.159 178.697 176.600 -0.102 0.000 1.047 565 K CA 1.536 57.749 56.287 -0.123 0.000 0.928 565 K CB -0.175 32.274 32.500 -0.085 0.000 0.716 565 K HN 0.406 nan 8.250 nan 0.000 0.446 566 Q N 0.327 120.096 119.800 -0.053 0.000 2.123 566 Q HA -0.102 4.239 4.340 0.001 0.000 0.199 566 Q C 2.125 178.103 176.000 -0.036 0.000 0.966 566 Q CA 0.728 56.510 55.803 -0.036 0.000 0.845 566 Q CB -0.027 28.703 28.738 -0.013 0.000 0.907 566 Q HN 0.163 nan 8.270 nan 0.000 0.439 567 L N 0.745 121.951 121.223 -0.028 0.000 2.083 567 L HA -0.165 4.176 4.340 0.001 0.000 0.209 567 L C 1.905 178.739 176.870 -0.059 0.000 1.083 567 L CA 1.451 56.280 54.840 -0.018 0.000 0.752 567 L CB -0.201 41.867 42.059 0.015 0.000 0.899 567 L HN 0.216 nan 8.230 nan 0.000 0.433 568 I N -0.786 119.709 120.570 -0.124 0.000 2.179 568 I HA -0.301 3.870 4.170 0.001 0.000 0.242 568 I C 2.355 178.409 176.117 -0.105 0.000 1.088 568 I CA 1.439 62.631 61.300 -0.181 0.000 1.357 568 I CB -0.382 37.370 38.000 -0.414 0.000 1.051 568 I HN 0.340 nan 8.210 nan 0.000 0.409 569 E N 0.985 121.132 120.200 -0.088 0.000 2.058 569 E HA -0.264 4.087 4.350 0.001 0.000 0.194 569 E C 2.175 178.763 176.600 -0.020 0.000 0.997 569 E CA 1.386 57.761 56.400 -0.041 0.000 0.801 569 E CB -0.090 29.593 29.700 -0.029 0.000 0.746 569 E HN 0.442 nan 8.360 nan 0.000 0.450 570 K N 0.248 120.637 120.400 -0.019 0.000 1.978 570 K HA -0.118 4.202 4.320 0.001 0.000 0.214 570 K C 2.224 178.822 176.600 -0.003 0.000 1.049 570 K CA 1.213 57.496 56.287 -0.007 0.000 0.939 570 K CB 0.013 32.511 32.500 -0.003 0.000 0.721 570 K HN -0.077 nan 8.250 nan 0.000 0.441 571 R N 0.167 120.663 120.500 -0.007 0.000 2.189 571 R HA 0.128 4.468 4.340 0.001 0.000 0.203 571 R C 2.165 178.467 176.300 0.004 0.000 1.012 571 R CA 0.821 56.920 56.100 -0.000 0.000 1.015 571 R CB 0.084 30.383 30.300 -0.001 0.000 0.938 571 R HN 0.449 nan 8.270 nan 0.000 0.472 572 I N -3.280 117.293 120.570 0.005 0.000 4.530 572 I HA 0.328 4.499 4.170 0.001 0.000 0.318 572 I C 0.040 176.177 176.117 0.033 0.000 1.257 572 I CA 0.606 61.921 61.300 0.025 0.000 1.301 572 I CB 1.056 39.089 38.000 0.055 0.000 1.297 572 I HN 0.105 nan 8.210 nan 0.000 0.451 573 G N 2.916 111.728 108.800 0.020 0.000 3.039 573 G HA2 -0.180 3.781 3.960 0.001 0.000 0.686 573 G HA3 -0.180 3.781 3.960 0.001 0.000 0.686 573 G C -0.130 174.798 174.900 0.047 0.000 1.066 573 G CA 0.000 45.118 45.100 0.030 0.000 0.774 573 G HN 0.335 nan 8.290 nan 0.000 0.591 574 K N 0.825 121.246 120.400 0.035 0.000 2.001 574 K HA -0.073 4.248 4.320 0.001 0.000 0.208 574 K C 2.301 178.952 176.600 0.084 0.000 1.048 574 K CA 1.868 58.162 56.287 0.012 0.000 0.932 574 K CB -0.016 32.464 32.500 -0.033 0.000 0.715 574 K HN 0.721 nan 8.250 nan 0.000 0.437 575 E N 0.689 120.983 120.200 0.157 0.000 2.110 575 E HA -0.172 4.179 4.350 0.001 0.000 0.193 575 E C 1.950 178.603 176.600 0.089 0.000 0.988 575 E CA 0.607 57.118 56.400 0.186 0.000 0.804 575 E CB -0.054 29.752 29.700 0.176 0.000 0.745 575 E HN 0.261 nan 8.360 nan 0.000 0.458 576 N N 0.602 119.344 118.700 0.070 0.000 2.043 576 N HA -0.179 4.562 4.740 0.001 0.000 0.193 576 N C 1.767 177.268 175.510 -0.015 0.000 1.037 576 N CA 0.975 54.040 53.050 0.025 0.000 0.851 576 N CB -0.240 38.271 38.487 0.041 0.000 1.027 576 N HN 0.094 nan 8.380 nan 0.000 0.422 577 F N 1.803 121.686 119.950 -0.111 0.000 2.147 577 F HA -0.188 4.340 4.527 0.003 0.000 0.301 577 F C 2.062 177.756 175.800 -0.177 0.000 1.084 577 F CA 1.177 59.090 58.000 -0.144 0.000 1.268 577 F CB -0.106 38.811 39.000 -0.137 0.000 1.009 577 F HN 0.027 nan 8.300 nan 0.000 0.486 578 I N 0.299 120.779 120.570 -0.149 0.000 2.406 578 I HA -0.173 3.998 4.170 0.001 0.000 0.249 578 I C 2.368 178.330 176.117 -0.258 0.000 1.122 578 I CA 1.139 62.306 61.300 -0.221 0.000 1.431 578 I CB -1.492 36.490 38.000 -0.029 0.000 1.087 578 I HN 0.318 nan 8.210 nan 0.000 0.424 579 E N 1.351 121.419 120.200 -0.220 0.000 2.058 579 E HA -0.264 4.087 4.350 0.001 0.000 0.194 579 E C 1.984 178.124 176.600 -0.766 0.000 0.997 579 E CA 1.442 57.665 56.400 -0.295 0.000 0.801 579 E CB 0.227 29.832 29.700 -0.158 0.000 0.746 579 E HN 0.162 nan 8.360 nan 0.000 0.450 580 K N 0.703 120.588 120.400 -0.859 0.000 2.026 580 K HA -0.160 4.161 4.320 0.001 0.000 0.208 580 K C 2.195 178.341 176.600 -0.758 0.000 1.048 580 K CA 0.751 56.365 56.287 -1.121 0.000 0.929 580 K CB -0.931 31.208 32.500 -0.602 0.000 0.713 580 K HN 0.206 nan 8.250 nan 0.000 0.439 581 L N 0.736 121.577 121.223 -0.636 0.000 2.046 581 L HA -0.056 4.285 4.340 0.001 0.000 0.208 581 L C 1.973 178.675 176.870 -0.279 0.000 1.077 581 L CA 2.181 56.741 54.840 -0.467 0.000 0.747 581 L CB -0.979 40.748 42.059 -0.553 0.000 0.896 581 L HN 0.268 nan 8.230 nan 0.000 0.432 582 G N -1.457 107.178 108.800 -0.275 0.000 2.509 582 G HA2 -0.233 3.728 3.960 0.001 0.000 0.218 582 G HA3 -0.233 3.728 3.960 0.001 0.000 0.218 582 G C 1.469 176.398 174.900 0.049 0.000 1.124 582 G CA 0.519 45.547 45.100 -0.119 0.000 0.776 582 G HN 0.513 nan 8.290 nan 0.000 0.547 583 F N 0.372 120.290 119.950 -0.053 0.000 2.333 583 F HA 0.005 4.532 4.527 0.000 0.000 0.300 583 F C 2.448 178.275 175.800 0.044 0.000 1.083 583 F CA -0.122 57.879 58.000 0.003 0.000 1.395 583 F CB -0.107 38.911 39.000 0.030 0.000 1.056 583 F HN 0.147 nan 8.300 nan 0.000 0.529 584 I N 0.165 120.845 120.570 0.183 0.000 2.110 584 I HA -0.304 3.867 4.170 0.001 0.000 0.236 584 I C 2.627 178.639 176.117 -0.176 0.000 1.068 584 I CA 1.709 63.108 61.300 0.165 0.000 1.333 584 I CB -0.831 37.255 38.000 0.142 0.000 1.054 584 I HN 0.080 nan 8.210 nan 0.000 0.402 585 S N 0.604 115.992 115.700 -0.520 0.000 2.469 585 S HA -0.143 4.328 4.470 0.001 0.000 0.238 585 S C 1.726 176.048 174.600 -0.464 0.000 0.998 585 S CA 0.931 58.471 58.200 -1.099 0.000 0.957 585 S CB -0.414 62.410 63.200 -0.627 0.000 0.764 585 S HN 0.433 nan 8.310 nan 0.000 0.514 586 K N 0.149 120.479 120.400 -0.116 0.000 2.393 586 K HA 0.114 4.435 4.320 0.001 0.000 0.193 586 K C 0.582 177.241 176.600 0.099 0.000 1.026 586 K CA -0.145 56.154 56.287 0.020 0.000 1.064 586 K CB -0.001 32.536 32.500 0.062 0.000 0.833 586 K HN 0.518 nan 8.250 nan 0.000 0.521 587 H N 2.787 121.923 119.070 0.110 0.000 2.848 587 H HA -0.048 4.508 4.556 -0.000 0.000 0.341 587 H C 1.019 176.486 175.328 0.231 0.000 1.060 587 H CA 0.668 56.846 56.048 0.217 0.000 1.444 587 H CB 1.095 31.119 29.762 0.437 0.000 1.446 587 H HN 0.224 nan 8.280 nan 0.000 0.583 588 E N 4.992 125.124 120.200 -0.114 0.000 2.273 588 E HA -0.179 4.172 4.350 0.001 0.000 0.198 588 E C 1.325 178.094 176.600 0.283 0.000 1.002 588 E CA 1.017 57.455 56.400 0.062 0.000 0.828 588 E CB -0.083 29.590 29.700 -0.044 0.000 0.747 588 E HN 0.661 nan 8.360 nan 0.000 0.491 589 L N -0.487 121.093 121.223 0.595 0.000 2.616 589 L HA 0.114 4.455 4.340 0.001 0.000 0.229 589 L C 2.111 179.203 176.870 0.369 0.000 1.110 589 L CA -0.139 55.033 54.840 0.554 0.000 0.884 589 L CB -0.216 42.282 42.059 0.730 0.000 1.115 589 L HN 0.005 nan 8.230 nan 0.000 0.481 590 Y N 1.427 121.764 120.300 0.062 0.000 2.089 590 Y HA -0.315 4.239 4.550 0.005 0.000 0.282 590 Y C 2.758 178.540 175.900 -0.198 0.000 1.139 590 Y CA 2.144 59.959 58.100 -0.474 0.000 1.123 590 Y CB -0.122 38.078 38.460 -0.434 0.000 0.980 590 Y HN 0.134 nan 8.280 nan 0.000 0.493 591 S N 0.628 116.339 115.700 0.018 0.000 2.374 591 S HA -0.307 4.164 4.470 0.001 0.000 0.227 591 S C 2.035 176.587 174.600 -0.081 0.000 1.037 591 S CA 1.651 59.820 58.200 -0.050 0.000 1.024 591 S CB -0.641 62.590 63.200 0.052 0.000 0.861 591 S HN 0.505 nan 8.310 nan 0.000 0.456 592 R N 1.686 122.179 120.500 -0.012 0.000 2.083 592 R HA -0.077 4.264 4.340 0.001 0.000 0.237 592 R C 2.388 178.676 176.300 -0.020 0.000 1.137 592 R CA 1.375 57.476 56.100 0.002 0.000 0.951 592 R CB -0.605 29.730 30.300 0.058 0.000 0.851 592 R HN 0.422 nan 8.270 nan 0.000 0.434 593 A N 0.263 123.075 122.820 -0.014 0.000 2.019 593 A HA -0.136 4.185 4.320 0.001 0.000 0.219 593 A C 2.040 179.648 177.584 0.039 0.000 1.164 593 A CA 1.674 53.734 52.037 0.037 0.000 0.644 593 A CB -0.494 18.589 19.000 0.138 0.000 0.805 593 A HN 0.595 nan 8.150 nan 0.000 0.449 594 S N -0.926 114.694 115.700 -0.132 0.000 2.561 594 S HA -0.076 4.395 4.470 0.001 0.000 0.225 594 S C 1.672 176.335 174.600 0.105 0.000 0.977 594 S CA 0.824 58.964 58.200 -0.100 0.000 0.926 594 S CB -0.278 62.724 63.200 -0.331 0.000 0.769 594 S HN 0.683 nan 8.310 nan 0.000 0.533 595 Q N 1.422 121.246 119.800 0.040 0.000 2.020 595 Q HA 0.044 4.385 4.340 0.001 0.000 0.198 595 Q C 0.540 176.500 176.000 -0.068 0.000 0.974 595 Q CA 1.057 56.856 55.803 -0.006 0.000 0.829 595 Q CB -0.042 28.664 28.738 -0.053 0.000 0.894 595 Q HN 0.798 nan 8.270 nan 0.000 0.433 596 K N -1.738 118.505 120.400 -0.262 0.000 2.533 596 K HA 0.325 4.646 4.320 0.001 0.000 0.272 596 K C -2.724 173.304 176.600 -0.953 0.000 0.985 596 K CA -1.843 54.124 56.287 -0.533 0.000 0.876 596 K CB 1.785 34.107 32.500 -0.297 0.000 1.452 596 K HN -0.353 nan 8.250 nan 0.000 0.439 597 P HA -0.217 nan 4.420 nan 0.000 0.216 597 P C -0.144 176.892 177.300 -0.440 0.000 1.150 597 P CA 1.167 63.971 63.100 -0.494 0.000 0.837 597 P CB 0.176 31.798 31.700 -0.131 0.000 0.786 598 Q N 1.205 120.595 119.800 -0.683 0.000 2.311 598 Q HA 0.083 4.424 4.340 0.001 0.000 0.272 598 Q C -2.067 173.527 176.000 -0.676 0.000 1.012 598 Q CA -1.844 53.287 55.803 -1.120 0.000 0.891 598 Q CB 0.117 28.304 28.738 -0.919 0.000 1.201 598 Q HN 0.074 nan 8.270 nan 0.000 0.391 599 P HA -0.043 nan 4.420 nan 0.000 0.263 599 P C -1.005 175.756 177.300 -0.899 0.000 1.195 599 P CA 0.238 62.909 63.100 -0.716 0.000 0.762 599 P CB 0.448 31.879 31.700 -0.449 0.000 0.799 600 N N 3.610 121.653 118.700 -1.095 0.000 2.776 600 N HA 0.290 5.031 4.740 0.001 0.000 0.245 600 N C -1.867 173.338 175.510 -0.508 0.000 1.121 600 N CA -0.418 52.261 53.050 -0.619 0.000 0.852 600 N CB -0.312 37.962 38.487 -0.354 0.000 1.142 600 N HN 0.059 nan 8.380 nan 0.000 0.514 601 F N 2.447 122.388 119.950 -0.016 0.000 2.539 601 F HA 0.454 4.986 4.527 0.008 0.000 0.328 601 F C -1.333 174.505 175.800 0.063 0.000 1.148 601 F CA -2.050 55.990 58.000 0.066 0.000 0.940 601 F CB 1.754 40.907 39.000 0.254 0.000 1.194 601 F HN 0.177 nan 8.300 nan 0.000 0.438 602 P HA 0.039 nan 4.420 nan 0.000 0.229 602 P C -0.166 177.184 177.300 0.083 0.000 1.160 602 P CA 0.796 63.851 63.100 -0.075 0.000 0.777 602 P CB 0.494 31.973 31.700 -0.367 0.000 0.814 603 S N -3.964 111.841 115.700 0.176 0.000 2.636 603 S HA 0.416 4.887 4.470 0.001 0.000 0.268 603 S C -2.669 171.642 174.600 -0.481 0.000 1.159 603 S CA -1.242 56.916 58.200 -0.070 0.000 0.815 603 S CB 1.359 64.562 63.200 0.004 0.000 1.130 603 S HN -0.346 nan 8.310 nan 0.000 0.471 604 P HA -0.152 nan 4.420 nan 0.000 0.216 604 P C 1.566 178.557 177.300 -0.514 0.000 1.150 604 P CA 1.743 64.215 63.100 -1.047 0.000 0.843 604 P CB -0.103 31.147 31.700 -0.750 0.000 0.787 605 E N -0.992 118.994 120.200 -0.356 0.000 2.267 605 E HA -0.217 4.134 4.350 0.001 0.000 0.197 605 E C 1.124 177.489 176.600 -0.391 0.000 0.998 605 E CA 1.413 57.606 56.400 -0.346 0.000 0.830 605 E CB -1.154 28.342 29.700 -0.340 0.000 0.751 605 E HN 0.373 nan 8.360 nan 0.000 0.491 606 Y N 0.589 120.731 120.300 -0.263 0.000 2.523 606 Y HA 0.188 4.740 4.550 0.003 0.000 0.279 606 Y C 1.634 177.197 175.900 -0.562 0.000 1.139 606 Y CA 0.005 57.998 58.100 -0.179 0.000 1.296 606 Y CB 0.080 38.579 38.460 0.064 0.000 1.045 606 Y HN -0.008 nan 8.280 nan 0.000 0.538 607 M N 1.446 120.522 119.600 -0.874 0.000 2.685 607 M HA 0.038 4.519 4.480 0.001 0.000 0.316 607 M C -0.373 175.119 176.300 -1.346 0.000 1.523 607 M CA 0.600 54.812 55.300 -1.813 0.000 1.472 607 M CB -0.099 31.673 32.600 -1.381 0.000 1.525 607 M HN 0.187 nan 8.290 nan 0.000 0.471 608 I N 3.105 123.184 120.570 -0.819 0.000 3.814 608 I HA 0.237 4.408 4.170 0.001 0.000 0.264 608 I C -0.050 176.197 176.117 0.218 0.000 1.145 608 I CA 0.431 61.571 61.300 -0.266 0.000 1.375 608 I CB -0.322 37.509 38.000 -0.282 0.000 1.638 608 I HN 0.380 nan 8.210 nan 0.000 0.432 609 F N 1.802 122.032 119.950 0.467 0.000 2.425 609 F HA 0.382 4.913 4.527 0.007 0.000 0.331 609 F C 0.252 176.502 175.800 0.750 0.000 1.085 609 F CA -0.702 57.634 58.000 0.561 0.000 1.028 609 F CB 1.071 40.321 39.000 0.417 0.000 1.177 609 F HN -0.063 nan 8.300 nan 0.000 0.487 610 D N 0.313 121.186 120.400 0.789 0.000 2.168 610 D HA 0.145 4.786 4.640 0.001 0.000 0.246 610 D C 0.898 177.508 176.300 0.516 0.000 1.050 610 D CA -0.145 54.230 54.000 0.625 0.000 0.857 610 D CB 0.830 41.856 40.800 0.377 0.000 1.169 610 D HN 0.585 nan 8.370 nan 0.000 0.453 611 H N 2.876 122.132 119.070 0.311 0.000 2.289 611 H HA -0.134 4.422 4.556 -0.001 0.000 0.296 611 H C 1.211 176.628 175.328 0.150 0.000 1.091 611 H CA 2.109 58.251 56.048 0.157 0.000 1.274 611 H CB 0.438 30.246 29.762 0.076 0.000 1.364 611 H HN 0.457 nan 8.280 nan 0.000 0.490 612 E N -0.311 119.980 120.200 0.152 0.000 2.110 612 E HA -0.180 4.171 4.350 0.001 0.000 0.193 612 E C 2.164 178.782 176.600 0.029 0.000 0.988 612 E CA 0.887 57.291 56.400 0.008 0.000 0.804 612 E CB -0.559 29.155 29.700 0.023 0.000 0.745 612 E HN 0.514 nan 8.360 nan 0.000 0.458 613 F N 2.306 122.271 119.950 0.025 0.000 2.161 613 F HA -0.235 4.293 4.527 0.001 0.000 0.300 613 F C 2.566 178.411 175.800 0.076 0.000 1.089 613 F CA 2.135 60.176 58.000 0.068 0.000 1.282 613 F CB -0.577 38.514 39.000 0.151 0.000 1.010 613 F HN 0.042 nan 8.300 nan 0.000 0.485 614 T N -2.088 112.435 114.554 -0.052 0.000 2.881 614 T HA -0.203 4.148 4.350 0.001 0.000 0.270 614 T C 1.921 176.483 174.700 -0.229 0.000 1.068 614 T CA 1.519 63.488 62.100 -0.218 0.000 1.131 614 T CB -0.533 68.049 68.868 -0.478 0.000 0.871 614 T HN 0.357 nan 8.240 nan 0.000 0.479 615 K N 0.640 120.889 120.400 -0.251 0.000 2.103 615 K HA 0.201 4.522 4.320 0.001 0.000 0.204 615 K C 2.331 178.839 176.600 -0.153 0.000 1.052 615 K CA 0.936 57.112 56.287 -0.185 0.000 0.945 615 K CB -0.437 31.957 32.500 -0.177 0.000 0.722 615 K HN 0.288 nan 8.250 nan 0.000 0.443 616 L N 1.278 122.385 121.223 -0.194 0.000 2.079 616 L HA -0.218 4.123 4.340 0.001 0.000 0.210 616 L C 2.117 178.847 176.870 -0.233 0.000 1.081 616 L CA 1.127 55.855 54.840 -0.187 0.000 0.752 616 L CB -0.098 41.850 42.059 -0.185 0.000 0.896 616 L HN -0.025 nan 8.230 nan 0.000 0.433 617 V N -0.072 119.631 119.914 -0.351 0.000 2.379 617 V HA -0.290 3.831 4.120 0.001 0.000 0.245 617 V C 2.476 178.501 176.094 -0.114 0.000 1.044 617 V CA 2.066 64.218 62.300 -0.246 0.000 1.036 617 V CB -0.457 31.225 31.823 -0.234 0.000 0.664 617 V HN 0.475 nan 8.190 nan 0.000 0.453 618 K N 0.222 120.584 120.400 -0.063 0.000 2.147 618 K HA -0.245 4.075 4.320 0.001 0.000 0.205 618 K C 2.146 178.715 176.600 -0.052 0.000 1.049 618 K CA 1.959 58.226 56.287 -0.033 0.000 0.936 618 K CB -0.119 32.374 32.500 -0.011 0.000 0.722 618 K HN 0.570 nan 8.250 nan 0.000 0.446 619 E N 0.077 120.239 120.200 -0.064 0.000 2.072 619 E HA -0.123 4.228 4.350 0.001 0.000 0.190 619 E C 1.740 178.297 176.600 -0.070 0.000 0.982 619 E CA 0.997 57.368 56.400 -0.048 0.000 0.803 619 E CB 0.121 29.804 29.700 -0.029 0.000 0.755 619 E HN 0.349 nan 8.360 nan 0.000 0.453 620 L N 0.110 121.279 121.223 -0.091 0.000 2.463 620 L HA 0.089 4.430 4.340 0.001 0.000 0.219 620 L C 2.389 179.152 176.870 -0.178 0.000 1.088 620 L CA 0.154 54.905 54.840 -0.149 0.000 0.849 620 L CB -0.057 41.955 42.059 -0.080 0.000 1.012 620 L HN 0.167 nan 8.230 nan 0.000 0.468 621 E N 1.019 121.143 120.200 -0.126 0.000 2.031 621 E HA -0.193 4.158 4.350 0.001 0.000 0.193 621 E C 2.167 178.707 176.600 -0.100 0.000 0.994 621 E CA 1.411 57.743 56.400 -0.113 0.000 0.800 621 E CB -0.149 29.490 29.700 -0.102 0.000 0.752 621 E HN 0.396 nan 8.360 nan 0.000 0.447 622 G N 0.703 109.454 108.800 -0.082 0.000 2.442 622 G HA2 -0.267 3.694 3.960 0.001 0.000 0.219 622 G HA3 -0.267 3.694 3.960 0.001 0.000 0.219 622 G C 1.639 176.496 174.900 -0.071 0.000 1.141 622 G CA 1.533 46.601 45.100 -0.053 0.000 0.763 622 G HN 0.355 nan 8.290 nan 0.000 0.554 623 V N -1.200 118.622 119.914 -0.153 0.000 2.446 623 V HA 0.119 4.240 4.120 0.001 0.000 0.244 623 V C 2.601 178.540 176.094 -0.259 0.000 1.039 623 V CA 0.913 63.084 62.300 -0.215 0.000 1.045 623 V CB -0.545 31.075 31.823 -0.338 0.000 0.681 623 V HN 0.317 nan 8.190 nan 0.000 0.459 624 I N 1.318 121.693 120.570 -0.324 0.000 2.076 624 I HA -0.264 3.907 4.170 0.001 0.000 0.237 624 I C 2.854 178.948 176.117 -0.040 0.000 1.059 624 I CA 2.447 63.646 61.300 -0.168 0.000 1.317 624 I CB -0.941 36.993 38.000 -0.111 0.000 1.037 624 I HN 0.300 nan 8.210 nan 0.000 0.398 625 T N 0.268 114.802 114.554 -0.033 0.000 2.653 625 T HA -0.342 4.009 4.350 0.001 0.000 0.267 625 T C 1.911 176.636 174.700 0.042 0.000 1.037 625 T CA 2.183 64.276 62.100 -0.011 0.000 1.159 625 T CB -0.297 68.598 68.868 0.045 0.000 0.859 625 T HN 0.291 nan 8.240 nan 0.000 0.449 626 K N 0.487 120.928 120.400 0.069 0.000 2.116 626 K HA 0.160 4.480 4.320 0.001 0.000 0.203 626 K C 2.492 179.150 176.600 0.096 0.000 1.052 626 K CA 0.903 57.263 56.287 0.121 0.000 0.952 626 K CB -0.280 32.266 32.500 0.077 0.000 0.729 626 K HN 0.271 nan 8.250 nan 0.000 0.446 627 A N 0.901 123.760 122.820 0.066 0.000 1.933 627 A HA -0.143 4.178 4.320 0.001 0.000 0.218 627 A C 1.954 179.550 177.584 0.020 0.000 1.175 627 A CA 1.290 53.375 52.037 0.080 0.000 0.628 627 A CB -0.480 18.622 19.000 0.169 0.000 0.814 627 A HN 0.266 nan 8.150 nan 0.000 0.444 628 I N -1.222 119.321 120.570 -0.046 0.000 2.113 628 I HA -0.117 4.054 4.170 0.001 0.000 0.238 628 I C 0.777 176.817 176.117 -0.129 0.000 1.070 628 I CA 0.453 61.659 61.300 -0.158 0.000 1.332 628 I CB -0.849 36.990 38.000 -0.268 0.000 1.044 628 I HN 0.335 nan 8.210 nan 0.000 0.402 629 Y N 0.999 121.309 120.300 0.016 0.000 2.550 629 Y HA 0.186 4.736 4.550 0.001 0.000 0.343 629 Y C 1.404 177.308 175.900 0.006 0.000 1.245 629 Y CA 0.394 58.500 58.100 0.010 0.000 1.462 629 Y CB 0.306 38.774 38.460 0.015 0.000 1.340 629 Y HN 0.071 nan 8.280 nan 0.000 0.604 630 K N -1.048 119.457 120.400 0.176 0.000 2.712 630 K HA -0.058 4.262 4.320 0.001 0.000 0.256 630 K C 0.338 176.977 176.600 0.064 0.000 2.887 630 K CA 0.890 57.234 56.287 0.095 0.000 1.499 630 K CB -0.540 31.999 32.500 0.065 0.000 3.115 630 K HN 0.710 nan 8.250 nan 0.000 0.319 631 S N -1.696 114.034 115.700 0.050 0.000 7.331 631 S HA -0.046 4.425 4.470 0.001 0.000 0.044 631 S C 0.400 175.012 174.600 0.020 0.000 1.512 631 S CA 0.791 59.012 58.200 0.035 0.000 0.983 631 S CB -0.328 62.888 63.200 0.026 0.000 0.974 631 S HN 0.766 nan 8.310 nan 0.000 0.540 632 S N 0.734 116.442 115.700 0.013 0.000 6.227 632 S HA -0.005 4.466 4.470 0.001 0.000 0.066 632 S C 1.014 175.617 174.600 0.005 0.000 1.240 632 S CA 0.629 58.833 58.200 0.006 0.000 1.264 632 S CB -0.963 62.240 63.200 0.004 0.000 1.321 632 S HN 0.420 nan 8.310 nan 0.000 0.472 633 E N 2.154 122.358 120.200 0.007 0.000 2.070 633 E HA -0.062 4.289 4.350 0.001 0.000 0.197 633 E C 1.838 178.442 176.600 0.006 0.000 1.004 633 E CA 1.984 58.387 56.400 0.005 0.000 0.805 633 E CB -0.257 29.447 29.700 0.006 0.000 0.744 633 E HN 0.783 nan 8.360 nan 0.000 0.451 634 E N 0.351 120.557 120.200 0.009 0.000 2.106 634 E HA -0.170 4.181 4.350 0.001 0.000 0.192 634 E C 1.637 178.241 176.600 0.007 0.000 0.984 634 E CA 0.950 57.356 56.400 0.010 0.000 0.806 634 E CB -0.031 29.679 29.700 0.016 0.000 0.750 634 E HN 0.286 nan 8.360 nan 0.000 0.458 635 D N 0.815 121.219 120.400 0.006 0.000 2.218 635 D HA -0.145 4.496 4.640 0.001 0.000 0.204 635 D C 1.608 177.906 176.300 -0.003 0.000 0.976 635 D CA 0.942 54.943 54.000 0.001 0.000 0.853 635 D CB 0.054 40.853 40.800 -0.001 0.000 0.939 635 D HN 0.140 nan 8.370 nan 0.000 0.481 636 K N 0.647 121.046 120.400 -0.001 0.000 2.147 636 K HA -0.120 4.201 4.320 0.001 0.000 0.205 636 K C 1.902 178.500 176.600 -0.003 0.000 1.049 636 K CA 0.991 57.277 56.287 -0.002 0.000 0.936 636 K CB 0.142 32.641 32.500 -0.001 0.000 0.722 636 K HN 0.086 nan 8.250 nan 0.000 0.446 637 K N 0.108 120.508 120.400 -0.001 0.000 2.352 637 K HA 0.045 4.366 4.320 0.001 0.000 0.194 637 K C 1.420 178.018 176.600 -0.003 0.000 1.038 637 K CA 0.302 56.589 56.287 -0.001 0.000 1.023 637 K CB 0.471 32.972 32.500 0.001 0.000 0.840 637 K HN 0.072 nan 8.250 nan 0.000 0.519 638 E N 1.417 121.615 120.200 -0.004 0.000 2.230 638 E HA -0.097 4.254 4.350 0.001 0.000 0.192 638 E C 1.015 177.604 176.600 -0.018 0.000 0.987 638 E CA 0.785 57.179 56.400 -0.009 0.000 0.841 638 E CB 0.239 29.934 29.700 -0.008 0.000 0.783 638 E HN 0.384 nan 8.360 nan 0.000 0.481 639 E N 0.922 121.114 120.200 -0.015 0.000 2.502 639 E HA -0.008 4.343 4.350 0.001 0.000 0.194 639 E C 0.701 177.294 176.600 -0.011 0.000 1.062 639 E CA 0.004 56.395 56.400 -0.016 0.000 0.867 639 E CB 0.323 30.016 29.700 -0.012 0.000 0.888 639 E HN 0.214 nan 8.360 nan 0.000 0.510 640 E N 0.000 120.195 120.200 -0.009 0.000 2.725 640 E HA 0.000 4.351 4.350 0.001 0.000 0.291 640 E CA 0.000 56.397 56.400 -0.006 0.000 0.976 640 E CB 0.000 29.698 29.700 -0.004 0.000 0.812 640 E HN 0.000 nan 8.360 nan 0.000 0.440