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 1w58_1_1 DATA FIRST_RESID 23 DATA SEQUENCE SPEDKELLEY LQQTKAKITV VGCGGAGNNT ITRLKMEGIE GAKTVAINTD DATA SEQUENCE AQQLIRTKAD KKILIGKKLT RGLGAGGNPK IGEEAAKESA EEIKAAIQDS DATA SEQUENCE DMVFITCGLG GGTGTGSAPV VAEISKKIGA LTVAVVTLPF VMEGKVRMKN DATA SEQUENCE AMEGLERLKQ HTDTLVVIPN EKLFEIVPNM PLKLAFKVAD EVLINAVKGL DATA SEQUENCE VELITKDGLI NVDFADVKAV MNNGGLAMIG IGESDSEKRA KEAVSMALNS DATA SEQUENCE PLLDVDIDGA TGALIHVMGP EDLTLEEARE VVATVSSRLD PNATIIWGAT DATA SEQUENCE IDENLENTVR VLLVITGVQS RIEFTDTGLK RKKLEXLTG 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 23 S HA 0.000 nan 4.470 nan 0.000 0.327 23 S C 0.000 174.602 174.600 0.003 0.000 1.055 23 S CA 0.000 58.201 58.200 0.002 0.000 1.107 23 S CB 0.000 63.201 63.200 0.002 0.000 0.593 24 P HA -0.160 nan 4.420 nan 0.000 0.217 24 P C 1.293 178.595 177.300 0.003 0.000 1.158 24 P CA 1.509 64.611 63.100 0.003 0.000 0.887 24 P CB 0.159 31.860 31.700 0.001 0.000 0.792 25 E N -0.908 119.293 120.200 0.001 0.000 2.031 25 E HA -0.186 4.163 4.350 -0.001 0.000 0.193 25 E C 1.735 178.336 176.600 0.003 0.000 0.994 25 E CA 1.241 57.640 56.400 -0.001 0.000 0.800 25 E CB -0.442 29.255 29.700 -0.005 0.000 0.752 25 E HN 0.245 nan 8.360 nan 0.000 0.447 26 D N 0.606 121.009 120.400 0.004 0.000 2.104 26 D HA -0.153 4.486 4.640 -0.001 0.000 0.194 26 D C 1.768 178.078 176.300 0.015 0.000 0.994 26 D CA 1.173 55.178 54.000 0.009 0.000 0.830 26 D CB -0.139 40.666 40.800 0.007 0.000 0.959 26 D HN 0.082 nan 8.370 nan 0.000 0.452 27 K N 0.409 120.817 120.400 0.013 0.000 2.147 27 K HA -0.141 4.178 4.320 -0.001 0.000 0.205 27 K C 2.073 178.688 176.600 0.025 0.000 1.049 27 K CA 0.834 57.131 56.287 0.016 0.000 0.936 27 K CB -0.014 32.493 32.500 0.012 0.000 0.722 27 K HN 0.205 nan 8.250 nan 0.000 0.446 28 E N 0.505 120.719 120.200 0.024 0.000 2.072 28 E HA -0.171 4.178 4.350 -0.001 0.000 0.191 28 E C 1.790 178.425 176.600 0.058 0.000 0.985 28 E CA 0.650 57.070 56.400 0.033 0.000 0.801 28 E CB 0.191 29.901 29.700 0.017 0.000 0.750 28 E HN 0.040 nan 8.360 nan 0.000 0.452 29 L N 0.731 121.981 121.223 0.044 0.000 2.056 29 L HA -0.169 4.170 4.340 -0.001 0.000 0.207 29 L C 2.227 179.161 176.870 0.105 0.000 1.078 29 L CA 1.183 56.060 54.840 0.062 0.000 0.749 29 L CB -0.894 41.181 42.059 0.027 0.000 0.901 29 L HN 0.280 nan 8.230 nan 0.000 0.433 30 L N -0.666 120.597 121.223 0.067 0.000 2.017 30 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 30 L C 2.611 179.515 176.870 0.056 0.000 1.073 30 L CA 1.481 56.353 54.840 0.054 0.000 0.745 30 L CB -1.347 40.730 42.059 0.030 0.000 0.894 30 L HN 0.317 nan 8.230 nan 0.000 0.432 31 E N -1.018 119.216 120.200 0.056 0.000 2.118 31 E HA -0.283 4.066 4.350 -0.001 0.000 0.195 31 E C 2.165 178.793 176.600 0.046 0.000 0.992 31 E CA 1.208 57.632 56.400 0.040 0.000 0.804 31 E CB -0.310 29.415 29.700 0.041 0.000 0.741 31 E HN 0.530 nan 8.360 nan 0.000 0.458 32 Y N 1.119 121.412 120.300 -0.012 0.000 2.165 32 Y HA -0.183 4.366 4.550 -0.002 0.000 0.286 32 Y C 2.192 178.084 175.900 -0.014 0.000 1.155 32 Y CA 1.398 59.490 58.100 -0.014 0.000 1.164 32 Y CB -0.366 38.087 38.460 -0.012 0.000 0.978 32 Y HN -0.031 nan 8.280 nan 0.000 0.513 33 L N 0.030 121.237 121.223 -0.025 0.000 2.191 33 L HA -0.211 4.128 4.340 -0.001 0.000 0.212 33 L C 1.957 178.738 176.870 -0.148 0.000 1.103 33 L CA 0.947 55.727 54.840 -0.099 0.000 0.769 33 L CB -0.447 41.624 42.059 0.020 0.000 0.908 33 L HN 0.275 nan 8.230 nan 0.000 0.438 34 Q N -0.258 119.473 119.800 -0.114 0.000 2.444 34 Q HA -0.011 4.329 4.340 -0.001 0.000 0.206 34 Q C 0.606 176.527 176.000 -0.131 0.000 0.948 34 Q CA 0.195 55.940 55.803 -0.096 0.000 0.946 34 Q CB -0.030 28.675 28.738 -0.054 0.000 1.027 34 Q HN 0.510 nan 8.270 nan 0.000 0.513 35 Q N 0.653 120.325 119.800 -0.214 0.000 2.315 35 Q HA -0.033 4.306 4.340 -0.001 0.000 0.289 35 Q C 0.965 176.860 176.000 -0.176 0.000 1.044 35 Q CA 0.767 56.443 55.803 -0.212 0.000 0.920 35 Q CB 0.763 29.304 28.738 -0.328 0.000 1.214 35 Q HN 0.142 nan 8.270 nan 0.000 0.392 36 T N 1.497 115.974 114.554 -0.129 0.000 3.038 36 T HA 0.148 4.498 4.350 -0.001 0.000 0.244 36 T C -0.415 174.220 174.700 -0.108 0.000 1.016 36 T CA 0.183 62.220 62.100 -0.105 0.000 1.098 36 T CB 0.380 69.204 68.868 -0.075 0.000 0.954 36 T HN 0.555 nan 8.240 nan 0.000 0.469 37 K N 1.454 121.782 120.400 -0.118 0.000 2.203 37 K HA 0.845 5.164 4.320 -0.001 0.000 0.251 37 K C -0.554 175.923 176.600 -0.205 0.000 0.944 37 K CA -0.764 55.444 56.287 -0.132 0.000 0.829 37 K CB 1.422 33.866 32.500 -0.093 0.000 1.125 37 K HN 0.133 nan 8.250 nan 0.000 0.430 38 A N 2.256 124.895 122.820 -0.302 0.000 2.440 38 A HA 0.182 4.501 4.320 -0.001 0.000 0.251 38 A C -0.525 176.888 177.584 -0.285 0.000 1.089 38 A CA -0.401 51.327 52.037 -0.516 0.000 0.779 38 A CB -0.021 18.332 19.000 -1.078 0.000 1.022 38 A HN 0.635 nan 8.150 nan 0.000 0.492 39 K N 1.883 122.146 120.400 -0.229 0.000 2.285 39 K HA 0.417 4.736 4.320 -0.001 0.000 0.286 39 K C -1.221 175.345 176.600 -0.056 0.000 1.072 39 K CA 0.032 56.256 56.287 -0.105 0.000 0.913 39 K CB 0.735 33.196 32.500 -0.065 0.000 1.067 39 K HN 0.556 nan 8.250 nan 0.000 0.479 40 I N 1.751 122.319 120.570 -0.003 0.000 2.441 40 I HA 0.229 4.398 4.170 -0.001 0.000 0.295 40 I C 0.011 176.177 176.117 0.082 0.000 0.994 40 I CA -0.298 61.052 61.300 0.084 0.000 1.144 40 I CB 2.176 40.253 38.000 0.128 0.000 1.314 40 I HN 0.405 nan 8.210 nan 0.000 0.445 41 T N 4.754 119.384 114.554 0.127 0.000 2.848 41 T HA 0.606 4.956 4.350 -0.001 0.000 0.285 41 T C -0.704 174.085 174.700 0.148 0.000 0.995 41 T CA -0.533 61.626 62.100 0.098 0.000 0.970 41 T CB 1.741 70.652 68.868 0.071 0.000 0.976 41 T HN 0.187 nan 8.240 nan 0.000 0.441 42 V N 3.579 123.550 119.914 0.095 0.000 2.417 42 V HA 0.535 4.654 4.120 -0.001 0.000 0.291 42 V C -0.342 175.797 176.094 0.074 0.000 1.024 42 V CA -0.716 61.646 62.300 0.103 0.000 0.861 42 V CB 1.684 33.520 31.823 0.021 0.000 0.985 42 V HN 0.712 nan 8.190 nan 0.000 0.436 43 V N 3.862 123.829 119.914 0.089 0.000 2.378 43 V HA 0.725 4.844 4.120 -0.001 0.000 0.288 43 V C 0.611 176.736 176.094 0.052 0.000 1.016 43 V CA -0.373 61.962 62.300 0.058 0.000 0.840 43 V CB 1.689 33.544 31.823 0.053 0.000 0.994 43 V HN 0.949 nan 8.190 nan 0.000 0.431 44 G N 3.088 111.908 108.800 0.033 0.000 2.368 44 G HA2 0.536 4.495 3.960 -0.001 0.000 0.320 44 G HA3 0.536 4.495 3.960 -0.001 0.000 0.320 44 G C -0.569 174.341 174.900 0.017 0.000 1.158 44 G CA -0.339 44.776 45.100 0.025 0.000 0.912 44 G HN 0.781 nan 8.290 nan 0.000 0.456 45 C N 1.603 120.913 119.300 0.015 0.000 2.379 45 C HA 0.984 5.444 4.460 -0.001 0.000 0.323 45 C C 0.944 175.935 174.990 0.002 0.000 1.262 45 C CA 0.209 59.232 59.018 0.009 0.000 1.581 45 C CB 0.254 28.000 27.740 0.011 0.000 2.221 45 C HN 1.610 nan 8.230 nan 0.000 0.497 46 G N 2.461 111.259 108.800 -0.002 0.000 2.728 46 G HA2 0.236 4.196 3.960 -0.001 0.000 0.294 46 G HA3 0.236 4.196 3.960 -0.001 0.000 0.294 46 G C 0.664 175.555 174.900 -0.015 0.000 1.342 46 G CA -0.029 45.066 45.100 -0.009 0.000 0.866 46 G HN 1.331 nan 8.290 nan 0.000 0.534 47 G N -0.277 108.507 108.800 -0.026 0.000 2.511 47 G HA2 0.213 4.173 3.960 -0.001 0.000 0.216 47 G HA3 0.213 4.173 3.960 -0.001 0.000 0.216 47 G C 2.254 177.130 174.900 -0.040 0.000 1.218 47 G CA 3.382 48.460 45.100 -0.037 0.000 0.788 47 G HN 2.102 nan 8.290 nan 0.000 0.560 48 A N 0.772 123.563 122.820 -0.048 0.000 1.908 48 A HA 0.089 4.408 4.320 -0.001 0.000 0.218 48 A C 2.732 180.307 177.584 -0.015 0.000 1.181 48 A CA 2.340 54.353 52.037 -0.039 0.000 0.627 48 A CB -1.194 17.784 19.000 -0.037 0.000 0.818 48 A HN 0.654 nan 8.150 nan 0.000 0.445 49 G N -0.312 108.483 108.800 -0.008 0.000 2.422 49 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.218 49 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.218 49 G C 1.391 176.292 174.900 0.001 0.000 1.146 49 G CA 1.113 46.214 45.100 0.002 0.000 0.769 49 G HN 0.538 nan 8.290 nan 0.000 0.547 50 N N 0.837 119.535 118.700 -0.005 0.000 2.188 50 N HA -0.092 4.647 4.740 -0.001 0.000 0.184 50 N C 2.004 177.510 175.510 -0.006 0.000 1.018 50 N CA 1.157 54.204 53.050 -0.005 0.000 0.858 50 N CB -0.504 37.978 38.487 -0.008 0.000 0.989 50 N HN 0.332 nan 8.380 nan 0.000 0.426 51 N N 0.308 119.001 118.700 -0.010 0.000 2.120 51 N HA -0.083 4.657 4.740 -0.001 0.000 0.188 51 N C 1.337 176.846 175.510 -0.002 0.000 1.024 51 N CA 1.535 54.580 53.050 -0.008 0.000 0.852 51 N CB -0.373 38.105 38.487 -0.014 0.000 1.003 51 N HN 0.091 nan 8.380 nan 0.000 0.424 52 T N 1.021 115.575 114.554 -0.000 0.000 2.746 52 T HA -0.048 4.301 4.350 -0.001 0.000 0.267 52 T C 1.771 176.470 174.700 -0.003 0.000 1.039 52 T CA 0.792 62.892 62.100 0.001 0.000 1.142 52 T CB -0.115 68.756 68.868 0.004 0.000 0.866 52 T HN 0.168 nan 8.240 nan 0.000 0.444 53 I N 1.648 122.217 120.570 -0.002 0.000 2.179 53 I HA -0.152 4.017 4.170 -0.001 0.000 0.242 53 I C 2.661 178.775 176.117 -0.005 0.000 1.088 53 I CA 1.524 62.822 61.300 -0.003 0.000 1.357 53 I CB -1.664 36.337 38.000 0.001 0.000 1.051 53 I HN 0.259 nan 8.210 nan 0.000 0.409 54 T N 0.680 115.231 114.554 -0.004 0.000 2.699 54 T HA -0.212 4.137 4.350 -0.001 0.000 0.268 54 T C 2.126 176.823 174.700 -0.004 0.000 1.036 54 T CA 1.263 63.361 62.100 -0.004 0.000 1.147 54 T CB -0.150 68.716 68.868 -0.003 0.000 0.862 54 T HN 0.230 nan 8.240 nan 0.000 0.446 55 R N 0.376 120.874 120.500 -0.004 0.000 2.066 55 R HA 0.048 4.387 4.340 -0.001 0.000 0.232 55 R C 2.540 178.835 176.300 -0.009 0.000 1.131 55 R CA 1.032 57.129 56.100 -0.004 0.000 0.955 55 R CB -0.741 29.558 30.300 -0.002 0.000 0.851 55 R HN 0.409 nan 8.270 nan 0.000 0.432 56 L N 0.720 121.935 121.223 -0.013 0.000 2.042 56 L HA -0.239 4.101 4.340 -0.001 0.000 0.210 56 L C 2.574 179.434 176.870 -0.017 0.000 1.076 56 L CA 1.477 56.304 54.840 -0.021 0.000 0.749 56 L CB -0.482 41.559 42.059 -0.031 0.000 0.893 56 L HN 0.082 nan 8.230 nan 0.000 0.432 57 K N 0.350 120.742 120.400 -0.013 0.000 2.026 57 K HA -0.153 4.166 4.320 -0.001 0.000 0.208 57 K C 2.033 178.628 176.600 -0.008 0.000 1.048 57 K CA 1.710 57.991 56.287 -0.010 0.000 0.929 57 K CB -0.150 32.345 32.500 -0.007 0.000 0.713 57 K HN 0.141 nan 8.250 nan 0.000 0.439 58 M N -0.034 119.562 119.600 -0.007 0.000 2.098 58 M HA -0.091 4.388 4.480 -0.001 0.000 0.262 58 M C 1.950 178.247 176.300 -0.006 0.000 1.072 58 M CA 1.717 57.014 55.300 -0.005 0.000 1.133 58 M CB -0.246 32.352 32.600 -0.003 0.000 1.344 58 M HN 0.141 nan 8.290 nan 0.000 0.414 59 E N 0.261 120.457 120.200 -0.007 0.000 2.338 59 E HA 0.080 4.429 4.350 -0.001 0.000 0.197 59 E C 0.550 177.145 176.600 -0.009 0.000 1.007 59 E CA 0.298 56.694 56.400 -0.007 0.000 0.849 59 E CB -0.029 29.667 29.700 -0.007 0.000 0.774 59 E HN 0.579 nan 8.360 nan 0.000 0.506 60 G N 1.480 110.273 108.800 -0.011 0.000 2.721 60 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.686 60 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.686 60 G C -0.657 174.232 174.900 -0.019 0.000 1.236 60 G CA -0.313 44.779 45.100 -0.013 0.000 0.786 60 G HN 0.216 nan 8.290 nan 0.000 0.616 61 I N 0.980 121.536 120.570 -0.023 0.000 2.649 61 I HA 0.428 4.597 4.170 -0.001 0.000 0.275 61 I C 0.328 176.425 176.117 -0.033 0.000 1.180 61 I CA -0.666 60.613 61.300 -0.035 0.000 1.049 61 I CB 0.831 38.799 38.000 -0.054 0.000 1.234 61 I HN 0.873 nan 8.210 nan 0.000 0.506 62 E N 5.882 126.068 120.200 -0.023 0.000 3.557 62 E HA -0.078 4.271 4.350 -0.001 0.000 0.264 62 E C 1.012 177.596 176.600 -0.026 0.000 0.847 62 E CA 1.631 58.019 56.400 -0.020 0.000 0.966 62 E CB 0.132 29.825 29.700 -0.011 0.000 0.905 62 E HN 0.915 nan 8.360 nan 0.000 0.567 63 G N 3.208 111.994 108.800 -0.023 0.000 2.334 63 G HA2 -0.004 3.955 3.960 -0.001 0.000 0.279 63 G HA3 -0.004 3.955 3.960 -0.001 0.000 0.279 63 G C -0.126 174.759 174.900 -0.024 0.000 0.918 63 G CA 0.431 45.516 45.100 -0.025 0.000 1.314 63 G HN 1.010 nan 8.290 nan 0.000 0.463 64 A N 1.229 124.036 122.820 -0.021 0.000 2.518 64 A HA 0.724 5.043 4.320 -0.001 0.000 0.295 64 A C -0.154 177.425 177.584 -0.009 0.000 1.052 64 A CA -0.033 51.996 52.037 -0.014 0.000 0.824 64 A CB 0.913 19.892 19.000 -0.035 0.000 1.325 64 A HN 1.431 nan 8.150 nan 0.000 0.394 65 K N 0.691 121.093 120.400 0.003 0.000 2.118 65 K HA 0.712 5.032 4.320 -0.001 0.000 0.264 65 K C -0.117 176.488 176.600 0.009 0.000 1.000 65 K CA 0.131 56.420 56.287 0.004 0.000 0.929 65 K CB 1.014 33.517 32.500 0.006 0.000 1.021 65 K HN 0.675 nan 8.250 nan 0.000 0.463 66 T N -0.658 113.899 114.554 0.005 0.000 2.779 66 T HA 0.444 4.793 4.350 -0.001 0.000 0.280 66 T C -0.513 174.193 174.700 0.011 0.000 0.987 66 T CA -0.922 61.182 62.100 0.007 0.000 0.966 66 T CB 1.210 70.078 68.868 -0.001 0.000 0.933 66 T HN 0.320 nan 8.240 nan 0.000 0.442 67 V N 2.426 122.351 119.914 0.017 0.000 2.487 67 V HA 0.775 4.894 4.120 -0.001 0.000 0.298 67 V C 0.154 176.257 176.094 0.015 0.000 1.028 67 V CA -0.925 61.385 62.300 0.016 0.000 0.860 67 V CB 1.342 33.178 31.823 0.021 0.000 0.991 67 V HN 1.265 nan 8.190 nan 0.000 0.427 68 A N 6.567 129.393 122.820 0.010 0.000 2.330 68 A HA 0.956 5.275 4.320 -0.001 0.000 0.327 68 A C -0.644 176.944 177.584 0.006 0.000 1.155 68 A CA -0.579 51.462 52.037 0.007 0.000 0.803 68 A CB 1.032 20.034 19.000 0.003 0.000 1.208 68 A HN 1.094 nan 8.150 nan 0.000 0.477 69 I N 0.091 120.664 120.570 0.006 0.000 2.619 69 I HA 0.772 4.942 4.170 -0.001 0.000 0.292 69 I C -1.123 174.995 176.117 0.001 0.000 1.100 69 I CA -0.667 60.635 61.300 0.003 0.000 1.043 69 I CB 2.220 40.223 38.000 0.005 0.000 1.239 69 I HN 0.714 nan 8.210 nan 0.000 0.420 70 N N 2.455 121.154 118.700 -0.001 0.000 2.708 70 N HA 0.322 5.061 4.740 -0.001 0.000 0.257 70 N C -0.270 175.238 175.510 -0.003 0.000 1.373 70 N CA -0.498 52.550 53.050 -0.003 0.000 0.843 70 N CB 2.718 41.202 38.487 -0.005 0.000 1.503 70 N HN 0.679 nan 8.380 nan 0.000 0.504 71 T N -0.864 113.688 114.554 -0.004 0.000 3.037 71 T HA 0.048 4.397 4.350 -0.001 0.000 0.252 71 T C -0.541 174.157 174.700 -0.004 0.000 1.073 71 T CA 0.524 62.622 62.100 -0.003 0.000 1.091 71 T CB -0.144 68.722 68.868 -0.003 0.000 0.935 71 T HN 0.394 nan 8.240 nan 0.000 0.488 72 D N 1.005 121.402 120.400 -0.005 0.000 2.380 72 D HA 0.426 5.065 4.640 -0.001 0.000 0.230 72 D C 1.119 177.416 176.300 -0.005 0.000 1.154 72 D CA -0.091 53.905 54.000 -0.006 0.000 0.859 72 D CB 1.606 42.401 40.800 -0.008 0.000 1.045 72 D HN 0.229 nan 8.370 nan 0.000 0.495 73 A N 4.683 127.500 122.820 -0.004 0.000 1.908 73 A HA -0.222 4.097 4.320 -0.001 0.000 0.218 73 A C 1.973 179.555 177.584 -0.004 0.000 1.181 73 A CA 1.210 53.244 52.037 -0.004 0.000 0.627 73 A CB -0.250 18.748 19.000 -0.003 0.000 0.818 73 A HN 0.643 nan 8.150 nan 0.000 0.445 74 Q N -0.372 119.425 119.800 -0.005 0.000 2.096 74 Q HA -0.242 4.097 4.340 -0.001 0.000 0.204 74 Q C 2.198 178.194 176.000 -0.007 0.000 0.982 74 Q CA 1.838 57.638 55.803 -0.005 0.000 0.850 74 Q CB -0.450 28.285 28.738 -0.006 0.000 0.901 74 Q HN 0.811 nan 8.270 nan 0.000 0.422 75 Q N -0.019 119.775 119.800 -0.009 0.000 2.124 75 Q HA -0.132 4.207 4.340 -0.001 0.000 0.202 75 Q C 2.129 178.125 176.000 -0.008 0.000 0.977 75 Q CA 0.732 56.529 55.803 -0.011 0.000 0.850 75 Q CB -0.079 28.651 28.738 -0.014 0.000 0.901 75 Q HN 0.170 nan 8.270 nan 0.000 0.429 76 L N 0.651 121.870 121.223 -0.006 0.000 2.093 76 L HA -0.157 4.182 4.340 -0.001 0.000 0.208 76 L C 1.974 178.841 176.870 -0.004 0.000 1.085 76 L CA 1.277 56.114 54.840 -0.005 0.000 0.755 76 L CB -0.338 41.719 42.059 -0.003 0.000 0.904 76 L HN 0.202 nan 8.230 nan 0.000 0.435 77 I N 0.380 120.948 120.570 -0.004 0.000 2.179 77 I HA -0.259 3.910 4.170 -0.001 0.000 0.242 77 I C 2.334 178.449 176.117 -0.003 0.000 1.088 77 I CA 1.519 62.817 61.300 -0.003 0.000 1.357 77 I CB -1.188 36.810 38.000 -0.003 0.000 1.051 77 I HN 0.457 nan 8.210 nan 0.000 0.409 78 R N 0.229 120.726 120.500 -0.004 0.000 2.319 78 R HA 0.091 4.430 4.340 -0.001 0.000 0.204 78 R C 0.383 176.681 176.300 -0.004 0.000 0.954 78 R CA 0.238 56.335 56.100 -0.004 0.000 1.066 78 R CB -0.630 29.667 30.300 -0.005 0.000 0.991 78 R HN 0.084 nan 8.270 nan 0.000 0.486 79 T N 1.014 115.566 114.554 -0.004 0.000 2.922 79 T HA 0.305 4.654 4.350 -0.001 0.000 0.285 79 T C -0.606 174.092 174.700 -0.003 0.000 1.005 79 T CA -0.371 61.727 62.100 -0.004 0.000 1.061 79 T CB 1.461 70.327 68.868 -0.004 0.000 1.007 79 T HN -0.026 nan 8.240 nan 0.000 0.502 80 K N 1.633 122.031 120.400 -0.003 0.000 2.358 80 K HA 0.801 5.121 4.320 -0.001 0.000 0.260 80 K C -0.773 175.826 176.600 -0.002 0.000 0.956 80 K CA -0.387 55.898 56.287 -0.002 0.000 0.834 80 K CB 1.704 34.203 32.500 -0.003 0.000 1.102 80 K HN 0.741 nan 8.250 nan 0.000 0.431 81 A N 1.852 124.671 122.820 -0.002 0.000 2.601 81 A HA 0.350 4.670 4.320 -0.001 0.000 0.291 81 A C -0.408 177.176 177.584 -0.000 0.000 1.075 81 A CA -0.679 51.358 52.037 -0.001 0.000 0.671 81 A CB 0.786 19.787 19.000 0.001 0.000 1.277 81 A HN 0.585 nan 8.150 nan 0.000 0.417 82 D N -0.139 120.261 120.400 0.000 0.000 2.178 82 D HA 0.000 4.639 4.640 -0.001 0.000 0.202 82 D C 0.295 176.596 176.300 0.002 0.000 0.974 82 D CA 1.705 55.705 54.000 0.001 0.000 0.841 82 D CB 0.256 41.056 40.800 0.001 0.000 0.953 82 D HN 0.375 nan 8.370 nan 0.000 0.478 83 K N 0.373 120.775 120.400 0.003 0.000 2.513 83 K HA 0.287 4.606 4.320 -0.001 0.000 0.251 83 K C -1.491 175.111 176.600 0.004 0.000 0.939 83 K CA -0.543 55.747 56.287 0.004 0.000 0.793 83 K CB 1.894 34.397 32.500 0.005 0.000 1.241 83 K HN -0.306 nan 8.250 nan 0.000 0.431 84 K N 4.269 124.671 120.400 0.002 0.000 2.270 84 K HA 0.591 4.910 4.320 -0.001 0.000 0.255 84 K C -0.620 175.981 176.600 0.002 0.000 0.936 84 K CA -0.754 55.534 56.287 0.002 0.000 0.809 84 K CB 1.731 34.231 32.500 0.001 0.000 1.131 84 K HN 0.459 nan 8.250 nan 0.000 0.427 85 I N 3.331 123.902 120.570 0.002 0.000 2.478 85 I HA 0.184 4.353 4.170 -0.001 0.000 0.287 85 I C -1.159 174.958 176.117 -0.000 0.000 1.042 85 I CA -1.103 60.198 61.300 0.001 0.000 1.067 85 I CB 1.746 39.747 38.000 0.002 0.000 1.233 85 I HN 0.345 nan 8.210 nan 0.000 0.431 86 L N 8.405 129.628 121.223 -0.001 0.000 2.261 86 L HA 0.523 4.862 4.340 -0.001 0.000 0.289 86 L C -0.135 176.734 176.870 -0.002 0.000 1.059 86 L CA -0.043 54.796 54.840 -0.001 0.000 0.816 86 L CB 0.514 42.572 42.059 -0.002 0.000 1.191 86 L HN 0.484 nan 8.230 nan 0.000 0.431 87 I N 1.890 122.459 120.570 -0.002 0.000 2.664 87 I HA 0.769 4.938 4.170 -0.001 0.000 0.308 87 I C 1.094 177.210 176.117 -0.003 0.000 0.984 87 I CA -0.371 60.928 61.300 -0.003 0.000 1.213 87 I CB 1.416 39.414 38.000 -0.003 0.000 1.379 87 I HN 0.785 nan 8.210 nan 0.000 0.501 88 G N 3.190 111.988 108.800 -0.003 0.000 2.221 88 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.265 88 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.265 88 G C 0.709 175.608 174.900 -0.002 0.000 1.041 88 G CA 0.554 45.653 45.100 -0.003 0.000 0.807 88 G HN 0.870 nan 8.290 nan 0.000 0.502 89 K N -0.503 119.896 120.400 -0.002 0.000 2.160 89 K HA -0.137 4.182 4.320 -0.001 0.000 0.206 89 K C 2.481 179.080 176.600 -0.002 0.000 1.047 89 K CA 1.763 58.048 56.287 -0.002 0.000 0.930 89 K CB -0.120 32.379 32.500 -0.002 0.000 0.720 89 K HN 0.540 nan 8.250 nan 0.000 0.450 90 K N 0.060 120.459 120.400 -0.002 0.000 2.166 90 K HA -0.037 4.282 4.320 -0.001 0.000 0.201 90 K C 1.952 178.552 176.600 -0.001 0.000 1.052 90 K CA 0.281 56.567 56.287 -0.001 0.000 0.969 90 K CB 0.007 32.506 32.500 -0.001 0.000 0.761 90 K HN -0.034 nan 8.250 nan 0.000 0.459 91 L N 1.391 122.613 121.223 -0.001 0.000 1.982 91 L HA -0.049 4.291 4.340 -0.001 0.000 0.206 91 L C 1.095 177.964 176.870 -0.000 0.000 1.078 91 L CA 1.639 56.479 54.840 -0.001 0.000 0.749 91 L CB -0.599 41.460 42.059 -0.001 0.000 0.894 91 L HN 0.183 nan 8.230 nan 0.000 0.436 92 T N -2.045 112.508 114.554 -0.001 0.000 2.881 92 T HA 0.416 4.766 4.350 -0.001 0.000 0.278 92 T C 0.288 174.988 174.700 -0.001 0.000 0.982 92 T CA -0.692 61.407 62.100 -0.001 0.000 0.989 92 T CB 1.001 69.869 68.868 -0.001 0.000 1.058 92 T HN 0.269 nan 8.240 nan 0.000 0.529 93 R N 0.050 120.550 120.500 -0.001 0.000 2.886 93 R HA 0.452 4.791 4.340 -0.001 0.000 0.306 93 R C 1.076 177.375 176.300 -0.001 0.000 1.300 93 R CA -0.103 55.996 56.100 -0.001 0.000 1.441 93 R CB 0.359 30.659 30.300 -0.001 0.000 1.328 93 R HN 1.145 nan 8.270 nan 0.000 0.629 94 G N 0.705 109.504 108.800 -0.002 0.000 2.148 94 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.254 94 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.254 94 G C 0.351 175.250 174.900 -0.003 0.000 0.981 94 G CA -0.025 45.073 45.100 -0.002 0.000 0.670 94 G HN 0.424 nan 8.290 nan 0.000 0.528 95 L N 0.491 121.713 121.223 -0.002 0.000 2.984 95 L HA 0.542 4.881 4.340 -0.001 0.000 0.246 95 L C 1.424 178.293 176.870 -0.003 0.000 1.268 95 L CA -0.021 54.818 54.840 -0.002 0.000 1.054 95 L CB -0.251 41.807 42.059 -0.001 0.000 1.393 95 L HN 0.963 nan 8.230 nan 0.000 0.532 96 G N 0.656 109.454 108.800 -0.003 0.000 2.828 96 G HA2 -0.100 3.859 3.960 -0.001 0.000 0.463 96 G HA3 -0.100 3.859 3.960 -0.001 0.000 0.463 96 G C 0.190 175.089 174.900 -0.002 0.000 1.394 96 G CA -0.176 44.921 45.100 -0.004 0.000 0.862 96 G HN 0.325 nan 8.290 nan 0.000 0.540 97 A N -0.450 122.369 122.820 -0.002 0.000 2.469 97 A HA 0.697 5.016 4.320 -0.001 0.000 0.245 97 A C 2.204 179.789 177.584 0.002 0.000 1.221 97 A CA 1.512 53.549 52.037 0.000 0.000 0.946 97 A CB -0.279 18.722 19.000 0.000 0.000 1.049 97 A HN 2.960 nan 8.150 nan 0.000 0.529 98 G N -0.334 108.467 108.800 0.001 0.000 2.356 98 G HA2 0.106 4.065 3.960 -0.001 0.000 0.296 98 G HA3 0.106 4.065 3.960 -0.001 0.000 0.296 98 G C 1.477 176.380 174.900 0.005 0.000 1.022 98 G CA 0.916 46.018 45.100 0.003 0.000 0.961 98 G HN 2.079 nan 8.290 nan 0.000 0.510 99 G N -1.147 107.656 108.800 0.005 0.000 2.166 99 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.260 99 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.260 99 G C 0.245 175.152 174.900 0.011 0.000 0.986 99 G CA 0.775 45.880 45.100 0.008 0.000 0.683 99 G HN 1.501 nan 8.290 nan 0.000 0.527 100 N N 0.463 119.169 118.700 0.009 0.000 2.485 100 N HA 0.465 5.204 4.740 -0.001 0.000 0.243 100 N C -0.907 174.609 175.510 0.010 0.000 0.987 100 N CA -2.259 50.797 53.050 0.010 0.000 0.940 100 N CB 1.771 40.264 38.487 0.009 0.000 1.122 100 N HN -0.035 nan 8.380 nan 0.000 0.509 101 P HA -0.134 nan 4.420 nan 0.000 0.216 101 P C 0.746 178.052 177.300 0.011 0.000 1.150 101 P CA 1.586 64.694 63.100 0.013 0.000 0.843 101 P CB 0.406 32.116 31.700 0.018 0.000 0.787 102 K N -1.003 119.403 120.400 0.011 0.000 2.147 102 K HA -0.078 4.241 4.320 -0.001 0.000 0.205 102 K C 1.919 178.522 176.600 0.006 0.000 1.049 102 K CA 1.028 57.320 56.287 0.009 0.000 0.936 102 K CB -0.429 32.076 32.500 0.010 0.000 0.722 102 K HN 0.155 nan 8.250 nan 0.000 0.446 103 I N 0.529 121.102 120.570 0.005 0.000 2.233 103 I HA -0.110 4.060 4.170 -0.001 0.000 0.243 103 I C 2.501 178.619 176.117 0.001 0.000 1.093 103 I CA 1.338 62.640 61.300 0.003 0.000 1.380 103 I CB -1.518 36.484 38.000 0.003 0.000 1.067 103 I HN 0.218 nan 8.210 nan 0.000 0.413 104 G N 0.605 109.407 108.800 0.002 0.000 2.440 104 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.218 104 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.218 104 G C 1.617 176.516 174.900 -0.002 0.000 1.154 104 G CA 0.891 45.991 45.100 0.001 0.000 0.767 104 G HN 0.472 nan 8.290 nan 0.000 0.552 105 E N -0.142 120.057 120.200 -0.001 0.000 2.031 105 E HA -0.152 4.197 4.350 -0.001 0.000 0.193 105 E C 2.367 178.962 176.600 -0.008 0.000 0.994 105 E CA 0.950 57.347 56.400 -0.006 0.000 0.800 105 E CB -0.146 29.553 29.700 -0.002 0.000 0.752 105 E HN 0.311 nan 8.360 nan 0.000 0.447 106 E N 0.228 120.425 120.200 -0.005 0.000 2.110 106 E HA -0.171 4.178 4.350 -0.001 0.000 0.193 106 E C 1.848 178.445 176.600 -0.006 0.000 0.988 106 E CA 1.024 57.421 56.400 -0.005 0.000 0.804 106 E CB -0.137 29.562 29.700 -0.002 0.000 0.745 106 E HN 0.349 nan 8.360 nan 0.000 0.458 107 A N 1.003 123.820 122.820 -0.005 0.000 1.902 107 A HA -0.093 4.227 4.320 -0.001 0.000 0.217 107 A C 2.404 179.984 177.584 -0.007 0.000 1.181 107 A CA 2.101 54.135 52.037 -0.005 0.000 0.623 107 A CB -0.581 18.417 19.000 -0.003 0.000 0.818 107 A HN 0.310 nan 8.150 nan 0.000 0.443 108 A N -0.328 122.487 122.820 -0.009 0.000 1.898 108 A HA -0.109 4.210 4.320 -0.001 0.000 0.216 108 A C 2.109 179.683 177.584 -0.017 0.000 1.181 108 A CA 1.678 53.707 52.037 -0.013 0.000 0.620 108 A CB -0.396 18.595 19.000 -0.017 0.000 0.819 108 A HN 0.517 nan 8.150 nan 0.000 0.442 109 K N -0.507 119.882 120.400 -0.019 0.000 2.057 109 K HA -0.189 4.130 4.320 -0.001 0.000 0.207 109 K C 2.084 178.676 176.600 -0.014 0.000 1.049 109 K CA 1.515 57.790 56.287 -0.020 0.000 0.931 109 K CB -0.136 32.353 32.500 -0.019 0.000 0.714 109 K HN 0.706 nan 8.250 nan 0.000 0.440 110 E N 0.524 120.718 120.200 -0.010 0.000 2.153 110 E HA -0.124 4.225 4.350 -0.001 0.000 0.194 110 E C 0.511 177.106 176.600 -0.007 0.000 0.988 110 E CA 1.121 57.517 56.400 -0.007 0.000 0.811 110 E CB 0.202 29.898 29.700 -0.006 0.000 0.746 110 E HN 0.069 nan 8.360 nan 0.000 0.466 111 S N -0.174 115.521 115.700 -0.008 0.000 2.574 111 S HA 0.326 4.795 4.470 -0.001 0.000 0.242 111 S C 1.083 175.678 174.600 -0.008 0.000 0.982 111 S CA 0.135 58.331 58.200 -0.007 0.000 0.977 111 S CB 1.111 64.308 63.200 -0.005 0.000 0.814 111 S HN 0.392 nan 8.310 nan 0.000 0.464 112 A N 2.047 124.861 122.820 -0.011 0.000 1.917 112 A HA -0.218 4.101 4.320 -0.001 0.000 0.219 112 A C 2.038 179.616 177.584 -0.009 0.000 1.182 112 A CA 1.954 53.983 52.037 -0.013 0.000 0.633 112 A CB -0.497 18.492 19.000 -0.017 0.000 0.819 112 A HN 0.476 nan 8.150 nan 0.000 0.448 113 E N -0.140 120.055 120.200 -0.007 0.000 2.058 113 E HA -0.197 4.152 4.350 -0.001 0.000 0.194 113 E C 1.983 178.581 176.600 -0.004 0.000 0.997 113 E CA 1.780 58.177 56.400 -0.005 0.000 0.801 113 E CB -0.188 29.509 29.700 -0.005 0.000 0.746 113 E HN 0.740 nan 8.360 nan 0.000 0.450 114 E N -0.295 119.904 120.200 -0.003 0.000 2.106 114 E HA -0.147 4.202 4.350 -0.001 0.000 0.192 114 E C 2.165 178.765 176.600 -0.000 0.000 0.984 114 E CA 0.952 57.352 56.400 -0.002 0.000 0.806 114 E CB -0.075 29.624 29.700 -0.001 0.000 0.750 114 E HN 0.365 nan 8.360 nan 0.000 0.458 115 I N 1.259 121.828 120.570 -0.002 0.000 2.179 115 I HA -0.292 3.877 4.170 -0.001 0.000 0.242 115 I C 2.627 178.745 176.117 0.002 0.000 1.088 115 I CA 1.133 62.433 61.300 -0.000 0.000 1.357 115 I CB -0.248 37.750 38.000 -0.004 0.000 1.051 115 I HN 0.036 nan 8.210 nan 0.000 0.409 116 K N 1.590 121.989 120.400 -0.001 0.000 2.032 116 K HA -0.225 4.094 4.320 -0.001 0.000 0.209 116 K C 2.150 178.752 176.600 0.003 0.000 1.048 116 K CA 1.805 58.093 56.287 0.001 0.000 0.927 116 K CB -0.188 32.310 32.500 -0.002 0.000 0.712 116 K HN 0.289 nan 8.250 nan 0.000 0.441 117 A N 0.617 123.438 122.820 0.002 0.000 2.070 117 A HA -0.048 4.271 4.320 -0.001 0.000 0.220 117 A C 2.167 179.754 177.584 0.005 0.000 1.159 117 A CA 1.685 53.723 52.037 0.003 0.000 0.656 117 A CB -0.560 18.441 19.000 0.001 0.000 0.800 117 A HN 0.521 nan 8.150 nan 0.000 0.453 118 A N -0.046 122.777 122.820 0.006 0.000 2.072 118 A HA 0.211 4.530 4.320 -0.001 0.000 0.216 118 A C 1.770 179.362 177.584 0.014 0.000 1.156 118 A CA 1.150 53.192 52.037 0.009 0.000 0.701 118 A CB -0.448 18.557 19.000 0.009 0.000 0.816 118 A HN 0.984 nan 8.150 nan 0.000 0.458 119 I N -4.276 116.302 120.570 0.015 0.000 4.154 119 I HA 0.245 4.414 4.170 -0.001 0.000 0.334 119 I C 1.619 177.747 176.117 0.018 0.000 1.371 119 I CA 0.350 61.663 61.300 0.021 0.000 1.110 119 I CB 0.098 38.113 38.000 0.025 0.000 1.085 119 I HN 0.118 nan 8.210 nan 0.000 0.398 120 Q N 2.669 122.476 119.800 0.013 0.000 2.096 120 Q HA -0.242 4.097 4.340 -0.001 0.000 0.208 120 Q C 1.064 177.072 176.000 0.013 0.000 0.993 120 Q CA 2.437 58.246 55.803 0.011 0.000 0.862 120 Q CB -0.230 28.512 28.738 0.006 0.000 0.915 120 Q HN 0.572 nan 8.270 nan 0.000 0.416 121 D N -0.247 120.161 120.400 0.014 0.000 2.336 121 D HA 0.111 4.751 4.640 -0.001 0.000 0.228 121 D C -0.537 175.774 176.300 0.019 0.000 1.120 121 D CA 0.114 54.124 54.000 0.017 0.000 0.839 121 D CB 0.203 41.012 40.800 0.015 0.000 0.932 121 D HN 0.056 nan 8.370 nan 0.000 0.509 122 S N 0.697 116.410 115.700 0.022 0.000 2.537 122 S HA 0.105 4.574 4.470 -0.001 0.000 0.275 122 S C 0.989 175.606 174.600 0.028 0.000 1.272 122 S CA -0.635 57.579 58.200 0.023 0.000 1.050 122 S CB 2.079 65.302 63.200 0.039 0.000 0.961 122 S HN 0.074 nan 8.310 nan 0.000 0.496 123 D N 1.226 121.627 120.400 0.001 0.000 2.249 123 D HA 0.082 4.721 4.640 -0.001 0.000 0.205 123 D C 0.340 176.716 176.300 0.126 0.000 0.962 123 D CA 0.980 54.986 54.000 0.010 0.000 0.860 123 D CB 0.292 40.963 40.800 -0.215 0.000 0.955 123 D HN 0.399 nan 8.370 nan 0.000 0.505 124 M N 0.705 120.371 119.600 0.109 0.000 2.421 124 M HA 0.292 4.771 4.480 -0.001 0.000 0.287 124 M C -2.175 174.196 176.300 0.118 0.000 1.183 124 M CA -0.521 54.873 55.300 0.157 0.000 0.916 124 M CB 3.015 35.789 32.600 0.289 0.000 1.701 124 M HN -0.416 nan 8.290 nan 0.000 0.470 125 V N 4.267 124.210 119.914 0.048 0.000 2.531 125 V HA 0.532 4.651 4.120 -0.001 0.000 0.301 125 V C -1.346 174.740 176.094 -0.014 0.000 1.034 125 V CA -0.485 61.856 62.300 0.069 0.000 0.865 125 V CB 1.983 33.831 31.823 0.043 0.000 0.995 125 V HN 0.720 nan 8.190 nan 0.000 0.424 126 F N 4.882 124.854 119.950 0.038 0.000 2.427 126 F HA 0.605 5.131 4.527 -0.002 0.000 0.346 126 F C 0.197 176.012 175.800 0.026 0.000 1.120 126 F CA -0.594 57.426 58.000 0.034 0.000 1.033 126 F CB 1.543 40.563 39.000 0.032 0.000 1.126 126 F HN 0.231 nan 8.300 nan 0.000 0.462 127 I N 3.152 123.814 120.570 0.154 0.000 2.355 127 I HA 0.294 4.463 4.170 -0.001 0.000 0.288 127 I C -0.138 176.044 176.117 0.107 0.000 0.999 127 I CA -0.178 61.184 61.300 0.104 0.000 1.163 127 I CB 1.401 39.434 38.000 0.055 0.000 1.316 127 I HN 0.440 nan 8.210 nan 0.000 0.454 128 T N 6.123 120.732 114.554 0.093 0.000 2.876 128 T HA 0.756 5.106 4.350 -0.001 0.000 0.289 128 T C -0.679 174.046 174.700 0.042 0.000 1.014 128 T CA -0.264 61.880 62.100 0.072 0.000 0.986 128 T CB 1.238 70.150 68.868 0.074 0.000 1.021 128 T HN 0.948 nan 8.240 nan 0.000 0.458 129 C N 1.469 120.787 119.300 0.030 0.000 3.231 129 C HA 0.890 5.349 4.460 -0.001 0.000 0.343 129 C C 0.071 175.066 174.990 0.008 0.000 1.349 129 C CA -0.663 58.364 59.018 0.015 0.000 1.209 129 C CB 0.578 28.327 27.740 0.014 0.000 1.475 129 C HN 1.135 nan 8.230 nan 0.000 0.460 130 G N 1.191 109.991 108.800 -0.000 0.000 2.335 130 G HA2 0.599 4.558 3.960 -0.001 0.000 0.314 130 G HA3 0.599 4.558 3.960 -0.001 0.000 0.314 130 G C -0.734 174.164 174.900 -0.002 0.000 1.129 130 G CA -0.582 44.516 45.100 -0.003 0.000 0.912 130 G HN 0.906 nan 8.290 nan 0.000 0.443 131 L N 1.760 122.981 121.223 -0.004 0.000 2.418 131 L HA 0.603 4.942 4.340 -0.001 0.000 0.265 131 L C 1.429 178.304 176.870 0.008 0.000 1.143 131 L CA 0.755 55.596 54.840 0.002 0.000 0.809 131 L CB 1.481 43.538 42.059 -0.002 0.000 1.124 131 L HN 0.836 nan 8.230 nan 0.000 0.456 132 G N 0.932 109.741 108.800 0.014 0.000 3.006 132 G HA2 -0.108 3.851 3.960 -0.001 0.000 0.195 132 G HA3 -0.108 3.851 3.960 -0.001 0.000 0.195 132 G C 0.322 175.236 174.900 0.023 0.000 1.034 132 G CA -0.201 44.914 45.100 0.025 0.000 0.807 132 G HN 0.952 nan 8.290 nan 0.000 0.469 133 G N -0.324 108.484 108.800 0.014 0.000 2.574 133 G HA2 0.550 4.510 3.960 -0.001 0.000 0.248 133 G HA3 0.550 4.510 3.960 -0.001 0.000 0.248 133 G C 1.179 176.085 174.900 0.009 0.000 1.422 133 G CA 0.473 45.578 45.100 0.009 0.000 1.051 133 G HN 1.126 nan 8.290 nan 0.000 0.560 134 G N -1.841 106.962 108.800 0.005 0.000 2.576 134 G HA2 0.119 4.078 3.960 -0.001 0.000 0.210 134 G HA3 0.119 4.078 3.960 -0.001 0.000 0.210 134 G C 1.574 176.476 174.900 0.004 0.000 1.143 134 G CA 1.416 46.520 45.100 0.006 0.000 0.819 134 G HN 0.534 nan 8.290 nan 0.000 0.534 135 T N 0.931 115.486 114.554 0.001 0.000 2.809 135 T HA 0.053 4.402 4.350 -0.001 0.000 0.260 135 T C 2.484 177.185 174.700 0.002 0.000 1.039 135 T CA 1.326 63.426 62.100 -0.000 0.000 1.141 135 T CB -0.436 68.430 68.868 -0.003 0.000 0.869 135 T HN 0.275 nan 8.240 nan 0.000 0.437 136 G N 1.417 110.218 108.800 0.002 0.000 2.404 136 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.215 136 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.215 136 G C 1.723 176.628 174.900 0.009 0.000 1.174 136 G CA 1.410 46.513 45.100 0.005 0.000 0.780 136 G HN 0.459 nan 8.290 nan 0.000 0.537 137 T N 0.866 115.426 114.554 0.010 0.000 2.788 137 T HA -0.037 4.312 4.350 -0.001 0.000 0.268 137 T C 2.408 177.118 174.700 0.017 0.000 1.044 137 T CA 1.499 63.609 62.100 0.016 0.000 1.139 137 T CB -0.369 68.509 68.868 0.017 0.000 0.867 137 T HN 0.353 nan 8.240 nan 0.000 0.454 138 G N 1.124 109.931 108.800 0.011 0.000 2.411 138 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.213 138 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.213 138 G C 1.881 176.783 174.900 0.002 0.000 1.166 138 G CA 0.894 45.999 45.100 0.009 0.000 0.802 138 G HN 0.611 nan 8.290 nan 0.000 0.533 139 S N 0.886 116.586 115.700 0.001 0.000 2.446 139 S HA 0.337 4.806 4.470 -0.001 0.000 0.225 139 S C 2.559 177.157 174.600 -0.005 0.000 1.016 139 S CA 1.172 59.369 58.200 -0.005 0.000 0.943 139 S CB -0.146 63.052 63.200 -0.003 0.000 0.786 139 S HN 0.480 nan 8.310 nan 0.000 0.508 140 A N 3.312 126.136 122.820 0.006 0.000 1.892 140 A HA 0.021 4.340 4.320 -0.001 0.000 0.218 140 A C 0.109 177.698 177.584 0.008 0.000 1.188 140 A CA 1.766 53.811 52.037 0.013 0.000 0.631 140 A CB -1.933 17.081 19.000 0.023 0.000 0.822 140 A HN 0.538 nan 8.150 nan 0.000 0.447 141 P HA -0.069 nan 4.420 nan 0.000 0.220 141 P C 1.473 178.710 177.300 -0.105 0.000 1.148 141 P CA 1.098 64.198 63.100 -0.001 0.000 0.803 141 P CB -0.023 31.695 31.700 0.031 0.000 0.782 142 V N -0.865 118.997 119.914 -0.087 0.000 2.407 142 V HA -0.147 3.972 4.120 -0.001 0.000 0.245 142 V C 2.389 178.434 176.094 -0.082 0.000 1.041 142 V CA 1.478 63.711 62.300 -0.111 0.000 1.040 142 V CB -1.110 30.672 31.823 -0.067 0.000 0.671 142 V HN -0.050 nan 8.190 nan 0.000 0.455 143 V N 0.682 120.571 119.914 -0.041 0.000 2.343 143 V HA -0.249 3.870 4.120 -0.001 0.000 0.247 143 V C 2.731 178.815 176.094 -0.017 0.000 1.051 143 V CA 2.029 64.317 62.300 -0.020 0.000 1.036 143 V CB -1.187 30.636 31.823 -0.000 0.000 0.654 143 V HN 0.543 nan 8.190 nan 0.000 0.451 144 A N -0.184 122.628 122.820 -0.014 0.000 1.933 144 A HA -0.265 4.054 4.320 -0.001 0.000 0.218 144 A C 2.302 179.891 177.584 0.009 0.000 1.175 144 A CA 1.916 53.960 52.037 0.012 0.000 0.628 144 A CB -0.485 18.544 19.000 0.048 0.000 0.814 144 A HN 0.647 nan 8.150 nan 0.000 0.444 145 E N -0.309 119.845 120.200 -0.078 0.000 2.106 145 E HA -0.169 4.180 4.350 -0.001 0.000 0.192 145 E C 1.702 178.279 176.600 -0.038 0.000 0.984 145 E CA 1.262 57.598 56.400 -0.107 0.000 0.806 145 E CB -0.121 29.325 29.700 -0.422 0.000 0.750 145 E HN 0.462 nan 8.360 nan 0.000 0.458 146 I N 0.971 121.514 120.570 -0.045 0.000 2.252 146 I HA -0.194 3.976 4.170 -0.001 0.000 0.245 146 I C 2.559 178.676 176.117 -0.000 0.000 1.102 146 I CA 1.009 62.297 61.300 -0.020 0.000 1.385 146 I CB -1.567 36.421 38.000 -0.019 0.000 1.064 146 I HN 0.155 nan 8.210 nan 0.000 0.414 147 S N 0.604 116.307 115.700 0.004 0.000 2.356 147 S HA -0.193 4.277 4.470 -0.001 0.000 0.223 147 S C 2.060 176.672 174.600 0.020 0.000 1.032 147 S CA 1.384 59.592 58.200 0.014 0.000 1.005 147 S CB -0.028 63.180 63.200 0.014 0.000 0.867 147 S HN 0.360 nan 8.310 nan 0.000 0.449 148 K N 0.385 120.801 120.400 0.027 0.000 2.097 148 K HA -0.069 4.250 4.320 -0.001 0.000 0.205 148 K C 2.291 178.908 176.600 0.030 0.000 1.050 148 K CA 1.146 57.453 56.287 0.033 0.000 0.938 148 K CB -0.191 32.342 32.500 0.054 0.000 0.718 148 K HN 0.226 nan 8.250 nan 0.000 0.442 149 K N 1.492 121.908 120.400 0.027 0.000 2.103 149 K HA -0.130 4.189 4.320 -0.001 0.000 0.207 149 K C 1.905 178.515 176.600 0.016 0.000 1.048 149 K CA 1.299 57.598 56.287 0.021 0.000 0.930 149 K CB -0.096 32.412 32.500 0.013 0.000 0.716 149 K HN 0.286 nan 8.250 nan 0.000 0.444 150 I N -4.046 116.533 120.570 0.015 0.000 3.564 150 I HA 0.239 4.408 4.170 -0.001 0.000 0.294 150 I C 0.932 177.061 176.117 0.020 0.000 1.289 150 I CA 0.687 61.996 61.300 0.014 0.000 1.325 150 I CB 0.195 38.203 38.000 0.013 0.000 1.039 150 I HN 0.246 nan 8.210 nan 0.000 0.474 151 G N 1.215 110.030 108.800 0.024 0.000 2.159 151 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.227 151 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.227 151 G C 0.336 175.263 174.900 0.045 0.000 0.986 151 G CA -0.079 45.040 45.100 0.031 0.000 0.651 151 G HN 0.908 nan 8.290 nan 0.000 0.523 152 A N 0.279 123.125 122.820 0.043 0.000 2.322 152 A HA 0.728 5.047 4.320 -0.001 0.000 0.269 152 A C 0.679 178.291 177.584 0.047 0.000 1.094 152 A CA -0.325 51.748 52.037 0.060 0.000 0.807 152 A CB 0.716 19.746 19.000 0.050 0.000 1.047 152 A HN 1.077 nan 8.150 nan 0.000 0.487 153 L N 1.773 123.038 121.223 0.070 0.000 2.410 153 L HA 0.230 4.569 4.340 -0.001 0.000 0.273 153 L C -0.390 176.452 176.870 -0.046 0.000 1.144 153 L CA 0.319 55.164 54.840 0.008 0.000 0.863 153 L CB 0.629 42.698 42.059 0.017 0.000 1.140 153 L HN 0.741 nan 8.230 nan 0.000 0.463 154 T N 4.847 119.359 114.554 -0.071 0.000 2.821 154 T HA 0.420 4.770 4.350 -0.001 0.000 0.307 154 T C -0.260 174.353 174.700 -0.144 0.000 1.034 154 T CA -0.326 61.721 62.100 -0.089 0.000 0.953 154 T CB 1.182 70.034 68.868 -0.027 0.000 0.968 154 T HN 0.305 nan 8.240 nan 0.000 0.462 155 V N 2.540 122.293 119.914 -0.268 0.000 2.604 155 V HA 0.857 4.976 4.120 -0.001 0.000 0.305 155 V C -0.028 175.956 176.094 -0.184 0.000 1.043 155 V CA -1.024 61.092 62.300 -0.307 0.000 0.888 155 V CB 1.763 33.211 31.823 -0.626 0.000 0.995 155 V HN 0.972 nan 8.190 nan 0.000 0.429 156 A N 3.971 126.756 122.820 -0.059 0.000 2.342 156 A HA 0.887 5.206 4.320 -0.001 0.000 0.323 156 A C -0.955 176.669 177.584 0.068 0.000 1.125 156 A CA -0.569 51.485 52.037 0.027 0.000 0.785 156 A CB 1.705 20.722 19.000 0.028 0.000 1.221 156 A HN 0.742 nan 8.150 nan 0.000 0.463 157 V N 3.559 123.540 119.914 0.112 0.000 2.398 157 V HA 0.534 4.653 4.120 -0.001 0.000 0.282 157 V C -0.225 175.907 176.094 0.063 0.000 1.014 157 V CA -0.382 61.981 62.300 0.104 0.000 0.838 157 V CB 0.836 32.755 31.823 0.160 0.000 1.018 157 V HN 1.124 nan 8.190 nan 0.000 0.432 158 V N 1.814 121.747 119.914 0.032 0.000 3.102 158 V HA 0.975 5.094 4.120 -0.001 0.000 0.312 158 V C -0.093 175.990 176.094 -0.018 0.000 1.135 158 V CA -0.539 61.768 62.300 0.011 0.000 1.022 158 V CB 2.313 34.142 31.823 0.010 0.000 1.056 158 V HN 0.782 nan 8.190 nan 0.000 0.436 159 T N 0.691 115.225 114.554 -0.032 0.000 2.918 159 T HA 0.790 5.139 4.350 -0.001 0.000 0.286 159 T C -0.846 173.808 174.700 -0.078 0.000 1.026 159 T CA -0.665 61.392 62.100 -0.071 0.000 1.031 159 T CB 1.658 70.471 68.868 -0.091 0.000 1.046 159 T HN 0.664 nan 8.240 nan 0.000 0.479 160 L N 3.358 124.512 121.223 -0.114 0.000 2.325 160 L HA 0.580 4.919 4.340 -0.001 0.000 0.279 160 L C -1.967 174.822 176.870 -0.135 0.000 1.054 160 L CA -2.348 52.431 54.840 -0.103 0.000 0.804 160 L CB 1.077 43.069 42.059 -0.113 0.000 1.200 160 L HN 0.579 nan 8.230 nan 0.000 0.436 161 P HA 0.066 nan 4.420 nan 0.000 0.272 161 P C -0.456 176.817 177.300 -0.045 0.000 1.240 161 P CA -0.236 62.848 63.100 -0.028 0.000 0.791 161 P CB 0.420 32.169 31.700 0.082 0.000 0.978 162 F N -0.337 119.654 119.950 0.069 0.000 2.490 162 F HA -0.029 4.497 4.527 -0.001 0.000 0.336 162 F C 2.150 177.998 175.800 0.081 0.000 1.178 162 F CA -0.003 58.033 58.000 0.059 0.000 1.301 162 F CB -0.109 38.916 39.000 0.042 0.000 1.175 162 F HN 0.142 nan 8.300 nan 0.000 0.593 163 V N 1.527 121.619 119.914 0.298 0.000 2.548 163 V HA -0.261 3.858 4.120 -0.001 0.000 0.249 163 V C 1.913 178.094 176.094 0.145 0.000 1.055 163 V CA 1.788 64.191 62.300 0.171 0.000 1.065 163 V CB -0.977 30.920 31.823 0.123 0.000 0.681 163 V HN 0.905 nan 8.190 nan 0.000 0.462 164 M N 0.092 119.784 119.600 0.153 0.000 2.435 164 M HA -0.146 4.333 4.480 -0.001 0.000 0.262 164 M C 1.733 178.097 176.300 0.107 0.000 1.065 164 M CA 2.303 57.654 55.300 0.086 0.000 1.076 164 M CB -1.052 31.566 32.600 0.028 0.000 1.403 164 M HN 0.436 nan 8.290 nan 0.000 0.454 165 E N 1.521 121.821 120.200 0.167 0.000 2.347 165 E HA 0.220 4.569 4.350 -0.001 0.000 0.196 165 E C 1.009 177.675 176.600 0.109 0.000 1.008 165 E CA 0.382 56.880 56.400 0.163 0.000 0.852 165 E CB -0.047 29.788 29.700 0.225 0.000 0.783 165 E HN 0.766 nan 8.360 nan 0.000 0.505 166 G N 1.135 109.991 108.800 0.093 0.000 2.663 166 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.686 166 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.686 166 G C 0.203 175.138 174.900 0.058 0.000 1.288 166 G CA -0.341 44.799 45.100 0.066 0.000 0.836 166 G HN -0.109 nan 8.290 nan 0.000 0.584 167 K N -0.322 120.105 120.400 0.045 0.000 2.026 167 K HA -0.054 4.265 4.320 -0.001 0.000 0.208 167 K C 2.796 179.418 176.600 0.037 0.000 1.048 167 K CA 1.802 58.112 56.287 0.038 0.000 0.929 167 K CB -0.738 31.781 32.500 0.031 0.000 0.713 167 K HN 0.482 nan 8.250 nan 0.000 0.439 168 V N 1.188 121.124 119.914 0.036 0.000 2.407 168 V HA -0.211 3.908 4.120 -0.001 0.000 0.248 168 V C 2.560 178.676 176.094 0.036 0.000 1.055 168 V CA 1.680 64.000 62.300 0.033 0.000 1.049 168 V CB -0.496 31.345 31.823 0.031 0.000 0.662 168 V HN 0.269 nan 8.190 nan 0.000 0.455 169 R N -0.828 119.699 120.500 0.045 0.000 2.092 169 R HA -0.115 4.224 4.340 -0.001 0.000 0.231 169 R C 2.189 178.515 176.300 0.042 0.000 1.119 169 R CA 1.668 57.797 56.100 0.049 0.000 0.970 169 R CB -0.256 30.086 30.300 0.070 0.000 0.864 169 R HN 0.459 nan 8.270 nan 0.000 0.440 170 M N 0.496 120.121 119.600 0.042 0.000 2.156 170 M HA -0.073 4.406 4.480 -0.001 0.000 0.264 170 M C 1.965 178.279 176.300 0.023 0.000 1.067 170 M CA 1.693 57.011 55.300 0.029 0.000 1.131 170 M CB -0.043 32.575 32.600 0.030 0.000 1.368 170 M HN -0.091 nan 8.290 nan 0.000 0.416 171 K N -0.201 120.216 120.400 0.029 0.000 2.063 171 K HA -0.193 4.126 4.320 -0.001 0.000 0.208 171 K C 1.583 178.201 176.600 0.031 0.000 1.048 171 K CA 2.202 58.507 56.287 0.030 0.000 0.928 171 K CB -0.304 32.214 32.500 0.030 0.000 0.713 171 K HN 0.582 nan 8.250 nan 0.000 0.442 172 N N -0.239 118.478 118.700 0.029 0.000 2.188 172 N HA -0.136 4.604 4.740 -0.001 0.000 0.184 172 N C 1.770 177.296 175.510 0.026 0.000 1.018 172 N CA 0.749 53.816 53.050 0.028 0.000 0.858 172 N CB -0.110 38.392 38.487 0.026 0.000 0.989 172 N HN 0.265 nan 8.380 nan 0.000 0.426 173 A N 1.331 124.164 122.820 0.020 0.000 1.873 173 A HA -0.112 4.207 4.320 -0.001 0.000 0.215 173 A C 2.149 179.738 177.584 0.008 0.000 1.186 173 A CA 1.147 53.190 52.037 0.010 0.000 0.616 173 A CB -0.277 18.721 19.000 -0.002 0.000 0.823 173 A HN 0.111 nan 8.150 nan 0.000 0.442 174 M N -0.167 119.439 119.600 0.010 0.000 2.086 174 M HA -0.137 4.342 4.480 -0.001 0.000 0.261 174 M C 1.888 178.232 176.300 0.074 0.000 1.067 174 M CA 1.536 56.848 55.300 0.021 0.000 1.116 174 M CB -1.626 30.990 32.600 0.026 0.000 1.348 174 M HN 0.533 nan 8.290 nan 0.000 0.407 175 E N -0.366 119.873 120.200 0.064 0.000 2.153 175 E HA -0.117 4.232 4.350 -0.001 0.000 0.194 175 E C 2.084 178.727 176.600 0.072 0.000 0.988 175 E CA 1.080 57.523 56.400 0.071 0.000 0.811 175 E CB -0.315 29.416 29.700 0.052 0.000 0.746 175 E HN 0.636 nan 8.360 nan 0.000 0.466 176 G N 1.126 109.960 108.800 0.057 0.000 2.403 176 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.216 176 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.216 176 G C 1.536 176.479 174.900 0.072 0.000 1.154 176 G CA 0.206 45.339 45.100 0.055 0.000 0.784 176 G HN 0.121 nan 8.290 nan 0.000 0.538 177 L N 0.662 121.929 121.223 0.074 0.000 2.046 177 L HA 0.030 4.369 4.340 -0.001 0.000 0.208 177 L C 2.655 179.634 176.870 0.182 0.000 1.077 177 L CA 2.354 57.252 54.840 0.096 0.000 0.747 177 L CB -0.417 41.660 42.059 0.030 0.000 0.896 177 L HN 0.293 nan 8.230 nan 0.000 0.432 178 E N -0.102 120.225 120.200 0.212 0.000 2.038 178 E HA -0.267 4.082 4.350 -0.001 0.000 0.195 178 E C 2.447 179.111 176.600 0.106 0.000 1.000 178 E CA 1.659 58.170 56.400 0.184 0.000 0.803 178 E CB -0.268 29.520 29.700 0.146 0.000 0.750 178 E HN 0.346 nan 8.360 nan 0.000 0.448 179 R N -0.612 119.948 120.500 0.100 0.000 2.105 179 R HA -0.142 4.197 4.340 -0.001 0.000 0.239 179 R C 2.344 178.734 176.300 0.149 0.000 1.135 179 R CA 1.375 57.541 56.100 0.109 0.000 0.967 179 R CB -0.409 29.949 30.300 0.097 0.000 0.861 179 R HN 0.271 nan 8.270 nan 0.000 0.442 180 L N 1.221 122.519 121.223 0.124 0.000 2.217 180 L HA -0.097 4.242 4.340 -0.001 0.000 0.211 180 L C 2.042 178.975 176.870 0.104 0.000 1.107 180 L CA 1.697 56.610 54.840 0.123 0.000 0.783 180 L CB -0.300 41.811 42.059 0.087 0.000 0.919 180 L HN -0.018 nan 8.230 nan 0.000 0.442 181 K N -0.743 119.709 120.400 0.087 0.000 2.097 181 K HA -0.205 4.114 4.320 -0.001 0.000 0.206 181 K C 1.922 178.511 176.600 -0.019 0.000 1.049 181 K CA 1.704 58.022 56.287 0.052 0.000 0.933 181 K CB -0.033 32.506 32.500 0.064 0.000 0.717 181 K HN 0.525 nan 8.250 nan 0.000 0.442 182 Q N -1.048 118.709 119.800 -0.073 0.000 2.436 182 Q HA -0.091 4.248 4.340 -0.001 0.000 0.209 182 Q C 0.366 176.099 176.000 -0.446 0.000 0.965 182 Q CA 0.703 56.348 55.803 -0.264 0.000 0.910 182 Q CB 0.245 28.771 28.738 -0.353 0.000 0.980 182 Q HN 0.437 nan 8.270 nan 0.000 0.491 183 H N -1.183 117.888 119.070 0.001 0.000 2.575 183 H HA 0.273 4.829 4.556 -0.001 0.000 0.256 183 H C -0.479 174.845 175.328 -0.007 0.000 1.162 183 H CA 0.086 56.132 56.048 -0.003 0.000 0.969 183 H CB 1.052 30.815 29.762 0.001 0.000 1.796 183 H HN -0.076 nan 8.280 nan 0.000 0.607 184 T N 0.150 114.733 114.554 0.050 0.000 2.893 184 T HA 0.159 4.509 4.350 -0.001 0.000 0.293 184 T C 0.560 175.254 174.700 -0.010 0.000 1.027 184 T CA -0.512 61.602 62.100 0.023 0.000 0.988 184 T CB 1.978 70.864 68.868 0.030 0.000 1.043 184 T HN 0.056 nan 8.240 nan 0.000 0.461 185 D N 1.521 121.904 120.400 -0.029 0.000 2.110 185 D HA 0.072 4.711 4.640 -0.001 0.000 0.202 185 D C 0.915 177.189 176.300 -0.043 0.000 0.975 185 D CA 1.225 55.199 54.000 -0.043 0.000 0.839 185 D CB 0.212 40.974 40.800 -0.062 0.000 0.996 185 D HN 0.566 nan 8.370 nan 0.000 0.464 186 T N -0.199 114.322 114.554 -0.054 0.000 2.886 186 T HA 0.464 4.813 4.350 -0.001 0.000 0.292 186 T C -1.639 173.046 174.700 -0.025 0.000 1.012 186 T CA -0.860 61.218 62.100 -0.036 0.000 0.982 186 T CB 1.257 70.100 68.868 -0.043 0.000 1.018 186 T HN -0.106 nan 8.240 nan 0.000 0.451 187 L N 6.384 127.611 121.223 0.007 0.000 2.318 187 L HA 0.667 5.006 4.340 -0.001 0.000 0.277 187 L C -1.051 175.837 176.870 0.029 0.000 1.008 187 L CA -0.545 54.309 54.840 0.024 0.000 0.846 187 L CB 1.055 43.144 42.059 0.049 0.000 1.220 187 L HN 0.532 nan 8.230 nan 0.000 0.423 188 V N 6.137 126.069 119.914 0.030 0.000 2.368 188 V HA 0.368 4.487 4.120 -0.001 0.000 0.266 188 V C 0.012 176.116 176.094 0.018 0.000 1.045 188 V CA -0.570 61.749 62.300 0.033 0.000 0.899 188 V CB 1.154 33.011 31.823 0.058 0.000 1.006 188 V HN 0.544 nan 8.190 nan 0.000 0.470 189 V N 5.025 124.936 119.914 -0.004 0.000 2.394 189 V HA 0.570 4.690 4.120 -0.001 0.000 0.282 189 V C -0.213 175.855 176.094 -0.044 0.000 1.031 189 V CA -0.673 61.606 62.300 -0.035 0.000 0.881 189 V CB 1.649 33.426 31.823 -0.078 0.000 0.982 189 V HN 0.582 nan 8.190 nan 0.000 0.451 190 I N 5.453 125.990 120.570 -0.054 0.000 2.354 190 I HA 0.423 4.593 4.170 -0.001 0.000 0.286 190 I C -2.717 173.333 176.117 -0.110 0.000 1.007 190 I CA -2.189 59.069 61.300 -0.069 0.000 1.167 190 I CB 1.662 39.623 38.000 -0.064 0.000 1.320 190 I HN 0.432 nan 8.210 nan 0.000 0.458 191 P HA 0.334 nan 4.420 nan 0.000 0.280 191 P C 0.544 177.718 177.300 -0.210 0.000 1.386 191 P CA -0.220 62.793 63.100 -0.145 0.000 0.899 191 P CB 0.319 31.956 31.700 -0.106 0.000 1.098 192 N N 1.960 120.448 118.700 -0.353 0.000 2.184 192 N HA -0.267 4.473 4.740 -0.001 0.000 0.190 192 N C 1.519 176.707 175.510 -0.538 0.000 1.011 192 N CA 0.815 53.474 53.050 -0.651 0.000 0.867 192 N CB -0.037 37.649 38.487 -1.335 0.000 0.993 192 N HN 0.441 nan 8.380 nan 0.000 0.433 193 E N 1.411 121.458 120.200 -0.256 0.000 2.209 193 E HA -0.152 4.197 4.350 -0.001 0.000 0.196 193 E C 1.237 177.871 176.600 0.058 0.000 0.993 193 E CA 1.150 57.585 56.400 0.058 0.000 0.819 193 E CB 0.156 29.929 29.700 0.121 0.000 0.745 193 E HN 0.124 nan 8.360 nan 0.000 0.477 194 K N -0.153 120.226 120.400 -0.035 0.000 2.365 194 K HA -0.052 4.267 4.320 -0.001 0.000 0.199 194 K C 1.667 178.246 176.600 -0.035 0.000 1.045 194 K CA 0.284 56.566 56.287 -0.008 0.000 0.962 194 K CB -0.252 32.231 32.500 -0.029 0.000 0.759 194 K HN 0.196 nan 8.250 nan 0.000 0.469 195 L N 0.065 121.207 121.223 -0.134 0.000 2.261 195 L HA -0.087 4.252 4.340 -0.001 0.000 0.216 195 L C 1.862 178.632 176.870 -0.167 0.000 1.114 195 L CA 1.390 56.126 54.840 -0.173 0.000 0.777 195 L CB -0.898 41.023 42.059 -0.231 0.000 0.910 195 L HN 0.080 nan 8.230 nan 0.000 0.440 196 F N -0.459 119.537 119.950 0.076 0.000 2.407 196 F HA -0.110 4.416 4.527 -0.001 0.000 0.299 196 F C 2.242 178.054 175.800 0.019 0.000 1.097 196 F CA 0.479 58.502 58.000 0.039 0.000 1.422 196 F CB -0.105 38.916 39.000 0.034 0.000 1.067 196 F HN 0.189 nan 8.300 nan 0.000 0.539 197 E N 0.258 120.554 120.200 0.159 0.000 2.358 197 E HA -0.092 4.257 4.350 -0.001 0.000 0.195 197 E C 2.057 178.693 176.600 0.060 0.000 1.010 197 E CA 0.634 57.091 56.400 0.096 0.000 0.856 197 E CB 0.051 29.790 29.700 0.065 0.000 0.795 197 E HN 0.518 nan 8.360 nan 0.000 0.504 198 I N 0.089 120.686 120.570 0.045 0.000 2.494 198 I HA -0.046 4.123 4.170 -0.001 0.000 0.250 198 I C 1.060 177.198 176.117 0.034 0.000 1.112 198 I CA 0.477 61.791 61.300 0.024 0.000 1.438 198 I CB 0.721 38.721 38.000 -0.000 0.000 1.111 198 I HN -0.103 nan 8.210 nan 0.000 0.431 199 V N 2.180 122.127 119.914 0.055 0.000 2.465 199 V HA 0.291 4.410 4.120 -0.001 0.000 0.263 199 V C -1.972 174.203 176.094 0.135 0.000 0.981 199 V CA -1.657 60.683 62.300 0.068 0.000 0.838 199 V CB 0.979 32.829 31.823 0.046 0.000 1.068 199 V HN -0.067 nan 8.190 nan 0.000 0.458 200 P HA -0.165 nan 4.420 nan 0.000 0.218 200 P C 0.062 177.416 177.300 0.090 0.000 1.165 200 P CA 1.669 64.836 63.100 0.113 0.000 0.922 200 P CB 0.037 31.769 31.700 0.053 0.000 0.794 201 N N -0.795 117.937 118.700 0.053 0.000 2.699 201 N HA 0.356 5.095 4.740 -0.001 0.000 0.232 201 N C -0.422 175.116 175.510 0.046 0.000 1.027 201 N CA -0.100 52.959 53.050 0.014 0.000 0.920 201 N CB -0.032 38.448 38.487 -0.011 0.000 1.148 201 N HN 0.090 nan 8.380 nan 0.000 0.509 202 M N 1.709 121.368 119.600 0.099 0.000 2.535 202 M HA 0.669 5.148 4.480 -0.001 0.000 0.314 202 M C -2.769 173.581 176.300 0.083 0.000 1.153 202 M CA -1.732 53.638 55.300 0.117 0.000 0.924 202 M CB 1.987 34.704 32.600 0.196 0.000 1.710 202 M HN 0.142 nan 8.290 nan 0.000 0.451 203 P HA 0.178 nan 4.420 nan 0.000 0.287 203 P C 0.391 177.658 177.300 -0.054 0.000 1.270 203 P CA -0.818 62.270 63.100 -0.021 0.000 0.844 203 P CB 0.905 32.594 31.700 -0.018 0.000 1.068 204 L N 1.271 122.435 121.223 -0.099 0.000 2.129 204 L HA -0.191 4.148 4.340 -0.001 0.000 0.212 204 L C 1.663 178.467 176.870 -0.109 0.000 1.087 204 L CA 2.062 56.787 54.840 -0.191 0.000 0.757 204 L CB -0.547 41.431 42.059 -0.135 0.000 0.896 204 L HN 0.399 nan 8.230 nan 0.000 0.434 205 K N 0.402 120.786 120.400 -0.026 0.000 1.988 205 K HA -0.201 4.119 4.320 -0.001 0.000 0.221 205 K C 2.031 178.649 176.600 0.031 0.000 1.053 205 K CA 1.571 57.874 56.287 0.027 0.000 0.959 205 K CB -0.568 31.944 32.500 0.019 0.000 0.728 205 K HN 0.337 nan 8.250 nan 0.000 0.447 206 L N 0.461 121.685 121.223 0.000 0.000 2.465 206 L HA -0.000 4.339 4.340 -0.001 0.000 0.224 206 L C 2.355 179.208 176.870 -0.028 0.000 1.145 206 L CA 1.083 55.926 54.840 0.006 0.000 0.834 206 L CB -1.794 40.268 42.059 0.005 0.000 0.944 206 L HN 0.116 nan 8.230 nan 0.000 0.451 207 A N 0.667 123.405 122.820 -0.138 0.000 1.849 207 A HA -0.226 4.093 4.320 -0.001 0.000 0.217 207 A C 1.917 179.443 177.584 -0.097 0.000 1.202 207 A CA 1.637 53.486 52.037 -0.312 0.000 0.629 207 A CB -0.964 17.507 19.000 -0.882 0.000 0.834 207 A HN 0.295 nan 8.150 nan 0.000 0.447 208 F N 0.176 120.193 119.950 0.113 0.000 2.641 208 F HA -0.034 4.492 4.527 -0.001 0.000 0.298 208 F C 2.158 178.005 175.800 0.079 0.000 1.146 208 F CA 1.021 59.112 58.000 0.152 0.000 1.464 208 F CB -0.027 39.047 39.000 0.124 0.000 1.101 208 F HN 0.128 nan 8.300 nan 0.000 0.585 209 K N -0.258 120.253 120.400 0.185 0.000 2.166 209 K HA 0.071 4.390 4.320 -0.001 0.000 0.201 209 K C 2.235 178.881 176.600 0.077 0.000 1.052 209 K CA 0.723 57.079 56.287 0.114 0.000 0.969 209 K CB -0.656 31.889 32.500 0.075 0.000 0.761 209 K HN 0.163 nan 8.250 nan 0.000 0.459 210 V N 1.791 121.740 119.914 0.058 0.000 2.307 210 V HA -0.173 3.946 4.120 -0.001 0.000 0.245 210 V C 2.480 178.594 176.094 0.033 0.000 1.045 210 V CA 1.928 64.244 62.300 0.027 0.000 1.024 210 V CB -0.832 30.987 31.823 -0.006 0.000 0.651 210 V HN 0.226 nan 8.190 nan 0.000 0.449 211 A N -0.026 122.835 122.820 0.068 0.000 1.940 211 A HA -0.276 4.044 4.320 -0.001 0.000 0.219 211 A C 1.953 179.571 177.584 0.057 0.000 1.176 211 A CA 2.148 54.215 52.037 0.048 0.000 0.631 211 A CB -0.641 18.416 19.000 0.095 0.000 0.814 211 A HN 0.544 nan 8.150 nan 0.000 0.446 212 D N -0.579 119.874 120.400 0.088 0.000 2.097 212 D HA -0.115 4.524 4.640 -0.001 0.000 0.195 212 D C 1.955 178.274 176.300 0.032 0.000 0.989 212 D CA 1.511 55.548 54.000 0.062 0.000 0.827 212 D CB -0.317 40.523 40.800 0.067 0.000 0.966 212 D HN 0.416 nan 8.370 nan 0.000 0.456 213 E N 0.317 120.534 120.200 0.028 0.000 2.038 213 E HA -0.130 4.219 4.350 -0.001 0.000 0.195 213 E C 2.221 178.824 176.600 0.005 0.000 1.000 213 E CA 0.498 56.906 56.400 0.013 0.000 0.803 213 E CB -0.413 29.294 29.700 0.011 0.000 0.750 213 E HN 0.050 nan 8.360 nan 0.000 0.448 214 V N 0.608 120.523 119.914 0.001 0.000 2.255 214 V HA -0.284 3.835 4.120 -0.001 0.000 0.247 214 V C 2.507 178.599 176.094 -0.003 0.000 1.051 214 V CA 1.844 64.139 62.300 -0.007 0.000 1.018 214 V CB -0.559 31.251 31.823 -0.022 0.000 0.641 214 V HN 0.283 nan 8.190 nan 0.000 0.445 215 L N -0.980 120.243 121.223 0.001 0.000 2.013 215 L HA -0.244 4.095 4.340 -0.001 0.000 0.212 215 L C 2.372 179.242 176.870 0.001 0.000 1.073 215 L CA 1.750 56.592 54.840 0.004 0.000 0.753 215 L CB -0.417 41.648 42.059 0.009 0.000 0.890 215 L HN 0.263 nan 8.230 nan 0.000 0.432 216 I N -0.206 120.364 120.570 -0.001 0.000 2.286 216 I HA -0.298 3.871 4.170 -0.001 0.000 0.248 216 I C 2.271 178.381 176.117 -0.012 0.000 1.115 216 I CA 1.355 62.650 61.300 -0.010 0.000 1.392 216 I CB -0.638 37.358 38.000 -0.007 0.000 1.065 216 I HN 0.283 nan 8.210 nan 0.000 0.418 217 N N 0.337 119.035 118.700 -0.005 0.000 2.188 217 N HA -0.088 4.652 4.740 -0.001 0.000 0.184 217 N C 1.916 177.432 175.510 0.010 0.000 1.018 217 N CA 1.430 54.479 53.050 -0.002 0.000 0.858 217 N CB -0.097 38.388 38.487 -0.004 0.000 0.989 217 N HN 0.388 nan 8.380 nan 0.000 0.426 218 A N 0.982 123.810 122.820 0.013 0.000 1.841 218 A HA -0.062 4.257 4.320 -0.001 0.000 0.214 218 A C 2.533 180.131 177.584 0.022 0.000 1.195 218 A CA 1.240 53.296 52.037 0.032 0.000 0.611 218 A CB -0.850 18.172 19.000 0.036 0.000 0.835 218 A HN 0.073 nan 8.150 nan 0.000 0.443 219 V N 0.270 120.175 119.914 -0.014 0.000 2.295 219 V HA -0.255 3.864 4.120 -0.001 0.000 0.246 219 V C 2.555 178.537 176.094 -0.186 0.000 1.049 219 V CA 2.441 64.676 62.300 -0.109 0.000 1.024 219 V CB -0.677 31.088 31.823 -0.097 0.000 0.648 219 V HN 0.666 nan 8.190 nan 0.000 0.447 220 K N 0.173 120.514 120.400 -0.097 0.000 2.155 220 K HA -0.074 4.245 4.320 -0.001 0.000 0.203 220 K C 2.130 178.724 176.600 -0.010 0.000 1.052 220 K CA 1.251 57.492 56.287 -0.077 0.000 0.948 220 K CB -0.447 32.030 32.500 -0.038 0.000 0.728 220 K HN 0.487 nan 8.250 nan 0.000 0.448 221 G N 1.083 109.908 108.800 0.042 0.000 2.402 221 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.216 221 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.216 221 G C 1.425 176.434 174.900 0.183 0.000 1.162 221 G CA 0.466 45.676 45.100 0.182 0.000 0.777 221 G HN 0.185 nan 8.290 nan 0.000 0.539 222 L N 0.070 121.335 121.223 0.071 0.000 2.044 222 L HA -0.046 4.293 4.340 -0.001 0.000 0.205 222 L C 3.029 179.905 176.870 0.010 0.000 1.075 222 L CA 0.456 55.349 54.840 0.088 0.000 0.747 222 L CB -0.340 41.849 42.059 0.217 0.000 0.903 222 L HN 0.092 nan 8.230 nan 0.000 0.435 223 V N -0.023 119.781 119.914 -0.183 0.000 2.287 223 V HA -0.292 3.827 4.120 -0.001 0.000 0.248 223 V C 2.355 178.410 176.094 -0.065 0.000 1.053 223 V CA 1.895 64.082 62.300 -0.189 0.000 1.027 223 V CB -0.502 31.130 31.823 -0.319 0.000 0.646 223 V HN 0.479 nan 8.190 nan 0.000 0.447 224 E N -0.193 119.980 120.200 -0.044 0.000 2.106 224 E HA -0.228 4.122 4.350 -0.001 0.000 0.192 224 E C 2.151 178.666 176.600 -0.142 0.000 0.984 224 E CA 1.220 57.609 56.400 -0.018 0.000 0.806 224 E CB -0.264 29.499 29.700 0.105 0.000 0.750 224 E HN 0.457 nan 8.360 nan 0.000 0.458 225 L N 1.318 122.348 121.223 -0.321 0.000 2.042 225 L HA -0.203 4.136 4.340 -0.001 0.000 0.210 225 L C 1.979 178.732 176.870 -0.195 0.000 1.076 225 L CA 1.599 56.124 54.840 -0.525 0.000 0.749 225 L CB -0.184 41.626 42.059 -0.414 0.000 0.893 225 L HN 0.074 nan 8.230 nan 0.000 0.432 226 I N -1.361 119.174 120.570 -0.058 0.000 2.480 226 I HA -0.096 4.074 4.170 -0.001 0.000 0.251 226 I C 2.268 178.402 176.117 0.029 0.000 1.124 226 I CA 1.531 62.857 61.300 0.043 0.000 1.444 226 I CB -1.581 36.525 38.000 0.177 0.000 1.098 226 I HN 0.370 nan 8.210 nan 0.000 0.428 227 T N -0.293 114.260 114.554 -0.002 0.000 2.985 227 T HA 0.083 4.432 4.350 -0.001 0.000 0.254 227 T C 0.828 175.516 174.700 -0.020 0.000 1.021 227 T CA -0.172 61.921 62.100 -0.011 0.000 0.957 227 T CB 0.233 69.094 68.868 -0.011 0.000 1.047 227 T HN 0.045 nan 8.240 nan 0.000 0.511 228 K N 2.002 122.388 120.400 -0.023 0.000 2.201 228 K HA 0.220 4.539 4.320 -0.001 0.000 0.278 228 K C -1.011 175.585 176.600 -0.007 0.000 1.027 228 K CA -0.613 55.671 56.287 -0.005 0.000 0.909 228 K CB 0.628 33.144 32.500 0.027 0.000 1.062 228 K HN 0.053 nan 8.250 nan 0.000 0.465 229 D N 2.850 123.248 120.400 -0.003 0.000 2.434 229 D HA 0.092 4.731 4.640 -0.001 0.000 0.252 229 D C 0.243 176.549 176.300 0.010 0.000 1.185 229 D CA 0.530 54.527 54.000 -0.005 0.000 0.886 229 D CB 1.321 42.118 40.800 -0.005 0.000 1.148 229 D HN 0.731 nan 8.370 nan 0.000 0.483 230 G N 0.927 109.729 108.800 0.004 0.000 3.217 230 G HA2 0.383 4.342 3.960 -0.001 0.000 0.213 230 G HA3 0.383 4.342 3.960 -0.001 0.000 0.213 230 G C 0.726 175.639 174.900 0.023 0.000 1.294 230 G CA -0.635 44.482 45.100 0.029 0.000 0.987 230 G HN 0.427 nan 8.290 nan 0.000 0.584 231 L N -0.161 121.091 121.223 0.048 0.000 2.591 231 L HA 0.406 4.745 4.340 -0.001 0.000 0.228 231 L C 0.189 177.077 176.870 0.030 0.000 1.133 231 L CA 0.409 55.281 54.840 0.053 0.000 0.880 231 L CB -0.092 42.024 42.059 0.094 0.000 1.033 231 L HN 0.134 nan 8.230 nan 0.000 0.450 232 I N 0.173 120.725 120.570 -0.031 0.000 2.775 232 I HA 0.187 4.356 4.170 -0.001 0.000 0.295 232 I C -1.271 174.743 176.117 -0.171 0.000 1.287 232 I CA -0.489 60.735 61.300 -0.127 0.000 1.029 232 I CB 2.327 40.153 38.000 -0.289 0.000 1.282 232 I HN 0.024 nan 8.210 nan 0.000 0.426 233 N N 6.210 124.812 118.700 -0.162 0.000 2.472 233 N HA 0.251 4.990 4.740 -0.001 0.000 0.277 233 N C -1.151 174.241 175.510 -0.197 0.000 1.081 233 N CA -0.133 52.832 53.050 -0.141 0.000 0.973 233 N CB 1.914 40.346 38.487 -0.091 0.000 1.105 233 N HN 0.432 nan 8.380 nan 0.000 0.470 234 V N 2.260 122.075 119.914 -0.166 0.000 2.370 234 V HA 0.312 4.431 4.120 -0.001 0.000 0.279 234 V C -0.471 175.576 176.094 -0.078 0.000 1.029 234 V CA -0.793 61.405 62.300 -0.170 0.000 0.870 234 V CB 1.159 32.880 31.823 -0.170 0.000 0.984 234 V HN 0.686 nan 8.190 nan 0.000 0.451 235 D N 4.639 124.996 120.400 -0.072 0.000 2.316 235 D HA 0.141 4.780 4.640 -0.001 0.000 0.245 235 D C 0.674 176.991 176.300 0.028 0.000 1.171 235 D CA -0.351 53.642 54.000 -0.011 0.000 0.856 235 D CB 0.991 41.772 40.800 -0.032 0.000 1.090 235 D HN 0.604 nan 8.370 nan 0.000 0.476 236 F N 4.025 123.945 119.950 -0.049 0.000 2.192 236 F HA -0.254 4.273 4.527 0.000 0.000 0.301 236 F C 1.989 177.773 175.800 -0.026 0.000 1.079 236 F CA 1.866 59.847 58.000 -0.032 0.000 1.303 236 F CB 0.233 39.218 39.000 -0.024 0.000 1.024 236 F HN 0.513 nan 8.300 nan 0.000 0.494 237 A N -0.409 122.404 122.820 -0.012 0.000 2.019 237 A HA -0.172 4.147 4.320 -0.001 0.000 0.219 237 A C 1.909 179.403 177.584 -0.150 0.000 1.164 237 A CA 1.863 53.848 52.037 -0.088 0.000 0.644 237 A CB -0.693 18.308 19.000 0.002 0.000 0.805 237 A HN 0.460 nan 8.150 nan 0.000 0.449 238 D N -0.399 119.923 120.400 -0.130 0.000 2.183 238 D HA -0.039 4.600 4.640 -0.001 0.000 0.205 238 D C 2.083 178.287 176.300 -0.159 0.000 0.962 238 D CA 1.099 55.030 54.000 -0.116 0.000 0.849 238 D CB -0.270 40.478 40.800 -0.087 0.000 0.978 238 D HN 0.220 nan 8.370 nan 0.000 0.488 239 V N 1.512 121.291 119.914 -0.224 0.000 2.287 239 V HA -0.254 3.865 4.120 -0.001 0.000 0.248 239 V C 2.510 178.409 176.094 -0.325 0.000 1.053 239 V CA 1.661 63.809 62.300 -0.254 0.000 1.027 239 V CB -0.404 31.235 31.823 -0.307 0.000 0.646 239 V HN 0.139 nan 8.190 nan 0.000 0.447 240 K N -0.055 120.048 120.400 -0.495 0.000 2.097 240 K HA -0.123 4.196 4.320 -0.001 0.000 0.205 240 K C 2.178 178.650 176.600 -0.214 0.000 1.050 240 K CA 1.362 57.401 56.287 -0.415 0.000 0.938 240 K CB -0.280 31.925 32.500 -0.492 0.000 0.718 240 K HN 0.437 nan 8.250 nan 0.000 0.442 241 A N 0.419 123.137 122.820 -0.170 0.000 1.930 241 A HA -0.082 4.237 4.320 -0.001 0.000 0.217 241 A C 2.152 179.687 177.584 -0.082 0.000 1.175 241 A CA 1.438 53.414 52.037 -0.102 0.000 0.627 241 A CB -0.406 18.548 19.000 -0.077 0.000 0.815 241 A HN 0.160 nan 8.150 nan 0.000 0.443 242 V N -0.105 119.757 119.914 -0.087 0.000 2.346 242 V HA -0.220 3.899 4.120 -0.001 0.000 0.244 242 V C 2.557 178.615 176.094 -0.061 0.000 1.037 242 V CA 1.919 64.184 62.300 -0.058 0.000 1.029 242 V CB -0.655 31.142 31.823 -0.043 0.000 0.663 242 V HN 0.536 nan 8.190 nan 0.000 0.454 243 M N -0.190 119.358 119.600 -0.088 0.000 2.394 243 M HA -0.071 4.408 4.480 -0.001 0.000 0.264 243 M C 2.026 178.277 176.300 -0.081 0.000 1.073 243 M CA 0.866 56.115 55.300 -0.085 0.000 1.111 243 M CB -0.705 31.826 32.600 -0.115 0.000 1.401 243 M HN 0.376 nan 8.290 nan 0.000 0.448 244 N N 1.569 120.217 118.700 -0.086 0.000 2.192 244 N HA -0.138 4.601 4.740 -0.001 0.000 0.188 244 N C 0.122 175.603 175.510 -0.049 0.000 1.013 244 N CA 1.227 54.236 53.050 -0.068 0.000 0.863 244 N CB -0.068 38.380 38.487 -0.065 0.000 0.990 244 N HN 0.343 nan 8.380 nan 0.000 0.430 245 N N -1.258 117.416 118.700 -0.043 0.000 2.610 245 N HA 0.243 4.983 4.740 -0.001 0.000 0.307 245 N C 0.656 176.151 175.510 -0.025 0.000 1.813 245 N CA -0.153 52.877 53.050 -0.032 0.000 0.901 245 N CB 0.867 39.337 38.487 -0.028 0.000 1.354 245 N HN 0.039 nan 8.380 nan 0.000 0.491 246 G N -0.501 108.283 108.800 -0.027 0.000 2.572 246 G HA2 0.218 4.177 3.960 -0.001 0.000 0.216 246 G HA3 0.218 4.177 3.960 -0.001 0.000 0.216 246 G C 1.128 176.026 174.900 -0.003 0.000 1.133 246 G CA 0.376 45.467 45.100 -0.016 0.000 0.791 246 G HN 0.539 nan 8.290 nan 0.000 0.538 247 G N 0.108 108.905 108.800 -0.005 0.000 2.651 247 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.315 247 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.315 247 G C 0.228 175.147 174.900 0.032 0.000 1.258 247 G CA 0.302 45.407 45.100 0.008 0.000 1.002 247 G HN 0.724 nan 8.290 nan 0.000 0.551 248 L N 1.351 122.609 121.223 0.057 0.000 2.292 248 L HA 0.637 4.976 4.340 -0.001 0.000 0.284 248 L C 0.668 177.570 176.870 0.055 0.000 1.065 248 L CA -0.066 54.826 54.840 0.086 0.000 0.806 248 L CB 0.938 43.093 42.059 0.160 0.000 1.175 248 L HN 1.172 nan 8.230 nan 0.000 0.431 249 A N 6.299 129.144 122.820 0.042 0.000 2.423 249 A HA 0.869 5.189 4.320 -0.001 0.000 0.304 249 A C -0.933 176.665 177.584 0.023 0.000 1.104 249 A CA -0.724 51.332 52.037 0.031 0.000 0.757 249 A CB 2.075 21.092 19.000 0.029 0.000 1.313 249 A HN 0.755 nan 8.150 nan 0.000 0.423 250 M N 2.206 121.818 119.600 0.021 0.000 2.593 250 M HA 0.493 4.972 4.480 -0.001 0.000 0.290 250 M C -0.777 175.534 176.300 0.017 0.000 1.244 250 M CA -0.679 54.628 55.300 0.011 0.000 0.857 250 M CB 2.156 34.757 32.600 0.003 0.000 1.738 250 M HN 0.808 nan 8.290 nan 0.000 0.461 251 I N -0.765 119.812 120.570 0.012 0.000 3.237 251 I HA 1.019 5.188 4.170 -0.001 0.000 0.308 251 I C -0.841 175.282 176.117 0.011 0.000 1.093 251 I CA -0.608 60.704 61.300 0.019 0.000 1.001 251 I CB 1.917 39.933 38.000 0.026 0.000 1.245 251 I HN 0.693 nan 8.210 nan 0.000 0.485 252 G N 3.069 111.878 108.800 0.015 0.000 2.753 252 G HA2 0.655 4.614 3.960 -0.001 0.000 0.297 252 G HA3 0.655 4.614 3.960 -0.001 0.000 0.297 252 G C -1.600 173.305 174.900 0.009 0.000 1.430 252 G CA -0.535 44.570 45.100 0.008 0.000 1.040 252 G HN 0.607 nan 8.290 nan 0.000 0.530 253 I N 1.183 121.754 120.570 0.002 0.000 2.498 253 I HA 0.746 4.915 4.170 -0.001 0.000 0.290 253 I C 0.376 176.490 176.117 -0.005 0.000 1.032 253 I CA -0.787 60.513 61.300 -0.001 0.000 1.073 253 I CB 2.565 40.562 38.000 -0.004 0.000 1.251 253 I HN 0.698 nan 8.210 nan 0.000 0.426 254 G N 4.304 113.100 108.800 -0.008 0.000 2.690 254 G HA2 0.760 4.719 3.960 -0.001 0.000 0.293 254 G HA3 0.760 4.719 3.960 -0.001 0.000 0.293 254 G C -1.826 173.065 174.900 -0.015 0.000 1.399 254 G CA -0.409 44.685 45.100 -0.010 0.000 0.890 254 G HN 0.711 nan 8.290 nan 0.000 0.485 255 E N -1.043 119.148 120.200 -0.014 0.000 2.378 255 E HA 0.577 4.926 4.350 -0.001 0.000 0.283 255 E C -1.821 174.770 176.600 -0.014 0.000 0.979 255 E CA -0.872 55.517 56.400 -0.017 0.000 0.795 255 E CB 1.668 31.356 29.700 -0.020 0.000 1.221 255 E HN 0.494 nan 8.360 nan 0.000 0.428 256 S N 0.655 116.347 115.700 -0.014 0.000 2.513 256 S HA 0.280 4.749 4.470 -0.001 0.000 0.299 256 S C -0.578 174.015 174.600 -0.011 0.000 1.087 256 S CA -0.463 57.730 58.200 -0.012 0.000 1.012 256 S CB 1.732 64.925 63.200 -0.012 0.000 1.044 256 S HN 0.646 nan 8.310 nan 0.000 0.485 257 D N 2.108 122.503 120.400 -0.009 0.000 2.380 257 D HA 0.185 4.824 4.640 -0.001 0.000 0.212 257 D C 1.028 177.325 176.300 -0.006 0.000 1.021 257 D CA 0.486 54.482 54.000 -0.007 0.000 0.884 257 D CB 0.171 40.967 40.800 -0.006 0.000 1.001 257 D HN 0.532 nan 8.370 nan 0.000 0.506 258 S N 0.259 115.955 115.700 -0.006 0.000 2.870 258 S HA -0.015 4.454 4.470 -0.001 0.000 0.251 258 S C 1.031 175.627 174.600 -0.006 0.000 1.430 258 S CA 0.141 58.338 58.200 -0.006 0.000 1.033 258 S CB 0.155 63.352 63.200 -0.006 0.000 0.858 258 S HN 0.105 nan 8.310 nan 0.000 0.505 259 E N -0.292 119.905 120.200 -0.006 0.000 2.641 259 E HA 0.113 4.462 4.350 -0.001 0.000 0.224 259 E C 0.074 176.670 176.600 -0.007 0.000 0.951 259 E CA 0.055 56.451 56.400 -0.006 0.000 1.102 259 E CB 0.363 30.060 29.700 -0.005 0.000 1.091 259 E HN 0.440 nan 8.360 nan 0.000 0.507 260 K N 0.979 121.374 120.400 -0.009 0.000 2.493 260 K HA 0.292 4.611 4.320 -0.001 0.000 0.207 260 K C 1.210 177.803 176.600 -0.013 0.000 1.033 260 K CA -0.308 55.973 56.287 -0.011 0.000 1.161 260 K CB 0.562 33.056 32.500 -0.010 0.000 0.873 260 K HN 0.000 nan 8.250 nan 0.000 0.491 261 R N 1.396 121.889 120.500 -0.012 0.000 2.335 261 R HA -0.327 4.012 4.340 -0.001 0.000 0.219 261 R C 2.111 178.400 176.300 -0.017 0.000 1.088 261 R CA 2.358 58.450 56.100 -0.013 0.000 0.828 261 R CB -1.462 28.831 30.300 -0.012 0.000 0.902 261 R HN 0.303 nan 8.270 nan 0.000 0.409 262 A N 1.390 124.198 122.820 -0.020 0.000 1.894 262 A HA -0.367 3.953 4.320 -0.001 0.000 0.220 262 A C 2.213 179.780 177.584 -0.028 0.000 1.237 262 A CA 2.559 54.579 52.037 -0.028 0.000 0.660 262 A CB -0.763 18.216 19.000 -0.035 0.000 0.835 262 A HN 0.438 nan 8.150 nan 0.000 0.461 263 K N -0.108 120.277 120.400 -0.026 0.000 2.113 263 K HA -0.203 4.117 4.320 -0.001 0.000 0.208 263 K C 1.839 178.427 176.600 -0.020 0.000 1.047 263 K CA 2.215 58.487 56.287 -0.024 0.000 0.928 263 K CB -0.234 32.254 32.500 -0.021 0.000 0.716 263 K HN 0.727 nan 8.250 nan 0.000 0.446 264 E N -0.859 119.331 120.200 -0.017 0.000 2.086 264 E HA -0.014 4.335 4.350 -0.001 0.000 0.190 264 E C 2.033 178.624 176.600 -0.014 0.000 0.975 264 E CA 0.639 57.030 56.400 -0.014 0.000 0.813 264 E CB -0.101 29.592 29.700 -0.011 0.000 0.768 264 E HN 0.406 nan 8.360 nan 0.000 0.457 265 A N 1.389 124.200 122.820 -0.016 0.000 1.858 265 A HA -0.157 4.162 4.320 -0.001 0.000 0.216 265 A C 2.536 180.111 177.584 -0.015 0.000 1.190 265 A CA 1.384 53.412 52.037 -0.016 0.000 0.617 265 A CB -0.835 18.154 19.000 -0.019 0.000 0.827 265 A HN 0.108 nan 8.150 nan 0.000 0.443 266 V N 1.195 121.097 119.914 -0.019 0.000 2.407 266 V HA -0.257 3.862 4.120 -0.001 0.000 0.248 266 V C 2.935 179.020 176.094 -0.015 0.000 1.055 266 V CA 2.386 64.675 62.300 -0.019 0.000 1.049 266 V CB -1.221 30.584 31.823 -0.029 0.000 0.662 266 V HN 0.797 nan 8.190 nan 0.000 0.455 267 S N -0.035 115.656 115.700 -0.015 0.000 2.383 267 S HA -0.233 4.236 4.470 -0.001 0.000 0.227 267 S C 2.018 176.614 174.600 -0.008 0.000 1.026 267 S CA 1.775 59.969 58.200 -0.011 0.000 0.981 267 S CB -0.546 62.648 63.200 -0.011 0.000 0.818 267 S HN 0.553 nan 8.310 nan 0.000 0.472 268 M N 1.920 121.516 119.600 -0.008 0.000 2.099 268 M HA 0.005 4.484 4.480 -0.001 0.000 0.262 268 M C 2.371 178.668 176.300 -0.004 0.000 1.067 268 M CA 1.707 57.003 55.300 -0.005 0.000 1.124 268 M CB -0.580 32.016 32.600 -0.006 0.000 1.353 268 M HN 0.455 nan 8.290 nan 0.000 0.410 269 A N 0.621 123.438 122.820 -0.005 0.000 1.883 269 A HA -0.168 4.151 4.320 -0.001 0.000 0.217 269 A C 2.019 179.603 177.584 0.000 0.000 1.186 269 A CA 1.677 53.713 52.037 -0.002 0.000 0.624 269 A CB -1.154 17.846 19.000 0.000 0.000 0.822 269 A HN 0.608 nan 8.150 nan 0.000 0.444 270 L N -0.933 120.289 121.223 -0.002 0.000 2.201 270 L HA -0.143 4.196 4.340 -0.001 0.000 0.212 270 L C 1.574 178.444 176.870 0.000 0.000 1.105 270 L CA 1.286 56.126 54.840 -0.001 0.000 0.775 270 L CB -0.362 41.694 42.059 -0.004 0.000 0.913 270 L HN 0.484 nan 8.230 nan 0.000 0.440 271 N N -1.412 117.287 118.700 -0.001 0.000 2.270 271 N HA 0.000 4.739 4.740 -0.001 0.000 0.198 271 N C 0.387 175.898 175.510 0.002 0.000 1.117 271 N CA -0.285 52.766 53.050 0.001 0.000 0.845 271 N CB 0.477 38.965 38.487 0.000 0.000 0.980 271 N HN 0.021 nan 8.380 nan 0.000 0.486 272 S N 1.889 117.590 115.700 0.001 0.000 2.552 272 S HA 0.052 4.521 4.470 -0.001 0.000 0.289 272 S C -1.176 173.423 174.600 -0.000 0.000 1.304 272 S CA -1.321 56.878 58.200 -0.000 0.000 1.063 272 S CB 0.678 63.877 63.200 -0.002 0.000 0.848 272 S HN 0.176 nan 8.310 nan 0.000 0.499 273 P HA -0.067 nan 4.420 nan 0.000 0.223 273 P C 1.347 178.642 177.300 -0.007 0.000 1.151 273 P CA 0.414 63.515 63.100 0.002 0.000 0.787 273 P CB 0.085 31.791 31.700 0.009 0.000 0.788 274 L N -0.641 120.574 121.223 -0.013 0.000 2.131 274 L HA -0.040 4.299 4.340 -0.001 0.000 0.210 274 L C 1.932 178.793 176.870 -0.015 0.000 1.092 274 L CA 1.256 56.083 54.840 -0.022 0.000 0.759 274 L CB -1.353 40.692 42.059 -0.023 0.000 0.903 274 L HN 0.018 nan 8.230 nan 0.000 0.435 275 L N 0.542 121.762 121.223 -0.007 0.000 2.727 275 L HA 0.061 4.400 4.340 -0.001 0.000 0.237 275 L C 0.093 176.962 176.870 -0.001 0.000 1.370 275 L CA -0.146 54.693 54.840 -0.001 0.000 1.248 275 L CB -0.384 41.677 42.059 0.003 0.000 1.556 275 L HN 0.086 nan 8.230 nan 0.000 0.420 276 D N 1.382 121.779 120.400 -0.006 0.000 2.767 276 D HA 0.145 4.785 4.640 -0.001 0.000 0.231 276 D C -0.582 175.719 176.300 0.001 0.000 1.105 276 D CA 0.422 54.420 54.000 -0.003 0.000 1.024 276 D CB 0.051 40.845 40.800 -0.009 0.000 1.123 276 D HN 0.103 nan 8.370 nan 0.000 0.470 277 V N 1.048 120.966 119.914 0.007 0.000 3.264 277 V HA 0.192 4.312 4.120 -0.001 0.000 0.294 277 V C -1.521 174.582 176.094 0.013 0.000 1.429 277 V CA -1.060 61.248 62.300 0.013 0.000 1.053 277 V CB 2.354 34.188 31.823 0.018 0.000 1.128 277 V HN 0.033 nan 8.190 nan 0.000 0.452 278 D N 3.210 123.619 120.400 0.016 0.000 2.338 278 D HA 0.245 4.884 4.640 -0.001 0.000 0.255 278 D C 1.065 177.374 176.300 0.014 0.000 1.237 278 D CA 0.097 54.105 54.000 0.013 0.000 0.883 278 D CB 0.969 41.777 40.800 0.014 0.000 1.087 278 D HN 0.632 nan 8.370 nan 0.000 0.485 279 I N 0.983 121.560 120.570 0.012 0.000 3.793 279 I HA 0.077 4.247 4.170 -0.001 0.000 0.315 279 I C 1.228 177.351 176.117 0.010 0.000 1.275 279 I CA -0.143 61.164 61.300 0.012 0.000 1.214 279 I CB 0.135 38.141 38.000 0.011 0.000 1.018 279 I HN 0.087 nan 8.210 nan 0.000 0.439 280 D N 2.263 122.668 120.400 0.008 0.000 2.263 280 D HA -0.145 4.494 4.640 -0.001 0.000 0.208 280 D C 1.746 178.051 176.300 0.007 0.000 0.971 280 D CA 1.282 55.286 54.000 0.006 0.000 0.867 280 D CB -0.442 40.361 40.800 0.005 0.000 0.929 280 D HN 0.420 nan 8.370 nan 0.000 0.492 281 G N -0.496 108.310 108.800 0.008 0.000 3.434 281 G HA2 0.451 4.410 3.960 -0.001 0.000 0.258 281 G HA3 0.451 4.410 3.960 -0.001 0.000 0.258 281 G C 0.343 175.248 174.900 0.009 0.000 1.128 281 G CA 0.109 45.213 45.100 0.008 0.000 0.792 281 G HN 0.510 nan 8.290 nan 0.000 0.539 282 A N 0.247 123.074 122.820 0.010 0.000 2.327 282 A HA 0.728 5.047 4.320 -0.001 0.000 0.283 282 A C 0.442 178.033 177.584 0.011 0.000 1.127 282 A CA -0.056 51.988 52.037 0.012 0.000 0.810 282 A CB 0.765 19.774 19.000 0.015 0.000 1.066 282 A HN 0.156 nan 8.150 nan 0.000 0.492 283 T N 0.595 115.154 114.554 0.010 0.000 2.937 283 T HA 0.683 5.032 4.350 -0.001 0.000 0.283 283 T C 0.671 175.378 174.700 0.012 0.000 1.012 283 T CA 0.565 62.670 62.100 0.009 0.000 0.997 283 T CB 1.133 70.003 68.868 0.004 0.000 1.136 283 T HN 2.097 nan 8.240 nan 0.000 0.551 284 G N 0.029 108.837 108.800 0.013 0.000 3.488 284 G HA2 0.333 4.292 3.960 -0.001 0.000 0.612 284 G HA3 0.333 4.292 3.960 -0.001 0.000 0.612 284 G C -0.299 174.616 174.900 0.024 0.000 1.622 284 G CA -0.338 44.771 45.100 0.016 0.000 1.268 284 G HN 1.444 nan 8.290 nan 0.000 0.593 285 A N 0.693 123.534 122.820 0.035 0.000 2.586 285 A HA 0.712 5.031 4.320 -0.001 0.000 0.296 285 A C -1.049 176.575 177.584 0.066 0.000 1.040 285 A CA -0.465 51.600 52.037 0.046 0.000 0.701 285 A CB 0.993 20.020 19.000 0.046 0.000 1.277 285 A HN 1.718 nan 8.150 nan 0.000 0.413 286 L N 1.516 122.784 121.223 0.075 0.000 2.365 286 L HA 0.769 5.108 4.340 -0.001 0.000 0.273 286 L C -0.555 176.391 176.870 0.126 0.000 1.000 286 L CA -0.136 54.763 54.840 0.098 0.000 0.819 286 L CB 1.785 43.892 42.059 0.081 0.000 1.284 286 L HN 0.606 nan 8.230 nan 0.000 0.418 287 I N 1.769 122.447 120.570 0.179 0.000 2.466 287 I HA 0.365 4.534 4.170 -0.001 0.000 0.289 287 I C -0.858 175.429 176.117 0.282 0.000 1.026 287 I CA -0.525 60.893 61.300 0.196 0.000 1.078 287 I CB 1.894 39.991 38.000 0.161 0.000 1.249 287 I HN 0.648 nan 8.210 nan 0.000 0.429 288 H N 5.811 124.953 119.070 0.119 0.000 2.800 288 H HA 0.524 5.079 4.556 -0.001 0.000 0.322 288 H C -1.657 173.725 175.328 0.091 0.000 0.979 288 H CA -0.704 55.414 56.048 0.117 0.000 1.277 288 H CB 2.245 32.057 29.762 0.083 0.000 1.484 288 H HN 0.418 nan 8.280 nan 0.000 0.512 289 V N 7.516 127.574 119.914 0.240 0.000 2.394 289 V HA 0.406 4.525 4.120 -0.001 0.000 0.282 289 V C -0.702 175.370 176.094 -0.037 0.000 1.031 289 V CA -0.246 62.087 62.300 0.056 0.000 0.881 289 V CB 1.072 32.945 31.823 0.084 0.000 0.982 289 V HN 0.805 nan 8.190 nan 0.000 0.451 290 M N 6.036 125.549 119.600 -0.146 0.000 2.602 290 M HA 0.899 5.378 4.480 -0.001 0.000 0.312 290 M C 0.170 176.434 176.300 -0.061 0.000 1.181 290 M CA -0.201 55.011 55.300 -0.146 0.000 0.910 290 M CB 2.346 34.789 32.600 -0.262 0.000 1.723 290 M HN 0.828 nan 8.290 nan 0.000 0.459 291 G N 0.902 109.684 108.800 -0.030 0.000 2.428 291 G HA2 0.614 4.573 3.960 -0.001 0.000 0.304 291 G HA3 0.614 4.573 3.960 -0.001 0.000 0.304 291 G C -3.456 171.442 174.900 -0.003 0.000 1.303 291 G CA -0.712 44.379 45.100 -0.015 0.000 0.825 291 G HN 0.391 nan 8.290 nan 0.000 0.484 292 P HA 0.309 nan 4.420 nan 0.000 0.293 292 P C 0.307 177.613 177.300 0.010 0.000 1.304 292 P CA -0.132 62.970 63.100 0.004 0.000 0.767 292 P CB 1.704 33.405 31.700 0.001 0.000 1.247 293 E N 0.254 120.460 120.200 0.010 0.000 2.187 293 E HA -0.221 4.129 4.350 -0.001 0.000 0.199 293 E C 1.082 177.691 176.600 0.015 0.000 1.004 293 E CA 1.794 58.202 56.400 0.013 0.000 0.813 293 E CB -0.665 29.041 29.700 0.010 0.000 0.736 293 E HN 0.429 nan 8.360 nan 0.000 0.468 294 D N -0.230 120.177 120.400 0.012 0.000 2.323 294 D HA -0.065 4.574 4.640 -0.001 0.000 0.239 294 D C 0.363 176.672 176.300 0.015 0.000 1.129 294 D CA -0.259 53.748 54.000 0.012 0.000 0.865 294 D CB -0.302 40.503 40.800 0.008 0.000 0.913 294 D HN 0.155 nan 8.370 nan 0.000 0.517 295 L N 1.103 122.338 121.223 0.021 0.000 2.439 295 L HA 0.302 4.641 4.340 -0.001 0.000 0.269 295 L C -0.112 176.780 176.870 0.035 0.000 1.179 295 L CA 0.460 55.316 54.840 0.027 0.000 0.828 295 L CB 1.441 43.521 42.059 0.036 0.000 1.106 295 L HN -0.062 nan 8.230 nan 0.000 0.467 296 T N 3.533 118.108 114.554 0.035 0.000 2.900 296 T HA 0.377 4.726 4.350 -0.001 0.000 0.295 296 T C 0.921 175.653 174.700 0.054 0.000 1.044 296 T CA -0.668 61.456 62.100 0.041 0.000 0.995 296 T CB 0.957 69.840 68.868 0.025 0.000 1.072 296 T HN 0.507 nan 8.240 nan 0.000 0.473 297 L N 2.973 124.243 121.223 0.079 0.000 2.349 297 L HA 0.025 4.364 4.340 -0.001 0.000 0.220 297 L C 2.473 179.364 176.870 0.035 0.000 1.130 297 L CA 1.378 56.285 54.840 0.112 0.000 0.791 297 L CB -0.467 41.684 42.059 0.152 0.000 0.918 297 L HN 0.666 nan 8.230 nan 0.000 0.444 298 E N -0.073 120.136 120.200 0.015 0.000 2.046 298 E HA -0.170 4.179 4.350 -0.001 0.000 0.190 298 E C 2.061 178.635 176.600 -0.044 0.000 0.982 298 E CA 1.048 57.440 56.400 -0.015 0.000 0.800 298 E CB -0.111 29.586 29.700 -0.004 0.000 0.756 298 E HN 0.601 nan 8.360 nan 0.000 0.449 299 E N 1.018 121.200 120.200 -0.031 0.000 2.106 299 E HA -0.090 4.259 4.350 -0.001 0.000 0.192 299 E C 2.071 178.623 176.600 -0.080 0.000 0.984 299 E CA 0.858 57.232 56.400 -0.043 0.000 0.806 299 E CB -0.098 29.590 29.700 -0.020 0.000 0.750 299 E HN 0.174 nan 8.360 nan 0.000 0.458 300 A N 1.546 124.315 122.820 -0.084 0.000 1.877 300 A HA -0.215 4.104 4.320 -0.001 0.000 0.216 300 A C 2.148 179.501 177.584 -0.384 0.000 1.186 300 A CA 1.618 53.554 52.037 -0.168 0.000 0.620 300 A CB -0.398 18.562 19.000 -0.068 0.000 0.822 300 A HN 0.008 nan 8.150 nan 0.000 0.443 301 R N -0.329 119.949 120.500 -0.369 0.000 2.096 301 R HA -0.105 4.234 4.340 -0.001 0.000 0.235 301 R C 2.190 178.335 176.300 -0.258 0.000 1.127 301 R CA 1.666 57.532 56.100 -0.390 0.000 0.968 301 R CB -0.327 29.843 30.300 -0.218 0.000 0.861 301 R HN 0.745 nan 8.270 nan 0.000 0.440 302 E N -0.518 119.580 120.200 -0.169 0.000 2.077 302 E HA -0.162 4.187 4.350 -0.001 0.000 0.193 302 E C 1.758 178.281 176.600 -0.128 0.000 0.989 302 E CA 1.471 57.801 56.400 -0.118 0.000 0.800 302 E CB 0.140 29.793 29.700 -0.079 0.000 0.746 302 E HN 0.138 nan 8.360 nan 0.000 0.452 303 V N 0.692 120.519 119.914 -0.145 0.000 2.233 303 V HA -0.287 3.832 4.120 -0.001 0.000 0.247 303 V C 2.501 178.502 176.094 -0.156 0.000 1.050 303 V CA 1.689 63.913 62.300 -0.127 0.000 1.010 303 V CB -0.580 31.174 31.823 -0.115 0.000 0.637 303 V HN 0.175 nan 8.190 nan 0.000 0.444 304 V N 0.434 120.186 119.914 -0.269 0.000 2.282 304 V HA -0.312 3.807 4.120 -0.001 0.000 0.249 304 V C 2.694 178.682 176.094 -0.177 0.000 1.057 304 V CA 2.271 64.397 62.300 -0.290 0.000 1.032 304 V CB -1.330 30.140 31.823 -0.588 0.000 0.645 304 V HN 0.580 nan 8.190 nan 0.000 0.447 305 A N -0.318 122.403 122.820 -0.165 0.000 1.969 305 A HA -0.187 4.132 4.320 -0.001 0.000 0.218 305 A C 2.372 179.915 177.584 -0.070 0.000 1.169 305 A CA 2.266 54.242 52.037 -0.101 0.000 0.635 305 A CB -0.878 18.068 19.000 -0.091 0.000 0.810 305 A HN 0.527 nan 8.150 nan 0.000 0.445 306 T N -0.528 113.983 114.554 -0.071 0.000 2.821 306 T HA -0.083 4.267 4.350 -0.001 0.000 0.267 306 T C 1.824 176.500 174.700 -0.039 0.000 1.046 306 T CA 1.558 63.629 62.100 -0.049 0.000 1.139 306 T CB -0.257 68.583 68.868 -0.047 0.000 0.871 306 T HN 0.167 nan 8.240 nan 0.000 0.454 307 V N 0.881 120.768 119.914 -0.045 0.000 2.407 307 V HA -0.075 4.045 4.120 -0.001 0.000 0.245 307 V C 2.677 178.758 176.094 -0.022 0.000 1.041 307 V CA 1.445 63.728 62.300 -0.028 0.000 1.040 307 V CB -0.682 31.125 31.823 -0.025 0.000 0.671 307 V HN 0.426 nan 8.190 nan 0.000 0.455 308 S N 0.834 116.514 115.700 -0.033 0.000 2.420 308 S HA -0.205 4.264 4.470 -0.001 0.000 0.237 308 S C 2.159 176.751 174.600 -0.014 0.000 1.023 308 S CA 1.968 60.155 58.200 -0.021 0.000 0.991 308 S CB -0.309 62.872 63.200 -0.032 0.000 0.792 308 S HN 0.829 nan 8.310 nan 0.000 0.488 309 S N 0.282 115.971 115.700 -0.018 0.000 2.496 309 S HA 0.167 4.636 4.470 -0.001 0.000 0.224 309 S C 1.645 176.240 174.600 -0.008 0.000 0.996 309 S CA -0.131 58.062 58.200 -0.013 0.000 0.927 309 S CB -0.129 63.062 63.200 -0.016 0.000 0.774 309 S HN 0.370 nan 8.310 nan 0.000 0.524 310 R N 0.765 121.260 120.500 -0.007 0.000 2.246 310 R HA 0.427 4.767 4.340 -0.001 0.000 0.199 310 R C 0.876 177.177 176.300 0.001 0.000 0.984 310 R CA 0.041 56.139 56.100 -0.003 0.000 1.015 310 R CB -0.716 29.582 30.300 -0.003 0.000 0.930 310 R HN 0.443 nan 8.270 nan 0.000 0.475 311 L N 0.328 121.552 121.223 0.002 0.000 2.642 311 L HA 0.190 4.529 4.340 -0.001 0.000 0.229 311 L C 0.930 177.803 176.870 0.005 0.000 1.179 311 L CA -0.689 54.154 54.840 0.006 0.000 0.834 311 L CB 0.099 42.163 42.059 0.009 0.000 1.515 311 L HN -0.003 nan 8.230 nan 0.000 0.512 312 D N 0.930 121.334 120.400 0.007 0.000 2.399 312 D HA 0.023 4.662 4.640 -0.001 0.000 0.241 312 D C -1.640 174.664 176.300 0.006 0.000 1.133 312 D CA -1.250 52.753 54.000 0.006 0.000 0.890 312 D CB 1.630 42.434 40.800 0.006 0.000 1.201 312 D HN 0.263 nan 8.370 nan 0.000 0.432 313 P HA -0.107 nan 4.420 nan 0.000 0.223 313 P C 0.140 177.444 177.300 0.007 0.000 1.144 313 P CA 0.991 64.094 63.100 0.005 0.000 0.783 313 P CB 0.341 32.043 31.700 0.003 0.000 0.771 314 N N -0.899 117.805 118.700 0.007 0.000 2.204 314 N HA 0.248 4.987 4.740 -0.001 0.000 0.219 314 N C 0.182 175.699 175.510 0.011 0.000 1.151 314 N CA -0.201 52.854 53.050 0.009 0.000 0.867 314 N CB 0.097 38.587 38.487 0.006 0.000 1.043 314 N HN 0.069 nan 8.380 nan 0.000 0.516 315 A N 0.103 122.930 122.820 0.012 0.000 2.483 315 A HA 0.288 4.608 4.320 -0.001 0.000 0.238 315 A C 0.319 177.917 177.584 0.022 0.000 1.070 315 A CA 0.317 52.364 52.037 0.015 0.000 0.770 315 A CB 0.068 19.078 19.000 0.016 0.000 1.008 315 A HN 0.188 nan 8.150 nan 0.000 0.497 316 T N 2.299 116.867 114.554 0.022 0.000 2.767 316 T HA 0.531 4.880 4.350 -0.001 0.000 0.288 316 T C -0.381 174.347 174.700 0.046 0.000 0.963 316 T CA 0.163 62.281 62.100 0.029 0.000 1.019 316 T CB 0.343 69.220 68.868 0.014 0.000 0.923 316 T HN 0.370 nan 8.240 nan 0.000 0.468 317 I N 4.070 124.687 120.570 0.078 0.000 2.433 317 I HA 0.432 4.601 4.170 -0.001 0.000 0.292 317 I C -0.576 175.640 176.117 0.164 0.000 1.001 317 I CA -0.710 60.661 61.300 0.119 0.000 1.119 317 I CB 1.577 39.661 38.000 0.140 0.000 1.289 317 I HN 0.418 nan 8.210 nan 0.000 0.438 318 I N 6.274 126.931 120.570 0.145 0.000 2.433 318 I HA 0.460 4.629 4.170 -0.001 0.000 0.292 318 I C -0.788 175.450 176.117 0.202 0.000 1.001 318 I CA -0.655 60.702 61.300 0.095 0.000 1.119 318 I CB 1.280 39.288 38.000 0.012 0.000 1.289 318 I HN 0.710 nan 8.210 nan 0.000 0.438 319 W N 5.006 126.307 121.300 0.003 0.000 3.075 319 W HA 0.838 5.497 4.660 -0.001 0.000 0.334 319 W C -0.998 175.526 176.519 0.009 0.000 1.243 319 W CA -1.243 56.111 57.345 0.015 0.000 1.170 319 W CB 1.463 30.940 29.460 0.027 0.000 1.452 319 W HN 0.659 nan 8.180 nan 0.000 0.572 320 G N -0.205 108.771 108.800 0.294 0.000 2.687 320 G HA2 0.807 4.766 3.960 -0.001 0.000 0.291 320 G HA3 0.807 4.766 3.960 -0.001 0.000 0.291 320 G C -2.236 172.906 174.900 0.403 0.000 1.420 320 G CA -0.359 44.802 45.100 0.102 0.000 0.796 320 G HN 1.160 nan 8.290 nan 0.000 0.485 321 A N 0.014 123.009 122.820 0.292 0.000 2.456 321 A HA 0.854 5.174 4.320 -0.001 0.000 0.288 321 A C -0.266 177.449 177.584 0.219 0.000 1.042 321 A CA 0.096 52.318 52.037 0.309 0.000 0.738 321 A CB 1.308 20.491 19.000 0.305 0.000 1.266 321 A HN 1.795 nan 8.150 nan 0.000 0.407 322 T N -0.630 114.062 114.554 0.230 0.000 2.907 322 T HA 0.752 5.101 4.350 -0.001 0.000 0.292 322 T C -0.641 174.110 174.700 0.085 0.000 1.043 322 T CA -0.579 61.621 62.100 0.166 0.000 1.003 322 T CB 1.159 70.180 68.868 0.255 0.000 1.084 322 T HN 0.339 nan 8.240 nan 0.000 0.483 323 I N 2.240 122.847 120.570 0.061 0.000 2.336 323 I HA 0.474 4.644 4.170 -0.001 0.000 0.292 323 I C -0.398 175.733 176.117 0.024 0.000 0.991 323 I CA -0.154 61.167 61.300 0.034 0.000 1.227 323 I CB 1.405 39.423 38.000 0.030 0.000 1.366 323 I HN 0.766 nan 8.210 nan 0.000 0.466 324 D N 4.642 125.047 120.400 0.009 0.000 2.471 324 D HA 0.160 4.799 4.640 -0.001 0.000 0.245 324 D C 0.881 177.182 176.300 0.001 0.000 1.116 324 D CA -0.410 53.592 54.000 0.003 0.000 0.853 324 D CB 1.121 41.915 40.800 -0.009 0.000 1.123 324 D HN 0.627 nan 8.370 nan 0.000 0.540 325 E N 3.345 123.547 120.200 0.003 0.000 2.065 325 E HA -0.322 4.027 4.350 -0.001 0.000 0.201 325 E C 0.648 177.247 176.600 -0.001 0.000 1.016 325 E CA 1.659 58.060 56.400 0.002 0.000 0.818 325 E CB -0.057 29.645 29.700 0.003 0.000 0.749 325 E HN 0.637 nan 8.360 nan 0.000 0.453 326 N N -0.074 118.625 118.700 -0.002 0.000 2.513 326 N HA -0.152 4.588 4.740 -0.001 0.000 0.187 326 N C 1.466 176.973 175.510 -0.006 0.000 1.056 326 N CA 0.186 53.233 53.050 -0.004 0.000 0.907 326 N CB -0.044 38.441 38.487 -0.004 0.000 0.954 326 N HN 0.150 nan 8.380 nan 0.000 0.445 327 L N 1.120 122.339 121.223 -0.008 0.000 2.376 327 L HA -0.044 4.295 4.340 -0.001 0.000 0.219 327 L C 1.189 178.055 176.870 -0.008 0.000 1.133 327 L CA 1.188 56.021 54.840 -0.011 0.000 0.816 327 L CB -0.614 41.436 42.059 -0.016 0.000 0.933 327 L HN 0.131 nan 8.230 nan 0.000 0.449 328 E N -0.898 119.299 120.200 -0.005 0.000 4.100 328 E HA -0.418 3.931 4.350 -0.001 0.000 0.204 328 E C 0.796 177.394 176.600 -0.003 0.000 1.271 328 E CA 2.069 58.467 56.400 -0.003 0.000 2.192 328 E CB -0.931 28.767 29.700 -0.003 0.000 1.879 328 E HN 0.426 nan 8.360 nan 0.000 0.291 329 N N 0.316 119.014 118.700 -0.004 0.000 2.588 329 N HA 0.207 4.946 4.740 -0.001 0.000 0.298 329 N C -1.932 173.574 175.510 -0.006 0.000 1.718 329 N CA 0.373 53.420 53.050 -0.004 0.000 0.888 329 N CB 1.192 39.677 38.487 -0.003 0.000 1.389 329 N HN 0.129 nan 8.380 nan 0.000 0.491 330 T N -0.576 113.973 114.554 -0.009 0.000 2.903 330 T HA 0.495 4.844 4.350 -0.001 0.000 0.299 330 T C -0.914 173.776 174.700 -0.016 0.000 1.093 330 T CA -0.680 61.413 62.100 -0.012 0.000 1.002 330 T CB 1.899 70.759 68.868 -0.014 0.000 1.127 330 T HN 0.035 nan 8.240 nan 0.000 0.488 331 V N 0.668 120.571 119.914 -0.018 0.000 2.448 331 V HA 0.758 4.877 4.120 -0.001 0.000 0.295 331 V C -0.230 175.845 176.094 -0.032 0.000 1.025 331 V CA -1.009 61.277 62.300 -0.024 0.000 0.859 331 V CB 1.372 33.185 31.823 -0.017 0.000 0.988 331 V HN 0.848 nan 8.190 nan 0.000 0.431 332 R N 3.283 123.754 120.500 -0.049 0.000 2.532 332 R HA 0.827 5.167 4.340 -0.001 0.000 0.295 332 R C -1.640 174.622 176.300 -0.064 0.000 0.968 332 R CA -0.563 55.504 56.100 -0.055 0.000 0.916 332 R CB 2.133 32.393 30.300 -0.067 0.000 1.124 332 R HN 0.720 nan 8.270 nan 0.000 0.463 333 V N 5.563 125.453 119.914 -0.040 0.000 2.487 333 V HA 0.355 4.474 4.120 -0.001 0.000 0.298 333 V C -0.918 175.173 176.094 -0.004 0.000 1.028 333 V CA -0.895 61.392 62.300 -0.021 0.000 0.860 333 V CB 1.591 33.408 31.823 -0.009 0.000 0.991 333 V HN 0.591 nan 8.190 nan 0.000 0.427 334 L N 6.521 127.758 121.223 0.024 0.000 2.305 334 L HA 0.715 5.054 4.340 -0.001 0.000 0.284 334 L C -1.180 175.738 176.870 0.079 0.000 1.013 334 L CA -0.149 54.722 54.840 0.053 0.000 0.819 334 L CB 1.317 43.425 42.059 0.083 0.000 1.227 334 L HN 0.495 nan 8.230 nan 0.000 0.417 335 L N 6.005 127.262 121.223 0.057 0.000 2.333 335 L HA 0.636 4.975 4.340 -0.001 0.000 0.280 335 L C -0.778 176.126 176.870 0.056 0.000 1.004 335 L CA -0.306 54.569 54.840 0.057 0.000 0.820 335 L CB 2.094 44.174 42.059 0.036 0.000 1.247 335 L HN 0.367 nan 8.230 nan 0.000 0.416 336 V N 5.430 125.382 119.914 0.064 0.000 2.376 336 V HA 0.479 4.598 4.120 -0.001 0.000 0.287 336 V C -0.061 176.061 176.094 0.047 0.000 1.015 336 V CA -0.473 61.861 62.300 0.057 0.000 0.834 336 V CB 1.652 33.518 31.823 0.072 0.000 1.001 336 V HN 0.496 nan 8.190 nan 0.000 0.428 337 I N 5.041 125.633 120.570 0.036 0.000 2.330 337 I HA 0.395 4.564 4.170 -0.001 0.000 0.289 337 I C 0.865 176.998 176.117 0.027 0.000 1.001 337 I CA -0.108 61.210 61.300 0.030 0.000 1.193 337 I CB 2.098 40.113 38.000 0.025 0.000 1.345 337 I HN 0.746 nan 8.210 nan 0.000 0.461 338 T N 1.443 116.011 114.554 0.024 0.000 2.849 338 T HA 0.502 4.851 4.350 -0.001 0.000 0.276 338 T C 1.101 175.812 174.700 0.018 0.000 0.971 338 T CA 0.106 62.218 62.100 0.019 0.000 0.949 338 T CB 1.552 70.426 68.868 0.011 0.000 1.093 338 T HN 0.957 nan 8.240 nan 0.000 0.545 339 G N -0.329 108.481 108.800 0.016 0.000 2.225 339 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.267 339 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.267 339 G C 0.592 175.505 174.900 0.022 0.000 1.024 339 G CA 0.685 45.794 45.100 0.015 0.000 0.784 339 G HN 1.907 nan 8.290 nan 0.000 0.507 340 V N -1.613 118.321 119.914 0.034 0.000 3.596 340 V HA 0.172 4.291 4.120 -0.001 0.000 0.289 340 V C 2.302 178.434 176.094 0.064 0.000 1.336 340 V CA 1.296 63.621 62.300 0.042 0.000 1.137 340 V CB 0.478 32.325 31.823 0.040 0.000 0.966 340 V HN 0.611 nan 8.190 nan 0.000 0.428 341 Q N 2.967 122.809 119.800 0.070 0.000 2.152 341 Q HA -0.252 4.087 4.340 -0.001 0.000 0.206 341 Q C 2.099 178.137 176.000 0.063 0.000 0.985 341 Q CA 2.692 58.555 55.803 0.099 0.000 0.863 341 Q CB -1.350 27.416 28.738 0.047 0.000 0.904 341 Q HN 0.841 nan 8.270 nan 0.000 0.422 342 S N 0.290 116.006 115.700 0.027 0.000 2.442 342 S HA -0.037 4.433 4.470 -0.001 0.000 0.236 342 S C 1.732 176.351 174.600 0.032 0.000 1.007 342 S CA 0.900 59.108 58.200 0.013 0.000 0.965 342 S CB -0.084 63.117 63.200 0.002 0.000 0.773 342 S HN 0.239 nan 8.310 nan 0.000 0.504 343 R N 0.298 120.825 120.500 0.047 0.000 2.310 343 R HA 0.428 4.768 4.340 -0.001 0.000 0.202 343 R C -0.180 176.162 176.300 0.069 0.000 0.933 343 R CA 0.121 56.249 56.100 0.047 0.000 1.054 343 R CB -0.032 30.290 30.300 0.037 0.000 0.985 343 R HN 0.392 nan 8.270 nan 0.000 0.489 344 I N -0.343 120.296 120.570 0.115 0.000 2.693 344 I HA 0.309 4.478 4.170 -0.001 0.000 0.303 344 I C -0.406 175.853 176.117 0.236 0.000 1.025 344 I CA -1.010 60.389 61.300 0.165 0.000 1.086 344 I CB 2.027 40.157 38.000 0.217 0.000 1.268 344 I HN -0.012 nan 8.210 nan 0.000 0.440 345 E N 3.850 124.183 120.200 0.221 0.000 2.165 345 E HA 0.398 4.747 4.350 -0.001 0.000 0.266 345 E C -1.585 175.224 176.600 0.348 0.000 0.889 345 E CA -0.532 56.013 56.400 0.243 0.000 0.756 345 E CB 1.143 30.915 29.700 0.120 0.000 1.131 345 E HN 0.190 nan 8.360 nan 0.000 0.411 346 F N 3.414 123.366 119.950 0.004 0.000 2.368 346 F HA 0.202 4.728 4.527 -0.002 0.000 0.362 346 F C 0.901 176.705 175.800 0.007 0.000 1.137 346 F CA -0.559 57.444 58.000 0.005 0.000 1.161 346 F CB 0.741 39.743 39.000 0.004 0.000 1.265 346 F HN 0.260 nan 8.300 nan 0.000 0.530 347 T N -1.896 112.744 114.554 0.144 0.000 2.948 347 T HA 0.299 4.648 4.350 -0.001 0.000 0.285 347 T C 0.876 175.617 174.700 0.068 0.000 1.019 347 T CA -0.784 61.371 62.100 0.092 0.000 1.013 347 T CB 1.555 70.458 68.868 0.058 0.000 1.117 347 T HN 0.287 nan 8.240 nan 0.000 0.533 348 D N 0.746 121.179 120.400 0.054 0.000 2.263 348 D HA -0.024 4.615 4.640 -0.001 0.000 0.208 348 D C 1.967 178.286 176.300 0.031 0.000 0.971 348 D CA 1.770 55.796 54.000 0.043 0.000 0.867 348 D CB -0.238 40.584 40.800 0.038 0.000 0.929 348 D HN 0.845 nan 8.370 nan 0.000 0.492 349 T N -2.978 111.592 114.554 0.027 0.000 3.105 349 T HA 0.509 4.859 4.350 -0.001 0.000 0.253 349 T C 0.873 175.578 174.700 0.008 0.000 1.047 349 T CA 0.158 62.271 62.100 0.020 0.000 0.944 349 T CB 0.823 69.705 68.868 0.023 0.000 1.016 349 T HN 0.196 nan 8.240 nan 0.000 0.544 350 G N 0.961 109.757 108.800 -0.008 0.000 2.334 350 G HA2 0.184 4.143 3.960 -0.001 0.000 0.315 350 G HA3 0.184 4.143 3.960 -0.001 0.000 0.315 350 G C -1.641 173.216 174.900 -0.072 0.000 1.284 350 G CA -1.108 43.966 45.100 -0.044 0.000 0.985 350 G HN 0.397 nan 8.290 nan 0.000 0.504 351 L N 0.488 121.644 121.223 -0.111 0.000 2.305 351 L HA 0.599 4.938 4.340 -0.001 0.000 0.281 351 L C 0.358 177.200 176.870 -0.046 0.000 1.085 351 L CA -0.348 54.414 54.840 -0.130 0.000 0.813 351 L CB 1.265 43.213 42.059 -0.186 0.000 1.157 351 L HN 0.451 nan 8.230 nan 0.000 0.436 352 K N 3.623 124.019 120.400 -0.005 0.000 2.471 352 K HA 0.433 4.752 4.320 -0.001 0.000 0.252 352 K C -0.891 175.727 176.600 0.031 0.000 0.938 352 K CA -0.933 55.364 56.287 0.016 0.000 0.796 352 K CB 2.376 34.892 32.500 0.027 0.000 1.161 352 K HN 0.443 nan 8.250 nan 0.000 0.425 353 R N 2.104 122.618 120.500 0.024 0.000 2.504 353 R HA -0.069 4.270 4.340 -0.001 0.000 0.291 353 R C 0.177 176.498 176.300 0.037 0.000 0.974 353 R CA 0.331 56.448 56.100 0.029 0.000 1.077 353 R CB 0.137 30.450 30.300 0.021 0.000 0.926 353 R HN 0.402 nan 8.270 nan 0.000 0.407 354 K N 2.370 122.797 120.400 0.045 0.000 2.414 354 K HA -0.059 4.260 4.320 -0.001 0.000 0.272 354 K C -0.270 176.347 176.600 0.029 0.000 0.993 354 K CA 0.331 56.644 56.287 0.042 0.000 0.964 354 K CB 0.572 33.099 32.500 0.045 0.000 0.925 354 K HN 0.362 nan 8.250 nan 0.000 0.487 355 K N 5.363 125.778 120.400 0.025 0.000 2.478 355 K HA 0.174 4.493 4.320 -0.001 0.000 0.236 355 K C -1.003 175.606 176.600 0.015 0.000 1.021 355 K CA -0.752 55.546 56.287 0.018 0.000 1.010 355 K CB 0.355 32.866 32.500 0.018 0.000 1.331 355 K HN 0.413 nan 8.250 nan 0.000 0.470 356 L N 3.674 124.905 121.223 0.013 0.000 2.543 356 L HA -0.054 4.286 4.340 -0.001 0.000 0.285 356 L C 0.970 177.844 176.870 0.007 0.000 1.236 356 L CA 0.659 55.504 54.840 0.009 0.000 0.871 356 L CB 0.229 42.292 42.059 0.008 0.000 1.121 356 L HN 0.639 nan 8.230 nan 0.000 0.501 360 T N -0.978 113.577 114.554 0.001 0.000 2.759 360 T HA 0.335 4.684 4.350 -0.001 0.000 0.269 360 T C 0.567 175.267 174.700 0.001 0.000 1.042 360 T CA 1.781 63.881 62.100 0.001 0.000 1.140 360 T CB -0.160 68.709 68.868 0.001 0.000 0.864 360 T HN 1.161 nan 8.240 nan 0.000 0.455 361 G N 0.000 108.801 108.800 0.001 0.000 5.446 361 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 361 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 361 G CA 0.000 nan 45.100 nan 0.000 0.502 361 G HN 0.000 nan 8.290 nan 0.000 0.925