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 2b1e_1_A DATA FIRST_RESID 67 DATA SEQUENCE TLNSVASVKD LANEASKYEI ILQKGINQVG LKQYTQVVHK LDDMLEDIQS DATA SEQUENCE XXXXREENSE FHGILTHLEQ LIKRSEAQLR VYFISILNSI KPFDPQINIT DATA SEQUENCE KKMPFPYYED QQLGALSWIL DYFHGNSEGS IIQDILVGER SKLILKCMAF DATA SEQUENCE LEPFAXXXXX XXXXXXXKGS SGMNSYTEAL LGFIANEKSL VDDLYSQYTE DATA SEQUENCE SKPHVLSQIL SPLISAYAKL FGANLKIVRX XXXXFGFFSF ELVESINDVK DATA SEQUENCE KSLRGKELQN YNLLQDCTQE VRQVTQSLFR DAIDRIIKKA NSISTIPSNN DATA SEQUENCE GVTEATVDTM SRLRKFSEYK NGCLGAMDNI TRENWLPSNY KEKEYTLQXX DATA SEQUENCE XXNWEDHNVL LSCFISDCID TLAVNLERKA QIALMPNQEP DVANPNSSKN DATA SEQUENCE KHKQRIGFFI LMNLTLVEQI VEKSELNLML AGEGHSRLER LKKRYISYMV DATA SEQUENCE SDWRDLTANL MDSVFIDSSG KKSKDKEQIK EKFRKFNEGF EDLVSKTKQY DATA SEQUENCE KLSDPSLKVT LKSEIISLVM PMYERFYSRY KDSFKNPRKH IKYTPDELTT DATA SEQUENCE VLNQLVR 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 67 T HA 0.000 nan 4.350 nan 0.000 0.228 67 T C 0.000 174.724 174.700 0.040 0.000 1.109 67 T CA 0.000 62.126 62.100 0.044 0.000 1.349 67 T CB 0.000 68.885 68.868 0.029 0.000 0.612 68 L N 3.631 124.872 121.223 0.031 0.000 2.314 68 L HA 0.520 4.860 4.340 0.001 0.000 0.275 68 L C 0.809 177.696 176.870 0.030 0.000 1.068 68 L CA -0.865 53.991 54.840 0.026 0.000 0.894 68 L CB 0.699 42.769 42.059 0.018 0.000 1.275 68 L HN 0.341 nan 8.230 nan 0.000 0.432 69 N N 0.964 119.686 118.700 0.037 0.000 2.094 69 N HA -0.213 4.528 4.740 0.001 0.000 0.191 69 N C 2.020 177.551 175.510 0.036 0.000 1.023 69 N CA 1.751 54.827 53.050 0.043 0.000 0.857 69 N CB -0.107 38.409 38.487 0.049 0.000 1.013 69 N HN 0.655 nan 8.380 nan 0.000 0.426 70 S N 0.031 115.747 115.700 0.026 0.000 2.442 70 S HA -0.087 4.384 4.470 0.001 0.000 0.236 70 S C 1.612 176.218 174.600 0.009 0.000 1.007 70 S CA 1.266 59.476 58.200 0.017 0.000 0.965 70 S CB -0.401 62.806 63.200 0.012 0.000 0.773 70 S HN 0.232 nan 8.310 nan 0.000 0.504 71 V N -2.581 117.339 119.914 0.011 0.000 3.159 71 V HA 0.787 4.908 4.120 0.001 0.000 0.333 71 V C 0.392 176.491 176.094 0.008 0.000 1.424 71 V CA -0.547 61.755 62.300 0.004 0.000 1.125 71 V CB -0.617 31.207 31.823 0.003 0.000 1.075 71 V HN 0.570 nan 8.190 nan 0.000 0.482 72 A N 1.366 124.196 122.820 0.017 0.000 2.304 72 A HA 0.791 5.111 4.320 0.001 0.000 0.301 72 A C 0.663 178.260 177.584 0.022 0.000 1.132 72 A CA 0.333 52.383 52.037 0.021 0.000 0.819 72 A CB 0.754 19.773 19.000 0.031 0.000 1.094 72 A HN 0.936 nan 8.150 nan 0.000 0.492 73 S N 0.898 116.609 115.700 0.019 0.000 2.593 73 S HA 0.265 4.735 4.470 0.001 0.000 0.269 73 S C 1.052 175.677 174.600 0.041 0.000 1.334 73 S CA -0.185 58.027 58.200 0.020 0.000 1.015 73 S CB 0.981 64.189 63.200 0.013 0.000 0.912 73 S HN 0.692 nan 8.310 nan 0.000 0.541 74 V N 1.960 121.906 119.914 0.052 0.000 2.407 74 V HA -0.174 3.946 4.120 0.001 0.000 0.248 74 V C 2.686 178.820 176.094 0.067 0.000 1.055 74 V CA 2.284 64.637 62.300 0.088 0.000 1.049 74 V CB -1.053 30.840 31.823 0.116 0.000 0.662 74 V HN 1.036 nan 8.190 nan 0.000 0.455 75 K N 0.113 120.539 120.400 0.044 0.000 2.032 75 K HA -0.243 4.077 4.320 0.001 0.000 0.209 75 K C 1.838 178.455 176.600 0.028 0.000 1.048 75 K CA 2.149 58.455 56.287 0.031 0.000 0.927 75 K CB -0.241 32.270 32.500 0.018 0.000 0.712 75 K HN 0.415 nan 8.250 nan 0.000 0.441 76 D N 0.733 121.148 120.400 0.024 0.000 2.117 76 D HA -0.128 4.512 4.640 0.001 0.000 0.198 76 D C 1.996 178.310 176.300 0.023 0.000 0.982 76 D CA 0.971 54.981 54.000 0.016 0.000 0.828 76 D CB -0.117 40.691 40.800 0.014 0.000 0.967 76 D HN 0.237 nan 8.370 nan 0.000 0.464 77 L N 0.572 121.821 121.223 0.045 0.000 2.083 77 L HA -0.139 4.201 4.340 0.001 0.000 0.209 77 L C 2.498 179.407 176.870 0.065 0.000 1.083 77 L CA 1.056 55.933 54.840 0.062 0.000 0.752 77 L CB -0.422 41.688 42.059 0.085 0.000 0.899 77 L HN -0.017 nan 8.230 nan 0.000 0.433 78 A N 0.483 123.346 122.820 0.071 0.000 1.877 78 A HA -0.282 4.038 4.320 0.001 0.000 0.216 78 A C 2.049 179.670 177.584 0.061 0.000 1.186 78 A CA 2.254 54.345 52.037 0.090 0.000 0.620 78 A CB -0.796 18.252 19.000 0.080 0.000 0.822 78 A HN 0.488 nan 8.150 nan 0.000 0.443 79 N N -0.206 118.507 118.700 0.021 0.000 2.069 79 N HA -0.182 4.559 4.740 0.001 0.000 0.191 79 N C 1.671 177.141 175.510 -0.067 0.000 1.031 79 N CA 1.868 54.909 53.050 -0.014 0.000 0.852 79 N CB -0.195 38.278 38.487 -0.023 0.000 1.018 79 N HN 0.440 nan 8.380 nan 0.000 0.423 80 E N 0.225 120.374 120.200 -0.086 0.000 2.058 80 E HA -0.162 4.188 4.350 0.001 0.000 0.194 80 E C 1.972 178.399 176.600 -0.288 0.000 0.997 80 E CA 1.211 57.472 56.400 -0.233 0.000 0.801 80 E CB -0.675 28.959 29.700 -0.110 0.000 0.746 80 E HN 0.532 nan 8.360 nan 0.000 0.450 81 A N 1.095 123.908 122.820 -0.012 0.000 1.933 81 A HA -0.166 4.154 4.320 0.001 0.000 0.218 81 A C 2.515 180.139 177.584 0.067 0.000 1.175 81 A CA 1.837 53.931 52.037 0.093 0.000 0.628 81 A CB -0.531 18.501 19.000 0.054 0.000 0.814 81 A HN 0.175 nan 8.150 nan 0.000 0.444 82 S N -0.324 115.419 115.700 0.071 0.000 2.382 82 S HA -0.150 4.320 4.470 0.001 0.000 0.228 82 S C 1.942 176.542 174.600 -0.001 0.000 1.027 82 S CA 1.614 59.866 58.200 0.087 0.000 0.991 82 S CB -0.214 63.015 63.200 0.048 0.000 0.823 82 S HN 0.640 nan 8.310 nan 0.000 0.469 83 K N -0.087 120.241 120.400 -0.119 0.000 2.097 83 K HA -0.065 4.255 4.320 0.001 0.000 0.205 83 K C 1.792 178.319 176.600 -0.122 0.000 1.050 83 K CA 1.190 57.376 56.287 -0.168 0.000 0.938 83 K CB -0.276 32.049 32.500 -0.292 0.000 0.718 83 K HN 0.369 nan 8.250 nan 0.000 0.442 84 Y N 1.455 121.742 120.300 -0.022 0.000 2.293 84 Y HA -0.142 4.409 4.550 0.001 0.000 0.291 84 Y C 2.331 178.191 175.900 -0.066 0.000 1.137 84 Y CA 0.869 58.935 58.100 -0.056 0.000 1.202 84 Y CB -0.466 37.947 38.460 -0.077 0.000 0.990 84 Y HN 0.202 nan 8.280 nan 0.000 0.537 85 E N 0.396 120.660 120.200 0.108 0.000 2.106 85 E HA -0.164 4.186 4.350 0.001 0.000 0.192 85 E C 2.017 178.648 176.600 0.052 0.000 0.984 85 E CA 1.178 57.619 56.400 0.068 0.000 0.806 85 E CB -0.299 29.472 29.700 0.119 0.000 0.750 85 E HN 0.454 nan 8.360 nan 0.000 0.458 86 I N 0.784 121.380 120.570 0.044 0.000 2.226 86 I HA -0.285 3.886 4.170 0.001 0.000 0.245 86 I C 2.286 178.423 176.117 0.032 0.000 1.100 86 I CA 0.936 62.255 61.300 0.031 0.000 1.374 86 I CB -0.206 37.802 38.000 0.014 0.000 1.057 86 I HN 0.228 nan 8.210 nan 0.000 0.413 87 I N 0.496 121.087 120.570 0.036 0.000 2.142 87 I HA -0.312 3.858 4.170 0.001 0.000 0.240 87 I C 2.464 178.596 176.117 0.025 0.000 1.078 87 I CA 1.558 62.879 61.300 0.035 0.000 1.343 87 I CB -0.383 37.650 38.000 0.054 0.000 1.046 87 I HN 0.187 nan 8.210 nan 0.000 0.405 88 L N 0.217 121.425 121.223 -0.024 0.000 2.127 88 L HA -0.256 4.084 4.340 0.001 0.000 0.211 88 L C 2.615 179.540 176.870 0.092 0.000 1.089 88 L CA 1.171 55.970 54.840 -0.069 0.000 0.757 88 L CB -0.552 41.380 42.059 -0.211 0.000 0.899 88 L HN 0.317 nan 8.230 nan 0.000 0.434 89 Q N 0.781 120.620 119.800 0.065 0.000 2.234 89 Q HA -0.207 4.133 4.340 0.001 0.000 0.206 89 Q C 1.910 177.955 176.000 0.075 0.000 0.980 89 Q CA 1.510 57.356 55.803 0.072 0.000 0.869 89 Q CB 0.012 28.781 28.738 0.052 0.000 0.912 89 Q HN 0.371 nan 8.270 nan 0.000 0.436 90 K N -0.741 119.704 120.400 0.075 0.000 2.365 90 K HA 0.149 4.469 4.320 0.001 0.000 0.199 90 K C 0.467 177.106 176.600 0.065 0.000 1.045 90 K CA 0.494 56.818 56.287 0.061 0.000 0.962 90 K CB -0.004 32.527 32.500 0.051 0.000 0.759 90 K HN 0.329 nan 8.250 nan 0.000 0.469 91 G N 0.637 109.502 108.800 0.108 0.000 2.675 91 G HA2 -0.207 3.754 3.960 0.001 0.000 0.686 91 G HA3 -0.207 3.754 3.960 0.001 0.000 0.686 91 G C 0.357 175.224 174.900 -0.056 0.000 1.215 91 G CA -0.650 44.472 45.100 0.037 0.000 0.777 91 G HN 0.056 nan 8.290 nan 0.000 0.638 92 I N 0.649 120.996 120.570 -0.373 0.000 2.151 92 I HA -0.235 3.936 4.170 0.001 0.000 0.243 92 I C 2.581 178.505 176.117 -0.322 0.000 1.080 92 I CA 1.726 62.654 61.300 -0.619 0.000 1.339 92 I CB -0.271 37.044 38.000 -1.142 0.000 1.039 92 I HN 0.575 nan 8.210 nan 0.000 0.409 93 N N 0.358 118.947 118.700 -0.185 0.000 2.188 93 N HA -0.218 4.522 4.740 0.001 0.000 0.184 93 N C 1.833 177.320 175.510 -0.038 0.000 1.018 93 N CA 1.149 54.161 53.050 -0.063 0.000 0.858 93 N CB -0.290 38.214 38.487 0.028 0.000 0.989 93 N HN 0.500 nan 8.380 nan 0.000 0.426 94 Q N 0.592 120.379 119.800 -0.022 0.000 2.123 94 Q HA -0.017 4.323 4.340 0.001 0.000 0.199 94 Q C 1.788 177.790 176.000 0.003 0.000 0.966 94 Q CA 0.865 56.667 55.803 -0.001 0.000 0.845 94 Q CB 0.321 29.067 28.738 0.013 0.000 0.907 94 Q HN 0.086 nan 8.270 nan 0.000 0.439 95 V N -0.340 119.584 119.914 0.017 0.000 2.379 95 V HA 0.058 4.179 4.120 0.001 0.000 0.245 95 V C 0.900 176.995 176.094 0.000 0.000 1.044 95 V CA 1.160 63.483 62.300 0.039 0.000 1.036 95 V CB -0.292 31.613 31.823 0.136 0.000 0.664 95 V HN 0.588 nan 8.190 nan 0.000 0.453 96 G N -0.410 108.364 108.800 -0.044 0.000 3.233 96 G HA2 -0.081 3.879 3.960 0.001 0.000 0.686 96 G HA3 -0.081 3.879 3.960 0.001 0.000 0.686 96 G C -0.243 174.581 174.900 -0.126 0.000 1.153 96 G CA -0.156 44.890 45.100 -0.091 0.000 0.853 96 G HN 0.161 nan 8.290 nan 0.000 0.582 97 L N 2.061 123.151 121.223 -0.222 0.000 1.990 97 L HA -0.025 4.315 4.340 0.001 0.000 0.213 97 L C 2.741 179.463 176.870 -0.246 0.000 1.072 97 L CA 3.137 57.810 54.840 -0.277 0.000 0.755 97 L CB -0.480 41.391 42.059 -0.312 0.000 0.889 97 L HN 0.742 nan 8.230 nan 0.000 0.432 98 K N -1.136 118.984 120.400 -0.467 0.000 2.057 98 K HA -0.208 4.113 4.320 0.001 0.000 0.207 98 K C 2.073 178.647 176.600 -0.043 0.000 1.049 98 K CA 1.677 57.670 56.287 -0.491 0.000 0.931 98 K CB -0.216 31.810 32.500 -0.791 0.000 0.714 98 K HN 0.357 nan 8.250 nan 0.000 0.440 99 Q N -0.185 119.579 119.800 -0.060 0.000 2.124 99 Q HA -0.156 4.184 4.340 0.001 0.000 0.202 99 Q C 1.795 177.809 176.000 0.024 0.000 0.977 99 Q CA 1.419 57.223 55.803 0.002 0.000 0.850 99 Q CB -0.422 28.310 28.738 -0.009 0.000 0.901 99 Q HN 0.396 nan 8.270 nan 0.000 0.429 100 Y N 1.012 121.248 120.300 -0.107 0.000 2.114 100 Y HA -0.263 4.287 4.550 0.001 0.000 0.284 100 Y C 2.428 178.234 175.900 -0.157 0.000 1.143 100 Y CA 2.077 60.097 58.100 -0.134 0.000 1.135 100 Y CB -0.370 37.977 38.460 -0.188 0.000 0.980 100 Y HN 0.315 nan 8.280 nan 0.000 0.499 101 T N -1.997 112.615 114.554 0.097 0.000 2.881 101 T HA -0.219 4.131 4.350 0.001 0.000 0.270 101 T C 1.686 176.287 174.700 -0.166 0.000 1.068 101 T CA 1.404 63.439 62.100 -0.107 0.000 1.131 101 T CB -0.380 68.540 68.868 0.088 0.000 0.871 101 T HN 0.302 nan 8.240 nan 0.000 0.479 102 Q N 1.032 120.858 119.800 0.044 0.000 2.119 102 Q HA 0.038 4.378 4.340 0.001 0.000 0.201 102 Q C 2.229 178.190 176.000 -0.065 0.000 0.972 102 Q CA 1.289 57.155 55.803 0.106 0.000 0.847 102 Q CB -0.785 28.026 28.738 0.121 0.000 0.903 102 Q HN 0.491 nan 8.270 nan 0.000 0.433 103 V N -0.619 119.182 119.914 -0.189 0.000 2.358 103 V HA -0.194 3.927 4.120 0.001 0.000 0.246 103 V C 2.199 178.073 176.094 -0.368 0.000 1.047 103 V CA 1.457 63.552 62.300 -0.341 0.000 1.035 103 V CB -0.444 31.184 31.823 -0.326 0.000 0.658 103 V HN 0.213 nan 8.190 nan 0.000 0.452 104 V N -0.481 119.226 119.914 -0.346 0.000 2.407 104 V HA -0.258 3.862 4.120 0.001 0.000 0.248 104 V C 2.441 178.451 176.094 -0.140 0.000 1.055 104 V CA 1.896 64.035 62.300 -0.268 0.000 1.049 104 V CB -0.938 30.720 31.823 -0.275 0.000 0.662 104 V HN 0.595 nan 8.190 nan 0.000 0.455 105 H N 0.460 119.499 119.070 -0.051 0.000 2.353 105 H HA -0.073 4.483 4.556 0.001 0.000 0.300 105 H C 2.386 177.643 175.328 -0.118 0.000 1.090 105 H CA 1.235 57.253 56.048 -0.051 0.000 1.327 105 H CB -0.169 29.578 29.762 -0.024 0.000 1.383 105 H HN 0.340 nan 8.280 nan 0.000 0.508 106 K N 0.734 121.081 120.400 -0.088 0.000 2.063 106 K HA -0.102 4.219 4.320 0.001 0.000 0.208 106 K C 2.493 178.988 176.600 -0.175 0.000 1.048 106 K CA 0.658 56.821 56.287 -0.207 0.000 0.928 106 K CB -0.525 31.650 32.500 -0.543 0.000 0.713 106 K HN 0.272 nan 8.250 nan 0.000 0.442 107 L N 0.817 121.917 121.223 -0.206 0.000 2.046 107 L HA -0.201 4.139 4.340 0.001 0.000 0.208 107 L C 2.321 179.159 176.870 -0.053 0.000 1.077 107 L CA 1.146 55.916 54.840 -0.117 0.000 0.747 107 L CB -0.477 41.502 42.059 -0.134 0.000 0.896 107 L HN 0.123 nan 8.230 nan 0.000 0.432 108 D N 0.183 120.563 120.400 -0.033 0.000 2.104 108 D HA -0.195 4.445 4.640 0.001 0.000 0.194 108 D C 1.767 178.066 176.300 -0.003 0.000 0.994 108 D CA 1.328 55.326 54.000 -0.003 0.000 0.830 108 D CB -0.012 40.808 40.800 0.034 0.000 0.959 108 D HN 0.233 nan 8.370 nan 0.000 0.452 109 D N -0.312 120.086 120.400 -0.005 0.000 2.144 109 D HA -0.130 4.510 4.640 0.001 0.000 0.200 109 D C 2.062 178.366 176.300 0.007 0.000 0.978 109 D CA 0.408 54.404 54.000 -0.006 0.000 0.833 109 D CB -0.354 40.437 40.800 -0.014 0.000 0.961 109 D HN 0.297 nan 8.370 nan 0.000 0.470 110 M N 0.103 119.708 119.600 0.009 0.000 2.086 110 M HA -0.167 4.314 4.480 0.001 0.000 0.261 110 M C 2.023 178.346 176.300 0.040 0.000 1.067 110 M CA 1.137 56.457 55.300 0.034 0.000 1.116 110 M CB -0.016 32.613 32.600 0.049 0.000 1.348 110 M HN 0.050 nan 8.290 nan 0.000 0.407 111 L N 0.831 122.066 121.223 0.020 0.000 2.042 111 L HA -0.211 4.130 4.340 0.001 0.000 0.210 111 L C 2.164 179.055 176.870 0.035 0.000 1.076 111 L CA 2.280 57.132 54.840 0.020 0.000 0.749 111 L CB -0.841 41.215 42.059 -0.005 0.000 0.893 111 L HN 0.385 nan 8.230 nan 0.000 0.432 112 E N -0.259 119.955 120.200 0.025 0.000 2.077 112 E HA -0.215 4.136 4.350 0.001 0.000 0.193 112 E C 1.859 178.484 176.600 0.041 0.000 0.989 112 E CA 1.663 58.079 56.400 0.027 0.000 0.800 112 E CB -0.301 29.405 29.700 0.010 0.000 0.746 112 E HN 0.550 nan 8.360 nan 0.000 0.452 113 D N 0.138 120.563 120.400 0.041 0.000 2.149 113 D HA -0.153 4.488 4.640 0.001 0.000 0.198 113 D C 1.998 178.341 176.300 0.071 0.000 0.990 113 D CA 1.627 55.654 54.000 0.046 0.000 0.839 113 D CB -0.331 40.493 40.800 0.041 0.000 0.948 113 D HN 0.562 nan 8.370 nan 0.000 0.460 114 I N -2.198 118.437 120.570 0.107 0.000 3.419 114 I HA 0.023 4.194 4.170 0.001 0.000 0.286 114 I C 1.671 177.936 176.117 0.247 0.000 1.268 114 I CA 0.594 61.999 61.300 0.175 0.000 1.414 114 I CB -0.073 38.084 38.000 0.261 0.000 1.074 114 I HN -0.166 nan 8.210 nan 0.000 0.457 115 Q N 1.663 121.574 119.800 0.186 0.000 2.373 115 Q HA 0.085 4.425 4.340 0.001 0.000 0.210 115 Q C 1.435 177.510 176.000 0.124 0.000 0.913 115 Q CA 0.552 56.473 55.803 0.198 0.000 0.911 115 Q CB 0.419 29.231 28.738 0.123 0.000 1.040 115 Q HN 0.729 nan 8.270 nan 0.000 0.521 122 E N 2.112 122.072 120.200 -0.401 0.000 2.343 122 E HA 0.109 4.460 4.350 0.001 0.000 0.269 122 E C -0.005 176.485 176.600 -0.182 0.000 1.047 122 E CA -0.331 55.934 56.400 -0.225 0.000 0.874 122 E CB 0.976 30.596 29.700 -0.134 0.000 1.033 122 E HN 0.194 nan 8.360 nan 0.000 0.409 123 E N 2.562 122.745 120.200 -0.029 0.000 1.852 123 E HA 0.070 4.420 4.350 0.001 0.000 0.276 123 E C -0.307 176.194 176.600 -0.164 0.000 1.163 123 E CA -0.200 56.251 56.400 0.086 0.000 1.117 123 E CB -0.640 29.211 29.700 0.252 0.000 1.124 123 E HN 0.361 nan 8.360 nan 0.000 0.458 124 N N -1.652 116.844 118.700 -0.340 0.000 2.577 124 N HA 0.115 4.856 4.740 0.001 0.000 0.285 124 N C 0.757 176.030 175.510 -0.395 0.000 1.309 124 N CA -0.633 52.252 53.050 -0.274 0.000 0.798 124 N CB 0.471 38.895 38.487 -0.104 0.000 1.463 124 N HN -0.074 nan 8.380 nan 0.000 0.518 125 S N -1.299 114.314 115.700 -0.145 0.000 2.400 125 S HA -0.265 4.206 4.470 0.001 0.000 0.232 125 S C 1.341 175.937 174.600 -0.007 0.000 1.025 125 S CA 1.340 59.519 58.200 -0.035 0.000 0.993 125 S CB -0.613 62.597 63.200 0.018 0.000 0.808 125 S HN 0.731 nan 8.310 nan 0.000 0.478 126 E N 0.194 120.393 120.200 -0.003 0.000 2.051 126 E HA -0.169 4.181 4.350 0.001 0.000 0.192 126 E C 1.831 178.493 176.600 0.104 0.000 0.991 126 E CA 1.298 57.724 56.400 0.045 0.000 0.799 126 E CB -0.291 29.435 29.700 0.043 0.000 0.748 126 E HN 0.586 nan 8.360 nan 0.000 0.449 127 F N 1.292 121.194 119.950 -0.080 0.000 2.113 127 F HA -0.135 4.392 4.527 0.001 0.000 0.297 127 F C 1.949 177.800 175.800 0.085 0.000 1.103 127 F CA 2.073 60.058 58.000 -0.025 0.000 1.248 127 F CB -0.583 38.373 39.000 -0.073 0.000 0.999 127 F HN 0.136 nan 8.300 nan 0.000 0.475 128 H N -1.217 117.807 119.070 -0.078 0.000 2.421 128 H HA -0.036 4.520 4.556 0.001 0.000 0.298 128 H C 2.457 177.708 175.328 -0.129 0.000 1.087 128 H CA 0.456 56.394 56.048 -0.184 0.000 1.330 128 H CB -0.538 29.196 29.762 -0.046 0.000 1.388 128 H HN 0.444 nan 8.280 nan 0.000 0.526 129 G N 0.980 109.820 108.800 0.068 0.000 2.433 129 G HA2 -0.239 3.721 3.960 0.001 0.000 0.216 129 G HA3 -0.239 3.721 3.960 0.001 0.000 0.216 129 G C 1.684 176.612 174.900 0.047 0.000 1.186 129 G CA 0.643 45.771 45.100 0.046 0.000 0.779 129 G HN 0.378 nan 8.290 nan 0.000 0.543 130 I N 0.349 120.944 120.570 0.043 0.000 2.286 130 I HA -0.079 4.091 4.170 0.001 0.000 0.248 130 I C 2.634 178.752 176.117 0.002 0.000 1.115 130 I CA 0.646 61.991 61.300 0.076 0.000 1.392 130 I CB 0.002 38.057 38.000 0.091 0.000 1.065 130 I HN 0.142 nan 8.210 nan 0.000 0.418 131 L N -0.040 121.102 121.223 -0.134 0.000 2.012 131 L HA -0.250 4.090 4.340 0.001 0.000 0.210 131 L C 2.487 179.313 176.870 -0.074 0.000 1.073 131 L CA 1.992 56.726 54.840 -0.177 0.000 0.748 131 L CB -1.098 40.749 42.059 -0.353 0.000 0.891 131 L HN 0.239 nan 8.230 nan 0.000 0.431 132 T N -2.393 112.140 114.554 -0.036 0.000 2.821 132 T HA -0.225 4.125 4.350 0.001 0.000 0.267 132 T C 1.788 176.531 174.700 0.072 0.000 1.046 132 T CA 1.174 63.277 62.100 0.006 0.000 1.139 132 T CB -0.363 68.511 68.868 0.010 0.000 0.871 132 T HN 0.467 nan 8.240 nan 0.000 0.454 133 H N 0.721 119.779 119.070 -0.021 0.000 2.321 133 H HA -0.006 4.551 4.556 0.001 0.000 0.300 133 H C 2.236 177.565 175.328 0.001 0.000 1.087 133 H CA 1.101 57.146 56.048 -0.004 0.000 1.319 133 H CB -0.173 29.591 29.762 0.003 0.000 1.379 133 H HN 0.243 nan 8.280 nan 0.000 0.501 134 L N 0.668 121.827 121.223 -0.106 0.000 2.017 134 L HA -0.190 4.151 4.340 0.001 0.000 0.208 134 L C 2.626 179.446 176.870 -0.082 0.000 1.073 134 L CA 1.580 56.325 54.840 -0.158 0.000 0.745 134 L CB -0.385 41.623 42.059 -0.086 0.000 0.894 134 L HN 0.420 nan 8.230 nan 0.000 0.432 135 E N -0.563 119.614 120.200 -0.038 0.000 2.058 135 E HA -0.257 4.094 4.350 0.001 0.000 0.194 135 E C 2.307 178.907 176.600 -0.001 0.000 0.997 135 E CA 1.122 57.511 56.400 -0.018 0.000 0.801 135 E CB -0.070 29.620 29.700 -0.016 0.000 0.746 135 E HN 0.442 nan 8.360 nan 0.000 0.450 136 Q N 0.301 120.111 119.800 0.017 0.000 2.123 136 Q HA -0.108 4.233 4.340 0.001 0.000 0.199 136 Q C 2.350 178.370 176.000 0.034 0.000 0.966 136 Q CA 0.688 56.514 55.803 0.037 0.000 0.845 136 Q CB -0.365 28.411 28.738 0.064 0.000 0.907 136 Q HN 0.229 nan 8.270 nan 0.000 0.439 137 L N 0.656 121.883 121.223 0.007 0.000 2.083 137 L HA -0.109 4.232 4.340 0.001 0.000 0.209 137 L C 2.029 178.884 176.870 -0.026 0.000 1.083 137 L CA 1.377 56.206 54.840 -0.018 0.000 0.752 137 L CB -0.496 41.487 42.059 -0.126 0.000 0.899 137 L HN 0.111 nan 8.230 nan 0.000 0.433 138 I N -0.613 119.937 120.570 -0.032 0.000 2.252 138 I HA -0.305 3.865 4.170 0.001 0.000 0.245 138 I C 2.557 178.697 176.117 0.039 0.000 1.102 138 I CA 1.462 62.756 61.300 -0.010 0.000 1.385 138 I CB -0.401 37.598 38.000 -0.003 0.000 1.064 138 I HN 0.297 nan 8.210 nan 0.000 0.414 139 K N 1.176 121.603 120.400 0.044 0.000 2.063 139 K HA -0.185 4.135 4.320 0.001 0.000 0.208 139 K C 2.330 178.975 176.600 0.075 0.000 1.048 139 K CA 1.429 57.756 56.287 0.066 0.000 0.928 139 K CB 0.008 32.538 32.500 0.049 0.000 0.713 139 K HN 0.224 nan 8.250 nan 0.000 0.442 140 R N -0.080 120.458 120.500 0.062 0.000 2.075 140 R HA -0.040 4.301 4.340 0.001 0.000 0.232 140 R C 2.476 178.833 176.300 0.095 0.000 1.126 140 R CA 1.544 57.687 56.100 0.072 0.000 0.963 140 R CB -0.232 30.107 30.300 0.065 0.000 0.858 140 R HN 0.137 nan 8.270 nan 0.000 0.435 141 S N 1.127 116.879 115.700 0.087 0.000 2.382 141 S HA -0.135 4.336 4.470 0.001 0.000 0.228 141 S C 1.702 176.398 174.600 0.161 0.000 1.027 141 S CA 1.233 59.516 58.200 0.138 0.000 0.991 141 S CB -0.089 63.107 63.200 -0.007 0.000 0.823 141 S HN 0.384 nan 8.310 nan 0.000 0.469 142 E N 1.156 121.438 120.200 0.136 0.000 2.152 142 E HA -0.010 4.341 4.350 0.001 0.000 0.192 142 E C 2.285 179.044 176.600 0.266 0.000 0.983 142 E CA 0.782 57.319 56.400 0.229 0.000 0.818 142 E CB -0.203 29.706 29.700 0.348 0.000 0.758 142 E HN 0.513 nan 8.360 nan 0.000 0.467 143 A N 1.128 124.047 122.820 0.165 0.000 1.969 143 A HA -0.242 4.079 4.320 0.001 0.000 0.218 143 A C 2.130 179.782 177.584 0.114 0.000 1.169 143 A CA 1.516 53.623 52.037 0.116 0.000 0.635 143 A CB -0.338 18.711 19.000 0.081 0.000 0.810 143 A HN 0.111 nan 8.150 nan 0.000 0.445 144 Q N 0.066 119.932 119.800 0.110 0.000 2.119 144 Q HA -0.012 4.328 4.340 0.001 0.000 0.201 144 Q C 1.748 177.786 176.000 0.063 0.000 0.972 144 Q CA 1.473 57.320 55.803 0.072 0.000 0.847 144 Q CB -0.564 28.204 28.738 0.050 0.000 0.903 144 Q HN 0.646 nan 8.270 nan 0.000 0.433 145 L N -0.341 120.929 121.223 0.079 0.000 2.083 145 L HA -0.148 4.193 4.340 0.001 0.000 0.209 145 L C 2.529 179.561 176.870 0.269 0.000 1.083 145 L CA 1.374 56.275 54.840 0.101 0.000 0.752 145 L CB -0.285 41.798 42.059 0.040 0.000 0.899 145 L HN 0.201 nan 8.230 nan 0.000 0.433 146 R N -0.826 119.817 120.500 0.239 0.000 2.073 146 R HA -0.098 4.243 4.340 0.001 0.000 0.229 146 R C 2.251 178.674 176.300 0.205 0.000 1.120 146 R CA 1.078 57.280 56.100 0.170 0.000 0.967 146 R CB -0.473 29.838 30.300 0.018 0.000 0.862 146 R HN 0.156 nan 8.270 nan 0.000 0.436 147 V N 0.363 120.371 119.914 0.157 0.000 2.287 147 V HA -0.298 3.822 4.120 0.001 0.000 0.248 147 V C 1.961 178.147 176.094 0.154 0.000 1.053 147 V CA 1.809 64.185 62.300 0.127 0.000 1.027 147 V CB -0.603 31.279 31.823 0.100 0.000 0.646 147 V HN 0.290 nan 8.190 nan 0.000 0.447 148 Y N -0.377 119.954 120.300 0.051 0.000 2.181 148 Y HA -0.271 4.280 4.550 0.001 0.000 0.288 148 Y C 2.245 178.193 175.900 0.081 0.000 1.146 148 Y CA 1.846 59.963 58.100 0.028 0.000 1.164 148 Y CB -0.379 38.067 38.460 -0.025 0.000 0.982 148 Y HN 0.261 nan 8.280 nan 0.000 0.515 149 F N 0.230 120.257 119.950 0.128 0.000 2.075 149 F HA -0.254 4.273 4.527 0.000 0.000 0.297 149 F C 2.100 177.873 175.800 -0.045 0.000 1.113 149 F CA 1.916 59.946 58.000 0.049 0.000 1.218 149 F CB -0.656 38.408 39.000 0.106 0.000 0.984 149 F HN -0.003 nan 8.300 nan 0.000 0.472 150 I N -0.846 119.788 120.570 0.106 0.000 2.286 150 I HA -0.310 3.860 4.170 0.001 0.000 0.248 150 I C 2.697 178.752 176.117 -0.102 0.000 1.115 150 I CA 1.452 62.739 61.300 -0.021 0.000 1.392 150 I CB -0.710 37.328 38.000 0.062 0.000 1.065 150 I HN 0.221 nan 8.210 nan 0.000 0.418 151 S N 1.142 116.778 115.700 -0.106 0.000 2.356 151 S HA -0.143 4.327 4.470 0.001 0.000 0.223 151 S C 2.076 176.555 174.600 -0.202 0.000 1.032 151 S CA 1.263 59.376 58.200 -0.145 0.000 1.005 151 S CB -0.251 62.841 63.200 -0.180 0.000 0.867 151 S HN 0.325 nan 8.310 nan 0.000 0.449 152 I N 1.319 121.701 120.570 -0.313 0.000 2.179 152 I HA -0.190 3.980 4.170 0.001 0.000 0.242 152 I C 2.230 178.180 176.117 -0.278 0.000 1.088 152 I CA 1.164 62.268 61.300 -0.327 0.000 1.357 152 I CB -0.406 37.342 38.000 -0.421 0.000 1.051 152 I HN 0.320 nan 8.210 nan 0.000 0.409 153 L N 0.331 121.328 121.223 -0.376 0.000 2.127 153 L HA -0.218 4.123 4.340 0.001 0.000 0.211 153 L C 1.353 178.258 176.870 0.059 0.000 1.089 153 L CA 1.611 56.297 54.840 -0.258 0.000 0.757 153 L CB -0.641 41.218 42.059 -0.332 0.000 0.899 153 L HN 0.319 nan 8.230 nan 0.000 0.434 154 N N -1.053 117.640 118.700 -0.012 0.000 2.314 154 N HA -0.060 4.680 4.740 0.001 0.000 0.200 154 N C 1.676 177.208 175.510 0.038 0.000 1.135 154 N CA 0.453 53.517 53.050 0.025 0.000 0.835 154 N CB 0.249 38.732 38.487 -0.007 0.000 0.989 154 N HN 0.225 nan 8.380 nan 0.000 0.478 155 S N -0.097 115.641 115.700 0.064 0.000 2.447 155 S HA -0.004 4.466 4.470 0.001 0.000 0.233 155 S C 0.680 175.309 174.600 0.048 0.000 1.006 155 S CA 0.416 58.644 58.200 0.046 0.000 0.957 155 S CB -0.176 63.057 63.200 0.056 0.000 0.773 155 S HN 0.195 nan 8.310 nan 0.000 0.507 156 I N 2.715 123.323 120.570 0.062 0.000 2.304 156 I HA 0.315 4.485 4.170 0.001 0.000 0.291 156 I C -0.151 176.004 176.117 0.064 0.000 1.018 156 I CA -0.716 60.592 61.300 0.014 0.000 1.260 156 I CB 0.910 38.851 38.000 -0.098 0.000 1.390 156 I HN -0.008 nan 8.210 nan 0.000 0.475 157 K N 6.642 127.094 120.400 0.087 0.000 2.087 157 K HA 0.498 4.818 4.320 0.001 0.000 0.255 157 K C -2.375 174.325 176.600 0.167 0.000 0.988 157 K CA -2.172 54.176 56.287 0.102 0.000 0.915 157 K CB 0.342 32.892 32.500 0.085 0.000 1.043 157 K HN 0.184 nan 8.250 nan 0.000 0.457 158 P HA 0.038 nan 4.420 nan 0.000 0.267 158 P C -0.786 176.633 177.300 0.198 0.000 1.200 158 P CA 0.195 63.353 63.100 0.096 0.000 0.772 158 P CB 0.182 31.947 31.700 0.109 0.000 0.855 159 F N -0.902 119.094 119.950 0.077 0.000 2.645 159 F HA 0.470 4.998 4.527 0.001 0.000 0.310 159 F C -1.007 174.560 175.800 -0.389 0.000 1.102 159 F CA -1.485 56.406 58.000 -0.181 0.000 0.952 159 F CB 1.010 39.910 39.000 -0.166 0.000 1.326 159 F HN 0.064 nan 8.300 nan 0.000 0.456 160 D N 3.064 123.101 120.400 -0.604 0.000 2.336 160 D HA 0.294 4.935 4.640 0.001 0.000 0.249 160 D C -1.932 174.386 176.300 0.029 0.000 1.213 160 D CA -1.967 51.683 54.000 -0.583 0.000 0.870 160 D CB 1.756 42.130 40.800 -0.710 0.000 1.076 160 D HN 0.276 nan 8.370 nan 0.000 0.483 161 P HA -0.162 nan 4.420 nan 0.000 0.218 161 P C 1.198 178.607 177.300 0.183 0.000 1.148 161 P CA 0.898 64.090 63.100 0.154 0.000 0.822 161 P CB 0.314 32.038 31.700 0.039 0.000 0.784 162 Q N -0.037 119.838 119.800 0.125 0.000 2.197 162 Q HA -0.182 4.158 4.340 0.001 0.000 0.207 162 Q C 1.847 177.881 176.000 0.056 0.000 0.984 162 Q CA 1.635 57.492 55.803 0.090 0.000 0.869 162 Q CB -1.218 27.554 28.738 0.057 0.000 0.906 162 Q HN 0.238 nan 8.270 nan 0.000 0.426 163 I N -0.100 120.493 120.570 0.038 0.000 2.163 163 I HA -0.277 3.893 4.170 0.001 0.000 0.240 163 I C 1.984 178.114 176.117 0.022 0.000 1.081 163 I CA 1.192 62.496 61.300 0.006 0.000 1.353 163 I CB -0.474 37.508 38.000 -0.029 0.000 1.054 163 I HN 0.287 nan 8.210 nan 0.000 0.407 164 N N 1.149 119.884 118.700 0.058 0.000 2.069 164 N HA -0.188 4.552 4.740 0.001 0.000 0.191 164 N C 2.002 177.562 175.510 0.084 0.000 1.031 164 N CA 1.594 54.692 53.050 0.080 0.000 0.852 164 N CB -0.243 38.383 38.487 0.231 0.000 1.018 164 N HN 0.352 nan 8.380 nan 0.000 0.423 165 I N 1.222 121.868 120.570 0.126 0.000 2.099 165 I HA -0.257 3.913 4.170 0.001 0.000 0.239 165 I C 2.250 178.383 176.117 0.026 0.000 1.066 165 I CA 1.239 62.582 61.300 0.071 0.000 1.324 165 I CB -0.706 37.350 38.000 0.094 0.000 1.037 165 I HN 0.113 nan 8.210 nan 0.000 0.401 166 T N 0.699 115.267 114.554 0.023 0.000 2.720 166 T HA -0.151 4.199 4.350 0.001 0.000 0.268 166 T C 1.729 176.425 174.700 -0.008 0.000 1.037 166 T CA 1.165 63.267 62.100 0.002 0.000 1.144 166 T CB -0.098 68.766 68.868 -0.006 0.000 0.864 166 T HN 0.152 nan 8.240 nan 0.000 0.444 167 K N 0.896 121.290 120.400 -0.009 0.000 2.487 167 K HA 0.147 4.467 4.320 0.001 0.000 0.192 167 K C 0.504 177.089 176.600 -0.026 0.000 1.027 167 K CA 0.136 56.411 56.287 -0.020 0.000 1.054 167 K CB 0.070 32.554 32.500 -0.027 0.000 0.824 167 K HN 0.411 nan 8.250 nan 0.000 0.510 168 K N 0.613 120.999 120.400 -0.024 0.000 3.096 168 K HA -0.176 4.145 4.320 0.001 0.000 0.266 168 K C -0.387 176.180 176.600 -0.054 0.000 1.043 168 K CA 0.639 56.901 56.287 -0.040 0.000 0.758 168 K CB -1.404 31.073 32.500 -0.040 0.000 1.260 168 K HN 0.212 nan 8.250 nan 0.000 0.481 169 M N 0.048 119.619 119.600 -0.049 0.000 2.456 169 M HA 0.357 4.837 4.480 0.001 0.000 0.324 169 M C -2.290 173.965 176.300 -0.074 0.000 1.124 169 M CA -2.173 53.090 55.300 -0.062 0.000 0.959 169 M CB 1.632 34.197 32.600 -0.058 0.000 1.692 169 M HN -0.215 nan 8.290 nan 0.000 0.444 170 P HA 0.149 nan 4.420 nan 0.000 0.272 170 P C -0.836 176.454 177.300 -0.017 0.000 1.230 170 P CA -0.188 62.821 63.100 -0.151 0.000 0.788 170 P CB 0.349 31.965 31.700 -0.141 0.000 0.949 171 F N 0.963 120.802 119.950 -0.185 0.000 2.485 171 F HA 0.224 4.751 4.527 0.000 0.000 0.327 171 F C -1.385 174.311 175.800 -0.174 0.000 1.203 171 F CA -2.282 55.587 58.000 -0.219 0.000 1.295 171 F CB -1.756 37.192 39.000 -0.087 0.000 1.191 171 F HN 0.208 nan 8.300 nan 0.000 0.588 172 P HA 0.153 nan 4.420 nan 0.000 0.272 172 P C -1.560 175.797 177.300 0.095 0.000 1.223 172 P CA 0.193 63.271 63.100 -0.037 0.000 0.784 172 P CB 0.414 32.038 31.700 -0.126 0.000 0.923 173 Y N 0.646 120.867 120.300 -0.133 0.000 2.544 173 Y HA 0.366 4.916 4.550 0.001 0.000 0.342 173 Y C -0.883 174.921 175.900 -0.160 0.000 1.062 173 Y CA -1.143 56.855 58.100 -0.169 0.000 1.023 173 Y CB 0.890 39.321 38.460 -0.048 0.000 1.308 173 Y HN 0.281 nan 8.280 nan 0.000 0.457 174 Y N 3.090 123.077 120.300 -0.521 0.000 2.683 174 Y HA 0.091 4.641 4.550 0.001 0.000 0.340 174 Y C 0.903 176.687 175.900 -0.193 0.000 1.245 174 Y CA -0.009 57.882 58.100 -0.349 0.000 1.485 174 Y CB 0.285 38.488 38.460 -0.429 0.000 1.328 174 Y HN 0.502 nan 8.280 nan 0.000 0.603 175 E N 0.728 120.974 120.200 0.078 0.000 2.392 175 E HA 0.023 4.373 4.350 0.001 0.000 0.256 175 E C -0.291 176.347 176.600 0.062 0.000 1.145 175 E CA -0.479 55.962 56.400 0.069 0.000 0.929 175 E CB 0.688 30.415 29.700 0.045 0.000 0.998 175 E HN 0.562 nan 8.360 nan 0.000 0.442 176 D N 1.179 121.622 120.400 0.072 0.000 2.133 176 D HA -0.188 4.452 4.640 0.001 0.000 0.195 176 D C 1.833 178.156 176.300 0.039 0.000 0.997 176 D CA 1.632 55.672 54.000 0.066 0.000 0.840 176 D CB -0.128 40.710 40.800 0.063 0.000 0.947 176 D HN 0.459 nan 8.370 nan 0.000 0.452 177 Q N 0.163 119.978 119.800 0.026 0.000 2.124 177 Q HA -0.102 4.239 4.340 0.001 0.000 0.202 177 Q C 2.182 178.183 176.000 0.003 0.000 0.977 177 Q CA 1.057 56.868 55.803 0.013 0.000 0.850 177 Q CB -0.146 28.596 28.738 0.007 0.000 0.901 177 Q HN 0.434 nan 8.270 nan 0.000 0.429 178 Q N -0.080 119.713 119.800 -0.012 0.000 2.079 178 Q HA -0.075 4.265 4.340 0.001 0.000 0.200 178 Q C 2.071 178.011 176.000 -0.100 0.000 0.974 178 Q CA 0.936 56.699 55.803 -0.067 0.000 0.840 178 Q CB -0.105 28.584 28.738 -0.082 0.000 0.898 178 Q HN 0.377 nan 8.270 nan 0.000 0.430 179 L N -0.027 121.156 121.223 -0.066 0.000 2.042 179 L HA -0.160 4.180 4.340 0.001 0.000 0.210 179 L C 2.404 179.277 176.870 0.006 0.000 1.076 179 L CA 1.191 55.997 54.840 -0.057 0.000 0.749 179 L CB -0.875 41.190 42.059 0.010 0.000 0.893 179 L HN 0.350 nan 8.230 nan 0.000 0.432 180 G N -0.359 108.462 108.800 0.035 0.000 2.446 180 G HA2 -0.277 3.683 3.960 0.001 0.000 0.217 180 G HA3 -0.277 3.683 3.960 0.001 0.000 0.217 180 G C 1.770 176.748 174.900 0.130 0.000 1.168 180 G CA 0.878 46.026 45.100 0.079 0.000 0.771 180 G HN 0.475 nan 8.290 nan 0.000 0.551 181 A N 0.468 123.346 122.820 0.096 0.000 1.902 181 A HA 0.094 4.415 4.320 0.001 0.000 0.217 181 A C 2.472 180.204 177.584 0.246 0.000 1.181 181 A CA 1.353 53.490 52.037 0.167 0.000 0.623 181 A CB -0.429 18.661 19.000 0.151 0.000 0.818 181 A HN 0.358 nan 8.150 nan 0.000 0.443 182 L N -0.490 120.810 121.223 0.128 0.000 2.012 182 L HA -0.189 4.151 4.340 0.001 0.000 0.210 182 L C 2.893 179.934 176.870 0.286 0.000 1.073 182 L CA 1.621 56.574 54.840 0.189 0.000 0.748 182 L CB -0.488 41.494 42.059 -0.128 0.000 0.891 182 L HN 0.326 nan 8.230 nan 0.000 0.431 183 S N -1.195 114.596 115.700 0.151 0.000 2.382 183 S HA -0.212 4.259 4.470 0.001 0.000 0.228 183 S C 1.588 176.295 174.600 0.178 0.000 1.027 183 S CA 1.071 59.330 58.200 0.098 0.000 0.991 183 S CB -0.398 62.842 63.200 0.066 0.000 0.823 183 S HN 0.522 nan 8.310 nan 0.000 0.469 184 W N 1.975 123.321 121.300 0.077 0.000 2.363 184 W HA -0.070 4.590 4.660 0.001 0.000 0.296 184 W C 1.598 178.183 176.519 0.110 0.000 1.212 184 W CA 1.000 58.396 57.345 0.085 0.000 1.260 184 W CB -0.319 29.180 29.460 0.064 0.000 1.131 184 W HN 0.280 nan 8.180 nan 0.000 0.530 185 I N 0.263 121.018 120.570 0.308 0.000 2.353 185 I HA -0.315 3.855 4.170 0.001 0.000 0.248 185 I C 2.502 178.693 176.117 0.123 0.000 1.119 185 I CA 0.789 62.203 61.300 0.191 0.000 1.417 185 I CB -0.684 37.490 38.000 0.290 0.000 1.078 185 I HN -0.129 nan 8.210 nan 0.000 0.421 186 L N 0.329 121.630 121.223 0.129 0.000 2.017 186 L HA -0.255 4.086 4.340 0.001 0.000 0.208 186 L C 2.199 179.227 176.870 0.265 0.000 1.073 186 L CA 1.396 56.346 54.840 0.182 0.000 0.745 186 L CB -0.612 41.528 42.059 0.135 0.000 0.894 186 L HN 0.266 nan 8.230 nan 0.000 0.432 187 D N -1.083 119.367 120.400 0.083 0.000 2.117 187 D HA -0.239 4.402 4.640 0.001 0.000 0.197 187 D C 1.890 178.141 176.300 -0.082 0.000 0.987 187 D CA 1.273 55.264 54.000 -0.015 0.000 0.829 187 D CB -0.139 40.553 40.800 -0.180 0.000 0.961 187 D HN 0.322 nan 8.370 nan 0.000 0.460 188 Y N 0.593 120.722 120.300 -0.284 0.000 2.097 188 Y HA -0.279 4.271 4.550 0.001 0.000 0.282 188 Y C 2.069 177.790 175.900 -0.298 0.000 1.152 188 Y CA 1.648 59.532 58.100 -0.361 0.000 1.136 188 Y CB -0.519 37.622 38.460 -0.532 0.000 0.975 188 Y HN -0.162 nan 8.280 nan 0.000 0.498 189 F N -0.695 119.260 119.950 0.007 0.000 2.325 189 F HA -0.147 4.380 4.527 0.001 0.000 0.299 189 F C 2.554 178.236 175.800 -0.197 0.000 1.090 189 F CA 1.466 59.397 58.000 -0.115 0.000 1.392 189 F CB -0.674 38.266 39.000 -0.101 0.000 1.053 189 F HN 0.236 nan 8.300 nan 0.000 0.521 190 H N -1.002 118.106 119.070 0.064 0.000 2.428 190 H HA 0.010 4.566 4.556 0.001 0.000 0.296 190 H C 2.428 177.726 175.328 -0.050 0.000 1.062 190 H CA 1.271 57.337 56.048 0.031 0.000 1.350 190 H CB -0.503 29.291 29.762 0.054 0.000 1.403 190 H HN 0.323 nan 8.280 nan 0.000 0.533 191 G N 0.279 109.056 108.800 -0.039 0.000 2.484 191 G HA2 -0.158 3.803 3.960 0.001 0.000 0.218 191 G HA3 -0.158 3.803 3.960 0.001 0.000 0.218 191 G C 1.120 175.910 174.900 -0.184 0.000 1.130 191 G CA 0.076 45.093 45.100 -0.138 0.000 0.784 191 G HN 0.284 nan 8.290 nan 0.000 0.543 192 N N 0.790 119.357 118.700 -0.222 0.000 2.538 192 N HA 0.169 4.909 4.740 0.001 0.000 0.291 192 N C 0.310 175.787 175.510 -0.056 0.000 1.323 192 N CA 0.059 53.001 53.050 -0.179 0.000 0.934 192 N CB 0.718 39.019 38.487 -0.310 0.000 1.255 192 N HN 0.025 nan 8.380 nan 0.000 0.509 193 S N 0.337 116.013 115.700 -0.041 0.000 3.533 193 S HA -0.173 4.298 4.470 0.001 0.000 0.347 193 S C 0.612 175.203 174.600 -0.015 0.000 1.101 193 S CA 0.755 58.944 58.200 -0.020 0.000 1.009 193 S CB -1.059 62.131 63.200 -0.016 0.000 0.916 193 S HN 0.589 nan 8.310 nan 0.000 0.496 194 E N -1.027 119.163 120.200 -0.015 0.000 2.968 194 E HA 0.219 4.570 4.350 0.001 0.000 0.202 194 E C 1.791 178.287 176.600 -0.173 0.000 0.979 194 E CA 0.279 56.654 56.400 -0.043 0.000 1.192 194 E CB 0.266 30.004 29.700 0.063 0.000 1.059 194 E HN 0.463 nan 8.360 nan 0.000 0.470 195 G N 1.754 110.400 108.800 -0.257 0.000 2.491 195 G HA2 -0.364 3.597 3.960 0.001 0.000 0.218 195 G HA3 -0.364 3.597 3.960 0.001 0.000 0.218 195 G C 1.714 176.418 174.900 -0.327 0.000 1.180 195 G CA 1.501 46.219 45.100 -0.637 0.000 0.774 195 G HN 0.394 nan 8.290 nan 0.000 0.562 196 S N 0.668 116.299 115.700 -0.115 0.000 2.382 196 S HA -0.045 4.425 4.470 0.001 0.000 0.228 196 S C 2.360 176.924 174.600 -0.059 0.000 1.027 196 S CA 1.214 59.397 58.200 -0.028 0.000 0.991 196 S CB -0.397 62.804 63.200 0.002 0.000 0.823 196 S HN 0.384 nan 8.310 nan 0.000 0.469 197 I N 0.827 121.327 120.570 -0.117 0.000 2.142 197 I HA -0.104 4.066 4.170 0.001 0.000 0.240 197 I C 2.503 178.504 176.117 -0.194 0.000 1.078 197 I CA 1.335 62.545 61.300 -0.150 0.000 1.343 197 I CB -0.407 37.475 38.000 -0.198 0.000 1.046 197 I HN 0.289 nan 8.210 nan 0.000 0.405 198 I N 0.460 120.860 120.570 -0.285 0.000 2.546 198 I HA -0.254 3.916 4.170 0.001 0.000 0.255 198 I C 2.467 178.545 176.117 -0.064 0.000 1.163 198 I CA 1.459 62.573 61.300 -0.310 0.000 1.457 198 I CB -0.450 37.298 38.000 -0.420 0.000 1.092 198 I HN 0.242 nan 8.210 nan 0.000 0.434 199 Q N 0.058 119.862 119.800 0.006 0.000 2.079 199 Q HA -0.217 4.123 4.340 0.001 0.000 0.200 199 Q C 1.635 177.699 176.000 0.107 0.000 0.974 199 Q CA 1.814 57.704 55.803 0.146 0.000 0.840 199 Q CB -0.036 28.810 28.738 0.179 0.000 0.898 199 Q HN 0.463 nan 8.270 nan 0.000 0.430 200 D N 0.398 120.826 120.400 0.047 0.000 2.144 200 D HA -0.143 4.497 4.640 0.001 0.000 0.199 200 D C 1.865 178.196 176.300 0.051 0.000 0.984 200 D CA 0.986 55.008 54.000 0.036 0.000 0.834 200 D CB -0.085 40.721 40.800 0.010 0.000 0.955 200 D HN 0.370 nan 8.370 nan 0.000 0.465 201 I N 0.373 120.978 120.570 0.059 0.000 2.202 201 I HA -0.229 3.941 4.170 0.001 0.000 0.242 201 I C 2.346 178.573 176.117 0.185 0.000 1.091 201 I CA 0.395 61.759 61.300 0.107 0.000 1.368 201 I CB -0.097 37.969 38.000 0.111 0.000 1.058 201 I HN -0.003 nan 8.210 nan 0.000 0.410 202 L N 0.583 121.975 121.223 0.282 0.000 1.970 202 L HA -0.189 4.151 4.340 0.001 0.000 0.212 202 L C 2.446 179.399 176.870 0.138 0.000 1.071 202 L CA 1.918 56.919 54.840 0.268 0.000 0.751 202 L CB -0.669 41.600 42.059 0.350 0.000 0.889 202 L HN -0.018 nan 8.230 nan 0.000 0.432 203 V N 0.419 120.404 119.914 0.118 0.000 2.287 203 V HA -0.278 3.843 4.120 0.001 0.000 0.248 203 V C 2.637 178.756 176.094 0.042 0.000 1.053 203 V CA 1.984 64.324 62.300 0.066 0.000 1.027 203 V CB -1.731 30.112 31.823 0.033 0.000 0.646 203 V HN 0.683 nan 8.190 nan 0.000 0.447 204 G N -0.588 108.238 108.800 0.042 0.000 2.446 204 G HA2 -0.227 3.734 3.960 0.001 0.000 0.217 204 G HA3 -0.227 3.734 3.960 0.001 0.000 0.217 204 G C 1.482 176.393 174.900 0.018 0.000 1.168 204 G CA 0.762 45.876 45.100 0.024 0.000 0.771 204 G HN 0.490 nan 8.290 nan 0.000 0.551 205 E N 0.445 120.663 120.200 0.030 0.000 2.072 205 E HA -0.041 4.310 4.350 0.001 0.000 0.191 205 E C 2.815 179.422 176.600 0.011 0.000 0.985 205 E CA 0.463 56.872 56.400 0.014 0.000 0.801 205 E CB -0.229 29.473 29.700 0.004 0.000 0.750 205 E HN 0.200 nan 8.360 nan 0.000 0.452 206 R N 0.757 121.274 120.500 0.027 0.000 2.066 206 R HA -0.044 4.296 4.340 0.001 0.000 0.232 206 R C 2.521 178.810 176.300 -0.017 0.000 1.131 206 R CA 1.504 57.624 56.100 0.033 0.000 0.955 206 R CB -1.099 29.244 30.300 0.071 0.000 0.851 206 R HN 0.258 nan 8.270 nan 0.000 0.432 207 S N 0.835 116.524 115.700 -0.019 0.000 2.423 207 S HA -0.075 4.395 4.470 0.001 0.000 0.231 207 S C 1.816 176.371 174.600 -0.076 0.000 1.014 207 S CA 0.879 59.048 58.200 -0.051 0.000 0.965 207 S CB -0.055 63.128 63.200 -0.028 0.000 0.785 207 S HN 0.253 nan 8.310 nan 0.000 0.495 208 K N 0.930 121.298 120.400 -0.054 0.000 2.031 208 K HA 0.137 4.458 4.320 0.001 0.000 0.205 208 K C 2.194 178.740 176.600 -0.090 0.000 1.049 208 K CA 1.104 57.355 56.287 -0.061 0.000 0.939 208 K CB -0.468 32.011 32.500 -0.036 0.000 0.717 208 K HN 0.320 nan 8.250 nan 0.000 0.438 209 L N 1.434 122.608 121.223 -0.082 0.000 1.989 209 L HA -0.212 4.128 4.340 0.001 0.000 0.211 209 L C 2.251 178.989 176.870 -0.219 0.000 1.071 209 L CA 1.541 56.321 54.840 -0.100 0.000 0.749 209 L CB -0.231 41.800 42.059 -0.046 0.000 0.890 209 L HN 0.200 nan 8.230 nan 0.000 0.431 210 I N -0.219 120.166 120.570 -0.308 0.000 2.226 210 I HA -0.357 3.814 4.170 0.001 0.000 0.245 210 I C 2.499 178.314 176.117 -0.503 0.000 1.100 210 I CA 1.176 62.096 61.300 -0.633 0.000 1.374 210 I CB -0.268 37.337 38.000 -0.659 0.000 1.057 210 I HN 0.308 nan 8.210 nan 0.000 0.413 211 L N 0.502 121.553 121.223 -0.286 0.000 2.083 211 L HA -0.221 4.119 4.340 0.001 0.000 0.209 211 L C 2.502 179.263 176.870 -0.181 0.000 1.083 211 L CA 1.497 56.222 54.840 -0.191 0.000 0.752 211 L CB -0.500 41.489 42.059 -0.116 0.000 0.899 211 L HN 0.204 nan 8.230 nan 0.000 0.433 212 K N -0.976 119.312 120.400 -0.186 0.000 2.148 212 K HA -0.113 4.208 4.320 0.001 0.000 0.204 212 K C 2.177 178.683 176.600 -0.157 0.000 1.050 212 K CA 1.251 57.433 56.287 -0.174 0.000 0.942 212 K CB -0.192 32.235 32.500 -0.121 0.000 0.724 212 K HN 0.360 nan 8.250 nan 0.000 0.446 213 C N 0.676 119.856 119.300 -0.200 0.000 2.476 213 C HA -0.000 4.460 4.460 0.001 0.000 0.278 213 C C 2.474 177.458 174.990 -0.010 0.000 1.274 213 C CA 0.395 59.319 59.018 -0.157 0.000 1.713 213 C CB -0.385 27.028 27.740 -0.545 0.000 2.039 213 C HN 0.465 nan 8.230 nan 0.000 0.484 214 M N 1.280 120.793 119.600 -0.144 0.000 2.446 214 M HA -0.045 4.435 4.480 0.001 0.000 0.263 214 M C 2.319 178.656 176.300 0.063 0.000 1.066 214 M CA 1.327 56.593 55.300 -0.056 0.000 1.087 214 M CB -1.508 31.002 32.600 -0.151 0.000 1.406 214 M HN 0.454 nan 8.290 nan 0.000 0.459 215 A N -0.433 122.361 122.820 -0.044 0.000 2.019 215 A HA -0.131 4.190 4.320 0.001 0.000 0.219 215 A C 1.845 179.360 177.584 -0.115 0.000 1.164 215 A CA 1.169 53.135 52.037 -0.118 0.000 0.644 215 A CB -0.892 17.939 19.000 -0.283 0.000 0.805 215 A HN 0.374 nan 8.150 nan 0.000 0.449 216 F N -0.317 119.657 119.950 0.040 0.000 2.365 216 F HA 0.014 4.542 4.527 0.001 0.000 0.300 216 F C 1.830 177.759 175.800 0.215 0.000 1.090 216 F CA 1.035 59.094 58.000 0.099 0.000 1.408 216 F CB -0.101 38.946 39.000 0.080 0.000 1.060 216 F HN 0.119 nan 8.300 nan 0.000 0.534 217 L N -1.329 120.131 121.223 0.396 0.000 2.515 217 L HA 0.066 4.406 4.340 0.001 0.000 0.223 217 L C 2.207 179.340 176.870 0.439 0.000 1.079 217 L CA 0.237 55.363 54.840 0.478 0.000 0.857 217 L CB -0.439 41.889 42.059 0.447 0.000 1.050 217 L HN -0.046 nan 8.230 nan 0.000 0.476 218 E N 1.710 122.111 120.200 0.335 0.000 2.086 218 E HA -0.212 4.139 4.350 0.001 0.000 0.200 218 E C -0.589 176.017 176.600 0.009 0.000 1.012 218 E CA 2.075 58.577 56.400 0.170 0.000 0.812 218 E CB -1.107 28.651 29.700 0.097 0.000 0.743 218 E HN 0.244 nan 8.360 nan 0.000 0.453 219 P HA -0.142 nan 4.420 nan 0.000 0.212 219 P C 0.837 177.982 177.300 -0.258 0.000 1.178 219 P CA 1.527 64.453 63.100 -0.291 0.000 0.915 219 P CB -0.254 31.099 31.700 -0.579 0.000 0.788 220 F N -1.144 118.838 119.950 0.054 0.000 2.724 220 F HA 0.104 4.631 4.527 0.001 0.000 0.297 220 F C 1.440 177.260 175.800 0.033 0.000 1.200 220 F CA 0.133 58.160 58.000 0.045 0.000 1.468 220 F CB -1.180 37.867 39.000 0.078 0.000 1.116 220 F HN -0.096 nan 8.300 nan 0.000 0.599 235 G N 1.695 110.615 108.800 0.200 0.000 2.379 235 G HA2 -0.289 3.671 3.960 0.001 0.000 0.297 235 G HA3 -0.289 3.671 3.960 0.001 0.000 0.297 235 G C 0.403 175.383 174.900 0.134 0.000 1.004 235 G CA 1.179 46.381 45.100 0.170 0.000 0.921 235 G HN 0.533 nan 8.290 nan 0.000 0.511 236 S N -1.328 114.450 115.700 0.130 0.000 2.505 236 S HA 0.391 4.861 4.470 0.001 0.000 0.216 236 S C 1.582 176.225 174.600 0.070 0.000 1.018 236 S CA 1.088 59.333 58.200 0.075 0.000 0.911 236 S CB 0.013 63.238 63.200 0.041 0.000 0.818 236 S HN 0.997 nan 8.310 nan 0.000 0.497 237 S N 0.315 116.076 115.700 0.102 0.000 2.569 237 S HA 0.329 4.799 4.470 0.001 0.000 0.274 237 S C 1.298 175.991 174.600 0.156 0.000 1.353 237 S CA 0.352 58.599 58.200 0.078 0.000 1.023 237 S CB 0.797 64.079 63.200 0.135 0.000 0.876 237 S HN 0.496 nan 8.310 nan 0.000 0.540 238 G N 2.529 111.420 108.800 0.152 0.000 2.985 238 G HA2 0.002 3.962 3.960 0.001 0.000 0.209 238 G HA3 0.002 3.962 3.960 0.001 0.000 0.209 238 G C 1.024 176.087 174.900 0.271 0.000 1.165 238 G CA 0.159 45.386 45.100 0.212 0.000 0.776 238 G HN 0.659 nan 8.290 nan 0.000 0.541 239 M N 0.948 120.720 119.600 0.287 0.000 2.394 239 M HA 0.095 4.576 4.480 0.001 0.000 0.264 239 M C 2.040 178.554 176.300 0.357 0.000 1.073 239 M CA 0.778 56.275 55.300 0.327 0.000 1.111 239 M CB -0.262 32.563 32.600 0.375 0.000 1.401 239 M HN 0.084 nan 8.290 nan 0.000 0.448 240 N N -0.727 118.153 118.700 0.300 0.000 2.080 240 N HA -0.093 4.647 4.740 0.001 0.000 0.189 240 N C 1.694 177.345 175.510 0.234 0.000 1.036 240 N CA 1.811 55.008 53.050 0.245 0.000 0.846 240 N CB -0.587 38.018 38.487 0.196 0.000 1.015 240 N HN 0.334 nan 8.380 nan 0.000 0.423 241 S N 0.678 116.515 115.700 0.229 0.000 2.356 241 S HA -0.135 4.336 4.470 0.001 0.000 0.223 241 S C 1.851 176.611 174.600 0.267 0.000 1.032 241 S CA 0.650 58.975 58.200 0.209 0.000 1.005 241 S CB -0.569 62.740 63.200 0.181 0.000 0.867 241 S HN 0.394 nan 8.310 nan 0.000 0.449 242 Y N 2.498 122.930 120.300 0.219 0.000 2.139 242 Y HA -0.270 4.281 4.550 0.001 0.000 0.282 242 Y C 2.596 178.651 175.900 0.258 0.000 1.179 242 Y CA 2.009 60.259 58.100 0.250 0.000 1.161 242 Y CB -0.786 37.831 38.460 0.263 0.000 0.970 242 Y HN 0.194 nan 8.280 nan 0.000 0.511 243 T N -0.212 114.604 114.554 0.436 0.000 2.737 243 T HA -0.211 4.139 4.350 0.001 0.000 0.265 243 T C 1.733 176.520 174.700 0.145 0.000 1.038 243 T CA 1.536 63.818 62.100 0.303 0.000 1.144 243 T CB -0.306 68.744 68.868 0.303 0.000 0.866 243 T HN 0.474 nan 8.240 nan 0.000 0.434 244 E N 0.707 120.992 120.200 0.142 0.000 2.077 244 E HA -0.145 4.206 4.350 0.001 0.000 0.193 244 E C 2.374 179.021 176.600 0.079 0.000 0.989 244 E CA 1.022 57.472 56.400 0.083 0.000 0.800 244 E CB -0.164 29.584 29.700 0.081 0.000 0.746 244 E HN 0.464 nan 8.360 nan 0.000 0.452 245 A N 1.117 124.017 122.820 0.134 0.000 1.877 245 A HA -0.179 4.142 4.320 0.001 0.000 0.216 245 A C 2.137 179.856 177.584 0.225 0.000 1.186 245 A CA 1.320 53.486 52.037 0.215 0.000 0.620 245 A CB -0.727 18.388 19.000 0.192 0.000 0.822 245 A HN 0.376 nan 8.150 nan 0.000 0.443 246 L N -0.099 121.199 121.223 0.124 0.000 2.079 246 L HA -0.130 4.210 4.340 0.001 0.000 0.210 246 L C 2.202 179.140 176.870 0.113 0.000 1.081 246 L CA 1.661 56.577 54.840 0.126 0.000 0.752 246 L CB -0.526 41.520 42.059 -0.022 0.000 0.896 246 L HN 0.415 nan 8.230 nan 0.000 0.433 247 L N -1.053 120.196 121.223 0.043 0.000 2.093 247 L HA -0.073 4.268 4.340 0.001 0.000 0.208 247 L C 2.503 179.356 176.870 -0.027 0.000 1.085 247 L CA 1.091 55.930 54.840 -0.000 0.000 0.755 247 L CB -1.308 40.738 42.059 -0.022 0.000 0.904 247 L HN 0.438 nan 8.230 nan 0.000 0.435 248 G N -0.458 108.290 108.800 -0.087 0.000 2.402 248 G HA2 -0.234 3.727 3.960 0.001 0.000 0.216 248 G HA3 -0.234 3.727 3.960 0.001 0.000 0.216 248 G C 1.346 176.187 174.900 -0.097 0.000 1.162 248 G CA 0.304 45.232 45.100 -0.287 0.000 0.777 248 G HN 0.156 nan 8.290 nan 0.000 0.539 249 F N 0.758 120.837 119.950 0.214 0.000 2.186 249 F HA 0.157 4.684 4.527 0.001 0.000 0.299 249 F C 2.558 178.417 175.800 0.099 0.000 1.090 249 F CA 0.354 58.477 58.000 0.204 0.000 1.307 249 F CB -0.275 38.814 39.000 0.148 0.000 1.019 249 F HN 0.054 nan 8.300 nan 0.000 0.489 250 I N -0.463 120.243 120.570 0.226 0.000 2.179 250 I HA -0.307 3.864 4.170 0.001 0.000 0.242 250 I C 2.592 178.762 176.117 0.088 0.000 1.088 250 I CA 1.245 62.621 61.300 0.127 0.000 1.357 250 I CB -0.669 37.371 38.000 0.066 0.000 1.051 250 I HN 0.084 nan 8.210 nan 0.000 0.409 251 A N 0.763 123.608 122.820 0.043 0.000 1.902 251 A HA -0.224 4.096 4.320 0.001 0.000 0.217 251 A C 1.996 179.584 177.584 0.007 0.000 1.181 251 A CA 2.101 54.136 52.037 -0.003 0.000 0.623 251 A CB -0.969 17.992 19.000 -0.065 0.000 0.818 251 A HN 0.521 nan 8.150 nan 0.000 0.443 252 N N -0.820 117.905 118.700 0.041 0.000 2.300 252 N HA -0.093 4.648 4.740 0.001 0.000 0.179 252 N C 1.462 177.087 175.510 0.190 0.000 1.016 252 N CA 0.734 53.827 53.050 0.073 0.000 0.876 252 N CB -0.032 38.536 38.487 0.135 0.000 0.979 252 N HN 0.315 nan 8.380 nan 0.000 0.432 253 E N 1.329 121.656 120.200 0.211 0.000 2.152 253 E HA -0.135 4.215 4.350 0.001 0.000 0.192 253 E C 1.789 178.491 176.600 0.169 0.000 0.983 253 E CA 0.881 57.409 56.400 0.214 0.000 0.818 253 E CB -0.006 29.803 29.700 0.182 0.000 0.758 253 E HN 0.169 nan 8.360 nan 0.000 0.467 254 K N 0.806 121.278 120.400 0.119 0.000 2.057 254 K HA -0.015 4.305 4.320 0.001 0.000 0.207 254 K C 2.081 178.737 176.600 0.094 0.000 1.049 254 K CA 1.548 57.887 56.287 0.088 0.000 0.931 254 K CB -0.366 32.163 32.500 0.048 0.000 0.714 254 K HN -0.092 nan 8.250 nan 0.000 0.440 255 S N 0.623 116.371 115.700 0.080 0.000 2.368 255 S HA -0.093 4.377 4.470 0.001 0.000 0.224 255 S C 1.648 176.366 174.600 0.198 0.000 1.029 255 S CA 1.085 59.326 58.200 0.068 0.000 0.988 255 S CB -0.406 62.752 63.200 -0.071 0.000 0.838 255 S HN 0.311 nan 8.310 nan 0.000 0.462 256 L N 1.991 123.397 121.223 0.305 0.000 1.994 256 L HA -0.051 4.289 4.340 0.001 0.000 0.208 256 L C 2.248 179.272 176.870 0.257 0.000 1.071 256 L CA 1.678 56.743 54.840 0.376 0.000 0.745 256 L CB -0.831 41.457 42.059 0.380 0.000 0.892 256 L HN 0.124 nan 8.230 nan 0.000 0.431 257 V N -0.028 120.030 119.914 0.239 0.000 2.332 257 V HA -0.307 3.813 4.120 0.001 0.000 0.248 257 V C 2.258 178.511 176.094 0.265 0.000 1.055 257 V CA 1.998 64.468 62.300 0.283 0.000 1.038 257 V CB -0.827 31.131 31.823 0.226 0.000 0.651 257 V HN 0.477 nan 8.190 nan 0.000 0.450 258 D N -0.221 120.283 120.400 0.173 0.000 2.144 258 D HA -0.142 4.498 4.640 0.001 0.000 0.199 258 D C 1.906 178.281 176.300 0.126 0.000 0.984 258 D CA 1.194 55.266 54.000 0.121 0.000 0.834 258 D CB -0.271 40.569 40.800 0.067 0.000 0.955 258 D HN 0.411 nan 8.370 nan 0.000 0.465 259 D N -0.278 120.213 120.400 0.152 0.000 2.183 259 D HA -0.007 4.634 4.640 0.001 0.000 0.203 259 D C 2.211 178.566 176.300 0.092 0.000 0.969 259 D CA 0.281 54.365 54.000 0.139 0.000 0.842 259 D CB -0.010 40.920 40.800 0.217 0.000 0.957 259 D HN 0.229 nan 8.370 nan 0.000 0.484 260 L N -0.861 120.404 121.223 0.070 0.000 2.240 260 L HA -0.029 4.312 4.340 0.001 0.000 0.211 260 L C 0.422 177.137 176.870 -0.258 0.000 1.106 260 L CA 0.628 55.406 54.840 -0.104 0.000 0.793 260 L CB -0.037 41.906 42.059 -0.193 0.000 0.927 260 L HN -0.006 nan 8.230 nan 0.000 0.446 261 Y N -1.379 118.955 120.300 0.057 0.000 2.650 261 Y HA 0.321 4.872 4.550 0.001 0.000 0.331 261 Y C 0.893 176.798 175.900 0.008 0.000 1.082 261 Y CA -0.928 57.185 58.100 0.022 0.000 1.171 261 Y CB 1.031 39.492 38.460 0.003 0.000 1.326 261 Y HN -0.269 nan 8.280 nan 0.000 0.513 262 S N 0.248 116.063 115.700 0.192 0.000 2.593 262 S HA -0.043 4.427 4.470 0.001 0.000 0.269 262 S C 1.196 175.820 174.600 0.040 0.000 1.334 262 S CA -0.510 57.748 58.200 0.096 0.000 1.015 262 S CB 0.964 64.220 63.200 0.093 0.000 0.912 262 S HN 0.781 nan 8.310 nan 0.000 0.541 263 Q N 0.408 120.174 119.800 -0.057 0.000 2.112 263 Q HA -0.202 4.139 4.340 0.001 0.000 0.206 263 Q C 0.110 175.825 176.000 -0.474 0.000 0.987 263 Q CA 1.918 57.538 55.803 -0.305 0.000 0.858 263 Q CB -0.109 28.340 28.738 -0.482 0.000 0.905 263 Q HN 0.829 nan 8.270 nan 0.000 0.420 264 Y N -0.288 120.028 120.300 0.026 0.000 2.681 264 Y HA 0.272 4.823 4.550 0.001 0.000 0.267 264 Y C -0.097 175.796 175.900 -0.012 0.000 1.166 264 Y CA -0.411 57.693 58.100 0.006 0.000 1.209 264 Y CB 0.584 39.045 38.460 0.003 0.000 1.161 264 Y HN -0.156 nan 8.280 nan 0.000 0.534 265 T N 2.168 116.761 114.554 0.065 0.000 2.866 265 T HA -0.119 4.232 4.350 0.001 0.000 0.293 265 T C 1.530 176.202 174.700 -0.047 0.000 1.005 265 T CA 0.280 62.376 62.100 -0.006 0.000 1.162 265 T CB 0.649 69.479 68.868 -0.064 0.000 0.968 265 T HN 0.465 nan 8.240 nan 0.000 0.530 266 E N 2.994 123.172 120.200 -0.035 0.000 2.085 266 E HA -0.187 4.163 4.350 0.001 0.000 0.194 266 E C 1.989 178.553 176.600 -0.061 0.000 0.994 266 E CA 1.900 58.281 56.400 -0.033 0.000 0.801 266 E CB -0.174 29.512 29.700 -0.024 0.000 0.743 266 E HN 0.735 nan 8.360 nan 0.000 0.453 267 S N -0.229 115.401 115.700 -0.116 0.000 2.607 267 S HA 0.034 4.504 4.470 0.001 0.000 0.224 267 S C 1.642 176.156 174.600 -0.144 0.000 0.969 267 S CA 0.238 58.383 58.200 -0.092 0.000 0.927 267 S CB 0.020 63.172 63.200 -0.080 0.000 0.772 267 S HN 0.174 nan 8.310 nan 0.000 0.533 268 K N 2.274 122.540 120.400 -0.223 0.000 2.001 268 K HA -0.090 4.231 4.320 0.001 0.000 0.214 268 K C -0.623 175.948 176.600 -0.049 0.000 1.050 268 K CA 1.932 58.108 56.287 -0.186 0.000 0.934 268 K CB -1.290 31.142 32.500 -0.114 0.000 0.718 268 K HN 0.391 nan 8.250 nan 0.000 0.443 269 P HA -0.201 nan 4.420 nan 0.000 0.218 269 P C 1.014 178.351 177.300 0.061 0.000 1.149 269 P CA 1.634 64.749 63.100 0.024 0.000 0.817 269 P CB -0.005 31.709 31.700 0.023 0.000 0.785 270 H N 0.557 119.609 119.070 -0.030 0.000 2.326 270 H HA -0.073 4.483 4.556 0.000 0.000 0.301 270 H C 1.811 177.143 175.328 0.006 0.000 1.081 270 H CA 1.471 57.512 56.048 -0.011 0.000 1.334 270 H CB -0.899 28.853 29.762 -0.017 0.000 1.385 270 H HN -0.222 nan 8.280 nan 0.000 0.504 271 V N 0.525 120.392 119.914 -0.080 0.000 2.255 271 V HA -0.241 3.879 4.120 0.001 0.000 0.247 271 V C 2.666 178.737 176.094 -0.039 0.000 1.051 271 V CA 1.786 64.037 62.300 -0.082 0.000 1.018 271 V CB -0.878 30.959 31.823 0.023 0.000 0.641 271 V HN 0.388 nan 8.190 nan 0.000 0.445 272 L N 0.160 121.387 121.223 0.007 0.000 2.079 272 L HA -0.156 4.184 4.340 0.001 0.000 0.210 272 L C 2.649 179.525 176.870 0.010 0.000 1.081 272 L CA 2.422 57.282 54.840 0.033 0.000 0.752 272 L CB -0.792 41.294 42.059 0.046 0.000 0.896 272 L HN 0.370 nan 8.230 nan 0.000 0.433 273 S N -1.113 114.579 115.700 -0.012 0.000 2.348 273 S HA -0.269 4.201 4.470 0.001 0.000 0.221 273 S C 1.971 176.553 174.600 -0.031 0.000 1.033 273 S CA 1.652 59.849 58.200 -0.006 0.000 1.010 273 S CB -0.292 62.918 63.200 0.016 0.000 0.891 273 S HN 0.679 nan 8.310 nan 0.000 0.442 274 Q N -0.140 119.594 119.800 -0.111 0.000 2.234 274 Q HA -0.046 4.294 4.340 0.001 0.000 0.206 274 Q C 2.095 178.073 176.000 -0.038 0.000 0.980 274 Q CA 1.583 57.324 55.803 -0.102 0.000 0.869 274 Q CB -0.219 28.400 28.738 -0.199 0.000 0.912 274 Q HN 0.627 nan 8.270 nan 0.000 0.436 275 I N -0.269 120.291 120.570 -0.016 0.000 2.480 275 I HA -0.190 3.981 4.170 0.001 0.000 0.251 275 I C 1.849 177.974 176.117 0.013 0.000 1.124 275 I CA 0.701 62.006 61.300 0.009 0.000 1.444 275 I CB 0.060 38.083 38.000 0.038 0.000 1.098 275 I HN 0.166 nan 8.210 nan 0.000 0.428 276 L N -0.502 120.735 121.223 0.024 0.000 2.270 276 L HA -0.040 4.300 4.340 0.001 0.000 0.210 276 L C 2.592 179.486 176.870 0.039 0.000 1.104 276 L CA 0.521 55.382 54.840 0.035 0.000 0.804 276 L CB -0.473 41.615 42.059 0.048 0.000 0.937 276 L HN 0.115 nan 8.230 nan 0.000 0.450 277 S N 0.557 116.278 115.700 0.036 0.000 2.365 277 S HA -0.121 4.350 4.470 0.001 0.000 0.225 277 S C -0.443 174.186 174.600 0.049 0.000 1.039 277 S CA 1.635 59.864 58.200 0.047 0.000 1.033 277 S CB -1.047 62.178 63.200 0.041 0.000 0.887 277 S HN 0.283 nan 8.310 nan 0.000 0.447 278 P HA -0.044 nan 4.420 nan 0.000 0.215 278 P C 1.321 178.651 177.300 0.049 0.000 1.153 278 P CA 0.887 64.006 63.100 0.031 0.000 0.853 278 P CB -0.144 31.561 31.700 0.009 0.000 0.788 279 L N -1.591 119.657 121.223 0.042 0.000 2.083 279 L HA -0.162 4.178 4.340 0.001 0.000 0.209 279 L C 2.517 179.471 176.870 0.141 0.000 1.083 279 L CA 1.242 56.120 54.840 0.064 0.000 0.752 279 L CB -1.189 40.883 42.059 0.021 0.000 0.899 279 L HN -0.068 nan 8.230 nan 0.000 0.433 280 I N -0.983 119.658 120.570 0.119 0.000 2.163 280 I HA -0.253 3.917 4.170 0.001 0.000 0.240 280 I C 2.902 179.132 176.117 0.189 0.000 1.081 280 I CA 1.508 62.902 61.300 0.157 0.000 1.353 280 I CB -0.970 37.093 38.000 0.104 0.000 1.054 280 I HN 0.394 nan 8.210 nan 0.000 0.407 281 S N 0.199 115.973 115.700 0.124 0.000 2.374 281 S HA -0.264 4.207 4.470 0.001 0.000 0.227 281 S C 2.250 176.918 174.600 0.114 0.000 1.037 281 S CA 1.829 60.088 58.200 0.098 0.000 1.024 281 S CB -0.539 62.700 63.200 0.065 0.000 0.861 281 S HN 0.647 nan 8.310 nan 0.000 0.456 282 A N -0.204 122.700 122.820 0.140 0.000 1.933 282 A HA -0.062 4.258 4.320 0.001 0.000 0.218 282 A C 2.015 179.724 177.584 0.209 0.000 1.175 282 A CA 1.727 53.858 52.037 0.156 0.000 0.628 282 A CB -1.064 18.046 19.000 0.184 0.000 0.814 282 A HN 0.790 nan 8.150 nan 0.000 0.444 283 Y N 0.453 120.862 120.300 0.181 0.000 2.133 283 Y HA 0.012 4.563 4.550 0.001 0.000 0.287 283 Y C 2.636 178.614 175.900 0.130 0.000 1.134 283 Y CA 1.285 59.515 58.100 0.217 0.000 1.133 283 Y CB -0.642 37.967 38.460 0.249 0.000 0.987 283 Y HN 0.280 nan 8.280 nan 0.000 0.502 284 A N 0.549 123.431 122.820 0.104 0.000 1.940 284 A HA -0.255 4.066 4.320 0.001 0.000 0.219 284 A C 2.291 179.878 177.584 0.004 0.000 1.176 284 A CA 2.104 54.141 52.037 -0.001 0.000 0.631 284 A CB -0.825 18.213 19.000 0.064 0.000 0.814 284 A HN 0.579 nan 8.150 nan 0.000 0.446 285 K N -0.490 119.913 120.400 0.005 0.000 2.025 285 K HA 0.005 4.325 4.320 0.001 0.000 0.207 285 K C 1.963 178.530 176.600 -0.056 0.000 1.049 285 K CA 1.248 57.528 56.287 -0.011 0.000 0.933 285 K CB -0.296 32.201 32.500 -0.004 0.000 0.714 285 K HN 0.442 nan 8.250 nan 0.000 0.438 286 L N 0.480 121.637 121.223 -0.111 0.000 2.083 286 L HA -0.143 4.197 4.340 0.001 0.000 0.209 286 L C 2.187 178.950 176.870 -0.179 0.000 1.083 286 L CA 1.133 55.862 54.840 -0.184 0.000 0.752 286 L CB -0.253 41.606 42.059 -0.334 0.000 0.899 286 L HN 0.256 nan 8.230 nan 0.000 0.433 287 F N 0.349 120.071 119.950 -0.381 0.000 2.134 287 F HA -0.113 4.414 4.527 0.000 0.000 0.299 287 F C 2.166 177.854 175.800 -0.187 0.000 1.097 287 F CA 1.643 59.429 58.000 -0.357 0.000 1.264 287 F CB -0.517 38.170 39.000 -0.522 0.000 1.001 287 F HN 0.046 nan 8.300 nan 0.000 0.479 288 G N -0.568 108.232 108.800 -0.001 0.000 2.443 288 G HA2 -0.144 3.817 3.960 0.001 0.000 0.219 288 G HA3 -0.144 3.817 3.960 0.001 0.000 0.219 288 G C 1.786 176.618 174.900 -0.113 0.000 1.131 288 G CA 0.636 45.711 45.100 -0.040 0.000 0.775 288 G HN 0.582 nan 8.290 nan 0.000 0.547 289 A N 1.651 124.400 122.820 -0.117 0.000 1.858 289 A HA -0.091 4.229 4.320 0.001 0.000 0.216 289 A C 2.218 179.721 177.584 -0.135 0.000 1.190 289 A CA 1.977 53.946 52.037 -0.114 0.000 0.617 289 A CB -0.538 18.396 19.000 -0.110 0.000 0.827 289 A HN 0.395 nan 8.150 nan 0.000 0.443 290 N N -0.369 118.230 118.700 -0.168 0.000 2.188 290 N HA -0.087 4.653 4.740 0.001 0.000 0.184 290 N C 1.346 176.758 175.510 -0.164 0.000 1.018 290 N CA 1.082 54.055 53.050 -0.129 0.000 0.858 290 N CB -0.304 38.166 38.487 -0.029 0.000 0.989 290 N HN 0.361 nan 8.380 nan 0.000 0.426 291 L N 0.767 121.819 121.223 -0.285 0.000 2.362 291 L HA 0.002 4.343 4.340 0.001 0.000 0.219 291 L C 1.271 178.054 176.870 -0.144 0.000 1.134 291 L CA 1.561 56.245 54.840 -0.259 0.000 0.807 291 L CB -0.108 41.758 42.059 -0.321 0.000 0.927 291 L HN 0.066 nan 8.230 nan 0.000 0.447 292 K N -1.052 119.275 120.400 -0.122 0.000 2.244 292 K HA 0.123 4.443 4.320 0.001 0.000 0.200 292 K C 1.768 178.316 176.600 -0.086 0.000 1.052 292 K CA 0.494 56.729 56.287 -0.087 0.000 0.980 292 K CB 0.109 32.565 32.500 -0.074 0.000 0.838 292 K HN 0.198 nan 8.250 nan 0.000 0.481 293 I N 2.232 122.743 120.570 -0.098 0.000 3.294 293 I HA -0.101 4.069 4.170 0.001 0.000 0.287 293 I C -0.384 175.671 176.117 -0.103 0.000 1.328 293 I CA 0.450 61.688 61.300 -0.103 0.000 1.375 293 I CB 0.188 38.114 38.000 -0.124 0.000 1.045 293 I HN -0.167 nan 8.210 nan 0.000 0.522 294 V N 3.287 123.147 119.914 -0.091 0.000 2.287 294 V HA 0.258 4.378 4.120 0.001 0.000 0.246 294 V C 0.356 176.408 176.094 -0.071 0.000 1.165 294 V CA 0.224 62.472 62.300 -0.086 0.000 1.088 294 V CB -0.570 31.200 31.823 -0.088 0.000 1.242 294 V HN 0.341 nan 8.190 nan 0.000 0.497 302 G N -0.948 107.753 108.800 -0.166 0.000 3.845 302 G HA2 -0.063 3.897 3.960 0.001 0.000 0.198 302 G HA3 -0.063 3.897 3.960 0.001 0.000 0.198 302 G C 0.780 175.416 174.900 -0.439 0.000 0.890 302 G CA -0.041 44.853 45.100 -0.343 0.000 0.885 302 G HN 0.150 nan 8.290 nan 0.000 0.407 303 F N 0.824 120.542 119.950 -0.387 0.000 2.699 303 F HA 0.229 4.757 4.527 0.002 0.000 0.298 303 F C 2.044 177.584 175.800 -0.434 0.000 1.154 303 F CA 0.236 57.816 58.000 -0.700 0.000 1.457 303 F CB 0.019 38.475 39.000 -0.906 0.000 1.106 303 F HN 0.181 nan 8.300 nan 0.000 0.585 304 F N 1.563 121.422 119.950 -0.152 0.000 2.269 304 F HA -0.217 4.310 4.527 -0.000 0.000 0.301 304 F C 2.589 178.345 175.800 -0.073 0.000 1.082 304 F CA 1.092 59.066 58.000 -0.044 0.000 1.360 304 F CB -0.740 38.214 39.000 -0.076 0.000 1.041 304 F HN -0.044 nan 8.300 nan 0.000 0.512 305 S N -0.028 115.498 115.700 -0.289 0.000 2.400 305 S HA -0.262 4.209 4.470 0.001 0.000 0.232 305 S C 2.012 176.475 174.600 -0.229 0.000 1.025 305 S CA 1.306 59.294 58.200 -0.352 0.000 0.993 305 S CB -1.464 61.518 63.200 -0.362 0.000 0.808 305 S HN 0.285 nan 8.310 nan 0.000 0.478 306 F N 2.366 122.261 119.950 -0.092 0.000 2.171 306 F HA 0.060 4.588 4.527 0.002 0.000 0.300 306 F C 2.610 178.410 175.800 0.000 0.000 1.090 306 F CA 0.869 58.869 58.000 -0.001 0.000 1.293 306 F CB -0.787 38.249 39.000 0.060 0.000 1.013 306 F HN 0.333 nan 8.300 nan 0.000 0.486 307 E N -0.185 120.073 120.200 0.096 0.000 2.216 307 E HA -0.089 4.262 4.350 0.001 0.000 0.192 307 E C 2.278 178.809 176.600 -0.115 0.000 0.988 307 E CA 0.533 56.936 56.400 0.005 0.000 0.834 307 E CB -0.193 29.503 29.700 -0.006 0.000 0.772 307 E HN 0.387 nan 8.360 nan 0.000 0.479 308 L N 0.420 121.464 121.223 -0.299 0.000 2.072 308 L HA -0.120 4.221 4.340 0.001 0.000 0.205 308 L C 2.408 179.400 176.870 0.203 0.000 1.079 308 L CA 0.512 55.283 54.840 -0.114 0.000 0.752 308 L CB -0.257 41.573 42.059 -0.382 0.000 0.906 308 L HN 0.029 nan 8.230 nan 0.000 0.436 309 V N 0.212 120.210 119.914 0.140 0.000 2.332 309 V HA -0.322 3.798 4.120 0.001 0.000 0.248 309 V C 2.505 178.695 176.094 0.160 0.000 1.055 309 V CA 2.124 64.534 62.300 0.182 0.000 1.038 309 V CB -0.489 31.445 31.823 0.185 0.000 0.651 309 V HN 0.539 nan 8.190 nan 0.000 0.450 310 E N -0.290 119.998 120.200 0.146 0.000 2.110 310 E HA -0.228 4.122 4.350 0.001 0.000 0.193 310 E C 2.399 179.078 176.600 0.132 0.000 0.988 310 E CA 1.442 57.917 56.400 0.125 0.000 0.804 310 E CB -0.133 29.638 29.700 0.119 0.000 0.745 310 E HN 0.543 nan 8.360 nan 0.000 0.458 311 S N 0.277 116.085 115.700 0.180 0.000 2.343 311 S HA -0.177 4.293 4.470 0.001 0.000 0.219 311 S C 2.016 176.734 174.600 0.196 0.000 1.033 311 S CA 1.230 59.573 58.200 0.239 0.000 1.014 311 S CB -0.351 63.081 63.200 0.386 0.000 0.915 311 S HN 0.386 nan 8.310 nan 0.000 0.435 312 I N 2.678 123.363 120.570 0.191 0.000 2.335 312 I HA -0.143 4.027 4.170 0.001 0.000 0.251 312 I C 1.704 177.820 176.117 -0.001 0.000 1.129 312 I CA 1.435 62.743 61.300 0.014 0.000 1.402 312 I CB -0.617 37.265 38.000 -0.197 0.000 1.069 312 I HN 0.275 nan 8.210 nan 0.000 0.424 313 N N 0.845 119.573 118.700 0.046 0.000 2.106 313 N HA -0.164 4.577 4.740 0.001 0.000 0.188 313 N C 1.556 177.084 175.510 0.030 0.000 1.029 313 N CA 1.612 54.688 53.050 0.042 0.000 0.848 313 N CB -0.534 37.991 38.487 0.063 0.000 1.007 313 N HN 0.360 nan 8.380 nan 0.000 0.423 314 D N 0.139 120.559 120.400 0.033 0.000 2.144 314 D HA -0.078 4.562 4.640 0.001 0.000 0.199 314 D C 2.015 178.305 176.300 -0.017 0.000 0.984 314 D CA 0.547 54.557 54.000 0.017 0.000 0.834 314 D CB -0.268 40.550 40.800 0.029 0.000 0.955 314 D HN 0.021 nan 8.370 nan 0.000 0.465 315 V N 1.051 120.926 119.914 -0.064 0.000 2.307 315 V HA -0.202 3.919 4.120 0.001 0.000 0.245 315 V C 2.344 178.413 176.094 -0.042 0.000 1.045 315 V CA 1.430 63.651 62.300 -0.131 0.000 1.024 315 V CB -0.293 31.311 31.823 -0.364 0.000 0.651 315 V HN 0.173 nan 8.190 nan 0.000 0.449 316 K N 0.800 121.196 120.400 -0.007 0.000 2.057 316 K HA -0.238 4.083 4.320 0.001 0.000 0.207 316 K C 2.180 178.844 176.600 0.107 0.000 1.049 316 K CA 1.872 58.217 56.287 0.096 0.000 0.931 316 K CB -0.233 32.313 32.500 0.078 0.000 0.714 316 K HN 0.626 nan 8.250 nan 0.000 0.440 317 K N 0.818 121.251 120.400 0.055 0.000 2.217 317 K HA -0.067 4.253 4.320 0.001 0.000 0.202 317 K C 1.936 178.550 176.600 0.024 0.000 1.051 317 K CA 1.753 58.064 56.287 0.040 0.000 0.952 317 K CB -0.113 32.404 32.500 0.028 0.000 0.736 317 K HN 0.022 nan 8.250 nan 0.000 0.453 318 S N 0.704 116.414 115.700 0.016 0.000 2.461 318 S HA 0.028 4.498 4.470 0.001 0.000 0.228 318 S C 1.621 176.230 174.600 0.014 0.000 1.005 318 S CA 0.335 58.538 58.200 0.005 0.000 0.942 318 S CB -0.348 62.847 63.200 -0.007 0.000 0.776 318 S HN 0.352 nan 8.310 nan 0.000 0.514 319 L N 1.603 122.848 121.223 0.036 0.000 2.628 319 L HA 0.298 4.639 4.340 0.001 0.000 0.229 319 L C 0.896 177.758 176.870 -0.014 0.000 1.137 319 L CA -0.469 54.394 54.840 0.037 0.000 0.909 319 L CB -0.213 41.915 42.059 0.115 0.000 1.137 319 L HN 0.344 nan 8.230 nan 0.000 0.470 320 R N 0.428 120.923 120.500 -0.008 0.000 2.442 320 R HA 0.365 4.706 4.340 0.001 0.000 0.291 320 R C 0.769 177.037 176.300 -0.053 0.000 1.069 320 R CA 0.501 56.576 56.100 -0.042 0.000 1.022 320 R CB 0.230 30.525 30.300 -0.009 0.000 0.976 320 R HN 0.129 nan 8.270 nan 0.000 0.443 321 G N 2.034 110.784 108.800 -0.083 0.000 2.198 321 G HA2 -0.225 3.736 3.960 0.001 0.000 0.257 321 G HA3 -0.225 3.736 3.960 0.001 0.000 0.257 321 G C -0.643 174.224 174.900 -0.055 0.000 1.042 321 G CA 0.052 45.115 45.100 -0.061 0.000 0.791 321 G HN 0.568 nan 8.290 nan 0.000 0.502 322 K N 0.186 120.537 120.400 -0.081 0.000 2.443 322 K HA 0.376 4.697 4.320 0.001 0.000 0.252 322 K C -0.096 176.463 176.600 -0.068 0.000 0.933 322 K CA -0.860 55.396 56.287 -0.052 0.000 0.792 322 K CB 2.034 34.518 32.500 -0.027 0.000 1.185 322 K HN 0.426 nan 8.250 nan 0.000 0.425 323 E N 2.563 122.745 120.200 -0.030 0.000 2.376 323 E HA 0.137 4.488 4.350 0.001 0.000 0.266 323 E C -1.097 175.507 176.600 0.007 0.000 1.009 323 E CA -0.199 56.193 56.400 -0.013 0.000 0.902 323 E CB 0.446 30.160 29.700 0.023 0.000 0.972 323 E HN 0.282 nan 8.360 nan 0.000 0.439 324 L N 4.620 125.851 121.223 0.014 0.000 2.562 324 L HA 0.088 4.428 4.340 0.001 0.000 0.266 324 L C 0.435 177.360 176.870 0.093 0.000 0.949 324 L CA -0.113 54.764 54.840 0.062 0.000 0.879 324 L CB 1.681 43.798 42.059 0.097 0.000 1.278 324 L HN 0.652 nan 8.230 nan 0.000 0.404 325 Q N 1.604 121.458 119.800 0.089 0.000 2.378 325 Q HA 0.022 4.362 4.340 0.001 0.000 0.205 325 Q C 0.221 176.279 176.000 0.098 0.000 0.954 325 Q CA 1.577 57.433 55.803 0.089 0.000 0.901 325 Q CB -0.109 28.675 28.738 0.078 0.000 0.981 325 Q HN 0.814 nan 8.270 nan 0.000 0.483 326 N N -0.759 118.007 118.700 0.110 0.000 2.280 326 N HA -0.002 4.738 4.740 0.001 0.000 0.192 326 N C 0.585 176.167 175.510 0.120 0.000 1.109 326 N CA -0.176 52.934 53.050 0.100 0.000 0.855 326 N CB 0.106 38.644 38.487 0.085 0.000 0.974 326 N HN 0.142 nan 8.380 nan 0.000 0.482 327 Y N 3.492 123.807 120.300 0.025 0.000 2.228 327 Y HA -0.323 4.228 4.550 0.001 0.000 0.285 327 Y C 2.244 178.155 175.900 0.018 0.000 1.178 327 Y CA 1.648 59.759 58.100 0.018 0.000 1.202 327 Y CB -0.307 38.162 38.460 0.015 0.000 0.974 327 Y HN 0.294 nan 8.280 nan 0.000 0.527 328 N N 0.201 118.943 118.700 0.069 0.000 2.205 328 N HA -0.225 4.515 4.740 0.001 0.000 0.186 328 N C 1.753 177.229 175.510 -0.056 0.000 1.015 328 N CA 2.018 55.072 53.050 0.007 0.000 0.862 328 N CB -1.042 37.471 38.487 0.043 0.000 0.986 328 N HN 0.466 nan 8.380 nan 0.000 0.429 329 L N 0.510 121.707 121.223 -0.044 0.000 2.017 329 L HA -0.071 4.270 4.340 0.001 0.000 0.208 329 L C 2.712 179.519 176.870 -0.106 0.000 1.073 329 L CA 0.886 55.701 54.840 -0.042 0.000 0.745 329 L CB -0.536 41.524 42.059 0.002 0.000 0.894 329 L HN 0.072 nan 8.230 nan 0.000 0.432 330 L N -0.629 120.479 121.223 -0.191 0.000 1.989 330 L HA -0.271 4.070 4.340 0.001 0.000 0.211 330 L C 2.775 179.476 176.870 -0.283 0.000 1.071 330 L CA 1.508 56.184 54.840 -0.273 0.000 0.749 330 L CB -0.766 41.046 42.059 -0.411 0.000 0.890 330 L HN 0.362 nan 8.230 nan 0.000 0.431 331 Q N -0.001 119.599 119.800 -0.333 0.000 2.077 331 Q HA -0.246 4.094 4.340 0.001 0.000 0.206 331 Q C 1.917 177.858 176.000 -0.099 0.000 0.989 331 Q CA 1.885 57.563 55.803 -0.207 0.000 0.853 331 Q CB -0.303 28.339 28.738 -0.161 0.000 0.907 331 Q HN 0.545 nan 8.270 nan 0.000 0.418 332 D N 0.266 120.622 120.400 -0.073 0.000 2.104 332 D HA -0.161 4.479 4.640 0.001 0.000 0.194 332 D C 2.046 178.348 176.300 0.003 0.000 0.994 332 D CA 1.132 55.119 54.000 -0.021 0.000 0.830 332 D CB -0.384 40.412 40.800 -0.007 0.000 0.959 332 D HN 0.310 nan 8.370 nan 0.000 0.452 333 C N 0.847 120.132 119.300 -0.026 0.000 2.413 333 C HA -0.110 4.350 4.460 0.001 0.000 0.276 333 C C 2.956 177.984 174.990 0.064 0.000 1.248 333 C CA 1.052 60.089 59.018 0.032 0.000 1.742 333 C CB -1.007 26.561 27.740 -0.286 0.000 2.017 333 C HN 0.423 nan 8.230 nan 0.000 0.481 334 T N -0.028 114.497 114.554 -0.049 0.000 2.674 334 T HA -0.264 4.086 4.350 0.001 0.000 0.265 334 T C 1.842 176.571 174.700 0.048 0.000 1.039 334 T CA 1.720 63.818 62.100 -0.002 0.000 1.150 334 T CB -0.456 68.385 68.868 -0.045 0.000 0.864 334 T HN 0.658 nan 8.240 nan 0.000 0.427 335 Q N 0.428 120.245 119.800 0.028 0.000 2.234 335 Q HA -0.167 4.173 4.340 0.001 0.000 0.206 335 Q C 2.174 178.205 176.000 0.052 0.000 0.980 335 Q CA 1.416 57.241 55.803 0.037 0.000 0.869 335 Q CB -0.002 28.751 28.738 0.024 0.000 0.912 335 Q HN 0.641 nan 8.270 nan 0.000 0.436 336 E N -0.868 119.375 120.200 0.071 0.000 2.060 336 E HA -0.114 4.237 4.350 0.001 0.000 0.189 336 E C 1.927 178.573 176.600 0.076 0.000 0.974 336 E CA 0.780 57.224 56.400 0.072 0.000 0.808 336 E CB 0.057 29.808 29.700 0.085 0.000 0.768 336 E HN 0.243 nan 8.360 nan 0.000 0.453 337 V N 1.239 121.233 119.914 0.133 0.000 2.490 337 V HA -0.223 3.898 4.120 0.001 0.000 0.250 337 V C 2.154 178.291 176.094 0.071 0.000 1.061 337 V CA 1.778 64.141 62.300 0.105 0.000 1.064 337 V CB -0.359 31.608 31.823 0.240 0.000 0.670 337 V HN 0.235 nan 8.190 nan 0.000 0.461 338 R N -0.792 119.758 120.500 0.084 0.000 2.115 338 R HA -0.124 4.216 4.340 0.001 0.000 0.230 338 R C 2.338 178.679 176.300 0.068 0.000 1.111 338 R CA 1.641 57.788 56.100 0.078 0.000 0.976 338 R CB -0.223 30.119 30.300 0.071 0.000 0.870 338 R HN 0.659 nan 8.270 nan 0.000 0.445 339 Q N -0.118 119.714 119.800 0.054 0.000 2.079 339 Q HA -0.113 4.227 4.340 0.001 0.000 0.200 339 Q C 2.166 178.191 176.000 0.042 0.000 0.974 339 Q CA 1.427 57.258 55.803 0.048 0.000 0.840 339 Q CB -0.009 28.751 28.738 0.036 0.000 0.898 339 Q HN 0.154 nan 8.270 nan 0.000 0.430 340 V N 1.206 121.130 119.914 0.016 0.000 2.307 340 V HA -0.255 3.865 4.120 0.001 0.000 0.245 340 V C 2.650 178.727 176.094 -0.028 0.000 1.045 340 V CA 2.190 64.477 62.300 -0.022 0.000 1.024 340 V CB -1.184 30.599 31.823 -0.066 0.000 0.651 340 V HN 0.611 nan 8.190 nan 0.000 0.449 341 T N -1.635 112.913 114.554 -0.009 0.000 2.867 341 T HA -0.306 4.045 4.350 0.001 0.000 0.268 341 T C 1.833 176.672 174.700 0.231 0.000 1.057 341 T CA 1.832 63.942 62.100 0.017 0.000 1.136 341 T CB -0.350 68.579 68.868 0.101 0.000 0.874 341 T HN 0.538 nan 8.240 nan 0.000 0.466 342 Q N 0.801 120.725 119.800 0.207 0.000 2.119 342 Q HA -0.059 4.281 4.340 0.001 0.000 0.201 342 Q C 2.288 178.451 176.000 0.271 0.000 0.972 342 Q CA 1.477 57.435 55.803 0.259 0.000 0.847 342 Q CB -0.237 28.586 28.738 0.142 0.000 0.903 342 Q HN 0.584 nan 8.270 nan 0.000 0.433 343 S N 0.781 116.577 115.700 0.160 0.000 2.453 343 S HA -0.090 4.381 4.470 0.001 0.000 0.231 343 S C 1.659 176.333 174.600 0.123 0.000 1.005 343 S CA 0.421 58.700 58.200 0.131 0.000 0.949 343 S CB -0.137 63.103 63.200 0.066 0.000 0.774 343 S HN 0.317 nan 8.310 nan 0.000 0.510 344 L N 0.885 122.154 121.223 0.078 0.000 2.079 344 L HA -0.017 4.324 4.340 0.001 0.000 0.210 344 L C 1.616 178.521 176.870 0.058 0.000 1.081 344 L CA 1.765 56.589 54.840 -0.026 0.000 0.752 344 L CB -0.673 41.253 42.059 -0.221 0.000 0.896 344 L HN 0.236 nan 8.230 nan 0.000 0.433 345 F N -0.842 119.187 119.950 0.131 0.000 2.118 345 F HA -0.051 4.476 4.527 -0.000 0.000 0.293 345 F C 2.738 178.649 175.800 0.185 0.000 1.102 345 F CA 1.427 59.396 58.000 -0.050 0.000 1.247 345 F CB -0.599 38.158 39.000 -0.405 0.000 1.017 345 F HN -0.051 nan 8.300 nan 0.000 0.475 346 R N 0.614 121.361 120.500 0.412 0.000 2.105 346 R HA -0.238 4.103 4.340 0.001 0.000 0.239 346 R C 1.850 178.307 176.300 0.262 0.000 1.135 346 R CA 2.190 58.508 56.100 0.363 0.000 0.967 346 R CB -0.596 29.868 30.300 0.273 0.000 0.861 346 R HN 0.289 nan 8.270 nan 0.000 0.442 347 D N -0.297 120.224 120.400 0.201 0.000 2.144 347 D HA -0.111 4.530 4.640 0.001 0.000 0.199 347 D C 1.733 178.123 176.300 0.151 0.000 0.984 347 D CA 1.512 55.596 54.000 0.140 0.000 0.834 347 D CB -0.028 40.822 40.800 0.083 0.000 0.955 347 D HN 0.362 nan 8.370 nan 0.000 0.465 348 A N 0.450 123.396 122.820 0.210 0.000 1.908 348 A HA -0.143 4.178 4.320 0.001 0.000 0.218 348 A C 2.257 179.916 177.584 0.124 0.000 1.181 348 A CA 1.148 53.305 52.037 0.200 0.000 0.627 348 A CB -0.643 18.522 19.000 0.275 0.000 0.818 348 A HN 0.327 nan 8.150 nan 0.000 0.445 349 I N 0.409 121.079 120.570 0.166 0.000 2.202 349 I HA -0.192 3.978 4.170 0.001 0.000 0.242 349 I C 1.785 177.971 176.117 0.115 0.000 1.091 349 I CA 1.763 63.140 61.300 0.129 0.000 1.368 349 I CB -1.572 36.571 38.000 0.238 0.000 1.058 349 I HN 0.274 nan 8.210 nan 0.000 0.410 350 D N 0.210 120.689 120.400 0.131 0.000 2.178 350 D HA -0.174 4.466 4.640 0.001 0.000 0.201 350 D C 2.303 178.644 176.300 0.069 0.000 0.980 350 D CA 0.755 54.816 54.000 0.101 0.000 0.842 350 D CB -0.281 40.580 40.800 0.102 0.000 0.948 350 D HN 0.216 nan 8.370 nan 0.000 0.472 351 R N 0.505 121.044 120.500 0.066 0.000 2.081 351 R HA -0.078 4.262 4.340 0.001 0.000 0.235 351 R C 2.192 178.508 176.300 0.028 0.000 1.131 351 R CA 0.852 56.977 56.100 0.042 0.000 0.960 351 R CB -0.297 30.029 30.300 0.044 0.000 0.856 351 R HN 0.210 nan 8.270 nan 0.000 0.436 352 I N 0.646 121.232 120.570 0.025 0.000 2.179 352 I HA -0.287 3.883 4.170 0.001 0.000 0.242 352 I C 2.311 178.432 176.117 0.007 0.000 1.088 352 I CA 1.223 62.524 61.300 0.002 0.000 1.357 352 I CB -0.238 37.750 38.000 -0.021 0.000 1.051 352 I HN 0.179 nan 8.210 nan 0.000 0.409 353 I N 0.745 121.331 120.570 0.027 0.000 2.264 353 I HA -0.294 3.876 4.170 0.001 0.000 0.248 353 I C 2.455 178.588 176.117 0.027 0.000 1.111 353 I CA 1.532 62.851 61.300 0.032 0.000 1.382 353 I CB -0.374 37.659 38.000 0.056 0.000 1.060 353 I HN 0.213 nan 8.210 nan 0.000 0.418 354 K N 0.482 120.899 120.400 0.028 0.000 2.031 354 K HA -0.085 4.235 4.320 0.001 0.000 0.205 354 K C 2.197 178.806 176.600 0.014 0.000 1.049 354 K CA 0.806 57.106 56.287 0.022 0.000 0.939 354 K CB -0.057 32.457 32.500 0.022 0.000 0.717 354 K HN 0.108 nan 8.250 nan 0.000 0.438 355 K N 0.930 121.335 120.400 0.010 0.000 2.026 355 K HA -0.075 4.245 4.320 0.001 0.000 0.208 355 K C 2.201 178.805 176.600 0.006 0.000 1.048 355 K CA 1.367 57.657 56.287 0.004 0.000 0.929 355 K CB -0.362 32.137 32.500 -0.003 0.000 0.713 355 K HN 0.131 nan 8.250 nan 0.000 0.439 356 A N 1.398 124.220 122.820 0.003 0.000 2.019 356 A HA -0.161 4.159 4.320 0.001 0.000 0.219 356 A C 1.477 179.074 177.584 0.022 0.000 1.164 356 A CA 1.747 53.787 52.037 0.006 0.000 0.644 356 A CB -0.428 18.564 19.000 -0.012 0.000 0.805 356 A HN 0.389 nan 8.150 nan 0.000 0.449 357 N N -0.815 117.897 118.700 0.020 0.000 2.236 357 N HA 0.010 4.750 4.740 0.001 0.000 0.196 357 N C 1.674 177.194 175.510 0.018 0.000 1.114 357 N CA 0.687 53.751 53.050 0.022 0.000 0.859 357 N CB 0.272 38.772 38.487 0.023 0.000 0.982 357 N HN 0.549 nan 8.380 nan 0.000 0.493 358 S N 0.724 116.433 115.700 0.015 0.000 2.354 358 S HA -0.075 4.395 4.470 0.001 0.000 0.219 358 S C 0.826 175.431 174.600 0.009 0.000 1.035 358 S CA 0.580 58.786 58.200 0.011 0.000 1.037 358 S CB -0.345 62.860 63.200 0.008 0.000 0.956 358 S HN 0.034 nan 8.310 nan 0.000 0.428 359 I N 3.456 124.033 120.570 0.011 0.000 2.436 359 I HA 0.139 4.309 4.170 0.001 0.000 0.289 359 I C 1.724 177.843 176.117 0.003 0.000 1.083 359 I CA -0.096 61.208 61.300 0.006 0.000 1.372 359 I CB 0.331 38.337 38.000 0.010 0.000 1.408 359 I HN 0.564 nan 8.210 nan 0.000 0.516 360 S N 3.759 119.455 115.700 -0.005 0.000 2.402 360 S HA -0.069 4.401 4.470 0.001 0.000 0.229 360 S C 1.011 175.593 174.600 -0.030 0.000 1.021 360 S CA 0.479 58.672 58.200 -0.012 0.000 0.974 360 S CB -0.494 62.698 63.200 -0.012 0.000 0.800 360 S HN 0.758 nan 8.310 nan 0.000 0.484 361 T N 1.053 115.583 114.554 -0.040 0.000 2.881 361 T HA 0.690 5.040 4.350 0.001 0.000 0.278 361 T C 0.192 174.829 174.700 -0.105 0.000 0.982 361 T CA -1.063 60.995 62.100 -0.071 0.000 0.989 361 T CB 0.849 69.681 68.868 -0.061 0.000 1.058 361 T HN 0.489 nan 8.240 nan 0.000 0.529 362 I N -2.041 118.420 120.570 -0.182 0.000 2.693 362 I HA 0.659 4.829 4.170 0.001 0.000 0.303 362 I C -2.862 173.116 176.117 -0.232 0.000 1.025 362 I CA -3.254 57.850 61.300 -0.326 0.000 1.086 362 I CB 1.121 38.719 38.000 -0.670 0.000 1.268 362 I HN 0.362 nan 8.210 nan 0.000 0.440 363 P HA 0.086 nan 4.420 nan 0.000 0.268 363 P C 0.761 178.023 177.300 -0.063 0.000 1.205 363 P CA -0.202 62.858 63.100 -0.068 0.000 0.771 363 P CB 0.902 32.615 31.700 0.022 0.000 0.858 364 S N 1.759 117.445 115.700 -0.022 0.000 2.419 364 S HA -0.180 4.291 4.470 0.001 0.000 0.233 364 S C 1.280 175.908 174.600 0.046 0.000 1.016 364 S CA 1.243 59.441 58.200 -0.004 0.000 0.974 364 S CB -0.852 62.345 63.200 -0.005 0.000 0.786 364 S HN 0.597 nan 8.310 nan 0.000 0.492 365 N N 1.559 120.304 118.700 0.075 0.000 2.336 365 N HA 0.013 4.754 4.740 0.001 0.000 0.189 365 N C -0.271 175.402 175.510 0.272 0.000 1.113 365 N CA 0.262 53.399 53.050 0.144 0.000 0.858 365 N CB -1.043 37.515 38.487 0.118 0.000 0.970 365 N HN 0.355 nan 8.380 nan 0.000 0.471 366 N N -0.187 118.640 118.700 0.212 0.000 2.740 366 N HA -0.119 4.622 4.740 0.001 0.000 0.248 366 N C 0.207 175.930 175.510 0.355 0.000 1.062 366 N CA 1.145 54.381 53.050 0.310 0.000 0.704 366 N CB -1.469 37.355 38.487 0.562 0.000 0.968 366 N HN 0.636 nan 8.380 nan 0.000 0.547 367 G N -0.884 108.062 108.800 0.245 0.000 2.583 367 G HA2 0.558 4.519 3.960 0.001 0.000 0.280 367 G HA3 0.558 4.519 3.960 0.001 0.000 0.280 367 G C 0.237 175.205 174.900 0.113 0.000 1.376 367 G CA -0.421 44.758 45.100 0.131 0.000 1.043 367 G HN 0.098 nan 8.290 nan 0.000 0.538 368 V N 0.801 120.722 119.914 0.012 0.000 2.673 368 V HA 0.293 4.414 4.120 0.001 0.000 0.303 368 V C 1.173 177.281 176.094 0.023 0.000 1.046 368 V CA 0.336 62.617 62.300 -0.033 0.000 1.126 368 V CB 0.439 32.234 31.823 -0.047 0.000 0.934 368 V HN 0.985 nan 8.190 nan 0.000 0.487 369 T N 0.811 115.368 114.554 0.006 0.000 2.936 369 T HA 0.393 4.743 4.350 0.001 0.000 0.282 369 T C 0.791 175.492 174.700 0.003 0.000 1.003 369 T CA -0.715 61.411 62.100 0.043 0.000 1.005 369 T CB 1.520 70.439 68.868 0.085 0.000 1.097 369 T HN 0.652 nan 8.240 nan 0.000 0.532 370 E N 0.277 120.483 120.200 0.011 0.000 2.204 370 E HA -0.045 4.305 4.350 0.001 0.000 0.194 370 E C 2.340 178.932 176.600 -0.013 0.000 0.989 370 E CA 0.865 57.263 56.400 -0.003 0.000 0.824 370 E CB -0.307 29.393 29.700 0.000 0.000 0.756 370 E HN 0.768 nan 8.360 nan 0.000 0.477 371 A N 1.099 123.912 122.820 -0.011 0.000 1.877 371 A HA -0.192 4.128 4.320 0.001 0.000 0.216 371 A C 2.386 179.944 177.584 -0.043 0.000 1.186 371 A CA 1.900 53.923 52.037 -0.022 0.000 0.620 371 A CB -0.852 18.137 19.000 -0.019 0.000 0.822 371 A HN 0.160 nan 8.150 nan 0.000 0.443 372 T N -0.280 114.236 114.554 -0.062 0.000 2.737 372 T HA -0.108 4.242 4.350 0.001 0.000 0.265 372 T C 1.925 176.591 174.700 -0.057 0.000 1.038 372 T CA 1.576 63.626 62.100 -0.084 0.000 1.144 372 T CB -0.512 68.282 68.868 -0.122 0.000 0.866 372 T HN 0.158 nan 8.240 nan 0.000 0.434 373 V N 1.832 121.720 119.914 -0.042 0.000 2.252 373 V HA -0.245 3.876 4.120 0.001 0.000 0.249 373 V C 2.343 178.425 176.094 -0.021 0.000 1.056 373 V CA 2.262 64.545 62.300 -0.029 0.000 1.022 373 V CB -0.720 31.090 31.823 -0.021 0.000 0.641 373 V HN 0.515 nan 8.190 nan 0.000 0.445 374 D N -0.343 120.045 120.400 -0.020 0.000 2.097 374 D HA -0.172 4.468 4.640 0.001 0.000 0.195 374 D C 2.170 178.469 176.300 -0.002 0.000 0.989 374 D CA 1.896 55.888 54.000 -0.014 0.000 0.827 374 D CB -0.139 40.650 40.800 -0.017 0.000 0.966 374 D HN 0.409 nan 8.370 nan 0.000 0.456 375 T N 0.034 114.580 114.554 -0.015 0.000 2.720 375 T HA -0.157 4.193 4.350 0.001 0.000 0.268 375 T C 1.759 176.457 174.700 -0.004 0.000 1.037 375 T CA 1.174 63.265 62.100 -0.015 0.000 1.144 375 T CB -0.117 68.720 68.868 -0.051 0.000 0.864 375 T HN 0.174 nan 8.240 nan 0.000 0.444 376 M N 0.979 120.570 119.600 -0.015 0.000 2.200 376 M HA 0.094 4.574 4.480 0.001 0.000 0.265 376 M C 2.663 178.982 176.300 0.033 0.000 1.066 376 M CA 0.876 56.173 55.300 -0.006 0.000 1.127 376 M CB -1.567 31.019 32.600 -0.024 0.000 1.379 376 M HN 0.214 nan 8.290 nan 0.000 0.420 377 S N 0.242 115.962 115.700 0.033 0.000 2.368 377 S HA -0.195 4.275 4.470 0.001 0.000 0.225 377 S C 2.117 176.782 174.600 0.109 0.000 1.030 377 S CA 1.644 59.875 58.200 0.052 0.000 0.999 377 S CB -0.076 63.140 63.200 0.026 0.000 0.844 377 S HN 0.370 nan 8.310 nan 0.000 0.459 378 R N 1.169 121.747 120.500 0.129 0.000 2.080 378 R HA 0.079 4.419 4.340 0.001 0.000 0.236 378 R C 2.223 178.773 176.300 0.418 0.000 1.137 378 R CA 1.872 58.126 56.100 0.256 0.000 0.943 378 R CB -1.080 29.355 30.300 0.225 0.000 0.846 378 R HN 0.512 nan 8.270 nan 0.000 0.431 379 L N 0.070 121.453 121.223 0.267 0.000 2.131 379 L HA -0.097 4.244 4.340 0.001 0.000 0.210 379 L C 2.580 179.576 176.870 0.210 0.000 1.092 379 L CA 1.409 56.387 54.840 0.229 0.000 0.759 379 L CB -0.422 41.650 42.059 0.020 0.000 0.903 379 L HN 0.173 nan 8.230 nan 0.000 0.435 380 R N 0.933 121.520 120.500 0.144 0.000 2.096 380 R HA -0.143 4.197 4.340 0.001 0.000 0.235 380 R C 2.094 178.460 176.300 0.110 0.000 1.127 380 R CA 1.536 57.696 56.100 0.100 0.000 0.968 380 R CB -0.126 30.216 30.300 0.071 0.000 0.861 380 R HN 0.278 nan 8.270 nan 0.000 0.440 381 K N -1.343 119.150 120.400 0.154 0.000 2.116 381 K HA -0.026 4.294 4.320 0.001 0.000 0.203 381 K C 1.930 178.405 176.600 -0.209 0.000 1.052 381 K CA 1.125 57.469 56.287 0.095 0.000 0.952 381 K CB -0.186 32.530 32.500 0.361 0.000 0.729 381 K HN 0.082 nan 8.250 nan 0.000 0.446 382 F N 2.026 121.842 119.950 -0.223 0.000 2.126 382 F HA -0.238 4.289 4.527 -0.000 0.000 0.299 382 F C 2.737 178.449 175.800 -0.147 0.000 1.096 382 F CA 1.840 59.655 58.000 -0.309 0.000 1.255 382 F CB -0.428 38.560 39.000 -0.021 0.000 0.997 382 F HN 0.052 nan 8.300 nan 0.000 0.479 383 S N -0.576 115.206 115.700 0.137 0.000 2.474 383 S HA -0.150 4.320 4.470 0.001 0.000 0.235 383 S C 1.496 176.101 174.600 0.008 0.000 0.997 383 S CA 1.089 59.328 58.200 0.065 0.000 0.949 383 S CB -0.616 62.615 63.200 0.051 0.000 0.766 383 S HN 0.540 nan 8.310 nan 0.000 0.517 384 E N -0.311 119.889 120.200 0.001 0.000 2.435 384 E HA 0.033 4.383 4.350 0.001 0.000 0.195 384 E C -0.438 176.031 176.600 -0.219 0.000 1.029 384 E CA 0.455 56.808 56.400 -0.079 0.000 0.865 384 E CB -0.031 29.637 29.700 -0.054 0.000 0.833 384 E HN 0.748 nan 8.360 nan 0.000 0.510 385 Y N 0.609 120.780 120.300 -0.215 0.000 2.602 385 Y HA 0.173 4.724 4.550 0.002 0.000 0.373 385 Y C 1.388 177.101 175.900 -0.311 0.000 0.960 385 Y CA -0.540 57.392 58.100 -0.278 0.000 1.281 385 Y CB 0.431 38.650 38.460 -0.401 0.000 1.308 385 Y HN -0.140 nan 8.280 nan 0.000 0.595 386 K N 0.678 121.020 120.400 -0.096 0.000 2.020 386 K HA -0.251 4.070 4.320 0.001 0.000 0.212 386 K C 1.386 177.922 176.600 -0.105 0.000 1.050 386 K CA 2.171 58.411 56.287 -0.078 0.000 0.929 386 K CB 0.054 32.521 32.500 -0.055 0.000 0.714 386 K HN 0.457 nan 8.250 nan 0.000 0.443 387 N N 0.188 118.827 118.700 -0.102 0.000 2.036 387 N HA -0.158 4.583 4.740 0.001 0.000 0.195 387 N C 1.942 177.370 175.510 -0.136 0.000 1.037 387 N CA 1.629 54.632 53.050 -0.079 0.000 0.855 387 N CB -0.803 37.656 38.487 -0.046 0.000 1.033 387 N HN 0.454 nan 8.380 nan 0.000 0.423 388 G N 1.131 109.756 108.800 -0.292 0.000 2.459 388 G HA2 -0.263 3.697 3.960 0.001 0.000 0.217 388 G HA3 -0.263 3.697 3.960 0.001 0.000 0.217 388 G C 1.996 176.511 174.900 -0.642 0.000 1.183 388 G CA 1.160 45.905 45.100 -0.593 0.000 0.776 388 G HN 0.367 nan 8.290 nan 0.000 0.552 389 C N 0.266 119.147 119.300 -0.698 0.000 2.393 389 C HA -0.044 4.416 4.460 0.001 0.000 0.276 389 C C 2.947 177.919 174.990 -0.030 0.000 1.215 389 C CA 0.846 59.814 59.018 -0.083 0.000 1.743 389 C CB -1.257 26.526 27.740 0.072 0.000 2.044 389 C HN 0.450 nan 8.230 nan 0.000 0.464 390 L N 0.858 122.049 121.223 -0.054 0.000 1.990 390 L HA -0.119 4.222 4.340 0.001 0.000 0.213 390 L C 2.866 179.736 176.870 0.000 0.000 1.072 390 L CA 1.990 56.837 54.840 0.011 0.000 0.755 390 L CB -1.281 40.820 42.059 0.069 0.000 0.889 390 L HN 0.529 nan 8.230 nan 0.000 0.432 391 G N -0.684 108.140 108.800 0.040 0.000 2.442 391 G HA2 -0.281 3.680 3.960 0.001 0.000 0.219 391 G HA3 -0.281 3.680 3.960 0.001 0.000 0.219 391 G C 1.703 176.564 174.900 -0.065 0.000 1.141 391 G CA 0.820 45.956 45.100 0.059 0.000 0.763 391 G HN 0.502 nan 8.290 nan 0.000 0.554 392 A N 0.404 123.219 122.820 -0.009 0.000 2.070 392 A HA 0.064 4.384 4.320 0.001 0.000 0.220 392 A C 2.263 179.705 177.584 -0.237 0.000 1.159 392 A CA 1.540 53.593 52.037 0.026 0.000 0.656 392 A CB -0.287 18.929 19.000 0.360 0.000 0.800 392 A HN 0.308 nan 8.150 nan 0.000 0.453 393 M N 0.579 119.920 119.600 -0.433 0.000 2.632 393 M HA -0.026 4.455 4.480 0.001 0.000 0.256 393 M C 0.475 176.455 176.300 -0.533 0.000 1.080 393 M CA 0.240 55.223 55.300 -0.528 0.000 1.084 393 M CB -1.166 31.125 32.600 -0.515 0.000 1.439 393 M HN 0.377 nan 8.290 nan 0.000 0.509 394 D N 2.208 122.285 120.400 -0.539 0.000 2.371 394 D HA -0.055 4.585 4.640 0.001 0.000 0.256 394 D C -0.168 176.079 176.300 -0.088 0.000 1.193 394 D CA 0.308 54.181 54.000 -0.212 0.000 0.881 394 D CB 0.349 41.127 40.800 -0.036 0.000 1.143 394 D HN 0.174 nan 8.370 nan 0.000 0.473 395 N N 3.191 121.869 118.700 -0.038 0.000 2.642 395 N HA -0.227 4.514 4.740 0.001 0.000 0.269 395 N C -0.424 175.063 175.510 -0.039 0.000 1.073 395 N CA 0.552 53.591 53.050 -0.018 0.000 0.748 395 N CB -0.845 37.645 38.487 0.006 0.000 0.894 395 N HN 0.655 nan 8.380 nan 0.000 0.548 396 I N 0.295 120.827 120.570 -0.064 0.000 2.646 396 I HA 0.042 4.212 4.170 0.001 0.000 0.265 396 I C 0.551 176.595 176.117 -0.121 0.000 1.350 396 I CA -0.358 60.897 61.300 -0.074 0.000 0.990 396 I CB 0.454 38.399 38.000 -0.092 0.000 1.352 396 I HN 0.218 nan 8.210 nan 0.000 0.509 397 T N 1.431 115.898 114.554 -0.146 0.000 2.680 397 T HA 0.094 4.444 4.350 0.001 0.000 0.314 397 T C 1.195 175.510 174.700 -0.642 0.000 1.045 397 T CA -0.020 61.945 62.100 -0.224 0.000 1.025 397 T CB 0.941 69.731 68.868 -0.130 0.000 1.000 397 T HN 0.750 nan 8.240 nan 0.000 0.535 398 R N 0.248 120.312 120.500 -0.727 0.000 2.148 398 R HA -0.074 4.266 4.340 0.001 0.000 0.227 398 R C 2.068 177.639 176.300 -1.215 0.000 1.103 398 R CA 1.465 56.694 56.100 -1.451 0.000 0.983 398 R CB -0.229 29.782 30.300 -0.482 0.000 0.874 398 R HN 0.829 nan 8.270 nan 0.000 0.451 399 E N -0.407 119.442 120.200 -0.585 0.000 2.511 399 E HA -0.078 4.272 4.350 0.001 0.000 0.196 399 E C 0.899 177.358 176.600 -0.235 0.000 1.066 399 E CA 0.422 56.630 56.400 -0.321 0.000 0.871 399 E CB 0.031 29.670 29.700 -0.101 0.000 0.863 399 E HN 0.532 nan 8.360 nan 0.000 0.520 400 N N -0.055 118.455 118.700 -0.317 0.000 2.446 400 N HA -0.064 4.676 4.740 0.001 0.000 0.179 400 N C 1.163 176.721 175.510 0.081 0.000 1.054 400 N CA 0.647 53.642 53.050 -0.091 0.000 0.905 400 N CB 0.143 38.595 38.487 -0.059 0.000 0.973 400 N HN 0.353 nan 8.380 nan 0.000 0.448 401 W N 0.127 121.474 121.300 0.079 0.000 2.868 401 W HA 0.438 5.097 4.660 -0.000 0.000 0.320 401 W C -0.292 176.305 176.519 0.130 0.000 1.076 401 W CA -0.469 56.962 57.345 0.143 0.000 1.576 401 W CB -0.326 29.277 29.460 0.239 0.000 1.030 401 W HN -0.303 nan 8.180 nan 0.000 0.558 402 L N 4.200 125.495 121.223 0.120 0.000 2.399 402 L HA 0.390 4.731 4.340 0.001 0.000 0.266 402 L C -1.326 175.661 176.870 0.196 0.000 1.114 402 L CA -2.062 52.866 54.840 0.146 0.000 0.804 402 L CB 0.452 42.363 42.059 -0.247 0.000 1.146 402 L HN -0.337 nan 8.230 nan 0.000 0.451 403 P HA 0.056 nan 4.420 nan 0.000 0.269 403 P C 0.353 177.797 177.300 0.240 0.000 1.209 403 P CA -0.167 63.071 63.100 0.230 0.000 0.776 403 P CB 0.939 32.778 31.700 0.231 0.000 0.876 404 S N 2.222 118.015 115.700 0.154 0.000 2.432 404 S HA -0.254 4.216 4.470 0.001 0.000 0.266 404 S C 0.891 175.533 174.600 0.069 0.000 1.076 404 S CA 2.134 60.396 58.200 0.104 0.000 1.320 404 S CB -1.071 62.167 63.200 0.063 0.000 1.222 404 S HN 0.654 nan 8.310 nan 0.000 0.439 405 N N 1.426 120.144 118.700 0.030 0.000 3.131 405 N HA 0.304 5.045 4.740 0.001 0.000 0.312 405 N C -0.499 174.969 175.510 -0.069 0.000 1.433 405 N CA -0.294 52.704 53.050 -0.086 0.000 1.141 405 N CB -0.117 38.334 38.487 -0.059 0.000 1.431 405 N HN 0.523 nan 8.380 nan 0.000 0.523 406 Y N -0.545 119.806 120.300 0.084 0.000 2.709 406 Y HA 0.098 4.648 4.550 0.000 0.000 0.348 406 Y C 0.053 176.053 175.900 0.167 0.000 1.267 406 Y CA -0.487 57.713 58.100 0.167 0.000 1.486 406 Y CB 0.588 39.142 38.460 0.156 0.000 1.356 406 Y HN -0.061 nan 8.280 nan 0.000 0.639 407 K N 3.061 123.721 120.400 0.432 0.000 2.358 407 K HA 0.161 4.481 4.320 0.001 0.000 0.260 407 K C 0.350 177.225 176.600 0.458 0.000 0.956 407 K CA -0.588 55.866 56.287 0.279 0.000 0.834 407 K CB 1.793 34.391 32.500 0.163 0.000 1.102 407 K HN 0.796 nan 8.250 nan 0.000 0.431 408 E N 2.242 122.652 120.200 0.349 0.000 2.065 408 E HA -0.329 4.022 4.350 0.001 0.000 0.201 408 E C 1.539 178.320 176.600 0.302 0.000 1.016 408 E CA 2.055 58.663 56.400 0.348 0.000 0.818 408 E CB -0.031 29.780 29.700 0.185 0.000 0.749 408 E HN 0.534 nan 8.360 nan 0.000 0.453 409 K N 1.106 121.616 120.400 0.184 0.000 2.286 409 K HA -0.196 4.124 4.320 0.001 0.000 0.203 409 K C 1.384 178.041 176.600 0.096 0.000 1.045 409 K CA 1.696 58.056 56.287 0.120 0.000 0.935 409 K CB -0.040 32.509 32.500 0.081 0.000 0.737 409 K HN 0.107 nan 8.250 nan 0.000 0.460 410 E N -0.439 119.817 120.200 0.093 0.000 2.502 410 E HA 0.025 4.376 4.350 0.001 0.000 0.194 410 E C -0.714 175.655 176.600 -0.385 0.000 1.062 410 E CA 0.028 56.350 56.400 -0.129 0.000 0.867 410 E CB 0.124 29.696 29.700 -0.213 0.000 0.888 410 E HN 0.321 nan 8.360 nan 0.000 0.510 411 Y N -1.253 119.098 120.300 0.085 0.000 2.570 411 Y HA 0.141 4.691 4.550 0.000 0.000 0.345 411 Y C 1.215 177.151 175.900 0.061 0.000 1.014 411 Y CA -0.988 57.155 58.100 0.072 0.000 1.063 411 Y CB 1.592 40.099 38.460 0.077 0.000 1.272 411 Y HN -0.184 nan 8.280 nan 0.000 0.477 412 T N -1.341 113.338 114.554 0.209 0.000 3.145 412 T HA 0.184 4.534 4.350 0.001 0.000 0.255 412 T C -0.098 174.687 174.700 0.141 0.000 1.039 412 T CA -0.234 61.946 62.100 0.133 0.000 0.928 412 T CB -0.403 68.516 68.868 0.086 0.000 1.029 412 T HN 0.292 nan 8.240 nan 0.000 0.554 413 L N 2.746 124.078 121.223 0.182 0.000 2.418 413 L HA 0.361 4.701 4.340 0.001 0.000 0.274 413 L C -0.102 176.834 176.870 0.110 0.000 1.135 413 L CA 0.400 55.337 54.840 0.162 0.000 0.870 413 L CB 0.267 42.428 42.059 0.169 0.000 1.154 413 L HN 0.254 nan 8.230 nan 0.000 0.462 420 W N 1.947 123.260 121.300 0.021 0.000 3.466 420 W HA 0.048 4.708 4.660 -0.000 0.000 0.323 420 W C 0.786 177.322 176.519 0.028 0.000 1.264 420 W CA 0.688 58.047 57.345 0.023 0.000 1.750 420 W CB 0.334 29.797 29.460 0.006 0.000 1.040 420 W HN 0.745 nan 8.180 nan 0.000 0.742 421 E N 0.585 120.854 120.200 0.114 0.000 2.288 421 E HA -0.065 4.286 4.350 0.001 0.000 0.200 421 E C 0.729 177.371 176.600 0.070 0.000 0.880 421 E CA 0.508 56.962 56.400 0.090 0.000 0.971 421 E CB -0.177 29.575 29.700 0.088 0.000 0.954 421 E HN 0.052 nan 8.360 nan 0.000 0.489 422 D N -0.008 120.410 120.400 0.029 0.000 2.400 422 D HA -0.097 4.543 4.640 0.001 0.000 0.238 422 D C 0.477 176.825 176.300 0.081 0.000 1.157 422 D CA 0.294 54.296 54.000 0.004 0.000 0.889 422 D CB 0.317 41.092 40.800 -0.042 0.000 1.199 422 D HN 0.433 nan 8.370 nan 0.000 0.436 423 H N 0.719 119.749 119.070 -0.067 0.000 2.489 423 H HA -0.090 4.466 4.556 0.001 0.000 0.293 423 H C 1.081 176.353 175.328 -0.092 0.000 1.066 423 H CA 0.948 56.947 56.048 -0.081 0.000 1.305 423 H CB 0.076 29.802 29.762 -0.060 0.000 1.386 423 H HN 0.484 nan 8.280 nan 0.000 0.551 424 N N 0.266 118.986 118.700 0.034 0.000 2.171 424 N HA -0.106 4.635 4.740 0.001 0.000 0.184 424 N C 1.889 177.361 175.510 -0.062 0.000 1.021 424 N CA 0.799 53.840 53.050 -0.014 0.000 0.854 424 N CB -0.092 38.383 38.487 -0.019 0.000 0.994 424 N HN 0.033 nan 8.380 nan 0.000 0.426 425 V N 0.732 120.588 119.914 -0.097 0.000 2.358 425 V HA -0.117 4.004 4.120 0.001 0.000 0.246 425 V C 2.143 178.050 176.094 -0.312 0.000 1.047 425 V CA 1.015 63.205 62.300 -0.184 0.000 1.035 425 V CB -0.531 31.175 31.823 -0.195 0.000 0.658 425 V HN 0.228 nan 8.190 nan 0.000 0.452 426 L N -0.312 120.733 121.223 -0.297 0.000 2.017 426 L HA -0.137 4.204 4.340 0.001 0.000 0.208 426 L C 2.211 179.019 176.870 -0.102 0.000 1.073 426 L CA 1.911 56.584 54.840 -0.278 0.000 0.745 426 L CB -0.705 41.246 42.059 -0.179 0.000 0.894 426 L HN 0.297 nan 8.230 nan 0.000 0.432 427 L N -1.440 119.722 121.223 -0.101 0.000 2.093 427 L HA -0.148 4.193 4.340 0.001 0.000 0.208 427 L C 2.661 179.506 176.870 -0.042 0.000 1.085 427 L CA 1.994 56.790 54.840 -0.075 0.000 0.755 427 L CB -0.835 41.198 42.059 -0.043 0.000 0.904 427 L HN 0.421 nan 8.230 nan 0.000 0.435 428 S N -1.849 113.806 115.700 -0.075 0.000 2.368 428 S HA -0.248 4.223 4.470 0.001 0.000 0.224 428 S C 2.307 176.857 174.600 -0.084 0.000 1.029 428 S CA 1.373 59.523 58.200 -0.083 0.000 0.988 428 S CB -0.884 62.265 63.200 -0.086 0.000 0.838 428 S HN 0.714 nan 8.310 nan 0.000 0.462 429 C N 0.826 120.077 119.300 -0.081 0.000 2.413 429 C HA -0.050 4.410 4.460 0.001 0.000 0.276 429 C C 2.310 177.324 174.990 0.041 0.000 1.248 429 C CA 1.119 60.146 59.018 0.014 0.000 1.742 429 C CB -1.998 25.733 27.740 -0.015 0.000 2.017 429 C HN 0.743 nan 8.230 nan 0.000 0.481 430 F N 1.852 121.630 119.950 -0.286 0.000 2.095 430 F HA -0.094 4.433 4.527 0.000 0.000 0.298 430 F C 1.953 177.478 175.800 -0.459 0.000 1.104 430 F CA 1.978 59.507 58.000 -0.785 0.000 1.232 430 F CB -0.536 37.761 39.000 -1.171 0.000 0.987 430 F HN 0.132 nan 8.300 nan 0.000 0.475 431 I N -0.105 120.178 120.570 -0.478 0.000 2.179 431 I HA -0.241 3.930 4.170 0.001 0.000 0.242 431 I C 2.556 178.453 176.117 -0.367 0.000 1.088 431 I CA 1.404 62.412 61.300 -0.487 0.000 1.357 431 I CB -1.929 35.933 38.000 -0.229 0.000 1.051 431 I HN 0.137 nan 8.210 nan 0.000 0.409 432 S N 0.700 116.271 115.700 -0.216 0.000 2.382 432 S HA -0.169 4.301 4.470 0.001 0.000 0.228 432 S C 1.597 176.155 174.600 -0.070 0.000 1.027 432 S CA 1.299 59.433 58.200 -0.111 0.000 0.991 432 S CB -0.222 62.960 63.200 -0.030 0.000 0.823 432 S HN 0.425 nan 8.310 nan 0.000 0.469 433 D N 0.709 121.067 120.400 -0.070 0.000 2.144 433 D HA -0.038 4.603 4.640 0.001 0.000 0.200 433 D C 2.000 178.260 176.300 -0.067 0.000 0.978 433 D CA 0.644 54.690 54.000 0.076 0.000 0.833 433 D CB -0.461 40.459 40.800 0.200 0.000 0.961 433 D HN 0.337 nan 8.370 nan 0.000 0.470 434 C N 0.279 119.361 119.300 -0.362 0.000 2.429 434 C HA -0.048 4.413 4.460 0.001 0.000 0.277 434 C C 2.803 177.665 174.990 -0.213 0.000 1.262 434 C CA 0.114 58.908 59.018 -0.372 0.000 1.733 434 C CB -0.885 26.474 27.740 -0.635 0.000 2.010 434 C HN 0.341 nan 8.230 nan 0.000 0.483 435 I N 0.711 121.164 120.570 -0.194 0.000 2.315 435 I HA -0.158 4.013 4.170 0.001 0.000 0.248 435 I C 2.076 178.130 176.117 -0.105 0.000 1.117 435 I CA 1.376 62.592 61.300 -0.140 0.000 1.404 435 I CB -0.547 37.379 38.000 -0.125 0.000 1.071 435 I HN 0.300 nan 8.210 nan 0.000 0.419 436 D N 0.581 120.939 120.400 -0.071 0.000 2.117 436 D HA -0.139 4.502 4.640 0.001 0.000 0.197 436 D C 2.247 178.467 176.300 -0.133 0.000 0.987 436 D CA 1.547 55.503 54.000 -0.073 0.000 0.829 436 D CB -0.296 40.492 40.800 -0.021 0.000 0.961 436 D HN 0.228 nan 8.370 nan 0.000 0.460 437 T N 1.150 115.643 114.554 -0.102 0.000 2.746 437 T HA -0.140 4.211 4.350 0.001 0.000 0.267 437 T C 1.914 176.559 174.700 -0.091 0.000 1.039 437 T CA 0.592 62.639 62.100 -0.088 0.000 1.142 437 T CB -0.293 68.573 68.868 -0.005 0.000 0.866 437 T HN 0.049 nan 8.240 nan 0.000 0.444 438 L N 1.539 122.699 121.223 -0.106 0.000 1.994 438 L HA 0.072 4.412 4.340 0.001 0.000 0.208 438 L C 2.620 179.395 176.870 -0.160 0.000 1.071 438 L CA 2.028 56.796 54.840 -0.121 0.000 0.745 438 L CB -1.133 40.845 42.059 -0.135 0.000 0.892 438 L HN 0.207 nan 8.230 nan 0.000 0.431 439 A N -1.004 121.710 122.820 -0.178 0.000 1.865 439 A HA -0.206 4.115 4.320 0.001 0.000 0.217 439 A C 2.437 179.901 177.584 -0.200 0.000 1.191 439 A CA 2.197 54.085 52.037 -0.248 0.000 0.623 439 A CB -1.445 17.447 19.000 -0.181 0.000 0.826 439 A HN 0.373 nan 8.150 nan 0.000 0.444 440 V N 0.838 120.690 119.914 -0.103 0.000 2.343 440 V HA -0.236 3.885 4.120 0.001 0.000 0.247 440 V C 2.093 178.161 176.094 -0.043 0.000 1.051 440 V CA 2.502 64.772 62.300 -0.049 0.000 1.036 440 V CB -0.799 30.973 31.823 -0.084 0.000 0.654 440 V HN 0.602 nan 8.190 nan 0.000 0.451 441 N N -0.196 118.470 118.700 -0.057 0.000 2.188 441 N HA -0.066 4.675 4.740 0.001 0.000 0.184 441 N C 1.800 177.302 175.510 -0.014 0.000 1.018 441 N CA 1.588 54.624 53.050 -0.024 0.000 0.858 441 N CB -0.157 38.319 38.487 -0.020 0.000 0.989 441 N HN 0.437 nan 8.380 nan 0.000 0.426 442 L N 1.208 122.394 121.223 -0.061 0.000 2.093 442 L HA -0.107 4.233 4.340 0.001 0.000 0.208 442 L C 2.498 179.398 176.870 0.050 0.000 1.085 442 L CA 0.967 55.791 54.840 -0.027 0.000 0.755 442 L CB -0.262 41.661 42.059 -0.227 0.000 0.904 442 L HN 0.215 nan 8.230 nan 0.000 0.435 443 E N 0.434 120.614 120.200 -0.035 0.000 2.047 443 E HA -0.271 4.079 4.350 0.001 0.000 0.191 443 E C 2.319 178.974 176.600 0.091 0.000 0.987 443 E CA 1.026 57.446 56.400 0.034 0.000 0.799 443 E CB 0.081 29.799 29.700 0.030 0.000 0.752 443 E HN 0.295 nan 8.360 nan 0.000 0.449 444 R N 1.090 121.629 120.500 0.064 0.000 2.083 444 R HA -0.201 4.140 4.340 0.001 0.000 0.237 444 R C 2.465 178.801 176.300 0.060 0.000 1.137 444 R CA 2.094 58.233 56.100 0.064 0.000 0.951 444 R CB -0.198 30.130 30.300 0.046 0.000 0.851 444 R HN -0.020 nan 8.270 nan 0.000 0.434 445 K N -0.233 120.203 120.400 0.060 0.000 2.057 445 K HA -0.118 4.203 4.320 0.001 0.000 0.207 445 K C 1.925 178.549 176.600 0.039 0.000 1.049 445 K CA 1.393 57.710 56.287 0.050 0.000 0.931 445 K CB -0.165 32.371 32.500 0.061 0.000 0.714 445 K HN 0.293 nan 8.250 nan 0.000 0.440 446 A N 1.126 123.993 122.820 0.077 0.000 1.902 446 A HA -0.197 4.123 4.320 0.001 0.000 0.217 446 A C 2.036 179.624 177.584 0.007 0.000 1.181 446 A CA 1.426 53.478 52.037 0.024 0.000 0.623 446 A CB -0.498 18.577 19.000 0.126 0.000 0.818 446 A HN 0.464 nan 8.150 nan 0.000 0.443 447 Q N -0.665 119.170 119.800 0.059 0.000 2.084 447 Q HA -0.105 4.235 4.340 0.001 0.000 0.202 447 Q C 2.034 178.046 176.000 0.021 0.000 0.978 447 Q CA 1.500 57.339 55.803 0.060 0.000 0.844 447 Q CB -0.281 28.517 28.738 0.099 0.000 0.898 447 Q HN 0.754 nan 8.270 nan 0.000 0.426 448 I N 0.294 120.874 120.570 0.017 0.000 2.394 448 I HA -0.230 3.941 4.170 0.001 0.000 0.251 448 I C 2.309 178.413 176.117 -0.023 0.000 1.136 448 I CA 0.759 62.062 61.300 0.005 0.000 1.425 448 I CB -0.288 37.718 38.000 0.011 0.000 1.079 448 I HN 0.137 nan 8.210 nan 0.000 0.425 449 A N 0.769 123.563 122.820 -0.043 0.000 1.897 449 A HA -0.056 4.265 4.320 0.001 0.000 0.215 449 A C 2.212 179.728 177.584 -0.114 0.000 1.181 449 A CA 1.199 53.191 52.037 -0.075 0.000 0.620 449 A CB -0.513 18.428 19.000 -0.098 0.000 0.821 449 A HN 0.386 nan 8.150 nan 0.000 0.443 450 L N -1.856 119.269 121.223 -0.162 0.000 2.375 450 L HA 0.226 4.567 4.340 0.001 0.000 0.215 450 L C 0.587 177.333 176.870 -0.207 0.000 1.108 450 L CA 0.385 55.040 54.840 -0.308 0.000 0.830 450 L CB -0.017 41.669 42.059 -0.622 0.000 0.959 450 L HN 0.297 nan 8.230 nan 0.000 0.457 451 M N -0.514 119.044 119.600 -0.070 0.000 2.067 451 M HA 0.237 4.718 4.480 0.001 0.000 0.214 451 M C -2.001 174.305 176.300 0.010 0.000 0.891 451 M CA -1.286 54.023 55.300 0.015 0.000 0.697 451 M CB 1.637 34.287 32.600 0.084 0.000 1.616 451 M HN -0.259 nan 8.290 nan 0.000 0.354 452 P HA -0.150 nan 4.420 nan 0.000 0.216 452 P C 0.766 178.072 177.300 0.009 0.000 1.150 452 P CA 1.455 64.555 63.100 -0.000 0.000 0.843 452 P CB 0.136 31.833 31.700 -0.006 0.000 0.787 453 N N -1.603 117.105 118.700 0.014 0.000 2.422 453 N HA -0.004 4.736 4.740 0.001 0.000 0.181 453 N C 0.561 176.083 175.510 0.020 0.000 1.080 453 N CA 0.610 53.670 53.050 0.016 0.000 0.893 453 N CB 0.030 38.526 38.487 0.015 0.000 0.973 453 N HN 0.299 nan 8.380 nan 0.000 0.456 454 Q N 0.858 120.674 119.800 0.027 0.000 2.227 454 Q HA 0.169 4.509 4.340 0.001 0.000 0.245 454 Q C -0.065 175.954 176.000 0.031 0.000 0.926 454 Q CA -0.203 55.618 55.803 0.030 0.000 0.895 454 Q CB 1.568 30.330 28.738 0.040 0.000 1.230 454 Q HN 0.214 nan 8.270 nan 0.000 0.450 455 E N 2.465 122.682 120.200 0.029 0.000 2.259 455 E HA 0.246 4.596 4.350 0.001 0.000 0.281 455 E C -2.093 174.531 176.600 0.040 0.000 1.037 455 E CA -1.693 54.726 56.400 0.031 0.000 0.854 455 E CB 0.638 30.355 29.700 0.027 0.000 1.051 455 E HN 0.179 nan 8.360 nan 0.000 0.409 456 P HA 0.039 nan 4.420 nan 0.000 0.268 456 P C -1.108 176.230 177.300 0.063 0.000 1.205 456 P CA 0.151 63.288 63.100 0.062 0.000 0.771 456 P CB 0.489 32.227 31.700 0.063 0.000 0.858 457 D N 2.633 123.080 120.400 0.077 0.000 2.412 457 D HA 0.193 4.833 4.640 0.001 0.000 0.276 457 D C -0.424 175.944 176.300 0.114 0.000 1.196 457 D CA -0.532 53.512 54.000 0.073 0.000 0.905 457 D CB 0.081 40.910 40.800 0.048 0.000 1.081 457 D HN 0.062 nan 8.370 nan 0.000 0.502 458 V N 0.135 120.122 119.914 0.122 0.000 3.133 458 V HA 0.700 4.821 4.120 0.001 0.000 0.305 458 V C 1.229 177.421 176.094 0.164 0.000 1.084 458 V CA -0.268 62.134 62.300 0.170 0.000 1.089 458 V CB 0.941 32.835 31.823 0.119 0.000 1.073 458 V HN 0.799 nan 8.190 nan 0.000 0.477 459 A N 1.471 124.415 122.820 0.208 0.000 2.783 459 A HA -0.207 4.114 4.320 0.001 0.000 0.292 459 A C 0.364 178.031 177.584 0.138 0.000 1.495 459 A CA 1.370 53.482 52.037 0.125 0.000 0.787 459 A CB -2.582 16.448 19.000 0.051 0.000 1.017 459 A HN 1.869 nan 8.150 nan 0.000 0.516 460 N N -1.153 117.671 118.700 0.207 0.000 2.640 460 N HA 0.496 5.236 4.740 0.001 0.000 0.262 460 N C -2.007 173.408 175.510 -0.159 0.000 1.174 460 N CA -1.911 51.164 53.050 0.043 0.000 0.791 460 N CB 1.227 39.723 38.487 0.016 0.000 1.279 460 N HN -0.028 nan 8.380 nan 0.000 0.535 461 P HA 0.039 nan 4.420 nan 0.000 0.228 461 P C 0.091 177.218 177.300 -0.288 0.000 1.151 461 P CA 0.876 63.739 63.100 -0.395 0.000 0.770 461 P CB 0.301 31.961 31.700 -0.066 0.000 0.786 462 N N -1.743 116.854 118.700 -0.172 0.000 2.230 462 N HA 0.026 4.766 4.740 0.001 0.000 0.202 462 N C 0.140 175.584 175.510 -0.110 0.000 1.119 462 N CA 0.188 53.169 53.050 -0.116 0.000 0.851 462 N CB 0.079 38.527 38.487 -0.064 0.000 0.990 462 N HN -0.009 nan 8.380 nan 0.000 0.497 463 S N 1.189 116.805 115.700 -0.140 0.000 2.509 463 S HA 0.043 4.513 4.470 0.001 0.000 0.287 463 S C 1.531 176.076 174.600 -0.092 0.000 1.248 463 S CA -0.352 57.790 58.200 -0.096 0.000 1.089 463 S CB 0.379 63.527 63.200 -0.086 0.000 0.900 463 S HN 0.403 nan 8.310 nan 0.000 0.496 464 S N 5.401 121.062 115.700 -0.065 0.000 2.414 464 S HA 0.040 4.511 4.470 0.001 0.000 0.227 464 S C 1.719 176.285 174.600 -0.056 0.000 1.022 464 S CA 0.135 58.297 58.200 -0.063 0.000 0.958 464 S CB -0.198 62.973 63.200 -0.049 0.000 0.797 464 S HN 0.683 nan 8.310 nan 0.000 0.493 465 K N 1.848 122.225 120.400 -0.039 0.000 2.209 465 K HA 0.085 4.406 4.320 0.001 0.000 0.204 465 K C 0.535 177.126 176.600 -0.016 0.000 1.048 465 K CA 0.417 56.691 56.287 -0.021 0.000 0.940 465 K CB -0.691 31.807 32.500 -0.004 0.000 0.729 465 K HN 0.399 nan 8.250 nan 0.000 0.451 466 N N 2.134 120.818 118.700 -0.027 0.000 2.415 466 N HA -0.017 4.724 4.740 0.001 0.000 0.250 466 N C 0.231 175.701 175.510 -0.067 0.000 1.127 466 N CA 0.187 53.234 53.050 -0.004 0.000 0.945 466 N CB 0.624 39.103 38.487 -0.013 0.000 1.196 466 N HN -0.147 nan 8.380 nan 0.000 0.499 467 K N 2.067 122.392 120.400 -0.125 0.000 2.444 467 K HA 0.048 4.368 4.320 0.001 0.000 0.193 467 K C -0.010 176.277 176.600 -0.522 0.000 1.024 467 K CA 0.390 56.478 56.287 -0.332 0.000 1.077 467 K CB 0.243 32.489 32.500 -0.424 0.000 0.833 467 K HN 0.596 nan 8.250 nan 0.000 0.517 468 H N -0.079 118.993 119.070 0.003 0.000 2.492 468 H HA 0.254 4.810 4.556 0.001 0.000 0.264 468 H C 0.759 176.118 175.328 0.051 0.000 1.150 468 H CA -0.230 55.831 56.048 0.022 0.000 0.962 468 H CB 0.580 30.363 29.762 0.034 0.000 1.766 468 H HN 0.062 nan 8.280 nan 0.000 0.589 469 K N 0.755 121.203 120.400 0.079 0.000 2.097 469 K HA -0.190 4.130 4.320 0.001 0.000 0.206 469 K C 2.037 178.748 176.600 0.184 0.000 1.049 469 K CA 1.080 57.446 56.287 0.131 0.000 0.933 469 K CB 0.305 32.738 32.500 -0.112 0.000 0.717 469 K HN 0.303 nan 8.250 nan 0.000 0.442 470 Q N 1.294 121.128 119.800 0.057 0.000 2.020 470 Q HA -0.206 4.134 4.340 0.001 0.000 0.202 470 Q C 2.289 178.170 176.000 -0.198 0.000 0.982 470 Q CA 1.524 57.318 55.803 -0.016 0.000 0.838 470 Q CB 0.009 28.719 28.738 -0.046 0.000 0.899 470 Q HN 0.195 nan 8.270 nan 0.000 0.423 471 R N -0.003 120.344 120.500 -0.254 0.000 2.075 471 R HA -0.097 4.243 4.340 0.001 0.000 0.232 471 R C 2.237 178.558 176.300 0.035 0.000 1.126 471 R CA 1.453 57.345 56.100 -0.346 0.000 0.963 471 R CB -0.251 30.019 30.300 -0.050 0.000 0.858 471 R HN 0.366 nan 8.270 nan 0.000 0.435 472 I N 0.337 121.001 120.570 0.156 0.000 2.226 472 I HA -0.161 4.010 4.170 0.001 0.000 0.245 472 I C 2.462 178.701 176.117 0.203 0.000 1.100 472 I CA 1.400 62.846 61.300 0.244 0.000 1.374 472 I CB -0.552 37.635 38.000 0.312 0.000 1.057 472 I HN 0.413 nan 8.210 nan 0.000 0.413 473 G N 0.689 109.649 108.800 0.267 0.000 2.440 473 G HA2 -0.321 3.639 3.960 0.001 0.000 0.218 473 G HA3 -0.321 3.639 3.960 0.001 0.000 0.218 473 G C 1.603 176.584 174.900 0.135 0.000 1.154 473 G CA 0.615 45.860 45.100 0.241 0.000 0.767 473 G HN 0.338 nan 8.290 nan 0.000 0.552 474 F N 0.811 120.750 119.950 -0.019 0.000 2.102 474 F HA 0.010 4.538 4.527 0.001 0.000 0.298 474 F C 2.169 177.994 175.800 0.041 0.000 1.105 474 F CA 1.326 59.318 58.000 -0.015 0.000 1.239 474 F CB -0.477 38.447 39.000 -0.127 0.000 0.991 474 F HN 0.133 nan 8.300 nan 0.000 0.474 475 F N 1.155 121.042 119.950 -0.105 0.000 2.091 475 F HA -0.255 4.272 4.527 0.000 0.000 0.299 475 F C 2.083 177.701 175.800 -0.305 0.000 1.103 475 F CA 1.684 59.567 58.000 -0.196 0.000 1.228 475 F CB -0.833 38.129 39.000 -0.064 0.000 0.984 475 F HN -0.039 nan 8.300 nan 0.000 0.477 476 I N 0.355 120.605 120.570 -0.533 0.000 2.226 476 I HA -0.273 3.897 4.170 0.001 0.000 0.245 476 I C 2.583 178.355 176.117 -0.576 0.000 1.100 476 I CA 1.246 62.066 61.300 -0.802 0.000 1.374 476 I CB -1.609 35.643 38.000 -1.246 0.000 1.057 476 I HN 0.258 nan 8.210 nan 0.000 0.413 477 L N -0.523 120.466 121.223 -0.390 0.000 2.083 477 L HA -0.196 4.145 4.340 0.001 0.000 0.209 477 L C 2.649 179.328 176.870 -0.318 0.000 1.083 477 L CA 0.948 55.630 54.840 -0.262 0.000 0.752 477 L CB -0.429 41.553 42.059 -0.129 0.000 0.899 477 L HN 0.186 nan 8.230 nan 0.000 0.433 478 M N -0.485 118.840 119.600 -0.458 0.000 2.213 478 M HA -0.176 4.305 4.480 0.001 0.000 0.263 478 M C 1.835 177.956 176.300 -0.298 0.000 1.062 478 M CA 1.700 56.759 55.300 -0.402 0.000 1.105 478 M CB -1.311 30.998 32.600 -0.485 0.000 1.385 478 M HN 0.283 nan 8.290 nan 0.000 0.417 479 N N 0.269 118.743 118.700 -0.378 0.000 2.207 479 N HA 0.009 4.749 4.740 0.001 0.000 0.182 479 N C 1.718 177.079 175.510 -0.248 0.000 1.020 479 N CA 0.843 53.697 53.050 -0.327 0.000 0.858 479 N CB -0.215 37.992 38.487 -0.467 0.000 0.991 479 N HN 0.235 nan 8.380 nan 0.000 0.427 480 L N 0.207 121.274 121.223 -0.260 0.000 2.265 480 L HA -0.137 4.204 4.340 0.001 0.000 0.215 480 L C 1.852 178.649 176.870 -0.121 0.000 1.117 480 L CA 0.901 55.636 54.840 -0.175 0.000 0.782 480 L CB -0.557 41.410 42.059 -0.153 0.000 0.914 480 L HN 0.267 nan 8.230 nan 0.000 0.441 481 T N 0.116 114.592 114.554 -0.130 0.000 2.708 481 T HA -0.186 4.164 4.350 0.001 0.000 0.266 481 T C 1.795 176.453 174.700 -0.071 0.000 1.037 481 T CA 1.352 63.400 62.100 -0.087 0.000 1.146 481 T CB -0.147 68.666 68.868 -0.092 0.000 0.865 481 T HN 0.163 nan 8.240 nan 0.000 0.435 482 L N 1.278 122.450 121.223 -0.086 0.000 2.093 482 L HA 0.033 4.373 4.340 0.001 0.000 0.208 482 L C 2.380 179.214 176.870 -0.060 0.000 1.085 482 L CA 1.350 56.151 54.840 -0.065 0.000 0.755 482 L CB -0.749 41.268 42.059 -0.071 0.000 0.904 482 L HN 0.051 nan 8.230 nan 0.000 0.435 483 V N 0.079 119.945 119.914 -0.079 0.000 2.282 483 V HA -0.348 3.773 4.120 0.001 0.000 0.249 483 V C 2.627 178.695 176.094 -0.045 0.000 1.057 483 V CA 2.188 64.446 62.300 -0.071 0.000 1.032 483 V CB -0.668 31.099 31.823 -0.094 0.000 0.645 483 V HN 0.645 nan 8.190 nan 0.000 0.447 484 E N -0.536 119.643 120.200 -0.035 0.000 2.150 484 E HA -0.235 4.115 4.350 0.001 0.000 0.193 484 E C 2.242 178.843 176.600 0.002 0.000 0.985 484 E CA 1.098 57.495 56.400 -0.005 0.000 0.814 484 E CB -0.054 29.646 29.700 0.001 0.000 0.752 484 E HN 0.697 nan 8.360 nan 0.000 0.466 485 Q N 0.062 119.855 119.800 -0.011 0.000 2.079 485 Q HA -0.109 4.231 4.340 0.001 0.000 0.200 485 Q C 2.245 178.244 176.000 -0.002 0.000 0.974 485 Q CA 1.345 57.144 55.803 -0.006 0.000 0.840 485 Q CB -0.012 28.718 28.738 -0.013 0.000 0.898 485 Q HN 0.412 nan 8.270 nan 0.000 0.430 486 I N 0.053 120.618 120.570 -0.008 0.000 2.676 486 I HA -0.186 3.985 4.170 0.001 0.000 0.259 486 I C 1.981 178.100 176.117 0.003 0.000 1.194 486 I CA 0.450 61.748 61.300 -0.004 0.000 1.473 486 I CB 0.064 38.058 38.000 -0.010 0.000 1.096 486 I HN 0.040 nan 8.210 nan 0.000 0.443 487 V N 0.592 120.508 119.914 0.004 0.000 2.346 487 V HA -0.241 3.879 4.120 0.001 0.000 0.244 487 V C 2.419 178.538 176.094 0.043 0.000 1.037 487 V CA 1.798 64.106 62.300 0.015 0.000 1.029 487 V CB -0.456 31.375 31.823 0.014 0.000 0.663 487 V HN 0.456 nan 8.190 nan 0.000 0.454 488 E N 0.337 120.565 120.200 0.047 0.000 2.265 488 E HA -0.221 4.129 4.350 0.001 0.000 0.196 488 E C 1.561 178.176 176.600 0.026 0.000 0.996 488 E CA 1.037 57.463 56.400 0.043 0.000 0.832 488 E CB 0.092 29.808 29.700 0.026 0.000 0.756 488 E HN 0.565 nan 8.360 nan 0.000 0.491 489 K N 0.118 120.529 120.400 0.019 0.000 2.373 489 K HA 0.102 4.423 4.320 0.001 0.000 0.202 489 K C -0.082 176.525 176.600 0.013 0.000 1.025 489 K CA 0.013 56.307 56.287 0.012 0.000 1.115 489 K CB 1.151 33.656 32.500 0.008 0.000 0.858 489 K HN 0.031 nan 8.250 nan 0.000 0.525 490 S N -1.023 114.687 115.700 0.016 0.000 2.806 490 S HA 0.240 4.710 4.470 0.001 0.000 0.306 490 S C 0.694 175.303 174.600 0.015 0.000 1.167 490 S CA -0.819 57.389 58.200 0.014 0.000 0.847 490 S CB 1.571 64.781 63.200 0.016 0.000 1.216 490 S HN -0.023 nan 8.310 nan 0.000 0.532 491 E N 0.218 120.424 120.200 0.009 0.000 2.333 491 E HA 0.022 4.373 4.350 0.001 0.000 0.198 491 E C 1.507 178.112 176.600 0.008 0.000 1.007 491 E CA 0.995 57.398 56.400 0.006 0.000 0.845 491 E CB -0.740 28.959 29.700 -0.003 0.000 0.766 491 E HN 0.633 nan 8.360 nan 0.000 0.507 492 L N 0.288 121.515 121.223 0.007 0.000 2.079 492 L HA -0.241 4.099 4.340 0.001 0.000 0.210 492 L C 2.298 179.157 176.870 -0.019 0.000 1.081 492 L CA 1.397 56.229 54.840 -0.012 0.000 0.752 492 L CB -0.603 41.444 42.059 -0.019 0.000 0.896 492 L HN 0.244 nan 8.230 nan 0.000 0.433 493 N N 0.482 119.200 118.700 0.031 0.000 2.094 493 N HA -0.196 4.544 4.740 0.001 0.000 0.191 493 N C 1.767 177.360 175.510 0.137 0.000 1.023 493 N CA 1.529 54.650 53.050 0.118 0.000 0.857 493 N CB -0.151 38.409 38.487 0.122 0.000 1.013 493 N HN 0.249 nan 8.380 nan 0.000 0.426 494 L N -0.509 120.754 121.223 0.066 0.000 2.240 494 L HA 0.015 4.355 4.340 0.001 0.000 0.211 494 L C 2.121 179.004 176.870 0.021 0.000 1.106 494 L CA 0.545 55.416 54.840 0.052 0.000 0.793 494 L CB -0.295 41.780 42.059 0.027 0.000 0.927 494 L HN 0.244 nan 8.230 nan 0.000 0.446 495 M N -0.608 118.988 119.600 -0.007 0.000 2.319 495 M HA -0.116 4.365 4.480 0.001 0.000 0.265 495 M C 1.827 178.089 176.300 -0.063 0.000 1.068 495 M CA 1.451 56.734 55.300 -0.028 0.000 1.118 495 M CB -0.106 32.478 32.600 -0.025 0.000 1.395 495 M HN 0.216 nan 8.290 nan 0.000 0.435 496 L N 0.339 121.486 121.223 -0.127 0.000 2.591 496 L HA 0.233 4.573 4.340 0.001 0.000 0.228 496 L C 1.025 177.808 176.870 -0.145 0.000 1.133 496 L CA -0.765 53.932 54.840 -0.239 0.000 0.880 496 L CB -0.465 41.275 42.059 -0.531 0.000 1.033 496 L HN 0.133 nan 8.230 nan 0.000 0.450 497 A N 0.842 123.671 122.820 0.016 0.000 2.581 497 A HA 0.278 4.598 4.320 0.001 0.000 0.257 497 A C 1.361 179.005 177.584 0.100 0.000 1.022 497 A CA 1.046 53.165 52.037 0.137 0.000 0.812 497 A CB -0.773 18.274 19.000 0.079 0.000 0.918 497 A HN 0.615 nan 8.150 nan 0.000 0.516 498 G N 2.230 111.122 108.800 0.153 0.000 2.866 498 G HA2 -0.352 3.608 3.960 0.001 0.000 0.274 498 G HA3 -0.352 3.608 3.960 0.001 0.000 0.274 498 G C 1.040 175.992 174.900 0.087 0.000 1.413 498 G CA 1.202 46.360 45.100 0.097 0.000 0.997 498 G HN 1.407 nan 8.290 nan 0.000 0.559 499 E N 1.414 121.647 120.200 0.056 0.000 2.065 499 E HA 0.002 4.353 4.350 0.001 0.000 0.201 499 E C 2.598 179.219 176.600 0.033 0.000 1.016 499 E CA 3.211 59.643 56.400 0.053 0.000 0.818 499 E CB -1.192 28.538 29.700 0.052 0.000 0.749 499 E HN 1.103 nan 8.360 nan 0.000 0.453 500 G N 0.035 108.822 108.800 -0.022 0.000 2.514 500 G HA2 -0.325 3.635 3.960 0.001 0.000 0.217 500 G HA3 -0.325 3.635 3.960 0.001 0.000 0.217 500 G C 1.519 176.363 174.900 -0.093 0.000 1.198 500 G CA 1.231 46.273 45.100 -0.096 0.000 0.780 500 G HN 0.372 nan 8.290 nan 0.000 0.565 501 H N 1.117 120.189 119.070 0.004 0.000 2.387 501 H HA -0.123 4.434 4.556 0.001 0.000 0.299 501 H C 3.058 178.392 175.328 0.010 0.000 1.099 501 H CA 1.810 57.859 56.048 0.003 0.000 1.315 501 H CB -0.454 29.309 29.762 0.002 0.000 1.380 501 H HN 0.534 nan 8.280 nan 0.000 0.513 502 S N 0.810 116.591 115.700 0.135 0.000 2.399 502 S HA -0.111 4.359 4.470 0.001 0.000 0.231 502 S C 2.131 176.771 174.600 0.066 0.000 1.022 502 S CA 0.705 58.957 58.200 0.088 0.000 0.983 502 S CB -0.112 63.133 63.200 0.075 0.000 0.803 502 S HN 0.327 nan 8.310 nan 0.000 0.480 503 R N 0.181 120.715 120.500 0.056 0.000 2.075 503 R HA 0.131 4.471 4.340 0.001 0.000 0.232 503 R C 2.350 178.673 176.300 0.039 0.000 1.126 503 R CA 1.204 57.334 56.100 0.050 0.000 0.963 503 R CB -0.609 29.721 30.300 0.049 0.000 0.858 503 R HN 0.395 nan 8.270 nan 0.000 0.435 504 L N 1.495 122.736 121.223 0.030 0.000 2.131 504 L HA -0.130 4.210 4.340 0.001 0.000 0.210 504 L C 1.868 178.763 176.870 0.042 0.000 1.092 504 L CA 1.836 56.692 54.840 0.026 0.000 0.759 504 L CB -0.253 41.822 42.059 0.025 0.000 0.903 504 L HN 0.052 nan 8.230 nan 0.000 0.435 505 E N -0.202 120.031 120.200 0.054 0.000 2.106 505 E HA -0.160 4.190 4.350 0.001 0.000 0.192 505 E C 2.350 178.971 176.600 0.035 0.000 0.984 505 E CA 0.832 57.260 56.400 0.045 0.000 0.806 505 E CB -0.188 29.541 29.700 0.048 0.000 0.750 505 E HN 0.533 nan 8.360 nan 0.000 0.458 506 R N 0.348 120.869 120.500 0.034 0.000 2.096 506 R HA -0.028 4.312 4.340 0.001 0.000 0.235 506 R C 2.574 178.878 176.300 0.008 0.000 1.127 506 R CA 0.600 56.713 56.100 0.023 0.000 0.968 506 R CB -0.337 29.982 30.300 0.031 0.000 0.861 506 R HN 0.177 nan 8.270 nan 0.000 0.440 507 L N 1.075 122.312 121.223 0.024 0.000 2.017 507 L HA -0.229 4.112 4.340 0.001 0.000 0.208 507 L C 2.185 179.095 176.870 0.066 0.000 1.073 507 L CA 1.684 56.547 54.840 0.039 0.000 0.745 507 L CB -0.231 41.863 42.059 0.059 0.000 0.894 507 L HN 0.200 nan 8.230 nan 0.000 0.432 508 K N -0.209 120.229 120.400 0.062 0.000 2.097 508 K HA -0.199 4.121 4.320 0.001 0.000 0.206 508 K C 2.036 178.665 176.600 0.049 0.000 1.049 508 K CA 1.235 57.566 56.287 0.073 0.000 0.933 508 K CB -0.074 32.453 32.500 0.044 0.000 0.717 508 K HN 0.303 nan 8.250 nan 0.000 0.442 509 K N 0.737 121.148 120.400 0.018 0.000 2.147 509 K HA -0.132 4.188 4.320 0.001 0.000 0.205 509 K C 2.230 178.814 176.600 -0.027 0.000 1.049 509 K CA 0.875 57.167 56.287 0.009 0.000 0.936 509 K CB -0.064 32.442 32.500 0.009 0.000 0.722 509 K HN 0.106 nan 8.250 nan 0.000 0.446 510 R N 0.376 120.805 120.500 -0.119 0.000 2.083 510 R HA -0.180 4.160 4.340 0.001 0.000 0.237 510 R C 1.639 177.731 176.300 -0.347 0.000 1.137 510 R CA 1.727 57.665 56.100 -0.270 0.000 0.951 510 R CB -0.206 29.784 30.300 -0.516 0.000 0.851 510 R HN 0.221 nan 8.270 nan 0.000 0.434 511 Y N 0.166 120.431 120.300 -0.058 0.000 2.457 511 Y HA 0.032 4.582 4.550 0.001 0.000 0.292 511 Y C 1.997 177.929 175.900 0.054 0.000 1.125 511 Y CA 0.463 58.495 58.100 -0.114 0.000 1.254 511 Y CB -0.038 38.283 38.460 -0.232 0.000 1.012 511 Y HN 0.053 nan 8.280 nan 0.000 0.555 512 I N -1.495 119.153 120.570 0.131 0.000 2.252 512 I HA -0.285 3.885 4.170 0.001 0.000 0.245 512 I C 2.604 178.810 176.117 0.148 0.000 1.102 512 I CA 1.322 62.700 61.300 0.130 0.000 1.385 512 I CB -0.363 37.687 38.000 0.083 0.000 1.064 512 I HN 0.074 nan 8.210 nan 0.000 0.414 513 S N -0.213 115.562 115.700 0.125 0.000 2.383 513 S HA -0.218 4.253 4.470 0.001 0.000 0.229 513 S C 2.106 176.823 174.600 0.196 0.000 1.030 513 S CA 1.409 59.686 58.200 0.129 0.000 1.002 513 S CB -0.302 62.950 63.200 0.085 0.000 0.829 513 S HN 0.334 nan 8.310 nan 0.000 0.467 514 Y N 1.500 121.818 120.300 0.030 0.000 2.165 514 Y HA -0.061 4.490 4.550 0.001 0.000 0.286 514 Y C 2.403 178.361 175.900 0.096 0.000 1.155 514 Y CA 1.416 59.557 58.100 0.068 0.000 1.164 514 Y CB -0.467 38.076 38.460 0.139 0.000 0.978 514 Y HN 0.301 nan 8.280 nan 0.000 0.513 515 M N -1.581 118.193 119.600 0.289 0.000 2.319 515 M HA -0.146 4.334 4.480 0.001 0.000 0.265 515 M C 1.736 178.205 176.300 0.281 0.000 1.068 515 M CA 0.990 56.434 55.300 0.240 0.000 1.118 515 M CB -0.249 32.490 32.600 0.233 0.000 1.395 515 M HN 0.045 nan 8.290 nan 0.000 0.435 516 V N -1.205 118.855 119.914 0.243 0.000 3.235 516 V HA -0.101 4.020 4.120 0.001 0.000 0.259 516 V C 2.278 178.531 176.094 0.266 0.000 1.133 516 V CA 1.195 63.663 62.300 0.280 0.000 1.128 516 V CB -0.005 31.906 31.823 0.147 0.000 0.757 516 V HN 0.448 nan 8.190 nan 0.000 0.469 517 S N 0.853 116.643 115.700 0.150 0.000 2.365 517 S HA -0.281 4.189 4.470 0.001 0.000 0.225 517 S C 1.702 176.329 174.600 0.044 0.000 1.039 517 S CA 2.305 60.542 58.200 0.062 0.000 1.033 517 S CB -0.340 62.840 63.200 -0.034 0.000 0.887 517 S HN 0.653 nan 8.310 nan 0.000 0.447 518 D N -0.179 120.225 120.400 0.008 0.000 2.178 518 D HA -0.062 4.579 4.640 0.001 0.000 0.201 518 D C 1.394 177.620 176.300 -0.124 0.000 0.980 518 D CA 0.897 54.828 54.000 -0.116 0.000 0.842 518 D CB -0.355 40.307 40.800 -0.229 0.000 0.948 518 D HN 0.635 nan 8.370 nan 0.000 0.472 519 W N 1.068 122.370 121.300 0.003 0.000 2.436 519 W HA 0.045 4.705 4.660 0.001 0.000 0.284 519 W C 2.449 178.988 176.519 0.033 0.000 1.225 519 W CA 0.270 57.630 57.345 0.025 0.000 1.271 519 W CB -0.111 29.373 29.460 0.039 0.000 1.114 519 W HN -0.100 nan 8.180 nan 0.000 0.559 520 R N 0.190 120.823 120.500 0.221 0.000 2.092 520 R HA -0.136 4.204 4.340 0.001 0.000 0.231 520 R C 1.527 177.869 176.300 0.070 0.000 1.119 520 R CA 1.616 57.792 56.100 0.127 0.000 0.970 520 R CB -0.592 29.756 30.300 0.078 0.000 0.864 520 R HN 0.127 nan 8.270 nan 0.000 0.440 521 D N 0.949 121.368 120.400 0.031 0.000 2.117 521 D HA -0.161 4.479 4.640 0.001 0.000 0.197 521 D C 1.826 178.131 176.300 0.008 0.000 0.987 521 D CA 0.801 54.796 54.000 -0.008 0.000 0.829 521 D CB -0.274 40.497 40.800 -0.047 0.000 0.961 521 D HN 0.036 nan 8.370 nan 0.000 0.460 522 L N 0.957 122.196 121.223 0.027 0.000 1.989 522 L HA -0.190 4.150 4.340 0.001 0.000 0.211 522 L C 2.372 179.333 176.870 0.151 0.000 1.071 522 L CA 2.453 57.336 54.840 0.071 0.000 0.749 522 L CB -1.268 40.840 42.059 0.082 0.000 0.890 522 L HN 0.186 nan 8.230 nan 0.000 0.431 523 T N -3.071 111.587 114.554 0.174 0.000 2.867 523 T HA -0.039 4.311 4.350 0.001 0.000 0.268 523 T C 1.875 176.589 174.700 0.023 0.000 1.057 523 T CA 0.909 63.089 62.100 0.134 0.000 1.136 523 T CB -0.857 68.097 68.868 0.144 0.000 0.874 523 T HN 0.388 nan 8.240 nan 0.000 0.466 524 A N 2.645 125.468 122.820 0.005 0.000 1.898 524 A HA -0.087 4.234 4.320 0.001 0.000 0.216 524 A C 2.411 179.949 177.584 -0.076 0.000 1.181 524 A CA 1.466 53.469 52.037 -0.056 0.000 0.620 524 A CB -0.746 18.226 19.000 -0.046 0.000 0.819 524 A HN 0.489 nan 8.150 nan 0.000 0.442 525 N N -0.120 118.558 118.700 -0.036 0.000 2.120 525 N HA -0.142 4.598 4.740 0.001 0.000 0.188 525 N C 1.594 177.065 175.510 -0.064 0.000 1.024 525 N CA 1.499 54.526 53.050 -0.038 0.000 0.852 525 N CB -0.581 37.901 38.487 -0.008 0.000 1.003 525 N HN 0.412 nan 8.380 nan 0.000 0.424 526 L N 0.998 122.181 121.223 -0.067 0.000 2.017 526 L HA 0.007 4.348 4.340 0.001 0.000 0.208 526 L C 2.284 179.015 176.870 -0.232 0.000 1.073 526 L CA 1.400 56.117 54.840 -0.206 0.000 0.745 526 L CB -0.582 41.315 42.059 -0.269 0.000 0.894 526 L HN 0.150 nan 8.230 nan 0.000 0.432 527 M N -1.041 118.448 119.600 -0.186 0.000 2.117 527 M HA -0.227 4.253 4.480 0.001 0.000 0.262 527 M C 1.642 177.782 176.300 -0.266 0.000 1.065 527 M CA 2.086 57.254 55.300 -0.220 0.000 1.114 527 M CB -0.283 32.139 32.600 -0.296 0.000 1.361 527 M HN 0.254 nan 8.290 nan 0.000 0.408 528 D N 0.144 120.404 120.400 -0.233 0.000 2.144 528 D HA -0.140 4.500 4.640 0.001 0.000 0.199 528 D C 2.184 178.477 176.300 -0.012 0.000 0.984 528 D CA 1.828 55.735 54.000 -0.155 0.000 0.834 528 D CB -0.306 40.429 40.800 -0.108 0.000 0.955 528 D HN 0.527 nan 8.370 nan 0.000 0.465 529 S N -0.200 115.486 115.700 -0.024 0.000 2.399 529 S HA -0.113 4.357 4.470 0.001 0.000 0.231 529 S C 2.138 176.800 174.600 0.104 0.000 1.022 529 S CA 0.970 59.182 58.200 0.020 0.000 0.983 529 S CB -0.522 62.659 63.200 -0.032 0.000 0.803 529 S HN 0.097 nan 8.310 nan 0.000 0.480 530 V N 0.714 120.717 119.914 0.148 0.000 2.323 530 V HA -0.022 4.098 4.120 0.001 0.000 0.244 530 V C 2.328 178.638 176.094 0.360 0.000 1.041 530 V CA 1.583 64.070 62.300 0.312 0.000 1.025 530 V CB -1.072 30.962 31.823 0.352 0.000 0.656 530 V HN 0.381 nan 8.190 nan 0.000 0.451 531 F N -0.154 119.827 119.950 0.051 0.000 2.069 531 F HA -0.175 4.352 4.527 0.001 0.000 0.298 531 F C 2.186 178.009 175.800 0.038 0.000 1.113 531 F CA 1.449 59.470 58.000 0.036 0.000 1.214 531 F CB -0.942 38.070 39.000 0.020 0.000 0.978 531 F HN 0.083 nan 8.300 nan 0.000 0.474 532 I N 0.319 121.035 120.570 0.244 0.000 2.423 532 I HA -0.283 3.887 4.170 0.001 0.000 0.254 532 I C 1.546 177.728 176.117 0.108 0.000 1.151 532 I CA 1.718 63.101 61.300 0.139 0.000 1.421 532 I CB -0.451 37.608 38.000 0.099 0.000 1.079 532 I HN 0.116 nan 8.210 nan 0.000 0.431 533 D N -1.260 119.219 120.400 0.132 0.000 2.368 533 D HA 0.141 4.781 4.640 0.001 0.000 0.218 533 D C 0.128 176.497 176.300 0.115 0.000 1.112 533 D CA 0.141 54.212 54.000 0.119 0.000 0.834 533 D CB 0.257 41.141 40.800 0.139 0.000 0.953 533 D HN 0.118 nan 8.370 nan 0.000 0.505 534 S N -0.569 115.179 115.700 0.079 0.000 2.327 534 S HA 0.198 4.669 4.470 0.001 0.000 0.203 534 S C 0.375 174.958 174.600 -0.029 0.000 1.326 534 S CA -0.536 57.677 58.200 0.021 0.000 1.248 534 S CB 1.131 64.326 63.200 -0.008 0.000 1.199 534 S HN 0.033 nan 8.310 nan 0.000 0.422 535 S N 0.538 116.233 115.700 -0.009 0.000 2.520 535 S HA 0.347 4.817 4.470 0.001 0.000 0.219 535 S C 1.214 175.802 174.600 -0.019 0.000 1.028 535 S CA 0.013 58.199 58.200 -0.023 0.000 0.921 535 S CB 0.794 63.990 63.200 -0.008 0.000 0.844 535 S HN 0.658 nan 8.310 nan 0.000 0.495 536 G N 1.153 109.947 108.800 -0.010 0.000 3.234 536 G HA2 0.465 4.426 3.960 0.001 0.000 0.159 536 G HA3 0.465 4.426 3.960 0.001 0.000 0.159 536 G C -0.831 174.061 174.900 -0.014 0.000 1.175 536 G CA -0.637 44.456 45.100 -0.010 0.000 0.900 536 G HN 0.139 nan 8.290 nan 0.000 0.621 537 K N 0.324 120.717 120.400 -0.011 0.000 2.276 537 K HA 0.190 4.511 4.320 0.001 0.000 0.259 537 K C -0.194 176.400 176.600 -0.011 0.000 1.001 537 K CA -0.274 56.004 56.287 -0.015 0.000 0.927 537 K CB 0.627 33.118 32.500 -0.014 0.000 0.969 537 K HN 0.245 nan 8.250 nan 0.000 0.490 538 K N 1.548 121.935 120.400 -0.021 0.000 2.436 538 K HA -0.035 4.285 4.320 0.001 0.000 0.282 538 K C -0.207 176.394 176.600 0.001 0.000 1.044 538 K CA 0.448 56.723 56.287 -0.020 0.000 1.028 538 K CB 0.388 32.858 32.500 -0.049 0.000 0.919 538 K HN 0.477 nan 8.250 nan 0.000 0.474 539 S N 3.685 119.411 115.700 0.044 0.000 2.573 539 S HA -0.003 4.467 4.470 0.001 0.000 0.297 539 S C 0.265 174.868 174.600 0.005 0.000 1.280 539 S CA 0.178 58.406 58.200 0.048 0.000 1.061 539 S CB 0.270 63.535 63.200 0.108 0.000 0.812 539 S HN 0.588 nan 8.310 nan 0.000 0.500 540 K N 2.013 122.402 120.400 -0.018 0.000 2.501 540 K HA 0.279 4.600 4.320 0.001 0.000 0.204 540 K C -0.594 175.976 176.600 -0.050 0.000 1.067 540 K CA -0.190 56.064 56.287 -0.054 0.000 1.060 540 K CB 0.589 33.062 32.500 -0.045 0.000 0.873 540 K HN 0.496 nan 8.250 nan 0.000 0.540 541 D N 1.308 121.692 120.400 -0.027 0.000 2.470 541 D HA 0.051 4.692 4.640 0.001 0.000 0.226 541 D C 0.389 176.683 176.300 -0.009 0.000 1.196 541 D CA 0.221 54.216 54.000 -0.008 0.000 0.979 541 D CB 0.508 41.315 40.800 0.011 0.000 1.059 541 D HN 0.047 nan 8.370 nan 0.000 0.515 542 K N 1.435 121.826 120.400 -0.015 0.000 2.074 542 K HA -0.176 4.145 4.320 0.001 0.000 0.209 542 K C 1.526 178.225 176.600 0.165 0.000 1.048 542 K CA 0.923 57.235 56.287 0.043 0.000 0.926 542 K CB 0.324 32.871 32.500 0.079 0.000 0.713 542 K HN 0.312 nan 8.250 nan 0.000 0.444 543 E N 0.773 121.039 120.200 0.111 0.000 2.077 543 E HA -0.206 4.144 4.350 0.001 0.000 0.193 543 E C 2.070 178.735 176.600 0.108 0.000 0.989 543 E CA 1.228 57.696 56.400 0.113 0.000 0.800 543 E CB -0.044 29.702 29.700 0.077 0.000 0.746 543 E HN 0.226 nan 8.360 nan 0.000 0.452 544 Q N 0.451 120.296 119.800 0.075 0.000 2.230 544 Q HA 0.007 4.348 4.340 0.001 0.000 0.202 544 Q C 2.042 178.078 176.000 0.059 0.000 0.963 544 Q CA 0.803 56.641 55.803 0.059 0.000 0.866 544 Q CB -0.114 28.644 28.738 0.034 0.000 0.931 544 Q HN 0.285 nan 8.270 nan 0.000 0.452 545 I N -0.260 120.347 120.570 0.061 0.000 2.233 545 I HA -0.238 3.933 4.170 0.001 0.000 0.243 545 I C 2.057 178.369 176.117 0.326 0.000 1.093 545 I CA 1.048 62.375 61.300 0.045 0.000 1.380 545 I CB -0.211 37.770 38.000 -0.032 0.000 1.067 545 I HN 0.109 nan 8.210 nan 0.000 0.413 546 K N 0.466 121.098 120.400 0.388 0.000 2.103 546 K HA -0.254 4.066 4.320 0.001 0.000 0.207 546 K C 2.044 178.834 176.600 0.317 0.000 1.048 546 K CA 1.589 58.092 56.287 0.361 0.000 0.930 546 K CB -0.166 32.455 32.500 0.202 0.000 0.716 546 K HN 0.137 nan 8.250 nan 0.000 0.444 547 E N 1.670 122.003 120.200 0.221 0.000 2.118 547 E HA -0.174 4.177 4.350 0.001 0.000 0.195 547 E C 1.490 178.211 176.600 0.201 0.000 0.992 547 E CA 1.585 58.090 56.400 0.176 0.000 0.804 547 E CB 0.108 29.878 29.700 0.116 0.000 0.741 547 E HN 0.161 nan 8.360 nan 0.000 0.458 548 K N -0.897 119.623 120.400 0.200 0.000 2.097 548 K HA -0.112 4.209 4.320 0.001 0.000 0.206 548 K C 2.018 178.794 176.600 0.295 0.000 1.049 548 K CA 1.350 57.737 56.287 0.166 0.000 0.933 548 K CB -0.272 32.276 32.500 0.079 0.000 0.717 548 K HN 0.169 nan 8.250 nan 0.000 0.442 549 F N 1.121 121.320 119.950 0.414 0.000 2.146 549 F HA -0.090 4.438 4.527 0.001 0.000 0.298 549 F C 2.654 178.706 175.800 0.419 0.000 1.096 549 F CA 1.104 59.422 58.000 0.529 0.000 1.275 549 F CB -0.194 39.041 39.000 0.393 0.000 1.008 549 F HN -0.032 nan 8.300 nan 0.000 0.480 550 R N 1.017 121.791 120.500 0.457 0.000 2.082 550 R HA -0.211 4.129 4.340 0.001 0.000 0.234 550 R C 2.135 178.584 176.300 0.249 0.000 1.136 550 R CA 2.025 58.302 56.100 0.295 0.000 0.935 550 R CB -0.257 30.162 30.300 0.198 0.000 0.842 550 R HN 0.171 nan 8.270 nan 0.000 0.430 551 K N -0.467 120.061 120.400 0.214 0.000 2.063 551 K HA -0.203 4.117 4.320 0.001 0.000 0.208 551 K C 1.975 178.678 176.600 0.173 0.000 1.048 551 K CA 1.774 58.151 56.287 0.151 0.000 0.928 551 K CB -0.372 32.196 32.500 0.112 0.000 0.713 551 K HN 0.183 nan 8.250 nan 0.000 0.442 552 F N 2.797 122.823 119.950 0.127 0.000 2.102 552 F HA -0.197 4.330 4.527 0.001 0.000 0.298 552 F C 1.723 177.660 175.800 0.227 0.000 1.105 552 F CA 1.417 59.498 58.000 0.135 0.000 1.239 552 F CB -0.276 38.804 39.000 0.135 0.000 0.991 552 F HN 0.013 nan 8.300 nan 0.000 0.474 553 N N 0.898 119.749 118.700 0.251 0.000 2.094 553 N HA -0.206 4.534 4.740 0.001 0.000 0.191 553 N C 1.772 177.348 175.510 0.110 0.000 1.023 553 N CA 1.906 55.098 53.050 0.235 0.000 0.857 553 N CB -0.582 38.127 38.487 0.370 0.000 1.013 553 N HN 0.534 nan 8.380 nan 0.000 0.426 554 E N -0.172 120.070 120.200 0.071 0.000 2.106 554 E HA -0.062 4.289 4.350 0.001 0.000 0.192 554 E C 2.049 178.610 176.600 -0.066 0.000 0.984 554 E CA 1.006 57.416 56.400 0.017 0.000 0.806 554 E CB -0.222 29.492 29.700 0.024 0.000 0.750 554 E HN 0.416 nan 8.360 nan 0.000 0.458 555 G N 0.725 109.458 108.800 -0.112 0.000 2.394 555 G HA2 -0.256 3.705 3.960 0.001 0.000 0.215 555 G HA3 -0.256 3.705 3.960 0.001 0.000 0.215 555 G C 1.336 176.068 174.900 -0.279 0.000 1.165 555 G CA 0.304 45.294 45.100 -0.183 0.000 0.784 555 G HN 0.205 nan 8.290 nan 0.000 0.535 556 F N 1.607 121.238 119.950 -0.532 0.000 2.075 556 F HA -0.014 4.514 4.527 0.001 0.000 0.297 556 F C 2.653 178.279 175.800 -0.289 0.000 1.113 556 F CA 2.106 59.795 58.000 -0.518 0.000 1.218 556 F CB -0.306 38.226 39.000 -0.781 0.000 0.984 556 F HN 0.238 nan 8.300 nan 0.000 0.472 557 E N -0.237 119.845 120.200 -0.197 0.000 2.118 557 E HA -0.273 4.077 4.350 0.001 0.000 0.195 557 E C 1.829 178.283 176.600 -0.243 0.000 0.992 557 E CA 1.607 57.892 56.400 -0.190 0.000 0.804 557 E CB -0.336 29.386 29.700 0.037 0.000 0.741 557 E HN 0.546 nan 8.360 nan 0.000 0.458 558 D N 0.201 120.468 120.400 -0.223 0.000 2.117 558 D HA -0.128 4.513 4.640 0.001 0.000 0.197 558 D C 1.846 177.966 176.300 -0.299 0.000 0.987 558 D CA 0.769 54.642 54.000 -0.212 0.000 0.829 558 D CB 0.060 40.753 40.800 -0.179 0.000 0.961 558 D HN 0.067 nan 8.370 nan 0.000 0.460 559 L N -0.403 120.543 121.223 -0.462 0.000 2.109 559 L HA -0.102 4.239 4.340 0.001 0.000 0.207 559 L C 2.346 178.919 176.870 -0.496 0.000 1.086 559 L CA 0.449 54.895 54.840 -0.656 0.000 0.760 559 L CB -0.069 41.243 42.059 -1.244 0.000 0.910 559 L HN 0.063 nan 8.230 nan 0.000 0.437 560 V N -1.175 118.452 119.914 -0.479 0.000 2.287 560 V HA -0.332 3.788 4.120 0.001 0.000 0.248 560 V C 2.656 178.652 176.094 -0.163 0.000 1.053 560 V CA 2.033 64.174 62.300 -0.266 0.000 1.027 560 V CB -0.451 31.103 31.823 -0.447 0.000 0.646 560 V HN 0.480 nan 8.190 nan 0.000 0.447 561 S N -0.508 115.080 115.700 -0.186 0.000 2.353 561 S HA -0.271 4.200 4.470 0.001 0.000 0.222 561 S C 2.072 176.588 174.600 -0.141 0.000 1.035 561 S CA 2.044 60.161 58.200 -0.138 0.000 1.025 561 S CB -0.223 62.901 63.200 -0.127 0.000 0.902 561 S HN 0.640 nan 8.310 nan 0.000 0.440 562 K N -0.103 120.211 120.400 -0.143 0.000 2.097 562 K HA -0.028 4.292 4.320 0.001 0.000 0.205 562 K C 2.212 178.759 176.600 -0.089 0.000 1.050 562 K CA 1.670 57.888 56.287 -0.115 0.000 0.938 562 K CB -0.527 31.937 32.500 -0.060 0.000 0.718 562 K HN 0.362 nan 8.250 nan 0.000 0.442 563 T N 1.576 116.129 114.554 -0.002 0.000 2.849 563 T HA -0.118 4.232 4.350 0.001 0.000 0.270 563 T C 1.496 176.184 174.700 -0.020 0.000 1.066 563 T CA 1.200 63.377 62.100 0.128 0.000 1.130 563 T CB -0.054 68.979 68.868 0.275 0.000 0.864 563 T HN 0.238 nan 8.240 nan 0.000 0.481 564 K N 0.954 121.290 120.400 -0.107 0.000 2.283 564 K HA -0.037 4.283 4.320 0.001 0.000 0.202 564 K C 2.310 178.743 176.600 -0.277 0.000 1.048 564 K CA 0.815 57.016 56.287 -0.143 0.000 0.948 564 K CB -0.052 32.378 32.500 -0.116 0.000 0.742 564 K HN 0.497 nan 8.250 nan 0.000 0.458 565 Q N -0.327 119.175 119.800 -0.498 0.000 2.472 565 Q HA -0.068 4.272 4.340 0.001 0.000 0.208 565 Q C -0.500 174.853 176.000 -1.079 0.000 0.958 565 Q CA 0.680 56.018 55.803 -0.775 0.000 0.932 565 Q CB 0.170 28.328 28.738 -0.966 0.000 1.007 565 Q HN 0.275 nan 8.270 nan 0.000 0.508 566 Y N 0.749 120.785 120.300 -0.441 0.000 2.447 566 Y HA 0.353 4.903 4.550 0.001 0.000 0.325 566 Y C -0.517 175.031 175.900 -0.586 0.000 0.976 566 Y CA -1.075 56.404 58.100 -1.034 0.000 1.280 566 Y CB 0.853 38.577 38.460 -1.228 0.000 1.104 566 Y HN -0.250 nan 8.280 nan 0.000 0.486 567 K N 4.849 125.137 120.400 -0.187 0.000 2.334 567 K HA 0.459 4.779 4.320 0.001 0.000 0.265 567 K C -0.703 176.155 176.600 0.431 0.000 1.039 567 K CA -0.409 55.959 56.287 0.134 0.000 0.920 567 K CB 1.323 33.869 32.500 0.077 0.000 1.160 567 K HN 0.574 nan 8.250 nan 0.000 0.451 568 L N 1.505 122.990 121.223 0.437 0.000 2.439 568 L HA 0.059 4.400 4.340 0.001 0.000 0.269 568 L C 1.180 178.158 176.870 0.180 0.000 1.179 568 L CA 0.105 55.156 54.840 0.352 0.000 0.828 568 L CB 1.168 43.385 42.059 0.264 0.000 1.106 568 L HN 0.694 nan 8.230 nan 0.000 0.467 569 S N -0.886 114.881 115.700 0.112 0.000 2.460 569 S HA -0.042 4.429 4.470 0.001 0.000 0.226 569 S C 0.391 175.019 174.600 0.046 0.000 1.057 569 S CA -0.078 58.164 58.200 0.070 0.000 0.948 569 S CB 0.047 63.275 63.200 0.047 0.000 0.822 569 S HN 0.722 nan 8.310 nan 0.000 0.512 570 D N 3.236 123.656 120.400 0.033 0.000 2.434 570 D HA 0.036 4.676 4.640 0.001 0.000 0.252 570 D C -1.479 174.839 176.300 0.031 0.000 1.185 570 D CA -1.370 52.643 54.000 0.022 0.000 0.886 570 D CB 1.330 42.135 40.800 0.008 0.000 1.148 570 D HN 0.081 nan 8.370 nan 0.000 0.483 571 P HA -0.174 nan 4.420 nan 0.000 0.217 571 P C 1.372 178.685 177.300 0.021 0.000 1.150 571 P CA 1.023 64.137 63.100 0.024 0.000 0.832 571 P CB 0.102 31.812 31.700 0.017 0.000 0.787 572 S N 0.084 115.794 115.700 0.016 0.000 2.383 572 S HA -0.104 4.366 4.470 0.001 0.000 0.227 572 S C 2.226 176.839 174.600 0.021 0.000 1.026 572 S CA 0.852 59.061 58.200 0.015 0.000 0.981 572 S CB -1.663 61.542 63.200 0.009 0.000 0.818 572 S HN 0.068 nan 8.310 nan 0.000 0.472 573 L N 0.937 122.177 121.223 0.028 0.000 2.093 573 L HA -0.032 4.309 4.340 0.001 0.000 0.208 573 L C 2.865 179.766 176.870 0.051 0.000 1.085 573 L CA 1.331 56.195 54.840 0.040 0.000 0.755 573 L CB -0.416 41.670 42.059 0.045 0.000 0.904 573 L HN 0.332 nan 8.230 nan 0.000 0.435 574 K N -0.349 120.082 120.400 0.051 0.000 2.057 574 K HA -0.125 4.195 4.320 0.001 0.000 0.206 574 K C 2.046 178.663 176.600 0.028 0.000 1.050 574 K CA 1.183 57.501 56.287 0.052 0.000 0.935 574 K CB -0.237 32.294 32.500 0.051 0.000 0.715 574 K HN 0.126 nan 8.250 nan 0.000 0.439 575 V N 1.431 121.357 119.914 0.021 0.000 2.295 575 V HA -0.250 3.870 4.120 0.001 0.000 0.246 575 V C 2.216 178.313 176.094 0.005 0.000 1.049 575 V CA 2.136 64.442 62.300 0.010 0.000 1.024 575 V CB -0.731 31.098 31.823 0.009 0.000 0.648 575 V HN 0.395 nan 8.190 nan 0.000 0.447 576 T N 0.319 114.880 114.554 0.013 0.000 2.746 576 T HA -0.103 4.248 4.350 0.001 0.000 0.267 576 T C 1.943 176.646 174.700 0.004 0.000 1.039 576 T CA 1.144 63.251 62.100 0.011 0.000 1.142 576 T CB -0.244 68.636 68.868 0.021 0.000 0.866 576 T HN 0.124 nan 8.240 nan 0.000 0.444 577 L N 1.309 122.540 121.223 0.015 0.000 2.046 577 L HA -0.062 4.279 4.340 0.001 0.000 0.208 577 L C 2.527 179.364 176.870 -0.054 0.000 1.077 577 L CA 1.760 56.601 54.840 0.002 0.000 0.747 577 L CB -0.963 41.123 42.059 0.044 0.000 0.896 577 L HN 0.338 nan 8.230 nan 0.000 0.432 578 K N -0.407 119.969 120.400 -0.041 0.000 2.026 578 K HA -0.154 4.166 4.320 0.001 0.000 0.208 578 K C 2.166 178.721 176.600 -0.076 0.000 1.048 578 K CA 1.805 58.052 56.287 -0.066 0.000 0.929 578 K CB 0.128 32.607 32.500 -0.034 0.000 0.713 578 K HN 0.110 nan 8.250 nan 0.000 0.439 579 S N 1.145 116.817 115.700 -0.046 0.000 2.356 579 S HA -0.113 4.357 4.470 0.001 0.000 0.223 579 S C 1.691 176.261 174.600 -0.051 0.000 1.032 579 S CA 1.316 59.493 58.200 -0.038 0.000 1.005 579 S CB -0.229 62.960 63.200 -0.018 0.000 0.867 579 S HN 0.373 nan 8.310 nan 0.000 0.449 580 E N 0.987 121.155 120.200 -0.054 0.000 2.106 580 E HA -0.025 4.325 4.350 0.001 0.000 0.192 580 E C 2.054 178.586 176.600 -0.113 0.000 0.984 580 E CA 0.684 57.051 56.400 -0.054 0.000 0.806 580 E CB -0.353 29.332 29.700 -0.027 0.000 0.750 580 E HN 0.522 nan 8.360 nan 0.000 0.458 581 I N 0.715 121.152 120.570 -0.222 0.000 2.202 581 I HA -0.218 3.952 4.170 0.001 0.000 0.242 581 I C 2.464 178.412 176.117 -0.281 0.000 1.091 581 I CA 0.852 61.892 61.300 -0.432 0.000 1.368 581 I CB -0.251 37.276 38.000 -0.788 0.000 1.058 581 I HN 0.020 nan 8.210 nan 0.000 0.410 582 I N 0.144 120.601 120.570 -0.189 0.000 2.226 582 I HA -0.267 3.903 4.170 0.001 0.000 0.245 582 I C 2.627 178.720 176.117 -0.040 0.000 1.100 582 I CA 1.197 62.440 61.300 -0.096 0.000 1.374 582 I CB -0.322 37.639 38.000 -0.065 0.000 1.057 582 I HN 0.131 nan 8.210 nan 0.000 0.413 583 S N 0.605 116.283 115.700 -0.037 0.000 2.400 583 S HA -0.157 4.313 4.470 0.001 0.000 0.232 583 S C 1.809 176.418 174.600 0.014 0.000 1.025 583 S CA 1.232 59.428 58.200 -0.006 0.000 0.993 583 S CB -0.205 62.992 63.200 -0.006 0.000 0.808 583 S HN 0.271 nan 8.310 nan 0.000 0.478 584 L N 0.763 121.992 121.223 0.009 0.000 2.102 584 L HA 0.155 4.495 4.340 0.001 0.000 0.202 584 L C 2.082 179.010 176.870 0.096 0.000 1.076 584 L CA 1.389 56.260 54.840 0.052 0.000 0.761 584 L CB -0.547 41.550 42.059 0.062 0.000 0.921 584 L HN 0.099 nan 8.230 nan 0.000 0.444 585 V N -0.795 119.180 119.914 0.102 0.000 2.346 585 V HA -0.189 3.931 4.120 0.001 0.000 0.244 585 V C 2.523 178.714 176.094 0.161 0.000 1.037 585 V CA 1.360 63.773 62.300 0.187 0.000 1.029 585 V CB -0.466 31.502 31.823 0.241 0.000 0.663 585 V HN 0.315 nan 8.190 nan 0.000 0.454 586 M N -0.445 119.218 119.600 0.104 0.000 2.086 586 M HA -0.050 4.430 4.480 0.001 0.000 0.261 586 M C 0.121 176.489 176.300 0.113 0.000 1.067 586 M CA 1.875 57.241 55.300 0.110 0.000 1.116 586 M CB -2.577 30.061 32.600 0.063 0.000 1.348 586 M HN 0.236 nan 8.290 nan 0.000 0.407 587 P HA -0.139 nan 4.420 nan 0.000 0.215 587 P C 1.956 179.304 177.300 0.081 0.000 1.153 587 P CA 1.279 64.421 63.100 0.071 0.000 0.853 587 P CB -0.198 31.535 31.700 0.054 0.000 0.788 588 M N -2.366 117.287 119.600 0.090 0.000 2.099 588 M HA -0.207 4.273 4.480 0.001 0.000 0.262 588 M C 2.175 178.529 176.300 0.090 0.000 1.067 588 M CA 1.794 57.141 55.300 0.077 0.000 1.124 588 M CB -0.609 32.026 32.600 0.057 0.000 1.353 588 M HN -0.142 nan 8.290 nan 0.000 0.410 589 Y N 1.392 121.691 120.300 -0.001 0.000 2.224 589 Y HA -0.229 4.321 4.550 0.001 0.000 0.289 589 Y C 1.965 177.945 175.900 0.133 0.000 1.146 589 Y CA 2.137 60.240 58.100 0.006 0.000 1.182 589 Y CB -0.261 38.158 38.460 -0.069 0.000 0.983 589 Y HN 0.377 nan 8.280 nan 0.000 0.524 590 E N -0.397 119.848 120.200 0.076 0.000 2.077 590 E HA -0.235 4.115 4.350 0.001 0.000 0.193 590 E C 2.255 178.879 176.600 0.040 0.000 0.989 590 E CA 1.317 57.742 56.400 0.042 0.000 0.800 590 E CB -0.155 29.586 29.700 0.068 0.000 0.746 590 E HN 0.497 nan 8.360 nan 0.000 0.452 591 R N -0.070 120.458 120.500 0.046 0.000 2.075 591 R HA -0.107 4.234 4.340 0.001 0.000 0.232 591 R C 2.250 178.576 176.300 0.042 0.000 1.126 591 R CA 1.185 57.309 56.100 0.041 0.000 0.963 591 R CB -0.345 29.987 30.300 0.053 0.000 0.858 591 R HN 0.148 nan 8.270 nan 0.000 0.435 592 F N 0.494 120.364 119.950 -0.133 0.000 2.102 592 F HA -0.235 4.292 4.527 0.001 0.000 0.298 592 F C 2.107 177.865 175.800 -0.070 0.000 1.105 592 F CA 1.205 59.115 58.000 -0.149 0.000 1.239 592 F CB -0.696 38.129 39.000 -0.293 0.000 0.991 592 F HN -0.022 nan 8.300 nan 0.000 0.474 593 Y N 0.172 120.204 120.300 -0.445 0.000 2.145 593 Y HA -0.200 4.351 4.550 0.001 0.000 0.286 593 Y C 2.871 178.687 175.900 -0.141 0.000 1.145 593 Y CA 2.104 60.016 58.100 -0.313 0.000 1.148 593 Y CB -0.950 37.288 38.460 -0.369 0.000 0.981 593 Y HN 0.177 nan 8.280 nan 0.000 0.507 594 S N 0.013 115.718 115.700 0.008 0.000 2.399 594 S HA -0.215 4.256 4.470 0.001 0.000 0.231 594 S C 2.257 176.750 174.600 -0.179 0.000 1.022 594 S CA 1.396 59.562 58.200 -0.056 0.000 0.983 594 S CB -0.486 62.722 63.200 0.013 0.000 0.803 594 S HN 0.602 nan 8.310 nan 0.000 0.480 595 R N -1.256 119.098 120.500 -0.243 0.000 2.115 595 R HA -0.027 4.314 4.340 0.001 0.000 0.230 595 R C 1.021 176.985 176.300 -0.560 0.000 1.111 595 R CA 1.588 57.428 56.100 -0.433 0.000 0.976 595 R CB -0.128 29.832 30.300 -0.567 0.000 0.870 595 R HN 0.600 nan 8.270 nan 0.000 0.445 596 Y N -0.361 119.800 120.300 -0.232 0.000 2.453 596 Y HA 0.134 4.684 4.550 0.001 0.000 0.247 596 Y C 1.696 177.443 175.900 -0.255 0.000 1.124 596 Y CA -0.335 57.642 58.100 -0.205 0.000 1.243 596 Y CB 0.566 38.958 38.460 -0.113 0.000 1.213 596 Y HN 0.025 nan 8.280 nan 0.000 0.523 597 K N -0.041 120.207 120.400 -0.253 0.000 2.103 597 K HA -0.183 4.138 4.320 0.001 0.000 0.207 597 K C 0.337 176.810 176.600 -0.213 0.000 1.048 597 K CA 2.111 58.162 56.287 -0.392 0.000 0.930 597 K CB -0.243 31.783 32.500 -0.791 0.000 0.716 597 K HN 0.091 nan 8.250 nan 0.000 0.444 598 D N 0.919 121.197 120.400 -0.205 0.000 2.323 598 D HA 0.048 4.688 4.640 0.001 0.000 0.239 598 D C 0.611 176.765 176.300 -0.242 0.000 1.129 598 D CA 0.268 54.167 54.000 -0.169 0.000 0.865 598 D CB 0.446 41.167 40.800 -0.131 0.000 0.913 598 D HN 0.244 nan 8.370 nan 0.000 0.517 599 S N -0.182 115.260 115.700 -0.429 0.000 2.496 599 S HA 0.047 4.518 4.470 0.001 0.000 0.224 599 S C 0.420 174.493 174.600 -0.878 0.000 0.996 599 S CA 0.237 58.030 58.200 -0.679 0.000 0.927 599 S CB 0.214 62.860 63.200 -0.923 0.000 0.774 599 S HN 0.126 nan 8.310 nan 0.000 0.524 600 F N 0.667 120.516 119.950 -0.168 0.000 2.538 600 F HA 0.510 5.037 4.527 0.001 0.000 0.325 600 F C 0.993 176.718 175.800 -0.126 0.000 1.066 600 F CA -1.572 56.294 58.000 -0.223 0.000 0.946 600 F CB 1.290 40.092 39.000 -0.332 0.000 1.199 600 F HN -0.302 nan 8.300 nan 0.000 0.473 601 K N 0.540 120.993 120.400 0.089 0.000 2.097 601 K HA 0.035 4.356 4.320 0.001 0.000 0.205 601 K C -0.202 176.448 176.600 0.083 0.000 1.050 601 K CA 1.358 57.681 56.287 0.060 0.000 0.938 601 K CB 0.070 32.602 32.500 0.052 0.000 0.718 601 K HN 0.535 nan 8.250 nan 0.000 0.442 602 N N 0.600 119.382 118.700 0.136 0.000 2.716 602 N HA 0.147 4.887 4.740 0.001 0.000 0.253 602 N C -2.521 173.081 175.510 0.154 0.000 1.170 602 N CA -1.255 51.864 53.050 0.115 0.000 0.807 602 N CB 1.796 40.336 38.487 0.087 0.000 1.183 602 N HN -0.046 nan 8.380 nan 0.000 0.524 603 P HA -0.180 nan 4.420 nan 0.000 0.218 603 P C 1.263 178.568 177.300 0.008 0.000 1.154 603 P CA 1.366 64.523 63.100 0.095 0.000 0.872 603 P CB 0.369 32.094 31.700 0.042 0.000 0.790 604 R N -0.247 120.268 120.500 0.026 0.000 2.185 604 R HA -0.165 4.175 4.340 0.001 0.000 0.247 604 R C 1.905 178.140 176.300 -0.108 0.000 1.159 604 R CA 1.341 57.432 56.100 -0.015 0.000 0.988 604 R CB -0.467 29.834 30.300 0.001 0.000 0.871 604 R HN 0.339 nan 8.270 nan 0.000 0.458 605 K N -0.980 119.329 120.400 -0.151 0.000 2.400 605 K HA -0.014 4.306 4.320 0.001 0.000 0.194 605 K C 0.554 176.698 176.600 -0.760 0.000 1.033 605 K CA 0.737 56.787 56.287 -0.395 0.000 1.021 605 K CB 0.351 32.598 32.500 -0.421 0.000 0.808 605 K HN 0.367 nan 8.250 nan 0.000 0.505 606 H N -1.296 117.509 119.070 -0.441 0.000 3.360 606 H HA 0.309 4.865 4.556 0.001 0.000 0.262 606 H C -0.391 174.580 175.328 -0.594 0.000 1.149 606 H CA -0.206 55.446 56.048 -0.660 0.000 1.181 606 H CB 1.066 29.978 29.762 -1.416 0.000 1.564 606 H HN -0.100 nan 8.280 nan 0.000 0.565 607 I N 1.380 121.731 120.570 -0.364 0.000 2.411 607 I HA 0.140 4.310 4.170 0.001 0.000 0.284 607 I C 0.972 177.022 176.117 -0.112 0.000 1.012 607 I CA -0.428 60.677 61.300 -0.325 0.000 1.119 607 I CB 2.210 39.950 38.000 -0.434 0.000 1.261 607 I HN 0.046 nan 8.210 nan 0.000 0.448 608 K N 5.085 125.434 120.400 -0.084 0.000 2.032 608 K HA -0.108 4.212 4.320 0.001 0.000 0.209 608 K C -0.406 176.018 176.600 -0.293 0.000 1.048 608 K CA 1.709 57.844 56.287 -0.253 0.000 0.927 608 K CB 0.180 32.433 32.500 -0.411 0.000 0.712 608 K HN 0.450 nan 8.250 nan 0.000 0.441 609 Y N 0.461 120.866 120.300 0.175 0.000 2.364 609 Y HA 0.198 4.748 4.550 0.001 0.000 0.340 609 Y C 0.168 176.181 175.900 0.189 0.000 0.975 609 Y CA -1.172 57.004 58.100 0.127 0.000 1.089 609 Y CB 1.735 40.189 38.460 -0.011 0.000 1.192 609 Y HN -0.022 nan 8.280 nan 0.000 0.454 610 T N -0.573 114.094 114.554 0.188 0.000 2.874 610 T HA 0.271 4.622 4.350 0.001 0.000 0.281 610 T C -2.147 172.510 174.700 -0.071 0.000 0.994 610 T CA -2.131 59.877 62.100 -0.153 0.000 1.015 610 T CB 1.622 70.426 68.868 -0.106 0.000 1.028 610 T HN 0.283 nan 8.240 nan 0.000 0.523 611 P HA -0.070 nan 4.420 nan 0.000 0.216 611 P C 1.024 178.320 177.300 -0.006 0.000 1.150 611 P CA 0.957 64.070 63.100 0.023 0.000 0.837 611 P CB 0.000 31.674 31.700 -0.045 0.000 0.786 612 D N -0.695 119.685 120.400 -0.033 0.000 2.178 612 D HA -0.150 4.490 4.640 0.001 0.000 0.201 612 D C 1.858 178.169 176.300 0.018 0.000 0.980 612 D CA 1.093 55.092 54.000 -0.002 0.000 0.842 612 D CB -0.380 40.421 40.800 0.002 0.000 0.948 612 D HN 0.329 nan 8.370 nan 0.000 0.472 613 E N -0.215 120.009 120.200 0.040 0.000 2.072 613 E HA -0.109 4.241 4.350 0.001 0.000 0.190 613 E C 2.011 178.634 176.600 0.039 0.000 0.982 613 E CA 0.164 56.622 56.400 0.096 0.000 0.803 613 E CB 0.002 29.821 29.700 0.199 0.000 0.755 613 E HN 0.079 nan 8.360 nan 0.000 0.453 614 L N 0.868 122.040 121.223 -0.085 0.000 2.046 614 L HA -0.172 4.168 4.340 0.001 0.000 0.208 614 L C 2.256 179.051 176.870 -0.125 0.000 1.077 614 L CA 1.780 56.418 54.840 -0.336 0.000 0.747 614 L CB -0.602 41.114 42.059 -0.571 0.000 0.896 614 L HN 0.075 nan 8.230 nan 0.000 0.432 615 T N -1.257 113.267 114.554 -0.051 0.000 2.720 615 T HA -0.207 4.143 4.350 0.001 0.000 0.268 615 T C 1.723 176.432 174.700 0.015 0.000 1.037 615 T CA 2.007 64.103 62.100 -0.005 0.000 1.144 615 T CB -0.464 68.408 68.868 0.006 0.000 0.864 615 T HN 0.443 nan 8.240 nan 0.000 0.444 616 T N 1.782 116.350 114.554 0.024 0.000 2.746 616 T HA -0.087 4.263 4.350 0.001 0.000 0.267 616 T C 2.166 176.897 174.700 0.052 0.000 1.039 616 T CA 1.009 63.132 62.100 0.039 0.000 1.142 616 T CB -0.569 68.329 68.868 0.050 0.000 0.866 616 T HN 0.164 nan 8.240 nan 0.000 0.444 617 V N 1.535 121.492 119.914 0.072 0.000 2.255 617 V HA -0.139 3.981 4.120 0.001 0.000 0.247 617 V C 2.530 178.682 176.094 0.096 0.000 1.051 617 V CA 1.547 63.911 62.300 0.108 0.000 1.018 617 V CB -0.697 31.239 31.823 0.188 0.000 0.641 617 V HN 0.438 nan 8.190 nan 0.000 0.445 618 L N 0.114 121.405 121.223 0.115 0.000 2.046 618 L HA -0.184 4.156 4.340 0.001 0.000 0.208 618 L C 2.518 179.391 176.870 0.006 0.000 1.077 618 L CA 1.541 56.414 54.840 0.055 0.000 0.747 618 L CB -0.755 41.328 42.059 0.040 0.000 0.896 618 L HN 0.420 nan 8.230 nan 0.000 0.432 619 N N -0.090 118.618 118.700 0.013 0.000 2.166 619 N HA -0.201 4.540 4.740 0.001 0.000 0.186 619 N C 1.859 177.374 175.510 0.008 0.000 1.019 619 N CA 1.228 54.281 53.050 0.004 0.000 0.856 619 N CB -0.162 38.331 38.487 0.010 0.000 0.993 619 N HN 0.478 nan 8.380 nan 0.000 0.426 620 Q N 0.071 119.882 119.800 0.018 0.000 2.167 620 Q HA -0.055 4.285 4.340 0.001 0.000 0.202 620 Q C 2.029 178.035 176.000 0.011 0.000 0.970 620 Q CA 0.599 56.412 55.803 0.017 0.000 0.855 620 Q CB -0.056 28.697 28.738 0.026 0.000 0.911 620 Q HN 0.211 nan 8.270 nan 0.000 0.438 621 L N 0.484 121.712 121.223 0.009 0.000 2.056 621 L HA -0.129 4.211 4.340 0.001 0.000 0.207 621 L C 2.183 179.054 176.870 0.001 0.000 1.078 621 L CA 1.467 56.310 54.840 0.004 0.000 0.749 621 L CB -0.524 41.538 42.059 0.005 0.000 0.901 621 L HN 0.157 nan 8.230 nan 0.000 0.433 622 V N -2.316 117.590 119.914 -0.013 0.000 2.453 622 V HA -0.037 4.083 4.120 0.001 0.000 0.247 622 V C 1.894 177.989 176.094 0.003 0.000 1.048 622 V CA 0.233 62.524 62.300 -0.015 0.000 1.049 622 V CB -1.043 30.757 31.823 -0.039 0.000 0.672 622 V HN 0.399 nan 8.190 nan 0.000 0.457 623 R N 0.000 120.503 120.500 0.004 0.000 2.786 623 R HA 0.000 4.340 4.340 0.001 0.000 0.208 623 R CA 0.000 56.106 56.100 0.010 0.000 0.921 623 R CB 0.000 30.306 30.300 0.010 0.000 0.687 623 R HN 0.000 nan 8.270 nan 0.000 0.535