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 1va6_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIPDVSQALA WLEKHPQALK GIQRGLERET LRVNADGTLA TTGHPEALGS DATA SEQUENCE ALTHKWITTD FAEALLEFIT PVDGDIEHML TFMRDLHRYT ARNMGDERMW DATA SEQUENCE PLSMPSYIAE GQDIELAQYG TSNTGRFKTL YREGLKNRYG ALMQTISGVH DATA SEQUENCE YNFSLPMAFW QAKSGDISGA DAKEKISAGY FRVIRNYYRF GWVIPYLFGA DATA SEQUENCE SPAISSSFLX XXXTSLPFEK TESGMYYLPY ATSLRLSDLG YTNKSQSNLG DATA SEQUENCE ITFNDLYEYV AGLKQAIKTP SEEYAKIGIE KDGKRLQINS NVLQIENELY DATA SEQUENCE APIRPKRVTR SGESPSDALL RGGIEYIEVR SLDINPFSPI GVDEQQVRFL DATA SEQUENCE DLFMVWCALA DAPEMSSSEL AcTRVNWNRV ILEGRKPGLT LGIGcETAQF DATA SEQUENCE PLPQVGKDLF RDLKRVAQTL DSINGGEAYQ KVCDELVACF DNPDLTFSAR DATA SEQUENCE ILRSMIDTXX XXTGKAFAEA YRNLLREEPL EILREEDFVA EREASERRQQ DATA SEQUENCE EMEAADTEPF AVWLE 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.225 176.300 -0.126 0.000 1.140 1 M CA 0.000 54.944 55.300 -0.593 0.000 0.988 1 M CB 0.000 32.023 32.600 -0.963 0.000 1.302 2 I N 4.436 124.918 120.570 -0.148 0.000 2.496 2 I HA 0.324 6.110 4.170 2.692 0.000 0.285 2 I C -1.923 174.177 176.117 -0.028 0.000 1.080 2 I CA -1.487 59.717 61.300 -0.160 0.000 1.404 2 I CB -0.122 37.742 38.000 -0.227 0.000 1.403 2 I HN 0.169 nan 8.210 nan 0.000 0.539 3 P HA 0.044 nan 4.420 nan 0.000 0.270 3 P C -0.444 176.889 177.300 0.055 0.000 1.223 3 P CA -0.282 62.858 63.100 0.067 0.000 0.785 3 P CB 0.470 32.215 31.700 0.074 0.000 0.923 4 D N 0.839 121.260 120.400 0.036 0.000 2.383 4 D HA 0.055 6.310 4.640 2.692 0.000 0.252 4 D C 0.098 176.401 176.300 0.005 0.000 1.166 4 D CA 0.135 54.153 54.000 0.029 0.000 0.879 4 D CB 0.348 41.161 40.800 0.023 0.000 1.164 4 D HN -0.060 nan 8.370 nan 0.000 0.462 5 V N 3.146 123.070 119.914 0.016 0.000 3.070 5 V HA 0.031 5.767 4.120 2.692 0.000 0.345 5 V C 1.867 177.964 176.094 0.006 0.000 1.403 5 V CA -0.176 62.106 62.300 -0.029 0.000 1.155 5 V CB 0.128 31.907 31.823 -0.073 0.000 1.140 5 V HN 0.477 nan 8.190 nan 0.000 0.505 6 S N 0.649 116.362 115.700 0.022 0.000 2.365 6 S HA -0.280 5.805 4.470 2.692 0.000 0.225 6 S C 1.987 176.610 174.600 0.038 0.000 1.039 6 S CA 1.979 60.199 58.200 0.034 0.000 1.033 6 S CB -0.133 63.085 63.200 0.029 0.000 0.887 6 S HN 0.696 nan 8.310 nan 0.000 0.447 7 Q N 0.552 120.365 119.800 0.023 0.000 2.050 7 Q HA -0.039 5.916 4.340 2.692 0.000 0.202 7 Q C 2.580 178.620 176.000 0.066 0.000 0.980 7 Q CA 1.401 57.224 55.803 0.033 0.000 0.840 7 Q CB -0.373 28.367 28.738 0.004 0.000 0.898 7 Q HN 0.601 nan 8.270 nan 0.000 0.424 8 A N 0.807 123.640 122.820 0.022 0.000 1.930 8 A HA -0.127 5.809 4.320 2.692 0.000 0.217 8 A C 2.060 179.761 177.584 0.193 0.000 1.175 8 A CA 0.986 53.053 52.037 0.049 0.000 0.627 8 A CB -0.548 18.407 19.000 -0.076 0.000 0.815 8 A HN 0.263 nan 8.150 nan 0.000 0.443 9 L N -0.970 120.323 121.223 0.117 0.000 2.156 9 L HA -0.126 5.829 4.340 2.692 0.000 0.208 9 L C 3.056 179.997 176.870 0.119 0.000 1.095 9 L CA 0.825 55.737 54.840 0.121 0.000 0.770 9 L CB -0.429 41.680 42.059 0.083 0.000 0.914 9 L HN 0.432 nan 8.230 nan 0.000 0.439 10 A N -0.375 122.515 122.820 0.116 0.000 1.902 10 A HA -0.284 5.652 4.320 2.692 0.000 0.217 10 A C 2.001 179.664 177.584 0.132 0.000 1.181 10 A CA 1.587 53.681 52.037 0.094 0.000 0.623 10 A CB -1.100 17.948 19.000 0.081 0.000 0.818 10 A HN 0.636 nan 8.150 nan 0.000 0.443 11 W N 0.496 121.803 121.300 0.012 0.000 2.338 11 W HA -0.200 6.075 4.660 2.692 0.000 0.304 11 W C 1.659 178.241 176.519 0.104 0.000 1.212 11 W CA 1.911 59.299 57.345 0.072 0.000 1.264 11 W CB -0.344 29.129 29.460 0.022 0.000 1.142 11 W HN 0.296 nan 8.180 nan 0.000 0.512 12 L N 1.427 122.710 121.223 0.099 0.000 2.046 12 L HA -0.152 5.804 4.340 2.692 0.000 0.208 12 L C 2.148 178.892 176.870 -0.210 0.000 1.077 12 L CA 2.354 57.088 54.840 -0.177 0.000 0.747 12 L CB -1.134 40.978 42.059 0.089 0.000 0.896 12 L HN 0.119 nan 8.230 nan 0.000 0.432 13 E N -0.732 119.403 120.200 -0.107 0.000 2.204 13 E HA -0.191 5.774 4.350 2.692 0.000 0.194 13 E C 1.903 178.393 176.600 -0.182 0.000 0.989 13 E CA 0.905 57.238 56.400 -0.112 0.000 0.824 13 E CB 0.015 29.682 29.700 -0.056 0.000 0.756 13 E HN 0.510 nan 8.360 nan 0.000 0.477 14 K N -0.255 119.991 120.400 -0.257 0.000 2.365 14 K HA 0.012 5.948 4.320 2.692 0.000 0.197 14 K C 0.104 176.293 176.600 -0.685 0.000 1.042 14 K CA 0.578 56.618 56.287 -0.411 0.000 0.987 14 K CB 0.257 32.505 32.500 -0.419 0.000 0.779 14 K HN 0.138 nan 8.250 nan 0.000 0.484 15 H N -0.617 118.152 119.070 -0.503 0.000 2.386 15 H HA 0.143 6.314 4.556 2.692 0.000 0.232 15 H C -2.168 172.888 175.328 -0.453 0.000 1.416 15 H CA -1.704 54.005 56.048 -0.565 0.000 1.285 15 H CB 0.908 30.066 29.762 -1.007 0.000 1.625 15 H HN 0.002 nan 8.280 nan 0.000 0.521 16 P HA -0.184 nan 4.420 nan 0.000 0.216 16 P C 1.329 178.562 177.300 -0.111 0.000 1.150 16 P CA 1.090 64.103 63.100 -0.146 0.000 0.837 16 P CB 0.445 32.078 31.700 -0.111 0.000 0.786 17 Q N -0.903 118.836 119.800 -0.101 0.000 2.515 17 Q HA 0.094 6.050 4.340 2.692 0.000 0.212 17 Q C 1.816 177.779 176.000 -0.060 0.000 0.970 17 Q CA 0.699 56.462 55.803 -0.066 0.000 0.941 17 Q CB -0.714 27.992 28.738 -0.053 0.000 0.998 17 Q HN 0.233 nan 8.270 nan 0.000 0.518 18 A N 0.064 122.825 122.820 -0.098 0.000 2.119 18 A HA -0.005 5.930 4.320 2.692 0.000 0.217 18 A C 1.808 179.443 177.584 0.086 0.000 1.153 18 A CA 0.547 52.552 52.037 -0.054 0.000 0.692 18 A CB -0.091 18.771 19.000 -0.230 0.000 0.799 18 A HN 0.316 nan 8.150 nan 0.000 0.458 19 L N -1.114 120.127 121.223 0.030 0.000 2.640 19 L HA 0.133 6.088 4.340 2.692 0.000 0.230 19 L C 0.798 177.661 176.870 -0.012 0.000 1.123 19 L CA -0.125 54.728 54.840 0.022 0.000 0.900 19 L CB 0.041 42.100 42.059 0.000 0.000 1.146 19 L HN 0.262 nan 8.230 nan 0.000 0.484 20 K N 0.913 121.305 120.400 -0.013 0.000 2.383 20 K HA 0.327 6.262 4.320 2.692 0.000 0.286 20 K C 0.801 177.390 176.600 -0.018 0.000 1.051 20 K CA 0.930 57.210 56.287 -0.012 0.000 0.974 20 K CB 0.436 32.929 32.500 -0.012 0.000 0.968 20 K HN 0.136 nan 8.250 nan 0.000 0.475 21 G N 4.000 112.788 108.800 -0.020 0.000 2.159 21 G HA2 -0.187 5.388 3.960 2.692 0.000 0.170 21 G HA3 -0.187 5.388 3.960 2.692 0.000 0.170 21 G C 0.086 174.946 174.900 -0.067 0.000 1.007 21 G CA -0.295 44.785 45.100 -0.034 0.000 0.672 21 G HN 0.607 nan 8.290 nan 0.000 0.507 22 I N 1.140 121.666 120.570 -0.072 0.000 2.880 22 I HA 0.106 5.891 4.170 2.692 0.000 0.296 22 I C 0.918 176.958 176.117 -0.128 0.000 1.220 22 I CA 0.901 62.115 61.300 -0.143 0.000 1.435 22 I CB 0.503 38.470 38.000 -0.055 0.000 1.339 22 I HN 0.216 nan 8.210 nan 0.000 0.583 23 Q N 6.289 125.958 119.800 -0.219 0.000 2.345 23 Q HA 0.692 6.647 4.340 2.692 0.000 0.268 23 Q C -1.026 174.852 176.000 -0.203 0.000 1.054 23 Q CA -0.953 54.744 55.803 -0.176 0.000 0.835 23 Q CB 2.688 31.322 28.738 -0.174 0.000 1.339 23 Q HN 0.547 nan 8.270 nan 0.000 0.447 24 R N -0.337 120.069 120.500 -0.156 0.000 2.774 24 R HA 0.801 6.756 4.340 2.692 0.000 0.272 24 R C -0.982 175.209 176.300 -0.181 0.000 1.000 24 R CA -0.964 55.030 56.100 -0.176 0.000 0.906 24 R CB 2.205 32.477 30.300 -0.046 0.000 1.227 24 R HN 0.739 nan 8.270 nan 0.000 0.468 25 G N 1.419 110.093 108.800 -0.210 0.000 2.753 25 G HA2 0.563 6.139 3.960 2.692 0.000 0.297 25 G HA3 0.563 6.139 3.960 2.692 0.000 0.297 25 G C -1.537 173.335 174.900 -0.047 0.000 1.430 25 G CA -0.580 44.439 45.100 -0.136 0.000 1.040 25 G HN 0.258 nan 8.290 nan 0.000 0.530 26 L N 1.154 122.405 121.223 0.046 0.000 2.329 26 L HA 0.544 6.500 4.340 2.692 0.000 0.279 26 L C -0.191 176.775 176.870 0.160 0.000 1.014 26 L CA -0.758 54.163 54.840 0.134 0.000 0.814 26 L CB 2.297 44.458 42.059 0.169 0.000 1.257 26 L HN 0.513 nan 8.230 nan 0.000 0.424 27 E N 3.625 123.932 120.200 0.179 0.000 2.171 27 E HA 0.489 6.455 4.350 2.692 0.000 0.271 27 E C -0.914 175.765 176.600 0.131 0.000 0.916 27 E CA -0.838 55.650 56.400 0.146 0.000 0.774 27 E CB 2.566 32.316 29.700 0.083 0.000 1.128 27 E HN 0.247 nan 8.360 nan 0.000 0.403 28 R N 2.936 123.539 120.500 0.172 0.000 2.532 28 R HA 0.263 6.218 4.340 2.692 0.000 0.297 28 R C -1.147 175.229 176.300 0.128 0.000 0.984 28 R CA -0.396 55.817 56.100 0.189 0.000 0.884 28 R CB 1.415 31.915 30.300 0.332 0.000 1.182 28 R HN 0.649 nan 8.270 nan 0.000 0.442 29 E N 1.213 121.448 120.200 0.058 0.000 2.204 29 E HA 0.361 6.326 4.350 2.692 0.000 0.276 29 E C -0.920 175.734 176.600 0.090 0.000 0.974 29 E CA -0.550 55.859 56.400 0.015 0.000 0.815 29 E CB 2.331 32.016 29.700 -0.026 0.000 1.119 29 E HN 0.485 nan 8.360 nan 0.000 0.393 30 T N 1.881 116.477 114.554 0.070 0.000 3.012 30 T HA 0.317 6.283 4.350 2.692 0.000 0.330 30 T C -1.446 173.336 174.700 0.137 0.000 1.321 30 T CA -0.676 61.521 62.100 0.162 0.000 1.067 30 T CB 0.586 69.594 68.868 0.233 0.000 1.235 30 T HN 0.303 nan 8.240 nan 0.000 0.479 31 L N 4.258 125.608 121.223 0.211 0.000 2.367 31 L HA 0.521 6.476 4.340 2.692 0.000 0.275 31 L C 1.053 178.025 176.870 0.171 0.000 1.129 31 L CA -0.633 54.303 54.840 0.160 0.000 0.839 31 L CB 0.617 42.745 42.059 0.115 0.000 1.133 31 L HN 0.508 nan 8.230 nan 0.000 0.453 32 R N 2.644 123.206 120.500 0.104 0.000 2.389 32 R HA 0.453 6.408 4.340 2.692 0.000 0.295 32 R C -0.741 175.611 176.300 0.087 0.000 1.075 32 R CA -0.311 55.848 56.100 0.099 0.000 1.005 32 R CB 1.097 31.432 30.300 0.059 0.000 0.987 32 R HN 0.508 nan 8.270 nan 0.000 0.452 33 V N -0.218 119.767 119.914 0.117 0.000 3.007 33 V HA 0.438 6.173 4.120 2.692 0.000 0.311 33 V C -0.322 175.825 176.094 0.088 0.000 1.120 33 V CA -1.436 60.920 62.300 0.093 0.000 0.980 33 V CB 2.127 34.035 31.823 0.143 0.000 1.033 33 V HN 0.622 nan 8.190 nan 0.000 0.429 34 N N 1.357 120.088 118.700 0.052 0.000 2.354 34 N HA 0.333 6.689 4.740 2.692 0.000 0.246 34 N C 1.355 176.902 175.510 0.062 0.000 1.285 34 N CA 0.313 53.388 53.050 0.040 0.000 0.925 34 N CB 1.541 40.033 38.487 0.008 0.000 1.174 34 N HN 1.051 nan 8.380 nan 0.000 0.478 35 A N 0.464 123.312 122.820 0.045 0.000 2.070 35 A HA -0.187 5.748 4.320 2.692 0.000 0.220 35 A C 1.034 178.643 177.584 0.043 0.000 1.159 35 A CA 1.620 53.688 52.037 0.053 0.000 0.656 35 A CB -0.421 18.598 19.000 0.031 0.000 0.800 35 A HN 0.763 nan 8.150 nan 0.000 0.453 36 D N -2.401 118.002 120.400 0.004 0.000 2.319 36 D HA 0.308 6.564 4.640 2.692 0.000 0.230 36 D C 1.144 177.384 176.300 -0.101 0.000 1.094 36 D CA 0.728 54.696 54.000 -0.053 0.000 0.856 36 D CB -0.598 40.149 40.800 -0.089 0.000 0.915 36 D HN 0.634 nan 8.370 nan 0.000 0.517 37 G N 0.207 109.030 108.800 0.038 0.000 2.205 37 G HA2 -0.314 5.262 3.960 2.692 0.000 0.261 37 G HA3 -0.314 5.262 3.960 2.692 0.000 0.261 37 G C 0.608 175.528 174.900 0.034 0.000 0.980 37 G CA 0.684 45.875 45.100 0.151 0.000 0.632 37 G HN 0.817 nan 8.290 nan 0.000 0.533 38 T N -0.965 113.558 114.554 -0.053 0.000 2.860 38 T HA 0.583 6.549 4.350 2.692 0.000 0.299 38 T C 0.624 175.300 174.700 -0.040 0.000 1.045 38 T CA -0.230 61.838 62.100 -0.053 0.000 1.071 38 T CB 1.907 70.735 68.868 -0.067 0.000 0.985 38 T HN 1.002 nan 8.240 nan 0.000 0.537 39 L N 2.292 123.486 121.223 -0.049 0.000 2.499 39 L HA 0.448 6.403 4.340 2.692 0.000 0.273 39 L C 0.702 177.562 176.870 -0.017 0.000 1.195 39 L CA 0.150 54.966 54.840 -0.039 0.000 0.882 39 L CB -0.666 41.370 42.059 -0.037 0.000 1.133 39 L HN 0.992 nan 8.230 nan 0.000 0.483 40 A N 3.240 126.059 122.820 -0.002 0.000 2.462 40 A HA 0.393 6.329 4.320 2.692 0.000 0.243 40 A C 1.061 178.640 177.584 -0.007 0.000 1.076 40 A CA 0.388 52.426 52.037 0.002 0.000 0.773 40 A CB -0.074 18.936 19.000 0.016 0.000 1.010 40 A HN 0.950 nan 8.150 nan 0.000 0.493 41 T N -1.159 113.388 114.554 -0.011 0.000 2.985 41 T HA 0.144 6.109 4.350 2.692 0.000 0.254 41 T C 0.884 175.572 174.700 -0.019 0.000 1.021 41 T CA 0.593 62.682 62.100 -0.017 0.000 0.957 41 T CB -0.869 67.988 68.868 -0.019 0.000 1.047 41 T HN 0.962 nan 8.240 nan 0.000 0.511 42 T N 0.696 115.241 114.554 -0.016 0.000 2.795 42 T HA 0.494 6.459 4.350 2.692 0.000 0.314 42 T C 0.995 175.685 174.700 -0.017 0.000 1.069 42 T CA -0.213 61.876 62.100 -0.018 0.000 1.071 42 T CB 0.446 69.303 68.868 -0.018 0.000 0.988 42 T HN 0.409 nan 8.240 nan 0.000 0.543 43 G N -0.677 108.113 108.800 -0.017 0.000 2.580 43 G HA2 0.335 5.910 3.960 2.692 0.000 0.278 43 G HA3 0.335 5.910 3.960 2.692 0.000 0.278 43 G C -0.434 174.478 174.900 0.019 0.000 1.212 43 G CA -0.773 44.323 45.100 -0.006 0.000 0.939 43 G HN 1.053 nan 8.290 nan 0.000 0.513 44 H N 0.818 119.844 119.070 -0.072 0.000 3.107 44 H HA 0.219 6.390 4.556 2.692 0.000 0.301 44 H C -1.830 173.476 175.328 -0.036 0.000 0.981 44 H CA -1.041 54.969 56.048 -0.064 0.000 1.443 44 H CB 0.130 29.840 29.762 -0.086 0.000 1.479 44 H HN 0.085 nan 8.280 nan 0.000 0.564 45 P HA -0.109 nan 4.420 nan 0.000 0.261 45 P C 0.613 177.787 177.300 -0.211 0.000 1.165 45 P CA 0.255 63.209 63.100 -0.243 0.000 0.759 45 P CB 0.648 32.201 31.700 -0.244 0.000 0.772 46 E N 2.799 122.943 120.200 -0.094 0.000 2.153 46 E HA -0.185 5.781 4.350 2.692 0.000 0.194 46 E C 1.912 178.517 176.600 0.008 0.000 0.988 46 E CA 1.549 57.931 56.400 -0.030 0.000 0.811 46 E CB -0.419 29.274 29.700 -0.011 0.000 0.746 46 E HN 0.554 nan 8.360 nan 0.000 0.466 47 A N 0.860 123.679 122.820 -0.000 0.000 2.125 47 A HA -0.094 5.841 4.320 2.692 0.000 0.219 47 A C 2.142 179.840 177.584 0.191 0.000 1.156 47 A CA 0.735 52.832 52.037 0.100 0.000 0.671 47 A CB -0.429 18.592 19.000 0.035 0.000 0.794 47 A HN 0.172 nan 8.150 nan 0.000 0.459 48 L N -1.609 119.643 121.223 0.050 0.000 2.558 48 L HA 0.251 6.207 4.340 2.692 0.000 0.225 48 L C 1.650 178.619 176.870 0.165 0.000 1.128 48 L CA 0.235 55.101 54.840 0.045 0.000 0.868 48 L CB -1.016 40.907 42.059 -0.228 0.000 1.006 48 L HN 0.576 nan 8.230 nan 0.000 0.454 49 G N 0.515 109.410 108.800 0.158 0.000 2.547 49 G HA2 -0.336 5.240 3.960 2.692 0.000 0.271 49 G HA3 -0.336 5.240 3.960 2.692 0.000 0.271 49 G C 0.013 175.054 174.900 0.234 0.000 1.209 49 G CA 0.030 45.250 45.100 0.200 0.000 0.959 49 G HN 0.254 nan 8.290 nan 0.000 0.563 50 S N 0.754 116.585 115.700 0.219 0.000 2.474 50 S HA 0.574 6.660 4.470 2.692 0.000 0.276 50 S C 1.436 176.183 174.600 0.245 0.000 1.227 50 S CA 0.630 58.948 58.200 0.197 0.000 1.050 50 S CB 0.979 64.257 63.200 0.130 0.000 0.939 50 S HN 1.965 nan 8.310 nan 0.000 0.490 51 A N 5.156 128.096 122.820 0.200 0.000 2.016 51 A HA 0.061 5.996 4.320 2.692 0.000 0.217 51 A C 1.830 179.571 177.584 0.260 0.000 1.162 51 A CA 0.640 52.766 52.037 0.148 0.000 0.662 51 A CB -0.516 18.386 19.000 -0.163 0.000 0.812 51 A HN 0.802 nan 8.150 nan 0.000 0.450 52 L N 0.474 121.873 121.223 0.294 0.000 2.131 52 L HA -0.095 5.860 4.340 2.692 0.000 0.210 52 L C 2.107 179.006 176.870 0.047 0.000 1.092 52 L CA 2.845 57.767 54.840 0.137 0.000 0.759 52 L CB -0.395 41.744 42.059 0.133 0.000 0.903 52 L HN 0.546 nan 8.230 nan 0.000 0.435 53 T N -5.971 108.631 114.554 0.080 0.000 3.041 53 T HA 0.097 6.062 4.350 2.692 0.000 0.276 53 T C 0.821 175.525 174.700 0.007 0.000 0.948 53 T CA -0.416 61.699 62.100 0.023 0.000 0.885 53 T CB -0.673 68.192 68.868 -0.004 0.000 1.175 53 T HN 0.268 nan 8.240 nan 0.000 0.529 54 H N 2.337 121.404 119.070 -0.005 0.000 3.001 54 H HA 0.221 6.393 4.556 2.693 0.000 0.334 54 H C 0.960 176.231 175.328 -0.096 0.000 1.034 54 H CA 0.752 56.771 56.048 -0.048 0.000 1.420 54 H CB 1.120 30.915 29.762 0.055 0.000 1.405 54 H HN 0.255 nan 8.280 nan 0.000 0.593 55 K N 3.260 123.446 120.400 -0.357 0.000 2.057 55 K HA -0.120 5.816 4.320 2.692 0.000 0.206 55 K C 1.448 178.109 176.600 0.103 0.000 1.050 55 K CA 1.348 57.466 56.287 -0.283 0.000 0.935 55 K CB 0.255 32.292 32.500 -0.772 0.000 0.715 55 K HN 0.625 nan 8.250 nan 0.000 0.439 56 W N 0.027 121.638 121.300 0.518 0.000 2.792 56 W HA 0.342 6.617 4.660 2.692 0.000 0.262 56 W C 0.611 177.355 176.519 0.375 0.000 1.212 56 W CA -0.189 57.422 57.345 0.443 0.000 1.433 56 W CB 0.205 29.972 29.460 0.512 0.000 1.004 56 W HN -0.173 nan 8.180 nan 0.000 0.608 57 I N 0.206 121.046 120.570 0.450 0.000 2.582 57 I HA 0.537 6.323 4.170 2.692 0.000 0.292 57 I C 0.121 176.282 176.117 0.074 0.000 1.066 57 I CA -0.183 61.228 61.300 0.184 0.000 1.053 57 I CB 2.421 40.494 38.000 0.122 0.000 1.241 57 I HN -0.359 nan 8.210 nan 0.000 0.421 58 T N 2.216 116.807 114.554 0.062 0.000 2.630 58 T HA 0.570 6.536 4.350 2.692 0.000 0.300 58 T C -1.312 173.334 174.700 -0.089 0.000 1.261 58 T CA -0.179 61.937 62.100 0.027 0.000 1.060 58 T CB 1.700 70.628 68.868 0.101 0.000 1.670 58 T HN 0.775 nan 8.240 nan 0.000 0.473 59 T N -0.254 114.246 114.554 -0.088 0.000 2.907 59 T HA 0.691 6.657 4.350 2.692 0.000 0.292 59 T C -0.129 174.613 174.700 0.069 0.000 1.043 59 T CA -0.549 61.493 62.100 -0.096 0.000 1.003 59 T CB 2.032 70.736 68.868 -0.272 0.000 1.084 59 T HN 0.612 nan 8.240 nan 0.000 0.483 60 D N -0.180 120.259 120.400 0.065 0.000 2.772 60 D HA 0.319 6.575 4.640 2.692 0.000 0.255 60 D C 1.258 177.684 176.300 0.210 0.000 1.206 60 D CA -0.597 53.493 54.000 0.151 0.000 1.126 60 D CB 0.076 40.948 40.800 0.120 0.000 1.012 60 D HN 0.448 nan 8.370 nan 0.000 0.322 61 F N 0.882 120.893 119.950 0.102 0.000 2.113 61 F HA 0.267 6.411 4.527 2.694 0.000 0.297 61 F C 0.529 176.363 175.800 0.057 0.000 1.103 61 F CA 1.161 59.223 58.000 0.103 0.000 1.248 61 F CB -0.424 38.636 39.000 0.101 0.000 0.999 61 F HN 0.116 nan 8.300 nan 0.000 0.475 62 A N -0.112 122.599 122.820 -0.183 0.000 2.299 62 A HA 0.395 6.330 4.320 2.692 0.000 0.332 62 A C 0.954 178.429 177.584 -0.183 0.000 1.131 62 A CA -0.015 51.834 52.037 -0.314 0.000 0.844 62 A CB 0.909 19.883 19.000 -0.043 0.000 1.251 62 A HN 0.348 nan 8.150 nan 0.000 0.486 63 E N 0.698 120.776 120.200 -0.202 0.000 2.208 63 E HA -0.013 5.952 4.350 2.692 0.000 0.193 63 E C 1.500 178.061 176.600 -0.065 0.000 0.988 63 E CA 1.782 58.079 56.400 -0.171 0.000 0.828 63 E CB -0.085 29.517 29.700 -0.164 0.000 0.763 63 E HN 0.688 nan 8.360 nan 0.000 0.478 64 A N -0.025 122.773 122.820 -0.037 0.000 2.251 64 A HA 0.139 6.074 4.320 2.692 0.000 0.209 64 A C 0.693 178.294 177.584 0.027 0.000 1.187 64 A CA -0.159 51.883 52.037 0.008 0.000 0.823 64 A CB -0.066 18.939 19.000 0.010 0.000 0.846 64 A HN 0.247 nan 8.150 nan 0.000 0.486 65 L N 1.602 122.837 121.223 0.020 0.000 2.358 65 L HA 0.388 6.344 4.340 2.692 0.000 0.274 65 L C -0.149 176.710 176.870 -0.018 0.000 1.136 65 L CA -0.523 54.341 54.840 0.039 0.000 0.970 65 L CB -0.714 41.406 42.059 0.101 0.000 1.314 65 L HN 0.260 nan 8.230 nan 0.000 0.427 66 L N 2.918 124.105 121.223 -0.060 0.000 2.483 66 L HA 0.155 6.111 4.340 2.692 0.000 0.275 66 L C 0.455 177.160 176.870 -0.275 0.000 1.220 66 L CA 0.385 55.105 54.840 -0.200 0.000 0.833 66 L CB 0.425 42.258 42.059 -0.376 0.000 1.102 66 L HN 0.567 nan 8.230 nan 0.000 0.490 67 E N 1.300 121.293 120.200 -0.345 0.000 2.263 67 E HA 0.401 6.366 4.350 2.692 0.000 0.268 67 E C -1.673 174.752 176.600 -0.292 0.000 0.884 67 E CA -0.634 55.613 56.400 -0.254 0.000 0.766 67 E CB 1.167 30.828 29.700 -0.066 0.000 1.196 67 E HN 0.211 nan 8.360 nan 0.000 0.416 68 F N 4.351 124.348 119.950 0.078 0.000 2.420 68 F HA 0.514 6.656 4.527 2.691 0.000 0.342 68 F C 0.070 175.968 175.800 0.163 0.000 1.113 68 F CA -0.618 57.454 58.000 0.120 0.000 1.059 68 F CB 1.031 40.062 39.000 0.051 0.000 1.128 68 F HN 0.315 nan 8.300 nan 0.000 0.475 69 I N 2.396 123.209 120.570 0.405 0.000 2.468 69 I HA 0.257 6.043 4.170 2.692 0.000 0.285 69 I C -0.302 175.992 176.117 0.295 0.000 1.039 69 I CA -0.788 60.690 61.300 0.297 0.000 1.074 69 I CB 2.106 40.252 38.000 0.244 0.000 1.228 69 I HN 0.602 nan 8.210 nan 0.000 0.436 70 T N 3.659 118.312 114.554 0.166 0.000 2.897 70 T HA 0.457 6.423 4.350 2.692 0.000 0.294 70 T C -2.315 172.321 174.700 -0.106 0.000 1.004 70 T CA -1.608 60.476 62.100 -0.027 0.000 1.106 70 T CB 0.907 69.743 68.868 -0.054 0.000 0.949 70 T HN 0.274 nan 8.240 nan 0.000 0.520 71 P HA 0.172 nan 4.420 nan 0.000 0.275 71 P C 0.338 177.520 177.300 -0.196 0.000 1.227 71 P CA -0.606 62.395 63.100 -0.164 0.000 0.781 71 P CB 0.700 32.317 31.700 -0.137 0.000 0.906 72 V N 2.483 122.306 119.914 -0.152 0.000 2.720 72 V HA -0.013 5.722 4.120 2.692 0.000 0.307 72 V C 0.077 176.083 176.094 -0.146 0.000 1.071 72 V CA 1.186 63.384 62.300 -0.169 0.000 1.199 72 V CB -0.487 31.221 31.823 -0.191 0.000 0.900 72 V HN 0.797 nan 8.190 nan 0.000 0.494 73 D N 2.934 123.256 120.400 -0.130 0.000 2.623 73 D HA 0.644 6.899 4.640 2.692 0.000 0.241 73 D C 0.372 176.627 176.300 -0.075 0.000 1.241 73 D CA 0.104 54.041 54.000 -0.104 0.000 0.788 73 D CB 1.819 42.572 40.800 -0.078 0.000 1.413 73 D HN 0.579 nan 8.370 nan 0.000 0.429 74 G N 0.643 109.404 108.800 -0.066 0.000 3.192 74 G HA2 0.128 5.703 3.960 2.692 0.000 0.239 74 G HA3 0.128 5.703 3.960 2.692 0.000 0.239 74 G C -0.278 174.622 174.900 0.001 0.000 1.084 74 G CA -0.148 44.931 45.100 -0.035 0.000 0.784 74 G HN 0.414 nan 8.290 nan 0.000 0.540 75 D N 0.622 121.023 120.400 0.001 0.000 2.303 75 D HA 0.314 6.569 4.640 2.692 0.000 0.236 75 D C 1.085 177.437 176.300 0.087 0.000 1.068 75 D CA -0.530 53.495 54.000 0.042 0.000 0.830 75 D CB 1.682 42.498 40.800 0.027 0.000 1.109 75 D HN -0.021 nan 8.370 nan 0.000 0.496 76 I N 2.941 123.562 120.570 0.085 0.000 2.142 76 I HA -0.289 5.497 4.170 2.692 0.000 0.240 76 I C 1.872 178.036 176.117 0.077 0.000 1.078 76 I CA 1.155 62.506 61.300 0.085 0.000 1.343 76 I CB 0.112 38.150 38.000 0.064 0.000 1.046 76 I HN 0.428 nan 8.210 nan 0.000 0.405 77 E N -0.123 120.116 120.200 0.066 0.000 2.051 77 E HA -0.269 5.696 4.350 2.692 0.000 0.192 77 E C 2.097 178.741 176.600 0.074 0.000 0.991 77 E CA 1.230 57.660 56.400 0.050 0.000 0.799 77 E CB -0.455 29.269 29.700 0.039 0.000 0.748 77 E HN 0.458 nan 8.360 nan 0.000 0.449 78 H N 0.447 119.529 119.070 0.020 0.000 2.290 78 H HA -0.140 6.031 4.556 2.692 0.000 0.298 78 H C 2.111 177.475 175.328 0.060 0.000 1.087 78 H CA 1.966 58.035 56.048 0.034 0.000 1.291 78 H CB -0.233 29.541 29.762 0.021 0.000 1.369 78 H HN 0.245 nan 8.280 nan 0.000 0.492 79 M N 0.275 119.981 119.600 0.178 0.000 2.080 79 M HA -0.174 5.922 4.480 2.692 0.000 0.260 79 M C 2.161 178.513 176.300 0.087 0.000 1.068 79 M CA 1.590 56.956 55.300 0.111 0.000 1.109 79 M CB -0.110 32.540 32.600 0.083 0.000 1.342 79 M HN 0.251 nan 8.290 nan 0.000 0.405 80 L N -0.647 120.611 121.223 0.059 0.000 2.141 80 L HA -0.152 5.803 4.340 2.692 0.000 0.209 80 L C 2.310 179.174 176.870 -0.010 0.000 1.094 80 L CA 1.356 56.213 54.840 0.028 0.000 0.763 80 L CB -0.867 41.198 42.059 0.009 0.000 0.908 80 L HN 0.359 nan 8.230 nan 0.000 0.437 81 T N -0.389 114.145 114.554 -0.034 0.000 2.777 81 T HA -0.191 5.775 4.350 2.692 0.000 0.266 81 T C 1.617 176.256 174.700 -0.101 0.000 1.040 81 T CA 1.188 63.236 62.100 -0.087 0.000 1.141 81 T CB -0.300 68.496 68.868 -0.121 0.000 0.868 81 T HN 0.169 nan 8.240 nan 0.000 0.444 82 F N 1.557 121.356 119.950 -0.252 0.000 2.126 82 F HA -0.121 6.021 4.527 2.692 0.000 0.299 82 F C 2.276 177.992 175.800 -0.141 0.000 1.096 82 F CA 1.339 59.187 58.000 -0.254 0.000 1.255 82 F CB -0.377 38.455 39.000 -0.280 0.000 0.997 82 F HN 0.040 nan 8.300 nan 0.000 0.479 83 M N 0.365 120.086 119.600 0.201 0.000 2.117 83 M HA -0.167 5.928 4.480 2.692 0.000 0.262 83 M C 2.277 178.617 176.300 0.067 0.000 1.065 83 M CA 1.721 57.121 55.300 0.167 0.000 1.114 83 M CB -0.546 32.146 32.600 0.154 0.000 1.361 83 M HN 0.074 nan 8.290 nan 0.000 0.408 84 R N -0.262 120.205 120.500 -0.055 0.000 2.092 84 R HA -0.140 5.815 4.340 2.692 0.000 0.231 84 R C 1.621 177.866 176.300 -0.091 0.000 1.119 84 R CA 1.810 57.829 56.100 -0.135 0.000 0.970 84 R CB -0.303 29.901 30.300 -0.160 0.000 0.864 84 R HN 0.393 nan 8.270 nan 0.000 0.440 85 D N 0.335 120.663 120.400 -0.120 0.000 2.123 85 D HA -0.177 6.079 4.640 2.692 0.000 0.196 85 D C 1.810 178.115 176.300 0.009 0.000 0.992 85 D CA 1.171 55.114 54.000 -0.095 0.000 0.833 85 D CB -0.125 40.531 40.800 -0.240 0.000 0.954 85 D HN 0.240 nan 8.370 nan 0.000 0.455 86 L N -0.282 120.927 121.223 -0.023 0.000 2.083 86 L HA -0.197 5.759 4.340 2.692 0.000 0.209 86 L C 2.297 179.003 176.870 -0.272 0.000 1.083 86 L CA 1.171 56.033 54.840 0.037 0.000 0.752 86 L CB -0.475 41.605 42.059 0.035 0.000 0.899 86 L HN 0.136 nan 8.230 nan 0.000 0.433 87 H N -0.393 118.357 119.070 -0.533 0.000 2.326 87 H HA -0.067 6.104 4.556 2.692 0.000 0.301 87 H C 2.450 177.656 175.328 -0.203 0.000 1.081 87 H CA 1.311 57.059 56.048 -0.499 0.000 1.334 87 H CB -0.049 29.468 29.762 -0.409 0.000 1.385 87 H HN 0.090 nan 8.280 nan 0.000 0.504 88 R N -0.589 119.897 120.500 -0.025 0.000 2.103 88 R HA -0.233 5.723 4.340 2.692 0.000 0.242 88 R C 1.987 178.242 176.300 -0.075 0.000 1.142 88 R CA 1.917 57.992 56.100 -0.042 0.000 0.960 88 R CB -0.464 29.812 30.300 -0.041 0.000 0.858 88 R HN 0.386 nan 8.270 nan 0.000 0.439 89 Y N 0.854 120.982 120.300 -0.286 0.000 2.263 89 Y HA -0.116 6.049 4.550 2.692 0.000 0.292 89 Y C 2.155 177.875 175.900 -0.300 0.000 1.130 89 Y CA 1.554 59.380 58.100 -0.458 0.000 1.179 89 Y CB -0.095 37.651 38.460 -1.190 0.000 0.998 89 Y HN -0.071 nan 8.280 nan 0.000 0.532 90 T N 0.345 114.814 114.554 -0.143 0.000 2.857 90 T HA -0.085 5.881 4.350 2.692 0.000 0.266 90 T C 2.052 176.689 174.700 -0.104 0.000 1.048 90 T CA 1.158 63.209 62.100 -0.082 0.000 1.139 90 T CB -0.579 68.396 68.868 0.178 0.000 0.874 90 T HN 0.437 nan 8.240 nan 0.000 0.455 91 A N 1.366 124.149 122.820 -0.063 0.000 2.121 91 A HA -0.001 5.934 4.320 2.692 0.000 0.218 91 A C 2.200 179.729 177.584 -0.092 0.000 1.154 91 A CA 0.929 52.946 52.037 -0.035 0.000 0.679 91 A CB -0.294 18.709 19.000 0.006 0.000 0.795 91 A HN 0.343 nan 8.150 nan 0.000 0.458 92 R N -0.544 119.848 120.500 -0.181 0.000 2.334 92 R HA 0.156 6.111 4.340 2.692 0.000 0.216 92 R C -0.217 175.926 176.300 -0.263 0.000 0.905 92 R CA 0.088 56.068 56.100 -0.200 0.000 1.064 92 R CB 0.194 30.366 30.300 -0.213 0.000 1.046 92 R HN 0.416 nan 8.270 nan 0.000 0.508 93 N N 0.784 119.304 118.700 -0.300 0.000 2.466 93 N HA 0.103 6.459 4.740 2.692 0.000 0.272 93 N C 0.155 175.558 175.510 -0.180 0.000 1.455 93 N CA 0.087 52.963 53.050 -0.290 0.000 0.875 93 N CB 1.084 39.281 38.487 -0.483 0.000 1.372 93 N HN 0.180 nan 8.380 nan 0.000 0.492 94 M N -2.392 117.136 119.600 -0.120 0.000 2.875 94 M HA 0.353 6.448 4.480 2.692 0.000 0.403 94 M C 0.680 176.951 176.300 -0.048 0.000 1.304 94 M CA -0.437 54.819 55.300 -0.073 0.000 0.854 94 M CB 0.519 33.093 32.600 -0.043 0.000 1.415 94 M HN -0.001 nan 8.290 nan 0.000 0.505 95 G N 2.865 111.631 108.800 -0.057 0.000 2.634 95 G HA2 -0.417 5.158 3.960 2.692 0.000 0.318 95 G HA3 -0.417 5.158 3.960 2.692 0.000 0.318 95 G C 0.159 175.044 174.900 -0.025 0.000 1.207 95 G CA 1.268 46.344 45.100 -0.040 0.000 0.987 95 G HN 0.680 nan 8.290 nan 0.000 0.547 96 D N 1.467 121.860 120.400 -0.012 0.000 2.395 96 D HA 0.288 6.544 4.640 2.692 0.000 0.213 96 D C 0.930 177.240 176.300 0.016 0.000 1.110 96 D CA 0.432 54.432 54.000 0.000 0.000 0.835 96 D CB 0.080 40.880 40.800 -0.001 0.000 0.965 96 D HN 0.603 nan 8.370 nan 0.000 0.505 97 E N 0.673 120.883 120.200 0.017 0.000 2.391 97 E HA 0.265 6.230 4.350 2.692 0.000 0.255 97 E C 0.500 177.138 176.600 0.064 0.000 1.187 97 E CA -0.192 56.232 56.400 0.039 0.000 0.941 97 E CB 0.753 30.472 29.700 0.032 0.000 1.010 97 E HN 0.160 nan 8.360 nan 0.000 0.458 98 R N 0.541 121.103 120.500 0.103 0.000 2.795 98 R HA 0.426 6.382 4.340 2.692 0.000 0.268 98 R C -1.137 175.278 176.300 0.193 0.000 1.041 98 R CA -0.867 55.315 56.100 0.137 0.000 0.927 98 R CB 0.552 30.933 30.300 0.136 0.000 1.235 98 R HN 0.426 nan 8.270 nan 0.000 0.463 99 M N 0.699 120.437 119.600 0.229 0.000 2.314 99 M HA 0.354 6.449 4.480 2.692 0.000 0.342 99 M C -0.276 176.235 176.300 0.352 0.000 1.171 99 M CA -0.494 54.977 55.300 0.284 0.000 1.098 99 M CB 1.482 34.261 32.600 0.298 0.000 1.559 99 M HN 0.412 nan 8.290 nan 0.000 0.459 100 W N 5.192 126.577 121.300 0.142 0.000 2.304 100 W HA 0.194 6.468 4.660 2.690 0.000 0.313 100 W C -1.989 174.619 176.519 0.148 0.000 1.323 100 W CA -1.524 55.897 57.345 0.126 0.000 1.223 100 W CB 1.173 30.694 29.460 0.101 0.000 1.237 100 W HN 0.462 nan 8.180 nan 0.000 0.535 101 P HA 0.075 nan 4.420 nan 0.000 0.255 101 P C -0.214 176.907 177.300 -0.298 0.000 1.248 101 P CA 0.751 63.727 63.100 -0.207 0.000 0.807 101 P CB 0.665 32.285 31.700 -0.134 0.000 1.150 102 L N -1.663 119.261 121.223 -0.498 0.000 2.309 102 L HA 0.385 6.341 4.340 2.692 0.000 0.261 102 L C 1.659 178.564 176.870 0.058 0.000 1.021 102 L CA -0.703 53.991 54.840 -0.242 0.000 0.823 102 L CB 1.345 43.223 42.059 -0.302 0.000 1.366 102 L HN -0.396 nan 8.230 nan 0.000 0.423 103 S N 0.459 116.205 115.700 0.076 0.000 2.355 103 S HA 0.082 6.167 4.470 2.692 0.000 0.222 103 S C 0.739 175.445 174.600 0.177 0.000 1.031 103 S CA 1.089 59.363 58.200 0.124 0.000 0.993 103 S CB -0.044 63.206 63.200 0.083 0.000 0.859 103 S HN 0.337 nan 8.310 nan 0.000 0.453 104 M N 2.021 121.714 119.600 0.154 0.000 2.211 104 M HA 0.360 6.456 4.480 2.692 0.000 0.356 104 M C -2.654 173.847 176.300 0.333 0.000 1.216 104 M CA -3.611 51.762 55.300 0.121 0.000 1.134 104 M CB -0.344 32.215 32.600 -0.067 0.000 1.564 104 M HN -0.126 nan 8.290 nan 0.000 0.463 105 P HA 0.128 nan 4.420 nan 0.000 0.266 105 P C 0.064 177.396 177.300 0.053 0.000 1.195 105 P CA 0.154 63.285 63.100 0.051 0.000 0.768 105 P CB 0.661 32.419 31.700 0.096 0.000 0.838 106 S N 0.673 116.202 115.700 -0.284 0.000 2.545 106 S HA 0.120 6.206 4.470 2.692 0.000 0.232 106 S C 0.112 174.378 174.600 -0.557 0.000 1.070 106 S CA 0.426 58.421 58.200 -0.341 0.000 0.923 106 S CB -0.104 62.889 63.200 -0.345 0.000 0.806 106 S HN 0.438 nan 8.310 nan 0.000 0.506 107 Y N 1.273 121.456 120.300 -0.196 0.000 2.617 107 Y HA 0.552 6.720 4.550 2.696 0.000 0.328 107 Y C -0.417 175.393 175.900 -0.150 0.000 0.946 107 Y CA -0.678 57.337 58.100 -0.141 0.000 1.241 107 Y CB -0.105 38.267 38.460 -0.147 0.000 1.226 107 Y HN 0.041 nan 8.280 nan 0.000 0.582 108 I N 1.158 121.705 120.570 -0.038 0.000 2.439 108 I HA 0.590 6.376 4.170 2.692 0.000 0.285 108 I C 0.022 176.086 176.117 -0.087 0.000 1.021 108 I CA -1.051 60.213 61.300 -0.060 0.000 1.091 108 I CB 1.444 39.394 38.000 -0.083 0.000 1.242 108 I HN 0.252 nan 8.210 nan 0.000 0.439 109 A N 4.220 127.000 122.820 -0.067 0.000 2.332 109 A HA 0.307 6.242 4.320 2.692 0.000 0.258 109 A C 0.164 177.670 177.584 -0.130 0.000 1.087 109 A CA -0.204 51.780 52.037 -0.088 0.000 0.802 109 A CB 0.688 19.658 19.000 -0.050 0.000 1.042 109 A HN 0.652 nan 8.150 nan 0.000 0.489 110 E N -0.045 120.059 120.200 -0.161 0.000 2.392 110 E HA 0.387 6.352 4.350 2.692 0.000 0.264 110 E C 1.443 177.989 176.600 -0.090 0.000 1.024 110 E CA 0.948 57.254 56.400 -0.158 0.000 0.903 110 E CB 0.630 30.230 29.700 -0.166 0.000 0.963 110 E HN 2.400 nan 8.360 nan 0.000 0.432 111 G N 2.706 111.464 108.800 -0.069 0.000 2.189 111 G HA2 -0.411 5.165 3.960 2.692 0.000 0.267 111 G HA3 -0.411 5.165 3.960 2.692 0.000 0.267 111 G C 0.475 175.360 174.900 -0.024 0.000 0.975 111 G CA 0.811 45.889 45.100 -0.037 0.000 0.644 111 G HN 0.847 nan 8.290 nan 0.000 0.537 112 Q N 1.019 120.801 119.800 -0.031 0.000 2.308 112 Q HA 0.170 6.125 4.340 2.692 0.000 0.313 112 Q C -0.022 175.978 176.000 -0.001 0.000 1.075 112 Q CA 0.182 55.973 55.803 -0.020 0.000 0.995 112 Q CB 0.318 29.041 28.738 -0.026 0.000 1.107 112 Q HN 0.280 nan 8.270 nan 0.000 0.380 113 D N 5.022 125.420 120.400 -0.003 0.000 2.349 113 D HA 0.092 6.348 4.640 2.692 0.000 0.266 113 D C -0.894 175.408 176.300 0.004 0.000 1.293 113 D CA 0.333 54.333 54.000 0.001 0.000 0.926 113 D CB 0.035 40.831 40.800 -0.006 0.000 1.090 113 D HN 0.461 nan 8.370 nan 0.000 0.502 114 I N 3.173 123.755 120.570 0.021 0.000 2.418 114 I HA 0.124 5.910 4.170 2.692 0.000 0.287 114 I C 0.594 176.696 176.117 -0.025 0.000 1.008 114 I CA -0.861 60.451 61.300 0.020 0.000 1.104 114 I CB 1.875 39.929 38.000 0.090 0.000 1.264 114 I HN 0.238 nan 8.210 nan 0.000 0.438 115 E N 6.812 126.977 120.200 -0.058 0.000 2.415 115 E HA 0.142 6.108 4.350 2.692 0.000 0.260 115 E C -0.543 175.937 176.600 -0.201 0.000 1.016 115 E CA -0.335 56.002 56.400 -0.105 0.000 0.924 115 E CB 0.642 30.287 29.700 -0.092 0.000 0.961 115 E HN 0.435 nan 8.360 nan 0.000 0.459 116 L N 2.757 123.829 121.223 -0.251 0.000 2.482 116 L HA 0.093 6.048 4.340 2.692 0.000 0.273 116 L C 0.693 177.353 176.870 -0.350 0.000 1.228 116 L CA -0.372 54.224 54.840 -0.406 0.000 0.827 116 L CB 0.131 42.002 42.059 -0.312 0.000 1.099 116 L HN 0.579 nan 8.230 nan 0.000 0.494 117 A N 2.248 124.828 122.820 -0.400 0.000 2.520 117 A HA 0.209 6.145 4.320 2.692 0.000 0.245 117 A C -0.135 177.126 177.584 -0.538 0.000 1.072 117 A CA -0.334 51.436 52.037 -0.446 0.000 0.761 117 A CB 0.058 18.842 19.000 -0.360 0.000 1.004 117 A HN 0.629 nan 8.150 nan 0.000 0.499 118 Q N 1.333 120.762 119.800 -0.618 0.000 2.271 118 Q HA 0.399 6.354 4.340 2.692 0.000 0.258 118 Q C -1.414 174.168 176.000 -0.696 0.000 0.936 118 Q CA -0.027 55.486 55.803 -0.482 0.000 0.909 118 Q CB 1.297 29.881 28.738 -0.256 0.000 1.253 118 Q HN 0.740 nan 8.270 nan 0.000 0.440 119 Y N 0.022 120.277 120.300 -0.074 0.000 2.672 119 Y HA 0.350 6.515 4.550 2.692 0.000 0.272 119 Y C 1.135 176.991 175.900 -0.073 0.000 1.055 119 Y CA 0.043 58.104 58.100 -0.064 0.000 1.151 119 Y CB 0.604 39.033 38.460 -0.051 0.000 1.190 119 Y HN 0.913 nan 8.280 nan 0.000 0.574 120 G N 0.840 109.644 108.800 0.007 0.000 2.692 120 G HA2 -0.347 5.229 3.960 2.692 0.000 0.248 120 G HA3 -0.347 5.229 3.960 2.692 0.000 0.248 120 G C 0.978 175.838 174.900 -0.066 0.000 1.340 120 G CA 0.390 45.475 45.100 -0.025 0.000 0.896 120 G HN 0.500 nan 8.290 nan 0.000 0.570 121 T N -1.722 112.783 114.554 -0.082 0.000 3.107 121 T HA 0.456 6.421 4.350 2.692 0.000 0.249 121 T C 1.566 176.163 174.700 -0.172 0.000 1.096 121 T CA 1.126 63.151 62.100 -0.126 0.000 1.012 121 T CB -0.376 68.440 68.868 -0.086 0.000 0.977 121 T HN 2.016 nan 8.240 nan 0.000 0.527 122 S N 1.991 117.597 115.700 -0.156 0.000 2.560 122 S HA 0.085 6.170 4.470 2.692 0.000 0.276 122 S C 1.098 175.492 174.600 -0.344 0.000 1.350 122 S CA -0.518 57.561 58.200 -0.202 0.000 1.024 122 S CB 0.364 63.472 63.200 -0.153 0.000 0.864 122 S HN 0.201 nan 8.310 nan 0.000 0.536 123 N N 1.425 119.855 118.700 -0.449 0.000 2.188 123 N HA -0.060 6.296 4.740 2.692 0.000 0.184 123 N C 1.738 176.761 175.510 -0.812 0.000 1.018 123 N CA 1.642 54.258 53.050 -0.723 0.000 0.858 123 N CB -1.080 36.732 38.487 -1.125 0.000 0.989 123 N HN 0.774 nan 8.380 nan 0.000 0.426 124 T N -0.249 113.943 114.554 -0.603 0.000 2.777 124 T HA -0.039 5.927 4.350 2.692 0.000 0.266 124 T C 1.888 176.535 174.700 -0.089 0.000 1.040 124 T CA 1.335 63.263 62.100 -0.286 0.000 1.141 124 T CB -0.651 68.130 68.868 -0.144 0.000 0.868 124 T HN 0.362 nan 8.240 nan 0.000 0.444 125 G N 1.326 110.047 108.800 -0.132 0.000 2.440 125 G HA2 -0.236 5.339 3.960 2.692 0.000 0.218 125 G HA3 -0.236 5.339 3.960 2.692 0.000 0.218 125 G C 1.746 176.638 174.900 -0.014 0.000 1.154 125 G CA 0.532 45.618 45.100 -0.024 0.000 0.767 125 G HN 0.400 nan 8.290 nan 0.000 0.552 126 R N -1.093 119.268 120.500 -0.232 0.000 2.073 126 R HA 0.100 6.056 4.340 2.692 0.000 0.229 126 R C 2.269 178.501 176.300 -0.112 0.000 1.120 126 R CA 0.760 56.630 56.100 -0.385 0.000 0.967 126 R CB -0.481 29.154 30.300 -1.108 0.000 0.862 126 R HN 0.370 nan 8.270 nan 0.000 0.436 127 F N 2.087 121.981 119.950 -0.093 0.000 2.154 127 F HA -0.250 5.893 4.527 2.693 0.000 0.301 127 F C 1.772 177.715 175.800 0.238 0.000 1.087 127 F CA 1.686 59.867 58.000 0.302 0.000 1.274 127 F CB 0.113 39.346 39.000 0.388 0.000 1.009 127 F HN -0.155 nan 8.300 nan 0.000 0.485 128 K N -1.063 119.450 120.400 0.190 0.000 2.076 128 K HA -0.066 5.870 4.320 2.692 0.000 0.204 128 K C 2.037 178.764 176.600 0.211 0.000 1.051 128 K CA 1.532 57.893 56.287 0.123 0.000 0.949 128 K CB -0.436 32.020 32.500 -0.072 0.000 0.726 128 K HN 0.143 nan 8.250 nan 0.000 0.443 129 T N 1.889 116.580 114.554 0.228 0.000 2.833 129 T HA -0.108 5.858 4.350 2.692 0.000 0.269 129 T C 1.645 176.395 174.700 0.083 0.000 1.054 129 T CA 0.899 63.094 62.100 0.158 0.000 1.135 129 T CB -0.068 68.852 68.868 0.087 0.000 0.869 129 T HN 0.077 nan 8.240 nan 0.000 0.466 130 L N 0.233 121.512 121.223 0.093 0.000 2.095 130 L HA 0.083 6.038 4.340 2.692 0.000 0.204 130 L C 2.063 178.965 176.870 0.052 0.000 1.080 130 L CA 1.548 56.442 54.840 0.090 0.000 0.759 130 L CB -0.973 41.195 42.059 0.182 0.000 0.914 130 L HN 0.245 nan 8.230 nan 0.000 0.439 131 Y N 1.019 121.236 120.300 -0.140 0.000 2.102 131 Y HA -0.352 5.813 4.550 2.692 0.000 0.280 131 Y C 2.664 178.589 175.900 0.041 0.000 1.178 131 Y CA 2.369 60.397 58.100 -0.119 0.000 1.146 131 Y CB -0.370 37.985 38.460 -0.174 0.000 0.968 131 Y HN 0.200 nan 8.280 nan 0.000 0.504 132 R N -0.344 120.154 120.500 -0.003 0.000 2.092 132 R HA -0.172 5.784 4.340 2.692 0.000 0.231 132 R C 2.222 178.563 176.300 0.068 0.000 1.119 132 R CA 1.405 57.516 56.100 0.018 0.000 0.970 132 R CB -0.371 29.922 30.300 -0.012 0.000 0.864 132 R HN 0.367 nan 8.270 nan 0.000 0.440 133 E N 0.392 120.604 120.200 0.019 0.000 2.085 133 E HA -0.150 5.815 4.350 2.692 0.000 0.194 133 E C 1.933 178.542 176.600 0.014 0.000 0.994 133 E CA 1.875 58.291 56.400 0.027 0.000 0.801 133 E CB -0.546 29.166 29.700 0.021 0.000 0.743 133 E HN 0.326 nan 8.360 nan 0.000 0.453 134 G N 0.616 109.398 108.800 -0.030 0.000 2.422 134 G HA2 -0.223 5.353 3.960 2.692 0.000 0.218 134 G HA3 -0.223 5.353 3.960 2.692 0.000 0.218 134 G C 1.619 176.439 174.900 -0.134 0.000 1.146 134 G CA 0.964 46.007 45.100 -0.095 0.000 0.769 134 G HN 0.311 nan 8.290 nan 0.000 0.547 135 L N 0.259 121.429 121.223 -0.088 0.000 2.083 135 L HA -0.052 5.904 4.340 2.692 0.000 0.209 135 L C 2.821 179.731 176.870 0.066 0.000 1.083 135 L CA 1.517 56.371 54.840 0.022 0.000 0.752 135 L CB -0.350 41.739 42.059 0.050 0.000 0.899 135 L HN 0.248 nan 8.230 nan 0.000 0.433 136 K N 0.402 120.891 120.400 0.148 0.000 2.057 136 K HA -0.190 5.746 4.320 2.692 0.000 0.207 136 K C 1.751 178.366 176.600 0.025 0.000 1.049 136 K CA 1.597 57.972 56.287 0.147 0.000 0.931 136 K CB -0.019 32.636 32.500 0.258 0.000 0.714 136 K HN 0.319 nan 8.250 nan 0.000 0.440 137 N N 0.738 119.424 118.700 -0.023 0.000 2.331 137 N HA -0.066 6.290 4.740 2.692 0.000 0.180 137 N C 1.760 177.197 175.510 -0.122 0.000 1.019 137 N CA 0.849 53.864 53.050 -0.058 0.000 0.881 137 N CB 0.002 38.453 38.487 -0.060 0.000 0.972 137 N HN 0.281 nan 8.380 nan 0.000 0.435 138 R N -0.666 119.682 120.500 -0.253 0.000 2.064 138 R HA 0.074 6.030 4.340 2.692 0.000 0.221 138 R C 1.117 177.178 176.300 -0.397 0.000 1.136 138 R CA 0.979 56.791 56.100 -0.481 0.000 0.980 138 R CB -0.064 29.583 30.300 -1.089 0.000 0.876 138 R HN 0.240 nan 8.270 nan 0.000 0.437 139 Y N -0.706 119.552 120.300 -0.072 0.000 2.462 139 Y HA 0.372 6.538 4.550 2.693 0.000 0.253 139 Y C 0.761 176.602 175.900 -0.098 0.000 1.095 139 Y CA 0.226 58.282 58.100 -0.073 0.000 1.283 139 Y CB 0.913 39.293 38.460 -0.133 0.000 1.138 139 Y HN 0.216 nan 8.280 nan 0.000 0.522 140 G N 0.409 109.222 108.800 0.021 0.000 2.777 140 G HA2 0.033 5.609 3.960 2.692 0.000 0.686 140 G HA3 0.033 5.609 3.960 2.692 0.000 0.686 140 G C 0.748 175.594 174.900 -0.090 0.000 1.177 140 G CA -0.406 44.681 45.100 -0.022 0.000 0.775 140 G HN 0.508 nan 8.290 nan 0.000 0.613 141 A N 1.314 124.114 122.820 -0.033 0.000 1.940 141 A HA 0.110 6.045 4.320 2.692 0.000 0.219 141 A C 2.586 180.114 177.584 -0.093 0.000 1.176 141 A CA 2.608 54.639 52.037 -0.009 0.000 0.631 141 A CB -0.263 18.863 19.000 0.209 0.000 0.814 141 A HN 1.999 nan 8.150 nan 0.000 0.446 142 L N -0.398 120.770 121.223 -0.091 0.000 1.989 142 L HA -0.186 5.770 4.340 2.692 0.000 0.211 142 L C 2.537 179.388 176.870 -0.032 0.000 1.071 142 L CA 2.858 57.627 54.840 -0.119 0.000 0.749 142 L CB -0.511 41.376 42.059 -0.285 0.000 0.890 142 L HN 0.561 nan 8.230 nan 0.000 0.431 143 M N -1.349 118.229 119.600 -0.036 0.000 2.149 143 M HA -0.225 5.870 4.480 2.692 0.000 0.261 143 M C 1.782 178.076 176.300 -0.011 0.000 1.064 143 M CA 1.722 57.057 55.300 0.059 0.000 1.102 143 M CB -0.236 32.339 32.600 -0.042 0.000 1.369 143 M HN 0.340 nan 8.290 nan 0.000 0.408 144 Q N -0.032 119.612 119.800 -0.260 0.000 2.472 144 Q HA -0.018 5.938 4.340 2.692 0.000 0.208 144 Q C 1.805 177.747 176.000 -0.097 0.000 0.958 144 Q CA 1.575 57.136 55.803 -0.404 0.000 0.932 144 Q CB -0.244 27.601 28.738 -1.489 0.000 1.007 144 Q HN 0.783 nan 8.270 nan 0.000 0.508 145 T N -3.012 111.564 114.554 0.037 0.000 3.129 145 T HA 0.183 6.148 4.350 2.692 0.000 0.251 145 T C 0.937 175.742 174.700 0.176 0.000 1.117 145 T CA -0.205 61.991 62.100 0.160 0.000 1.034 145 T CB -0.076 68.875 68.868 0.139 0.000 0.968 145 T HN -0.008 nan 8.240 nan 0.000 0.526 146 I N 3.758 124.453 120.570 0.208 0.000 2.598 146 I HA 0.151 5.936 4.170 2.692 0.000 0.284 146 I C 0.714 176.887 176.117 0.094 0.000 1.140 146 I CA -0.141 61.274 61.300 0.191 0.000 1.420 146 I CB 0.593 38.740 38.000 0.245 0.000 1.387 146 I HN 0.334 nan 8.210 nan 0.000 0.553 147 S N 4.893 120.653 115.700 0.099 0.000 2.549 147 S HA 0.906 6.991 4.470 2.692 0.000 0.297 147 S C -0.259 174.363 174.600 0.035 0.000 1.115 147 S CA -0.525 57.712 58.200 0.061 0.000 1.059 147 S CB 2.031 65.310 63.200 0.132 0.000 1.046 147 S HN 0.809 nan 8.310 nan 0.000 0.506 148 G N 0.247 109.041 108.800 -0.010 0.000 2.695 148 G HA2 0.609 6.184 3.960 2.692 0.000 0.290 148 G HA3 0.609 6.184 3.960 2.692 0.000 0.290 148 G C -1.790 173.126 174.900 0.026 0.000 1.410 148 G CA -0.731 44.387 45.100 0.030 0.000 0.844 148 G HN 0.864 nan 8.290 nan 0.000 0.478 149 V N 0.728 120.724 119.914 0.136 0.000 2.459 149 V HA 0.448 6.183 4.120 2.692 0.000 0.295 149 V C -0.623 175.683 176.094 0.353 0.000 1.029 149 V CA -0.645 61.758 62.300 0.171 0.000 0.874 149 V CB 1.277 33.212 31.823 0.185 0.000 0.985 149 V HN 0.745 nan 8.190 nan 0.000 0.438 150 H N 3.870 123.036 119.070 0.160 0.000 2.459 150 H HA 0.385 6.556 4.556 2.691 0.000 0.332 150 H C -1.442 174.026 175.328 0.232 0.000 1.094 150 H CA -0.594 55.561 56.048 0.177 0.000 1.224 150 H CB 1.840 31.685 29.762 0.139 0.000 1.449 150 H HN 0.670 nan 8.280 nan 0.000 0.484 151 Y N 4.109 124.550 120.300 0.235 0.000 2.342 151 Y HA 0.207 6.374 4.550 2.694 0.000 0.338 151 Y C -0.838 175.175 175.900 0.190 0.000 0.965 151 Y CA -0.898 57.316 58.100 0.190 0.000 1.159 151 Y CB 0.533 39.099 38.460 0.178 0.000 1.157 151 Y HN 0.597 nan 8.280 nan 0.000 0.486 152 N N 7.413 125.935 118.700 -0.296 0.000 2.408 152 N HA 0.288 6.644 4.740 2.692 0.000 0.280 152 N C -1.858 173.447 175.510 -0.341 0.000 1.002 152 N CA -0.295 52.653 53.050 -0.170 0.000 0.907 152 N CB 1.904 40.320 38.487 -0.119 0.000 1.161 152 N HN 0.632 nan 8.380 nan 0.000 0.488 153 F N 1.478 121.264 119.950 -0.273 0.000 2.569 153 F HA 0.477 6.621 4.527 2.695 0.000 0.312 153 F C -0.968 174.819 175.800 -0.021 0.000 1.109 153 F CA -0.650 57.227 58.000 -0.205 0.000 0.919 153 F CB 1.420 40.362 39.000 -0.098 0.000 1.211 153 F HN 0.364 nan 8.300 nan 0.000 0.446 154 S N 5.975 121.250 115.700 -0.709 0.000 2.547 154 S HA 0.720 6.805 4.470 2.692 0.000 0.281 154 S C -1.199 172.965 174.600 -0.726 0.000 1.118 154 S CA -0.892 57.033 58.200 -0.459 0.000 0.947 154 S CB 1.530 64.656 63.200 -0.123 0.000 1.053 154 S HN 0.805 nan 8.310 nan 0.000 0.482 155 L N 2.964 123.942 121.223 -0.409 0.000 2.436 155 L HA 0.458 6.414 4.340 2.692 0.000 0.265 155 L C -1.881 174.870 176.870 -0.199 0.000 1.168 155 L CA -1.923 52.645 54.840 -0.452 0.000 0.815 155 L CB 0.388 42.001 42.059 -0.744 0.000 1.109 155 L HN 0.511 nan 8.230 nan 0.000 0.462 156 P HA 0.059 nan 4.420 nan 0.000 0.274 156 P C 0.358 177.673 177.300 0.025 0.000 1.231 156 P CA -0.475 62.595 63.100 -0.049 0.000 0.790 156 P CB 0.659 32.335 31.700 -0.041 0.000 0.951 157 M N 1.375 121.054 119.600 0.132 0.000 2.267 157 M HA -0.140 5.956 4.480 2.692 0.000 0.263 157 M C 1.923 178.324 176.300 0.168 0.000 1.063 157 M CA 1.751 57.199 55.300 0.248 0.000 1.090 157 M CB -1.936 30.770 32.600 0.177 0.000 1.392 157 M HN 0.470 nan 8.290 nan 0.000 0.422 158 A N -0.728 122.140 122.820 0.080 0.000 2.067 158 A HA -0.165 5.771 4.320 2.692 0.000 0.219 158 A C 2.055 179.653 177.584 0.024 0.000 1.158 158 A CA 0.855 52.919 52.037 0.047 0.000 0.661 158 A CB -0.904 18.108 19.000 0.019 0.000 0.801 158 A HN 0.419 nan 8.150 nan 0.000 0.452 159 F N -0.567 119.264 119.950 -0.198 0.000 2.075 159 F HA -0.183 5.960 4.527 2.693 0.000 0.297 159 F C 1.999 177.672 175.800 -0.211 0.000 1.113 159 F CA 1.983 59.803 58.000 -0.301 0.000 1.218 159 F CB -0.502 38.090 39.000 -0.681 0.000 0.984 159 F HN 0.419 nan 8.300 nan 0.000 0.472 160 W N 0.139 121.560 121.300 0.200 0.000 2.363 160 W HA -0.188 6.087 4.660 2.692 0.000 0.296 160 W C 2.552 179.056 176.519 -0.026 0.000 1.212 160 W CA 0.811 58.187 57.345 0.052 0.000 1.260 160 W CB -0.803 28.698 29.460 0.070 0.000 1.131 160 W HN 0.118 nan 8.180 nan 0.000 0.530 161 Q N 1.314 121.230 119.800 0.194 0.000 2.119 161 Q HA -0.116 5.839 4.340 2.692 0.000 0.201 161 Q C 2.133 178.150 176.000 0.030 0.000 0.972 161 Q CA 2.332 58.194 55.803 0.099 0.000 0.847 161 Q CB -0.614 28.171 28.738 0.079 0.000 0.903 161 Q HN 0.165 nan 8.270 nan 0.000 0.433 162 A N 0.072 122.881 122.820 -0.018 0.000 2.016 162 A HA -0.063 5.873 4.320 2.692 0.000 0.217 162 A C 2.009 179.591 177.584 -0.003 0.000 1.162 162 A CA 1.145 53.124 52.037 -0.097 0.000 0.662 162 A CB -0.358 18.495 19.000 -0.245 0.000 0.812 162 A HN 0.316 nan 8.150 nan 0.000 0.450 163 K N -0.656 119.741 120.400 -0.005 0.000 2.116 163 K HA 0.026 5.962 4.320 2.692 0.000 0.203 163 K C 1.298 177.834 176.600 -0.107 0.000 1.052 163 K CA 1.388 57.566 56.287 -0.181 0.000 0.952 163 K CB 0.073 32.362 32.500 -0.351 0.000 0.729 163 K HN 0.438 nan 8.250 nan 0.000 0.446 164 S N -0.892 114.794 115.700 -0.024 0.000 2.549 164 S HA 0.219 6.304 4.470 2.692 0.000 0.225 164 S C 0.331 174.932 174.600 0.002 0.000 1.039 164 S CA 0.212 58.404 58.200 -0.013 0.000 0.942 164 S CB 1.240 64.446 63.200 0.011 0.000 0.881 164 S HN 0.620 nan 8.310 nan 0.000 0.503 165 G N 2.282 111.090 108.800 0.013 0.000 2.645 165 G HA2 -0.200 5.375 3.960 2.692 0.000 0.239 165 G HA3 -0.200 5.375 3.960 2.692 0.000 0.239 165 G C -1.315 173.598 174.900 0.021 0.000 1.331 165 G CA -0.445 44.666 45.100 0.018 0.000 0.890 165 G HN 0.296 nan 8.290 nan 0.000 0.572 166 D N 1.257 121.668 120.400 0.018 0.000 2.371 166 D HA 0.540 6.796 4.640 2.692 0.000 0.256 166 D C 0.914 177.220 176.300 0.011 0.000 1.193 166 D CA 1.201 55.211 54.000 0.016 0.000 0.881 166 D CB 0.358 41.167 40.800 0.014 0.000 1.143 166 D HN 0.828 nan 8.370 nan 0.000 0.473 167 I N -2.000 118.576 120.570 0.011 0.000 3.181 167 I HA 0.404 6.190 4.170 2.692 0.000 0.311 167 I C 0.084 176.203 176.117 0.002 0.000 1.287 167 I CA -1.266 60.035 61.300 0.003 0.000 0.958 167 I CB 1.583 39.581 38.000 -0.003 0.000 1.294 167 I HN 0.162 nan 8.210 nan 0.000 0.467 168 S N 0.963 116.661 115.700 -0.003 0.000 2.573 168 S HA 0.265 6.351 4.470 2.692 0.000 0.277 168 S C 1.113 175.709 174.600 -0.007 0.000 1.346 168 S CA 0.123 58.320 58.200 -0.004 0.000 1.034 168 S CB 1.023 64.219 63.200 -0.006 0.000 0.879 168 S HN 1.086 nan 8.310 nan 0.000 0.528 169 G N 0.790 109.588 108.800 -0.003 0.000 2.484 169 G HA2 0.192 5.768 3.960 2.692 0.000 0.218 169 G HA3 0.192 5.768 3.960 2.692 0.000 0.218 169 G C 1.395 176.287 174.900 -0.014 0.000 1.130 169 G CA 0.457 45.554 45.100 -0.005 0.000 0.784 169 G HN 1.054 nan 8.290 nan 0.000 0.543 170 A N 1.328 124.140 122.820 -0.013 0.000 1.872 170 A HA 0.008 5.943 4.320 2.692 0.000 0.214 170 A C 2.055 179.619 177.584 -0.035 0.000 1.187 170 A CA 1.944 53.971 52.037 -0.017 0.000 0.614 170 A CB -0.355 18.640 19.000 -0.008 0.000 0.826 170 A HN 0.235 nan 8.150 nan 0.000 0.442 171 D N -0.056 120.323 120.400 -0.034 0.000 2.144 171 D HA 0.012 6.268 4.640 2.692 0.000 0.199 171 D C 2.106 178.366 176.300 -0.067 0.000 0.984 171 D CA 1.466 55.438 54.000 -0.047 0.000 0.834 171 D CB -0.220 40.559 40.800 -0.035 0.000 0.955 171 D HN 0.420 nan 8.370 nan 0.000 0.465 172 A N 0.735 123.520 122.820 -0.059 0.000 1.930 172 A HA -0.115 5.820 4.320 2.692 0.000 0.215 172 A C 1.991 179.490 177.584 -0.142 0.000 1.176 172 A CA 1.354 53.344 52.037 -0.079 0.000 0.632 172 A CB -0.405 18.576 19.000 -0.032 0.000 0.819 172 A HN 0.234 nan 8.150 nan 0.000 0.445 173 K N -0.070 120.266 120.400 -0.107 0.000 2.283 173 K HA -0.097 5.839 4.320 2.692 0.000 0.202 173 K C 1.651 178.163 176.600 -0.148 0.000 1.048 173 K CA 1.542 57.756 56.287 -0.122 0.000 0.948 173 K CB -0.126 32.339 32.500 -0.059 0.000 0.742 173 K HN 0.550 nan 8.250 nan 0.000 0.458 174 E N 0.750 120.872 120.200 -0.131 0.000 2.051 174 E HA -0.130 5.835 4.350 2.692 0.000 0.189 174 E C 1.817 178.314 176.600 -0.172 0.000 0.979 174 E CA 0.846 57.169 56.400 -0.128 0.000 0.803 174 E CB 0.186 29.822 29.700 -0.108 0.000 0.761 174 E HN 0.168 nan 8.360 nan 0.000 0.451 175 K N 0.689 120.968 120.400 -0.202 0.000 2.074 175 K HA -0.156 5.779 4.320 2.692 0.000 0.209 175 K C 1.912 178.202 176.600 -0.518 0.000 1.048 175 K CA 1.175 57.308 56.287 -0.257 0.000 0.926 175 K CB -0.130 32.253 32.500 -0.195 0.000 0.713 175 K HN 0.136 nan 8.250 nan 0.000 0.444 176 I N -0.154 119.983 120.570 -0.723 0.000 2.179 176 I HA -0.321 5.465 4.170 2.692 0.000 0.242 176 I C 2.087 177.821 176.117 -0.639 0.000 1.088 176 I CA 1.208 61.794 61.300 -1.189 0.000 1.357 176 I CB -0.272 37.201 38.000 -0.878 0.000 1.051 176 I HN 0.111 nan 8.210 nan 0.000 0.409 177 S N 0.773 116.293 115.700 -0.300 0.000 2.359 177 S HA -0.212 5.874 4.470 2.692 0.000 0.224 177 S C 2.255 176.827 174.600 -0.046 0.000 1.035 177 S CA 1.493 59.610 58.200 -0.140 0.000 1.018 177 S CB -0.441 62.747 63.200 -0.020 0.000 0.876 177 S HN 0.555 nan 8.310 nan 0.000 0.448 178 A N 1.419 124.226 122.820 -0.022 0.000 1.933 178 A HA 0.042 5.977 4.320 2.692 0.000 0.218 178 A C 2.328 179.934 177.584 0.036 0.000 1.175 178 A CA 1.800 53.885 52.037 0.079 0.000 0.628 178 A CB -1.443 17.557 19.000 0.000 0.000 0.814 178 A HN 0.528 nan 8.150 nan 0.000 0.444 179 G N -1.579 107.131 108.800 -0.149 0.000 2.446 179 G HA2 -0.240 5.336 3.960 2.692 0.000 0.217 179 G HA3 -0.240 5.336 3.960 2.692 0.000 0.217 179 G C 1.444 176.344 174.900 0.001 0.000 1.168 179 G CA 1.268 46.340 45.100 -0.047 0.000 0.771 179 G HN 0.517 nan 8.290 nan 0.000 0.551 180 Y N -0.322 119.975 120.300 -0.005 0.000 2.314 180 Y HA 0.142 6.307 4.550 2.692 0.000 0.293 180 Y C 2.416 178.258 175.900 -0.097 0.000 1.129 180 Y CA 0.162 58.226 58.100 -0.061 0.000 1.201 180 Y CB -0.376 37.952 38.460 -0.219 0.000 0.999 180 Y HN 0.167 nan 8.280 nan 0.000 0.541 181 F N -0.381 119.656 119.950 0.145 0.000 2.206 181 F HA -0.081 6.061 4.527 2.692 0.000 0.298 181 F C 2.553 178.419 175.800 0.110 0.000 1.090 181 F CA 1.116 59.188 58.000 0.119 0.000 1.323 181 F CB -0.618 38.441 39.000 0.097 0.000 1.028 181 F HN -0.099 nan 8.300 nan 0.000 0.492 182 R N 0.435 121.096 120.500 0.268 0.000 2.091 182 R HA -0.163 5.793 4.340 2.692 0.000 0.238 182 R C 2.113 178.497 176.300 0.141 0.000 1.136 182 R CA 1.782 57.979 56.100 0.162 0.000 0.959 182 R CB -0.699 29.661 30.300 0.100 0.000 0.856 182 R HN 0.180 nan 8.270 nan 0.000 0.437 183 V N 1.357 121.357 119.914 0.144 0.000 2.295 183 V HA -0.268 5.467 4.120 2.692 0.000 0.246 183 V C 2.416 178.608 176.094 0.164 0.000 1.049 183 V CA 2.008 64.383 62.300 0.126 0.000 1.024 183 V CB -0.325 31.608 31.823 0.184 0.000 0.648 183 V HN 0.347 nan 8.190 nan 0.000 0.447 184 I N -0.700 119.968 120.570 0.162 0.000 2.226 184 I HA -0.262 5.523 4.170 2.692 0.000 0.245 184 I C 2.744 179.023 176.117 0.270 0.000 1.100 184 I CA 1.593 62.970 61.300 0.129 0.000 1.374 184 I CB -0.393 37.605 38.000 -0.004 0.000 1.057 184 I HN 0.235 nan 8.210 nan 0.000 0.413 185 R N 0.381 121.028 120.500 0.245 0.000 2.081 185 R HA -0.131 5.824 4.340 2.692 0.000 0.235 185 R C 2.080 178.543 176.300 0.271 0.000 1.131 185 R CA 1.309 57.553 56.100 0.241 0.000 0.960 185 R CB -0.435 29.976 30.300 0.185 0.000 0.856 185 R HN 0.398 nan 8.270 nan 0.000 0.436 186 N N 0.309 119.165 118.700 0.259 0.000 2.188 186 N HA -0.186 6.170 4.740 2.692 0.000 0.184 186 N C 1.537 177.299 175.510 0.419 0.000 1.018 186 N CA 1.052 54.304 53.050 0.338 0.000 0.858 186 N CB -0.312 38.326 38.487 0.252 0.000 0.989 186 N HN 0.263 nan 8.380 nan 0.000 0.426 187 Y N 0.328 120.776 120.300 0.248 0.000 2.181 187 Y HA -0.224 5.943 4.550 2.696 0.000 0.288 187 Y C 1.929 178.068 175.900 0.398 0.000 1.146 187 Y CA 1.510 59.788 58.100 0.298 0.000 1.164 187 Y CB -0.435 38.126 38.460 0.169 0.000 0.982 187 Y HN 0.028 nan 8.280 nan 0.000 0.515 188 Y N -0.087 120.455 120.300 0.403 0.000 2.200 188 Y HA -0.192 5.974 4.550 2.693 0.000 0.290 188 Y C 2.645 178.772 175.900 0.379 0.000 1.137 188 Y CA 1.854 60.169 58.100 0.359 0.000 1.163 188 Y CB -0.263 38.306 38.460 0.182 0.000 0.988 188 Y HN -0.010 nan 8.280 nan 0.000 0.518 189 R N -1.267 119.379 120.500 0.243 0.000 2.066 189 R HA -0.113 5.842 4.340 2.692 0.000 0.232 189 R C 0.841 176.925 176.300 -0.359 0.000 1.131 189 R CA 1.791 57.752 56.100 -0.232 0.000 0.955 189 R CB -0.255 29.540 30.300 -0.841 0.000 0.851 189 R HN 0.256 nan 8.270 nan 0.000 0.432 190 F N -2.115 117.957 119.950 0.203 0.000 2.746 190 F HA 0.334 6.475 4.527 2.689 0.000 0.320 190 F C 1.698 177.082 175.800 -0.693 0.000 1.097 190 F CA -0.314 57.555 58.000 -0.217 0.000 1.195 190 F CB 0.379 39.387 39.000 0.014 0.000 1.056 190 F HN 0.008 nan 8.300 nan 0.000 0.562 191 G N 0.891 109.488 108.800 -0.337 0.000 2.679 191 G HA2 -0.194 5.381 3.960 2.692 0.000 0.212 191 G HA3 -0.194 5.381 3.960 2.692 0.000 0.212 191 G C 1.330 175.453 174.900 -1.294 0.000 1.137 191 G CA 0.350 45.024 45.100 -0.710 0.000 0.787 191 G HN 0.626 nan 8.290 nan 0.000 0.534 192 W N 0.074 120.465 121.300 -1.516 0.000 2.468 192 W HA -0.013 6.268 4.660 2.701 0.000 0.262 192 W C 1.460 177.603 176.519 -0.627 0.000 1.241 192 W CA 0.367 56.851 57.345 -1.435 0.000 1.232 192 W CB -1.029 27.772 29.460 -1.099 0.000 1.124 192 W HN 0.069 nan 8.180 nan 0.000 0.597 193 V N 2.401 121.710 119.914 -1.009 0.000 2.568 193 V HA -0.294 5.442 4.120 2.692 0.000 0.253 193 V C 2.187 178.041 176.094 -0.401 0.000 1.072 193 V CA 1.879 63.793 62.300 -0.644 0.000 1.084 193 V CB -0.346 30.965 31.823 -0.853 0.000 0.676 193 V HN 0.162 nan 8.190 nan 0.000 0.469 194 I N 0.417 120.746 120.570 -0.401 0.000 2.133 194 I HA -0.087 5.699 4.170 2.692 0.000 0.238 194 I C -0.005 176.066 176.117 -0.077 0.000 1.074 194 I CA 1.553 62.758 61.300 -0.157 0.000 1.342 194 I CB -1.574 36.456 38.000 0.051 0.000 1.053 194 I HN 0.329 nan 8.210 nan 0.000 0.404 195 P HA -0.252 nan 4.420 nan 0.000 0.216 195 P C 1.578 178.884 177.300 0.010 0.000 1.154 195 P CA 1.752 64.899 63.100 0.080 0.000 0.865 195 P CB -0.232 31.567 31.700 0.164 0.000 0.789 196 Y N 0.250 120.481 120.300 -0.115 0.000 2.181 196 Y HA -0.138 6.015 4.550 2.671 0.000 0.288 196 Y C 2.194 177.898 175.900 -0.326 0.000 1.146 196 Y CA 1.512 59.535 58.100 -0.129 0.000 1.164 196 Y CB -0.903 37.551 38.460 -0.011 0.000 0.982 196 Y HN -0.212 nan 8.280 nan 0.000 0.515 197 L N -1.874 119.007 121.223 -0.570 0.000 2.127 197 L HA -0.083 5.873 4.340 2.692 0.000 0.203 197 L C 1.098 177.305 176.870 -1.106 0.000 1.080 197 L CA 0.885 55.062 54.840 -1.104 0.000 0.768 197 L CB -0.248 40.750 42.059 -1.770 0.000 0.924 197 L HN 0.156 nan 8.230 nan 0.000 0.444 198 F N -0.731 118.935 119.950 -0.473 0.000 2.746 198 F HA 0.332 6.478 4.527 2.697 0.000 0.320 198 F C 1.469 177.261 175.800 -0.013 0.000 1.097 198 F CA -1.031 56.656 58.000 -0.522 0.000 1.195 198 F CB -0.700 38.032 39.000 -0.447 0.000 1.056 198 F HN -0.172 nan 8.300 nan 0.000 0.562 199 G N 0.785 109.656 108.800 0.118 0.000 2.353 199 G HA2 0.342 5.918 3.960 2.692 0.000 0.239 199 G HA3 0.342 5.918 3.960 2.692 0.000 0.239 199 G C 0.352 175.388 174.900 0.226 0.000 1.295 199 G CA 0.426 45.627 45.100 0.168 0.000 0.884 199 G HN 0.379 nan 8.290 nan 0.000 0.537 200 A N 1.542 124.485 122.820 0.205 0.000 2.676 200 A HA 0.553 6.489 4.320 2.692 0.000 0.258 200 A C 0.690 178.318 177.584 0.072 0.000 0.898 200 A CA 0.304 52.437 52.037 0.160 0.000 1.087 200 A CB 0.170 19.259 19.000 0.148 0.000 1.214 200 A HN 1.458 nan 8.150 nan 0.000 0.474 201 S N -0.603 115.147 115.700 0.083 0.000 2.472 201 S HA 0.341 6.427 4.470 2.692 0.000 0.191 201 S C -2.098 172.551 174.600 0.083 0.000 1.244 201 S CA -0.654 57.581 58.200 0.058 0.000 1.227 201 S CB 0.688 63.915 63.200 0.045 0.000 1.381 201 S HN 0.184 nan 8.310 nan 0.000 0.394 202 P HA 0.224 nan 4.420 nan 0.000 0.229 202 P C 0.507 177.922 177.300 0.193 0.000 1.160 202 P CA 0.636 63.815 63.100 0.131 0.000 0.777 202 P CB 0.098 31.863 31.700 0.108 0.000 0.814 203 A N 0.418 123.327 122.820 0.149 0.000 2.354 203 A HA 0.811 6.747 4.320 2.692 0.000 0.321 203 A C -0.217 177.443 177.584 0.126 0.000 1.125 203 A CA -0.869 51.287 52.037 0.198 0.000 0.799 203 A CB 1.135 20.218 19.000 0.137 0.000 1.293 203 A HN 0.108 nan 8.150 nan 0.000 0.452 204 I N -1.718 118.947 120.570 0.158 0.000 3.004 204 I HA 0.671 6.457 4.170 2.692 0.000 0.305 204 I C -0.150 176.095 176.117 0.213 0.000 1.312 204 I CA -0.630 60.725 61.300 0.092 0.000 0.992 204 I CB 1.930 39.913 38.000 -0.028 0.000 1.282 204 I HN 0.728 nan 8.210 nan 0.000 0.449 205 S N 2.013 117.872 115.700 0.266 0.000 2.661 205 S HA 0.311 6.396 4.470 2.692 0.000 0.265 205 S C 0.981 175.744 174.600 0.272 0.000 1.225 205 S CA 0.157 58.524 58.200 0.279 0.000 0.986 205 S CB 1.323 64.638 63.200 0.191 0.000 1.008 205 S HN 0.775 nan 8.310 nan 0.000 0.565 206 S N 1.381 117.224 115.700 0.239 0.000 2.383 206 S HA -0.120 5.966 4.470 2.692 0.000 0.229 206 S C 2.063 176.624 174.600 -0.064 0.000 1.030 206 S CA 1.368 59.591 58.200 0.038 0.000 1.002 206 S CB -1.075 62.201 63.200 0.126 0.000 0.829 206 S HN 0.727 nan 8.310 nan 0.000 0.467 207 S N 1.692 117.364 115.700 -0.047 0.000 2.392 207 S HA -0.095 5.990 4.470 2.692 0.000 0.232 207 S C 1.312 175.729 174.600 -0.304 0.000 1.041 207 S CA 1.349 59.428 58.200 -0.203 0.000 1.026 207 S CB -0.582 62.432 63.200 -0.309 0.000 0.845 207 S HN 0.543 nan 8.310 nan 0.000 0.465 208 F N 1.153 121.055 119.950 -0.080 0.000 2.771 208 F HA 0.255 6.401 4.527 2.698 0.000 0.299 208 F C 0.885 176.599 175.800 -0.142 0.000 1.177 208 F CA 0.371 58.322 58.000 -0.083 0.000 1.450 208 F CB -0.319 38.649 39.000 -0.052 0.000 1.114 208 F HN 0.079 nan 8.300 nan 0.000 0.587 215 S N 0.350 116.099 115.700 0.082 0.000 2.614 215 S HA 0.352 6.438 4.470 2.692 0.000 0.230 215 S C 0.607 175.237 174.600 0.049 0.000 0.952 215 S CA -0.668 57.568 58.200 0.061 0.000 0.949 215 S CB -0.648 62.576 63.200 0.041 0.000 0.786 215 S HN 0.651 nan 8.310 nan 0.000 0.478 216 L N 2.919 124.181 121.223 0.066 0.000 2.380 216 L HA 0.315 6.270 4.340 2.692 0.000 0.273 216 L C -1.976 174.838 176.870 -0.094 0.000 1.138 216 L CA -1.899 52.903 54.840 -0.063 0.000 0.832 216 L CB 0.108 42.058 42.059 -0.182 0.000 1.124 216 L HN -0.003 nan 8.230 nan 0.000 0.454 217 P HA 0.107 nan 4.420 nan 0.000 0.226 217 P C -0.467 176.723 177.300 -0.184 0.000 1.783 217 P CA -0.193 62.837 63.100 -0.116 0.000 0.980 217 P CB -0.414 31.226 31.700 -0.100 0.000 1.967 218 F N 0.936 120.854 119.950 -0.055 0.000 2.553 218 F HA 0.103 6.269 4.527 2.731 0.000 0.356 218 F C 1.548 177.258 175.800 -0.150 0.000 1.142 218 F CA 0.648 58.595 58.000 -0.088 0.000 1.322 218 F CB 0.576 39.590 39.000 0.024 0.000 1.126 218 F HN 0.161 nan 8.300 nan 0.000 0.599 219 E N 1.170 121.258 120.200 -0.187 0.000 2.334 219 E HA 0.481 6.447 4.350 2.692 0.000 0.256 219 E C -0.908 175.577 176.600 -0.190 0.000 0.958 219 E CA -1.233 54.989 56.400 -0.298 0.000 0.821 219 E CB 1.977 31.321 29.700 -0.594 0.000 1.269 219 E HN 0.384 nan 8.360 nan 0.000 0.413 220 K N 0.206 120.581 120.400 -0.042 0.000 2.328 220 K HA 0.464 6.400 4.320 2.692 0.000 0.246 220 K C -0.929 175.765 176.600 0.157 0.000 0.955 220 K CA -0.496 55.782 56.287 -0.015 0.000 0.817 220 K CB 2.306 34.718 32.500 -0.147 0.000 1.208 220 K HN 0.336 nan 8.250 nan 0.000 0.432 221 T N 0.279 114.873 114.554 0.067 0.000 2.942 221 T HA 0.170 6.135 4.350 2.692 0.000 0.289 221 T C 0.701 175.383 174.700 -0.030 0.000 1.044 221 T CA -0.418 61.700 62.100 0.031 0.000 1.023 221 T CB 1.180 70.038 68.868 -0.017 0.000 1.123 221 T HN 0.558 nan 8.240 nan 0.000 0.512 222 E N 1.163 121.351 120.200 -0.020 0.000 2.267 222 E HA -0.090 5.875 4.350 2.692 0.000 0.197 222 E C 2.137 178.727 176.600 -0.016 0.000 0.998 222 E CA 1.181 57.570 56.400 -0.018 0.000 0.830 222 E CB -0.129 29.565 29.700 -0.010 0.000 0.751 222 E HN 0.733 nan 8.360 nan 0.000 0.491 223 S N 0.085 115.774 115.700 -0.018 0.000 2.603 223 S HA 0.200 6.286 4.470 2.692 0.000 0.220 223 S C 1.618 176.222 174.600 0.006 0.000 0.967 223 S CA 0.706 58.910 58.200 0.005 0.000 0.920 223 S CB -0.084 63.119 63.200 0.005 0.000 0.773 223 S HN 0.300 nan 8.310 nan 0.000 0.529 224 G N -0.051 108.719 108.800 -0.050 0.000 2.176 224 G HA2 -0.163 5.413 3.960 2.692 0.000 0.232 224 G HA3 -0.163 5.413 3.960 2.692 0.000 0.232 224 G C 0.137 174.929 174.900 -0.180 0.000 0.986 224 G CA 0.204 45.245 45.100 -0.098 0.000 0.643 224 G HN 0.323 nan 8.290 nan 0.000 0.522 225 M N 0.294 119.822 119.600 -0.120 0.000 2.250 225 M HA 0.510 6.606 4.480 2.692 0.000 0.344 225 M C 0.051 176.277 176.300 -0.124 0.000 1.150 225 M CA -0.500 54.771 55.300 -0.049 0.000 1.147 225 M CB 0.370 32.987 32.600 0.028 0.000 1.498 225 M HN 0.104 nan 8.290 nan 0.000 0.461 226 Y N 2.313 122.687 120.300 0.123 0.000 2.342 226 Y HA 0.494 6.655 4.550 2.686 0.000 0.334 226 Y C -0.231 175.864 175.900 0.325 0.000 1.067 226 Y CA -0.456 57.727 58.100 0.139 0.000 1.128 226 Y CB 0.850 39.254 38.460 -0.093 0.000 1.200 226 Y HN 0.583 nan 8.280 nan 0.000 0.464 227 Y N 0.195 120.741 120.300 0.409 0.000 2.597 227 Y HA 0.777 6.925 4.550 2.664 0.000 0.340 227 Y C -2.225 173.810 175.900 0.225 0.000 1.097 227 Y CA -1.952 56.340 58.100 0.319 0.000 1.037 227 Y CB 1.056 39.590 38.460 0.123 0.000 1.305 227 Y HN 0.428 nan 8.280 nan 0.000 0.463 228 L N 3.781 125.072 121.223 0.113 0.000 2.307 228 L HA 0.461 6.417 4.340 2.692 0.000 0.284 228 L C -1.638 175.269 176.870 0.062 0.000 1.023 228 L CA -2.115 52.637 54.840 -0.146 0.000 0.810 228 L CB 2.374 44.295 42.059 -0.230 0.000 1.231 228 L HN 0.560 nan 8.230 nan 0.000 0.423 229 P HA -0.136 nan 4.420 nan 0.000 0.221 229 P C 0.443 177.573 177.300 -0.283 0.000 1.150 229 P CA 1.355 64.360 63.100 -0.159 0.000 0.800 229 P CB 0.183 31.555 31.700 -0.546 0.000 0.787 230 Y N -1.019 119.323 120.300 0.069 0.000 2.557 230 Y HA 0.508 5.068 4.550 0.016 0.000 0.247 230 Y C 1.392 177.319 175.900 0.045 0.000 1.164 230 Y CA -1.274 56.854 58.100 0.047 0.000 1.218 230 Y CB -0.615 37.862 38.460 0.029 0.000 1.210 230 Y HN -0.112 nan 8.280 nan 0.000 0.529 231 A N 0.396 123.312 122.820 0.160 0.000 2.366 231 A HA 0.435 6.371 4.320 2.692 0.000 0.249 231 A C 1.326 178.979 177.584 0.115 0.000 1.084 231 A CA 0.683 52.795 52.037 0.126 0.000 0.794 231 A CB 0.304 19.366 19.000 0.102 0.000 1.034 231 A HN 0.384 nan 8.150 nan 0.000 0.491 232 T N -2.521 112.099 114.554 0.110 0.000 3.182 232 T HA 0.296 6.261 4.350 2.692 0.000 0.244 232 T C 0.674 175.442 174.700 0.113 0.000 0.981 232 T CA 0.771 62.925 62.100 0.090 0.000 1.182 232 T CB -0.036 68.876 68.868 0.074 0.000 1.043 232 T HN 0.812 nan 8.240 nan 0.000 0.424 233 S N 0.468 116.249 115.700 0.135 0.000 2.524 233 S HA 0.521 6.607 4.470 2.692 0.000 0.227 233 S C 0.447 175.131 174.600 0.141 0.000 1.304 233 S CA -0.678 57.608 58.200 0.143 0.000 1.185 233 S CB 0.009 63.315 63.200 0.176 0.000 1.104 233 S HN 0.419 nan 8.310 nan 0.000 0.475 234 L N 3.317 124.609 121.223 0.115 0.000 2.465 234 L HA 0.099 6.054 4.340 2.692 0.000 0.224 234 L C 2.606 179.520 176.870 0.073 0.000 1.145 234 L CA 0.525 55.428 54.840 0.105 0.000 0.834 234 L CB -0.267 41.857 42.059 0.108 0.000 0.944 234 L HN 0.594 nan 8.230 nan 0.000 0.451 235 R N 1.134 121.674 120.500 0.066 0.000 2.127 235 R HA -0.159 5.796 4.340 2.692 0.000 0.238 235 R C 1.826 178.205 176.300 0.131 0.000 1.134 235 R CA 1.431 57.576 56.100 0.074 0.000 0.975 235 R CB -0.115 30.233 30.300 0.080 0.000 0.865 235 R HN 0.376 nan 8.270 nan 0.000 0.447 236 L N 1.110 122.425 121.223 0.153 0.000 2.592 236 L HA 0.134 6.089 4.340 2.692 0.000 0.227 236 L C 0.978 177.948 176.870 0.166 0.000 1.127 236 L CA -0.115 54.831 54.840 0.176 0.000 0.884 236 L CB 0.123 42.323 42.059 0.235 0.000 1.065 236 L HN 0.219 nan 8.230 nan 0.000 0.457 237 S N -1.761 114.031 115.700 0.152 0.000 2.681 237 S HA 0.103 6.188 4.470 2.692 0.000 0.270 237 S C 0.828 175.510 174.600 0.137 0.000 1.209 237 S CA -0.646 57.642 58.200 0.146 0.000 0.988 237 S CB 1.219 64.506 63.200 0.145 0.000 1.006 237 S HN 0.050 nan 8.310 nan 0.000 0.558 238 D N 0.487 120.966 120.400 0.132 0.000 2.271 238 D HA -0.058 6.198 4.640 2.692 0.000 0.207 238 D C 1.557 177.936 176.300 0.132 0.000 0.983 238 D CA 1.046 55.121 54.000 0.125 0.000 0.878 238 D CB -0.343 40.527 40.800 0.116 0.000 0.920 238 D HN 0.507 nan 8.370 nan 0.000 0.479 239 L N -0.545 120.764 121.223 0.144 0.000 2.446 239 L HA 0.168 6.124 4.340 2.692 0.000 0.219 239 L C 1.823 178.790 176.870 0.162 0.000 1.116 239 L CA 0.226 55.163 54.840 0.161 0.000 0.844 239 L CB -0.107 42.054 42.059 0.170 0.000 0.970 239 L HN -0.026 nan 8.230 nan 0.000 0.457 240 G N -1.603 107.268 108.800 0.118 0.000 3.182 240 G HA2 -0.035 5.540 3.960 2.692 0.000 0.167 240 G HA3 -0.035 5.540 3.960 2.692 0.000 0.167 240 G C -0.892 174.094 174.900 0.143 0.000 1.537 240 G CA -0.322 44.835 45.100 0.096 0.000 1.046 240 G HN -0.006 nan 8.290 nan 0.000 0.580 241 Y N 2.436 122.748 120.300 0.019 0.000 2.568 241 Y HA 0.363 6.528 4.550 2.690 0.000 0.338 241 Y C 0.478 176.372 175.900 -0.010 0.000 1.245 241 Y CA -0.362 57.714 58.100 -0.040 0.000 1.667 241 Y CB -0.620 37.779 38.460 -0.101 0.000 1.568 241 Y HN 0.146 nan 8.280 nan 0.000 0.471 242 T N 3.494 118.030 114.554 -0.029 0.000 2.904 242 T HA 0.070 6.036 4.350 2.692 0.000 0.290 242 T C 0.819 175.588 174.700 0.116 0.000 1.018 242 T CA -0.690 61.455 62.100 0.076 0.000 1.075 242 T CB 0.638 69.566 68.868 0.099 0.000 0.986 242 T HN 0.699 nan 8.240 nan 0.000 0.523 243 N N 0.760 119.566 118.700 0.177 0.000 2.241 243 N HA 0.051 6.406 4.740 2.692 0.000 0.238 243 N C 0.827 176.443 175.510 0.177 0.000 1.244 243 N CA -0.404 52.776 53.050 0.215 0.000 0.880 243 N CB 0.174 38.809 38.487 0.247 0.000 1.179 243 N HN 0.547 nan 8.380 nan 0.000 0.513 244 K N 1.445 121.940 120.400 0.158 0.000 2.026 244 K HA -0.101 5.835 4.320 2.692 0.000 0.208 244 K C 1.353 178.027 176.600 0.122 0.000 1.048 244 K CA 1.950 58.313 56.287 0.127 0.000 0.929 244 K CB -0.069 32.499 32.500 0.112 0.000 0.713 244 K HN 0.214 nan 8.250 nan 0.000 0.439 245 S N 0.585 116.381 115.700 0.159 0.000 2.461 245 S HA -0.218 5.867 4.470 2.692 0.000 0.246 245 S C 1.403 176.078 174.600 0.125 0.000 1.007 245 S CA 1.428 59.714 58.200 0.143 0.000 0.976 245 S CB -0.315 63.048 63.200 0.271 0.000 0.763 245 S HN 0.480 nan 8.310 nan 0.000 0.508 246 Q N 0.411 120.295 119.800 0.140 0.000 2.189 246 Q HA 0.191 6.147 4.340 2.692 0.000 0.223 246 Q C 1.602 177.657 176.000 0.093 0.000 0.828 246 Q CA 0.419 56.292 55.803 0.117 0.000 0.967 246 Q CB 0.405 29.222 28.738 0.131 0.000 1.139 246 Q HN 0.724 nan 8.270 nan 0.000 0.497 247 S N 0.290 116.044 115.700 0.090 0.000 2.507 247 S HA -0.063 6.022 4.470 2.692 0.000 0.235 247 S C 1.407 176.040 174.600 0.055 0.000 0.988 247 S CA 0.813 59.062 58.200 0.082 0.000 0.944 247 S CB -0.088 63.161 63.200 0.083 0.000 0.762 247 S HN 0.214 nan 8.310 nan 0.000 0.526 248 N N 1.075 119.799 118.700 0.039 0.000 2.398 248 N HA 0.268 6.624 4.740 2.692 0.000 0.188 248 N C 1.113 176.628 175.510 0.009 0.000 1.122 248 N CA 0.143 53.205 53.050 0.019 0.000 0.866 248 N CB -0.459 38.032 38.487 0.007 0.000 0.970 248 N HN 0.422 nan 8.380 nan 0.000 0.462 249 L N -0.791 120.442 121.223 0.015 0.000 2.456 249 L HA 0.035 5.991 4.340 2.692 0.000 0.224 249 L C 1.239 178.092 176.870 -0.029 0.000 1.148 249 L CA 0.641 55.478 54.840 -0.004 0.000 0.825 249 L CB -0.751 41.309 42.059 0.003 0.000 0.937 249 L HN 0.250 nan 8.230 nan 0.000 0.450 250 G N 1.209 109.995 108.800 -0.024 0.000 2.233 250 G HA2 -0.324 5.251 3.960 2.692 0.000 0.270 250 G HA3 -0.324 5.251 3.960 2.692 0.000 0.270 250 G C 0.218 175.065 174.900 -0.088 0.000 1.011 250 G CA 0.132 45.205 45.100 -0.045 0.000 0.762 250 G HN 0.344 nan 8.290 nan 0.000 0.511 251 I N 1.629 122.135 120.570 -0.107 0.000 2.556 251 I HA 0.416 6.202 4.170 2.692 0.000 0.284 251 I C 1.238 177.175 176.117 -0.300 0.000 1.114 251 I CA 0.897 62.072 61.300 -0.208 0.000 1.418 251 I CB 0.994 38.872 38.000 -0.203 0.000 1.394 251 I HN 0.338 nan 8.210 nan 0.000 0.552 252 T N 2.261 116.593 114.554 -0.371 0.000 2.926 252 T HA 0.572 6.537 4.350 2.692 0.000 0.289 252 T C -0.367 173.966 174.700 -0.611 0.000 1.054 252 T CA -0.579 61.281 62.100 -0.399 0.000 1.015 252 T CB 1.328 70.078 68.868 -0.196 0.000 1.167 252 T HN 0.205 nan 8.240 nan 0.000 0.526 253 F N 1.256 121.153 119.950 -0.089 0.000 2.739 253 F HA 0.454 6.597 4.527 2.693 0.000 0.345 253 F C 1.124 176.722 175.800 -0.336 0.000 1.373 253 F CA -0.988 56.921 58.000 -0.152 0.000 1.160 253 F CB 0.025 39.110 39.000 0.141 0.000 1.137 253 F HN 0.472 nan 8.300 nan 0.000 0.524 254 N N -0.110 118.361 118.700 -0.382 0.000 2.397 254 N HA 0.022 6.377 4.740 2.692 0.000 0.190 254 N C -0.240 175.010 175.510 -0.434 0.000 1.099 254 N CA 0.492 53.371 53.050 -0.284 0.000 0.876 254 N CB 1.006 39.398 38.487 -0.159 0.000 1.143 254 N HN 0.334 nan 8.380 nan 0.000 0.468 255 D N -0.059 119.931 120.400 -0.684 0.000 2.736 255 D HA 0.032 6.288 4.640 2.692 0.000 0.223 255 D C 0.445 176.500 176.300 -0.408 0.000 1.231 255 D CA -0.522 53.205 54.000 -0.454 0.000 0.818 255 D CB 2.026 42.697 40.800 -0.216 0.000 1.587 255 D HN -0.187 nan 8.370 nan 0.000 0.463 256 L N 4.059 125.266 121.223 -0.027 0.000 2.017 256 L HA -0.115 5.840 4.340 2.692 0.000 0.208 256 L C 1.653 178.718 176.870 0.325 0.000 1.073 256 L CA 1.695 56.724 54.840 0.314 0.000 0.745 256 L CB -0.770 41.452 42.059 0.271 0.000 0.894 256 L HN 0.511 nan 8.230 nan 0.000 0.432 257 Y N 0.348 120.685 120.300 0.062 0.000 2.200 257 Y HA -0.185 5.980 4.550 2.692 0.000 0.290 257 Y C 2.730 178.625 175.900 -0.009 0.000 1.137 257 Y CA 1.266 59.383 58.100 0.028 0.000 1.163 257 Y CB -0.914 37.548 38.460 0.004 0.000 0.988 257 Y HN 0.459 nan 8.280 nan 0.000 0.518 258 E N -0.583 119.686 120.200 0.116 0.000 2.038 258 E HA -0.300 5.665 4.350 2.692 0.000 0.195 258 E C 2.190 178.770 176.600 -0.033 0.000 1.000 258 E CA 1.439 57.837 56.400 -0.003 0.000 0.803 258 E CB -0.520 29.134 29.700 -0.075 0.000 0.750 258 E HN 0.415 nan 8.360 nan 0.000 0.448 259 Y N 0.987 121.199 120.300 -0.148 0.000 2.053 259 Y HA -0.295 5.870 4.550 2.692 0.000 0.277 259 Y C 2.131 178.013 175.900 -0.030 0.000 1.159 259 Y CA 1.993 60.015 58.100 -0.130 0.000 1.125 259 Y CB -0.675 37.796 38.460 0.017 0.000 0.969 259 Y HN -0.065 nan 8.280 nan 0.000 0.492 260 V N 0.571 120.476 119.914 -0.015 0.000 2.407 260 V HA -0.323 5.412 4.120 2.692 0.000 0.248 260 V C 2.682 178.691 176.094 -0.142 0.000 1.055 260 V CA 1.798 64.037 62.300 -0.102 0.000 1.049 260 V CB -1.600 30.272 31.823 0.082 0.000 0.662 260 V HN 0.618 nan 8.190 nan 0.000 0.455 261 A N 0.445 123.210 122.820 -0.091 0.000 1.902 261 A HA -0.073 5.862 4.320 2.692 0.000 0.217 261 A C 2.417 179.927 177.584 -0.123 0.000 1.181 261 A CA 1.851 53.833 52.037 -0.092 0.000 0.623 261 A CB -1.145 17.818 19.000 -0.062 0.000 0.818 261 A HN 0.524 nan 8.150 nan 0.000 0.443 262 G N -0.489 108.212 108.800 -0.164 0.000 2.422 262 G HA2 -0.086 5.490 3.960 2.692 0.000 0.218 262 G HA3 -0.086 5.490 3.960 2.692 0.000 0.218 262 G C 1.465 176.246 174.900 -0.197 0.000 1.140 262 G CA 1.197 46.192 45.100 -0.175 0.000 0.775 262 G HN 0.484 nan 8.290 nan 0.000 0.545 263 L N 0.106 121.156 121.223 -0.288 0.000 2.131 263 L HA 0.249 6.205 4.340 2.692 0.000 0.206 263 L C 2.560 179.341 176.870 -0.149 0.000 1.087 263 L CA 1.502 56.181 54.840 -0.268 0.000 0.767 263 L CB -0.239 41.546 42.059 -0.457 0.000 0.917 263 L HN -0.007 nan 8.230 nan 0.000 0.441 264 K N -0.620 119.700 120.400 -0.134 0.000 2.062 264 K HA -0.187 5.748 4.320 2.692 0.000 0.205 264 K C 2.029 178.588 176.600 -0.068 0.000 1.051 264 K CA 1.437 57.673 56.287 -0.085 0.000 0.941 264 K CB -0.168 32.285 32.500 -0.079 0.000 0.719 264 K HN 0.480 nan 8.250 nan 0.000 0.440 265 Q N 0.410 120.164 119.800 -0.076 0.000 2.291 265 Q HA -0.092 5.864 4.340 2.692 0.000 0.206 265 Q C 1.694 177.666 176.000 -0.047 0.000 0.976 265 Q CA 1.036 56.803 55.803 -0.059 0.000 0.875 265 Q CB 0.068 28.768 28.738 -0.063 0.000 0.927 265 Q HN 0.294 nan 8.270 nan 0.000 0.450 266 A N 0.292 123.080 122.820 -0.054 0.000 2.021 266 A HA -0.031 5.905 4.320 2.692 0.000 0.216 266 A C 1.767 179.348 177.584 -0.005 0.000 1.163 266 A CA 0.414 52.433 52.037 -0.030 0.000 0.676 266 A CB -0.110 18.867 19.000 -0.038 0.000 0.818 266 A HN 0.392 nan 8.150 nan 0.000 0.453 267 I N -0.371 120.192 120.570 -0.011 0.000 2.676 267 I HA -0.097 5.688 4.170 2.692 0.000 0.259 267 I C 1.501 177.623 176.117 0.009 0.000 1.194 267 I CA 1.253 62.557 61.300 0.008 0.000 1.473 267 I CB -0.726 37.274 38.000 0.001 0.000 1.096 267 I HN 0.325 nan 8.210 nan 0.000 0.443 268 K N 0.130 120.527 120.400 -0.005 0.000 2.374 268 K HA 0.113 6.049 4.320 2.692 0.000 0.196 268 K C 0.244 176.843 176.600 -0.001 0.000 1.023 268 K CA 0.061 56.344 56.287 -0.006 0.000 1.103 268 K CB 0.425 32.913 32.500 -0.019 0.000 0.848 268 K HN 0.072 nan 8.250 nan 0.000 0.528 269 T N 4.374 118.931 114.554 0.004 0.000 2.728 269 T HA 0.188 6.153 4.350 2.692 0.000 0.296 269 T C -2.556 172.154 174.700 0.016 0.000 0.940 269 T CA -1.609 60.493 62.100 0.003 0.000 1.013 269 T CB 1.293 70.161 68.868 0.000 0.000 0.912 269 T HN 0.023 nan 8.240 nan 0.000 0.484 270 P HA 0.228 nan 4.420 nan 0.000 0.275 270 P C -0.634 176.664 177.300 -0.002 0.000 1.227 270 P CA -0.436 62.673 63.100 0.014 0.000 0.781 270 P CB 0.890 32.592 31.700 0.003 0.000 0.906 271 S N 1.431 117.133 115.700 0.003 0.000 2.454 271 S HA 0.191 6.276 4.470 2.692 0.000 0.306 271 S C 1.051 175.593 174.600 -0.097 0.000 1.100 271 S CA -0.529 57.619 58.200 -0.088 0.000 1.087 271 S CB 0.996 64.083 63.200 -0.188 0.000 1.019 271 S HN 0.440 nan 8.310 nan 0.000 0.480 272 E N 2.082 122.209 120.200 -0.123 0.000 2.072 272 E HA -0.137 5.828 4.350 2.692 0.000 0.191 272 E C 1.417 177.954 176.600 -0.105 0.000 0.985 272 E CA 1.040 57.386 56.400 -0.089 0.000 0.801 272 E CB 0.007 29.661 29.700 -0.078 0.000 0.750 272 E HN 0.840 nan 8.360 nan 0.000 0.452 273 E N -0.432 119.643 120.200 -0.208 0.000 2.150 273 E HA -0.177 5.788 4.350 2.692 0.000 0.193 273 E C 1.298 177.858 176.600 -0.067 0.000 0.985 273 E CA 1.201 57.480 56.400 -0.202 0.000 0.814 273 E CB -0.060 29.426 29.700 -0.355 0.000 0.752 273 E HN 0.316 nan 8.360 nan 0.000 0.466 274 Y N -0.595 119.672 120.300 -0.055 0.000 2.448 274 Y HA 0.332 6.497 4.550 2.692 0.000 0.289 274 Y C 2.117 177.992 175.900 -0.042 0.000 1.114 274 Y CA 0.268 58.330 58.100 -0.064 0.000 1.235 274 Y CB -1.013 37.403 38.460 -0.073 0.000 1.045 274 Y HN 0.116 nan 8.280 nan 0.000 0.554 275 A N 0.657 123.538 122.820 0.101 0.000 1.948 275 A HA -0.261 5.675 4.320 2.692 0.000 0.220 275 A C 2.233 179.839 177.584 0.037 0.000 1.177 275 A CA 2.015 54.083 52.037 0.051 0.000 0.636 275 A CB -0.554 18.459 19.000 0.022 0.000 0.815 275 A HN 0.402 nan 8.150 nan 0.000 0.449 276 K N -0.701 119.719 120.400 0.032 0.000 2.148 276 K HA 0.015 5.950 4.320 2.692 0.000 0.204 276 K C 1.654 178.268 176.600 0.024 0.000 1.050 276 K CA 1.260 57.558 56.287 0.020 0.000 0.942 276 K CB -0.297 32.209 32.500 0.009 0.000 0.724 276 K HN 0.573 nan 8.250 nan 0.000 0.446 277 I N 0.675 121.269 120.570 0.039 0.000 2.394 277 I HA -0.124 5.662 4.170 2.692 0.000 0.251 277 I C 0.946 177.073 176.117 0.016 0.000 1.136 277 I CA 0.629 61.943 61.300 0.025 0.000 1.425 277 I CB -0.579 37.434 38.000 0.020 0.000 1.079 277 I HN 0.273 nan 8.210 nan 0.000 0.425 278 G N 0.465 109.278 108.800 0.022 0.000 2.722 278 G HA2 -0.214 5.362 3.960 2.692 0.000 0.686 278 G HA3 -0.214 5.362 3.960 2.692 0.000 0.686 278 G C 0.205 175.112 174.900 0.013 0.000 1.282 278 G CA -0.372 44.738 45.100 0.017 0.000 0.817 278 G HN 0.190 nan 8.290 nan 0.000 0.605 279 I N 0.495 121.073 120.570 0.013 0.000 2.296 279 I HA 0.123 5.909 4.170 2.692 0.000 0.242 279 I C 1.422 177.547 176.117 0.012 0.000 1.087 279 I CA 1.219 62.526 61.300 0.012 0.000 1.393 279 I CB 0.066 38.074 38.000 0.013 0.000 1.093 279 I HN 0.620 nan 8.210 nan 0.000 0.421 280 E N 1.213 121.420 120.200 0.012 0.000 2.199 280 E HA 0.391 6.356 4.350 2.692 0.000 0.269 280 E C -0.784 175.823 176.600 0.013 0.000 0.899 280 E CA -0.634 55.775 56.400 0.014 0.000 0.772 280 E CB 1.734 31.441 29.700 0.011 0.000 1.155 280 E HN -0.053 nan 8.360 nan 0.000 0.408 281 K N 3.491 123.899 120.400 0.015 0.000 2.553 281 K HA 0.173 6.109 4.320 2.692 0.000 0.250 281 K C -1.330 175.279 176.600 0.014 0.000 0.953 281 K CA -0.493 55.801 56.287 0.013 0.000 0.800 281 K CB 1.034 33.540 32.500 0.011 0.000 1.243 281 K HN 0.448 nan 8.250 nan 0.000 0.435 282 D N 3.704 124.111 120.400 0.012 0.000 2.692 282 D HA -0.207 6.049 4.640 2.692 0.000 0.233 282 D C 0.813 177.123 176.300 0.017 0.000 1.172 282 D CA 2.120 56.128 54.000 0.013 0.000 0.636 282 D CB -1.069 39.737 40.800 0.011 0.000 1.028 282 D HN 1.078 nan 8.370 nan 0.000 0.419 283 G N -1.276 107.535 108.800 0.019 0.000 2.302 283 G HA2 -0.397 5.178 3.960 2.692 0.000 0.263 283 G HA3 -0.397 5.178 3.960 2.692 0.000 0.263 283 G C 0.446 175.366 174.900 0.033 0.000 0.995 283 G CA 0.912 46.026 45.100 0.025 0.000 0.622 283 G HN 0.725 nan 8.290 nan 0.000 0.538 284 K N 1.372 121.791 120.400 0.032 0.000 2.234 284 K HA 0.593 6.529 4.320 2.692 0.000 0.277 284 K C 0.919 177.544 176.600 0.042 0.000 1.038 284 K CA -0.514 55.797 56.287 0.040 0.000 0.888 284 K CB 0.249 32.768 32.500 0.032 0.000 1.091 284 K HN 0.607 nan 8.250 nan 0.000 0.467 285 R N 3.531 124.067 120.500 0.060 0.000 2.537 285 R HA 0.262 6.218 4.340 2.692 0.000 0.280 285 R C 0.801 177.129 176.300 0.048 0.000 1.058 285 R CA -0.061 56.074 56.100 0.057 0.000 1.057 285 R CB 0.318 30.670 30.300 0.086 0.000 0.973 285 R HN 0.588 nan 8.270 nan 0.000 0.438 286 L N 0.872 122.112 121.223 0.029 0.000 2.840 286 L HA 0.124 6.079 4.340 2.692 0.000 0.249 286 L C 0.317 177.184 176.870 -0.005 0.000 1.119 286 L CA 0.107 54.955 54.840 0.013 0.000 0.930 286 L CB 0.192 42.253 42.059 0.003 0.000 1.295 286 L HN 0.701 nan 8.230 nan 0.000 0.534 287 Q N -1.862 117.938 119.800 -0.000 0.000 2.687 287 Q HA 0.364 6.320 4.340 2.692 0.000 0.295 287 Q C 0.220 176.228 176.000 0.013 0.000 0.920 287 Q CA -0.780 55.013 55.803 -0.017 0.000 0.766 287 Q CB 1.792 30.488 28.738 -0.070 0.000 1.467 287 Q HN -0.134 nan 8.270 nan 0.000 0.415 288 I N 0.202 120.783 120.570 0.019 0.000 2.406 288 I HA -0.072 5.713 4.170 2.692 0.000 0.249 288 I C 0.291 176.440 176.117 0.053 0.000 1.122 288 I CA 1.341 62.671 61.300 0.050 0.000 1.431 288 I CB -0.039 37.992 38.000 0.051 0.000 1.087 288 I HN 0.766 nan 8.210 nan 0.000 0.424 289 N N -1.633 117.088 118.700 0.035 0.000 3.449 289 N HA 0.058 6.414 4.740 2.692 0.000 0.312 289 N C -0.239 175.287 175.510 0.026 0.000 1.582 289 N CA -0.069 53.002 53.050 0.034 0.000 0.850 289 N CB 0.668 39.181 38.487 0.045 0.000 1.822 289 N HN -0.178 nan 8.380 nan 0.000 0.577 290 S N -1.795 113.935 115.700 0.050 0.000 2.664 290 S HA 0.376 6.462 4.470 2.692 0.000 0.245 290 S C -0.674 174.014 174.600 0.147 0.000 1.019 290 S CA -0.699 57.556 58.200 0.091 0.000 0.996 290 S CB -0.968 62.275 63.200 0.073 0.000 0.878 290 S HN 0.470 nan 8.310 nan 0.000 0.493 291 N N 0.890 119.663 118.700 0.123 0.000 2.489 291 N HA 0.324 6.680 4.740 2.692 0.000 0.284 291 N C 1.392 177.029 175.510 0.211 0.000 1.158 291 N CA -0.472 52.656 53.050 0.130 0.000 0.965 291 N CB 1.634 40.163 38.487 0.071 0.000 1.195 291 N HN -0.035 nan 8.380 nan 0.000 0.506 292 V N 0.554 120.576 119.914 0.180 0.000 2.324 292 V HA -0.159 5.577 4.120 2.692 0.000 0.250 292 V C 0.978 177.194 176.094 0.203 0.000 1.060 292 V CA 1.531 63.968 62.300 0.229 0.000 1.042 292 V CB -0.348 31.541 31.823 0.112 0.000 0.650 292 V HN 0.450 nan 8.190 nan 0.000 0.450 293 L N -0.503 120.789 121.223 0.115 0.000 2.341 293 L HA 0.343 6.299 4.340 2.692 0.000 0.278 293 L C 0.893 177.815 176.870 0.087 0.000 1.005 293 L CA -0.303 54.590 54.840 0.088 0.000 0.818 293 L CB 1.814 43.906 42.059 0.055 0.000 1.259 293 L HN 0.075 nan 8.230 nan 0.000 0.418 294 Q N 2.843 122.715 119.800 0.120 0.000 2.096 294 Q HA 0.100 6.056 4.340 2.692 0.000 0.197 294 Q C 0.162 176.231 176.000 0.114 0.000 0.964 294 Q CA 1.201 57.080 55.803 0.126 0.000 0.838 294 Q CB 0.390 29.251 28.738 0.206 0.000 0.906 294 Q HN 0.675 nan 8.270 nan 0.000 0.444 295 I N -4.576 116.055 120.570 0.102 0.000 3.279 295 I HA 0.273 6.058 4.170 2.692 0.000 0.315 295 I C -0.019 176.113 176.117 0.025 0.000 1.187 295 I CA -0.963 60.358 61.300 0.035 0.000 0.953 295 I CB 1.633 39.609 38.000 -0.041 0.000 1.279 295 I HN -0.265 nan 8.210 nan 0.000 0.465 296 E N 1.215 121.425 120.200 0.016 0.000 2.118 296 E HA -0.176 5.790 4.350 2.692 0.000 0.195 296 E C 1.347 177.987 176.600 0.067 0.000 0.992 296 E CA 2.031 58.449 56.400 0.031 0.000 0.804 296 E CB -0.393 29.325 29.700 0.031 0.000 0.741 296 E HN 0.663 nan 8.360 nan 0.000 0.458 297 N N 0.834 119.565 118.700 0.053 0.000 2.258 297 N HA -0.206 6.150 4.740 2.692 0.000 0.187 297 N C 1.344 176.998 175.510 0.239 0.000 1.012 297 N CA 1.095 54.221 53.050 0.128 0.000 0.870 297 N CB -0.083 38.423 38.487 0.032 0.000 0.977 297 N HN 0.243 nan 8.380 nan 0.000 0.434 298 E N -0.131 120.173 120.200 0.172 0.000 2.478 298 E HA -0.043 5.923 4.350 2.692 0.000 0.198 298 E C -0.232 176.171 176.600 -0.329 0.000 1.046 298 E CA -0.220 56.177 56.400 -0.005 0.000 0.870 298 E CB 0.041 29.800 29.700 0.098 0.000 0.818 298 E HN 0.173 nan 8.360 nan 0.000 0.527 299 L N 2.169 123.381 121.223 -0.017 0.000 2.638 299 L HA -0.075 5.881 4.340 2.692 0.000 0.273 299 L C -0.834 176.183 176.870 0.246 0.000 1.147 299 L CA 0.375 55.256 54.840 0.070 0.000 0.941 299 L CB -0.061 42.094 42.059 0.160 0.000 1.251 299 L HN 0.033 nan 8.230 nan 0.000 0.479 300 Y N 5.021 125.439 120.300 0.195 0.000 2.960 300 Y HA 0.474 6.640 4.550 2.693 0.000 0.393 300 Y C 0.971 176.977 175.900 0.176 0.000 1.118 300 Y CA -0.717 57.502 58.100 0.199 0.000 1.850 300 Y CB -1.112 37.464 38.460 0.194 0.000 1.827 300 Y HN 0.672 nan 8.280 nan 0.000 0.463 301 A N 1.970 124.989 122.820 0.332 0.000 2.332 301 A HA 0.378 6.314 4.320 2.692 0.000 0.258 301 A C -1.144 176.501 177.584 0.101 0.000 1.087 301 A CA -1.186 51.008 52.037 0.263 0.000 0.802 301 A CB 0.370 19.607 19.000 0.396 0.000 1.042 301 A HN 0.212 nan 8.150 nan 0.000 0.489 302 P HA 0.134 nan 4.420 nan 0.000 0.241 302 P C 0.004 177.212 177.300 -0.155 0.000 1.191 302 P CA 0.950 63.995 63.100 -0.093 0.000 0.771 302 P CB 0.140 31.689 31.700 -0.252 0.000 0.929 303 I N -1.368 119.064 120.570 -0.231 0.000 2.828 303 I HA 0.383 6.169 4.170 2.692 0.000 0.295 303 I C -1.573 174.457 176.117 -0.146 0.000 1.459 303 I CA -1.017 60.080 61.300 -0.338 0.000 1.015 303 I CB 2.390 39.932 38.000 -0.763 0.000 1.345 303 I HN -0.260 nan 8.210 nan 0.000 0.449 304 R N 5.058 125.487 120.500 -0.119 0.000 2.774 304 R HA 0.559 6.514 4.340 2.692 0.000 0.272 304 R C -2.886 173.325 176.300 -0.148 0.000 1.000 304 R CA -1.835 54.263 56.100 -0.004 0.000 0.906 304 R CB 1.608 31.968 30.300 0.100 0.000 1.227 304 R HN 0.260 nan 8.270 nan 0.000 0.468 305 P HA 0.116 nan 4.420 nan 0.000 0.269 305 P C -1.054 176.038 177.300 -0.347 0.000 1.209 305 P CA -0.078 62.802 63.100 -0.366 0.000 0.776 305 P CB 0.627 32.023 31.700 -0.506 0.000 0.876 306 K N 1.943 122.031 120.400 -0.521 0.000 2.562 306 K HA 0.547 6.483 4.320 2.692 0.000 0.267 306 K C -0.977 175.291 176.600 -0.554 0.000 0.938 306 K CA -0.768 55.144 56.287 -0.625 0.000 0.840 306 K CB 3.167 34.945 32.500 -1.204 0.000 1.390 306 K HN 0.385 nan 8.250 nan 0.000 0.428 307 R N 1.661 121.993 120.500 -0.280 0.000 2.515 307 R HA 0.222 6.177 4.340 2.692 0.000 0.278 307 R C -1.101 175.231 176.300 0.053 0.000 1.107 307 R CA -0.570 55.491 56.100 -0.065 0.000 0.945 307 R CB 1.650 31.931 30.300 -0.033 0.000 1.219 307 R HN 0.354 nan 8.270 nan 0.000 0.434 308 V N 3.852 123.862 119.914 0.160 0.000 2.557 308 V HA 0.004 5.740 4.120 2.692 0.000 0.301 308 V C 0.792 176.931 176.094 0.075 0.000 1.026 308 V CA 0.546 62.929 62.300 0.138 0.000 1.137 308 V CB 0.694 32.589 31.823 0.121 0.000 0.917 308 V HN 0.880 nan 8.190 nan 0.000 0.484 309 T N 4.457 119.049 114.554 0.064 0.000 2.909 309 T HA 0.518 6.483 4.350 2.692 0.000 0.289 309 T C 0.098 174.819 174.700 0.034 0.000 1.005 309 T CA -0.813 61.313 62.100 0.043 0.000 1.084 309 T CB 0.990 69.881 68.868 0.040 0.000 0.975 309 T HN 0.598 nan 8.240 nan 0.000 0.509 310 R N 1.006 121.521 120.500 0.025 0.000 2.580 310 R HA 0.425 6.380 4.340 2.692 0.000 0.267 310 R C 0.625 176.934 176.300 0.016 0.000 1.125 310 R CA -0.699 55.412 56.100 0.019 0.000 1.188 310 R CB 0.429 30.737 30.300 0.015 0.000 1.155 310 R HN 0.706 nan 8.270 nan 0.000 0.586 311 S N -0.212 115.496 115.700 0.013 0.000 2.516 311 S HA 0.238 6.324 4.470 2.692 0.000 0.282 311 S C 1.107 175.715 174.600 0.014 0.000 1.286 311 S CA 1.030 59.239 58.200 0.014 0.000 1.066 311 S CB 0.243 63.451 63.200 0.012 0.000 0.884 311 S HN 0.779 nan 8.310 nan 0.000 0.491 312 G N 3.405 112.216 108.800 0.019 0.000 2.304 312 G HA2 -0.258 5.317 3.960 2.692 0.000 0.252 312 G HA3 -0.258 5.317 3.960 2.692 0.000 0.252 312 G C 0.073 174.966 174.900 -0.012 0.000 1.014 312 G CA 0.448 45.554 45.100 0.011 0.000 0.619 312 G HN 0.739 nan 8.290 nan 0.000 0.525 313 E N 1.502 121.699 120.200 -0.004 0.000 2.354 313 E HA 0.503 6.469 4.350 2.692 0.000 0.269 313 E C 1.038 177.636 176.600 -0.003 0.000 1.036 313 E CA 0.237 56.633 56.400 -0.007 0.000 0.876 313 E CB 0.519 30.221 29.700 0.004 0.000 1.009 313 E HN 0.531 nan 8.360 nan 0.000 0.416 314 S N 3.163 118.858 115.700 -0.009 0.000 2.652 314 S HA 0.257 6.343 4.470 2.692 0.000 0.270 314 S C -1.953 172.659 174.600 0.021 0.000 1.243 314 S CA -1.200 57.002 58.200 0.002 0.000 0.999 314 S CB 1.380 64.574 63.200 -0.011 0.000 0.973 314 S HN 0.360 nan 8.310 nan 0.000 0.544 315 P HA -0.110 nan 4.420 nan 0.000 0.215 315 P C 1.646 178.983 177.300 0.062 0.000 1.157 315 P CA 1.812 64.942 63.100 0.050 0.000 0.874 315 P CB -0.257 31.484 31.700 0.067 0.000 0.790 316 S N -0.902 114.834 115.700 0.060 0.000 2.399 316 S HA -0.168 5.918 4.470 2.692 0.000 0.231 316 S C 1.668 176.301 174.600 0.055 0.000 1.022 316 S CA 1.429 59.671 58.200 0.071 0.000 0.983 316 S CB -1.175 62.040 63.200 0.025 0.000 0.803 316 S HN 0.141 nan 8.310 nan 0.000 0.480 317 D N 2.022 122.439 120.400 0.028 0.000 2.123 317 D HA 0.121 6.376 4.640 2.692 0.000 0.200 317 D C 2.312 178.630 176.300 0.029 0.000 0.976 317 D CA 1.225 55.236 54.000 0.018 0.000 0.831 317 D CB -0.546 40.253 40.800 -0.001 0.000 0.974 317 D HN 0.432 nan 8.370 nan 0.000 0.469 318 A N 1.159 123.997 122.820 0.030 0.000 1.892 318 A HA -0.177 5.759 4.320 2.692 0.000 0.218 318 A C 2.431 180.038 177.584 0.037 0.000 1.188 318 A CA 1.081 53.136 52.037 0.030 0.000 0.631 318 A CB -0.902 18.114 19.000 0.027 0.000 0.822 318 A HN 0.223 nan 8.150 nan 0.000 0.447 319 L N -0.855 120.399 121.223 0.051 0.000 2.042 319 L HA -0.210 5.745 4.340 2.692 0.000 0.210 319 L C 2.588 179.515 176.870 0.095 0.000 1.076 319 L CA 1.311 56.191 54.840 0.066 0.000 0.749 319 L CB -0.535 41.596 42.059 0.120 0.000 0.893 319 L HN 0.403 nan 8.230 nan 0.000 0.432 320 L N -0.758 120.530 121.223 0.107 0.000 2.141 320 L HA -0.179 5.776 4.340 2.692 0.000 0.209 320 L C 2.815 179.743 176.870 0.097 0.000 1.094 320 L CA 0.957 55.877 54.840 0.132 0.000 0.763 320 L CB -0.504 41.604 42.059 0.081 0.000 0.908 320 L HN 0.284 nan 8.230 nan 0.000 0.437 321 R N 0.407 120.942 120.500 0.060 0.000 2.066 321 R HA -0.099 5.857 4.340 2.692 0.000 0.232 321 R C 1.732 178.055 176.300 0.040 0.000 1.131 321 R CA 1.626 57.752 56.100 0.043 0.000 0.955 321 R CB -0.213 30.104 30.300 0.029 0.000 0.851 321 R HN 0.328 nan 8.270 nan 0.000 0.432 322 G N -0.916 107.905 108.800 0.035 0.000 3.274 322 G HA2 0.399 5.974 3.960 2.692 0.000 0.250 322 G HA3 0.399 5.974 3.960 2.692 0.000 0.250 322 G C 0.133 175.041 174.900 0.013 0.000 1.024 322 G CA 0.206 45.320 45.100 0.024 0.000 0.840 322 G HN 0.726 nan 8.290 nan 0.000 0.522 323 G N 0.261 109.074 108.800 0.022 0.000 2.782 323 G HA2 -0.213 5.362 3.960 2.692 0.000 0.228 323 G HA3 -0.213 5.362 3.960 2.692 0.000 0.228 323 G C -0.091 174.788 174.900 -0.035 0.000 1.372 323 G CA -0.419 44.682 45.100 0.002 0.000 0.862 323 G HN 0.555 nan 8.290 nan 0.000 0.547 324 I N 0.983 121.505 120.570 -0.080 0.000 2.556 324 I HA 0.178 5.964 4.170 2.692 0.000 0.284 324 I C 1.473 177.538 176.117 -0.087 0.000 1.114 324 I CA 0.412 61.616 61.300 -0.160 0.000 1.418 324 I CB 1.373 39.208 38.000 -0.275 0.000 1.394 324 I HN 0.860 nan 8.210 nan 0.000 0.552 325 E N 6.100 126.208 120.200 -0.153 0.000 2.132 325 E HA -0.006 5.960 4.350 2.692 0.000 0.193 325 E C -0.676 175.878 176.600 -0.077 0.000 0.951 325 E CA 0.381 56.773 56.400 -0.013 0.000 0.843 325 E CB 0.582 30.332 29.700 0.085 0.000 0.807 325 E HN 0.626 nan 8.360 nan 0.000 0.467 326 Y N -0.790 119.261 120.300 -0.416 0.000 2.670 326 Y HA 0.489 6.654 4.550 2.692 0.000 0.334 326 Y C -1.226 174.355 175.900 -0.532 0.000 1.185 326 Y CA -1.782 56.002 58.100 -0.527 0.000 1.053 326 Y CB 0.634 38.938 38.460 -0.261 0.000 1.298 326 Y HN -0.088 nan 8.280 nan 0.000 0.459 327 I N -0.406 119.992 120.570 -0.286 0.000 2.530 327 I HA 0.571 6.357 4.170 2.692 0.000 0.297 327 I C -0.647 175.480 176.117 0.016 0.000 1.011 327 I CA -1.030 60.125 61.300 -0.242 0.000 1.107 327 I CB 2.151 40.056 38.000 -0.158 0.000 1.285 327 I HN 0.776 nan 8.210 nan 0.000 0.436 328 E N 5.389 125.551 120.200 -0.064 0.000 2.063 328 E HA 0.371 6.336 4.350 2.692 0.000 0.265 328 E C -1.356 175.199 176.600 -0.074 0.000 0.919 328 E CA -0.696 55.721 56.400 0.029 0.000 0.756 328 E CB 1.304 31.032 29.700 0.046 0.000 1.120 328 E HN 0.642 nan 8.360 nan 0.000 0.414 329 V N 5.905 125.825 119.914 0.009 0.000 2.479 329 V HA 0.111 5.846 4.120 2.692 0.000 0.281 329 V C 1.115 177.210 176.094 0.001 0.000 1.031 329 V CA 0.258 62.545 62.300 -0.022 0.000 1.038 329 V CB 0.741 32.692 31.823 0.212 0.000 0.981 329 V HN 0.721 nan 8.190 nan 0.000 0.478 330 R N 2.198 122.637 120.500 -0.103 0.000 2.437 330 R HA 0.080 6.035 4.340 2.692 0.000 0.257 330 R C 1.573 177.911 176.300 0.065 0.000 0.927 330 R CA 0.586 56.531 56.100 -0.258 0.000 1.078 330 R CB 0.500 30.511 30.300 -0.483 0.000 1.161 330 R HN 0.776 nan 8.270 nan 0.000 0.529 331 S N -0.108 115.730 115.700 0.230 0.000 2.577 331 S HA 0.193 6.279 4.470 2.692 0.000 0.219 331 S C 0.595 175.374 174.600 0.299 0.000 0.962 331 S CA -0.342 58.042 58.200 0.306 0.000 0.921 331 S CB 0.124 63.618 63.200 0.489 0.000 0.789 331 S HN 0.123 nan 8.310 nan 0.000 0.497 332 L N 3.064 124.457 121.223 0.283 0.000 2.313 332 L HA 0.351 6.307 4.340 2.692 0.000 0.282 332 L C -0.381 176.622 176.870 0.221 0.000 1.092 332 L CA -0.576 54.417 54.840 0.255 0.000 0.831 332 L CB 0.548 42.750 42.059 0.238 0.000 1.159 332 L HN 0.180 nan 8.230 nan 0.000 0.442 333 D N 3.257 123.783 120.400 0.210 0.000 2.360 333 D HA 0.162 6.417 4.640 2.692 0.000 0.242 333 D C 0.429 176.828 176.300 0.166 0.000 1.184 333 D CA -0.282 53.822 54.000 0.173 0.000 0.930 333 D CB 0.946 41.847 40.800 0.169 0.000 1.161 333 D HN 0.129 nan 8.370 nan 0.000 0.447 334 I N 1.840 122.482 120.570 0.120 0.000 2.683 334 I HA -0.114 5.671 4.170 2.692 0.000 0.286 334 I C 0.931 177.086 176.117 0.063 0.000 1.175 334 I CA 0.065 61.420 61.300 0.090 0.000 1.429 334 I CB -0.717 37.320 38.000 0.061 0.000 1.371 334 I HN 0.221 nan 8.210 nan 0.000 0.569 335 N N 10.185 128.919 118.700 0.056 0.000 2.402 335 N HA 0.130 6.485 4.740 2.692 0.000 0.259 335 N C -1.584 173.798 175.510 -0.214 0.000 1.167 335 N CA -1.858 51.169 53.050 -0.038 0.000 0.949 335 N CB 0.916 39.438 38.487 0.057 0.000 1.212 335 N HN 0.307 nan 8.380 nan 0.000 0.493 336 P HA -0.045 nan 4.420 nan 0.000 0.230 336 P C 0.162 177.199 177.300 -0.438 0.000 1.158 336 P CA 0.862 63.692 63.100 -0.450 0.000 0.769 336 P CB -0.036 31.258 31.700 -0.677 0.000 0.807 337 F N -0.367 119.516 119.950 -0.111 0.000 2.660 337 F HA 0.279 6.418 4.527 2.686 0.000 0.302 337 F C 1.143 176.850 175.800 -0.154 0.000 1.103 337 F CA -0.263 57.663 58.000 -0.124 0.000 1.340 337 F CB -0.152 38.691 39.000 -0.262 0.000 1.048 337 F HN -0.156 nan 8.300 nan 0.000 0.551 338 S N 1.033 116.644 115.700 -0.148 0.000 2.594 338 S HA 0.391 6.476 4.470 2.692 0.000 0.296 338 S C -1.865 172.321 174.600 -0.689 0.000 1.124 338 S CA -1.601 56.407 58.200 -0.321 0.000 1.011 338 S CB 1.646 64.734 63.200 -0.188 0.000 1.016 338 S HN -0.181 nan 8.310 nan 0.000 0.485 339 P HA -0.055 nan 4.420 nan 0.000 0.221 339 P C 1.101 178.023 177.300 -0.630 0.000 1.145 339 P CA 1.044 63.436 63.100 -1.180 0.000 0.795 339 P CB -0.340 30.874 31.700 -0.811 0.000 0.775 340 I N -6.233 113.984 120.570 -0.588 0.000 3.928 340 I HA 0.511 6.297 4.170 2.692 0.000 0.335 340 I C 1.185 177.191 176.117 -0.186 0.000 1.325 340 I CA 0.319 61.188 61.300 -0.719 0.000 1.107 340 I CB -0.568 36.960 38.000 -0.788 0.000 1.014 340 I HN 0.001 nan 8.210 nan 0.000 0.400 341 G N 1.175 109.896 108.800 -0.131 0.000 2.179 341 G HA2 -0.238 5.338 3.960 2.692 0.000 0.260 341 G HA3 -0.238 5.338 3.960 2.692 0.000 0.260 341 G C 0.014 174.929 174.900 0.025 0.000 0.977 341 G CA 0.220 45.320 45.100 -0.001 0.000 0.641 341 G HN 0.824 nan 8.290 nan 0.000 0.533 342 V N 0.499 120.406 119.914 -0.011 0.000 3.108 342 V HA 0.622 6.358 4.120 2.692 0.000 0.287 342 V C -1.653 174.431 176.094 -0.016 0.000 1.436 342 V CA 0.202 62.514 62.300 0.020 0.000 1.001 342 V CB 2.255 34.119 31.823 0.067 0.000 1.141 342 V HN 0.861 nan 8.190 nan 0.000 0.443 343 D N 2.317 122.711 120.400 -0.009 0.000 2.614 343 D HA 0.342 6.597 4.640 2.692 0.000 0.264 343 D C 0.550 176.837 176.300 -0.021 0.000 1.092 343 D CA 0.083 54.073 54.000 -0.016 0.000 1.071 343 D CB 1.549 42.353 40.800 0.007 0.000 1.443 343 D HN 0.586 nan 8.370 nan 0.000 0.528 344 E N -0.778 119.413 120.200 -0.016 0.000 2.158 344 E HA -0.207 5.758 4.350 2.692 0.000 0.191 344 E C 1.635 178.223 176.600 -0.021 0.000 0.982 344 E CA 0.611 57.002 56.400 -0.015 0.000 0.823 344 E CB 0.087 29.773 29.700 -0.024 0.000 0.766 344 E HN 0.540 nan 8.360 nan 0.000 0.468 345 Q N 0.272 120.066 119.800 -0.009 0.000 2.135 345 Q HA -0.250 5.706 4.340 2.692 0.000 0.204 345 Q C 2.057 178.054 176.000 -0.005 0.000 0.981 345 Q CA 1.850 57.667 55.803 0.023 0.000 0.856 345 Q CB 0.066 28.844 28.738 0.067 0.000 0.902 345 Q HN 0.433 nan 8.270 nan 0.000 0.425 346 Q N -0.652 119.024 119.800 -0.206 0.000 2.083 346 Q HA -0.088 5.867 4.340 2.692 0.000 0.198 346 Q C 2.211 178.118 176.000 -0.157 0.000 0.969 346 Q CA 1.420 56.941 55.803 -0.470 0.000 0.838 346 Q CB 0.146 28.446 28.738 -0.730 0.000 0.900 346 Q HN 0.227 nan 8.270 nan 0.000 0.436 347 V N 1.103 120.972 119.914 -0.076 0.000 2.343 347 V HA -0.258 5.478 4.120 2.692 0.000 0.247 347 V C 2.215 178.342 176.094 0.056 0.000 1.051 347 V CA 1.783 64.086 62.300 0.006 0.000 1.036 347 V CB -0.456 31.442 31.823 0.126 0.000 0.654 347 V HN 0.279 nan 8.190 nan 0.000 0.451 348 R N -1.129 119.412 120.500 0.069 0.000 2.092 348 R HA -0.136 5.820 4.340 2.692 0.000 0.231 348 R C 2.239 178.674 176.300 0.225 0.000 1.119 348 R CA 1.802 57.972 56.100 0.116 0.000 0.970 348 R CB -0.410 29.834 30.300 -0.094 0.000 0.864 348 R HN 0.569 nan 8.270 nan 0.000 0.440 349 F N 1.317 121.314 119.950 0.079 0.000 2.146 349 F HA -0.120 6.025 4.527 2.697 0.000 0.298 349 F C 1.767 177.595 175.800 0.046 0.000 1.096 349 F CA 1.299 59.360 58.000 0.102 0.000 1.275 349 F CB -0.168 38.956 39.000 0.207 0.000 1.008 349 F HN -0.101 nan 8.300 nan 0.000 0.480 350 L N 0.015 121.143 121.223 -0.157 0.000 2.141 350 L HA -0.197 5.759 4.340 2.692 0.000 0.209 350 L C 2.098 178.781 176.870 -0.311 0.000 1.094 350 L CA 1.211 55.815 54.840 -0.394 0.000 0.763 350 L CB -0.826 40.706 42.059 -0.878 0.000 0.908 350 L HN 0.084 nan 8.230 nan 0.000 0.437 351 D N 0.286 120.646 120.400 -0.066 0.000 2.106 351 D HA -0.192 6.063 4.640 2.692 0.000 0.191 351 D C 2.336 178.589 176.300 -0.078 0.000 0.997 351 D CA 1.361 55.427 54.000 0.109 0.000 0.834 351 D CB -0.229 40.790 40.800 0.365 0.000 0.956 351 D HN 0.217 nan 8.370 nan 0.000 0.448 352 L N -0.596 120.557 121.223 -0.117 0.000 2.056 352 L HA -0.133 5.822 4.340 2.692 0.000 0.207 352 L C 2.339 179.079 176.870 -0.217 0.000 1.078 352 L CA 0.706 55.441 54.840 -0.175 0.000 0.749 352 L CB -0.397 41.549 42.059 -0.189 0.000 0.901 352 L HN -0.006 nan 8.230 nan 0.000 0.433 353 F N 0.149 119.751 119.950 -0.580 0.000 2.146 353 F HA -0.197 5.949 4.527 2.698 0.000 0.298 353 F C 2.411 178.098 175.800 -0.189 0.000 1.096 353 F CA 1.342 59.046 58.000 -0.493 0.000 1.275 353 F CB -0.078 38.442 39.000 -0.800 0.000 1.008 353 F HN -0.027 nan 8.300 nan 0.000 0.480 354 M N -0.185 119.168 119.600 -0.412 0.000 2.132 354 M HA -0.113 5.982 4.480 2.692 0.000 0.263 354 M C 2.295 178.358 176.300 -0.394 0.000 1.065 354 M CA 1.113 56.085 55.300 -0.547 0.000 1.122 354 M CB -1.380 30.558 32.600 -1.103 0.000 1.365 354 M HN 0.001 nan 8.290 nan 0.000 0.411 355 V N -1.423 118.325 119.914 -0.278 0.000 2.332 355 V HA -0.287 5.448 4.120 2.692 0.000 0.248 355 V C 2.084 178.138 176.094 -0.065 0.000 1.055 355 V CA 1.828 64.066 62.300 -0.103 0.000 1.038 355 V CB -0.801 31.004 31.823 -0.030 0.000 0.651 355 V HN 0.688 nan 8.190 nan 0.000 0.450 356 W N -0.218 120.934 121.300 -0.247 0.000 2.388 356 W HA -0.195 6.083 4.660 2.697 0.000 0.294 356 W C 2.480 178.863 176.519 -0.226 0.000 1.212 356 W CA 1.562 58.780 57.345 -0.211 0.000 1.271 356 W CB -0.453 28.861 29.460 -0.242 0.000 1.126 356 W HN 0.211 nan 8.180 nan 0.000 0.535 357 C N 0.627 119.839 119.300 -0.147 0.000 2.422 357 C HA -0.075 6.000 4.460 2.692 0.000 0.279 357 C C 2.961 177.823 174.990 -0.213 0.000 1.305 357 C CA 1.566 60.446 59.018 -0.229 0.000 1.757 357 C CB -1.732 25.890 27.740 -0.196 0.000 1.962 357 C HN 0.485 nan 8.230 nan 0.000 0.499 358 A N -0.425 122.296 122.820 -0.165 0.000 2.067 358 A HA 0.093 6.028 4.320 2.692 0.000 0.217 358 A C 2.026 179.563 177.584 -0.078 0.000 1.156 358 A CA 1.014 52.998 52.037 -0.088 0.000 0.683 358 A CB -0.302 18.602 19.000 -0.160 0.000 0.808 358 A HN 0.616 nan 8.150 nan 0.000 0.455 359 L N -0.976 120.132 121.223 -0.192 0.000 2.202 359 L HA 0.175 6.130 4.340 2.692 0.000 0.205 359 L C 1.578 178.247 176.870 -0.335 0.000 1.083 359 L CA 0.282 55.002 54.840 -0.200 0.000 0.790 359 L CB -0.430 41.519 42.059 -0.185 0.000 0.942 359 L HN 0.351 nan 8.230 nan 0.000 0.452 360 A N 0.204 122.677 122.820 -0.579 0.000 2.407 360 A HA 0.100 6.036 4.320 2.692 0.000 0.248 360 A C -0.342 177.073 177.584 -0.281 0.000 1.082 360 A CA -0.415 51.282 52.037 -0.566 0.000 0.785 360 A CB 0.052 18.426 19.000 -1.042 0.000 1.020 360 A HN 0.114 nan 8.150 nan 0.000 0.489 361 D N 0.727 121.022 120.400 -0.175 0.000 2.424 361 D HA 0.399 6.654 4.640 2.692 0.000 0.244 361 D C -0.012 176.275 176.300 -0.023 0.000 1.134 361 D CA 1.168 55.120 54.000 -0.081 0.000 0.881 361 D CB 1.142 41.912 40.800 -0.050 0.000 1.191 361 D HN 0.627 nan 8.370 nan 0.000 0.445 362 A N 4.000 126.824 122.820 0.008 0.000 2.522 362 A HA 0.488 6.423 4.320 2.692 0.000 0.285 362 A C -2.442 175.173 177.584 0.052 0.000 1.198 362 A CA -1.306 50.765 52.037 0.057 0.000 0.742 362 A CB 0.916 19.966 19.000 0.083 0.000 1.176 362 A HN 0.244 nan 8.150 nan 0.000 0.444 363 P HA 0.052 nan 4.420 nan 0.000 0.266 363 P C 0.066 177.390 177.300 0.041 0.000 1.193 363 P CA 0.246 63.370 63.100 0.040 0.000 0.770 363 P CB 0.484 32.211 31.700 0.044 0.000 0.836 364 E N 1.550 121.765 120.200 0.025 0.000 2.437 364 E HA 0.064 6.029 4.350 2.692 0.000 0.263 364 E C -0.189 176.424 176.600 0.022 0.000 1.030 364 E CA 0.641 57.051 56.400 0.017 0.000 0.934 364 E CB 0.197 29.895 29.700 -0.004 0.000 0.943 364 E HN 0.385 nan 8.360 nan 0.000 0.444 365 M N 1.771 121.384 119.600 0.021 0.000 2.263 365 M HA 0.173 6.269 4.480 2.692 0.000 0.295 365 M C -0.161 176.140 176.300 0.001 0.000 1.028 365 M CA -0.632 54.680 55.300 0.021 0.000 0.921 365 M CB 2.070 34.693 32.600 0.038 0.000 1.601 365 M HN 0.495 nan 8.290 nan 0.000 0.440 366 S N 1.035 116.735 115.700 -0.000 0.000 2.641 366 S HA 0.309 6.394 4.470 2.692 0.000 0.261 366 S C 0.960 175.552 174.600 -0.014 0.000 1.257 366 S CA -0.518 57.675 58.200 -0.013 0.000 0.983 366 S CB 0.838 64.034 63.200 -0.006 0.000 0.990 366 S HN 0.697 nan 8.310 nan 0.000 0.572 367 S N 1.203 116.890 115.700 -0.022 0.000 2.382 367 S HA -0.126 5.960 4.470 2.692 0.000 0.228 367 S C 2.146 176.750 174.600 0.006 0.000 1.027 367 S CA 1.275 59.464 58.200 -0.018 0.000 0.991 367 S CB -0.774 62.413 63.200 -0.023 0.000 0.823 367 S HN 0.940 nan 8.310 nan 0.000 0.469 368 S N 1.511 117.217 115.700 0.011 0.000 2.446 368 S HA 0.044 6.130 4.470 2.692 0.000 0.225 368 S C 1.579 176.199 174.600 0.035 0.000 1.016 368 S CA 0.442 58.656 58.200 0.024 0.000 0.943 368 S CB -0.268 62.945 63.200 0.020 0.000 0.786 368 S HN 0.522 nan 8.310 nan 0.000 0.508 369 E N 1.113 121.331 120.200 0.030 0.000 2.106 369 E HA 0.016 5.982 4.350 2.692 0.000 0.192 369 E C 1.996 178.626 176.600 0.050 0.000 0.984 369 E CA 1.188 57.612 56.400 0.040 0.000 0.806 369 E CB -0.303 29.418 29.700 0.034 0.000 0.750 369 E HN 0.503 nan 8.360 nan 0.000 0.458 370 L N 0.620 121.861 121.223 0.029 0.000 2.017 370 L HA -0.167 5.789 4.340 2.692 0.000 0.208 370 L C 2.591 179.509 176.870 0.080 0.000 1.073 370 L CA 1.015 55.864 54.840 0.016 0.000 0.745 370 L CB -0.463 41.556 42.059 -0.068 0.000 0.894 370 L HN 0.143 nan 8.230 nan 0.000 0.432 371 A N -1.212 121.652 122.820 0.072 0.000 2.024 371 A HA -0.244 5.692 4.320 2.692 0.000 0.220 371 A C 2.317 179.965 177.584 0.106 0.000 1.164 371 A CA 1.839 53.931 52.037 0.091 0.000 0.643 371 A CB -1.125 17.916 19.000 0.069 0.000 0.806 371 A HN 0.563 nan 8.150 nan 0.000 0.451 372 c N -0.439 118.221 118.600 0.099 0.000 2.481 372 c HA -0.012 6.173 4.570 2.692 0.000 0.275 372 c C 3.023 177.199 174.090 0.143 0.000 1.419 372 c CA 1.345 57.737 56.329 0.105 0.000 1.773 372 c CB -1.315 41.245 42.510 0.084 0.000 1.862 372 c HN 0.819 nan 8.230 nan 0.000 0.530 373 T N -1.462 113.202 114.554 0.183 0.000 3.035 373 T HA -0.148 5.817 4.350 2.692 0.000 0.268 373 T C 1.811 176.743 174.700 0.387 0.000 1.109 373 T CA 0.832 63.099 62.100 0.278 0.000 1.119 373 T CB -0.404 68.670 68.868 0.343 0.000 0.900 373 T HN 0.574 nan 8.240 nan 0.000 0.503 374 R N 0.499 121.159 120.500 0.267 0.000 2.148 374 R HA 0.044 6.000 4.340 2.692 0.000 0.227 374 R C 2.126 178.590 176.300 0.273 0.000 1.103 374 R CA 0.662 56.913 56.100 0.253 0.000 0.983 374 R CB -0.484 29.904 30.300 0.147 0.000 0.874 374 R HN 0.337 nan 8.270 nan 0.000 0.451 375 V N 1.544 121.577 119.914 0.198 0.000 2.287 375 V HA -0.301 5.435 4.120 2.692 0.000 0.248 375 V C 1.770 177.925 176.094 0.102 0.000 1.053 375 V CA 1.966 64.344 62.300 0.131 0.000 1.027 375 V CB -0.540 31.338 31.823 0.091 0.000 0.646 375 V HN 0.429 nan 8.190 nan 0.000 0.447 376 N N -0.948 117.801 118.700 0.082 0.000 2.120 376 N HA -0.192 6.163 4.740 2.692 0.000 0.188 376 N C 1.532 177.001 175.510 -0.069 0.000 1.024 376 N CA 1.661 54.638 53.050 -0.121 0.000 0.852 376 N CB -0.478 37.827 38.487 -0.303 0.000 1.003 376 N HN 0.597 nan 8.380 nan 0.000 0.424 377 W N 2.134 123.457 121.300 0.039 0.000 2.317 377 W HA -0.076 6.199 4.660 2.691 0.000 0.318 377 W C 2.204 178.772 176.519 0.082 0.000 1.227 377 W CA 0.807 58.228 57.345 0.127 0.000 1.269 377 W CB -0.681 28.876 29.460 0.161 0.000 1.155 377 W HN 0.109 nan 8.180 nan 0.000 0.484 378 N N -0.061 118.826 118.700 0.312 0.000 2.166 378 N HA -0.134 6.221 4.740 2.692 0.000 0.186 378 N C 1.676 177.256 175.510 0.118 0.000 1.019 378 N CA 1.366 54.532 53.050 0.195 0.000 0.856 378 N CB -0.602 37.974 38.487 0.149 0.000 0.993 378 N HN 0.259 nan 8.380 nan 0.000 0.426 379 R N 0.307 120.843 120.500 0.060 0.000 2.083 379 R HA -0.045 5.911 4.340 2.692 0.000 0.237 379 R C 2.138 178.440 176.300 0.004 0.000 1.137 379 R CA 1.022 57.119 56.100 -0.005 0.000 0.951 379 R CB -0.327 29.920 30.300 -0.089 0.000 0.851 379 R HN 0.047 nan 8.270 nan 0.000 0.434 380 V N 0.989 120.903 119.914 -0.001 0.000 2.379 380 V HA -0.186 5.549 4.120 2.692 0.000 0.245 380 V C 2.207 178.380 176.094 0.133 0.000 1.044 380 V CA 1.483 63.814 62.300 0.053 0.000 1.036 380 V CB -0.314 31.535 31.823 0.043 0.000 0.664 380 V HN 0.258 nan 8.190 nan 0.000 0.453 381 I N -0.349 120.320 120.570 0.165 0.000 2.163 381 I HA -0.280 5.505 4.170 2.692 0.000 0.243 381 I C 2.177 178.375 176.117 0.135 0.000 1.085 381 I CA 1.866 63.273 61.300 0.179 0.000 1.347 381 I CB -0.193 37.940 38.000 0.221 0.000 1.044 381 I HN 0.244 nan 8.210 nan 0.000 0.408 382 L N -0.374 120.915 121.223 0.110 0.000 2.354 382 L HA -0.005 5.950 4.340 2.692 0.000 0.212 382 L C 0.994 177.912 176.870 0.079 0.000 1.091 382 L CA 0.614 55.499 54.840 0.074 0.000 0.828 382 L CB -0.019 42.071 42.059 0.052 0.000 0.973 382 L HN 0.360 nan 8.230 nan 0.000 0.461 383 E N -1.566 118.691 120.200 0.095 0.000 3.625 383 E HA 0.124 6.090 4.350 2.692 0.000 0.166 383 E C 1.068 177.723 176.600 0.092 0.000 0.978 383 E CA 0.258 56.734 56.400 0.127 0.000 1.429 383 E CB -0.262 29.495 29.700 0.095 0.000 1.100 383 E HN 0.067 nan 8.360 nan 0.000 0.428 384 G N 1.661 110.535 108.800 0.123 0.000 2.432 384 G HA2 -0.255 5.321 3.960 2.692 0.000 0.219 384 G HA3 -0.255 5.321 3.960 2.692 0.000 0.219 384 G C 1.536 176.569 174.900 0.221 0.000 1.135 384 G CA 0.323 45.522 45.100 0.166 0.000 0.767 384 G HN 0.159 nan 8.290 nan 0.000 0.550 385 R N -0.016 120.587 120.500 0.171 0.000 2.334 385 R HA 0.168 6.123 4.340 2.692 0.000 0.220 385 R C 0.675 176.935 176.300 -0.067 0.000 0.917 385 R CA -0.255 55.928 56.100 0.139 0.000 1.073 385 R CB 0.189 30.575 30.300 0.144 0.000 1.056 385 R HN 0.174 nan 8.270 nan 0.000 0.506 386 K N 2.714 122.927 120.400 -0.312 0.000 2.412 386 K HA 0.104 6.039 4.320 2.692 0.000 0.284 386 K C -2.319 174.029 176.600 -0.420 0.000 1.046 386 K CA -1.731 54.042 56.287 -0.857 0.000 0.999 386 K CB 0.583 32.657 32.500 -0.711 0.000 0.941 386 K HN -0.216 nan 8.250 nan 0.000 0.474 387 P HA 0.013 nan 4.420 nan 0.000 0.264 387 P C 0.206 177.413 177.300 -0.155 0.000 1.193 387 P CA 0.656 63.650 63.100 -0.177 0.000 0.763 387 P CB 0.792 32.419 31.700 -0.121 0.000 0.810 388 G N 1.726 110.463 108.800 -0.106 0.000 2.175 388 G HA2 -0.249 5.327 3.960 2.692 0.000 0.244 388 G HA3 -0.249 5.327 3.960 2.692 0.000 0.244 388 G C -0.081 174.760 174.900 -0.098 0.000 0.982 388 G CA -0.277 44.769 45.100 -0.090 0.000 0.641 388 G HN 0.604 nan 8.290 nan 0.000 0.527 389 L N 2.925 124.077 121.223 -0.118 0.000 2.499 389 L HA 0.584 6.539 4.340 2.692 0.000 0.273 389 L C 0.953 177.753 176.870 -0.117 0.000 1.195 389 L CA 1.070 55.837 54.840 -0.122 0.000 0.882 389 L CB 0.506 42.485 42.059 -0.133 0.000 1.133 389 L HN 0.516 nan 8.230 nan 0.000 0.483 390 T N 3.708 118.198 114.554 -0.106 0.000 2.932 390 T HA 0.742 6.708 4.350 2.692 0.000 0.289 390 T C -0.206 174.429 174.700 -0.107 0.000 1.039 390 T CA -0.981 61.065 62.100 -0.090 0.000 1.024 390 T CB 1.356 70.184 68.868 -0.066 0.000 1.090 390 T HN 0.532 nan 8.240 nan 0.000 0.496 391 L N 0.222 121.403 121.223 -0.070 0.000 2.301 391 L HA 0.878 6.834 4.340 2.692 0.000 0.264 391 L C 0.580 177.511 176.870 0.103 0.000 1.016 391 L CA -1.174 53.616 54.840 -0.084 0.000 0.821 391 L CB 2.187 44.099 42.059 -0.245 0.000 1.346 391 L HN 1.000 nan 8.230 nan 0.000 0.429 392 G N -0.037 108.817 108.800 0.089 0.000 2.714 392 G HA2 0.666 6.242 3.960 2.692 0.000 0.292 392 G HA3 0.666 6.242 3.960 2.692 0.000 0.292 392 G C -1.011 173.989 174.900 0.167 0.000 1.308 392 G CA -0.677 44.542 45.100 0.199 0.000 0.964 392 G HN 0.421 nan 8.290 nan 0.000 0.484 393 I N 2.227 122.917 120.570 0.200 0.000 2.256 393 I HA 0.417 6.203 4.170 2.692 0.000 0.294 393 I C 1.214 177.399 176.117 0.114 0.000 1.127 393 I CA 0.732 62.117 61.300 0.143 0.000 1.247 393 I CB -0.037 38.059 38.000 0.161 0.000 1.460 393 I HN 1.022 nan 8.210 nan 0.000 0.511 394 G N 4.461 113.320 108.800 0.097 0.000 2.509 394 G HA2 -0.274 5.302 3.960 2.692 0.000 0.256 394 G HA3 -0.274 5.302 3.960 2.692 0.000 0.256 394 G C 0.581 175.533 174.900 0.087 0.000 1.152 394 G CA 0.039 45.194 45.100 0.091 0.000 0.951 394 G HN 0.487 nan 8.290 nan 0.000 0.559 395 c N 2.539 121.185 118.600 0.076 0.000 2.618 395 c HA 0.337 6.522 4.570 2.692 0.000 0.264 395 c C 1.359 175.485 174.090 0.059 0.000 1.334 395 c CA 0.469 56.837 56.329 0.065 0.000 1.731 395 c CB -1.519 41.025 42.510 0.057 0.000 1.852 395 c HN 0.518 nan 8.230 nan 0.000 0.566 396 E N 1.028 121.269 120.200 0.069 0.000 2.442 396 E HA 0.029 5.995 4.350 2.692 0.000 0.260 396 E C 0.262 176.896 176.600 0.056 0.000 1.148 396 E CA 0.311 56.751 56.400 0.065 0.000 0.976 396 E CB 0.354 30.107 29.700 0.088 0.000 0.967 396 E HN 0.290 nan 8.360 nan 0.000 0.454 397 T N 1.580 116.156 114.554 0.037 0.000 2.866 397 T HA 0.091 6.056 4.350 2.692 0.000 0.293 397 T C 0.085 174.794 174.700 0.016 0.000 1.005 397 T CA -0.182 61.927 62.100 0.015 0.000 1.162 397 T CB 0.364 69.229 68.868 -0.005 0.000 0.968 397 T HN 0.514 nan 8.240 nan 0.000 0.530 398 A N 3.689 126.512 122.820 0.005 0.000 2.545 398 A HA 0.172 6.107 4.320 2.692 0.000 0.253 398 A C 1.001 178.550 177.584 -0.059 0.000 1.074 398 A CA -0.110 51.927 52.037 0.000 0.000 0.760 398 A CB 0.053 19.040 19.000 -0.022 0.000 1.005 398 A HN 0.987 nan 8.150 nan 0.000 0.506 399 Q N 1.488 121.223 119.800 -0.108 0.000 2.215 399 Q HA 0.223 6.178 4.340 2.692 0.000 0.257 399 Q C -0.996 174.784 176.000 -0.367 0.000 0.792 399 Q CA 0.035 55.649 55.803 -0.316 0.000 0.958 399 Q CB 0.607 29.005 28.738 -0.567 0.000 1.158 399 Q HN 0.712 nan 8.270 nan 0.000 0.490 400 F N 3.172 123.094 119.950 -0.046 0.000 2.405 400 F HA 0.390 6.529 4.527 2.688 0.000 0.355 400 F C -2.205 173.543 175.800 -0.087 0.000 1.121 400 F CA -2.847 55.122 58.000 -0.051 0.000 1.112 400 F CB 0.799 39.782 39.000 -0.029 0.000 1.126 400 F HN -0.200 nan 8.300 nan 0.000 0.481 401 P HA 0.004 nan 4.420 nan 0.000 0.268 401 P C 0.968 178.239 177.300 -0.048 0.000 1.204 401 P CA 0.036 63.124 63.100 -0.019 0.000 0.768 401 P CB 0.835 32.519 31.700 -0.027 0.000 0.842 402 L N 6.439 127.591 121.223 -0.118 0.000 2.012 402 L HA -0.117 5.839 4.340 2.692 0.000 0.210 402 L C -0.864 175.883 176.870 -0.205 0.000 1.073 402 L CA 2.345 57.065 54.840 -0.200 0.000 0.748 402 L CB -1.346 40.550 42.059 -0.272 0.000 0.891 402 L HN 0.390 nan 8.230 nan 0.000 0.431 403 P HA -0.232 nan 4.420 nan 0.000 0.215 403 P C 1.291 178.453 177.300 -0.230 0.000 1.157 403 P CA 1.392 64.411 63.100 -0.135 0.000 0.863 403 P CB -0.074 31.615 31.700 -0.019 0.000 0.787 404 Q N -0.109 119.611 119.800 -0.133 0.000 2.135 404 Q HA -0.151 5.805 4.340 2.692 0.000 0.204 404 Q C 1.847 177.756 176.000 -0.152 0.000 0.981 404 Q CA 1.672 57.412 55.803 -0.104 0.000 0.856 404 Q CB -0.528 28.194 28.738 -0.027 0.000 0.902 404 Q HN 0.011 nan 8.270 nan 0.000 0.425 405 V N 0.176 119.995 119.914 -0.159 0.000 2.358 405 V HA -0.163 5.572 4.120 2.692 0.000 0.246 405 V C 2.251 178.164 176.094 -0.302 0.000 1.047 405 V CA 1.839 64.047 62.300 -0.152 0.000 1.035 405 V CB -0.878 30.923 31.823 -0.038 0.000 0.658 405 V HN 0.637 nan 8.190 nan 0.000 0.452 406 G N -0.540 107.886 108.800 -0.625 0.000 2.422 406 G HA2 -0.202 5.373 3.960 2.692 0.000 0.218 406 G HA3 -0.202 5.373 3.960 2.692 0.000 0.218 406 G C 1.657 176.066 174.900 -0.819 0.000 1.140 406 G CA 0.569 44.940 45.100 -1.216 0.000 0.775 406 G HN 0.458 nan 8.290 nan 0.000 0.545 407 K N 0.083 120.129 120.400 -0.591 0.000 2.097 407 K HA -0.059 5.877 4.320 2.692 0.000 0.205 407 K C 2.106 178.647 176.600 -0.098 0.000 1.050 407 K CA 1.086 57.236 56.287 -0.228 0.000 0.938 407 K CB -0.065 32.347 32.500 -0.146 0.000 0.718 407 K HN 0.173 nan 8.250 nan 0.000 0.442 408 D N 1.126 121.438 120.400 -0.145 0.000 2.097 408 D HA -0.163 6.093 4.640 2.692 0.000 0.197 408 D C 1.833 178.062 176.300 -0.119 0.000 0.984 408 D CA 0.791 54.731 54.000 -0.099 0.000 0.826 408 D CB -0.057 40.678 40.800 -0.109 0.000 0.973 408 D HN 0.002 nan 8.370 nan 0.000 0.460 409 L N -0.310 120.784 121.223 -0.216 0.000 2.043 409 L HA -0.124 5.832 4.340 2.692 0.000 0.212 409 L C 2.158 178.868 176.870 -0.266 0.000 1.075 409 L CA 1.643 56.258 54.840 -0.374 0.000 0.752 409 L CB -0.955 40.811 42.059 -0.488 0.000 0.891 409 L HN -0.021 nan 8.230 nan 0.000 0.432 410 F N -0.243 119.580 119.950 -0.213 0.000 2.407 410 F HA -0.028 6.115 4.527 2.694 0.000 0.299 410 F C 2.481 178.258 175.800 -0.039 0.000 1.097 410 F CA 0.871 58.824 58.000 -0.078 0.000 1.422 410 F CB -0.250 38.759 39.000 0.016 0.000 1.067 410 F HN 0.037 nan 8.300 nan 0.000 0.539 411 R N 0.090 120.646 120.500 0.093 0.000 2.096 411 R HA -0.161 5.795 4.340 2.692 0.000 0.235 411 R C 1.644 177.967 176.300 0.039 0.000 1.127 411 R CA 1.656 57.793 56.100 0.062 0.000 0.968 411 R CB -0.510 29.815 30.300 0.042 0.000 0.861 411 R HN 0.238 nan 8.270 nan 0.000 0.440 412 D N 0.733 121.140 120.400 0.013 0.000 2.117 412 D HA -0.100 6.155 4.640 2.692 0.000 0.198 412 D C 2.042 178.361 176.300 0.031 0.000 0.982 412 D CA 0.924 54.966 54.000 0.071 0.000 0.828 412 D CB -0.217 40.704 40.800 0.201 0.000 0.967 412 D HN 0.153 nan 8.370 nan 0.000 0.464 413 L N 0.451 121.599 121.223 -0.124 0.000 2.079 413 L HA -0.177 5.779 4.340 2.692 0.000 0.210 413 L C 2.390 179.218 176.870 -0.070 0.000 1.081 413 L CA 1.083 55.813 54.840 -0.184 0.000 0.752 413 L CB -0.376 41.377 42.059 -0.511 0.000 0.896 413 L HN 0.018 nan 8.230 nan 0.000 0.433 414 K N 0.354 120.749 120.400 -0.008 0.000 2.211 414 K HA -0.139 5.797 4.320 2.692 0.000 0.203 414 K C 2.216 178.840 176.600 0.040 0.000 1.050 414 K CA 1.000 57.319 56.287 0.053 0.000 0.945 414 K CB 0.089 32.645 32.500 0.093 0.000 0.732 414 K HN 0.183 nan 8.250 nan 0.000 0.451 415 R N -0.295 120.226 120.500 0.035 0.000 2.073 415 R HA -0.035 5.920 4.340 2.692 0.000 0.229 415 R C 2.181 178.492 176.300 0.018 0.000 1.120 415 R CA 1.262 57.382 56.100 0.034 0.000 0.967 415 R CB -0.268 30.060 30.300 0.048 0.000 0.862 415 R HN 0.033 nan 8.270 nan 0.000 0.436 416 V N 1.284 121.208 119.914 0.016 0.000 2.343 416 V HA -0.242 5.493 4.120 2.692 0.000 0.247 416 V C 2.470 178.516 176.094 -0.080 0.000 1.051 416 V CA 1.995 64.285 62.300 -0.016 0.000 1.036 416 V CB -0.688 31.130 31.823 -0.009 0.000 0.654 416 V HN 0.387 nan 8.190 nan 0.000 0.451 417 A N -0.938 121.849 122.820 -0.054 0.000 1.902 417 A HA -0.273 5.662 4.320 2.692 0.000 0.217 417 A C 2.187 179.769 177.584 -0.005 0.000 1.181 417 A CA 1.806 53.821 52.037 -0.038 0.000 0.623 417 A CB -0.465 18.587 19.000 0.086 0.000 0.818 417 A HN 0.610 nan 8.150 nan 0.000 0.443 418 Q N -1.037 118.771 119.800 0.013 0.000 2.124 418 Q HA -0.135 5.821 4.340 2.692 0.000 0.202 418 Q C 2.140 178.136 176.000 -0.006 0.000 0.977 418 Q CA 1.879 57.694 55.803 0.019 0.000 0.850 418 Q CB -0.337 28.413 28.738 0.020 0.000 0.901 418 Q HN 0.667 nan 8.270 nan 0.000 0.429 419 T N 1.158 115.691 114.554 -0.035 0.000 2.737 419 T HA -0.075 5.891 4.350 2.692 0.000 0.265 419 T C 1.837 176.495 174.700 -0.070 0.000 1.038 419 T CA 0.741 62.810 62.100 -0.051 0.000 1.144 419 T CB -0.133 68.700 68.868 -0.057 0.000 0.866 419 T HN 0.167 nan 8.240 nan 0.000 0.434 420 L N 0.756 121.894 121.223 -0.141 0.000 2.083 420 L HA -0.111 5.845 4.340 2.692 0.000 0.209 420 L C 2.393 179.251 176.870 -0.020 0.000 1.083 420 L CA 1.118 55.829 54.840 -0.215 0.000 0.752 420 L CB -0.374 41.259 42.059 -0.711 0.000 0.899 420 L HN 0.179 nan 8.230 nan 0.000 0.433 421 D N -0.893 119.541 120.400 0.056 0.000 2.123 421 D HA -0.138 6.117 4.640 2.692 0.000 0.200 421 D C 2.370 178.713 176.300 0.072 0.000 0.976 421 D CA 1.578 55.662 54.000 0.139 0.000 0.831 421 D CB -0.059 40.823 40.800 0.137 0.000 0.974 421 D HN 0.290 nan 8.370 nan 0.000 0.469 422 S N 0.042 115.762 115.700 0.033 0.000 2.442 422 S HA -0.094 5.991 4.470 2.692 0.000 0.236 422 S C 2.109 176.715 174.600 0.010 0.000 1.007 422 S CA 0.487 58.696 58.200 0.015 0.000 0.965 422 S CB -0.434 62.764 63.200 -0.003 0.000 0.773 422 S HN 0.223 nan 8.310 nan 0.000 0.504 423 I N 2.249 122.824 120.570 0.010 0.000 2.206 423 I HA -0.077 5.709 4.170 2.692 0.000 0.239 423 I C 2.263 178.400 176.117 0.033 0.000 1.078 423 I CA 1.391 62.698 61.300 0.011 0.000 1.367 423 I CB -0.495 37.506 38.000 0.002 0.000 1.078 423 I HN 0.341 nan 8.210 nan 0.000 0.413 424 N N 0.395 119.134 118.700 0.064 0.000 2.494 424 N HA 0.113 6.468 4.740 2.692 0.000 0.182 424 N C 0.646 176.194 175.510 0.063 0.000 1.076 424 N CA 0.451 53.548 53.050 0.079 0.000 0.908 424 N CB 0.152 38.721 38.487 0.137 0.000 0.967 424 N HN 0.447 nan 8.380 nan 0.000 0.449 425 G N 0.010 108.845 108.800 0.058 0.000 2.758 425 G HA2 0.206 5.782 3.960 2.692 0.000 0.686 425 G HA3 0.206 5.782 3.960 2.692 0.000 0.686 425 G C 0.166 175.101 174.900 0.059 0.000 1.389 425 G CA -0.622 44.506 45.100 0.047 0.000 0.845 425 G HN 0.672 nan 8.290 nan 0.000 0.572 426 G N -0.390 108.438 108.800 0.047 0.000 2.681 426 G HA2 0.156 5.731 3.960 2.692 0.000 0.220 426 G HA3 0.156 5.731 3.960 2.692 0.000 0.220 426 G C 0.213 175.151 174.900 0.064 0.000 1.353 426 G CA 0.890 46.018 45.100 0.048 0.000 0.872 426 G HN 1.649 nan 8.290 nan 0.000 0.557 427 E N -0.348 119.889 120.200 0.061 0.000 2.789 427 E HA 0.415 6.380 4.350 2.692 0.000 0.217 427 E C 2.035 178.681 176.600 0.077 0.000 0.970 427 E CA 0.502 56.947 56.400 0.074 0.000 1.201 427 E CB 0.630 30.363 29.700 0.054 0.000 1.069 427 E HN 0.840 nan 8.360 nan 0.000 0.499 428 A N 0.506 123.353 122.820 0.046 0.000 1.892 428 A HA -0.236 5.699 4.320 2.692 0.000 0.218 428 A C 1.644 179.215 177.584 -0.022 0.000 1.188 428 A CA 1.469 53.490 52.037 -0.025 0.000 0.631 428 A CB -0.629 18.296 19.000 -0.125 0.000 0.822 428 A HN 0.280 nan 8.150 nan 0.000 0.447 429 Y N -0.234 120.102 120.300 0.059 0.000 2.145 429 Y HA -0.215 5.950 4.550 2.692 0.000 0.286 429 Y C 2.801 178.746 175.900 0.076 0.000 1.145 429 Y CA 1.953 60.093 58.100 0.067 0.000 1.148 429 Y CB -0.504 37.988 38.460 0.054 0.000 0.981 429 Y HN 0.413 nan 8.280 nan 0.000 0.507 430 Q N 0.026 119.961 119.800 0.225 0.000 2.124 430 Q HA -0.223 5.732 4.340 2.692 0.000 0.202 430 Q C 2.273 178.355 176.000 0.137 0.000 0.977 430 Q CA 1.606 57.504 55.803 0.159 0.000 0.850 430 Q CB -0.150 28.659 28.738 0.117 0.000 0.901 430 Q HN 0.406 nan 8.270 nan 0.000 0.429 431 K N 0.466 120.932 120.400 0.109 0.000 2.097 431 K HA -0.120 5.816 4.320 2.692 0.000 0.205 431 K C 1.890 178.550 176.600 0.100 0.000 1.050 431 K CA 1.017 57.354 56.287 0.083 0.000 0.938 431 K CB 0.058 32.589 32.500 0.052 0.000 0.718 431 K HN 0.030 nan 8.250 nan 0.000 0.442 432 V N 1.142 121.128 119.914 0.120 0.000 2.407 432 V HA -0.301 5.435 4.120 2.692 0.000 0.248 432 V C 2.472 178.710 176.094 0.240 0.000 1.055 432 V CA 1.687 64.080 62.300 0.156 0.000 1.049 432 V CB -0.383 31.538 31.823 0.164 0.000 0.662 432 V HN 0.535 nan 8.190 nan 0.000 0.455 433 C N -0.071 119.397 119.300 0.280 0.000 2.429 433 C HA -0.145 5.930 4.460 2.692 0.000 0.277 433 C C 2.478 177.654 174.990 0.309 0.000 1.262 433 C CA 0.798 60.068 59.018 0.421 0.000 1.733 433 C CB -1.049 26.889 27.740 0.330 0.000 2.010 433 C HN 0.600 nan 8.230 nan 0.000 0.483 434 D N 0.662 121.169 120.400 0.178 0.000 2.117 434 D HA -0.108 6.147 4.640 2.692 0.000 0.197 434 D C 2.085 178.408 176.300 0.038 0.000 0.987 434 D CA 1.202 55.258 54.000 0.094 0.000 0.829 434 D CB -0.473 40.371 40.800 0.072 0.000 0.961 434 D HN 0.615 nan 8.370 nan 0.000 0.460 435 E N 0.123 120.350 120.200 0.045 0.000 2.047 435 E HA -0.076 5.889 4.350 2.692 0.000 0.191 435 E C 2.322 178.879 176.600 -0.072 0.000 0.987 435 E CA 0.541 56.940 56.400 -0.002 0.000 0.799 435 E CB -0.046 29.667 29.700 0.022 0.000 0.752 435 E HN 0.236 nan 8.360 nan 0.000 0.449 436 L N 0.377 121.563 121.223 -0.062 0.000 2.179 436 L HA -0.073 5.883 4.340 2.692 0.000 0.208 436 L C 2.492 179.038 176.870 -0.540 0.000 1.096 436 L CA 0.207 54.897 54.840 -0.250 0.000 0.779 436 L CB -0.158 41.845 42.059 -0.093 0.000 0.922 436 L HN 0.071 nan 8.230 nan 0.000 0.443 437 V N 0.286 119.898 119.914 -0.505 0.000 2.626 437 V HA -0.222 5.514 4.120 2.692 0.000 0.252 437 V C 2.562 178.486 176.094 -0.282 0.000 1.067 437 V CA 1.656 63.597 62.300 -0.599 0.000 1.081 437 V CB -0.084 31.533 31.823 -0.344 0.000 0.686 437 V HN 0.432 nan 8.190 nan 0.000 0.468 438 A N -1.461 121.227 122.820 -0.220 0.000 2.125 438 A HA -0.231 5.705 4.320 2.692 0.000 0.219 438 A C 2.176 179.649 177.584 -0.186 0.000 1.156 438 A CA 1.808 53.759 52.037 -0.142 0.000 0.671 438 A CB -1.106 17.830 19.000 -0.107 0.000 0.794 438 A HN 0.673 nan 8.150 nan 0.000 0.459 439 C N -1.646 117.438 119.300 -0.361 0.000 2.456 439 C HA 0.029 6.105 4.460 2.692 0.000 0.279 439 C C 2.128 176.966 174.990 -0.253 0.000 1.427 439 C CA 0.307 59.093 59.018 -0.387 0.000 1.778 439 C CB -1.808 25.577 27.740 -0.591 0.000 1.842 439 C HN 0.649 nan 8.230 nan 0.000 0.531 440 F N 1.113 121.033 119.950 -0.051 0.000 2.187 440 F HA -0.022 6.116 4.527 2.685 0.000 0.295 440 F C 2.183 177.968 175.800 -0.024 0.000 1.091 440 F CA 1.356 59.335 58.000 -0.034 0.000 1.308 440 F CB -0.575 38.322 39.000 -0.172 0.000 1.030 440 F HN 0.179 nan 8.300 nan 0.000 0.487 441 D N -0.874 119.595 120.400 0.115 0.000 2.277 441 D HA -0.065 6.191 4.640 2.692 0.000 0.208 441 D C 0.444 176.760 176.300 0.026 0.000 0.962 441 D CA 0.849 54.881 54.000 0.052 0.000 0.865 441 D CB -0.189 40.625 40.800 0.024 0.000 0.939 441 D HN 0.078 nan 8.370 nan 0.000 0.510 442 N N 0.206 118.907 118.700 0.000 0.000 2.804 442 N HA 0.140 6.496 4.740 2.692 0.000 0.251 442 N C -2.245 173.232 175.510 -0.056 0.000 1.250 442 N CA -1.823 51.212 53.050 -0.026 0.000 0.820 442 N CB 1.508 39.968 38.487 -0.046 0.000 1.156 442 N HN -0.233 nan 8.380 nan 0.000 0.512 443 P HA -0.017 nan 4.420 nan 0.000 0.225 443 P C 0.386 177.620 177.300 -0.110 0.000 1.148 443 P CA 0.835 63.884 63.100 -0.085 0.000 0.779 443 P CB 0.480 32.184 31.700 0.006 0.000 0.780 444 D N -0.820 119.544 120.400 -0.059 0.000 2.350 444 D HA -0.046 6.209 4.640 2.692 0.000 0.216 444 D C 1.657 177.912 176.300 -0.075 0.000 0.968 444 D CA 0.714 54.683 54.000 -0.050 0.000 0.894 444 D CB -0.402 40.381 40.800 -0.030 0.000 0.909 444 D HN 0.255 nan 8.370 nan 0.000 0.520 445 L N 0.310 121.468 121.223 -0.108 0.000 2.558 445 L HA 0.054 6.009 4.340 2.692 0.000 0.225 445 L C 1.273 178.074 176.870 -0.116 0.000 1.128 445 L CA 0.134 54.905 54.840 -0.114 0.000 0.868 445 L CB -0.356 41.624 42.059 -0.132 0.000 1.006 445 L HN 0.004 nan 8.230 nan 0.000 0.454 446 T N -3.680 110.771 114.554 -0.172 0.000 2.766 446 T HA 0.065 6.030 4.350 2.692 0.000 0.295 446 T C 1.040 175.812 174.700 0.121 0.000 1.024 446 T CA -0.421 61.563 62.100 -0.193 0.000 1.018 446 T CB 0.677 69.281 68.868 -0.440 0.000 1.002 446 T HN -0.126 nan 8.240 nan 0.000 0.532 447 F N 1.011 120.939 119.950 -0.037 0.000 2.234 447 F HA -0.006 6.133 4.527 2.686 0.000 0.299 447 F C 3.006 178.898 175.800 0.154 0.000 1.087 447 F CA 1.039 59.148 58.000 0.182 0.000 1.340 447 F CB -1.314 37.834 39.000 0.247 0.000 1.031 447 F HN 0.780 nan 8.300 nan 0.000 0.500 448 S N -0.286 115.546 115.700 0.219 0.000 2.414 448 S HA 0.034 6.119 4.470 2.692 0.000 0.227 448 S C 2.216 176.864 174.600 0.080 0.000 1.022 448 S CA 0.617 58.893 58.200 0.126 0.000 0.958 448 S CB -0.720 62.517 63.200 0.062 0.000 0.797 448 S HN 0.179 nan 8.310 nan 0.000 0.493 449 A N 2.390 125.238 122.820 0.047 0.000 1.897 449 A HA 0.102 6.038 4.320 2.692 0.000 0.215 449 A C 2.385 179.991 177.584 0.037 0.000 1.181 449 A CA 0.939 52.989 52.037 0.021 0.000 0.620 449 A CB -0.507 18.487 19.000 -0.010 0.000 0.821 449 A HN 0.508 nan 8.150 nan 0.000 0.443 450 R N -1.166 119.382 120.500 0.079 0.000 2.081 450 R HA -0.079 5.876 4.340 2.692 0.000 0.235 450 R C 1.943 178.375 176.300 0.219 0.000 1.131 450 R CA 1.578 57.725 56.100 0.078 0.000 0.960 450 R CB -0.408 29.837 30.300 -0.091 0.000 0.856 450 R HN 0.514 nan 8.270 nan 0.000 0.436 451 I N 0.483 121.236 120.570 0.306 0.000 2.500 451 I HA -0.138 5.648 4.170 2.692 0.000 0.252 451 I C 1.858 177.973 176.117 -0.002 0.000 1.142 451 I CA 0.681 62.075 61.300 0.158 0.000 1.451 451 I CB -0.053 37.950 38.000 0.006 0.000 1.093 451 I HN 0.050 nan 8.210 nan 0.000 0.430 452 L N 0.787 122.000 121.223 -0.016 0.000 2.042 452 L HA -0.205 5.751 4.340 2.692 0.000 0.210 452 L C 2.624 179.405 176.870 -0.148 0.000 1.076 452 L CA 2.018 56.787 54.840 -0.118 0.000 0.749 452 L CB -0.860 41.125 42.059 -0.123 0.000 0.893 452 L HN 0.244 nan 8.230 nan 0.000 0.432 453 R N -0.488 119.966 120.500 -0.076 0.000 2.080 453 R HA -0.192 5.764 4.340 2.692 0.000 0.236 453 R C 2.578 178.843 176.300 -0.058 0.000 1.137 453 R CA 2.073 58.133 56.100 -0.067 0.000 0.943 453 R CB -1.069 29.215 30.300 -0.027 0.000 0.846 453 R HN 0.554 nan 8.270 nan 0.000 0.431 454 S N -0.712 114.978 115.700 -0.016 0.000 2.419 454 S HA -0.127 5.958 4.470 2.692 0.000 0.233 454 S C 1.968 176.516 174.600 -0.087 0.000 1.016 454 S CA 1.449 59.645 58.200 -0.007 0.000 0.974 454 S CB -0.163 63.092 63.200 0.092 0.000 0.786 454 S HN 0.475 nan 8.310 nan 0.000 0.492 455 M N 0.137 119.659 119.600 -0.131 0.000 2.319 455 M HA 0.131 6.227 4.480 2.692 0.000 0.265 455 M C 1.844 178.062 176.300 -0.136 0.000 1.068 455 M CA 1.107 56.314 55.300 -0.154 0.000 1.118 455 M CB -0.251 32.248 32.600 -0.169 0.000 1.395 455 M HN 0.377 nan 8.290 nan 0.000 0.435 456 I N -0.291 120.188 120.570 -0.152 0.000 2.406 456 I HA -0.210 5.576 4.170 2.692 0.000 0.249 456 I C 1.408 177.479 176.117 -0.076 0.000 1.122 456 I CA 0.845 62.065 61.300 -0.133 0.000 1.431 456 I CB -0.304 37.593 38.000 -0.171 0.000 1.087 456 I HN 0.153 nan 8.210 nan 0.000 0.424 457 D N 0.489 120.851 120.400 -0.062 0.000 2.312 457 D HA -0.043 6.212 4.640 2.692 0.000 0.211 457 D C 1.137 177.421 176.300 -0.027 0.000 0.964 457 D CA 0.840 54.819 54.000 -0.035 0.000 0.877 457 D CB -0.010 40.777 40.800 -0.022 0.000 0.924 457 D HN 0.389 nan 8.370 nan 0.000 0.515 464 G N 2.071 110.593 108.800 -0.464 0.000 2.513 464 G HA2 -0.281 5.294 3.960 2.692 0.000 0.219 464 G HA3 -0.281 5.294 3.960 2.692 0.000 0.219 464 G C 1.374 176.057 174.900 -0.362 0.000 1.160 464 G CA 1.642 46.298 45.100 -0.741 0.000 0.767 464 G HN 0.507 nan 8.290 nan 0.000 0.571 465 K N 0.516 120.966 120.400 0.083 0.000 2.057 465 K HA 0.110 6.045 4.320 2.692 0.000 0.206 465 K C 2.994 179.637 176.600 0.072 0.000 1.050 465 K CA 0.921 57.326 56.287 0.196 0.000 0.935 465 K CB -0.236 32.409 32.500 0.241 0.000 0.715 465 K HN 0.275 nan 8.250 nan 0.000 0.439 466 A N 1.087 123.926 122.820 0.032 0.000 1.902 466 A HA -0.148 5.788 4.320 2.692 0.000 0.217 466 A C 1.901 179.526 177.584 0.068 0.000 1.181 466 A CA 1.306 53.376 52.037 0.054 0.000 0.623 466 A CB -0.559 18.486 19.000 0.074 0.000 0.818 466 A HN 0.134 nan 8.150 nan 0.000 0.443 467 F N 0.071 119.833 119.950 -0.313 0.000 2.128 467 F HA 0.004 6.147 4.527 2.693 0.000 0.295 467 F C 2.874 178.314 175.800 -0.601 0.000 1.100 467 F CA 0.225 57.864 58.000 -0.601 0.000 1.260 467 F CB -1.240 37.389 39.000 -0.619 0.000 1.009 467 F HN 0.269 nan 8.300 nan 0.000 0.476 468 A N -0.058 122.707 122.820 -0.092 0.000 1.917 468 A HA -0.301 5.634 4.320 2.692 0.000 0.219 468 A C 2.144 179.759 177.584 0.051 0.000 1.182 468 A CA 2.260 54.322 52.037 0.040 0.000 0.633 468 A CB -0.897 18.181 19.000 0.130 0.000 0.819 468 A HN 0.389 nan 8.150 nan 0.000 0.448 469 E N 0.060 120.270 120.200 0.018 0.000 2.028 469 E HA 0.014 5.980 4.350 2.692 0.000 0.190 469 E C 2.023 178.618 176.600 -0.008 0.000 0.984 469 E CA 1.703 58.116 56.400 0.022 0.000 0.800 469 E CB -0.605 29.108 29.700 0.022 0.000 0.758 469 E HN 0.427 nan 8.360 nan 0.000 0.448 470 A N -0.234 122.534 122.820 -0.087 0.000 1.948 470 A HA -0.192 5.744 4.320 2.692 0.000 0.220 470 A C 2.050 179.643 177.584 0.016 0.000 1.177 470 A CA 1.742 53.717 52.037 -0.102 0.000 0.636 470 A CB -1.002 17.852 19.000 -0.243 0.000 0.815 470 A HN 0.469 nan 8.150 nan 0.000 0.449 471 Y N -0.328 119.955 120.300 -0.029 0.000 2.337 471 Y HA -0.060 6.105 4.550 2.691 0.000 0.293 471 Y C 2.446 178.341 175.900 -0.008 0.000 1.123 471 Y CA 0.727 58.806 58.100 -0.034 0.000 1.201 471 Y CB -0.750 37.694 38.460 -0.026 0.000 1.011 471 Y HN 0.498 nan 8.280 nan 0.000 0.545 472 R N 0.678 121.278 120.500 0.167 0.000 2.080 472 R HA -0.174 5.782 4.340 2.692 0.000 0.236 472 R C 1.619 177.954 176.300 0.059 0.000 1.137 472 R CA 1.981 58.141 56.100 0.100 0.000 0.943 472 R CB -0.250 30.099 30.300 0.081 0.000 0.846 472 R HN 0.193 nan 8.270 nan 0.000 0.431 473 N N 0.814 119.542 118.700 0.047 0.000 2.188 473 N HA -0.147 6.208 4.740 2.692 0.000 0.184 473 N C 1.738 177.259 175.510 0.019 0.000 1.018 473 N CA 0.928 53.992 53.050 0.023 0.000 0.858 473 N CB -0.331 38.163 38.487 0.012 0.000 0.989 473 N HN 0.192 nan 8.380 nan 0.000 0.426 474 L N 1.109 122.354 121.223 0.036 0.000 2.017 474 L HA -0.012 5.943 4.340 2.692 0.000 0.208 474 L C 2.079 178.949 176.870 -0.000 0.000 1.073 474 L CA 1.208 56.061 54.840 0.021 0.000 0.745 474 L CB -0.475 41.611 42.059 0.046 0.000 0.894 474 L HN 0.093 nan 8.230 nan 0.000 0.432 475 L N -0.875 120.352 121.223 0.007 0.000 2.046 475 L HA -0.190 5.766 4.340 2.692 0.000 0.208 475 L C 2.772 179.630 176.870 -0.020 0.000 1.077 475 L CA 1.168 55.998 54.840 -0.017 0.000 0.747 475 L CB -0.531 41.527 42.059 -0.002 0.000 0.896 475 L HN 0.280 nan 8.230 nan 0.000 0.432 476 R N -0.356 120.136 120.500 -0.013 0.000 2.115 476 R HA -0.126 5.830 4.340 2.692 0.000 0.230 476 R C 1.836 178.121 176.300 -0.025 0.000 1.111 476 R CA 0.794 56.879 56.100 -0.026 0.000 0.976 476 R CB -0.354 29.933 30.300 -0.022 0.000 0.870 476 R HN 0.289 nan 8.270 nan 0.000 0.445 477 E N 1.290 121.479 120.200 -0.018 0.000 2.418 477 E HA -0.022 5.944 4.350 2.692 0.000 0.197 477 E C -0.145 176.442 176.600 -0.021 0.000 1.026 477 E CA 0.570 56.959 56.400 -0.018 0.000 0.862 477 E CB 0.005 29.697 29.700 -0.014 0.000 0.799 477 E HN 0.396 nan 8.360 nan 0.000 0.518 478 E N 1.475 121.660 120.200 -0.026 0.000 2.167 478 E HA 0.192 6.158 4.350 2.692 0.000 0.284 478 E C -2.356 174.229 176.600 -0.026 0.000 1.016 478 E CA -2.147 54.235 56.400 -0.030 0.000 0.817 478 E CB 1.078 30.753 29.700 -0.042 0.000 1.080 478 E HN -0.060 nan 8.360 nan 0.000 0.397 479 P HA -0.002 nan 4.420 nan 0.000 0.269 479 P C -0.458 176.830 177.300 -0.020 0.000 1.209 479 P CA -0.049 63.043 63.100 -0.014 0.000 0.776 479 P CB 0.503 32.196 31.700 -0.012 0.000 0.876 480 L N 2.229 123.448 121.223 -0.007 0.000 2.483 480 L HA 0.011 5.967 4.340 2.692 0.000 0.276 480 L C 1.563 178.409 176.870 -0.040 0.000 1.213 480 L CA 0.668 55.498 54.840 -0.016 0.000 0.843 480 L CB -0.047 42.028 42.059 0.026 0.000 1.107 480 L HN 0.518 nan 8.230 nan 0.000 0.487 481 E N 1.611 121.767 120.200 -0.074 0.000 2.332 481 E HA 0.103 6.069 4.350 2.692 0.000 0.202 481 E C 1.558 178.103 176.600 -0.091 0.000 0.877 481 E CA 0.348 56.703 56.400 -0.074 0.000 0.979 481 E CB 0.551 30.203 29.700 -0.080 0.000 0.969 481 E HN 0.613 nan 8.360 nan 0.000 0.495 482 I N 0.663 121.140 120.570 -0.154 0.000 2.900 482 I HA 0.053 5.838 4.170 2.692 0.000 0.251 482 I C 0.783 176.791 176.117 -0.181 0.000 1.102 482 I CA 0.129 61.326 61.300 -0.171 0.000 1.457 482 I CB 0.402 38.234 38.000 -0.280 0.000 1.285 482 I HN -0.086 nan 8.210 nan 0.000 0.459 483 L N 1.131 122.177 121.223 -0.295 0.000 2.456 483 L HA 0.343 6.299 4.340 2.692 0.000 0.257 483 L C -0.133 176.670 176.870 -0.112 0.000 1.162 483 L CA -0.322 54.337 54.840 -0.303 0.000 0.808 483 L CB 0.607 42.295 42.059 -0.619 0.000 1.136 483 L HN 0.147 nan 8.230 nan 0.000 0.466 484 R N 0.129 120.587 120.500 -0.071 0.000 2.923 484 R HA 0.310 6.266 4.340 2.692 0.000 0.252 484 R C 0.554 176.924 176.300 0.117 0.000 1.130 484 R CA -0.912 55.206 56.100 0.031 0.000 1.043 484 R CB 0.829 31.142 30.300 0.021 0.000 1.205 484 R HN 0.457 nan 8.270 nan 0.000 0.495 485 E N 1.299 121.588 120.200 0.148 0.000 2.153 485 E HA -0.213 5.753 4.350 2.692 0.000 0.194 485 E C 0.986 177.673 176.600 0.145 0.000 0.988 485 E CA 1.460 57.973 56.400 0.188 0.000 0.811 485 E CB -0.014 29.807 29.700 0.202 0.000 0.746 485 E HN 0.557 nan 8.360 nan 0.000 0.466 486 E N 1.205 121.462 120.200 0.096 0.000 2.150 486 E HA -0.135 5.831 4.350 2.692 0.000 0.193 486 E C 1.685 178.322 176.600 0.062 0.000 0.985 486 E CA 1.069 57.515 56.400 0.076 0.000 0.814 486 E CB -0.060 29.672 29.700 0.053 0.000 0.752 486 E HN 0.236 nan 8.360 nan 0.000 0.466 487 D N -0.196 120.221 120.400 0.028 0.000 2.097 487 D HA -0.141 6.115 4.640 2.692 0.000 0.195 487 D C 1.629 177.942 176.300 0.022 0.000 0.989 487 D CA 0.899 54.901 54.000 0.004 0.000 0.827 487 D CB -0.303 40.431 40.800 -0.111 0.000 0.966 487 D HN 0.175 nan 8.370 nan 0.000 0.456 488 F N 0.880 120.822 119.950 -0.012 0.000 2.134 488 F HA -0.146 5.996 4.527 2.692 0.000 0.299 488 F C 2.536 178.344 175.800 0.013 0.000 1.097 488 F CA 0.537 58.487 58.000 -0.083 0.000 1.264 488 F CB -0.619 37.870 39.000 -0.853 0.000 1.001 488 F HN -0.176 nan 8.300 nan 0.000 0.479 489 V N -0.278 119.752 119.914 0.193 0.000 2.358 489 V HA -0.295 5.440 4.120 2.692 0.000 0.246 489 V C 2.544 178.699 176.094 0.100 0.000 1.047 489 V CA 1.781 64.178 62.300 0.162 0.000 1.035 489 V CB -1.278 30.628 31.823 0.138 0.000 0.658 489 V HN 0.351 nan 8.190 nan 0.000 0.452 490 A N -0.122 122.737 122.820 0.064 0.000 1.933 490 A HA -0.236 5.700 4.320 2.692 0.000 0.218 490 A C 2.183 179.743 177.584 -0.040 0.000 1.175 490 A CA 1.988 54.036 52.037 0.017 0.000 0.628 490 A CB -0.460 18.549 19.000 0.014 0.000 0.814 490 A HN 0.549 nan 8.150 nan 0.000 0.444 491 E N 0.337 120.490 120.200 -0.079 0.000 2.106 491 E HA -0.176 5.789 4.350 2.692 0.000 0.192 491 E C 2.148 178.630 176.600 -0.197 0.000 0.984 491 E CA 1.438 57.658 56.400 -0.300 0.000 0.806 491 E CB -0.318 29.003 29.700 -0.631 0.000 0.750 491 E HN 0.572 nan 8.360 nan 0.000 0.458 492 R N 0.568 121.099 120.500 0.052 0.000 2.070 492 R HA -0.160 5.796 4.340 2.692 0.000 0.233 492 R C 2.113 178.451 176.300 0.064 0.000 1.137 492 R CA 1.851 58.042 56.100 0.152 0.000 0.945 492 R CB -0.361 30.071 30.300 0.220 0.000 0.845 492 R HN 0.202 nan 8.270 nan 0.000 0.430 493 E N -0.009 120.216 120.200 0.043 0.000 2.070 493 E HA -0.208 5.757 4.350 2.692 0.000 0.197 493 E C 1.932 178.526 176.600 -0.010 0.000 1.004 493 E CA 1.778 58.191 56.400 0.022 0.000 0.805 493 E CB -0.144 29.569 29.700 0.023 0.000 0.744 493 E HN 0.541 nan 8.360 nan 0.000 0.451 494 A N 0.699 123.489 122.820 -0.050 0.000 1.898 494 A HA -0.180 5.755 4.320 2.692 0.000 0.216 494 A C 2.281 179.814 177.584 -0.084 0.000 1.181 494 A CA 1.760 53.752 52.037 -0.076 0.000 0.620 494 A CB -0.608 18.323 19.000 -0.116 0.000 0.819 494 A HN 0.352 nan 8.150 nan 0.000 0.442 495 S N 0.215 115.849 115.700 -0.110 0.000 2.356 495 S HA -0.234 5.852 4.470 2.692 0.000 0.223 495 S C 1.700 176.299 174.600 -0.002 0.000 1.032 495 S CA 1.489 59.647 58.200 -0.070 0.000 1.005 495 S CB -0.597 62.583 63.200 -0.033 0.000 0.867 495 S HN 0.657 nan 8.310 nan 0.000 0.449 496 E N 1.261 121.473 120.200 0.021 0.000 2.085 496 E HA -0.127 5.839 4.350 2.692 0.000 0.194 496 E C 2.528 179.134 176.600 0.010 0.000 0.994 496 E CA 1.121 57.540 56.400 0.030 0.000 0.801 496 E CB -0.133 29.590 29.700 0.038 0.000 0.743 496 E HN 0.519 nan 8.360 nan 0.000 0.453 497 R N 0.340 120.839 120.500 -0.003 0.000 2.073 497 R HA -0.093 5.863 4.340 2.692 0.000 0.234 497 R C 2.411 178.703 176.300 -0.014 0.000 1.134 497 R CA 1.153 57.248 56.100 -0.009 0.000 0.952 497 R CB -0.261 30.030 30.300 -0.016 0.000 0.850 497 R HN 0.113 nan 8.270 nan 0.000 0.433 498 R N 0.586 121.073 120.500 -0.022 0.000 2.105 498 R HA -0.194 5.761 4.340 2.692 0.000 0.239 498 R C 2.425 178.715 176.300 -0.015 0.000 1.135 498 R CA 1.535 57.621 56.100 -0.024 0.000 0.967 498 R CB -0.267 30.011 30.300 -0.037 0.000 0.861 498 R HN 0.371 nan 8.270 nan 0.000 0.442 499 Q N 0.943 120.740 119.800 -0.005 0.000 2.020 499 Q HA -0.236 5.719 4.340 2.692 0.000 0.202 499 Q C 2.046 178.039 176.000 -0.011 0.000 0.982 499 Q CA 1.649 57.451 55.803 -0.000 0.000 0.838 499 Q CB 0.099 28.849 28.738 0.020 0.000 0.899 499 Q HN 0.388 nan 8.270 nan 0.000 0.423 500 Q N 0.283 120.079 119.800 -0.007 0.000 2.030 500 Q HA -0.231 5.724 4.340 2.692 0.000 0.204 500 Q C 1.968 177.958 176.000 -0.016 0.000 0.986 500 Q CA 2.006 57.803 55.803 -0.011 0.000 0.843 500 Q CB -0.055 28.679 28.738 -0.006 0.000 0.904 500 Q HN 0.430 nan 8.270 nan 0.000 0.420 501 E N 0.084 120.275 120.200 -0.014 0.000 2.114 501 E HA -0.246 5.719 4.350 2.692 0.000 0.199 501 E C 1.922 178.510 176.600 -0.020 0.000 1.008 501 E CA 1.536 57.927 56.400 -0.015 0.000 0.810 501 E CB -0.108 29.583 29.700 -0.014 0.000 0.739 501 E HN 0.379 nan 8.360 nan 0.000 0.456 502 M N -0.027 119.557 119.600 -0.026 0.000 2.200 502 M HA -0.135 5.960 4.480 2.692 0.000 0.265 502 M C 1.993 178.262 176.300 -0.053 0.000 1.066 502 M CA 1.261 56.538 55.300 -0.038 0.000 1.127 502 M CB -0.003 32.570 32.600 -0.046 0.000 1.379 502 M HN 0.016 nan 8.290 nan 0.000 0.420 503 E N 0.235 120.406 120.200 -0.048 0.000 2.204 503 E HA -0.128 5.838 4.350 2.692 0.000 0.195 503 E C 1.820 178.396 176.600 -0.041 0.000 0.990 503 E CA 1.149 57.516 56.400 -0.055 0.000 0.821 503 E CB -0.014 29.660 29.700 -0.043 0.000 0.750 503 E HN 0.504 nan 8.360 nan 0.000 0.477 504 A N 0.315 123.118 122.820 -0.028 0.000 2.169 504 A HA 0.296 6.232 4.320 2.692 0.000 0.210 504 A C 2.064 179.640 177.584 -0.014 0.000 1.168 504 A CA 0.688 52.714 52.037 -0.018 0.000 0.813 504 A CB 0.187 19.179 19.000 -0.012 0.000 0.861 504 A HN 0.227 nan 8.150 nan 0.000 0.481 505 A N -0.243 122.567 122.820 -0.017 0.000 2.169 505 A HA 0.133 6.068 4.320 2.692 0.000 0.212 505 A C 0.170 177.752 177.584 -0.003 0.000 1.153 505 A CA 0.081 52.114 52.037 -0.007 0.000 0.756 505 A CB -0.173 18.825 19.000 -0.005 0.000 0.813 505 A HN 0.323 nan 8.150 nan 0.000 0.471 506 D N 0.760 121.147 120.400 -0.022 0.000 2.450 506 D HA 0.148 6.404 4.640 2.692 0.000 0.247 506 D C 1.451 177.757 176.300 0.009 0.000 1.162 506 D CA 1.130 55.117 54.000 -0.021 0.000 0.879 506 D CB 1.363 42.123 40.800 -0.066 0.000 1.163 506 D HN 0.437 nan 8.370 nan 0.000 0.472 507 T N -0.320 114.256 114.554 0.036 0.000 3.042 507 T HA 0.058 6.024 4.350 2.692 0.000 0.245 507 T C 0.645 175.377 174.700 0.054 0.000 1.029 507 T CA -0.051 62.074 62.100 0.041 0.000 1.120 507 T CB 0.300 69.195 68.868 0.045 0.000 0.917 507 T HN 0.297 nan 8.240 nan 0.000 0.467 508 E N 2.897 123.147 120.200 0.084 0.000 2.248 508 E HA 0.460 6.426 4.350 2.692 0.000 0.272 508 E C -2.643 174.022 176.600 0.109 0.000 1.008 508 E CA -2.690 53.774 56.400 0.106 0.000 0.856 508 E CB 0.922 30.715 29.700 0.156 0.000 1.120 508 E HN 0.279 nan 8.360 nan 0.000 0.397 509 P HA -0.029 nan 4.420 nan 0.000 0.274 509 P C 0.209 177.633 177.300 0.207 0.000 1.231 509 P CA -0.342 62.834 63.100 0.126 0.000 0.790 509 P CB 0.553 32.312 31.700 0.098 0.000 0.951 510 F N 2.614 122.587 119.950 0.038 0.000 2.111 510 F HA -0.293 5.849 4.527 2.692 0.000 0.300 510 F C 2.202 178.102 175.800 0.166 0.000 1.088 510 F CA 2.138 60.178 58.000 0.067 0.000 1.243 510 F CB -1.332 37.688 39.000 0.034 0.000 0.996 510 F HN 0.414 nan 8.300 nan 0.000 0.483 511 A N -0.486 122.356 122.820 0.036 0.000 1.902 511 A HA -0.129 5.806 4.320 2.692 0.000 0.217 511 A C 2.365 179.937 177.584 -0.019 0.000 1.181 511 A CA 2.080 54.070 52.037 -0.078 0.000 0.623 511 A CB -1.284 17.711 19.000 -0.009 0.000 0.818 511 A HN 0.260 nan 8.150 nan 0.000 0.443 512 V N -2.632 117.321 119.914 0.064 0.000 2.591 512 V HA -0.193 5.542 4.120 2.692 0.000 0.249 512 V C 2.093 178.249 176.094 0.104 0.000 1.053 512 V CA 1.386 63.727 62.300 0.067 0.000 1.068 512 V CB -0.941 30.927 31.823 0.075 0.000 0.689 512 V HN 0.815 nan 8.190 nan 0.000 0.462 513 W N 0.601 121.886 121.300 -0.025 0.000 2.318 513 W HA -0.216 6.059 4.660 2.692 0.000 0.313 513 W C 2.187 178.674 176.519 -0.053 0.000 1.221 513 W CA 1.862 59.199 57.345 -0.014 0.000 1.266 513 W CB -0.304 29.197 29.460 0.069 0.000 1.150 513 W HN 0.121 nan 8.180 nan 0.000 0.496 514 L N 0.129 121.428 121.223 0.126 0.000 1.956 514 L HA -0.216 5.739 4.340 2.692 0.000 0.216 514 L C 1.623 178.431 176.870 -0.104 0.000 1.073 514 L CA 1.515 56.355 54.840 -0.001 0.000 0.762 514 L CB -1.145 40.890 42.059 -0.040 0.000 0.889 514 L HN -0.054 nan 8.230 nan 0.000 0.433 515 E N 0.000 120.157 120.200 -0.071 0.000 2.725 515 E HA 0.000 5.965 4.350 2.692 0.000 0.291 515 E CA 0.000 56.358 56.400 -0.070 0.000 0.976 515 E CB 0.000 29.673 29.700 -0.045 0.000 0.812 515 E HN 0.000 nan 8.360 nan 0.000 0.440