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 1shn_1_B DATA FIRST_RESID 1 DATA SEQUENCE EEDKAYWNKD AQDALDKQLG IKLREKQAKN VIFFLGDGMS LSTVTAARIY DATA SEQUENCE KGGLTGKFER EKISWEEFDF AALSKTYNTD KQVTDSAASA TAYLTGVKTN DATA SEQUENCE QGVIGLDANT VRTNcSYQLD ESLFTYSIAH WFQEAGRSTG VVTSTRVTHA DATA SEQUENCE TPAGTYAHVA DRDWENDSDV VHDREDPEIc DDIAEQLVFR EPGKNFKVIM DATA SEQUENCE GGGRRGFFPE EALDIEDGIP GEREDGKHLI TDWLDDKASQ GATASYVWNR DATA SEQUENCE DDLLAVDIRN TDYLMGLFSY THLDTVLTRD AEMDPTLPEM TKVAIEMLTK DATA SEQUENCE DENGFFLLVE GGRIDHMHHA NQIRQSLAET LDMEEAVSMA LSMTDPEETI DATA SEQUENCE ILVTADHGHT LTITGYADRN TDILDFAGIS DLDDRRYTIL DYGSGPGYHI DATA SEQUENCE TEDGKRYEPT EEDLKDINFR YASAAPKHSV THDGTDVGIW VNGPFAHLFT DATA SEQUENCE GVYEENYIPH ALAYAAcVGT GRTFcD 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 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.271 176.600 -0.548 0.000 1.382 1 E CA 0.000 56.229 56.400 -0.286 0.000 0.976 1 E CB 0.000 29.602 29.700 -0.164 0.000 0.812 2 E N 1.727 121.551 120.200 -0.626 0.000 2.222 2 E HA 0.073 4.423 4.350 -0.000 0.000 0.312 2 E C -0.717 175.811 176.600 -0.121 0.000 1.263 2 E CA 0.171 56.096 56.400 -0.792 0.000 1.356 2 E CB -0.307 29.175 29.700 -0.363 0.000 1.180 2 E HN 0.307 nan 8.360 nan 0.000 0.494 3 D N -0.332 120.013 120.400 -0.091 0.000 2.564 3 D HA 0.046 4.686 4.640 -0.000 0.000 0.273 3 D C 1.029 177.474 176.300 0.242 0.000 1.192 3 D CA -0.787 53.283 54.000 0.117 0.000 1.080 3 D CB 0.731 41.559 40.800 0.046 0.000 1.160 3 D HN -0.031 nan 8.370 nan 0.000 0.607 4 K N -0.446 120.073 120.400 0.198 0.000 2.001 4 K HA -0.234 4.086 4.320 -0.000 0.000 0.214 4 K C 1.966 178.678 176.600 0.186 0.000 1.050 4 K CA 1.885 58.294 56.287 0.203 0.000 0.934 4 K CB -0.694 31.880 32.500 0.123 0.000 0.718 4 K HN 0.440 nan 8.250 nan 0.000 0.443 5 A N 0.270 123.165 122.820 0.125 0.000 1.908 5 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 5 A C 2.130 179.769 177.584 0.092 0.000 1.181 5 A CA 1.696 53.787 52.037 0.089 0.000 0.627 5 A CB -1.050 17.985 19.000 0.059 0.000 0.818 5 A HN 0.657 nan 8.150 nan 0.000 0.445 6 Y N -1.344 118.912 120.300 -0.074 0.000 2.165 6 Y HA -0.266 4.284 4.550 -0.000 0.000 0.286 6 Y C 2.093 177.851 175.900 -0.236 0.000 1.155 6 Y CA 2.038 60.010 58.100 -0.215 0.000 1.164 6 Y CB -0.355 37.882 38.460 -0.371 0.000 0.978 6 Y HN 0.469 nan 8.280 nan 0.000 0.513 7 W N 0.363 121.780 121.300 0.195 0.000 2.453 7 W HA -0.112 4.548 4.660 -0.000 0.000 0.289 7 W C 2.269 178.796 176.519 0.014 0.000 1.215 7 W CA 0.639 58.045 57.345 0.103 0.000 1.297 7 W CB -0.313 29.230 29.460 0.140 0.000 1.113 7 W HN -0.011 nan 8.180 nan 0.000 0.551 8 N N 0.884 119.713 118.700 0.215 0.000 2.084 8 N HA -0.194 4.546 4.740 -0.000 0.000 0.190 8 N C 1.580 177.114 175.510 0.041 0.000 1.030 8 N CA 1.660 54.779 53.050 0.113 0.000 0.849 8 N CB -0.699 37.838 38.487 0.083 0.000 1.012 8 N HN 0.217 nan 8.380 nan 0.000 0.423 9 K N 1.048 121.436 120.400 -0.020 0.000 2.026 9 K HA -0.166 4.154 4.320 -0.000 0.000 0.208 9 K C 1.581 178.121 176.600 -0.100 0.000 1.048 9 K CA 1.724 57.966 56.287 -0.076 0.000 0.929 9 K CB -0.218 32.206 32.500 -0.126 0.000 0.713 9 K HN -0.020 nan 8.250 nan 0.000 0.439 10 D N -0.255 120.047 120.400 -0.162 0.000 2.123 10 D HA -0.158 4.482 4.640 -0.000 0.000 0.196 10 D C 1.699 177.996 176.300 -0.005 0.000 0.992 10 D CA 1.641 55.554 54.000 -0.145 0.000 0.833 10 D CB -0.065 40.623 40.800 -0.188 0.000 0.954 10 D HN 0.397 nan 8.370 nan 0.000 0.455 11 A N -0.128 122.729 122.820 0.061 0.000 1.898 11 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 11 A C 2.152 179.753 177.584 0.028 0.000 1.181 11 A CA 1.111 53.187 52.037 0.066 0.000 0.620 11 A CB -0.500 18.555 19.000 0.092 0.000 0.819 11 A HN 0.188 nan 8.150 nan 0.000 0.442 12 Q N 0.197 120.006 119.800 0.015 0.000 2.124 12 Q HA -0.166 4.173 4.340 -0.000 0.000 0.202 12 Q C 1.394 177.389 176.000 -0.007 0.000 0.977 12 Q CA 1.619 57.424 55.803 0.004 0.000 0.850 12 Q CB -0.458 28.279 28.738 -0.000 0.000 0.901 12 Q HN 0.632 nan 8.270 nan 0.000 0.429 13 D N 0.375 120.763 120.400 -0.021 0.000 2.117 13 D HA -0.071 4.569 4.640 -0.000 0.000 0.198 13 D C 1.731 178.022 176.300 -0.015 0.000 0.982 13 D CA 1.322 55.306 54.000 -0.027 0.000 0.828 13 D CB -0.115 40.655 40.800 -0.049 0.000 0.967 13 D HN 0.221 nan 8.370 nan 0.000 0.464 14 A N 0.762 123.579 122.820 -0.006 0.000 1.933 14 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 14 A C 2.119 179.704 177.584 0.002 0.000 1.175 14 A CA 0.904 52.943 52.037 0.003 0.000 0.628 14 A CB -0.622 18.388 19.000 0.018 0.000 0.814 14 A HN 0.242 nan 8.150 nan 0.000 0.444 15 L N 0.173 121.399 121.223 0.005 0.000 2.046 15 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 15 L C 1.600 178.470 176.870 -0.000 0.000 1.077 15 L CA 2.473 57.316 54.840 0.004 0.000 0.747 15 L CB -0.737 41.326 42.059 0.008 0.000 0.896 15 L HN 0.327 nan 8.230 nan 0.000 0.432 16 D N -0.121 120.277 120.400 -0.002 0.000 2.123 16 D HA -0.250 4.390 4.640 -0.000 0.000 0.196 16 D C 2.100 178.398 176.300 -0.004 0.000 0.992 16 D CA 1.520 55.518 54.000 -0.004 0.000 0.833 16 D CB -0.094 40.701 40.800 -0.007 0.000 0.954 16 D HN 0.433 nan 8.370 nan 0.000 0.455 17 K N 0.459 120.856 120.400 -0.005 0.000 2.057 17 K HA -0.233 4.087 4.320 -0.000 0.000 0.207 17 K C 2.116 178.712 176.600 -0.007 0.000 1.049 17 K CA 1.326 57.611 56.287 -0.004 0.000 0.931 17 K CB 0.040 32.538 32.500 -0.003 0.000 0.714 17 K HN -0.103 nan 8.250 nan 0.000 0.440 18 Q N 0.933 120.726 119.800 -0.012 0.000 2.084 18 Q HA -0.088 4.252 4.340 -0.000 0.000 0.202 18 Q C 1.874 177.867 176.000 -0.012 0.000 0.978 18 Q CA 1.566 57.356 55.803 -0.022 0.000 0.844 18 Q CB -0.130 28.596 28.738 -0.020 0.000 0.898 18 Q HN 0.415 nan 8.270 nan 0.000 0.426 19 L N -0.949 120.271 121.223 -0.004 0.000 2.376 19 L HA 0.056 4.396 4.340 -0.000 0.000 0.219 19 L C 1.837 178.709 176.870 0.004 0.000 1.133 19 L CA 0.760 55.601 54.840 0.001 0.000 0.816 19 L CB -0.232 41.828 42.059 0.002 0.000 0.933 19 L HN 0.351 nan 8.230 nan 0.000 0.449 20 G N -0.517 108.284 108.800 0.003 0.000 3.042 20 G HA2 0.183 4.143 3.960 -0.000 0.000 0.212 20 G HA3 0.183 4.143 3.960 -0.000 0.000 0.212 20 G C 0.680 175.587 174.900 0.012 0.000 1.166 20 G CA -0.401 44.703 45.100 0.006 0.000 0.767 20 G HN 0.128 nan 8.290 nan 0.000 0.546 21 I N 1.234 121.813 120.570 0.015 0.000 2.710 21 I HA 0.111 4.281 4.170 -0.000 0.000 0.286 21 I C -0.089 176.052 176.117 0.040 0.000 1.181 21 I CA 0.202 61.523 61.300 0.035 0.000 1.430 21 I CB 0.937 38.960 38.000 0.038 0.000 1.367 21 I HN -0.202 nan 8.210 nan 0.000 0.577 22 K N 7.102 127.530 120.400 0.046 0.000 2.323 22 K HA 0.517 4.837 4.320 -0.000 0.000 0.259 22 K C -0.684 175.929 176.600 0.021 0.000 0.947 22 K CA -0.715 55.583 56.287 0.019 0.000 0.819 22 K CB 1.684 34.188 32.500 0.005 0.000 1.109 22 K HN 0.466 nan 8.250 nan 0.000 0.429 23 L N 3.353 124.551 121.223 -0.042 0.000 2.416 23 L HA 0.269 4.609 4.340 -0.000 0.000 0.272 23 L C 0.723 177.515 176.870 -0.129 0.000 1.161 23 L CA -0.018 54.747 54.840 -0.125 0.000 0.845 23 L CB 0.425 42.289 42.059 -0.325 0.000 1.119 23 L HN 0.277 nan 8.230 nan 0.000 0.464 24 R N 3.149 123.568 120.500 -0.135 0.000 2.280 24 R HA 0.199 4.539 4.340 -0.000 0.000 0.326 24 R C -0.592 175.389 176.300 -0.532 0.000 1.080 24 R CA -0.241 55.719 56.100 -0.232 0.000 1.002 24 R CB 0.533 30.733 30.300 -0.168 0.000 1.136 24 R HN 0.569 nan 8.270 nan 0.000 0.509 25 E N 4.294 124.175 120.200 -0.531 0.000 2.360 25 E HA 0.072 4.422 4.350 -0.000 0.000 0.253 25 E C -0.555 175.611 176.600 -0.724 0.000 1.189 25 E CA -0.204 55.669 56.400 -0.878 0.000 1.252 25 E CB 0.415 29.923 29.700 -0.321 0.000 1.408 25 E HN 0.426 nan 8.360 nan 0.000 0.464 26 K N -0.031 119.894 120.400 -0.792 0.000 2.533 26 K HA 0.288 4.608 4.320 -0.000 0.000 0.272 26 K C -0.666 175.719 176.600 -0.357 0.000 0.985 26 K CA -1.091 54.899 56.287 -0.495 0.000 0.876 26 K CB 1.337 33.743 32.500 -0.156 0.000 1.452 26 K HN -0.005 nan 8.250 nan 0.000 0.439 27 Q N 0.747 120.492 119.800 -0.093 0.000 2.361 27 Q HA 0.207 4.547 4.340 -0.000 0.000 0.276 27 Q C -0.827 175.199 176.000 0.043 0.000 1.022 27 Q CA -0.149 55.696 55.803 0.069 0.000 0.898 27 Q CB 0.770 29.629 28.738 0.201 0.000 1.246 27 Q HN 0.639 nan 8.270 nan 0.000 0.410 28 A N 4.333 127.193 122.820 0.067 0.000 2.309 28 A HA 0.140 4.460 4.320 -0.000 0.000 0.290 28 A C 0.534 178.154 177.584 0.061 0.000 1.206 28 A CA -0.374 51.703 52.037 0.067 0.000 0.850 28 A CB 0.654 19.720 19.000 0.110 0.000 1.118 28 A HN 1.035 nan 8.150 nan 0.000 0.523 29 K N 2.393 122.817 120.400 0.040 0.000 2.044 29 K HA -0.019 4.301 4.320 -0.000 0.000 0.204 29 K C -0.012 176.616 176.600 0.046 0.000 1.049 29 K CA 0.948 57.258 56.287 0.039 0.000 0.945 29 K CB -0.017 32.500 32.500 0.028 0.000 0.724 29 K HN 0.781 nan 8.250 nan 0.000 0.440 30 N N 0.261 118.924 118.700 -0.062 0.000 2.319 30 N HA 0.267 5.007 4.740 -0.000 0.000 0.305 30 N C -1.552 173.882 175.510 -0.127 0.000 1.103 30 N CA -0.534 52.344 53.050 -0.287 0.000 0.815 30 N CB 2.436 40.509 38.487 -0.689 0.000 1.288 30 N HN -0.179 nan 8.380 nan 0.000 0.493 31 V N 2.194 122.016 119.914 -0.154 0.000 2.525 31 V HA 0.490 4.610 4.120 -0.000 0.000 0.299 31 V C -0.333 175.684 176.094 -0.128 0.000 1.034 31 V CA -0.603 61.700 62.300 0.005 0.000 0.863 31 V CB 1.546 33.524 31.823 0.259 0.000 0.999 31 V HN 0.520 nan 8.190 nan 0.000 0.423 32 I N 5.207 125.736 120.570 -0.070 0.000 2.389 32 I HA 0.466 4.636 4.170 -0.000 0.000 0.288 32 I C -1.248 174.849 176.117 -0.034 0.000 0.999 32 I CA -0.467 60.751 61.300 -0.137 0.000 1.129 32 I CB 1.874 39.859 38.000 -0.026 0.000 1.288 32 I HN 0.495 nan 8.210 nan 0.000 0.444 33 F N 7.537 127.297 119.950 -0.317 0.000 2.403 33 F HA 0.545 5.072 4.527 -0.000 0.000 0.355 33 F C -1.088 174.554 175.800 -0.264 0.000 1.119 33 F CA -1.017 56.906 58.000 -0.128 0.000 1.007 33 F CB 0.737 39.765 39.000 0.047 0.000 1.194 33 F HN 0.131 nan 8.300 nan 0.000 0.443 34 F N 6.374 126.379 119.950 0.092 0.000 2.404 34 F HA 0.484 5.011 4.527 -0.000 0.000 0.339 34 F C -0.451 175.372 175.800 0.038 0.000 1.105 34 F CA -0.752 57.269 58.000 0.034 0.000 1.087 34 F CB 1.380 40.303 39.000 -0.127 0.000 1.143 34 F HN 0.194 nan 8.300 nan 0.000 0.491 35 L N 3.339 124.684 121.223 0.204 0.000 2.372 35 L HA 0.554 4.894 4.340 -0.000 0.000 0.273 35 L C -0.361 176.513 176.870 0.006 0.000 0.989 35 L CA -0.230 54.657 54.840 0.078 0.000 0.841 35 L CB 1.095 43.203 42.059 0.082 0.000 1.225 35 L HN 0.686 nan 8.230 nan 0.000 0.414 36 G N 3.772 112.528 108.800 -0.073 0.000 2.393 36 G HA2 0.122 4.082 3.960 -0.000 0.000 0.311 36 G HA3 0.122 4.082 3.960 -0.000 0.000 0.311 36 G C -0.269 174.570 174.900 -0.101 0.000 1.067 36 G CA -0.348 44.707 45.100 -0.076 0.000 1.000 36 G HN 0.666 nan 8.290 nan 0.000 0.422 37 D N 2.291 122.634 120.400 -0.096 0.000 2.358 37 D HA 0.321 4.961 4.640 -0.000 0.000 0.258 37 D C 1.405 177.613 176.300 -0.153 0.000 1.223 37 D CA 1.109 55.026 54.000 -0.137 0.000 0.886 37 D CB 0.831 41.609 40.800 -0.037 0.000 1.120 37 D HN 0.749 nan 8.370 nan 0.000 0.482 38 G N 4.252 112.845 108.800 -0.344 0.000 2.143 38 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.248 38 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.248 38 G C 0.614 175.616 174.900 0.170 0.000 0.991 38 G CA 0.388 45.469 45.100 -0.031 0.000 0.689 38 G HN 0.580 nan 8.290 nan 0.000 0.522 39 M N 2.926 122.550 119.600 0.039 0.000 2.974 39 M HA 0.431 4.911 4.480 -0.000 0.000 0.301 39 M C 1.198 177.590 176.300 0.155 0.000 1.409 39 M CA 0.176 55.542 55.300 0.110 0.000 1.515 39 M CB -0.164 32.467 32.600 0.052 0.000 1.163 39 M HN 0.563 nan 8.290 nan 0.000 0.520 40 S N 2.786 118.604 115.700 0.197 0.000 2.580 40 S HA 0.063 4.533 4.470 -0.000 0.000 0.261 40 S C 1.116 175.833 174.600 0.195 0.000 1.366 40 S CA -0.570 57.732 58.200 0.169 0.000 0.996 40 S CB 0.684 63.972 63.200 0.146 0.000 0.902 40 S HN 0.812 nan 8.310 nan 0.000 0.566 41 L N 1.408 122.741 121.223 0.184 0.000 2.079 41 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 41 L C 3.072 180.038 176.870 0.159 0.000 1.081 41 L CA 1.669 56.637 54.840 0.213 0.000 0.752 41 L CB -0.891 41.267 42.059 0.164 0.000 0.896 41 L HN 0.992 nan 8.230 nan 0.000 0.433 42 S N -1.821 113.942 115.700 0.106 0.000 2.399 42 S HA -0.175 4.295 4.470 -0.000 0.000 0.231 42 S C 1.908 176.545 174.600 0.063 0.000 1.022 42 S CA 1.566 59.803 58.200 0.061 0.000 0.983 42 S CB -0.786 62.425 63.200 0.019 0.000 0.803 42 S HN 0.364 nan 8.310 nan 0.000 0.480 43 T N 2.238 116.856 114.554 0.108 0.000 2.788 43 T HA 0.000 4.350 4.350 -0.000 0.000 0.268 43 T C 1.871 176.622 174.700 0.084 0.000 1.044 43 T CA 1.341 63.516 62.100 0.125 0.000 1.139 43 T CB -0.516 68.484 68.868 0.220 0.000 0.867 43 T HN 0.307 nan 8.240 nan 0.000 0.454 44 V N 1.444 121.434 119.914 0.126 0.000 2.358 44 V HA -0.156 3.964 4.120 -0.000 0.000 0.246 44 V C 2.788 178.893 176.094 0.018 0.000 1.047 44 V CA 1.874 64.228 62.300 0.091 0.000 1.035 44 V CB -1.088 30.860 31.823 0.210 0.000 0.658 44 V HN 0.492 nan 8.190 nan 0.000 0.452 45 T N 0.487 115.073 114.554 0.054 0.000 2.708 45 T HA -0.145 4.205 4.350 -0.000 0.000 0.266 45 T C 2.088 176.798 174.700 0.016 0.000 1.037 45 T CA 1.662 63.782 62.100 0.033 0.000 1.146 45 T CB -0.433 68.464 68.868 0.049 0.000 0.865 45 T HN 0.554 nan 8.240 nan 0.000 0.435 46 A N 1.465 124.294 122.820 0.015 0.000 1.902 46 A HA 0.113 4.433 4.320 -0.000 0.000 0.217 46 A C 2.627 180.219 177.584 0.013 0.000 1.181 46 A CA 1.916 53.957 52.037 0.007 0.000 0.623 46 A CB -1.105 17.881 19.000 -0.023 0.000 0.818 46 A HN 0.511 nan 8.150 nan 0.000 0.443 47 A N -0.494 122.315 122.820 -0.017 0.000 1.969 47 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 47 A C 2.238 179.825 177.584 0.004 0.000 1.169 47 A CA 1.601 53.628 52.037 -0.018 0.000 0.635 47 A CB -0.501 18.456 19.000 -0.070 0.000 0.810 47 A HN 0.569 nan 8.150 nan 0.000 0.445 48 R N -0.029 120.436 120.500 -0.058 0.000 2.073 48 R HA -0.109 4.231 4.340 -0.000 0.000 0.234 48 R C 1.859 178.145 176.300 -0.023 0.000 1.134 48 R CA 1.944 57.989 56.100 -0.091 0.000 0.952 48 R CB -0.400 29.837 30.300 -0.104 0.000 0.850 48 R HN 0.552 nan 8.270 nan 0.000 0.433 49 I N -0.115 120.474 120.570 0.032 0.000 2.315 49 I HA -0.259 3.911 4.170 -0.000 0.000 0.248 49 I C 2.225 178.399 176.117 0.095 0.000 1.117 49 I CA 1.003 62.347 61.300 0.074 0.000 1.404 49 I CB -0.454 37.599 38.000 0.089 0.000 1.071 49 I HN 0.236 nan 8.210 nan 0.000 0.419 50 Y N 2.149 122.429 120.300 -0.033 0.000 2.097 50 Y HA -0.322 4.228 4.550 -0.000 0.000 0.282 50 Y C 2.658 178.515 175.900 -0.071 0.000 1.152 50 Y CA 1.956 60.031 58.100 -0.042 0.000 1.136 50 Y CB -0.239 38.188 38.460 -0.055 0.000 0.975 50 Y HN -0.034 nan 8.280 nan 0.000 0.498 51 K N -0.336 120.044 120.400 -0.033 0.000 2.063 51 K HA -0.149 4.171 4.320 -0.000 0.000 0.208 51 K C 2.278 178.748 176.600 -0.217 0.000 1.048 51 K CA 1.468 57.658 56.287 -0.161 0.000 0.928 51 K CB -0.780 31.644 32.500 -0.128 0.000 0.713 51 K HN 0.495 nan 8.250 nan 0.000 0.442 52 G N -0.091 108.608 108.800 -0.169 0.000 2.432 52 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.219 52 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.219 52 G C 1.454 176.101 174.900 -0.423 0.000 1.135 52 G CA 0.859 45.816 45.100 -0.238 0.000 0.767 52 G HN 0.490 nan 8.290 nan 0.000 0.550 53 G N 0.568 109.212 108.800 -0.259 0.000 2.448 53 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.218 53 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.218 53 G C 1.710 176.423 174.900 -0.312 0.000 1.135 53 G CA 0.505 45.471 45.100 -0.224 0.000 0.784 53 G HN 0.441 nan 8.290 nan 0.000 0.543 54 L N 0.822 121.845 121.223 -0.334 0.000 2.209 54 L HA 0.066 4.406 4.340 -0.000 0.000 0.207 54 L C 2.972 179.685 176.870 -0.260 0.000 1.094 54 L CA 1.497 56.166 54.840 -0.285 0.000 0.790 54 L CB -0.229 41.653 42.059 -0.295 0.000 0.932 54 L HN 0.348 nan 8.230 nan 0.000 0.447 55 T N -4.300 110.073 114.554 -0.300 0.000 3.044 55 T HA 0.233 4.583 4.350 -0.000 0.000 0.250 55 T C 1.480 175.982 174.700 -0.330 0.000 1.081 55 T CA 0.497 62.438 62.100 -0.266 0.000 1.040 55 T CB 0.635 69.365 68.868 -0.230 0.000 0.962 55 T HN 0.398 nan 8.240 nan 0.000 0.506 56 G N 1.691 110.156 108.800 -0.558 0.000 2.159 56 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.256 56 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.256 56 G C 0.751 175.229 174.900 -0.703 0.000 0.977 56 G CA 0.469 45.139 45.100 -0.717 0.000 0.652 56 G HN 0.565 nan 8.290 nan 0.000 0.531 57 K N -1.011 119.052 120.400 -0.562 0.000 2.356 57 K HA 0.432 4.752 4.320 -0.000 0.000 0.195 57 K C 1.391 177.938 176.600 -0.089 0.000 1.037 57 K CA 0.268 56.410 56.287 -0.242 0.000 1.014 57 K CB 0.183 32.597 32.500 -0.143 0.000 0.815 57 K HN 0.396 nan 8.250 nan 0.000 0.507 58 F N 0.506 120.438 119.950 -0.029 0.000 2.184 58 F HA -0.411 4.116 4.527 -0.000 0.000 0.318 58 F C 1.469 177.268 175.800 -0.002 0.000 0.994 58 F CA 1.619 59.609 58.000 -0.016 0.000 0.913 58 F CB -1.206 37.791 39.000 -0.003 0.000 4.133 58 F HN -0.022 nan 8.300 nan 0.000 0.138 59 E N 0.178 120.536 120.200 0.263 0.000 2.333 59 E HA -0.110 4.240 4.350 -0.000 0.000 0.198 59 E C 1.774 178.454 176.600 0.133 0.000 1.007 59 E CA 1.135 57.627 56.400 0.155 0.000 0.845 59 E CB -0.175 29.610 29.700 0.142 0.000 0.766 59 E HN 0.247 nan 8.360 nan 0.000 0.507 60 R N 0.583 121.170 120.500 0.145 0.000 2.276 60 R HA 0.061 4.401 4.340 -0.000 0.000 0.196 60 R C 0.613 176.935 176.300 0.038 0.000 0.961 60 R CA 0.107 56.278 56.100 0.119 0.000 1.024 60 R CB 0.019 30.399 30.300 0.132 0.000 0.940 60 R HN 0.126 nan 8.270 nan 0.000 0.480 61 E N 2.058 122.257 120.200 -0.003 0.000 2.442 61 E HA -0.002 4.348 4.350 -0.000 0.000 0.260 61 E C -0.681 175.867 176.600 -0.087 0.000 1.148 61 E CA 0.736 57.095 56.400 -0.069 0.000 0.976 61 E CB 0.523 30.159 29.700 -0.106 0.000 0.967 61 E HN -0.115 nan 8.360 nan 0.000 0.454 62 K N 2.249 122.566 120.400 -0.139 0.000 2.427 62 K HA 0.382 4.702 4.320 -0.000 0.000 0.252 62 K C -0.647 175.765 176.600 -0.313 0.000 0.931 62 K CA -0.945 55.226 56.287 -0.194 0.000 0.793 62 K CB 1.500 33.903 32.500 -0.162 0.000 1.211 62 K HN 0.401 nan 8.250 nan 0.000 0.426 63 I N 2.571 122.862 120.570 -0.465 0.000 2.575 63 I HA -0.070 4.100 4.170 -0.000 0.000 0.285 63 I C 1.910 177.555 176.117 -0.787 0.000 1.085 63 I CA 0.586 61.430 61.300 -0.761 0.000 1.403 63 I CB 1.408 38.709 38.000 -1.164 0.000 1.409 63 I HN 0.872 nan 8.210 nan 0.000 0.557 64 S N 5.491 120.752 115.700 -0.732 0.000 2.374 64 S HA -0.224 4.246 4.470 -0.000 0.000 0.227 64 S C 1.402 175.620 174.600 -0.637 0.000 1.037 64 S CA 1.402 59.290 58.200 -0.520 0.000 1.024 64 S CB -0.738 62.245 63.200 -0.361 0.000 0.861 64 S HN 0.809 nan 8.310 nan 0.000 0.456 65 W N 1.919 122.729 121.300 -0.817 0.000 3.077 65 W HA 0.432 5.092 4.660 -0.000 0.000 0.245 65 W C 1.225 177.150 176.519 -0.989 0.000 1.316 65 W CA 0.011 56.524 57.345 -1.386 0.000 1.537 65 W CB -0.542 28.199 29.460 -1.198 0.000 1.131 65 W HN 0.252 nan 8.180 nan 0.000 0.695 66 E N 0.847 120.641 120.200 -0.677 0.000 2.481 66 E HA -0.100 4.250 4.350 -0.000 0.000 0.195 66 E C 1.708 178.238 176.600 -0.116 0.000 1.047 66 E CA 0.456 56.680 56.400 -0.294 0.000 0.867 66 E CB -0.085 29.427 29.700 -0.313 0.000 0.858 66 E HN 0.386 nan 8.360 nan 0.000 0.513 67 E N 0.240 120.341 120.200 -0.165 0.000 2.347 67 E HA -0.054 4.296 4.350 -0.000 0.000 0.196 67 E C 0.095 176.849 176.600 0.257 0.000 1.008 67 E CA 0.311 56.727 56.400 0.027 0.000 0.852 67 E CB 0.145 29.872 29.700 0.046 0.000 0.783 67 E HN 0.098 nan 8.360 nan 0.000 0.505 68 F N 1.485 121.502 119.950 0.111 0.000 2.506 68 F HA -0.026 4.501 4.527 -0.000 0.000 0.351 68 F C 1.654 177.521 175.800 0.113 0.000 1.136 68 F CA -0.563 57.531 58.000 0.157 0.000 1.298 68 F CB 0.238 39.390 39.000 0.253 0.000 1.145 68 F HN -0.124 nan 8.300 nan 0.000 0.593 69 D N 0.976 121.509 120.400 0.222 0.000 2.289 69 D HA -0.062 4.578 4.640 -0.000 0.000 0.207 69 D C -0.004 176.045 176.300 -0.417 0.000 0.966 69 D CA 1.127 55.052 54.000 -0.125 0.000 0.868 69 D CB 0.069 40.712 40.800 -0.262 0.000 0.943 69 D HN 0.139 nan 8.370 nan 0.000 0.514 70 F N 0.565 120.669 119.950 0.257 0.000 2.426 70 F HA 0.541 5.068 4.527 -0.000 0.000 0.348 70 F C 0.368 176.308 175.800 0.234 0.000 1.124 70 F CA -0.950 57.191 58.000 0.235 0.000 1.008 70 F CB 1.711 40.854 39.000 0.238 0.000 1.139 70 F HN -0.281 nan 8.300 nan 0.000 0.452 71 A N 2.266 125.236 122.820 0.250 0.000 2.384 71 A HA 1.012 5.332 4.320 -0.000 0.000 0.312 71 A C -1.104 176.505 177.584 0.041 0.000 1.113 71 A CA -0.406 51.644 52.037 0.022 0.000 0.779 71 A CB 1.537 20.502 19.000 -0.058 0.000 1.307 71 A HN 1.040 nan 8.150 nan 0.000 0.436 72 A N 0.349 123.110 122.820 -0.098 0.000 2.602 72 A HA 0.745 5.065 4.320 -0.000 0.000 0.290 72 A C -1.511 176.030 177.584 -0.071 0.000 1.114 72 A CA -0.489 51.587 52.037 0.065 0.000 0.683 72 A CB 0.666 19.902 19.000 0.393 0.000 1.281 72 A HN 0.878 nan 8.150 nan 0.000 0.416 73 L N 0.679 121.902 121.223 -0.001 0.000 2.331 73 L HA 0.764 5.103 4.340 -0.000 0.000 0.275 73 L C 0.250 177.152 176.870 0.054 0.000 1.022 73 L CA -0.659 54.162 54.840 -0.031 0.000 0.812 73 L CB 2.007 44.039 42.059 -0.044 0.000 1.257 73 L HN 0.645 nan 8.230 nan 0.000 0.435 74 S N 1.702 117.430 115.700 0.047 0.000 2.605 74 S HA 0.417 4.887 4.470 -0.000 0.000 0.308 74 S C -0.840 173.813 174.600 0.088 0.000 1.113 74 S CA -0.854 57.408 58.200 0.104 0.000 1.049 74 S CB 0.889 64.149 63.200 0.100 0.000 1.001 74 S HN 0.499 nan 8.310 nan 0.000 0.480 75 K N 3.251 123.710 120.400 0.098 0.000 2.285 75 K HA 0.222 4.542 4.320 -0.000 0.000 0.286 75 K C 1.043 177.674 176.600 0.052 0.000 1.072 75 K CA -0.240 56.115 56.287 0.114 0.000 0.913 75 K CB 0.751 33.352 32.500 0.168 0.000 1.067 75 K HN 0.761 nan 8.250 nan 0.000 0.479 76 T N -1.076 113.538 114.554 0.100 0.000 3.060 76 T HA -0.023 4.327 4.350 -0.000 0.000 0.249 76 T C 0.694 175.437 174.700 0.072 0.000 1.079 76 T CA -0.385 61.763 62.100 0.080 0.000 1.013 76 T CB -0.465 68.490 68.868 0.145 0.000 0.975 76 T HN 0.516 nan 8.240 nan 0.000 0.518 77 Y N 3.512 123.860 120.300 0.080 0.000 2.890 77 Y HA 0.333 4.883 4.550 -0.000 0.000 0.341 77 Y C 0.269 176.206 175.900 0.062 0.000 1.269 77 Y CA -1.413 56.724 58.100 0.061 0.000 1.517 77 Y CB -0.051 38.435 38.460 0.043 0.000 1.314 77 Y HN 0.320 nan 8.280 nan 0.000 0.622 78 N N -0.124 118.670 118.700 0.157 0.000 2.813 78 N HA 0.307 5.047 4.740 -0.000 0.000 0.320 78 N C 0.477 176.068 175.510 0.135 0.000 1.315 78 N CA -0.328 52.757 53.050 0.059 0.000 0.871 78 N CB 0.167 38.675 38.487 0.034 0.000 1.241 78 N HN 0.691 nan 8.380 nan 0.000 0.602 79 T N -4.579 110.016 114.554 0.068 0.000 3.085 79 T HA 0.010 4.360 4.350 -0.000 0.000 0.263 79 T C 0.088 174.823 174.700 0.058 0.000 1.127 79 T CA 1.134 63.278 62.100 0.073 0.000 1.103 79 T CB -0.543 68.342 68.868 0.028 0.000 0.921 79 T HN 0.719 nan 8.240 nan 0.000 0.510 80 D N -1.242 119.185 120.400 0.046 0.000 2.486 80 D HA 0.167 4.807 4.640 -0.000 0.000 0.243 80 D C 0.251 176.571 176.300 0.033 0.000 1.146 80 D CA -0.204 53.813 54.000 0.028 0.000 0.821 80 D CB 0.351 41.151 40.800 0.001 0.000 1.201 80 D HN 0.104 nan 8.370 nan 0.000 0.525 81 K N 0.657 121.089 120.400 0.054 0.000 2.426 81 K HA 0.342 4.661 4.320 -0.000 0.000 0.251 81 K C 0.653 177.307 176.600 0.090 0.000 0.941 81 K CA -0.444 55.873 56.287 0.050 0.000 0.808 81 K CB 2.529 35.045 32.500 0.027 0.000 1.265 81 K HN -0.125 nan 8.250 nan 0.000 0.432 82 Q N 0.013 119.853 119.800 0.066 0.000 2.079 82 Q HA -0.019 4.321 4.340 -0.000 0.000 0.200 82 Q C 0.308 176.374 176.000 0.109 0.000 0.974 82 Q CA 1.002 56.855 55.803 0.083 0.000 0.840 82 Q CB 0.227 28.987 28.738 0.037 0.000 0.898 82 Q HN 0.201 nan 8.270 nan 0.000 0.430 83 V N 1.421 121.379 119.914 0.073 0.000 2.313 83 V HA 0.158 4.277 4.120 -0.000 0.000 0.278 83 V C 0.051 176.183 176.094 0.064 0.000 1.017 83 V CA -0.518 61.825 62.300 0.071 0.000 0.823 83 V CB 1.299 33.145 31.823 0.037 0.000 1.010 83 V HN 0.083 nan 8.190 nan 0.000 0.443 84 T N 3.579 118.197 114.554 0.105 0.000 2.899 84 T HA 0.252 4.602 4.350 -0.000 0.000 0.295 84 T C 0.009 174.786 174.700 0.128 0.000 1.033 84 T CA -0.533 61.632 62.100 0.107 0.000 1.084 84 T CB 0.732 69.681 68.868 0.136 0.000 0.979 84 T HN 0.929 nan 8.240 nan 0.000 0.532 85 D N 1.730 122.193 120.400 0.104 0.000 2.451 85 D HA 0.256 4.896 4.640 -0.000 0.000 0.259 85 D C 1.104 177.551 176.300 0.246 0.000 1.201 85 D CA -0.580 53.517 54.000 0.162 0.000 1.028 85 D CB 0.314 41.148 40.800 0.058 0.000 1.095 85 D HN 0.407 nan 8.370 nan 0.000 0.539 86 S N -0.581 115.307 115.700 0.313 0.000 2.423 86 S HA -0.013 4.457 4.470 -0.000 0.000 0.231 86 S C 1.867 176.514 174.600 0.078 0.000 1.014 86 S CA 0.838 59.209 58.200 0.284 0.000 0.965 86 S CB -0.421 62.953 63.200 0.290 0.000 0.785 86 S HN 0.658 nan 8.310 nan 0.000 0.495 87 A N 1.968 124.790 122.820 0.003 0.000 1.841 87 A HA 0.213 4.533 4.320 -0.000 0.000 0.214 87 A C 2.398 179.919 177.584 -0.105 0.000 1.195 87 A CA 1.538 53.516 52.037 -0.099 0.000 0.611 87 A CB -1.232 17.696 19.000 -0.121 0.000 0.835 87 A HN 0.514 nan 8.150 nan 0.000 0.443 88 A N 0.216 123.002 122.820 -0.055 0.000 1.969 88 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 88 A C 2.476 180.027 177.584 -0.054 0.000 1.169 88 A CA 2.246 54.247 52.037 -0.059 0.000 0.635 88 A CB -0.881 18.104 19.000 -0.025 0.000 0.810 88 A HN 0.900 nan 8.150 nan 0.000 0.445 89 S N 0.267 115.978 115.700 0.018 0.000 2.368 89 S HA 0.065 4.535 4.470 -0.000 0.000 0.224 89 S C 2.125 176.576 174.600 -0.249 0.000 1.029 89 S CA 1.151 59.392 58.200 0.068 0.000 0.988 89 S CB -0.721 62.657 63.200 0.297 0.000 0.838 89 S HN 0.847 nan 8.310 nan 0.000 0.462 90 A N 1.844 124.435 122.820 -0.382 0.000 1.933 90 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 90 A C 2.390 179.547 177.584 -0.712 0.000 1.175 90 A CA 2.054 53.512 52.037 -0.966 0.000 0.628 90 A CB -1.695 17.036 19.000 -0.448 0.000 0.814 90 A HN 0.543 nan 8.150 nan 0.000 0.444 91 T N 0.216 114.540 114.554 -0.383 0.000 2.720 91 T HA -0.061 4.289 4.350 -0.000 0.000 0.268 91 T C 2.187 176.762 174.700 -0.208 0.000 1.037 91 T CA 1.640 63.582 62.100 -0.264 0.000 1.144 91 T CB -0.414 68.345 68.868 -0.181 0.000 0.864 91 T HN 0.617 nan 8.240 nan 0.000 0.444 92 A N 1.567 124.276 122.820 -0.185 0.000 1.841 92 A HA -0.066 4.253 4.320 -0.000 0.000 0.214 92 A C 2.110 179.695 177.584 0.002 0.000 1.195 92 A CA 1.771 53.776 52.037 -0.053 0.000 0.611 92 A CB -1.053 17.954 19.000 0.012 0.000 0.835 92 A HN 0.762 nan 8.150 nan 0.000 0.443 93 Y N -1.300 119.049 120.300 0.080 0.000 2.583 93 Y HA 0.404 4.954 4.550 -0.000 0.000 0.293 93 Y C 1.315 177.251 175.900 0.061 0.000 1.157 93 Y CA 0.476 58.662 58.100 0.144 0.000 1.315 93 Y CB -0.443 38.162 38.460 0.241 0.000 1.021 93 Y HN 0.131 nan 8.280 nan 0.000 0.536 94 L N -0.173 120.910 121.223 -0.234 0.000 2.609 94 L HA 0.123 4.463 4.340 -0.000 0.000 0.230 94 L C 2.016 178.830 176.870 -0.092 0.000 1.064 94 L CA 0.992 55.727 54.840 -0.174 0.000 0.873 94 L CB 0.100 41.982 42.059 -0.296 0.000 1.139 94 L HN 0.341 nan 8.230 nan 0.000 0.490 95 T N -4.350 110.153 114.554 -0.085 0.000 3.010 95 T HA 0.281 4.631 4.350 -0.000 0.000 0.257 95 T C 1.373 176.103 174.700 0.050 0.000 1.020 95 T CA 0.542 62.642 62.100 0.001 0.000 0.938 95 T CB 0.901 69.748 68.868 -0.034 0.000 1.049 95 T HN 0.328 nan 8.240 nan 0.000 0.522 96 G N 0.570 109.410 108.800 0.066 0.000 2.141 96 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.242 96 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.242 96 G C -0.089 174.980 174.900 0.283 0.000 0.982 96 G CA -0.016 45.209 45.100 0.209 0.000 0.662 96 G HN 0.851 nan 8.290 nan 0.000 0.527 97 V N 0.482 120.475 119.914 0.132 0.000 2.760 97 V HA 0.502 4.622 4.120 -0.000 0.000 0.309 97 V C 0.313 176.423 176.094 0.028 0.000 1.077 97 V CA -1.225 61.131 62.300 0.092 0.000 0.910 97 V CB 1.974 33.843 31.823 0.078 0.000 1.008 97 V HN 0.282 nan 8.190 nan 0.000 0.424 98 K N 1.442 121.850 120.400 0.014 0.000 2.154 98 K HA 0.721 5.041 4.320 -0.000 0.000 0.264 98 K C -0.227 176.360 176.600 -0.022 0.000 1.008 98 K CA -0.229 56.045 56.287 -0.021 0.000 0.937 98 K CB 1.665 34.133 32.500 -0.054 0.000 1.002 98 K HN 0.772 nan 8.250 nan 0.000 0.469 99 T N 0.185 114.718 114.554 -0.035 0.000 2.731 99 T HA 0.220 4.570 4.350 -0.000 0.000 0.300 99 T C -1.215 173.461 174.700 -0.039 0.000 1.283 99 T CA -0.892 61.183 62.100 -0.042 0.000 1.005 99 T CB 0.913 69.742 68.868 -0.064 0.000 1.420 99 T HN 0.484 nan 8.240 nan 0.000 0.503 100 N N 1.979 120.647 118.700 -0.054 0.000 2.444 100 N HA 0.209 4.949 4.740 -0.000 0.000 0.255 100 N C -0.223 175.253 175.510 -0.057 0.000 1.255 100 N CA -0.183 52.837 53.050 -0.050 0.000 0.933 100 N CB 0.352 38.798 38.487 -0.068 0.000 1.143 100 N HN 0.568 nan 8.380 nan 0.000 0.453 101 Q N 0.125 119.900 119.800 -0.042 0.000 2.308 101 Q HA 0.187 4.527 4.340 -0.000 0.000 0.313 101 Q C 0.985 176.937 176.000 -0.080 0.000 1.075 101 Q CA 1.546 57.321 55.803 -0.047 0.000 0.995 101 Q CB -0.382 28.332 28.738 -0.039 0.000 1.107 101 Q HN 0.835 nan 8.270 nan 0.000 0.380 102 G N 1.958 110.704 108.800 -0.090 0.000 2.176 102 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.253 102 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.253 102 G C -0.235 174.555 174.900 -0.184 0.000 0.979 102 G CA -0.004 45.014 45.100 -0.135 0.000 0.641 102 G HN 0.615 nan 8.290 nan 0.000 0.530 103 V N 1.508 121.327 119.914 -0.159 0.000 2.532 103 V HA 0.713 4.833 4.120 -0.000 0.000 0.295 103 V C 0.466 176.453 176.094 -0.178 0.000 1.041 103 V CA -0.561 61.633 62.300 -0.176 0.000 0.926 103 V CB 1.798 33.535 31.823 -0.144 0.000 0.992 103 V HN 0.294 nan 8.190 nan 0.000 0.457 104 I N 3.080 123.528 120.570 -0.203 0.000 2.447 104 I HA 0.561 4.731 4.170 -0.000 0.000 0.287 104 I C 0.971 176.945 176.117 -0.238 0.000 1.023 104 I CA -0.313 60.848 61.300 -0.232 0.000 1.083 104 I CB 1.688 39.523 38.000 -0.275 0.000 1.245 104 I HN 0.840 nan 8.210 nan 0.000 0.434 105 G N 5.455 114.119 108.800 -0.227 0.000 2.179 105 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.257 105 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.257 105 G C -0.304 174.520 174.900 -0.127 0.000 1.010 105 G CA 0.109 45.094 45.100 -0.192 0.000 0.736 105 G HN 0.474 nan 8.290 nan 0.000 0.513 106 L N 0.120 121.268 121.223 -0.126 0.000 2.371 106 L HA 0.565 4.905 4.340 -0.000 0.000 0.262 106 L C 0.212 177.042 176.870 -0.066 0.000 1.006 106 L CA -1.207 53.583 54.840 -0.082 0.000 0.818 106 L CB 1.689 43.712 42.059 -0.062 0.000 1.354 106 L HN 0.248 nan 8.230 nan 0.000 0.415 107 D N 1.213 121.592 120.400 -0.035 0.000 2.447 107 D HA 0.193 4.833 4.640 -0.000 0.000 0.265 107 D C 0.835 177.096 176.300 -0.064 0.000 1.250 107 D CA -0.195 53.785 54.000 -0.033 0.000 1.046 107 D CB 1.131 41.932 40.800 0.001 0.000 1.095 107 D HN 0.539 nan 8.370 nan 0.000 0.555 108 A N -0.158 122.630 122.820 -0.053 0.000 2.248 108 A HA -0.136 4.184 4.320 -0.000 0.000 0.210 108 A C 1.644 179.158 177.584 -0.116 0.000 1.174 108 A CA 0.449 52.443 52.037 -0.073 0.000 0.750 108 A CB -0.862 18.116 19.000 -0.036 0.000 0.780 108 A HN 0.554 nan 8.150 nan 0.000 0.478 109 N N 0.316 118.936 118.700 -0.133 0.000 2.381 109 N HA -0.067 4.673 4.740 -0.000 0.000 0.182 109 N C 0.100 175.314 175.510 -0.494 0.000 1.025 109 N CA 0.801 53.729 53.050 -0.203 0.000 0.888 109 N CB -0.273 38.140 38.487 -0.123 0.000 0.965 109 N HN 0.346 nan 8.380 nan 0.000 0.438 110 T N 1.447 115.720 114.554 -0.468 0.000 2.902 110 T HA 0.101 4.451 4.350 -0.000 0.000 0.301 110 T C 0.350 174.755 174.700 -0.491 0.000 1.012 110 T CA -0.023 61.686 62.100 -0.651 0.000 1.151 110 T CB 1.548 70.265 68.868 -0.252 0.000 0.946 110 T HN -0.225 nan 8.240 nan 0.000 0.542 111 V N 5.301 124.933 119.914 -0.470 0.000 2.383 111 V HA 0.295 4.415 4.120 -0.000 0.000 0.275 111 V C 0.847 176.964 176.094 0.039 0.000 1.036 111 V CA -0.819 61.450 62.300 -0.050 0.000 0.889 111 V CB 1.031 32.969 31.823 0.191 0.000 0.985 111 V HN 0.734 nan 8.190 nan 0.000 0.459 112 R N 3.435 123.914 120.500 -0.035 0.000 2.585 112 R HA 0.125 4.465 4.340 -0.000 0.000 0.275 112 R C 0.815 177.088 176.300 -0.046 0.000 1.018 112 R CA 1.327 57.379 56.100 -0.081 0.000 1.072 112 R CB 0.191 30.428 30.300 -0.105 0.000 0.953 112 R HN 1.004 nan 8.270 nan 0.000 0.419 113 T N 0.663 115.133 114.554 -0.140 0.000 5.979 113 T HA -0.192 4.158 4.350 -0.000 0.000 0.273 113 T C -0.097 174.773 174.700 0.282 0.000 2.195 113 T CA 1.336 63.432 62.100 -0.006 0.000 3.693 113 T CB -1.172 67.725 68.868 0.047 0.000 0.944 113 T HN 0.738 nan 8.240 nan 0.000 1.117 114 N N 0.854 119.696 118.700 0.238 0.000 2.527 114 N HA 0.323 5.063 4.740 -0.000 0.000 0.236 114 N C 1.217 176.912 175.510 0.307 0.000 0.999 114 N CA 0.082 53.290 53.050 0.262 0.000 0.935 114 N CB 0.749 39.361 38.487 0.209 0.000 1.132 114 N HN 0.426 nan 8.380 nan 0.000 0.511 115 c N 2.736 121.561 118.600 0.375 0.000 2.410 115 c HA -0.081 4.489 4.570 -0.000 0.000 0.281 115 c C 2.296 176.478 174.090 0.154 0.000 1.318 115 c CA 1.187 57.720 56.329 0.339 0.000 1.776 115 c CB -1.104 41.476 42.510 0.117 0.000 1.942 115 c HN 0.761 nan 8.230 nan 0.000 0.508 116 S N -0.111 115.598 115.700 0.015 0.000 2.392 116 S HA -0.204 4.266 4.470 -0.000 0.000 0.232 116 S C 1.326 175.889 174.600 -0.063 0.000 1.041 116 S CA 1.998 60.144 58.200 -0.090 0.000 1.026 116 S CB -0.623 62.427 63.200 -0.250 0.000 0.845 116 S HN 0.831 nan 8.310 nan 0.000 0.465 117 Y N 2.058 122.416 120.300 0.097 0.000 2.421 117 Y HA -0.100 4.450 4.550 -0.000 0.000 0.292 117 Y C 2.558 178.533 175.900 0.126 0.000 1.136 117 Y CA 0.954 59.107 58.100 0.087 0.000 1.255 117 Y CB -0.566 37.930 38.460 0.061 0.000 0.991 117 Y HN 0.497 nan 8.280 nan 0.000 0.552 118 Q N -0.284 119.674 119.800 0.263 0.000 2.403 118 Q HA 0.036 4.376 4.340 -0.000 0.000 0.203 118 Q C 1.010 177.194 176.000 0.307 0.000 0.932 118 Q CA 0.629 56.592 55.803 0.266 0.000 0.945 118 Q CB -0.273 28.601 28.738 0.226 0.000 1.045 118 Q HN 0.493 nan 8.270 nan 0.000 0.511 119 L N 0.259 121.601 121.223 0.199 0.000 2.529 119 L HA 0.191 4.531 4.340 -0.000 0.000 0.223 119 L C 0.481 177.386 176.870 0.058 0.000 1.113 119 L CA -0.103 54.811 54.840 0.124 0.000 0.861 119 L CB 0.215 42.305 42.059 0.052 0.000 1.012 119 L HN 0.169 nan 8.230 nan 0.000 0.461 120 D N 0.788 121.244 120.400 0.094 0.000 2.443 120 D HA 0.059 4.699 4.640 -0.000 0.000 0.221 120 D C 0.899 177.125 176.300 -0.124 0.000 1.097 120 D CA -0.041 53.962 54.000 0.005 0.000 0.865 120 D CB 1.085 41.934 40.800 0.083 0.000 1.034 120 D HN 0.093 nan 8.370 nan 0.000 0.511 121 E N 1.143 121.098 120.200 -0.407 0.000 2.204 121 E HA -0.168 4.182 4.350 -0.000 0.000 0.195 121 E C 1.724 178.097 176.600 -0.378 0.000 0.990 121 E CA 0.921 56.800 56.400 -0.869 0.000 0.821 121 E CB 0.281 29.584 29.700 -0.663 0.000 0.750 121 E HN 0.553 nan 8.360 nan 0.000 0.477 122 S N 0.533 116.149 115.700 -0.139 0.000 2.419 122 S HA -0.089 4.381 4.470 -0.000 0.000 0.233 122 S C 1.832 176.458 174.600 0.043 0.000 1.016 122 S CA 0.654 58.843 58.200 -0.019 0.000 0.974 122 S CB -0.263 62.940 63.200 0.004 0.000 0.786 122 S HN 0.221 nan 8.310 nan 0.000 0.492 123 L N -0.067 121.203 121.223 0.077 0.000 2.591 123 L HA 0.353 4.693 4.340 -0.000 0.000 0.228 123 L C -0.039 176.926 176.870 0.157 0.000 1.133 123 L CA -0.335 54.575 54.840 0.116 0.000 0.880 123 L CB -0.437 41.698 42.059 0.127 0.000 1.033 123 L HN 0.186 nan 8.230 nan 0.000 0.450 124 F N 1.610 121.443 119.950 -0.195 0.000 2.471 124 F HA 0.160 4.687 4.527 -0.000 0.000 0.353 124 F C 1.189 176.735 175.800 -0.422 0.000 1.113 124 F CA -0.958 56.763 58.000 -0.464 0.000 1.262 124 F CB 0.714 39.201 39.000 -0.856 0.000 1.146 124 F HN -0.077 nan 8.300 nan 0.000 0.578 125 T N 0.831 115.221 114.554 -0.273 0.000 2.888 125 T HA 0.636 4.986 4.350 -0.000 0.000 0.284 125 T C -1.089 173.405 174.700 -0.342 0.000 1.017 125 T CA -0.742 61.262 62.100 -0.159 0.000 1.022 125 T CB 1.198 70.044 68.868 -0.036 0.000 1.013 125 T HN 0.263 nan 8.240 nan 0.000 0.465 126 Y N 1.200 121.536 120.300 0.060 0.000 2.360 126 Y HA 0.542 5.092 4.550 -0.000 0.000 0.337 126 Y C 1.188 177.051 175.900 -0.063 0.000 1.039 126 Y CA -0.811 57.203 58.100 -0.142 0.000 1.109 126 Y CB 1.786 39.934 38.460 -0.521 0.000 1.201 126 Y HN 0.970 nan 8.280 nan 0.000 0.458 127 S N 2.212 117.899 115.700 -0.021 0.000 2.632 127 S HA 0.204 4.674 4.470 -0.000 0.000 0.267 127 S C 1.022 175.659 174.600 0.061 0.000 1.276 127 S CA -0.670 57.529 58.200 -0.001 0.000 0.998 127 S CB 0.781 63.956 63.200 -0.040 0.000 0.953 127 S HN 0.849 nan 8.310 nan 0.000 0.547 128 I N 1.036 121.614 120.570 0.013 0.000 2.454 128 I HA -0.082 4.088 4.170 -0.000 0.000 0.254 128 I C 2.334 178.392 176.117 -0.097 0.000 1.156 128 I CA 1.552 62.861 61.300 0.014 0.000 1.433 128 I CB -0.663 37.188 38.000 -0.248 0.000 1.082 128 I HN 0.867 nan 8.210 nan 0.000 0.432 129 A N -0.053 122.641 122.820 -0.209 0.000 1.898 129 A HA -0.308 4.012 4.320 -0.000 0.000 0.216 129 A C 2.132 179.846 177.584 0.217 0.000 1.181 129 A CA 1.967 54.021 52.037 0.028 0.000 0.620 129 A CB -1.098 18.047 19.000 0.241 0.000 0.819 129 A HN 0.696 nan 8.150 nan 0.000 0.442 130 H N -1.842 117.240 119.070 0.020 0.000 2.319 130 H HA -0.240 4.316 4.556 -0.000 0.000 0.297 130 H C 1.834 177.067 175.328 -0.158 0.000 1.097 130 H CA 2.448 58.420 56.048 -0.126 0.000 1.285 130 H CB -0.379 29.192 29.762 -0.318 0.000 1.368 130 H HN 0.686 nan 8.280 nan 0.000 0.495 131 W N -0.718 120.675 121.300 0.155 0.000 2.388 131 W HA -0.079 4.581 4.660 -0.000 0.000 0.294 131 W C 1.990 178.527 176.519 0.031 0.000 1.212 131 W CA 0.231 57.600 57.345 0.041 0.000 1.271 131 W CB -0.427 29.083 29.460 0.083 0.000 1.126 131 W HN 0.134 nan 8.180 nan 0.000 0.535 132 F N 0.907 120.952 119.950 0.158 0.000 2.134 132 F HA -0.257 4.270 4.527 -0.000 0.000 0.299 132 F C 2.479 178.336 175.800 0.095 0.000 1.097 132 F CA 1.808 59.886 58.000 0.129 0.000 1.264 132 F CB -1.044 38.047 39.000 0.153 0.000 1.001 132 F HN -0.067 nan 8.300 nan 0.000 0.479 133 Q N -0.244 119.695 119.800 0.231 0.000 2.084 133 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 133 Q C 2.138 178.156 176.000 0.030 0.000 0.978 133 Q CA 1.487 57.367 55.803 0.128 0.000 0.844 133 Q CB -0.285 28.522 28.738 0.116 0.000 0.898 133 Q HN 0.387 nan 8.270 nan 0.000 0.426 134 E N 0.438 120.601 120.200 -0.062 0.000 2.160 134 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 134 E C 1.577 178.186 176.600 0.015 0.000 0.991 134 E CA 1.133 57.504 56.400 -0.049 0.000 0.810 134 E CB -0.084 29.590 29.700 -0.043 0.000 0.742 134 E HN 0.315 nan 8.360 nan 0.000 0.466 135 A N 0.230 123.062 122.820 0.019 0.000 2.259 135 A HA 0.265 4.585 4.320 -0.000 0.000 0.208 135 A C 1.481 179.064 177.584 -0.002 0.000 1.201 135 A CA 0.840 52.865 52.037 -0.021 0.000 0.824 135 A CB -0.335 18.600 19.000 -0.108 0.000 0.838 135 A HN 0.251 nan 8.150 nan 0.000 0.485 136 G N -0.594 108.227 108.800 0.035 0.000 2.225 136 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.264 136 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.264 136 G C 0.083 175.037 174.900 0.089 0.000 1.060 136 G CA 0.461 45.595 45.100 0.056 0.000 0.833 136 G HN 0.681 nan 8.290 nan 0.000 0.498 137 R N -0.529 120.055 120.500 0.141 0.000 2.854 137 R HA 0.702 5.042 4.340 -0.000 0.000 0.271 137 R C 0.175 176.655 176.300 0.300 0.000 0.996 137 R CA -0.525 55.712 56.100 0.229 0.000 0.961 137 R CB 1.388 31.850 30.300 0.270 0.000 1.182 137 R HN 0.177 nan 8.270 nan 0.000 0.479 138 S N 0.290 116.171 115.700 0.301 0.000 2.632 138 S HA 0.462 4.932 4.470 -0.000 0.000 0.267 138 S C -0.216 174.543 174.600 0.265 0.000 1.276 138 S CA -0.543 57.800 58.200 0.239 0.000 0.998 138 S CB 1.371 64.656 63.200 0.142 0.000 0.953 138 S HN 0.680 nan 8.310 nan 0.000 0.547 139 T N -1.628 113.018 114.554 0.153 0.000 2.894 139 T HA 0.833 5.183 4.350 -0.000 0.000 0.309 139 T C -0.378 174.184 174.700 -0.230 0.000 1.208 139 T CA -0.773 61.338 62.100 0.018 0.000 1.016 139 T CB 1.807 70.728 68.868 0.088 0.000 1.192 139 T HN 0.900 nan 8.240 nan 0.000 0.491 140 G N -0.495 108.041 108.800 -0.441 0.000 2.576 140 G HA2 0.668 4.628 3.960 -0.000 0.000 0.290 140 G HA3 0.668 4.628 3.960 -0.000 0.000 0.290 140 G C -1.947 172.664 174.900 -0.481 0.000 1.442 140 G CA -0.345 44.466 45.100 -0.483 0.000 0.792 140 G HN 1.332 nan 8.290 nan 0.000 0.491 141 V N -0.531 119.209 119.914 -0.290 0.000 2.841 141 V HA 0.828 4.948 4.120 -0.000 0.000 0.310 141 V C -1.291 174.767 176.094 -0.060 0.000 1.090 141 V CA -0.574 61.636 62.300 -0.151 0.000 0.930 141 V CB 2.016 33.843 31.823 0.008 0.000 1.014 141 V HN 0.879 nan 8.190 nan 0.000 0.425 142 V N 5.000 124.880 119.914 -0.057 0.000 2.686 142 V HA 0.854 4.974 4.120 -0.000 0.000 0.306 142 V C -0.242 175.868 176.094 0.027 0.000 1.065 142 V CA 0.031 62.327 62.300 -0.008 0.000 0.894 142 V CB 2.004 33.798 31.823 -0.048 0.000 1.004 142 V HN 1.121 nan 8.190 nan 0.000 0.424 143 T N 1.286 115.888 114.554 0.080 0.000 2.821 143 T HA 0.336 4.686 4.350 -0.000 0.000 0.306 143 T C 0.677 175.442 174.700 0.108 0.000 1.313 143 T CA 0.310 62.466 62.100 0.092 0.000 1.012 143 T CB 1.987 70.934 68.868 0.131 0.000 1.298 143 T HN 0.828 nan 8.240 nan 0.000 0.502 144 S N 0.692 116.440 115.700 0.080 0.000 2.575 144 S HA 0.224 4.694 4.470 -0.000 0.000 0.215 144 S C 1.017 175.688 174.600 0.119 0.000 0.966 144 S CA 0.493 58.745 58.200 0.086 0.000 0.911 144 S CB -0.634 62.588 63.200 0.037 0.000 0.780 144 S HN 1.048 nan 8.310 nan 0.000 0.514 145 T N -0.430 114.198 114.554 0.123 0.000 2.910 145 T HA 0.517 4.867 4.350 -0.000 0.000 0.279 145 T C 0.019 174.923 174.700 0.339 0.000 0.989 145 T CA -1.094 61.156 62.100 0.250 0.000 0.968 145 T CB 0.654 69.519 68.868 -0.005 0.000 1.135 145 T HN 0.194 nan 8.240 nan 0.000 0.562 146 R N 0.345 121.111 120.500 0.443 0.000 2.697 146 R HA 0.166 4.506 4.340 -0.000 0.000 0.265 146 R C 1.658 178.129 176.300 0.285 0.000 1.009 146 R CA 0.323 56.563 56.100 0.235 0.000 1.099 146 R CB 0.325 30.688 30.300 0.105 0.000 0.965 146 R HN 0.644 nan 8.270 nan 0.000 0.428 147 V N -1.033 119.034 119.914 0.254 0.000 3.380 147 V HA -0.096 4.024 4.120 -0.000 0.000 0.268 147 V C 1.510 177.816 176.094 0.354 0.000 1.168 147 V CA 1.587 64.054 62.300 0.278 0.000 1.156 147 V CB -0.418 31.523 31.823 0.196 0.000 0.785 147 V HN 0.926 nan 8.190 nan 0.000 0.487 148 T N -2.663 112.079 114.554 0.312 0.000 3.086 148 T HA 0.163 4.513 4.350 -0.000 0.000 0.250 148 T C 0.719 175.525 174.700 0.177 0.000 1.074 148 T CA 0.303 62.546 62.100 0.239 0.000 0.988 148 T CB -0.700 68.236 68.868 0.113 0.000 0.988 148 T HN 0.748 nan 8.240 nan 0.000 0.530 149 H N 1.049 120.210 119.070 0.150 0.000 2.757 149 H HA 0.576 5.132 4.556 -0.000 0.000 0.370 149 H C 1.640 177.016 175.328 0.081 0.000 1.172 149 H CA 0.293 56.431 56.048 0.151 0.000 1.426 149 H CB 0.681 30.592 29.762 0.248 0.000 1.438 149 H HN 0.032 nan 8.280 nan 0.000 0.612 150 A N 2.861 125.224 122.820 -0.761 0.000 1.917 150 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 150 A C 2.308 179.654 177.584 -0.397 0.000 1.182 150 A CA 2.303 54.031 52.037 -0.514 0.000 0.633 150 A CB -1.338 17.413 19.000 -0.415 0.000 0.819 150 A HN 0.870 nan 8.150 nan 0.000 0.448 151 T N 0.491 114.786 114.554 -0.432 0.000 2.614 151 T HA -0.089 4.260 4.350 -0.000 0.000 0.263 151 T C -0.119 174.581 174.700 0.001 0.000 1.055 151 T CA 1.765 63.839 62.100 -0.044 0.000 1.162 151 T CB -1.234 67.754 68.868 0.200 0.000 0.863 151 T HN 0.511 nan 8.240 nan 0.000 0.414 152 P HA 0.033 nan 4.420 nan 0.000 0.218 152 P C 1.389 178.703 177.300 0.023 0.000 1.149 152 P CA 1.254 64.446 63.100 0.153 0.000 0.817 152 P CB -0.207 31.657 31.700 0.273 0.000 0.785 153 A N 0.752 123.456 122.820 -0.192 0.000 1.978 153 A HA -0.085 4.235 4.320 -0.000 0.000 0.220 153 A C 2.600 179.786 177.584 -0.663 0.000 1.170 153 A CA 1.921 53.543 52.037 -0.692 0.000 0.636 153 A CB -1.996 16.732 19.000 -0.453 0.000 0.810 153 A HN 0.295 nan 8.150 nan 0.000 0.448 154 G N -0.333 108.239 108.800 -0.379 0.000 2.485 154 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.221 154 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.221 154 G C 1.611 176.351 174.900 -0.267 0.000 1.115 154 G CA 1.947 46.841 45.100 -0.343 0.000 0.751 154 G HN 0.744 nan 8.290 nan 0.000 0.567 155 T N -2.418 112.067 114.554 -0.114 0.000 3.055 155 T HA 0.044 4.394 4.350 -0.000 0.000 0.265 155 T C 1.832 176.645 174.700 0.189 0.000 1.111 155 T CA 1.321 63.484 62.100 0.106 0.000 1.118 155 T CB -0.258 68.833 68.868 0.372 0.000 0.909 155 T HN 0.707 nan 8.240 nan 0.000 0.501 156 Y N -0.254 120.022 120.300 -0.040 0.000 2.438 156 Y HA 0.802 5.352 4.550 -0.000 0.000 0.274 156 Y C 0.685 176.355 175.900 -0.382 0.000 1.085 156 Y CA -1.090 56.906 58.100 -0.173 0.000 1.199 156 Y CB -0.071 38.260 38.460 -0.215 0.000 1.317 156 Y HN 0.295 nan 8.280 nan 0.000 0.545 157 A N 1.414 123.770 122.820 -0.773 0.000 2.264 157 A HA 0.694 5.013 4.320 -0.000 0.000 0.304 157 A C -1.090 175.997 177.584 -0.828 0.000 1.100 157 A CA -0.451 51.207 52.037 -0.632 0.000 0.839 157 A CB 0.283 18.933 19.000 -0.582 0.000 1.121 157 A HN 0.504 nan 8.150 nan 0.000 0.496 158 H N 0.387 119.250 119.070 -0.345 0.000 3.108 158 H HA 0.453 5.009 4.556 -0.000 0.000 0.301 158 H C -1.098 174.071 175.328 -0.265 0.000 1.139 158 H CA -0.262 55.499 56.048 -0.479 0.000 1.552 158 H CB 0.852 30.023 29.762 -0.985 0.000 1.663 158 H HN 0.667 nan 8.280 nan 0.000 0.517 159 V N -0.803 119.043 119.914 -0.113 0.000 2.925 159 V HA 0.749 4.869 4.120 -0.000 0.000 0.311 159 V C 0.780 176.805 176.094 -0.115 0.000 1.104 159 V CA -0.804 61.482 62.300 -0.022 0.000 0.954 159 V CB 1.885 33.704 31.823 -0.006 0.000 1.022 159 V HN 0.571 nan 8.190 nan 0.000 0.427 160 A N 1.090 123.854 122.820 -0.093 0.000 2.208 160 A HA 0.258 4.578 4.320 -0.000 0.000 0.209 160 A C 0.639 177.864 177.584 -0.598 0.000 1.161 160 A CA 1.196 53.103 52.037 -0.215 0.000 0.782 160 A CB -0.416 18.603 19.000 0.031 0.000 0.816 160 A HN 0.969 nan 8.150 nan 0.000 0.477 161 D N -1.262 118.515 120.400 -1.038 0.000 2.891 161 D HA 0.175 4.815 4.640 -0.000 0.000 0.224 161 D C 0.874 176.721 176.300 -0.756 0.000 1.321 161 D CA -0.428 52.929 54.000 -1.071 0.000 0.929 161 D CB 1.135 40.943 40.800 -1.654 0.000 1.551 161 D HN 0.285 nan 8.370 nan 0.000 0.574 162 R N 1.920 122.169 120.500 -0.419 0.000 2.241 162 R HA -0.069 4.271 4.340 -0.000 0.000 0.224 162 R C 0.353 176.550 176.300 -0.171 0.000 1.101 162 R CA 0.944 56.893 56.100 -0.251 0.000 0.995 162 R CB 0.029 30.216 30.300 -0.188 0.000 0.870 162 R HN 0.123 nan 8.270 nan 0.000 0.463 163 D N 0.362 120.633 120.400 -0.215 0.000 2.310 163 D HA -0.114 4.526 4.640 -0.000 0.000 0.212 163 D C 0.005 176.384 176.300 0.132 0.000 0.965 163 D CA 0.657 54.630 54.000 -0.045 0.000 0.879 163 D CB -0.098 40.691 40.800 -0.017 0.000 0.921 163 D HN 0.343 nan 8.370 nan 0.000 0.510 164 W N 2.354 123.633 121.300 -0.035 0.000 1.435 164 W HA 0.166 4.826 4.660 -0.000 0.000 0.471 164 W C 1.122 177.598 176.519 -0.071 0.000 0.590 164 W CA -0.774 56.544 57.345 -0.045 0.000 2.419 164 W CB -1.205 28.233 29.460 -0.035 0.000 1.251 164 W HN 0.132 nan 8.180 nan 0.000 0.338 165 E N 0.704 120.966 120.200 0.103 0.000 2.107 165 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 165 E C 0.644 177.189 176.600 -0.092 0.000 0.982 165 E CA 1.006 57.404 56.400 -0.002 0.000 0.809 165 E CB 0.284 29.969 29.700 -0.025 0.000 0.756 165 E HN 0.382 nan 8.360 nan 0.000 0.459 166 N N -0.438 118.206 118.700 -0.093 0.000 2.761 166 N HA -0.013 4.727 4.740 -0.000 0.000 0.283 166 N C 0.081 175.521 175.510 -0.116 0.000 1.377 166 N CA -0.451 52.501 53.050 -0.164 0.000 0.791 166 N CB 0.664 39.005 38.487 -0.243 0.000 1.540 166 N HN -0.259 nan 8.380 nan 0.000 0.539 167 D N -0.876 119.443 120.400 -0.135 0.000 2.224 167 D HA -0.172 4.468 4.640 -0.000 0.000 0.205 167 D C 1.286 177.513 176.300 -0.122 0.000 0.965 167 D CA 1.437 55.361 54.000 -0.128 0.000 0.852 167 D CB -0.558 40.176 40.800 -0.110 0.000 0.947 167 D HN 0.540 nan 8.370 nan 0.000 0.494 168 S N 0.500 116.137 115.700 -0.105 0.000 2.447 168 S HA -0.154 4.316 4.470 -0.000 0.000 0.233 168 S C 1.440 176.022 174.600 -0.031 0.000 1.006 168 S CA 0.910 59.067 58.200 -0.072 0.000 0.957 168 S CB -0.116 63.037 63.200 -0.079 0.000 0.773 168 S HN 0.097 nan 8.310 nan 0.000 0.507 169 D N 1.361 121.746 120.400 -0.025 0.000 2.162 169 D HA 0.032 4.672 4.640 -0.000 0.000 0.203 169 D C 2.160 178.486 176.300 0.042 0.000 0.967 169 D CA 0.894 54.941 54.000 0.079 0.000 0.840 169 D CB -0.282 40.608 40.800 0.151 0.000 0.972 169 D HN 0.344 nan 8.370 nan 0.000 0.482 170 V N 1.355 121.126 119.914 -0.239 0.000 2.255 170 V HA -0.218 3.902 4.120 -0.000 0.000 0.247 170 V C 2.774 178.661 176.094 -0.344 0.000 1.051 170 V CA 1.113 63.015 62.300 -0.663 0.000 1.018 170 V CB -0.578 30.846 31.823 -0.666 0.000 0.641 170 V HN 0.034 nan 8.190 nan 0.000 0.445 171 V N -0.061 119.743 119.914 -0.184 0.000 2.324 171 V HA -0.351 3.769 4.120 -0.000 0.000 0.250 171 V C 2.437 178.509 176.094 -0.037 0.000 1.060 171 V CA 2.628 64.865 62.300 -0.104 0.000 1.042 171 V CB -0.945 30.840 31.823 -0.065 0.000 0.650 171 V HN 0.753 nan 8.190 nan 0.000 0.450 172 H N 0.184 119.216 119.070 -0.064 0.000 2.422 172 H HA -0.141 4.415 4.556 -0.000 0.000 0.298 172 H C 1.610 176.949 175.328 0.019 0.000 1.098 172 H CA 1.793 57.833 56.048 -0.012 0.000 1.315 172 H CB -0.030 29.742 29.762 0.016 0.000 1.382 172 H HN 0.387 nan 8.280 nan 0.000 0.523 173 D N 0.174 120.584 120.400 0.016 0.000 2.328 173 D HA 0.056 4.695 4.640 -0.000 0.000 0.221 173 D C 0.180 176.462 176.300 -0.030 0.000 1.072 173 D CA 0.131 54.153 54.000 0.036 0.000 0.850 173 D CB 0.194 41.198 40.800 0.340 0.000 0.922 173 D HN 0.349 nan 8.370 nan 0.000 0.516 174 R N 0.337 120.782 120.500 -0.091 0.000 3.656 174 R HA -0.128 4.212 4.340 -0.000 0.000 0.297 174 R C -0.270 175.970 176.300 -0.099 0.000 1.166 174 R CA 0.612 56.658 56.100 -0.089 0.000 0.799 174 R CB -2.029 28.230 30.300 -0.069 0.000 1.285 174 R HN 0.226 nan 8.270 nan 0.000 0.477 175 E N 1.019 121.117 120.200 -0.170 0.000 2.232 175 E HA 0.199 4.549 4.350 -0.000 0.000 0.264 175 E C -0.299 176.167 176.600 -0.224 0.000 0.973 175 E CA -0.771 55.499 56.400 -0.217 0.000 0.849 175 E CB 1.039 30.496 29.700 -0.405 0.000 1.198 175 E HN -0.007 nan 8.360 nan 0.000 0.407 176 D N 2.092 122.379 120.400 -0.188 0.000 2.365 176 D HA 0.117 4.757 4.640 -0.000 0.000 0.237 176 D C -1.643 174.555 176.300 -0.170 0.000 1.190 176 D CA -2.194 51.717 54.000 -0.149 0.000 0.867 176 D CB 1.047 41.784 40.800 -0.104 0.000 1.050 176 D HN -0.041 nan 8.370 nan 0.000 0.491 177 P HA -0.145 nan 4.420 nan 0.000 0.219 177 P C 1.009 178.246 177.300 -0.105 0.000 1.146 177 P CA 0.764 63.770 63.100 -0.156 0.000 0.808 177 P CB 0.533 32.154 31.700 -0.131 0.000 0.779 178 E N -0.174 119.974 120.200 -0.086 0.000 2.110 178 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 178 E C 2.005 178.572 176.600 -0.055 0.000 0.988 178 E CA 1.186 57.548 56.400 -0.063 0.000 0.804 178 E CB -0.195 29.471 29.700 -0.057 0.000 0.745 178 E HN 0.442 nan 8.360 nan 0.000 0.458 179 I N -2.700 117.833 120.570 -0.062 0.000 4.181 179 I HA 0.136 4.306 4.170 -0.000 0.000 0.331 179 I C 0.286 176.384 176.117 -0.033 0.000 1.312 179 I CA -0.070 61.206 61.300 -0.042 0.000 1.146 179 I CB 0.736 38.712 38.000 -0.039 0.000 1.074 179 I HN -0.207 nan 8.210 nan 0.000 0.402 180 c N 3.642 122.196 118.600 -0.077 0.000 2.176 180 c HA 0.408 4.978 4.570 -0.000 0.000 0.329 180 c C -0.398 173.654 174.090 -0.063 0.000 1.113 180 c CA -0.726 55.549 56.329 -0.090 0.000 1.562 180 c CB -1.277 41.076 42.510 -0.263 0.000 2.040 180 c HN 0.332 nan 8.230 nan 0.000 0.460 181 D N 2.877 123.293 120.400 0.026 0.000 2.401 181 D HA 0.194 4.834 4.640 -0.000 0.000 0.254 181 D C 0.361 176.701 176.300 0.067 0.000 1.192 181 D CA 0.538 54.570 54.000 0.054 0.000 0.885 181 D CB 0.761 41.624 40.800 0.106 0.000 1.147 181 D HN 0.685 nan 8.370 nan 0.000 0.478 182 D N 0.487 120.906 120.400 0.031 0.000 2.398 182 D HA 0.101 4.741 4.640 -0.000 0.000 0.247 182 D C 1.298 177.628 176.300 0.051 0.000 1.227 182 D CA -0.584 53.446 54.000 0.049 0.000 0.980 182 D CB 1.018 41.804 40.800 -0.022 0.000 1.106 182 D HN 0.260 nan 8.370 nan 0.000 0.493 183 I N 0.017 120.615 120.570 0.047 0.000 2.252 183 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 183 I C 2.454 178.612 176.117 0.069 0.000 1.102 183 I CA 1.315 62.655 61.300 0.065 0.000 1.385 183 I CB -0.423 37.595 38.000 0.030 0.000 1.064 183 I HN 0.620 nan 8.210 nan 0.000 0.414 184 A N 0.455 123.199 122.820 -0.126 0.000 1.902 184 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 184 A C 2.208 179.665 177.584 -0.211 0.000 1.181 184 A CA 1.693 53.509 52.037 -0.369 0.000 0.623 184 A CB -0.557 17.870 19.000 -0.954 0.000 0.818 184 A HN 0.432 nan 8.150 nan 0.000 0.443 185 E N -0.378 119.756 120.200 -0.110 0.000 2.051 185 E HA -0.230 4.120 4.350 -0.000 0.000 0.192 185 E C 2.308 178.940 176.600 0.052 0.000 0.991 185 E CA 1.405 57.809 56.400 0.007 0.000 0.799 185 E CB -0.217 29.596 29.700 0.189 0.000 0.748 185 E HN 0.731 nan 8.360 nan 0.000 0.449 186 Q N 0.288 120.147 119.800 0.099 0.000 2.124 186 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 186 Q C 2.340 178.367 176.000 0.045 0.000 0.977 186 Q CA 0.817 56.700 55.803 0.132 0.000 0.850 186 Q CB -0.163 28.670 28.738 0.158 0.000 0.901 186 Q HN 0.194 nan 8.270 nan 0.000 0.429 187 L N 0.124 121.327 121.223 -0.034 0.000 2.046 187 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 187 L C 1.977 178.692 176.870 -0.259 0.000 1.077 187 L CA 1.586 56.183 54.840 -0.406 0.000 0.747 187 L CB -0.288 41.536 42.059 -0.391 0.000 0.896 187 L HN -0.028 nan 8.230 nan 0.000 0.432 188 V N -1.497 118.299 119.914 -0.197 0.000 2.825 188 V HA -0.068 4.052 4.120 -0.000 0.000 0.246 188 V C 1.871 177.811 176.094 -0.257 0.000 1.068 188 V CA 1.000 63.162 62.300 -0.229 0.000 1.088 188 V CB -0.376 31.199 31.823 -0.413 0.000 0.733 188 V HN 0.294 nan 8.190 nan 0.000 0.468 189 F N 0.085 120.059 119.950 0.040 0.000 2.656 189 F HA 0.349 4.876 4.527 -0.000 0.000 0.291 189 F C 1.365 177.181 175.800 0.028 0.000 1.122 189 F CA -0.184 57.834 58.000 0.030 0.000 1.427 189 F CB -0.030 38.989 39.000 0.033 0.000 1.125 189 F HN -0.009 nan 8.300 nan 0.000 0.583 190 R N 0.202 120.808 120.500 0.177 0.000 2.873 190 R HA 0.423 4.763 4.340 -0.000 0.000 0.264 190 R C -0.424 175.926 176.300 0.083 0.000 1.026 190 R CA -0.984 55.205 56.100 0.148 0.000 1.002 190 R CB 1.460 31.869 30.300 0.183 0.000 1.174 190 R HN -0.035 nan 8.270 nan 0.000 0.488 191 E N 1.738 122.011 120.200 0.122 0.000 2.313 191 E HA 0.197 4.546 4.350 -0.000 0.000 0.272 191 E C -2.070 174.620 176.600 0.151 0.000 1.038 191 E CA -1.613 54.857 56.400 0.116 0.000 0.863 191 E CB 0.725 30.523 29.700 0.163 0.000 1.060 191 E HN 0.234 nan 8.360 nan 0.000 0.402 192 P HA 0.078 nan 4.420 nan 0.000 0.245 192 P C 1.101 178.231 177.300 -0.282 0.000 1.206 192 P CA 0.547 63.692 63.100 0.075 0.000 0.781 192 P CB 0.291 32.133 31.700 0.236 0.000 0.994 193 G N 2.660 111.162 108.800 -0.497 0.000 2.440 193 G HA2 -0.284 3.675 3.960 -0.000 0.000 0.218 193 G HA3 -0.284 3.675 3.960 -0.000 0.000 0.218 193 G C 1.514 176.067 174.900 -0.578 0.000 1.154 193 G CA 1.046 45.514 45.100 -1.053 0.000 0.767 193 G HN 0.457 nan 8.290 nan 0.000 0.552 194 K N 0.213 120.485 120.400 -0.214 0.000 2.362 194 K HA 0.029 4.349 4.320 -0.000 0.000 0.200 194 K C 1.495 178.115 176.600 0.033 0.000 1.046 194 K CA 1.396 57.653 56.287 -0.050 0.000 0.952 194 K CB -0.300 32.198 32.500 -0.004 0.000 0.753 194 K HN 0.381 nan 8.250 nan 0.000 0.466 195 N N -0.192 118.558 118.700 0.082 0.000 2.299 195 N HA 0.078 4.818 4.740 -0.000 0.000 0.187 195 N C -0.669 175.123 175.510 0.469 0.000 1.099 195 N CA -0.487 52.716 53.050 0.255 0.000 0.867 195 N CB 0.157 38.778 38.487 0.223 0.000 0.974 195 N HN -0.052 nan 8.380 nan 0.000 0.477 196 F N 2.124 122.218 119.950 0.240 0.000 2.608 196 F HA 0.002 4.529 4.527 -0.000 0.000 0.380 196 F C 1.591 177.575 175.800 0.306 0.000 1.083 196 F CA -0.204 57.929 58.000 0.222 0.000 1.266 196 F CB 0.632 39.724 39.000 0.155 0.000 1.076 196 F HN -0.093 nan 8.300 nan 0.000 0.574 197 K N 1.897 122.469 120.400 0.286 0.000 2.228 197 K HA 0.113 4.433 4.320 -0.000 0.000 0.202 197 K C 0.040 176.738 176.600 0.164 0.000 1.051 197 K CA 0.608 56.935 56.287 0.066 0.000 0.960 197 K CB 0.037 32.451 32.500 -0.144 0.000 0.743 197 K HN 0.284 nan 8.250 nan 0.000 0.458 198 V N 1.567 121.562 119.914 0.136 0.000 2.686 198 V HA 0.434 4.554 4.120 -0.000 0.000 0.306 198 V C -0.746 175.395 176.094 0.079 0.000 1.065 198 V CA -0.784 61.565 62.300 0.082 0.000 0.894 198 V CB 2.430 34.231 31.823 -0.038 0.000 1.004 198 V HN -0.041 nan 8.190 nan 0.000 0.424 199 I N 5.280 125.880 120.570 0.050 0.000 2.497 199 I HA 0.543 4.713 4.170 -0.000 0.000 0.284 199 I C -0.728 175.358 176.117 -0.052 0.000 1.060 199 I CA -0.128 61.176 61.300 0.007 0.000 1.071 199 I CB 1.736 39.694 38.000 -0.070 0.000 1.216 199 I HN 0.430 nan 8.210 nan 0.000 0.442 200 M N 4.612 124.215 119.600 0.005 0.000 2.386 200 M HA 0.783 5.263 4.480 -0.000 0.000 0.293 200 M C 0.023 176.386 176.300 0.105 0.000 1.120 200 M CA -0.427 54.903 55.300 0.051 0.000 0.909 200 M CB 2.716 35.406 32.600 0.150 0.000 1.661 200 M HN 0.807 nan 8.290 nan 0.000 0.452 201 G N 1.240 110.119 108.800 0.131 0.000 2.455 201 G HA2 0.470 4.430 3.960 -0.000 0.000 0.223 201 G HA3 0.470 4.430 3.960 -0.000 0.000 0.223 201 G C -1.184 173.809 174.900 0.155 0.000 1.226 201 G CA -0.124 45.084 45.100 0.180 0.000 0.948 201 G HN 0.937 nan 8.290 nan 0.000 0.478 202 G N -2.355 106.539 108.800 0.156 0.000 3.107 202 G HA2 0.684 4.644 3.960 -0.000 0.000 0.232 202 G HA3 0.684 4.644 3.960 -0.000 0.000 0.232 202 G C 0.912 175.871 174.900 0.099 0.000 1.339 202 G CA 0.586 45.767 45.100 0.135 0.000 1.033 202 G HN 2.398 nan 8.290 nan 0.000 0.567 203 G N -1.133 107.703 108.800 0.059 0.000 2.130 203 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 203 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 203 G C 1.168 176.141 174.900 0.121 0.000 0.999 203 G CA 0.696 45.819 45.100 0.039 0.000 0.686 203 G HN 0.652 nan 8.290 nan 0.000 0.515 204 R N 0.231 120.784 120.500 0.089 0.000 2.117 204 R HA -0.189 4.151 4.340 -0.000 0.000 0.243 204 R C 2.827 179.237 176.300 0.184 0.000 1.143 204 R CA 1.858 58.099 56.100 0.234 0.000 0.968 204 R CB -0.386 30.095 30.300 0.302 0.000 0.863 204 R HN 0.741 nan 8.270 nan 0.000 0.444 205 R N 0.149 120.434 120.500 -0.358 0.000 2.170 205 R HA -0.111 4.229 4.340 -0.000 0.000 0.242 205 R C 1.870 177.769 176.300 -0.668 0.000 1.145 205 R CA 1.816 57.388 56.100 -0.881 0.000 0.984 205 R CB -0.638 28.795 30.300 -1.445 0.000 0.869 205 R HN 0.217 nan 8.270 nan 0.000 0.455 206 G N -0.699 107.879 108.800 -0.370 0.000 2.985 206 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.209 206 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.209 206 G C 0.465 175.013 174.900 -0.586 0.000 1.165 206 G CA -0.236 44.582 45.100 -0.470 0.000 0.776 206 G HN 0.332 nan 8.290 nan 0.000 0.541 207 F N -0.081 119.725 119.950 -0.240 0.000 2.678 207 F HA 0.405 4.932 4.527 -0.000 0.000 0.305 207 F C 0.146 175.955 175.800 0.016 0.000 1.090 207 F CA -0.979 56.967 58.000 -0.091 0.000 1.272 207 F CB 0.309 39.288 39.000 -0.036 0.000 1.060 207 F HN 0.117 nan 8.300 nan 0.000 0.576 208 F N -2.206 117.714 119.950 -0.051 0.000 2.662 208 F HA 0.811 5.338 4.527 -0.000 0.000 0.312 208 F C -3.362 172.327 175.800 -0.184 0.000 1.113 208 F CA -3.463 54.426 58.000 -0.186 0.000 0.951 208 F CB 0.487 39.394 39.000 -0.156 0.000 1.344 208 F HN -0.390 nan 8.300 nan 0.000 0.462 209 P HA 0.277 nan 4.420 nan 0.000 0.276 209 P C -0.038 177.244 177.300 -0.031 0.000 1.261 209 P CA -0.160 62.858 63.100 -0.136 0.000 0.800 209 P CB 0.936 32.573 31.700 -0.106 0.000 1.066 210 E N -0.044 120.133 120.200 -0.038 0.000 2.160 210 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 210 E C 1.174 177.814 176.600 0.066 0.000 0.991 210 E CA 1.384 57.791 56.400 0.012 0.000 0.810 210 E CB -0.231 29.465 29.700 -0.006 0.000 0.742 210 E HN 0.514 nan 8.360 nan 0.000 0.466 211 E N 0.285 120.526 120.200 0.069 0.000 2.358 211 E HA 0.039 4.389 4.350 -0.000 0.000 0.195 211 E C 0.090 176.765 176.600 0.125 0.000 1.010 211 E CA 0.491 56.943 56.400 0.085 0.000 0.856 211 E CB 0.285 30.035 29.700 0.083 0.000 0.795 211 E HN 0.194 nan 8.360 nan 0.000 0.504 212 A N 0.241 123.173 122.820 0.188 0.000 2.311 212 A HA 0.695 5.015 4.320 -0.000 0.000 0.334 212 A C -0.761 176.969 177.584 0.243 0.000 1.139 212 A CA -0.650 51.517 52.037 0.216 0.000 0.830 212 A CB 0.822 19.985 19.000 0.272 0.000 1.234 212 A HN 0.124 nan 8.150 nan 0.000 0.483 213 L N 0.485 121.742 121.223 0.057 0.000 2.342 213 L HA 0.378 4.718 4.340 -0.000 0.000 0.271 213 L C -0.481 176.260 176.870 -0.216 0.000 1.008 213 L CA -0.897 53.963 54.840 0.034 0.000 0.818 213 L CB 1.905 43.965 42.059 0.002 0.000 1.296 213 L HN 0.842 nan 8.230 nan 0.000 0.427 214 D N 1.713 122.075 120.400 -0.064 0.000 2.424 214 D HA 0.205 4.845 4.640 -0.000 0.000 0.244 214 D C -0.013 176.168 176.300 -0.198 0.000 1.134 214 D CA -0.134 53.789 54.000 -0.129 0.000 0.881 214 D CB 0.744 41.688 40.800 0.240 0.000 1.191 214 D HN 0.202 nan 8.370 nan 0.000 0.445 215 I N 3.311 123.690 120.570 -0.317 0.000 2.754 215 I HA -0.002 4.168 4.170 -0.000 0.000 0.285 215 I C 1.392 177.392 176.117 -0.196 0.000 1.166 215 I CA 0.082 61.157 61.300 -0.374 0.000 1.417 215 I CB 0.395 37.926 38.000 -0.782 0.000 1.382 215 I HN 0.753 nan 8.210 nan 0.000 0.588 216 E N 2.077 122.206 120.200 -0.119 0.000 4.143 216 E HA -0.232 4.118 4.350 -0.000 0.000 0.169 216 E C 0.557 177.158 176.600 0.002 0.000 1.110 216 E CA 1.627 58.029 56.400 0.004 0.000 2.567 216 E CB -0.936 28.808 29.700 0.073 0.000 1.671 216 E HN 0.809 nan 8.360 nan 0.000 0.528 217 D N -0.322 120.073 120.400 -0.008 0.000 2.388 217 D HA 0.179 4.819 4.640 -0.000 0.000 0.208 217 D C 1.309 177.580 176.300 -0.049 0.000 1.035 217 D CA 1.234 55.217 54.000 -0.029 0.000 0.875 217 D CB 0.703 41.467 40.800 -0.061 0.000 0.984 217 D HN 0.505 nan 8.370 nan 0.000 0.508 218 G N 1.822 110.595 108.800 -0.045 0.000 2.179 218 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.257 218 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.257 218 G C 0.272 175.155 174.900 -0.029 0.000 1.010 218 G CA 0.043 45.121 45.100 -0.037 0.000 0.736 218 G HN 0.346 nan 8.290 nan 0.000 0.513 219 I N 1.117 121.650 120.570 -0.061 0.000 2.441 219 I HA 0.240 4.410 4.170 -0.000 0.000 0.287 219 I C -1.697 174.481 176.117 0.103 0.000 1.049 219 I CA -2.306 58.915 61.300 -0.132 0.000 1.381 219 I CB 0.984 38.619 38.000 -0.609 0.000 1.409 219 I HN -0.134 nan 8.210 nan 0.000 0.523 220 P HA -0.007 nan 4.420 nan 0.000 0.265 220 P C 0.292 177.753 177.300 0.269 0.000 1.193 220 P CA 0.063 63.281 63.100 0.197 0.000 0.765 220 P CB 0.434 32.188 31.700 0.089 0.000 0.823 221 G N 2.288 111.231 108.800 0.238 0.000 2.716 221 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.251 221 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.251 221 G C 0.447 175.178 174.900 -0.281 0.000 1.224 221 G CA -0.280 44.511 45.100 -0.515 0.000 0.891 221 G HN 0.508 nan 8.290 nan 0.000 0.561 222 E N -0.619 119.336 120.200 -0.409 0.000 2.460 222 E HA 0.029 4.379 4.350 -0.000 0.000 0.200 222 E C 0.764 177.233 176.600 -0.218 0.000 1.011 222 E CA -0.191 56.066 56.400 -0.239 0.000 0.912 222 E CB 0.442 29.995 29.700 -0.245 0.000 0.953 222 E HN 0.328 nan 8.360 nan 0.000 0.494 223 R N 1.138 121.477 120.500 -0.269 0.000 2.543 223 R HA 0.093 4.433 4.340 -0.000 0.000 0.277 223 R C 0.537 176.763 176.300 -0.123 0.000 1.074 223 R CA 0.467 56.451 56.100 -0.193 0.000 1.076 223 R CB 0.497 30.676 30.300 -0.201 0.000 0.993 223 R HN 0.139 nan 8.270 nan 0.000 0.459 224 E N 0.855 121.000 120.200 -0.093 0.000 2.583 224 E HA -0.028 4.322 4.350 -0.000 0.000 0.213 224 E C -0.373 176.199 176.600 -0.047 0.000 0.989 224 E CA 0.063 56.426 56.400 -0.061 0.000 0.991 224 E CB 0.556 30.223 29.700 -0.055 0.000 1.040 224 E HN 0.561 nan 8.360 nan 0.000 0.481 225 D N -0.738 119.633 120.400 -0.048 0.000 2.462 225 D HA 0.106 4.746 4.640 -0.000 0.000 0.221 225 D C 1.251 177.550 176.300 -0.001 0.000 1.173 225 D CA 0.111 54.095 54.000 -0.026 0.000 0.831 225 D CB 0.215 40.999 40.800 -0.027 0.000 1.001 225 D HN 0.110 nan 8.370 nan 0.000 0.499 226 G N 0.762 109.560 108.800 -0.003 0.000 2.186 226 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.266 226 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.266 226 G C 0.184 175.127 174.900 0.072 0.000 0.982 226 G CA 0.512 45.634 45.100 0.037 0.000 0.670 226 G HN 0.468 nan 8.290 nan 0.000 0.533 227 K N 0.111 120.532 120.400 0.035 0.000 2.218 227 K HA 0.420 4.740 4.320 -0.000 0.000 0.276 227 K C -0.520 176.096 176.600 0.027 0.000 1.022 227 K CA -0.445 55.906 56.287 0.108 0.000 0.946 227 K CB 0.483 33.060 32.500 0.129 0.000 1.000 227 K HN 0.375 nan 8.250 nan 0.000 0.468 228 H N 2.782 121.921 119.070 0.115 0.000 2.643 228 H HA 0.140 4.696 4.556 -0.000 0.000 0.259 228 H C 0.691 176.084 175.328 0.109 0.000 1.298 228 H CA -0.181 55.940 56.048 0.122 0.000 1.301 228 H CB 0.151 29.961 29.762 0.080 0.000 1.422 228 H HN 0.429 nan 8.280 nan 0.000 0.521 229 L N 1.562 122.896 121.223 0.185 0.000 2.217 229 L HA -0.112 4.228 4.340 -0.000 0.000 0.211 229 L C 1.432 178.365 176.870 0.106 0.000 1.107 229 L CA 0.470 55.390 54.840 0.134 0.000 0.783 229 L CB -0.169 41.977 42.059 0.146 0.000 0.919 229 L HN 0.597 nan 8.230 nan 0.000 0.442 230 I N 0.274 120.869 120.570 0.043 0.000 2.202 230 I HA -0.223 3.947 4.170 -0.000 0.000 0.242 230 I C 2.794 178.902 176.117 -0.015 0.000 1.091 230 I CA 2.118 63.320 61.300 -0.163 0.000 1.368 230 I CB -1.671 36.037 38.000 -0.487 0.000 1.058 230 I HN 0.388 nan 8.210 nan 0.000 0.410 231 T N -1.142 113.429 114.554 0.028 0.000 2.788 231 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 231 T C 1.560 176.308 174.700 0.079 0.000 1.044 231 T CA 1.288 63.418 62.100 0.050 0.000 1.139 231 T CB -0.446 68.442 68.868 0.034 0.000 0.867 231 T HN 0.186 nan 8.240 nan 0.000 0.454 232 D N 0.379 120.847 120.400 0.113 0.000 2.104 232 D HA -0.091 4.549 4.640 -0.000 0.000 0.194 232 D C 1.506 177.851 176.300 0.075 0.000 0.994 232 D CA 0.997 55.070 54.000 0.121 0.000 0.830 232 D CB -0.590 40.319 40.800 0.181 0.000 0.959 232 D HN 0.608 nan 8.370 nan 0.000 0.452 233 W N 1.535 122.768 121.300 -0.112 0.000 2.333 233 W HA -0.160 4.500 4.660 -0.000 0.000 0.316 233 W C 2.167 178.609 176.519 -0.128 0.000 1.215 233 W CA 1.309 58.564 57.345 -0.150 0.000 1.278 233 W CB -0.481 28.867 29.460 -0.187 0.000 1.154 233 W HN -0.082 nan 8.180 nan 0.000 0.486 234 L N 0.226 121.506 121.223 0.095 0.000 1.994 234 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 234 L C 2.341 179.122 176.870 -0.149 0.000 1.071 234 L CA 1.807 56.614 54.840 -0.056 0.000 0.745 234 L CB -1.097 41.023 42.059 0.102 0.000 0.892 234 L HN -0.097 nan 8.230 nan 0.000 0.431 235 D N -0.100 120.259 120.400 -0.067 0.000 2.133 235 D HA -0.252 4.388 4.640 -0.000 0.000 0.195 235 D C 1.725 177.950 176.300 -0.125 0.000 0.997 235 D CA 1.726 55.686 54.000 -0.068 0.000 0.840 235 D CB -0.320 40.468 40.800 -0.020 0.000 0.947 235 D HN 0.370 nan 8.370 nan 0.000 0.452 236 D N 0.080 120.379 120.400 -0.169 0.000 2.104 236 D HA -0.164 4.476 4.640 -0.000 0.000 0.194 236 D C 1.778 177.883 176.300 -0.325 0.000 0.994 236 D CA 1.371 55.243 54.000 -0.214 0.000 0.830 236 D CB 0.246 40.914 40.800 -0.220 0.000 0.959 236 D HN -0.111 nan 8.370 nan 0.000 0.452 237 K N 0.551 120.637 120.400 -0.523 0.000 2.026 237 K HA -0.055 4.265 4.320 -0.000 0.000 0.208 237 K C 2.202 178.633 176.600 -0.281 0.000 1.048 237 K CA 1.181 57.124 56.287 -0.574 0.000 0.929 237 K CB -0.990 31.018 32.500 -0.819 0.000 0.713 237 K HN 0.259 nan 8.250 nan 0.000 0.439 238 A N 1.928 124.624 122.820 -0.205 0.000 1.883 238 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 238 A C 2.420 179.953 177.584 -0.084 0.000 1.186 238 A CA 2.740 54.714 52.037 -0.105 0.000 0.624 238 A CB -0.864 18.092 19.000 -0.073 0.000 0.822 238 A HN 0.476 nan 8.150 nan 0.000 0.444 239 S N -0.424 115.220 115.700 -0.094 0.000 2.419 239 S HA -0.214 4.256 4.470 -0.000 0.000 0.233 239 S C 1.671 176.235 174.600 -0.061 0.000 1.016 239 S CA 1.396 59.557 58.200 -0.065 0.000 0.974 239 S CB -0.550 62.614 63.200 -0.060 0.000 0.786 239 S HN 0.694 nan 8.310 nan 0.000 0.492 240 Q N 0.567 120.316 119.800 -0.086 0.000 2.482 240 Q HA 0.255 4.595 4.340 -0.000 0.000 0.209 240 Q C 1.404 177.390 176.000 -0.023 0.000 0.961 240 Q CA 0.310 56.079 55.803 -0.056 0.000 0.945 240 Q CB -0.228 28.464 28.738 -0.076 0.000 1.012 240 Q HN 0.827 nan 8.270 nan 0.000 0.515 241 G N 0.298 109.082 108.800 -0.026 0.000 2.159 241 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.256 241 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.256 241 G C 0.152 175.060 174.900 0.015 0.000 0.977 241 G CA 0.070 45.167 45.100 -0.004 0.000 0.652 241 G HN 0.530 nan 8.290 nan 0.000 0.531 242 A N -0.137 122.694 122.820 0.018 0.000 2.269 242 A HA 0.906 5.226 4.320 -0.000 0.000 0.319 242 A C 0.671 178.293 177.584 0.063 0.000 1.110 242 A CA 0.674 52.760 52.037 0.081 0.000 0.847 242 A CB 0.737 19.871 19.000 0.224 0.000 1.161 242 A HN 1.623 nan 8.150 nan 0.000 0.497 243 T N -0.925 113.687 114.554 0.097 0.000 2.799 243 T HA 0.691 5.041 4.350 -0.000 0.000 0.286 243 T C -0.248 174.531 174.700 0.131 0.000 0.973 243 T CA 0.095 62.244 62.100 0.081 0.000 1.035 243 T CB 1.201 70.107 68.868 0.064 0.000 0.932 243 T HN 1.599 nan 8.240 nan 0.000 0.469 244 A N 2.283 125.165 122.820 0.102 0.000 2.414 244 A HA 0.823 5.143 4.320 -0.000 0.000 0.306 244 A C -0.176 177.544 177.584 0.227 0.000 1.054 244 A CA -0.905 51.229 52.037 0.161 0.000 0.724 244 A CB 1.905 20.867 19.000 -0.063 0.000 1.267 244 A HN 1.173 nan 8.150 nan 0.000 0.418 245 S N 0.959 116.860 115.700 0.335 0.000 2.557 245 S HA 0.621 5.091 4.470 -0.000 0.000 0.291 245 S C -1.680 173.150 174.600 0.384 0.000 1.116 245 S CA -0.366 58.010 58.200 0.293 0.000 0.992 245 S CB 1.150 64.448 63.200 0.163 0.000 1.028 245 S HN 1.166 nan 8.310 nan 0.000 0.484 246 Y N 5.714 126.138 120.300 0.207 0.000 2.328 246 Y HA 0.638 5.188 4.550 -0.000 0.000 0.337 246 Y C -0.563 175.418 175.900 0.136 0.000 0.966 246 Y CA -0.867 57.317 58.100 0.140 0.000 1.136 246 Y CB 1.214 39.788 38.460 0.190 0.000 1.170 246 Y HN 0.727 nan 8.280 nan 0.000 0.470 247 V N 3.317 122.956 119.914 -0.460 0.000 3.001 247 V HA 0.619 4.739 4.120 -0.000 0.000 0.314 247 V C -1.136 174.579 176.094 -0.631 0.000 1.099 247 V CA -0.928 61.010 62.300 -0.603 0.000 0.989 247 V CB 1.905 33.519 31.823 -0.350 0.000 1.040 247 V HN 0.944 nan 8.190 nan 0.000 0.434 248 W N 2.216 123.241 121.300 -0.458 0.000 2.036 248 W HA 0.582 5.241 4.660 -0.000 0.000 0.298 248 W C -0.208 176.381 176.519 0.117 0.000 0.885 248 W CA 0.142 57.261 57.345 -0.377 0.000 1.488 248 W CB -0.462 28.789 29.460 -0.349 0.000 1.079 248 W HN 0.879 nan 8.180 nan 0.000 0.506 249 N N -0.753 117.980 118.700 0.055 0.000 2.732 249 N HA 0.306 5.046 4.740 -0.000 0.000 0.259 249 N C 0.523 176.038 175.510 0.008 0.000 1.402 249 N CA -0.929 52.190 53.050 0.116 0.000 0.829 249 N CB 1.097 39.567 38.487 -0.028 0.000 1.495 249 N HN -0.058 nan 8.380 nan 0.000 0.511 250 R N -0.294 120.138 120.500 -0.113 0.000 2.073 250 R HA -0.127 4.213 4.340 -0.000 0.000 0.234 250 R C 0.228 176.451 176.300 -0.128 0.000 1.134 250 R CA 1.898 57.891 56.100 -0.180 0.000 0.952 250 R CB -0.458 29.737 30.300 -0.175 0.000 0.850 250 R HN 0.655 nan 8.270 nan 0.000 0.433 251 D N 0.744 121.077 120.400 -0.111 0.000 2.106 251 D HA -0.179 4.461 4.640 -0.000 0.000 0.191 251 D C 1.547 177.774 176.300 -0.122 0.000 0.997 251 D CA 1.530 55.469 54.000 -0.102 0.000 0.834 251 D CB -0.454 40.291 40.800 -0.092 0.000 0.956 251 D HN 0.303 nan 8.370 nan 0.000 0.448 252 D N 0.207 120.499 120.400 -0.180 0.000 2.117 252 D HA -0.123 4.517 4.640 -0.000 0.000 0.197 252 D C 2.206 178.422 176.300 -0.139 0.000 0.987 252 D CA 0.255 54.124 54.000 -0.218 0.000 0.829 252 D CB -0.466 40.075 40.800 -0.432 0.000 0.961 252 D HN 0.131 nan 8.370 nan 0.000 0.460 253 L N 0.774 121.947 121.223 -0.082 0.000 2.012 253 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 253 L C 2.080 178.923 176.870 -0.045 0.000 1.073 253 L CA 1.561 56.391 54.840 -0.016 0.000 0.748 253 L CB -0.591 41.480 42.059 0.020 0.000 0.891 253 L HN 0.028 nan 8.230 nan 0.000 0.431 254 L N -0.582 120.600 121.223 -0.067 0.000 2.362 254 L HA -0.088 4.252 4.340 -0.000 0.000 0.219 254 L C 2.315 179.155 176.870 -0.050 0.000 1.134 254 L CA 0.801 55.606 54.840 -0.058 0.000 0.807 254 L CB -0.812 41.208 42.059 -0.065 0.000 0.927 254 L HN 0.426 nan 8.230 nan 0.000 0.447 255 A N -0.611 122.174 122.820 -0.057 0.000 2.238 255 A HA 0.171 4.491 4.320 -0.000 0.000 0.210 255 A C 0.965 178.525 177.584 -0.040 0.000 1.179 255 A CA -0.151 51.855 52.037 -0.050 0.000 0.827 255 A CB -0.078 18.884 19.000 -0.064 0.000 0.856 255 A HN 0.081 nan 8.150 nan 0.000 0.488 256 V N 1.874 121.767 119.914 -0.036 0.000 2.673 256 V HA 0.006 4.126 4.120 -0.000 0.000 0.303 256 V C 0.213 176.300 176.094 -0.012 0.000 1.046 256 V CA -0.099 62.190 62.300 -0.019 0.000 1.126 256 V CB 0.831 32.651 31.823 -0.005 0.000 0.934 256 V HN 0.458 nan 8.190 nan 0.000 0.487 257 D N 4.505 124.903 120.400 -0.004 0.000 2.374 257 D HA 0.126 4.766 4.640 -0.000 0.000 0.240 257 D C 0.977 177.275 176.300 -0.002 0.000 1.229 257 D CA -0.333 53.665 54.000 -0.003 0.000 0.895 257 D CB 0.689 41.490 40.800 0.002 0.000 1.046 257 D HN 0.268 nan 8.370 nan 0.000 0.498 258 I N 4.109 124.673 120.570 -0.010 0.000 2.179 258 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 258 I C 2.775 178.882 176.117 -0.016 0.000 1.088 258 I CA 1.292 62.582 61.300 -0.017 0.000 1.357 258 I CB -1.542 36.445 38.000 -0.023 0.000 1.051 258 I HN 0.508 nan 8.210 nan 0.000 0.409 259 R N 1.150 121.643 120.500 -0.011 0.000 2.120 259 R HA -0.101 4.239 4.340 -0.000 0.000 0.234 259 R C 1.598 177.896 176.300 -0.005 0.000 1.123 259 R CA 1.724 57.819 56.100 -0.009 0.000 0.975 259 R CB -1.377 28.921 30.300 -0.004 0.000 0.866 259 R HN 0.533 nan 8.270 nan 0.000 0.446 260 N N -0.304 118.396 118.700 0.001 0.000 2.203 260 N HA 0.037 4.777 4.740 -0.000 0.000 0.207 260 N C -0.626 174.893 175.510 0.016 0.000 1.130 260 N CA 0.242 53.297 53.050 0.008 0.000 0.861 260 N CB 1.170 39.664 38.487 0.012 0.000 1.005 260 N HN 0.327 nan 8.380 nan 0.000 0.507 261 T N 0.928 115.488 114.554 0.011 0.000 2.756 261 T HA 0.216 4.566 4.350 -0.000 0.000 0.290 261 T C 0.588 175.286 174.700 -0.003 0.000 0.985 261 T CA -0.509 61.608 62.100 0.027 0.000 0.955 261 T CB 1.887 70.777 68.868 0.036 0.000 0.930 261 T HN 0.000 nan 8.240 nan 0.000 0.451 262 D N 1.750 122.157 120.400 0.011 0.000 2.201 262 D HA 0.032 4.672 4.640 -0.000 0.000 0.209 262 D C -0.132 175.968 176.300 -0.333 0.000 0.961 262 D CA 1.253 55.176 54.000 -0.128 0.000 0.861 262 D CB 0.364 41.147 40.800 -0.028 0.000 0.997 262 D HN 0.494 nan 8.370 nan 0.000 0.486 263 Y N -0.173 120.172 120.300 0.074 0.000 2.425 263 Y HA 0.463 5.013 4.550 -0.000 0.000 0.344 263 Y C -0.566 175.533 175.900 0.331 0.000 0.969 263 Y CA -1.142 57.067 58.100 0.183 0.000 1.052 263 Y CB 2.168 40.654 38.460 0.043 0.000 1.215 263 Y HN -0.239 nan 8.280 nan 0.000 0.451 264 L N 5.113 126.630 121.223 0.491 0.000 2.406 264 L HA 0.698 5.038 4.340 -0.000 0.000 0.272 264 L C -1.427 175.551 176.870 0.180 0.000 0.980 264 L CA -0.945 54.090 54.840 0.325 0.000 0.831 264 L CB 1.715 43.860 42.059 0.144 0.000 1.253 264 L HN 0.735 nan 8.230 nan 0.000 0.406 265 M N 4.743 124.332 119.600 -0.019 0.000 2.134 265 M HA 0.808 5.288 4.480 -0.000 0.000 0.310 265 M C -0.635 175.558 176.300 -0.178 0.000 0.966 265 M CA -0.041 55.042 55.300 -0.361 0.000 0.922 265 M CB 1.664 33.610 32.600 -1.091 0.000 1.537 265 M HN 0.693 nan 8.290 nan 0.000 0.424 266 G N 6.505 115.143 108.800 -0.270 0.000 2.660 266 G HA2 0.635 4.595 3.960 -0.000 0.000 0.305 266 G HA3 0.635 4.595 3.960 -0.000 0.000 0.305 266 G C -1.539 172.838 174.900 -0.872 0.000 1.329 266 G CA -0.564 44.186 45.100 -0.582 0.000 1.000 266 G HN 0.731 nan 8.290 nan 0.000 0.514 267 L N 2.715 123.447 121.223 -0.818 0.000 2.318 267 L HA 0.394 4.734 4.340 -0.000 0.000 0.277 267 L C -0.080 176.484 176.870 -0.510 0.000 1.008 267 L CA -0.797 53.731 54.840 -0.520 0.000 0.846 267 L CB 1.377 43.330 42.059 -0.175 0.000 1.220 267 L HN 0.478 nan 8.230 nan 0.000 0.423 268 F N 0.226 120.221 119.950 0.074 0.000 2.727 268 F HA 0.217 4.744 4.527 -0.000 0.000 0.302 268 F C 1.143 177.016 175.800 0.122 0.000 1.097 268 F CA -0.042 58.013 58.000 0.091 0.000 1.330 268 F CB 0.536 39.566 39.000 0.050 0.000 1.084 268 F HN 0.443 nan 8.300 nan 0.000 0.578 269 S N -2.158 113.673 115.700 0.219 0.000 2.588 269 S HA 0.224 4.694 4.470 -0.000 0.000 0.269 269 S C 0.109 174.837 174.600 0.213 0.000 1.157 269 S CA -0.564 57.769 58.200 0.222 0.000 0.824 269 S CB 0.366 63.695 63.200 0.215 0.000 1.126 269 S HN 0.112 nan 8.310 nan 0.000 0.464 270 Y N 2.383 122.750 120.300 0.111 0.000 2.200 270 Y HA 0.120 4.670 4.550 -0.000 0.000 0.290 270 Y C 1.659 177.596 175.900 0.061 0.000 1.137 270 Y CA 2.611 60.779 58.100 0.113 0.000 1.163 270 Y CB -0.195 38.323 38.460 0.097 0.000 0.988 270 Y HN 0.739 nan 8.280 nan 0.000 0.518 271 T N -1.893 112.720 114.554 0.097 0.000 2.412 271 T HA 0.270 4.620 4.350 -0.000 0.000 0.202 271 T C -0.835 173.839 174.700 -0.043 0.000 0.848 271 T CA -0.431 61.614 62.100 -0.091 0.000 1.196 271 T CB -0.241 68.594 68.868 -0.054 0.000 2.323 271 T HN 0.182 nan 8.240 nan 0.000 0.482 272 H N 0.827 119.952 119.070 0.092 0.000 2.707 272 H HA 0.392 4.948 4.556 -0.000 0.000 0.359 272 H C 0.065 175.466 175.328 0.122 0.000 1.113 272 H CA -0.590 55.522 56.048 0.107 0.000 1.422 272 H CB 0.335 30.159 29.762 0.104 0.000 1.443 272 H HN 0.274 nan 8.280 nan 0.000 0.591 273 L N 2.235 123.615 121.223 0.262 0.000 2.483 273 L HA -0.038 4.302 4.340 -0.000 0.000 0.276 273 L C 0.368 177.337 176.870 0.165 0.000 1.213 273 L CA -0.156 54.803 54.840 0.197 0.000 0.843 273 L CB 0.180 42.341 42.059 0.170 0.000 1.107 273 L HN 0.629 nan 8.230 nan 0.000 0.487 274 D N 0.970 121.448 120.400 0.131 0.000 2.506 274 D HA 0.032 4.672 4.640 -0.000 0.000 0.234 274 D C 0.507 176.853 176.300 0.077 0.000 1.143 274 D CA 0.144 54.205 54.000 0.100 0.000 0.871 274 D CB 0.674 41.521 40.800 0.080 0.000 1.190 274 D HN 0.612 nan 8.370 nan 0.000 0.459 275 T N -1.630 112.963 114.554 0.066 0.000 2.903 275 T HA 0.048 4.398 4.350 -0.000 0.000 0.314 275 T C 1.762 176.480 174.700 0.030 0.000 1.078 275 T CA -0.923 61.202 62.100 0.041 0.000 1.114 275 T CB 0.581 69.470 68.868 0.034 0.000 0.987 275 T HN 0.119 nan 8.240 nan 0.000 0.548 276 V N 2.329 122.252 119.914 0.016 0.000 2.250 276 V HA -0.208 3.912 4.120 -0.000 0.000 0.253 276 V C 2.577 178.684 176.094 0.021 0.000 1.065 276 V CA 2.018 64.326 62.300 0.014 0.000 1.039 276 V CB -0.932 30.898 31.823 0.010 0.000 0.647 276 V HN 0.831 nan 8.190 nan 0.000 0.446 277 L N 0.269 121.507 121.223 0.026 0.000 2.552 277 L HA -0.030 4.310 4.340 -0.000 0.000 0.227 277 L C 2.122 179.012 176.870 0.033 0.000 1.146 277 L CA 1.474 56.334 54.840 0.033 0.000 0.858 277 L CB -0.625 41.458 42.059 0.040 0.000 0.969 277 L HN 0.650 nan 8.230 nan 0.000 0.451 278 T N -3.740 110.834 114.554 0.033 0.000 2.975 278 T HA 0.082 4.432 4.350 -0.000 0.000 0.257 278 T C 0.937 175.658 174.700 0.035 0.000 1.003 278 T CA -0.620 61.501 62.100 0.036 0.000 0.932 278 T CB 0.082 68.975 68.868 0.042 0.000 1.087 278 T HN 0.274 nan 8.240 nan 0.000 0.512 279 R N 1.485 122.004 120.500 0.032 0.000 2.594 279 R HA 0.308 4.648 4.340 -0.000 0.000 0.272 279 R C -0.658 175.655 176.300 0.021 0.000 1.074 279 R CA -0.552 55.566 56.100 0.031 0.000 1.105 279 R CB 0.147 30.462 30.300 0.024 0.000 1.008 279 R HN -0.025 nan 8.270 nan 0.000 0.472 280 D N 2.092 122.507 120.400 0.024 0.000 2.352 280 D HA 0.085 4.725 4.640 -0.000 0.000 0.245 280 D C 0.707 177.007 176.300 0.001 0.000 1.224 280 D CA 0.035 54.044 54.000 0.016 0.000 0.879 280 D CB 1.365 42.180 40.800 0.025 0.000 1.057 280 D HN 0.662 nan 8.370 nan 0.000 0.491 281 A N 4.154 126.969 122.820 -0.008 0.000 2.125 281 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 281 A C 1.882 179.446 177.584 -0.033 0.000 1.156 281 A CA 0.976 52.998 52.037 -0.024 0.000 0.671 281 A CB -0.176 18.811 19.000 -0.022 0.000 0.794 281 A HN 0.703 nan 8.150 nan 0.000 0.459 282 E N -1.202 118.985 120.200 -0.021 0.000 2.112 282 E HA -0.071 4.279 4.350 -0.000 0.000 0.190 282 E C 1.596 178.179 176.600 -0.028 0.000 0.979 282 E CA 0.888 57.274 56.400 -0.024 0.000 0.814 282 E CB -0.024 29.670 29.700 -0.010 0.000 0.762 282 E HN 0.497 nan 8.360 nan 0.000 0.460 283 M N 0.439 120.032 119.600 -0.012 0.000 2.534 283 M HA 0.121 4.601 4.480 -0.000 0.000 0.263 283 M C -0.173 176.116 176.300 -0.018 0.000 1.152 283 M CA 0.643 55.947 55.300 0.007 0.000 1.145 283 M CB -0.106 32.523 32.600 0.048 0.000 1.333 283 M HN -0.195 nan 8.290 nan 0.000 0.477 284 D N 1.771 122.139 120.400 -0.053 0.000 2.217 284 D HA 0.415 5.055 4.640 -0.000 0.000 0.243 284 D C -2.294 173.872 176.300 -0.224 0.000 1.054 284 D CA -1.460 52.464 54.000 -0.128 0.000 0.838 284 D CB 1.714 42.485 40.800 -0.048 0.000 1.162 284 D HN 0.019 nan 8.370 nan 0.000 0.472 285 P HA 0.133 nan 4.420 nan 0.000 0.277 285 P C 0.047 177.202 177.300 -0.242 0.000 1.240 285 P CA -0.437 62.439 63.100 -0.374 0.000 0.798 285 P CB 0.605 31.943 31.700 -0.603 0.000 0.979 286 T N -0.619 113.847 114.554 -0.147 0.000 2.824 286 T HA 0.161 4.511 4.350 -0.000 0.000 0.277 286 T C 1.264 175.927 174.700 -0.062 0.000 0.975 286 T CA -0.591 61.460 62.100 -0.082 0.000 0.966 286 T CB 0.215 69.052 68.868 -0.052 0.000 1.054 286 T HN 0.124 nan 8.240 nan 0.000 0.533 287 L N 1.549 122.762 121.223 -0.016 0.000 2.046 287 L HA 0.139 4.479 4.340 -0.000 0.000 0.208 287 L C -0.839 176.053 176.870 0.036 0.000 1.077 287 L CA 1.739 56.592 54.840 0.021 0.000 0.747 287 L CB -1.374 40.719 42.059 0.056 0.000 0.896 287 L HN 0.565 nan 8.230 nan 0.000 0.432 288 P HA -0.169 nan 4.420 nan 0.000 0.216 288 P C 1.287 178.593 177.300 0.010 0.000 1.150 288 P CA 1.459 64.582 63.100 0.039 0.000 0.837 288 P CB 0.020 31.731 31.700 0.018 0.000 0.786 289 E N -0.960 119.224 120.200 -0.026 0.000 2.072 289 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 289 E C 2.031 178.600 176.600 -0.053 0.000 0.985 289 E CA 1.171 57.540 56.400 -0.052 0.000 0.801 289 E CB -0.472 29.172 29.700 -0.092 0.000 0.750 289 E HN 0.235 nan 8.360 nan 0.000 0.452 290 M N 0.152 119.718 119.600 -0.056 0.000 2.175 290 M HA -0.123 4.357 4.480 -0.000 0.000 0.264 290 M C 2.320 178.613 176.300 -0.011 0.000 1.063 290 M CA 1.178 56.462 55.300 -0.028 0.000 1.119 290 M CB -0.271 32.328 32.600 -0.002 0.000 1.377 290 M HN 0.074 nan 8.290 nan 0.000 0.415 291 T N 0.580 115.137 114.554 0.005 0.000 2.708 291 T HA -0.174 4.176 4.350 -0.000 0.000 0.266 291 T C 1.773 176.474 174.700 0.002 0.000 1.037 291 T CA 1.474 63.581 62.100 0.013 0.000 1.146 291 T CB -0.189 68.735 68.868 0.094 0.000 0.865 291 T HN 0.377 nan 8.240 nan 0.000 0.435 292 K N 0.777 121.182 120.400 0.008 0.000 2.026 292 K HA -0.097 4.223 4.320 -0.000 0.000 0.208 292 K C 2.216 178.799 176.600 -0.029 0.000 1.048 292 K CA 1.255 57.542 56.287 -0.000 0.000 0.929 292 K CB -0.353 32.145 32.500 -0.003 0.000 0.713 292 K HN 0.139 nan 8.250 nan 0.000 0.439 293 V N 1.542 121.436 119.914 -0.033 0.000 2.332 293 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 293 V C 2.524 178.577 176.094 -0.069 0.000 1.055 293 V CA 1.962 64.238 62.300 -0.041 0.000 1.038 293 V CB -0.869 30.940 31.823 -0.024 0.000 0.651 293 V HN 0.532 nan 8.190 nan 0.000 0.450 294 A N 0.087 122.862 122.820 -0.076 0.000 1.873 294 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 294 A C 2.197 179.647 177.584 -0.225 0.000 1.193 294 A CA 2.299 54.256 52.037 -0.132 0.000 0.629 294 A CB -0.608 18.316 19.000 -0.126 0.000 0.826 294 A HN 0.512 nan 8.150 nan 0.000 0.447 295 I N -0.716 119.744 120.570 -0.182 0.000 2.252 295 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 295 I C 2.514 178.486 176.117 -0.241 0.000 1.102 295 I CA 1.540 62.691 61.300 -0.250 0.000 1.385 295 I CB -0.495 37.474 38.000 -0.052 0.000 1.064 295 I HN 0.444 nan 8.210 nan 0.000 0.414 296 E N 0.406 120.526 120.200 -0.133 0.000 2.070 296 E HA -0.254 4.096 4.350 -0.000 0.000 0.197 296 E C 2.307 178.826 176.600 -0.136 0.000 1.004 296 E CA 1.437 57.776 56.400 -0.101 0.000 0.805 296 E CB -0.068 29.596 29.700 -0.060 0.000 0.744 296 E HN 0.384 nan 8.360 nan 0.000 0.451 297 M N 0.072 119.577 119.600 -0.158 0.000 2.077 297 M HA -0.118 4.362 4.480 -0.000 0.000 0.261 297 M C 2.467 178.629 176.300 -0.229 0.000 1.070 297 M CA 1.344 56.550 55.300 -0.157 0.000 1.125 297 M CB -0.797 31.725 32.600 -0.130 0.000 1.339 297 M HN 0.160 nan 8.290 nan 0.000 0.409 298 L N -0.716 120.268 121.223 -0.397 0.000 2.201 298 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 298 L C 2.493 179.062 176.870 -0.502 0.000 1.105 298 L CA 1.100 55.609 54.840 -0.551 0.000 0.775 298 L CB -0.766 40.691 42.059 -1.002 0.000 0.913 298 L HN 0.361 nan 8.230 nan 0.000 0.440 299 T N -0.648 113.632 114.554 -0.456 0.000 3.072 299 T HA -0.087 4.263 4.350 -0.000 0.000 0.266 299 T C 1.707 176.421 174.700 0.024 0.000 1.127 299 T CA 0.774 62.835 62.100 -0.065 0.000 1.107 299 T CB -0.051 68.819 68.868 0.003 0.000 0.910 299 T HN 0.260 nan 8.240 nan 0.000 0.513 300 K N 0.971 121.349 120.400 -0.037 0.000 2.362 300 K HA -0.031 4.289 4.320 -0.000 0.000 0.200 300 K C 0.632 177.248 176.600 0.027 0.000 1.046 300 K CA 0.448 56.731 56.287 -0.006 0.000 0.952 300 K CB 0.005 32.485 32.500 -0.034 0.000 0.753 300 K HN 0.307 nan 8.250 nan 0.000 0.466 301 D N 1.920 122.353 120.400 0.054 0.000 2.352 301 D HA -0.014 4.626 4.640 -0.000 0.000 0.245 301 D C 0.401 176.774 176.300 0.122 0.000 1.224 301 D CA 0.253 54.308 54.000 0.092 0.000 0.879 301 D CB 0.819 41.697 40.800 0.129 0.000 1.057 301 D HN 0.074 nan 8.370 nan 0.000 0.491 302 E N 2.364 122.615 120.200 0.086 0.000 2.401 302 E HA -0.136 4.214 4.350 -0.000 0.000 0.199 302 E C 0.605 177.256 176.600 0.085 0.000 1.023 302 E CA 0.579 57.028 56.400 0.081 0.000 0.859 302 E CB 0.186 29.920 29.700 0.056 0.000 0.780 302 E HN 0.553 nan 8.360 nan 0.000 0.523 303 N N -0.413 118.343 118.700 0.094 0.000 2.336 303 N HA 0.110 4.850 4.740 -0.000 0.000 0.189 303 N C 0.256 175.837 175.510 0.118 0.000 1.113 303 N CA 0.203 53.304 53.050 0.085 0.000 0.858 303 N CB 1.194 39.721 38.487 0.066 0.000 0.970 303 N HN 0.082 nan 8.380 nan 0.000 0.471 304 G N 0.723 109.635 108.800 0.187 0.000 2.462 304 G HA2 0.071 4.031 3.960 -0.000 0.000 0.685 304 G HA3 0.071 4.031 3.960 -0.000 0.000 0.685 304 G C -1.372 173.773 174.900 0.408 0.000 1.295 304 G CA -0.746 44.494 45.100 0.234 0.000 0.941 304 G HN 0.213 nan 8.290 nan 0.000 0.554 305 F N -2.177 117.944 119.950 0.285 0.000 2.668 305 F HA 0.842 5.369 4.527 -0.000 0.000 0.309 305 F C -1.204 174.616 175.800 0.034 0.000 1.117 305 F CA -1.931 56.192 58.000 0.204 0.000 0.951 305 F CB 1.481 40.512 39.000 0.051 0.000 1.323 305 F HN 0.965 nan 8.300 nan 0.000 0.451 306 F N 3.619 123.427 119.950 -0.237 0.000 2.495 306 F HA 0.840 5.367 4.527 -0.000 0.000 0.327 306 F C -1.959 173.751 175.800 -0.151 0.000 1.103 306 F CA -1.325 56.315 58.000 -0.600 0.000 0.949 306 F CB 1.820 40.069 39.000 -1.252 0.000 1.142 306 F HN 0.725 nan 8.300 nan 0.000 0.457 307 L N 7.399 127.964 121.223 -1.096 0.000 2.436 307 L HA 0.627 4.967 4.340 -0.000 0.000 0.268 307 L C -2.186 173.990 176.870 -1.156 0.000 0.974 307 L CA -0.774 53.543 54.840 -0.872 0.000 0.826 307 L CB 1.793 43.672 42.059 -0.301 0.000 1.291 307 L HN 0.742 nan 8.230 nan 0.000 0.406 308 L N 5.973 126.686 121.223 -0.849 0.000 2.295 308 L HA 0.804 5.144 4.340 -0.000 0.000 0.285 308 L C -1.285 175.381 176.870 -0.339 0.000 1.035 308 L CA -0.176 54.379 54.840 -0.475 0.000 0.806 308 L CB 1.698 43.639 42.059 -0.196 0.000 1.214 308 L HN 0.438 nan 8.230 nan 0.000 0.426 309 V N 4.935 124.626 119.914 -0.372 0.000 2.483 309 V HA 0.484 4.604 4.120 -0.000 0.000 0.297 309 V C -0.489 175.547 176.094 -0.096 0.000 1.027 309 V CA -0.644 61.478 62.300 -0.297 0.000 0.855 309 V CB 1.523 32.988 31.823 -0.598 0.000 0.995 309 V HN 0.822 nan 8.190 nan 0.000 0.424 310 E N 3.258 123.461 120.200 0.005 0.000 2.176 310 E HA 0.585 4.935 4.350 -0.000 0.000 0.267 310 E C 0.158 176.792 176.600 0.057 0.000 0.893 310 E CA -0.661 55.773 56.400 0.057 0.000 0.761 310 E CB 1.816 31.567 29.700 0.085 0.000 1.133 310 E HN 0.833 nan 8.360 nan 0.000 0.409 311 G N 2.870 111.703 108.800 0.055 0.000 2.770 311 G HA2 0.294 4.254 3.960 -0.000 0.000 0.307 311 G HA3 0.294 4.254 3.960 -0.000 0.000 0.307 311 G C 0.573 175.439 174.900 -0.056 0.000 0.863 311 G CA -0.041 45.067 45.100 0.014 0.000 1.595 311 G HN 0.625 nan 8.290 nan 0.000 0.496 312 G N 1.544 110.286 108.800 -0.096 0.000 2.595 312 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.213 312 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.213 312 G C 1.527 176.170 174.900 -0.429 0.000 1.141 312 G CA -0.242 44.730 45.100 -0.213 0.000 0.806 312 G HN 0.537 nan 8.290 nan 0.000 0.530 313 R N 0.025 120.321 120.500 -0.340 0.000 2.310 313 R HA 0.281 4.621 4.340 -0.000 0.000 0.202 313 R C 1.935 178.073 176.300 -0.270 0.000 0.933 313 R CA -0.203 55.668 56.100 -0.382 0.000 1.054 313 R CB -0.111 30.127 30.300 -0.103 0.000 0.985 313 R HN 0.373 nan 8.270 nan 0.000 0.489 314 I N 1.092 121.509 120.570 -0.256 0.000 2.194 314 I HA -0.328 3.842 4.170 -0.000 0.000 0.246 314 I C 2.129 178.040 176.117 -0.343 0.000 1.093 314 I CA 1.641 62.761 61.300 -0.300 0.000 1.355 314 I CB -0.262 37.598 38.000 -0.233 0.000 1.046 314 I HN 0.108 nan 8.210 nan 0.000 0.413 315 D N 0.079 120.346 120.400 -0.221 0.000 2.097 315 D HA -0.221 4.419 4.640 -0.000 0.000 0.195 315 D C 2.224 178.553 176.300 0.049 0.000 0.989 315 D CA 1.556 55.537 54.000 -0.032 0.000 0.827 315 D CB -0.003 40.859 40.800 0.103 0.000 0.966 315 D HN 0.312 nan 8.370 nan 0.000 0.456 316 H N -0.498 118.614 119.070 0.070 0.000 2.352 316 H HA -0.086 4.470 4.556 -0.000 0.000 0.299 316 H C 2.118 177.456 175.328 0.017 0.000 1.097 316 H CA 1.086 57.196 56.048 0.102 0.000 1.311 316 H CB -0.412 29.332 29.762 -0.029 0.000 1.377 316 H HN 0.281 nan 8.280 nan 0.000 0.504 317 M N -0.136 119.479 119.600 0.025 0.000 2.132 317 M HA -0.111 4.369 4.480 -0.000 0.000 0.263 317 M C 2.138 178.398 176.300 -0.067 0.000 1.065 317 M CA 1.264 56.539 55.300 -0.042 0.000 1.122 317 M CB -1.236 31.299 32.600 -0.109 0.000 1.365 317 M HN 0.432 nan 8.290 nan 0.000 0.411 318 H N -1.192 117.719 119.070 -0.264 0.000 2.352 318 H HA -0.163 4.393 4.556 -0.000 0.000 0.299 318 H C 2.124 177.127 175.328 -0.542 0.000 1.097 318 H CA 1.013 56.751 56.048 -0.516 0.000 1.311 318 H CB 0.075 29.155 29.762 -1.135 0.000 1.377 318 H HN 0.420 nan 8.280 nan 0.000 0.504 319 H N -0.202 118.803 119.070 -0.108 0.000 2.422 319 H HA -0.042 4.514 4.556 -0.000 0.000 0.298 319 H C 1.977 177.231 175.328 -0.123 0.000 1.098 319 H CA 1.214 57.278 56.048 0.026 0.000 1.315 319 H CB -0.027 29.817 29.762 0.137 0.000 1.382 319 H HN 0.406 nan 8.280 nan 0.000 0.523 320 A N -0.059 122.742 122.820 -0.033 0.000 2.307 320 A HA 0.046 4.366 4.320 -0.000 0.000 0.218 320 A C 0.805 178.271 177.584 -0.197 0.000 1.228 320 A CA 0.242 52.210 52.037 -0.115 0.000 0.857 320 A CB -0.399 18.560 19.000 -0.068 0.000 0.897 320 A HN 0.608 nan 8.150 nan 0.000 0.495 321 N N -0.888 117.603 118.700 -0.348 0.000 2.708 321 N HA -0.193 4.547 4.740 -0.000 0.000 0.251 321 N C -0.403 175.081 175.510 -0.042 0.000 1.123 321 N CA 0.582 53.327 53.050 -0.508 0.000 0.739 321 N CB -0.922 37.274 38.487 -0.484 0.000 1.113 321 N HN 0.716 nan 8.380 nan 0.000 0.561 322 Q N 0.572 120.355 119.800 -0.029 0.000 2.844 322 Q HA 0.167 4.506 4.340 -0.000 0.000 0.235 322 Q C 1.147 177.144 176.000 -0.005 0.000 1.336 322 Q CA -0.267 55.542 55.803 0.011 0.000 1.026 322 Q CB 0.437 29.174 28.738 -0.003 0.000 1.513 322 Q HN 0.386 nan 8.270 nan 0.000 0.577 323 I N 0.967 121.508 120.570 -0.048 0.000 2.439 323 I HA -0.209 3.961 4.170 -0.000 0.000 0.251 323 I C 2.207 178.185 176.117 -0.231 0.000 1.139 323 I CA 1.427 62.655 61.300 -0.120 0.000 1.438 323 I CB -0.072 37.742 38.000 -0.310 0.000 1.085 323 I HN 0.408 nan 8.210 nan 0.000 0.427 324 R N 0.126 120.492 120.500 -0.223 0.000 2.080 324 R HA -0.219 4.121 4.340 -0.000 0.000 0.236 324 R C 2.276 178.473 176.300 -0.173 0.000 1.137 324 R CA 2.074 58.076 56.100 -0.163 0.000 0.943 324 R CB -0.302 29.994 30.300 -0.006 0.000 0.846 324 R HN 0.504 nan 8.270 nan 0.000 0.431 325 Q N -0.538 119.203 119.800 -0.099 0.000 2.119 325 Q HA -0.133 4.207 4.340 -0.000 0.000 0.201 325 Q C 2.215 178.114 176.000 -0.168 0.000 0.972 325 Q CA 1.535 57.280 55.803 -0.096 0.000 0.847 325 Q CB -0.075 28.638 28.738 -0.041 0.000 0.903 325 Q HN 0.297 nan 8.270 nan 0.000 0.433 326 S N 0.740 116.312 115.700 -0.213 0.000 2.370 326 S HA -0.103 4.367 4.470 -0.000 0.000 0.226 326 S C 1.942 176.343 174.600 -0.331 0.000 1.033 326 S CA 0.838 58.843 58.200 -0.326 0.000 1.011 326 S CB -0.133 62.765 63.200 -0.503 0.000 0.852 326 S HN 0.282 nan 8.310 nan 0.000 0.457 327 L N 0.906 121.894 121.223 -0.392 0.000 2.056 327 L HA -0.061 4.279 4.340 -0.000 0.000 0.207 327 L C 2.937 179.513 176.870 -0.489 0.000 1.078 327 L CA 1.216 55.731 54.840 -0.542 0.000 0.749 327 L CB -0.812 40.671 42.059 -0.960 0.000 0.901 327 L HN 0.393 nan 8.230 nan 0.000 0.433 328 A N -0.128 122.453 122.820 -0.398 0.000 1.933 328 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 328 A C 2.188 179.732 177.584 -0.067 0.000 1.175 328 A CA 1.418 53.394 52.037 -0.103 0.000 0.628 328 A CB -0.296 18.694 19.000 -0.017 0.000 0.814 328 A HN 0.375 nan 8.150 nan 0.000 0.444 329 E N -0.290 119.844 120.200 -0.109 0.000 2.106 329 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 329 E C 2.071 178.632 176.600 -0.066 0.000 0.984 329 E CA 1.618 57.970 56.400 -0.080 0.000 0.806 329 E CB -0.947 28.685 29.700 -0.113 0.000 0.750 329 E HN 0.594 nan 8.360 nan 0.000 0.458 330 T N 2.148 116.643 114.554 -0.097 0.000 2.746 330 T HA -0.065 4.285 4.350 -0.000 0.000 0.267 330 T C 2.058 176.758 174.700 -0.000 0.000 1.039 330 T CA 0.704 62.781 62.100 -0.037 0.000 1.142 330 T CB -0.159 68.671 68.868 -0.064 0.000 0.866 330 T HN 0.094 nan 8.240 nan 0.000 0.444 331 L N 0.680 121.893 121.223 -0.017 0.000 2.201 331 L HA -0.075 4.264 4.340 -0.000 0.000 0.212 331 L C 2.412 179.279 176.870 -0.004 0.000 1.105 331 L CA 1.117 55.953 54.840 -0.007 0.000 0.775 331 L CB -0.519 41.577 42.059 0.062 0.000 0.913 331 L HN 0.227 nan 8.230 nan 0.000 0.440 332 D N 0.009 120.414 120.400 0.008 0.000 2.178 332 D HA -0.246 4.394 4.640 -0.000 0.000 0.201 332 D C 2.246 178.566 176.300 0.033 0.000 0.980 332 D CA 1.134 55.142 54.000 0.012 0.000 0.842 332 D CB 0.115 40.922 40.800 0.010 0.000 0.948 332 D HN 0.154 nan 8.370 nan 0.000 0.472 333 M N -0.222 119.409 119.600 0.053 0.000 2.288 333 M HA -0.080 4.400 4.480 -0.000 0.000 0.266 333 M C 1.936 178.282 176.300 0.076 0.000 1.072 333 M CA 1.057 56.416 55.300 0.099 0.000 1.132 333 M CB 0.106 32.776 32.600 0.117 0.000 1.386 333 M HN -0.074 nan 8.290 nan 0.000 0.432 334 E N 0.761 121.008 120.200 0.078 0.000 2.110 334 E HA -0.243 4.107 4.350 -0.000 0.000 0.193 334 E C 1.438 177.974 176.600 -0.107 0.000 0.988 334 E CA 1.587 57.968 56.400 -0.032 0.000 0.804 334 E CB -0.038 29.514 29.700 -0.247 0.000 0.745 334 E HN 0.651 nan 8.360 nan 0.000 0.458 335 E N -0.249 119.911 120.200 -0.067 0.000 2.208 335 E HA -0.069 4.281 4.350 -0.000 0.000 0.193 335 E C 1.891 178.477 176.600 -0.024 0.000 0.988 335 E CA 0.739 57.105 56.400 -0.057 0.000 0.828 335 E CB -0.007 29.670 29.700 -0.039 0.000 0.763 335 E HN 0.279 nan 8.360 nan 0.000 0.478 336 A N 0.668 123.496 122.820 0.012 0.000 1.968 336 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 336 A C 2.393 179.995 177.584 0.030 0.000 1.169 336 A CA 0.733 52.834 52.037 0.106 0.000 0.638 336 A CB -0.367 18.798 19.000 0.276 0.000 0.812 336 A HN 0.104 nan 8.150 nan 0.000 0.446 337 V N 0.066 119.786 119.914 -0.322 0.000 2.343 337 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 337 V C 2.775 178.806 176.094 -0.105 0.000 1.051 337 V CA 2.342 64.333 62.300 -0.516 0.000 1.036 337 V CB -0.836 30.627 31.823 -0.601 0.000 0.654 337 V HN 0.563 nan 8.190 nan 0.000 0.451 338 S N -0.208 115.443 115.700 -0.082 0.000 2.370 338 S HA -0.292 4.178 4.470 -0.000 0.000 0.226 338 S C 1.921 176.534 174.600 0.022 0.000 1.033 338 S CA 2.223 60.407 58.200 -0.027 0.000 1.011 338 S CB -0.450 62.715 63.200 -0.057 0.000 0.852 338 S HN 0.545 nan 8.310 nan 0.000 0.457 339 M N 2.437 122.057 119.600 0.034 0.000 2.086 339 M HA -0.012 4.468 4.480 -0.000 0.000 0.261 339 M C 2.017 178.377 176.300 0.101 0.000 1.067 339 M CA 1.698 57.034 55.300 0.060 0.000 1.116 339 M CB -0.874 31.765 32.600 0.064 0.000 1.348 339 M HN 0.230 nan 8.290 nan 0.000 0.407 340 A N -0.074 122.845 122.820 0.165 0.000 1.902 340 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 340 A C 2.195 179.879 177.584 0.166 0.000 1.181 340 A CA 1.835 54.002 52.037 0.216 0.000 0.623 340 A CB -1.148 18.088 19.000 0.393 0.000 0.818 340 A HN 0.594 nan 8.150 nan 0.000 0.443 341 L N 0.433 121.745 121.223 0.147 0.000 2.083 341 L HA -0.169 4.170 4.340 -0.000 0.000 0.209 341 L C 2.921 179.845 176.870 0.089 0.000 1.083 341 L CA 1.545 56.463 54.840 0.129 0.000 0.752 341 L CB -0.404 41.743 42.059 0.145 0.000 0.899 341 L HN 0.600 nan 8.230 nan 0.000 0.433 342 S N -0.964 114.779 115.700 0.072 0.000 2.474 342 S HA -0.106 4.364 4.470 -0.000 0.000 0.235 342 S C 1.679 176.311 174.600 0.053 0.000 0.997 342 S CA 0.876 59.106 58.200 0.051 0.000 0.949 342 S CB -0.181 63.040 63.200 0.035 0.000 0.766 342 S HN 0.439 nan 8.310 nan 0.000 0.517 343 M N 1.452 121.094 119.600 0.070 0.000 2.308 343 M HA 0.180 4.660 4.480 -0.000 0.000 0.269 343 M C 0.238 176.588 176.300 0.084 0.000 1.040 343 M CA 0.136 55.478 55.300 0.069 0.000 1.024 343 M CB 0.940 33.585 32.600 0.075 0.000 1.465 343 M HN 0.450 nan 8.290 nan 0.000 0.517 344 T N -3.093 111.515 114.554 0.090 0.000 2.930 344 T HA 0.399 4.749 4.350 -0.000 0.000 0.290 344 T C -0.924 173.814 174.700 0.063 0.000 1.052 344 T CA -0.904 61.251 62.100 0.093 0.000 1.017 344 T CB 2.470 71.407 68.868 0.115 0.000 1.137 344 T HN -0.101 nan 8.240 nan 0.000 0.511 345 D N 1.781 122.212 120.400 0.052 0.000 2.359 345 D HA 0.318 4.958 4.640 -0.000 0.000 0.230 345 D C -1.474 174.836 176.300 0.017 0.000 1.118 345 D CA -2.547 51.474 54.000 0.034 0.000 0.844 345 D CB 1.708 42.528 40.800 0.033 0.000 1.059 345 D HN 0.187 nan 8.370 nan 0.000 0.493 346 P HA -0.069 nan 4.420 nan 0.000 0.230 346 P C 0.639 177.927 177.300 -0.020 0.000 1.158 346 P CA 0.581 63.672 63.100 -0.014 0.000 0.769 346 P CB 0.509 32.198 31.700 -0.018 0.000 0.807 347 E N 0.359 120.553 120.200 -0.010 0.000 2.478 347 E HA -0.126 4.224 4.350 -0.000 0.000 0.198 347 E C 1.476 178.065 176.600 -0.018 0.000 1.046 347 E CA 0.806 57.195 56.400 -0.018 0.000 0.870 347 E CB -0.008 29.687 29.700 -0.008 0.000 0.818 347 E HN 0.661 nan 8.360 nan 0.000 0.527 348 E N -0.864 119.330 120.200 -0.010 0.000 2.665 348 E HA 0.089 4.439 4.350 -0.000 0.000 0.225 348 E C -0.122 176.471 176.600 -0.013 0.000 0.922 348 E CA -0.066 56.332 56.400 -0.004 0.000 1.242 348 E CB 0.474 30.180 29.700 0.009 0.000 1.197 348 E HN -0.204 nan 8.360 nan 0.000 0.581 349 T N 2.127 116.669 114.554 -0.020 0.000 2.770 349 T HA 0.467 4.817 4.350 -0.000 0.000 0.283 349 T C -0.206 174.478 174.700 -0.026 0.000 0.988 349 T CA -0.464 61.614 62.100 -0.037 0.000 0.957 349 T CB 1.353 70.206 68.868 -0.025 0.000 0.930 349 T HN 0.111 nan 8.240 nan 0.000 0.443 350 I N 4.085 124.649 120.570 -0.010 0.000 2.371 350 I HA 0.363 4.533 4.170 -0.000 0.000 0.290 350 I C -0.187 175.928 176.117 -0.003 0.000 1.028 350 I CA -0.408 60.890 61.300 -0.004 0.000 1.345 350 I CB 0.781 38.812 38.000 0.051 0.000 1.407 350 I HN 0.458 nan 8.210 nan 0.000 0.501 351 I N 7.668 128.217 120.570 -0.034 0.000 2.389 351 I HA 0.399 4.569 4.170 -0.000 0.000 0.288 351 I C -0.664 175.485 176.117 0.054 0.000 0.999 351 I CA -0.482 60.861 61.300 0.073 0.000 1.129 351 I CB 1.820 39.920 38.000 0.167 0.000 1.288 351 I HN 0.418 nan 8.210 nan 0.000 0.444 352 L N 7.696 128.935 121.223 0.027 0.000 2.386 352 L HA 0.739 5.079 4.340 -0.000 0.000 0.271 352 L C -1.381 175.398 176.870 -0.152 0.000 0.993 352 L CA -0.548 54.201 54.840 -0.151 0.000 0.819 352 L CB 1.920 43.691 42.059 -0.479 0.000 1.294 352 L HN 0.294 nan 8.230 nan 0.000 0.414 353 V N 3.811 123.644 119.914 -0.135 0.000 2.604 353 V HA 0.762 4.882 4.120 -0.000 0.000 0.305 353 V C -0.077 175.904 176.094 -0.188 0.000 1.043 353 V CA -0.260 61.876 62.300 -0.274 0.000 0.888 353 V CB 1.756 33.131 31.823 -0.746 0.000 0.995 353 V HN 0.908 nan 8.190 nan 0.000 0.429 354 T N 2.272 116.698 114.554 -0.213 0.000 2.665 354 T HA 0.811 5.161 4.350 -0.000 0.000 0.303 354 T C -1.399 173.234 174.700 -0.112 0.000 1.334 354 T CA 0.268 62.303 62.100 -0.107 0.000 1.011 354 T CB 1.891 70.639 68.868 -0.200 0.000 1.573 354 T HN 1.113 nan 8.240 nan 0.000 0.492 355 A N 0.707 123.470 122.820 -0.096 0.000 2.380 355 A HA 0.653 4.973 4.320 -0.000 0.000 0.315 355 A C 0.757 178.215 177.584 -0.210 0.000 1.101 355 A CA -0.126 51.827 52.037 -0.139 0.000 0.771 355 A CB 1.157 20.120 19.000 -0.063 0.000 1.287 355 A HN 0.895 nan 8.150 nan 0.000 0.436 356 D N 0.055 120.296 120.400 -0.265 0.000 2.149 356 D HA 0.052 4.692 4.640 -0.000 0.000 0.201 356 D C 0.465 176.749 176.300 -0.028 0.000 0.972 356 D CA 2.051 55.998 54.000 -0.089 0.000 0.835 356 D CB -0.337 40.522 40.800 0.100 0.000 0.966 356 D HN 0.822 nan 8.370 nan 0.000 0.476 357 H N -3.954 115.122 119.070 0.010 0.000 2.917 357 H HA 0.638 5.194 4.556 -0.000 0.000 0.299 357 H C -0.056 175.253 175.328 -0.031 0.000 1.418 357 H CA -0.901 55.141 56.048 -0.011 0.000 1.138 357 H CB 0.959 30.682 29.762 -0.066 0.000 1.830 357 H HN 0.076 nan 8.280 nan 0.000 0.514 358 G N -1.184 107.719 108.800 0.172 0.000 2.671 358 G HA2 0.514 4.474 3.960 -0.000 0.000 0.275 358 G HA3 0.514 4.474 3.960 -0.000 0.000 0.275 358 G C -1.237 173.756 174.900 0.156 0.000 1.368 358 G CA -0.601 44.592 45.100 0.155 0.000 1.044 358 G HN 0.744 nan 8.290 nan 0.000 0.543 359 H N -2.428 116.707 119.070 0.109 0.000 2.946 359 H HA 0.410 4.966 4.556 -0.000 0.000 0.365 359 H C 0.460 175.791 175.328 0.005 0.000 1.197 359 H CA 0.050 56.126 56.048 0.046 0.000 1.131 359 H CB 2.001 31.707 29.762 -0.093 0.000 1.849 359 H HN 0.530 nan 8.280 nan 0.000 0.555 360 T N 0.967 115.649 114.554 0.214 0.000 3.609 360 T HA 0.107 4.457 4.350 -0.000 0.000 0.245 360 T C 0.218 174.968 174.700 0.084 0.000 0.980 360 T CA -0.439 61.756 62.100 0.158 0.000 0.940 360 T CB -0.986 67.997 68.868 0.191 0.000 1.105 360 T HN 0.129 nan 8.240 nan 0.000 0.627 361 L N 3.300 124.469 121.223 -0.091 0.000 2.367 361 L HA 0.520 4.860 4.340 -0.000 0.000 0.275 361 L C 0.346 177.106 176.870 -0.184 0.000 1.129 361 L CA 0.463 55.089 54.840 -0.357 0.000 0.839 361 L CB 0.750 42.566 42.059 -0.406 0.000 1.133 361 L HN 0.567 nan 8.230 nan 0.000 0.453 362 T N 2.799 117.239 114.554 -0.190 0.000 2.916 362 T HA 0.664 5.014 4.350 -0.000 0.000 0.292 362 T C -0.323 174.332 174.700 -0.075 0.000 1.064 362 T CA -0.727 61.322 62.100 -0.085 0.000 1.011 362 T CB 1.159 70.004 68.868 -0.037 0.000 1.152 362 T HN 0.450 nan 8.240 nan 0.000 0.510 363 I N 3.026 123.573 120.570 -0.038 0.000 2.464 363 I HA 0.283 4.453 4.170 -0.000 0.000 0.277 363 I C 0.790 176.890 176.117 -0.028 0.000 1.040 363 I CA -0.773 60.512 61.300 -0.026 0.000 1.153 363 I CB 1.392 39.382 38.000 -0.017 0.000 1.274 363 I HN 0.944 nan 8.210 nan 0.000 0.469 364 T N 1.884 116.433 114.554 -0.008 0.000 2.849 364 T HA 0.609 4.959 4.350 -0.000 0.000 0.284 364 T C 0.503 175.133 174.700 -0.117 0.000 1.004 364 T CA -0.553 61.529 62.100 -0.030 0.000 1.021 364 T CB 1.854 70.781 68.868 0.099 0.000 1.013 364 T HN 0.508 nan 8.240 nan 0.000 0.527 365 G N -0.438 108.141 108.800 -0.369 0.000 2.511 365 G HA2 0.540 4.500 3.960 -0.000 0.000 0.316 365 G HA3 0.540 4.500 3.960 -0.000 0.000 0.316 365 G C -1.547 173.165 174.900 -0.314 0.000 1.210 365 G CA -0.877 43.794 45.100 -0.715 0.000 0.969 365 G HN 0.736 nan 8.290 nan 0.000 0.492 366 Y N 0.244 120.611 120.300 0.112 0.000 2.662 366 Y HA 0.535 5.085 4.550 -0.000 0.000 0.358 366 Y C 0.741 176.657 175.900 0.025 0.000 1.041 366 Y CA -0.804 57.333 58.100 0.061 0.000 1.184 366 Y CB 0.823 39.317 38.460 0.057 0.000 1.114 366 Y HN 0.730 nan 8.280 nan 0.000 0.650 367 A N 0.673 123.543 122.820 0.084 0.000 2.351 367 A HA 0.385 4.705 4.320 -0.000 0.000 0.257 367 A C 0.032 177.649 177.584 0.055 0.000 1.087 367 A CA -0.520 51.546 52.037 0.049 0.000 0.798 367 A CB 0.371 19.380 19.000 0.015 0.000 1.033 367 A HN 0.471 nan 8.150 nan 0.000 0.488 368 D N 1.122 121.537 120.400 0.024 0.000 2.368 368 D HA 0.125 4.765 4.640 -0.000 0.000 0.240 368 D C 0.558 176.844 176.300 -0.024 0.000 1.169 368 D CA 0.177 54.178 54.000 0.001 0.000 0.906 368 D CB 0.388 41.172 40.800 -0.027 0.000 1.187 368 D HN 0.332 nan 8.370 nan 0.000 0.435 369 R N 1.615 122.097 120.500 -0.031 0.000 2.678 369 R HA -0.091 4.249 4.340 -0.000 0.000 0.264 369 R C 0.507 176.695 176.300 -0.186 0.000 0.995 369 R CA 0.334 56.397 56.100 -0.062 0.000 1.098 369 R CB -0.125 30.152 30.300 -0.039 0.000 0.949 369 R HN 0.482 nan 8.270 nan 0.000 0.422 370 N N -0.948 117.581 118.700 -0.284 0.000 2.936 370 N HA -0.153 4.587 4.740 -0.000 0.000 0.236 370 N C -0.744 174.557 175.510 -0.347 0.000 0.930 370 N CA 1.670 54.292 53.050 -0.712 0.000 0.966 370 N CB -1.249 36.645 38.487 -0.987 0.000 1.090 370 N HN 0.568 nan 8.380 nan 0.000 0.592 371 T N 1.233 115.703 114.554 -0.141 0.000 2.919 371 T HA 0.046 4.396 4.350 -0.000 0.000 0.302 371 T C 0.259 174.973 174.700 0.023 0.000 1.031 371 T CA -0.311 61.758 62.100 -0.052 0.000 1.127 371 T CB 1.116 69.972 68.868 -0.020 0.000 0.952 371 T HN 0.065 nan 8.240 nan 0.000 0.540 372 D N 1.488 121.915 120.400 0.045 0.000 2.487 372 D HA -0.055 4.585 4.640 -0.000 0.000 0.243 372 D C 1.045 177.393 176.300 0.079 0.000 1.154 372 D CA -0.410 53.638 54.000 0.081 0.000 0.876 372 D CB 0.452 41.291 40.800 0.064 0.000 1.161 372 D HN 0.368 nan 8.370 nan 0.000 0.478 373 I N 4.218 124.852 120.570 0.108 0.000 2.530 373 I HA -0.199 3.971 4.170 -0.000 0.000 0.257 373 I C 1.681 177.848 176.117 0.082 0.000 1.179 373 I CA 1.162 62.517 61.300 0.091 0.000 1.440 373 I CB 0.081 38.143 38.000 0.103 0.000 1.087 373 I HN 0.538 nan 8.210 nan 0.000 0.440 374 L N -0.467 120.817 121.223 0.102 0.000 2.628 374 L HA 0.133 4.473 4.340 -0.000 0.000 0.229 374 L C 0.644 177.580 176.870 0.110 0.000 1.137 374 L CA -0.187 54.731 54.840 0.129 0.000 0.909 374 L CB -0.395 41.746 42.059 0.136 0.000 1.137 374 L HN 0.120 nan 8.230 nan 0.000 0.470 375 D N -0.577 119.837 120.400 0.023 0.000 2.423 375 D HA 0.141 4.781 4.640 -0.000 0.000 0.255 375 D C -0.105 176.125 176.300 -0.117 0.000 1.174 375 D CA -0.371 53.573 54.000 -0.094 0.000 1.008 375 D CB 0.839 41.631 40.800 -0.014 0.000 1.101 375 D HN -0.273 nan 8.370 nan 0.000 0.516 376 F N 0.184 120.109 119.950 -0.042 0.000 2.563 376 F HA 0.202 4.729 4.527 -0.000 0.000 0.363 376 F C 1.426 177.109 175.800 -0.194 0.000 1.123 376 F CA -0.124 57.795 58.000 -0.135 0.000 1.307 376 F CB 0.511 39.424 39.000 -0.146 0.000 1.115 376 F HN 0.370 nan 8.300 nan 0.000 0.592 377 A N 1.972 124.683 122.820 -0.183 0.000 1.997 377 A HA 0.569 4.889 4.320 -0.000 0.000 0.212 377 A C 1.120 178.477 177.584 -0.379 0.000 1.178 377 A CA 1.024 52.877 52.037 -0.306 0.000 0.698 377 A CB -0.479 18.286 19.000 -0.393 0.000 0.842 377 A HN 1.021 nan 8.150 nan 0.000 0.458 378 G N -1.625 106.809 108.800 -0.610 0.000 2.336 378 G HA2 0.399 4.359 3.960 -0.000 0.000 0.286 378 G HA3 0.399 4.359 3.960 -0.000 0.000 0.286 378 G C -1.612 173.160 174.900 -0.213 0.000 1.269 378 G CA -0.549 44.363 45.100 -0.314 0.000 0.873 378 G HN 0.227 nan 8.290 nan 0.000 0.494 379 I N 1.321 121.949 120.570 0.097 0.000 2.465 379 I HA 0.441 4.611 4.170 -0.000 0.000 0.291 379 I C 0.698 176.977 176.117 0.269 0.000 1.014 379 I CA -0.738 60.654 61.300 0.153 0.000 1.093 379 I CB 1.972 39.984 38.000 0.020 0.000 1.267 379 I HN 0.512 nan 8.210 nan 0.000 0.431 380 S N 3.356 119.195 115.700 0.232 0.000 2.560 380 S HA -0.017 4.453 4.470 -0.000 0.000 0.284 380 S C 0.811 175.434 174.600 0.037 0.000 1.327 380 S CA -0.308 57.929 58.200 0.062 0.000 1.055 380 S CB 0.438 63.630 63.200 -0.015 0.000 0.868 380 S HN 0.715 nan 8.310 nan 0.000 0.506 381 D N 4.016 124.425 120.400 0.015 0.000 2.339 381 D HA 0.044 4.684 4.640 -0.000 0.000 0.217 381 D C 1.271 177.570 176.300 -0.002 0.000 1.050 381 D CA 0.317 54.325 54.000 0.013 0.000 0.856 381 D CB -0.131 40.681 40.800 0.021 0.000 0.922 381 D HN 0.526 nan 8.370 nan 0.000 0.518 382 L N 0.107 121.322 121.223 -0.013 0.000 2.362 382 L HA 0.120 4.460 4.340 -0.000 0.000 0.204 382 L C 0.988 177.851 176.870 -0.011 0.000 1.060 382 L CA 1.006 55.838 54.840 -0.013 0.000 0.827 382 L CB 0.122 42.169 42.059 -0.019 0.000 1.027 382 L HN 0.013 nan 8.230 nan 0.000 0.474 383 D N -3.333 117.059 120.400 -0.013 0.000 2.503 383 D HA 0.015 4.655 4.640 -0.000 0.000 0.218 383 D C 0.319 176.608 176.300 -0.018 0.000 1.183 383 D CA -0.142 53.849 54.000 -0.015 0.000 0.827 383 D CB 0.181 40.969 40.800 -0.018 0.000 1.034 383 D HN 0.002 nan 8.370 nan 0.000 0.510 384 D N -0.155 120.239 120.400 -0.010 0.000 3.012 384 D HA -0.191 4.449 4.640 -0.000 0.000 0.222 384 D C -0.647 175.635 176.300 -0.031 0.000 1.167 384 D CA 0.750 54.741 54.000 -0.015 0.000 0.854 384 D CB -0.527 40.259 40.800 -0.024 0.000 1.107 384 D HN 0.409 nan 8.370 nan 0.000 0.421 385 R N 0.038 120.525 120.500 -0.021 0.000 2.732 385 R HA 0.590 4.930 4.340 -0.000 0.000 0.278 385 R C 0.479 176.779 176.300 -0.000 0.000 0.976 385 R CA -0.918 55.154 56.100 -0.046 0.000 0.963 385 R CB 1.156 31.420 30.300 -0.061 0.000 1.150 385 R HN 0.011 nan 8.270 nan 0.000 0.478 386 R N 1.255 121.698 120.500 -0.095 0.000 2.811 386 R HA -0.001 4.339 4.340 -0.000 0.000 0.265 386 R C -0.650 175.745 176.300 0.158 0.000 1.026 386 R CA 0.644 56.678 56.100 -0.109 0.000 1.142 386 R CB 0.163 30.152 30.300 -0.518 0.000 1.027 386 R HN 0.579 nan 8.270 nan 0.000 0.465 387 Y N -2.903 117.449 120.300 0.086 0.000 2.544 387 Y HA 0.390 4.940 4.550 -0.000 0.000 0.342 387 Y C -0.662 175.380 175.900 0.237 0.000 1.062 387 Y CA -1.399 56.789 58.100 0.147 0.000 1.023 387 Y CB 0.872 39.382 38.460 0.082 0.000 1.308 387 Y HN 0.631 nan 8.280 nan 0.000 0.457 388 T N 0.408 115.103 114.554 0.235 0.000 2.913 388 T HA 0.376 4.726 4.350 -0.000 0.000 0.287 388 T C 1.183 175.959 174.700 0.126 0.000 1.008 388 T CA -0.602 61.572 62.100 0.122 0.000 1.067 388 T CB 1.199 70.143 68.868 0.126 0.000 0.996 388 T HN 0.807 nan 8.240 nan 0.000 0.513 389 I N 0.300 120.909 120.570 0.065 0.000 2.118 389 I HA -0.101 4.069 4.170 -0.000 0.000 0.241 389 I C 0.951 177.128 176.117 0.100 0.000 1.070 389 I CA 1.390 62.728 61.300 0.064 0.000 1.327 389 I CB -0.336 37.686 38.000 0.038 0.000 1.034 389 I HN 0.461 nan 8.210 nan 0.000 0.405 390 L N 1.614 122.917 121.223 0.134 0.000 2.312 390 L HA 0.289 4.629 4.340 -0.000 0.000 0.281 390 L C -0.772 176.177 176.870 0.132 0.000 1.070 390 L CA -0.456 54.416 54.840 0.054 0.000 0.805 390 L CB 0.940 42.953 42.059 -0.075 0.000 1.174 390 L HN 0.275 nan 8.230 nan 0.000 0.434 391 D N 0.688 121.064 120.400 -0.039 0.000 2.692 391 D HA 0.373 5.013 4.640 -0.000 0.000 0.303 391 D C -1.452 174.703 176.300 -0.242 0.000 1.278 391 D CA -0.584 53.415 54.000 -0.001 0.000 0.852 391 D CB 0.942 41.844 40.800 0.171 0.000 1.375 391 D HN 0.174 nan 8.370 nan 0.000 0.453 392 Y N -1.314 119.043 120.300 0.095 0.000 2.485 392 Y HA 0.564 5.114 4.550 -0.000 0.000 0.345 392 Y C 1.464 177.406 175.900 0.070 0.000 0.998 392 Y CA -0.398 57.737 58.100 0.059 0.000 1.059 392 Y CB 2.741 41.235 38.460 0.057 0.000 1.234 392 Y HN 0.609 nan 8.280 nan 0.000 0.461 393 G N 0.268 109.213 108.800 0.241 0.000 2.484 393 G HA2 0.034 3.994 3.960 -0.000 0.000 0.218 393 G HA3 0.034 3.994 3.960 -0.000 0.000 0.218 393 G C 0.218 175.210 174.900 0.153 0.000 1.130 393 G CA 0.753 45.949 45.100 0.161 0.000 0.784 393 G HN 0.403 nan 8.290 nan 0.000 0.543 394 S N -1.623 114.186 115.700 0.183 0.000 2.536 394 S HA 0.691 5.161 4.470 -0.000 0.000 0.271 394 S C -0.341 174.272 174.600 0.023 0.000 1.134 394 S CA 0.502 58.760 58.200 0.097 0.000 0.897 394 S CB 1.433 64.679 63.200 0.076 0.000 1.094 394 S HN 1.435 nan 8.310 nan 0.000 0.473 395 G N 3.287 112.087 108.800 -0.001 0.000 2.359 395 G HA2 0.187 4.147 3.960 -0.000 0.000 0.303 395 G HA3 0.187 4.147 3.960 -0.000 0.000 0.303 395 G C -3.075 171.802 174.900 -0.038 0.000 1.293 395 G CA -0.249 44.807 45.100 -0.074 0.000 0.964 395 G HN 0.462 nan 8.290 nan 0.000 0.531 396 P HA 0.119 nan 4.420 nan 0.000 0.245 396 P C 1.692 178.958 177.300 -0.057 0.000 1.212 396 P CA 1.266 64.323 63.100 -0.072 0.000 0.774 396 P CB 0.079 31.686 31.700 -0.155 0.000 0.999 397 G N -0.720 108.052 108.800 -0.047 0.000 2.471 397 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.219 397 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.219 397 G C 0.284 175.241 174.900 0.095 0.000 1.125 397 G CA -0.088 45.000 45.100 -0.019 0.000 0.775 397 G HN 0.268 nan 8.290 nan 0.000 0.548 398 Y N 1.607 121.932 120.300 0.042 0.000 2.721 398 Y HA 0.272 4.822 4.550 -0.000 0.000 0.329 398 Y C -0.276 175.704 175.900 0.133 0.000 1.211 398 Y CA -0.091 58.066 58.100 0.095 0.000 1.512 398 Y CB 0.212 38.716 38.460 0.072 0.000 1.249 398 Y HN 0.187 nan 8.280 nan 0.000 0.549 399 H N 7.209 126.085 119.070 -0.324 0.000 3.240 399 H HA 0.372 4.928 4.556 -0.000 0.000 0.326 399 H C -1.404 173.817 175.328 -0.178 0.000 1.015 399 H CA -1.111 54.830 56.048 -0.178 0.000 1.504 399 H CB 0.233 29.905 29.762 -0.149 0.000 1.754 399 H HN 0.754 nan 8.280 nan 0.000 0.505 400 I N 4.942 125.588 120.570 0.127 0.000 2.342 400 I HA 0.117 4.287 4.170 -0.000 0.000 0.291 400 I C 1.009 177.168 176.117 0.070 0.000 1.010 400 I CA -0.473 60.846 61.300 0.032 0.000 1.308 400 I CB 1.312 39.378 38.000 0.110 0.000 1.400 400 I HN 0.645 nan 8.210 nan 0.000 0.488 401 T N 1.070 115.596 114.554 -0.047 0.000 2.726 401 T HA 0.069 4.419 4.350 -0.000 0.000 0.294 401 T C 1.003 175.745 174.700 0.069 0.000 1.013 401 T CA -0.355 61.739 62.100 -0.010 0.000 0.996 401 T CB 1.103 69.961 68.868 -0.016 0.000 1.016 401 T HN 0.652 nan 8.240 nan 0.000 0.529 402 E N 0.536 120.787 120.200 0.085 0.000 2.118 402 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 402 E C 1.334 177.965 176.600 0.053 0.000 0.992 402 E CA 1.482 57.927 56.400 0.076 0.000 0.804 402 E CB -0.101 29.643 29.700 0.074 0.000 0.741 402 E HN 0.847 nan 8.360 nan 0.000 0.458 403 D N -1.273 119.150 120.400 0.039 0.000 2.352 403 D HA 0.056 4.696 4.640 -0.000 0.000 0.236 403 D C 0.742 177.056 176.300 0.023 0.000 1.148 403 D CA 0.586 54.602 54.000 0.027 0.000 0.844 403 D CB -0.050 40.761 40.800 0.018 0.000 0.933 403 D HN 0.223 nan 8.370 nan 0.000 0.507 404 G N 0.376 109.195 108.800 0.031 0.000 2.198 404 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.257 404 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.257 404 G C -0.059 174.851 174.900 0.017 0.000 1.042 404 G CA 0.002 45.121 45.100 0.032 0.000 0.791 404 G HN 0.356 nan 8.290 nan 0.000 0.502 405 K N -0.788 119.611 120.400 -0.001 0.000 2.352 405 K HA 0.578 4.898 4.320 -0.000 0.000 0.240 405 K C 0.450 177.024 176.600 -0.042 0.000 1.017 405 K CA -1.406 54.869 56.287 -0.020 0.000 0.851 405 K CB 0.996 33.476 32.500 -0.032 0.000 1.261 405 K HN 0.282 nan 8.250 nan 0.000 0.451 406 R N 1.123 121.593 120.500 -0.050 0.000 2.449 406 R HA 0.025 4.365 4.340 -0.000 0.000 0.296 406 R C -0.614 175.643 176.300 -0.071 0.000 1.047 406 R CA -0.131 55.929 56.100 -0.067 0.000 1.018 406 R CB 0.020 30.292 30.300 -0.047 0.000 0.962 406 R HN 0.535 nan 8.270 nan 0.000 0.428 407 Y N 3.217 123.391 120.300 -0.210 0.000 2.721 407 Y HA -0.080 4.470 4.550 -0.000 0.000 0.329 407 Y C -0.180 175.681 175.900 -0.065 0.000 1.211 407 Y CA 0.500 58.464 58.100 -0.226 0.000 1.512 407 Y CB 0.472 38.713 38.460 -0.364 0.000 1.249 407 Y HN 0.591 nan 8.280 nan 0.000 0.549 408 E N 9.110 128.783 120.200 -0.878 0.000 2.081 408 E HA 0.294 4.644 4.350 -0.000 0.000 0.281 408 E C -2.496 173.671 176.600 -0.721 0.000 0.986 408 E CA -2.563 53.488 56.400 -0.582 0.000 0.796 408 E CB 0.622 30.098 29.700 -0.373 0.000 1.085 408 E HN 0.417 nan 8.360 nan 0.000 0.398 409 P HA 0.009 nan 4.420 nan 0.000 0.271 409 P C -0.468 176.877 177.300 0.075 0.000 1.218 409 P CA -0.168 62.939 63.100 0.011 0.000 0.780 409 P CB 0.982 32.781 31.700 0.165 0.000 0.901 410 T N -2.179 112.360 114.554 -0.025 0.000 2.938 410 T HA 0.320 4.670 4.350 -0.000 0.000 0.285 410 T C 1.114 175.852 174.700 0.062 0.000 1.028 410 T CA -0.564 61.580 62.100 0.073 0.000 1.005 410 T CB 1.313 70.165 68.868 -0.027 0.000 1.157 410 T HN 0.260 nan 8.240 nan 0.000 0.550 411 E N 0.010 120.287 120.200 0.128 0.000 2.085 411 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 411 E C 1.990 178.554 176.600 -0.060 0.000 0.994 411 E CA 1.535 57.964 56.400 0.048 0.000 0.801 411 E CB -0.021 29.732 29.700 0.088 0.000 0.743 411 E HN 0.856 nan 8.360 nan 0.000 0.453 412 E N 0.400 120.569 120.200 -0.053 0.000 2.051 412 E HA -0.247 4.103 4.350 -0.000 0.000 0.192 412 E C 1.439 177.959 176.600 -0.132 0.000 0.991 412 E CA 1.456 57.821 56.400 -0.059 0.000 0.799 412 E CB 0.052 29.736 29.700 -0.027 0.000 0.748 412 E HN 0.201 nan 8.360 nan 0.000 0.449 413 D N 0.779 121.009 120.400 -0.283 0.000 2.116 413 D HA -0.204 4.436 4.640 -0.000 0.000 0.193 413 D C 2.125 178.138 176.300 -0.480 0.000 0.998 413 D CA 1.036 54.637 54.000 -0.666 0.000 0.836 413 D CB -0.340 39.610 40.800 -1.416 0.000 0.951 413 D HN 0.290 nan 8.370 nan 0.000 0.449 414 L N 0.242 121.235 121.223 -0.384 0.000 2.127 414 L HA -0.164 4.176 4.340 -0.000 0.000 0.211 414 L C 2.149 179.038 176.870 0.031 0.000 1.089 414 L CA 1.189 55.929 54.840 -0.166 0.000 0.757 414 L CB -0.320 41.556 42.059 -0.304 0.000 0.899 414 L HN 0.032 nan 8.230 nan 0.000 0.434 415 K N -0.842 119.553 120.400 -0.009 0.000 2.361 415 K HA -0.028 4.292 4.320 -0.000 0.000 0.196 415 K C 0.478 177.125 176.600 0.078 0.000 1.039 415 K CA -0.081 56.231 56.287 0.042 0.000 1.001 415 K CB 0.025 32.536 32.500 0.018 0.000 0.795 415 K HN 0.079 nan 8.250 nan 0.000 0.495 416 D N 1.951 122.405 120.400 0.090 0.000 2.346 416 D HA -0.034 4.606 4.640 -0.000 0.000 0.260 416 D C 1.102 177.513 176.300 0.185 0.000 1.252 416 D CA -0.205 53.873 54.000 0.130 0.000 0.895 416 D CB 0.612 41.503 40.800 0.152 0.000 1.097 416 D HN 0.188 nan 8.370 nan 0.000 0.489 417 I N 1.080 121.729 120.570 0.132 0.000 2.800 417 I HA -0.165 4.005 4.170 -0.000 0.000 0.266 417 I C 0.421 176.612 176.117 0.123 0.000 1.249 417 I CA 1.005 62.376 61.300 0.118 0.000 1.458 417 I CB -0.315 37.732 38.000 0.080 0.000 1.093 417 I HN 0.150 nan 8.210 nan 0.000 0.466 418 N N -0.200 118.587 118.700 0.145 0.000 2.214 418 N HA 0.185 4.925 4.740 -0.000 0.000 0.214 418 N C -0.094 175.514 175.510 0.164 0.000 1.132 418 N CA -0.438 52.684 53.050 0.120 0.000 0.856 418 N CB 0.313 38.852 38.487 0.087 0.000 1.020 418 N HN 0.245 nan 8.380 nan 0.000 0.509 419 F N 2.459 122.476 119.950 0.113 0.000 2.484 419 F HA 0.239 4.766 4.527 -0.000 0.000 0.360 419 F C 0.252 176.181 175.800 0.215 0.000 1.101 419 F CA -0.753 57.332 58.000 0.141 0.000 1.251 419 F CB 0.497 39.589 39.000 0.153 0.000 1.132 419 F HN -0.145 nan 8.300 nan 0.000 0.570 420 R N 5.956 125.991 120.500 -0.774 0.000 2.215 420 R HA 0.216 4.556 4.340 -0.000 0.000 0.336 420 R C -1.285 174.642 176.300 -0.622 0.000 0.996 420 R CA -0.786 55.038 56.100 -0.459 0.000 0.847 420 R CB 0.585 30.685 30.300 -0.332 0.000 1.127 420 R HN 0.515 nan 8.270 nan 0.000 0.465 421 Y N 1.371 121.497 120.300 -0.290 0.000 2.457 421 Y HA 0.061 4.611 4.550 -0.000 0.000 0.341 421 Y C 1.164 177.132 175.900 0.114 0.000 1.240 421 Y CA -0.351 57.756 58.100 0.011 0.000 1.437 421 Y CB 0.468 39.056 38.460 0.213 0.000 1.328 421 Y HN 0.632 nan 8.280 nan 0.000 0.588 422 A N 2.462 125.449 122.820 0.278 0.000 2.540 422 A HA 0.401 4.721 4.320 -0.000 0.000 0.239 422 A C 0.286 178.062 177.584 0.321 0.000 1.061 422 A CA 0.252 52.438 52.037 0.249 0.000 0.758 422 A CB -0.417 18.717 19.000 0.224 0.000 0.991 422 A HN 0.751 nan 8.150 nan 0.000 0.502 423 S N 0.798 116.672 115.700 0.291 0.000 2.689 423 S HA 0.733 5.203 4.470 -0.000 0.000 0.306 423 S C 0.624 175.420 174.600 0.327 0.000 1.104 423 S CA -0.160 58.224 58.200 0.306 0.000 0.973 423 S CB 1.805 65.139 63.200 0.224 0.000 1.121 423 S HN 1.601 nan 8.310 nan 0.000 0.523 424 A N -0.082 122.886 122.820 0.246 0.000 2.147 424 A HA 0.707 5.027 4.320 -0.000 0.000 0.211 424 A C 0.971 178.613 177.584 0.096 0.000 1.160 424 A CA 0.477 52.641 52.037 0.213 0.000 0.781 424 A CB -0.427 18.652 19.000 0.131 0.000 0.842 424 A HN 1.585 nan 8.150 nan 0.000 0.475 425 A N 1.158 124.000 122.820 0.036 0.000 2.499 425 A HA 0.624 4.944 4.320 -0.000 0.000 0.280 425 A C -3.136 174.387 177.584 -0.102 0.000 1.135 425 A CA -1.497 50.475 52.037 -0.107 0.000 0.744 425 A CB 0.846 19.819 19.000 -0.046 0.000 1.213 425 A HN 0.096 nan 8.150 nan 0.000 0.434 426 P HA 0.278 nan 4.420 nan 0.000 0.271 426 P C -0.753 176.522 177.300 -0.040 0.000 1.220 426 P CA 0.211 63.261 63.100 -0.084 0.000 0.768 426 P CB 0.981 32.598 31.700 -0.138 0.000 0.848 427 K N 1.507 121.909 120.400 0.003 0.000 2.546 427 K HA 0.132 4.452 4.320 -0.000 0.000 0.264 427 K C 0.906 177.534 176.600 0.046 0.000 0.937 427 K CA -0.609 55.693 56.287 0.026 0.000 0.833 427 K CB 1.241 33.754 32.500 0.022 0.000 1.378 427 K HN 0.331 nan 8.250 nan 0.000 0.432 428 H N 0.844 119.905 119.070 -0.014 0.000 2.387 428 H HA -0.002 4.554 4.556 -0.000 0.000 0.299 428 H C -0.043 175.281 175.328 -0.006 0.000 1.099 428 H CA 2.136 58.175 56.048 -0.016 0.000 1.315 428 H CB 0.382 30.132 29.762 -0.020 0.000 1.380 428 H HN 0.224 nan 8.280 nan 0.000 0.513 429 S N -0.594 115.112 115.700 0.009 0.000 2.561 429 S HA 0.584 5.054 4.470 -0.000 0.000 0.303 429 S C -0.383 174.289 174.600 0.121 0.000 1.110 429 S CA -0.402 57.809 58.200 0.018 0.000 1.034 429 S CB 0.517 63.738 63.200 0.034 0.000 1.010 429 S HN 0.547 nan 8.310 nan 0.000 0.482 430 V N 4.058 124.064 119.914 0.154 0.000 2.788 430 V HA 0.408 4.527 4.120 -0.000 0.000 0.307 430 V C 1.096 177.329 176.094 0.232 0.000 1.069 430 V CA 0.663 63.042 62.300 0.132 0.000 1.173 430 V CB -0.180 31.667 31.823 0.040 0.000 0.925 430 V HN 0.983 nan 8.190 nan 0.000 0.492 431 T N 2.206 116.818 114.554 0.096 0.000 2.828 431 T HA 0.414 4.763 4.350 -0.000 0.000 0.290 431 T C 0.365 175.029 174.700 -0.059 0.000 1.019 431 T CA 0.102 62.206 62.100 0.006 0.000 1.031 431 T CB 0.178 69.029 68.868 -0.028 0.000 1.001 431 T HN 0.771 nan 8.240 nan 0.000 0.531 432 H N -0.075 118.840 119.070 -0.258 0.000 2.711 432 H HA 0.243 4.799 4.556 -0.000 0.000 0.381 432 H C 0.146 175.338 175.328 -0.226 0.000 1.535 432 H CA -0.472 55.281 56.048 -0.492 0.000 1.470 432 H CB 0.466 29.920 29.762 -0.513 0.000 1.551 432 H HN 0.677 nan 8.280 nan 0.000 0.613 433 D N -0.985 119.416 120.400 0.001 0.000 2.646 433 D HA 0.123 4.763 4.640 -0.000 0.000 0.245 433 D C 0.450 176.799 176.300 0.081 0.000 1.099 433 D CA -0.572 53.456 54.000 0.048 0.000 0.849 433 D CB 1.892 42.729 40.800 0.062 0.000 1.448 433 D HN 0.748 nan 8.370 nan 0.000 0.489 434 G N 2.039 110.885 108.800 0.076 0.000 2.985 434 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.209 434 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.209 434 G C 0.699 175.657 174.900 0.097 0.000 1.165 434 G CA 0.190 45.346 45.100 0.093 0.000 0.776 434 G HN 0.446 nan 8.290 nan 0.000 0.541 435 T N 2.234 116.837 114.554 0.083 0.000 2.940 435 T HA 0.148 4.498 4.350 -0.000 0.000 0.309 435 T C -0.001 174.748 174.700 0.082 0.000 1.056 435 T CA -0.213 61.932 62.100 0.074 0.000 1.137 435 T CB 0.810 69.717 68.868 0.065 0.000 0.976 435 T HN 0.118 nan 8.240 nan 0.000 0.547 436 D N 1.540 121.983 120.400 0.072 0.000 2.515 436 D HA 0.209 4.849 4.640 -0.000 0.000 0.232 436 D C 0.505 176.834 176.300 0.049 0.000 1.157 436 D CA 0.057 54.094 54.000 0.063 0.000 0.871 436 D CB 0.328 41.153 40.800 0.041 0.000 1.200 436 D HN 0.357 nan 8.370 nan 0.000 0.466 437 V N -1.338 118.597 119.914 0.034 0.000 3.103 437 V HA 0.901 5.021 4.120 -0.000 0.000 0.318 437 V C 0.560 176.604 176.094 -0.084 0.000 1.114 437 V CA -0.945 61.364 62.300 0.015 0.000 1.020 437 V CB 1.594 33.434 31.823 0.029 0.000 1.085 437 V HN 0.468 nan 8.190 nan 0.000 0.446 438 G N 0.261 108.949 108.800 -0.186 0.000 2.476 438 G HA2 0.686 4.646 3.960 -0.000 0.000 0.286 438 G HA3 0.686 4.646 3.960 -0.000 0.000 0.286 438 G C -0.861 173.583 174.900 -0.759 0.000 1.177 438 G CA -0.719 43.970 45.100 -0.684 0.000 0.870 438 G HN 0.808 nan 8.290 nan 0.000 0.528 439 I N 0.081 120.138 120.570 -0.855 0.000 2.545 439 I HA 0.448 4.618 4.170 -0.000 0.000 0.292 439 I C -0.942 174.851 176.117 -0.541 0.000 1.040 439 I CA -0.741 60.258 61.300 -0.502 0.000 1.068 439 I CB 2.401 40.239 38.000 -0.269 0.000 1.251 439 I HN 0.387 nan 8.210 nan 0.000 0.424 440 W N 5.235 126.478 121.300 -0.095 0.000 2.957 440 W HA 0.681 5.341 4.660 -0.000 0.000 0.336 440 W C -1.366 175.265 176.519 0.187 0.000 1.087 440 W CA -0.780 56.634 57.345 0.116 0.000 1.235 440 W CB 2.174 31.728 29.460 0.157 0.000 1.399 440 W HN 0.071 nan 8.180 nan 0.000 0.480 441 V N 2.146 122.350 119.914 0.484 0.000 2.925 441 V HA 0.479 4.599 4.120 -0.000 0.000 0.311 441 V C -0.459 175.617 176.094 -0.030 0.000 1.104 441 V CA -0.971 61.428 62.300 0.165 0.000 0.954 441 V CB 2.228 34.031 31.823 -0.033 0.000 1.022 441 V HN 0.620 nan 8.190 nan 0.000 0.427 442 N N 1.103 119.542 118.700 -0.435 0.000 2.277 442 N HA 0.684 5.424 4.740 -0.000 0.000 0.286 442 N C -0.219 175.135 175.510 -0.260 0.000 1.140 442 N CA 0.555 53.276 53.050 -0.548 0.000 0.799 442 N CB 2.592 40.219 38.487 -1.433 0.000 1.596 442 N HN 1.250 nan 8.380 nan 0.000 0.473 443 G N 1.932 110.649 108.800 -0.138 0.000 2.447 443 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.220 443 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.220 443 G C -3.084 171.785 174.900 -0.051 0.000 1.261 443 G CA -1.060 43.994 45.100 -0.077 0.000 1.000 443 G HN 0.444 nan 8.290 nan 0.000 0.515 444 P HA 0.410 nan 4.420 nan 0.000 0.261 444 P C 0.345 177.648 177.300 0.005 0.000 1.183 444 P CA 0.758 63.809 63.100 -0.081 0.000 0.761 444 P CB -0.217 31.468 31.700 -0.024 0.000 0.785 445 F N 0.821 120.675 119.950 -0.160 0.000 3.084 445 F HA -0.298 4.229 4.527 -0.000 0.000 0.286 445 F C 1.676 177.252 175.800 -0.373 0.000 0.855 445 F CA 0.812 58.586 58.000 -0.378 0.000 1.091 445 F CB -2.200 36.644 39.000 -0.260 0.000 1.177 445 F HN 0.399 nan 8.300 nan 0.000 0.542 446 A N -0.296 122.435 122.820 -0.147 0.000 2.019 446 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 446 A C 1.702 178.967 177.584 -0.532 0.000 1.164 446 A CA 1.790 53.758 52.037 -0.115 0.000 0.644 446 A CB -0.969 18.024 19.000 -0.012 0.000 0.805 446 A HN 0.802 nan 8.150 nan 0.000 0.449 447 H N -1.323 117.224 119.070 -0.872 0.000 2.562 447 H HA 0.290 4.846 4.556 -0.000 0.000 0.272 447 H C 1.102 176.239 175.328 -0.319 0.000 1.019 447 H CA 0.478 55.902 56.048 -1.040 0.000 1.160 447 H CB -0.562 28.762 29.762 -0.730 0.000 1.334 447 H HN 0.380 nan 8.280 nan 0.000 0.611 448 L N -0.408 120.497 121.223 -0.530 0.000 2.552 448 L HA 0.060 4.400 4.340 -0.000 0.000 0.227 448 L C -0.173 176.296 176.870 -0.668 0.000 1.146 448 L CA 0.253 54.778 54.840 -0.526 0.000 0.858 448 L CB -0.043 41.608 42.059 -0.681 0.000 0.969 448 L HN 0.277 nan 8.230 nan 0.000 0.451 449 F N -0.640 119.259 119.950 -0.084 0.000 2.366 449 F HA 0.186 4.713 4.527 -0.000 0.000 0.357 449 F C 1.142 177.115 175.800 0.288 0.000 1.107 449 F CA -0.436 57.595 58.000 0.051 0.000 1.208 449 F CB 0.715 39.740 39.000 0.042 0.000 1.464 449 F HN -0.141 nan 8.300 nan 0.000 0.501 450 T N -2.795 112.061 114.554 0.503 0.000 2.987 450 T HA 0.402 4.752 4.350 -0.000 0.000 0.248 450 T C 1.160 176.019 174.700 0.265 0.000 0.997 450 T CA 0.498 62.848 62.100 0.417 0.000 1.013 450 T CB 0.245 69.316 68.868 0.337 0.000 1.077 450 T HN 0.446 nan 8.240 nan 0.000 0.483 451 G N 1.251 110.145 108.800 0.156 0.000 3.414 451 G HA2 0.591 4.551 3.960 -0.000 0.000 0.196 451 G HA3 0.591 4.551 3.960 -0.000 0.000 0.196 451 G C -1.136 173.510 174.900 -0.422 0.000 1.486 451 G CA -0.286 44.702 45.100 -0.188 0.000 0.811 451 G HN 0.321 nan 8.290 nan 0.000 0.704 452 V N 0.572 120.037 119.914 -0.748 0.000 2.487 452 V HA 0.636 4.756 4.120 -0.000 0.000 0.298 452 V C -1.474 174.091 176.094 -0.881 0.000 1.028 452 V CA -0.536 61.422 62.300 -0.570 0.000 0.860 452 V CB 0.947 32.599 31.823 -0.285 0.000 0.991 452 V HN 0.489 nan 8.190 nan 0.000 0.427 453 Y N 0.904 121.149 120.300 -0.093 0.000 2.553 453 Y HA 0.505 5.055 4.550 -0.000 0.000 0.347 453 Y C 0.405 176.291 175.900 -0.023 0.000 1.019 453 Y CA -1.215 56.793 58.100 -0.153 0.000 1.032 453 Y CB 1.251 39.541 38.460 -0.283 0.000 1.284 453 Y HN 0.480 nan 8.280 nan 0.000 0.466 454 E N 1.238 121.525 120.200 0.145 0.000 2.415 454 E HA -0.066 4.284 4.350 -0.000 0.000 0.262 454 E C 0.727 177.439 176.600 0.186 0.000 1.038 454 E CA 0.087 56.552 56.400 0.107 0.000 0.921 454 E CB 0.933 30.674 29.700 0.067 0.000 0.950 454 E HN 0.884 nan 8.360 nan 0.000 0.438 455 E N 2.548 122.820 120.200 0.120 0.000 2.160 455 E HA -0.228 4.122 4.350 -0.000 0.000 0.195 455 E C 1.305 178.065 176.600 0.266 0.000 0.991 455 E CA 1.285 57.806 56.400 0.202 0.000 0.810 455 E CB 0.136 29.936 29.700 0.166 0.000 0.742 455 E HN 0.459 nan 8.360 nan 0.000 0.466 456 N N 0.027 118.850 118.700 0.204 0.000 2.494 456 N HA -0.201 4.539 4.740 -0.000 0.000 0.182 456 N C 1.695 177.404 175.510 0.332 0.000 1.076 456 N CA 0.599 53.789 53.050 0.233 0.000 0.908 456 N CB -0.599 37.981 38.487 0.156 0.000 0.967 456 N HN 0.321 nan 8.380 nan 0.000 0.449 457 Y N 1.822 122.223 120.300 0.168 0.000 2.207 457 Y HA -0.127 4.423 4.550 -0.000 0.000 0.287 457 Y C 2.106 178.136 175.900 0.216 0.000 1.156 457 Y CA 1.193 59.370 58.100 0.129 0.000 1.182 457 Y CB -0.308 38.196 38.460 0.074 0.000 0.979 457 Y HN -0.062 nan 8.280 nan 0.000 0.521 458 I N 1.102 121.859 120.570 0.311 0.000 2.068 458 I HA -0.335 3.835 4.170 -0.000 0.000 0.238 458 I C -0.442 175.793 176.117 0.196 0.000 1.046 458 I CA 2.169 63.659 61.300 0.316 0.000 1.306 458 I CB -1.588 36.663 38.000 0.418 0.000 1.023 458 I HN 0.216 nan 8.210 nan 0.000 0.399 459 P HA -0.150 nan 4.420 nan 0.000 0.223 459 P C 1.325 178.616 177.300 -0.014 0.000 1.151 459 P CA 1.664 64.846 63.100 0.137 0.000 0.787 459 P CB -0.340 31.417 31.700 0.095 0.000 0.788 460 H N -0.042 118.970 119.070 -0.096 0.000 2.395 460 H HA 0.057 4.613 4.556 -0.000 0.000 0.299 460 H C 2.022 177.199 175.328 -0.252 0.000 1.070 460 H CA 1.467 57.417 56.048 -0.163 0.000 1.356 460 H CB -0.306 29.343 29.762 -0.187 0.000 1.401 460 H HN 0.117 nan 8.280 nan 0.000 0.524 461 A N 1.320 123.928 122.820 -0.354 0.000 1.898 461 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 461 A C 2.631 180.153 177.584 -0.103 0.000 1.181 461 A CA 0.738 52.511 52.037 -0.440 0.000 0.620 461 A CB -0.804 17.632 19.000 -0.940 0.000 0.819 461 A HN 0.224 nan 8.150 nan 0.000 0.442 462 L N -0.716 120.543 121.223 0.060 0.000 2.042 462 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 462 L C 3.092 180.039 176.870 0.128 0.000 1.076 462 L CA 1.146 56.088 54.840 0.169 0.000 0.749 462 L CB -0.574 41.637 42.059 0.254 0.000 0.893 462 L HN 0.458 nan 8.230 nan 0.000 0.432 463 A N -0.778 122.083 122.820 0.069 0.000 1.930 463 A HA -0.280 4.040 4.320 -0.000 0.000 0.217 463 A C 2.180 179.740 177.584 -0.039 0.000 1.175 463 A CA 1.441 53.485 52.037 0.012 0.000 0.627 463 A CB -0.838 18.110 19.000 -0.086 0.000 0.815 463 A HN 0.490 nan 8.150 nan 0.000 0.443 464 Y N 0.641 120.848 120.300 -0.155 0.000 2.181 464 Y HA -0.099 4.451 4.550 -0.000 0.000 0.288 464 Y C 2.556 178.322 175.900 -0.224 0.000 1.146 464 Y CA 1.381 59.359 58.100 -0.204 0.000 1.164 464 Y CB -0.418 37.872 38.460 -0.283 0.000 0.982 464 Y HN 0.294 nan 8.280 nan 0.000 0.515 465 A N 0.167 122.955 122.820 -0.054 0.000 1.929 465 A HA 0.048 4.368 4.320 -0.000 0.000 0.216 465 A C 2.247 179.823 177.584 -0.013 0.000 1.176 465 A CA 1.395 53.380 52.037 -0.086 0.000 0.628 465 A CB -1.244 17.812 19.000 0.093 0.000 0.816 465 A HN 0.566 nan 8.150 nan 0.000 0.444 466 A N -2.063 120.762 122.820 0.008 0.000 2.208 466 A HA 0.295 4.615 4.320 -0.000 0.000 0.209 466 A C 1.094 178.605 177.584 -0.123 0.000 1.161 466 A CA 0.695 52.725 52.037 -0.012 0.000 0.782 466 A CB -1.151 17.880 19.000 0.052 0.000 0.816 466 A HN 1.068 nan 8.150 nan 0.000 0.477 467 c N -0.678 117.833 118.600 -0.148 0.000 4.209 467 c HA -0.023 4.547 4.570 -0.000 0.000 0.305 467 c C 0.608 174.574 174.090 -0.208 0.000 1.339 467 c CA 0.069 56.289 56.329 -0.181 0.000 2.062 467 c CB -3.487 38.947 42.510 -0.125 0.000 1.307 467 c HN 1.134 nan 8.230 nan 0.000 0.706 468 V N -1.959 117.826 119.914 -0.214 0.000 3.158 468 V HA 1.073 5.192 4.120 -0.000 0.000 0.311 468 V C 0.643 176.585 176.094 -0.252 0.000 1.181 468 V CA 0.550 62.728 62.300 -0.203 0.000 1.054 468 V CB 1.456 33.142 31.823 -0.228 0.000 1.085 468 V HN 2.449 nan 8.190 nan 0.000 0.446 469 G N 1.404 110.004 108.800 -0.334 0.000 2.760 469 G HA2 0.001 3.961 3.960 -0.000 0.000 0.246 469 G HA3 0.001 3.961 3.960 -0.000 0.000 0.246 469 G C 0.353 174.825 174.900 -0.714 0.000 1.359 469 G CA 0.461 44.965 45.100 -0.993 0.000 0.861 469 G HN 2.470 nan 8.290 nan 0.000 0.541 470 T N -1.626 112.441 114.554 -0.811 0.000 3.176 470 T HA 0.608 4.958 4.350 -0.000 0.000 0.263 470 T C 1.249 175.796 174.700 -0.256 0.000 1.021 470 T CA 1.089 62.938 62.100 -0.417 0.000 0.905 470 T CB 0.389 69.054 68.868 -0.340 0.000 1.057 470 T HN 1.848 nan 8.240 nan 0.000 0.558 471 G N 0.842 109.489 108.800 -0.255 0.000 2.531 471 G HA2 0.521 4.481 3.960 -0.000 0.000 0.281 471 G HA3 0.521 4.481 3.960 -0.000 0.000 0.281 471 G C -0.562 174.298 174.900 -0.067 0.000 1.382 471 G CA -1.318 43.719 45.100 -0.105 0.000 1.045 471 G HN 0.515 nan 8.290 nan 0.000 0.533 472 R N -1.023 119.486 120.500 0.015 0.000 2.543 472 R HA 0.423 4.763 4.340 -0.000 0.000 0.277 472 R C -0.796 175.582 176.300 0.131 0.000 1.074 472 R CA 0.293 56.439 56.100 0.077 0.000 1.076 472 R CB 0.279 30.652 30.300 0.121 0.000 0.993 472 R HN 0.376 nan 8.270 nan 0.000 0.459 473 T N 4.033 118.562 114.554 -0.042 0.000 2.912 473 T HA 0.149 4.499 4.350 -0.000 0.000 0.299 473 T C 0.193 174.416 174.700 -0.795 0.000 1.052 473 T CA -0.609 61.236 62.100 -0.423 0.000 0.996 473 T CB 1.025 69.730 68.868 -0.272 0.000 1.070 473 T HN 0.565 nan 8.240 nan 0.000 0.465 474 F N 1.886 120.932 119.950 -1.507 0.000 2.161 474 F HA -0.106 4.421 4.527 -0.000 0.000 0.300 474 F C 2.115 177.693 175.800 -0.369 0.000 1.089 474 F CA 1.445 58.859 58.000 -0.978 0.000 1.282 474 F CB -0.320 38.278 39.000 -0.670 0.000 1.010 474 F HN 0.609 nan 8.300 nan 0.000 0.485 475 c N 0.505 118.851 118.600 -0.423 0.000 2.539 475 c HA 0.017 4.587 4.570 -0.000 0.000 0.268 475 c C 1.066 174.977 174.090 -0.298 0.000 1.395 475 c CA -0.690 55.410 56.329 -0.381 0.000 1.757 475 c CB -1.595 40.797 42.510 -0.196 0.000 1.851 475 c HN 0.294 nan 8.230 nan 0.000 0.545 476 D N 0.000 120.242 120.400 -0.264 0.000 6.856 476 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 476 D CA 0.000 53.897 54.000 -0.171 0.000 0.868 476 D CB 0.000 40.727 40.800 -0.122 0.000 0.688 476 D HN 0.000 nan 8.370 nan 0.000 0.683