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 1nqh_1_A DATA FIRST_RESID 6 DATA SEQUENCE DTLVVTANRF EQPRSTVLAP TTVVTRQDID RWQSTSVNDV LRRLPGVDIT DATA SEQUENCE QNGGSGQLSS IFIRGTNASH VLVLIDGVRL NLAGVSGSAD LSQFPIALVQ DATA SEQUENCE RVEYIRGPRS AVYGSDAIGG VVNIITTRDE PGTEISAGWG SNSYQNYDVS DATA SEQUENCE TQQQLGDKTR VTLLGDYAHT HGYDVVAYGN TGTQAQTDND GFLSKTLYGA DATA SEQUENCE LEHNFTDAWS GFVRGYGYDN RTNYDAYYSP GSPLLDTRKL YSQSWDAGLR DATA SEQUENCE YNGELIKSQL ITSYSHSKDY NYDPHYGRYD SSATLDEMKQ YTVQWANNVI DATA SEQUENCE VGHGSIGAGV DWQKQTTTPX XXXXEDGYDQ RNTGIYLTGL QQVGDFTFEG DATA SEQUENCE AARSDDNSQF GRHGTWQTSA GWEFIEGYRF IASYGTSYKA PNLGQLYGFY DATA SEQUENCE GNPNLDPEKS KQWEGAFEGL TAGVNWRISG YRNDVSDLID YDDHTLKYYN DATA SEQUENCE EGKARIKGVE ATANFDTGPL THTVSYDYVD ARNAITDTPL LRRAKQQVKY DATA SEQUENCE QLDWQLYDFD WGITYQYLGT RYDKDYSSYP YQTVKMGGVS LWDLAVAYPV DATA SEQUENCE TSHLTVRGKI ANLFDKDYET VYGYQTAGRE YTLSGSYTF 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 6 D HA 0.000 nan 4.640 nan 0.000 0.175 6 D C 0.000 176.291 176.300 -0.014 0.000 2.045 6 D CA 0.000 53.988 54.000 -0.020 0.000 0.868 6 D CB 0.000 40.788 40.800 -0.021 0.000 0.688 7 T N -0.077 114.469 114.554 -0.012 0.000 3.523 7 T HA 0.306 4.653 4.350 -0.005 0.000 0.265 7 T C 1.371 176.068 174.700 -0.006 0.000 0.986 7 T CA -0.515 61.578 62.100 -0.011 0.000 1.616 7 T CB -0.007 68.852 68.868 -0.015 0.000 0.803 7 T HN 0.482 nan 8.240 nan 0.000 0.603 8 L N -0.048 121.175 121.223 -0.000 0.000 3.432 8 L HA -0.340 3.997 4.340 -0.005 0.000 0.082 8 L C 1.217 178.093 176.870 0.009 0.000 4.371 8 L CA 1.671 56.516 54.840 0.008 0.000 0.630 8 L CB -1.990 40.074 42.059 0.008 0.000 3.500 8 L HN 0.568 nan 8.230 nan 0.000 0.621 9 V N -0.959 118.957 119.914 0.004 0.000 3.706 9 V HA -0.199 3.918 4.120 -0.005 0.000 0.528 9 V C 0.341 176.446 176.094 0.019 0.000 0.682 9 V CA 1.168 63.471 62.300 0.006 0.000 2.086 9 V CB -0.032 31.793 31.823 0.002 0.000 2.492 9 V HN 0.763 nan 8.190 nan 0.000 0.516 10 V N 2.060 121.986 119.914 0.019 0.000 2.724 10 V HA 0.656 4.773 4.120 -0.005 0.000 0.341 10 V C 0.504 176.615 176.094 0.029 0.000 1.254 10 V CA 0.766 63.084 62.300 0.029 0.000 1.261 10 V CB 0.941 32.780 31.823 0.027 0.000 1.445 10 V HN 1.576 nan 8.190 nan 0.000 0.652 11 T N -2.326 112.253 114.554 0.042 0.000 3.332 11 T HA 0.533 4.880 4.350 -0.005 0.000 0.304 11 T C 1.181 175.967 174.700 0.145 0.000 0.971 11 T CA 0.987 63.143 62.100 0.093 0.000 0.954 11 T CB 1.025 69.915 68.868 0.037 0.000 1.175 11 T HN 0.796 nan 8.240 nan 0.000 0.519 12 A N 2.919 125.777 122.820 0.064 0.000 1.901 12 A HA 0.257 4.574 4.320 -0.005 0.000 0.210 12 A C 1.888 179.442 177.584 -0.049 0.000 1.208 12 A CA 0.955 53.012 52.037 0.032 0.000 0.644 12 A CB -0.414 18.589 19.000 0.005 0.000 0.863 12 A HN 0.776 nan 8.150 nan 0.000 0.454 13 N N -3.729 114.942 118.700 -0.048 0.000 2.197 13 N HA 0.142 4.879 4.740 -0.005 0.000 0.228 13 N C 0.743 176.170 175.510 -0.138 0.000 1.212 13 N CA -0.141 52.860 53.050 -0.081 0.000 0.883 13 N CB 0.687 39.200 38.487 0.042 0.000 1.107 13 N HN 0.072 nan 8.380 nan 0.000 0.519 14 R N -1.036 119.365 120.500 -0.165 0.000 3.198 14 R HA -0.087 4.250 4.340 -0.005 0.000 0.451 14 R C -1.168 174.803 176.300 -0.548 0.000 0.521 14 R CA 0.876 56.788 56.100 -0.314 0.000 1.453 14 R CB -1.772 28.266 30.300 -0.438 0.000 2.060 14 R HN 0.353 nan 8.270 nan 0.000 0.347 15 F N 1.382 121.360 119.950 0.048 0.000 2.557 15 F HA 0.419 4.943 4.527 -0.005 0.000 0.336 15 F C 1.228 177.044 175.800 0.027 0.000 1.058 15 F CA -0.838 57.185 58.000 0.039 0.000 0.988 15 F CB 0.797 39.814 39.000 0.029 0.000 1.275 15 F HN -0.209 nan 8.300 nan 0.000 0.488 16 E N 1.384 121.739 120.200 0.258 0.000 2.436 16 E HA 0.113 4.460 4.350 -0.005 0.000 0.262 16 E C -0.572 176.094 176.600 0.109 0.000 1.063 16 E CA 0.252 56.729 56.400 0.129 0.000 0.944 16 E CB 0.867 30.619 29.700 0.085 0.000 0.950 16 E HN 0.468 nan 8.360 nan 0.000 0.444 17 Q N 1.511 121.350 119.800 0.065 0.000 2.903 17 Q HA 0.224 4.561 4.340 -0.005 0.000 0.277 17 Q C -3.061 172.956 176.000 0.028 0.000 0.933 17 Q CA -1.430 54.402 55.803 0.049 0.000 0.822 17 Q CB 1.830 30.605 28.738 0.061 0.000 1.693 17 Q HN 0.134 nan 8.270 nan 0.000 0.447 18 P HA 0.357 nan 4.420 nan 0.000 0.296 18 P C -0.395 176.902 177.300 -0.005 0.000 1.306 18 P CA -0.390 62.714 63.100 0.006 0.000 0.818 18 P CB 1.088 32.791 31.700 0.006 0.000 0.969 19 R N 1.663 122.155 120.500 -0.014 0.000 2.080 19 R HA -0.179 4.158 4.340 -0.005 0.000 0.236 19 R C 2.262 178.538 176.300 -0.040 0.000 1.137 19 R CA 2.300 58.384 56.100 -0.027 0.000 0.943 19 R CB -1.165 29.116 30.300 -0.032 0.000 0.846 19 R HN 0.641 nan 8.270 nan 0.000 0.431 20 S N -0.064 115.610 115.700 -0.045 0.000 2.465 20 S HA -0.317 4.150 4.470 -0.005 0.000 0.263 20 S C 1.784 176.355 174.600 -0.048 0.000 1.135 20 S CA 2.353 60.520 58.200 -0.056 0.000 1.118 20 S CB -0.897 62.275 63.200 -0.048 0.000 0.994 20 S HN 0.425 nan 8.310 nan 0.000 0.455 21 T N 0.803 115.341 114.554 -0.027 0.000 3.244 21 T HA 0.510 4.857 4.350 -0.005 0.000 0.254 21 T C -0.429 174.261 174.700 -0.015 0.000 1.024 21 T CA -0.220 61.872 62.100 -0.014 0.000 0.920 21 T CB -0.421 68.454 68.868 0.011 0.000 1.042 21 T HN 0.251 nan 8.240 nan 0.000 0.572 22 V N 2.623 122.517 119.914 -0.034 0.000 2.407 22 V HA 0.382 4.499 4.120 -0.005 0.000 0.291 22 V C 0.897 176.953 176.094 -0.063 0.000 1.018 22 V CA -0.535 61.742 62.300 -0.039 0.000 0.842 22 V CB 1.649 33.448 31.823 -0.039 0.000 0.996 22 V HN 0.418 nan 8.190 nan 0.000 0.426 23 L N 3.545 124.728 121.223 -0.067 0.000 2.465 23 L HA 0.163 4.500 4.340 -0.005 0.000 0.224 23 L C 1.270 178.077 176.870 -0.105 0.000 1.145 23 L CA 0.959 55.743 54.840 -0.093 0.000 0.834 23 L CB -0.109 41.896 42.059 -0.090 0.000 0.944 23 L HN 0.749 nan 8.230 nan 0.000 0.451 24 A N -0.500 122.263 122.820 -0.096 0.000 2.281 24 A HA 0.660 4.977 4.320 -0.005 0.000 0.329 24 A C -2.480 175.036 177.584 -0.113 0.000 1.122 24 A CA -1.558 50.414 52.037 -0.107 0.000 0.850 24 A CB 0.350 19.283 19.000 -0.111 0.000 1.207 24 A HN -0.151 nan 8.150 nan 0.000 0.495 25 P HA 0.353 nan 4.420 nan 0.000 0.287 25 P C -0.450 176.734 177.300 -0.193 0.000 1.281 25 P CA 0.147 63.165 63.100 -0.137 0.000 0.781 25 P CB 1.204 32.830 31.700 -0.122 0.000 0.903 26 T N 0.057 114.517 114.554 -0.157 0.000 2.906 26 T HA 0.800 5.147 4.350 -0.005 0.000 0.295 26 T C -0.764 173.868 174.700 -0.114 0.000 1.075 26 T CA -0.535 61.468 62.100 -0.161 0.000 1.005 26 T CB 1.462 70.273 68.868 -0.096 0.000 1.136 26 T HN 0.169 nan 8.240 nan 0.000 0.498 27 T N 0.956 115.465 114.554 -0.075 0.000 2.932 27 T HA 0.644 4.991 4.350 -0.005 0.000 0.318 27 T C -1.326 173.406 174.700 0.053 0.000 1.265 27 T CA -0.614 61.489 62.100 0.005 0.000 1.036 27 T CB 1.760 70.657 68.868 0.049 0.000 1.209 27 T HN 0.788 nan 8.240 nan 0.000 0.484 28 V N 2.094 122.042 119.914 0.057 0.000 2.841 28 V HA 0.703 4.820 4.120 -0.005 0.000 0.310 28 V C -0.778 175.343 176.094 0.044 0.000 1.090 28 V CA -0.755 61.571 62.300 0.043 0.000 0.930 28 V CB 2.242 34.070 31.823 0.010 0.000 1.014 28 V HN 0.725 nan 8.190 nan 0.000 0.425 29 V N 3.107 123.036 119.914 0.025 0.000 2.540 29 V HA 0.669 4.786 4.120 -0.005 0.000 0.302 29 V C 0.347 176.388 176.094 -0.089 0.000 1.035 29 V CA -0.272 62.016 62.300 -0.019 0.000 0.873 29 V CB 2.287 34.136 31.823 0.044 0.000 0.992 29 V HN 1.089 nan 8.190 nan 0.000 0.428 30 T N 1.994 116.451 114.554 -0.162 0.000 2.922 30 T HA 0.464 4.811 4.350 -0.005 0.000 0.281 30 T C 1.057 175.638 174.700 -0.198 0.000 1.005 30 T CA -0.610 61.398 62.100 -0.154 0.000 0.982 30 T CB 1.642 70.426 68.868 -0.141 0.000 1.158 30 T HN 0.398 nan 8.240 nan 0.000 0.566 31 R N 0.011 120.419 120.500 -0.154 0.000 2.082 31 R HA -0.096 4.241 4.340 -0.005 0.000 0.228 31 R C 2.546 178.725 176.300 -0.201 0.000 1.140 31 R CA 1.731 57.737 56.100 -0.156 0.000 0.920 31 R CB -0.974 29.259 30.300 -0.112 0.000 0.828 31 R HN 0.788 nan 8.270 nan 0.000 0.430 32 Q N 0.412 120.107 119.800 -0.175 0.000 2.105 32 Q HA -0.267 4.070 4.340 -0.005 0.000 0.217 32 Q C 1.672 177.486 176.000 -0.310 0.000 1.029 32 Q CA 2.319 58.006 55.803 -0.193 0.000 0.899 32 Q CB -0.312 28.330 28.738 -0.160 0.000 1.000 32 Q HN 0.368 nan 8.270 nan 0.000 0.414 33 D N 0.025 120.171 120.400 -0.423 0.000 2.156 33 D HA -0.205 4.432 4.640 -0.005 0.000 0.190 33 D C 1.933 177.641 176.300 -0.987 0.000 0.998 33 D CA 1.467 54.972 54.000 -0.824 0.000 0.842 33 D CB -0.563 39.684 40.800 -0.922 0.000 0.974 33 D HN 0.330 nan 8.370 nan 0.000 0.447 34 I N 1.224 121.399 120.570 -0.658 0.000 2.335 34 I HA -0.238 3.929 4.170 -0.005 0.000 0.251 34 I C 1.832 177.855 176.117 -0.157 0.000 1.129 34 I CA 1.065 62.168 61.300 -0.327 0.000 1.402 34 I CB -0.282 37.623 38.000 -0.157 0.000 1.069 34 I HN -0.030 nan 8.210 nan 0.000 0.424 35 D N 0.650 120.943 120.400 -0.177 0.000 2.123 35 D HA -0.103 4.534 4.640 -0.005 0.000 0.200 35 D C 2.292 178.555 176.300 -0.061 0.000 0.976 35 D CA 0.746 54.696 54.000 -0.083 0.000 0.831 35 D CB -0.205 40.546 40.800 -0.081 0.000 0.974 35 D HN 0.273 nan 8.370 nan 0.000 0.469 36 R N 0.360 120.777 120.500 -0.137 0.000 2.113 36 R HA -0.179 4.158 4.340 -0.005 0.000 0.244 36 R C 2.101 178.478 176.300 0.127 0.000 1.142 36 R CA 0.996 57.064 56.100 -0.054 0.000 0.953 36 R CB -0.633 29.601 30.300 -0.110 0.000 0.860 36 R HN 0.351 nan 8.270 nan 0.000 0.438 37 W N 0.763 122.063 121.300 -0.001 0.000 2.800 37 W HA 0.041 4.698 4.660 -0.005 0.000 0.249 37 W C 0.956 177.483 176.519 0.013 0.000 1.294 37 W CA -0.015 57.336 57.345 0.010 0.000 1.402 37 W CB -0.442 29.023 29.460 0.009 0.000 1.126 37 W HN 0.332 nan 8.180 nan 0.000 0.652 38 Q N -0.633 119.294 119.800 0.211 0.000 2.406 38 Q HA -0.210 4.127 4.340 -0.005 0.000 0.236 38 Q C 0.443 176.526 176.000 0.138 0.000 0.799 38 Q CA 0.723 56.611 55.803 0.142 0.000 1.286 38 Q CB -1.614 27.199 28.738 0.124 0.000 1.615 38 Q HN -0.057 nan 8.270 nan 0.000 0.621 39 S N 0.049 115.862 115.700 0.188 0.000 2.643 39 S HA -0.046 4.421 4.470 -0.005 0.000 0.310 39 S C 1.157 175.810 174.600 0.089 0.000 1.253 39 S CA 1.021 59.307 58.200 0.142 0.000 1.047 39 S CB 0.488 63.809 63.200 0.201 0.000 0.767 39 S HN 0.449 nan 8.310 nan 0.000 0.498 40 T N -1.716 112.870 114.554 0.053 0.000 3.091 40 T HA 0.410 4.757 4.350 -0.005 0.000 0.277 40 T C 0.144 174.873 174.700 0.050 0.000 0.996 40 T CA 0.034 62.159 62.100 0.042 0.000 0.897 40 T CB -0.018 68.828 68.868 -0.037 0.000 1.109 40 T HN 0.685 nan 8.240 nan 0.000 0.534 41 S N -0.623 115.105 115.700 0.046 0.000 2.567 41 S HA 0.485 4.952 4.470 -0.005 0.000 0.270 41 S C 0.616 175.239 174.600 0.038 0.000 1.152 41 S CA -0.476 57.748 58.200 0.040 0.000 0.835 41 S CB 1.237 64.444 63.200 0.012 0.000 1.115 41 S HN -0.138 nan 8.310 nan 0.000 0.459 42 V N 2.162 122.097 119.914 0.035 0.000 2.392 42 V HA -0.156 3.961 4.120 -0.005 0.000 0.249 42 V C 2.536 178.616 176.094 -0.023 0.000 1.059 42 V CA 2.231 64.534 62.300 0.006 0.000 1.051 42 V CB -1.160 30.656 31.823 -0.012 0.000 0.658 42 V HN 0.895 nan 8.190 nan 0.000 0.455 43 N N 0.201 118.881 118.700 -0.034 0.000 2.192 43 N HA -0.216 4.521 4.740 -0.005 0.000 0.188 43 N C 1.622 177.105 175.510 -0.044 0.000 1.013 43 N CA 1.944 54.962 53.050 -0.054 0.000 0.863 43 N CB -0.355 38.097 38.487 -0.058 0.000 0.990 43 N HN 0.671 nan 8.380 nan 0.000 0.430 44 D N -0.244 120.146 120.400 -0.017 0.000 2.091 44 D HA -0.041 4.596 4.640 -0.005 0.000 0.199 44 D C 1.974 178.255 176.300 -0.031 0.000 0.980 44 D CA 0.651 54.639 54.000 -0.019 0.000 0.831 44 D CB 0.020 40.829 40.800 0.014 0.000 0.987 44 D HN -0.081 nan 8.370 nan 0.000 0.460 45 V N 0.819 120.763 119.914 0.050 0.000 2.231 45 V HA -0.264 3.853 4.120 -0.005 0.000 0.248 45 V C 2.725 178.827 176.094 0.014 0.000 1.054 45 V CA 1.512 63.891 62.300 0.132 0.000 1.015 45 V CB -0.661 31.277 31.823 0.191 0.000 0.638 45 V HN 0.344 nan 8.190 nan 0.000 0.444 46 L N 0.442 121.641 121.223 -0.040 0.000 2.013 46 L HA -0.238 4.099 4.340 -0.005 0.000 0.212 46 L C 2.876 179.680 176.870 -0.110 0.000 1.073 46 L CA 2.330 57.104 54.840 -0.110 0.000 0.753 46 L CB -0.817 41.142 42.059 -0.166 0.000 0.890 46 L HN 0.481 nan 8.230 nan 0.000 0.432 47 R N 0.801 121.237 120.500 -0.106 0.000 2.200 47 R HA -0.186 4.151 4.340 -0.005 0.000 0.234 47 R C 2.008 178.238 176.300 -0.116 0.000 1.127 47 R CA 1.284 57.322 56.100 -0.104 0.000 0.989 47 R CB -0.457 29.781 30.300 -0.103 0.000 0.869 47 R HN 0.392 nan 8.270 nan 0.000 0.459 48 R N 0.773 121.181 120.500 -0.154 0.000 2.148 48 R HA 0.109 4.446 4.340 -0.005 0.000 0.227 48 R C 0.803 177.059 176.300 -0.073 0.000 1.103 48 R CA 0.721 56.708 56.100 -0.187 0.000 0.983 48 R CB -0.251 29.817 30.300 -0.387 0.000 0.874 48 R HN 0.214 nan 8.270 nan 0.000 0.451 49 L N 1.016 122.238 121.223 -0.000 0.000 2.431 49 L HA 0.370 4.707 4.340 -0.005 0.000 0.260 49 L C -2.209 174.748 176.870 0.144 0.000 1.098 49 L CA -2.665 52.244 54.840 0.115 0.000 0.800 49 L CB -0.004 42.199 42.059 0.240 0.000 1.210 49 L HN -0.305 nan 8.230 nan 0.000 0.465 50 P HA 0.058 nan 4.420 nan 0.000 0.266 50 P C 0.665 178.092 177.300 0.212 0.000 1.195 50 P CA 0.685 63.870 63.100 0.141 0.000 0.768 50 P CB 0.658 32.411 31.700 0.089 0.000 0.838 51 G N 0.834 109.716 108.800 0.138 0.000 2.168 51 G HA2 -0.214 3.743 3.960 -0.005 0.000 0.263 51 G HA3 -0.214 3.743 3.960 -0.005 0.000 0.263 51 G C -0.001 174.989 174.900 0.150 0.000 0.977 51 G CA -0.039 45.157 45.100 0.159 0.000 0.659 51 G HN 0.519 nan 8.290 nan 0.000 0.533 52 V N 0.941 120.914 119.914 0.098 0.000 2.394 52 V HA 0.590 4.707 4.120 -0.005 0.000 0.282 52 V C -0.387 175.716 176.094 0.016 0.000 1.031 52 V CA -0.634 61.679 62.300 0.022 0.000 0.881 52 V CB 1.829 33.618 31.823 -0.057 0.000 0.982 52 V HN 0.285 nan 8.190 nan 0.000 0.451 53 D N 4.543 124.979 120.400 0.059 0.000 2.492 53 D HA 0.511 5.148 4.640 -0.005 0.000 0.248 53 D C -0.762 175.622 176.300 0.141 0.000 1.101 53 D CA -0.278 53.773 54.000 0.085 0.000 0.840 53 D CB 1.250 42.111 40.800 0.100 0.000 1.209 53 D HN 0.260 nan 8.370 nan 0.000 0.524 54 I N 2.052 122.664 120.570 0.070 0.000 2.693 54 I HA 0.478 4.645 4.170 -0.005 0.000 0.303 54 I C 0.306 176.472 176.117 0.082 0.000 1.025 54 I CA -0.655 60.675 61.300 0.049 0.000 1.086 54 I CB 1.931 39.921 38.000 -0.016 0.000 1.268 54 I HN 0.376 nan 8.210 nan 0.000 0.440 55 T N 1.719 116.317 114.554 0.072 0.000 2.883 55 T HA 0.596 4.943 4.350 -0.005 0.000 0.301 55 T C -0.849 173.850 174.700 -0.003 0.000 1.158 55 T CA -0.899 61.242 62.100 0.069 0.000 1.007 55 T CB 2.818 71.774 68.868 0.147 0.000 1.186 55 T HN 0.598 nan 8.240 nan 0.000 0.499 56 Q N 0.428 120.218 119.800 -0.017 0.000 2.284 56 Q HA 0.341 4.678 4.340 -0.005 0.000 0.269 56 Q C -0.584 175.375 176.000 -0.068 0.000 1.026 56 Q CA -0.741 55.029 55.803 -0.055 0.000 0.831 56 Q CB 1.704 30.421 28.738 -0.035 0.000 1.322 56 Q HN 0.627 nan 8.270 nan 0.000 0.419 57 N N 1.959 120.572 118.700 -0.145 0.000 2.581 57 N HA 0.096 4.833 4.740 -0.005 0.000 0.230 57 N C 0.185 175.801 175.510 0.176 0.000 1.310 57 N CA 0.992 53.934 53.050 -0.180 0.000 0.886 57 N CB 0.590 38.880 38.487 -0.329 0.000 1.205 57 N HN 0.816 nan 8.380 nan 0.000 0.488 58 G N -1.257 107.600 108.800 0.094 0.000 2.217 58 G HA2 -0.040 3.917 3.960 -0.005 0.000 0.173 58 G HA3 -0.040 3.917 3.960 -0.005 0.000 0.173 58 G C 0.043 174.951 174.900 0.013 0.000 1.324 58 G CA -0.387 44.760 45.100 0.079 0.000 1.225 58 G HN 0.395 nan 8.290 nan 0.000 0.494 59 G N -0.415 108.327 108.800 -0.096 0.000 2.695 59 G HA2 0.551 4.507 3.960 -0.005 0.000 0.213 59 G HA3 0.551 4.507 3.960 -0.005 0.000 0.213 59 G C 0.575 175.403 174.900 -0.119 0.000 1.406 59 G CA 0.942 46.016 45.100 -0.044 0.000 1.049 59 G HN 1.414 nan 8.290 nan 0.000 0.573 60 S N -0.773 114.865 115.700 -0.103 0.000 2.558 60 S HA 0.360 4.827 4.470 -0.005 0.000 0.287 60 S C 1.494 175.897 174.600 -0.328 0.000 1.321 60 S CA 1.257 59.373 58.200 -0.141 0.000 1.048 60 S CB 0.574 63.782 63.200 0.013 0.000 0.844 60 S HN 1.936 nan 8.310 nan 0.000 0.512 61 G N 1.800 110.193 108.800 -0.679 0.000 2.304 61 G HA2 -0.228 3.729 3.960 -0.005 0.000 0.252 61 G HA3 -0.228 3.729 3.960 -0.005 0.000 0.252 61 G C 0.018 174.570 174.900 -0.580 0.000 1.014 61 G CA 0.121 44.501 45.100 -1.200 0.000 0.619 61 G HN 0.675 nan 8.290 nan 0.000 0.525 62 Q N 0.917 120.513 119.800 -0.340 0.000 2.354 62 Q HA 0.517 4.854 4.340 -0.005 0.000 0.244 62 Q C 1.055 176.931 176.000 -0.206 0.000 0.969 62 Q CA -0.698 54.978 55.803 -0.212 0.000 0.885 62 Q CB 1.376 30.041 28.738 -0.121 0.000 1.241 62 Q HN 0.442 nan 8.270 nan 0.000 0.461 63 L N 1.802 122.913 121.223 -0.187 0.000 2.536 63 L HA -0.083 4.254 4.340 -0.005 0.000 0.294 63 L C 0.169 176.942 176.870 -0.163 0.000 1.257 63 L CA 0.953 55.684 54.840 -0.181 0.000 0.850 63 L CB 0.306 42.255 42.059 -0.184 0.000 1.105 63 L HN 0.977 nan 8.230 nan 0.000 0.517 64 S N 1.894 117.502 115.700 -0.154 0.000 2.671 64 S HA 0.728 5.195 4.470 -0.005 0.000 0.277 64 S C -0.964 173.536 174.600 -0.168 0.000 1.165 64 S CA -0.809 57.306 58.200 -0.142 0.000 0.822 64 S CB 2.146 65.271 63.200 -0.126 0.000 1.150 64 S HN 0.552 nan 8.310 nan 0.000 0.479 65 S N -0.035 115.556 115.700 -0.181 0.000 2.543 65 S HA 0.613 5.080 4.470 -0.005 0.000 0.271 65 S C -1.429 172.945 174.600 -0.376 0.000 1.148 65 S CA -0.653 57.356 58.200 -0.319 0.000 0.914 65 S CB 0.865 63.888 63.200 -0.294 0.000 1.096 65 S HN 0.660 nan 8.310 nan 0.000 0.471 66 I N 3.003 123.253 120.570 -0.533 0.000 2.436 66 I HA 0.456 4.622 4.170 -0.005 0.000 0.289 66 I C -1.516 174.303 176.117 -0.497 0.000 1.010 66 I CA -0.576 60.500 61.300 -0.372 0.000 1.098 66 I CB 1.391 39.224 38.000 -0.277 0.000 1.266 66 I HN 0.522 nan 8.210 nan 0.000 0.434 67 F N 6.528 126.440 119.950 -0.062 0.000 2.363 67 F HA 0.398 4.922 4.527 -0.005 0.000 0.366 67 F C 0.162 175.950 175.800 -0.021 0.000 1.083 67 F CA -0.906 57.070 58.000 -0.039 0.000 1.176 67 F CB 0.232 39.209 39.000 -0.038 0.000 1.432 67 F HN 0.139 nan 8.300 nan 0.000 0.482 68 I N 3.160 123.788 120.570 0.096 0.000 2.742 68 I HA -0.062 4.105 4.170 -0.005 0.000 0.287 68 I C 1.217 177.406 176.117 0.120 0.000 1.186 68 I CA 0.122 61.486 61.300 0.107 0.000 1.417 68 I CB -0.239 37.814 38.000 0.088 0.000 1.377 68 I HN 0.650 nan 8.210 nan 0.000 0.556 69 R N 4.610 125.193 120.500 0.137 0.000 3.013 69 R HA -0.257 4.080 4.340 -0.005 0.000 0.232 69 R C 1.178 177.570 176.300 0.154 0.000 0.854 69 R CA 0.574 56.782 56.100 0.179 0.000 0.580 69 R CB -2.040 28.323 30.300 0.106 0.000 1.030 69 R HN 1.108 nan 8.270 nan 0.000 0.489 70 G N -1.022 107.862 108.800 0.140 0.000 2.184 70 G HA2 -0.405 3.552 3.960 -0.005 0.000 0.264 70 G HA3 -0.405 3.552 3.960 -0.005 0.000 0.264 70 G C 0.437 175.417 174.900 0.134 0.000 0.975 70 G CA 0.725 45.887 45.100 0.103 0.000 0.642 70 G HN 0.774 nan 8.290 nan 0.000 0.536 71 T N -1.670 112.985 114.554 0.169 0.000 2.754 71 T HA 0.442 4.789 4.350 -0.005 0.000 0.286 71 T C 0.668 175.515 174.700 0.246 0.000 0.997 71 T CA 0.147 62.371 62.100 0.207 0.000 0.982 71 T CB 1.401 70.392 68.868 0.205 0.000 1.027 71 T HN 0.489 nan 8.240 nan 0.000 0.529 72 N N -0.554 118.212 118.700 0.111 0.000 2.381 72 N HA 0.240 4.977 4.740 -0.005 0.000 0.254 72 N C 1.209 176.657 175.510 -0.103 0.000 1.264 72 N CA -0.232 52.804 53.050 -0.023 0.000 0.942 72 N CB 0.853 39.114 38.487 -0.375 0.000 1.190 72 N HN 0.780 nan 8.380 nan 0.000 0.495 73 A N 0.357 123.035 122.820 -0.236 0.000 2.235 73 A HA -0.005 4.312 4.320 -0.005 0.000 0.208 73 A C 1.377 178.808 177.584 -0.254 0.000 1.172 73 A CA 0.829 52.580 52.037 -0.477 0.000 0.786 73 A CB -0.354 18.230 19.000 -0.693 0.000 0.804 73 A HN 0.686 nan 8.150 nan 0.000 0.479 74 S N -2.296 113.308 115.700 -0.161 0.000 2.559 74 S HA 0.140 4.607 4.470 -0.005 0.000 0.226 74 S C 0.606 175.275 174.600 0.116 0.000 1.000 74 S CA -0.217 57.946 58.200 -0.063 0.000 0.948 74 S CB -0.695 62.464 63.200 -0.068 0.000 0.870 74 S HN 0.712 nan 8.310 nan 0.000 0.497 75 H N 0.534 119.550 119.070 -0.089 0.000 2.610 75 H HA 0.505 5.058 4.556 -0.005 0.000 0.302 75 H C -0.447 174.828 175.328 -0.088 0.000 1.063 75 H CA -0.223 55.780 56.048 -0.075 0.000 1.159 75 H CB 0.523 30.262 29.762 -0.038 0.000 1.427 75 H HN 0.200 nan 8.280 nan 0.000 0.553 76 V N 1.838 121.751 119.914 -0.002 0.000 2.823 76 V HA 0.238 4.355 4.120 -0.005 0.000 0.312 76 V C -1.195 174.844 176.094 -0.091 0.000 1.072 76 V CA -1.057 61.206 62.300 -0.061 0.000 0.937 76 V CB 2.431 34.202 31.823 -0.086 0.000 1.013 76 V HN 0.159 nan 8.190 nan 0.000 0.430 77 L N 7.399 128.555 121.223 -0.112 0.000 2.265 77 L HA 0.643 4.980 4.340 -0.005 0.000 0.289 77 L C -0.714 176.061 176.870 -0.159 0.000 1.033 77 L CA 0.142 54.899 54.840 -0.139 0.000 0.814 77 L CB 1.379 43.335 42.059 -0.172 0.000 1.203 77 L HN 0.430 nan 8.230 nan 0.000 0.423 78 V N 6.974 126.798 119.914 -0.150 0.000 2.350 78 V HA 0.398 4.515 4.120 -0.005 0.000 0.276 78 V C 0.162 176.155 176.094 -0.167 0.000 1.028 78 V CA -0.430 61.770 62.300 -0.167 0.000 0.860 78 V CB 0.996 32.727 31.823 -0.153 0.000 0.990 78 V HN 0.628 nan 8.190 nan 0.000 0.453 79 L N 5.861 126.963 121.223 -0.202 0.000 2.307 79 L HA 0.605 4.942 4.340 -0.005 0.000 0.284 79 L C -0.464 176.312 176.870 -0.156 0.000 1.023 79 L CA -0.569 54.164 54.840 -0.179 0.000 0.810 79 L CB 1.754 43.666 42.059 -0.244 0.000 1.231 79 L HN 0.391 nan 8.230 nan 0.000 0.423 80 I N 2.468 122.986 120.570 -0.085 0.000 2.321 80 I HA 0.194 4.361 4.170 -0.005 0.000 0.291 80 I C -0.179 175.959 176.117 0.035 0.000 0.998 80 I CA -0.206 61.064 61.300 -0.050 0.000 1.227 80 I CB 1.217 39.249 38.000 0.052 0.000 1.368 80 I HN 0.672 nan 8.210 nan 0.000 0.466 81 D N 5.628 126.036 120.400 0.014 0.000 2.708 81 D HA -0.185 4.451 4.640 -0.005 0.000 0.236 81 D C 1.228 177.567 176.300 0.065 0.000 1.146 81 D CA 1.685 55.716 54.000 0.052 0.000 0.662 81 D CB -0.826 40.051 40.800 0.128 0.000 1.059 81 D HN 1.148 nan 8.370 nan 0.000 0.428 82 G N -2.777 106.031 108.800 0.014 0.000 2.194 82 G HA2 -0.226 3.731 3.960 -0.005 0.000 0.236 82 G HA3 -0.226 3.731 3.960 -0.005 0.000 0.236 82 G C 0.225 175.149 174.900 0.039 0.000 0.987 82 G CA 0.123 45.245 45.100 0.037 0.000 0.635 82 G HN 0.692 nan 8.290 nan 0.000 0.520 83 V N 1.019 120.952 119.914 0.032 0.000 2.638 83 V HA 0.549 4.666 4.120 -0.005 0.000 0.306 83 V C 0.887 176.993 176.094 0.019 0.000 1.052 83 V CA -1.081 61.255 62.300 0.060 0.000 0.885 83 V CB 1.777 33.678 31.823 0.130 0.000 0.999 83 V HN 0.471 nan 8.190 nan 0.000 0.424 84 R N 2.374 122.879 120.500 0.008 0.000 2.566 84 R HA 0.049 4.386 4.340 -0.005 0.000 0.273 84 R C 1.112 177.417 176.300 0.009 0.000 0.981 84 R CA 0.149 56.239 56.100 -0.017 0.000 1.091 84 R CB 0.260 30.559 30.300 -0.001 0.000 0.924 84 R HN 0.766 nan 8.270 nan 0.000 0.411 85 L N 2.904 124.123 121.223 -0.006 0.000 1.908 85 L HA -0.247 4.090 4.340 -0.005 0.000 0.227 85 L C 1.140 178.040 176.870 0.049 0.000 1.087 85 L CA 1.899 56.758 54.840 0.032 0.000 0.797 85 L CB -0.124 41.943 42.059 0.014 0.000 0.893 85 L HN 0.917 nan 8.230 nan 0.000 0.432 86 N N -1.104 117.614 118.700 0.029 0.000 3.694 86 N HA -0.090 4.647 4.740 -0.005 0.000 0.128 86 N C -0.640 174.880 175.510 0.017 0.000 0.907 86 N CA 0.133 53.197 53.050 0.023 0.000 3.017 86 N CB -1.119 37.383 38.487 0.024 0.000 1.162 86 N HN 0.235 nan 8.380 nan 0.000 0.793 87 L N 0.704 121.934 121.223 0.012 0.000 2.771 87 L HA 0.380 4.717 4.340 -0.005 0.000 0.278 87 L C 0.877 177.743 176.870 -0.006 0.000 1.175 87 L CA 0.410 55.250 54.840 0.000 0.000 0.973 87 L CB -0.227 41.821 42.059 -0.018 0.000 1.286 87 L HN 0.127 nan 8.230 nan 0.000 0.481 88 A N 3.216 126.031 122.820 -0.009 0.000 2.302 88 A HA 0.876 5.193 4.320 -0.005 0.000 0.285 88 A C 0.856 178.429 177.584 -0.019 0.000 1.105 88 A CA 0.410 52.440 52.037 -0.013 0.000 0.816 88 A CB 0.627 19.615 19.000 -0.020 0.000 1.067 88 A HN 1.542 nan 8.150 nan 0.000 0.489 89 G N -1.369 107.421 108.800 -0.016 0.000 2.337 89 G HA2 0.262 4.219 3.960 -0.005 0.000 0.197 89 G HA3 0.262 4.219 3.960 -0.005 0.000 0.197 89 G C 0.049 174.940 174.900 -0.014 0.000 1.238 89 G CA 0.296 45.385 45.100 -0.018 0.000 1.119 89 G HN 2.247 nan 8.290 nan 0.000 0.514 90 V N -2.146 117.759 119.914 -0.015 0.000 2.666 90 V HA 0.777 4.894 4.120 -0.005 0.000 0.306 90 V C -0.053 176.026 176.094 -0.025 0.000 1.156 90 V CA 0.820 63.113 62.300 -0.012 0.000 1.274 90 V CB 0.156 31.981 31.823 0.004 0.000 1.536 90 V HN 1.716 nan 8.190 nan 0.000 0.640 91 S N 0.272 115.951 115.700 -0.035 0.000 2.548 91 S HA 0.562 5.028 4.470 -0.005 0.000 0.168 91 S C 1.151 175.718 174.600 -0.056 0.000 1.068 91 S CA -0.038 58.133 58.200 -0.049 0.000 1.129 91 S CB 0.669 63.838 63.200 -0.052 0.000 1.435 91 S HN 1.364 nan 8.310 nan 0.000 0.410 92 G N 3.069 111.842 108.800 -0.045 0.000 3.351 92 G HA2 -0.426 3.531 3.960 -0.005 0.000 0.389 92 G HA3 -0.426 3.531 3.960 -0.005 0.000 0.389 92 G C 0.537 175.395 174.900 -0.069 0.000 2.097 92 G CA 1.297 46.370 45.100 -0.045 0.000 2.376 92 G HN 1.366 nan 8.290 nan 0.000 0.948 93 S N 0.680 116.322 115.700 -0.097 0.000 3.332 93 S HA 0.189 4.656 4.470 -0.005 0.000 0.398 93 S C 1.165 175.705 174.600 -0.099 0.000 1.174 93 S CA 0.876 59.001 58.200 -0.126 0.000 0.953 93 S CB 0.799 63.918 63.200 -0.135 0.000 0.664 93 S HN 1.552 nan 8.310 nan 0.000 0.491 94 A N 2.672 125.426 122.820 -0.110 0.000 2.011 94 A HA 0.395 4.712 4.320 -0.005 0.000 0.204 94 A C 0.632 178.169 177.584 -0.080 0.000 1.520 94 A CA 0.647 52.637 52.037 -0.079 0.000 0.819 94 A CB -0.116 18.835 19.000 -0.081 0.000 1.087 94 A HN 1.186 nan 8.150 nan 0.000 0.526 95 D N -0.497 119.836 120.400 -0.112 0.000 4.248 95 D HA -0.118 4.519 4.640 -0.005 0.000 0.248 95 D C -0.580 175.681 176.300 -0.066 0.000 1.056 95 D CA 0.454 54.389 54.000 -0.109 0.000 1.191 95 D CB -1.476 39.255 40.800 -0.115 0.000 0.870 95 D HN 0.322 nan 8.370 nan 0.000 0.410 96 L N 2.486 123.665 121.223 -0.073 0.000 2.682 96 L HA 0.077 4.414 4.340 -0.005 0.000 0.240 96 L C 2.324 179.184 176.870 -0.016 0.000 1.178 96 L CA 0.537 55.364 54.840 -0.022 0.000 0.970 96 L CB -0.309 41.704 42.059 -0.076 0.000 1.179 96 L HN 0.451 nan 8.230 nan 0.000 0.435 97 S N -1.473 114.182 115.700 -0.074 0.000 2.481 97 S HA -0.091 4.376 4.470 -0.005 0.000 0.231 97 S C 1.676 176.194 174.600 -0.136 0.000 0.996 97 S CA 0.394 58.511 58.200 -0.138 0.000 0.942 97 S CB -0.025 63.037 63.200 -0.230 0.000 0.768 97 S HN 0.457 nan 8.310 nan 0.000 0.520 98 Q N -0.105 119.682 119.800 -0.023 0.000 2.384 98 Q HA 0.365 4.702 4.340 -0.005 0.000 0.207 98 Q C -0.346 175.652 176.000 -0.004 0.000 0.904 98 Q CA -0.063 55.779 55.803 0.065 0.000 0.933 98 Q CB -0.006 28.823 28.738 0.150 0.000 1.077 98 Q HN 0.678 nan 8.270 nan 0.000 0.522 99 F N 3.887 123.762 119.950 -0.126 0.000 2.421 99 F HA 0.317 4.841 4.527 -0.005 0.000 0.358 99 F C -2.193 173.413 175.800 -0.323 0.000 1.115 99 F CA -2.716 55.110 58.000 -0.291 0.000 1.160 99 F CB 0.976 39.897 39.000 -0.132 0.000 1.123 99 F HN -0.156 nan 8.300 nan 0.000 0.508 100 P HA -0.006 nan 4.420 nan 0.000 0.268 100 P C 0.527 177.733 177.300 -0.157 0.000 1.204 100 P CA 0.089 62.863 63.100 -0.543 0.000 0.768 100 P CB 0.828 32.101 31.700 -0.712 0.000 0.842 101 I N 3.194 123.750 120.570 -0.023 0.000 3.059 101 I HA -0.011 4.156 4.170 -0.005 0.000 0.270 101 I C 1.842 177.960 176.117 0.002 0.000 1.238 101 I CA 0.910 62.241 61.300 0.052 0.000 1.478 101 I CB -0.827 37.202 38.000 0.048 0.000 1.097 101 I HN 0.368 nan 8.210 nan 0.000 0.455 102 A N -0.142 122.644 122.820 -0.057 0.000 2.178 102 A HA -0.078 4.239 4.320 -0.005 0.000 0.218 102 A C 1.840 179.355 177.584 -0.115 0.000 1.157 102 A CA 1.041 53.034 52.037 -0.073 0.000 0.689 102 A CB -0.634 18.318 19.000 -0.081 0.000 0.787 102 A HN 0.385 nan 8.150 nan 0.000 0.465 103 L N -0.733 120.425 121.223 -0.108 0.000 2.558 103 L HA 0.158 4.495 4.340 -0.005 0.000 0.225 103 L C 0.453 177.257 176.870 -0.111 0.000 1.128 103 L CA 0.616 55.356 54.840 -0.167 0.000 0.868 103 L CB 0.005 41.973 42.059 -0.150 0.000 1.006 103 L HN 0.104 nan 8.230 nan 0.000 0.454 104 V N 0.675 120.565 119.914 -0.040 0.000 2.385 104 V HA 0.162 4.279 4.120 -0.005 0.000 0.269 104 V C 0.919 176.965 176.094 -0.080 0.000 1.043 104 V CA -0.345 61.931 62.300 -0.039 0.000 0.906 104 V CB 1.367 33.180 31.823 -0.018 0.000 0.995 104 V HN 0.270 nan 8.190 nan 0.000 0.467 105 Q N 3.451 123.194 119.800 -0.094 0.000 2.392 105 Q HA 0.272 4.609 4.340 -0.005 0.000 0.219 105 Q C 0.738 176.687 176.000 -0.085 0.000 0.895 105 Q CA 0.380 56.127 55.803 -0.095 0.000 0.929 105 Q CB 0.802 29.481 28.738 -0.098 0.000 1.077 105 Q HN 0.745 nan 8.270 nan 0.000 0.532 106 R N -0.511 119.942 120.500 -0.079 0.000 2.633 106 R HA 0.441 4.778 4.340 -0.005 0.000 0.255 106 R C -1.799 174.461 176.300 -0.066 0.000 1.106 106 R CA -0.198 55.860 56.100 -0.071 0.000 0.959 106 R CB 1.222 31.485 30.300 -0.061 0.000 1.259 106 R HN -0.128 nan 8.270 nan 0.000 0.453 107 V N 2.623 122.508 119.914 -0.049 0.000 2.667 107 V HA 0.527 4.644 4.120 -0.005 0.000 0.308 107 V C -0.362 175.729 176.094 -0.005 0.000 1.048 107 V CA -0.664 61.611 62.300 -0.042 0.000 0.928 107 V CB 1.872 33.677 31.823 -0.029 0.000 1.004 107 V HN 0.758 nan 8.190 nan 0.000 0.444 108 E N 2.392 122.592 120.200 0.001 0.000 2.246 108 E HA 0.457 4.804 4.350 -0.005 0.000 0.266 108 E C -2.078 174.571 176.600 0.082 0.000 0.880 108 E CA -0.618 55.799 56.400 0.029 0.000 0.762 108 E CB 2.608 32.307 29.700 -0.001 0.000 1.180 108 E HN 0.640 nan 8.360 nan 0.000 0.416 109 Y N 4.487 124.759 120.300 -0.047 0.000 2.332 109 Y HA 0.474 5.020 4.550 -0.005 0.000 0.325 109 Y C -1.854 174.021 175.900 -0.042 0.000 1.054 109 Y CA -0.913 57.156 58.100 -0.052 0.000 1.119 109 Y CB 0.759 39.194 38.460 -0.041 0.000 1.168 109 Y HN 0.424 nan 8.280 nan 0.000 0.439 110 I N 7.677 128.162 120.570 -0.143 0.000 2.478 110 I HA 0.504 4.671 4.170 -0.005 0.000 0.287 110 I C -0.653 175.298 176.117 -0.276 0.000 1.042 110 I CA -1.076 60.075 61.300 -0.249 0.000 1.067 110 I CB 1.665 39.606 38.000 -0.099 0.000 1.233 110 I HN 0.525 nan 8.210 nan 0.000 0.431 111 R N 4.273 124.547 120.500 -0.377 0.000 2.532 111 R HA 0.834 5.170 4.340 -0.005 0.000 0.272 111 R C 0.258 176.444 176.300 -0.191 0.000 1.032 111 R CA -0.572 55.356 56.100 -0.286 0.000 1.089 111 R CB 1.278 31.400 30.300 -0.296 0.000 1.098 111 R HN 0.871 nan 8.270 nan 0.000 0.526 112 G N 1.068 109.761 108.800 -0.178 0.000 2.603 112 G HA2 -0.138 3.819 3.960 -0.005 0.000 0.686 112 G HA3 -0.138 3.819 3.960 -0.005 0.000 0.686 112 G C -3.004 171.790 174.900 -0.176 0.000 1.286 112 G CA -1.190 43.787 45.100 -0.205 0.000 0.871 112 G HN 0.416 nan 8.290 nan 0.000 0.568 113 P HA 0.480 nan 4.420 nan 0.000 0.271 113 P C 0.118 177.326 177.300 -0.154 0.000 1.218 113 P CA 0.044 63.023 63.100 -0.201 0.000 0.780 113 P CB 0.783 32.320 31.700 -0.272 0.000 0.901 114 R N 0.758 121.186 120.500 -0.120 0.000 2.481 114 R HA 0.185 4.521 4.340 -0.005 0.000 0.396 114 R C 0.729 176.993 176.300 -0.060 0.000 0.950 114 R CA 0.146 56.203 56.100 -0.072 0.000 1.095 114 R CB -0.302 30.014 30.300 0.027 0.000 1.472 114 R HN 0.268 nan 8.270 nan 0.000 0.628 115 S N -0.229 115.406 115.700 -0.110 0.000 2.447 115 S HA -0.066 4.401 4.470 -0.005 0.000 0.233 115 S C 1.673 176.245 174.600 -0.048 0.000 1.006 115 S CA 1.087 59.224 58.200 -0.105 0.000 0.957 115 S CB 0.289 63.379 63.200 -0.183 0.000 0.773 115 S HN 0.515 nan 8.310 nan 0.000 0.507 116 A N 0.394 123.181 122.820 -0.054 0.000 2.239 116 A HA 0.200 4.517 4.320 -0.005 0.000 0.209 116 A C 1.734 179.223 177.584 -0.157 0.000 1.171 116 A CA 0.555 52.579 52.037 -0.022 0.000 0.768 116 A CB -0.197 18.823 19.000 0.033 0.000 0.790 116 A HN 0.353 nan 8.150 nan 0.000 0.478 117 V N -2.914 116.810 119.914 -0.317 0.000 2.996 117 V HA 0.037 4.154 4.120 -0.005 0.000 0.235 117 V C 1.602 177.246 176.094 -0.750 0.000 1.205 117 V CA 0.855 62.704 62.300 -0.752 0.000 1.225 117 V CB -0.384 30.930 31.823 -0.847 0.000 0.995 117 V HN 0.636 nan 8.190 nan 0.000 0.484 118 Y N 0.203 120.359 120.300 -0.240 0.000 2.458 118 Y HA 0.495 5.042 4.550 -0.005 0.000 0.254 118 Y C 1.667 177.513 175.900 -0.090 0.000 1.120 118 Y CA 0.530 58.531 58.100 -0.165 0.000 1.282 118 Y CB 0.940 39.313 38.460 -0.146 0.000 1.109 118 Y HN 0.379 nan 8.280 nan 0.000 0.526 119 G N 0.500 109.323 108.800 0.039 0.000 2.514 119 G HA2 -0.320 3.637 3.960 -0.005 0.000 0.265 119 G HA3 -0.320 3.637 3.960 -0.005 0.000 0.265 119 G C -0.119 174.603 174.900 -0.297 0.000 1.150 119 G CA -0.108 45.000 45.100 0.014 0.000 0.959 119 G HN 0.245 nan 8.290 nan 0.000 0.556 120 S N 1.247 116.751 115.700 -0.325 0.000 2.565 120 S HA 0.487 4.954 4.470 -0.005 0.000 0.276 120 S C 0.939 175.351 174.600 -0.314 0.000 1.326 120 S CA 1.134 58.972 58.200 -0.604 0.000 1.045 120 S CB 0.332 63.444 63.200 -0.146 0.000 0.918 120 S HN 1.263 nan 8.310 nan 0.000 0.505 121 D N 1.290 121.483 120.400 -0.345 0.000 1.931 121 D HA -0.161 4.476 4.640 -0.005 0.000 0.201 121 D C 0.470 176.652 176.300 -0.197 0.000 1.305 121 D CA 1.227 55.104 54.000 -0.205 0.000 1.398 121 D CB -1.934 38.797 40.800 -0.115 0.000 1.389 121 D HN 0.755 nan 8.370 nan 0.000 0.614 122 A N 1.280 123.981 122.820 -0.198 0.000 3.196 122 A HA 0.269 4.586 4.320 -0.005 0.000 0.275 122 A C 1.647 179.117 177.584 -0.191 0.000 2.036 122 A CA 0.492 52.438 52.037 -0.152 0.000 1.503 122 A CB -1.315 17.627 19.000 -0.097 0.000 0.918 122 A HN 0.486 nan 8.150 nan 0.000 0.599 123 I N -0.221 120.231 120.570 -0.197 0.000 2.947 123 I HA 0.030 4.197 4.170 -0.005 0.000 0.263 123 I C 2.453 178.477 176.117 -0.155 0.000 1.130 123 I CA 1.057 62.230 61.300 -0.213 0.000 1.448 123 I CB -0.364 37.440 38.000 -0.326 0.000 1.222 123 I HN 0.530 nan 8.210 nan 0.000 0.453 124 G N 0.522 109.265 108.800 -0.095 0.000 2.426 124 G HA2 0.366 4.323 3.960 -0.005 0.000 0.214 124 G HA3 0.366 4.323 3.960 -0.005 0.000 0.214 124 G C 0.718 175.576 174.900 -0.070 0.000 1.156 124 G CA 0.861 45.919 45.100 -0.070 0.000 0.802 124 G HN 0.548 nan 8.290 nan 0.000 0.534 125 G N -2.111 106.665 108.800 -0.040 0.000 2.345 125 G HA2 0.397 4.354 3.960 -0.005 0.000 0.285 125 G HA3 0.397 4.354 3.960 -0.005 0.000 0.285 125 G C -2.140 172.770 174.900 0.018 0.000 1.297 125 G CA -0.044 45.054 45.100 -0.003 0.000 0.875 125 G HN 0.617 nan 8.290 nan 0.000 0.506 126 V N -0.457 119.498 119.914 0.068 0.000 2.760 126 V HA 0.675 4.792 4.120 -0.005 0.000 0.309 126 V C -0.625 175.494 176.094 0.041 0.000 1.077 126 V CA -0.624 61.665 62.300 -0.018 0.000 0.910 126 V CB 1.976 33.747 31.823 -0.086 0.000 1.008 126 V HN 0.896 nan 8.190 nan 0.000 0.424 127 V N 4.111 123.979 119.914 -0.077 0.000 2.376 127 V HA 0.468 4.585 4.120 -0.005 0.000 0.287 127 V C -0.382 175.622 176.094 -0.150 0.000 1.015 127 V CA -0.695 61.548 62.300 -0.094 0.000 0.834 127 V CB 1.687 33.392 31.823 -0.198 0.000 1.001 127 V HN 0.832 nan 8.190 nan 0.000 0.428 128 N N 5.151 123.779 118.700 -0.119 0.000 2.444 128 N HA 0.497 5.234 4.740 -0.005 0.000 0.262 128 N C -0.952 174.478 175.510 -0.134 0.000 0.974 128 N CA -0.264 52.699 53.050 -0.145 0.000 0.933 128 N CB 1.091 39.502 38.487 -0.126 0.000 1.137 128 N HN 0.628 nan 8.380 nan 0.000 0.498 129 I N 3.966 124.427 120.570 -0.183 0.000 2.359 129 I HA 0.382 4.549 4.170 -0.005 0.000 0.294 129 I C -0.090 175.935 176.117 -0.154 0.000 0.987 129 I CA -0.704 60.472 61.300 -0.207 0.000 1.225 129 I CB 1.176 38.954 38.000 -0.370 0.000 1.366 129 I HN 0.384 nan 8.210 nan 0.000 0.466 130 I N 4.812 125.315 120.570 -0.112 0.000 2.406 130 I HA 0.185 4.352 4.170 -0.005 0.000 0.290 130 I C 1.002 177.078 176.117 -0.068 0.000 0.999 130 I CA -0.186 61.071 61.300 -0.070 0.000 1.124 130 I CB 2.126 40.092 38.000 -0.056 0.000 1.289 130 I HN 0.621 nan 8.210 nan 0.000 0.441 131 T N -0.565 113.965 114.554 -0.041 0.000 3.060 131 T HA 0.065 4.412 4.350 -0.005 0.000 0.249 131 T C 0.766 175.412 174.700 -0.089 0.000 1.079 131 T CA 0.044 62.101 62.100 -0.073 0.000 1.013 131 T CB 0.053 68.920 68.868 -0.001 0.000 0.975 131 T HN 0.471 nan 8.240 nan 0.000 0.518 132 T N 3.196 117.728 114.554 -0.036 0.000 2.767 132 T HA 0.485 4.832 4.350 -0.005 0.000 0.288 132 T C -0.005 174.667 174.700 -0.047 0.000 0.963 132 T CA -0.998 61.091 62.100 -0.018 0.000 1.019 132 T CB 0.510 69.372 68.868 -0.011 0.000 0.923 132 T HN 0.530 nan 8.240 nan 0.000 0.468 133 R N 2.994 123.466 120.500 -0.047 0.000 2.758 133 R HA 0.690 5.027 4.340 -0.005 0.000 0.265 133 R C -1.281 175.004 176.300 -0.025 0.000 1.016 133 R CA -0.941 55.132 56.100 -0.045 0.000 1.040 133 R CB 1.158 31.422 30.300 -0.061 0.000 1.152 133 R HN 0.423 nan 8.270 nan 0.000 0.503 134 D N 0.398 120.782 120.400 -0.027 0.000 2.736 134 D HA 0.218 4.855 4.640 -0.005 0.000 0.243 134 D C -1.528 174.758 176.300 -0.022 0.000 1.304 134 D CA -0.204 53.785 54.000 -0.018 0.000 0.934 134 D CB 1.409 42.201 40.800 -0.014 0.000 1.382 134 D HN 0.668 nan 8.370 nan 0.000 0.571 135 E N 3.542 123.730 120.200 -0.020 0.000 2.644 135 E HA 0.189 4.536 4.350 -0.005 0.000 0.271 135 E C -3.060 173.528 176.600 -0.021 0.000 1.143 135 E CA -0.498 55.888 56.400 -0.023 0.000 0.570 135 E CB 0.189 29.870 29.700 -0.032 0.000 1.136 135 E HN 0.223 nan 8.360 nan 0.000 0.428 136 P HA 0.815 nan 4.420 nan 0.000 0.278 136 P C 0.071 177.355 177.300 -0.025 0.000 1.258 136 P CA 0.533 63.622 63.100 -0.019 0.000 0.811 136 P CB 1.421 33.111 31.700 -0.016 0.000 1.063 137 G N -0.442 108.333 108.800 -0.041 0.000 2.331 137 G HA2 0.376 4.333 3.960 -0.005 0.000 0.402 137 G HA3 0.376 4.333 3.960 -0.005 0.000 0.402 137 G C -1.238 173.606 174.900 -0.093 0.000 1.275 137 G CA -0.180 44.882 45.100 -0.063 0.000 1.003 137 G HN 0.781 nan 8.290 nan 0.000 0.500 138 T N -2.463 112.002 114.554 -0.149 0.000 2.903 138 T HA 0.811 5.157 4.350 -0.005 0.000 0.299 138 T C -0.936 173.738 174.700 -0.044 0.000 1.093 138 T CA -0.329 61.673 62.100 -0.163 0.000 1.002 138 T CB 2.834 71.491 68.868 -0.351 0.000 1.127 138 T HN 0.928 nan 8.240 nan 0.000 0.488 139 E N 1.227 121.460 120.200 0.055 0.000 2.321 139 E HA 0.598 4.945 4.350 -0.005 0.000 0.278 139 E C -1.217 175.497 176.600 0.190 0.000 0.902 139 E CA -0.796 55.708 56.400 0.173 0.000 0.758 139 E CB 1.931 31.688 29.700 0.095 0.000 1.213 139 E HN 0.671 nan 8.360 nan 0.000 0.426 140 I N 1.724 122.449 120.570 0.258 0.000 2.910 140 I HA 0.594 4.761 4.170 -0.005 0.000 0.310 140 I C -0.430 175.782 176.117 0.158 0.000 1.043 140 I CA -0.623 60.786 61.300 0.182 0.000 1.053 140 I CB 2.021 40.114 38.000 0.155 0.000 1.242 140 I HN 0.635 nan 8.210 nan 0.000 0.452 141 S N 1.493 117.272 115.700 0.132 0.000 2.686 141 S HA 0.827 5.294 4.470 -0.005 0.000 0.273 141 S C -0.880 173.805 174.600 0.143 0.000 1.060 141 S CA -0.502 57.773 58.200 0.126 0.000 0.845 141 S CB 1.627 64.896 63.200 0.114 0.000 1.086 141 S HN 1.212 nan 8.310 nan 0.000 0.461 142 A N -0.137 122.769 122.820 0.143 0.000 2.696 142 A HA 0.992 5.309 4.320 -0.005 0.000 0.296 142 A C -0.281 177.402 177.584 0.166 0.000 1.043 142 A CA -0.184 51.956 52.037 0.171 0.000 0.574 142 A CB 0.068 19.215 19.000 0.244 0.000 1.509 142 A HN 2.421 nan 8.150 nan 0.000 0.670 143 G N -2.007 106.898 108.800 0.176 0.000 2.600 143 G HA2 0.628 4.585 3.960 -0.005 0.000 0.293 143 G HA3 0.628 4.585 3.960 -0.005 0.000 0.293 143 G C -1.655 173.407 174.900 0.270 0.000 1.408 143 G CA 0.312 45.550 45.100 0.231 0.000 0.782 143 G HN 2.015 nan 8.290 nan 0.000 0.482 144 W N 0.275 121.662 121.300 0.146 0.000 3.107 144 W HA 0.739 5.396 4.660 -0.005 0.000 0.331 144 W C -0.348 176.364 176.519 0.322 0.000 1.204 144 W CA -0.251 57.167 57.345 0.122 0.000 1.184 144 W CB 1.400 30.907 29.460 0.079 0.000 1.421 144 W HN 1.639 nan 8.180 nan 0.000 0.544 145 G N 0.791 109.675 108.800 0.140 0.000 2.392 145 G HA2 0.096 4.052 3.960 -0.005 0.000 0.260 145 G HA3 0.096 4.052 3.960 -0.005 0.000 0.260 145 G C -0.356 174.483 174.900 -0.103 0.000 1.226 145 G CA -0.087 45.025 45.100 0.020 0.000 0.913 145 G HN 0.395 nan 8.290 nan 0.000 0.483 146 S N 0.078 115.801 115.700 0.039 0.000 2.609 146 S HA -0.009 4.458 4.470 -0.005 0.000 0.250 146 S C 0.680 175.275 174.600 -0.007 0.000 0.974 146 S CA 1.191 59.412 58.200 0.035 0.000 0.962 146 S CB -0.671 62.572 63.200 0.071 0.000 0.756 146 S HN 0.402 nan 8.310 nan 0.000 0.539 147 N N -0.026 118.656 118.700 -0.030 0.000 2.666 147 N HA 0.103 4.840 4.740 -0.005 0.000 0.253 147 N C -0.522 174.886 175.510 -0.170 0.000 1.621 147 N CA -0.179 52.840 53.050 -0.050 0.000 0.785 147 N CB 0.977 39.494 38.487 0.048 0.000 1.332 147 N HN -0.009 nan 8.380 nan 0.000 0.514 148 S N -0.132 115.378 115.700 -0.316 0.000 3.521 148 S HA -0.299 4.168 4.470 -0.005 0.000 0.362 148 S C 0.058 174.529 174.600 -0.214 0.000 1.044 148 S CA 0.691 58.635 58.200 -0.427 0.000 1.091 148 S CB -2.010 60.778 63.200 -0.686 0.000 0.908 148 S HN 0.689 nan 8.310 nan 0.000 0.473 149 Y N 2.013 122.175 120.300 -0.229 0.000 2.397 149 Y HA 0.521 5.068 4.550 -0.005 0.000 0.335 149 Y C 0.143 176.040 175.900 -0.006 0.000 1.213 149 Y CA -0.033 58.006 58.100 -0.103 0.000 1.391 149 Y CB 0.530 38.950 38.460 -0.067 0.000 1.293 149 Y HN 0.468 nan 8.280 nan 0.000 0.557 150 Q N 4.869 124.052 119.800 -1.028 0.000 2.479 150 Q HA 0.270 4.607 4.340 -0.005 0.000 0.276 150 Q C -2.280 173.410 176.000 -0.517 0.000 0.989 150 Q CA -0.867 54.596 55.803 -0.567 0.000 0.864 150 Q CB 1.764 30.510 28.738 0.013 0.000 1.444 150 Q HN 0.980 nan 8.270 nan 0.000 0.388 151 N N 2.141 120.719 118.700 -0.202 0.000 2.371 151 N HA 0.397 5.134 4.740 -0.005 0.000 0.280 151 N C -1.979 173.635 175.510 0.175 0.000 1.084 151 N CA -0.073 52.945 53.050 -0.052 0.000 0.892 151 N CB 1.773 40.228 38.487 -0.052 0.000 1.653 151 N HN 0.591 nan 8.380 nan 0.000 0.480 152 Y N -0.031 120.377 120.300 0.179 0.000 2.588 152 Y HA 0.749 5.296 4.550 -0.005 0.000 0.343 152 Y C -1.490 174.476 175.900 0.110 0.000 1.065 152 Y CA -0.877 57.290 58.100 0.112 0.000 1.038 152 Y CB 1.893 40.385 38.460 0.053 0.000 1.297 152 Y HN 0.374 nan 8.280 nan 0.000 0.467 153 D N 0.719 121.278 120.400 0.265 0.000 2.746 153 D HA 0.406 5.043 4.640 -0.005 0.000 0.211 153 D C -2.175 174.204 176.300 0.132 0.000 1.242 153 D CA -0.167 53.926 54.000 0.155 0.000 0.790 153 D CB 2.533 43.397 40.800 0.106 0.000 1.744 153 D HN 0.566 nan 8.370 nan 0.000 0.520 154 V N 2.156 122.134 119.914 0.106 0.000 2.588 154 V HA 0.727 4.843 4.120 -0.005 0.000 0.304 154 V C -0.047 176.081 176.094 0.056 0.000 1.042 154 V CA -0.630 61.722 62.300 0.087 0.000 0.877 154 V CB 1.628 33.502 31.823 0.085 0.000 0.996 154 V HN 0.579 nan 8.190 nan 0.000 0.425 155 S N 3.080 118.807 115.700 0.044 0.000 2.548 155 S HA 0.874 5.341 4.470 -0.005 0.000 0.286 155 S C -0.790 173.806 174.600 -0.007 0.000 1.098 155 S CA -0.286 57.923 58.200 0.015 0.000 0.930 155 S CB 2.222 65.420 63.200 -0.003 0.000 1.070 155 S HN 0.975 nan 8.310 nan 0.000 0.480 156 T N 1.909 116.455 114.554 -0.012 0.000 2.942 156 T HA 0.511 4.858 4.350 -0.005 0.000 0.327 156 T C -1.982 172.713 174.700 -0.009 0.000 1.360 156 T CA -0.499 61.581 62.100 -0.032 0.000 1.055 156 T CB 1.742 70.581 68.868 -0.049 0.000 1.261 156 T HN 0.887 nan 8.240 nan 0.000 0.485 157 Q N 2.725 122.515 119.800 -0.017 0.000 2.397 157 Q HA 0.763 5.100 4.340 -0.005 0.000 0.275 157 Q C -1.712 174.282 176.000 -0.010 0.000 1.090 157 Q CA -0.674 55.130 55.803 0.003 0.000 0.809 157 Q CB 1.908 30.649 28.738 0.005 0.000 1.362 157 Q HN 0.644 nan 8.270 nan 0.000 0.431 158 Q N 1.360 121.162 119.800 0.003 0.000 2.633 158 Q HA 0.310 4.647 4.340 -0.005 0.000 0.289 158 Q C -1.316 174.689 176.000 0.008 0.000 0.940 158 Q CA -0.939 54.862 55.803 -0.004 0.000 0.785 158 Q CB 1.688 30.421 28.738 -0.008 0.000 1.467 158 Q HN 0.692 nan 8.270 nan 0.000 0.401 159 Q N 0.799 120.601 119.800 0.003 0.000 2.214 159 Q HA 0.513 4.850 4.340 -0.005 0.000 0.251 159 Q C -0.709 175.298 176.000 0.011 0.000 0.936 159 Q CA -0.724 55.084 55.803 0.008 0.000 0.894 159 Q CB 1.179 29.917 28.738 0.000 0.000 1.252 159 Q HN 0.310 nan 8.270 nan 0.000 0.448 160 L N 1.653 122.887 121.223 0.018 0.000 2.387 160 L HA 0.354 4.691 4.340 -0.005 0.000 0.259 160 L C 0.631 177.512 176.870 0.018 0.000 1.050 160 L CA 0.251 55.103 54.840 0.021 0.000 0.922 160 L CB 0.606 42.683 42.059 0.031 0.000 1.280 160 L HN 0.892 nan 8.230 nan 0.000 0.449 161 G N 1.583 110.389 108.800 0.011 0.000 2.740 161 G HA2 -0.217 3.740 3.960 -0.005 0.000 0.250 161 G HA3 -0.217 3.740 3.960 -0.005 0.000 0.250 161 G C -0.365 174.533 174.900 -0.002 0.000 1.358 161 G CA -0.435 44.669 45.100 0.007 0.000 0.897 161 G HN 0.511 nan 8.290 nan 0.000 0.567 162 D N 1.091 121.485 120.400 -0.010 0.000 2.361 162 D HA 0.271 4.908 4.640 -0.005 0.000 0.239 162 D C 1.476 177.733 176.300 -0.071 0.000 1.200 162 D CA 0.660 54.642 54.000 -0.030 0.000 0.915 162 D CB 0.345 41.131 40.800 -0.023 0.000 1.170 162 D HN 1.100 nan 8.370 nan 0.000 0.444 163 K N -2.451 117.883 120.400 -0.111 0.000 3.184 163 K HA -0.230 4.087 4.320 -0.005 0.000 0.301 163 K C -0.516 175.910 176.600 -0.291 0.000 1.170 163 K CA 1.353 57.493 56.287 -0.244 0.000 0.897 163 K CB -2.203 30.081 32.500 -0.359 0.000 1.218 163 K HN 0.396 nan 8.250 nan 0.000 0.441 164 T N 0.886 115.382 114.554 -0.095 0.000 2.916 164 T HA 0.551 4.898 4.350 -0.005 0.000 0.298 164 T C -0.909 173.804 174.700 0.023 0.000 1.031 164 T CA -0.946 61.155 62.100 0.002 0.000 0.993 164 T CB 1.786 70.701 68.868 0.078 0.000 1.045 164 T HN 0.447 nan 8.240 nan 0.000 0.454 165 R N 0.426 120.954 120.500 0.047 0.000 2.740 165 R HA 0.898 5.235 4.340 -0.005 0.000 0.273 165 R C -1.727 174.614 176.300 0.069 0.000 0.998 165 R CA -0.939 55.188 56.100 0.045 0.000 0.900 165 R CB 1.282 31.601 30.300 0.031 0.000 1.223 165 R HN 0.370 nan 8.270 nan 0.000 0.466 166 V N 0.148 120.099 119.914 0.062 0.000 3.074 166 V HA 0.730 4.847 4.120 -0.005 0.000 0.314 166 V C -0.599 175.542 176.094 0.079 0.000 1.117 166 V CA -0.857 61.490 62.300 0.078 0.000 1.014 166 V CB 2.395 34.257 31.823 0.066 0.000 1.057 166 V HN 0.962 nan 8.190 nan 0.000 0.438 167 T N 3.153 117.774 114.554 0.112 0.000 3.395 167 T HA 0.596 4.943 4.350 -0.005 0.000 0.330 167 T C -1.068 173.738 174.700 0.178 0.000 1.076 167 T CA -0.370 61.809 62.100 0.131 0.000 1.070 167 T CB 0.855 69.830 68.868 0.179 0.000 1.119 167 T HN 0.532 nan 8.240 nan 0.000 0.462 168 L N 3.727 125.028 121.223 0.130 0.000 2.370 168 L HA 0.871 5.208 4.340 -0.005 0.000 0.266 168 L C -1.346 175.590 176.870 0.111 0.000 1.002 168 L CA -1.422 53.508 54.840 0.151 0.000 0.818 168 L CB 2.045 44.164 42.059 0.100 0.000 1.325 168 L HN 0.399 nan 8.230 nan 0.000 0.418 169 L N 1.356 122.662 121.223 0.138 0.000 2.493 169 L HA 0.910 5.247 4.340 -0.005 0.000 0.265 169 L C -0.825 176.102 176.870 0.095 0.000 0.954 169 L CA -0.169 54.711 54.840 0.068 0.000 0.844 169 L CB 1.694 43.732 42.059 -0.036 0.000 1.302 169 L HN 0.599 nan 8.230 nan 0.000 0.405 170 G N 2.519 111.365 108.800 0.077 0.000 2.482 170 G HA2 0.655 4.612 3.960 -0.005 0.000 0.317 170 G HA3 0.655 4.612 3.960 -0.005 0.000 0.317 170 G C -1.838 173.103 174.900 0.069 0.000 1.241 170 G CA -0.292 44.856 45.100 0.080 0.000 0.967 170 G HN 0.841 nan 8.290 nan 0.000 0.482 171 D N -0.439 119.993 120.400 0.054 0.000 2.878 171 D HA 0.268 4.905 4.640 -0.005 0.000 0.211 171 D C -2.208 174.086 176.300 -0.010 0.000 1.271 171 D CA -0.444 53.574 54.000 0.029 0.000 0.845 171 D CB 2.518 43.313 40.800 -0.008 0.000 1.679 171 D HN 0.334 nan 8.370 nan 0.000 0.536 172 Y N 2.214 122.397 120.300 -0.195 0.000 2.373 172 Y HA 0.655 5.202 4.550 -0.005 0.000 0.336 172 Y C -1.567 174.141 175.900 -0.320 0.000 0.979 172 Y CA -0.294 57.613 58.100 -0.323 0.000 1.080 172 Y CB 1.503 39.575 38.460 -0.646 0.000 1.190 172 Y HN 0.551 nan 8.280 nan 0.000 0.446 173 A N 4.372 126.676 122.820 -0.860 0.000 2.527 173 A HA 0.802 5.119 4.320 -0.005 0.000 0.293 173 A C -2.099 174.981 177.584 -0.840 0.000 1.117 173 A CA -0.639 51.017 52.037 -0.635 0.000 0.723 173 A CB 1.632 20.471 19.000 -0.267 0.000 1.313 173 A HN 0.972 nan 8.150 nan 0.000 0.411 174 H N -0.932 117.817 119.070 -0.534 0.000 3.094 174 H HA 0.680 5.233 4.556 -0.005 0.000 0.346 174 H C -1.015 174.280 175.328 -0.055 0.000 1.238 174 H CA 0.605 56.448 56.048 -0.342 0.000 1.209 174 H CB 1.869 31.474 29.762 -0.263 0.000 1.911 174 H HN 1.081 nan 8.280 nan 0.000 0.540 175 T N 1.909 115.913 114.554 -0.916 0.000 2.802 175 T HA 0.244 4.591 4.350 -0.005 0.000 0.311 175 T C -0.402 174.105 174.700 -0.323 0.000 1.405 175 T CA -0.452 61.397 62.100 -0.417 0.000 1.016 175 T CB 1.112 69.976 68.868 -0.007 0.000 1.352 175 T HN 0.734 nan 8.240 nan 0.000 0.498 176 H N 1.349 120.312 119.070 -0.179 0.000 2.520 176 H HA 0.466 5.019 4.556 -0.005 0.000 0.279 176 H C 1.616 176.915 175.328 -0.048 0.000 0.990 176 H CA 1.093 57.106 56.048 -0.059 0.000 1.288 176 H CB -0.254 29.529 29.762 0.034 0.000 1.446 176 H HN 1.134 nan 8.280 nan 0.000 0.538 177 G N -0.075 108.784 108.800 0.097 0.000 2.593 177 G HA2 -0.200 3.757 3.960 -0.005 0.000 0.237 177 G HA3 -0.200 3.757 3.960 -0.005 0.000 0.237 177 G C -0.663 174.325 174.900 0.146 0.000 1.312 177 G CA -0.046 45.075 45.100 0.034 0.000 0.896 177 G HN 0.535 nan 8.290 nan 0.000 0.574 178 Y N -1.936 118.368 120.300 0.007 0.000 2.638 178 Y HA 0.768 5.315 4.550 -0.005 0.000 0.339 178 Y C -0.231 175.659 175.900 -0.017 0.000 1.084 178 Y CA -1.006 57.091 58.100 -0.005 0.000 1.068 178 Y CB 1.024 39.471 38.460 -0.021 0.000 1.294 178 Y HN 0.600 nan 8.280 nan 0.000 0.480 179 D N 0.657 121.153 120.400 0.160 0.000 2.345 179 D HA 0.115 4.752 4.640 -0.005 0.000 0.247 179 D C 0.118 176.480 176.300 0.103 0.000 1.108 179 D CA 0.101 54.127 54.000 0.043 0.000 0.894 179 D CB 2.056 42.871 40.800 0.025 0.000 1.203 179 D HN 0.665 nan 8.370 nan 0.000 0.430 180 V N 3.755 123.650 119.914 -0.031 0.000 3.121 180 V HA 0.074 4.191 4.120 -0.005 0.000 0.344 180 V C 1.338 177.351 176.094 -0.134 0.000 1.390 180 V CA 0.555 62.845 62.300 -0.017 0.000 1.177 180 V CB -0.555 31.224 31.823 -0.073 0.000 1.163 180 V HN 0.614 nan 8.190 nan 0.000 0.484 181 V N -0.736 119.114 119.914 -0.107 0.000 0.514 181 V HA -0.487 3.630 4.120 -0.005 0.000 0.092 181 V C 2.292 178.265 176.094 -0.202 0.000 2.257 181 V CA 2.800 65.026 62.300 -0.123 0.000 3.579 181 V CB -2.246 29.523 31.823 -0.090 0.000 0.869 181 V HN 2.311 nan 8.190 nan 0.000 0.908 182 A N -1.635 120.916 122.820 -0.447 0.000 1.452 182 A HA -0.260 4.057 4.320 -0.005 0.000 0.309 182 A C 0.827 178.275 177.584 -0.227 0.000 2.021 182 A CA 1.915 53.567 52.037 -0.643 0.000 1.085 182 A CB -1.359 17.455 19.000 -0.311 0.000 1.466 182 A HN 2.680 nan 8.150 nan 0.000 0.717 183 Y N -0.606 119.582 120.300 -0.186 0.000 2.965 183 Y HA 0.268 4.815 4.550 -0.005 0.000 0.095 183 Y C 1.216 177.149 175.900 0.055 0.000 2.131 183 Y CA 2.131 60.186 58.100 -0.076 0.000 1.038 183 Y CB -0.988 37.405 38.460 -0.112 0.000 1.689 183 Y HN 2.657 nan 8.280 nan 0.000 0.323 184 G N 2.700 111.347 108.800 -0.254 0.000 2.356 184 G HA2 -0.163 3.793 3.960 -0.005 0.000 0.233 184 G HA3 -0.163 3.793 3.960 -0.005 0.000 0.233 184 G C -0.200 174.734 174.900 0.057 0.000 1.105 184 G CA 0.105 45.186 45.100 -0.032 0.000 0.861 184 G HN 1.385 nan 8.290 nan 0.000 0.493 185 N N -1.138 117.562 118.700 -0.001 0.000 2.381 185 N HA 0.287 5.024 4.740 -0.005 0.000 0.248 185 N C 0.591 176.126 175.510 0.041 0.000 1.430 185 N CA 0.454 53.550 53.050 0.076 0.000 0.993 185 N CB 0.366 38.954 38.487 0.168 0.000 1.352 185 N HN 0.530 nan 8.380 nan 0.000 0.520 186 T N -2.889 111.608 114.554 -0.096 0.000 3.151 186 T HA 0.427 4.774 4.350 -0.005 0.000 0.257 186 T C 1.213 175.710 174.700 -0.337 0.000 0.872 186 T CA 1.193 63.216 62.100 -0.128 0.000 0.873 186 T CB -0.060 68.724 68.868 -0.141 0.000 1.272 186 T HN 0.417 nan 8.240 nan 0.000 0.543 187 G N 2.030 110.552 108.800 -0.463 0.000 2.675 187 G HA2 -0.335 3.622 3.960 -0.005 0.000 0.312 187 G HA3 -0.335 3.622 3.960 -0.005 0.000 0.312 187 G C 0.522 175.218 174.900 -0.340 0.000 1.186 187 G CA 1.086 45.811 45.100 -0.624 0.000 0.965 187 G HN 1.571 nan 8.290 nan 0.000 0.548 188 T N -0.960 113.438 114.554 -0.259 0.000 3.688 188 T HA 0.669 5.016 4.350 -0.005 0.000 0.307 188 T C 0.344 174.894 174.700 -0.251 0.000 1.382 188 T CA 1.096 63.117 62.100 -0.133 0.000 1.136 188 T CB 1.108 69.993 68.868 0.029 0.000 1.207 188 T HN 0.937 nan 8.240 nan 0.000 0.854 189 Q N 0.312 119.951 119.800 -0.269 0.000 7.945 189 Q HA 0.255 4.592 4.340 -0.005 0.000 0.369 189 Q C -0.457 175.395 176.000 -0.247 0.000 0.948 189 Q CA 0.359 55.985 55.803 -0.295 0.000 0.540 189 Q CB -0.660 27.777 28.738 -0.502 0.000 0.169 189 Q HN 0.845 nan 8.270 nan 0.000 0.898 190 A N -0.558 122.088 122.820 -0.291 0.000 4.774 190 A HA 0.467 4.784 4.320 -0.005 0.000 0.225 190 A C -0.942 176.544 177.584 -0.164 0.000 0.934 190 A CA 0.634 52.559 52.037 -0.187 0.000 0.596 190 A CB -0.298 18.620 19.000 -0.137 0.000 1.899 190 A HN 0.462 nan 8.150 nan 0.000 0.946 191 Q N -2.419 117.312 119.800 -0.116 0.000 2.329 191 Q HA 0.188 4.525 4.340 -0.005 0.000 0.194 191 Q C 0.080 176.041 176.000 -0.065 0.000 0.721 191 Q CA 0.565 56.313 55.803 -0.091 0.000 0.890 191 Q CB 0.478 29.166 28.738 -0.084 0.000 1.280 191 Q HN 1.063 nan 8.270 nan 0.000 0.431 192 T N 3.546 118.067 114.554 -0.055 0.000 3.293 192 T HA -0.152 4.195 4.350 -0.005 0.000 0.405 192 T C -1.087 173.597 174.700 -0.027 0.000 0.771 192 T CA 1.887 63.967 62.100 -0.034 0.000 2.106 192 T CB -1.433 67.413 68.868 -0.036 0.000 1.671 192 T HN 0.606 nan 8.240 nan 0.000 0.595 193 D N 0.404 120.786 120.400 -0.029 0.000 2.966 193 D HA 0.154 4.791 4.640 -0.005 0.000 0.222 193 D C -0.613 175.670 176.300 -0.028 0.000 1.292 193 D CA -0.867 53.115 54.000 -0.031 0.000 0.907 193 D CB 0.721 41.490 40.800 -0.051 0.000 1.621 193 D HN 0.131 nan 8.370 nan 0.000 0.557 194 N N 1.884 120.578 118.700 -0.009 0.000 2.518 194 N HA 0.223 4.960 4.740 -0.005 0.000 0.266 194 N C -0.933 174.544 175.510 -0.056 0.000 1.196 194 N CA 0.080 53.125 53.050 -0.008 0.000 0.947 194 N CB 0.801 39.318 38.487 0.049 0.000 1.098 194 N HN 0.424 nan 8.380 nan 0.000 0.450 195 D N 0.300 120.632 120.400 -0.113 0.000 2.464 195 D HA 0.333 4.970 4.640 -0.005 0.000 0.243 195 D C 0.743 176.981 176.300 -0.104 0.000 1.104 195 D CA -0.505 53.430 54.000 -0.108 0.000 0.883 195 D CB 0.952 41.687 40.800 -0.109 0.000 1.050 195 D HN 0.516 nan 8.370 nan 0.000 0.524 196 G N 0.987 109.759 108.800 -0.047 0.000 2.494 196 G HA2 0.578 4.535 3.960 -0.005 0.000 0.270 196 G HA3 0.578 4.535 3.960 -0.005 0.000 0.270 196 G C -0.915 174.037 174.900 0.087 0.000 1.423 196 G CA -0.552 44.541 45.100 -0.013 0.000 1.055 196 G HN 0.429 nan 8.290 nan 0.000 0.536 197 F N -0.761 119.099 119.950 -0.149 0.000 2.635 197 F HA 0.506 5.030 4.527 -0.005 0.000 0.314 197 F C -1.615 174.098 175.800 -0.145 0.000 1.119 197 F CA -1.286 56.640 58.000 -0.124 0.000 1.000 197 F CB 1.850 40.779 39.000 -0.118 0.000 1.278 197 F HN 0.447 nan 8.300 nan 0.000 0.446 198 L N 5.571 126.426 121.223 -0.614 0.000 2.409 198 L HA 0.648 4.985 4.340 -0.005 0.000 0.272 198 L C -1.650 174.737 176.870 -0.804 0.000 0.980 198 L CA 0.022 54.502 54.840 -0.600 0.000 0.826 198 L CB 1.526 43.499 42.059 -0.143 0.000 1.268 198 L HN 0.677 nan 8.230 nan 0.000 0.407 199 S N 4.742 119.952 115.700 -0.818 0.000 2.548 199 S HA 0.767 5.234 4.470 -0.005 0.000 0.286 199 S C -1.234 173.140 174.600 -0.377 0.000 1.098 199 S CA -0.605 57.293 58.200 -0.503 0.000 0.930 199 S CB 1.714 64.642 63.200 -0.453 0.000 1.070 199 S HN 0.688 nan 8.310 nan 0.000 0.480 200 K N 2.000 122.300 120.400 -0.167 0.000 2.422 200 K HA 0.709 5.026 4.320 -0.005 0.000 0.251 200 K C -1.373 175.240 176.600 0.021 0.000 0.933 200 K CA -0.902 55.350 56.287 -0.058 0.000 0.798 200 K CB 2.195 34.716 32.500 0.035 0.000 1.238 200 K HN 0.593 nan 8.250 nan 0.000 0.428 201 T N 1.291 115.869 114.554 0.040 0.000 2.868 201 T HA 0.538 4.885 4.350 -0.005 0.000 0.306 201 T C -1.623 173.135 174.700 0.097 0.000 1.224 201 T CA -0.750 61.396 62.100 0.077 0.000 1.012 201 T CB 1.483 70.352 68.868 0.003 0.000 1.221 201 T HN 0.261 nan 8.240 nan 0.000 0.499 202 L N 2.194 123.500 121.223 0.139 0.000 2.470 202 L HA 0.663 5.000 4.340 -0.005 0.000 0.268 202 L C -1.747 175.245 176.870 0.204 0.000 0.964 202 L CA -0.607 54.319 54.840 0.143 0.000 0.839 202 L CB 1.813 43.940 42.059 0.113 0.000 1.276 202 L HN 0.820 nan 8.230 nan 0.000 0.403 203 Y N 2.465 122.787 120.300 0.036 0.000 2.457 203 Y HA 0.806 5.353 4.550 -0.005 0.000 0.343 203 Y C -0.210 175.701 175.900 0.019 0.000 0.994 203 Y CA -0.570 57.549 58.100 0.032 0.000 1.031 203 Y CB 2.345 40.806 38.460 0.002 0.000 1.246 203 Y HN 0.606 nan 8.280 nan 0.000 0.449 204 G N 2.417 111.083 108.800 -0.224 0.000 2.571 204 G HA2 0.765 4.722 3.960 -0.005 0.000 0.304 204 G HA3 0.765 4.722 3.960 -0.005 0.000 0.304 204 G C -1.999 172.748 174.900 -0.255 0.000 1.314 204 G CA -0.569 44.482 45.100 -0.081 0.000 0.975 204 G HN 0.932 nan 8.290 nan 0.000 0.485 205 A N 0.412 123.258 122.820 0.043 0.000 2.498 205 A HA 0.858 5.175 4.320 -0.005 0.000 0.298 205 A C -1.684 175.977 177.584 0.128 0.000 1.075 205 A CA -0.548 51.540 52.037 0.086 0.000 0.714 205 A CB 2.046 21.180 19.000 0.223 0.000 1.299 205 A HN 0.747 nan 8.150 nan 0.000 0.407 206 L N 0.562 121.879 121.223 0.158 0.000 2.362 206 L HA 0.740 5.077 4.340 -0.005 0.000 0.271 206 L C -0.338 176.660 176.870 0.213 0.000 1.002 206 L CA 0.048 54.988 54.840 0.166 0.000 0.818 206 L CB 2.034 44.186 42.059 0.156 0.000 1.298 206 L HN 0.863 nan 8.230 nan 0.000 0.420 207 E N 1.947 122.262 120.200 0.190 0.000 2.311 207 E HA 0.426 4.773 4.350 -0.005 0.000 0.281 207 E C -1.786 174.927 176.600 0.188 0.000 0.905 207 E CA -0.602 55.918 56.400 0.200 0.000 0.778 207 E CB 1.308 31.087 29.700 0.132 0.000 1.240 207 E HN 0.505 nan 8.360 nan 0.000 0.410 208 H N 3.447 122.566 119.070 0.081 0.000 3.099 208 H HA 0.283 4.836 4.556 -0.005 0.000 0.342 208 H C -1.592 173.707 175.328 -0.048 0.000 1.054 208 H CA -0.681 55.339 56.048 -0.048 0.000 1.328 208 H CB 1.016 30.674 29.762 -0.172 0.000 1.876 208 H HN 0.556 nan 8.280 nan 0.000 0.495 209 N N 5.066 123.460 118.700 -0.511 0.000 2.438 209 N HA 0.081 4.818 4.740 -0.005 0.000 0.282 209 N C 0.332 175.559 175.510 -0.472 0.000 1.037 209 N CA -0.282 52.651 53.050 -0.195 0.000 0.942 209 N CB 1.098 39.534 38.487 -0.085 0.000 1.136 209 N HN 0.347 nan 8.380 nan 0.000 0.481 210 F N 0.111 120.190 119.950 0.215 0.000 2.710 210 F HA 0.052 4.576 4.527 -0.005 0.000 0.298 210 F C 1.727 177.624 175.800 0.162 0.000 1.137 210 F CA -0.073 58.092 58.000 0.275 0.000 1.444 210 F CB -0.245 38.941 39.000 0.310 0.000 1.111 210 F HN 0.471 nan 8.300 nan 0.000 0.580 211 T N -3.531 111.228 114.554 0.342 0.000 2.669 211 T HA 0.217 4.564 4.350 -0.005 0.000 0.302 211 T C -1.229 173.568 174.700 0.162 0.000 1.659 211 T CA -0.679 61.562 62.100 0.236 0.000 0.979 211 T CB 0.795 69.853 68.868 0.318 0.000 1.895 211 T HN -0.077 nan 8.240 nan 0.000 0.466 212 D N 0.466 120.930 120.400 0.106 0.000 2.706 212 D HA 0.678 5.315 4.640 -0.005 0.000 0.236 212 D C 0.915 177.198 176.300 -0.029 0.000 1.231 212 D CA 0.031 54.052 54.000 0.035 0.000 0.828 212 D CB 0.371 41.180 40.800 0.015 0.000 1.015 212 D HN 0.830 nan 8.370 nan 0.000 0.484 213 A N -0.639 122.166 122.820 -0.025 0.000 1.570 213 A HA 0.218 4.535 4.320 -0.005 0.000 0.212 213 A C -0.594 176.803 177.584 -0.311 0.000 1.855 213 A CA -0.540 51.303 52.037 -0.323 0.000 1.415 213 A CB -0.067 18.706 19.000 -0.377 0.000 1.376 213 A HN 0.178 nan 8.150 nan 0.000 0.370 214 W N 1.920 123.281 121.300 0.103 0.000 2.390 214 W HA 0.631 5.288 4.660 -0.005 0.000 0.312 214 W C -0.144 176.590 176.519 0.357 0.000 1.123 214 W CA 0.363 57.841 57.345 0.220 0.000 1.202 214 W CB 1.715 31.286 29.460 0.186 0.000 1.251 214 W HN 0.320 nan 8.180 nan 0.000 0.511 215 S N 1.621 117.687 115.700 0.610 0.000 2.607 215 S HA 0.924 5.391 4.470 -0.005 0.000 0.273 215 S C -0.493 174.557 174.600 0.749 0.000 1.148 215 S CA -1.100 57.513 58.200 0.689 0.000 0.833 215 S CB 1.862 65.293 63.200 0.385 0.000 1.130 215 S HN 0.623 nan 8.310 nan 0.000 0.470 216 G N 0.159 109.433 108.800 0.790 0.000 2.672 216 G HA2 0.826 4.783 3.960 -0.005 0.000 0.292 216 G HA3 0.826 4.783 3.960 -0.005 0.000 0.292 216 G C -1.396 173.902 174.900 0.664 0.000 1.375 216 G CA -1.009 44.513 45.100 0.703 0.000 0.890 216 G HN 0.841 nan 8.290 nan 0.000 0.476 217 F N -1.279 118.828 119.950 0.262 0.000 2.643 217 F HA 0.842 5.367 4.527 -0.005 0.000 0.314 217 F C -1.034 174.879 175.800 0.189 0.000 1.096 217 F CA -1.482 56.641 58.000 0.205 0.000 0.953 217 F CB 2.109 41.221 39.000 0.186 0.000 1.345 217 F HN 0.416 nan 8.300 nan 0.000 0.468 218 V N 1.405 121.533 119.914 0.356 0.000 2.789 218 V HA 0.662 4.779 4.120 -0.005 0.000 0.311 218 V C -0.608 175.660 176.094 0.290 0.000 1.073 218 V CA -0.908 61.547 62.300 0.257 0.000 0.921 218 V CB 1.997 33.932 31.823 0.188 0.000 1.009 218 V HN 0.867 nan 8.190 nan 0.000 0.426 219 R N 1.299 121.956 120.500 0.262 0.000 2.807 219 R HA 0.857 5.193 4.340 -0.005 0.000 0.276 219 R C -0.372 175.767 176.300 -0.268 0.000 0.979 219 R CA -0.745 55.366 56.100 0.018 0.000 0.928 219 R CB 2.543 32.887 30.300 0.074 0.000 1.191 219 R HN 1.001 nan 8.270 nan 0.000 0.471 220 G N 1.622 109.988 108.800 -0.722 0.000 2.753 220 G HA2 0.539 4.496 3.960 -0.005 0.000 0.295 220 G HA3 0.539 4.496 3.960 -0.005 0.000 0.295 220 G C -1.786 172.580 174.900 -0.890 0.000 1.437 220 G CA -0.471 43.702 45.100 -1.545 0.000 1.094 220 G HN 0.552 nan 8.290 nan 0.000 0.540 221 Y N -0.206 119.628 120.300 -0.777 0.000 2.670 221 Y HA 0.899 5.446 4.550 -0.005 0.000 0.334 221 Y C -0.022 175.763 175.900 -0.192 0.000 1.185 221 Y CA -1.302 56.600 58.100 -0.330 0.000 1.053 221 Y CB 1.500 39.919 38.460 -0.069 0.000 1.298 221 Y HN 1.302 nan 8.280 nan 0.000 0.459 222 G N 0.307 109.237 108.800 0.217 0.000 2.442 222 G HA2 0.493 4.450 3.960 -0.005 0.000 0.296 222 G HA3 0.493 4.450 3.960 -0.005 0.000 0.296 222 G C -2.338 172.703 174.900 0.235 0.000 1.564 222 G CA -0.698 44.464 45.100 0.103 0.000 0.828 222 G HN 1.258 nan 8.290 nan 0.000 0.571 223 Y N -1.192 119.127 120.300 0.032 0.000 2.644 223 Y HA 0.861 5.408 4.550 -0.005 0.000 0.338 223 Y C -1.323 174.600 175.900 0.039 0.000 1.119 223 Y CA -1.406 56.697 58.100 0.005 0.000 1.060 223 Y CB 2.617 41.039 38.460 -0.062 0.000 1.294 223 Y HN 0.443 nan 8.280 nan 0.000 0.472 224 D N 0.871 121.359 120.400 0.147 0.000 2.351 224 D HA 0.234 4.871 4.640 -0.005 0.000 0.235 224 D C -1.850 174.421 176.300 -0.048 0.000 1.331 224 D CA -0.300 53.709 54.000 0.015 0.000 0.959 224 D CB 0.532 41.394 40.800 0.102 0.000 1.432 224 D HN 0.802 nan 8.370 nan 0.000 0.544 225 N N 1.977 120.645 118.700 -0.053 0.000 2.443 225 N HA 0.526 5.263 4.740 -0.005 0.000 0.295 225 N C -0.336 175.157 175.510 -0.028 0.000 1.076 225 N CA -0.744 52.309 53.050 0.006 0.000 0.919 225 N CB 1.643 40.291 38.487 0.268 0.000 1.176 225 N HN 0.106 nan 8.380 nan 0.000 0.487 226 R N 0.786 121.274 120.500 -0.019 0.000 2.513 226 R HA 0.439 4.775 4.340 -0.005 0.000 0.301 226 R C -0.689 175.720 176.300 0.181 0.000 0.968 226 R CA -0.728 55.404 56.100 0.053 0.000 0.872 226 R CB 1.738 32.043 30.300 0.007 0.000 1.177 226 R HN 0.541 nan 8.270 nan 0.000 0.444 227 T N 0.205 114.887 114.554 0.214 0.000 2.906 227 T HA 0.484 4.830 4.350 -0.005 0.000 0.295 227 T C -0.793 173.972 174.700 0.109 0.000 1.061 227 T CA -0.824 61.412 62.100 0.227 0.000 1.000 227 T CB 1.759 70.736 68.868 0.181 0.000 1.103 227 T HN 0.438 nan 8.240 nan 0.000 0.486 228 N N 1.365 120.105 118.700 0.066 0.000 2.319 228 N HA 0.665 5.402 4.740 -0.005 0.000 0.305 228 N C -1.003 174.546 175.510 0.065 0.000 1.103 228 N CA -0.471 52.579 53.050 -0.000 0.000 0.815 228 N CB 1.624 40.075 38.487 -0.061 0.000 1.288 228 N HN 0.859 nan 8.380 nan 0.000 0.493 229 Y N -1.001 119.248 120.300 -0.084 0.000 3.168 229 Y HA 0.616 5.163 4.550 -0.005 0.000 0.291 229 Y C -0.525 175.348 175.900 -0.046 0.000 1.801 229 Y CA -0.619 57.447 58.100 -0.057 0.000 1.060 229 Y CB 0.811 39.247 38.460 -0.039 0.000 1.539 229 Y HN 0.186 nan 8.280 nan 0.000 0.500 230 D N -1.099 119.371 120.400 0.118 0.000 2.680 230 D HA 0.424 5.061 4.640 -0.005 0.000 0.295 230 D C 1.082 177.398 176.300 0.026 0.000 1.097 230 D CA 1.651 55.643 54.000 -0.013 0.000 0.952 230 D CB 1.304 42.088 40.800 -0.027 0.000 1.491 230 D HN 0.851 nan 8.370 nan 0.000 0.486 231 A N -0.702 122.219 122.820 0.169 0.000 2.230 231 A HA 0.012 4.328 4.320 -0.005 0.000 0.241 231 A C -0.126 177.624 177.584 0.277 0.000 1.316 231 A CA 0.529 52.691 52.037 0.208 0.000 1.118 231 A CB -0.995 18.213 19.000 0.345 0.000 1.305 231 A HN 0.392 nan 8.150 nan 0.000 0.640 232 Y N -2.815 117.543 120.300 0.097 0.000 3.048 232 Y HA 0.385 4.932 4.550 -0.005 0.000 0.426 232 Y C -1.616 174.403 175.900 0.199 0.000 1.044 232 Y CA 0.461 58.625 58.100 0.107 0.000 1.431 232 Y CB -0.274 38.230 38.460 0.074 0.000 1.827 232 Y HN 1.828 nan 8.280 nan 0.000 0.530 233 Y N 2.082 122.431 120.300 0.081 0.000 2.294 233 Y HA 0.548 5.095 4.550 -0.005 0.000 0.316 233 Y C -1.373 174.599 175.900 0.120 0.000 1.265 233 Y CA -0.456 57.690 58.100 0.076 0.000 1.149 233 Y CB 1.462 39.870 38.460 -0.085 0.000 1.293 233 Y HN 0.621 nan 8.280 nan 0.000 0.416 234 S N 6.800 122.422 115.700 -0.130 0.000 2.617 234 S HA 0.512 4.979 4.470 -0.005 0.000 0.283 234 S C -2.850 171.358 174.600 -0.654 0.000 1.189 234 S CA -1.469 56.637 58.200 -0.157 0.000 1.036 234 S CB 1.299 64.464 63.200 -0.058 0.000 1.014 234 S HN 0.395 nan 8.310 nan 0.000 0.522 235 P HA 0.338 nan 4.420 nan 0.000 0.270 235 P C 0.266 177.477 177.300 -0.148 0.000 1.242 235 P CA 0.285 63.341 63.100 -0.072 0.000 0.768 235 P CB 0.468 32.229 31.700 0.102 0.000 0.820 236 G N 0.913 109.601 108.800 -0.187 0.000 3.218 236 G HA2 0.394 4.351 3.960 -0.005 0.000 0.143 236 G HA3 0.394 4.351 3.960 -0.005 0.000 0.143 236 G C -0.824 174.024 174.900 -0.087 0.000 1.220 236 G CA -0.268 44.758 45.100 -0.124 0.000 1.382 236 G HN 0.389 nan 8.290 nan 0.000 0.682 237 S N 1.480 117.132 115.700 -0.080 0.000 3.741 237 S HA -0.047 4.420 4.470 -0.005 0.000 0.746 237 S C -2.473 172.037 174.600 -0.149 0.000 0.477 237 S CA 0.083 58.217 58.200 -0.109 0.000 1.449 237 S CB -0.620 62.489 63.200 -0.152 0.000 0.863 237 S HN 0.549 nan 8.310 nan 0.000 1.075 238 P HA 0.227 nan 4.420 nan 0.000 0.271 238 P C 0.756 178.033 177.300 -0.038 0.000 1.238 238 P CA -0.571 62.514 63.100 -0.025 0.000 0.794 238 P CB 0.470 32.192 31.700 0.037 0.000 0.959 239 L N 0.716 121.951 121.223 0.020 0.000 2.575 239 L HA 0.380 4.717 4.340 -0.005 0.000 0.188 239 L C 1.206 178.077 176.870 0.002 0.000 1.290 239 L CA 0.637 55.499 54.840 0.037 0.000 2.165 239 L CB -1.301 40.794 42.059 0.061 0.000 1.984 239 L HN 0.336 nan 8.230 nan 0.000 1.006 240 L N -0.479 120.687 121.223 -0.095 0.000 1.921 240 L HA -0.161 4.175 4.340 -0.005 0.000 0.483 240 L C 0.878 177.346 176.870 -0.670 0.000 0.800 240 L CA 0.027 54.755 54.840 -0.186 0.000 1.944 240 L CB -1.136 40.935 42.059 0.020 0.000 1.338 240 L HN 0.309 nan 8.230 nan 0.000 0.424 241 D N 1.008 121.064 120.400 -0.573 0.000 4.742 241 D HA -0.198 4.439 4.640 -0.005 0.000 0.284 241 D C 0.804 176.555 176.300 -0.915 0.000 1.470 241 D CA 2.500 56.112 54.000 -0.648 0.000 0.932 241 D CB 0.040 40.611 40.800 -0.381 0.000 0.901 241 D HN 0.432 nan 8.370 nan 0.000 0.689 242 T N -0.250 113.874 114.554 -0.718 0.000 2.863 242 T HA 0.453 4.800 4.350 -0.005 0.000 0.285 242 T C 0.044 174.644 174.700 -0.168 0.000 1.009 242 T CA -0.749 61.064 62.100 -0.478 0.000 0.989 242 T CB 2.982 71.438 68.868 -0.687 0.000 1.004 242 T HN 0.044 nan 8.240 nan 0.000 0.455 243 R N 1.916 122.497 120.500 0.136 0.000 2.664 243 R HA 0.583 4.920 4.340 -0.005 0.000 0.286 243 R C -1.194 175.193 176.300 0.146 0.000 0.967 243 R CA -0.761 55.453 56.100 0.189 0.000 0.933 243 R CB 1.069 31.469 30.300 0.166 0.000 1.146 243 R HN 0.481 nan 8.270 nan 0.000 0.468 244 K N 4.940 125.454 120.400 0.190 0.000 2.637 244 K HA 0.305 4.622 4.320 -0.005 0.000 0.248 244 K C -1.567 175.044 176.600 0.019 0.000 0.971 244 K CA -0.548 55.774 56.287 0.059 0.000 0.858 244 K CB 1.403 33.932 32.500 0.048 0.000 1.170 244 K HN 0.513 nan 8.250 nan 0.000 0.443 245 L N 4.742 125.898 121.223 -0.111 0.000 2.334 245 L HA 0.565 4.902 4.340 -0.005 0.000 0.276 245 L C -1.549 175.168 176.870 -0.255 0.000 1.014 245 L CA -0.749 54.044 54.840 -0.079 0.000 0.815 245 L CB 1.030 43.093 42.059 0.005 0.000 1.268 245 L HN 0.623 nan 8.230 nan 0.000 0.428 246 Y N 1.689 121.954 120.300 -0.059 0.000 2.545 246 Y HA 0.566 5.113 4.550 -0.005 0.000 0.348 246 Y C -0.105 175.602 175.900 -0.322 0.000 1.002 246 Y CA -0.772 57.230 58.100 -0.163 0.000 1.039 246 Y CB 2.320 40.724 38.460 -0.093 0.000 1.271 246 Y HN 0.486 nan 8.280 nan 0.000 0.467 247 S N 2.119 117.659 115.700 -0.268 0.000 2.584 247 S HA 0.466 4.932 4.470 -0.005 0.000 0.282 247 S C -1.734 172.605 174.600 -0.436 0.000 1.138 247 S CA -0.854 57.068 58.200 -0.464 0.000 0.987 247 S CB 0.744 63.518 63.200 -0.711 0.000 1.137 247 S HN 0.799 nan 8.310 nan 0.000 0.457 248 Q N 2.259 121.867 119.800 -0.319 0.000 2.451 248 Q HA 0.902 5.238 4.340 -0.005 0.000 0.281 248 Q C -1.296 174.481 176.000 -0.371 0.000 1.099 248 Q CA -0.937 54.688 55.803 -0.297 0.000 0.806 248 Q CB 2.190 30.875 28.738 -0.088 0.000 1.419 248 Q HN 0.513 nan 8.270 nan 0.000 0.427 249 S N 0.290 115.631 115.700 -0.599 0.000 2.546 249 S HA 0.730 5.197 4.470 -0.005 0.000 0.274 249 S C -1.856 172.378 174.600 -0.610 0.000 1.121 249 S CA -0.631 57.230 58.200 -0.565 0.000 0.887 249 S CB 0.862 63.460 63.200 -1.003 0.000 1.094 249 S HN 0.586 nan 8.310 nan 0.000 0.474 250 W N 0.965 122.169 121.300 -0.160 0.000 3.127 250 W HA 0.566 5.223 4.660 -0.004 0.000 0.330 250 W C -1.040 175.521 176.519 0.070 0.000 1.187 250 W CA -0.391 56.940 57.345 -0.024 0.000 1.198 250 W CB 1.254 30.745 29.460 0.052 0.000 1.408 250 W HN 0.461 nan 8.180 nan 0.000 0.529 251 D N 0.789 121.386 120.400 0.329 0.000 2.493 251 D HA 0.847 5.484 4.640 -0.005 0.000 0.239 251 D C -1.076 175.298 176.300 0.122 0.000 1.049 251 D CA -0.717 53.450 54.000 0.279 0.000 1.008 251 D CB 1.911 42.966 40.800 0.425 0.000 1.398 251 D HN 0.429 nan 8.370 nan 0.000 0.513 252 A N -0.378 122.346 122.820 -0.160 0.000 2.566 252 A HA 0.809 5.126 4.320 -0.005 0.000 0.297 252 A C -0.635 176.361 177.584 -0.980 0.000 1.059 252 A CA -0.324 51.358 52.037 -0.592 0.000 0.691 252 A CB 1.861 20.742 19.000 -0.199 0.000 1.282 252 A HN 0.628 nan 8.150 nan 0.000 0.401 253 G N 0.070 107.841 108.800 -1.716 0.000 2.692 253 G HA2 0.641 4.598 3.960 -0.005 0.000 0.291 253 G HA3 0.641 4.598 3.960 -0.005 0.000 0.291 253 G C -1.405 173.497 174.900 0.003 0.000 1.423 253 G CA -0.675 44.121 45.100 -0.507 0.000 0.843 253 G HN 0.818 nan 8.290 nan 0.000 0.486 254 L N -0.060 121.313 121.223 0.250 0.000 2.330 254 L HA 0.735 5.072 4.340 -0.005 0.000 0.271 254 L C 0.238 177.380 176.870 0.453 0.000 1.013 254 L CA -0.992 54.092 54.840 0.407 0.000 0.816 254 L CB 2.203 44.493 42.059 0.385 0.000 1.287 254 L HN 0.370 nan 8.230 nan 0.000 0.435 255 R N 0.670 121.433 120.500 0.437 0.000 2.807 255 R HA 0.511 4.848 4.340 -0.005 0.000 0.276 255 R C -1.723 174.633 176.300 0.093 0.000 0.979 255 R CA -0.841 55.435 56.100 0.294 0.000 0.928 255 R CB 2.786 33.239 30.300 0.256 0.000 1.191 255 R HN 0.563 nan 8.270 nan 0.000 0.471 256 Y N 1.543 121.648 120.300 -0.324 0.000 2.338 256 Y HA 0.350 4.897 4.550 -0.005 0.000 0.333 256 Y C -1.284 174.379 175.900 -0.395 0.000 0.968 256 Y CA -0.894 56.757 58.100 -0.749 0.000 1.123 256 Y CB 1.500 38.948 38.460 -1.687 0.000 1.165 256 Y HN 0.580 nan 8.280 nan 0.000 0.452 257 N N 4.558 122.767 118.700 -0.819 0.000 2.706 257 N HA 0.452 5.189 4.740 -0.005 0.000 0.240 257 N C -0.447 174.630 175.510 -0.722 0.000 1.039 257 N CA -0.153 52.565 53.050 -0.555 0.000 0.888 257 N CB 0.968 39.299 38.487 -0.260 0.000 1.128 257 N HN 0.921 nan 8.380 nan 0.000 0.512 258 G N 0.968 109.384 108.800 -0.640 0.000 2.568 258 G HA2 0.148 4.105 3.960 -0.005 0.000 0.293 258 G HA3 0.148 4.105 3.960 -0.005 0.000 0.293 258 G C 0.366 175.184 174.900 -0.136 0.000 1.347 258 G CA -0.282 44.611 45.100 -0.345 0.000 1.039 258 G HN 0.483 nan 8.290 nan 0.000 0.523 259 E N -1.629 118.537 120.200 -0.057 0.000 2.358 259 E HA 0.084 4.431 4.350 -0.005 0.000 0.195 259 E C 1.780 178.357 176.600 -0.039 0.000 1.010 259 E CA 0.503 56.877 56.400 -0.044 0.000 0.856 259 E CB 0.172 29.860 29.700 -0.021 0.000 0.795 259 E HN 0.249 nan 8.360 nan 0.000 0.504 260 L N -1.430 119.779 121.223 -0.023 0.000 2.815 260 L HA 0.385 4.722 4.340 -0.005 0.000 0.241 260 L C -0.232 176.608 176.870 -0.050 0.000 1.047 260 L CA 0.279 55.099 54.840 -0.034 0.000 0.939 260 L CB 0.671 42.720 42.059 -0.017 0.000 1.490 260 L HN -0.108 nan 8.230 nan 0.000 0.510 261 I N 0.246 120.810 120.570 -0.009 0.000 2.406 261 I HA 0.275 4.442 4.170 -0.005 0.000 0.290 261 I C -0.606 175.502 176.117 -0.016 0.000 0.999 261 I CA -0.477 60.806 61.300 -0.030 0.000 1.124 261 I CB 1.638 39.644 38.000 0.010 0.000 1.289 261 I HN -0.087 nan 8.210 nan 0.000 0.441 262 K N 3.677 123.956 120.400 -0.201 0.000 2.207 262 K HA 0.653 4.970 4.320 -0.005 0.000 0.255 262 K C -0.871 175.580 176.600 -0.249 0.000 0.941 262 K CA -0.468 55.648 56.287 -0.285 0.000 0.825 262 K CB 2.083 34.187 32.500 -0.660 0.000 1.119 262 K HN 0.391 nan 8.250 nan 0.000 0.430 263 S N 1.489 117.197 115.700 0.013 0.000 2.536 263 S HA 0.418 4.885 4.470 -0.005 0.000 0.287 263 S C -1.936 172.879 174.600 0.359 0.000 1.101 263 S CA -0.846 57.461 58.200 0.179 0.000 0.950 263 S CB 1.019 64.329 63.200 0.184 0.000 1.056 263 S HN 0.567 nan 8.310 nan 0.000 0.481 264 Q N 2.607 122.690 119.800 0.472 0.000 2.345 264 Q HA 0.691 5.028 4.340 -0.005 0.000 0.275 264 Q C -1.745 174.573 176.000 0.530 0.000 1.063 264 Q CA -0.932 55.147 55.803 0.459 0.000 0.819 264 Q CB 1.750 30.725 28.738 0.394 0.000 1.356 264 Q HN 0.458 nan 8.270 nan 0.000 0.418 265 L N 3.440 124.937 121.223 0.456 0.000 2.381 265 L HA 0.629 4.966 4.340 -0.005 0.000 0.274 265 L C -1.529 175.523 176.870 0.302 0.000 0.988 265 L CA -0.827 54.244 54.840 0.384 0.000 0.824 265 L CB 1.725 43.915 42.059 0.217 0.000 1.263 265 L HN 0.773 nan 8.230 nan 0.000 0.410 266 I N 2.347 123.092 120.570 0.291 0.000 3.042 266 I HA 0.572 4.738 4.170 -0.005 0.000 0.310 266 I C -0.275 175.975 176.117 0.222 0.000 1.117 266 I CA -0.277 61.182 61.300 0.265 0.000 1.003 266 I CB 2.586 40.789 38.000 0.338 0.000 1.228 266 I HN 0.382 nan 8.210 nan 0.000 0.443 267 T N 1.630 116.296 114.554 0.187 0.000 3.041 267 T HA 0.716 5.063 4.350 -0.005 0.000 0.321 267 T C -1.489 173.342 174.700 0.218 0.000 1.184 267 T CA -0.474 61.739 62.100 0.188 0.000 1.050 267 T CB 1.233 70.169 68.868 0.114 0.000 1.159 267 T HN 0.617 nan 8.240 nan 0.000 0.469 268 S N 1.964 117.823 115.700 0.266 0.000 2.578 268 S HA 0.705 5.172 4.470 -0.005 0.000 0.272 268 S C -2.425 172.362 174.600 0.311 0.000 1.145 268 S CA -0.589 57.779 58.200 0.280 0.000 0.835 268 S CB 1.432 64.781 63.200 0.247 0.000 1.104 268 S HN 0.715 nan 8.310 nan 0.000 0.458 269 Y N 1.189 121.546 120.300 0.095 0.000 2.436 269 Y HA 0.731 5.278 4.550 -0.005 0.000 0.327 269 Y C -1.223 174.665 175.900 -0.019 0.000 1.138 269 Y CA -0.441 57.630 58.100 -0.048 0.000 1.042 269 Y CB 1.573 40.022 38.460 -0.018 0.000 1.302 269 Y HN 0.601 nan 8.280 nan 0.000 0.439 270 S N 4.771 120.112 115.700 -0.598 0.000 2.550 270 S HA 0.531 4.998 4.470 -0.005 0.000 0.270 270 S C -2.269 172.025 174.600 -0.510 0.000 1.145 270 S CA -0.630 57.268 58.200 -0.502 0.000 0.852 270 S CB 1.355 64.437 63.200 -0.196 0.000 1.119 270 S HN 0.887 nan 8.310 nan 0.000 0.465 271 H N 1.152 119.932 119.070 -0.483 0.000 3.188 271 H HA 0.489 5.043 4.556 -0.005 0.000 0.325 271 H C -0.887 174.316 175.328 -0.209 0.000 1.033 271 H CA -0.332 55.516 56.048 -0.334 0.000 1.443 271 H CB 0.903 30.439 29.762 -0.377 0.000 1.968 271 H HN 0.708 nan 8.280 nan 0.000 0.449 272 S N 4.558 120.088 115.700 -0.284 0.000 2.855 272 S HA 0.713 5.180 4.470 -0.005 0.000 0.308 272 S C -0.827 173.565 174.600 -0.347 0.000 1.077 272 S CA -0.931 57.044 58.200 -0.375 0.000 0.896 272 S CB 2.752 65.843 63.200 -0.182 0.000 1.339 272 S HN 0.615 nan 8.310 nan 0.000 0.602 273 K N 0.625 120.907 120.400 -0.197 0.000 2.474 273 K HA 0.166 4.483 4.320 -0.005 0.000 0.313 273 K C -2.643 173.890 176.600 -0.113 0.000 1.204 273 K CA -0.051 56.120 56.287 -0.193 0.000 1.122 273 K CB 1.185 33.572 32.500 -0.187 0.000 1.407 273 K HN 0.831 nan 8.250 nan 0.000 0.450 274 D N 3.145 123.429 120.400 -0.193 0.000 2.346 274 D HA 0.226 4.863 4.640 -0.005 0.000 0.255 274 D C -1.151 175.140 176.300 -0.015 0.000 1.276 274 D CA -0.218 53.763 54.000 -0.032 0.000 0.941 274 D CB 0.272 41.055 40.800 -0.029 0.000 1.199 274 D HN 0.184 nan 8.370 nan 0.000 0.537 275 Y N 1.802 122.151 120.300 0.081 0.000 2.335 275 Y HA 0.368 4.915 4.550 -0.005 0.000 0.331 275 Y C 1.005 177.026 175.900 0.201 0.000 1.094 275 Y CA -0.479 57.684 58.100 0.106 0.000 1.253 275 Y CB 0.605 39.082 38.460 0.028 0.000 1.203 275 Y HN 0.168 nan 8.280 nan 0.000 0.508 276 N N 3.408 122.327 118.700 0.365 0.000 2.370 276 N HA 0.518 5.255 4.740 -0.005 0.000 0.303 276 N C -1.405 174.362 175.510 0.427 0.000 1.103 276 N CA -0.749 52.528 53.050 0.378 0.000 0.848 276 N CB 2.653 41.324 38.487 0.306 0.000 1.235 276 N HN 0.776 nan 8.380 nan 0.000 0.496 277 Y N -1.684 118.682 120.300 0.109 0.000 2.643 277 Y HA 0.256 4.803 4.550 -0.005 0.000 0.347 277 Y C -2.261 173.623 175.900 -0.027 0.000 1.208 277 Y CA -1.326 56.796 58.100 0.036 0.000 1.245 277 Y CB 0.630 39.087 38.460 -0.005 0.000 1.369 277 Y HN 0.385 nan 8.280 nan 0.000 0.487 278 D N 3.469 123.890 120.400 0.036 0.000 2.256 278 D HA 0.859 5.496 4.640 -0.005 0.000 0.246 278 D C -2.863 173.554 176.300 0.196 0.000 1.042 278 D CA -2.126 51.844 54.000 -0.050 0.000 0.841 278 D CB 2.720 43.513 40.800 -0.012 0.000 1.223 278 D HN 0.476 nan 8.370 nan 0.000 0.470 279 P HA 0.042 nan 4.420 nan 0.000 0.535 279 P C -0.871 176.283 177.300 -0.242 0.000 0.635 279 P CA -0.025 63.019 63.100 -0.094 0.000 2.509 279 P CB -0.950 30.777 31.700 0.044 0.000 1.141 280 H N -3.753 115.416 119.070 0.164 0.000 1.795 280 H HA 0.091 4.644 4.556 -0.005 0.000 0.115 280 H C 0.170 175.624 175.328 0.211 0.000 1.175 280 H CA 0.060 56.195 56.048 0.145 0.000 0.421 280 H CB -0.165 29.666 29.762 0.116 0.000 0.315 280 H HN 0.060 nan 8.280 nan 0.000 0.207 281 Y N 1.743 122.169 120.300 0.209 0.000 2.719 281 Y HA 0.526 5.073 4.550 -0.005 0.000 0.251 281 Y C 0.443 176.418 175.900 0.124 0.000 1.159 281 Y CA 0.127 58.309 58.100 0.136 0.000 1.166 281 Y CB 0.750 39.271 38.460 0.102 0.000 1.219 281 Y HN 0.264 nan 8.280 nan 0.000 0.551 282 G N 0.941 109.869 108.800 0.214 0.000 2.528 282 G HA2 0.516 4.473 3.960 -0.005 0.000 0.289 282 G HA3 0.516 4.473 3.960 -0.005 0.000 0.289 282 G C -0.056 174.763 174.900 -0.135 0.000 1.192 282 G CA 0.031 45.209 45.100 0.131 0.000 0.921 282 G HN 0.450 nan 8.290 nan 0.000 0.512 283 R N -1.727 118.630 120.500 -0.238 0.000 4.830 283 R HA -0.065 4.272 4.340 -0.005 0.000 0.032 283 R C -1.132 174.872 176.300 -0.493 0.000 0.812 283 R CA 0.026 55.756 56.100 -0.616 0.000 2.328 283 R CB -0.363 29.116 30.300 -1.368 0.000 0.964 283 R HN 0.883 nan 8.270 nan 0.000 0.476 284 Y N 1.910 122.177 120.300 -0.055 0.000 2.932 284 Y HA -0.114 4.433 4.550 -0.005 0.000 0.077 284 Y C -0.213 175.627 175.900 -0.099 0.000 2.140 284 Y CA 0.944 58.977 58.100 -0.112 0.000 1.062 284 Y CB -2.157 36.170 38.460 -0.221 0.000 1.733 284 Y HN 0.754 nan 8.280 nan 0.000 0.313 285 D N -0.155 120.358 120.400 0.187 0.000 2.519 285 D HA 0.435 5.072 4.640 -0.005 0.000 0.114 285 D C -0.385 176.095 176.300 0.299 0.000 1.463 285 D CA 1.658 55.819 54.000 0.268 0.000 1.454 285 D CB 0.780 41.753 40.800 0.288 0.000 2.156 285 D HN 0.409 nan 8.370 nan 0.000 0.210 286 S N -0.738 115.088 115.700 0.210 0.000 2.709 286 S HA 0.406 4.873 4.470 -0.005 0.000 0.305 286 S C -1.338 173.346 174.600 0.141 0.000 0.974 286 S CA 0.627 58.942 58.200 0.192 0.000 0.837 286 S CB 0.389 63.698 63.200 0.182 0.000 1.032 286 S HN 0.770 nan 8.310 nan 0.000 0.461 287 S N 1.743 117.517 115.700 0.124 0.000 3.681 287 S HA 0.320 4.787 4.470 -0.005 0.000 0.473 287 S C -0.161 174.535 174.600 0.160 0.000 0.830 287 S CA 1.106 59.389 58.200 0.138 0.000 1.355 287 S CB -1.794 61.505 63.200 0.166 0.000 0.892 287 S HN 2.558 nan 8.310 nan 0.000 0.649 288 A N 1.062 123.973 122.820 0.153 0.000 0.690 288 A HA 0.431 4.748 4.320 -0.005 0.000 0.199 288 A C -0.082 177.595 177.584 0.156 0.000 0.606 288 A CA -0.029 52.112 52.037 0.174 0.000 0.430 288 A CB -0.982 18.108 19.000 0.150 0.000 0.677 288 A HN 1.958 nan 8.150 nan 0.000 0.332 289 T N 0.469 115.118 114.554 0.159 0.000 2.837 289 T HA 0.721 5.068 4.350 -0.005 0.000 0.285 289 T C -0.236 174.528 174.700 0.107 0.000 0.984 289 T CA -0.549 61.622 62.100 0.118 0.000 1.049 289 T CB 1.501 70.431 68.868 0.103 0.000 0.947 289 T HN 1.985 nan 8.240 nan 0.000 0.472 290 L N 1.533 122.786 121.223 0.050 0.000 2.362 290 L HA 0.726 5.062 4.340 -0.005 0.000 0.275 290 L C -1.535 175.293 176.870 -0.070 0.000 0.998 290 L CA -0.468 54.333 54.840 -0.065 0.000 0.820 290 L CB 1.846 43.828 42.059 -0.128 0.000 1.270 290 L HN 0.642 nan 8.230 nan 0.000 0.415 291 D N 3.822 124.162 120.400 -0.099 0.000 2.408 291 D HA 0.352 4.989 4.640 -0.005 0.000 0.243 291 D C -1.125 175.127 176.300 -0.079 0.000 1.075 291 D CA -0.012 53.953 54.000 -0.058 0.000 0.832 291 D CB 2.138 42.917 40.800 -0.035 0.000 1.162 291 D HN 0.692 nan 8.370 nan 0.000 0.515 292 E N 2.408 122.588 120.200 -0.033 0.000 2.199 292 E HA 0.542 4.889 4.350 -0.005 0.000 0.269 292 E C -1.224 175.404 176.600 0.048 0.000 0.899 292 E CA -0.702 55.698 56.400 0.000 0.000 0.772 292 E CB 2.042 31.774 29.700 0.054 0.000 1.155 292 E HN 0.378 nan 8.360 nan 0.000 0.408 293 M N 3.370 123.008 119.600 0.064 0.000 2.572 293 M HA 0.472 4.949 4.480 -0.005 0.000 0.299 293 M C -1.810 174.573 176.300 0.139 0.000 1.205 293 M CA -0.650 54.705 55.300 0.092 0.000 0.876 293 M CB 1.888 34.515 32.600 0.044 0.000 1.728 293 M HN 0.291 nan 8.290 nan 0.000 0.458 294 K N 3.155 123.622 120.400 0.111 0.000 2.483 294 K HA 0.327 4.643 4.320 -0.005 0.000 0.256 294 K C -1.533 175.073 176.600 0.011 0.000 0.961 294 K CA -0.448 55.863 56.287 0.040 0.000 0.873 294 K CB 1.996 34.562 32.500 0.110 0.000 1.107 294 K HN 0.702 nan 8.250 nan 0.000 0.432 295 Q N 3.285 123.021 119.800 -0.106 0.000 2.293 295 Q HA 0.343 4.680 4.340 -0.005 0.000 0.261 295 Q C -1.551 174.372 176.000 -0.129 0.000 0.960 295 Q CA -0.596 55.189 55.803 -0.029 0.000 0.882 295 Q CB 0.893 29.624 28.738 -0.010 0.000 1.275 295 Q HN 0.438 nan 8.270 nan 0.000 0.445 296 Y N 0.921 121.273 120.300 0.085 0.000 2.524 296 Y HA 0.652 5.199 4.550 -0.005 0.000 0.344 296 Y C -0.377 175.544 175.900 0.036 0.000 1.012 296 Y CA -0.727 57.460 58.100 0.145 0.000 1.068 296 Y CB 2.843 41.399 38.460 0.159 0.000 1.249 296 Y HN 0.561 nan 8.280 nan 0.000 0.468 297 T N 1.575 116.346 114.554 0.363 0.000 2.993 297 T HA 0.690 5.037 4.350 -0.005 0.000 0.312 297 T C -1.494 173.477 174.700 0.452 0.000 1.115 297 T CA -0.723 61.561 62.100 0.307 0.000 1.027 297 T CB 1.678 70.682 68.868 0.227 0.000 1.116 297 T HN 0.362 nan 8.240 nan 0.000 0.464 298 V N 2.613 122.852 119.914 0.542 0.000 2.851 298 V HA 0.599 4.716 4.120 -0.005 0.000 0.307 298 V C -1.198 175.135 176.094 0.399 0.000 1.129 298 V CA -0.780 61.789 62.300 0.449 0.000 0.932 298 V CB 2.233 34.307 31.823 0.420 0.000 1.024 298 V HN 0.904 nan 8.190 nan 0.000 0.426 299 Q N 2.814 122.818 119.800 0.340 0.000 2.353 299 Q HA 0.500 4.837 4.340 -0.005 0.000 0.275 299 Q C -2.093 174.148 176.000 0.402 0.000 1.029 299 Q CA -0.643 55.368 55.803 0.347 0.000 0.848 299 Q CB 3.289 32.210 28.738 0.304 0.000 1.390 299 Q HN 0.681 nan 8.270 nan 0.000 0.401 300 W N 1.629 123.032 121.300 0.171 0.000 3.097 300 W HA 0.771 5.429 4.660 -0.004 0.000 0.335 300 W C -1.947 174.661 176.519 0.149 0.000 1.114 300 W CA -0.603 56.833 57.345 0.152 0.000 1.231 300 W CB 1.559 31.086 29.460 0.111 0.000 1.388 300 W HN 0.695 nan 8.180 nan 0.000 0.485 301 A N 4.646 127.429 122.820 -0.062 0.000 2.515 301 A HA 0.817 5.134 4.320 -0.005 0.000 0.298 301 A C -1.624 175.894 177.584 -0.111 0.000 1.059 301 A CA -0.814 51.162 52.037 -0.102 0.000 0.698 301 A CB 1.617 20.695 19.000 0.129 0.000 1.289 301 A HN 0.687 nan 8.150 nan 0.000 0.404 302 N N 0.708 119.339 118.700 -0.116 0.000 2.262 302 N HA 0.544 5.281 4.740 -0.005 0.000 0.295 302 N C -1.146 174.347 175.510 -0.028 0.000 1.161 302 N CA -0.784 52.202 53.050 -0.107 0.000 0.767 302 N CB 2.065 40.366 38.487 -0.310 0.000 1.499 302 N HN 0.723 nan 8.380 nan 0.000 0.476 303 N N 0.601 119.085 118.700 -0.360 0.000 2.416 303 N HA 0.673 5.410 4.740 -0.005 0.000 0.276 303 N C -1.971 173.370 175.510 -0.281 0.000 1.261 303 N CA -0.453 52.405 53.050 -0.319 0.000 0.790 303 N CB 2.401 40.519 38.487 -0.616 0.000 1.554 303 N HN 0.310 nan 8.380 nan 0.000 0.481 304 V N 0.746 120.562 119.914 -0.164 0.000 3.188 304 V HA 0.589 4.706 4.120 -0.005 0.000 0.305 304 V C -1.201 174.842 176.094 -0.086 0.000 1.232 304 V CA -0.730 61.492 62.300 -0.130 0.000 1.043 304 V CB 1.899 33.666 31.823 -0.093 0.000 1.068 304 V HN 0.608 nan 8.190 nan 0.000 0.439 305 I N 3.200 123.724 120.570 -0.078 0.000 2.371 305 I HA 0.632 4.799 4.170 -0.005 0.000 0.290 305 I C -0.754 175.329 176.117 -0.058 0.000 1.028 305 I CA -0.329 60.932 61.300 -0.065 0.000 1.345 305 I CB 1.459 39.416 38.000 -0.072 0.000 1.407 305 I HN 0.533 nan 8.210 nan 0.000 0.501 306 V N 5.052 124.935 119.914 -0.051 0.000 2.817 306 V HA 0.754 4.871 4.120 -0.005 0.000 0.303 306 V C 0.398 176.468 176.094 -0.039 0.000 1.151 306 V CA -0.426 61.849 62.300 -0.042 0.000 0.929 306 V CB 0.854 32.664 31.823 -0.022 0.000 1.030 306 V HN 1.096 nan 8.190 nan 0.000 0.427 307 G N 3.027 111.797 108.800 -0.050 0.000 2.552 307 G HA2 -0.228 3.729 3.960 -0.005 0.000 0.265 307 G HA3 -0.228 3.729 3.960 -0.005 0.000 0.265 307 G C -0.103 174.697 174.900 -0.167 0.000 1.234 307 G CA 0.340 45.425 45.100 -0.026 0.000 0.944 307 G HN 1.004 nan 8.290 nan 0.000 0.568 308 H N 1.971 121.071 119.070 0.049 0.000 2.452 308 H HA 0.516 5.069 4.556 -0.005 0.000 0.240 308 H C 0.841 176.204 175.328 0.058 0.000 1.498 308 H CA 0.715 56.792 56.048 0.048 0.000 1.142 308 H CB -0.085 29.710 29.762 0.055 0.000 1.599 308 H HN 0.957 nan 8.280 nan 0.000 0.527 309 G N -0.139 108.690 108.800 0.047 0.000 2.645 309 G HA2 0.471 4.428 3.960 -0.005 0.000 0.292 309 G HA3 0.471 4.428 3.960 -0.005 0.000 0.292 309 G C -1.186 173.732 174.900 0.029 0.000 1.415 309 G CA -0.584 44.559 45.100 0.072 0.000 0.785 309 G HN 0.260 nan 8.290 nan 0.000 0.483 310 S N -1.424 114.300 115.700 0.039 0.000 2.607 310 S HA 0.795 5.262 4.470 -0.005 0.000 0.273 310 S C -1.144 173.473 174.600 0.028 0.000 1.148 310 S CA -0.766 57.443 58.200 0.015 0.000 0.833 310 S CB 1.980 65.188 63.200 0.014 0.000 1.130 310 S HN 1.015 nan 8.310 nan 0.000 0.470 311 I N 0.349 120.923 120.570 0.007 0.000 2.689 311 I HA 0.797 4.964 4.170 -0.005 0.000 0.299 311 I C -0.289 175.831 176.117 0.005 0.000 1.059 311 I CA -0.407 60.903 61.300 0.015 0.000 1.055 311 I CB 1.972 39.973 38.000 0.003 0.000 1.243 311 I HN 1.082 nan 8.210 nan 0.000 0.425 312 G N 4.383 113.203 108.800 0.033 0.000 2.704 312 G HA2 0.839 4.796 3.960 -0.005 0.000 0.293 312 G HA3 0.839 4.796 3.960 -0.005 0.000 0.293 312 G C -2.111 172.788 174.900 -0.001 0.000 1.421 312 G CA -0.320 44.807 45.100 0.044 0.000 0.870 312 G HN 0.910 nan 8.290 nan 0.000 0.492 313 A N -0.930 121.820 122.820 -0.116 0.000 2.604 313 A HA 0.997 5.314 4.320 -0.005 0.000 0.295 313 A C -0.164 177.038 177.584 -0.636 0.000 1.067 313 A CA 0.112 51.892 52.037 -0.429 0.000 0.683 313 A CB 1.642 20.442 19.000 -0.334 0.000 1.281 313 A HN 2.209 nan 8.150 nan 0.000 0.407 314 G N -0.884 107.203 108.800 -1.189 0.000 2.727 314 G HA2 0.709 4.666 3.960 -0.005 0.000 0.289 314 G HA3 0.709 4.666 3.960 -0.005 0.000 0.289 314 G C -1.496 173.190 174.900 -0.357 0.000 1.418 314 G CA -0.275 44.461 45.100 -0.607 0.000 0.818 314 G HN 1.373 nan 8.290 nan 0.000 0.486 315 V N -0.111 119.786 119.914 -0.028 0.000 2.914 315 V HA 0.776 4.892 4.120 -0.005 0.000 0.314 315 V C -1.280 174.971 176.094 0.262 0.000 1.084 315 V CA -0.617 61.768 62.300 0.142 0.000 0.963 315 V CB 2.165 34.101 31.823 0.188 0.000 1.025 315 V HN 0.920 nan 8.190 nan 0.000 0.432 316 D N 1.259 121.836 120.400 0.296 0.000 2.591 316 D HA 0.289 4.926 4.640 -0.005 0.000 0.222 316 D C -1.701 174.799 176.300 0.334 0.000 1.360 316 D CA -0.157 54.036 54.000 0.320 0.000 0.967 316 D CB 1.038 42.022 40.800 0.306 0.000 1.456 316 D HN 0.566 nan 8.370 nan 0.000 0.588 317 W N 4.309 125.707 121.300 0.164 0.000 2.656 317 W HA 0.609 5.266 4.660 -0.005 0.000 0.327 317 W C -1.383 175.224 176.519 0.148 0.000 1.041 317 W CA -0.664 56.764 57.345 0.139 0.000 1.229 317 W CB 1.583 31.114 29.460 0.117 0.000 1.397 317 W HN 0.423 nan 8.180 nan 0.000 0.479 318 Q N 4.977 124.307 119.800 -0.784 0.000 2.375 318 Q HA 0.421 4.758 4.340 -0.005 0.000 0.271 318 Q C -1.417 173.999 176.000 -0.974 0.000 1.074 318 Q CA -0.847 54.529 55.803 -0.711 0.000 0.808 318 Q CB 1.889 30.485 28.738 -0.236 0.000 1.327 318 Q HN 0.446 nan 8.270 nan 0.000 0.441 319 K N 3.378 123.383 120.400 -0.658 0.000 2.565 319 K HA 0.313 4.630 4.320 -0.005 0.000 0.249 319 K C -1.683 174.976 176.600 0.099 0.000 0.958 319 K CA -0.331 55.793 56.287 -0.272 0.000 0.806 319 K CB 1.751 34.070 32.500 -0.301 0.000 1.194 319 K HN 0.743 nan 8.250 nan 0.000 0.434 320 Q N 2.205 122.053 119.800 0.080 0.000 2.347 320 Q HA 0.186 4.523 4.340 -0.005 0.000 0.265 320 Q C -0.982 175.098 176.000 0.134 0.000 1.024 320 Q CA -0.662 55.215 55.803 0.124 0.000 0.731 320 Q CB 2.080 30.858 28.738 0.066 0.000 1.245 320 Q HN 0.635 nan 8.270 nan 0.000 0.472 321 T N -0.535 114.137 114.554 0.196 0.000 2.781 321 T HA 0.374 4.721 4.350 -0.005 0.000 0.305 321 T C 0.309 175.103 174.700 0.156 0.000 1.001 321 T CA -0.630 61.576 62.100 0.177 0.000 0.950 321 T CB 0.866 69.857 68.868 0.206 0.000 0.955 321 T HN 0.490 nan 8.240 nan 0.000 0.471 322 T N 1.717 116.338 114.554 0.111 0.000 2.902 322 T HA 0.532 4.879 4.350 -0.005 0.000 0.280 322 T C 0.175 174.966 174.700 0.152 0.000 0.992 322 T CA -0.474 61.679 62.100 0.089 0.000 1.015 322 T CB 1.280 70.154 68.868 0.011 0.000 1.044 322 T HN 0.569 nan 8.240 nan 0.000 0.520 323 T N 3.323 117.961 114.554 0.139 0.000 2.929 323 T HA 0.610 4.957 4.350 -0.005 0.000 0.284 323 T C -2.133 172.673 174.700 0.177 0.000 1.014 323 T CA -1.167 61.071 62.100 0.231 0.000 1.051 323 T CB 1.266 70.226 68.868 0.154 0.000 1.028 323 T HN 0.670 nan 8.240 nan 0.000 0.485 331 D N 1.404 122.030 120.400 0.376 0.000 2.121 331 D HA 0.042 4.679 4.640 -0.005 0.000 0.209 331 D C 0.848 177.049 176.300 -0.165 0.000 0.981 331 D CA 1.603 55.654 54.000 0.084 0.000 0.875 331 D CB -0.423 40.324 40.800 -0.089 0.000 1.016 331 D HN 0.179 nan 8.370 nan 0.000 0.452 332 G N -1.006 107.439 108.800 -0.592 0.000 2.334 332 G HA2 0.262 4.219 3.960 -0.005 0.000 0.261 332 G HA3 0.262 4.219 3.960 -0.005 0.000 0.261 332 G C -0.594 173.616 174.900 -1.149 0.000 1.257 332 G CA 0.116 44.769 45.100 -0.745 0.000 0.935 332 G HN 0.408 nan 8.290 nan 0.000 0.480 333 Y N 0.407 120.657 120.300 -0.083 0.000 3.307 333 Y HA 0.182 4.729 4.550 -0.005 0.000 0.183 333 Y C 0.257 176.162 175.900 0.009 0.000 0.998 333 Y CA -0.175 57.909 58.100 -0.028 0.000 1.715 333 Y CB 0.868 39.301 38.460 -0.044 0.000 1.432 333 Y HN 0.510 nan 8.280 nan 0.000 0.339 334 D N 0.920 121.412 120.400 0.154 0.000 2.629 334 D HA 0.300 4.937 4.640 -0.005 0.000 0.250 334 D C -1.238 175.112 176.300 0.082 0.000 1.126 334 D CA -0.163 53.907 54.000 0.117 0.000 0.852 334 D CB 2.100 42.963 40.800 0.106 0.000 1.335 334 D HN 0.272 nan 8.370 nan 0.000 0.518 335 Q N 2.986 122.828 119.800 0.070 0.000 2.345 335 Q HA 0.576 4.913 4.340 -0.005 0.000 0.275 335 Q C -1.358 174.650 176.000 0.014 0.000 1.063 335 Q CA -0.777 55.060 55.803 0.057 0.000 0.819 335 Q CB 1.861 30.645 28.738 0.076 0.000 1.356 335 Q HN 0.368 nan 8.270 nan 0.000 0.418 336 R N 1.916 122.416 120.500 -0.001 0.000 2.686 336 R HA 0.533 4.870 4.340 -0.005 0.000 0.283 336 R C -1.066 175.195 176.300 -0.065 0.000 0.978 336 R CA -0.678 55.388 56.100 -0.057 0.000 0.897 336 R CB 1.874 32.187 30.300 0.022 0.000 1.192 336 R HN 0.533 nan 8.270 nan 0.000 0.457 337 N N 0.439 119.059 118.700 -0.133 0.000 2.229 337 N HA 0.486 5.223 4.740 -0.005 0.000 0.298 337 N C -1.489 174.013 175.510 -0.013 0.000 1.114 337 N CA -0.317 52.698 53.050 -0.058 0.000 0.776 337 N CB 2.436 40.917 38.487 -0.011 0.000 1.501 337 N HN 0.434 nan 8.380 nan 0.000 0.474 338 T N 0.497 115.102 114.554 0.084 0.000 2.971 338 T HA 0.617 4.964 4.350 -0.005 0.000 0.304 338 T C -0.419 174.377 174.700 0.160 0.000 1.038 338 T CA -0.598 61.605 62.100 0.173 0.000 1.007 338 T CB 1.649 70.662 68.868 0.240 0.000 1.055 338 T HN 0.576 nan 8.240 nan 0.000 0.451 339 G N 1.434 110.350 108.800 0.194 0.000 2.533 339 G HA2 0.808 4.765 3.960 -0.005 0.000 0.304 339 G HA3 0.808 4.765 3.960 -0.005 0.000 0.304 339 G C -1.654 173.370 174.900 0.207 0.000 1.263 339 G CA -0.624 44.595 45.100 0.198 0.000 0.964 339 G HN 0.820 nan 8.290 nan 0.000 0.479 340 I N 1.041 121.718 120.570 0.177 0.000 2.533 340 I HA 0.691 4.858 4.170 -0.005 0.000 0.290 340 I C -1.258 174.939 176.117 0.133 0.000 1.056 340 I CA -1.243 60.120 61.300 0.106 0.000 1.057 340 I CB 1.672 39.700 38.000 0.047 0.000 1.240 340 I HN 0.693 nan 8.210 nan 0.000 0.423 341 Y N 5.704 126.017 120.300 0.022 0.000 2.665 341 Y HA 0.815 5.362 4.550 -0.005 0.000 0.336 341 Y C -2.060 173.837 175.900 -0.005 0.000 1.085 341 Y CA -1.430 56.676 58.100 0.010 0.000 1.096 341 Y CB 1.083 39.540 38.460 -0.005 0.000 1.301 341 Y HN 0.430 nan 8.280 nan 0.000 0.493 342 L N 1.985 123.293 121.223 0.141 0.000 2.365 342 L HA 0.726 5.063 4.340 -0.005 0.000 0.273 342 L C -0.384 176.622 176.870 0.227 0.000 1.000 342 L CA -0.203 54.697 54.840 0.101 0.000 0.819 342 L CB 2.218 44.311 42.059 0.058 0.000 1.284 342 L HN 1.029 nan 8.230 nan 0.000 0.418 343 T N 0.237 114.908 114.554 0.195 0.000 2.924 343 T HA 0.926 5.273 4.350 -0.005 0.000 0.291 343 T C -0.263 174.497 174.700 0.100 0.000 1.045 343 T CA -0.638 61.550 62.100 0.146 0.000 1.015 343 T CB 1.894 70.853 68.868 0.153 0.000 1.103 343 T HN 0.822 nan 8.240 nan 0.000 0.496 344 G N 1.392 110.249 108.800 0.095 0.000 2.687 344 G HA2 0.616 4.573 3.960 -0.005 0.000 0.301 344 G HA3 0.616 4.573 3.960 -0.005 0.000 0.301 344 G C -1.543 173.418 174.900 0.101 0.000 1.416 344 G CA -0.759 44.394 45.100 0.089 0.000 1.005 344 G HN 0.876 nan 8.290 nan 0.000 0.509 345 L N 1.651 122.933 121.223 0.098 0.000 2.329 345 L HA 0.675 5.012 4.340 -0.005 0.000 0.279 345 L C -0.621 176.330 176.870 0.136 0.000 1.014 345 L CA -0.736 54.172 54.840 0.114 0.000 0.814 345 L CB 2.022 44.136 42.059 0.091 0.000 1.257 345 L HN 0.383 nan 8.230 nan 0.000 0.424 346 Q N 2.539 122.456 119.800 0.194 0.000 2.590 346 Q HA 0.410 4.746 4.340 -0.005 0.000 0.295 346 Q C -1.771 174.391 176.000 0.269 0.000 0.973 346 Q CA -0.673 55.260 55.803 0.218 0.000 0.768 346 Q CB 2.881 31.747 28.738 0.214 0.000 1.479 346 Q HN 0.559 nan 8.270 nan 0.000 0.419 347 Q N 0.722 120.678 119.800 0.260 0.000 2.310 347 Q HA 0.621 4.958 4.340 -0.005 0.000 0.270 347 Q C -1.304 174.854 176.000 0.265 0.000 1.025 347 Q CA -0.532 55.419 55.803 0.247 0.000 0.772 347 Q CB 2.753 31.602 28.738 0.185 0.000 1.253 347 Q HN 0.334 nan 8.270 nan 0.000 0.450 348 V N 2.539 122.655 119.914 0.337 0.000 2.447 348 V HA 0.804 4.921 4.120 -0.005 0.000 0.292 348 V C 0.263 176.555 176.094 0.329 0.000 1.021 348 V CA 0.768 63.246 62.300 0.297 0.000 0.850 348 V CB 0.584 32.579 31.823 0.287 0.000 1.005 348 V HN 0.976 nan 8.190 nan 0.000 0.426 349 G N 6.129 115.054 108.800 0.208 0.000 2.556 349 G HA2 -0.268 3.689 3.960 -0.005 0.000 0.283 349 G HA3 -0.268 3.689 3.960 -0.005 0.000 0.283 349 G C 0.176 175.155 174.900 0.133 0.000 1.177 349 G CA 0.574 45.790 45.100 0.194 0.000 0.978 349 G HN 0.923 nan 8.290 nan 0.000 0.554 350 D N 0.957 121.427 120.400 0.117 0.000 2.395 350 D HA 0.356 4.993 4.640 -0.005 0.000 0.226 350 D C -0.067 176.049 176.300 -0.307 0.000 1.146 350 D CA 0.378 54.348 54.000 -0.051 0.000 0.830 350 D CB -0.054 40.735 40.800 -0.019 0.000 0.958 350 D HN 0.142 nan 8.370 nan 0.000 0.501 351 F N 0.441 120.472 119.950 0.134 0.000 2.444 351 F HA 0.276 4.800 4.527 -0.005 0.000 0.342 351 F C 0.896 176.618 175.800 -0.130 0.000 1.121 351 F CA -0.470 57.526 58.000 -0.006 0.000 0.997 351 F CB 2.087 41.123 39.000 0.059 0.000 1.130 351 F HN -0.401 nan 8.300 nan 0.000 0.454 352 T N 4.037 118.465 114.554 -0.211 0.000 2.895 352 T HA 0.665 5.012 4.350 -0.005 0.000 0.283 352 T C -1.209 173.095 174.700 -0.660 0.000 1.014 352 T CA -0.319 61.654 62.100 -0.210 0.000 1.037 352 T CB 0.515 69.316 68.868 -0.110 0.000 1.006 352 T HN 0.225 nan 8.240 nan 0.000 0.468 353 F N 1.688 121.718 119.950 0.133 0.000 2.547 353 F HA 0.532 5.056 4.527 -0.005 0.000 0.316 353 F C 0.238 176.085 175.800 0.078 0.000 1.121 353 F CA -0.944 57.121 58.000 0.108 0.000 0.911 353 F CB 1.813 40.874 39.000 0.102 0.000 1.179 353 F HN 0.391 nan 8.300 nan 0.000 0.443 354 E N 1.603 121.917 120.200 0.191 0.000 2.292 354 E HA 0.747 5.094 4.350 -0.005 0.000 0.272 354 E C -1.089 175.580 176.600 0.113 0.000 0.881 354 E CA -0.681 55.793 56.400 0.123 0.000 0.754 354 E CB 2.409 32.142 29.700 0.054 0.000 1.201 354 E HN 0.895 nan 8.360 nan 0.000 0.425 355 G N 1.244 110.108 108.800 0.107 0.000 2.684 355 G HA2 0.790 4.747 3.960 -0.005 0.000 0.290 355 G HA3 0.790 4.747 3.960 -0.005 0.000 0.290 355 G C -1.704 173.250 174.900 0.090 0.000 1.425 355 G CA -0.193 44.969 45.100 0.103 0.000 0.822 355 G HN 0.596 nan 8.290 nan 0.000 0.482 356 A N -1.134 121.745 122.820 0.098 0.000 2.589 356 A HA 1.042 5.359 4.320 -0.005 0.000 0.296 356 A C -0.534 177.138 177.584 0.146 0.000 1.062 356 A CA 0.156 52.250 52.037 0.094 0.000 0.686 356 A CB 1.467 20.474 19.000 0.011 0.000 1.282 356 A HN 2.479 nan 8.150 nan 0.000 0.404 357 A N 0.986 123.907 122.820 0.168 0.000 2.606 357 A HA 0.971 5.288 4.320 -0.005 0.000 0.293 357 A C -0.646 177.055 177.584 0.195 0.000 1.082 357 A CA -0.512 51.637 52.037 0.187 0.000 0.685 357 A CB 1.570 20.683 19.000 0.189 0.000 1.284 357 A HN 1.372 nan 8.150 nan 0.000 0.408 358 R N 0.441 121.045 120.500 0.173 0.000 2.561 358 R HA 0.585 4.922 4.340 -0.005 0.000 0.266 358 R C -1.484 174.900 176.300 0.141 0.000 1.091 358 R CA -0.177 56.035 56.100 0.187 0.000 0.927 358 R CB 2.019 32.440 30.300 0.201 0.000 1.240 358 R HN 0.788 nan 8.270 nan 0.000 0.449 359 S N 1.487 117.261 115.700 0.123 0.000 2.525 359 S HA 0.388 4.855 4.470 -0.005 0.000 0.290 359 S C -1.249 173.434 174.600 0.137 0.000 1.152 359 S CA -0.514 57.746 58.200 0.100 0.000 1.072 359 S CB 1.178 64.414 63.200 0.060 0.000 1.027 359 S HN 0.565 nan 8.310 nan 0.000 0.500 360 D N 1.594 122.081 120.400 0.145 0.000 2.342 360 D HA 0.439 5.076 4.640 -0.005 0.000 0.243 360 D C -1.466 174.875 176.300 0.069 0.000 1.019 360 D CA -0.445 53.645 54.000 0.151 0.000 0.864 360 D CB 1.399 42.346 40.800 0.245 0.000 1.315 360 D HN 0.346 nan 8.370 nan 0.000 0.468 361 D N 0.739 121.156 120.400 0.029 0.000 2.425 361 D HA 0.308 4.945 4.640 -0.005 0.000 0.240 361 D C -1.419 174.801 176.300 -0.132 0.000 1.080 361 D CA -0.676 53.291 54.000 -0.055 0.000 0.836 361 D CB 0.765 41.563 40.800 -0.003 0.000 1.125 361 D HN 0.219 nan 8.370 nan 0.000 0.525 362 N N 1.157 119.635 118.700 -0.371 0.000 2.342 362 N HA 0.193 4.930 4.740 -0.005 0.000 0.293 362 N C 0.599 175.879 175.510 -0.383 0.000 1.026 362 N CA -0.522 52.238 53.050 -0.484 0.000 0.857 362 N CB 1.599 39.406 38.487 -1.134 0.000 1.256 362 N HN 0.134 nan 8.380 nan 0.000 0.484 363 S N 2.267 117.864 115.700 -0.171 0.000 2.555 363 S HA -0.137 4.330 4.470 -0.005 0.000 0.230 363 S C 1.225 175.807 174.600 -0.030 0.000 0.978 363 S CA 0.573 58.730 58.200 -0.071 0.000 0.934 363 S CB -0.192 63.007 63.200 -0.001 0.000 0.766 363 S HN 0.762 nan 8.310 nan 0.000 0.533 364 Q N 0.935 120.708 119.800 -0.044 0.000 2.287 364 Q HA 0.046 4.383 4.340 -0.005 0.000 0.201 364 Q C 1.535 177.572 176.000 0.061 0.000 0.946 364 Q CA 1.034 56.877 55.803 0.068 0.000 0.868 364 Q CB -0.094 28.737 28.738 0.154 0.000 0.967 364 Q HN 0.775 nan 8.270 nan 0.000 0.516 365 F N -1.360 118.599 119.950 0.014 0.000 2.682 365 F HA 0.592 5.116 4.527 -0.005 0.000 0.308 365 F C 0.909 176.707 175.800 -0.003 0.000 1.093 365 F CA 0.303 58.296 58.000 -0.011 0.000 1.244 365 F CB 0.411 39.379 39.000 -0.053 0.000 1.052 365 F HN 0.271 nan 8.300 nan 0.000 0.573 366 G N 1.972 110.539 108.800 -0.388 0.000 2.669 366 G HA2 -0.276 3.681 3.960 -0.005 0.000 0.250 366 G HA3 -0.276 3.681 3.960 -0.005 0.000 0.250 366 G C -0.343 174.429 174.900 -0.213 0.000 1.247 366 G CA -0.115 44.869 45.100 -0.193 0.000 0.958 366 G HN 0.736 nan 8.290 nan 0.000 0.559 367 R N 0.785 121.284 120.500 -0.002 0.000 2.474 367 R HA 0.684 5.021 4.340 -0.005 0.000 0.295 367 R C -0.548 175.886 176.300 0.222 0.000 0.980 367 R CA -0.546 55.589 56.100 0.059 0.000 0.934 367 R CB 0.959 31.283 30.300 0.040 0.000 1.101 367 R HN 0.875 nan 8.270 nan 0.000 0.469 368 H N 1.557 120.687 119.070 0.100 0.000 3.046 368 H HA 0.455 5.008 4.556 -0.005 0.000 0.361 368 H C -1.500 173.857 175.328 0.048 0.000 1.235 368 H CA -0.431 55.646 56.048 0.048 0.000 1.146 368 H CB 2.378 32.092 29.762 -0.079 0.000 1.859 368 H HN 0.896 nan 8.280 nan 0.000 0.548 369 G N 0.436 108.929 108.800 -0.511 0.000 2.798 369 G HA2 0.538 4.495 3.960 -0.005 0.000 0.286 369 G HA3 0.538 4.495 3.960 -0.005 0.000 0.286 369 G C -1.336 173.490 174.900 -0.123 0.000 1.389 369 G CA -0.519 44.463 45.100 -0.196 0.000 0.894 369 G HN 0.524 nan 8.290 nan 0.000 0.488 370 T N 0.494 115.103 114.554 0.092 0.000 3.128 370 T HA 0.524 4.871 4.350 -0.005 0.000 0.363 370 T C -2.107 172.776 174.700 0.306 0.000 1.610 370 T CA -0.557 61.670 62.100 0.211 0.000 1.126 370 T CB 0.840 69.843 68.868 0.225 0.000 1.416 370 T HN 1.025 nan 8.240 nan 0.000 0.480 371 W N 4.223 125.508 121.300 -0.026 0.000 3.118 371 W HA 0.771 5.428 4.660 -0.005 0.000 0.328 371 W C -1.823 174.653 176.519 -0.072 0.000 1.239 371 W CA -1.113 56.218 57.345 -0.024 0.000 1.176 371 W CB 0.666 30.132 29.460 0.010 0.000 1.433 371 W HN 0.862 nan 8.180 nan 0.000 0.562 372 Q N 1.296 121.015 119.800 -0.136 0.000 2.462 372 Q HA 0.828 5.165 4.340 -0.005 0.000 0.285 372 Q C -1.262 174.649 176.000 -0.148 0.000 1.035 372 Q CA -0.815 54.775 55.803 -0.354 0.000 0.799 372 Q CB 2.784 31.351 28.738 -0.285 0.000 1.452 372 Q HN 0.418 nan 8.270 nan 0.000 0.404 373 T N 0.058 114.498 114.554 -0.189 0.000 2.864 373 T HA 0.768 5.115 4.350 -0.005 0.000 0.299 373 T C -0.884 173.805 174.700 -0.017 0.000 1.166 373 T CA -0.793 61.301 62.100 -0.010 0.000 1.007 373 T CB 1.865 70.778 68.868 0.075 0.000 1.219 373 T HN 0.581 nan 8.240 nan 0.000 0.506 374 S N -0.095 115.635 115.700 0.049 0.000 2.537 374 S HA 0.813 5.280 4.470 -0.005 0.000 0.271 374 S C -1.382 173.255 174.600 0.063 0.000 1.148 374 S CA -0.872 57.343 58.200 0.025 0.000 0.868 374 S CB 1.806 64.990 63.200 -0.028 0.000 1.115 374 S HN 1.177 nan 8.310 nan 0.000 0.461 375 A N 1.135 123.968 122.820 0.023 0.000 2.449 375 A HA 0.945 5.262 4.320 -0.005 0.000 0.302 375 A C -0.086 177.451 177.584 -0.078 0.000 1.048 375 A CA -0.469 51.521 52.037 -0.079 0.000 0.708 375 A CB 1.567 20.621 19.000 0.089 0.000 1.274 375 A HN 1.039 nan 8.150 nan 0.000 0.410 376 G N -0.393 108.322 108.800 -0.141 0.000 2.600 376 G HA2 0.593 4.550 3.960 -0.005 0.000 0.303 376 G HA3 0.593 4.550 3.960 -0.005 0.000 0.303 376 G C -1.758 173.199 174.900 0.095 0.000 1.253 376 G CA -0.499 44.574 45.100 -0.045 0.000 0.974 376 G HN 0.939 nan 8.290 nan 0.000 0.483 377 W N 1.310 122.543 121.300 -0.111 0.000 2.802 377 W HA 0.475 5.132 4.660 -0.005 0.000 0.331 377 W C -0.734 175.761 176.519 -0.041 0.000 1.021 377 W CA -1.698 55.483 57.345 -0.272 0.000 1.259 377 W CB 1.297 30.734 29.460 -0.038 0.000 1.323 377 W HN 0.552 nan 8.180 nan 0.000 0.432 378 E N 5.348 125.439 120.200 -0.183 0.000 1.941 378 E HA 0.113 4.460 4.350 -0.005 0.000 0.275 378 E C 0.522 176.951 176.600 -0.286 0.000 1.113 378 E CA -0.262 56.011 56.400 -0.211 0.000 0.878 378 E CB -0.054 29.553 29.700 -0.156 0.000 1.070 378 E HN 0.424 nan 8.360 nan 0.000 0.399 379 F N 3.909 123.474 119.950 -0.642 0.000 2.698 379 F HA 0.369 4.892 4.527 -0.005 0.000 0.295 379 F C 0.247 175.902 175.800 -0.241 0.000 1.124 379 F CA -0.432 57.184 58.000 -0.641 0.000 1.426 379 F CB 0.274 38.636 39.000 -1.063 0.000 1.120 379 F HN 0.079 nan 8.300 nan 0.000 0.583 380 I N 0.376 120.574 120.570 -0.621 0.000 3.004 380 I HA 0.184 4.351 4.170 -0.005 0.000 0.305 380 I C -0.919 175.051 176.117 -0.245 0.000 1.312 380 I CA -1.171 59.914 61.300 -0.358 0.000 0.992 380 I CB 2.331 40.054 38.000 -0.462 0.000 1.282 380 I HN -0.114 nan 8.210 nan 0.000 0.449 381 E N 2.227 122.365 120.200 -0.103 0.000 2.366 381 E HA 0.405 4.752 4.350 -0.005 0.000 0.266 381 E C 0.820 177.390 176.600 -0.051 0.000 1.015 381 E CA 1.010 57.362 56.400 -0.080 0.000 0.906 381 E CB 0.526 30.198 29.700 -0.047 0.000 0.979 381 E HN 0.830 nan 8.360 nan 0.000 0.443 382 G N 3.118 111.829 108.800 -0.149 0.000 2.201 382 G HA2 -0.247 3.710 3.960 -0.005 0.000 0.212 382 G HA3 -0.247 3.710 3.960 -0.005 0.000 0.212 382 G C -0.666 173.930 174.900 -0.508 0.000 0.994 382 G CA 0.032 44.966 45.100 -0.277 0.000 0.644 382 G HN 0.482 nan 8.290 nan 0.000 0.508 383 Y N -0.052 119.997 120.300 -0.420 0.000 2.446 383 Y HA 0.841 5.388 4.550 -0.005 0.000 0.345 383 Y C 0.474 176.066 175.900 -0.513 0.000 0.984 383 Y CA -0.869 56.914 58.100 -0.528 0.000 1.058 383 Y CB 2.066 40.029 38.460 -0.829 0.000 1.220 383 Y HN 0.339 nan 8.280 nan 0.000 0.455 384 R N 2.670 123.142 120.500 -0.047 0.000 2.561 384 R HA 0.506 4.843 4.340 -0.005 0.000 0.266 384 R C -2.501 173.856 176.300 0.094 0.000 1.091 384 R CA -0.659 55.459 56.100 0.029 0.000 0.927 384 R CB 1.268 31.487 30.300 -0.136 0.000 1.240 384 R HN 0.601 nan 8.270 nan 0.000 0.449 385 F N 6.132 126.031 119.950 -0.084 0.000 2.477 385 F HA 0.631 5.155 4.527 -0.005 0.000 0.335 385 F C -1.510 174.151 175.800 -0.232 0.000 1.130 385 F CA -0.675 57.070 58.000 -0.424 0.000 0.948 385 F CB 1.083 39.654 39.000 -0.714 0.000 1.154 385 F HN 0.368 nan 8.300 nan 0.000 0.439 386 I N 5.769 125.520 120.570 -1.365 0.000 2.465 386 I HA 0.713 4.880 4.170 -0.005 0.000 0.291 386 I C -0.563 175.002 176.117 -0.920 0.000 1.014 386 I CA -0.944 59.869 61.300 -0.812 0.000 1.093 386 I CB 1.872 39.591 38.000 -0.469 0.000 1.267 386 I HN 0.783 nan 8.210 nan 0.000 0.431 387 A N 4.190 126.769 122.820 -0.401 0.000 2.356 387 A HA 0.933 5.250 4.320 -0.005 0.000 0.323 387 A C -0.682 176.896 177.584 -0.011 0.000 1.119 387 A CA -0.441 51.532 52.037 -0.107 0.000 0.790 387 A CB 1.630 20.718 19.000 0.147 0.000 1.273 387 A HN 0.614 nan 8.150 nan 0.000 0.452 388 S N -0.511 115.216 115.700 0.045 0.000 2.556 388 S HA 0.673 5.140 4.470 -0.005 0.000 0.271 388 S C -1.818 172.815 174.600 0.056 0.000 1.135 388 S CA -0.349 57.861 58.200 0.016 0.000 0.858 388 S CB 1.446 64.608 63.200 -0.062 0.000 1.114 388 S HN 0.777 nan 8.310 nan 0.000 0.468 389 Y N 0.379 120.551 120.300 -0.213 0.000 2.524 389 Y HA 0.744 5.291 4.550 -0.005 0.000 0.347 389 Y C -0.270 175.285 175.900 -0.575 0.000 1.005 389 Y CA -0.264 57.582 58.100 -0.423 0.000 1.025 389 Y CB 1.897 40.097 38.460 -0.432 0.000 1.275 389 Y HN 0.929 nan 8.280 nan 0.000 0.460 390 G N 1.618 109.197 108.800 -2.035 0.000 2.667 390 G HA2 0.499 4.456 3.960 -0.005 0.000 0.294 390 G HA3 0.499 4.456 3.960 -0.005 0.000 0.294 390 G C -1.843 172.350 174.900 -1.178 0.000 1.467 390 G CA -0.791 43.527 45.100 -1.303 0.000 0.852 390 G HN 0.574 nan 8.290 nan 0.000 0.521 391 T N 0.479 114.597 114.554 -0.727 0.000 2.949 391 T HA 0.732 5.079 4.350 -0.005 0.000 0.300 391 T C -0.090 174.516 174.700 -0.157 0.000 0.988 391 T CA -0.049 61.814 62.100 -0.394 0.000 0.993 391 T CB 1.011 69.728 68.868 -0.253 0.000 0.984 391 T HN 1.301 nan 8.240 nan 0.000 0.442 392 S N 3.144 118.782 115.700 -0.103 0.000 2.732 392 S HA 0.966 5.433 4.470 -0.005 0.000 0.293 392 S C -1.451 173.180 174.600 0.052 0.000 1.159 392 S CA -0.869 57.300 58.200 -0.051 0.000 0.847 392 S CB 2.064 65.157 63.200 -0.178 0.000 1.169 392 S HN 0.901 nan 8.310 nan 0.000 0.501 393 Y N -1.228 119.029 120.300 -0.071 0.000 2.713 393 Y HA 0.845 5.392 4.550 -0.005 0.000 0.335 393 Y C -1.828 173.983 175.900 -0.149 0.000 1.222 393 Y CA -1.043 56.987 58.100 -0.117 0.000 1.061 393 Y CB 0.788 39.206 38.460 -0.069 0.000 1.314 393 Y HN 0.922 nan 8.280 nan 0.000 0.453 394 K N 2.027 122.543 120.400 0.194 0.000 2.513 394 K HA 0.848 5.165 4.320 -0.005 0.000 0.251 394 K C -1.430 175.266 176.600 0.160 0.000 0.939 394 K CA -0.177 56.156 56.287 0.075 0.000 0.793 394 K CB 1.998 34.473 32.500 -0.041 0.000 1.241 394 K HN 1.172 nan 8.250 nan 0.000 0.431 395 A N 4.841 127.771 122.820 0.183 0.000 2.371 395 A HA 0.572 4.889 4.320 -0.005 0.000 0.257 395 A C -2.263 175.336 177.584 0.024 0.000 1.089 395 A CA -1.211 50.893 52.037 0.111 0.000 0.794 395 A CB -0.279 18.887 19.000 0.276 0.000 1.029 395 A HN 0.628 nan 8.150 nan 0.000 0.488 396 P HA 0.166 nan 4.420 nan 0.000 0.269 396 P C -0.709 176.573 177.300 -0.030 0.000 1.215 396 P CA -0.099 62.962 63.100 -0.065 0.000 0.780 396 P CB 0.501 32.143 31.700 -0.096 0.000 0.898 397 N N 0.664 119.320 118.700 -0.074 0.000 2.430 397 N HA 0.196 4.933 4.740 -0.005 0.000 0.298 397 N C 0.856 176.332 175.510 -0.057 0.000 1.130 397 N CA -0.768 52.254 53.050 -0.046 0.000 0.894 397 N CB 0.343 38.794 38.487 -0.060 0.000 1.209 397 N HN 0.128 nan 8.380 nan 0.000 0.503 398 L N -0.023 121.209 121.223 0.014 0.000 2.137 398 L HA -0.165 4.172 4.340 -0.005 0.000 0.213 398 L C 2.181 179.078 176.870 0.045 0.000 1.085 398 L CA 1.869 56.764 54.840 0.091 0.000 0.760 398 L CB -1.108 41.012 42.059 0.101 0.000 0.893 398 L HN 0.899 nan 8.230 nan 0.000 0.434 399 G N -0.507 108.295 108.800 0.004 0.000 2.404 399 G HA2 -0.213 3.744 3.960 -0.005 0.000 0.215 399 G HA3 -0.213 3.744 3.960 -0.005 0.000 0.215 399 G C 1.500 176.410 174.900 0.016 0.000 1.174 399 G CA 0.238 45.361 45.100 0.038 0.000 0.780 399 G HN 0.441 nan 8.290 nan 0.000 0.537 400 Q N -0.484 119.219 119.800 -0.163 0.000 2.297 400 Q HA 0.183 4.520 4.340 -0.005 0.000 0.204 400 Q C 2.359 178.254 176.000 -0.175 0.000 0.962 400 Q CA 0.442 56.026 55.803 -0.365 0.000 0.879 400 Q CB 0.028 28.487 28.738 -0.465 0.000 0.947 400 Q HN 0.420 nan 8.270 nan 0.000 0.462 401 L N -1.805 119.288 121.223 -0.217 0.000 2.265 401 L HA 0.020 4.357 4.340 -0.005 0.000 0.195 401 L C 0.724 177.302 176.870 -0.487 0.000 1.083 401 L CA 0.682 55.214 54.840 -0.512 0.000 0.798 401 L CB 0.386 41.927 42.059 -0.863 0.000 0.989 401 L HN 0.143 nan 8.230 nan 0.000 0.472 402 Y N -0.627 119.698 120.300 0.041 0.000 2.716 402 Y HA 0.360 4.907 4.550 -0.005 0.000 0.260 402 Y C 1.047 176.980 175.900 0.055 0.000 1.141 402 Y CA -0.691 57.433 58.100 0.039 0.000 1.168 402 Y CB 0.253 38.711 38.460 -0.003 0.000 1.189 402 Y HN 0.025 nan 8.280 nan 0.000 0.549 403 G N -0.131 108.790 108.800 0.202 0.000 2.494 403 G HA2 -0.026 3.931 3.960 -0.005 0.000 0.270 403 G HA3 -0.026 3.931 3.960 -0.005 0.000 0.270 403 G C 0.547 175.578 174.900 0.218 0.000 1.423 403 G CA -0.431 44.793 45.100 0.207 0.000 1.055 403 G HN 0.466 nan 8.290 nan 0.000 0.536 404 F N -1.121 118.778 119.950 -0.085 0.000 2.615 404 F HA 0.158 4.682 4.527 -0.005 0.000 0.297 404 F C 0.867 176.414 175.800 -0.423 0.000 1.124 404 F CA 0.176 57.981 58.000 -0.325 0.000 1.451 404 F CB 0.338 38.984 39.000 -0.591 0.000 1.103 404 F HN 0.353 nan 8.300 nan 0.000 0.569 405 Y N 0.432 120.918 120.300 0.310 0.000 2.706 405 Y HA 0.363 4.910 4.550 -0.005 0.000 0.255 405 Y C 1.196 177.221 175.900 0.208 0.000 1.163 405 Y CA -0.465 57.725 58.100 0.150 0.000 1.174 405 Y CB -0.356 38.132 38.460 0.046 0.000 1.200 405 Y HN -0.043 nan 8.280 nan 0.000 0.544 406 G N 1.768 110.780 108.800 0.353 0.000 2.583 406 G HA2 -0.073 3.884 3.960 -0.005 0.000 0.230 406 G HA3 -0.073 3.884 3.960 -0.005 0.000 0.230 406 G C -0.129 174.831 174.900 0.101 0.000 1.249 406 G CA -0.060 45.174 45.100 0.224 0.000 0.857 406 G HN 0.579 nan 8.290 nan 0.000 0.569 407 N N 1.443 120.134 118.700 -0.015 0.000 2.701 407 N HA 0.289 5.026 4.740 -0.005 0.000 0.258 407 N C -2.420 173.011 175.510 -0.132 0.000 1.262 407 N CA -1.550 51.456 53.050 -0.073 0.000 0.780 407 N CB 2.111 40.511 38.487 -0.145 0.000 1.380 407 N HN 0.142 nan 8.380 nan 0.000 0.548 408 P HA 0.134 nan 4.420 nan 0.000 0.253 408 P C -0.223 177.029 177.300 -0.080 0.000 1.281 408 P CA 0.338 63.290 63.100 -0.247 0.000 0.792 408 P CB 0.042 31.757 31.700 0.025 0.000 1.193 409 N N -0.653 118.024 118.700 -0.038 0.000 2.234 409 N HA 0.163 4.900 4.740 -0.005 0.000 0.227 409 N C 0.171 175.686 175.510 0.008 0.000 1.151 409 N CA -0.120 52.940 53.050 0.016 0.000 0.865 409 N CB 0.202 38.712 38.487 0.038 0.000 1.066 409 N HN 0.218 nan 8.380 nan 0.000 0.515 410 L N 0.840 122.040 121.223 -0.038 0.000 2.439 410 L HA 0.121 4.458 4.340 -0.005 0.000 0.269 410 L C 0.715 177.554 176.870 -0.052 0.000 1.179 410 L CA 0.055 54.865 54.840 -0.049 0.000 0.828 410 L CB 0.639 42.639 42.059 -0.097 0.000 1.106 410 L HN -0.020 nan 8.230 nan 0.000 0.467 411 D N 2.471 122.820 120.400 -0.085 0.000 2.383 411 D HA 0.279 4.916 4.640 -0.005 0.000 0.248 411 D C -2.212 173.873 176.300 -0.359 0.000 1.170 411 D CA -1.038 52.838 54.000 -0.207 0.000 0.977 411 D CB 0.758 41.465 40.800 -0.155 0.000 1.120 411 D HN 0.237 nan 8.370 nan 0.000 0.481 412 P HA 0.145 nan 4.420 nan 0.000 0.277 412 P C -0.736 176.375 177.300 -0.316 0.000 1.276 412 P CA -0.232 62.509 63.100 -0.598 0.000 0.788 412 P CB 0.659 31.748 31.700 -1.018 0.000 1.114 413 E N 0.165 120.266 120.200 -0.166 0.000 2.191 413 E HA 0.274 4.621 4.350 -0.005 0.000 0.278 413 E C -0.510 176.054 176.600 -0.061 0.000 0.972 413 E CA -0.716 55.642 56.400 -0.069 0.000 0.804 413 E CB 1.025 30.747 29.700 0.037 0.000 1.110 413 E HN 0.222 nan 8.360 nan 0.000 0.394 414 K N 1.678 122.061 120.400 -0.028 0.000 2.213 414 K HA 0.337 4.654 4.320 -0.005 0.000 0.270 414 K C -0.530 176.079 176.600 0.014 0.000 1.002 414 K CA -0.483 55.815 56.287 0.018 0.000 0.868 414 K CB 1.912 34.445 32.500 0.054 0.000 1.093 414 K HN 0.255 nan 8.250 nan 0.000 0.454 415 S N 2.665 118.354 115.700 -0.018 0.000 2.509 415 S HA 0.398 4.865 4.470 -0.005 0.000 0.297 415 S C -0.952 173.591 174.600 -0.094 0.000 1.118 415 S CA -0.767 57.403 58.200 -0.050 0.000 1.074 415 S CB 0.680 63.809 63.200 -0.118 0.000 1.038 415 S HN 0.454 nan 8.310 nan 0.000 0.498 416 K N 2.432 122.773 120.400 -0.098 0.000 2.316 416 K HA 0.515 4.832 4.320 -0.005 0.000 0.251 416 K C -1.019 175.385 176.600 -0.326 0.000 0.934 416 K CA -0.718 55.379 56.287 -0.316 0.000 0.802 416 K CB 1.946 34.285 32.500 -0.268 0.000 1.171 416 K HN 0.579 nan 8.250 nan 0.000 0.426 417 Q N 1.442 120.865 119.800 -0.628 0.000 2.331 417 Q HA 0.391 4.728 4.340 -0.005 0.000 0.272 417 Q C -1.361 174.400 176.000 -0.398 0.000 1.062 417 Q CA -0.774 54.856 55.803 -0.288 0.000 0.806 417 Q CB 2.317 30.892 28.738 -0.271 0.000 1.312 417 Q HN 0.486 nan 8.270 nan 0.000 0.431 418 W N 1.239 122.603 121.300 0.106 0.000 2.706 418 W HA 0.618 5.275 4.660 -0.005 0.000 0.346 418 W C -0.104 176.490 176.519 0.125 0.000 1.071 418 W CA -0.456 56.985 57.345 0.161 0.000 1.206 418 W CB 2.269 31.851 29.460 0.204 0.000 1.413 418 W HN 0.638 nan 8.180 nan 0.000 0.542 419 E N 0.118 120.509 120.200 0.318 0.000 2.392 419 E HA 0.587 4.934 4.350 -0.005 0.000 0.279 419 E C -1.158 175.529 176.600 0.145 0.000 0.964 419 E CA -0.550 55.988 56.400 0.230 0.000 0.777 419 E CB 2.521 32.301 29.700 0.132 0.000 1.249 419 E HN 0.565 nan 8.360 nan 0.000 0.449 420 G N 0.731 109.599 108.800 0.114 0.000 2.701 420 G HA2 0.740 4.697 3.960 -0.005 0.000 0.300 420 G HA3 0.740 4.697 3.960 -0.005 0.000 0.300 420 G C -1.636 173.257 174.900 -0.013 0.000 1.410 420 G CA -0.090 45.025 45.100 0.025 0.000 1.014 420 G HN 0.520 nan 8.290 nan 0.000 0.509 421 A N 1.150 123.814 122.820 -0.260 0.000 2.515 421 A HA 0.849 5.166 4.320 -0.005 0.000 0.298 421 A C -1.712 175.699 177.584 -0.288 0.000 1.059 421 A CA -0.656 51.308 52.037 -0.122 0.000 0.698 421 A CB 1.337 20.272 19.000 -0.109 0.000 1.289 421 A HN 0.584 nan 8.150 nan 0.000 0.404 422 F N 0.593 120.632 119.950 0.148 0.000 2.450 422 F HA 0.665 5.189 4.527 -0.005 0.000 0.332 422 F C 0.573 176.384 175.800 0.018 0.000 1.093 422 F CA -0.088 58.038 58.000 0.210 0.000 1.003 422 F CB 2.037 41.316 39.000 0.465 0.000 1.151 422 F HN 0.677 nan 8.300 nan 0.000 0.474 423 E N 0.931 121.067 120.200 -0.107 0.000 2.292 423 E HA 0.698 5.045 4.350 -0.005 0.000 0.272 423 E C -1.087 175.024 176.600 -0.814 0.000 0.881 423 E CA -0.730 55.362 56.400 -0.514 0.000 0.754 423 E CB 2.172 31.686 29.700 -0.312 0.000 1.201 423 E HN 0.837 nan 8.360 nan 0.000 0.425 424 G N 2.964 110.891 108.800 -1.454 0.000 2.718 424 G HA2 0.417 4.374 3.960 -0.005 0.000 0.295 424 G HA3 0.417 4.374 3.960 -0.005 0.000 0.295 424 G C -1.698 172.507 174.900 -1.158 0.000 1.421 424 G CA -0.644 43.565 45.100 -1.486 0.000 0.902 424 G HN 0.471 nan 8.290 nan 0.000 0.501 425 L N 1.741 122.427 121.223 -0.896 0.000 2.275 425 L HA 0.782 5.119 4.340 -0.005 0.000 0.288 425 L C 0.012 176.706 176.870 -0.293 0.000 1.046 425 L CA -0.495 54.070 54.840 -0.459 0.000 0.805 425 L CB 1.809 43.678 42.059 -0.317 0.000 1.193 425 L HN 0.733 nan 8.230 nan 0.000 0.426 426 T N 1.507 116.088 114.554 0.045 0.000 3.071 426 T HA 0.505 4.852 4.350 -0.005 0.000 0.311 426 T C 0.173 174.931 174.700 0.097 0.000 1.042 426 T CA 0.037 62.231 62.100 0.156 0.000 1.028 426 T CB 1.598 70.679 68.868 0.355 0.000 1.068 426 T HN 0.986 nan 8.240 nan 0.000 0.451 427 A N 1.986 124.845 122.820 0.065 0.000 2.409 427 A HA 0.174 4.491 4.320 -0.005 0.000 0.290 427 A C 1.863 179.463 177.584 0.026 0.000 1.440 427 A CA 1.643 53.700 52.037 0.033 0.000 0.775 427 A CB -1.942 17.068 19.000 0.017 0.000 1.069 427 A HN 2.875 nan 8.150 nan 0.000 0.389 428 G N -3.594 105.231 108.800 0.041 0.000 2.238 428 G HA2 0.017 3.974 3.960 -0.005 0.000 0.217 428 G HA3 0.017 3.974 3.960 -0.005 0.000 0.217 428 G C 0.214 175.181 174.900 0.110 0.000 0.996 428 G CA 0.170 45.310 45.100 0.067 0.000 0.632 428 G HN 1.788 nan 8.290 nan 0.000 0.503 429 V N 2.005 121.972 119.914 0.089 0.000 2.394 429 V HA 0.496 4.613 4.120 -0.005 0.000 0.282 429 V C -0.109 176.090 176.094 0.176 0.000 1.031 429 V CA -1.180 61.209 62.300 0.149 0.000 0.881 429 V CB 1.633 33.456 31.823 -0.001 0.000 0.982 429 V HN 0.287 nan 8.190 nan 0.000 0.451 430 N N 6.396 125.195 118.700 0.165 0.000 2.420 430 N HA 0.328 5.065 4.740 -0.005 0.000 0.249 430 N C -0.736 174.871 175.510 0.162 0.000 1.033 430 N CA -0.241 52.842 53.050 0.054 0.000 0.944 430 N CB 1.133 39.637 38.487 0.029 0.000 1.113 430 N HN 0.867 nan 8.380 nan 0.000 0.502 431 W N 2.150 123.448 121.300 -0.003 0.000 2.902 431 W HA 0.671 5.328 4.660 -0.005 0.000 0.346 431 W C -0.790 175.747 176.519 0.029 0.000 1.139 431 W CA -0.947 56.415 57.345 0.027 0.000 1.139 431 W CB 1.444 30.918 29.460 0.024 0.000 1.439 431 W HN 0.245 nan 8.180 nan 0.000 0.558 432 R N 1.584 122.313 120.500 0.381 0.000 2.739 432 R HA 0.762 5.099 4.340 -0.005 0.000 0.271 432 R C -2.065 174.477 176.300 0.403 0.000 1.010 432 R CA -0.689 55.585 56.100 0.290 0.000 0.897 432 R CB 2.924 33.269 30.300 0.075 0.000 1.236 432 R HN 0.747 nan 8.270 nan 0.000 0.466 433 I N 0.889 121.694 120.570 0.392 0.000 2.841 433 I HA 0.483 4.649 4.170 -0.005 0.000 0.298 433 I C -1.768 174.507 176.117 0.263 0.000 1.304 433 I CA -0.339 61.147 61.300 0.310 0.000 1.019 433 I CB 2.507 40.700 38.000 0.322 0.000 1.282 433 I HN 0.658 nan 8.210 nan 0.000 0.432 434 S N 3.022 118.839 115.700 0.194 0.000 2.548 434 S HA 0.750 5.217 4.470 -0.005 0.000 0.278 434 S C -0.967 173.705 174.600 0.120 0.000 1.150 434 S CA -0.301 57.994 58.200 0.158 0.000 0.907 434 S CB 1.774 65.060 63.200 0.144 0.000 1.108 434 S HN 0.937 nan 8.310 nan 0.000 0.459 435 G N 2.862 111.739 108.800 0.128 0.000 2.530 435 G HA2 0.711 4.668 3.960 -0.005 0.000 0.316 435 G HA3 0.711 4.668 3.960 -0.005 0.000 0.316 435 G C -1.511 173.490 174.900 0.168 0.000 1.298 435 G CA -0.612 44.523 45.100 0.058 0.000 0.948 435 G HN 0.763 nan 8.290 nan 0.000 0.486 436 Y N -0.271 120.101 120.300 0.119 0.000 2.504 436 Y HA 0.745 5.292 4.550 -0.005 0.000 0.344 436 Y C -0.324 175.671 175.900 0.157 0.000 1.023 436 Y CA -1.650 56.536 58.100 0.143 0.000 1.020 436 Y CB 1.770 40.298 38.460 0.114 0.000 1.282 436 Y HN 0.563 nan 8.280 nan 0.000 0.454 437 R N 2.930 123.701 120.500 0.453 0.000 2.265 437 R HA 0.385 4.722 4.340 -0.005 0.000 0.319 437 R C -1.344 175.252 176.300 0.493 0.000 1.006 437 R CA -0.457 55.887 56.100 0.407 0.000 0.880 437 R CB 0.666 31.111 30.300 0.241 0.000 1.077 437 R HN 0.840 nan 8.270 nan 0.000 0.454 438 N N 3.381 122.301 118.700 0.367 0.000 2.483 438 N HA 0.144 4.881 4.740 -0.005 0.000 0.267 438 N C -1.657 174.000 175.510 0.244 0.000 0.998 438 N CA -0.553 52.651 53.050 0.258 0.000 0.918 438 N CB 1.433 39.989 38.487 0.116 0.000 1.215 438 N HN 0.559 nan 8.380 nan 0.000 0.500 439 D N 2.665 123.242 120.400 0.294 0.000 2.339 439 D HA 0.187 4.824 4.640 -0.005 0.000 0.241 439 D C 0.144 176.531 176.300 0.145 0.000 1.183 439 D CA -0.074 54.063 54.000 0.228 0.000 0.859 439 D CB 1.577 42.555 40.800 0.297 0.000 1.067 439 D HN 0.166 nan 8.370 nan 0.000 0.484 440 V N 1.590 121.577 119.914 0.121 0.000 2.713 440 V HA 0.684 4.801 4.120 -0.005 0.000 0.307 440 V C 0.363 176.515 176.094 0.097 0.000 1.052 440 V CA -0.544 61.814 62.300 0.098 0.000 0.967 440 V CB 1.744 33.638 31.823 0.117 0.000 1.019 440 V HN 0.699 nan 8.190 nan 0.000 0.459 441 S N 0.360 116.109 115.700 0.081 0.000 2.595 441 S HA 0.504 4.971 4.470 -0.005 0.000 0.270 441 S C -0.953 173.676 174.600 0.048 0.000 1.145 441 S CA -0.784 57.458 58.200 0.070 0.000 0.825 441 S CB 1.614 64.859 63.200 0.076 0.000 1.107 441 S HN 0.725 nan 8.310 nan 0.000 0.461 442 D N 0.118 120.543 120.400 0.042 0.000 2.870 442 D HA -0.121 4.516 4.640 -0.005 0.000 0.228 442 D C -0.317 175.998 176.300 0.025 0.000 1.147 442 D CA 0.643 54.657 54.000 0.023 0.000 0.757 442 D CB -1.397 39.398 40.800 -0.007 0.000 1.091 442 D HN 0.617 nan 8.370 nan 0.000 0.429 443 L N 0.346 121.600 121.223 0.051 0.000 2.578 443 L HA 0.004 4.340 4.340 -0.005 0.000 0.279 443 L C 1.279 178.182 176.870 0.056 0.000 1.227 443 L CA 0.326 55.205 54.840 0.064 0.000 0.900 443 L CB 0.224 42.329 42.059 0.076 0.000 1.144 443 L HN 0.040 nan 8.230 nan 0.000 0.496 444 I N 4.134 124.726 120.570 0.037 0.000 2.436 444 I HA 0.062 4.229 4.170 -0.005 0.000 0.289 444 I C -0.314 175.877 176.117 0.122 0.000 1.083 444 I CA 0.597 61.917 61.300 0.034 0.000 1.372 444 I CB 0.210 38.160 38.000 -0.084 0.000 1.408 444 I HN 0.488 nan 8.210 nan 0.000 0.516 445 D N 6.235 126.780 120.400 0.241 0.000 2.478 445 D HA 0.071 4.708 4.640 -0.005 0.000 0.240 445 D C -0.848 175.637 176.300 0.308 0.000 1.364 445 D CA -0.498 53.668 54.000 0.277 0.000 0.987 445 D CB 1.512 42.400 40.800 0.147 0.000 1.328 445 D HN 0.275 nan 8.370 nan 0.000 0.584 446 Y N 2.910 123.326 120.300 0.193 0.000 2.610 446 Y HA 0.133 4.680 4.550 -0.005 0.000 0.332 446 Y C 0.008 175.827 175.900 -0.135 0.000 1.201 446 Y CA -0.220 57.695 58.100 -0.309 0.000 1.465 446 Y CB 0.588 38.546 38.460 -0.836 0.000 1.283 446 Y HN 0.223 nan 8.280 nan 0.000 0.563 447 D N 4.283 124.222 120.400 -0.769 0.000 2.329 447 D HA 0.091 4.728 4.640 -0.005 0.000 0.232 447 D C 0.273 176.729 176.300 0.261 0.000 1.088 447 D CA -0.599 53.255 54.000 -0.245 0.000 0.835 447 D CB 1.146 41.100 40.800 -1.411 0.000 1.078 447 D HN 0.687 nan 8.370 nan 0.000 0.495 448 D N 3.285 124.037 120.400 0.585 0.000 2.103 448 D HA -0.345 4.292 4.640 -0.005 0.000 0.190 448 D C 0.976 177.247 176.300 -0.048 0.000 0.997 448 D CA 1.992 56.020 54.000 0.047 0.000 0.833 448 D CB -0.931 39.763 40.800 -0.178 0.000 0.961 448 D HN 0.678 nan 8.370 nan 0.000 0.447 449 H N 0.172 119.203 119.070 -0.065 0.000 1.453 449 H HA -0.297 4.256 4.556 -0.005 0.000 0.090 449 H C 1.490 176.778 175.328 -0.066 0.000 1.207 449 H CA 3.042 59.046 56.048 -0.073 0.000 1.901 449 H CB -1.713 27.992 29.762 -0.095 0.000 2.257 449 H HN 0.553 nan 8.280 nan 0.000 0.961 450 T N -2.703 111.889 114.554 0.064 0.000 3.403 450 T HA 0.396 4.743 4.350 -0.005 0.000 0.308 450 T C -0.262 174.413 174.700 -0.042 0.000 0.952 450 T CA 0.155 62.279 62.100 0.040 0.000 0.970 450 T CB 0.149 69.091 68.868 0.123 0.000 1.189 450 T HN 0.378 nan 8.240 nan 0.000 0.528 451 L N -0.466 120.596 121.223 -0.268 0.000 3.843 451 L HA -0.101 4.236 4.340 -0.005 0.000 0.411 451 L C 0.094 176.966 176.870 0.004 0.000 1.205 451 L CA 0.956 55.736 54.840 -0.100 0.000 0.945 451 L CB -2.853 39.352 42.059 0.242 0.000 1.929 451 L HN 0.600 nan 8.230 nan 0.000 0.934 452 K N -1.167 119.031 120.400 -0.338 0.000 2.385 452 K HA 0.591 4.908 4.320 -0.005 0.000 0.248 452 K C -0.555 175.655 176.600 -0.650 0.000 0.955 452 K CA -0.897 55.179 56.287 -0.352 0.000 0.816 452 K CB 1.967 34.218 32.500 -0.415 0.000 1.250 452 K HN -0.122 nan 8.250 nan 0.000 0.434 453 Y N 0.742 120.804 120.300 -0.396 0.000 2.316 453 Y HA 0.254 4.801 4.550 -0.005 0.000 0.324 453 Y C -0.252 175.244 175.900 -0.674 0.000 1.267 453 Y CA 0.288 58.184 58.100 -0.340 0.000 1.311 453 Y CB 0.666 39.063 38.460 -0.105 0.000 1.267 453 Y HN 0.386 nan 8.280 nan 0.000 0.516 454 Y N -1.046 119.303 120.300 0.082 0.000 2.638 454 Y HA 0.320 4.867 4.550 -0.005 0.000 0.339 454 Y C -0.475 175.436 175.900 0.018 0.000 1.084 454 Y CA -1.790 56.321 58.100 0.018 0.000 1.068 454 Y CB 0.994 39.428 38.460 -0.044 0.000 1.294 454 Y HN 0.434 nan 8.280 nan 0.000 0.480 455 N N 2.428 121.224 118.700 0.159 0.000 2.402 455 N HA 0.056 4.793 4.740 -0.005 0.000 0.252 455 N C 0.273 175.832 175.510 0.081 0.000 1.118 455 N CA 0.127 53.225 53.050 0.079 0.000 0.945 455 N CB 0.715 39.222 38.487 0.032 0.000 1.147 455 N HN 0.979 nan 8.380 nan 0.000 0.495 456 E N 0.822 121.065 120.200 0.071 0.000 2.603 456 E HA 0.118 4.465 4.350 -0.005 0.000 0.218 456 E C 0.424 177.048 176.600 0.039 0.000 0.878 456 E CA -0.460 55.964 56.400 0.040 0.000 1.348 456 E CB 0.161 29.864 29.700 0.006 0.000 1.318 456 E HN 0.336 nan 8.360 nan 0.000 0.673 457 G N 0.913 109.745 108.800 0.053 0.000 2.441 457 G HA2 0.575 4.532 3.960 -0.005 0.000 0.334 457 G HA3 0.575 4.532 3.960 -0.005 0.000 0.334 457 G C -1.156 173.781 174.900 0.063 0.000 1.161 457 G CA -0.670 44.464 45.100 0.056 0.000 0.935 457 G HN -0.031 nan 8.290 nan 0.000 0.488 458 K N -0.239 120.199 120.400 0.063 0.000 2.371 458 K HA 0.680 4.997 4.320 -0.005 0.000 0.251 458 K C -0.637 176.008 176.600 0.074 0.000 0.934 458 K CA -0.584 55.746 56.287 0.072 0.000 0.798 458 K CB 2.590 35.130 32.500 0.068 0.000 1.204 458 K HN 0.618 nan 8.250 nan 0.000 0.427 459 A N 2.415 125.287 122.820 0.087 0.000 2.374 459 A HA 0.633 4.950 4.320 -0.005 0.000 0.317 459 A C -1.004 176.640 177.584 0.100 0.000 1.094 459 A CA -0.740 51.349 52.037 0.087 0.000 0.765 459 A CB 1.342 20.397 19.000 0.093 0.000 1.268 459 A HN 0.714 nan 8.150 nan 0.000 0.438 460 R N 1.118 121.673 120.500 0.092 0.000 2.589 460 R HA 0.752 5.089 4.340 -0.005 0.000 0.293 460 R C -1.446 174.919 176.300 0.109 0.000 0.963 460 R CA -0.508 55.658 56.100 0.109 0.000 0.905 460 R CB 1.081 31.434 30.300 0.088 0.000 1.144 460 R HN 0.717 nan 8.270 nan 0.000 0.459 461 I N 3.008 123.667 120.570 0.148 0.000 2.569 461 I HA 0.361 4.528 4.170 -0.005 0.000 0.290 461 I C -0.708 175.536 176.117 0.212 0.000 1.088 461 I CA -0.908 60.492 61.300 0.167 0.000 1.047 461 I CB 2.307 40.430 38.000 0.205 0.000 1.237 461 I HN 0.393 nan 8.210 nan 0.000 0.421 462 K N 4.312 124.803 120.400 0.151 0.000 2.535 462 K HA 0.649 4.966 4.320 -0.005 0.000 0.253 462 K C -0.434 176.180 176.600 0.023 0.000 0.953 462 K CA -0.404 55.950 56.287 0.112 0.000 0.863 462 K CB 2.705 35.276 32.500 0.120 0.000 1.111 462 K HN 0.895 nan 8.250 nan 0.000 0.431 463 G N 0.984 109.573 108.800 -0.352 0.000 2.605 463 G HA2 0.654 4.611 3.960 -0.005 0.000 0.296 463 G HA3 0.654 4.611 3.960 -0.005 0.000 0.296 463 G C -1.358 173.149 174.900 -0.655 0.000 1.304 463 G CA -0.465 44.297 45.100 -0.564 0.000 0.941 463 G HN 0.267 nan 8.290 nan 0.000 0.475 464 V N 0.205 119.965 119.914 -0.257 0.000 2.709 464 V HA 0.646 4.763 4.120 -0.005 0.000 0.308 464 V C -0.659 175.410 176.094 -0.042 0.000 1.062 464 V CA -0.705 61.515 62.300 -0.133 0.000 0.901 464 V CB 1.901 33.685 31.823 -0.066 0.000 1.003 464 V HN 0.898 nan 8.190 nan 0.000 0.425 465 E N 3.310 123.538 120.200 0.047 0.000 2.260 465 E HA 0.766 5.113 4.350 -0.005 0.000 0.266 465 E C -1.181 175.506 176.600 0.144 0.000 0.887 465 E CA -0.591 55.866 56.400 0.094 0.000 0.777 465 E CB 1.919 31.699 29.700 0.134 0.000 1.205 465 E HN 0.879 nan 8.360 nan 0.000 0.414 466 A N 3.246 126.173 122.820 0.177 0.000 2.356 466 A HA 0.764 5.081 4.320 -0.005 0.000 0.310 466 A C -0.620 177.080 177.584 0.193 0.000 1.075 466 A CA -0.515 51.646 52.037 0.207 0.000 0.746 466 A CB 1.669 20.802 19.000 0.222 0.000 1.221 466 A HN 0.616 nan 8.150 nan 0.000 0.443 467 T N -1.006 113.666 114.554 0.198 0.000 2.883 467 T HA 0.924 5.271 4.350 -0.005 0.000 0.296 467 T C -0.432 174.397 174.700 0.215 0.000 1.117 467 T CA -0.234 61.969 62.100 0.171 0.000 1.006 467 T CB 1.839 70.787 68.868 0.132 0.000 1.191 467 T HN 2.128 nan 8.240 nan 0.000 0.508 468 A N 1.660 124.598 122.820 0.197 0.000 2.574 468 A HA 0.841 5.158 4.320 -0.005 0.000 0.297 468 A C -1.476 176.259 177.584 0.251 0.000 1.062 468 A CA -1.188 51.014 52.037 0.276 0.000 0.686 468 A CB 1.345 20.545 19.000 0.334 0.000 1.285 468 A HN 1.171 nan 8.150 nan 0.000 0.403 469 N N -0.476 118.402 118.700 0.297 0.000 2.242 469 N HA 0.870 5.607 4.740 -0.005 0.000 0.292 469 N C -0.841 174.933 175.510 0.439 0.000 1.125 469 N CA -0.702 52.494 53.050 0.243 0.000 0.783 469 N CB 1.695 40.231 38.487 0.082 0.000 1.558 469 N HN 0.906 nan 8.380 nan 0.000 0.472 470 F N -2.588 117.447 119.950 0.141 0.000 2.741 470 F HA 0.578 5.102 4.527 -0.005 0.000 0.311 470 F C -1.657 174.283 175.800 0.233 0.000 1.149 470 F CA -1.205 56.885 58.000 0.150 0.000 0.930 470 F CB 1.248 40.315 39.000 0.113 0.000 1.312 470 F HN 0.178 nan 8.300 nan 0.000 0.450 471 D N 0.465 121.066 120.400 0.335 0.000 2.217 471 D HA 0.493 5.130 4.640 -0.005 0.000 0.248 471 D C 0.282 176.809 176.300 0.379 0.000 1.008 471 D CA -0.011 54.165 54.000 0.295 0.000 0.914 471 D CB 2.239 43.148 40.800 0.181 0.000 1.182 471 D HN 0.841 nan 8.370 nan 0.000 0.451 472 T N -2.273 112.487 114.554 0.343 0.000 3.330 472 T HA 0.252 4.599 4.350 -0.005 0.000 0.240 472 T C 1.262 176.059 174.700 0.162 0.000 0.988 472 T CA 0.279 62.532 62.100 0.254 0.000 1.253 472 T CB -0.410 68.630 68.868 0.287 0.000 1.163 472 T HN 0.350 nan 8.240 nan 0.000 0.382 473 G N 2.515 111.405 108.800 0.151 0.000 3.022 473 G HA2 0.400 4.357 3.960 -0.005 0.000 0.157 473 G HA3 0.400 4.357 3.960 -0.005 0.000 0.157 473 G C -1.259 173.689 174.900 0.081 0.000 1.691 473 G CA 0.068 45.215 45.100 0.079 0.000 1.079 473 G HN 0.488 nan 8.290 nan 0.000 0.549 474 P HA 0.171 nan 4.420 nan 0.000 0.253 474 P C 0.085 177.476 177.300 0.152 0.000 1.281 474 P CA 0.066 63.229 63.100 0.105 0.000 0.792 474 P CB 0.009 31.774 31.700 0.108 0.000 1.193 475 L N 0.586 121.875 121.223 0.110 0.000 2.361 475 L HA 0.185 4.522 4.340 -0.005 0.000 0.278 475 L C 0.411 177.297 176.870 0.027 0.000 1.113 475 L CA 0.541 55.427 54.840 0.076 0.000 0.849 475 L CB 0.469 42.569 42.059 0.067 0.000 1.155 475 L HN -0.106 nan 8.230 nan 0.000 0.452 476 T N 2.415 116.944 114.554 -0.043 0.000 2.824 476 T HA 0.420 4.767 4.350 -0.005 0.000 0.280 476 T C -0.364 174.104 174.700 -0.388 0.000 0.995 476 T CA -0.512 61.508 62.100 -0.134 0.000 1.009 476 T CB 0.953 69.816 68.868 -0.008 0.000 0.955 476 T HN 0.367 nan 8.240 nan 0.000 0.452 477 H N 2.014 120.921 119.070 -0.273 0.000 2.539 477 H HA 0.437 4.990 4.556 -0.005 0.000 0.332 477 H C -0.572 174.474 175.328 -0.469 0.000 1.031 477 H CA -0.574 55.174 56.048 -0.500 0.000 1.206 477 H CB 1.469 30.494 29.762 -1.230 0.000 1.446 477 H HN 0.498 nan 8.280 nan 0.000 0.496 478 T N 3.051 117.442 114.554 -0.271 0.000 2.890 478 T HA 0.288 4.635 4.350 -0.005 0.000 0.295 478 T C -0.435 174.094 174.700 -0.285 0.000 0.993 478 T CA -0.579 61.409 62.100 -0.187 0.000 0.979 478 T CB 1.640 70.485 68.868 -0.038 0.000 0.967 478 T HN 0.281 nan 8.240 nan 0.000 0.441 479 V N 3.454 123.215 119.914 -0.255 0.000 2.709 479 V HA 0.883 5.000 4.120 -0.005 0.000 0.308 479 V C -0.778 175.307 176.094 -0.016 0.000 1.062 479 V CA -0.405 61.746 62.300 -0.248 0.000 0.901 479 V CB 2.186 33.793 31.823 -0.360 0.000 1.003 479 V HN 1.090 nan 8.190 nan 0.000 0.425 480 S N 5.362 121.088 115.700 0.045 0.000 2.632 480 S HA 0.766 5.233 4.470 -0.005 0.000 0.289 480 S C -1.278 173.442 174.600 0.200 0.000 1.115 480 S CA -0.668 57.602 58.200 0.116 0.000 0.889 480 S CB 1.963 65.220 63.200 0.094 0.000 1.116 480 S HN 1.009 nan 8.310 nan 0.000 0.486 481 Y N 0.461 120.810 120.300 0.082 0.000 2.485 481 Y HA 0.677 5.224 4.550 -0.005 0.000 0.345 481 Y C -1.449 174.509 175.900 0.097 0.000 0.998 481 Y CA -0.751 57.403 58.100 0.091 0.000 1.059 481 Y CB 1.918 40.430 38.460 0.086 0.000 1.234 481 Y HN 0.785 nan 8.280 nan 0.000 0.461 482 D N 4.208 124.175 120.400 -0.723 0.000 2.896 482 D HA 0.152 4.789 4.640 -0.005 0.000 0.241 482 D C -2.028 173.809 176.300 -0.772 0.000 1.188 482 D CA -0.268 53.401 54.000 -0.552 0.000 0.879 482 D CB 2.047 42.721 40.800 -0.210 0.000 1.553 482 D HN 0.681 nan 8.370 nan 0.000 0.515 483 Y N 2.126 122.056 120.300 -0.616 0.000 2.326 483 Y HA 0.471 5.018 4.550 -0.005 0.000 0.331 483 Y C -1.594 174.193 175.900 -0.188 0.000 0.962 483 Y CA -0.610 57.301 58.100 -0.315 0.000 1.167 483 Y CB 1.152 39.555 38.460 -0.095 0.000 1.148 483 Y HN 0.068 nan 8.280 nan 0.000 0.463 484 V N 5.989 125.724 119.914 -0.298 0.000 2.326 484 V HA 0.168 4.285 4.120 -0.005 0.000 0.281 484 V C -0.830 175.008 176.094 -0.426 0.000 1.015 484 V CA -0.681 61.468 62.300 -0.252 0.000 0.823 484 V CB 1.278 33.025 31.823 -0.126 0.000 1.009 484 V HN 0.769 nan 8.190 nan 0.000 0.436 485 D N 4.834 125.017 120.400 -0.362 0.000 2.441 485 D HA 0.480 5.117 4.640 -0.005 0.000 0.221 485 D C 0.141 176.391 176.300 -0.085 0.000 1.156 485 D CA -0.099 53.750 54.000 -0.252 0.000 0.896 485 D CB 1.229 41.958 40.800 -0.119 0.000 1.028 485 D HN 0.661 nan 8.370 nan 0.000 0.509 486 A N 5.227 127.991 122.820 -0.093 0.000 2.412 486 A HA 0.564 4.881 4.320 -0.005 0.000 0.334 486 A C 0.097 177.664 177.584 -0.028 0.000 1.419 486 A CA -0.750 51.268 52.037 -0.032 0.000 0.930 486 A CB 0.314 19.294 19.000 -0.034 0.000 1.149 486 A HN 0.536 nan 8.150 nan 0.000 0.515 487 R N 1.593 122.095 120.500 0.003 0.000 2.828 487 R HA 0.389 4.725 4.340 -0.005 0.000 0.264 487 R C -0.297 176.021 176.300 0.030 0.000 1.022 487 R CA -1.132 54.973 56.100 0.008 0.000 1.021 487 R CB 0.937 31.242 30.300 0.009 0.000 1.163 487 R HN 0.639 nan 8.270 nan 0.000 0.494 488 N N 1.141 119.858 118.700 0.028 0.000 2.427 488 N HA -0.017 4.720 4.740 -0.005 0.000 0.269 488 N C 0.481 176.015 175.510 0.040 0.000 1.235 488 N CA 0.151 53.224 53.050 0.038 0.000 0.934 488 N CB 1.427 39.935 38.487 0.035 0.000 1.121 488 N HN 0.741 nan 8.380 nan 0.000 0.480 489 A N 5.276 128.126 122.820 0.049 0.000 1.972 489 A HA -0.125 4.192 4.320 -0.005 0.000 0.219 489 A C 2.002 179.612 177.584 0.043 0.000 1.169 489 A CA 0.861 52.928 52.037 0.050 0.000 0.635 489 A CB -0.144 18.893 19.000 0.061 0.000 0.810 489 A HN 0.714 nan 8.150 nan 0.000 0.446 490 I N -1.313 119.281 120.570 0.041 0.000 2.339 490 I HA -0.071 4.096 4.170 -0.005 0.000 0.245 490 I C 2.450 178.586 176.117 0.031 0.000 1.096 490 I CA 2.085 63.407 61.300 0.036 0.000 1.408 490 I CB -1.222 36.800 38.000 0.037 0.000 1.092 490 I HN 0.376 nan 8.210 nan 0.000 0.423 491 T N -1.285 113.288 114.554 0.031 0.000 3.022 491 T HA -0.014 4.333 4.350 -0.005 0.000 0.250 491 T C 0.696 175.411 174.700 0.025 0.000 1.060 491 T CA 0.462 62.578 62.100 0.027 0.000 1.013 491 T CB -0.155 68.731 68.868 0.029 0.000 0.982 491 T HN 0.282 nan 8.240 nan 0.000 0.508 492 D N 1.585 122.001 120.400 0.027 0.000 2.837 492 D HA -0.143 4.494 4.640 -0.005 0.000 0.230 492 D C -0.061 176.253 176.300 0.023 0.000 1.152 492 D CA 1.313 55.328 54.000 0.025 0.000 0.736 492 D CB -1.489 39.325 40.800 0.023 0.000 1.084 492 D HN 0.597 nan 8.370 nan 0.000 0.429 493 T N -1.823 112.746 114.554 0.024 0.000 2.902 493 T HA 0.674 5.021 4.350 -0.005 0.000 0.283 493 T C -2.615 172.096 174.700 0.019 0.000 1.009 493 T CA -1.813 60.303 62.100 0.027 0.000 1.051 493 T CB 1.953 70.840 68.868 0.032 0.000 0.999 493 T HN -0.162 nan 8.240 nan 0.000 0.474 494 P HA 0.048 nan 4.420 nan 0.000 0.263 494 P C 0.259 177.553 177.300 -0.010 0.000 1.175 494 P CA 0.082 63.169 63.100 -0.021 0.000 0.761 494 P CB 0.283 31.959 31.700 -0.040 0.000 0.794 495 L N 2.469 123.667 121.223 -0.042 0.000 2.506 495 L HA 0.246 4.583 4.340 -0.005 0.000 0.199 495 L C 0.620 177.450 176.870 -0.067 0.000 1.178 495 L CA -0.266 54.547 54.840 -0.044 0.000 0.868 495 L CB -0.218 41.804 42.059 -0.062 0.000 1.451 495 L HN 0.196 nan 8.230 nan 0.000 0.526 496 L N -0.485 120.677 121.223 -0.102 0.000 2.354 496 L HA 0.453 4.790 4.340 -0.005 0.000 0.269 496 L C 0.329 177.060 176.870 -0.232 0.000 1.005 496 L CA -0.057 54.721 54.840 -0.103 0.000 0.819 496 L CB 1.570 43.599 42.059 -0.050 0.000 1.311 496 L HN 0.403 nan 8.230 nan 0.000 0.423 497 R N 0.645 121.030 120.500 -0.192 0.000 3.854 497 R HA -0.161 4.176 4.340 -0.005 0.000 0.352 497 R C -0.441 175.591 176.300 -0.446 0.000 1.156 497 R CA 0.368 56.312 56.100 -0.260 0.000 0.917 497 R CB -0.845 29.305 30.300 -0.249 0.000 1.471 497 R HN 0.487 nan 8.270 nan 0.000 0.521 498 R N -0.144 120.133 120.500 -0.373 0.000 2.621 498 R HA 0.581 4.918 4.340 -0.005 0.000 0.292 498 R C -0.687 175.459 176.300 -0.257 0.000 0.969 498 R CA 0.040 55.917 56.100 -0.372 0.000 0.887 498 R CB 1.743 31.826 30.300 -0.360 0.000 1.180 498 R HN 0.250 nan 8.270 nan 0.000 0.450 499 A N 2.972 125.661 122.820 -0.219 0.000 2.350 499 A HA 0.161 4.478 4.320 -0.005 0.000 0.293 499 A C 0.991 178.440 177.584 -0.225 0.000 1.231 499 A CA -0.203 51.707 52.037 -0.212 0.000 0.883 499 A CB 0.215 19.096 19.000 -0.197 0.000 1.133 499 A HN 0.889 nan 8.150 nan 0.000 0.533 500 K N 1.163 121.405 120.400 -0.262 0.000 2.107 500 K HA -0.184 4.133 4.320 -0.005 0.000 0.211 500 K C 0.215 176.671 176.600 -0.239 0.000 1.049 500 K CA 1.657 57.754 56.287 -0.318 0.000 0.927 500 K CB -0.010 32.297 32.500 -0.322 0.000 0.714 500 K HN 0.842 nan 8.250 nan 0.000 0.452 501 Q N -0.005 119.716 119.800 -0.130 0.000 2.323 501 Q HA 0.274 4.610 4.340 -0.005 0.000 0.271 501 Q C -1.288 174.697 176.000 -0.024 0.000 1.048 501 Q CA -0.410 55.384 55.803 -0.015 0.000 0.792 501 Q CB 2.451 31.309 28.738 0.201 0.000 1.280 501 Q HN 0.114 nan 8.270 nan 0.000 0.441 502 Q N 0.902 120.677 119.800 -0.041 0.000 2.433 502 Q HA 0.765 5.102 4.340 -0.005 0.000 0.279 502 Q C -1.278 174.816 176.000 0.157 0.000 1.105 502 Q CA -0.891 54.919 55.803 0.012 0.000 0.815 502 Q CB 3.036 31.729 28.738 -0.076 0.000 1.403 502 Q HN 0.367 nan 8.270 nan 0.000 0.435 503 V N 1.649 121.674 119.914 0.185 0.000 2.655 503 V HA 0.402 4.519 4.120 -0.005 0.000 0.301 503 V C -1.264 174.886 176.094 0.095 0.000 1.082 503 V CA -0.886 61.557 62.300 0.239 0.000 0.899 503 V CB 1.840 33.873 31.823 0.350 0.000 1.014 503 V HN 0.642 nan 8.190 nan 0.000 0.429 504 K N 4.407 124.869 120.400 0.104 0.000 2.507 504 K HA 0.634 4.951 4.320 -0.005 0.000 0.252 504 K C -1.764 174.909 176.600 0.122 0.000 0.943 504 K CA -0.767 55.544 56.287 0.039 0.000 0.808 504 K CB 2.802 35.287 32.500 -0.025 0.000 1.142 504 K HN 0.619 nan 8.250 nan 0.000 0.426 505 Y N 1.446 121.798 120.300 0.086 0.000 2.429 505 Y HA 0.270 4.816 4.550 -0.005 0.000 0.342 505 Y C -0.550 175.387 175.900 0.061 0.000 1.004 505 Y CA -0.486 57.680 58.100 0.110 0.000 1.075 505 Y CB 2.430 40.984 38.460 0.156 0.000 1.214 505 Y HN 0.559 nan 8.280 nan 0.000 0.455 506 Q N 3.250 123.163 119.800 0.188 0.000 2.365 506 Q HA 0.625 4.962 4.340 -0.005 0.000 0.269 506 Q C -2.350 173.856 176.000 0.344 0.000 1.061 506 Q CA -0.855 55.096 55.803 0.248 0.000 0.816 506 Q CB 1.916 30.722 28.738 0.112 0.000 1.325 506 Q HN 0.670 nan 8.270 nan 0.000 0.446 507 L N 3.477 124.912 121.223 0.354 0.000 2.343 507 L HA 0.570 4.907 4.340 -0.005 0.000 0.278 507 L C -1.710 175.363 176.870 0.338 0.000 0.996 507 L CA -0.105 54.923 54.840 0.314 0.000 0.831 507 L CB 1.690 43.975 42.059 0.377 0.000 1.232 507 L HN 0.679 nan 8.230 nan 0.000 0.413 508 D N 4.565 125.116 120.400 0.251 0.000 2.248 508 D HA 0.609 5.245 4.640 -0.005 0.000 0.246 508 D C -1.260 175.272 176.300 0.387 0.000 1.027 508 D CA 0.225 54.372 54.000 0.245 0.000 0.853 508 D CB 1.898 42.786 40.800 0.145 0.000 1.243 508 D HN 0.554 nan 8.370 nan 0.000 0.462 509 W N 0.308 121.697 121.300 0.147 0.000 3.059 509 W HA 0.458 5.115 4.660 -0.005 0.000 0.329 509 W C -1.955 174.693 176.519 0.216 0.000 1.246 509 W CA -0.816 56.609 57.345 0.134 0.000 1.190 509 W CB 0.661 30.175 29.460 0.090 0.000 1.423 509 W HN -0.053 nan 8.180 nan 0.000 0.571 510 Q N 1.895 121.865 119.800 0.283 0.000 2.342 510 Q HA 0.673 5.010 4.340 -0.005 0.000 0.267 510 Q C -0.744 175.450 176.000 0.323 0.000 1.038 510 Q CA -0.732 55.195 55.803 0.208 0.000 0.832 510 Q CB 2.478 31.281 28.738 0.109 0.000 1.323 510 Q HN 0.681 nan 8.270 nan 0.000 0.448 511 L N 0.442 121.857 121.223 0.320 0.000 3.886 511 L HA 0.337 4.674 4.340 -0.005 0.000 0.194 511 L C 0.347 177.287 176.870 0.116 0.000 1.190 511 L CA 0.395 55.338 54.840 0.171 0.000 1.103 511 L CB -0.116 42.065 42.059 0.203 0.000 1.665 511 L HN 0.702 nan 8.230 nan 0.000 0.752 512 Y N -0.163 120.401 120.300 0.441 0.000 2.226 512 Y HA 0.137 4.684 4.550 -0.005 0.000 0.281 512 Y C 1.174 177.247 175.900 0.289 0.000 1.107 512 Y CA 1.121 59.449 58.100 0.379 0.000 1.109 512 Y CB 0.156 38.888 38.460 0.452 0.000 1.047 512 Y HN 0.226 nan 8.280 nan 0.000 0.494 513 D N -1.606 119.092 120.400 0.498 0.000 2.562 513 D HA 0.124 4.760 4.640 -0.005 0.000 0.246 513 D C -1.026 175.191 176.300 -0.139 0.000 1.347 513 D CA 0.059 54.052 54.000 -0.011 0.000 0.800 513 D CB 0.235 40.763 40.800 -0.453 0.000 1.111 513 D HN 0.042 nan 8.370 nan 0.000 0.508 514 F N 2.104 122.216 119.950 0.270 0.000 2.471 514 F HA 0.126 4.650 4.527 -0.005 0.000 0.365 514 F C 1.094 176.801 175.800 -0.154 0.000 1.095 514 F CA -0.512 57.510 58.000 0.036 0.000 1.174 514 F CB 0.553 39.633 39.000 0.134 0.000 1.105 514 F HN -0.279 nan 8.300 nan 0.000 0.535 515 D N 4.131 124.409 120.400 -0.204 0.000 2.348 515 D HA 0.102 4.739 4.640 -0.005 0.000 0.253 515 D C -1.155 174.825 176.300 -0.533 0.000 1.161 515 D CA -0.024 53.823 54.000 -0.256 0.000 0.876 515 D CB 0.363 41.047 40.800 -0.194 0.000 1.160 515 D HN 0.296 nan 8.370 nan 0.000 0.459 516 W N 2.200 123.198 121.300 -0.503 0.000 2.606 516 W HA 0.635 5.292 4.660 -0.005 0.000 0.332 516 W C 0.528 176.705 176.519 -0.570 0.000 1.052 516 W CA -0.830 56.091 57.345 -0.707 0.000 1.223 516 W CB 2.220 30.704 29.460 -1.627 0.000 1.383 516 W HN 0.424 nan 8.180 nan 0.000 0.524 517 G N 2.364 111.157 108.800 -0.012 0.000 2.638 517 G HA2 0.804 4.761 3.960 -0.005 0.000 0.302 517 G HA3 0.804 4.761 3.960 -0.005 0.000 0.302 517 G C -1.880 173.164 174.900 0.239 0.000 1.365 517 G CA -0.820 44.351 45.100 0.119 0.000 0.987 517 G HN 0.427 nan 8.290 nan 0.000 0.495 518 I N 1.099 121.864 120.570 0.324 0.000 2.498 518 I HA 0.464 4.631 4.170 -0.005 0.000 0.290 518 I C -0.142 176.169 176.117 0.324 0.000 1.032 518 I CA -0.721 60.800 61.300 0.369 0.000 1.073 518 I CB 2.781 41.068 38.000 0.479 0.000 1.251 518 I HN 0.499 nan 8.210 nan 0.000 0.426 519 T N 5.061 119.768 114.554 0.254 0.000 2.812 519 T HA 0.492 4.839 4.350 -0.005 0.000 0.282 519 T C -1.291 173.468 174.700 0.098 0.000 0.990 519 T CA -0.413 61.765 62.100 0.130 0.000 0.960 519 T CB 0.878 69.719 68.868 -0.045 0.000 0.948 519 T HN 0.424 nan 8.240 nan 0.000 0.438 520 Y N 3.407 123.609 120.300 -0.164 0.000 2.446 520 Y HA 0.694 5.241 4.550 -0.005 0.000 0.338 520 Y C -0.401 175.311 175.900 -0.314 0.000 1.055 520 Y CA -0.740 57.045 58.100 -0.524 0.000 1.101 520 Y CB 1.858 39.705 38.460 -1.021 0.000 1.221 520 Y HN 0.827 nan 8.280 nan 0.000 0.460 521 Q N 3.996 123.078 119.800 -1.196 0.000 2.377 521 Q HA 0.282 4.619 4.340 -0.005 0.000 0.279 521 Q C -2.330 173.064 176.000 -1.010 0.000 1.049 521 Q CA -1.100 54.151 55.803 -0.921 0.000 0.825 521 Q CB 2.649 31.110 28.738 -0.462 0.000 1.401 521 Q HN 0.777 nan 8.270 nan 0.000 0.404 522 Y N 3.265 123.143 120.300 -0.703 0.000 2.328 522 Y HA 0.476 5.023 4.550 -0.005 0.000 0.336 522 Y C -1.780 173.975 175.900 -0.242 0.000 0.960 522 Y CA -0.739 57.111 58.100 -0.416 0.000 1.134 522 Y CB 0.843 39.211 38.460 -0.155 0.000 1.166 522 Y HN 0.546 nan 8.280 nan 0.000 0.464 523 L N 7.558 128.395 121.223 -0.643 0.000 2.268 523 L HA 0.443 4.780 4.340 -0.005 0.000 0.289 523 L C 1.036 177.245 176.870 -1.101 0.000 1.064 523 L CA -0.473 53.964 54.840 -0.672 0.000 0.824 523 L CB 0.349 42.157 42.059 -0.418 0.000 1.202 523 L HN 0.953 nan 8.230 nan 0.000 0.433 524 G N 1.702 109.846 108.800 -1.094 0.000 2.684 524 G HA2 0.185 4.142 3.960 -0.005 0.000 0.255 524 G HA3 0.185 4.142 3.960 -0.005 0.000 0.255 524 G C 0.066 174.745 174.900 -0.367 0.000 1.219 524 G CA -0.264 44.345 45.100 -0.818 0.000 0.901 524 G HN 0.442 nan 8.290 nan 0.000 0.548 525 T N -1.230 113.220 114.554 -0.173 0.000 2.882 525 T HA 0.552 4.899 4.350 -0.005 0.000 0.287 525 T C 0.314 174.948 174.700 -0.111 0.000 1.014 525 T CA -0.411 61.639 62.100 -0.084 0.000 1.049 525 T CB 0.610 69.480 68.868 0.003 0.000 1.001 525 T HN 0.908 nan 8.240 nan 0.000 0.525 526 R N 1.371 121.853 120.500 -0.029 0.000 2.870 526 R HA 0.438 4.775 4.340 -0.005 0.000 0.262 526 R C -1.984 174.483 176.300 0.279 0.000 1.112 526 R CA -0.825 55.254 56.100 -0.035 0.000 0.976 526 R CB 0.743 31.001 30.300 -0.070 0.000 1.261 526 R HN 0.550 nan 8.270 nan 0.000 0.453 527 Y N -0.464 119.784 120.300 -0.087 0.000 2.442 527 Y HA 0.561 5.108 4.550 -0.005 0.000 0.344 527 Y C -0.468 175.372 175.900 -0.099 0.000 0.976 527 Y CA -0.946 57.102 58.100 -0.087 0.000 1.040 527 Y CB 2.139 40.545 38.460 -0.091 0.000 1.228 527 Y HN 0.892 nan 8.280 nan 0.000 0.451 528 D N 0.478 120.873 120.400 -0.007 0.000 3.103 528 D HA 0.408 5.045 4.640 -0.005 0.000 0.337 528 D C -1.668 174.516 176.300 -0.195 0.000 1.356 528 D CA -0.532 53.428 54.000 -0.067 0.000 0.951 528 D CB 1.360 42.157 40.800 -0.004 0.000 1.438 528 D HN 0.330 nan 8.370 nan 0.000 0.562 529 K N 0.394 120.645 120.400 -0.249 0.000 2.371 529 K HA 0.379 4.696 4.320 -0.005 0.000 0.251 529 K C -1.518 174.775 176.600 -0.512 0.000 0.934 529 K CA -0.781 55.246 56.287 -0.434 0.000 0.798 529 K CB 1.917 34.064 32.500 -0.588 0.000 1.204 529 K HN 0.368 nan 8.250 nan 0.000 0.427 530 D N 2.162 122.277 120.400 -0.475 0.000 2.460 530 D HA 0.124 4.761 4.640 -0.005 0.000 0.232 530 D C -0.267 175.961 176.300 -0.120 0.000 1.079 530 D CA -0.364 53.495 54.000 -0.235 0.000 0.864 530 D CB 0.404 41.025 40.800 -0.298 0.000 1.048 530 D HN 0.379 nan 8.370 nan 0.000 0.523 531 Y N 1.631 121.961 120.300 0.051 0.000 2.529 531 Y HA -0.027 4.520 4.550 -0.005 0.000 0.290 531 Y C 2.484 178.420 175.900 0.061 0.000 1.177 531 Y CA 0.450 58.452 58.100 -0.164 0.000 1.305 531 Y CB -0.102 38.179 38.460 -0.298 0.000 1.047 531 Y HN 0.456 nan 8.280 nan 0.000 0.522 532 S N -0.703 115.123 115.700 0.211 0.000 2.493 532 S HA -0.099 4.368 4.470 -0.005 0.000 0.243 532 S C 0.751 175.435 174.600 0.139 0.000 0.991 532 S CA 0.790 59.019 58.200 0.048 0.000 0.957 532 S CB -0.271 63.032 63.200 0.172 0.000 0.756 532 S HN 0.277 nan 8.310 nan 0.000 0.521 533 S N -0.866 115.019 115.700 0.308 0.000 2.551 533 S HA 0.277 4.744 4.470 -0.005 0.000 0.325 533 S C -1.150 173.674 174.600 0.372 0.000 0.963 533 S CA -0.906 57.478 58.200 0.306 0.000 0.876 533 S CB -0.380 62.924 63.200 0.174 0.000 1.132 533 S HN 0.417 nan 8.310 nan 0.000 0.458 534 Y N 5.200 125.563 120.300 0.105 0.000 2.326 534 Y HA 0.558 5.105 4.550 -0.005 0.000 0.333 534 Y C -1.912 173.881 175.900 -0.177 0.000 1.240 534 Y CA -0.828 57.062 58.100 -0.351 0.000 1.365 534 Y CB 0.327 38.538 38.460 -0.414 0.000 1.289 534 Y HN 0.610 nan 8.280 nan 0.000 0.548 535 P HA -0.050 nan 4.420 nan 0.000 0.267 535 P C -1.638 175.254 177.300 -0.681 0.000 1.195 535 P CA 0.591 62.870 63.100 -1.368 0.000 0.773 535 P CB 0.107 31.345 31.700 -0.769 0.000 0.837 536 Y N 0.456 120.564 120.300 -0.320 0.000 2.316 536 Y HA 0.210 4.756 4.550 -0.005 0.000 0.331 536 Y C 1.253 177.026 175.900 -0.212 0.000 1.083 536 Y CA -0.693 57.304 58.100 -0.171 0.000 1.206 536 Y CB 0.799 39.176 38.460 -0.138 0.000 1.195 536 Y HN 0.221 nan 8.280 nan 0.000 0.497 537 Q N 1.679 121.456 119.800 -0.038 0.000 2.204 537 Q HA 0.333 4.670 4.340 -0.005 0.000 0.254 537 Q C -0.222 175.662 176.000 -0.195 0.000 0.981 537 Q CA -0.756 54.974 55.803 -0.121 0.000 0.897 537 Q CB 1.933 30.600 28.738 -0.118 0.000 1.273 537 Q HN 0.768 nan 8.270 nan 0.000 0.464 538 T N -2.388 112.044 114.554 -0.204 0.000 2.909 538 T HA 0.610 4.957 4.350 -0.005 0.000 0.286 538 T C -0.120 174.382 174.700 -0.331 0.000 1.002 538 T CA -0.729 61.212 62.100 -0.266 0.000 1.074 538 T CB 1.377 70.103 68.868 -0.235 0.000 0.984 538 T HN 0.376 nan 8.240 nan 0.000 0.495 539 V N 1.331 121.012 119.914 -0.389 0.000 2.925 539 V HA 0.669 4.786 4.120 -0.005 0.000 0.311 539 V C -1.054 174.835 176.094 -0.342 0.000 1.104 539 V CA -1.126 60.945 62.300 -0.383 0.000 0.954 539 V CB 2.068 33.599 31.823 -0.488 0.000 1.022 539 V HN 1.124 nan 8.190 nan 0.000 0.427 540 K N 6.567 126.796 120.400 -0.285 0.000 2.263 540 K HA 0.508 4.825 4.320 -0.005 0.000 0.272 540 K C -0.616 176.031 176.600 0.079 0.000 1.033 540 K CA -0.539 55.678 56.287 -0.117 0.000 0.884 540 K CB 1.045 33.503 32.500 -0.070 0.000 1.107 540 K HN 0.840 nan 8.250 nan 0.000 0.460 541 M N 2.644 122.335 119.600 0.152 0.000 2.274 541 M HA 0.153 4.630 4.480 -0.005 0.000 0.344 541 M C 1.462 177.832 176.300 0.118 0.000 1.161 541 M CA -0.209 55.175 55.300 0.141 0.000 1.126 541 M CB 1.399 34.086 32.600 0.145 0.000 1.522 541 M HN 0.826 nan 8.290 nan 0.000 0.461 542 G N 1.188 110.044 108.800 0.094 0.000 2.411 542 G HA2 0.366 4.322 3.960 -0.005 0.000 0.213 542 G HA3 0.366 4.322 3.960 -0.005 0.000 0.213 542 G C 0.626 175.555 174.900 0.048 0.000 1.166 542 G CA 0.514 45.662 45.100 0.079 0.000 0.802 542 G HN 1.074 nan 8.290 nan 0.000 0.533 543 G N -1.489 107.319 108.800 0.012 0.000 2.785 543 G HA2 0.366 4.323 3.960 -0.005 0.000 0.686 543 G HA3 0.366 4.323 3.960 -0.005 0.000 0.686 543 G C -0.531 174.331 174.900 -0.063 0.000 1.155 543 G CA -0.083 44.954 45.100 -0.104 0.000 0.760 543 G HN 1.757 nan 8.290 nan 0.000 0.624 544 V N -1.900 117.891 119.914 -0.205 0.000 3.258 544 V HA 0.959 5.076 4.120 -0.005 0.000 0.299 544 V C -0.081 175.986 176.094 -0.046 0.000 1.376 544 V CA -0.224 62.040 62.300 -0.060 0.000 1.063 544 V CB 1.726 33.471 31.823 -0.131 0.000 1.103 544 V HN 1.860 nan 8.190 nan 0.000 0.451 545 S N 2.416 118.122 115.700 0.011 0.000 2.498 545 S HA 0.810 5.277 4.470 -0.005 0.000 0.317 545 S C -0.521 174.046 174.600 -0.055 0.000 1.090 545 S CA -0.554 57.630 58.200 -0.027 0.000 1.089 545 S CB 0.877 64.184 63.200 0.178 0.000 0.997 545 S HN 0.704 nan 8.310 nan 0.000 0.470 546 L N 2.268 123.352 121.223 -0.232 0.000 2.334 546 L HA 0.694 5.031 4.340 -0.005 0.000 0.270 546 L C -1.144 175.756 176.870 0.050 0.000 1.018 546 L CA -0.730 54.081 54.840 -0.050 0.000 0.811 546 L CB 1.447 43.420 42.059 -0.142 0.000 1.271 546 L HN 0.656 nan 8.230 nan 0.000 0.443 547 W N 0.137 121.541 121.300 0.173 0.000 3.274 547 W HA 0.412 5.069 4.660 -0.005 0.000 0.327 547 W C -1.244 175.359 176.519 0.140 0.000 1.172 547 W CA -0.462 57.028 57.345 0.242 0.000 1.217 547 W CB 2.003 31.735 29.460 0.454 0.000 1.376 547 W HN 0.309 nan 8.180 nan 0.000 0.507 548 D N 2.293 122.900 120.400 0.345 0.000 2.547 548 D HA 0.582 5.219 4.640 -0.005 0.000 0.231 548 D C -1.743 174.690 176.300 0.222 0.000 1.099 548 D CA -0.797 53.324 54.000 0.202 0.000 0.901 548 D CB 2.662 43.528 40.800 0.109 0.000 1.478 548 D HN 0.229 nan 8.370 nan 0.000 0.471 549 L N 0.636 121.963 121.223 0.173 0.000 2.381 549 L HA 0.736 5.073 4.340 -0.005 0.000 0.274 549 L C -1.505 175.480 176.870 0.193 0.000 0.988 549 L CA -0.427 54.544 54.840 0.219 0.000 0.824 549 L CB 1.453 43.642 42.059 0.216 0.000 1.263 549 L HN 0.611 nan 8.230 nan 0.000 0.410 550 A N 4.614 127.552 122.820 0.197 0.000 2.414 550 A HA 0.871 5.188 4.320 -0.005 0.000 0.306 550 A C -1.232 176.353 177.584 0.002 0.000 1.054 550 A CA -0.218 51.887 52.037 0.113 0.000 0.724 550 A CB 1.830 20.895 19.000 0.109 0.000 1.267 550 A HN 1.183 nan 8.150 nan 0.000 0.418 551 V N -1.484 118.351 119.914 -0.133 0.000 2.914 551 V HA 1.027 5.144 4.120 -0.005 0.000 0.314 551 V C -0.074 175.894 176.094 -0.211 0.000 1.084 551 V CA -0.326 61.729 62.300 -0.408 0.000 0.963 551 V CB 1.216 32.644 31.823 -0.658 0.000 1.025 551 V HN 2.112 nan 8.190 nan 0.000 0.432 552 A N 2.121 124.798 122.820 -0.238 0.000 2.515 552 A HA 0.924 5.241 4.320 -0.005 0.000 0.296 552 A C -1.877 175.621 177.584 -0.144 0.000 1.094 552 A CA -0.707 51.250 52.037 -0.133 0.000 0.718 552 A CB 2.025 20.953 19.000 -0.119 0.000 1.307 552 A HN 1.529 nan 8.150 nan 0.000 0.408 553 Y N 1.225 121.365 120.300 -0.266 0.000 2.433 553 Y HA 0.571 5.118 4.550 -0.005 0.000 0.337 553 Y C -2.556 173.194 175.900 -0.249 0.000 1.026 553 Y CA -2.060 55.811 58.100 -0.382 0.000 1.037 553 Y CB 3.093 41.249 38.460 -0.507 0.000 1.245 553 Y HN 0.453 nan 8.280 nan 0.000 0.443 554 P HA 0.091 nan 4.420 nan 0.000 0.238 554 P C 0.563 177.686 177.300 -0.295 0.000 1.794 554 P CA 0.329 63.188 63.100 -0.401 0.000 1.088 554 P CB 0.869 32.305 31.700 -0.440 0.000 1.923 555 V N 2.259 122.180 119.914 0.013 0.000 2.568 555 V HA -0.196 3.920 4.120 -0.005 0.000 0.253 555 V C 2.004 178.104 176.094 0.011 0.000 1.072 555 V CA 2.886 65.277 62.300 0.153 0.000 1.084 555 V CB -0.505 31.390 31.823 0.120 0.000 0.676 555 V HN 0.561 nan 8.190 nan 0.000 0.469 556 T N -5.244 109.266 114.554 -0.073 0.000 2.233 556 T HA 0.221 4.568 4.350 -0.005 0.000 0.172 556 T C 1.224 175.808 174.700 -0.193 0.000 0.740 556 T CA 0.873 62.898 62.100 -0.125 0.000 1.172 556 T CB 0.975 69.756 68.868 -0.144 0.000 2.941 556 T HN 0.294 nan 8.240 nan 0.000 0.398 557 S N -1.028 114.523 115.700 -0.249 0.000 2.462 557 S HA 0.185 4.652 4.470 -0.005 0.000 0.269 557 S C 1.174 175.584 174.600 -0.317 0.000 1.005 557 S CA 0.346 58.360 58.200 -0.310 0.000 1.260 557 S CB -0.572 62.377 63.200 -0.419 0.000 0.990 557 S HN 0.723 nan 8.310 nan 0.000 0.477 558 H N 0.257 119.159 119.070 -0.281 0.000 2.595 558 H HA 0.510 5.063 4.556 -0.005 0.000 0.265 558 H C 0.147 175.185 175.328 -0.483 0.000 0.953 558 H CA 0.095 55.849 56.048 -0.490 0.000 1.197 558 H CB 0.855 30.088 29.762 -0.882 0.000 1.438 558 H HN 0.182 nan 8.280 nan 0.000 0.531 559 L N 1.958 123.066 121.223 -0.191 0.000 2.319 559 L HA 0.316 4.653 4.340 -0.005 0.000 0.281 559 L C -0.658 176.164 176.870 -0.080 0.000 1.005 559 L CA -0.325 54.447 54.840 -0.113 0.000 0.828 559 L CB 1.626 43.660 42.059 -0.042 0.000 1.227 559 L HN 0.058 nan 8.230 nan 0.000 0.415 560 T N 2.999 117.520 114.554 -0.055 0.000 2.943 560 T HA 0.587 4.934 4.350 -0.005 0.000 0.284 560 T C -0.658 174.041 174.700 -0.003 0.000 1.015 560 T CA -0.342 61.728 62.100 -0.050 0.000 1.042 560 T CB 1.984 70.814 68.868 -0.063 0.000 1.055 560 T HN 0.273 nan 8.240 nan 0.000 0.500 561 V N 3.583 123.503 119.914 0.011 0.000 2.567 561 V HA 0.489 4.606 4.120 -0.005 0.000 0.298 561 V C -0.235 175.879 176.094 0.032 0.000 1.047 561 V CA -0.885 61.435 62.300 0.034 0.000 0.880 561 V CB 1.584 33.434 31.823 0.044 0.000 1.009 561 V HN 0.772 nan 8.190 nan 0.000 0.429 562 R N 2.490 123.013 120.500 0.039 0.000 2.960 562 R HA 0.967 5.304 4.340 -0.005 0.000 0.249 562 R C -0.197 176.141 176.300 0.064 0.000 1.192 562 R CA -1.071 55.049 56.100 0.033 0.000 1.035 562 R CB 2.180 32.494 30.300 0.025 0.000 1.234 562 R HN 0.833 nan 8.270 nan 0.000 0.493 563 G N 0.390 109.226 108.800 0.061 0.000 2.733 563 G HA2 0.446 4.403 3.960 -0.005 0.000 0.297 563 G HA3 0.446 4.403 3.960 -0.005 0.000 0.297 563 G C -1.902 173.059 174.900 0.102 0.000 1.452 563 G CA -0.716 44.444 45.100 0.099 0.000 0.940 563 G HN 0.507 nan 8.290 nan 0.000 0.547 564 K N 1.159 121.644 120.400 0.142 0.000 2.550 564 K HA 0.668 4.985 4.320 -0.005 0.000 0.252 564 K C -1.672 175.005 176.600 0.128 0.000 0.943 564 K CA -0.811 55.550 56.287 0.124 0.000 0.806 564 K CB 1.830 34.390 32.500 0.100 0.000 1.289 564 K HN 0.369 nan 8.250 nan 0.000 0.435 565 I N 3.775 124.404 120.570 0.098 0.000 2.328 565 I HA 0.493 4.660 4.170 -0.005 0.000 0.287 565 I C -0.424 175.672 176.117 -0.034 0.000 1.012 565 I CA -0.630 60.666 61.300 -0.006 0.000 1.195 565 I CB 1.700 39.712 38.000 0.019 0.000 1.350 565 I HN 0.848 nan 8.210 nan 0.000 0.464 566 A N 4.885 127.648 122.820 -0.096 0.000 2.320 566 A HA 0.457 4.774 4.320 -0.005 0.000 0.334 566 A C 0.266 177.815 177.584 -0.058 0.000 1.147 566 A CA -0.674 51.339 52.037 -0.040 0.000 0.820 566 A CB 0.641 19.620 19.000 -0.035 0.000 1.218 566 A HN 0.899 nan 8.150 nan 0.000 0.482 567 N N -0.012 118.701 118.700 0.022 0.000 2.586 567 N HA -0.174 4.563 4.740 -0.005 0.000 0.282 567 N C 0.348 175.877 175.510 0.031 0.000 1.171 567 N CA 0.402 53.492 53.050 0.066 0.000 0.733 567 N CB -0.483 38.041 38.487 0.062 0.000 0.910 567 N HN 0.790 nan 8.380 nan 0.000 0.548 568 L N 3.169 124.434 121.223 0.070 0.000 2.072 568 L HA 0.201 4.538 4.340 -0.005 0.000 0.205 568 L C 0.628 177.265 176.870 -0.389 0.000 1.079 568 L CA 1.584 56.332 54.840 -0.153 0.000 0.752 568 L CB -0.180 41.772 42.059 -0.180 0.000 0.906 568 L HN 0.411 nan 8.230 nan 0.000 0.436 569 F N -0.293 119.693 119.950 0.061 0.000 2.173 569 F HA 0.255 4.779 4.527 -0.005 0.000 0.219 569 F C 0.657 176.481 175.800 0.039 0.000 0.794 569 F CA -0.177 57.848 58.000 0.042 0.000 1.131 569 F CB -0.430 38.606 39.000 0.059 0.000 2.087 569 F HN -0.161 nan 8.300 nan 0.000 0.628 570 D N 0.052 120.597 120.400 0.242 0.000 2.552 570 D HA 0.137 4.774 4.640 -0.005 0.000 0.285 570 D C -1.276 175.102 176.300 0.130 0.000 1.206 570 D CA -0.485 53.592 54.000 0.128 0.000 0.826 570 D CB -0.026 40.810 40.800 0.060 0.000 1.179 570 D HN 0.203 nan 8.370 nan 0.000 0.508 571 K N 1.504 122.005 120.400 0.168 0.000 2.262 571 K HA 0.229 4.546 4.320 -0.005 0.000 0.282 571 K C -0.394 176.352 176.600 0.243 0.000 1.066 571 K CA -0.582 55.805 56.287 0.167 0.000 0.901 571 K CB 0.729 33.307 32.500 0.131 0.000 1.089 571 K HN 0.090 nan 8.250 nan 0.000 0.476 572 D N 3.504 124.014 120.400 0.182 0.000 2.304 572 D HA 0.251 4.888 4.640 -0.005 0.000 0.247 572 D C -0.816 175.660 176.300 0.294 0.000 1.089 572 D CA 0.234 54.334 54.000 0.167 0.000 0.910 572 D CB 0.543 41.375 40.800 0.054 0.000 1.199 572 D HN 0.592 nan 8.370 nan 0.000 0.426 573 Y N -1.251 119.033 120.300 -0.027 0.000 2.970 573 Y HA 0.323 4.870 4.550 -0.005 0.000 0.396 573 Y C -1.881 174.012 175.900 -0.011 0.000 1.171 573 Y CA -1.071 57.018 58.100 -0.018 0.000 1.197 573 Y CB 0.556 39.008 38.460 -0.013 0.000 1.550 573 Y HN 0.263 nan 8.280 nan 0.000 0.470 574 E N -0.218 119.998 120.200 0.027 0.000 2.367 574 E HA 0.431 4.777 4.350 -0.005 0.000 0.273 574 E C -0.687 175.978 176.600 0.109 0.000 0.903 574 E CA -0.673 55.691 56.400 -0.060 0.000 0.764 574 E CB 2.495 32.194 29.700 -0.003 0.000 1.252 574 E HN 0.783 nan 8.360 nan 0.000 0.446 575 T N -2.449 112.147 114.554 0.071 0.000 3.023 575 T HA 0.217 4.564 4.350 -0.005 0.000 0.253 575 T C 0.089 174.831 174.700 0.071 0.000 1.038 575 T CA -0.015 62.143 62.100 0.097 0.000 0.962 575 T CB 0.149 69.076 68.868 0.098 0.000 1.018 575 T HN 0.168 nan 8.240 nan 0.000 0.521 576 V N 2.028 121.988 119.914 0.076 0.000 2.509 576 V HA 0.330 4.447 4.120 -0.005 0.000 0.289 576 V C -0.913 175.324 176.094 0.239 0.000 1.026 576 V CA -1.679 60.677 62.300 0.093 0.000 0.872 576 V CB 0.728 32.495 31.823 -0.092 0.000 1.017 576 V HN 0.457 nan 8.190 nan 0.000 0.436 577 Y N 4.463 124.839 120.300 0.125 0.000 2.910 577 Y HA 0.210 4.757 4.550 -0.005 0.000 0.358 577 Y C 1.451 177.515 175.900 0.273 0.000 1.293 577 Y CA 2.347 60.531 58.100 0.140 0.000 1.630 577 Y CB 0.164 38.675 38.460 0.085 0.000 1.178 577 Y HN 1.071 nan 8.280 nan 0.000 0.550 578 G N 3.406 112.110 108.800 -0.160 0.000 2.234 578 G HA2 -0.308 3.649 3.960 -0.005 0.000 0.235 578 G HA3 -0.308 3.649 3.960 -0.005 0.000 0.235 578 G C -0.558 174.261 174.900 -0.136 0.000 0.997 578 G CA 0.005 45.079 45.100 -0.043 0.000 0.623 578 G HN 0.584 nan 8.290 nan 0.000 0.514 579 Y N 1.479 121.765 120.300 -0.022 0.000 2.328 579 Y HA 0.658 5.205 4.550 -0.005 0.000 0.337 579 Y C 0.644 176.522 175.900 -0.037 0.000 1.008 579 Y CA -1.178 56.916 58.100 -0.010 0.000 1.129 579 Y CB 1.189 39.651 38.460 0.002 0.000 1.185 579 Y HN 0.289 nan 8.280 nan 0.000 0.476 580 Q N 2.067 121.895 119.800 0.046 0.000 2.288 580 Q HA 0.286 4.623 4.340 -0.005 0.000 0.254 580 Q C 0.319 176.382 176.000 0.106 0.000 0.932 580 Q CA -0.442 55.377 55.803 0.028 0.000 0.902 580 Q CB 0.923 29.690 28.738 0.047 0.000 1.203 580 Q HN 0.880 nan 8.270 nan 0.000 0.415 581 T N 0.209 114.664 114.554 -0.164 0.000 2.793 581 T HA 0.489 4.836 4.350 -0.005 0.000 0.299 581 T C 0.985 175.539 174.700 -0.243 0.000 1.038 581 T CA -0.103 61.857 62.100 -0.233 0.000 0.948 581 T CB 0.631 68.989 68.868 -0.850 0.000 1.231 581 T HN 0.678 nan 8.240 nan 0.000 0.538 582 A N 0.466 123.185 122.820 -0.167 0.000 1.823 582 A HA 0.560 4.876 4.320 -0.005 0.000 0.214 582 A C 1.619 178.970 177.584 -0.390 0.000 1.225 582 A CA 1.114 52.994 52.037 -0.262 0.000 0.604 582 A CB -1.648 17.340 19.000 -0.020 0.000 0.878 582 A HN 2.345 nan 8.150 nan 0.000 0.450 583 G N -1.721 106.984 108.800 -0.157 0.000 2.712 583 G HA2 -0.089 3.868 3.960 -0.005 0.000 0.683 583 G HA3 -0.089 3.868 3.960 -0.005 0.000 0.683 583 G C -0.124 174.702 174.900 -0.123 0.000 1.320 583 G CA -0.079 44.945 45.100 -0.127 0.000 0.847 583 G HN 0.816 nan 8.290 nan 0.000 0.553 584 R N 0.881 121.308 120.500 -0.120 0.000 2.421 584 R HA 0.383 4.720 4.340 -0.005 0.000 0.305 584 R C 0.015 176.153 176.300 -0.270 0.000 1.039 584 R CA 0.577 56.566 56.100 -0.185 0.000 1.003 584 R CB -0.025 30.161 30.300 -0.190 0.000 0.959 584 R HN 0.564 nan 8.270 nan 0.000 0.427 585 E N 3.415 123.423 120.200 -0.320 0.000 2.288 585 E HA 0.232 4.579 4.350 -0.005 0.000 0.268 585 E C -1.381 174.927 176.600 -0.486 0.000 0.885 585 E CA -0.802 55.405 56.400 -0.323 0.000 0.767 585 E CB 1.742 31.355 29.700 -0.145 0.000 1.220 585 E HN 0.449 nan 8.360 nan 0.000 0.427 586 Y N 0.286 120.602 120.300 0.026 0.000 2.419 586 Y HA 0.553 5.100 4.550 -0.005 0.000 0.328 586 Y C 0.293 176.243 175.900 0.084 0.000 1.162 586 Y CA -0.447 57.691 58.100 0.064 0.000 1.174 586 Y CB 2.107 40.626 38.460 0.097 0.000 1.228 586 Y HN 0.332 nan 8.280 nan 0.000 0.473 587 T N 3.954 118.687 114.554 0.297 0.000 2.932 587 T HA 0.469 4.816 4.350 -0.005 0.000 0.318 587 T C -1.913 172.959 174.700 0.286 0.000 1.265 587 T CA -0.734 61.537 62.100 0.285 0.000 1.036 587 T CB 1.712 70.680 68.868 0.167 0.000 1.209 587 T HN 0.444 nan 8.240 nan 0.000 0.484 588 L N 2.950 124.366 121.223 0.322 0.000 2.516 588 L HA 0.793 5.130 4.340 -0.005 0.000 0.267 588 L C -1.140 175.860 176.870 0.216 0.000 0.957 588 L CA -0.189 54.794 54.840 0.238 0.000 0.860 588 L CB 1.446 43.654 42.059 0.249 0.000 1.265 588 L HN 0.911 nan 8.230 nan 0.000 0.403 589 S N 3.348 119.139 115.700 0.151 0.000 2.550 589 S HA 0.963 5.430 4.470 -0.005 0.000 0.270 589 S C -0.937 173.721 174.600 0.098 0.000 1.145 589 S CA 0.116 58.404 58.200 0.147 0.000 0.852 589 S CB 2.206 65.505 63.200 0.166 0.000 1.119 589 S HN 1.044 nan 8.310 nan 0.000 0.465 590 G N 0.897 109.755 108.800 0.096 0.000 2.706 590 G HA2 0.657 4.614 3.960 -0.005 0.000 0.297 590 G HA3 0.657 4.614 3.960 -0.005 0.000 0.297 590 G C -1.514 173.438 174.900 0.086 0.000 1.403 590 G CA -0.523 44.623 45.100 0.077 0.000 0.954 590 G HN 0.814 nan 8.290 nan 0.000 0.500 591 S N -0.442 115.305 115.700 0.078 0.000 2.547 591 S HA 0.640 5.107 4.470 -0.005 0.000 0.281 591 S C -1.788 172.882 174.600 0.116 0.000 1.118 591 S CA -0.469 57.789 58.200 0.096 0.000 0.947 591 S CB 1.660 64.897 63.200 0.061 0.000 1.053 591 S HN 0.620 nan 8.310 nan 0.000 0.482 592 Y N 1.418 121.738 120.300 0.032 0.000 2.446 592 Y HA 0.670 5.217 4.550 -0.005 0.000 0.345 592 Y C -0.238 175.709 175.900 0.080 0.000 0.984 592 Y CA -0.177 57.930 58.100 0.011 0.000 1.058 592 Y CB 1.753 40.165 38.460 -0.080 0.000 1.220 592 Y HN 0.581 nan 8.280 nan 0.000 0.455 593 T N 6.472 120.960 114.554 -0.110 0.000 2.924 593 T HA 0.778 5.125 4.350 -0.005 0.000 0.291 593 T C -1.655 173.247 174.700 0.337 0.000 1.045 593 T CA -0.210 62.013 62.100 0.205 0.000 1.015 593 T CB 1.581 70.482 68.868 0.055 0.000 1.103 593 T HN 0.655 nan 8.240 nan 0.000 0.496 594 F N 0.000 119.947 119.950 -0.005 0.000 2.286 594 F HA 0.000 4.524 4.527 -0.005 0.000 0.279 594 F CA 0.000 57.968 58.000 -0.053 0.000 1.383 594 F CB 0.000 39.006 39.000 0.010 0.000 1.145 594 F HN 0.000 nan 8.300 nan 0.000 0.574