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 2z8j_1_C DATA FIRST_RESID 38 DATA SEQUENCE EDVFHPVRAK QGMVASVDAT ATQVGVDILK EGGNAVDAAV AVGYALAVTH DATA SEQUENCE PQAGNLGGGG FMLIRSKNGN TTAIDFREMA PAKATRDMFL DDQGNPDSKK DATA SEQUENCE SLTSHLASGT PGTVAGFSLA LDKYGTMPLN KVVQPAFKLA RDGFIVNDAL DATA SEQUENCE ADDLKTYGSE VLPNHENSKA IFWKEGEPLK KGDTLVQANL AKSLEMIAEN DATA SEQUENCE GPDEFYKGTI AEQIAQEMQK NGGLITKEDL AAYKAVERTP ISGDYRGYQV DATA SEQUENCE YSMPPPSSGG IHIVQILNIL ENFDMKKYGF GSADAMQIMA EAEKYAYADR DATA SEQUENCE SEYLGDPDFV KVPWQALTNK AYAKSIADQI DINKAKPSSE IRPGKLAPYE 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 38 E HA 0.000 nan 4.350 nan 0.000 0.291 38 E C 0.000 176.662 176.600 0.104 0.000 1.382 38 E CA 0.000 56.423 56.400 0.039 0.000 0.976 38 E CB 0.000 29.722 29.700 0.037 0.000 0.812 39 D N 2.878 123.296 120.400 0.030 0.000 2.872 39 D HA -0.119 4.521 4.640 -0.000 0.000 0.248 39 D C 1.073 177.070 176.300 -0.506 0.000 1.104 39 D CA 1.033 54.966 54.000 -0.111 0.000 0.784 39 D CB -1.146 39.640 40.800 -0.024 0.000 1.036 39 D HN 0.291 nan 8.370 nan 0.000 0.426 40 V N -1.019 118.697 119.914 -0.331 0.000 2.277 40 V HA -0.273 3.846 4.120 -0.000 0.000 0.255 40 V C 1.360 177.010 176.094 -0.742 0.000 1.074 40 V CA 1.827 63.852 62.300 -0.459 0.000 1.058 40 V CB -0.354 31.222 31.823 -0.412 0.000 0.656 40 V HN 0.387 nan 8.190 nan 0.000 0.449 41 F N -1.041 118.665 119.950 -0.406 0.000 2.436 41 F HA 0.610 5.137 4.527 -0.000 0.000 0.340 41 F C 0.109 175.645 175.800 -0.440 0.000 1.113 41 F CA -0.676 57.130 58.000 -0.322 0.000 1.022 41 F CB 1.031 39.932 39.000 -0.165 0.000 1.128 41 F HN 0.068 nan 8.300 nan 0.000 0.466 42 H N 1.988 121.148 119.070 0.150 0.000 2.538 42 H HA 0.487 5.043 4.556 -0.000 0.000 0.353 42 H C -2.070 173.300 175.328 0.070 0.000 1.109 42 H CA -1.652 54.444 56.048 0.079 0.000 1.192 42 H CB 1.137 30.922 29.762 0.038 0.000 1.555 42 H HN 0.427 nan 8.280 nan 0.000 0.518 43 P HA 0.197 nan 4.420 nan 0.000 0.278 43 P C -0.444 176.904 177.300 0.081 0.000 1.258 43 P CA -0.649 62.510 63.100 0.097 0.000 0.811 43 P CB 1.273 33.011 31.700 0.064 0.000 1.063 44 V N 1.857 121.803 119.914 0.053 0.000 2.715 44 V HA 0.149 4.269 4.120 -0.000 0.000 0.299 44 V C 1.056 177.168 176.094 0.029 0.000 1.054 44 V CA 0.050 62.373 62.300 0.037 0.000 1.077 44 V CB -0.008 31.830 31.823 0.025 0.000 0.972 44 V HN 0.511 nan 8.190 nan 0.000 0.484 45 R N 2.174 122.686 120.500 0.021 0.000 2.711 45 R HA 0.841 5.180 4.340 -0.000 0.000 0.284 45 R C -0.749 175.557 176.300 0.011 0.000 0.968 45 R CA -0.384 55.726 56.100 0.017 0.000 0.924 45 R CB 2.054 32.362 30.300 0.013 0.000 1.162 45 R HN 0.866 nan 8.270 nan 0.000 0.465 46 A N 1.575 124.401 122.820 0.010 0.000 2.589 46 A HA 0.339 4.659 4.320 -0.000 0.000 0.296 46 A C -0.542 177.046 177.584 0.007 0.000 1.062 46 A CA -0.769 51.272 52.037 0.007 0.000 0.686 46 A CB 1.708 20.711 19.000 0.006 0.000 1.282 46 A HN 0.794 nan 8.150 nan 0.000 0.404 47 K N 0.028 120.431 120.400 0.005 0.000 2.308 47 K HA 0.073 4.393 4.320 -0.000 0.000 0.197 47 K C 1.436 178.039 176.600 0.005 0.000 1.049 47 K CA 1.012 57.303 56.287 0.006 0.000 0.991 47 K CB 0.391 32.894 32.500 0.004 0.000 0.836 47 K HN 0.743 nan 8.250 nan 0.000 0.500 48 Q N -0.529 119.273 119.800 0.004 0.000 2.627 48 Q HA 0.163 4.503 4.340 -0.000 0.000 0.201 48 Q C 0.642 176.644 176.000 0.002 0.000 0.912 48 Q CA 0.207 56.011 55.803 0.003 0.000 0.877 48 Q CB 0.815 29.554 28.738 0.002 0.000 1.125 48 Q HN 0.163 nan 8.270 nan 0.000 0.637 49 G N 0.401 109.201 108.800 0.001 0.000 2.569 49 G HA2 0.696 4.656 3.960 -0.000 0.000 0.300 49 G HA3 0.696 4.656 3.960 -0.000 0.000 0.300 49 G C -1.517 173.383 174.900 0.000 0.000 1.269 49 G CA -0.424 44.676 45.100 0.000 0.000 0.959 49 G HN 0.082 nan 8.290 nan 0.000 0.478 50 M N 0.971 120.571 119.600 -0.001 0.000 2.414 50 M HA 0.595 5.075 4.480 -0.000 0.000 0.287 50 M C -1.974 174.324 176.300 -0.004 0.000 1.181 50 M CA -0.609 54.690 55.300 -0.001 0.000 0.933 50 M CB 2.337 34.939 32.600 0.003 0.000 1.732 50 M HN 0.385 nan 8.290 nan 0.000 0.486 51 V N 2.823 122.733 119.914 -0.006 0.000 2.709 51 V HA 0.938 5.058 4.120 -0.000 0.000 0.308 51 V C -0.757 175.331 176.094 -0.011 0.000 1.062 51 V CA -0.649 61.645 62.300 -0.010 0.000 0.901 51 V CB 1.817 33.631 31.823 -0.015 0.000 1.003 51 V HN 0.914 nan 8.190 nan 0.000 0.425 52 A N 3.229 126.042 122.820 -0.011 0.000 2.332 52 A HA 0.920 5.240 4.320 -0.000 0.000 0.300 52 A C -0.223 177.347 177.584 -0.023 0.000 1.153 52 A CA -0.130 51.898 52.037 -0.015 0.000 0.764 52 A CB 1.484 20.478 19.000 -0.010 0.000 1.174 52 A HN 1.212 nan 8.150 nan 0.000 0.467 53 S N 0.994 116.672 115.700 -0.036 0.000 2.651 53 S HA 0.464 4.934 4.470 -0.000 0.000 0.279 53 S C 0.200 174.749 174.600 -0.084 0.000 1.148 53 S CA 0.084 58.250 58.200 -0.057 0.000 0.837 53 S CB 1.266 64.429 63.200 -0.062 0.000 1.138 53 S HN 1.361 nan 8.310 nan 0.000 0.478 54 V N 0.700 120.531 119.914 -0.139 0.000 3.380 54 V HA 0.197 4.317 4.120 -0.000 0.000 0.268 54 V C -0.023 175.950 176.094 -0.202 0.000 1.168 54 V CA 1.803 63.991 62.300 -0.186 0.000 1.156 54 V CB -1.059 30.584 31.823 -0.300 0.000 0.785 54 V HN 0.894 nan 8.190 nan 0.000 0.487 55 D N -1.774 118.523 120.400 -0.172 0.000 2.757 55 D HA 0.572 5.211 4.640 -0.000 0.000 0.249 55 D C 0.829 177.084 176.300 -0.076 0.000 1.168 55 D CA 0.328 54.254 54.000 -0.122 0.000 0.870 55 D CB 2.008 42.721 40.800 -0.145 0.000 1.411 55 D HN 0.039 nan 8.370 nan 0.000 0.525 56 A N 2.584 125.377 122.820 -0.046 0.000 1.892 56 A HA -0.183 4.136 4.320 -0.000 0.000 0.218 56 A C 1.961 179.521 177.584 -0.040 0.000 1.188 56 A CA 2.207 54.225 52.037 -0.032 0.000 0.631 56 A CB -0.999 17.994 19.000 -0.011 0.000 0.822 56 A HN 0.671 nan 8.150 nan 0.000 0.447 57 T N 0.397 114.918 114.554 -0.055 0.000 2.684 57 T HA -0.088 4.262 4.350 -0.000 0.000 0.267 57 T C 2.203 176.860 174.700 -0.072 0.000 1.036 57 T CA 1.874 63.932 62.100 -0.070 0.000 1.148 57 T CB -0.554 68.239 68.868 -0.126 0.000 0.863 57 T HN 0.642 nan 8.240 nan 0.000 0.436 58 A N 1.242 124.011 122.820 -0.084 0.000 1.902 58 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 58 A C 2.582 180.137 177.584 -0.049 0.000 1.181 58 A CA 2.087 54.084 52.037 -0.066 0.000 0.623 58 A CB -1.305 17.654 19.000 -0.069 0.000 0.818 58 A HN 0.470 nan 8.150 nan 0.000 0.443 59 T N 0.266 114.792 114.554 -0.047 0.000 2.684 59 T HA -0.202 4.148 4.350 -0.000 0.000 0.267 59 T C 2.034 176.718 174.700 -0.027 0.000 1.036 59 T CA 1.886 63.965 62.100 -0.035 0.000 1.148 59 T CB -0.303 68.546 68.868 -0.032 0.000 0.863 59 T HN 0.661 nan 8.240 nan 0.000 0.436 60 Q N 0.141 119.926 119.800 -0.026 0.000 2.167 60 Q HA -0.033 4.307 4.340 -0.000 0.000 0.202 60 Q C 2.516 178.505 176.000 -0.018 0.000 0.970 60 Q CA 0.872 56.663 55.803 -0.019 0.000 0.855 60 Q CB -0.306 28.422 28.738 -0.016 0.000 0.911 60 Q HN 0.337 nan 8.270 nan 0.000 0.438 61 V N 0.582 120.482 119.914 -0.024 0.000 2.295 61 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 61 V C 2.234 178.316 176.094 -0.021 0.000 1.049 61 V CA 2.065 64.353 62.300 -0.020 0.000 1.024 61 V CB -1.101 30.709 31.823 -0.022 0.000 0.648 61 V HN 0.540 nan 8.190 nan 0.000 0.447 62 G N -0.343 108.442 108.800 -0.025 0.000 2.418 62 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.217 62 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.217 62 G C 1.679 176.567 174.900 -0.019 0.000 1.158 62 G CA 1.244 46.328 45.100 -0.026 0.000 0.771 62 G HN 0.379 nan 8.290 nan 0.000 0.545 63 V N 1.446 121.351 119.914 -0.016 0.000 2.295 63 V HA -0.166 3.954 4.120 -0.000 0.000 0.246 63 V C 2.601 178.689 176.094 -0.010 0.000 1.049 63 V CA 2.185 64.478 62.300 -0.011 0.000 1.024 63 V CB -0.459 31.359 31.823 -0.009 0.000 0.648 63 V HN 0.268 nan 8.190 nan 0.000 0.447 64 D N 0.093 120.487 120.400 -0.010 0.000 2.104 64 D HA -0.150 4.490 4.640 -0.000 0.000 0.194 64 D C 2.137 178.432 176.300 -0.009 0.000 0.994 64 D CA 1.201 55.197 54.000 -0.008 0.000 0.830 64 D CB -0.255 40.541 40.800 -0.006 0.000 0.959 64 D HN 0.252 nan 8.370 nan 0.000 0.452 65 I N 0.823 121.386 120.570 -0.012 0.000 2.208 65 I HA -0.227 3.942 4.170 -0.000 0.000 0.245 65 I C 2.524 178.634 176.117 -0.012 0.000 1.097 65 I CA 0.858 62.150 61.300 -0.014 0.000 1.363 65 I CB -0.940 37.047 38.000 -0.021 0.000 1.051 65 I HN 0.085 nan 8.210 nan 0.000 0.413 66 L N 0.253 121.469 121.223 -0.011 0.000 1.994 66 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 66 L C 2.540 179.406 176.870 -0.006 0.000 1.071 66 L CA 1.433 56.269 54.840 -0.008 0.000 0.745 66 L CB -0.651 41.404 42.059 -0.007 0.000 0.892 66 L HN 0.177 nan 8.230 nan 0.000 0.431 67 K N 0.141 120.538 120.400 -0.005 0.000 2.160 67 K HA -0.209 4.111 4.320 -0.000 0.000 0.206 67 K C 1.647 178.245 176.600 -0.003 0.000 1.047 67 K CA 1.378 57.662 56.287 -0.004 0.000 0.930 67 K CB -0.116 32.382 32.500 -0.003 0.000 0.720 67 K HN 0.392 nan 8.250 nan 0.000 0.450 68 E N -0.773 119.424 120.200 -0.005 0.000 2.502 68 E HA -0.000 4.350 4.350 -0.000 0.000 0.194 68 E C 0.749 177.346 176.600 -0.004 0.000 1.062 68 E CA 0.258 56.656 56.400 -0.004 0.000 0.867 68 E CB 0.446 30.143 29.700 -0.005 0.000 0.888 68 E HN 0.521 nan 8.360 nan 0.000 0.510 69 G N 0.774 109.572 108.800 -0.004 0.000 2.195 69 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.224 69 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.224 69 G C 0.554 175.452 174.900 -0.003 0.000 0.990 69 G CA -0.356 44.742 45.100 -0.003 0.000 0.639 69 G HN 0.468 nan 8.290 nan 0.000 0.514 70 G N 0.539 109.336 108.800 -0.005 0.000 2.544 70 G HA2 0.497 4.456 3.960 -0.000 0.000 0.242 70 G HA3 0.497 4.456 3.960 -0.000 0.000 0.242 70 G C 0.457 175.356 174.900 -0.002 0.000 1.247 70 G CA 0.580 45.677 45.100 -0.005 0.000 0.840 70 G HN 0.993 nan 8.290 nan 0.000 0.578 71 N N -0.061 118.641 118.700 0.003 0.000 2.418 71 N HA 0.421 5.160 4.740 -0.000 0.000 0.283 71 N C 1.448 176.959 175.510 0.002 0.000 1.267 71 N CA 0.031 53.084 53.050 0.006 0.000 0.975 71 N CB 0.523 39.019 38.487 0.016 0.000 1.167 71 N HN 0.434 nan 8.380 nan 0.000 0.581 72 A N -0.319 122.502 122.820 0.001 0.000 1.940 72 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 72 A C 2.127 179.709 177.584 -0.003 0.000 1.176 72 A CA 1.771 53.805 52.037 -0.004 0.000 0.631 72 A CB -1.083 17.912 19.000 -0.008 0.000 0.814 72 A HN 0.430 nan 8.150 nan 0.000 0.446 73 V N 0.496 120.417 119.914 0.013 0.000 2.358 73 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 73 V C 2.157 178.250 176.094 -0.002 0.000 1.047 73 V CA 2.179 64.495 62.300 0.026 0.000 1.035 73 V CB -0.718 31.156 31.823 0.085 0.000 0.658 73 V HN 0.523 nan 8.190 nan 0.000 0.452 74 D N 0.617 121.017 120.400 -0.001 0.000 2.104 74 D HA -0.158 4.482 4.640 -0.000 0.000 0.194 74 D C 2.223 178.497 176.300 -0.044 0.000 0.994 74 D CA 1.754 55.742 54.000 -0.020 0.000 0.830 74 D CB -0.280 40.513 40.800 -0.012 0.000 0.959 74 D HN 0.453 nan 8.370 nan 0.000 0.452 75 A N 1.196 123.995 122.820 -0.035 0.000 1.898 75 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 75 A C 2.349 179.891 177.584 -0.070 0.000 1.181 75 A CA 2.162 54.173 52.037 -0.043 0.000 0.620 75 A CB -0.685 18.298 19.000 -0.027 0.000 0.819 75 A HN 0.237 nan 8.150 nan 0.000 0.442 76 A N -0.590 122.187 122.820 -0.072 0.000 1.933 76 A HA -0.007 4.312 4.320 -0.000 0.000 0.218 76 A C 2.216 179.640 177.584 -0.267 0.000 1.175 76 A CA 1.829 53.804 52.037 -0.104 0.000 0.628 76 A CB -0.835 18.140 19.000 -0.042 0.000 0.814 76 A HN 0.381 nan 8.150 nan 0.000 0.444 77 V N -0.318 119.416 119.914 -0.301 0.000 2.358 77 V HA -0.196 3.924 4.120 -0.000 0.000 0.246 77 V C 3.042 178.949 176.094 -0.311 0.000 1.047 77 V CA 1.755 63.730 62.300 -0.542 0.000 1.035 77 V CB -1.151 30.513 31.823 -0.265 0.000 0.658 77 V HN 0.610 nan 8.190 nan 0.000 0.452 78 A N -0.123 122.614 122.820 -0.138 0.000 1.908 78 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 78 A C 2.386 179.944 177.584 -0.042 0.000 1.181 78 A CA 2.149 54.156 52.037 -0.050 0.000 0.627 78 A CB -0.680 18.293 19.000 -0.045 0.000 0.818 78 A HN 0.340 nan 8.150 nan 0.000 0.445 79 V N -0.148 119.712 119.914 -0.089 0.000 2.358 79 V HA -0.161 3.959 4.120 -0.000 0.000 0.246 79 V C 2.809 178.865 176.094 -0.063 0.000 1.047 79 V CA 1.887 64.149 62.300 -0.064 0.000 1.035 79 V CB -1.420 30.368 31.823 -0.059 0.000 0.658 79 V HN 0.617 nan 8.190 nan 0.000 0.452 80 G N -1.655 107.036 108.800 -0.182 0.000 2.418 80 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.217 80 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.217 80 G C 1.506 176.386 174.900 -0.034 0.000 1.158 80 G CA 0.860 45.885 45.100 -0.125 0.000 0.771 80 G HN 0.525 nan 8.290 nan 0.000 0.545 81 Y N 1.006 121.255 120.300 -0.084 0.000 2.263 81 Y HA 0.125 4.675 4.550 -0.000 0.000 0.292 81 Y C 3.093 179.009 175.900 0.028 0.000 1.130 81 Y CA 0.832 58.947 58.100 0.025 0.000 1.179 81 Y CB 0.015 38.470 38.460 -0.009 0.000 0.998 81 Y HN 0.267 nan 8.280 nan 0.000 0.532 82 A N -0.198 122.700 122.820 0.129 0.000 1.930 82 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 82 A C 2.099 179.696 177.584 0.023 0.000 1.175 82 A CA 1.313 53.383 52.037 0.054 0.000 0.627 82 A CB -0.947 18.055 19.000 0.002 0.000 0.815 82 A HN 0.475 nan 8.150 nan 0.000 0.443 83 L N -0.842 120.404 121.223 0.038 0.000 2.291 83 L HA -0.108 4.231 4.340 -0.000 0.000 0.214 83 L C 2.858 179.792 176.870 0.107 0.000 1.120 83 L CA 0.702 55.581 54.840 0.065 0.000 0.799 83 L CB -0.362 41.743 42.059 0.075 0.000 0.925 83 L HN 0.432 nan 8.230 nan 0.000 0.446 84 A N -0.727 122.152 122.820 0.099 0.000 2.121 84 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 84 A C 2.136 179.804 177.584 0.141 0.000 1.154 84 A CA 1.177 53.277 52.037 0.104 0.000 0.679 84 A CB -0.238 18.807 19.000 0.076 0.000 0.795 84 A HN 0.229 nan 8.150 nan 0.000 0.458 85 V N -0.845 119.146 119.914 0.127 0.000 2.627 85 V HA -0.078 4.042 4.120 -0.000 0.000 0.239 85 V C 2.668 178.826 176.094 0.108 0.000 1.077 85 V CA 1.940 64.331 62.300 0.151 0.000 1.103 85 V CB -0.655 31.233 31.823 0.109 0.000 0.802 85 V HN 0.693 nan 8.190 nan 0.000 0.482 86 T N -2.840 111.624 114.554 -0.150 0.000 3.113 86 T HA -0.048 4.302 4.350 -0.000 0.000 0.256 86 T C 0.895 175.603 174.700 0.013 0.000 1.131 86 T CA 0.824 62.639 62.100 -0.475 0.000 1.074 86 T CB -0.284 68.187 68.868 -0.662 0.000 0.944 86 T HN 0.573 nan 8.240 nan 0.000 0.516 87 H N 1.334 120.405 119.070 0.002 0.000 2.616 87 H HA 0.275 4.830 4.556 -0.000 0.000 0.229 87 H C -2.098 173.268 175.328 0.063 0.000 1.418 87 H CA -1.669 54.405 56.048 0.042 0.000 1.248 87 H CB 1.575 31.340 29.762 0.005 0.000 1.822 87 H HN 0.134 nan 8.280 nan 0.000 0.522 88 P HA -0.221 nan 4.420 nan 0.000 0.222 88 P C 1.401 178.589 177.300 -0.186 0.000 1.142 88 P CA 0.879 63.970 63.100 -0.014 0.000 0.788 88 P CB 0.232 31.993 31.700 0.102 0.000 0.767 89 Q N -0.394 119.197 119.800 -0.348 0.000 2.230 89 Q HA 0.007 4.346 4.340 -0.000 0.000 0.202 89 Q C 1.594 177.422 176.000 -0.286 0.000 0.963 89 Q CA 1.907 57.504 55.803 -0.344 0.000 0.866 89 Q CB -0.581 27.932 28.738 -0.375 0.000 0.931 89 Q HN 0.295 nan 8.270 nan 0.000 0.452 90 A N 0.476 123.126 122.820 -0.282 0.000 1.857 90 A HA 0.400 4.720 4.320 -0.000 0.000 0.198 90 A C 1.191 178.804 177.584 0.050 0.000 1.775 90 A CA 0.344 52.346 52.037 -0.059 0.000 1.281 90 A CB -0.386 18.648 19.000 0.058 0.000 1.355 90 A HN 0.360 nan 8.150 nan 0.000 0.417 91 G N 0.989 109.878 108.800 0.148 0.000 2.484 91 G HA2 0.403 4.363 3.960 -0.000 0.000 0.235 91 G HA3 0.403 4.363 3.960 -0.000 0.000 0.235 91 G C -0.315 174.623 174.900 0.063 0.000 1.282 91 G CA 0.677 45.862 45.100 0.142 0.000 0.857 91 G HN 1.155 nan 8.290 nan 0.000 0.571 92 N N -0.892 117.833 118.700 0.042 0.000 3.185 92 N HA 0.268 5.008 4.740 -0.000 0.000 0.238 92 N C -0.239 175.233 175.510 -0.062 0.000 1.451 92 N CA -0.902 52.149 53.050 0.002 0.000 0.888 92 N CB 0.789 39.263 38.487 -0.022 0.000 1.413 92 N HN 0.238 nan 8.380 nan 0.000 0.511 93 L N -1.116 120.076 121.223 -0.052 0.000 2.840 93 L HA 0.456 4.796 4.340 -0.000 0.000 0.249 93 L C 1.431 178.241 176.870 -0.099 0.000 1.119 93 L CA 0.365 55.119 54.840 -0.143 0.000 0.930 93 L CB 0.568 42.628 42.059 0.002 0.000 1.295 93 L HN 0.906 nan 8.230 nan 0.000 0.534 94 G N -0.047 108.760 108.800 0.010 0.000 3.371 94 G HA2 0.400 4.359 3.960 -0.000 0.000 0.248 94 G HA3 0.400 4.359 3.960 -0.000 0.000 0.248 94 G C 0.452 175.345 174.900 -0.011 0.000 1.161 94 G CA 0.537 45.672 45.100 0.058 0.000 0.796 94 G HN 0.343 nan 8.290 nan 0.000 0.539 95 G N -1.000 107.761 108.800 -0.066 0.000 3.264 95 G HA2 0.725 4.685 3.960 -0.000 0.000 0.168 95 G HA3 0.725 4.685 3.960 -0.000 0.000 0.168 95 G C -0.202 174.637 174.900 -0.102 0.000 1.145 95 G CA -0.142 44.910 45.100 -0.080 0.000 0.855 95 G HN 0.751 nan 8.290 nan 0.000 0.629 96 G N -2.938 105.794 108.800 -0.114 0.000 2.550 96 G HA2 0.737 4.697 3.960 -0.000 0.000 0.293 96 G HA3 0.737 4.697 3.960 -0.000 0.000 0.293 96 G C -0.519 174.156 174.900 -0.375 0.000 1.402 96 G CA 0.404 45.429 45.100 -0.125 0.000 0.784 96 G HN 1.858 nan 8.290 nan 0.000 0.482 97 G N -1.832 106.376 108.800 -0.986 0.000 2.364 97 G HA2 0.603 4.563 3.960 -0.000 0.000 0.286 97 G HA3 0.603 4.563 3.960 -0.000 0.000 0.286 97 G C -2.107 171.558 174.900 -2.058 0.000 1.241 97 G CA -0.573 43.717 45.100 -1.349 0.000 0.887 97 G HN 0.830 nan 8.290 nan 0.000 0.484 98 F N -0.085 119.307 119.950 -0.930 0.000 2.588 98 F HA 0.846 5.373 4.527 -0.000 0.000 0.314 98 F C 0.221 175.976 175.800 -0.075 0.000 1.069 98 F CA -0.958 56.729 58.000 -0.522 0.000 0.931 98 F CB 2.568 41.424 39.000 -0.240 0.000 1.260 98 F HN 0.497 nan 8.300 nan 0.000 0.465 99 M N 3.653 123.470 119.600 0.361 0.000 2.267 99 M HA 0.596 5.076 4.480 -0.000 0.000 0.289 99 M C -2.294 174.115 176.300 0.181 0.000 1.043 99 M CA -0.930 54.575 55.300 0.342 0.000 0.928 99 M CB 1.895 34.785 32.600 0.485 0.000 1.613 99 M HN 0.602 nan 8.290 nan 0.000 0.450 100 L N 6.081 127.367 121.223 0.104 0.000 2.307 100 L HA 0.680 5.019 4.340 -0.000 0.000 0.284 100 L C -1.623 175.237 176.870 -0.018 0.000 1.023 100 L CA -0.245 54.608 54.840 0.022 0.000 0.810 100 L CB 1.540 43.604 42.059 0.008 0.000 1.231 100 L HN 0.691 nan 8.230 nan 0.000 0.423 101 I N 4.883 125.397 120.570 -0.094 0.000 2.465 101 I HA 0.553 4.722 4.170 -0.000 0.000 0.291 101 I C -0.306 175.674 176.117 -0.228 0.000 1.014 101 I CA -0.393 60.807 61.300 -0.167 0.000 1.093 101 I CB 1.790 39.614 38.000 -0.292 0.000 1.267 101 I HN 0.502 nan 8.210 nan 0.000 0.431 102 R N 4.199 124.584 120.500 -0.193 0.000 2.468 102 R HA 0.544 4.883 4.340 -0.000 0.000 0.302 102 R C -0.506 175.702 176.300 -0.154 0.000 1.041 102 R CA -0.298 55.678 56.100 -0.206 0.000 0.899 102 R CB 1.296 31.476 30.300 -0.200 0.000 1.167 102 R HN 0.865 nan 8.270 nan 0.000 0.483 103 S N 2.583 118.188 115.700 -0.159 0.000 2.600 103 S HA 0.048 4.518 4.470 -0.000 0.000 0.265 103 S C 1.080 175.640 174.600 -0.065 0.000 1.325 103 S CA -0.382 57.760 58.200 -0.097 0.000 1.002 103 S CB 1.250 64.405 63.200 -0.076 0.000 0.921 103 S HN 0.785 nan 8.310 nan 0.000 0.554 104 K N 1.005 121.383 120.400 -0.037 0.000 2.360 104 K HA -0.176 4.144 4.320 -0.000 0.000 0.201 104 K C 0.693 177.280 176.600 -0.021 0.000 1.046 104 K CA 1.785 58.057 56.287 -0.024 0.000 0.940 104 K CB -0.879 31.615 32.500 -0.011 0.000 0.748 104 K HN 0.781 nan 8.250 nan 0.000 0.465 105 N N -0.547 118.139 118.700 -0.023 0.000 2.251 105 N HA 0.193 4.933 4.740 -0.000 0.000 0.217 105 N C 0.837 176.331 175.510 -0.026 0.000 1.124 105 N CA 0.117 53.157 53.050 -0.016 0.000 0.843 105 N CB 1.235 39.718 38.487 -0.005 0.000 1.024 105 N HN 0.338 nan 8.380 nan 0.000 0.501 106 G N 0.504 109.275 108.800 -0.049 0.000 2.258 106 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.233 106 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.233 106 G C -0.169 174.665 174.900 -0.111 0.000 1.006 106 G CA -0.115 44.945 45.100 -0.067 0.000 0.620 106 G HN 0.613 nan 8.290 nan 0.000 0.511 107 N N 1.704 120.348 118.700 -0.094 0.000 2.418 107 N HA 0.300 5.040 4.740 -0.000 0.000 0.277 107 N C -0.548 174.843 175.510 -0.199 0.000 1.317 107 N CA 0.800 53.784 53.050 -0.109 0.000 0.922 107 N CB 0.133 38.585 38.487 -0.059 0.000 1.194 107 N HN 0.209 nan 8.380 nan 0.000 0.485 108 T N 2.608 117.013 114.554 -0.249 0.000 2.779 108 T HA 0.288 4.638 4.350 -0.000 0.000 0.280 108 T C -0.172 174.390 174.700 -0.230 0.000 0.987 108 T CA -0.418 61.476 62.100 -0.344 0.000 0.966 108 T CB 1.728 70.181 68.868 -0.691 0.000 0.933 108 T HN 0.413 nan 8.240 nan 0.000 0.442 109 T N 1.240 115.669 114.554 -0.209 0.000 2.864 109 T HA 0.749 5.098 4.350 -0.000 0.000 0.299 109 T C -1.638 173.007 174.700 -0.091 0.000 1.166 109 T CA -0.528 61.497 62.100 -0.125 0.000 1.007 109 T CB 1.378 70.190 68.868 -0.093 0.000 1.219 109 T HN 0.751 nan 8.240 nan 0.000 0.506 110 A N 2.780 125.575 122.820 -0.042 0.000 2.365 110 A HA 0.850 5.170 4.320 -0.000 0.000 0.318 110 A C -0.963 176.656 177.584 0.059 0.000 1.091 110 A CA -0.695 51.334 52.037 -0.014 0.000 0.763 110 A CB 0.756 19.710 19.000 -0.077 0.000 1.248 110 A HN 0.797 nan 8.150 nan 0.000 0.442 111 I N 2.158 122.815 120.570 0.145 0.000 2.382 111 I HA 0.231 4.401 4.170 -0.000 0.000 0.286 111 I C -0.863 175.455 176.117 0.336 0.000 1.002 111 I CA -0.478 60.974 61.300 0.253 0.000 1.135 111 I CB 1.814 40.017 38.000 0.338 0.000 1.288 111 I HN 0.647 nan 8.210 nan 0.000 0.448 112 D N 7.814 128.380 120.400 0.278 0.000 2.380 112 D HA 0.168 4.808 4.640 -0.000 0.000 0.230 112 D C -0.430 176.081 176.300 0.352 0.000 1.154 112 D CA -0.367 53.832 54.000 0.331 0.000 0.859 112 D CB 0.584 41.511 40.800 0.211 0.000 1.045 112 D HN 0.384 nan 8.370 nan 0.000 0.495 113 F N 2.140 122.203 119.950 0.188 0.000 2.818 113 F HA 0.456 4.983 4.527 -0.000 0.000 0.369 113 F C 0.167 175.994 175.800 0.046 0.000 1.327 113 F CA -1.349 56.732 58.000 0.135 0.000 1.211 113 F CB -0.124 38.882 39.000 0.010 0.000 1.036 113 F HN 0.029 nan 8.300 nan 0.000 0.510 114 R N 1.811 122.295 120.500 -0.027 0.000 2.594 114 R HA 0.265 4.605 4.340 -0.000 0.000 0.272 114 R C -0.173 176.201 176.300 0.123 0.000 1.074 114 R CA -0.048 55.964 56.100 -0.148 0.000 1.105 114 R CB 0.426 30.666 30.300 -0.100 0.000 1.008 114 R HN 0.416 nan 8.270 nan 0.000 0.472 115 E N 2.453 122.674 120.200 0.036 0.000 2.404 115 E HA 0.085 4.435 4.350 -0.000 0.000 0.261 115 E C -0.327 176.399 176.600 0.210 0.000 1.074 115 E CA 0.587 57.053 56.400 0.111 0.000 0.917 115 E CB 0.516 30.229 29.700 0.022 0.000 0.965 115 E HN 0.462 nan 8.360 nan 0.000 0.433 116 M N 1.709 121.486 119.600 0.295 0.000 2.336 116 M HA 0.420 4.900 4.480 -0.000 0.000 0.342 116 M C -0.373 176.021 176.300 0.156 0.000 1.128 116 M CA -0.849 54.598 55.300 0.244 0.000 1.016 116 M CB 1.861 34.654 32.600 0.321 0.000 1.665 116 M HN 0.570 nan 8.290 nan 0.000 0.445 117 A N 4.247 127.122 122.820 0.091 0.000 2.462 117 A HA 0.475 4.795 4.320 -0.000 0.000 0.243 117 A C -2.431 175.196 177.584 0.071 0.000 1.076 117 A CA -1.015 51.060 52.037 0.064 0.000 0.773 117 A CB -0.761 18.246 19.000 0.012 0.000 1.010 117 A HN 0.461 nan 8.150 nan 0.000 0.493 118 P HA 0.160 nan 4.420 nan 0.000 0.268 118 P C 0.901 178.227 177.300 0.045 0.000 1.208 118 P CA 0.623 63.761 63.100 0.064 0.000 0.777 118 P CB 0.650 32.379 31.700 0.048 0.000 0.875 119 A N 2.986 125.839 122.820 0.055 0.000 1.978 119 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 119 A C 1.576 179.172 177.584 0.021 0.000 1.170 119 A CA 1.561 53.625 52.037 0.045 0.000 0.636 119 A CB -0.743 18.288 19.000 0.052 0.000 0.810 119 A HN 0.378 nan 8.150 nan 0.000 0.448 120 K N 0.174 120.581 120.400 0.011 0.000 2.444 120 K HA 0.308 4.627 4.320 -0.000 0.000 0.193 120 K C 0.644 177.223 176.600 -0.035 0.000 1.024 120 K CA 0.544 56.826 56.287 -0.009 0.000 1.077 120 K CB -0.827 31.668 32.500 -0.009 0.000 0.833 120 K HN 0.448 nan 8.250 nan 0.000 0.517 121 A N 1.837 124.635 122.820 -0.037 0.000 2.462 121 A HA 0.266 4.586 4.320 -0.000 0.000 0.243 121 A C 0.506 178.039 177.584 -0.085 0.000 1.076 121 A CA 0.060 52.050 52.037 -0.079 0.000 0.773 121 A CB 0.004 18.970 19.000 -0.056 0.000 1.010 121 A HN 0.307 nan 8.150 nan 0.000 0.493 122 T N -0.657 113.821 114.554 -0.127 0.000 2.916 122 T HA 0.487 4.837 4.350 -0.000 0.000 0.292 122 T C 0.963 175.597 174.700 -0.110 0.000 1.055 122 T CA -0.725 61.316 62.100 -0.098 0.000 1.009 122 T CB 1.480 70.296 68.868 -0.086 0.000 1.118 122 T HN 0.671 nan 8.240 nan 0.000 0.497 123 R N 0.173 120.634 120.500 -0.065 0.000 2.117 123 R HA -0.131 4.209 4.340 -0.000 0.000 0.243 123 R C 0.178 176.457 176.300 -0.035 0.000 1.143 123 R CA 1.948 58.025 56.100 -0.039 0.000 0.968 123 R CB -0.237 30.053 30.300 -0.017 0.000 0.863 123 R HN 0.665 nan 8.270 nan 0.000 0.444 124 D N -0.012 120.356 120.400 -0.054 0.000 2.463 124 D HA 0.002 4.642 4.640 -0.000 0.000 0.224 124 D C 1.405 177.647 176.300 -0.097 0.000 1.174 124 D CA 0.046 54.022 54.000 -0.040 0.000 0.829 124 D CB 0.298 41.086 40.800 -0.020 0.000 0.993 124 D HN 0.455 nan 8.370 nan 0.000 0.497 125 M N -1.803 117.660 119.600 -0.228 0.000 2.267 125 M HA -0.090 4.390 4.480 -0.000 0.000 0.263 125 M C 0.637 176.684 176.300 -0.421 0.000 1.063 125 M CA 1.538 56.608 55.300 -0.384 0.000 1.090 125 M CB -0.430 31.810 32.600 -0.599 0.000 1.392 125 M HN -0.176 nan 8.290 nan 0.000 0.422 126 F N 1.178 121.128 119.950 0.001 0.000 2.727 126 F HA 0.457 4.984 4.527 -0.000 0.000 0.302 126 F C 0.500 176.301 175.800 0.002 0.000 1.097 126 F CA -0.544 57.457 58.000 0.002 0.000 1.330 126 F CB -0.147 38.853 39.000 -0.000 0.000 1.084 126 F HN 0.008 nan 8.300 nan 0.000 0.578 127 L N 1.354 122.650 121.223 0.121 0.000 2.326 127 L HA 0.231 4.570 4.340 -0.000 0.000 0.278 127 L C 0.303 177.205 176.870 0.053 0.000 1.092 127 L CA -0.924 53.964 54.840 0.080 0.000 0.810 127 L CB 0.449 42.538 42.059 0.050 0.000 1.153 127 L HN 0.075 nan 8.230 nan 0.000 0.439 128 D N 0.581 121.010 120.400 0.048 0.000 2.380 128 D HA -0.031 4.609 4.640 -0.000 0.000 0.254 128 D C 0.515 176.828 176.300 0.022 0.000 1.288 128 D CA -0.448 53.572 54.000 0.034 0.000 1.008 128 D CB 0.501 41.320 40.800 0.031 0.000 1.099 128 D HN 0.383 nan 8.370 nan 0.000 0.537 129 D N -0.942 119.468 120.400 0.016 0.000 2.190 129 D HA -0.158 4.482 4.640 -0.000 0.000 0.200 129 D C 1.889 178.196 176.300 0.010 0.000 0.992 129 D CA 1.220 55.226 54.000 0.010 0.000 0.854 129 D CB -0.064 40.742 40.800 0.008 0.000 0.936 129 D HN 0.368 nan 8.370 nan 0.000 0.462 130 Q N -0.760 119.048 119.800 0.012 0.000 2.230 130 Q HA 0.090 4.430 4.340 -0.000 0.000 0.202 130 Q C 1.665 177.673 176.000 0.013 0.000 0.963 130 Q CA 1.167 56.976 55.803 0.011 0.000 0.866 130 Q CB 0.082 28.826 28.738 0.011 0.000 0.931 130 Q HN 0.392 nan 8.270 nan 0.000 0.452 131 G N 0.791 109.601 108.800 0.017 0.000 2.154 131 G HA2 -0.190 3.769 3.960 -0.000 0.000 0.186 131 G HA3 -0.190 3.769 3.960 -0.000 0.000 0.186 131 G C -0.428 174.487 174.900 0.024 0.000 1.000 131 G CA -0.176 44.936 45.100 0.019 0.000 0.664 131 G HN 0.393 nan 8.290 nan 0.000 0.513 132 N N 1.454 120.170 118.700 0.026 0.000 2.430 132 N HA 0.581 5.321 4.740 -0.000 0.000 0.292 132 N C -2.807 172.727 175.510 0.040 0.000 1.051 132 N CA -1.587 51.480 53.050 0.027 0.000 0.917 132 N CB 1.675 40.174 38.487 0.019 0.000 1.164 132 N HN -0.020 nan 8.380 nan 0.000 0.484 133 P HA -0.041 nan 4.420 nan 0.000 0.264 133 P C -0.938 176.389 177.300 0.045 0.000 1.193 133 P CA 0.326 63.461 63.100 0.058 0.000 0.763 133 P CB 0.413 32.134 31.700 0.036 0.000 0.810 134 D N 1.825 122.267 120.400 0.069 0.000 2.454 134 D HA 0.085 4.725 4.640 -0.000 0.000 0.225 134 D C 1.096 177.404 176.300 0.014 0.000 1.081 134 D CA -0.279 53.751 54.000 0.050 0.000 0.864 134 D CB 0.531 41.379 40.800 0.079 0.000 1.040 134 D HN 0.175 nan 8.370 nan 0.000 0.517 135 S N 3.771 119.458 115.700 -0.022 0.000 2.383 135 S HA -0.251 4.219 4.470 -0.000 0.000 0.229 135 S C 1.667 176.232 174.600 -0.058 0.000 1.030 135 S CA 0.882 59.043 58.200 -0.066 0.000 1.002 135 S CB -0.167 63.003 63.200 -0.050 0.000 0.829 135 S HN 0.466 nan 8.310 nan 0.000 0.467 136 K N 1.410 121.801 120.400 -0.015 0.000 2.044 136 K HA -0.092 4.228 4.320 -0.000 0.000 0.210 136 K C 2.403 179.016 176.600 0.021 0.000 1.049 136 K CA 1.753 58.042 56.287 0.003 0.000 0.927 136 K CB -0.204 32.308 32.500 0.020 0.000 0.713 136 K HN 0.441 nan 8.250 nan 0.000 0.443 137 K N 0.380 120.817 120.400 0.060 0.000 2.097 137 K HA -0.078 4.242 4.320 -0.000 0.000 0.205 137 K C 2.102 178.769 176.600 0.111 0.000 1.050 137 K CA 1.611 57.991 56.287 0.154 0.000 0.938 137 K CB 0.007 32.679 32.500 0.286 0.000 0.718 137 K HN 0.178 nan 8.250 nan 0.000 0.442 138 S N -0.235 115.345 115.700 -0.200 0.000 2.575 138 S HA 0.136 4.606 4.470 -0.000 0.000 0.215 138 S C 1.519 175.934 174.600 -0.308 0.000 0.966 138 S CA 0.067 57.884 58.200 -0.638 0.000 0.911 138 S CB 0.089 62.577 63.200 -1.186 0.000 0.780 138 S HN 0.153 nan 8.310 nan 0.000 0.514 139 L N 0.510 121.641 121.223 -0.153 0.000 2.758 139 L HA 0.213 4.553 4.340 -0.000 0.000 0.234 139 L C 2.108 178.943 176.870 -0.058 0.000 1.049 139 L CA 0.940 55.717 54.840 -0.104 0.000 0.908 139 L CB 0.186 42.193 42.059 -0.087 0.000 1.362 139 L HN 0.478 nan 8.230 nan 0.000 0.499 140 T N -3.901 110.638 114.554 -0.025 0.000 3.003 140 T HA 0.157 4.507 4.350 -0.000 0.000 0.261 140 T C 0.754 175.469 174.700 0.025 0.000 1.003 140 T CA 0.156 62.258 62.100 0.003 0.000 0.917 140 T CB 0.187 69.070 68.868 0.025 0.000 1.084 140 T HN 0.165 nan 8.240 nan 0.000 0.522 141 S N 0.327 116.053 115.700 0.043 0.000 2.713 141 S HA 0.392 4.861 4.470 -0.000 0.000 0.283 141 S C 0.610 175.242 174.600 0.052 0.000 1.161 141 S CA -0.459 57.800 58.200 0.099 0.000 0.999 141 S CB 0.776 64.063 63.200 0.146 0.000 1.039 141 S HN 0.247 nan 8.310 nan 0.000 0.548 142 H N 0.307 119.401 119.070 0.039 0.000 2.543 142 H HA 0.167 4.722 4.556 -0.000 0.000 0.286 142 H C 1.255 176.614 175.328 0.050 0.000 1.037 142 H CA 1.344 57.403 56.048 0.019 0.000 1.250 142 H CB -0.483 29.283 29.762 0.006 0.000 1.373 142 H HN 0.431 nan 8.280 nan 0.000 0.580 143 L N -0.636 120.703 121.223 0.194 0.000 2.478 143 L HA 0.040 4.380 4.340 -0.000 0.000 0.223 143 L C 2.350 179.405 176.870 0.308 0.000 1.140 143 L CA 0.509 55.472 54.840 0.205 0.000 0.842 143 L CB -0.225 41.956 42.059 0.203 0.000 0.953 143 L HN 0.292 nan 8.230 nan 0.000 0.452 144 A N -0.670 122.274 122.820 0.206 0.000 2.119 144 A HA -0.002 4.318 4.320 -0.000 0.000 0.217 144 A C 1.264 178.890 177.584 0.072 0.000 1.153 144 A CA 0.448 52.551 52.037 0.109 0.000 0.692 144 A CB -0.214 18.776 19.000 -0.017 0.000 0.799 144 A HN 0.322 nan 8.150 nan 0.000 0.458 145 S N -0.114 115.627 115.700 0.068 0.000 2.537 145 S HA 0.533 5.002 4.470 -0.000 0.000 0.275 145 S C 0.439 175.078 174.600 0.064 0.000 1.272 145 S CA -0.213 58.010 58.200 0.038 0.000 1.050 145 S CB 1.510 64.715 63.200 0.009 0.000 0.961 145 S HN 0.555 nan 8.310 nan 0.000 0.496 146 G N 1.002 109.831 108.800 0.047 0.000 2.461 146 G HA2 0.497 4.456 3.960 -0.000 0.000 0.329 146 G HA3 0.497 4.456 3.960 -0.000 0.000 0.329 146 G C -0.530 174.406 174.900 0.058 0.000 1.170 146 G CA -0.684 44.455 45.100 0.065 0.000 0.935 146 G HN 0.566 nan 8.290 nan 0.000 0.492 147 T N 3.119 117.728 114.554 0.092 0.000 2.817 147 T HA 0.267 4.617 4.350 -0.000 0.000 0.295 147 T C -2.167 172.512 174.700 -0.034 0.000 0.958 147 T CA -0.280 61.873 62.100 0.090 0.000 1.157 147 T CB 0.927 69.915 68.868 0.200 0.000 0.898 147 T HN 0.199 nan 8.240 nan 0.000 0.536 148 P HA 0.152 nan 4.420 nan 0.000 0.264 148 P C 0.794 177.857 177.300 -0.395 0.000 1.183 148 P CA 0.099 63.140 63.100 -0.099 0.000 0.763 148 P CB 0.456 32.222 31.700 0.109 0.000 0.807 149 G N 1.353 109.930 108.800 -0.372 0.000 2.944 149 G HA2 -0.045 3.914 3.960 -0.000 0.000 0.223 149 G HA3 -0.045 3.914 3.960 -0.000 0.000 0.223 149 G C 1.187 176.007 174.900 -0.134 0.000 1.071 149 G CA 0.151 45.015 45.100 -0.394 0.000 0.806 149 G HN 0.348 nan 8.290 nan 0.000 0.538 150 T N 1.473 115.879 114.554 -0.248 0.000 2.597 150 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 150 T C 2.547 176.713 174.700 -0.889 0.000 1.053 150 T CA 1.787 63.482 62.100 -0.674 0.000 1.165 150 T CB -0.336 68.187 68.868 -0.576 0.000 0.863 150 T HN 0.028 nan 8.240 nan 0.000 0.427 151 V N 1.546 121.087 119.914 -0.623 0.000 2.332 151 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 151 V C 2.832 178.886 176.094 -0.067 0.000 1.055 151 V CA 1.817 63.911 62.300 -0.344 0.000 1.038 151 V CB -1.193 30.317 31.823 -0.523 0.000 0.651 151 V HN 0.572 nan 8.190 nan 0.000 0.450 152 A N 0.287 123.136 122.820 0.049 0.000 1.930 152 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 152 A C 2.412 179.960 177.584 -0.059 0.000 1.175 152 A CA 1.829 53.886 52.037 0.032 0.000 0.627 152 A CB -1.137 17.841 19.000 -0.036 0.000 0.815 152 A HN 0.527 nan 8.150 nan 0.000 0.443 153 G N -1.041 107.596 108.800 -0.271 0.000 2.421 153 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.216 153 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.216 153 G C 1.292 175.990 174.900 -0.336 0.000 1.171 153 G CA 1.086 45.911 45.100 -0.458 0.000 0.775 153 G HN 0.375 nan 8.290 nan 0.000 0.543 154 F N 1.672 121.359 119.950 -0.440 0.000 2.186 154 F HA 0.032 4.558 4.527 -0.000 0.000 0.299 154 F C 3.010 178.780 175.800 -0.050 0.000 1.090 154 F CA 0.845 58.712 58.000 -0.222 0.000 1.307 154 F CB -0.774 38.123 39.000 -0.172 0.000 1.019 154 F HN 0.097 nan 8.300 nan 0.000 0.489 155 S N 0.244 116.043 115.700 0.166 0.000 2.387 155 S HA -0.109 4.361 4.470 -0.000 0.000 0.226 155 S C 2.221 176.865 174.600 0.074 0.000 1.026 155 S CA 0.619 58.892 58.200 0.123 0.000 0.972 155 S CB -0.508 62.763 63.200 0.118 0.000 0.814 155 S HN 0.366 nan 8.310 nan 0.000 0.477 156 L N 1.272 122.529 121.223 0.057 0.000 2.017 156 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 156 L C 2.459 179.366 176.870 0.062 0.000 1.073 156 L CA 1.643 56.509 54.840 0.042 0.000 0.745 156 L CB -0.611 41.481 42.059 0.054 0.000 0.894 156 L HN 0.336 nan 8.230 nan 0.000 0.432 157 A N -0.282 122.618 122.820 0.134 0.000 1.877 157 A HA -0.248 4.072 4.320 -0.000 0.000 0.216 157 A C 2.166 179.846 177.584 0.160 0.000 1.186 157 A CA 1.970 54.142 52.037 0.224 0.000 0.620 157 A CB -0.963 18.184 19.000 0.245 0.000 0.822 157 A HN 0.477 nan 8.150 nan 0.000 0.443 158 L N 0.170 121.459 121.223 0.110 0.000 1.994 158 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 158 L C 1.738 178.621 176.870 0.023 0.000 1.071 158 L CA 2.575 57.455 54.840 0.067 0.000 0.745 158 L CB -0.664 41.431 42.059 0.059 0.000 0.892 158 L HN 0.367 nan 8.230 nan 0.000 0.431 159 D N -0.616 119.786 120.400 0.003 0.000 2.144 159 D HA -0.221 4.418 4.640 -0.000 0.000 0.199 159 D C 2.131 178.371 176.300 -0.100 0.000 0.984 159 D CA 1.438 55.417 54.000 -0.034 0.000 0.834 159 D CB -0.037 40.746 40.800 -0.028 0.000 0.955 159 D HN 0.390 nan 8.370 nan 0.000 0.465 160 K N -1.053 119.235 120.400 -0.186 0.000 2.166 160 K HA -0.036 4.284 4.320 -0.000 0.000 0.201 160 K C 0.977 177.232 176.600 -0.575 0.000 1.052 160 K CA 0.569 56.593 56.287 -0.439 0.000 0.969 160 K CB 0.248 32.345 32.500 -0.671 0.000 0.761 160 K HN 0.098 nan 8.250 nan 0.000 0.459 161 Y N -0.734 119.574 120.300 0.013 0.000 2.453 161 Y HA 0.341 4.891 4.550 -0.000 0.000 0.247 161 Y C 1.028 176.930 175.900 0.004 0.000 1.124 161 Y CA -0.323 57.782 58.100 0.008 0.000 1.243 161 Y CB 0.635 39.103 38.460 0.012 0.000 1.213 161 Y HN 0.005 nan 8.280 nan 0.000 0.523 162 G N -0.150 108.714 108.800 0.106 0.000 2.525 162 G HA2 0.397 4.356 3.960 -0.000 0.000 0.287 162 G HA3 0.397 4.356 3.960 -0.000 0.000 0.287 162 G C 0.786 175.706 174.900 0.033 0.000 1.350 162 G CA 0.316 45.455 45.100 0.065 0.000 1.039 162 G HN 0.168 nan 8.290 nan 0.000 0.513 163 T N -3.791 110.774 114.554 0.018 0.000 3.009 163 T HA 0.328 4.678 4.350 -0.000 0.000 0.267 163 T C 0.774 175.473 174.700 -0.002 0.000 0.942 163 T CA -0.108 61.996 62.100 0.008 0.000 0.883 163 T CB -0.001 68.872 68.868 0.009 0.000 1.192 163 T HN 0.253 nan 8.240 nan 0.000 0.524 164 M N 2.853 122.450 119.600 -0.005 0.000 2.528 164 M HA 0.535 5.015 4.480 -0.000 0.000 0.318 164 M C -2.467 173.822 176.300 -0.019 0.000 1.195 164 M CA -2.376 52.916 55.300 -0.014 0.000 1.000 164 M CB 1.447 34.035 32.600 -0.019 0.000 1.615 164 M HN -0.046 nan 8.290 nan 0.000 0.469 165 P HA 0.073 nan 4.420 nan 0.000 0.277 165 P C 0.264 177.537 177.300 -0.046 0.000 1.240 165 P CA -0.450 62.632 63.100 -0.030 0.000 0.798 165 P CB 0.944 32.626 31.700 -0.031 0.000 0.979 166 L N 2.747 123.941 121.223 -0.047 0.000 2.079 166 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 166 L C 2.173 178.963 176.870 -0.133 0.000 1.081 166 L CA 2.125 56.918 54.840 -0.079 0.000 0.752 166 L CB -1.333 40.693 42.059 -0.054 0.000 0.896 166 L HN 0.477 nan 8.230 nan 0.000 0.433 167 N N -0.969 117.667 118.700 -0.108 0.000 2.149 167 N HA -0.245 4.494 4.740 -0.000 0.000 0.188 167 N C 1.436 176.878 175.510 -0.113 0.000 1.019 167 N CA 1.401 54.375 53.050 -0.126 0.000 0.857 167 N CB -0.396 38.029 38.487 -0.103 0.000 0.997 167 N HN 0.332 nan 8.380 nan 0.000 0.426 168 K N 1.083 121.434 120.400 -0.083 0.000 2.097 168 K HA -0.003 4.317 4.320 -0.000 0.000 0.205 168 K C 2.257 178.815 176.600 -0.070 0.000 1.050 168 K CA 1.141 57.391 56.287 -0.061 0.000 0.938 168 K CB -0.799 31.675 32.500 -0.043 0.000 0.718 168 K HN 0.424 nan 8.250 nan 0.000 0.442 169 V N -2.023 117.833 119.914 -0.097 0.000 3.306 169 V HA 0.021 4.141 4.120 -0.000 0.000 0.264 169 V C 1.948 177.946 176.094 -0.159 0.000 1.149 169 V CA 0.555 62.794 62.300 -0.101 0.000 1.143 169 V CB -0.296 31.474 31.823 -0.088 0.000 0.767 169 V HN -0.120 nan 8.190 nan 0.000 0.476 170 V N -0.039 119.727 119.914 -0.247 0.000 2.992 170 V HA -0.052 4.068 4.120 -0.000 0.000 0.250 170 V C 2.506 178.550 176.094 -0.084 0.000 1.090 170 V CA 1.449 63.547 62.300 -0.337 0.000 1.101 170 V CB 0.347 31.862 31.823 -0.513 0.000 0.743 170 V HN 0.582 nan 8.190 nan 0.000 0.468 171 Q N 1.204 120.979 119.800 -0.042 0.000 2.096 171 Q HA -0.199 4.141 4.340 -0.000 0.000 0.208 171 Q C -0.240 175.834 176.000 0.123 0.000 0.993 171 Q CA 2.654 58.500 55.803 0.070 0.000 0.862 171 Q CB -1.477 27.282 28.738 0.035 0.000 0.915 171 Q HN 0.416 nan 8.270 nan 0.000 0.416 172 P HA -0.162 nan 4.420 nan 0.000 0.216 172 P C 0.685 178.022 177.300 0.062 0.000 1.153 172 P CA 2.228 65.356 63.100 0.048 0.000 0.858 172 P CB -0.335 31.376 31.700 0.019 0.000 0.789 173 A N -1.355 121.516 122.820 0.085 0.000 1.930 173 A HA -0.191 4.128 4.320 -0.000 0.000 0.217 173 A C 2.077 179.747 177.584 0.142 0.000 1.175 173 A CA 1.200 53.306 52.037 0.114 0.000 0.627 173 A CB -1.791 17.320 19.000 0.186 0.000 0.815 173 A HN 0.140 nan 8.150 nan 0.000 0.443 174 F N 1.017 120.983 119.950 0.026 0.000 2.069 174 F HA -0.171 4.356 4.527 -0.000 0.000 0.298 174 F C 2.056 177.881 175.800 0.041 0.000 1.113 174 F CA 2.193 60.211 58.000 0.030 0.000 1.214 174 F CB -0.392 38.608 39.000 -0.000 0.000 0.978 174 F HN 0.136 nan 8.300 nan 0.000 0.474 175 K N 0.260 120.554 120.400 -0.177 0.000 2.063 175 K HA -0.161 4.159 4.320 -0.000 0.000 0.208 175 K C 2.145 178.646 176.600 -0.165 0.000 1.048 175 K CA 1.843 57.976 56.287 -0.256 0.000 0.928 175 K CB -0.451 32.019 32.500 -0.050 0.000 0.713 175 K HN 0.357 nan 8.250 nan 0.000 0.442 176 L N 0.224 121.416 121.223 -0.051 0.000 2.083 176 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 176 L C 2.523 179.448 176.870 0.092 0.000 1.083 176 L CA 1.098 55.964 54.840 0.043 0.000 0.752 176 L CB -0.474 41.598 42.059 0.022 0.000 0.899 176 L HN 0.222 nan 8.230 nan 0.000 0.433 177 A N -0.175 122.652 122.820 0.012 0.000 1.872 177 A HA -0.184 4.136 4.320 -0.000 0.000 0.214 177 A C 2.442 179.975 177.584 -0.086 0.000 1.187 177 A CA 1.301 53.354 52.037 0.026 0.000 0.614 177 A CB -0.462 18.567 19.000 0.049 0.000 0.826 177 A HN 0.292 nan 8.150 nan 0.000 0.442 178 R N -0.302 120.030 120.500 -0.279 0.000 2.070 178 R HA -0.148 4.192 4.340 -0.000 0.000 0.233 178 R C 0.917 177.116 176.300 -0.168 0.000 1.137 178 R CA 1.939 57.852 56.100 -0.312 0.000 0.945 178 R CB -0.238 29.670 30.300 -0.653 0.000 0.845 178 R HN 0.433 nan 8.270 nan 0.000 0.430 179 D N -0.816 119.501 120.400 -0.140 0.000 2.333 179 D HA 0.142 4.781 4.640 -0.000 0.000 0.208 179 D C 0.788 177.071 176.300 -0.028 0.000 0.984 179 D CA 1.045 55.003 54.000 -0.070 0.000 0.873 179 D CB 0.439 41.207 40.800 -0.054 0.000 0.935 179 D HN 0.492 nan 8.370 nan 0.000 0.521 180 G N 0.907 109.714 108.800 0.011 0.000 2.781 180 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.683 180 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.683 180 G C -0.485 174.493 174.900 0.129 0.000 1.390 180 G CA -0.393 44.715 45.100 0.014 0.000 0.850 180 G HN 0.279 nan 8.290 nan 0.000 0.557 181 F N -1.718 118.228 119.950 -0.008 0.000 2.664 181 F HA 0.818 5.345 4.527 -0.000 0.000 0.317 181 F C -0.194 175.611 175.800 0.010 0.000 1.108 181 F CA -2.062 55.940 58.000 0.004 0.000 0.957 181 F CB 1.047 40.058 39.000 0.017 0.000 1.365 181 F HN 0.517 nan 8.300 nan 0.000 0.475 182 I N 3.172 123.824 120.570 0.137 0.000 2.416 182 I HA 0.189 4.359 4.170 -0.000 0.000 0.288 182 I C 0.133 176.312 176.117 0.103 0.000 1.051 182 I CA -0.677 60.648 61.300 0.042 0.000 1.375 182 I CB 0.934 38.976 38.000 0.071 0.000 1.407 182 I HN 0.427 nan 8.210 nan 0.000 0.516 183 V N 8.149 128.050 119.914 -0.023 0.000 2.485 183 V HA -0.009 4.111 4.120 -0.000 0.000 0.287 183 V C 0.675 176.820 176.094 0.085 0.000 1.022 183 V CA -0.344 61.982 62.300 0.044 0.000 1.067 183 V CB 0.102 31.908 31.823 -0.028 0.000 0.967 183 V HN 0.913 nan 8.190 nan 0.000 0.479 184 N N 3.573 122.355 118.700 0.136 0.000 2.566 184 N HA 0.218 4.958 4.740 -0.000 0.000 0.299 184 N C 0.660 176.217 175.510 0.079 0.000 1.277 184 N CA -0.690 52.420 53.050 0.100 0.000 0.965 184 N CB 0.343 38.897 38.487 0.111 0.000 1.142 184 N HN 0.423 nan 8.380 nan 0.000 0.596 185 D N -0.609 119.830 120.400 0.065 0.000 2.097 185 D HA -0.162 4.478 4.640 -0.000 0.000 0.195 185 D C 1.711 178.053 176.300 0.070 0.000 0.989 185 D CA 1.970 56.002 54.000 0.054 0.000 0.827 185 D CB -0.387 40.440 40.800 0.045 0.000 0.966 185 D HN 0.655 nan 8.370 nan 0.000 0.456 186 A N 1.312 124.185 122.820 0.088 0.000 1.851 186 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 186 A C 2.200 179.858 177.584 0.124 0.000 1.195 186 A CA 1.246 53.350 52.037 0.111 0.000 0.622 186 A CB -0.872 18.206 19.000 0.129 0.000 0.831 186 A HN 0.222 nan 8.150 nan 0.000 0.444 187 L N -0.362 120.947 121.223 0.142 0.000 2.046 187 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 187 L C 2.723 179.649 176.870 0.094 0.000 1.077 187 L CA 2.193 57.117 54.840 0.140 0.000 0.747 187 L CB -1.001 41.183 42.059 0.208 0.000 0.896 187 L HN 0.378 nan 8.230 nan 0.000 0.432 188 A N -0.629 122.232 122.820 0.069 0.000 1.883 188 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 188 A C 1.999 179.596 177.584 0.021 0.000 1.186 188 A CA 2.030 54.081 52.037 0.023 0.000 0.624 188 A CB -0.914 18.091 19.000 0.008 0.000 0.822 188 A HN 0.540 nan 8.150 nan 0.000 0.444 189 D N 0.211 120.636 120.400 0.043 0.000 2.117 189 D HA -0.120 4.520 4.640 -0.000 0.000 0.197 189 D C 1.380 177.724 176.300 0.074 0.000 0.987 189 D CA 1.414 55.440 54.000 0.044 0.000 0.829 189 D CB -0.446 40.388 40.800 0.057 0.000 0.961 189 D HN 0.413 nan 8.370 nan 0.000 0.460 190 D N 0.306 120.780 120.400 0.124 0.000 2.117 190 D HA -0.061 4.579 4.640 -0.000 0.000 0.198 190 D C 2.418 178.819 176.300 0.168 0.000 0.982 190 D CA 0.258 54.385 54.000 0.212 0.000 0.828 190 D CB -0.239 40.656 40.800 0.158 0.000 0.967 190 D HN 0.216 nan 8.370 nan 0.000 0.464 191 L N 0.607 121.892 121.223 0.103 0.000 2.042 191 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 191 L C 2.505 179.449 176.870 0.123 0.000 1.076 191 L CA 1.224 56.133 54.840 0.114 0.000 0.749 191 L CB -0.230 41.852 42.059 0.038 0.000 0.893 191 L HN -0.017 nan 8.230 nan 0.000 0.432 192 K N -0.956 119.462 120.400 0.029 0.000 2.076 192 K HA -0.104 4.216 4.320 -0.000 0.000 0.204 192 K C 1.991 178.602 176.600 0.017 0.000 1.051 192 K CA 1.491 57.785 56.287 0.012 0.000 0.949 192 K CB 0.126 32.601 32.500 -0.042 0.000 0.726 192 K HN 0.181 nan 8.250 nan 0.000 0.443 193 T N -0.448 114.072 114.554 -0.056 0.000 2.735 193 T HA -0.050 4.300 4.350 -0.000 0.000 0.256 193 T C 1.413 175.904 174.700 -0.348 0.000 1.042 193 T CA 1.234 63.178 62.100 -0.260 0.000 1.147 193 T CB -0.242 68.354 68.868 -0.453 0.000 0.865 193 T HN 0.238 nan 8.240 nan 0.000 0.421 194 Y N 0.554 120.879 120.300 0.042 0.000 2.441 194 Y HA 0.320 4.870 4.550 -0.000 0.000 0.288 194 Y C 2.765 178.688 175.900 0.039 0.000 1.118 194 Y CA 0.120 58.234 58.100 0.023 0.000 1.215 194 Y CB -0.638 37.817 38.460 -0.007 0.000 1.118 194 Y HN 0.239 nan 8.280 nan 0.000 0.547 195 G N -0.376 108.562 108.800 0.231 0.000 2.442 195 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.219 195 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.219 195 G C 1.800 176.833 174.900 0.221 0.000 1.141 195 G CA 1.347 46.585 45.100 0.231 0.000 0.763 195 G HN 0.324 nan 8.290 nan 0.000 0.554 196 S N 0.674 116.589 115.700 0.358 0.000 2.383 196 S HA -0.127 4.343 4.470 -0.000 0.000 0.229 196 S C 2.101 176.697 174.600 -0.008 0.000 1.030 196 S CA 1.484 59.845 58.200 0.269 0.000 1.002 196 S CB -0.238 63.132 63.200 0.283 0.000 0.829 196 S HN 0.633 nan 8.310 nan 0.000 0.467 197 E N 0.245 120.454 120.200 0.014 0.000 2.268 197 E HA -0.090 4.260 4.350 -0.000 0.000 0.195 197 E C 1.822 178.388 176.600 -0.057 0.000 0.995 197 E CA 1.439 57.829 56.400 -0.018 0.000 0.836 197 E CB 0.011 29.723 29.700 0.019 0.000 0.763 197 E HN 0.638 nan 8.360 nan 0.000 0.491 198 V N -3.825 116.042 119.914 -0.078 0.000 3.177 198 V HA 0.046 4.166 4.120 -0.000 0.000 0.220 198 V C 1.914 177.941 176.094 -0.113 0.000 1.395 198 V CA -0.244 62.015 62.300 -0.068 0.000 1.317 198 V CB -0.518 31.313 31.823 0.015 0.000 1.148 198 V HN 0.047 nan 8.190 nan 0.000 0.499 199 L N 1.727 122.854 121.223 -0.161 0.000 2.051 199 L HA -0.058 4.282 4.340 -0.000 0.000 0.214 199 L C -0.021 176.644 176.870 -0.341 0.000 1.076 199 L CA 2.549 57.290 54.840 -0.164 0.000 0.758 199 L CB -1.827 40.178 42.059 -0.089 0.000 0.890 199 L HN 0.396 nan 8.230 nan 0.000 0.433 200 P HA -0.081 nan 4.420 nan 0.000 0.245 200 P C 0.408 177.459 177.300 -0.414 0.000 1.212 200 P CA 1.042 63.706 63.100 -0.727 0.000 0.774 200 P CB -0.245 30.756 31.700 -1.166 0.000 0.999 201 N N -1.250 117.202 118.700 -0.412 0.000 2.461 201 N HA -0.027 4.713 4.740 -0.000 0.000 0.188 201 N C -0.246 174.856 175.510 -0.680 0.000 1.134 201 N CA 0.066 52.812 53.050 -0.506 0.000 0.878 201 N CB -0.209 37.938 38.487 -0.567 0.000 0.972 201 N HN 0.407 nan 8.380 nan 0.000 0.456 202 H N -0.936 118.088 119.070 -0.077 0.000 2.609 202 H HA 0.153 4.709 4.556 -0.000 0.000 0.344 202 H C 0.251 175.572 175.328 -0.012 0.000 1.040 202 H CA -0.658 55.378 56.048 -0.020 0.000 1.216 202 H CB 2.111 31.872 29.762 -0.002 0.000 1.529 202 H HN -0.169 nan 8.280 nan 0.000 0.519 203 E N 2.134 122.390 120.200 0.094 0.000 2.049 203 E HA -0.235 4.115 4.350 -0.000 0.000 0.198 203 E C 1.406 178.052 176.600 0.077 0.000 1.007 203 E CA 2.310 58.746 56.400 0.060 0.000 0.809 203 E CB 0.076 29.804 29.700 0.047 0.000 0.749 203 E HN 0.799 nan 8.360 nan 0.000 0.450 204 N N -0.532 118.225 118.700 0.095 0.000 2.166 204 N HA -0.106 4.634 4.740 -0.000 0.000 0.186 204 N C 1.712 177.288 175.510 0.111 0.000 1.019 204 N CA 1.621 54.720 53.050 0.083 0.000 0.856 204 N CB -0.676 37.855 38.487 0.074 0.000 0.993 204 N HN -0.031 nan 8.380 nan 0.000 0.426 205 S N 0.392 116.191 115.700 0.165 0.000 2.355 205 S HA -0.100 4.370 4.470 -0.000 0.000 0.222 205 S C 1.656 176.416 174.600 0.267 0.000 1.031 205 S CA 0.894 59.255 58.200 0.268 0.000 0.993 205 S CB -0.312 63.037 63.200 0.248 0.000 0.859 205 S HN 0.428 nan 8.310 nan 0.000 0.453 206 K N 1.560 122.047 120.400 0.145 0.000 2.063 206 K HA -0.117 4.203 4.320 -0.000 0.000 0.208 206 K C 2.161 178.859 176.600 0.164 0.000 1.048 206 K CA 1.333 57.695 56.287 0.124 0.000 0.928 206 K CB -0.388 32.116 32.500 0.006 0.000 0.713 206 K HN 0.309 nan 8.250 nan 0.000 0.442 207 A N 0.841 123.717 122.820 0.092 0.000 2.024 207 A HA -0.119 4.201 4.320 -0.000 0.000 0.220 207 A C 1.962 179.541 177.584 -0.008 0.000 1.164 207 A CA 1.373 53.438 52.037 0.047 0.000 0.643 207 A CB -0.318 18.697 19.000 0.024 0.000 0.806 207 A HN 0.369 nan 8.150 nan 0.000 0.451 208 I N -3.120 117.411 120.570 -0.065 0.000 2.729 208 I HA 0.028 4.198 4.170 -0.000 0.000 0.256 208 I C 1.628 177.489 176.117 -0.427 0.000 1.115 208 I CA 0.687 61.787 61.300 -0.333 0.000 1.446 208 I CB -0.021 37.602 38.000 -0.627 0.000 1.176 208 I HN 0.260 nan 8.210 nan 0.000 0.446 209 F N -0.901 119.152 119.950 0.173 0.000 2.714 209 F HA 0.128 4.655 4.527 -0.000 0.000 0.294 209 F C 0.950 176.936 175.800 0.310 0.000 1.120 209 F CA -0.108 58.027 58.000 0.225 0.000 1.398 209 F CB 0.041 39.217 39.000 0.294 0.000 1.120 209 F HN -0.012 nan 8.300 nan 0.000 0.589 210 W N 1.739 123.115 121.300 0.126 0.000 2.512 210 W HA 0.444 5.104 4.660 -0.000 0.000 0.335 210 W C -0.313 176.220 176.519 0.023 0.000 1.088 210 W CA -0.936 56.454 57.345 0.074 0.000 1.236 210 W CB 1.524 31.027 29.460 0.071 0.000 1.307 210 W HN -0.388 nan 8.180 nan 0.000 0.567 211 K N 3.229 123.634 120.400 0.009 0.000 2.613 211 K HA 0.107 4.427 4.320 -0.000 0.000 0.248 211 K C -0.508 176.084 176.600 -0.013 0.000 0.959 211 K CA -0.186 56.099 56.287 -0.002 0.000 0.855 211 K CB 0.838 33.302 32.500 -0.060 0.000 1.143 211 K HN 0.624 nan 8.250 nan 0.000 0.437 212 E N 2.407 122.635 120.200 0.045 0.000 2.340 212 E HA -0.237 4.113 4.350 -0.000 0.000 0.240 212 E C 0.400 177.042 176.600 0.069 0.000 1.154 212 E CA 0.605 57.030 56.400 0.042 0.000 0.717 212 E CB -1.524 28.178 29.700 0.003 0.000 1.250 212 E HN 1.170 nan 8.360 nan 0.000 0.386 213 G N -0.300 108.606 108.800 0.176 0.000 2.168 213 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.263 213 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.263 213 G C -0.029 175.007 174.900 0.227 0.000 0.977 213 G CA 0.936 46.196 45.100 0.266 0.000 0.659 213 G HN 0.331 nan 8.290 nan 0.000 0.533 214 E N 0.226 120.372 120.200 -0.090 0.000 2.317 214 E HA 0.407 4.757 4.350 -0.000 0.000 0.270 214 E C -2.731 173.201 176.600 -1.114 0.000 0.885 214 E CA -1.815 54.316 56.400 -0.449 0.000 0.760 214 E CB 2.934 32.491 29.700 -0.239 0.000 1.227 214 E HN 0.151 nan 8.360 nan 0.000 0.434 215 P HA 0.150 nan 4.420 nan 0.000 0.274 215 P C 0.214 177.152 177.300 -0.604 0.000 1.231 215 P CA -0.311 61.884 63.100 -1.508 0.000 0.790 215 P CB 0.899 31.761 31.700 -1.396 0.000 0.951 216 L N 1.852 122.868 121.223 -0.344 0.000 2.506 216 L HA 0.043 4.383 4.340 -0.000 0.000 0.281 216 L C 1.371 178.141 176.870 -0.167 0.000 1.228 216 L CA 0.474 55.201 54.840 -0.189 0.000 0.850 216 L CB -0.218 41.779 42.059 -0.104 0.000 1.110 216 L HN 0.316 nan 8.230 nan 0.000 0.496 217 K N 2.260 122.584 120.400 -0.126 0.000 2.280 217 K HA 0.334 4.653 4.320 -0.000 0.000 0.234 217 K C -0.604 175.962 176.600 -0.056 0.000 1.028 217 K CA -1.075 55.157 56.287 -0.092 0.000 0.882 217 K CB 0.897 33.345 32.500 -0.087 0.000 1.194 217 K HN 0.331 nan 8.250 nan 0.000 0.458 218 K N 0.182 120.562 120.400 -0.034 0.000 2.451 218 K HA 0.078 4.398 4.320 -0.000 0.000 0.280 218 K C 0.660 177.249 176.600 -0.018 0.000 1.020 218 K CA 1.372 57.653 56.287 -0.011 0.000 1.008 218 K CB -0.183 32.317 32.500 0.000 0.000 0.917 218 K HN 0.763 nan 8.250 nan 0.000 0.478 219 G N 3.240 112.033 108.800 -0.012 0.000 2.279 219 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.223 219 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.223 219 G C -0.183 174.696 174.900 -0.035 0.000 1.015 219 G CA 0.100 45.190 45.100 -0.017 0.000 0.621 219 G HN 0.701 nan 8.290 nan 0.000 0.506 220 D N 1.044 121.411 120.400 -0.054 0.000 2.363 220 D HA 0.526 5.166 4.640 -0.000 0.000 0.240 220 D C 0.424 176.659 176.300 -0.108 0.000 1.236 220 D CA 0.762 54.715 54.000 -0.078 0.000 0.927 220 D CB 0.635 41.380 40.800 -0.092 0.000 1.150 220 D HN 0.107 nan 8.370 nan 0.000 0.458 221 T N 1.158 115.635 114.554 -0.128 0.000 2.770 221 T HA 0.371 4.720 4.350 -0.000 0.000 0.283 221 T C -0.448 174.101 174.700 -0.252 0.000 0.988 221 T CA -0.591 61.401 62.100 -0.180 0.000 0.957 221 T CB 0.732 69.528 68.868 -0.120 0.000 0.930 221 T HN 0.090 nan 8.240 nan 0.000 0.443 222 L N 6.227 127.182 121.223 -0.447 0.000 2.262 222 L HA 0.621 4.961 4.340 -0.000 0.000 0.288 222 L C -0.875 175.765 176.870 -0.384 0.000 1.035 222 L CA -0.339 54.226 54.840 -0.460 0.000 0.820 222 L CB 0.504 42.183 42.059 -0.633 0.000 1.204 222 L HN 0.390 nan 8.230 nan 0.000 0.424 223 V N 5.406 125.185 119.914 -0.225 0.000 2.483 223 V HA 0.473 4.593 4.120 -0.000 0.000 0.295 223 V C -0.177 175.840 176.094 -0.128 0.000 1.035 223 V CA -0.508 61.709 62.300 -0.139 0.000 0.896 223 V CB 1.602 33.361 31.823 -0.108 0.000 0.986 223 V HN 0.746 nan 8.190 nan 0.000 0.447 224 Q N 2.626 122.385 119.800 -0.067 0.000 2.907 224 Q HA 0.460 4.800 4.340 -0.000 0.000 0.262 224 Q C 0.875 176.864 176.000 -0.019 0.000 0.997 224 Q CA -0.240 55.529 55.803 -0.056 0.000 0.797 224 Q CB 1.537 30.280 28.738 0.008 0.000 1.228 224 Q HN 0.928 nan 8.270 nan 0.000 0.466 225 A N 1.655 124.456 122.820 -0.032 0.000 1.902 225 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 225 A C 1.643 179.246 177.584 0.032 0.000 1.181 225 A CA 1.608 53.642 52.037 -0.006 0.000 0.623 225 A CB -0.102 18.890 19.000 -0.013 0.000 0.818 225 A HN 0.475 nan 8.150 nan 0.000 0.443 226 N N -0.255 118.459 118.700 0.023 0.000 2.084 226 N HA -0.127 4.612 4.740 -0.000 0.000 0.190 226 N C 1.572 177.129 175.510 0.078 0.000 1.030 226 N CA 1.448 54.524 53.050 0.044 0.000 0.849 226 N CB -0.587 37.917 38.487 0.028 0.000 1.012 226 N HN 0.394 nan 8.380 nan 0.000 0.423 227 L N 1.091 122.364 121.223 0.084 0.000 2.083 227 L HA -0.005 4.335 4.340 -0.000 0.000 0.209 227 L C 2.008 178.979 176.870 0.168 0.000 1.083 227 L CA 1.479 56.396 54.840 0.129 0.000 0.752 227 L CB -1.007 41.135 42.059 0.138 0.000 0.899 227 L HN 0.139 nan 8.230 nan 0.000 0.433 228 A N -0.555 122.356 122.820 0.150 0.000 1.908 228 A HA -0.267 4.052 4.320 -0.000 0.000 0.218 228 A C 2.347 180.144 177.584 0.355 0.000 1.181 228 A CA 1.989 54.168 52.037 0.237 0.000 0.627 228 A CB -0.611 18.419 19.000 0.050 0.000 0.818 228 A HN 0.430 nan 8.150 nan 0.000 0.445 229 K N 0.443 120.972 120.400 0.215 0.000 2.026 229 K HA -0.052 4.268 4.320 -0.000 0.000 0.208 229 K C 2.152 178.828 176.600 0.127 0.000 1.048 229 K CA 2.041 58.428 56.287 0.165 0.000 0.929 229 K CB -0.640 31.921 32.500 0.101 0.000 0.713 229 K HN 0.346 nan 8.250 nan 0.000 0.439 230 S N 0.711 116.488 115.700 0.129 0.000 2.370 230 S HA -0.099 4.371 4.470 -0.000 0.000 0.226 230 S C 1.831 176.515 174.600 0.140 0.000 1.033 230 S CA 1.493 59.767 58.200 0.123 0.000 1.011 230 S CB -0.361 62.924 63.200 0.141 0.000 0.852 230 S HN 0.266 nan 8.310 nan 0.000 0.457 231 L N 1.194 122.528 121.223 0.186 0.000 2.046 231 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 231 L C 2.731 179.604 176.870 0.004 0.000 1.077 231 L CA 1.487 56.426 54.840 0.165 0.000 0.747 231 L CB -0.525 41.703 42.059 0.283 0.000 0.896 231 L HN 0.418 nan 8.230 nan 0.000 0.432 232 E N 0.049 120.218 120.200 -0.053 0.000 2.110 232 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 232 E C 2.273 178.778 176.600 -0.158 0.000 0.988 232 E CA 1.118 57.326 56.400 -0.319 0.000 0.804 232 E CB 0.129 29.629 29.700 -0.334 0.000 0.745 232 E HN 0.337 nan 8.360 nan 0.000 0.458 233 M N 0.299 119.871 119.600 -0.047 0.000 2.200 233 M HA -0.023 4.456 4.480 -0.000 0.000 0.265 233 M C 2.318 178.616 176.300 -0.004 0.000 1.066 233 M CA 0.938 56.226 55.300 -0.020 0.000 1.127 233 M CB -0.538 32.070 32.600 0.014 0.000 1.379 233 M HN 0.221 nan 8.290 nan 0.000 0.420 234 I N 0.241 120.824 120.570 0.023 0.000 2.315 234 I HA -0.218 3.952 4.170 -0.000 0.000 0.248 234 I C 2.541 178.644 176.117 -0.023 0.000 1.117 234 I CA 1.058 62.387 61.300 0.048 0.000 1.404 234 I CB -0.501 37.566 38.000 0.112 0.000 1.071 234 I HN 0.186 nan 8.210 nan 0.000 0.419 235 A N 0.316 123.081 122.820 -0.092 0.000 1.969 235 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 235 A C 2.201 179.726 177.584 -0.098 0.000 1.169 235 A CA 1.552 53.508 52.037 -0.135 0.000 0.635 235 A CB -0.386 18.490 19.000 -0.207 0.000 0.810 235 A HN 0.456 nan 8.150 nan 0.000 0.445 236 E N -0.571 119.577 120.200 -0.086 0.000 2.102 236 E HA -0.056 4.294 4.350 -0.000 0.000 0.190 236 E C 1.453 178.036 176.600 -0.028 0.000 0.971 236 E CA 1.040 57.403 56.400 -0.062 0.000 0.821 236 E CB -0.147 29.513 29.700 -0.067 0.000 0.777 236 E HN 0.754 nan 8.360 nan 0.000 0.460 237 N N -0.010 118.685 118.700 -0.009 0.000 2.392 237 N HA 0.095 4.835 4.740 -0.000 0.000 0.177 237 N C 0.541 176.073 175.510 0.036 0.000 1.066 237 N CA 0.192 53.252 53.050 0.016 0.000 0.895 237 N CB 0.943 39.446 38.487 0.027 0.000 0.988 237 N HN 0.096 nan 8.380 nan 0.000 0.457 238 G N 1.267 110.090 108.800 0.038 0.000 2.685 238 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.387 238 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.387 238 G C -2.084 172.889 174.900 0.122 0.000 1.324 238 G CA -0.504 44.634 45.100 0.063 0.000 0.878 238 G HN -0.039 nan 8.290 nan 0.000 0.527 239 P HA -0.060 nan 4.420 nan 0.000 0.220 239 P C 0.881 178.395 177.300 0.357 0.000 1.144 239 P CA 1.762 65.028 63.100 0.276 0.000 0.800 239 P CB -0.022 31.843 31.700 0.276 0.000 0.772 240 D N 0.216 120.762 120.400 0.244 0.000 2.218 240 D HA -0.159 4.480 4.640 -0.000 0.000 0.204 240 D C 1.954 178.360 176.300 0.178 0.000 0.976 240 D CA 0.996 55.133 54.000 0.229 0.000 0.853 240 D CB -0.425 40.459 40.800 0.141 0.000 0.939 240 D HN 0.252 nan 8.370 nan 0.000 0.481 241 E N 0.115 120.400 120.200 0.142 0.000 2.085 241 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 241 E C 1.818 178.455 176.600 0.061 0.000 0.994 241 E CA 0.917 57.370 56.400 0.088 0.000 0.801 241 E CB -0.519 29.231 29.700 0.083 0.000 0.743 241 E HN 0.337 nan 8.360 nan 0.000 0.453 242 F N -0.947 118.966 119.950 -0.063 0.000 2.187 242 F HA -0.062 4.465 4.527 -0.000 0.000 0.295 242 F C 1.350 176.914 175.800 -0.393 0.000 1.091 242 F CA 1.203 59.047 58.000 -0.259 0.000 1.308 242 F CB -0.062 38.689 39.000 -0.414 0.000 1.030 242 F HN 0.054 nan 8.300 nan 0.000 0.487 243 Y N -0.276 120.168 120.300 0.241 0.000 2.510 243 Y HA 0.163 4.713 4.550 -0.000 0.000 0.273 243 Y C 1.644 177.583 175.900 0.065 0.000 1.119 243 Y CA 0.637 58.837 58.100 0.166 0.000 1.286 243 Y CB 0.030 38.633 38.460 0.240 0.000 1.061 243 Y HN -0.020 nan 8.280 nan 0.000 0.542 244 K N -1.796 118.687 120.400 0.139 0.000 2.567 244 K HA 0.241 4.561 4.320 -0.000 0.000 0.218 244 K C 1.186 177.806 176.600 0.033 0.000 1.440 244 K CA 0.344 56.684 56.287 0.087 0.000 0.995 244 K CB 0.832 33.398 32.500 0.109 0.000 1.186 244 K HN 0.146 nan 8.250 nan 0.000 0.593 245 G N 0.433 109.244 108.800 0.017 0.000 2.582 245 G HA2 0.021 3.981 3.960 -0.000 0.000 0.232 245 G HA3 0.021 3.981 3.960 -0.000 0.000 0.232 245 G C 0.861 175.740 174.900 -0.035 0.000 1.458 245 G CA -0.024 45.076 45.100 -0.001 0.000 1.062 245 G HN -0.091 nan 8.290 nan 0.000 0.566 246 T N 0.381 114.917 114.554 -0.029 0.000 2.699 246 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 246 T C 2.427 177.081 174.700 -0.077 0.000 1.036 246 T CA 1.500 63.576 62.100 -0.039 0.000 1.147 246 T CB -0.307 68.549 68.868 -0.020 0.000 0.862 246 T HN 0.318 nan 8.240 nan 0.000 0.446 247 I N 1.301 121.806 120.570 -0.110 0.000 2.226 247 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 247 I C 2.929 178.858 176.117 -0.313 0.000 1.100 247 I CA 1.134 62.312 61.300 -0.204 0.000 1.374 247 I CB -0.535 37.315 38.000 -0.250 0.000 1.057 247 I HN 0.188 nan 8.210 nan 0.000 0.413 248 A N 0.422 123.055 122.820 -0.310 0.000 1.908 248 A HA -0.278 4.041 4.320 -0.000 0.000 0.218 248 A C 2.227 179.712 177.584 -0.164 0.000 1.181 248 A CA 2.174 54.040 52.037 -0.285 0.000 0.627 248 A CB -0.555 18.349 19.000 -0.160 0.000 0.818 248 A HN 0.416 nan 8.150 nan 0.000 0.445 249 E N 0.126 120.260 120.200 -0.109 0.000 2.072 249 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 249 E C 2.160 178.716 176.600 -0.072 0.000 0.985 249 E CA 1.711 58.070 56.400 -0.068 0.000 0.801 249 E CB -0.360 29.313 29.700 -0.044 0.000 0.750 249 E HN 0.723 nan 8.360 nan 0.000 0.452 250 Q N -0.257 119.491 119.800 -0.087 0.000 2.135 250 Q HA -0.153 4.186 4.340 -0.000 0.000 0.204 250 Q C 2.303 178.258 176.000 -0.075 0.000 0.981 250 Q CA 1.565 57.327 55.803 -0.070 0.000 0.856 250 Q CB -0.175 28.522 28.738 -0.067 0.000 0.902 250 Q HN 0.401 nan 8.270 nan 0.000 0.425 251 I N 0.449 120.944 120.570 -0.125 0.000 2.233 251 I HA -0.227 3.943 4.170 -0.000 0.000 0.243 251 I C 2.444 178.528 176.117 -0.055 0.000 1.093 251 I CA 0.843 62.080 61.300 -0.106 0.000 1.380 251 I CB -0.391 37.496 38.000 -0.188 0.000 1.067 251 I HN 0.141 nan 8.210 nan 0.000 0.413 252 A N 0.078 122.862 122.820 -0.060 0.000 1.902 252 A HA -0.294 4.026 4.320 -0.000 0.000 0.217 252 A C 2.323 179.893 177.584 -0.023 0.000 1.181 252 A CA 1.919 53.937 52.037 -0.031 0.000 0.623 252 A CB -0.731 18.251 19.000 -0.029 0.000 0.818 252 A HN 0.518 nan 8.150 nan 0.000 0.443 253 Q N -0.720 119.063 119.800 -0.028 0.000 2.050 253 Q HA -0.255 4.084 4.340 -0.000 0.000 0.202 253 Q C 2.065 178.051 176.000 -0.023 0.000 0.980 253 Q CA 1.952 57.741 55.803 -0.024 0.000 0.840 253 Q CB -0.171 28.553 28.738 -0.023 0.000 0.898 253 Q HN 0.664 nan 8.270 nan 0.000 0.424 254 E N -0.070 120.124 120.200 -0.009 0.000 2.085 254 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 254 E C 1.864 178.459 176.600 -0.008 0.000 0.994 254 E CA 1.654 58.063 56.400 0.015 0.000 0.801 254 E CB -0.056 29.681 29.700 0.061 0.000 0.743 254 E HN 0.328 nan 8.360 nan 0.000 0.453 255 M N 0.109 119.720 119.600 0.019 0.000 2.077 255 M HA -0.123 4.357 4.480 -0.000 0.000 0.261 255 M C 2.455 178.720 176.300 -0.058 0.000 1.070 255 M CA 1.821 57.129 55.300 0.014 0.000 1.125 255 M CB -1.295 31.327 32.600 0.036 0.000 1.339 255 M HN 0.303 nan 8.290 nan 0.000 0.409 256 Q N 0.584 120.359 119.800 -0.042 0.000 2.061 256 Q HA -0.232 4.108 4.340 -0.000 0.000 0.204 256 Q C 2.125 178.082 176.000 -0.072 0.000 0.984 256 Q CA 1.989 57.765 55.803 -0.046 0.000 0.846 256 Q CB -0.082 28.638 28.738 -0.030 0.000 0.902 256 Q HN 0.413 nan 8.270 nan 0.000 0.421 257 K N -0.244 120.107 120.400 -0.081 0.000 2.103 257 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 257 K C 0.586 177.100 176.600 -0.145 0.000 1.048 257 K CA 1.493 57.726 56.287 -0.090 0.000 0.930 257 K CB 0.125 32.582 32.500 -0.071 0.000 0.716 257 K HN 0.283 nan 8.250 nan 0.000 0.444 258 N N -0.417 118.121 118.700 -0.269 0.000 2.328 258 N HA 0.083 4.822 4.740 -0.000 0.000 0.247 258 N C -0.205 175.122 175.510 -0.304 0.000 1.165 258 N CA 0.684 53.492 53.050 -0.404 0.000 0.873 258 N CB 1.455 39.370 38.487 -0.953 0.000 1.125 258 N HN 0.367 nan 8.380 nan 0.000 0.513 259 G N 0.491 109.197 108.800 -0.156 0.000 2.225 259 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.264 259 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.264 259 G C 0.391 175.281 174.900 -0.017 0.000 1.060 259 G CA 0.134 45.193 45.100 -0.068 0.000 0.833 259 G HN 0.537 nan 8.290 nan 0.000 0.498 260 G N -1.688 107.104 108.800 -0.013 0.000 2.521 260 G HA2 0.684 4.644 3.960 -0.000 0.000 0.323 260 G HA3 0.684 4.644 3.960 -0.000 0.000 0.323 260 G C 0.889 175.809 174.900 0.032 0.000 1.211 260 G CA -0.673 44.468 45.100 0.069 0.000 0.979 260 G HN 0.511 nan 8.290 nan 0.000 0.490 261 L N -0.352 120.895 121.223 0.040 0.000 2.672 261 L HA 0.339 4.679 4.340 -0.000 0.000 0.236 261 L C 0.675 177.564 176.870 0.030 0.000 1.092 261 L CA -0.085 54.768 54.840 0.022 0.000 0.887 261 L CB 0.037 42.101 42.059 0.009 0.000 1.168 261 L HN 0.288 nan 8.230 nan 0.000 0.502 262 I N 1.752 122.347 120.570 0.042 0.000 2.668 262 I HA -0.022 4.147 4.170 -0.000 0.000 0.285 262 I C 0.779 176.914 176.117 0.029 0.000 1.168 262 I CA 0.505 61.831 61.300 0.043 0.000 1.424 262 I CB 0.557 38.582 38.000 0.042 0.000 1.377 262 I HN 0.208 nan 8.210 nan 0.000 0.560 263 T N 2.064 116.640 114.554 0.036 0.000 2.926 263 T HA 0.376 4.726 4.350 -0.000 0.000 0.289 263 T C 0.771 175.492 174.700 0.035 0.000 1.054 263 T CA -1.028 61.088 62.100 0.027 0.000 1.015 263 T CB 1.906 70.791 68.868 0.029 0.000 1.167 263 T HN 0.473 nan 8.240 nan 0.000 0.526 264 K N 0.090 120.504 120.400 0.024 0.000 2.147 264 K HA -0.131 4.188 4.320 -0.000 0.000 0.205 264 K C 2.088 178.727 176.600 0.065 0.000 1.049 264 K CA 1.499 57.806 56.287 0.033 0.000 0.936 264 K CB -0.114 32.398 32.500 0.020 0.000 0.722 264 K HN 0.789 nan 8.250 nan 0.000 0.446 265 E N 1.115 121.350 120.200 0.058 0.000 2.077 265 E HA -0.192 4.157 4.350 -0.000 0.000 0.193 265 E C 1.396 178.053 176.600 0.095 0.000 0.989 265 E CA 1.329 57.770 56.400 0.067 0.000 0.800 265 E CB 0.193 29.924 29.700 0.051 0.000 0.746 265 E HN 0.195 nan 8.360 nan 0.000 0.452 266 D N 0.309 120.769 120.400 0.101 0.000 2.117 266 D HA -0.159 4.481 4.640 -0.000 0.000 0.197 266 D C 2.091 178.517 176.300 0.211 0.000 0.987 266 D CA 0.873 54.956 54.000 0.139 0.000 0.829 266 D CB -0.118 40.757 40.800 0.125 0.000 0.961 266 D HN 0.277 nan 8.370 nan 0.000 0.460 267 L N 0.718 122.066 121.223 0.210 0.000 2.093 267 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 267 L C 2.510 179.604 176.870 0.374 0.000 1.085 267 L CA 0.978 56.022 54.840 0.339 0.000 0.755 267 L CB -0.284 41.899 42.059 0.206 0.000 0.904 267 L HN -0.042 nan 8.230 nan 0.000 0.435 268 A N -0.317 122.637 122.820 0.223 0.000 2.014 268 A HA 0.031 4.351 4.320 -0.000 0.000 0.218 268 A C 2.353 180.010 177.584 0.121 0.000 1.163 268 A CA 1.305 53.443 52.037 0.169 0.000 0.652 268 A CB -0.438 18.630 19.000 0.112 0.000 0.808 268 A HN 0.359 nan 8.150 nan 0.000 0.449 269 A N -1.989 120.907 122.820 0.127 0.000 2.218 269 A HA 0.273 4.593 4.320 -0.000 0.000 0.209 269 A C 0.761 178.377 177.584 0.053 0.000 1.168 269 A CA -0.155 51.929 52.037 0.078 0.000 0.804 269 A CB -0.443 18.606 19.000 0.081 0.000 0.834 269 A HN 0.515 nan 8.150 nan 0.000 0.482 270 Y N 2.027 122.344 120.300 0.028 0.000 2.397 270 Y HA 0.366 4.916 4.550 -0.000 0.000 0.335 270 Y C 0.381 176.202 175.900 -0.132 0.000 1.213 270 Y CA 0.243 58.335 58.100 -0.015 0.000 1.391 270 Y CB 0.539 39.024 38.460 0.041 0.000 1.293 270 Y HN 0.347 nan 8.280 nan 0.000 0.557 271 K N 4.067 123.822 120.400 -1.076 0.000 2.542 271 K HA 0.798 5.118 4.320 -0.000 0.000 0.259 271 K C -1.858 174.370 176.600 -0.620 0.000 0.932 271 K CA -0.992 54.945 56.287 -0.584 0.000 0.820 271 K CB 1.347 33.669 32.500 -0.296 0.000 1.345 271 K HN 0.655 nan 8.250 nan 0.000 0.432 272 A N 1.993 124.721 122.820 -0.154 0.000 2.322 272 A HA 0.555 4.874 4.320 -0.000 0.000 0.269 272 A C -0.426 177.160 177.584 0.003 0.000 1.094 272 A CA -0.616 51.456 52.037 0.059 0.000 0.807 272 A CB 0.739 19.843 19.000 0.174 0.000 1.047 272 A HN 0.440 nan 8.150 nan 0.000 0.487 273 V N 2.132 122.082 119.914 0.059 0.000 2.444 273 V HA 0.282 4.402 4.120 -0.000 0.000 0.294 273 V C 0.066 176.201 176.094 0.068 0.000 1.022 273 V CA -0.571 61.749 62.300 0.033 0.000 0.850 273 V CB 1.357 33.184 31.823 0.007 0.000 0.992 273 V HN 1.023 nan 8.190 nan 0.000 0.426 274 E N 4.853 125.087 120.200 0.057 0.000 2.290 274 E HA 0.403 4.753 4.350 -0.000 0.000 0.277 274 E C -0.288 176.326 176.600 0.024 0.000 1.035 274 E CA -0.267 56.175 56.400 0.069 0.000 0.873 274 E CB 0.674 30.426 29.700 0.086 0.000 1.029 274 E HN 0.561 nan 8.360 nan 0.000 0.419 275 R N 2.149 122.649 120.500 0.001 0.000 2.892 275 R HA 0.379 4.719 4.340 -0.000 0.000 0.265 275 R C -0.740 175.515 176.300 -0.076 0.000 1.025 275 R CA -0.922 55.147 56.100 -0.052 0.000 0.982 275 R CB 1.849 32.096 30.300 -0.088 0.000 1.185 275 R HN 0.387 nan 8.270 nan 0.000 0.484 276 T N 3.809 118.291 114.554 -0.119 0.000 2.761 276 T HA 0.201 4.551 4.350 -0.000 0.000 0.296 276 T C -2.277 172.318 174.700 -0.176 0.000 0.934 276 T CA -1.176 60.845 62.100 -0.131 0.000 1.091 276 T CB 0.889 69.662 68.868 -0.159 0.000 0.896 276 T HN 0.233 nan 8.240 nan 0.000 0.515 277 P HA 0.144 nan 4.420 nan 0.000 0.269 277 P C -0.151 177.082 177.300 -0.111 0.000 1.215 277 P CA -0.562 62.490 63.100 -0.079 0.000 0.780 277 P CB 0.402 32.127 31.700 0.041 0.000 0.898 278 I N 1.634 122.119 120.570 -0.142 0.000 2.496 278 I HA 0.129 4.299 4.170 -0.000 0.000 0.285 278 I C 0.746 176.809 176.117 -0.090 0.000 1.080 278 I CA 0.470 61.672 61.300 -0.164 0.000 1.404 278 I CB 0.142 38.050 38.000 -0.153 0.000 1.403 278 I HN 0.402 nan 8.210 nan 0.000 0.539 279 S N 4.257 119.888 115.700 -0.116 0.000 2.538 279 S HA 0.914 5.384 4.470 -0.000 0.000 0.288 279 S C -0.395 174.099 174.600 -0.176 0.000 1.108 279 S CA -0.698 57.341 58.200 -0.268 0.000 0.971 279 S CB 2.273 65.242 63.200 -0.384 0.000 1.041 279 S HN 0.879 nan 8.310 nan 0.000 0.483 280 G N 0.458 109.136 108.800 -0.204 0.000 2.672 280 G HA2 0.585 4.545 3.960 -0.000 0.000 0.292 280 G HA3 0.585 4.545 3.960 -0.000 0.000 0.292 280 G C -2.072 172.788 174.900 -0.067 0.000 1.375 280 G CA -0.605 44.446 45.100 -0.082 0.000 0.890 280 G HN 0.718 nan 8.290 nan 0.000 0.476 281 D N -0.532 119.872 120.400 0.007 0.000 2.308 281 D HA 0.398 5.038 4.640 -0.000 0.000 0.242 281 D C -1.705 174.679 176.300 0.139 0.000 1.059 281 D CA -0.423 53.605 54.000 0.047 0.000 0.830 281 D CB 1.986 42.794 40.800 0.014 0.000 1.161 281 D HN 0.264 nan 8.370 nan 0.000 0.494 282 Y N 4.273 124.604 120.300 0.051 0.000 2.363 282 Y HA 0.254 4.804 4.550 -0.000 0.000 0.325 282 Y C 0.294 176.282 175.900 0.147 0.000 0.984 282 Y CA -0.651 57.491 58.100 0.069 0.000 1.248 282 Y CB 0.649 39.136 38.460 0.044 0.000 1.116 282 Y HN 0.504 nan 8.280 nan 0.000 0.470 283 R N 4.272 124.609 120.500 -0.273 0.000 3.405 283 R HA -0.264 4.075 4.340 -0.000 0.000 0.258 283 R C 1.017 177.345 176.300 0.047 0.000 1.030 283 R CA 1.126 57.127 56.100 -0.165 0.000 0.691 283 R CB -1.889 28.247 30.300 -0.274 0.000 1.093 283 R HN 1.330 nan 8.270 nan 0.000 0.448 284 G N -1.831 106.977 108.800 0.014 0.000 2.234 284 G HA2 -0.357 3.602 3.960 -0.000 0.000 0.235 284 G HA3 -0.357 3.602 3.960 -0.000 0.000 0.235 284 G C -0.037 174.795 174.900 -0.114 0.000 0.997 284 G CA 0.246 45.303 45.100 -0.071 0.000 0.623 284 G HN 0.379 nan 8.290 nan 0.000 0.514 285 Y N 0.951 121.274 120.300 0.038 0.000 2.310 285 Y HA 0.640 5.190 4.550 -0.000 0.000 0.326 285 Y C 0.658 176.580 175.900 0.037 0.000 1.151 285 Y CA -0.587 57.549 58.100 0.061 0.000 1.195 285 Y CB 1.286 39.810 38.460 0.107 0.000 1.210 285 Y HN 0.102 nan 8.280 nan 0.000 0.483 286 Q N 1.941 121.825 119.800 0.141 0.000 2.303 286 Q HA 0.454 4.794 4.340 -0.000 0.000 0.257 286 Q C -1.143 174.823 176.000 -0.056 0.000 0.941 286 Q CA -0.450 55.337 55.803 -0.027 0.000 0.931 286 Q CB 1.499 30.186 28.738 -0.084 0.000 1.215 286 Q HN 0.427 nan 8.270 nan 0.000 0.437 287 V N 4.254 124.084 119.914 -0.141 0.000 2.370 287 V HA 0.354 4.474 4.120 -0.000 0.000 0.279 287 V C -0.945 174.999 176.094 -0.249 0.000 1.029 287 V CA -0.661 61.582 62.300 -0.095 0.000 0.870 287 V CB 0.272 32.066 31.823 -0.049 0.000 0.984 287 V HN 0.650 nan 8.190 nan 0.000 0.451 288 Y N 2.890 123.189 120.300 -0.002 0.000 2.352 288 Y HA 0.690 5.240 4.550 -0.000 0.000 0.339 288 Y C 0.515 176.387 175.900 -0.047 0.000 0.992 288 Y CA -0.006 58.076 58.100 -0.030 0.000 1.100 288 Y CB 2.209 40.651 38.460 -0.031 0.000 1.192 288 Y HN 0.643 nan 8.280 nan 0.000 0.458 289 S N 1.983 117.721 115.700 0.064 0.000 2.776 289 S HA 0.582 5.052 4.470 -0.000 0.000 0.292 289 S C -1.280 173.272 174.600 -0.080 0.000 1.187 289 S CA -0.810 57.384 58.200 -0.010 0.000 0.834 289 S CB 1.012 64.189 63.200 -0.038 0.000 1.199 289 S HN 0.597 nan 8.310 nan 0.000 0.514 290 M N 3.658 123.173 119.600 -0.143 0.000 2.200 290 M HA 0.440 4.920 4.480 -0.000 0.000 0.355 290 M C -2.311 173.803 176.300 -0.309 0.000 1.283 290 M CA -1.640 53.489 55.300 -0.284 0.000 1.124 290 M CB 0.958 33.287 32.600 -0.451 0.000 1.625 290 M HN 0.373 nan 8.290 nan 0.000 0.463 291 P HA 0.493 nan 4.420 nan 0.000 0.287 291 P C -2.851 174.267 177.300 -0.303 0.000 1.296 291 P CA -1.885 61.032 63.100 -0.305 0.000 0.811 291 P CB -0.100 31.400 31.700 -0.333 0.000 1.211 292 P HA 0.017 nan 4.420 nan 0.000 0.266 292 P C -1.514 175.722 177.300 -0.106 0.000 1.193 292 P CA -0.520 62.516 63.100 -0.108 0.000 0.770 292 P CB -0.748 30.937 31.700 -0.025 0.000 0.836 293 P HA -0.091 nan 4.420 nan 0.000 0.242 293 P C 0.171 177.535 177.300 0.106 0.000 1.198 293 P CA 0.956 64.115 63.100 0.099 0.000 0.756 293 P CB 0.209 32.039 31.700 0.217 0.000 0.911 294 S N 0.463 116.088 115.700 -0.125 0.000 2.554 294 S HA 0.333 4.803 4.470 -0.000 0.000 0.278 294 S C 0.979 175.550 174.600 -0.049 0.000 1.242 294 S CA -0.405 57.736 58.200 -0.099 0.000 1.051 294 S CB 0.548 63.468 63.200 -0.468 0.000 0.986 294 S HN 0.109 nan 8.310 nan 0.000 0.502 295 S N 2.793 118.519 115.700 0.045 0.000 2.588 295 S HA 0.341 4.811 4.470 -0.000 0.000 0.245 295 S C 1.062 175.724 174.600 0.103 0.000 1.021 295 S CA -0.070 58.178 58.200 0.080 0.000 1.006 295 S CB 0.340 63.658 63.200 0.196 0.000 0.830 295 S HN 0.777 nan 8.310 nan 0.000 0.468 296 G N 1.947 110.753 108.800 0.010 0.000 2.641 296 G HA2 0.348 4.308 3.960 -0.000 0.000 0.211 296 G HA3 0.348 4.308 3.960 -0.000 0.000 0.211 296 G C 1.297 176.167 174.900 -0.049 0.000 1.190 296 G CA 0.311 45.418 45.100 0.013 0.000 0.842 296 G HN 0.532 nan 8.290 nan 0.000 0.585 297 G N 1.437 110.178 108.800 -0.098 0.000 2.553 297 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.218 297 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.218 297 G C 1.793 176.621 174.900 -0.120 0.000 1.195 297 G CA 1.162 46.198 45.100 -0.106 0.000 0.779 297 G HN 0.403 nan 8.290 nan 0.000 0.577 298 I N 0.166 120.623 120.570 -0.188 0.000 2.091 298 I HA -0.258 3.912 4.170 -0.000 0.000 0.239 298 I C 2.653 178.652 176.117 -0.197 0.000 1.061 298 I CA 1.540 62.712 61.300 -0.213 0.000 1.317 298 I CB -0.384 37.416 38.000 -0.333 0.000 1.031 298 I HN 0.207 nan 8.210 nan 0.000 0.401 299 H N 0.271 119.320 119.070 -0.035 0.000 2.423 299 H HA -0.044 4.512 4.556 -0.000 0.000 0.297 299 H C 2.397 177.671 175.328 -0.090 0.000 1.075 299 H CA 1.345 57.344 56.048 -0.082 0.000 1.342 299 H CB -0.327 29.326 29.762 -0.180 0.000 1.395 299 H HN 0.386 nan 8.280 nan 0.000 0.530 300 I N 0.036 120.609 120.570 0.005 0.000 2.226 300 I HA -0.213 3.956 4.170 -0.000 0.000 0.245 300 I C 2.434 178.527 176.117 -0.040 0.000 1.100 300 I CA 0.712 61.995 61.300 -0.028 0.000 1.374 300 I CB -0.144 37.832 38.000 -0.041 0.000 1.057 300 I HN 0.002 nan 8.210 nan 0.000 0.413 301 V N 0.468 120.361 119.914 -0.036 0.000 2.427 301 V HA -0.312 3.808 4.120 -0.000 0.000 0.248 301 V C 2.452 178.549 176.094 0.005 0.000 1.051 301 V CA 2.005 64.291 62.300 -0.023 0.000 1.048 301 V CB -0.644 31.166 31.823 -0.021 0.000 0.666 301 V HN 0.524 nan 8.190 nan 0.000 0.456 302 Q N -0.338 119.473 119.800 0.018 0.000 2.050 302 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 302 Q C 2.278 178.290 176.000 0.019 0.000 0.980 302 Q CA 1.979 57.801 55.803 0.031 0.000 0.840 302 Q CB -0.066 28.726 28.738 0.089 0.000 0.898 302 Q HN 0.488 nan 8.270 nan 0.000 0.424 303 I N 0.942 121.525 120.570 0.022 0.000 2.226 303 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 303 I C 2.394 178.534 176.117 0.038 0.000 1.100 303 I CA 1.154 62.471 61.300 0.029 0.000 1.374 303 I CB -1.180 36.827 38.000 0.011 0.000 1.057 303 I HN 0.357 nan 8.210 nan 0.000 0.413 304 L N 0.535 121.752 121.223 -0.010 0.000 2.083 304 L HA -0.239 4.101 4.340 -0.000 0.000 0.209 304 L C 2.336 179.340 176.870 0.224 0.000 1.083 304 L CA 1.169 55.996 54.840 -0.022 0.000 0.752 304 L CB -0.671 41.272 42.059 -0.194 0.000 0.899 304 L HN 0.294 nan 8.230 nan 0.000 0.433 305 N N 0.303 119.081 118.700 0.131 0.000 2.104 305 N HA -0.169 4.571 4.740 -0.000 0.000 0.190 305 N C 1.841 177.400 175.510 0.082 0.000 1.024 305 N CA 1.417 54.529 53.050 0.103 0.000 0.853 305 N CB -0.230 38.272 38.487 0.024 0.000 1.008 305 N HN 0.327 nan 8.380 nan 0.000 0.424 306 I N 1.127 121.744 120.570 0.078 0.000 2.090 306 I HA -0.249 3.921 4.170 -0.000 0.000 0.236 306 I C 2.081 178.339 176.117 0.235 0.000 1.064 306 I CA 0.889 62.251 61.300 0.104 0.000 1.324 306 I CB -0.424 37.656 38.000 0.133 0.000 1.044 306 I HN 0.042 nan 8.210 nan 0.000 0.399 307 L N 0.423 121.844 121.223 0.330 0.000 2.197 307 L HA -0.272 4.067 4.340 -0.000 0.000 0.215 307 L C 2.493 179.586 176.870 0.372 0.000 1.095 307 L CA 1.407 56.517 54.840 0.450 0.000 0.764 307 L CB -0.781 41.497 42.059 0.365 0.000 0.897 307 L HN 0.397 nan 8.230 nan 0.000 0.436 308 E N 0.375 120.734 120.200 0.265 0.000 2.209 308 E HA -0.212 4.138 4.350 -0.000 0.000 0.196 308 E C 1.818 178.386 176.600 -0.053 0.000 0.993 308 E CA 0.892 57.301 56.400 0.014 0.000 0.819 308 E CB 0.149 29.822 29.700 -0.045 0.000 0.745 308 E HN 0.536 nan 8.360 nan 0.000 0.477 309 N N -0.276 118.361 118.700 -0.106 0.000 2.188 309 N HA -0.081 4.659 4.740 -0.000 0.000 0.184 309 N C 0.081 175.373 175.510 -0.364 0.000 1.018 309 N CA 0.805 53.659 53.050 -0.327 0.000 0.858 309 N CB -0.046 38.089 38.487 -0.587 0.000 0.989 309 N HN 0.032 nan 8.380 nan 0.000 0.426 310 F N 0.988 120.976 119.950 0.063 0.000 2.378 310 F HA 0.218 4.745 4.527 -0.000 0.000 0.325 310 F C 0.950 176.780 175.800 0.050 0.000 1.097 310 F CA -1.054 57.009 58.000 0.105 0.000 1.079 310 F CB 0.668 39.782 39.000 0.190 0.000 1.240 310 F HN -0.219 nan 8.300 nan 0.000 0.519 311 D N 2.462 122.965 120.400 0.171 0.000 2.456 311 D HA 0.129 4.769 4.640 -0.000 0.000 0.219 311 D C 0.705 176.853 176.300 -0.253 0.000 1.126 311 D CA -0.179 53.771 54.000 -0.082 0.000 0.890 311 D CB 0.773 41.459 40.800 -0.191 0.000 1.025 311 D HN 0.327 nan 8.370 nan 0.000 0.511 312 M N 3.046 122.637 119.600 -0.014 0.000 2.200 312 M HA -0.087 4.392 4.480 -0.000 0.000 0.265 312 M C 1.916 178.191 176.300 -0.041 0.000 1.066 312 M CA 1.020 56.351 55.300 0.053 0.000 1.127 312 M CB -0.958 31.743 32.600 0.168 0.000 1.379 312 M HN 0.369 nan 8.290 nan 0.000 0.420 313 K N 0.707 121.075 120.400 -0.053 0.000 2.152 313 K HA -0.166 4.154 4.320 -0.000 0.000 0.206 313 K C 1.939 178.486 176.600 -0.088 0.000 1.048 313 K CA 1.239 57.504 56.287 -0.036 0.000 0.933 313 K CB 0.169 32.655 32.500 -0.023 0.000 0.721 313 K HN 0.262 nan 8.250 nan 0.000 0.447 314 K N -0.310 119.946 120.400 -0.241 0.000 1.973 314 K HA -0.144 4.176 4.320 -0.000 0.000 0.210 314 K C 2.191 178.717 176.600 -0.125 0.000 1.045 314 K CA 1.723 57.862 56.287 -0.246 0.000 0.937 314 K CB -0.376 31.871 32.500 -0.421 0.000 0.721 314 K HN 0.155 nan 8.250 nan 0.000 0.438 315 Y N 0.514 120.837 120.300 0.039 0.000 2.165 315 Y HA -0.087 4.463 4.550 -0.000 0.000 0.286 315 Y C 1.520 177.438 175.900 0.030 0.000 1.155 315 Y CA 0.884 58.998 58.100 0.023 0.000 1.164 315 Y CB -1.143 37.321 38.460 0.005 0.000 0.978 315 Y HN 0.345 nan 8.280 nan 0.000 0.513 316 G N -0.398 108.500 108.800 0.162 0.000 2.733 316 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.686 316 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.686 316 G C -0.564 174.435 174.900 0.166 0.000 1.373 316 G CA -0.565 44.624 45.100 0.148 0.000 0.838 316 G HN 0.355 nan 8.290 nan 0.000 0.588 317 F N 1.932 121.915 119.950 0.055 0.000 2.563 317 F HA 0.411 4.938 4.527 -0.000 0.000 0.363 317 F C 1.782 177.605 175.800 0.038 0.000 1.123 317 F CA 2.357 60.383 58.000 0.042 0.000 1.307 317 F CB 0.881 39.898 39.000 0.029 0.000 1.115 317 F HN 2.189 nan 8.300 nan 0.000 0.592 318 G N 2.354 110.771 108.800 -0.639 0.000 3.079 318 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.214 318 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.214 318 G C 0.374 175.164 174.900 -0.183 0.000 1.335 318 G CA 0.062 44.969 45.100 -0.322 0.000 0.822 318 G HN 1.500 nan 8.290 nan 0.000 0.545 319 S N 1.513 117.167 115.700 -0.078 0.000 2.593 319 S HA 0.378 4.848 4.470 -0.000 0.000 0.303 319 S C 1.625 176.161 174.600 -0.107 0.000 1.267 319 S CA 0.870 59.040 58.200 -0.050 0.000 1.047 319 S CB 1.381 64.593 63.200 0.020 0.000 0.777 319 S HN 2.027 nan 8.310 nan 0.000 0.498 320 A N 2.240 124.998 122.820 -0.104 0.000 2.067 320 A HA -0.045 4.274 4.320 -0.000 0.000 0.219 320 A C 1.829 179.308 177.584 -0.174 0.000 1.158 320 A CA 1.263 53.223 52.037 -0.127 0.000 0.661 320 A CB -0.579 18.359 19.000 -0.102 0.000 0.801 320 A HN 0.887 nan 8.150 nan 0.000 0.452 321 D N 0.408 120.679 120.400 -0.215 0.000 2.077 321 D HA -0.067 4.573 4.640 -0.000 0.000 0.196 321 D C 2.345 178.415 176.300 -0.383 0.000 0.986 321 D CA 1.686 55.450 54.000 -0.394 0.000 0.829 321 D CB -0.541 39.872 40.800 -0.644 0.000 0.983 321 D HN 0.367 nan 8.370 nan 0.000 0.453 322 A N 0.747 123.440 122.820 -0.212 0.000 1.940 322 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 322 A C 2.287 179.798 177.584 -0.121 0.000 1.176 322 A CA 1.600 53.614 52.037 -0.039 0.000 0.631 322 A CB -0.607 18.439 19.000 0.076 0.000 0.814 322 A HN 0.202 nan 8.150 nan 0.000 0.446 323 M N -1.723 117.781 119.600 -0.161 0.000 2.254 323 M HA -0.145 4.335 4.480 -0.000 0.000 0.265 323 M C 2.398 178.607 176.300 -0.151 0.000 1.066 323 M CA 1.734 56.938 55.300 -0.160 0.000 1.123 323 M CB -0.146 32.353 32.600 -0.169 0.000 1.388 323 M HN 0.525 nan 8.290 nan 0.000 0.425 324 Q N 1.072 120.765 119.800 -0.178 0.000 2.062 324 Q HA -0.077 4.263 4.340 -0.000 0.000 0.196 324 Q C 1.765 177.644 176.000 -0.201 0.000 0.967 324 Q CA 1.450 57.149 55.803 -0.173 0.000 0.832 324 Q CB -0.120 28.509 28.738 -0.181 0.000 0.899 324 Q HN 0.345 nan 8.270 nan 0.000 0.442 325 I N 0.313 120.713 120.570 -0.283 0.000 2.118 325 I HA -0.323 3.846 4.170 -0.000 0.000 0.241 325 I C 2.306 178.286 176.117 -0.227 0.000 1.070 325 I CA 1.746 62.803 61.300 -0.404 0.000 1.327 325 I CB -1.185 36.480 38.000 -0.557 0.000 1.034 325 I HN 0.394 nan 8.210 nan 0.000 0.405 326 M N 0.128 119.646 119.600 -0.136 0.000 2.117 326 M HA -0.162 4.318 4.480 -0.000 0.000 0.262 326 M C 2.458 178.735 176.300 -0.039 0.000 1.065 326 M CA 1.919 57.187 55.300 -0.054 0.000 1.114 326 M CB -0.471 32.106 32.600 -0.038 0.000 1.361 326 M HN 0.273 nan 8.290 nan 0.000 0.408 327 A N 0.244 123.022 122.820 -0.070 0.000 1.902 327 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 327 A C 2.058 179.605 177.584 -0.061 0.000 1.181 327 A CA 1.544 53.544 52.037 -0.062 0.000 0.623 327 A CB -0.505 18.443 19.000 -0.086 0.000 0.818 327 A HN 0.395 nan 8.150 nan 0.000 0.443 328 E N -0.134 120.022 120.200 -0.073 0.000 2.015 328 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 328 E C 2.455 179.044 176.600 -0.017 0.000 0.991 328 E CA 1.210 57.564 56.400 -0.077 0.000 0.802 328 E CB -0.847 28.830 29.700 -0.038 0.000 0.759 328 E HN 0.528 nan 8.360 nan 0.000 0.447 329 A N 1.642 124.519 122.820 0.096 0.000 1.940 329 A HA -0.303 4.017 4.320 -0.000 0.000 0.221 329 A C 2.047 179.737 177.584 0.177 0.000 1.190 329 A CA 2.205 54.373 52.037 0.219 0.000 0.647 329 A CB -0.723 18.367 19.000 0.149 0.000 0.821 329 A HN 0.297 nan 8.150 nan 0.000 0.457 330 E N -0.468 119.792 120.200 0.099 0.000 2.153 330 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 330 E C 2.045 178.764 176.600 0.199 0.000 0.988 330 E CA 1.282 57.777 56.400 0.159 0.000 0.811 330 E CB -0.127 29.697 29.700 0.207 0.000 0.746 330 E HN 0.649 nan 8.360 nan 0.000 0.466 331 K N 0.066 120.462 120.400 -0.006 0.000 2.063 331 K HA -0.197 4.123 4.320 -0.000 0.000 0.208 331 K C 1.978 178.525 176.600 -0.089 0.000 1.048 331 K CA 1.546 57.763 56.287 -0.117 0.000 0.928 331 K CB -0.281 32.009 32.500 -0.351 0.000 0.713 331 K HN 0.172 nan 8.250 nan 0.000 0.442 332 Y N 0.862 121.198 120.300 0.061 0.000 2.089 332 Y HA -0.227 4.322 4.550 -0.000 0.000 0.282 332 Y C 2.648 178.567 175.900 0.032 0.000 1.139 332 Y CA 1.209 59.339 58.100 0.051 0.000 1.123 332 Y CB -0.984 37.491 38.460 0.025 0.000 0.980 332 Y HN 0.077 nan 8.280 nan 0.000 0.493 333 A N -0.467 122.436 122.820 0.139 0.000 1.892 333 A HA -0.260 4.059 4.320 -0.000 0.000 0.218 333 A C 1.985 179.345 177.584 -0.373 0.000 1.188 333 A CA 1.999 53.986 52.037 -0.082 0.000 0.631 333 A CB -1.444 17.457 19.000 -0.167 0.000 0.822 333 A HN 0.557 nan 8.150 nan 0.000 0.447 334 Y N -0.175 120.013 120.300 -0.187 0.000 2.352 334 Y HA -0.042 4.507 4.550 -0.000 0.000 0.292 334 Y C 2.835 178.652 175.900 -0.138 0.000 1.136 334 Y CA 0.675 58.652 58.100 -0.205 0.000 1.227 334 Y CB -0.493 37.889 38.460 -0.129 0.000 0.991 334 Y HN 0.351 nan 8.280 nan 0.000 0.545 335 A N 0.069 122.928 122.820 0.065 0.000 1.877 335 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 335 A C 1.963 179.545 177.584 -0.003 0.000 1.186 335 A CA 1.975 54.038 52.037 0.042 0.000 0.620 335 A CB -0.626 18.426 19.000 0.086 0.000 0.822 335 A HN 0.344 nan 8.150 nan 0.000 0.443 336 D N -0.780 119.641 120.400 0.036 0.000 2.144 336 D HA -0.146 4.494 4.640 -0.000 0.000 0.200 336 D C 2.045 178.367 176.300 0.038 0.000 0.978 336 D CA 1.156 55.194 54.000 0.063 0.000 0.833 336 D CB -0.365 40.666 40.800 0.384 0.000 0.961 336 D HN 0.515 nan 8.370 nan 0.000 0.470 337 R N 1.137 121.604 120.500 -0.055 0.000 2.096 337 R HA -0.175 4.165 4.340 -0.000 0.000 0.240 337 R C 2.245 178.580 176.300 0.058 0.000 1.139 337 R CA 2.141 58.266 56.100 0.041 0.000 0.952 337 R CB -0.156 30.058 30.300 -0.144 0.000 0.854 337 R HN 0.190 nan 8.270 nan 0.000 0.436 338 S N -0.789 114.911 115.700 -0.000 0.000 2.469 338 S HA -0.121 4.349 4.470 -0.000 0.000 0.238 338 S C 1.586 176.153 174.600 -0.055 0.000 0.998 338 S CA 1.256 59.450 58.200 -0.009 0.000 0.957 338 S CB 0.095 63.285 63.200 -0.017 0.000 0.764 338 S HN 0.410 nan 8.310 nan 0.000 0.514 339 E N 0.859 120.971 120.200 -0.147 0.000 2.110 339 E HA 0.197 4.547 4.350 -0.000 0.000 0.194 339 E C 0.533 177.018 176.600 -0.192 0.000 0.944 339 E CA 0.428 56.644 56.400 -0.306 0.000 0.899 339 E CB -0.267 28.987 29.700 -0.742 0.000 0.907 339 E HN 0.587 nan 8.360 nan 0.000 0.473 340 Y N 0.546 120.912 120.300 0.111 0.000 2.496 340 Y HA 0.314 4.863 4.550 -0.000 0.000 0.313 340 Y C -0.074 175.899 175.900 0.122 0.000 1.184 340 Y CA -0.119 58.046 58.100 0.109 0.000 1.275 340 Y CB 0.098 38.624 38.460 0.109 0.000 1.103 340 Y HN -0.023 nan 8.280 nan 0.000 0.513 341 L N 0.002 121.360 121.223 0.224 0.000 2.365 341 L HA 0.838 5.178 4.340 -0.000 0.000 0.273 341 L C 0.359 177.316 176.870 0.145 0.000 1.000 341 L CA -0.243 54.711 54.840 0.189 0.000 0.819 341 L CB 1.628 43.812 42.059 0.210 0.000 1.284 341 L HN 0.296 nan 8.230 nan 0.000 0.418 342 G N 1.543 110.426 108.800 0.138 0.000 2.488 342 G HA2 0.135 4.095 3.960 -0.000 0.000 0.301 342 G HA3 0.135 4.095 3.960 -0.000 0.000 0.301 342 G C -1.618 173.367 174.900 0.141 0.000 1.339 342 G CA -0.545 44.632 45.100 0.129 0.000 0.803 342 G HN 0.407 nan 8.290 nan 0.000 0.482 343 D N 1.092 121.592 120.400 0.167 0.000 2.382 343 D HA 0.180 4.820 4.640 -0.000 0.000 0.259 343 D C -0.658 175.773 176.300 0.218 0.000 1.224 343 D CA -1.572 52.558 54.000 0.217 0.000 0.894 343 D CB 1.735 42.730 40.800 0.325 0.000 1.127 343 D HN 0.050 nan 8.370 nan 0.000 0.487 344 P HA -0.118 nan 4.420 nan 0.000 0.225 344 P C 0.293 177.630 177.300 0.061 0.000 1.148 344 P CA 0.708 63.868 63.100 0.100 0.000 0.779 344 P CB 0.475 32.206 31.700 0.052 0.000 0.780 345 D N -1.448 118.979 120.400 0.046 0.000 2.347 345 D HA 0.019 4.659 4.640 -0.000 0.000 0.213 345 D C 1.266 177.335 176.300 -0.384 0.000 0.985 345 D CA 0.750 54.652 54.000 -0.163 0.000 0.879 345 D CB -0.337 40.323 40.800 -0.233 0.000 0.919 345 D HN 0.290 nan 8.370 nan 0.000 0.526 346 F N -0.413 119.562 119.950 0.041 0.000 2.711 346 F HA 0.188 4.714 4.527 -0.000 0.000 0.296 346 F C 0.639 176.468 175.800 0.048 0.000 1.096 346 F CA -0.194 57.832 58.000 0.042 0.000 1.280 346 F CB 1.122 40.148 39.000 0.044 0.000 1.060 346 F HN -0.291 nan 8.300 nan 0.000 0.608 347 V N 0.447 120.485 119.914 0.205 0.000 2.971 347 V HA 0.526 4.646 4.120 -0.000 0.000 0.309 347 V C -1.298 174.870 176.094 0.122 0.000 1.130 347 V CA -0.994 61.397 62.300 0.151 0.000 0.964 347 V CB 2.115 34.033 31.823 0.159 0.000 1.029 347 V HN -0.110 nan 8.190 nan 0.000 0.427 348 K N 3.794 124.256 120.400 0.103 0.000 2.276 348 K HA 0.561 4.881 4.320 -0.000 0.000 0.285 348 K C -1.036 175.634 176.600 0.117 0.000 1.062 348 K CA -0.058 56.288 56.287 0.098 0.000 0.918 348 K CB 1.028 33.566 32.500 0.062 0.000 1.055 348 K HN 0.527 nan 8.250 nan 0.000 0.477 349 V N 7.940 127.951 119.914 0.162 0.000 2.407 349 V HA 0.320 4.440 4.120 -0.000 0.000 0.278 349 V C -1.777 174.392 176.094 0.126 0.000 1.037 349 V CA -1.515 60.894 62.300 0.181 0.000 0.900 349 V CB 1.468 33.429 31.823 0.229 0.000 0.983 349 V HN 0.819 nan 8.190 nan 0.000 0.459 350 P HA 0.025 nan 4.420 nan 0.000 0.225 350 P C 1.062 178.256 177.300 -0.176 0.000 1.768 350 P CA -0.214 62.770 63.100 -0.193 0.000 0.943 350 P CB -0.198 31.321 31.700 -0.302 0.000 1.936 351 W N 1.021 122.285 121.300 -0.061 0.000 2.421 351 W HA -0.132 4.528 4.660 -0.000 0.000 0.270 351 W C 0.539 177.025 176.519 -0.055 0.000 1.233 351 W CA 0.363 57.671 57.345 -0.061 0.000 1.226 351 W CB -1.340 28.084 29.460 -0.060 0.000 1.121 351 W HN 0.094 nan 8.180 nan 0.000 0.579 352 Q N 1.536 120.827 119.800 -0.848 0.000 2.083 352 Q HA 0.011 4.351 4.340 -0.000 0.000 0.198 352 Q C 2.819 178.654 176.000 -0.276 0.000 0.969 352 Q CA 2.509 57.910 55.803 -0.670 0.000 0.838 352 Q CB -0.869 27.329 28.738 -0.899 0.000 0.900 352 Q HN 0.284 nan 8.270 nan 0.000 0.436 353 A N 0.604 123.255 122.820 -0.283 0.000 1.873 353 A HA -0.107 4.212 4.320 -0.000 0.000 0.215 353 A C 2.042 179.546 177.584 -0.133 0.000 1.186 353 A CA 0.993 52.904 52.037 -0.210 0.000 0.616 353 A CB -0.749 18.094 19.000 -0.262 0.000 0.823 353 A HN 0.327 nan 8.150 nan 0.000 0.442 354 L N 0.081 121.261 121.223 -0.072 0.000 2.187 354 L HA -0.143 4.197 4.340 -0.000 0.000 0.213 354 L C 2.231 179.192 176.870 0.151 0.000 1.100 354 L CA 1.696 56.603 54.840 0.111 0.000 0.765 354 L CB -0.473 41.655 42.059 0.114 0.000 0.904 354 L HN 0.668 nan 8.230 nan 0.000 0.437 355 T N -4.942 109.664 114.554 0.086 0.000 3.134 355 T HA 0.062 4.412 4.350 -0.000 0.000 0.260 355 T C 0.691 175.415 174.700 0.041 0.000 1.027 355 T CA -0.475 61.672 62.100 0.079 0.000 0.913 355 T CB -0.334 68.606 68.868 0.121 0.000 1.046 355 T HN 0.094 nan 8.240 nan 0.000 0.553 356 N N 2.102 120.811 118.700 0.015 0.000 2.475 356 N HA 0.092 4.831 4.740 -0.000 0.000 0.267 356 N C 0.872 176.357 175.510 -0.041 0.000 1.169 356 N CA 0.042 53.075 53.050 -0.027 0.000 0.947 356 N CB 1.020 39.456 38.487 -0.085 0.000 1.061 356 N HN 0.308 nan 8.380 nan 0.000 0.466 357 K N 2.817 123.200 120.400 -0.028 0.000 2.148 357 K HA -0.103 4.217 4.320 -0.000 0.000 0.204 357 K C 1.652 178.218 176.600 -0.056 0.000 1.050 357 K CA 1.298 57.562 56.287 -0.039 0.000 0.942 357 K CB -0.002 32.486 32.500 -0.019 0.000 0.724 357 K HN 0.645 nan 8.250 nan 0.000 0.446 358 A N 0.788 123.592 122.820 -0.027 0.000 1.930 358 A HA -0.200 4.119 4.320 -0.000 0.000 0.217 358 A C 2.021 179.576 177.584 -0.049 0.000 1.175 358 A CA 1.207 53.260 52.037 0.027 0.000 0.627 358 A CB -0.653 18.448 19.000 0.168 0.000 0.815 358 A HN 0.413 nan 8.150 nan 0.000 0.443 359 Y N 0.811 120.793 120.300 -0.530 0.000 2.293 359 Y HA 0.025 4.574 4.550 -0.000 0.000 0.291 359 Y C 2.466 178.155 175.900 -0.352 0.000 1.137 359 Y CA 0.676 58.279 58.100 -0.828 0.000 1.202 359 Y CB -0.696 37.019 38.460 -1.242 0.000 0.990 359 Y HN 0.285 nan 8.280 nan 0.000 0.537 360 A N -0.092 122.512 122.820 -0.359 0.000 2.070 360 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 360 A C 2.140 179.575 177.584 -0.248 0.000 1.159 360 A CA 1.752 53.583 52.037 -0.342 0.000 0.656 360 A CB -0.538 18.362 19.000 -0.168 0.000 0.800 360 A HN 0.376 nan 8.150 nan 0.000 0.453 361 K N 0.740 121.034 120.400 -0.176 0.000 2.098 361 K HA -0.049 4.270 4.320 -0.000 0.000 0.203 361 K C 2.102 178.638 176.600 -0.107 0.000 1.051 361 K CA 1.571 57.782 56.287 -0.127 0.000 0.957 361 K CB -0.405 32.051 32.500 -0.073 0.000 0.738 361 K HN 0.469 nan 8.250 nan 0.000 0.447 362 S N 0.025 115.682 115.700 -0.072 0.000 2.500 362 S HA -0.062 4.408 4.470 -0.000 0.000 0.239 362 S C 1.596 176.118 174.600 -0.130 0.000 0.989 362 S CA 0.786 58.985 58.200 -0.002 0.000 0.951 362 S CB -0.287 63.038 63.200 0.209 0.000 0.759 362 S HN 0.201 nan 8.310 nan 0.000 0.523 363 I N 1.392 121.787 120.570 -0.293 0.000 3.172 363 I HA 0.298 4.468 4.170 -0.000 0.000 0.278 363 I C 2.695 178.684 176.117 -0.214 0.000 1.174 363 I CA 0.693 61.716 61.300 -0.463 0.000 1.445 363 I CB -1.545 36.037 38.000 -0.697 0.000 1.175 363 I HN 0.389 nan 8.210 nan 0.000 0.447 364 A N 0.728 123.487 122.820 -0.100 0.000 2.225 364 A HA -0.176 4.143 4.320 -0.000 0.000 0.215 364 A C 1.637 179.288 177.584 0.112 0.000 1.164 364 A CA 1.602 53.676 52.037 0.063 0.000 0.710 364 A CB -0.494 18.393 19.000 -0.188 0.000 0.780 364 A HN 0.355 nan 8.150 nan 0.000 0.473 365 D N -0.566 119.852 120.400 0.029 0.000 2.414 365 D HA -0.035 4.605 4.640 -0.000 0.000 0.237 365 D C 1.848 178.203 176.300 0.091 0.000 0.975 365 D CA 0.899 54.932 54.000 0.055 0.000 0.917 365 D CB -0.637 40.173 40.800 0.016 0.000 1.061 365 D HN 0.567 nan 8.370 nan 0.000 0.480 366 Q N 0.288 120.125 119.800 0.062 0.000 2.561 366 Q HA 0.019 4.359 4.340 -0.000 0.000 0.217 366 Q C 0.248 176.387 176.000 0.231 0.000 0.980 366 Q CA 0.364 56.245 55.803 0.130 0.000 0.927 366 Q CB 0.098 28.910 28.738 0.122 0.000 0.980 366 Q HN 0.325 nan 8.270 nan 0.000 0.525 367 I N 1.903 122.609 120.570 0.227 0.000 2.337 367 I HA 0.039 4.209 4.170 -0.000 0.000 0.291 367 I C 0.011 176.207 176.117 0.132 0.000 1.046 367 I CA -0.336 61.099 61.300 0.225 0.000 1.324 367 I CB 0.649 38.810 38.000 0.269 0.000 1.409 367 I HN -0.048 nan 8.210 nan 0.000 0.494 368 D N 7.295 127.737 120.400 0.071 0.000 2.359 368 D HA 0.211 4.851 4.640 -0.000 0.000 0.230 368 D C 1.165 177.450 176.300 -0.025 0.000 1.118 368 D CA -0.218 53.800 54.000 0.031 0.000 0.844 368 D CB 1.242 42.056 40.800 0.023 0.000 1.059 368 D HN 0.433 nan 8.370 nan 0.000 0.493 369 I N 3.056 123.605 120.570 -0.035 0.000 2.194 369 I HA -0.298 3.872 4.170 -0.000 0.000 0.246 369 I C 1.582 177.642 176.117 -0.094 0.000 1.093 369 I CA 0.942 62.184 61.300 -0.096 0.000 1.355 369 I CB -0.035 37.918 38.000 -0.079 0.000 1.046 369 I HN 0.368 nan 8.210 nan 0.000 0.413 370 N N 0.070 118.736 118.700 -0.058 0.000 2.205 370 N HA 0.102 4.842 4.740 -0.000 0.000 0.201 370 N C 0.262 175.746 175.510 -0.044 0.000 1.128 370 N CA 0.198 53.215 53.050 -0.055 0.000 0.867 370 N CB 0.909 39.372 38.487 -0.040 0.000 0.996 370 N HN 0.324 nan 8.380 nan 0.000 0.503 371 K N 0.575 120.953 120.400 -0.036 0.000 2.385 371 K HA 0.660 4.980 4.320 -0.000 0.000 0.248 371 K C -1.602 174.977 176.600 -0.035 0.000 0.955 371 K CA -0.620 55.649 56.287 -0.030 0.000 0.816 371 K CB 2.326 34.818 32.500 -0.014 0.000 1.250 371 K HN -0.114 nan 8.250 nan 0.000 0.434 372 A N 3.188 125.984 122.820 -0.041 0.000 2.303 372 A HA 0.332 4.652 4.320 -0.000 0.000 0.320 372 A C -0.984 176.572 177.584 -0.047 0.000 1.192 372 A CA -0.679 51.326 52.037 -0.053 0.000 0.821 372 A CB 0.837 19.797 19.000 -0.066 0.000 1.188 372 A HN 0.730 nan 8.150 nan 0.000 0.492 373 K N 3.924 124.291 120.400 -0.054 0.000 2.292 373 K HA 0.324 4.643 4.320 -0.000 0.000 0.290 373 K C -2.532 174.027 176.600 -0.067 0.000 1.083 373 K CA -1.656 54.605 56.287 -0.044 0.000 0.918 373 K CB 0.165 32.650 32.500 -0.026 0.000 1.089 373 K HN 0.344 nan 8.250 nan 0.000 0.473 374 P HA -0.085 nan 4.420 nan 0.000 0.264 374 P C -0.093 177.171 177.300 -0.060 0.000 1.173 374 P CA 0.314 63.383 63.100 -0.052 0.000 0.761 374 P CB 0.638 32.318 31.700 -0.034 0.000 0.794 375 S N 0.957 116.616 115.700 -0.069 0.000 2.493 375 S HA -0.138 4.332 4.470 -0.000 0.000 0.243 375 S C 1.619 176.194 174.600 -0.042 0.000 0.991 375 S CA 1.554 59.712 58.200 -0.069 0.000 0.957 375 S CB -0.685 62.472 63.200 -0.072 0.000 0.756 375 S HN 0.665 nan 8.310 nan 0.000 0.521 376 S N 0.854 116.535 115.700 -0.031 0.000 2.528 376 S HA 0.152 4.622 4.470 -0.000 0.000 0.219 376 S C 0.911 175.508 174.600 -0.004 0.000 0.985 376 S CA -0.090 58.100 58.200 -0.016 0.000 0.914 376 S CB -0.065 63.126 63.200 -0.015 0.000 0.776 376 S HN 0.509 nan 8.310 nan 0.000 0.526 377 E N 0.588 120.785 120.200 -0.005 0.000 2.499 377 E HA 0.422 4.771 4.350 -0.000 0.000 0.199 377 E C -0.628 175.992 176.600 0.034 0.000 1.016 377 E CA -0.068 56.341 56.400 0.014 0.000 0.933 377 E CB 0.398 30.105 29.700 0.012 0.000 1.050 377 E HN 0.561 nan 8.360 nan 0.000 0.462 378 I N 0.538 121.122 120.570 0.024 0.000 2.769 378 I HA 0.449 4.619 4.170 -0.000 0.000 0.298 378 I C -0.222 175.933 176.117 0.064 0.000 1.128 378 I CA -0.890 60.445 61.300 0.059 0.000 1.031 378 I CB 1.998 39.980 38.000 -0.030 0.000 1.235 378 I HN -0.165 nan 8.210 nan 0.000 0.423 379 R N 3.095 123.663 120.500 0.113 0.000 2.752 379 R HA 0.425 4.765 4.340 -0.000 0.000 0.271 379 R C -2.821 173.556 176.300 0.129 0.000 1.026 379 R CA -1.966 54.186 56.100 0.086 0.000 0.901 379 R CB 1.509 31.849 30.300 0.068 0.000 1.243 379 R HN 0.196 nan 8.270 nan 0.000 0.463 380 P HA 0.010 nan 4.420 nan 0.000 0.259 380 P C 0.168 177.612 177.300 0.240 0.000 1.211 380 P CA 0.494 63.647 63.100 0.087 0.000 0.810 380 P CB 0.050 31.623 31.700 -0.211 0.000 0.815 381 G N 3.797 112.800 108.800 0.340 0.000 2.825 381 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.241 381 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.241 381 G C -0.258 174.798 174.900 0.259 0.000 1.239 381 G CA -0.545 44.746 45.100 0.318 0.000 0.859 381 G HN 0.380 nan 8.290 nan 0.000 0.598 382 K N 0.775 121.271 120.400 0.159 0.000 2.262 382 K HA 0.242 4.562 4.320 -0.000 0.000 0.282 382 K C 1.003 177.580 176.600 -0.038 0.000 1.066 382 K CA -0.303 56.028 56.287 0.073 0.000 0.901 382 K CB 1.256 33.786 32.500 0.051 0.000 1.089 382 K HN 0.334 nan 8.250 nan 0.000 0.476 383 L N 2.061 123.201 121.223 -0.138 0.000 2.298 383 L HA -0.014 4.326 4.340 -0.000 0.000 0.209 383 L C 2.318 179.101 176.870 -0.145 0.000 1.084 383 L CA 0.457 55.164 54.840 -0.221 0.000 0.816 383 L CB -0.454 41.347 42.059 -0.431 0.000 0.967 383 L HN 0.752 nan 8.230 nan 0.000 0.460 384 A N 1.761 124.493 122.820 -0.148 0.000 1.935 384 A HA -0.223 4.096 4.320 -0.000 0.000 0.224 384 A C -0.132 177.335 177.584 -0.195 0.000 1.324 384 A CA 2.541 54.492 52.037 -0.143 0.000 0.686 384 A CB -2.230 16.707 19.000 -0.106 0.000 0.837 384 A HN 0.373 nan 8.150 nan 0.000 0.481 385 P HA -0.031 nan 4.420 nan 0.000 0.244 385 P C -0.137 176.753 177.300 -0.683 0.000 1.211 385 P CA 0.994 63.807 63.100 -0.478 0.000 0.760 385 P CB -0.194 31.163 31.700 -0.572 0.000 0.961 386 Y N -1.498 118.703 120.300 -0.165 0.000 2.435 386 Y HA 0.168 4.718 4.550 -0.000 0.000 0.270 386 Y C 1.504 177.295 175.900 -0.182 0.000 1.093 386 Y CA -0.552 57.448 58.100 -0.167 0.000 1.226 386 Y CB -0.301 38.025 38.460 -0.224 0.000 1.289 386 Y HN -0.182 nan 8.280 nan 0.000 0.529 387 E N 0.000 120.155 120.200 -0.076 0.000 2.725 387 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 387 E CA 0.000 56.319 56.400 -0.135 0.000 0.976 387 E CB 0.000 29.616 29.700 -0.140 0.000 0.812 387 E HN 0.000 nan 8.360 nan 0.000 0.440