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 1wnd_1_C DATA FIRST_RESID 1 DATA SEQUENCE MQHKLLINGE LVSGEGEKQP VYNPATGDVL LEIAEASAEQ VDAAVRAADA DATA SEQUENCE AFAEWGQTTP KVRAECLLKL ADVIEENGQV FAELESRNCG KPLHSAFNDE DATA SEQUENCE IPAIVDVFRF FAGAARCLNG LAAGEYLEGH TSMIRRDPLG VVASIAPWNY DATA SEQUENCE PLMMAAWKLA PALAAGNCVV LKPSEITPLT ALKLAELAKD IFPAGVVNIL DATA SEQUENCE FGRGKTVGDP LTGHPKVRMV SLTGSIATGE HIISHTASSI KRTHMELGGK DATA SEQUENCE APVIVFDDAD IEAVVEGVRT FGYYNAGQDC TAACRIYAQK GIYDTLVEKL DATA SEQUENCE GAAVATLKSG APDDESTELG PLSSLAHLER VGKAVEEAKA TGHIKVITGG DATA SEQUENCE EKRKGNGYYY APTLLAGALQ DDAIVQKEVF GPVVSVTPFD NEEQVVNWAN DATA SEQUENCE DSQYGLASSV WTKDVGRAHR VSARLQYGCT WVNTHFMLVS EMPHGGQKLS DATA SEQUENCE GYGKDMSLYG LEDYTVVRHV MVKH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.325 176.300 0.041 0.000 1.140 1 M CA 0.000 55.304 55.300 0.006 0.000 0.988 1 M CB 0.000 32.600 32.600 -0.001 0.000 1.302 2 Q N 4.383 124.177 119.800 -0.010 0.000 2.332 2 Q HA 0.284 4.624 4.340 -0.000 0.000 0.263 2 Q C 0.509 176.494 176.000 -0.025 0.000 0.979 2 Q CA 0.473 56.240 55.803 -0.060 0.000 0.885 2 Q CB 0.633 29.326 28.738 -0.075 0.000 1.218 2 Q HN 0.948 nan 8.270 nan 0.000 0.405 3 H N -0.680 118.351 119.070 -0.064 0.000 3.182 3 H HA 0.366 4.922 4.556 -0.000 0.000 0.254 3 H C -0.611 174.678 175.328 -0.065 0.000 1.197 3 H CA -0.394 55.596 56.048 -0.096 0.000 1.061 3 H CB 0.897 30.598 29.762 -0.102 0.000 1.722 3 H HN 0.274 nan 8.280 nan 0.000 0.662 4 K N 1.837 122.088 120.400 -0.249 0.000 2.098 4 K HA 0.460 4.780 4.320 -0.000 0.000 0.258 4 K C 0.025 176.604 176.600 -0.035 0.000 0.973 4 K CA -0.778 55.426 56.287 -0.137 0.000 0.898 4 K CB 2.556 34.937 32.500 -0.200 0.000 1.057 4 K HN 0.033 nan 8.250 nan 0.000 0.447 5 L N 2.267 123.499 121.223 0.014 0.000 2.418 5 L HA 0.350 4.690 4.340 -0.000 0.000 0.265 5 L C 0.123 177.001 176.870 0.015 0.000 1.143 5 L CA -0.691 54.172 54.840 0.039 0.000 0.809 5 L CB 0.287 42.384 42.059 0.064 0.000 1.124 5 L HN 0.399 nan 8.230 nan 0.000 0.456 6 L N 4.047 125.280 121.223 0.017 0.000 2.276 6 L HA 0.546 4.886 4.340 -0.000 0.000 0.286 6 L C -0.857 176.013 176.870 -0.000 0.000 1.024 6 L CA -0.246 54.596 54.840 0.004 0.000 0.826 6 L CB 0.794 42.855 42.059 0.002 0.000 1.211 6 L HN 0.542 nan 8.230 nan 0.000 0.422 7 I N 4.854 125.423 120.570 -0.002 0.000 2.478 7 I HA 0.247 4.416 4.170 -0.000 0.000 0.287 7 I C 0.050 176.162 176.117 -0.009 0.000 1.042 7 I CA -0.730 60.566 61.300 -0.006 0.000 1.067 7 I CB 1.721 39.724 38.000 0.004 0.000 1.233 7 I HN 0.621 nan 8.210 nan 0.000 0.431 8 N N 4.802 123.491 118.700 -0.018 0.000 2.714 8 N HA -0.201 4.539 4.740 -0.000 0.000 0.252 8 N C 0.856 176.360 175.510 -0.009 0.000 1.014 8 N CA 1.395 54.437 53.050 -0.014 0.000 0.735 8 N CB -0.659 37.825 38.487 -0.005 0.000 0.924 8 N HN 1.149 nan 8.380 nan 0.000 0.540 9 G N -1.279 107.514 108.800 -0.012 0.000 2.168 9 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.263 9 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.263 9 G C -0.198 174.700 174.900 -0.003 0.000 0.977 9 G CA 0.795 45.891 45.100 -0.005 0.000 0.659 9 G HN 0.644 nan 8.290 nan 0.000 0.533 10 E N -0.761 119.437 120.200 -0.005 0.000 2.256 10 E HA 0.629 4.979 4.350 -0.000 0.000 0.267 10 E C -0.193 176.402 176.600 -0.008 0.000 0.892 10 E CA -0.978 55.419 56.400 -0.005 0.000 0.775 10 E CB 1.755 31.454 29.700 -0.002 0.000 1.207 10 E HN 0.179 nan 8.360 nan 0.000 0.420 11 L N 2.780 123.994 121.223 -0.016 0.000 2.257 11 L HA 0.415 4.755 4.340 -0.000 0.000 0.290 11 L C -0.331 176.524 176.870 -0.025 0.000 1.044 11 L CA -0.775 54.049 54.840 -0.027 0.000 0.810 11 L CB 0.830 42.861 42.059 -0.048 0.000 1.193 11 L HN 0.303 nan 8.230 nan 0.000 0.425 12 V N -0.234 119.672 119.914 -0.013 0.000 2.962 12 V HA 0.580 4.700 4.120 -0.000 0.000 0.313 12 V C 0.046 176.150 176.094 0.018 0.000 1.099 12 V CA -0.679 61.622 62.300 0.003 0.000 0.971 12 V CB 1.866 33.698 31.823 0.015 0.000 1.028 12 V HN 0.609 nan 8.190 nan 0.000 0.430 13 S N 1.940 117.664 115.700 0.039 0.000 2.576 13 S HA 0.565 5.035 4.470 -0.000 0.000 0.276 13 S C 0.724 175.375 174.600 0.086 0.000 1.339 13 S CA 0.288 58.539 58.200 0.085 0.000 1.039 13 S CB 1.083 64.347 63.200 0.107 0.000 0.902 13 S HN 1.501 nan 8.310 nan 0.000 0.516 14 G N 0.887 109.756 108.800 0.115 0.000 2.554 14 G HA2 0.201 4.161 3.960 -0.000 0.000 0.238 14 G HA3 0.201 4.161 3.960 -0.000 0.000 0.238 14 G C 0.056 175.010 174.900 0.089 0.000 1.259 14 G CA -0.336 44.834 45.100 0.116 0.000 0.843 14 G HN 0.818 nan 8.290 nan 0.000 0.582 15 E N 0.621 120.865 120.200 0.074 0.000 2.538 15 E HA 0.185 4.535 4.350 -0.000 0.000 0.207 15 E C 1.440 178.071 176.600 0.052 0.000 1.002 15 E CA -0.153 56.281 56.400 0.056 0.000 0.952 15 E CB 0.853 30.580 29.700 0.045 0.000 1.031 15 E HN 0.541 nan 8.360 nan 0.000 0.476 16 G N 0.760 109.597 108.800 0.062 0.000 2.543 16 G HA2 0.178 4.138 3.960 -0.000 0.000 0.267 16 G HA3 0.178 4.138 3.960 -0.000 0.000 0.267 16 G C -0.225 174.708 174.900 0.055 0.000 1.406 16 G CA -0.579 44.551 45.100 0.051 0.000 1.048 16 G HN -0.002 nan 8.290 nan 0.000 0.548 17 E N 0.266 120.493 120.200 0.046 0.000 2.373 17 E HA 0.140 4.490 4.350 -0.000 0.000 0.267 17 E C -0.170 176.474 176.600 0.073 0.000 1.032 17 E CA 0.138 56.566 56.400 0.046 0.000 0.889 17 E CB 0.967 30.686 29.700 0.032 0.000 0.984 17 E HN 0.202 nan 8.360 nan 0.000 0.425 18 K N 2.162 122.600 120.400 0.062 0.000 2.295 18 K HA 0.095 4.415 4.320 -0.000 0.000 0.270 18 K C -0.193 176.462 176.600 0.092 0.000 1.011 18 K CA 0.060 56.392 56.287 0.075 0.000 0.953 18 K CB 0.596 33.113 32.500 0.028 0.000 0.956 18 K HN 0.256 nan 8.250 nan 0.000 0.477 19 Q N 2.202 122.087 119.800 0.142 0.000 2.331 19 Q HA 0.322 4.662 4.340 -0.000 0.000 0.272 19 Q C -2.657 173.408 176.000 0.108 0.000 1.062 19 Q CA -2.067 53.833 55.803 0.162 0.000 0.806 19 Q CB 2.087 31.001 28.738 0.293 0.000 1.312 19 Q HN 0.261 nan 8.270 nan 0.000 0.431 20 P HA 0.189 nan 4.420 nan 0.000 0.279 20 P C -0.947 176.309 177.300 -0.075 0.000 1.239 20 P CA -0.262 62.773 63.100 -0.107 0.000 0.789 20 P CB 1.188 32.759 31.700 -0.216 0.000 0.933 21 V N 4.659 124.475 119.914 -0.162 0.000 2.448 21 V HA 0.306 4.426 4.120 -0.000 0.000 0.295 21 V C -0.350 175.655 176.094 -0.148 0.000 1.025 21 V CA -0.509 61.759 62.300 -0.053 0.000 0.859 21 V CB 0.882 32.682 31.823 -0.039 0.000 0.988 21 V HN 0.436 nan 8.190 nan 0.000 0.431 22 Y N 2.378 122.703 120.300 0.042 0.000 2.419 22 Y HA 0.349 4.899 4.550 -0.000 0.000 0.328 22 Y C 0.691 176.595 175.900 0.006 0.000 1.162 22 Y CA -0.407 57.715 58.100 0.037 0.000 1.174 22 Y CB 1.314 39.833 38.460 0.098 0.000 1.228 22 Y HN 0.646 nan 8.280 nan 0.000 0.473 23 N N 4.144 122.927 118.700 0.139 0.000 2.462 23 N HA 0.185 4.925 4.740 -0.000 0.000 0.242 23 N C -1.972 173.498 175.510 -0.067 0.000 1.010 23 N CA -1.897 51.172 53.050 0.031 0.000 0.939 23 N CB 0.979 39.468 38.487 0.003 0.000 1.127 23 N HN 0.315 nan 8.380 nan 0.000 0.509 24 P HA -0.108 nan 4.420 nan 0.000 0.225 24 P C 0.688 177.695 177.300 -0.487 0.000 1.148 24 P CA 0.710 63.579 63.100 -0.385 0.000 0.779 24 P CB 0.253 31.881 31.700 -0.119 0.000 0.780 25 A N 0.236 122.917 122.820 -0.232 0.000 2.016 25 A HA -0.042 4.278 4.320 -0.000 0.000 0.217 25 A C 2.083 179.653 177.584 -0.023 0.000 1.162 25 A CA 2.031 54.024 52.037 -0.074 0.000 0.662 25 A CB -1.224 17.800 19.000 0.041 0.000 0.812 25 A HN 0.376 nan 8.150 nan 0.000 0.450 26 T N -6.323 108.166 114.554 -0.108 0.000 2.959 26 T HA 0.421 4.771 4.350 -0.000 0.000 0.254 26 T C 1.415 176.050 174.700 -0.109 0.000 1.003 26 T CA 1.115 63.175 62.100 -0.067 0.000 0.950 26 T CB 0.299 69.152 68.868 -0.024 0.000 1.090 26 T HN 1.626 nan 8.240 nan 0.000 0.503 27 G N 1.744 110.409 108.800 -0.224 0.000 2.162 27 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.260 27 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.260 27 G C -0.474 174.519 174.900 0.155 0.000 0.976 27 G CA 0.194 45.209 45.100 -0.143 0.000 0.655 27 G HN 0.619 nan 8.290 nan 0.000 0.533 28 D N -0.328 120.142 120.400 0.117 0.000 2.217 28 D HA 0.515 5.155 4.640 -0.000 0.000 0.248 28 D C 0.581 176.927 176.300 0.078 0.000 1.008 28 D CA -0.495 53.577 54.000 0.119 0.000 0.914 28 D CB 1.943 42.767 40.800 0.040 0.000 1.182 28 D HN 0.049 nan 8.370 nan 0.000 0.451 29 V N 2.412 122.287 119.914 -0.064 0.000 2.508 29 V HA 0.020 4.140 4.120 -0.000 0.000 0.281 29 V C 1.619 177.623 176.094 -0.150 0.000 1.041 29 V CA 0.033 62.168 62.300 -0.274 0.000 1.016 29 V CB 0.806 32.420 31.823 -0.347 0.000 0.984 29 V HN 0.449 nan 8.190 nan 0.000 0.478 30 L N 5.505 126.644 121.223 -0.139 0.000 2.095 30 L HA 0.106 4.446 4.340 -0.000 0.000 0.204 30 L C 0.174 176.983 176.870 -0.101 0.000 1.080 30 L CA 0.957 55.745 54.840 -0.086 0.000 0.759 30 L CB 0.031 42.058 42.059 -0.054 0.000 0.914 30 L HN 0.643 nan 8.230 nan 0.000 0.439 31 L N -4.467 116.675 121.223 -0.134 0.000 3.075 31 L HA 0.429 4.769 4.340 -0.000 0.000 0.274 31 L C -1.239 175.543 176.870 -0.147 0.000 1.006 31 L CA -1.324 53.435 54.840 -0.134 0.000 0.972 31 L CB 1.217 43.203 42.059 -0.121 0.000 1.515 31 L HN -0.142 nan 8.230 nan 0.000 0.402 32 E N 1.044 121.164 120.200 -0.133 0.000 2.175 32 E HA 0.795 5.145 4.350 -0.000 0.000 0.278 32 E C -1.045 175.485 176.600 -0.116 0.000 0.969 32 E CA -0.524 55.815 56.400 -0.101 0.000 0.796 32 E CB 2.218 31.870 29.700 -0.079 0.000 1.104 32 E HN 0.560 nan 8.360 nan 0.000 0.395 33 I N 2.048 122.573 120.570 -0.075 0.000 2.498 33 I HA 0.356 4.526 4.170 -0.000 0.000 0.290 33 I C -0.218 175.953 176.117 0.090 0.000 1.032 33 I CA -0.992 60.248 61.300 -0.099 0.000 1.073 33 I CB 1.963 39.735 38.000 -0.381 0.000 1.251 33 I HN 0.493 nan 8.210 nan 0.000 0.426 34 A N 5.945 128.820 122.820 0.091 0.000 2.454 34 A HA 0.288 4.608 4.320 -0.000 0.000 0.260 34 A C 0.382 178.137 177.584 0.284 0.000 1.106 34 A CA -0.288 51.841 52.037 0.154 0.000 0.780 34 A CB 0.008 19.068 19.000 0.100 0.000 1.044 34 A HN 0.819 nan 8.150 nan 0.000 0.498 35 E N 2.229 122.600 120.200 0.284 0.000 2.369 35 E HA 0.550 4.900 4.350 -0.000 0.000 0.255 35 E C 0.235 176.924 176.600 0.148 0.000 1.172 35 E CA -0.380 56.173 56.400 0.256 0.000 0.932 35 E CB 0.726 30.418 29.700 -0.014 0.000 1.040 35 E HN 0.685 nan 8.360 nan 0.000 0.454 36 A N 1.606 124.493 122.820 0.112 0.000 2.462 36 A HA 0.218 4.538 4.320 -0.000 0.000 0.243 36 A C 0.455 178.069 177.584 0.050 0.000 1.076 36 A CA -0.007 52.077 52.037 0.079 0.000 0.773 36 A CB -0.006 19.033 19.000 0.065 0.000 1.010 36 A HN 0.682 nan 8.150 nan 0.000 0.493 37 S N 1.663 117.392 115.700 0.049 0.000 2.655 37 S HA 0.511 4.981 4.470 -0.000 0.000 0.265 37 S C 1.386 176.009 174.600 0.038 0.000 1.240 37 S CA -0.142 58.082 58.200 0.039 0.000 0.986 37 S CB 0.974 64.198 63.200 0.039 0.000 0.985 37 S HN 1.612 nan 8.310 nan 0.000 0.562 38 A N 0.505 123.347 122.820 0.036 0.000 1.908 38 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 38 A C 2.064 179.679 177.584 0.051 0.000 1.181 38 A CA 1.926 53.989 52.037 0.043 0.000 0.627 38 A CB -1.322 17.701 19.000 0.038 0.000 0.818 38 A HN 0.899 nan 8.150 nan 0.000 0.445 39 E N -0.375 119.852 120.200 0.044 0.000 2.150 39 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 39 E C 2.239 178.865 176.600 0.044 0.000 0.985 39 E CA 1.271 57.699 56.400 0.045 0.000 0.814 39 E CB -0.153 29.569 29.700 0.037 0.000 0.752 39 E HN 0.753 nan 8.360 nan 0.000 0.466 40 Q N -0.640 119.185 119.800 0.041 0.000 2.123 40 Q HA -0.085 4.255 4.340 -0.000 0.000 0.199 40 Q C 2.169 178.189 176.000 0.033 0.000 0.966 40 Q CA 1.179 57.005 55.803 0.037 0.000 0.845 40 Q CB 0.145 28.908 28.738 0.042 0.000 0.907 40 Q HN 0.175 nan 8.270 nan 0.000 0.439 41 V N 1.309 121.248 119.914 0.041 0.000 2.287 41 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 41 V C 1.841 177.955 176.094 0.033 0.000 1.053 41 V CA 2.249 64.572 62.300 0.039 0.000 1.027 41 V CB -0.595 31.264 31.823 0.059 0.000 0.646 41 V HN 0.431 nan 8.190 nan 0.000 0.447 42 D N 0.155 120.600 120.400 0.075 0.000 2.097 42 D HA -0.164 4.476 4.640 -0.000 0.000 0.195 42 D C 2.092 178.405 176.300 0.021 0.000 0.989 42 D CA 1.517 55.580 54.000 0.105 0.000 0.827 42 D CB -0.191 40.702 40.800 0.155 0.000 0.966 42 D HN 0.377 nan 8.370 nan 0.000 0.456 43 A N 0.327 123.161 122.820 0.023 0.000 1.933 43 A HA 0.016 4.336 4.320 -0.000 0.000 0.218 43 A C 2.347 179.918 177.584 -0.022 0.000 1.175 43 A CA 2.064 54.105 52.037 0.007 0.000 0.628 43 A CB -1.015 17.995 19.000 0.017 0.000 0.814 43 A HN 0.356 nan 8.150 nan 0.000 0.444 44 A N -0.614 122.188 122.820 -0.030 0.000 1.898 44 A HA 0.023 4.343 4.320 -0.000 0.000 0.216 44 A C 2.218 179.746 177.584 -0.092 0.000 1.181 44 A CA 1.715 53.724 52.037 -0.047 0.000 0.620 44 A CB -0.881 18.100 19.000 -0.031 0.000 0.819 44 A HN 0.378 nan 8.150 nan 0.000 0.442 45 V N 0.095 119.909 119.914 -0.166 0.000 2.343 45 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 45 V C 2.633 178.598 176.094 -0.214 0.000 1.051 45 V CA 2.174 64.305 62.300 -0.282 0.000 1.036 45 V CB -0.823 30.595 31.823 -0.674 0.000 0.654 45 V HN 0.511 nan 8.190 nan 0.000 0.451 46 R N 0.085 120.492 120.500 -0.155 0.000 2.096 46 R HA -0.111 4.229 4.340 -0.000 0.000 0.235 46 R C 2.443 178.730 176.300 -0.021 0.000 1.127 46 R CA 1.434 57.503 56.100 -0.052 0.000 0.968 46 R CB -0.577 29.724 30.300 0.002 0.000 0.861 46 R HN 0.539 nan 8.270 nan 0.000 0.440 47 A N 1.332 124.136 122.820 -0.026 0.000 1.902 47 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 47 A C 2.386 179.966 177.584 -0.007 0.000 1.181 47 A CA 1.676 53.707 52.037 -0.011 0.000 0.623 47 A CB -0.618 18.371 19.000 -0.018 0.000 0.818 47 A HN 0.391 nan 8.150 nan 0.000 0.443 48 A N -0.073 122.728 122.820 -0.032 0.000 1.902 48 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 48 A C 1.844 179.452 177.584 0.039 0.000 1.181 48 A CA 2.213 54.237 52.037 -0.022 0.000 0.623 48 A CB -0.759 18.203 19.000 -0.065 0.000 0.818 48 A HN 0.556 nan 8.150 nan 0.000 0.443 49 D N -0.312 120.099 120.400 0.018 0.000 2.104 49 D HA -0.054 4.586 4.640 -0.000 0.000 0.194 49 D C 2.013 178.398 176.300 0.143 0.000 0.994 49 D CA 1.730 55.773 54.000 0.071 0.000 0.830 49 D CB -0.193 40.625 40.800 0.030 0.000 0.959 49 D HN 0.341 nan 8.370 nan 0.000 0.452 50 A N 0.245 123.121 122.820 0.094 0.000 1.930 50 A HA 0.109 4.429 4.320 -0.000 0.000 0.217 50 A C 2.324 179.977 177.584 0.115 0.000 1.175 50 A CA 1.869 53.963 52.037 0.095 0.000 0.627 50 A CB -0.909 18.127 19.000 0.059 0.000 0.815 50 A HN 0.313 nan 8.150 nan 0.000 0.443 51 A N -1.375 121.514 122.820 0.116 0.000 2.015 51 A HA -0.002 4.318 4.320 -0.000 0.000 0.219 51 A C 1.911 179.635 177.584 0.232 0.000 1.163 51 A CA 1.362 53.477 52.037 0.130 0.000 0.646 51 A CB -0.680 18.359 19.000 0.065 0.000 0.806 51 A HN 0.642 nan 8.150 nan 0.000 0.448 52 F N 1.269 121.286 119.950 0.111 0.000 2.216 52 F HA -0.084 4.443 4.527 -0.000 0.000 0.300 52 F C 2.387 178.271 175.800 0.140 0.000 1.085 52 F CA 0.653 58.749 58.000 0.160 0.000 1.326 52 F CB -0.475 38.593 39.000 0.113 0.000 1.027 52 F HN 0.268 nan 8.300 nan 0.000 0.497 53 A N 0.148 122.972 122.820 0.006 0.000 1.873 53 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 53 A C 2.201 179.704 177.584 -0.137 0.000 1.193 53 A CA 2.288 54.264 52.037 -0.103 0.000 0.629 53 A CB -0.848 18.155 19.000 0.005 0.000 0.826 53 A HN 0.569 nan 8.150 nan 0.000 0.447 54 E N -1.979 118.209 120.200 -0.020 0.000 2.075 54 E HA -0.103 4.247 4.350 -0.000 0.000 0.190 54 E C 1.970 178.598 176.600 0.045 0.000 0.969 54 E CA 0.449 56.856 56.400 0.011 0.000 0.815 54 E CB -0.334 29.412 29.700 0.076 0.000 0.776 54 E HN 0.836 nan 8.360 nan 0.000 0.457 55 W N 1.722 122.982 121.300 -0.066 0.000 2.338 55 W HA -0.130 4.530 4.660 -0.000 0.000 0.304 55 W C 1.860 178.333 176.519 -0.076 0.000 1.212 55 W CA 1.643 58.980 57.345 -0.013 0.000 1.264 55 W CB -0.190 29.317 29.460 0.079 0.000 1.142 55 W HN 0.089 nan 8.180 nan 0.000 0.512 56 G N 0.167 108.808 108.800 -0.265 0.000 2.498 56 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.219 56 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.219 56 G C 1.338 176.018 174.900 -0.368 0.000 1.119 56 G CA 0.589 45.393 45.100 -0.494 0.000 0.766 56 G HN 0.448 nan 8.290 nan 0.000 0.552 57 Q N 0.203 119.822 119.800 -0.301 0.000 2.282 57 Q HA 0.076 4.416 4.340 -0.000 0.000 0.206 57 Q C 0.942 176.824 176.000 -0.195 0.000 0.878 57 Q CA 0.054 55.731 55.803 -0.210 0.000 0.944 57 Q CB 0.549 29.193 28.738 -0.157 0.000 1.100 57 Q HN 0.500 nan 8.270 nan 0.000 0.509 58 T N -0.019 114.370 114.554 -0.276 0.000 2.802 58 T HA 0.120 4.470 4.350 -0.000 0.000 0.305 58 T C 0.727 175.287 174.700 -0.233 0.000 1.053 58 T CA -0.405 61.537 62.100 -0.264 0.000 1.058 58 T CB 0.946 69.552 68.868 -0.437 0.000 0.988 58 T HN 0.146 nan 8.240 nan 0.000 0.539 59 T N -0.985 113.469 114.554 -0.167 0.000 2.882 59 T HA 0.331 4.681 4.350 -0.000 0.000 0.287 59 T C -1.879 172.734 174.700 -0.144 0.000 1.014 59 T CA -1.736 60.287 62.100 -0.128 0.000 1.049 59 T CB 0.513 69.331 68.868 -0.082 0.000 1.001 59 T HN 0.298 nan 8.240 nan 0.000 0.525 60 P HA -0.094 nan 4.420 nan 0.000 0.215 60 P C 1.591 178.857 177.300 -0.058 0.000 1.153 60 P CA 1.081 64.132 63.100 -0.081 0.000 0.853 60 P CB 0.069 31.735 31.700 -0.056 0.000 0.788 61 K N -0.054 120.316 120.400 -0.050 0.000 2.044 61 K HA -0.154 4.166 4.320 -0.000 0.000 0.210 61 K C 1.833 178.418 176.600 -0.026 0.000 1.049 61 K CA 1.674 57.941 56.287 -0.033 0.000 0.927 61 K CB -0.700 31.782 32.500 -0.030 0.000 0.713 61 K HN -0.102 nan 8.250 nan 0.000 0.443 62 V N 1.498 121.386 119.914 -0.043 0.000 2.343 62 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 62 V C 2.431 178.528 176.094 0.005 0.000 1.051 62 V CA 1.947 64.231 62.300 -0.026 0.000 1.036 62 V CB -0.513 31.282 31.823 -0.048 0.000 0.654 62 V HN 0.371 nan 8.190 nan 0.000 0.451 63 R N 0.083 120.553 120.500 -0.050 0.000 2.081 63 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 63 R C 2.463 178.852 176.300 0.148 0.000 1.131 63 R CA 1.390 57.528 56.100 0.064 0.000 0.960 63 R CB -0.652 29.594 30.300 -0.091 0.000 0.856 63 R HN 0.530 nan 8.270 nan 0.000 0.436 64 A N 1.674 124.536 122.820 0.070 0.000 1.908 64 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 64 A C 1.943 179.566 177.584 0.065 0.000 1.181 64 A CA 1.617 53.697 52.037 0.071 0.000 0.627 64 A CB -0.404 18.610 19.000 0.023 0.000 0.818 64 A HN 0.352 nan 8.150 nan 0.000 0.445 65 E N -0.937 119.284 120.200 0.035 0.000 2.110 65 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 65 E C 2.073 178.662 176.600 -0.019 0.000 0.988 65 E CA 1.285 57.691 56.400 0.009 0.000 0.804 65 E CB -0.391 29.307 29.700 -0.003 0.000 0.745 65 E HN 0.701 nan 8.360 nan 0.000 0.458 66 C N 0.613 119.898 119.300 -0.026 0.000 2.429 66 C HA -0.095 4.365 4.460 -0.000 0.000 0.277 66 C C 2.571 177.479 174.990 -0.136 0.000 1.262 66 C CA 0.419 59.303 59.018 -0.224 0.000 1.733 66 C CB -0.871 26.652 27.740 -0.362 0.000 2.010 66 C HN 0.393 nan 8.230 nan 0.000 0.483 67 L N 0.187 121.483 121.223 0.121 0.000 2.083 67 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 67 L C 2.517 179.467 176.870 0.135 0.000 1.083 67 L CA 1.261 56.247 54.840 0.243 0.000 0.752 67 L CB -0.559 41.716 42.059 0.360 0.000 0.899 67 L HN 0.383 nan 8.230 nan 0.000 0.433 68 L N -0.539 120.733 121.223 0.082 0.000 2.093 68 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 68 L C 2.728 179.602 176.870 0.008 0.000 1.085 68 L CA 0.996 55.870 54.840 0.057 0.000 0.755 68 L CB -0.480 41.602 42.059 0.039 0.000 0.904 68 L HN 0.221 nan 8.230 nan 0.000 0.435 69 K N -0.092 120.284 120.400 -0.039 0.000 2.057 69 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 69 K C 2.052 178.600 176.600 -0.086 0.000 1.049 69 K CA 1.106 57.352 56.287 -0.070 0.000 0.931 69 K CB -0.603 31.825 32.500 -0.120 0.000 0.714 69 K HN 0.143 nan 8.250 nan 0.000 0.440 70 L N 1.393 122.539 121.223 -0.128 0.000 2.046 70 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 70 L C 2.240 178.960 176.870 -0.249 0.000 1.077 70 L CA 1.819 56.534 54.840 -0.208 0.000 0.747 70 L CB -0.881 41.004 42.059 -0.290 0.000 0.896 70 L HN 0.156 nan 8.230 nan 0.000 0.432 71 A N -0.789 121.943 122.820 -0.146 0.000 1.908 71 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 71 A C 2.004 179.597 177.584 0.014 0.000 1.181 71 A CA 1.963 53.993 52.037 -0.011 0.000 0.627 71 A CB -0.839 18.242 19.000 0.134 0.000 0.818 71 A HN 0.529 nan 8.150 nan 0.000 0.445 72 D N -0.379 120.027 120.400 0.010 0.000 2.144 72 D HA -0.095 4.545 4.640 -0.000 0.000 0.199 72 D C 2.055 178.376 176.300 0.035 0.000 0.984 72 D CA 1.379 55.395 54.000 0.026 0.000 0.834 72 D CB -0.391 40.418 40.800 0.014 0.000 0.955 72 D HN 0.231 nan 8.370 nan 0.000 0.465 73 V N 1.082 121.006 119.914 0.017 0.000 2.358 73 V HA -0.185 3.935 4.120 -0.000 0.000 0.246 73 V C 2.499 178.670 176.094 0.129 0.000 1.047 73 V CA 0.995 63.326 62.300 0.052 0.000 1.035 73 V CB -0.272 31.569 31.823 0.030 0.000 0.658 73 V HN 0.167 nan 8.190 nan 0.000 0.452 74 I N -0.058 120.576 120.570 0.107 0.000 2.226 74 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 74 I C 2.578 178.820 176.117 0.209 0.000 1.100 74 I CA 1.871 63.285 61.300 0.190 0.000 1.374 74 I CB -0.361 37.632 38.000 -0.012 0.000 1.057 74 I HN 0.392 nan 8.210 nan 0.000 0.413 75 E N 1.225 121.502 120.200 0.129 0.000 2.085 75 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 75 E C 1.958 178.643 176.600 0.141 0.000 0.994 75 E CA 1.477 57.950 56.400 0.121 0.000 0.801 75 E CB 0.040 29.791 29.700 0.085 0.000 0.743 75 E HN 0.489 nan 8.360 nan 0.000 0.453 76 E N -0.343 119.931 120.200 0.122 0.000 2.347 76 E HA -0.109 4.241 4.350 -0.000 0.000 0.196 76 E C 0.539 177.210 176.600 0.119 0.000 1.008 76 E CA 0.673 57.136 56.400 0.105 0.000 0.852 76 E CB 0.012 29.754 29.700 0.071 0.000 0.783 76 E HN 0.257 nan 8.360 nan 0.000 0.505 77 N N -0.480 118.321 118.700 0.169 0.000 2.328 77 N HA 0.080 4.819 4.740 -0.000 0.000 0.247 77 N C 1.035 176.706 175.510 0.268 0.000 1.165 77 N CA -0.032 53.097 53.050 0.132 0.000 0.873 77 N CB 1.120 39.609 38.487 0.004 0.000 1.125 77 N HN 0.076 nan 8.380 nan 0.000 0.513 78 G N 0.539 109.532 108.800 0.322 0.000 2.446 78 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.217 78 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.217 78 G C 1.480 176.681 174.900 0.501 0.000 1.168 78 G CA 0.709 46.061 45.100 0.420 0.000 0.771 78 G HN 0.241 nan 8.290 nan 0.000 0.551 79 Q N -0.017 120.016 119.800 0.389 0.000 2.050 79 Q HA -0.073 4.267 4.340 -0.000 0.000 0.202 79 Q C 3.040 179.096 176.000 0.093 0.000 0.980 79 Q CA 1.304 57.192 55.803 0.143 0.000 0.840 79 Q CB -0.577 28.137 28.738 -0.041 0.000 0.898 79 Q HN 0.401 nan 8.270 nan 0.000 0.424 80 V N 0.507 120.447 119.914 0.043 0.000 2.295 80 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 80 V C 2.125 178.218 176.094 -0.002 0.000 1.049 80 V CA 1.637 63.907 62.300 -0.050 0.000 1.024 80 V CB -0.724 30.990 31.823 -0.182 0.000 0.648 80 V HN 0.172 nan 8.190 nan 0.000 0.447 81 F N 0.874 120.883 119.950 0.098 0.000 2.102 81 F HA -0.141 4.386 4.527 -0.000 0.000 0.298 81 F C 2.449 178.319 175.800 0.117 0.000 1.105 81 F CA 1.345 59.406 58.000 0.102 0.000 1.239 81 F CB -1.134 37.933 39.000 0.113 0.000 0.991 81 F HN 0.090 nan 8.300 nan 0.000 0.474 82 A N -0.268 122.768 122.820 0.359 0.000 1.908 82 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 82 A C 2.150 179.837 177.584 0.172 0.000 1.181 82 A CA 1.896 54.104 52.037 0.285 0.000 0.627 82 A CB -0.773 18.470 19.000 0.406 0.000 0.818 82 A HN 0.455 nan 8.150 nan 0.000 0.445 83 E N -0.248 120.022 120.200 0.117 0.000 2.072 83 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 83 E C 1.987 178.625 176.600 0.063 0.000 0.985 83 E CA 1.058 57.493 56.400 0.059 0.000 0.801 83 E CB -0.286 29.423 29.700 0.015 0.000 0.750 83 E HN 0.626 nan 8.360 nan 0.000 0.452 84 L N 0.720 121.990 121.223 0.079 0.000 2.017 84 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 84 L C 2.574 179.502 176.870 0.096 0.000 1.073 84 L CA 1.222 56.109 54.840 0.078 0.000 0.745 84 L CB -0.263 41.853 42.059 0.096 0.000 0.894 84 L HN 0.095 nan 8.230 nan 0.000 0.432 85 E N -0.415 119.864 120.200 0.132 0.000 2.110 85 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 85 E C 2.348 178.992 176.600 0.074 0.000 0.988 85 E CA 1.353 57.823 56.400 0.115 0.000 0.804 85 E CB -0.032 29.751 29.700 0.138 0.000 0.745 85 E HN 0.237 nan 8.360 nan 0.000 0.458 86 S N -0.534 115.207 115.700 0.068 0.000 2.368 86 S HA -0.112 4.358 4.470 -0.000 0.000 0.224 86 S C 1.950 176.565 174.600 0.024 0.000 1.029 86 S CA 1.084 59.306 58.200 0.037 0.000 0.988 86 S CB -0.100 63.124 63.200 0.040 0.000 0.838 86 S HN 0.208 nan 8.310 nan 0.000 0.462 87 R N 0.652 121.170 120.500 0.031 0.000 2.090 87 R HA 0.046 4.386 4.340 -0.000 0.000 0.228 87 R C 2.178 178.490 176.300 0.021 0.000 1.110 87 R CA 1.303 57.414 56.100 0.019 0.000 0.973 87 R CB -0.407 29.903 30.300 0.016 0.000 0.869 87 R HN 0.378 nan 8.270 nan 0.000 0.440 88 N N 0.088 118.811 118.700 0.037 0.000 2.300 88 N HA -0.080 4.660 4.740 -0.000 0.000 0.179 88 N C 1.055 176.592 175.510 0.046 0.000 1.016 88 N CA 1.025 54.105 53.050 0.050 0.000 0.876 88 N CB 0.121 38.650 38.487 0.069 0.000 0.979 88 N HN 0.168 nan 8.380 nan 0.000 0.432 89 C N -1.942 117.377 119.300 0.031 0.000 3.230 89 C HA 0.505 4.965 4.460 -0.000 0.000 0.300 89 C C 1.480 176.449 174.990 -0.036 0.000 1.292 89 C CA 0.033 59.058 59.018 0.012 0.000 1.707 89 C CB -0.245 27.505 27.740 0.017 0.000 2.181 89 C HN 0.549 nan 8.230 nan 0.000 0.655 90 G N 2.127 110.903 108.800 -0.039 0.000 2.162 90 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.260 90 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.260 90 G C 0.053 174.912 174.900 -0.068 0.000 0.976 90 G CA 0.395 45.455 45.100 -0.068 0.000 0.655 90 G HN 0.688 nan 8.290 nan 0.000 0.533 91 K N 0.335 120.695 120.400 -0.066 0.000 2.326 91 K HA 0.408 4.728 4.320 -0.000 0.000 0.275 91 K C -2.734 173.819 176.600 -0.080 0.000 1.018 91 K CA -1.732 54.495 56.287 -0.099 0.000 0.962 91 K CB 0.792 33.227 32.500 -0.108 0.000 0.953 91 K HN 0.027 nan 8.250 nan 0.000 0.475 92 P HA -0.108 nan 4.420 nan 0.000 0.261 92 P C 0.661 177.868 177.300 -0.155 0.000 1.183 92 P CA -0.130 62.887 63.100 -0.139 0.000 0.761 92 P CB 0.321 31.852 31.700 -0.281 0.000 0.785 93 L N 5.556 126.762 121.223 -0.028 0.000 2.079 93 L HA -0.223 4.116 4.340 -0.000 0.000 0.210 93 L C 2.227 179.152 176.870 0.091 0.000 1.081 93 L CA 2.172 57.037 54.840 0.041 0.000 0.752 93 L CB -1.337 40.761 42.059 0.064 0.000 0.896 93 L HN 0.551 nan 8.230 nan 0.000 0.433 94 H N -2.968 116.183 119.070 0.136 0.000 2.421 94 H HA -0.006 4.550 4.556 -0.000 0.000 0.298 94 H C 1.951 177.411 175.328 0.220 0.000 1.087 94 H CA 1.393 57.552 56.048 0.185 0.000 1.330 94 H CB -0.860 28.986 29.762 0.140 0.000 1.388 94 H HN 0.293 nan 8.280 nan 0.000 0.526 95 S N 0.426 115.916 115.700 -0.349 0.000 2.357 95 S HA 0.003 4.473 4.470 -0.000 0.000 0.221 95 S C 2.502 177.178 174.600 0.127 0.000 1.031 95 S CA 0.703 58.884 58.200 -0.032 0.000 0.982 95 S CB -0.500 62.627 63.200 -0.122 0.000 0.853 95 S HN 0.720 nan 8.310 nan 0.000 0.458 96 A N 1.079 123.954 122.820 0.091 0.000 1.883 96 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 96 A C 1.930 179.645 177.584 0.218 0.000 1.186 96 A CA 1.558 53.689 52.037 0.157 0.000 0.624 96 A CB -0.865 18.219 19.000 0.141 0.000 0.822 96 A HN 0.484 nan 8.150 nan 0.000 0.444 97 F N 1.151 121.161 119.950 0.099 0.000 2.128 97 F HA -0.097 4.430 4.527 -0.000 0.000 0.295 97 F C 2.000 177.873 175.800 0.122 0.000 1.100 97 F CA 1.884 59.953 58.000 0.114 0.000 1.260 97 F CB -0.157 38.910 39.000 0.112 0.000 1.009 97 F HN 0.200 nan 8.300 nan 0.000 0.476 98 N N 0.185 118.952 118.700 0.112 0.000 2.376 98 N HA -0.087 4.653 4.740 -0.000 0.000 0.177 98 N C 1.083 176.606 175.510 0.021 0.000 1.024 98 N CA 1.334 54.395 53.050 0.017 0.000 0.893 98 N CB -0.245 38.350 38.487 0.180 0.000 0.980 98 N HN 0.367 nan 8.380 nan 0.000 0.439 99 D N 0.610 121.067 120.400 0.094 0.000 2.414 99 D HA 0.026 4.666 4.640 -0.000 0.000 0.237 99 D C 1.698 178.033 176.300 0.059 0.000 0.975 99 D CA 0.603 54.661 54.000 0.097 0.000 0.917 99 D CB -0.186 40.736 40.800 0.203 0.000 1.061 99 D HN 0.268 nan 8.370 nan 0.000 0.480 100 E N 0.784 121.040 120.200 0.094 0.000 2.046 100 E HA -0.071 4.279 4.350 -0.000 0.000 0.190 100 E C 2.181 178.795 176.600 0.024 0.000 0.982 100 E CA 0.424 56.864 56.400 0.066 0.000 0.800 100 E CB 0.140 29.914 29.700 0.124 0.000 0.756 100 E HN 0.122 nan 8.360 nan 0.000 0.449 101 I N 1.375 121.951 120.570 0.011 0.000 2.118 101 I HA -0.196 3.974 4.170 -0.000 0.000 0.241 101 I C -0.553 175.552 176.117 -0.020 0.000 1.070 101 I CA 1.474 62.769 61.300 -0.008 0.000 1.327 101 I CB -2.388 35.585 38.000 -0.044 0.000 1.034 101 I HN 0.020 nan 8.210 nan 0.000 0.405 102 P HA -0.101 nan 4.420 nan 0.000 0.216 102 P C 1.687 178.998 177.300 0.017 0.000 1.150 102 P CA 1.970 65.054 63.100 -0.027 0.000 0.837 102 P CB -0.033 31.636 31.700 -0.052 0.000 0.786 103 A N -0.737 122.091 122.820 0.014 0.000 1.933 103 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 103 A C 2.210 179.842 177.584 0.080 0.000 1.175 103 A CA 1.345 53.403 52.037 0.035 0.000 0.628 103 A CB -1.569 17.439 19.000 0.013 0.000 0.814 103 A HN 0.108 nan 8.150 nan 0.000 0.444 104 I N -0.466 120.148 120.570 0.073 0.000 2.179 104 I HA -0.220 3.950 4.170 -0.000 0.000 0.242 104 I C 2.361 178.617 176.117 0.232 0.000 1.088 104 I CA 1.208 62.581 61.300 0.121 0.000 1.357 104 I CB -0.414 37.628 38.000 0.071 0.000 1.051 104 I HN 0.150 nan 8.210 nan 0.000 0.409 105 V N 0.868 120.894 119.914 0.187 0.000 2.332 105 V HA -0.357 3.763 4.120 -0.000 0.000 0.248 105 V C 2.183 178.417 176.094 0.235 0.000 1.055 105 V CA 2.438 64.871 62.300 0.222 0.000 1.038 105 V CB -0.711 31.187 31.823 0.125 0.000 0.651 105 V HN 0.471 nan 8.190 nan 0.000 0.450 106 D N -0.366 120.128 120.400 0.157 0.000 2.178 106 D HA -0.145 4.495 4.640 -0.000 0.000 0.201 106 D C 1.997 178.401 176.300 0.173 0.000 0.980 106 D CA 1.150 55.234 54.000 0.139 0.000 0.842 106 D CB -0.037 40.807 40.800 0.074 0.000 0.948 106 D HN 0.219 nan 8.370 nan 0.000 0.472 107 V N -0.225 119.787 119.914 0.164 0.000 2.295 107 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 107 V C 2.029 178.257 176.094 0.222 0.000 1.049 107 V CA 1.517 63.912 62.300 0.158 0.000 1.024 107 V CB -0.623 31.269 31.823 0.116 0.000 0.648 107 V HN 0.248 nan 8.190 nan 0.000 0.447 108 F N 0.051 120.165 119.950 0.274 0.000 2.134 108 F HA -0.132 4.395 4.527 -0.000 0.000 0.299 108 F C 2.642 178.564 175.800 0.203 0.000 1.097 108 F CA 1.552 59.703 58.000 0.252 0.000 1.264 108 F CB -0.338 38.767 39.000 0.176 0.000 1.001 108 F HN -0.026 nan 8.300 nan 0.000 0.479 109 R N -0.737 119.958 120.500 0.325 0.000 2.075 109 R HA -0.167 4.173 4.340 -0.000 0.000 0.232 109 R C 2.199 178.573 176.300 0.123 0.000 1.126 109 R CA 1.605 57.822 56.100 0.195 0.000 0.963 109 R CB -0.817 29.574 30.300 0.151 0.000 0.858 109 R HN 0.287 nan 8.270 nan 0.000 0.435 110 F N 0.813 120.762 119.950 -0.002 0.000 2.069 110 F HA -0.194 4.333 4.527 -0.000 0.000 0.298 110 F C 1.716 177.405 175.800 -0.185 0.000 1.113 110 F CA 1.511 59.420 58.000 -0.152 0.000 1.214 110 F CB -0.402 38.412 39.000 -0.310 0.000 0.978 110 F HN -0.140 nan 8.300 nan 0.000 0.474 111 F N 0.284 120.167 119.950 -0.112 0.000 2.293 111 F HA -0.047 4.480 4.527 -0.000 0.000 0.300 111 F C 2.511 178.229 175.800 -0.137 0.000 1.086 111 F CA 0.790 58.679 58.000 -0.185 0.000 1.375 111 F CB -0.918 38.084 39.000 0.002 0.000 1.045 111 F HN 0.112 nan 8.300 nan 0.000 0.516 112 A N 0.344 123.228 122.820 0.107 0.000 1.902 112 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 112 A C 2.538 180.095 177.584 -0.046 0.000 1.181 112 A CA 1.882 53.964 52.037 0.075 0.000 0.623 112 A CB -1.528 17.531 19.000 0.098 0.000 0.818 112 A HN 0.393 nan 8.150 nan 0.000 0.443 113 G N -0.779 107.925 108.800 -0.160 0.000 2.402 113 G HA2 0.075 4.035 3.960 -0.000 0.000 0.216 113 G HA3 0.075 4.035 3.960 -0.000 0.000 0.216 113 G C 1.714 176.453 174.900 -0.268 0.000 1.162 113 G CA 1.260 46.236 45.100 -0.205 0.000 0.777 113 G HN 0.801 nan 8.290 nan 0.000 0.539 114 A N 1.150 123.689 122.820 -0.468 0.000 2.015 114 A HA 0.336 4.656 4.320 -0.000 0.000 0.219 114 A C 2.743 180.241 177.584 -0.144 0.000 1.163 114 A CA 1.894 53.688 52.037 -0.406 0.000 0.646 114 A CB -0.624 17.968 19.000 -0.679 0.000 0.806 114 A HN 0.765 nan 8.150 nan 0.000 0.448 115 A N 0.038 122.817 122.820 -0.068 0.000 2.032 115 A HA -0.179 4.141 4.320 -0.000 0.000 0.221 115 A C 2.090 179.655 177.584 -0.032 0.000 1.165 115 A CA 1.537 53.571 52.037 -0.005 0.000 0.645 115 A CB -0.367 18.648 19.000 0.025 0.000 0.807 115 A HN 0.584 nan 8.150 nan 0.000 0.453 116 R N -1.899 118.568 120.500 -0.056 0.000 2.362 116 R HA 0.164 4.504 4.340 -0.000 0.000 0.227 116 R C -0.079 176.190 176.300 -0.052 0.000 0.905 116 R CA 0.268 56.339 56.100 -0.050 0.000 1.067 116 R CB 0.018 30.288 30.300 -0.048 0.000 1.078 116 R HN 0.459 nan 8.270 nan 0.000 0.516 117 C N 1.330 120.591 119.300 -0.064 0.000 2.660 117 C HA 0.373 4.833 4.460 -0.000 0.000 0.265 117 C C 0.304 175.265 174.990 -0.049 0.000 1.573 117 C CA -0.890 58.092 59.018 -0.061 0.000 1.751 117 C CB -0.933 26.756 27.740 -0.085 0.000 3.033 117 C HN 0.317 nan 8.230 nan 0.000 0.511 118 L N 2.302 123.506 121.223 -0.032 0.000 2.367 118 L HA 0.190 4.530 4.340 -0.000 0.000 0.275 118 L C 0.603 177.464 176.870 -0.015 0.000 1.129 118 L CA 0.575 55.403 54.840 -0.019 0.000 0.839 118 L CB 0.222 42.280 42.059 -0.001 0.000 1.133 118 L HN 0.504 nan 8.230 nan 0.000 0.453 119 N N 1.219 119.910 118.700 -0.016 0.000 2.408 119 N HA 0.554 5.294 4.740 -0.000 0.000 0.260 119 N C -0.067 175.445 175.510 0.004 0.000 1.242 119 N CA 0.129 53.174 53.050 -0.008 0.000 0.959 119 N CB 1.748 40.228 38.487 -0.012 0.000 1.201 119 N HN 0.734 nan 8.380 nan 0.000 0.511 120 G N -0.357 108.448 108.800 0.009 0.000 2.634 120 G HA2 0.424 4.384 3.960 -0.000 0.000 0.309 120 G HA3 0.424 4.384 3.960 -0.000 0.000 0.309 120 G C -1.526 173.382 174.900 0.013 0.000 1.299 120 G CA -0.623 44.485 45.100 0.012 0.000 0.798 120 G HN 0.343 nan 8.290 nan 0.000 0.490 121 L N 0.772 122.001 121.223 0.010 0.000 2.360 121 L HA 0.660 5.000 4.340 -0.000 0.000 0.271 121 L C 1.051 177.959 176.870 0.064 0.000 1.057 121 L CA -0.938 53.913 54.840 0.018 0.000 0.803 121 L CB 1.694 43.727 42.059 -0.042 0.000 1.207 121 L HN 0.730 nan 8.230 nan 0.000 0.445 122 A N 1.900 124.782 122.820 0.104 0.000 2.546 122 A HA 0.458 4.777 4.320 -0.000 0.000 0.243 122 A C 0.431 178.136 177.584 0.202 0.000 1.063 122 A CA -0.048 52.066 52.037 0.128 0.000 0.757 122 A CB 0.088 19.160 19.000 0.120 0.000 0.991 122 A HN 0.797 nan 8.150 nan 0.000 0.503 123 A N 2.020 124.930 122.820 0.150 0.000 2.386 123 A HA 0.711 5.031 4.320 -0.000 0.000 0.248 123 A C 0.871 178.547 177.584 0.153 0.000 1.082 123 A CA 0.565 52.711 52.037 0.182 0.000 0.789 123 A CB 0.196 19.267 19.000 0.118 0.000 1.025 123 A HN 2.576 nan 8.150 nan 0.000 0.490 124 G N 0.172 109.073 108.800 0.169 0.000 2.327 124 G HA2 0.442 4.402 3.960 -0.000 0.000 0.291 124 G HA3 0.442 4.402 3.960 -0.000 0.000 0.291 124 G C -1.747 173.145 174.900 -0.015 0.000 1.290 124 G CA -0.840 44.256 45.100 -0.007 0.000 0.857 124 G HN 0.609 nan 8.290 nan 0.000 0.520 125 E N 0.421 120.539 120.200 -0.136 0.000 1.993 125 E HA 0.493 4.843 4.350 -0.000 0.000 0.271 125 E C -0.351 176.144 176.600 -0.176 0.000 1.008 125 E CA -0.413 55.962 56.400 -0.041 0.000 0.814 125 E CB 0.719 30.438 29.700 0.032 0.000 1.098 125 E HN 0.457 nan 8.360 nan 0.000 0.407 126 Y N 1.482 121.809 120.300 0.045 0.000 2.490 126 Y HA 0.165 4.715 4.550 -0.000 0.000 0.285 126 Y C 0.404 176.303 175.900 -0.001 0.000 1.117 126 Y CA -0.139 57.970 58.100 0.015 0.000 1.262 126 Y CB 0.572 39.032 38.460 -0.001 0.000 1.043 126 Y HN 0.315 nan 8.280 nan 0.000 0.553 127 L N 0.574 121.869 121.223 0.121 0.000 2.381 127 L HA 0.384 4.724 4.340 -0.000 0.000 0.274 127 L C -0.495 176.419 176.870 0.072 0.000 0.988 127 L CA -1.167 53.688 54.840 0.026 0.000 0.824 127 L CB 1.373 43.353 42.059 -0.131 0.000 1.263 127 L HN -0.038 nan 8.230 nan 0.000 0.410 128 E N 3.745 123.986 120.200 0.069 0.000 2.529 128 E HA 0.289 4.639 4.350 -0.000 0.000 0.259 128 E C 0.909 177.604 176.600 0.158 0.000 0.966 128 E CA 1.152 57.605 56.400 0.089 0.000 0.937 128 E CB 0.216 29.954 29.700 0.063 0.000 0.923 128 E HN 0.994 nan 8.360 nan 0.000 0.468 129 G N 3.321 112.147 108.800 0.043 0.000 2.148 129 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.254 129 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.254 129 G C -0.229 174.221 174.900 -0.750 0.000 0.981 129 G CA 0.015 44.991 45.100 -0.207 0.000 0.670 129 G HN 0.727 nan 8.290 nan 0.000 0.528 130 H N -0.171 118.614 119.070 -0.474 0.000 2.782 130 H HA 0.424 4.980 4.556 -0.000 0.000 0.347 130 H C -0.768 174.466 175.328 -0.156 0.000 1.038 130 H CA -0.362 55.462 56.048 -0.373 0.000 1.255 130 H CB 1.846 31.532 29.762 -0.127 0.000 1.623 130 H HN 0.111 nan 8.280 nan 0.000 0.525 131 T N 2.643 117.228 114.554 0.053 0.000 2.767 131 T HA 0.240 4.590 4.350 -0.000 0.000 0.288 131 T C 0.302 175.117 174.700 0.192 0.000 0.963 131 T CA -0.319 61.898 62.100 0.195 0.000 1.019 131 T CB 0.779 69.798 68.868 0.250 0.000 0.923 131 T HN 0.407 nan 8.240 nan 0.000 0.468 132 S N 3.927 119.785 115.700 0.264 0.000 2.509 132 S HA 0.757 5.227 4.470 -0.000 0.000 0.297 132 S C -0.067 174.689 174.600 0.260 0.000 1.118 132 S CA -0.955 57.429 58.200 0.308 0.000 1.074 132 S CB 0.901 64.374 63.200 0.456 0.000 1.038 132 S HN 0.788 nan 8.310 nan 0.000 0.498 133 M N 1.468 121.201 119.600 0.221 0.000 2.593 133 M HA 0.685 5.165 4.480 -0.000 0.000 0.290 133 M C -1.862 174.533 176.300 0.158 0.000 1.244 133 M CA -0.929 54.468 55.300 0.161 0.000 0.857 133 M CB 1.394 34.058 32.600 0.108 0.000 1.738 133 M HN 0.253 nan 8.290 nan 0.000 0.461 134 I N 2.477 123.105 120.570 0.098 0.000 2.406 134 I HA 0.540 4.710 4.170 -0.000 0.000 0.290 134 I C -0.446 175.702 176.117 0.052 0.000 0.999 134 I CA -0.418 60.924 61.300 0.070 0.000 1.124 134 I CB 1.815 39.830 38.000 0.025 0.000 1.289 134 I HN 0.863 nan 8.210 nan 0.000 0.441 135 R N 5.760 126.290 120.500 0.049 0.000 2.828 135 R HA 0.710 5.050 4.340 -0.000 0.000 0.264 135 R C -0.552 175.769 176.300 0.034 0.000 1.022 135 R CA -1.010 55.111 56.100 0.035 0.000 1.021 135 R CB 1.977 32.296 30.300 0.032 0.000 1.163 135 R HN 0.417 nan 8.270 nan 0.000 0.494 136 R N 1.253 121.771 120.500 0.030 0.000 2.412 136 R HA 0.291 4.631 4.340 -0.000 0.000 0.304 136 R C -1.202 175.122 176.300 0.040 0.000 1.066 136 R CA -0.674 55.448 56.100 0.037 0.000 0.923 136 R CB 1.268 31.590 30.300 0.036 0.000 1.156 136 R HN 0.532 nan 8.270 nan 0.000 0.513 137 D N 3.206 123.637 120.400 0.052 0.000 2.326 137 D HA 0.366 5.006 4.640 -0.000 0.000 0.251 137 D C -2.217 174.146 176.300 0.106 0.000 1.023 137 D CA -1.806 52.234 54.000 0.068 0.000 0.966 137 D CB 1.659 42.501 40.800 0.070 0.000 1.156 137 D HN 0.112 nan 8.370 nan 0.000 0.494 138 P HA 0.196 nan 4.420 nan 0.000 0.274 138 P C 0.599 178.022 177.300 0.206 0.000 1.246 138 P CA -0.321 62.908 63.100 0.216 0.000 0.795 138 P CB 1.068 32.987 31.700 0.366 0.000 1.006 139 L N -0.484 120.794 121.223 0.091 0.000 2.168 139 L HA 0.301 4.641 4.340 -0.000 0.000 0.203 139 L C 1.661 178.368 176.870 -0.272 0.000 1.078 139 L CA 1.481 56.307 54.840 -0.023 0.000 0.780 139 L CB -0.749 41.295 42.059 -0.025 0.000 0.939 139 L HN 0.710 nan 8.230 nan 0.000 0.451 140 G N -0.932 107.511 108.800 -0.594 0.000 2.174 140 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.070 140 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.070 140 G C -1.127 173.366 174.900 -0.679 0.000 1.120 140 G CA -0.371 43.940 45.100 -1.315 0.000 1.194 140 G HN -0.212 nan 8.290 nan 0.000 0.435 141 V N 1.419 121.099 119.914 -0.389 0.000 2.432 141 V HA 0.580 4.700 4.120 -0.000 0.000 0.275 141 V C 0.275 176.309 176.094 -0.101 0.000 1.043 141 V CA -0.459 61.727 62.300 -0.190 0.000 0.925 141 V CB 1.157 32.896 31.823 -0.140 0.000 0.985 141 V HN 0.645 nan 8.190 nan 0.000 0.466 142 V N 4.381 124.264 119.914 -0.051 0.000 2.459 142 V HA 0.704 4.824 4.120 -0.000 0.000 0.295 142 V C 0.423 176.518 176.094 0.003 0.000 1.029 142 V CA -0.599 61.707 62.300 0.011 0.000 0.874 142 V CB 1.695 33.565 31.823 0.078 0.000 0.985 142 V HN 0.965 nan 8.190 nan 0.000 0.438 143 A N 3.827 126.661 122.820 0.024 0.000 2.274 143 A HA 0.755 5.075 4.320 -0.000 0.000 0.309 143 A C 0.133 177.747 177.584 0.050 0.000 1.226 143 A CA -0.295 51.757 52.037 0.026 0.000 0.853 143 A CB 0.567 19.587 19.000 0.034 0.000 1.146 143 A HN 0.746 nan 8.150 nan 0.000 0.518 144 S N 2.151 117.876 115.700 0.040 0.000 2.473 144 S HA 0.623 5.093 4.470 -0.000 0.000 0.307 144 S C -0.505 174.128 174.600 0.056 0.000 1.094 144 S CA -0.328 57.905 58.200 0.056 0.000 1.070 144 S CB 0.926 64.147 63.200 0.034 0.000 1.019 144 S HN 0.566 nan 8.310 nan 0.000 0.480 145 I N 2.667 123.277 120.570 0.066 0.000 2.410 145 I HA 0.500 4.670 4.170 -0.000 0.000 0.286 145 I C 0.052 176.202 176.117 0.056 0.000 1.009 145 I CA -0.668 60.668 61.300 0.059 0.000 1.111 145 I CB 1.441 39.475 38.000 0.057 0.000 1.262 145 I HN 0.659 nan 8.210 nan 0.000 0.443 146 A N 9.374 132.226 122.820 0.054 0.000 2.312 146 A HA 0.853 5.173 4.320 -0.000 0.000 0.328 146 A C -2.476 175.120 177.584 0.020 0.000 1.158 146 A CA -1.438 50.623 52.037 0.040 0.000 0.821 146 A CB 0.766 19.796 19.000 0.048 0.000 1.170 146 A HN 0.432 nan 8.150 nan 0.000 0.490 147 P HA 0.179 nan 4.420 nan 0.000 0.282 147 P C 0.303 177.555 177.300 -0.080 0.000 1.287 147 P CA -0.434 62.567 63.100 -0.165 0.000 0.792 147 P CB 0.565 32.084 31.700 -0.302 0.000 1.163 148 W N 0.630 121.951 121.300 0.035 0.000 3.211 148 W HA 0.049 4.709 4.660 -0.000 0.000 0.292 148 W C 0.947 177.462 176.519 -0.007 0.000 1.268 148 W CA 0.129 57.490 57.345 0.027 0.000 1.702 148 W CB -1.367 28.107 29.460 0.024 0.000 1.092 148 W HN 0.237 nan 8.180 nan 0.000 0.643 149 N N 1.781 120.405 118.700 -0.126 0.000 2.250 149 N HA -0.193 4.547 4.740 -0.000 0.000 0.181 149 N C -0.363 174.940 175.510 -0.345 0.000 1.017 149 N CA 0.978 53.952 53.050 -0.127 0.000 0.866 149 N CB -1.086 37.230 38.487 -0.285 0.000 0.985 149 N HN 0.184 nan 8.380 nan 0.000 0.429 150 Y N -0.282 119.994 120.300 -0.039 0.000 2.592 150 Y HA 0.429 4.979 4.550 -0.000 0.000 0.354 150 Y C -1.883 173.964 175.900 -0.089 0.000 1.063 150 Y CA -1.992 56.061 58.100 -0.079 0.000 1.205 150 Y CB 2.077 40.421 38.460 -0.194 0.000 1.106 150 Y HN -0.036 nan 8.280 nan 0.000 0.649 151 P HA -0.209 nan 4.420 nan 0.000 0.214 151 P C 1.827 179.151 177.300 0.040 0.000 1.163 151 P CA 1.325 64.473 63.100 0.079 0.000 0.883 151 P CB 0.665 32.437 31.700 0.119 0.000 0.788 152 L N -1.819 119.424 121.223 0.034 0.000 2.072 152 L HA -0.102 4.238 4.340 -0.000 0.000 0.205 152 L C 2.434 179.264 176.870 -0.067 0.000 1.079 152 L CA 1.462 56.290 54.840 -0.018 0.000 0.752 152 L CB -0.537 41.482 42.059 -0.067 0.000 0.906 152 L HN 0.003 nan 8.230 nan 0.000 0.436 153 M N -1.111 118.420 119.600 -0.115 0.000 2.065 153 M HA -0.290 4.190 4.480 -0.000 0.000 0.259 153 M C 2.288 178.292 176.300 -0.493 0.000 1.069 153 M CA 1.799 56.913 55.300 -0.311 0.000 1.110 153 M CB -0.140 32.198 32.600 -0.437 0.000 1.328 153 M HN 0.263 nan 8.290 nan 0.000 0.405 154 M N -0.535 118.835 119.600 -0.384 0.000 2.175 154 M HA -0.098 4.382 4.480 -0.000 0.000 0.264 154 M C 2.372 178.634 176.300 -0.063 0.000 1.063 154 M CA 1.657 56.789 55.300 -0.279 0.000 1.119 154 M CB -1.640 30.873 32.600 -0.144 0.000 1.377 154 M HN 0.327 nan 8.290 nan 0.000 0.415 155 A N 0.184 122.984 122.820 -0.033 0.000 1.902 155 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 155 A C 2.436 180.045 177.584 0.042 0.000 1.181 155 A CA 2.167 54.220 52.037 0.027 0.000 0.623 155 A CB -0.914 18.114 19.000 0.048 0.000 0.818 155 A HN 0.466 nan 8.150 nan 0.000 0.443 156 A N -1.429 121.405 122.820 0.023 0.000 1.902 156 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 156 A C 1.900 179.442 177.584 -0.070 0.000 1.181 156 A CA 1.507 53.498 52.037 -0.077 0.000 0.623 156 A CB -0.877 18.053 19.000 -0.117 0.000 0.818 156 A HN 0.706 nan 8.150 nan 0.000 0.443 157 W N 0.292 121.486 121.300 -0.176 0.000 2.364 157 W HA -0.063 4.597 4.660 -0.000 0.000 0.281 157 W C 2.118 178.529 176.519 -0.179 0.000 1.219 157 W CA 1.413 58.678 57.345 -0.134 0.000 1.220 157 W CB -0.349 29.089 29.460 -0.037 0.000 1.127 157 W HN 0.364 nan 8.180 nan 0.000 0.556 158 K N -0.873 119.569 120.400 0.069 0.000 2.202 158 K HA 0.049 4.369 4.320 -0.000 0.000 0.201 158 K C 2.070 178.528 176.600 -0.235 0.000 1.051 158 K CA 0.537 56.790 56.287 -0.056 0.000 0.977 158 K CB -0.447 32.073 32.500 0.035 0.000 0.792 158 K HN 0.031 nan 8.250 nan 0.000 0.469 159 L N 0.696 121.831 121.223 -0.148 0.000 2.027 159 L HA -0.136 4.204 4.340 -0.000 0.000 0.206 159 L C 2.559 179.301 176.870 -0.214 0.000 1.074 159 L CA 1.216 55.971 54.840 -0.142 0.000 0.745 159 L CB -0.567 41.525 42.059 0.055 0.000 0.898 159 L HN 0.187 nan 8.230 nan 0.000 0.433 160 A N 0.822 123.467 122.820 -0.292 0.000 1.859 160 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 160 A C 0.007 177.265 177.584 -0.544 0.000 1.198 160 A CA 2.144 53.989 52.037 -0.319 0.000 0.629 160 A CB -2.007 16.696 19.000 -0.495 0.000 0.830 160 A HN 0.305 nan 8.150 nan 0.000 0.446 161 P HA -0.102 nan 4.420 nan 0.000 0.217 161 P C 1.618 178.517 177.300 -0.669 0.000 1.150 161 P CA 1.949 64.446 63.100 -1.006 0.000 0.832 161 P CB -0.211 30.861 31.700 -1.047 0.000 0.787 162 A N 0.303 122.549 122.820 -0.955 0.000 1.877 162 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 162 A C 2.453 179.921 177.584 -0.193 0.000 1.186 162 A CA 1.529 53.115 52.037 -0.751 0.000 0.620 162 A CB -1.632 16.922 19.000 -0.743 0.000 0.822 162 A HN 0.124 nan 8.150 nan 0.000 0.443 163 L N -0.930 120.225 121.223 -0.114 0.000 2.056 163 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 163 L C 3.078 180.109 176.870 0.268 0.000 1.078 163 L CA 0.926 55.873 54.840 0.178 0.000 0.749 163 L CB -0.563 41.555 42.059 0.099 0.000 0.901 163 L HN 0.421 nan 8.230 nan 0.000 0.433 164 A N 0.202 123.090 122.820 0.113 0.000 1.978 164 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 164 A C 2.418 180.039 177.584 0.062 0.000 1.170 164 A CA 1.735 53.840 52.037 0.114 0.000 0.636 164 A CB -0.606 18.457 19.000 0.104 0.000 0.810 164 A HN 0.404 nan 8.150 nan 0.000 0.448 165 A N -2.085 120.764 122.820 0.049 0.000 2.167 165 A HA 0.387 4.707 4.320 -0.000 0.000 0.214 165 A C 1.806 179.428 177.584 0.063 0.000 1.151 165 A CA 1.360 53.437 52.037 0.066 0.000 0.735 165 A CB -0.755 18.313 19.000 0.113 0.000 0.802 165 A HN 1.909 nan 8.150 nan 0.000 0.467 166 G N -1.028 107.819 108.800 0.078 0.000 2.144 166 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.218 166 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.218 166 G C -0.174 174.933 174.900 0.345 0.000 0.988 166 G CA 0.073 45.158 45.100 -0.026 0.000 0.659 166 G HN 0.615 nan 8.290 nan 0.000 0.522 167 N N -0.778 118.169 118.700 0.411 0.000 2.476 167 N HA 0.648 5.388 4.740 -0.000 0.000 0.275 167 N C 0.175 175.925 175.510 0.399 0.000 1.190 167 N CA -0.026 53.252 53.050 0.380 0.000 0.977 167 N CB 1.074 39.646 38.487 0.142 0.000 1.200 167 N HN 0.237 nan 8.380 nan 0.000 0.515 168 C N 0.718 120.144 119.300 0.211 0.000 2.366 168 C HA 0.658 5.118 4.460 -0.000 0.000 0.345 168 C C 0.006 174.953 174.990 -0.073 0.000 1.209 168 C CA -0.649 58.372 59.018 0.004 0.000 2.050 168 C CB 0.461 28.222 27.740 0.036 0.000 2.359 168 C HN 0.334 nan 8.230 nan 0.000 0.527 169 V N 2.729 122.558 119.914 -0.142 0.000 2.656 169 V HA 0.543 4.663 4.120 -0.000 0.000 0.307 169 V C -0.563 175.468 176.094 -0.104 0.000 1.051 169 V CA -0.442 61.786 62.300 -0.120 0.000 0.893 169 V CB 1.946 33.676 31.823 -0.154 0.000 0.999 169 V HN 0.673 nan 8.190 nan 0.000 0.426 170 V N 5.491 125.364 119.914 -0.068 0.000 2.378 170 V HA 0.464 4.584 4.120 -0.000 0.000 0.288 170 V C -0.464 175.617 176.094 -0.021 0.000 1.016 170 V CA -0.496 61.775 62.300 -0.049 0.000 0.840 170 V CB 1.473 33.269 31.823 -0.047 0.000 0.994 170 V HN 0.656 nan 8.190 nan 0.000 0.431 171 L N 5.533 126.749 121.223 -0.011 0.000 2.295 171 L HA 0.641 4.981 4.340 -0.000 0.000 0.285 171 L C -0.286 176.609 176.870 0.041 0.000 1.035 171 L CA 0.135 54.984 54.840 0.014 0.000 0.806 171 L CB 1.204 43.270 42.059 0.012 0.000 1.214 171 L HN 0.454 nan 8.230 nan 0.000 0.426 172 K N 7.107 127.538 120.400 0.052 0.000 2.483 172 K HA 0.512 4.832 4.320 -0.000 0.000 0.256 172 K C -2.765 173.887 176.600 0.086 0.000 0.961 172 K CA -1.878 54.450 56.287 0.067 0.000 0.873 172 K CB 2.000 34.527 32.500 0.046 0.000 1.107 172 K HN 0.437 nan 8.250 nan 0.000 0.432 173 P HA 0.044 nan 4.420 nan 0.000 0.276 173 P C -0.116 177.279 177.300 0.158 0.000 1.261 173 P CA -0.413 62.776 63.100 0.147 0.000 0.800 173 P CB 0.771 32.587 31.700 0.193 0.000 1.066 174 S N 0.063 115.870 115.700 0.178 0.000 2.568 174 S HA -0.019 4.451 4.470 -0.000 0.000 0.282 174 S C 1.608 176.349 174.600 0.235 0.000 1.338 174 S CA -0.349 57.973 58.200 0.205 0.000 1.045 174 S CB -0.102 63.284 63.200 0.310 0.000 0.873 174 S HN 0.478 nan 8.310 nan 0.000 0.516 175 E N 3.691 123.984 120.200 0.154 0.000 2.265 175 E HA -0.149 4.201 4.350 -0.000 0.000 0.196 175 E C 1.523 178.311 176.600 0.313 0.000 0.996 175 E CA 0.878 57.372 56.400 0.158 0.000 0.832 175 E CB -0.263 29.424 29.700 -0.021 0.000 0.756 175 E HN 0.653 nan 8.360 nan 0.000 0.491 176 I N 2.066 122.773 120.570 0.228 0.000 2.500 176 I HA -0.074 4.096 4.170 -0.000 0.000 0.252 176 I C 1.337 177.572 176.117 0.197 0.000 1.142 176 I CA 1.350 62.753 61.300 0.171 0.000 1.451 176 I CB -0.779 37.234 38.000 0.021 0.000 1.093 176 I HN 0.126 nan 8.210 nan 0.000 0.430 177 T N -1.405 113.293 114.554 0.241 0.000 3.542 177 T HA 0.352 4.702 4.350 -0.000 0.000 0.276 177 T C -1.909 172.908 174.700 0.194 0.000 1.412 177 T CA -1.104 61.117 62.100 0.202 0.000 1.664 177 T CB 1.230 70.231 68.868 0.222 0.000 0.863 177 T HN 0.029 nan 8.240 nan 0.000 0.661 178 P HA 0.257 nan 4.420 nan 0.000 0.257 178 P C 1.549 178.891 177.300 0.070 0.000 1.241 178 P CA -0.227 62.961 63.100 0.147 0.000 0.816 178 P CB 0.345 32.084 31.700 0.065 0.000 1.150 179 L N 0.587 121.845 121.223 0.058 0.000 1.989 179 L HA -0.152 4.188 4.340 -0.000 0.000 0.211 179 L C 2.706 179.643 176.870 0.110 0.000 1.071 179 L CA 2.642 57.512 54.840 0.050 0.000 0.749 179 L CB -1.872 40.212 42.059 0.042 0.000 0.890 179 L HN 0.114 nan 8.230 nan 0.000 0.431 180 T N -2.562 112.092 114.554 0.166 0.000 2.833 180 T HA -0.093 4.257 4.350 -0.000 0.000 0.269 180 T C 1.874 176.738 174.700 0.273 0.000 1.054 180 T CA 0.914 63.185 62.100 0.285 0.000 1.135 180 T CB -0.317 68.722 68.868 0.284 0.000 0.869 180 T HN 0.332 nan 8.240 nan 0.000 0.466 181 A N 1.428 124.351 122.820 0.171 0.000 1.929 181 A HA 0.290 4.610 4.320 -0.000 0.000 0.216 181 A C 2.393 180.055 177.584 0.130 0.000 1.176 181 A CA 0.837 52.961 52.037 0.145 0.000 0.628 181 A CB -0.693 18.382 19.000 0.125 0.000 0.816 181 A HN 0.533 nan 8.150 nan 0.000 0.444 182 L N -0.988 120.295 121.223 0.099 0.000 2.156 182 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 182 L C 2.505 179.407 176.870 0.053 0.000 1.095 182 L CA 1.536 56.408 54.840 0.053 0.000 0.770 182 L CB -0.324 41.735 42.059 -0.001 0.000 0.914 182 L HN 0.349 nan 8.230 nan 0.000 0.439 183 K N 0.949 121.403 120.400 0.090 0.000 2.097 183 K HA -0.187 4.132 4.320 -0.000 0.000 0.205 183 K C 1.961 178.649 176.600 0.146 0.000 1.050 183 K CA 1.202 57.516 56.287 0.046 0.000 0.938 183 K CB -0.333 32.134 32.500 -0.056 0.000 0.718 183 K HN 0.035 nan 8.250 nan 0.000 0.442 184 L N 0.599 122.017 121.223 0.326 0.000 2.046 184 L HA -0.016 4.324 4.340 -0.000 0.000 0.208 184 L C 2.098 179.059 176.870 0.152 0.000 1.077 184 L CA 2.135 57.169 54.840 0.322 0.000 0.747 184 L CB -1.074 41.118 42.059 0.222 0.000 0.896 184 L HN 0.249 nan 8.230 nan 0.000 0.432 185 A N -0.789 122.092 122.820 0.102 0.000 1.883 185 A HA -0.294 4.026 4.320 -0.000 0.000 0.217 185 A C 2.346 179.951 177.584 0.035 0.000 1.186 185 A CA 1.998 54.067 52.037 0.053 0.000 0.624 185 A CB -0.813 18.207 19.000 0.034 0.000 0.822 185 A HN 0.631 nan 8.150 nan 0.000 0.444 186 E N -0.103 120.110 120.200 0.022 0.000 2.051 186 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 186 E C 1.948 178.554 176.600 0.010 0.000 0.991 186 E CA 1.421 57.818 56.400 -0.005 0.000 0.799 186 E CB -0.213 29.466 29.700 -0.034 0.000 0.748 186 E HN 0.644 nan 8.360 nan 0.000 0.449 187 L N -0.043 121.201 121.223 0.035 0.000 2.217 187 L HA -0.018 4.322 4.340 -0.000 0.000 0.211 187 L C 2.344 179.242 176.870 0.048 0.000 1.107 187 L CA 0.826 55.690 54.840 0.040 0.000 0.783 187 L CB -0.128 41.975 42.059 0.073 0.000 0.919 187 L HN 0.127 nan 8.230 nan 0.000 0.442 188 A N -0.569 122.290 122.820 0.065 0.000 2.308 188 A HA -0.029 4.291 4.320 -0.000 0.000 0.217 188 A C 2.215 179.845 177.584 0.077 0.000 1.216 188 A CA 0.068 52.150 52.037 0.076 0.000 0.864 188 A CB -0.167 18.892 19.000 0.098 0.000 0.902 188 A HN 0.238 nan 8.150 nan 0.000 0.499 189 K N 0.476 120.902 120.400 0.044 0.000 2.107 189 K HA -0.243 4.077 4.320 -0.000 0.000 0.211 189 K C 0.267 176.885 176.600 0.029 0.000 1.049 189 K CA 2.085 58.389 56.287 0.029 0.000 0.927 189 K CB -0.126 32.380 32.500 0.009 0.000 0.714 189 K HN 0.362 nan 8.250 nan 0.000 0.452 190 D N -0.303 120.107 120.400 0.016 0.000 2.369 190 D HA 0.100 4.740 4.640 -0.000 0.000 0.211 190 D C 1.577 177.861 176.300 -0.026 0.000 1.077 190 D CA 0.102 54.102 54.000 -0.000 0.000 0.842 190 D CB 0.292 41.086 40.800 -0.010 0.000 0.947 190 D HN 0.302 nan 8.370 nan 0.000 0.509 191 I N -0.286 120.265 120.570 -0.032 0.000 2.406 191 I HA -0.105 4.065 4.170 -0.000 0.000 0.249 191 I C 0.508 176.410 176.117 -0.357 0.000 1.122 191 I CA 0.845 62.029 61.300 -0.192 0.000 1.431 191 I CB 0.149 38.005 38.000 -0.239 0.000 1.087 191 I HN -0.187 nan 8.210 nan 0.000 0.424 192 F N 0.379 120.265 119.950 -0.105 0.000 2.483 192 F HA 0.432 4.959 4.527 -0.000 0.000 0.329 192 F C -2.038 173.664 175.800 -0.162 0.000 1.064 192 F CA -2.715 55.168 58.000 -0.195 0.000 0.986 192 F CB -0.093 38.688 39.000 -0.365 0.000 1.218 192 F HN -0.325 nan 8.300 nan 0.000 0.484 193 P HA 0.147 nan 4.420 nan 0.000 0.270 193 P C -1.040 176.249 177.300 -0.018 0.000 1.223 193 P CA -0.429 62.682 63.100 0.018 0.000 0.785 193 P CB 0.336 32.075 31.700 0.065 0.000 0.923 194 A N 1.976 124.795 122.820 -0.002 0.000 2.566 194 A HA 0.370 4.690 4.320 -0.000 0.000 0.245 194 A C 1.555 179.121 177.584 -0.030 0.000 1.056 194 A CA 0.906 52.936 52.037 -0.012 0.000 0.757 194 A CB -1.553 17.449 19.000 0.002 0.000 0.979 194 A HN 0.902 nan 8.150 nan 0.000 0.508 195 G N 1.141 109.909 108.800 -0.052 0.000 2.217 195 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.246 195 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.246 195 G C 0.924 175.753 174.900 -0.119 0.000 0.990 195 G CA 0.534 45.597 45.100 -0.061 0.000 0.627 195 G HN 1.244 nan 8.290 nan 0.000 0.522 196 V N -0.230 119.560 119.914 -0.207 0.000 2.453 196 V HA 0.210 4.330 4.120 -0.000 0.000 0.247 196 V C 1.515 177.353 176.094 -0.426 0.000 1.048 196 V CA 1.905 63.957 62.300 -0.413 0.000 1.049 196 V CB 0.494 31.841 31.823 -0.794 0.000 0.672 196 V HN 0.776 nan 8.190 nan 0.000 0.457 197 V N 1.417 121.125 119.914 -0.344 0.000 2.588 197 V HA 0.542 4.662 4.120 -0.000 0.000 0.304 197 V C -1.178 174.825 176.094 -0.153 0.000 1.042 197 V CA -0.619 61.504 62.300 -0.296 0.000 0.877 197 V CB 1.866 33.455 31.823 -0.389 0.000 0.996 197 V HN 0.490 nan 8.190 nan 0.000 0.425 198 N N 6.660 125.293 118.700 -0.111 0.000 2.225 198 N HA 0.607 5.347 4.740 -0.000 0.000 0.298 198 N C -1.448 174.044 175.510 -0.030 0.000 1.076 198 N CA -0.434 52.581 53.050 -0.058 0.000 0.792 198 N CB 2.795 41.251 38.487 -0.051 0.000 1.498 198 N HN 0.534 nan 8.380 nan 0.000 0.474 199 I N 2.518 123.088 120.570 0.001 0.000 2.447 199 I HA 0.389 4.559 4.170 -0.000 0.000 0.287 199 I C -0.326 175.828 176.117 0.062 0.000 1.023 199 I CA -0.500 60.819 61.300 0.033 0.000 1.083 199 I CB 1.665 39.691 38.000 0.043 0.000 1.245 199 I HN 0.235 nan 8.210 nan 0.000 0.434 200 L N 5.191 126.463 121.223 0.082 0.000 2.374 200 L HA 0.663 5.003 4.340 -0.000 0.000 0.268 200 L C -1.001 175.995 176.870 0.210 0.000 1.026 200 L CA -0.941 53.968 54.840 0.115 0.000 0.813 200 L CB 1.871 43.972 42.059 0.071 0.000 1.380 200 L HN 0.454 nan 8.230 nan 0.000 0.474 201 F N -0.425 119.551 119.950 0.042 0.000 2.608 201 F HA 0.750 5.277 4.527 -0.000 0.000 0.309 201 F C -0.324 175.505 175.800 0.049 0.000 1.103 201 F CA 0.033 58.063 58.000 0.051 0.000 0.954 201 F CB 2.129 41.162 39.000 0.055 0.000 1.267 201 F HN 0.530 nan 8.300 nan 0.000 0.444 202 G N 3.958 112.130 108.800 -1.047 0.000 2.356 202 G HA2 0.261 4.221 3.960 -0.000 0.000 0.300 202 G HA3 0.261 4.221 3.960 -0.000 0.000 0.300 202 G C -1.920 172.684 174.900 -0.493 0.000 1.331 202 G CA -1.367 43.209 45.100 -0.872 0.000 0.905 202 G HN 0.817 nan 8.290 nan 0.000 0.587 203 R N -0.544 119.771 120.500 -0.308 0.000 2.637 203 R HA 0.488 4.828 4.340 -0.000 0.000 0.269 203 R C 1.861 178.104 176.300 -0.095 0.000 1.089 203 R CA 0.204 56.208 56.100 -0.159 0.000 1.177 203 R CB 0.647 30.883 30.300 -0.108 0.000 1.091 203 R HN 0.741 nan 8.270 nan 0.000 0.540 204 G N 1.095 109.862 108.800 -0.056 0.000 2.446 204 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.217 204 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.217 204 G C 1.114 175.998 174.900 -0.027 0.000 1.168 204 G CA 0.648 45.732 45.100 -0.027 0.000 0.771 204 G HN 0.361 nan 8.290 nan 0.000 0.551 205 K N -0.360 120.011 120.400 -0.049 0.000 2.103 205 K HA -0.032 4.288 4.320 -0.000 0.000 0.204 205 K C 2.555 179.139 176.600 -0.027 0.000 1.052 205 K CA 1.407 57.667 56.287 -0.044 0.000 0.945 205 K CB -0.378 32.089 32.500 -0.056 0.000 0.722 205 K HN 0.366 nan 8.250 nan 0.000 0.443 206 T N -0.467 114.066 114.554 -0.035 0.000 3.051 206 T HA 0.065 4.415 4.350 -0.000 0.000 0.255 206 T C 1.546 176.236 174.700 -0.016 0.000 1.085 206 T CA 0.452 62.538 62.100 -0.024 0.000 1.109 206 T CB 0.357 69.205 68.868 -0.034 0.000 0.921 206 T HN -0.103 nan 8.240 nan 0.000 0.488 207 V N -0.464 119.433 119.914 -0.029 0.000 3.159 207 V HA 0.369 4.489 4.120 -0.000 0.000 0.234 207 V C 2.743 178.845 176.094 0.012 0.000 1.313 207 V CA 0.687 62.978 62.300 -0.015 0.000 1.271 207 V CB -0.464 31.324 31.823 -0.058 0.000 1.053 207 V HN 0.419 nan 8.190 nan 0.000 0.476 208 G N 0.314 109.118 108.800 0.006 0.000 2.421 208 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.216 208 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.216 208 G C 1.102 176.043 174.900 0.069 0.000 1.171 208 G CA 1.354 46.476 45.100 0.037 0.000 0.775 208 G HN 0.463 nan 8.290 nan 0.000 0.543 209 D N 1.265 121.696 120.400 0.052 0.000 2.092 209 D HA -0.062 4.578 4.640 -0.000 0.000 0.193 209 D C 0.171 176.583 176.300 0.186 0.000 0.994 209 D CA 1.155 55.187 54.000 0.053 0.000 0.828 209 D CB -1.259 39.499 40.800 -0.069 0.000 0.963 209 D HN 0.248 nan 8.370 nan 0.000 0.450 210 P HA -0.079 nan 4.420 nan 0.000 0.220 210 P C 1.611 179.003 177.300 0.154 0.000 1.148 210 P CA 0.594 63.777 63.100 0.139 0.000 0.803 210 P CB 0.079 31.837 31.700 0.097 0.000 0.782 211 L N 0.207 121.505 121.223 0.125 0.000 2.007 211 L HA -0.095 4.245 4.340 -0.000 0.000 0.205 211 L C 2.179 179.122 176.870 0.122 0.000 1.073 211 L CA 2.725 57.631 54.840 0.110 0.000 0.744 211 L CB -1.942 40.157 42.059 0.066 0.000 0.898 211 L HN 0.026 nan 8.230 nan 0.000 0.435 212 T N -3.451 111.178 114.554 0.125 0.000 2.962 212 T HA -0.028 4.322 4.350 -0.000 0.000 0.270 212 T C 1.651 176.403 174.700 0.088 0.000 1.088 212 T CA 0.804 62.973 62.100 0.115 0.000 1.127 212 T CB -1.017 67.931 68.868 0.134 0.000 0.883 212 T HN 0.432 nan 8.240 nan 0.000 0.493 213 G N -0.148 108.712 108.800 0.101 0.000 3.088 213 G HA2 0.069 4.029 3.960 -0.000 0.000 0.217 213 G HA3 0.069 4.029 3.960 -0.000 0.000 0.217 213 G C 0.330 175.217 174.900 -0.023 0.000 1.159 213 G CA -0.471 44.589 45.100 -0.067 0.000 0.760 213 G HN 0.582 nan 8.290 nan 0.000 0.550 214 H N 1.886 120.946 119.070 -0.016 0.000 2.886 214 H HA 0.083 4.639 4.556 -0.000 0.000 0.329 214 H C -1.154 174.156 175.328 -0.029 0.000 1.044 214 H CA -1.232 54.807 56.048 -0.014 0.000 1.456 214 H CB 2.090 31.852 29.762 -0.001 0.000 1.464 214 H HN 0.025 nan 8.280 nan 0.000 0.573 215 P HA -0.120 nan 4.420 nan 0.000 0.219 215 P C 0.601 177.972 177.300 0.118 0.000 1.146 215 P CA 1.333 64.429 63.100 -0.005 0.000 0.808 215 P CB 0.336 31.985 31.700 -0.084 0.000 0.779 216 K N -0.604 119.996 120.400 0.333 0.000 2.444 216 K HA 0.127 4.447 4.320 -0.000 0.000 0.193 216 K C 0.404 177.033 176.600 0.049 0.000 1.024 216 K CA -0.051 56.328 56.287 0.153 0.000 1.077 216 K CB 0.197 32.772 32.500 0.125 0.000 0.833 216 K HN 0.014 nan 8.250 nan 0.000 0.517 217 V N 2.336 122.295 119.914 0.074 0.000 2.508 217 V HA 0.047 4.167 4.120 -0.000 0.000 0.281 217 V C 1.137 177.227 176.094 -0.007 0.000 1.041 217 V CA 0.023 62.330 62.300 0.010 0.000 1.016 217 V CB 1.208 33.053 31.823 0.036 0.000 0.984 217 V HN 0.225 nan 8.190 nan 0.000 0.478 218 R N 3.198 123.676 120.500 -0.037 0.000 2.254 218 R HA 0.383 4.723 4.340 -0.000 0.000 0.193 218 R C 0.188 176.476 176.300 -0.020 0.000 0.929 218 R CA 0.392 56.470 56.100 -0.038 0.000 1.038 218 R CB 0.358 30.614 30.300 -0.074 0.000 1.009 218 R HN 0.654 nan 8.270 nan 0.000 0.512 219 M N 0.319 119.916 119.600 -0.006 0.000 2.470 219 M HA 0.348 4.828 4.480 -0.000 0.000 0.285 219 M C -1.774 174.550 176.300 0.039 0.000 1.213 219 M CA -0.667 54.640 55.300 0.012 0.000 0.901 219 M CB 2.765 35.367 32.600 0.004 0.000 1.718 219 M HN -0.304 nan 8.290 nan 0.000 0.469 220 V N 2.238 122.184 119.914 0.053 0.000 2.487 220 V HA 0.538 4.658 4.120 -0.000 0.000 0.298 220 V C -0.673 175.482 176.094 0.101 0.000 1.028 220 V CA -0.579 61.764 62.300 0.072 0.000 0.860 220 V CB 1.810 33.671 31.823 0.063 0.000 0.991 220 V HN 0.839 nan 8.190 nan 0.000 0.427 221 S N 5.152 120.925 115.700 0.123 0.000 2.456 221 S HA 0.813 5.283 4.470 -0.000 0.000 0.316 221 S C -1.072 173.616 174.600 0.147 0.000 1.089 221 S CA -0.451 57.854 58.200 0.174 0.000 1.101 221 S CB 0.944 64.267 63.200 0.205 0.000 0.995 221 S HN 0.657 nan 8.310 nan 0.000 0.468 222 L N 4.710 126.013 121.223 0.133 0.000 2.408 222 L HA 0.749 5.089 4.340 -0.000 0.000 0.268 222 L C -0.815 176.096 176.870 0.068 0.000 0.986 222 L CA 0.088 54.976 54.840 0.080 0.000 0.820 222 L CB 2.380 44.462 42.059 0.040 0.000 1.303 222 L HN 0.576 nan 8.230 nan 0.000 0.411 223 T N 3.945 118.531 114.554 0.054 0.000 2.792 223 T HA 0.901 5.250 4.350 -0.000 0.000 0.280 223 T C -0.086 174.584 174.700 -0.049 0.000 0.990 223 T CA 0.028 62.144 62.100 0.027 0.000 0.960 223 T CB 1.350 70.260 68.868 0.070 0.000 0.939 223 T HN 1.066 nan 8.240 nan 0.000 0.439 224 G N 1.729 110.474 108.800 -0.091 0.000 2.364 224 G HA2 0.516 4.476 3.960 -0.000 0.000 0.286 224 G HA3 0.516 4.476 3.960 -0.000 0.000 0.286 224 G C -0.702 174.104 174.900 -0.157 0.000 1.241 224 G CA -0.386 44.626 45.100 -0.148 0.000 0.887 224 G HN 0.851 nan 8.290 nan 0.000 0.484 225 S N -0.810 114.812 115.700 -0.130 0.000 2.652 225 S HA 0.507 4.977 4.470 -0.000 0.000 0.270 225 S C 1.432 176.001 174.600 -0.051 0.000 1.243 225 S CA -0.309 57.830 58.200 -0.103 0.000 0.999 225 S CB 1.386 64.542 63.200 -0.074 0.000 0.973 225 S HN 0.543 nan 8.310 nan 0.000 0.544 226 I N 1.210 121.763 120.570 -0.029 0.000 2.208 226 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 226 I C 2.842 178.951 176.117 -0.013 0.000 1.097 226 I CA 1.661 62.946 61.300 -0.025 0.000 1.363 226 I CB -0.807 37.176 38.000 -0.027 0.000 1.051 226 I HN 0.884 nan 8.210 nan 0.000 0.413 227 A N 0.141 122.958 122.820 -0.006 0.000 1.908 227 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 227 A C 2.377 179.979 177.584 0.030 0.000 1.181 227 A CA 2.519 54.560 52.037 0.007 0.000 0.627 227 A CB -1.092 17.906 19.000 -0.003 0.000 0.818 227 A HN 0.397 nan 8.150 nan 0.000 0.445 228 T N -0.340 114.225 114.554 0.019 0.000 2.777 228 T HA -0.008 4.342 4.350 -0.000 0.000 0.266 228 T C 1.986 176.734 174.700 0.079 0.000 1.040 228 T CA 1.336 63.469 62.100 0.055 0.000 1.141 228 T CB -0.633 68.249 68.868 0.023 0.000 0.868 228 T HN 0.588 nan 8.240 nan 0.000 0.444 229 G N 1.461 110.275 108.800 0.024 0.000 2.446 229 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.217 229 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.217 229 G C 1.396 176.313 174.900 0.028 0.000 1.168 229 G CA 1.234 46.335 45.100 0.003 0.000 0.771 229 G HN 0.674 nan 8.290 nan 0.000 0.551 230 E N -0.278 119.945 120.200 0.039 0.000 2.077 230 E HA -0.264 4.086 4.350 -0.000 0.000 0.193 230 E C 2.080 178.728 176.600 0.080 0.000 0.989 230 E CA 1.208 57.637 56.400 0.048 0.000 0.800 230 E CB -0.656 29.069 29.700 0.041 0.000 0.746 230 E HN 0.649 nan 8.360 nan 0.000 0.452 231 H N 1.072 120.146 119.070 0.007 0.000 2.321 231 H HA -0.122 4.434 4.556 -0.000 0.000 0.300 231 H C 2.155 177.511 175.328 0.047 0.000 1.087 231 H CA 1.916 57.970 56.048 0.011 0.000 1.319 231 H CB 0.071 29.822 29.762 -0.018 0.000 1.379 231 H HN 0.246 nan 8.280 nan 0.000 0.501 232 I N 1.031 121.568 120.570 -0.056 0.000 2.179 232 I HA -0.270 3.900 4.170 -0.000 0.000 0.242 232 I C 2.819 178.924 176.117 -0.019 0.000 1.088 232 I CA 0.967 62.228 61.300 -0.064 0.000 1.357 232 I CB -0.914 37.103 38.000 0.027 0.000 1.051 232 I HN 0.294 nan 8.210 nan 0.000 0.409 233 I N 1.079 121.655 120.570 0.010 0.000 2.151 233 I HA -0.310 3.860 4.170 -0.000 0.000 0.243 233 I C 2.658 178.777 176.117 0.003 0.000 1.080 233 I CA 1.643 62.958 61.300 0.024 0.000 1.339 233 I CB -0.363 37.667 38.000 0.049 0.000 1.039 233 I HN 0.187 nan 8.210 nan 0.000 0.409 234 S N -0.723 114.976 115.700 -0.003 0.000 2.382 234 S HA -0.257 4.213 4.470 -0.000 0.000 0.228 234 S C 1.942 176.542 174.600 -0.001 0.000 1.027 234 S CA 1.356 59.556 58.200 0.000 0.000 0.991 234 S CB -0.528 62.682 63.200 0.017 0.000 0.823 234 S HN 0.500 nan 8.310 nan 0.000 0.469 235 H N 1.891 120.857 119.070 -0.173 0.000 2.428 235 H HA -0.007 4.549 4.556 -0.000 0.000 0.296 235 H C 2.171 177.439 175.328 -0.100 0.000 1.062 235 H CA 1.811 57.750 56.048 -0.181 0.000 1.350 235 H CB -0.275 29.282 29.762 -0.343 0.000 1.403 235 H HN 0.499 nan 8.280 nan 0.000 0.533 236 T N -3.141 111.351 114.554 -0.103 0.000 3.107 236 T HA 0.319 4.669 4.350 -0.000 0.000 0.249 236 T C 2.119 176.769 174.700 -0.084 0.000 1.096 236 T CA 0.328 62.356 62.100 -0.119 0.000 1.012 236 T CB -0.180 68.659 68.868 -0.049 0.000 0.977 236 T HN 0.336 nan 8.240 nan 0.000 0.527 237 A N 2.916 125.698 122.820 -0.063 0.000 1.903 237 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 237 A C 2.700 180.253 177.584 -0.052 0.000 1.191 237 A CA 2.508 54.518 52.037 -0.045 0.000 0.638 237 A CB -1.400 17.581 19.000 -0.031 0.000 0.823 237 A HN 0.804 nan 8.150 nan 0.000 0.451 238 S N -0.114 115.544 115.700 -0.070 0.000 2.440 238 S HA -0.101 4.368 4.470 -0.000 0.000 0.238 238 S C 1.485 176.049 174.600 -0.060 0.000 1.010 238 S CA 1.609 59.771 58.200 -0.063 0.000 0.972 238 S CB -0.604 62.551 63.200 -0.074 0.000 0.774 238 S HN 1.102 nan 8.310 nan 0.000 0.501 239 S N 0.645 116.305 115.700 -0.067 0.000 2.663 239 S HA 0.401 4.871 4.470 -0.000 0.000 0.243 239 S C 0.567 175.143 174.600 -0.040 0.000 1.009 239 S CA -0.329 57.839 58.200 -0.052 0.000 0.988 239 S CB -0.517 62.648 63.200 -0.059 0.000 0.896 239 S HN 0.406 nan 8.310 nan 0.000 0.502 240 I N 0.476 121.023 120.570 -0.039 0.000 6.450 240 I HA -0.254 3.916 4.170 -0.000 0.000 0.126 240 I C 0.173 176.274 176.117 -0.027 0.000 1.777 240 I CA 0.792 62.072 61.300 -0.032 0.000 2.236 240 I CB -2.704 35.278 38.000 -0.030 0.000 3.397 240 I HN 0.528 nan 8.210 nan 0.000 0.226 241 K N 1.445 121.830 120.400 -0.025 0.000 2.380 241 K HA 0.191 4.511 4.320 -0.000 0.000 0.267 241 K C 1.030 177.627 176.600 -0.005 0.000 0.990 241 K CA -0.583 55.695 56.287 -0.015 0.000 0.946 241 K CB 0.922 33.416 32.500 -0.010 0.000 0.937 241 K HN 0.131 nan 8.250 nan 0.000 0.491 242 R N 1.515 122.012 120.500 -0.004 0.000 2.539 242 R HA 0.128 4.468 4.340 -0.000 0.000 0.275 242 R C -0.173 176.151 176.300 0.040 0.000 1.077 242 R CA 0.190 56.291 56.100 0.002 0.000 1.097 242 R CB 0.959 31.248 30.300 -0.018 0.000 1.018 242 R HN 0.861 nan 8.270 nan 0.000 0.483 243 T N -0.331 114.282 114.554 0.097 0.000 2.906 243 T HA 0.397 4.747 4.350 -0.000 0.000 0.295 243 T C -0.995 173.873 174.700 0.280 0.000 1.075 243 T CA -0.838 61.365 62.100 0.171 0.000 1.005 243 T CB 2.035 71.022 68.868 0.199 0.000 1.136 243 T HN 0.731 nan 8.240 nan 0.000 0.498 244 H N 0.652 119.760 119.070 0.064 0.000 3.018 244 H HA 0.693 5.249 4.556 -0.000 0.000 0.334 244 H C -1.461 173.810 175.328 -0.094 0.000 0.983 244 H CA -0.669 55.382 56.048 0.006 0.000 1.363 244 H CB 1.397 31.108 29.762 -0.084 0.000 1.668 244 H HN 0.713 nan 8.280 nan 0.000 0.513 245 M N 3.707 123.038 119.600 -0.447 0.000 2.324 245 M HA 0.269 4.749 4.480 -0.000 0.000 0.288 245 M C -1.505 174.577 176.300 -0.363 0.000 1.097 245 M CA -0.547 54.520 55.300 -0.387 0.000 0.928 245 M CB 2.344 34.634 32.600 -0.516 0.000 1.648 245 M HN 0.549 nan 8.290 nan 0.000 0.460 246 E N 4.788 124.895 120.200 -0.155 0.000 2.186 246 E HA 0.350 4.700 4.350 -0.000 0.000 0.255 246 E C -1.042 175.529 176.600 -0.048 0.000 0.881 246 E CA -0.089 56.266 56.400 -0.075 0.000 0.752 246 E CB 1.088 30.831 29.700 0.071 0.000 1.176 246 E HN 0.775 nan 8.360 nan 0.000 0.421 247 L N 2.830 124.017 121.223 -0.061 0.000 2.965 247 L HA 0.429 4.769 4.340 -0.000 0.000 0.254 247 L C 0.703 177.578 176.870 0.007 0.000 1.220 247 L CA -0.158 54.654 54.840 -0.047 0.000 1.023 247 L CB 0.408 42.425 42.059 -0.070 0.000 1.355 247 L HN 0.649 nan 8.230 nan 0.000 0.545 248 G N -0.634 108.191 108.800 0.041 0.000 2.459 248 G HA2 0.278 4.238 3.960 -0.000 0.000 0.685 248 G HA3 0.278 4.238 3.960 -0.000 0.000 0.685 248 G C -0.758 174.258 174.900 0.193 0.000 1.303 248 G CA -0.521 44.628 45.100 0.083 0.000 0.907 248 G HN 0.336 nan 8.290 nan 0.000 0.632 249 G N -1.038 107.806 108.800 0.073 0.000 2.649 249 G HA2 0.815 4.775 3.960 -0.000 0.000 0.290 249 G HA3 0.815 4.775 3.960 -0.000 0.000 0.290 249 G C -0.873 173.789 174.900 -0.396 0.000 1.426 249 G CA 0.067 45.162 45.100 -0.008 0.000 0.794 249 G HN 1.295 nan 8.290 nan 0.000 0.483 250 K N -0.117 120.118 120.400 -0.275 0.000 3.429 250 K HA 0.559 4.879 4.320 -0.000 0.000 0.166 250 K C 0.132 176.754 176.600 0.037 0.000 1.079 250 K CA 0.010 56.157 56.287 -0.233 0.000 0.750 250 K CB 0.317 32.508 32.500 -0.515 0.000 0.883 250 K HN 0.977 nan 8.250 nan 0.000 0.549 251 A N 2.637 125.527 122.820 0.118 0.000 2.573 251 A HA 0.205 4.525 4.320 -0.000 0.000 0.250 251 A C -2.171 175.476 177.584 0.105 0.000 1.049 251 A CA -0.276 51.854 52.037 0.155 0.000 0.767 251 A CB -0.511 18.726 19.000 0.394 0.000 0.965 251 A HN 0.334 nan 8.150 nan 0.000 0.514 252 P HA 0.352 nan 4.420 nan 0.000 0.279 252 P C -0.799 176.616 177.300 0.192 0.000 1.239 252 P CA -0.195 62.977 63.100 0.119 0.000 0.789 252 P CB 1.247 33.022 31.700 0.125 0.000 0.933 253 V N 5.189 125.229 119.914 0.211 0.000 2.349 253 V HA 0.325 4.445 4.120 -0.000 0.000 0.284 253 V C 0.260 176.531 176.094 0.295 0.000 1.014 253 V CA -0.371 62.091 62.300 0.270 0.000 0.826 253 V CB 0.922 32.802 31.823 0.096 0.000 1.009 253 V HN 0.396 nan 8.190 nan 0.000 0.431 254 I N 5.281 126.070 120.570 0.364 0.000 2.297 254 I HA 0.372 4.542 4.170 -0.000 0.000 0.291 254 I C -0.361 175.976 176.117 0.365 0.000 1.033 254 I CA -0.527 60.943 61.300 0.283 0.000 1.253 254 I CB 1.537 39.612 38.000 0.126 0.000 1.396 254 I HN 0.268 nan 8.210 nan 0.000 0.476 255 V N 7.349 127.445 119.914 0.303 0.000 2.328 255 V HA 0.349 4.469 4.120 -0.000 0.000 0.278 255 V C -0.007 176.226 176.094 0.233 0.000 1.021 255 V CA -0.487 61.988 62.300 0.293 0.000 0.838 255 V CB 0.716 32.614 31.823 0.125 0.000 0.999 255 V HN 0.375 nan 8.190 nan 0.000 0.447 256 F N 1.876 122.037 119.950 0.352 0.000 2.368 256 F HA 0.318 4.845 4.527 -0.000 0.000 0.315 256 F C 1.633 177.517 175.800 0.141 0.000 1.145 256 F CA -0.293 57.867 58.000 0.268 0.000 1.095 256 F CB 0.623 39.777 39.000 0.257 0.000 1.286 256 F HN 0.445 nan 8.300 nan 0.000 0.530 257 D N 0.252 120.817 120.400 0.275 0.000 2.221 257 D HA -0.152 4.488 4.640 -0.000 0.000 0.204 257 D C 1.234 177.628 176.300 0.158 0.000 0.982 257 D CA 1.365 55.455 54.000 0.149 0.000 0.857 257 D CB -0.345 40.517 40.800 0.104 0.000 0.934 257 D HN 0.510 nan 8.370 nan 0.000 0.475 258 D N -0.394 120.128 120.400 0.203 0.000 2.358 258 D HA 0.174 4.814 4.640 -0.000 0.000 0.224 258 D C 0.390 176.797 176.300 0.178 0.000 1.123 258 D CA -0.291 53.802 54.000 0.155 0.000 0.833 258 D CB -0.384 40.487 40.800 0.118 0.000 0.946 258 D HN -0.013 nan 8.370 nan 0.000 0.505 259 A N 0.277 123.233 122.820 0.226 0.000 2.313 259 A HA 0.256 4.576 4.320 -0.000 0.000 0.261 259 A C 0.187 177.889 177.584 0.197 0.000 1.090 259 A CA -0.484 51.711 52.037 0.264 0.000 0.807 259 A CB 0.335 19.539 19.000 0.340 0.000 1.055 259 A HN 0.111 nan 8.150 nan 0.000 0.492 260 D N 1.493 122.028 120.400 0.226 0.000 2.359 260 D HA 0.125 4.765 4.640 -0.000 0.000 0.250 260 D C 1.031 177.404 176.300 0.122 0.000 1.264 260 D CA -0.381 53.718 54.000 0.165 0.000 0.911 260 D CB 0.125 41.037 40.800 0.187 0.000 1.056 260 D HN 0.249 nan 8.370 nan 0.000 0.499 261 I N 3.257 123.865 120.570 0.063 0.000 2.286 261 I HA -0.196 3.974 4.170 -0.000 0.000 0.248 261 I C 2.122 178.221 176.117 -0.031 0.000 1.115 261 I CA 0.924 62.224 61.300 0.000 0.000 1.392 261 I CB -0.851 37.144 38.000 -0.008 0.000 1.065 261 I HN 0.557 nan 8.210 nan 0.000 0.418 262 E N 0.847 121.047 120.200 -0.000 0.000 2.110 262 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 262 E C 2.314 178.910 176.600 -0.007 0.000 0.988 262 E CA 1.402 57.795 56.400 -0.011 0.000 0.804 262 E CB 0.057 29.762 29.700 0.007 0.000 0.745 262 E HN 0.443 nan 8.360 nan 0.000 0.458 263 A N 0.179 123.031 122.820 0.052 0.000 1.898 263 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 263 A C 2.381 179.961 177.584 -0.006 0.000 1.181 263 A CA 1.241 53.349 52.037 0.119 0.000 0.620 263 A CB -0.572 18.603 19.000 0.292 0.000 0.819 263 A HN 0.211 nan 8.150 nan 0.000 0.442 264 V N -0.351 119.443 119.914 -0.200 0.000 2.287 264 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 264 V C 2.579 178.424 176.094 -0.415 0.000 1.053 264 V CA 2.089 63.987 62.300 -0.670 0.000 1.027 264 V CB -0.793 30.663 31.823 -0.610 0.000 0.646 264 V HN 0.374 nan 8.190 nan 0.000 0.447 265 V N -0.321 119.448 119.914 -0.241 0.000 2.261 265 V HA -0.297 3.823 4.120 -0.000 0.000 0.246 265 V C 2.448 178.431 176.094 -0.185 0.000 1.047 265 V CA 2.381 64.568 62.300 -0.188 0.000 1.015 265 V CB -0.565 31.180 31.823 -0.130 0.000 0.642 265 V HN 0.630 nan 8.190 nan 0.000 0.446 266 E N -0.034 120.076 120.200 -0.150 0.000 2.118 266 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 266 E C 2.219 178.657 176.600 -0.271 0.000 0.992 266 E CA 1.398 57.708 56.400 -0.150 0.000 0.804 266 E CB -0.436 29.218 29.700 -0.076 0.000 0.741 266 E HN 0.606 nan 8.360 nan 0.000 0.458 267 G N 0.234 108.858 108.800 -0.293 0.000 2.453 267 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.215 267 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.215 267 G C 1.627 176.007 174.900 -0.868 0.000 1.201 267 G CA 0.975 45.728 45.100 -0.578 0.000 0.784 267 G HN 0.234 nan 8.290 nan 0.000 0.545 268 V N 0.863 120.531 119.914 -0.410 0.000 2.490 268 V HA -0.126 3.994 4.120 -0.000 0.000 0.250 268 V C 2.744 178.752 176.094 -0.143 0.000 1.061 268 V CA 1.856 64.001 62.300 -0.259 0.000 1.064 268 V CB -0.497 31.207 31.823 -0.199 0.000 0.670 268 V HN 0.377 nan 8.190 nan 0.000 0.461 269 R N -0.242 120.167 120.500 -0.151 0.000 2.127 269 R HA -0.185 4.155 4.340 -0.000 0.000 0.238 269 R C 2.225 178.516 176.300 -0.016 0.000 1.134 269 R CA 2.128 58.198 56.100 -0.050 0.000 0.975 269 R CB -0.224 29.996 30.300 -0.134 0.000 0.865 269 R HN 0.533 nan 8.270 nan 0.000 0.447 270 T N -0.025 114.373 114.554 -0.260 0.000 2.866 270 T HA 0.008 4.358 4.350 -0.000 0.000 0.250 270 T C 1.228 175.796 174.700 -0.220 0.000 1.033 270 T CA 0.931 62.894 62.100 -0.227 0.000 1.145 270 T CB -0.139 68.472 68.868 -0.428 0.000 0.866 270 T HN 0.120 nan 8.240 nan 0.000 0.434 271 F N 1.518 121.275 119.950 -0.323 0.000 2.365 271 F HA 0.235 4.762 4.527 -0.000 0.000 0.300 271 F C 2.492 177.921 175.800 -0.617 0.000 1.090 271 F CA 0.070 57.620 58.000 -0.750 0.000 1.408 271 F CB -1.248 37.405 39.000 -0.580 0.000 1.060 271 F HN 0.229 nan 8.300 nan 0.000 0.534 272 G N -2.415 106.204 108.800 -0.301 0.000 2.777 272 G HA2 -0.098 3.861 3.960 -0.000 0.000 0.211 272 G HA3 -0.098 3.861 3.960 -0.000 0.000 0.211 272 G C 0.835 175.227 174.900 -0.847 0.000 1.149 272 G CA 0.325 45.067 45.100 -0.597 0.000 0.785 272 G HN 0.415 nan 8.290 nan 0.000 0.536 273 Y N -2.432 117.828 120.300 -0.067 0.000 2.540 273 Y HA 0.342 4.892 4.550 -0.000 0.000 0.257 273 Y C 0.456 176.382 175.900 0.043 0.000 1.090 273 Y CA -1.597 56.495 58.100 -0.013 0.000 1.242 273 Y CB 0.165 38.612 38.460 -0.020 0.000 1.325 273 Y HN 0.082 nan 8.280 nan 0.000 0.544 274 Y N 2.568 122.890 120.300 0.036 0.000 2.702 274 Y HA -0.001 4.549 4.550 -0.000 0.000 0.336 274 Y C 1.205 177.175 175.900 0.117 0.000 1.235 274 Y CA 0.257 58.420 58.100 0.105 0.000 1.492 274 Y CB 0.265 38.825 38.460 0.167 0.000 1.308 274 Y HN 0.319 nan 8.280 nan 0.000 0.589 275 N N 3.223 121.719 118.700 -0.340 0.000 2.714 275 N HA -0.282 4.458 4.740 -0.000 0.000 0.250 275 N C 0.090 175.521 175.510 -0.132 0.000 1.117 275 N CA 1.309 54.197 53.050 -0.269 0.000 0.719 275 N CB -1.369 37.000 38.487 -0.195 0.000 1.081 275 N HN 1.271 nan 8.380 nan 0.000 0.557 276 A N -2.292 120.497 122.820 -0.052 0.000 2.860 276 A HA 0.079 4.399 4.320 -0.000 0.000 0.267 276 A C 2.188 179.760 177.584 -0.020 0.000 1.421 276 A CA 1.750 53.795 52.037 0.012 0.000 0.831 276 A CB -1.952 17.048 19.000 -0.001 0.000 1.041 276 A HN 2.122 nan 8.150 nan 0.000 0.623 277 G N -2.278 106.488 108.800 -0.057 0.000 2.184 277 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.264 277 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.264 277 G C 0.134 174.826 174.900 -0.347 0.000 0.975 277 G CA 0.908 45.921 45.100 -0.145 0.000 0.642 277 G HN 1.454 nan 8.290 nan 0.000 0.536 278 Q N 0.942 120.465 119.800 -0.463 0.000 3.184 278 Q HA 0.360 4.700 4.340 -0.000 0.000 0.288 278 Q C -0.605 174.838 176.000 -0.928 0.000 1.412 278 Q CA 0.059 55.150 55.803 -1.187 0.000 0.991 278 Q CB 0.357 28.790 28.738 -0.509 0.000 1.688 278 Q HN 0.406 nan 8.270 nan 0.000 0.554 279 D N -0.406 119.656 120.400 -0.564 0.000 2.970 279 D HA 0.099 4.739 4.640 -0.000 0.000 0.230 279 D C 0.155 176.694 176.300 0.397 0.000 1.276 279 D CA -0.618 53.502 54.000 0.200 0.000 0.910 279 D CB 1.648 42.761 40.800 0.523 0.000 1.590 279 D HN 0.237 nan 8.370 nan 0.000 0.551 280 C N 1.689 121.316 119.300 0.545 0.000 2.422 280 C HA -0.076 4.383 4.460 -0.000 0.000 0.286 280 C C 2.100 177.335 174.990 0.408 0.000 1.412 280 C CA 1.604 60.908 59.018 0.475 0.000 1.786 280 C CB -1.231 26.738 27.740 0.382 0.000 1.835 280 C HN 0.717 nan 8.230 nan 0.000 0.533 281 T N -2.002 112.838 114.554 0.476 0.000 3.176 281 T HA 0.501 4.851 4.350 -0.000 0.000 0.263 281 T C 0.443 175.550 174.700 0.677 0.000 1.021 281 T CA 0.372 62.804 62.100 0.554 0.000 0.905 281 T CB -0.147 69.078 68.868 0.594 0.000 1.057 281 T HN 0.389 nan 8.240 nan 0.000 0.558 282 A N 1.213 124.327 122.820 0.489 0.000 2.561 282 A HA 0.592 4.912 4.320 -0.000 0.000 0.234 282 A C 1.085 178.766 177.584 0.160 0.000 1.055 282 A CA 0.031 52.222 52.037 0.256 0.000 0.756 282 A CB -0.395 18.646 19.000 0.069 0.000 0.986 282 A HN 0.931 nan 8.150 nan 0.000 0.505 283 A N 2.112 124.867 122.820 -0.109 0.000 3.026 283 A HA 0.338 4.658 4.320 -0.000 0.000 0.272 283 A C 1.169 178.626 177.584 -0.212 0.000 1.782 283 A CA 0.223 52.066 52.037 -0.324 0.000 1.451 283 A CB -1.501 17.149 19.000 -0.584 0.000 1.081 283 A HN 1.620 nan 8.150 nan 0.000 0.611 284 C N -0.258 118.971 119.300 -0.117 0.000 2.674 284 C HA 0.411 4.871 4.460 -0.000 0.000 0.276 284 C C 1.044 175.961 174.990 -0.122 0.000 1.300 284 C CA -0.221 58.716 59.018 -0.135 0.000 1.732 284 C CB -1.006 26.681 27.740 -0.088 0.000 2.076 284 C HN 0.706 nan 8.230 nan 0.000 0.548 285 R N 1.617 122.052 120.500 -0.108 0.000 2.335 285 R HA 0.644 4.984 4.340 -0.000 0.000 0.302 285 R C -1.151 175.017 176.300 -0.219 0.000 1.147 285 R CA -0.514 55.483 56.100 -0.172 0.000 1.111 285 R CB 0.039 30.253 30.300 -0.144 0.000 1.122 285 R HN 0.516 nan 8.270 nan 0.000 0.557 286 I N 4.472 124.920 120.570 -0.204 0.000 2.365 286 I HA 0.210 4.380 4.170 -0.000 0.000 0.291 286 I C -0.614 175.416 176.117 -0.145 0.000 1.004 286 I CA -0.793 60.435 61.300 -0.119 0.000 1.311 286 I CB 1.000 38.957 38.000 -0.073 0.000 1.401 286 I HN 0.526 nan 8.210 nan 0.000 0.491 287 Y N 4.813 125.207 120.300 0.156 0.000 2.342 287 Y HA 0.595 5.145 4.550 -0.000 0.000 0.338 287 Y C 0.332 176.477 175.900 0.408 0.000 0.965 287 Y CA -0.719 57.554 58.100 0.288 0.000 1.159 287 Y CB 1.666 40.224 38.460 0.163 0.000 1.157 287 Y HN 0.602 nan 8.280 nan 0.000 0.486 288 A N 4.069 127.219 122.820 0.550 0.000 2.318 288 A HA 0.417 4.737 4.320 -0.000 0.000 0.317 288 A C -0.644 176.906 177.584 -0.056 0.000 1.159 288 A CA -0.852 51.365 52.037 0.300 0.000 0.799 288 A CB 1.021 20.172 19.000 0.253 0.000 1.194 288 A HN 0.781 nan 8.150 nan 0.000 0.479 289 Q N 1.276 120.746 119.800 -0.551 0.000 2.361 289 Q HA 0.085 4.425 4.340 -0.000 0.000 0.276 289 Q C 0.565 176.336 176.000 -0.383 0.000 1.022 289 Q CA 0.047 55.196 55.803 -1.091 0.000 0.898 289 Q CB 0.678 28.855 28.738 -0.934 0.000 1.246 289 Q HN 0.681 nan 8.270 nan 0.000 0.410 290 K N 2.120 122.311 120.400 -0.348 0.000 2.160 290 K HA -0.179 4.141 4.320 -0.000 0.000 0.206 290 K C 1.646 178.222 176.600 -0.040 0.000 1.047 290 K CA 1.617 57.820 56.287 -0.140 0.000 0.930 290 K CB -0.407 32.014 32.500 -0.131 0.000 0.720 290 K HN 0.843 nan 8.250 nan 0.000 0.450 291 G N 0.931 109.696 108.800 -0.058 0.000 2.418 291 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 291 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 291 G C 1.312 176.225 174.900 0.021 0.000 1.158 291 G CA 1.352 46.448 45.100 -0.007 0.000 0.771 291 G HN 0.431 nan 8.290 nan 0.000 0.545 292 I N -3.088 117.494 120.570 0.020 0.000 3.956 292 I HA 0.384 4.554 4.170 -0.000 0.000 0.333 292 I C 1.988 178.129 176.117 0.041 0.000 1.302 292 I CA -1.033 60.284 61.300 0.028 0.000 1.122 292 I CB -0.387 37.628 38.000 0.025 0.000 1.013 292 I HN 0.096 nan 8.210 nan 0.000 0.405 293 Y N 2.381 122.649 120.300 -0.053 0.000 2.053 293 Y HA -0.308 4.242 4.550 -0.000 0.000 0.277 293 Y C 2.091 177.977 175.900 -0.023 0.000 1.159 293 Y CA 2.214 60.291 58.100 -0.038 0.000 1.125 293 Y CB -0.235 38.203 38.460 -0.036 0.000 0.969 293 Y HN 0.173 nan 8.280 nan 0.000 0.492 294 D N -0.882 119.555 120.400 0.062 0.000 2.117 294 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 294 D C 2.161 178.400 176.300 -0.101 0.000 0.987 294 D CA 1.919 55.891 54.000 -0.046 0.000 0.829 294 D CB -0.469 40.368 40.800 0.062 0.000 0.961 294 D HN 0.409 nan 8.370 nan 0.000 0.460 295 T N 1.292 115.812 114.554 -0.057 0.000 2.708 295 T HA -0.150 4.200 4.350 -0.000 0.000 0.266 295 T C 1.951 176.593 174.700 -0.096 0.000 1.037 295 T CA 0.631 62.696 62.100 -0.058 0.000 1.146 295 T CB -0.374 68.477 68.868 -0.027 0.000 0.865 295 T HN 0.042 nan 8.240 nan 0.000 0.435 296 L N 1.354 122.505 121.223 -0.120 0.000 2.012 296 L HA -0.064 4.276 4.340 -0.000 0.000 0.210 296 L C 2.451 179.209 176.870 -0.186 0.000 1.073 296 L CA 1.557 56.309 54.840 -0.146 0.000 0.748 296 L CB -0.777 41.193 42.059 -0.148 0.000 0.891 296 L HN 0.076 nan 8.230 nan 0.000 0.431 297 V N -0.103 119.645 119.914 -0.277 0.000 2.287 297 V HA -0.326 3.793 4.120 -0.000 0.000 0.248 297 V C 2.593 178.588 176.094 -0.165 0.000 1.053 297 V CA 2.117 64.254 62.300 -0.272 0.000 1.027 297 V CB -0.714 30.861 31.823 -0.413 0.000 0.646 297 V HN 0.644 nan 8.190 nan 0.000 0.447 298 E N 0.237 120.355 120.200 -0.138 0.000 2.051 298 E HA -0.255 4.095 4.350 -0.000 0.000 0.192 298 E C 2.281 178.830 176.600 -0.085 0.000 0.991 298 E CA 1.474 57.818 56.400 -0.093 0.000 0.799 298 E CB -0.072 29.585 29.700 -0.071 0.000 0.748 298 E HN 0.569 nan 8.360 nan 0.000 0.449 299 K N 0.088 120.435 120.400 -0.088 0.000 2.097 299 K HA -0.142 4.178 4.320 -0.000 0.000 0.205 299 K C 2.205 178.751 176.600 -0.091 0.000 1.050 299 K CA 0.895 57.133 56.287 -0.080 0.000 0.938 299 K CB -0.149 32.307 32.500 -0.074 0.000 0.718 299 K HN 0.144 nan 8.250 nan 0.000 0.442 300 L N 0.846 122.006 121.223 -0.105 0.000 2.093 300 L HA -0.020 4.320 4.340 -0.000 0.000 0.208 300 L C 2.062 178.876 176.870 -0.093 0.000 1.085 300 L CA 1.788 56.567 54.840 -0.102 0.000 0.755 300 L CB -1.000 40.995 42.059 -0.106 0.000 0.904 300 L HN 0.171 nan 8.230 nan 0.000 0.435 301 G N -0.933 107.813 108.800 -0.090 0.000 2.421 301 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.216 301 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.216 301 G C 1.600 176.446 174.900 -0.089 0.000 1.171 301 G CA 0.847 45.898 45.100 -0.082 0.000 0.775 301 G HN 0.611 nan 8.290 nan 0.000 0.543 302 A N 0.997 123.767 122.820 -0.083 0.000 1.933 302 A HA 0.314 4.634 4.320 -0.000 0.000 0.218 302 A C 2.781 180.309 177.584 -0.092 0.000 1.175 302 A CA 2.185 54.175 52.037 -0.079 0.000 0.628 302 A CB -0.660 18.300 19.000 -0.066 0.000 0.814 302 A HN 0.753 nan 8.150 nan 0.000 0.444 303 A N -0.691 122.068 122.820 -0.101 0.000 1.897 303 A HA 0.061 4.381 4.320 -0.000 0.000 0.215 303 A C 2.178 179.667 177.584 -0.158 0.000 1.181 303 A CA 1.609 53.577 52.037 -0.114 0.000 0.620 303 A CB -0.787 18.146 19.000 -0.111 0.000 0.821 303 A HN 0.359 nan 8.150 nan 0.000 0.443 304 V N -0.079 119.720 119.914 -0.192 0.000 2.515 304 V HA -0.192 3.928 4.120 -0.000 0.000 0.250 304 V C 2.953 178.886 176.094 -0.268 0.000 1.058 304 V CA 1.630 63.734 62.300 -0.328 0.000 1.064 304 V CB -1.020 30.587 31.823 -0.360 0.000 0.675 304 V HN 0.589 nan 8.190 nan 0.000 0.461 305 A N 0.609 123.325 122.820 -0.173 0.000 2.070 305 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 305 A C 2.283 179.794 177.584 -0.122 0.000 1.159 305 A CA 2.058 54.014 52.037 -0.135 0.000 0.656 305 A CB -0.688 18.253 19.000 -0.099 0.000 0.800 305 A HN 0.644 nan 8.150 nan 0.000 0.453 306 T N -2.380 112.101 114.554 -0.122 0.000 3.107 306 T HA 0.383 4.733 4.350 -0.000 0.000 0.249 306 T C 0.453 175.095 174.700 -0.096 0.000 1.096 306 T CA -0.329 61.714 62.100 -0.096 0.000 1.012 306 T CB -0.574 68.245 68.868 -0.080 0.000 0.977 306 T HN 0.214 nan 8.240 nan 0.000 0.527 307 L N 2.105 123.249 121.223 -0.132 0.000 2.559 307 L HA 0.200 4.540 4.340 -0.000 0.000 0.274 307 L C 0.579 177.410 176.870 -0.065 0.000 1.205 307 L CA -0.086 54.689 54.840 -0.109 0.000 0.907 307 L CB 0.387 42.343 42.059 -0.171 0.000 1.153 307 L HN 0.187 nan 8.230 nan 0.000 0.490 308 K N 2.630 123.012 120.400 -0.029 0.000 2.248 308 K HA 0.285 4.605 4.320 -0.000 0.000 0.281 308 K C -0.587 176.019 176.600 0.009 0.000 1.054 308 K CA -0.296 55.981 56.287 -0.017 0.000 0.903 308 K CB 0.905 33.401 32.500 -0.007 0.000 1.077 308 K HN 0.509 nan 8.250 nan 0.000 0.474 309 S N 1.736 117.429 115.700 -0.012 0.000 2.489 309 S HA 0.794 5.264 4.470 -0.000 0.000 0.291 309 S C -0.360 174.195 174.600 -0.075 0.000 1.151 309 S CA -0.381 57.821 58.200 0.004 0.000 1.082 309 S CB 1.668 64.852 63.200 -0.027 0.000 1.019 309 S HN 0.910 nan 8.310 nan 0.000 0.492 310 G N 0.774 109.548 108.800 -0.044 0.000 2.427 310 G HA2 0.574 4.534 3.960 -0.000 0.000 0.306 310 G HA3 0.574 4.534 3.960 -0.000 0.000 0.306 310 G C -1.249 173.659 174.900 0.013 0.000 1.280 310 G CA -0.268 44.787 45.100 -0.075 0.000 0.837 310 G HN 0.896 nan 8.290 nan 0.000 0.482 311 A N 0.452 123.278 122.820 0.010 0.000 2.520 311 A HA 0.546 4.866 4.320 -0.000 0.000 0.245 311 A C -0.856 176.772 177.584 0.073 0.000 1.072 311 A CA -0.046 52.020 52.037 0.048 0.000 0.761 311 A CB 0.106 19.119 19.000 0.021 0.000 1.004 311 A HN 0.315 nan 8.150 nan 0.000 0.499 312 P HA -0.151 nan 4.420 nan 0.000 0.217 312 P C 0.118 177.455 177.300 0.062 0.000 1.148 312 P CA 1.705 64.843 63.100 0.063 0.000 0.828 312 P CB 0.060 31.784 31.700 0.040 0.000 0.783 313 D N -1.906 118.525 120.400 0.053 0.000 2.328 313 D HA -0.014 4.626 4.640 -0.000 0.000 0.226 313 D C 0.299 176.636 176.300 0.063 0.000 1.066 313 D CA 0.345 54.376 54.000 0.052 0.000 0.861 313 D CB -0.461 40.356 40.800 0.028 0.000 0.912 313 D HN 0.155 nan 8.370 nan 0.000 0.521 314 D N 0.826 121.269 120.400 0.072 0.000 2.249 314 D HA 0.035 4.675 4.640 -0.000 0.000 0.246 314 D C 0.849 177.215 176.300 0.110 0.000 1.114 314 D CA -0.129 53.910 54.000 0.064 0.000 0.854 314 D CB 1.194 42.017 40.800 0.040 0.000 1.132 314 D HN -0.022 nan 8.370 nan 0.000 0.461 315 E N 1.251 121.495 120.200 0.075 0.000 2.209 315 E HA -0.172 4.178 4.350 -0.000 0.000 0.196 315 E C 1.447 178.027 176.600 -0.032 0.000 0.993 315 E CA 0.972 57.391 56.400 0.032 0.000 0.819 315 E CB 0.285 29.964 29.700 -0.035 0.000 0.745 315 E HN 0.502 nan 8.360 nan 0.000 0.477 316 S N -0.687 115.020 115.700 0.013 0.000 2.558 316 S HA 0.021 4.491 4.470 -0.000 0.000 0.217 316 S C 0.865 175.504 174.600 0.065 0.000 0.975 316 S CA -0.163 58.041 58.200 0.007 0.000 0.912 316 S CB 0.301 63.499 63.200 -0.004 0.000 0.776 316 S HN -0.098 nan 8.310 nan 0.000 0.526 317 T N 3.013 117.640 114.554 0.122 0.000 2.834 317 T HA 0.197 4.547 4.350 -0.000 0.000 0.298 317 T C 0.645 175.467 174.700 0.203 0.000 0.966 317 T CA 0.067 62.246 62.100 0.132 0.000 1.141 317 T CB 1.024 69.965 68.868 0.122 0.000 0.905 317 T HN 0.452 nan 8.240 nan 0.000 0.535 318 E N 1.558 121.839 120.200 0.135 0.000 2.399 318 E HA 0.176 4.526 4.350 -0.000 0.000 0.205 318 E C -0.043 176.606 176.600 0.082 0.000 0.906 318 E CA -0.131 56.351 56.400 0.137 0.000 0.998 318 E CB 0.516 30.274 29.700 0.098 0.000 1.002 318 E HN 0.246 nan 8.360 nan 0.000 0.501 319 L N 0.876 122.148 121.223 0.081 0.000 2.372 319 L HA 0.557 4.897 4.340 -0.000 0.000 0.274 319 L C -0.090 176.864 176.870 0.140 0.000 0.988 319 L CA -0.532 54.360 54.840 0.086 0.000 0.833 319 L CB 1.476 43.592 42.059 0.095 0.000 1.236 319 L HN -0.033 nan 8.230 nan 0.000 0.410 320 G N 4.499 113.332 108.800 0.054 0.000 2.537 320 G HA2 0.647 4.607 3.960 -0.000 0.000 0.297 320 G HA3 0.647 4.607 3.960 -0.000 0.000 0.297 320 G C -2.771 172.000 174.900 -0.215 0.000 1.310 320 G CA -1.113 43.988 45.100 0.002 0.000 1.027 320 G HN 0.547 nan 8.290 nan 0.000 0.505 321 P HA 0.332 nan 4.420 nan 0.000 0.282 321 P C -0.085 177.062 177.300 -0.256 0.000 1.287 321 P CA -0.605 62.014 63.100 -0.802 0.000 0.792 321 P CB 1.225 32.255 31.700 -1.116 0.000 1.163 322 L N 0.191 121.360 121.223 -0.090 0.000 2.475 322 L HA 0.096 4.435 4.340 -0.000 0.000 0.253 322 L C 2.136 179.027 176.870 0.034 0.000 1.198 322 L CA 0.000 54.868 54.840 0.046 0.000 0.814 322 L CB 0.174 42.303 42.059 0.117 0.000 1.134 322 L HN 0.452 nan 8.230 nan 0.000 0.478 323 S N -1.247 114.404 115.700 -0.082 0.000 2.453 323 S HA -0.002 4.468 4.470 -0.000 0.000 0.231 323 S C 0.528 175.006 174.600 -0.204 0.000 1.005 323 S CA 0.328 58.373 58.200 -0.258 0.000 0.949 323 S CB -0.168 62.547 63.200 -0.808 0.000 0.774 323 S HN 0.734 nan 8.310 nan 0.000 0.510 324 S N -0.803 114.721 115.700 -0.294 0.000 2.588 324 S HA 0.554 5.024 4.470 -0.000 0.000 0.269 324 S C 0.072 174.061 174.600 -1.018 0.000 1.157 324 S CA -0.736 57.095 58.200 -0.615 0.000 0.824 324 S CB 0.871 63.777 63.200 -0.490 0.000 1.126 324 S HN 0.048 nan 8.310 nan 0.000 0.464 325 L N 1.892 122.251 121.223 -1.439 0.000 2.012 325 L HA 0.114 4.454 4.340 -0.000 0.000 0.210 325 L C 2.784 179.371 176.870 -0.472 0.000 1.073 325 L CA 2.879 57.128 54.840 -0.984 0.000 0.748 325 L CB -1.539 40.105 42.059 -0.691 0.000 0.891 325 L HN 1.026 nan 8.230 nan 0.000 0.431 326 A N -1.689 120.907 122.820 -0.373 0.000 1.902 326 A HA -0.312 4.008 4.320 -0.000 0.000 0.217 326 A C 2.303 179.805 177.584 -0.138 0.000 1.181 326 A CA 1.893 53.806 52.037 -0.206 0.000 0.623 326 A CB -0.990 17.916 19.000 -0.157 0.000 0.818 326 A HN 0.695 nan 8.150 nan 0.000 0.443 327 H N -0.797 118.122 119.070 -0.252 0.000 2.389 327 H HA -0.024 4.532 4.556 -0.000 0.000 0.299 327 H C 1.734 176.981 175.328 -0.135 0.000 1.081 327 H CA 1.509 57.465 56.048 -0.153 0.000 1.345 327 H CB -0.202 29.454 29.762 -0.176 0.000 1.393 327 H HN 0.325 nan 8.280 nan 0.000 0.520 328 L N 0.805 121.886 121.223 -0.237 0.000 2.042 328 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 328 L C 1.996 178.753 176.870 -0.188 0.000 1.076 328 L CA 1.915 56.636 54.840 -0.198 0.000 0.749 328 L CB -0.566 41.432 42.059 -0.101 0.000 0.893 328 L HN 0.360 nan 8.230 nan 0.000 0.432 329 E N -0.604 119.498 120.200 -0.163 0.000 2.058 329 E HA -0.248 4.102 4.350 -0.000 0.000 0.194 329 E C 2.267 178.787 176.600 -0.133 0.000 0.997 329 E CA 1.511 57.842 56.400 -0.115 0.000 0.801 329 E CB -0.177 29.462 29.700 -0.102 0.000 0.746 329 E HN 0.520 nan 8.360 nan 0.000 0.450 330 R N 0.412 120.816 120.500 -0.161 0.000 2.081 330 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 330 R C 2.467 178.639 176.300 -0.212 0.000 1.131 330 R CA 1.115 57.128 56.100 -0.145 0.000 0.960 330 R CB -0.389 29.857 30.300 -0.090 0.000 0.856 330 R HN 0.063 nan 8.270 nan 0.000 0.436 331 V N 0.403 120.098 119.914 -0.365 0.000 2.343 331 V HA -0.161 3.959 4.120 -0.000 0.000 0.247 331 V C 2.444 178.283 176.094 -0.424 0.000 1.051 331 V CA 2.132 64.166 62.300 -0.443 0.000 1.036 331 V CB -0.958 30.486 31.823 -0.632 0.000 0.654 331 V HN 0.540 nan 8.190 nan 0.000 0.451 332 G N -0.577 108.015 108.800 -0.346 0.000 2.440 332 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 332 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 332 G C 1.702 176.571 174.900 -0.052 0.000 1.154 332 G CA 0.705 45.739 45.100 -0.110 0.000 0.767 332 G HN 0.324 nan 8.290 nan 0.000 0.552 333 K N 0.711 121.068 120.400 -0.072 0.000 2.032 333 K HA -0.056 4.264 4.320 -0.000 0.000 0.209 333 K C 2.960 179.534 176.600 -0.044 0.000 1.048 333 K CA 1.321 57.581 56.287 -0.045 0.000 0.927 333 K CB -0.612 31.860 32.500 -0.046 0.000 0.712 333 K HN 0.247 nan 8.250 nan 0.000 0.441 334 A N 0.751 123.530 122.820 -0.068 0.000 1.933 334 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 334 A C 2.430 179.989 177.584 -0.040 0.000 1.175 334 A CA 1.676 53.683 52.037 -0.051 0.000 0.628 334 A CB -0.557 18.408 19.000 -0.057 0.000 0.814 334 A HN 0.113 nan 8.150 nan 0.000 0.444 335 V N -0.003 119.884 119.914 -0.045 0.000 2.358 335 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 335 V C 2.359 178.460 176.094 0.012 0.000 1.047 335 V CA 2.155 64.458 62.300 0.004 0.000 1.035 335 V CB -0.859 31.010 31.823 0.077 0.000 0.658 335 V HN 0.630 nan 8.190 nan 0.000 0.452 336 E N -0.056 120.153 120.200 0.015 0.000 2.118 336 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 336 E C 2.229 178.824 176.600 -0.009 0.000 0.992 336 E CA 1.429 57.835 56.400 0.009 0.000 0.804 336 E CB -0.124 29.583 29.700 0.011 0.000 0.741 336 E HN 0.689 nan 8.360 nan 0.000 0.458 337 E N 0.527 120.717 120.200 -0.015 0.000 2.072 337 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 337 E C 2.119 178.697 176.600 -0.038 0.000 0.985 337 E CA 0.817 57.204 56.400 -0.021 0.000 0.801 337 E CB -0.101 29.588 29.700 -0.017 0.000 0.750 337 E HN 0.215 nan 8.360 nan 0.000 0.452 338 A N 1.906 124.701 122.820 -0.040 0.000 1.933 338 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 338 A C 1.947 179.476 177.584 -0.091 0.000 1.175 338 A CA 1.430 53.426 52.037 -0.068 0.000 0.628 338 A CB -0.281 18.690 19.000 -0.048 0.000 0.814 338 A HN 0.059 nan 8.150 nan 0.000 0.444 339 K N -0.320 120.049 120.400 -0.053 0.000 2.097 339 K HA 0.002 4.322 4.320 -0.000 0.000 0.205 339 K C 2.065 178.632 176.600 -0.056 0.000 1.050 339 K CA 1.036 57.293 56.287 -0.050 0.000 0.938 339 K CB -0.293 32.196 32.500 -0.019 0.000 0.718 339 K HN 0.421 nan 8.250 nan 0.000 0.442 340 A N 1.083 123.876 122.820 -0.045 0.000 2.168 340 A HA -0.081 4.238 4.320 -0.000 0.000 0.215 340 A C 2.086 179.644 177.584 -0.043 0.000 1.152 340 A CA 1.259 53.277 52.037 -0.033 0.000 0.716 340 A CB -0.640 18.349 19.000 -0.019 0.000 0.794 340 A HN 0.186 nan 8.150 nan 0.000 0.465 341 T N -1.050 113.448 114.554 -0.094 0.000 2.759 341 T HA 0.102 4.452 4.350 -0.000 0.000 0.269 341 T C 1.669 176.314 174.700 -0.092 0.000 1.042 341 T CA 2.241 64.254 62.100 -0.146 0.000 1.140 341 T CB -0.344 68.295 68.868 -0.382 0.000 0.864 341 T HN 1.429 nan 8.240 nan 0.000 0.455 342 G N 0.591 109.336 108.800 -0.091 0.000 2.225 342 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.254 342 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.254 342 G C 0.629 175.554 174.900 0.041 0.000 0.988 342 G CA 0.644 45.743 45.100 -0.001 0.000 0.625 342 G HN 0.757 nan 8.290 nan 0.000 0.527 343 H N -0.874 118.202 119.070 0.009 0.000 2.923 343 H HA 0.552 5.108 4.556 -0.000 0.000 0.268 343 H C 0.494 175.833 175.328 0.019 0.000 1.148 343 H CA -0.367 55.688 56.048 0.012 0.000 1.146 343 H CB 0.322 30.088 29.762 0.007 0.000 1.607 343 H HN 0.366 nan 8.280 nan 0.000 0.566 344 I N 2.161 122.625 120.570 -0.176 0.000 2.354 344 I HA 0.217 4.387 4.170 -0.000 0.000 0.292 344 I C -0.114 175.987 176.117 -0.027 0.000 0.989 344 I CA -0.671 60.574 61.300 -0.091 0.000 1.188 344 I CB 2.225 40.132 38.000 -0.156 0.000 1.342 344 I HN -0.009 nan 8.210 nan 0.000 0.457 345 K N 5.578 125.987 120.400 0.014 0.000 2.159 345 K HA 0.505 4.825 4.320 -0.000 0.000 0.266 345 K C -1.080 175.525 176.600 0.008 0.000 0.975 345 K CA -0.613 55.683 56.287 0.015 0.000 0.865 345 K CB 1.619 34.138 32.500 0.032 0.000 1.087 345 K HN 0.353 nan 8.250 nan 0.000 0.446 346 V N 6.891 126.807 119.914 0.003 0.000 2.405 346 V HA 0.030 4.150 4.120 -0.000 0.000 0.264 346 V C 1.371 177.462 176.094 -0.004 0.000 1.048 346 V CA -0.298 62.005 62.300 0.003 0.000 0.966 346 V CB 0.616 32.441 31.823 0.003 0.000 1.015 346 V HN 0.818 nan 8.190 nan 0.000 0.477 347 I N 2.882 123.447 120.570 -0.008 0.000 2.480 347 I HA 0.044 4.214 4.170 -0.000 0.000 0.251 347 I C 1.091 177.191 176.117 -0.029 0.000 1.124 347 I CA 1.315 62.602 61.300 -0.022 0.000 1.444 347 I CB -0.198 37.781 38.000 -0.035 0.000 1.098 347 I HN 0.694 nan 8.210 nan 0.000 0.428 348 T N -1.070 113.470 114.554 -0.023 0.000 2.885 348 T HA 0.517 4.867 4.350 -0.000 0.000 0.322 348 T C -0.072 174.613 174.700 -0.026 0.000 1.387 348 T CA 0.359 62.437 62.100 -0.037 0.000 1.041 348 T CB 1.453 70.285 68.868 -0.059 0.000 1.287 348 T HN 0.603 nan 8.240 nan 0.000 0.491 349 G N 2.026 110.797 108.800 -0.048 0.000 2.509 349 G HA2 0.281 4.241 3.960 -0.000 0.000 0.259 349 G HA3 0.281 4.241 3.960 -0.000 0.000 0.259 349 G C 0.980 175.844 174.900 -0.060 0.000 1.169 349 G CA 1.048 46.110 45.100 -0.062 0.000 0.953 349 G HN 2.478 nan 8.290 nan 0.000 0.563 350 G N -0.705 108.076 108.800 -0.032 0.000 2.171 350 G HA2 0.258 4.218 3.960 -0.000 0.000 0.238 350 G HA3 0.258 4.218 3.960 -0.000 0.000 0.238 350 G C -0.077 174.772 174.900 -0.084 0.000 1.039 350 G CA 1.760 46.879 45.100 0.032 0.000 0.759 350 G HN 1.797 nan 8.290 nan 0.000 0.501 351 E N -1.159 118.777 120.200 -0.439 0.000 2.423 351 E HA 0.544 4.894 4.350 -0.000 0.000 0.280 351 E C -0.484 175.614 176.600 -0.837 0.000 1.030 351 E CA -1.211 54.934 56.400 -0.426 0.000 0.812 351 E CB 1.220 30.794 29.700 -0.210 0.000 1.313 351 E HN 0.198 nan 8.360 nan 0.000 0.456 352 K N 0.961 121.128 120.400 -0.388 0.000 2.202 352 K HA 0.308 4.627 4.320 -0.000 0.000 0.264 352 K C -0.061 176.459 176.600 -0.133 0.000 1.010 352 K CA -0.611 55.560 56.287 -0.193 0.000 0.940 352 K CB 0.979 33.519 32.500 0.065 0.000 0.983 352 K HN 0.279 nan 8.250 nan 0.000 0.475 353 R N 1.754 122.222 120.500 -0.052 0.000 2.539 353 R HA 0.037 4.377 4.340 -0.000 0.000 0.275 353 R C -0.070 176.225 176.300 -0.008 0.000 1.077 353 R CA -0.311 55.768 56.100 -0.034 0.000 1.097 353 R CB 0.622 30.929 30.300 0.012 0.000 1.018 353 R HN 0.256 nan 8.270 nan 0.000 0.483 354 K N 1.567 121.946 120.400 -0.035 0.000 2.185 354 K HA 0.405 4.725 4.320 -0.000 0.000 0.271 354 K C -0.098 176.487 176.600 -0.026 0.000 1.013 354 K CA 0.793 57.066 56.287 -0.023 0.000 0.943 354 K CB 1.110 33.589 32.500 -0.035 0.000 0.998 354 K HN 0.864 nan 8.250 nan 0.000 0.468 355 G N 2.306 111.101 108.800 -0.009 0.000 2.498 355 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.651 355 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.651 355 G C -0.871 174.042 174.900 0.022 0.000 1.284 355 G CA -0.846 44.246 45.100 -0.014 0.000 0.950 355 G HN 0.597 nan 8.290 nan 0.000 0.511 356 N N 0.731 119.439 118.700 0.013 0.000 2.424 356 N HA 0.605 5.345 4.740 -0.000 0.000 0.257 356 N C 0.947 176.493 175.510 0.060 0.000 1.250 356 N CA 1.203 54.268 53.050 0.025 0.000 0.946 356 N CB 0.796 39.284 38.487 0.003 0.000 1.175 356 N HN 2.329 nan 8.380 nan 0.000 0.477 357 G N -0.276 108.493 108.800 -0.051 0.000 2.760 357 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.246 357 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.246 357 G C -1.311 173.531 174.900 -0.096 0.000 1.359 357 G CA -0.481 44.471 45.100 -0.247 0.000 0.861 357 G HN 0.487 nan 8.290 nan 0.000 0.541 358 Y N -0.011 120.269 120.300 -0.033 0.000 2.724 358 Y HA 0.531 5.081 4.550 -0.000 0.000 0.370 358 Y C 0.460 176.314 175.900 -0.077 0.000 0.978 358 Y CA -1.563 56.504 58.100 -0.054 0.000 1.443 358 Y CB -0.445 37.945 38.460 -0.117 0.000 1.386 358 Y HN 0.446 nan 8.280 nan 0.000 0.557 359 Y N -0.018 120.357 120.300 0.124 0.000 2.299 359 Y HA 0.328 4.878 4.550 -0.000 0.000 0.326 359 Y C -0.269 175.715 175.900 0.142 0.000 1.164 359 Y CA -0.776 57.385 58.100 0.101 0.000 1.234 359 Y CB 0.713 39.190 38.460 0.029 0.000 1.219 359 Y HN 0.304 nan 8.280 nan 0.000 0.497 360 Y N 1.535 121.931 120.300 0.160 0.000 2.425 360 Y HA 0.680 5.230 4.550 -0.000 0.000 0.344 360 Y C -0.292 175.667 175.900 0.097 0.000 0.969 360 Y CA -1.474 56.684 58.100 0.096 0.000 1.052 360 Y CB 1.161 39.649 38.460 0.047 0.000 1.215 360 Y HN 0.747 nan 8.280 nan 0.000 0.451 361 A N 7.698 130.338 122.820 -0.299 0.000 2.498 361 A HA 0.335 4.655 4.320 -0.000 0.000 0.239 361 A C -2.513 175.094 177.584 0.039 0.000 1.068 361 A CA -1.282 50.673 52.037 -0.137 0.000 0.766 361 A CB -0.581 18.276 19.000 -0.239 0.000 1.003 361 A HN 0.515 nan 8.150 nan 0.000 0.497 362 P HA 0.132 nan 4.420 nan 0.000 0.267 362 P C -0.462 176.872 177.300 0.055 0.000 1.209 362 P CA 0.484 63.606 63.100 0.036 0.000 0.763 362 P CB 0.533 32.087 31.700 -0.244 0.000 0.816 363 T N 4.164 118.872 114.554 0.255 0.000 2.861 363 T HA 0.497 4.847 4.350 -0.000 0.000 0.287 363 T C -0.638 174.185 174.700 0.206 0.000 1.003 363 T CA -0.399 61.817 62.100 0.193 0.000 0.977 363 T CB 1.150 70.170 68.868 0.253 0.000 0.996 363 T HN 0.221 nan 8.240 nan 0.000 0.448 364 L N 4.092 125.378 121.223 0.105 0.000 2.381 364 L HA 0.678 5.018 4.340 -0.000 0.000 0.274 364 L C -1.675 175.215 176.870 0.033 0.000 0.988 364 L CA -0.579 54.306 54.840 0.075 0.000 0.824 364 L CB 1.056 43.137 42.059 0.036 0.000 1.263 364 L HN 0.591 nan 8.230 nan 0.000 0.410 365 L N 5.062 126.299 121.223 0.023 0.000 2.341 365 L HA 0.925 5.265 4.340 -0.000 0.000 0.278 365 L C -0.215 176.664 176.870 0.014 0.000 1.005 365 L CA -0.651 54.198 54.840 0.014 0.000 0.818 365 L CB 1.748 43.812 42.059 0.009 0.000 1.259 365 L HN 0.778 nan 8.230 nan 0.000 0.418 366 A N 1.237 124.076 122.820 0.031 0.000 2.384 366 A HA 0.801 5.121 4.320 -0.000 0.000 0.312 366 A C 0.614 178.285 177.584 0.144 0.000 1.113 366 A CA 0.122 52.209 52.037 0.083 0.000 0.779 366 A CB 1.607 20.632 19.000 0.042 0.000 1.307 366 A HN 1.025 nan 8.150 nan 0.000 0.436 367 G N -0.854 108.096 108.800 0.251 0.000 2.141 367 G HA2 0.210 4.170 3.960 -0.000 0.000 0.242 367 G HA3 0.210 4.170 3.960 -0.000 0.000 0.242 367 G C 0.579 175.588 174.900 0.183 0.000 0.982 367 G CA 0.340 45.563 45.100 0.206 0.000 0.662 367 G HN 2.181 nan 8.290 nan 0.000 0.527 368 A N 0.032 122.928 122.820 0.127 0.000 2.477 368 A HA 0.686 5.006 4.320 -0.000 0.000 0.246 368 A C 0.637 178.261 177.584 0.066 0.000 1.078 368 A CA 0.230 52.321 52.037 0.089 0.000 0.770 368 A CB 0.326 19.337 19.000 0.018 0.000 1.011 368 A HN 0.875 nan 8.150 nan 0.000 0.494 369 L N 1.378 122.648 121.223 0.079 0.000 2.352 369 L HA 0.293 4.633 4.340 -0.000 0.000 0.269 369 L C 1.627 178.411 176.870 -0.144 0.000 1.034 369 L CA -0.623 54.182 54.840 -0.059 0.000 0.806 369 L CB 1.183 43.196 42.059 -0.076 0.000 1.244 369 L HN 0.977 nan 8.230 nan 0.000 0.447 370 Q N 0.788 120.374 119.800 -0.358 0.000 2.133 370 Q HA -0.240 4.100 4.340 -0.000 0.000 0.208 370 Q C 0.980 176.864 176.000 -0.193 0.000 0.991 370 Q CA 2.132 57.687 55.803 -0.414 0.000 0.867 370 Q CB -0.006 28.131 28.738 -1.001 0.000 0.911 370 Q HN 0.619 nan 8.270 nan 0.000 0.417 371 D N 0.350 120.662 120.400 -0.147 0.000 2.340 371 D HA 0.023 4.663 4.640 -0.000 0.000 0.220 371 D C -0.543 175.752 176.300 -0.009 0.000 1.039 371 D CA 0.164 54.129 54.000 -0.059 0.000 0.866 371 D CB -0.094 40.678 40.800 -0.045 0.000 0.913 371 D HN 0.329 nan 8.370 nan 0.000 0.523 372 D N 0.029 120.432 120.400 0.005 0.000 2.362 372 D HA 0.143 4.783 4.640 -0.000 0.000 0.242 372 D C 1.322 177.635 176.300 0.021 0.000 1.132 372 D CA -0.089 53.931 54.000 0.035 0.000 0.907 372 D CB 1.242 42.077 40.800 0.057 0.000 1.195 372 D HN -0.067 nan 8.370 nan 0.000 0.429 373 A N 1.991 124.824 122.820 0.021 0.000 1.940 373 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 373 A C 2.040 179.640 177.584 0.026 0.000 1.176 373 A CA 1.004 53.057 52.037 0.027 0.000 0.631 373 A CB -0.528 18.484 19.000 0.019 0.000 0.814 373 A HN 0.565 nan 8.150 nan 0.000 0.446 374 I N -0.667 119.905 120.570 0.005 0.000 2.700 374 I HA -0.130 4.040 4.170 -0.000 0.000 0.261 374 I C 1.817 177.929 176.117 -0.008 0.000 1.219 374 I CA 1.055 62.352 61.300 -0.005 0.000 1.463 374 I CB 0.203 38.190 38.000 -0.022 0.000 1.092 374 I HN 0.107 nan 8.210 nan 0.000 0.452 375 V N -0.607 119.306 119.914 -0.002 0.000 2.949 375 V HA 0.001 4.121 4.120 -0.000 0.000 0.245 375 V C 2.037 178.168 176.094 0.062 0.000 1.086 375 V CA 0.713 63.007 62.300 -0.011 0.000 1.097 375 V CB -0.230 31.565 31.823 -0.045 0.000 0.762 375 V HN 0.330 nan 8.190 nan 0.000 0.470 376 Q N 0.341 120.194 119.800 0.088 0.000 2.376 376 Q HA 0.183 4.523 4.340 -0.000 0.000 0.206 376 Q C 0.457 176.615 176.000 0.264 0.000 0.921 376 Q CA 0.570 56.468 55.803 0.157 0.000 0.911 376 Q CB 0.440 29.236 28.738 0.097 0.000 1.032 376 Q HN 0.526 nan 8.270 nan 0.000 0.510 377 K N 1.065 121.583 120.400 0.197 0.000 2.324 377 K HA 0.272 4.592 4.320 -0.000 0.000 0.253 377 K C -0.567 176.118 176.600 0.142 0.000 0.932 377 K CA -0.444 55.988 56.287 0.242 0.000 0.799 377 K CB 2.243 34.828 32.500 0.142 0.000 1.154 377 K HN -0.049 nan 8.250 nan 0.000 0.425 378 E N 1.903 122.186 120.200 0.139 0.000 2.414 378 E HA -0.020 4.330 4.350 -0.000 0.000 0.263 378 E C 0.114 176.768 176.600 0.090 0.000 1.000 378 E CA -0.075 56.323 56.400 -0.003 0.000 0.914 378 E CB 0.779 30.445 29.700 -0.057 0.000 0.948 378 E HN 0.333 nan 8.360 nan 0.000 0.444 379 V N 4.934 124.907 119.914 0.098 0.000 2.922 379 V HA -0.016 4.104 4.120 -0.000 0.000 0.242 379 V C 0.627 176.889 176.094 0.280 0.000 1.094 379 V CA 0.156 62.521 62.300 0.108 0.000 1.106 379 V CB -0.394 31.439 31.823 0.016 0.000 0.799 379 V HN 0.948 nan 8.190 nan 0.000 0.474 380 F N 1.150 121.144 119.950 0.073 0.000 3.071 380 F HA -0.071 4.456 4.527 -0.000 0.000 0.295 380 F C 0.456 176.406 175.800 0.249 0.000 0.919 380 F CA 0.707 58.809 58.000 0.171 0.000 1.050 380 F CB -1.056 38.098 39.000 0.257 0.000 1.040 380 F HN 0.266 nan 8.300 nan 0.000 0.692 381 G N -0.093 108.751 108.800 0.074 0.000 2.866 381 G HA2 0.675 4.635 3.960 -0.000 0.000 0.289 381 G HA3 0.675 4.635 3.960 -0.000 0.000 0.289 381 G C -3.056 171.826 174.900 -0.030 0.000 1.396 381 G CA -0.760 44.340 45.100 -0.001 0.000 0.848 381 G HN -0.106 nan 8.290 nan 0.000 0.515 382 P HA 0.342 nan 4.420 nan 0.000 0.225 382 P C -0.769 176.658 177.300 0.211 0.000 1.813 382 P CA -0.127 63.072 63.100 0.166 0.000 1.013 382 P CB 0.321 32.220 31.700 0.332 0.000 1.961 383 V N 1.891 121.802 119.914 -0.005 0.000 2.623 383 V HA 0.370 4.490 4.120 -0.000 0.000 0.304 383 V C -0.088 175.946 176.094 -0.100 0.000 1.054 383 V CA -0.792 61.523 62.300 0.026 0.000 0.882 383 V CB 2.781 34.606 31.823 0.004 0.000 1.002 383 V HN -0.044 nan 8.190 nan 0.000 0.424 384 V N 3.453 123.336 119.914 -0.051 0.000 2.656 384 V HA 0.755 4.875 4.120 -0.000 0.000 0.307 384 V C 0.001 176.069 176.094 -0.043 0.000 1.051 384 V CA -0.407 61.833 62.300 -0.100 0.000 0.893 384 V CB 2.448 34.193 31.823 -0.131 0.000 0.999 384 V HN 1.024 nan 8.190 nan 0.000 0.426 385 S N 3.350 119.009 115.700 -0.068 0.000 2.568 385 S HA 0.900 5.370 4.470 -0.000 0.000 0.302 385 S C -0.963 173.601 174.600 -0.061 0.000 1.082 385 S CA -0.742 57.428 58.200 -0.050 0.000 1.009 385 S CB 2.045 65.212 63.200 -0.055 0.000 1.069 385 S HN 0.506 nan 8.310 nan 0.000 0.500 386 V N 1.516 121.425 119.914 -0.009 0.000 2.588 386 V HA 0.630 4.750 4.120 -0.000 0.000 0.304 386 V C -0.406 175.797 176.094 0.181 0.000 1.042 386 V CA -0.515 61.814 62.300 0.047 0.000 0.877 386 V CB 1.700 33.528 31.823 0.008 0.000 0.996 386 V HN 1.042 nan 8.190 nan 0.000 0.425 387 T N 6.691 121.354 114.554 0.182 0.000 2.812 387 T HA 0.525 4.875 4.350 -0.000 0.000 0.282 387 T C -2.834 172.069 174.700 0.338 0.000 0.990 387 T CA -1.275 60.946 62.100 0.203 0.000 0.960 387 T CB 2.235 71.150 68.868 0.079 0.000 0.948 387 T HN 0.456 nan 8.240 nan 0.000 0.438 388 P HA 0.466 nan 4.420 nan 0.000 0.279 388 P C -1.027 176.471 177.300 0.331 0.000 1.239 388 P CA -0.524 62.557 63.100 -0.032 0.000 0.789 388 P CB 0.370 31.715 31.700 -0.591 0.000 0.933 389 F N -0.003 120.047 119.950 0.167 0.000 2.629 389 F HA 0.569 5.096 4.527 -0.000 0.000 0.316 389 F C 0.321 176.112 175.800 -0.015 0.000 1.081 389 F CA -0.863 57.219 58.000 0.136 0.000 0.954 389 F CB 0.917 39.978 39.000 0.102 0.000 1.337 389 F HN 0.087 nan 8.300 nan 0.000 0.474 390 D N 0.227 120.682 120.400 0.092 0.000 2.290 390 D HA 0.028 4.668 4.640 -0.000 0.000 0.224 390 D C -0.237 176.115 176.300 0.085 0.000 0.967 390 D CA 0.951 54.947 54.000 -0.007 0.000 0.893 390 D CB 0.180 40.977 40.800 -0.004 0.000 1.037 390 D HN 0.702 nan 8.370 nan 0.000 0.477 391 N N -0.171 118.676 118.700 0.244 0.000 2.732 391 N HA 0.051 4.791 4.740 -0.000 0.000 0.259 391 N C 0.438 176.114 175.510 0.276 0.000 1.402 391 N CA -0.502 52.708 53.050 0.266 0.000 0.829 391 N CB 2.793 41.343 38.487 0.106 0.000 1.495 391 N HN -0.239 nan 8.380 nan 0.000 0.511 392 E N 0.542 120.947 120.200 0.342 0.000 2.038 392 E HA -0.283 4.067 4.350 -0.000 0.000 0.195 392 E C 1.418 178.039 176.600 0.035 0.000 1.000 392 E CA 1.691 58.272 56.400 0.301 0.000 0.803 392 E CB 0.028 29.870 29.700 0.237 0.000 0.750 392 E HN 0.726 nan 8.360 nan 0.000 0.448 393 E N 0.319 120.515 120.200 -0.008 0.000 2.051 393 E HA -0.289 4.061 4.350 -0.000 0.000 0.192 393 E C 2.233 178.723 176.600 -0.182 0.000 0.991 393 E CA 1.445 57.802 56.400 -0.072 0.000 0.799 393 E CB -0.114 29.553 29.700 -0.055 0.000 0.748 393 E HN 0.302 nan 8.360 nan 0.000 0.449 394 Q N 0.293 119.934 119.800 -0.265 0.000 2.061 394 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 394 Q C 2.259 177.794 176.000 -0.774 0.000 0.984 394 Q CA 1.787 57.263 55.803 -0.546 0.000 0.846 394 Q CB -0.097 28.273 28.738 -0.614 0.000 0.902 394 Q HN 0.323 nan 8.270 nan 0.000 0.421 395 V N -0.077 119.425 119.914 -0.687 0.000 2.453 395 V HA -0.156 3.964 4.120 -0.000 0.000 0.247 395 V C 2.191 177.985 176.094 -0.500 0.000 1.048 395 V CA 1.226 63.038 62.300 -0.813 0.000 1.049 395 V CB 0.050 30.980 31.823 -1.487 0.000 0.672 395 V HN 0.310 nan 8.190 nan 0.000 0.457 396 V N 1.025 120.758 119.914 -0.301 0.000 2.343 396 V HA -0.214 3.906 4.120 -0.000 0.000 0.247 396 V C 2.374 178.421 176.094 -0.079 0.000 1.051 396 V CA 2.346 64.566 62.300 -0.133 0.000 1.036 396 V CB -0.914 30.878 31.823 -0.051 0.000 0.654 396 V HN 0.597 nan 8.190 nan 0.000 0.451 397 N N -0.917 117.717 118.700 -0.109 0.000 2.166 397 N HA -0.176 4.564 4.740 -0.000 0.000 0.186 397 N C 1.529 177.094 175.510 0.092 0.000 1.019 397 N CA 1.380 54.414 53.050 -0.026 0.000 0.856 397 N CB -0.355 38.101 38.487 -0.052 0.000 0.993 397 N HN 0.509 nan 8.380 nan 0.000 0.426 398 W N 1.626 122.836 121.300 -0.151 0.000 2.354 398 W HA 0.058 4.718 4.660 -0.000 0.000 0.315 398 W C 2.554 179.012 176.519 -0.102 0.000 1.206 398 W CA 0.877 58.131 57.345 -0.152 0.000 1.290 398 W CB -1.276 28.001 29.460 -0.304 0.000 1.152 398 W HN 0.059 nan 8.180 nan 0.000 0.489 399 A N 0.388 123.216 122.820 0.013 0.000 1.933 399 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 399 A C 1.826 179.611 177.584 0.336 0.000 1.175 399 A CA 1.865 53.994 52.037 0.153 0.000 0.628 399 A CB -0.847 18.174 19.000 0.035 0.000 0.814 399 A HN 0.253 nan 8.150 nan 0.000 0.444 400 N N 0.212 119.047 118.700 0.225 0.000 2.459 400 N HA -0.058 4.682 4.740 -0.000 0.000 0.181 400 N C -0.060 175.522 175.510 0.119 0.000 1.046 400 N CA 0.846 53.999 53.050 0.172 0.000 0.904 400 N CB -0.247 38.295 38.487 0.091 0.000 0.964 400 N HN 0.500 nan 8.380 nan 0.000 0.444 401 D N 0.353 120.845 120.400 0.153 0.000 2.563 401 D HA 0.179 4.819 4.640 -0.000 0.000 0.222 401 D C -0.895 175.488 176.300 0.138 0.000 1.145 401 D CA -0.100 53.974 54.000 0.123 0.000 1.001 401 D CB -0.071 40.813 40.800 0.140 0.000 1.049 401 D HN -0.112 nan 8.370 nan 0.000 0.515 402 S N 1.460 117.229 115.700 0.115 0.000 2.579 402 S HA 0.189 4.659 4.470 -0.000 0.000 0.272 402 S C 0.488 175.099 174.600 0.019 0.000 1.141 402 S CA -0.664 57.622 58.200 0.143 0.000 0.843 402 S CB 1.416 64.802 63.200 0.309 0.000 1.122 402 S HN 0.385 nan 8.310 nan 0.000 0.468 403 Q N 1.049 120.803 119.800 -0.077 0.000 2.424 403 Q HA 0.152 4.492 4.340 -0.000 0.000 0.204 403 Q C -0.604 175.207 176.000 -0.315 0.000 0.933 403 Q CA 0.459 56.113 55.803 -0.249 0.000 0.929 403 Q CB -0.193 28.317 28.738 -0.380 0.000 1.037 403 Q HN 0.645 nan 8.270 nan 0.000 0.511 404 Y N -0.069 120.247 120.300 0.027 0.000 2.354 404 Y HA 0.564 5.114 4.550 -0.000 0.000 0.322 404 Y C 1.059 176.899 175.900 -0.100 0.000 1.253 404 Y CA -0.199 57.923 58.100 0.038 0.000 1.272 404 Y CB 1.805 40.361 38.460 0.161 0.000 1.255 404 Y HN 0.068 nan 8.280 nan 0.000 0.500 405 G N 0.877 109.713 108.800 0.059 0.000 5.602 405 G HA2 0.144 4.104 3.960 -0.000 0.000 0.197 405 G HA3 0.144 4.104 3.960 -0.000 0.000 0.197 405 G C -0.075 174.820 174.900 -0.009 0.000 0.705 405 G CA -0.151 44.782 45.100 -0.279 0.000 0.662 405 G HN 0.569 nan 8.290 nan 0.000 0.365 406 L N 0.466 121.818 121.223 0.215 0.000 2.185 406 L HA 0.846 5.186 4.340 -0.000 0.000 0.198 406 L C 0.973 177.894 176.870 0.085 0.000 1.079 406 L CA 1.750 56.642 54.840 0.086 0.000 0.780 406 L CB 0.170 42.276 42.059 0.077 0.000 0.955 406 L HN 0.319 nan 8.230 nan 0.000 0.462 407 A N -1.758 121.185 122.820 0.204 0.000 2.593 407 A HA 0.814 5.134 4.320 -0.000 0.000 0.290 407 A C -1.015 176.559 177.584 -0.016 0.000 1.126 407 A CA 0.145 52.182 52.037 0.000 0.000 0.695 407 A CB 1.182 20.192 19.000 0.016 0.000 1.290 407 A HN 0.348 nan 8.150 nan 0.000 0.414 408 S N -0.692 114.947 115.700 -0.102 0.000 2.595 408 S HA 0.835 5.305 4.470 -0.000 0.000 0.270 408 S C -0.729 173.994 174.600 0.206 0.000 1.145 408 S CA 0.050 58.235 58.200 -0.025 0.000 0.825 408 S CB 1.014 64.016 63.200 -0.330 0.000 1.107 408 S HN 2.329 nan 8.310 nan 0.000 0.461 409 S N -0.336 115.593 115.700 0.381 0.000 2.564 409 S HA 0.850 5.320 4.470 -0.000 0.000 0.274 409 S C -1.318 173.509 174.600 0.377 0.000 1.124 409 S CA -0.772 57.695 58.200 0.445 0.000 0.869 409 S CB 1.483 65.159 63.200 0.793 0.000 1.105 409 S HN 1.937 nan 8.310 nan 0.000 0.472 410 V N 2.053 122.100 119.914 0.221 0.000 2.588 410 V HA 0.764 4.884 4.120 -0.000 0.000 0.304 410 V C -2.199 174.000 176.094 0.176 0.000 1.042 410 V CA -0.585 61.895 62.300 0.300 0.000 0.877 410 V CB 1.314 33.267 31.823 0.217 0.000 0.996 410 V HN 0.950 nan 8.190 nan 0.000 0.425 411 W N 4.316 125.784 121.300 0.280 0.000 2.411 411 W HA 0.785 5.445 4.660 -0.000 0.000 0.317 411 W C 0.074 176.766 176.519 0.288 0.000 1.030 411 W CA -0.369 57.122 57.345 0.242 0.000 1.239 411 W CB 1.819 31.406 29.460 0.212 0.000 1.304 411 W HN 0.710 nan 8.180 nan 0.000 0.437 412 T N 1.687 116.439 114.554 0.331 0.000 2.977 412 T HA 0.207 4.557 4.350 -0.000 0.000 0.345 412 T C 0.331 175.110 174.700 0.132 0.000 1.562 412 T CA -0.655 61.590 62.100 0.243 0.000 1.090 412 T CB 1.278 70.225 68.868 0.132 0.000 1.383 412 T HN 0.460 nan 8.240 nan 0.000 0.484 413 K N 1.089 121.557 120.400 0.112 0.000 2.400 413 K HA 0.105 4.425 4.320 -0.000 0.000 0.194 413 K C 0.068 176.695 176.600 0.045 0.000 1.033 413 K CA 0.111 56.444 56.287 0.077 0.000 1.021 413 K CB 0.116 32.665 32.500 0.082 0.000 0.808 413 K HN 0.558 nan 8.250 nan 0.000 0.505 414 D N 0.439 120.852 120.400 0.023 0.000 2.343 414 D HA -0.008 4.632 4.640 -0.000 0.000 0.255 414 D C 1.111 177.419 176.300 0.013 0.000 1.187 414 D CA -0.185 53.817 54.000 0.002 0.000 0.875 414 D CB 1.164 41.943 40.800 -0.036 0.000 1.136 414 D HN -0.273 nan 8.370 nan 0.000 0.469 415 V N 4.401 124.340 119.914 0.043 0.000 2.252 415 V HA -0.208 3.912 4.120 -0.000 0.000 0.249 415 V C 2.324 178.507 176.094 0.147 0.000 1.056 415 V CA 2.400 64.765 62.300 0.107 0.000 1.022 415 V CB -0.868 30.993 31.823 0.064 0.000 0.641 415 V HN 0.864 nan 8.190 nan 0.000 0.445 416 G N -0.754 108.078 108.800 0.053 0.000 2.459 416 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.217 416 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.217 416 G C 1.716 176.628 174.900 0.021 0.000 1.183 416 G CA 1.056 46.176 45.100 0.033 0.000 0.776 416 G HN 0.447 nan 8.290 nan 0.000 0.552 417 R N 0.589 121.059 120.500 -0.049 0.000 2.081 417 R HA 0.042 4.382 4.340 -0.000 0.000 0.235 417 R C 2.859 179.095 176.300 -0.106 0.000 1.131 417 R CA 1.448 57.464 56.100 -0.140 0.000 0.960 417 R CB -0.416 29.698 30.300 -0.309 0.000 0.856 417 R HN 0.282 nan 8.270 nan 0.000 0.436 418 A N 0.671 123.450 122.820 -0.069 0.000 1.908 418 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 418 A C 1.889 179.377 177.584 -0.159 0.000 1.181 418 A CA 1.524 53.497 52.037 -0.106 0.000 0.627 418 A CB -0.791 18.128 19.000 -0.134 0.000 0.818 418 A HN 0.485 nan 8.150 nan 0.000 0.445 419 H N -0.974 118.074 119.070 -0.037 0.000 2.403 419 H HA 0.020 4.576 4.556 -0.000 0.000 0.298 419 H C 2.397 177.708 175.328 -0.028 0.000 1.059 419 H CA 1.287 57.318 56.048 -0.030 0.000 1.363 419 H CB -0.057 29.688 29.762 -0.029 0.000 1.410 419 H HN 0.476 nan 8.280 nan 0.000 0.528 420 R N 0.371 120.914 120.500 0.072 0.000 2.080 420 R HA -0.097 4.243 4.340 -0.000 0.000 0.236 420 R C 2.490 178.798 176.300 0.014 0.000 1.137 420 R CA 1.334 57.450 56.100 0.028 0.000 0.943 420 R CB -0.330 29.970 30.300 -0.000 0.000 0.846 420 R HN 0.052 nan 8.270 nan 0.000 0.431 421 V N 0.433 120.349 119.914 0.004 0.000 2.343 421 V HA -0.234 3.886 4.120 -0.000 0.000 0.247 421 V C 2.248 178.353 176.094 0.018 0.000 1.051 421 V CA 1.894 64.210 62.300 0.028 0.000 1.036 421 V CB -0.395 31.473 31.823 0.075 0.000 0.654 421 V HN 0.303 nan 8.190 nan 0.000 0.451 422 S N 0.068 115.759 115.700 -0.016 0.000 2.383 422 S HA -0.186 4.284 4.470 -0.000 0.000 0.229 422 S C 2.206 176.797 174.600 -0.016 0.000 1.030 422 S CA 1.450 59.628 58.200 -0.037 0.000 1.002 422 S CB -0.468 62.669 63.200 -0.105 0.000 0.829 422 S HN 0.659 nan 8.310 nan 0.000 0.467 423 A N 1.544 124.364 122.820 0.000 0.000 1.933 423 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 423 A C 2.097 179.684 177.584 0.006 0.000 1.175 423 A CA 1.177 53.218 52.037 0.007 0.000 0.628 423 A CB -0.305 18.707 19.000 0.020 0.000 0.814 423 A HN 0.457 nan 8.150 nan 0.000 0.444 424 R N -1.160 119.349 120.500 0.015 0.000 2.254 424 R HA 0.293 4.633 4.340 -0.000 0.000 0.195 424 R C -0.219 176.107 176.300 0.044 0.000 0.957 424 R CA -0.275 55.837 56.100 0.020 0.000 1.024 424 R CB -0.150 30.160 30.300 0.016 0.000 0.952 424 R HN 0.365 nan 8.270 nan 0.000 0.484 425 L N 2.280 123.547 121.223 0.072 0.000 2.455 425 L HA -0.002 4.338 4.340 -0.000 0.000 0.272 425 L C 0.401 177.367 176.870 0.159 0.000 1.174 425 L CA 0.376 55.318 54.840 0.170 0.000 0.869 425 L CB 0.734 42.903 42.059 0.183 0.000 1.130 425 L HN 0.051 nan 8.230 nan 0.000 0.474 426 Q N 4.015 123.895 119.800 0.133 0.000 3.207 426 Q HA 0.257 4.597 4.340 -0.000 0.000 0.335 426 Q C -1.588 174.166 176.000 -0.411 0.000 1.374 426 Q CA -0.008 55.726 55.803 -0.115 0.000 1.023 426 Q CB 0.073 28.713 28.738 -0.163 0.000 1.576 426 Q HN 0.393 nan 8.270 nan 0.000 0.515 427 Y N -2.016 118.257 120.300 -0.045 0.000 2.492 427 Y HA 0.325 4.875 4.550 -0.000 0.000 0.346 427 Y C 1.260 177.084 175.900 -0.128 0.000 0.997 427 Y CA -1.028 57.033 58.100 -0.064 0.000 1.025 427 Y CB 1.658 40.092 38.460 -0.044 0.000 1.263 427 Y HN 0.303 nan 8.280 nan 0.000 0.454 428 G N 0.400 109.172 108.800 -0.048 0.000 2.450 428 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.220 428 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.220 428 G C 0.155 174.936 174.900 -0.198 0.000 1.130 428 G CA 1.104 46.120 45.100 -0.140 0.000 0.760 428 G HN 0.583 nan 8.290 nan 0.000 0.557 429 C N -0.201 118.948 119.300 -0.251 0.000 2.626 429 C HA 0.762 5.222 4.460 -0.000 0.000 0.310 429 C C -0.602 174.085 174.990 -0.505 0.000 1.191 429 C CA -0.536 58.195 59.018 -0.478 0.000 1.517 429 C CB 1.383 28.649 27.740 -0.790 0.000 2.102 429 C HN 0.110 nan 8.230 nan 0.000 0.479 430 T N 5.853 120.104 114.554 -0.505 0.000 2.890 430 T HA 0.444 4.794 4.350 -0.000 0.000 0.295 430 T C -0.832 173.633 174.700 -0.391 0.000 0.993 430 T CA -0.151 61.731 62.100 -0.364 0.000 0.979 430 T CB 0.413 69.182 68.868 -0.165 0.000 0.967 430 T HN 0.700 nan 8.240 nan 0.000 0.441 431 W N 2.501 123.719 121.300 -0.137 0.000 2.376 431 W HA 0.567 5.227 4.660 -0.000 0.000 0.322 431 W C -0.425 175.958 176.519 -0.225 0.000 1.160 431 W CA -0.834 56.401 57.345 -0.183 0.000 1.218 431 W CB 1.004 30.335 29.460 -0.215 0.000 1.205 431 W HN 0.234 nan 8.180 nan 0.000 0.559 432 V N 4.374 124.251 119.914 -0.061 0.000 2.378 432 V HA 0.115 4.235 4.120 -0.000 0.000 0.288 432 V C 0.212 176.081 176.094 -0.374 0.000 1.016 432 V CA -0.800 61.373 62.300 -0.212 0.000 0.840 432 V CB 1.064 32.781 31.823 -0.177 0.000 0.994 432 V HN 0.686 nan 8.190 nan 0.000 0.431 433 N N 1.952 120.194 118.700 -0.764 0.000 2.741 433 N HA -0.161 4.579 4.740 -0.000 0.000 0.250 433 N C 0.028 174.846 175.510 -1.153 0.000 1.115 433 N CA 1.613 54.041 53.050 -1.037 0.000 0.724 433 N CB -0.799 37.494 38.487 -0.324 0.000 1.090 433 N HN 0.884 nan 8.380 nan 0.000 0.558 434 T N -2.172 111.726 114.554 -1.092 0.000 2.653 434 T HA 0.556 4.906 4.350 -0.000 0.000 0.306 434 T C -2.058 172.545 174.700 -0.162 0.000 1.426 434 T CA -0.351 61.506 62.100 -0.404 0.000 1.008 434 T CB 1.525 70.285 68.868 -0.180 0.000 1.692 434 T HN 0.368 nan 8.240 nan 0.000 0.483 435 H N -1.207 117.470 119.070 -0.655 0.000 2.987 435 H HA 0.510 5.066 4.556 -0.000 0.000 0.316 435 H C -0.279 173.850 175.328 -1.997 0.000 1.380 435 H CA 0.154 55.486 56.048 -1.193 0.000 1.160 435 H CB 0.968 30.420 29.762 -0.518 0.000 1.865 435 H HN 0.731 nan 8.280 nan 0.000 0.521 436 F N 0.380 118.607 119.950 -2.871 0.000 2.748 436 F HA -0.244 4.283 4.527 -0.000 0.000 0.370 436 F C -0.811 174.435 175.800 -0.924 0.000 0.620 436 F CA 0.449 57.544 58.000 -1.510 0.000 1.233 436 F CB -0.381 37.973 39.000 -1.076 0.000 1.708 436 F HN 0.369 nan 8.300 nan 0.000 0.298 437 M N 2.715 121.764 119.600 -0.918 0.000 2.108 437 M HA 0.470 4.950 4.480 -0.000 0.000 0.354 437 M C -0.174 176.164 176.300 0.064 0.000 1.229 437 M CA 0.182 55.309 55.300 -0.289 0.000 1.081 437 M CB 0.932 33.419 32.600 -0.188 0.000 1.606 437 M HN 0.061 nan 8.290 nan 0.000 0.467 438 L N 3.983 125.186 121.223 -0.033 0.000 2.354 438 L HA 0.864 5.204 4.340 -0.000 0.000 0.269 438 L C -0.326 176.509 176.870 -0.058 0.000 1.005 438 L CA -1.128 53.713 54.840 0.002 0.000 0.819 438 L CB 2.249 44.283 42.059 -0.041 0.000 1.311 438 L HN 0.542 nan 8.230 nan 0.000 0.423 439 V N -1.615 118.241 119.914 -0.097 0.000 2.962 439 V HA 0.440 4.560 4.120 -0.000 0.000 0.313 439 V C 0.577 176.499 176.094 -0.287 0.000 1.099 439 V CA -0.534 61.675 62.300 -0.151 0.000 0.971 439 V CB 1.639 33.388 31.823 -0.124 0.000 1.028 439 V HN 0.762 nan 8.190 nan 0.000 0.430 440 S N 1.630 117.112 115.700 -0.364 0.000 2.419 440 S HA -0.139 4.331 4.470 -0.000 0.000 0.235 440 S C 1.553 175.444 174.600 -1.183 0.000 1.019 440 S CA 1.877 59.676 58.200 -0.669 0.000 0.982 440 S CB -0.291 62.561 63.200 -0.581 0.000 0.789 440 S HN 1.020 nan 8.310 nan 0.000 0.490 441 E N 0.162 119.826 120.200 -0.893 0.000 2.481 441 E HA 0.069 4.419 4.350 -0.000 0.000 0.195 441 E C 0.168 176.524 176.600 -0.407 0.000 1.047 441 E CA 0.267 56.159 56.400 -0.846 0.000 0.867 441 E CB -0.115 29.329 29.700 -0.427 0.000 0.858 441 E HN 0.373 nan 8.360 nan 0.000 0.513 442 M N 2.614 122.029 119.600 -0.309 0.000 2.364 442 M HA 0.400 4.880 4.480 -0.000 0.000 0.334 442 M C -2.511 173.714 176.300 -0.126 0.000 1.107 442 M CA -2.772 52.440 55.300 -0.147 0.000 0.988 442 M CB 1.632 34.165 32.600 -0.112 0.000 1.673 442 M HN -0.226 nan 8.290 nan 0.000 0.441 443 P HA 0.141 nan 4.420 nan 0.000 0.275 443 P C -1.074 176.204 177.300 -0.037 0.000 1.228 443 P CA 0.129 63.227 63.100 -0.003 0.000 0.786 443 P CB 0.841 32.591 31.700 0.083 0.000 0.927 444 H N 0.982 119.954 119.070 -0.163 0.000 2.658 444 H HA 0.615 5.171 4.556 -0.000 0.000 0.337 444 H C -0.866 174.404 175.328 -0.097 0.000 1.009 444 H CA -0.461 55.497 56.048 -0.150 0.000 1.231 444 H CB 1.345 30.982 29.762 -0.208 0.000 1.508 444 H HN 0.752 nan 8.280 nan 0.000 0.517 445 G N 1.963 110.509 108.800 -0.422 0.000 2.387 445 G HA2 0.406 4.366 3.960 -0.000 0.000 0.294 445 G HA3 0.406 4.366 3.960 -0.000 0.000 0.294 445 G C -1.075 173.669 174.900 -0.260 0.000 1.509 445 G CA -0.203 44.715 45.100 -0.303 0.000 0.806 445 G HN 0.805 nan 8.290 nan 0.000 0.546 446 G N -1.406 107.276 108.800 -0.197 0.000 2.795 446 G HA2 0.715 4.675 3.960 -0.000 0.000 0.267 446 G HA3 0.715 4.675 3.960 -0.000 0.000 0.267 446 G C -0.587 174.246 174.900 -0.113 0.000 1.362 446 G CA -0.363 44.653 45.100 -0.141 0.000 1.048 446 G HN 0.678 nan 8.290 nan 0.000 0.547 447 Q N -1.325 118.410 119.800 -0.108 0.000 2.605 447 Q HA 0.438 4.778 4.340 -0.000 0.000 0.296 447 Q C -0.431 175.512 176.000 -0.094 0.000 1.056 447 Q CA -0.823 54.921 55.803 -0.098 0.000 0.778 447 Q CB 2.663 31.311 28.738 -0.151 0.000 1.497 447 Q HN 0.696 nan 8.270 nan 0.000 0.443 448 K N -0.784 119.569 120.400 -0.078 0.000 1.987 448 K HA -0.295 4.025 4.320 -0.000 0.000 0.206 448 K C 0.732 177.289 176.600 -0.071 0.000 1.587 448 K CA 1.049 57.287 56.287 -0.082 0.000 0.589 448 K CB -1.164 31.262 32.500 -0.124 0.000 0.682 448 K HN 0.374 nan 8.250 nan 0.000 0.876 449 L N 1.416 122.571 121.223 -0.113 0.000 2.551 449 L HA -0.017 4.323 4.340 -0.000 0.000 0.228 449 L C 2.139 178.953 176.870 -0.094 0.000 1.153 449 L CA 1.336 56.103 54.840 -0.122 0.000 0.851 449 L CB -0.266 41.676 42.059 -0.195 0.000 0.959 449 L HN 0.423 nan 8.230 nan 0.000 0.451 450 S N -0.618 115.051 115.700 -0.052 0.000 2.507 450 S HA 0.262 4.732 4.470 -0.000 0.000 0.235 450 S C 1.179 175.715 174.600 -0.107 0.000 0.988 450 S CA 0.686 58.883 58.200 -0.006 0.000 0.944 450 S CB -0.221 63.007 63.200 0.047 0.000 0.762 450 S HN 0.676 nan 8.310 nan 0.000 0.526 451 G N 0.396 109.103 108.800 -0.154 0.000 2.378 451 G HA2 0.022 3.982 3.960 -0.000 0.000 0.198 451 G HA3 0.022 3.982 3.960 -0.000 0.000 0.198 451 G C -1.219 173.522 174.900 -0.266 0.000 1.223 451 G CA -0.406 44.479 45.100 -0.359 0.000 1.088 451 G HN 0.628 nan 8.290 nan 0.000 0.530 452 Y N -2.501 117.703 120.300 -0.160 0.000 2.677 452 Y HA 0.730 5.280 4.550 -0.000 0.000 0.334 452 Y C 0.512 176.227 175.900 -0.309 0.000 1.196 452 Y CA -0.469 57.518 58.100 -0.189 0.000 1.059 452 Y CB 0.856 39.229 38.460 -0.146 0.000 1.315 452 Y HN 2.713 nan 8.280 nan 0.000 0.455 453 G N 1.503 110.259 108.800 -0.074 0.000 2.663 453 G HA2 0.257 4.217 3.960 -0.000 0.000 0.686 453 G HA3 0.257 4.217 3.960 -0.000 0.000 0.686 453 G C -1.889 172.865 174.900 -0.245 0.000 1.246 453 G CA -1.124 43.800 45.100 -0.294 0.000 0.795 453 G HN 0.576 nan 8.290 nan 0.000 0.627 454 K N 0.730 121.154 120.400 0.040 0.000 2.259 454 K HA 0.645 4.965 4.320 -0.000 0.000 0.249 454 K C -0.767 176.000 176.600 0.278 0.000 0.942 454 K CA -0.867 55.486 56.287 0.110 0.000 0.816 454 K CB 1.996 34.580 32.500 0.139 0.000 1.155 454 K HN 0.575 nan 8.250 nan 0.000 0.428 455 D N 1.763 122.253 120.400 0.149 0.000 2.228 455 D HA 0.456 5.096 4.640 -0.000 0.000 0.247 455 D C 0.717 176.917 176.300 -0.166 0.000 0.995 455 D CA -0.240 53.768 54.000 0.014 0.000 0.903 455 D CB 1.084 41.788 40.800 -0.161 0.000 1.205 455 D HN 0.413 nan 8.370 nan 0.000 0.459 456 M N 0.177 119.709 119.600 -0.113 0.000 7.319 456 M HA -0.316 4.164 4.480 -0.000 0.000 0.157 456 M C 0.242 176.555 176.300 0.022 0.000 0.480 456 M CA 0.905 56.150 55.300 -0.091 0.000 1.311 456 M CB -0.866 31.449 32.600 -0.476 0.000 0.421 456 M HN 0.900 nan 8.290 nan 0.000 0.190 457 S N -1.209 114.338 115.700 -0.256 0.000 3.914 457 S HA -0.173 4.297 4.470 -0.000 0.000 0.674 457 S C 0.312 175.032 174.600 0.201 0.000 1.528 457 S CA 0.191 58.327 58.200 -0.107 0.000 1.636 457 S CB -0.691 62.519 63.200 0.017 0.000 0.356 457 S HN 0.899 nan 8.310 nan 0.000 1.280 458 L N 0.514 121.789 121.223 0.087 0.000 2.191 458 L HA -0.099 4.241 4.340 -0.000 0.000 0.212 458 L C 2.351 179.216 176.870 -0.009 0.000 1.103 458 L CA 1.991 56.830 54.840 -0.002 0.000 0.769 458 L CB -0.649 41.287 42.059 -0.205 0.000 0.908 458 L HN 0.772 nan 8.230 nan 0.000 0.438 459 Y N -0.331 120.059 120.300 0.149 0.000 2.293 459 Y HA -0.117 4.433 4.550 -0.000 0.000 0.291 459 Y C 2.538 178.548 175.900 0.183 0.000 1.137 459 Y CA 1.045 59.220 58.100 0.124 0.000 1.202 459 Y CB -1.110 37.392 38.460 0.070 0.000 0.990 459 Y HN 0.099 nan 8.280 nan 0.000 0.537 460 G N -0.338 108.700 108.800 0.397 0.000 2.422 460 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.218 460 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.218 460 G C 1.623 176.753 174.900 0.383 0.000 1.140 460 G CA 0.866 46.207 45.100 0.403 0.000 0.775 460 G HN 0.335 nan 8.290 nan 0.000 0.545 461 L N 0.715 122.195 121.223 0.429 0.000 2.044 461 L HA 0.130 4.470 4.340 -0.000 0.000 0.205 461 L C 2.587 179.602 176.870 0.242 0.000 1.075 461 L CA 1.888 56.916 54.840 0.312 0.000 0.747 461 L CB -0.803 41.458 42.059 0.337 0.000 0.903 461 L HN 0.342 nan 8.230 nan 0.000 0.435 462 E N -0.415 119.904 120.200 0.199 0.000 2.130 462 E HA -0.255 4.095 4.350 -0.000 0.000 0.196 462 E C 1.649 178.323 176.600 0.123 0.000 0.998 462 E CA 1.295 57.782 56.400 0.146 0.000 0.806 462 E CB -0.258 29.526 29.700 0.140 0.000 0.738 462 E HN 0.544 nan 8.360 nan 0.000 0.459 463 D N -0.117 120.357 120.400 0.123 0.000 2.265 463 D HA -0.151 4.489 4.640 -0.000 0.000 0.208 463 D C 0.720 176.895 176.300 -0.208 0.000 0.977 463 D CA 1.100 55.087 54.000 -0.021 0.000 0.871 463 D CB -0.074 40.708 40.800 -0.030 0.000 0.925 463 D HN 0.341 nan 8.370 nan 0.000 0.485 464 Y N -0.110 120.195 120.300 0.009 0.000 2.571 464 Y HA 0.151 4.701 4.550 -0.000 0.000 0.275 464 Y C 0.918 176.826 175.900 0.014 0.000 1.179 464 Y CA -0.216 57.873 58.100 -0.018 0.000 1.242 464 Y CB 0.205 38.626 38.460 -0.064 0.000 1.126 464 Y HN -0.167 nan 8.280 nan 0.000 0.524 465 T N -3.421 111.197 114.554 0.108 0.000 2.907 465 T HA 0.670 5.020 4.350 -0.000 0.000 0.290 465 T C -1.106 173.627 174.700 0.056 0.000 1.066 465 T CA -0.994 61.160 62.100 0.091 0.000 1.012 465 T CB 1.860 70.779 68.868 0.085 0.000 1.184 465 T HN -0.188 nan 8.240 nan 0.000 0.522 466 V N 1.339 121.287 119.914 0.056 0.000 2.540 466 V HA 0.640 4.760 4.120 -0.000 0.000 0.302 466 V C -0.574 175.545 176.094 0.041 0.000 1.035 466 V CA -0.725 61.599 62.300 0.040 0.000 0.873 466 V CB 1.621 33.466 31.823 0.038 0.000 0.992 466 V HN 0.957 nan 8.190 nan 0.000 0.428 467 V N 8.325 128.258 119.914 0.031 0.000 2.555 467 V HA 0.503 4.623 4.120 -0.000 0.000 0.286 467 V C 0.406 176.522 176.094 0.038 0.000 1.044 467 V CA -0.105 62.213 62.300 0.031 0.000 1.026 467 V CB 1.139 32.972 31.823 0.017 0.000 0.981 467 V HN 0.909 nan 8.190 nan 0.000 0.480 468 R N 2.806 123.335 120.500 0.049 0.000 2.686 468 R HA 0.462 4.802 4.340 -0.000 0.000 0.286 468 R C -0.750 175.618 176.300 0.113 0.000 0.969 468 R CA -0.770 55.370 56.100 0.067 0.000 0.898 468 R CB 2.186 32.516 30.300 0.051 0.000 1.183 468 R HN 0.847 nan 8.270 nan 0.000 0.456 469 H N 2.503 121.570 119.070 -0.005 0.000 2.504 469 H HA 0.383 4.939 4.556 -0.000 0.000 0.322 469 H C -1.186 174.146 175.328 0.006 0.000 1.055 469 H CA -0.757 55.286 56.048 -0.008 0.000 1.231 469 H CB 1.177 30.925 29.762 -0.024 0.000 1.417 469 H HN 0.179 nan 8.280 nan 0.000 0.472 470 V N 7.509 127.393 119.914 -0.050 0.000 2.417 470 V HA 0.231 4.351 4.120 -0.000 0.000 0.291 470 V C -0.028 175.951 176.094 -0.191 0.000 1.024 470 V CA -0.640 61.576 62.300 -0.140 0.000 0.861 470 V CB 1.532 33.339 31.823 -0.027 0.000 0.985 470 V HN 0.799 nan 8.190 nan 0.000 0.436 471 M N 6.060 125.509 119.600 -0.251 0.000 2.142 471 M HA 0.613 5.093 4.480 -0.000 0.000 0.299 471 M C -1.911 174.378 176.300 -0.019 0.000 0.960 471 M CA -0.448 54.775 55.300 -0.128 0.000 0.920 471 M CB 1.705 34.165 32.600 -0.232 0.000 1.541 471 M HN 0.419 nan 8.290 nan 0.000 0.429 472 V N 5.314 125.248 119.914 0.032 0.000 2.347 472 V HA 0.356 4.476 4.120 -0.000 0.000 0.280 472 V C -0.042 176.025 176.094 -0.046 0.000 1.021 472 V CA -0.739 61.573 62.300 0.021 0.000 0.847 472 V CB 1.469 33.325 31.823 0.055 0.000 0.990 472 V HN 0.805 nan 8.190 nan 0.000 0.444 473 K N 6.165 126.497 120.400 -0.112 0.000 2.350 473 K HA 0.333 4.653 4.320 -0.000 0.000 0.279 473 K C -0.073 176.400 176.600 -0.212 0.000 1.027 473 K CA -0.208 55.852 56.287 -0.379 0.000 0.969 473 K CB 0.399 32.711 32.500 -0.313 0.000 0.954 473 K HN 1.030 nan 8.250 nan 0.000 0.474 474 H N 0.000 118.928 119.070 -0.237 0.000 2.539 474 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 474 H CA 0.000 55.972 56.048 -0.127 0.000 1.023 474 H CB 0.000 29.716 29.762 -0.077 0.000 1.292 474 H HN 0.000 nan 8.280 nan 0.000 0.496