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 1lyl_1_A DATA FIRST_RESID 14 DATA SEQUENCE FNDELRNRRE KLAALRQQGV AFPNDFRRDH TSDQLHEEFD AKDNQELESL DATA SEQUENCE NIEVSVAGRM MTRRIMGKAS FVTLQDVGGR IQLYVARDSL PEGVYNDQFK DATA SEQUENCE KWDLGDIIGA RGTLFKTQTG ELSIHCTELR LLTKALRPLP XXXXXXXDQE DATA SEQUENCE VRYRQRYLDL IANDKSRQTF VVRSKILAAI RQFMVARGFM EVETPMMQVI DATA SEQUENCE PGGASARPFI THHNALDLDM YLRIAPELYL KRLVVGGFER VFEINRNFRN DATA SEQUENCE EGISVRHNPE FTMMELYMAY ADYHDLIELT ESLFRTLAQE VLGTTKVTYG DATA SEQUENCE EHVFDFGKPF EKLTMREAIK KYRPETDMAD LDNFDAAKAL AESIGITVEK DATA SEQUENCE SWGLGRIVTE IFDEVAEAHL IQPTFITEYP AEVSPLARRN DVNPEITDRF DATA SEQUENCE EFFIGGREIG NGFSELNDAE DQAERFQEQV NAKAAGDDEA MFYDEDYVTA DATA SEQUENCE LEYGLPPTAG LGIGIDRMIM LFTNSHTIRD VILFPAMRP 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 14 F HA 0.000 nan 4.527 nan 0.000 0.279 14 F C 0.000 175.806 175.800 0.010 0.000 0.967 14 F CA 0.000 58.005 58.000 0.009 0.000 1.383 14 F CB 0.000 39.006 39.000 0.010 0.000 1.145 15 N N 1.217 119.976 118.700 0.098 0.000 2.205 15 N HA -0.108 4.632 4.740 -0.000 0.000 0.186 15 N C 1.220 176.690 175.510 -0.067 0.000 1.015 15 N CA 2.885 55.928 53.050 -0.011 0.000 0.862 15 N CB -1.923 36.603 38.487 0.066 0.000 0.986 15 N HN 0.687 nan 8.380 nan 0.000 0.429 16 D N -0.215 120.165 120.400 -0.033 0.000 2.194 16 D HA -0.066 4.574 4.640 -0.000 0.000 0.204 16 D C 1.859 178.115 176.300 -0.074 0.000 0.964 16 D CA 0.994 54.971 54.000 -0.039 0.000 0.846 16 D CB -0.404 40.390 40.800 -0.009 0.000 0.962 16 D HN 0.585 nan 8.370 nan 0.000 0.490 17 E N 0.104 120.240 120.200 -0.106 0.000 2.051 17 E HA -0.096 4.254 4.350 -0.000 0.000 0.192 17 E C 2.535 179.021 176.600 -0.190 0.000 0.991 17 E CA 0.499 56.819 56.400 -0.135 0.000 0.799 17 E CB -0.219 29.396 29.700 -0.142 0.000 0.748 17 E HN 0.557 nan 8.360 nan 0.000 0.449 18 L N 0.123 121.162 121.223 -0.307 0.000 2.042 18 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 18 L C 3.021 179.806 176.870 -0.141 0.000 1.076 18 L CA 1.921 56.601 54.840 -0.267 0.000 0.749 18 L CB -1.050 40.804 42.059 -0.342 0.000 0.893 18 L HN 0.103 nan 8.230 nan 0.000 0.432 19 R N 0.350 120.783 120.500 -0.111 0.000 2.073 19 R HA -0.186 4.154 4.340 -0.000 0.000 0.234 19 R C 1.911 178.178 176.300 -0.055 0.000 1.134 19 R CA 1.907 57.967 56.100 -0.066 0.000 0.952 19 R CB -1.635 28.635 30.300 -0.049 0.000 0.850 19 R HN 0.384 nan 8.270 nan 0.000 0.433 20 N N 0.203 118.867 118.700 -0.060 0.000 2.043 20 N HA -0.129 4.611 4.740 -0.000 0.000 0.193 20 N C 2.003 177.487 175.510 -0.044 0.000 1.037 20 N CA 1.794 54.816 53.050 -0.047 0.000 0.851 20 N CB -0.249 38.210 38.487 -0.047 0.000 1.027 20 N HN 0.603 nan 8.380 nan 0.000 0.422 21 R N 0.204 120.671 120.500 -0.055 0.000 2.081 21 R HA -0.007 4.333 4.340 -0.000 0.000 0.235 21 R C 2.326 178.604 176.300 -0.037 0.000 1.131 21 R CA 1.055 57.127 56.100 -0.046 0.000 0.960 21 R CB -0.186 30.081 30.300 -0.055 0.000 0.856 21 R HN 0.195 nan 8.270 nan 0.000 0.436 22 R N 1.032 121.508 120.500 -0.040 0.000 2.092 22 R HA -0.124 4.216 4.340 -0.000 0.000 0.231 22 R C 1.801 178.090 176.300 -0.020 0.000 1.119 22 R CA 1.443 57.528 56.100 -0.025 0.000 0.970 22 R CB 0.096 30.380 30.300 -0.027 0.000 0.864 22 R HN 0.285 nan 8.270 nan 0.000 0.440 23 E N -0.021 120.165 120.200 -0.024 0.000 2.106 23 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 23 E C 1.846 178.435 176.600 -0.019 0.000 0.984 23 E CA 1.224 57.613 56.400 -0.019 0.000 0.806 23 E CB 0.126 29.813 29.700 -0.021 0.000 0.750 23 E HN 0.290 nan 8.360 nan 0.000 0.458 24 K N 0.685 121.072 120.400 -0.022 0.000 2.097 24 K HA -0.084 4.236 4.320 -0.000 0.000 0.206 24 K C 2.224 178.806 176.600 -0.030 0.000 1.049 24 K CA 0.647 56.923 56.287 -0.019 0.000 0.933 24 K CB -0.073 32.420 32.500 -0.012 0.000 0.717 24 K HN 0.128 nan 8.250 nan 0.000 0.442 25 L N 0.664 121.864 121.223 -0.038 0.000 2.046 25 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 25 L C 2.377 179.225 176.870 -0.036 0.000 1.077 25 L CA 1.336 56.142 54.840 -0.056 0.000 0.747 25 L CB -0.487 41.556 42.059 -0.026 0.000 0.896 25 L HN 0.206 nan 8.230 nan 0.000 0.432 26 A N -0.130 122.681 122.820 -0.015 0.000 1.908 26 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 26 A C 2.434 180.012 177.584 -0.010 0.000 1.181 26 A CA 1.876 53.910 52.037 -0.006 0.000 0.627 26 A CB -0.769 18.229 19.000 -0.003 0.000 0.818 26 A HN 0.558 nan 8.150 nan 0.000 0.445 27 A N -0.440 122.371 122.820 -0.015 0.000 1.902 27 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 27 A C 2.190 179.764 177.584 -0.016 0.000 1.181 27 A CA 1.452 53.481 52.037 -0.012 0.000 0.623 27 A CB -0.567 18.428 19.000 -0.009 0.000 0.818 27 A HN 0.480 nan 8.150 nan 0.000 0.443 28 L N -1.003 120.199 121.223 -0.034 0.000 1.994 28 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 28 L C 2.913 179.755 176.870 -0.047 0.000 1.071 28 L CA 1.659 56.466 54.840 -0.055 0.000 0.745 28 L CB -0.517 41.469 42.059 -0.123 0.000 0.892 28 L HN 0.377 nan 8.230 nan 0.000 0.431 29 R N -0.473 120.004 120.500 -0.038 0.000 2.103 29 R HA -0.251 4.089 4.340 -0.000 0.000 0.242 29 R C 2.267 178.568 176.300 0.002 0.000 1.142 29 R CA 1.535 57.631 56.100 -0.006 0.000 0.960 29 R CB -0.387 29.925 30.300 0.019 0.000 0.858 29 R HN 0.253 nan 8.270 nan 0.000 0.439 30 Q N 0.994 120.793 119.800 -0.001 0.000 2.297 30 Q HA -0.170 4.170 4.340 -0.000 0.000 0.208 30 Q C 1.166 177.168 176.000 0.003 0.000 0.981 30 Q CA 1.600 57.405 55.803 0.003 0.000 0.876 30 Q CB 0.131 28.869 28.738 0.001 0.000 0.921 30 Q HN 0.542 nan 8.270 nan 0.000 0.446 31 Q N -2.456 117.345 119.800 0.000 0.000 2.172 31 Q HA 0.449 4.789 4.340 -0.000 0.000 0.217 31 Q C 0.430 176.434 176.000 0.006 0.000 0.832 31 Q CA 0.123 55.929 55.803 0.004 0.000 1.010 31 Q CB 0.999 29.740 28.738 0.006 0.000 1.133 31 Q HN 0.154 nan 8.270 nan 0.000 0.489 32 G N 0.442 109.245 108.800 0.006 0.000 2.233 32 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.162 32 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.162 32 G C -1.358 173.549 174.900 0.011 0.000 1.327 32 G CA -0.386 44.721 45.100 0.011 0.000 1.187 32 G HN 0.111 nan 8.290 nan 0.000 0.479 33 V N 1.949 121.870 119.914 0.011 0.000 2.432 33 V HA 0.564 4.684 4.120 -0.000 0.000 0.271 33 V C 1.422 177.495 176.094 -0.035 0.000 1.046 33 V CA 0.730 63.041 62.300 0.018 0.000 0.945 33 V CB 0.638 32.482 31.823 0.034 0.000 0.992 33 V HN 1.605 nan 8.190 nan 0.000 0.471 34 A N 4.034 126.813 122.820 -0.068 0.000 2.030 34 A HA 0.304 4.624 4.320 -0.000 0.000 0.215 34 A C 0.788 178.049 177.584 -0.539 0.000 1.164 34 A CA 0.638 52.486 52.037 -0.314 0.000 0.697 34 A CB -0.019 18.748 19.000 -0.389 0.000 0.827 34 A HN 0.659 nan 8.150 nan 0.000 0.457 35 F N 1.601 121.537 119.950 -0.023 0.000 2.471 35 F HA 0.304 4.831 4.527 -0.000 0.000 0.318 35 F C -2.208 173.583 175.800 -0.015 0.000 1.308 35 F CA -2.560 55.423 58.000 -0.028 0.000 1.162 35 F CB 0.764 39.748 39.000 -0.025 0.000 1.383 35 F HN 0.069 nan 8.300 nan 0.000 0.552 36 P HA 0.160 nan 4.420 nan 0.000 0.274 36 P C -0.138 177.215 177.300 0.088 0.000 1.231 36 P CA -0.130 63.014 63.100 0.073 0.000 0.790 36 P CB 1.191 32.915 31.700 0.040 0.000 0.951 37 N N 0.137 118.887 118.700 0.084 0.000 2.299 37 N HA -0.014 4.726 4.740 -0.000 0.000 0.246 37 N C 0.032 175.591 175.510 0.081 0.000 1.254 37 N CA -0.220 52.880 53.050 0.083 0.000 0.879 37 N CB -0.576 37.949 38.487 0.063 0.000 1.214 37 N HN 0.335 nan 8.380 nan 0.000 0.510 38 D N -1.382 119.073 120.400 0.093 0.000 2.354 38 D HA 0.048 4.688 4.640 -0.000 0.000 0.209 38 D C -0.050 176.303 176.300 0.089 0.000 1.015 38 D CA -0.448 53.596 54.000 0.075 0.000 0.867 38 D CB -0.110 40.727 40.800 0.062 0.000 0.933 38 D HN 0.166 nan 8.370 nan 0.000 0.520 39 F N 2.077 122.035 119.950 0.012 0.000 2.495 39 F HA 0.338 4.865 4.527 0.000 0.000 0.365 39 F C 0.124 175.934 175.800 0.016 0.000 1.090 39 F CA -0.506 57.502 58.000 0.013 0.000 1.235 39 F CB 0.538 39.542 39.000 0.007 0.000 1.119 39 F HN -0.262 nan 8.300 nan 0.000 0.562 40 R N 5.620 125.649 120.500 -0.785 0.000 2.534 40 R HA 0.357 4.697 4.340 -0.000 0.000 0.301 40 R C -0.761 175.134 176.300 -0.674 0.000 0.961 40 R CA -0.923 54.884 56.100 -0.489 0.000 0.871 40 R CB 1.993 32.126 30.300 -0.279 0.000 1.170 40 R HN 0.820 nan 8.270 nan 0.000 0.446 41 R N -0.080 120.275 120.500 -0.241 0.000 2.598 41 R HA 0.421 4.761 4.340 -0.000 0.000 0.279 41 R C -0.361 175.927 176.300 -0.020 0.000 0.984 41 R CA -0.650 55.421 56.100 -0.048 0.000 0.999 41 R CB 0.877 31.282 30.300 0.175 0.000 1.114 41 R HN 0.450 nan 8.270 nan 0.000 0.493 42 D N -0.958 119.471 120.400 0.048 0.000 2.503 42 D HA 0.187 4.827 4.640 -0.000 0.000 0.218 42 D C -0.773 175.511 176.300 -0.027 0.000 1.183 42 D CA -0.239 53.773 54.000 0.021 0.000 0.827 42 D CB 0.202 41.031 40.800 0.049 0.000 1.034 42 D HN 0.633 nan 8.370 nan 0.000 0.510 43 H N -1.190 117.910 119.070 0.051 0.000 3.079 43 H HA 0.528 5.084 4.556 -0.000 0.000 0.356 43 H C -0.811 174.553 175.328 0.060 0.000 1.221 43 H CA -0.748 55.337 56.048 0.060 0.000 1.185 43 H CB 1.878 31.685 29.762 0.074 0.000 1.882 43 H HN 0.001 nan 8.280 nan 0.000 0.543 44 T N -1.152 113.511 114.554 0.181 0.000 2.925 44 T HA 0.274 4.624 4.350 -0.000 0.000 0.285 44 T C 1.357 176.123 174.700 0.109 0.000 1.021 44 T CA -0.208 61.967 62.100 0.125 0.000 1.042 44 T CB 1.630 70.553 68.868 0.092 0.000 1.037 44 T HN 0.657 nan 8.240 nan 0.000 0.481 45 S N 1.475 117.212 115.700 0.062 0.000 2.372 45 S HA -0.295 4.175 4.470 -0.000 0.000 0.227 45 S C 1.668 176.248 174.600 -0.035 0.000 1.044 45 S CA 1.794 59.972 58.200 -0.035 0.000 1.050 45 S CB -1.002 62.206 63.200 0.013 0.000 0.901 45 S HN 0.925 nan 8.310 nan 0.000 0.447 46 D N 1.683 122.146 120.400 0.104 0.000 2.116 46 D HA -0.277 4.363 4.640 -0.000 0.000 0.193 46 D C 2.033 178.416 176.300 0.139 0.000 0.998 46 D CA 1.750 55.846 54.000 0.159 0.000 0.836 46 D CB -0.847 40.030 40.800 0.128 0.000 0.951 46 D HN 0.645 nan 8.370 nan 0.000 0.449 47 Q N 0.309 120.186 119.800 0.128 0.000 2.030 47 Q HA -0.090 4.250 4.340 -0.000 0.000 0.204 47 Q C 2.796 178.898 176.000 0.170 0.000 0.986 47 Q CA 1.206 57.100 55.803 0.152 0.000 0.843 47 Q CB -0.254 28.616 28.738 0.221 0.000 0.904 47 Q HN 0.314 nan 8.270 nan 0.000 0.420 48 L N -0.026 121.305 121.223 0.180 0.000 2.043 48 L HA -0.257 4.083 4.340 -0.000 0.000 0.212 48 L C 2.490 179.481 176.870 0.202 0.000 1.075 48 L CA 1.252 56.214 54.840 0.203 0.000 0.752 48 L CB -0.654 41.399 42.059 -0.009 0.000 0.891 48 L HN 0.321 nan 8.230 nan 0.000 0.432 49 H N -0.010 119.146 119.070 0.144 0.000 2.270 49 H HA -0.153 4.403 4.556 -0.000 0.000 0.299 49 H C 2.502 177.856 175.328 0.044 0.000 1.077 49 H CA 1.977 58.083 56.048 0.096 0.000 1.294 49 H CB -0.518 29.286 29.762 0.070 0.000 1.371 49 H HN 0.446 nan 8.280 nan 0.000 0.491 50 E N 1.315 121.604 120.200 0.148 0.000 2.130 50 E HA -0.223 4.127 4.350 -0.000 0.000 0.196 50 E C 2.033 178.593 176.600 -0.067 0.000 0.998 50 E CA 1.682 58.106 56.400 0.040 0.000 0.806 50 E CB -0.495 29.222 29.700 0.029 0.000 0.738 50 E HN 0.728 nan 8.360 nan 0.000 0.459 51 E N -2.434 117.649 120.200 -0.196 0.000 2.250 51 E HA 0.076 4.426 4.350 -0.000 0.000 0.192 51 E C 0.748 176.888 176.600 -0.766 0.000 0.986 51 E CA 0.646 56.706 56.400 -0.568 0.000 0.849 51 E CB 0.100 29.269 29.700 -0.885 0.000 0.797 51 E HN 0.592 nan 8.360 nan 0.000 0.482 52 F N -0.664 119.320 119.950 0.055 0.000 2.817 52 F HA 0.226 4.753 4.527 0.000 0.000 0.333 52 F C 1.109 176.942 175.800 0.055 0.000 1.085 52 F CA -0.419 57.607 58.000 0.043 0.000 1.170 52 F CB 0.487 39.498 39.000 0.018 0.000 1.066 52 F HN -0.128 nan 8.300 nan 0.000 0.564 53 D N 0.944 121.467 120.400 0.205 0.000 2.309 53 D HA -0.051 4.589 4.640 -0.000 0.000 0.212 53 D C 1.933 178.290 176.300 0.094 0.000 0.968 53 D CA 1.061 55.152 54.000 0.151 0.000 0.882 53 D CB 0.066 40.931 40.800 0.109 0.000 0.918 53 D HN 0.235 nan 8.370 nan 0.000 0.503 54 A N -0.365 122.503 122.820 0.081 0.000 2.465 54 A HA 0.141 4.461 4.320 -0.000 0.000 0.255 54 A C 0.471 178.097 177.584 0.070 0.000 1.274 54 A CA -0.191 51.880 52.037 0.057 0.000 0.920 54 A CB 0.230 19.249 19.000 0.032 0.000 1.033 54 A HN -0.060 nan 8.150 nan 0.000 0.516 55 K N 1.415 121.879 120.400 0.108 0.000 2.159 55 K HA 0.358 4.678 4.320 -0.000 0.000 0.266 55 K C -1.316 175.339 176.600 0.091 0.000 0.975 55 K CA -0.894 55.461 56.287 0.113 0.000 0.865 55 K CB 1.165 33.773 32.500 0.180 0.000 1.087 55 K HN 0.142 nan 8.250 nan 0.000 0.446 56 D N 1.701 122.143 120.400 0.070 0.000 2.399 56 D HA -0.071 4.569 4.640 -0.000 0.000 0.241 56 D C 1.132 177.469 176.300 0.062 0.000 1.133 56 D CA 0.088 54.122 54.000 0.057 0.000 0.890 56 D CB 0.624 41.451 40.800 0.045 0.000 1.201 56 D HN 0.460 nan 8.370 nan 0.000 0.432 57 N N 1.415 120.151 118.700 0.060 0.000 2.094 57 N HA -0.255 4.485 4.740 -0.000 0.000 0.191 57 N C 1.843 177.387 175.510 0.056 0.000 1.023 57 N CA 2.049 55.142 53.050 0.072 0.000 0.857 57 N CB -0.134 38.402 38.487 0.081 0.000 1.013 57 N HN 0.579 nan 8.380 nan 0.000 0.426 58 Q N -0.032 119.794 119.800 0.043 0.000 2.096 58 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 58 Q C 2.237 178.256 176.000 0.032 0.000 0.982 58 Q CA 2.550 58.371 55.803 0.030 0.000 0.850 58 Q CB -1.677 27.076 28.738 0.025 0.000 0.901 58 Q HN 0.791 nan 8.270 nan 0.000 0.422 59 E N 0.722 120.948 120.200 0.043 0.000 2.051 59 E HA -0.015 4.335 4.350 -0.000 0.000 0.192 59 E C 2.136 178.766 176.600 0.049 0.000 0.991 59 E CA 1.280 57.710 56.400 0.050 0.000 0.799 59 E CB -0.679 29.061 29.700 0.067 0.000 0.748 59 E HN 0.717 nan 8.360 nan 0.000 0.449 60 L N 0.171 121.425 121.223 0.051 0.000 2.191 60 L HA -0.042 4.298 4.340 -0.000 0.000 0.212 60 L C 3.141 180.013 176.870 0.004 0.000 1.103 60 L CA 1.693 56.545 54.840 0.021 0.000 0.769 60 L CB -0.495 41.578 42.059 0.023 0.000 0.908 60 L HN 0.566 nan 8.230 nan 0.000 0.438 61 E N 0.163 120.373 120.200 0.016 0.000 2.158 61 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 61 E C 2.216 178.807 176.600 -0.015 0.000 0.982 61 E CA 1.193 57.589 56.400 -0.005 0.000 0.823 61 E CB -0.600 29.097 29.700 -0.006 0.000 0.766 61 E HN 0.651 nan 8.360 nan 0.000 0.468 62 S N -0.379 115.321 115.700 -0.001 0.000 2.489 62 S HA 0.196 4.666 4.470 -0.000 0.000 0.228 62 S C 0.795 175.395 174.600 0.000 0.000 0.995 62 S CA 0.145 58.345 58.200 -0.000 0.000 0.934 62 S CB -0.357 62.849 63.200 0.010 0.000 0.771 62 S HN 0.377 nan 8.310 nan 0.000 0.522 63 L N 2.451 123.674 121.223 -0.001 0.000 2.295 63 L HA 0.459 4.799 4.340 -0.000 0.000 0.281 63 L C -0.221 176.630 176.870 -0.032 0.000 1.018 63 L CA -0.491 54.347 54.840 -0.002 0.000 0.841 63 L CB 0.724 42.795 42.059 0.020 0.000 1.218 63 L HN -0.029 nan 8.230 nan 0.000 0.424 64 N N 4.602 123.283 118.700 -0.031 0.000 2.971 64 N HA 0.196 4.936 4.740 -0.000 0.000 0.294 64 N C -0.153 175.327 175.510 -0.051 0.000 1.210 64 N CA 0.113 53.135 53.050 -0.046 0.000 1.157 64 N CB 0.294 38.756 38.487 -0.041 0.000 1.450 64 N HN 0.569 nan 8.380 nan 0.000 0.527 65 I N 1.089 121.603 120.570 -0.093 0.000 2.357 65 I HA 0.003 4.173 4.170 -0.000 0.000 0.300 65 I C 1.023 177.065 176.117 -0.124 0.000 1.159 65 I CA 0.042 61.266 61.300 -0.128 0.000 1.339 65 I CB -0.040 37.779 38.000 -0.301 0.000 1.458 65 I HN 0.113 nan 8.210 nan 0.000 0.577 66 E N 6.976 127.143 120.200 -0.055 0.000 2.152 66 E HA 0.387 4.737 4.350 -0.000 0.000 0.285 66 E C -0.659 175.933 176.600 -0.014 0.000 1.043 66 E CA -0.597 55.787 56.400 -0.026 0.000 0.839 66 E CB 1.007 30.708 29.700 0.002 0.000 1.069 66 E HN 0.482 nan 8.360 nan 0.000 0.399 67 V N 1.327 121.227 119.914 -0.024 0.000 3.103 67 V HA 0.774 4.894 4.120 -0.000 0.000 0.318 67 V C -0.461 175.681 176.094 0.081 0.000 1.114 67 V CA -0.796 61.509 62.300 0.008 0.000 1.020 67 V CB 1.789 33.529 31.823 -0.138 0.000 1.085 67 V HN 0.645 nan 8.190 nan 0.000 0.446 68 S N 1.009 116.790 115.700 0.136 0.000 2.557 68 S HA 0.892 5.362 4.470 -0.000 0.000 0.291 68 S C -0.598 174.141 174.600 0.232 0.000 1.116 68 S CA -0.170 58.148 58.200 0.196 0.000 0.992 68 S CB 1.081 64.358 63.200 0.128 0.000 1.028 68 S HN 2.110 nan 8.310 nan 0.000 0.484 69 V N -0.920 119.159 119.914 0.275 0.000 3.155 69 V HA 1.092 5.212 4.120 -0.000 0.000 0.313 69 V C -0.248 176.016 176.094 0.283 0.000 1.162 69 V CA -0.846 61.594 62.300 0.234 0.000 1.048 69 V CB 1.040 32.948 31.823 0.141 0.000 1.092 69 V HN 1.753 nan 8.190 nan 0.000 0.447 70 A N -0.615 122.323 122.820 0.196 0.000 2.594 70 A HA 1.028 5.348 4.320 -0.000 0.000 0.296 70 A C -0.196 177.433 177.584 0.074 0.000 1.061 70 A CA 0.120 52.226 52.037 0.115 0.000 0.689 70 A CB 1.259 20.395 19.000 0.228 0.000 1.280 70 A HN 2.619 nan 8.150 nan 0.000 0.406 71 G N 0.144 108.958 108.800 0.023 0.000 2.335 71 G HA2 0.510 4.470 3.960 -0.000 0.000 0.291 71 G HA3 0.510 4.470 3.960 -0.000 0.000 0.291 71 G C -1.278 173.629 174.900 0.012 0.000 1.261 71 G CA -0.461 44.659 45.100 0.034 0.000 0.871 71 G HN 0.943 nan 8.290 nan 0.000 0.491 72 R N -0.034 120.485 120.500 0.032 0.000 2.312 72 R HA 0.620 4.960 4.340 -0.000 0.000 0.311 72 R C 0.149 176.477 176.300 0.047 0.000 1.004 72 R CA -0.675 55.442 56.100 0.029 0.000 0.902 72 R CB 0.996 31.322 30.300 0.043 0.000 1.073 72 R HN 0.565 nan 8.270 nan 0.000 0.457 73 M N 6.539 126.166 119.600 0.046 0.000 2.341 73 M HA 0.082 4.562 4.480 -0.000 0.000 0.336 73 M C 0.018 176.366 176.300 0.080 0.000 1.489 73 M CA -0.072 55.278 55.300 0.082 0.000 1.278 73 M CB 0.728 33.394 32.600 0.110 0.000 1.657 73 M HN 0.748 nan 8.290 nan 0.000 0.455 74 M N 1.945 121.596 119.600 0.085 0.000 2.357 74 M HA 0.138 4.618 4.480 -0.000 0.000 0.266 74 M C 0.872 177.220 176.300 0.079 0.000 1.095 74 M CA 0.776 56.122 55.300 0.077 0.000 1.156 74 M CB -0.660 31.985 32.600 0.075 0.000 1.365 74 M HN 0.645 nan 8.290 nan 0.000 0.447 75 T N -0.850 113.761 114.554 0.094 0.000 2.883 75 T HA 0.737 5.087 4.350 -0.000 0.000 0.296 75 T C -0.731 174.044 174.700 0.124 0.000 1.117 75 T CA -0.939 61.218 62.100 0.095 0.000 1.006 75 T CB 3.287 72.208 68.868 0.088 0.000 1.191 75 T HN 0.299 nan 8.240 nan 0.000 0.508 76 R N -0.524 120.046 120.500 0.116 0.000 2.561 76 R HA 0.691 5.031 4.340 -0.000 0.000 0.266 76 R C -1.638 174.739 176.300 0.130 0.000 1.091 76 R CA -0.507 55.681 56.100 0.147 0.000 0.927 76 R CB 1.507 31.871 30.300 0.107 0.000 1.240 76 R HN 1.055 nan 8.270 nan 0.000 0.449 77 R N 4.749 125.363 120.500 0.189 0.000 2.467 77 R HA 0.424 4.764 4.340 -0.000 0.000 0.299 77 R C -0.699 175.725 176.300 0.206 0.000 1.120 77 R CA -0.451 55.755 56.100 0.176 0.000 0.940 77 R CB 0.309 30.727 30.300 0.196 0.000 1.161 77 R HN 0.577 nan 8.270 nan 0.000 0.506 78 I N 2.399 123.045 120.570 0.127 0.000 2.352 78 I HA 0.322 4.492 4.170 -0.000 0.000 0.290 78 I C 0.605 176.799 176.117 0.128 0.000 1.036 78 I CA -0.159 61.218 61.300 0.128 0.000 1.336 78 I CB 1.531 39.542 38.000 0.017 0.000 1.407 78 I HN 0.612 nan 8.210 nan 0.000 0.497 79 M N 5.603 125.299 119.600 0.161 0.000 3.074 79 M HA 0.291 4.771 4.480 -0.000 0.000 0.252 79 M C 0.393 176.762 176.300 0.114 0.000 1.181 79 M CA -0.365 55.015 55.300 0.133 0.000 0.771 79 M CB 1.006 33.704 32.600 0.164 0.000 1.375 79 M HN 0.820 nan 8.290 nan 0.000 0.512 80 G N 1.360 110.234 108.800 0.122 0.000 2.511 80 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.175 80 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.175 80 G C 0.694 175.640 174.900 0.076 0.000 0.233 80 G CA 0.794 45.964 45.100 0.116 0.000 1.033 80 G HN 0.970 nan 8.290 nan 0.000 0.464 81 K N -1.875 118.575 120.400 0.084 0.000 3.583 81 K HA 0.246 4.566 4.320 -0.000 0.000 0.287 81 K C 1.350 177.661 176.600 -0.482 0.000 1.269 81 K CA 2.653 58.775 56.287 -0.275 0.000 0.998 81 K CB -1.801 30.598 32.500 -0.167 0.000 1.284 81 K HN 2.969 nan 8.250 nan 0.000 0.472 82 A N -0.425 122.291 122.820 -0.172 0.000 2.540 82 A HA 0.794 5.114 4.320 -0.000 0.000 0.297 82 A C -0.288 177.261 177.584 -0.059 0.000 1.056 82 A CA 0.325 52.190 52.037 -0.287 0.000 0.700 82 A CB 1.586 20.429 19.000 -0.262 0.000 1.280 82 A HN 1.202 nan 8.150 nan 0.000 0.398 83 S N 0.256 115.840 115.700 -0.192 0.000 2.564 83 S HA 0.822 5.292 4.470 -0.000 0.000 0.274 83 S C -1.313 173.140 174.600 -0.245 0.000 1.124 83 S CA -0.409 57.799 58.200 0.014 0.000 0.869 83 S CB 1.105 64.514 63.200 0.349 0.000 1.105 83 S HN 0.507 nan 8.310 nan 0.000 0.472 84 F N 1.263 121.289 119.950 0.128 0.000 2.444 84 F HA 0.652 5.179 4.527 -0.000 0.000 0.342 84 F C -0.096 175.791 175.800 0.145 0.000 1.121 84 F CA -0.674 57.409 58.000 0.138 0.000 0.997 84 F CB 1.523 40.613 39.000 0.151 0.000 1.130 84 F HN 0.213 nan 8.300 nan 0.000 0.454 85 V N 1.793 121.874 119.914 0.278 0.000 2.769 85 V HA 0.542 4.662 4.120 -0.000 0.000 0.312 85 V C -0.346 175.866 176.094 0.197 0.000 1.061 85 V CA -0.732 61.710 62.300 0.237 0.000 0.931 85 V CB 2.345 34.310 31.823 0.237 0.000 1.010 85 V HN 0.716 nan 8.190 nan 0.000 0.433 86 T N 4.476 119.129 114.554 0.165 0.000 2.770 86 T HA 0.582 4.932 4.350 -0.000 0.000 0.283 86 T C -0.789 173.981 174.700 0.117 0.000 0.988 86 T CA -0.154 62.027 62.100 0.134 0.000 0.957 86 T CB 0.974 69.913 68.868 0.117 0.000 0.930 86 T HN 0.386 nan 8.240 nan 0.000 0.443 87 L N 3.938 125.224 121.223 0.106 0.000 2.309 87 L HA 0.584 4.924 4.340 -0.000 0.000 0.282 87 L C -0.253 176.668 176.870 0.086 0.000 1.036 87 L CA -0.305 54.588 54.840 0.089 0.000 0.806 87 L CB 1.662 43.769 42.059 0.079 0.000 1.220 87 L HN 0.608 nan 8.230 nan 0.000 0.429 88 Q N 2.836 122.682 119.800 0.078 0.000 2.325 88 Q HA 0.478 4.818 4.340 -0.000 0.000 0.270 88 Q C -1.615 174.430 176.000 0.074 0.000 1.020 88 Q CA -0.726 55.125 55.803 0.080 0.000 0.785 88 Q CB 1.622 30.407 28.738 0.078 0.000 1.259 88 Q HN 0.801 nan 8.270 nan 0.000 0.452 89 D N 1.314 121.762 120.400 0.079 0.000 2.712 89 D HA 0.200 4.840 4.640 -0.000 0.000 0.252 89 D C 1.154 177.501 176.300 0.079 0.000 1.123 89 D CA -0.199 53.847 54.000 0.077 0.000 1.109 89 D CB -0.017 40.831 40.800 0.081 0.000 1.313 89 D HN 0.283 nan 8.370 nan 0.000 0.629 90 V N -1.971 117.988 119.914 0.076 0.000 2.370 90 V HA -0.075 4.045 4.120 -0.000 0.000 0.252 90 V C 2.017 178.159 176.094 0.080 0.000 1.068 90 V CA 2.173 64.517 62.300 0.074 0.000 1.061 90 V CB -1.621 30.242 31.823 0.067 0.000 0.656 90 V HN 0.712 nan 8.190 nan 0.000 0.455 91 G N -0.745 108.106 108.800 0.087 0.000 2.603 91 G HA2 0.485 4.445 3.960 -0.000 0.000 0.214 91 G HA3 0.485 4.445 3.960 -0.000 0.000 0.214 91 G C 0.730 175.698 174.900 0.113 0.000 1.140 91 G CA 0.862 46.020 45.100 0.097 0.000 0.800 91 G HN 1.311 nan 8.290 nan 0.000 0.533 92 G N -0.576 108.292 108.800 0.112 0.000 2.292 92 G HA2 0.174 4.134 3.960 -0.000 0.000 0.194 92 G HA3 0.174 4.134 3.960 -0.000 0.000 0.194 92 G C -1.173 173.804 174.900 0.129 0.000 1.329 92 G CA -0.962 44.211 45.100 0.122 0.000 1.100 92 G HN 0.406 nan 8.290 nan 0.000 0.470 93 R N -0.659 119.938 120.500 0.163 0.000 2.711 93 R HA 0.777 5.117 4.340 -0.000 0.000 0.284 93 R C -1.167 175.262 176.300 0.216 0.000 0.968 93 R CA -0.691 55.503 56.100 0.156 0.000 0.924 93 R CB 2.391 32.769 30.300 0.130 0.000 1.162 93 R HN 0.600 nan 8.270 nan 0.000 0.465 94 I N 0.402 121.049 120.570 0.128 0.000 2.865 94 I HA 0.200 4.370 4.170 -0.000 0.000 0.302 94 I C -1.178 174.996 176.117 0.095 0.000 1.140 94 I CA -0.677 60.668 61.300 0.075 0.000 1.021 94 I CB 2.402 40.376 38.000 -0.044 0.000 1.233 94 I HN 0.564 nan 8.210 nan 0.000 0.427 95 Q N 5.806 125.660 119.800 0.090 0.000 2.271 95 Q HA 0.651 4.991 4.340 -0.000 0.000 0.258 95 Q C -1.872 174.197 176.000 0.114 0.000 0.936 95 Q CA -0.693 55.181 55.803 0.120 0.000 0.909 95 Q CB 1.321 30.140 28.738 0.135 0.000 1.253 95 Q HN 0.700 nan 8.270 nan 0.000 0.440 96 L N 3.485 124.795 121.223 0.145 0.000 2.325 96 L HA 0.411 4.751 4.340 -0.000 0.000 0.278 96 L C -0.941 176.015 176.870 0.143 0.000 1.023 96 L CA -1.120 53.795 54.840 0.126 0.000 0.811 96 L CB 1.035 43.136 42.059 0.070 0.000 1.249 96 L HN 0.677 nan 8.230 nan 0.000 0.431 97 Y N 2.948 123.245 120.300 -0.006 0.000 2.491 97 Y HA 0.466 5.016 4.550 0.000 0.000 0.334 97 Y C -0.703 175.011 175.900 -0.311 0.000 0.969 97 Y CA -0.758 57.229 58.100 -0.188 0.000 1.241 97 Y CB 1.089 39.556 38.460 0.011 0.000 1.105 97 Y HN 0.221 nan 8.280 nan 0.000 0.503 98 V N 6.334 125.800 119.914 -0.747 0.000 2.333 98 V HA 0.757 4.877 4.120 -0.000 0.000 0.274 98 V C -0.089 175.530 176.094 -0.792 0.000 1.028 98 V CA -0.415 61.468 62.300 -0.695 0.000 0.851 98 V CB 0.555 31.889 31.823 -0.815 0.000 1.000 98 V HN 0.889 nan 8.190 nan 0.000 0.456 99 A N 4.150 126.491 122.820 -0.798 0.000 2.356 99 A HA 0.773 5.093 4.320 -0.000 0.000 0.310 99 A C 1.078 178.223 177.584 -0.732 0.000 1.075 99 A CA -0.049 51.491 52.037 -0.828 0.000 0.746 99 A CB 1.473 20.051 19.000 -0.704 0.000 1.221 99 A HN 0.975 nan 8.150 nan 0.000 0.443 100 R N 1.131 120.949 120.500 -1.136 0.000 2.113 100 R HA -0.180 4.160 4.340 -0.000 0.000 0.244 100 R C 0.951 177.058 176.300 -0.321 0.000 1.142 100 R CA 2.494 58.128 56.100 -0.777 0.000 0.953 100 R CB -1.249 28.625 30.300 -0.710 0.000 0.860 100 R HN 0.816 nan 8.270 nan 0.000 0.438 101 D N -0.330 119.909 120.400 -0.268 0.000 2.363 101 D HA 0.033 4.673 4.640 -0.000 0.000 0.226 101 D C 1.147 177.400 176.300 -0.078 0.000 1.020 101 D CA 1.195 55.114 54.000 -0.134 0.000 0.892 101 D CB 0.430 41.169 40.800 -0.102 0.000 0.900 101 D HN 0.482 nan 8.370 nan 0.000 0.531 102 S N -0.409 115.237 115.700 -0.091 0.000 2.499 102 S HA 0.155 4.625 4.470 -0.000 0.000 0.225 102 S C 1.106 175.696 174.600 -0.017 0.000 1.050 102 S CA -0.203 57.997 58.200 -0.001 0.000 0.928 102 S CB 0.983 64.229 63.200 0.076 0.000 0.803 102 S HN 0.126 nan 8.310 nan 0.000 0.506 103 L N 2.072 123.259 121.223 -0.060 0.000 2.456 103 L HA 0.368 4.708 4.340 -0.000 0.000 0.257 103 L C -2.282 174.581 176.870 -0.011 0.000 1.162 103 L CA -2.241 52.583 54.840 -0.028 0.000 0.808 103 L CB -0.221 41.816 42.059 -0.036 0.000 1.136 103 L HN -0.043 nan 8.230 nan 0.000 0.466 104 P HA 0.075 nan 4.420 nan 0.000 0.272 104 P C -0.496 176.810 177.300 0.009 0.000 1.248 104 P CA -0.223 62.884 63.100 0.013 0.000 0.799 104 P CB 0.272 31.988 31.700 0.026 0.000 0.997 105 E N 0.264 120.469 120.200 0.008 0.000 2.417 105 E HA 0.351 4.701 4.350 -0.000 0.000 0.261 105 E C 1.370 177.978 176.600 0.013 0.000 1.000 105 E CA 0.240 56.645 56.400 0.007 0.000 0.919 105 E CB -1.277 28.426 29.700 0.005 0.000 0.955 105 E HN 0.859 nan 8.360 nan 0.000 0.455 106 G N 1.123 109.933 108.800 0.016 0.000 2.267 106 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.257 106 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.257 106 G C 1.647 176.553 174.900 0.009 0.000 0.998 106 G CA 0.882 45.990 45.100 0.013 0.000 0.620 106 G HN 1.241 nan 8.290 nan 0.000 0.529 107 V N 0.108 120.033 119.914 0.017 0.000 2.255 107 V HA -0.224 3.896 4.120 -0.000 0.000 0.247 107 V C 2.123 178.191 176.094 -0.042 0.000 1.051 107 V CA 2.735 65.033 62.300 -0.003 0.000 1.018 107 V CB -0.848 30.988 31.823 0.021 0.000 0.641 107 V HN 0.555 nan 8.190 nan 0.000 0.445 108 Y N 1.330 121.561 120.300 -0.115 0.000 2.128 108 Y HA -0.250 4.300 4.550 -0.000 0.000 0.284 108 Y C 2.596 178.455 175.900 -0.068 0.000 1.154 108 Y CA 2.282 60.327 58.100 -0.093 0.000 1.149 108 Y CB -0.217 38.180 38.460 -0.106 0.000 0.976 108 Y HN 0.275 nan 8.280 nan 0.000 0.505 109 N N -0.075 118.640 118.700 0.026 0.000 2.197 109 N HA -0.126 4.614 4.740 -0.000 0.000 0.184 109 N C 1.291 176.713 175.510 -0.148 0.000 1.030 109 N CA 1.546 54.553 53.050 -0.070 0.000 0.851 109 N CB -0.428 38.072 38.487 0.022 0.000 1.003 109 N HN 0.390 nan 8.380 nan 0.000 0.430 110 D N 0.591 120.930 120.400 -0.102 0.000 2.269 110 D HA -0.031 4.609 4.640 -0.000 0.000 0.208 110 D C 1.578 177.790 176.300 -0.148 0.000 0.963 110 D CA 0.924 54.865 54.000 -0.099 0.000 0.864 110 D CB 0.289 41.062 40.800 -0.046 0.000 0.936 110 D HN 0.398 nan 8.370 nan 0.000 0.505 111 Q N -1.281 118.377 119.800 -0.236 0.000 2.652 111 Q HA 0.110 4.450 4.340 -0.000 0.000 0.211 111 Q C 1.690 177.036 176.000 -1.091 0.000 0.858 111 Q CA -0.371 55.214 55.803 -0.365 0.000 0.895 111 Q CB -0.072 28.607 28.738 -0.099 0.000 1.194 111 Q HN 0.070 nan 8.270 nan 0.000 0.645 112 F N 2.652 121.769 119.950 -1.388 0.000 2.043 112 F HA -0.231 4.296 4.527 0.000 0.000 0.297 112 F C 1.671 176.820 175.800 -1.085 0.000 1.121 112 F CA 1.817 58.770 58.000 -1.745 0.000 1.199 112 F CB -0.044 38.301 39.000 -1.091 0.000 0.968 112 F HN -0.140 nan 8.300 nan 0.000 0.478 113 K N 0.080 119.863 120.400 -1.029 0.000 2.442 113 K HA -0.124 4.196 4.320 -0.000 0.000 0.198 113 K C 1.986 178.240 176.600 -0.576 0.000 1.044 113 K CA 1.272 57.040 56.287 -0.865 0.000 0.948 113 K CB -0.352 31.802 32.500 -0.575 0.000 0.762 113 K HN 0.416 nan 8.250 nan 0.000 0.472 114 K N 0.208 120.296 120.400 -0.520 0.000 2.393 114 K HA 0.000 4.320 4.320 -0.000 0.000 0.193 114 K C -0.044 176.507 176.600 -0.083 0.000 1.026 114 K CA 0.197 56.331 56.287 -0.256 0.000 1.064 114 K CB -0.214 32.188 32.500 -0.163 0.000 0.833 114 K HN 0.086 nan 8.250 nan 0.000 0.521 115 W N 1.594 122.751 121.300 -0.239 0.000 2.161 115 W HA 0.401 5.061 4.660 -0.000 0.000 0.344 115 W C -0.129 176.283 176.519 -0.178 0.000 1.262 115 W CA -1.237 56.000 57.345 -0.180 0.000 1.270 115 W CB 0.323 29.695 29.460 -0.147 0.000 1.126 115 W HN 0.166 nan 8.180 nan 0.000 0.598 116 D N 0.667 121.139 120.400 0.119 0.000 2.340 116 D HA 0.256 4.896 4.640 -0.000 0.000 0.243 116 D C -0.446 175.881 176.300 0.044 0.000 0.988 116 D CA -0.781 53.241 54.000 0.037 0.000 0.959 116 D CB 2.186 42.993 40.800 0.012 0.000 1.226 116 D HN -0.170 nan 8.370 nan 0.000 0.509 117 L N 0.587 121.829 121.223 0.032 0.000 2.453 117 L HA 0.258 4.598 4.340 -0.000 0.000 0.272 117 L C 1.639 178.532 176.870 0.038 0.000 1.182 117 L CA 1.185 56.051 54.840 0.044 0.000 0.858 117 L CB 0.087 42.171 42.059 0.043 0.000 1.120 117 L HN 0.883 nan 8.230 nan 0.000 0.474 118 G N 1.763 110.587 108.800 0.040 0.000 2.284 118 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.216 118 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.216 118 G C 0.244 175.150 174.900 0.009 0.000 1.009 118 G CA -0.110 45.011 45.100 0.036 0.000 0.625 118 G HN 0.551 nan 8.290 nan 0.000 0.501 119 D N 1.469 121.859 120.400 -0.017 0.000 2.443 119 D HA 0.368 5.008 4.640 -0.000 0.000 0.239 119 D C 0.970 177.211 176.300 -0.097 0.000 1.136 119 D CA 0.157 54.105 54.000 -0.086 0.000 0.879 119 D CB 0.609 41.319 40.800 -0.151 0.000 1.195 119 D HN 0.214 nan 8.370 nan 0.000 0.443 120 I N 3.808 124.300 120.570 -0.130 0.000 2.325 120 I HA 0.284 4.454 4.170 -0.000 0.000 0.291 120 I C 0.615 176.594 176.117 -0.230 0.000 1.019 120 I CA -0.403 60.825 61.300 -0.119 0.000 1.302 120 I CB 0.089 38.046 38.000 -0.072 0.000 1.401 120 I HN 0.273 nan 8.210 nan 0.000 0.485 121 I N 2.376 122.814 120.570 -0.220 0.000 3.002 121 I HA 0.960 5.130 4.170 -0.000 0.000 0.310 121 I C -0.085 175.824 176.117 -0.347 0.000 1.087 121 I CA -0.799 60.298 61.300 -0.338 0.000 1.017 121 I CB 2.469 40.299 38.000 -0.284 0.000 1.226 121 I HN 0.481 nan 8.210 nan 0.000 0.443 122 G N 1.958 110.402 108.800 -0.593 0.000 2.495 122 G HA2 0.814 4.774 3.960 -0.000 0.000 0.318 122 G HA3 0.814 4.774 3.960 -0.000 0.000 0.318 122 G C -1.414 173.099 174.900 -0.644 0.000 1.257 122 G CA -0.692 43.777 45.100 -1.050 0.000 0.962 122 G HN 1.065 nan 8.290 nan 0.000 0.483 123 A N 1.749 124.449 122.820 -0.200 0.000 2.539 123 A HA 0.929 5.249 4.320 -0.000 0.000 0.296 123 A C -0.590 177.141 177.584 0.245 0.000 1.073 123 A CA -0.848 51.220 52.037 0.051 0.000 0.700 123 A CB 2.072 21.098 19.000 0.044 0.000 1.296 123 A HN 0.881 nan 8.150 nan 0.000 0.405 124 R N 0.651 121.270 120.500 0.198 0.000 2.574 124 R HA 0.659 4.999 4.340 -0.000 0.000 0.288 124 R C -0.294 176.082 176.300 0.125 0.000 1.004 124 R CA 0.301 56.511 56.100 0.182 0.000 0.895 124 R CB 2.035 32.455 30.300 0.200 0.000 1.191 124 R HN 1.749 nan 8.270 nan 0.000 0.444 125 G N 0.797 109.660 108.800 0.105 0.000 2.349 125 G HA2 0.226 4.186 3.960 -0.000 0.000 0.294 125 G HA3 0.226 4.186 3.960 -0.000 0.000 0.294 125 G C -1.203 173.743 174.900 0.076 0.000 1.380 125 G CA -0.521 44.644 45.100 0.108 0.000 0.811 125 G HN 0.585 nan 8.290 nan 0.000 0.519 126 T N -0.718 113.887 114.554 0.084 0.000 2.909 126 T HA 0.680 5.030 4.350 -0.000 0.000 0.286 126 T C 0.552 175.313 174.700 0.101 0.000 1.002 126 T CA -0.595 61.524 62.100 0.033 0.000 1.074 126 T CB 1.258 70.113 68.868 -0.022 0.000 0.984 126 T HN 0.499 nan 8.240 nan 0.000 0.495 127 L N 2.868 124.085 121.223 -0.011 0.000 2.436 127 L HA 0.666 5.006 4.340 -0.000 0.000 0.265 127 L C -0.087 176.882 176.870 0.166 0.000 1.168 127 L CA -0.571 54.260 54.840 -0.015 0.000 0.815 127 L CB 0.450 42.329 42.059 -0.299 0.000 1.109 127 L HN 0.910 nan 8.230 nan 0.000 0.462 128 F N -0.304 119.610 119.950 -0.060 0.000 2.926 128 F HA 0.570 5.097 4.527 -0.000 0.000 0.321 128 F C -1.686 174.116 175.800 0.004 0.000 1.168 128 F CA -1.399 56.581 58.000 -0.033 0.000 0.890 128 F CB 1.376 40.360 39.000 -0.026 0.000 1.357 128 F HN 0.153 nan 8.300 nan 0.000 0.468 129 K N 1.307 121.697 120.400 -0.016 0.000 2.324 129 K HA 0.560 4.880 4.320 -0.000 0.000 0.253 129 K C -0.885 175.714 176.600 -0.001 0.000 0.932 129 K CA -0.760 55.446 56.287 -0.134 0.000 0.799 129 K CB 2.388 34.884 32.500 -0.006 0.000 1.154 129 K HN 0.901 nan 8.250 nan 0.000 0.425 130 T N -1.464 113.039 114.554 -0.084 0.000 2.874 130 T HA 0.168 4.518 4.350 -0.000 0.000 0.281 130 T C 0.581 175.312 174.700 0.052 0.000 0.994 130 T CA -0.794 61.349 62.100 0.072 0.000 1.015 130 T CB 1.040 69.940 68.868 0.054 0.000 1.028 130 T HN 0.592 nan 8.240 nan 0.000 0.523 131 Q N 0.616 120.455 119.800 0.065 0.000 2.580 131 Q HA 0.447 4.787 4.340 -0.000 0.000 0.232 131 Q C 1.072 177.078 176.000 0.010 0.000 1.326 131 Q CA 0.276 56.101 55.803 0.037 0.000 0.887 131 Q CB -1.569 27.192 28.738 0.039 0.000 1.617 131 Q HN 1.207 nan 8.270 nan 0.000 0.554 132 T N -4.936 109.620 114.554 0.003 0.000 3.618 132 T HA 0.290 4.640 4.350 -0.000 0.000 0.276 132 T C 1.330 176.025 174.700 -0.008 0.000 0.903 132 T CA 0.487 62.580 62.100 -0.011 0.000 0.737 132 T CB -0.703 68.147 68.868 -0.029 0.000 1.199 132 T HN 2.135 nan 8.240 nan 0.000 0.875 133 G N 1.605 110.403 108.800 -0.004 0.000 2.141 133 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.195 133 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.195 133 G C -0.528 174.367 174.900 -0.009 0.000 1.012 133 G CA -0.084 45.015 45.100 -0.001 0.000 0.696 133 G HN 0.671 nan 8.290 nan 0.000 0.508 134 E N -0.114 120.070 120.200 -0.027 0.000 2.146 134 E HA 0.401 4.751 4.350 -0.000 0.000 0.282 134 E C 0.003 176.561 176.600 -0.070 0.000 0.989 134 E CA -0.933 55.451 56.400 -0.027 0.000 0.799 134 E CB 2.069 31.752 29.700 -0.028 0.000 1.088 134 E HN 0.230 nan 8.360 nan 0.000 0.397 135 L N 2.939 124.166 121.223 0.006 0.000 2.418 135 L HA 0.089 4.429 4.340 -0.000 0.000 0.274 135 L C -0.408 176.387 176.870 -0.124 0.000 1.135 135 L CA 0.759 55.580 54.840 -0.032 0.000 0.870 135 L CB 0.470 42.608 42.059 0.131 0.000 1.154 135 L HN 0.315 nan 8.230 nan 0.000 0.462 136 S N 4.667 120.153 115.700 -0.357 0.000 2.704 136 S HA 0.691 5.161 4.470 -0.000 0.000 0.296 136 S C -0.787 173.687 174.600 -0.211 0.000 1.138 136 S CA -0.603 57.381 58.200 -0.360 0.000 0.875 136 S CB 1.637 64.447 63.200 -0.650 0.000 1.151 136 S HN 0.475 nan 8.310 nan 0.000 0.500 137 I N 1.644 122.245 120.570 0.052 0.000 2.410 137 I HA 0.243 4.413 4.170 -0.000 0.000 0.286 137 I C -0.558 175.814 176.117 0.424 0.000 1.009 137 I CA -0.428 60.998 61.300 0.211 0.000 1.111 137 I CB 1.387 39.452 38.000 0.108 0.000 1.262 137 I HN 0.720 nan 8.210 nan 0.000 0.443 138 H N 6.061 125.396 119.070 0.441 0.000 3.224 138 H HA 0.223 4.779 4.556 -0.000 0.000 0.265 138 H C -0.195 175.219 175.328 0.144 0.000 1.461 138 H CA -0.440 55.794 56.048 0.311 0.000 1.509 138 H CB 0.162 29.928 29.762 0.007 0.000 1.686 138 H HN 0.675 nan 8.280 nan 0.000 0.514 139 C N 3.372 122.756 119.300 0.139 0.000 2.597 139 C HA -0.007 4.453 4.460 -0.000 0.000 0.412 139 C C 1.913 176.966 174.990 0.105 0.000 1.348 139 C CA 0.686 59.752 59.018 0.081 0.000 1.769 139 C CB 0.008 27.730 27.740 -0.030 0.000 2.641 139 C HN 1.004 nan 8.230 nan 0.000 0.612 140 T N -1.795 112.818 114.554 0.100 0.000 2.958 140 T HA 0.209 4.559 4.350 -0.000 0.000 0.256 140 T C -0.013 174.724 174.700 0.062 0.000 0.983 140 T CA 0.023 62.172 62.100 0.082 0.000 0.924 140 T CB 0.269 69.184 68.868 0.078 0.000 1.136 140 T HN 0.798 nan 8.240 nan 0.000 0.506 141 E N 0.024 120.271 120.200 0.078 0.000 2.331 141 E HA 0.633 4.983 4.350 -0.000 0.000 0.275 141 E C -2.322 174.332 176.600 0.090 0.000 0.895 141 E CA -0.995 55.461 56.400 0.093 0.000 0.753 141 E CB 2.367 32.148 29.700 0.134 0.000 1.216 141 E HN 0.179 nan 8.360 nan 0.000 0.434 142 L N 4.296 125.576 121.223 0.095 0.000 2.526 142 L HA 0.563 4.903 4.340 -0.000 0.000 0.263 142 L C -1.760 175.239 176.870 0.215 0.000 0.943 142 L CA -0.172 54.739 54.840 0.119 0.000 0.859 142 L CB 1.508 43.631 42.059 0.108 0.000 1.313 142 L HN 0.671 nan 8.230 nan 0.000 0.406 143 R N 3.614 124.148 120.500 0.057 0.000 2.643 143 R HA 0.632 4.972 4.340 -0.000 0.000 0.269 143 R C -1.803 174.238 176.300 -0.431 0.000 1.037 143 R CA -1.081 55.005 56.100 -0.022 0.000 0.894 143 R CB 1.682 31.970 30.300 -0.019 0.000 1.238 143 R HN 0.497 nan 8.270 nan 0.000 0.459 144 L N 3.157 124.025 121.223 -0.590 0.000 2.278 144 L HA 0.263 4.603 4.340 -0.000 0.000 0.287 144 L C 0.131 176.735 176.870 -0.442 0.000 1.072 144 L CA -0.091 54.254 54.840 -0.824 0.000 0.819 144 L CB 0.776 42.215 42.059 -1.033 0.000 1.176 144 L HN 0.833 nan 8.230 nan 0.000 0.435 145 L N 2.925 123.922 121.223 -0.377 0.000 2.286 145 L HA 0.248 4.588 4.340 -0.000 0.000 0.203 145 L C 0.189 176.962 176.870 -0.162 0.000 1.068 145 L CA 0.335 55.050 54.840 -0.209 0.000 0.811 145 L CB -0.152 41.817 42.059 -0.149 0.000 0.989 145 L HN 0.597 nan 8.230 nan 0.000 0.467 146 T N 0.464 114.909 114.554 -0.181 0.000 2.991 146 T HA 0.255 4.605 4.350 -0.000 0.000 0.303 146 T C -0.559 174.046 174.700 -0.158 0.000 1.015 146 T CA -0.695 61.345 62.100 -0.100 0.000 1.007 146 T CB 2.587 71.482 68.868 0.044 0.000 1.034 146 T HN -0.177 nan 8.240 nan 0.000 0.446 147 K N 2.530 122.813 120.400 -0.195 0.000 2.339 147 K HA 0.565 4.885 4.320 -0.000 0.000 0.286 147 K C -0.101 176.478 176.600 -0.036 0.000 1.050 147 K CA -0.433 55.761 56.287 -0.156 0.000 0.956 147 K CB 0.879 33.262 32.500 -0.196 0.000 0.990 147 K HN 0.824 nan 8.250 nan 0.000 0.475 148 A N 5.917 128.717 122.820 -0.033 0.000 2.309 148 A HA 0.264 4.584 4.320 -0.000 0.000 0.290 148 A C 1.100 178.685 177.584 0.002 0.000 1.206 148 A CA -0.333 51.708 52.037 0.007 0.000 0.850 148 A CB 0.121 19.128 19.000 0.012 0.000 1.118 148 A HN 0.865 nan 8.150 nan 0.000 0.523 149 L N 1.691 122.924 121.223 0.016 0.000 2.509 149 L HA 0.122 4.462 4.340 -0.000 0.000 0.222 149 L C 0.996 177.845 176.870 -0.036 0.000 1.123 149 L CA 0.666 55.502 54.840 -0.007 0.000 0.856 149 L CB -0.199 41.867 42.059 0.011 0.000 0.985 149 L HN 0.647 nan 8.230 nan 0.000 0.456 150 R N -0.255 120.246 120.500 0.001 0.000 2.750 150 R HA 0.435 4.775 4.340 -0.000 0.000 0.281 150 R C -2.501 173.834 176.300 0.059 0.000 0.972 150 R CA -1.905 54.200 56.100 0.008 0.000 0.912 150 R CB 1.317 31.680 30.300 0.105 0.000 1.187 150 R HN -0.233 nan 8.270 nan 0.000 0.464 151 P HA 0.052 nan 4.420 nan 0.000 0.272 151 P C -0.286 177.100 177.300 0.144 0.000 1.223 151 P CA -0.295 62.876 63.100 0.119 0.000 0.784 151 P CB 0.534 32.340 31.700 0.176 0.000 0.923 152 L N 3.916 125.201 121.223 0.103 0.000 2.543 152 L HA 0.065 4.405 4.340 -0.000 0.000 0.285 152 L C -0.974 175.952 176.870 0.092 0.000 1.236 152 L CA -1.183 53.712 54.840 0.092 0.000 0.871 152 L CB -0.575 41.526 42.059 0.072 0.000 1.121 152 L HN 0.420 nan 8.230 nan 0.000 0.501 162 Q N -0.353 119.355 119.800 -0.154 0.000 2.369 162 Q HA 0.303 4.643 4.340 -0.000 0.000 0.206 162 Q C 2.219 177.962 176.000 -0.429 0.000 0.963 162 Q CA 2.855 58.500 55.803 -0.264 0.000 0.894 162 Q CB -1.297 27.328 28.738 -0.189 0.000 0.965 162 Q HN 1.222 nan 8.270 nan 0.000 0.475 163 E N -0.027 120.034 120.200 -0.231 0.000 2.107 163 E HA 0.014 4.364 4.350 -0.000 0.000 0.191 163 E C 2.326 178.835 176.600 -0.151 0.000 0.982 163 E CA 1.102 57.412 56.400 -0.149 0.000 0.809 163 E CB -0.854 28.834 29.700 -0.021 0.000 0.756 163 E HN 0.561 nan 8.360 nan 0.000 0.459 164 V N 1.224 121.048 119.914 -0.150 0.000 2.324 164 V HA -0.347 3.773 4.120 -0.000 0.000 0.250 164 V C 2.646 178.646 176.094 -0.157 0.000 1.060 164 V CA 2.306 64.531 62.300 -0.125 0.000 1.042 164 V CB -0.660 31.090 31.823 -0.122 0.000 0.650 164 V HN 0.484 nan 8.190 nan 0.000 0.450 165 R N -1.131 119.224 120.500 -0.242 0.000 2.117 165 R HA -0.207 4.133 4.340 -0.000 0.000 0.243 165 R C 2.239 178.512 176.300 -0.047 0.000 1.143 165 R CA 2.096 58.068 56.100 -0.213 0.000 0.968 165 R CB -0.368 29.730 30.300 -0.337 0.000 0.863 165 R HN 0.564 nan 8.270 nan 0.000 0.444 166 Y N -0.408 119.881 120.300 -0.018 0.000 2.397 166 Y HA 0.101 4.651 4.550 -0.000 0.000 0.292 166 Y C 1.948 177.866 175.900 0.030 0.000 1.115 166 Y CA 0.387 58.489 58.100 0.004 0.000 1.208 166 Y CB -0.164 38.317 38.460 0.036 0.000 1.046 166 Y HN -0.060 nan 8.280 nan 0.000 0.552 167 R N 0.226 120.819 120.500 0.154 0.000 2.240 167 R HA 0.064 4.404 4.340 -0.000 0.000 0.203 167 R C 0.050 176.410 176.300 0.099 0.000 1.011 167 R CA 0.634 56.814 56.100 0.134 0.000 1.007 167 R CB -0.006 30.346 30.300 0.086 0.000 0.911 167 R HN 0.334 nan 8.270 nan 0.000 0.468 168 Q N 0.061 119.843 119.800 -0.031 0.000 3.316 168 Q HA 0.253 4.593 4.340 -0.000 0.000 0.295 168 Q C 0.238 175.984 176.000 -0.423 0.000 0.805 168 Q CA -0.310 55.316 55.803 -0.295 0.000 0.914 168 Q CB 1.241 29.701 28.738 -0.463 0.000 1.514 168 Q HN -0.016 nan 8.270 nan 0.000 0.387 169 R N 0.237 120.643 120.500 -0.156 0.000 2.119 169 R HA -0.206 4.134 4.340 -0.000 0.000 0.246 169 R C 1.583 177.792 176.300 -0.152 0.000 1.146 169 R CA 2.115 58.097 56.100 -0.197 0.000 0.962 169 R CB -0.306 29.716 30.300 -0.464 0.000 0.863 169 R HN 0.588 nan 8.270 nan 0.000 0.442 170 Y N -0.581 119.738 120.300 0.031 0.000 2.241 170 Y HA -0.171 4.379 4.550 -0.000 0.000 0.286 170 Y C 2.146 178.068 175.900 0.038 0.000 1.166 170 Y CA 0.861 58.987 58.100 0.043 0.000 1.203 170 Y CB -1.080 37.430 38.460 0.082 0.000 0.977 170 Y HN -0.071 nan 8.280 nan 0.000 0.529 171 L N 0.113 121.146 121.223 -0.318 0.000 2.044 171 L HA -0.144 4.196 4.340 -0.000 0.000 0.205 171 L C 2.378 179.208 176.870 -0.067 0.000 1.075 171 L CA 1.727 56.480 54.840 -0.145 0.000 0.747 171 L CB -0.671 41.243 42.059 -0.240 0.000 0.903 171 L HN 0.220 nan 8.230 nan 0.000 0.435 172 D N 0.678 121.019 120.400 -0.098 0.000 2.116 172 D HA -0.205 4.435 4.640 -0.000 0.000 0.193 172 D C 2.259 178.572 176.300 0.020 0.000 0.998 172 D CA 1.505 55.485 54.000 -0.033 0.000 0.836 172 D CB -0.079 40.708 40.800 -0.022 0.000 0.951 172 D HN 0.194 nan 8.370 nan 0.000 0.449 173 L N -0.062 121.177 121.223 0.028 0.000 2.141 173 L HA -0.099 4.241 4.340 -0.000 0.000 0.209 173 L C 2.587 179.500 176.870 0.071 0.000 1.094 173 L CA 0.498 55.377 54.840 0.064 0.000 0.763 173 L CB -0.303 41.787 42.059 0.052 0.000 0.908 173 L HN 0.150 nan 8.230 nan 0.000 0.437 174 I N -0.233 120.378 120.570 0.069 0.000 2.202 174 I HA -0.232 3.938 4.170 -0.000 0.000 0.242 174 I C 2.772 178.924 176.117 0.059 0.000 1.091 174 I CA 1.203 62.547 61.300 0.073 0.000 1.368 174 I CB -0.394 37.657 38.000 0.085 0.000 1.058 174 I HN 0.177 nan 8.210 nan 0.000 0.410 175 A N 0.468 123.315 122.820 0.044 0.000 1.843 175 A HA -0.053 4.267 4.320 -0.000 0.000 0.213 175 A C 0.979 178.585 177.584 0.038 0.000 1.202 175 A CA 0.987 53.045 52.037 0.036 0.000 0.607 175 A CB -0.710 18.301 19.000 0.018 0.000 0.847 175 A HN 0.360 nan 8.150 nan 0.000 0.445 176 N N 1.326 120.050 118.700 0.039 0.000 2.402 176 N HA 0.262 5.002 4.740 -0.000 0.000 0.252 176 N C -0.317 175.227 175.510 0.057 0.000 1.118 176 N CA -0.046 53.030 53.050 0.043 0.000 0.945 176 N CB 0.991 39.506 38.487 0.046 0.000 1.147 176 N HN 0.218 nan 8.380 nan 0.000 0.495 177 D N 1.908 122.337 120.400 0.049 0.000 2.144 177 D HA -0.162 4.478 4.640 -0.000 0.000 0.199 177 D C 1.979 178.311 176.300 0.053 0.000 0.984 177 D CA 1.405 55.437 54.000 0.053 0.000 0.834 177 D CB -0.055 40.771 40.800 0.044 0.000 0.955 177 D HN 0.617 nan 8.370 nan 0.000 0.465 178 K N 0.671 121.097 120.400 0.043 0.000 2.148 178 K HA -0.042 4.278 4.320 -0.000 0.000 0.204 178 K C 2.251 178.871 176.600 0.034 0.000 1.050 178 K CA 1.465 57.771 56.287 0.033 0.000 0.942 178 K CB -1.003 31.511 32.500 0.024 0.000 0.724 178 K HN 0.129 nan 8.250 nan 0.000 0.446 179 S N -0.347 115.393 115.700 0.068 0.000 2.368 179 S HA -0.119 4.351 4.470 -0.000 0.000 0.224 179 S C 2.284 177.005 174.600 0.201 0.000 1.029 179 S CA 1.190 59.462 58.200 0.121 0.000 0.988 179 S CB -0.187 63.117 63.200 0.172 0.000 0.838 179 S HN 0.633 nan 8.310 nan 0.000 0.462 180 R N 0.559 121.164 120.500 0.174 0.000 2.070 180 R HA -0.072 4.268 4.340 -0.000 0.000 0.233 180 R C 2.726 179.111 176.300 0.142 0.000 1.137 180 R CA 1.624 57.837 56.100 0.189 0.000 0.945 180 R CB -0.457 29.919 30.300 0.126 0.000 0.845 180 R HN 0.487 nan 8.270 nan 0.000 0.430 181 Q N -0.113 119.733 119.800 0.077 0.000 2.152 181 Q HA -0.173 4.167 4.340 -0.000 0.000 0.206 181 Q C 1.813 177.813 176.000 0.001 0.000 0.985 181 Q CA 2.093 57.923 55.803 0.045 0.000 0.863 181 Q CB -0.018 28.740 28.738 0.034 0.000 0.904 181 Q HN 0.380 nan 8.270 nan 0.000 0.422 182 T N 0.291 114.799 114.554 -0.076 0.000 2.684 182 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 182 T C 1.384 175.907 174.700 -0.295 0.000 1.036 182 T CA 1.459 63.416 62.100 -0.238 0.000 1.148 182 T CB -0.351 68.256 68.868 -0.436 0.000 0.863 182 T HN 0.234 nan 8.240 nan 0.000 0.436 183 F N 0.706 120.668 119.950 0.019 0.000 2.325 183 F HA 0.041 4.568 4.527 -0.000 0.000 0.299 183 F C 2.392 178.199 175.800 0.013 0.000 1.090 183 F CA 0.016 58.022 58.000 0.010 0.000 1.392 183 F CB -0.896 38.104 39.000 -0.000 0.000 1.053 183 F HN -0.031 nan 8.300 nan 0.000 0.521 184 V N -0.731 119.278 119.914 0.158 0.000 2.307 184 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 184 V C 2.299 178.427 176.094 0.055 0.000 1.045 184 V CA 1.458 63.818 62.300 0.100 0.000 1.024 184 V CB -0.633 31.239 31.823 0.083 0.000 0.651 184 V HN 0.146 nan 8.190 nan 0.000 0.449 185 V N 0.051 119.982 119.914 0.028 0.000 2.407 185 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 185 V C 2.538 178.620 176.094 -0.020 0.000 1.055 185 V CA 2.285 64.587 62.300 0.004 0.000 1.049 185 V CB -0.843 30.984 31.823 0.006 0.000 0.662 185 V HN 0.502 nan 8.190 nan 0.000 0.455 186 R N 0.323 120.815 120.500 -0.013 0.000 2.080 186 R HA -0.182 4.158 4.340 -0.000 0.000 0.236 186 R C 2.492 178.790 176.300 -0.003 0.000 1.137 186 R CA 2.135 58.227 56.100 -0.013 0.000 0.943 186 R CB -0.354 29.975 30.300 0.048 0.000 0.846 186 R HN 0.521 nan 8.270 nan 0.000 0.431 187 S N 0.547 116.268 115.700 0.036 0.000 2.382 187 S HA -0.106 4.364 4.470 -0.000 0.000 0.228 187 S C 1.694 176.292 174.600 -0.003 0.000 1.027 187 S CA 1.291 59.507 58.200 0.027 0.000 0.991 187 S CB -0.094 63.136 63.200 0.049 0.000 0.823 187 S HN 0.371 nan 8.310 nan 0.000 0.469 188 K N 0.817 121.211 120.400 -0.010 0.000 2.057 188 K HA 0.014 4.334 4.320 -0.000 0.000 0.207 188 K C 1.993 178.552 176.600 -0.069 0.000 1.049 188 K CA 1.158 57.429 56.287 -0.026 0.000 0.931 188 K CB -0.314 32.176 32.500 -0.016 0.000 0.714 188 K HN 0.334 nan 8.250 nan 0.000 0.440 189 I N 1.119 121.621 120.570 -0.114 0.000 2.179 189 I HA -0.303 3.867 4.170 -0.000 0.000 0.242 189 I C 2.254 178.266 176.117 -0.176 0.000 1.088 189 I CA 1.218 62.393 61.300 -0.209 0.000 1.357 189 I CB -0.259 37.553 38.000 -0.314 0.000 1.051 189 I HN 0.135 nan 8.210 nan 0.000 0.409 190 L N 0.537 121.691 121.223 -0.114 0.000 2.042 190 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 190 L C 2.831 179.674 176.870 -0.044 0.000 1.076 190 L CA 1.415 56.210 54.840 -0.075 0.000 0.749 190 L CB -0.661 41.378 42.059 -0.032 0.000 0.893 190 L HN 0.264 nan 8.230 nan 0.000 0.432 191 A N -0.218 122.583 122.820 -0.032 0.000 1.933 191 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 191 A C 2.482 180.055 177.584 -0.019 0.000 1.175 191 A CA 1.740 53.771 52.037 -0.010 0.000 0.628 191 A CB -0.638 18.360 19.000 -0.004 0.000 0.814 191 A HN 0.422 nan 8.150 nan 0.000 0.444 192 A N -0.285 122.502 122.820 -0.055 0.000 1.968 192 A HA 0.031 4.351 4.320 -0.000 0.000 0.217 192 A C 2.091 179.636 177.584 -0.066 0.000 1.169 192 A CA 1.269 53.271 52.037 -0.058 0.000 0.638 192 A CB -0.498 18.441 19.000 -0.101 0.000 0.812 192 A HN 0.489 nan 8.150 nan 0.000 0.446 193 I N -0.830 119.663 120.570 -0.129 0.000 2.163 193 I HA -0.262 3.908 4.170 -0.000 0.000 0.240 193 I C 2.759 178.819 176.117 -0.094 0.000 1.081 193 I CA 1.301 62.499 61.300 -0.169 0.000 1.353 193 I CB -0.379 37.488 38.000 -0.222 0.000 1.054 193 I HN 0.289 nan 8.210 nan 0.000 0.407 194 R N 0.301 120.790 120.500 -0.019 0.000 2.091 194 R HA -0.259 4.081 4.340 -0.000 0.000 0.238 194 R C 2.310 178.645 176.300 0.058 0.000 1.136 194 R CA 1.733 57.882 56.100 0.082 0.000 0.959 194 R CB -0.442 29.956 30.300 0.163 0.000 0.856 194 R HN 0.485 nan 8.270 nan 0.000 0.437 195 Q N 0.005 119.834 119.800 0.047 0.000 2.119 195 Q HA -0.185 4.155 4.340 -0.000 0.000 0.201 195 Q C 1.878 177.903 176.000 0.041 0.000 0.972 195 Q CA 1.372 57.203 55.803 0.045 0.000 0.847 195 Q CB -0.092 28.669 28.738 0.038 0.000 0.903 195 Q HN 0.293 nan 8.270 nan 0.000 0.433 196 F N 0.496 120.378 119.950 -0.113 0.000 2.075 196 F HA -0.265 4.262 4.527 0.000 0.000 0.297 196 F C 2.035 177.741 175.800 -0.156 0.000 1.113 196 F CA 1.416 59.336 58.000 -0.132 0.000 1.218 196 F CB -0.102 38.789 39.000 -0.182 0.000 0.984 196 F HN 0.107 nan 8.300 nan 0.000 0.472 197 M N -0.101 119.459 119.600 -0.066 0.000 2.086 197 M HA -0.169 4.311 4.480 -0.000 0.000 0.261 197 M C 2.274 178.558 176.300 -0.027 0.000 1.067 197 M CA 1.291 56.404 55.300 -0.312 0.000 1.116 197 M CB -1.384 30.617 32.600 -0.998 0.000 1.348 197 M HN 0.100 nan 8.290 nan 0.000 0.407 198 V N 0.498 120.438 119.914 0.043 0.000 2.407 198 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 198 V C 2.603 178.726 176.094 0.048 0.000 1.055 198 V CA 1.650 64.025 62.300 0.126 0.000 1.049 198 V CB -1.276 30.620 31.823 0.122 0.000 0.662 198 V HN 0.507 nan 8.190 nan 0.000 0.455 199 A N -0.205 122.594 122.820 -0.034 0.000 2.125 199 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 199 A C 2.133 179.665 177.584 -0.087 0.000 1.156 199 A CA 1.257 53.248 52.037 -0.078 0.000 0.671 199 A CB -0.384 18.531 19.000 -0.141 0.000 0.794 199 A HN 0.559 nan 8.150 nan 0.000 0.459 200 R N -1.515 118.956 120.500 -0.048 0.000 2.552 200 R HA 0.302 4.642 4.340 -0.000 0.000 0.314 200 R C 1.014 177.340 176.300 0.042 0.000 1.041 200 R CA 0.458 56.567 56.100 0.014 0.000 1.076 200 R CB 0.103 30.431 30.300 0.047 0.000 1.290 200 R HN 0.571 nan 8.270 nan 0.000 0.563 201 G N 0.562 109.378 108.800 0.027 0.000 2.143 201 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.249 201 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.249 201 G C -0.031 174.821 174.900 -0.079 0.000 0.981 201 G CA -0.234 44.834 45.100 -0.052 0.000 0.665 201 G HN 0.220 nan 8.290 nan 0.000 0.528 202 F N -0.110 119.876 119.950 0.060 0.000 2.389 202 F HA 0.713 5.240 4.527 0.000 0.000 0.337 202 F C 0.806 176.743 175.800 0.228 0.000 1.112 202 F CA -0.396 57.708 58.000 0.173 0.000 1.192 202 F CB 1.405 40.527 39.000 0.203 0.000 1.185 202 F HN 0.088 nan 8.300 nan 0.000 0.552 203 M N 2.938 122.743 119.600 0.341 0.000 2.253 203 M HA 0.290 4.770 4.480 -0.000 0.000 0.314 203 M C -0.645 175.584 176.300 -0.118 0.000 1.019 203 M CA -0.445 54.900 55.300 0.076 0.000 0.932 203 M CB 1.341 33.865 32.600 -0.126 0.000 1.606 203 M HN 0.674 nan 8.290 nan 0.000 0.430 204 E N 2.746 122.733 120.200 -0.354 0.000 2.366 204 E HA 0.479 4.829 4.350 -0.000 0.000 0.266 204 E C -1.670 174.684 176.600 -0.411 0.000 1.051 204 E CA -0.386 55.546 56.400 -0.781 0.000 0.884 204 E CB 1.339 30.581 29.700 -0.764 0.000 1.006 204 E HN 0.598 nan 8.360 nan 0.000 0.417 205 V N 2.781 122.477 119.914 -0.363 0.000 3.114 205 V HA 0.273 4.393 4.120 -0.000 0.000 0.308 205 V C -1.379 174.630 176.094 -0.142 0.000 1.168 205 V CA -0.701 61.484 62.300 -0.193 0.000 1.015 205 V CB 2.501 34.257 31.823 -0.111 0.000 1.050 205 V HN 0.726 nan 8.190 nan 0.000 0.433 206 E N 1.577 121.724 120.200 -0.088 0.000 2.182 206 E HA 0.533 4.883 4.350 -0.000 0.000 0.258 206 E C -0.889 175.678 176.600 -0.056 0.000 0.879 206 E CA -0.434 55.922 56.400 -0.072 0.000 0.754 206 E CB 1.967 31.626 29.700 -0.069 0.000 1.162 206 E HN 0.826 nan 8.360 nan 0.000 0.419 207 T N 0.007 114.524 114.554 -0.062 0.000 2.945 207 T HA 0.538 4.888 4.350 -0.000 0.000 0.286 207 T C -2.435 172.159 174.700 -0.176 0.000 1.025 207 T CA -2.453 59.585 62.100 -0.104 0.000 1.039 207 T CB 1.228 70.071 68.868 -0.041 0.000 1.068 207 T HN 0.021 nan 8.240 nan 0.000 0.497 208 P HA 0.111 nan 4.420 nan 0.000 0.264 208 P C 0.237 177.429 177.300 -0.179 0.000 1.179 208 P CA -0.162 62.765 63.100 -0.289 0.000 0.763 208 P CB 0.311 31.722 31.700 -0.481 0.000 0.806 209 M N 2.010 121.555 119.600 -0.092 0.000 2.545 209 M HA 0.187 4.667 4.480 -0.000 0.000 0.264 209 M C 0.463 176.746 176.300 -0.029 0.000 1.155 209 M CA 1.263 56.563 55.300 -0.001 0.000 1.162 209 M CB 0.175 32.796 32.600 0.035 0.000 1.330 209 M HN 0.287 nan 8.290 nan 0.000 0.479 210 M N 0.999 120.554 119.600 -0.075 0.000 2.149 210 M HA 0.343 4.823 4.480 -0.000 0.000 0.342 210 M C -1.017 175.262 176.300 -0.035 0.000 1.068 210 M CA -0.127 55.137 55.300 -0.061 0.000 0.991 210 M CB 1.580 34.130 32.600 -0.084 0.000 1.596 210 M HN 0.059 nan 8.290 nan 0.000 0.439 211 Q N 1.425 121.247 119.800 0.036 0.000 2.377 211 Q HA 0.404 4.744 4.340 -0.000 0.000 0.271 211 Q C 0.531 176.613 176.000 0.136 0.000 1.077 211 Q CA -0.758 55.095 55.803 0.083 0.000 0.820 211 Q CB 2.981 31.799 28.738 0.134 0.000 1.347 211 Q HN 0.567 nan 8.270 nan 0.000 0.444 212 V N 0.989 120.976 119.914 0.121 0.000 2.379 212 V HA -0.057 4.063 4.120 -0.000 0.000 0.245 212 V C 0.682 176.830 176.094 0.091 0.000 1.044 212 V CA 1.387 63.754 62.300 0.112 0.000 1.036 212 V CB -0.042 31.824 31.823 0.071 0.000 0.664 212 V HN 0.598 nan 8.190 nan 0.000 0.453 213 I N 2.308 122.851 120.570 -0.045 0.000 2.447 213 I HA 0.359 4.529 4.170 -0.000 0.000 0.287 213 I C -2.566 173.368 176.117 -0.304 0.000 1.023 213 I CA -1.913 59.180 61.300 -0.346 0.000 1.083 213 I CB 2.544 40.387 38.000 -0.261 0.000 1.245 213 I HN 0.102 nan 8.210 nan 0.000 0.434 214 P HA 0.480 nan 4.420 nan 0.000 0.277 214 P C -0.346 176.906 177.300 -0.080 0.000 1.240 214 P CA 0.040 63.010 63.100 -0.215 0.000 0.798 214 P CB 2.065 33.601 31.700 -0.274 0.000 0.979 215 G N -1.460 107.349 108.800 0.015 0.000 2.430 215 G HA2 0.472 4.432 3.960 -0.000 0.000 0.300 215 G HA3 0.472 4.432 3.960 -0.000 0.000 0.300 215 G C 0.000 174.933 174.900 0.055 0.000 1.330 215 G CA 0.353 45.474 45.100 0.033 0.000 0.813 215 G HN 0.741 nan 8.290 nan 0.000 0.487 216 G N -1.838 106.994 108.800 0.055 0.000 2.175 216 G HA2 0.430 4.390 3.960 -0.000 0.000 0.244 216 G HA3 0.430 4.390 3.960 -0.000 0.000 0.244 216 G C 0.566 175.529 174.900 0.106 0.000 0.982 216 G CA 1.325 46.467 45.100 0.071 0.000 0.641 216 G HN 2.562 nan 8.290 nan 0.000 0.527 217 A N -1.407 121.478 122.820 0.108 0.000 2.483 217 A HA 0.811 5.131 4.320 -0.000 0.000 0.294 217 A C -0.495 177.151 177.584 0.103 0.000 1.077 217 A CA 0.579 52.682 52.037 0.110 0.000 0.633 217 A CB 0.312 19.385 19.000 0.122 0.000 1.318 217 A HN 1.362 nan 8.150 nan 0.000 0.455 218 S N 0.064 115.819 115.700 0.092 0.000 2.520 218 S HA 0.784 5.254 4.470 -0.000 0.000 0.324 218 S C -0.190 174.460 174.600 0.083 0.000 1.069 218 S CA 0.229 58.476 58.200 0.080 0.000 1.121 218 S CB 0.803 64.042 63.200 0.065 0.000 0.971 218 S HN 2.012 nan 8.310 nan 0.000 0.463 219 A N 3.222 126.095 122.820 0.088 0.000 2.586 219 A HA 0.670 4.990 4.320 -0.000 0.000 0.291 219 A C -1.103 176.532 177.584 0.084 0.000 1.062 219 A CA -0.994 51.094 52.037 0.085 0.000 0.666 219 A CB 1.055 20.124 19.000 0.115 0.000 1.281 219 A HN 0.629 nan 8.150 nan 0.000 0.421 220 R N 1.404 121.937 120.500 0.055 0.000 2.248 220 R HA 0.435 4.775 4.340 -0.000 0.000 0.328 220 R C -2.314 174.007 176.300 0.036 0.000 1.067 220 R CA -1.351 54.773 56.100 0.040 0.000 0.924 220 R CB 0.735 31.028 30.300 -0.012 0.000 1.013 220 R HN 0.563 nan 8.270 nan 0.000 0.454 221 P HA 0.105 nan 4.420 nan 0.000 0.278 221 P C -0.857 176.511 177.300 0.113 0.000 1.258 221 P CA -0.262 62.956 63.100 0.196 0.000 0.811 221 P CB 0.750 32.635 31.700 0.308 0.000 1.063 222 F N 0.061 120.115 119.950 0.174 0.000 2.379 222 F HA 0.432 4.959 4.527 -0.000 0.000 0.332 222 F C 0.883 176.712 175.800 0.049 0.000 1.096 222 F CA -0.241 57.810 58.000 0.086 0.000 1.105 222 F CB 0.804 39.810 39.000 0.010 0.000 1.189 222 F HN 0.033 nan 8.300 nan 0.000 0.515 223 I N 1.302 121.967 120.570 0.158 0.000 2.569 223 I HA 0.471 4.641 4.170 -0.000 0.000 0.296 223 I C -0.313 175.777 176.117 -0.045 0.000 1.028 223 I CA -0.535 60.720 61.300 -0.076 0.000 1.082 223 I CB 2.374 40.265 38.000 -0.180 0.000 1.264 223 I HN 0.467 nan 8.210 nan 0.000 0.429 224 T N 2.988 117.479 114.554 -0.105 0.000 2.883 224 T HA 0.327 4.676 4.350 -0.000 0.000 0.301 224 T C -1.527 173.157 174.700 -0.027 0.000 1.158 224 T CA -0.463 61.604 62.100 -0.055 0.000 1.007 224 T CB 1.564 70.376 68.868 -0.092 0.000 1.186 224 T HN 0.603 nan 8.240 nan 0.000 0.499 225 H N 2.071 121.093 119.070 -0.080 0.000 2.481 225 H HA 0.313 4.869 4.556 0.000 0.000 0.333 225 H C -0.882 174.446 175.328 0.000 0.000 1.066 225 H CA -0.334 55.688 56.048 -0.044 0.000 1.209 225 H CB 0.871 30.613 29.762 -0.033 0.000 1.445 225 H HN 0.768 nan 8.280 nan 0.000 0.488 226 H N 5.057 123.822 119.070 -0.508 0.000 2.620 226 H HA 0.084 4.640 4.556 -0.000 0.000 0.313 226 H C 0.562 175.609 175.328 -0.468 0.000 1.075 226 H CA -0.573 55.262 56.048 -0.356 0.000 1.397 226 H CB 0.893 30.496 29.762 -0.265 0.000 1.446 226 H HN 0.659 nan 8.280 nan 0.000 0.493 227 N N 3.638 122.424 118.700 0.143 0.000 2.220 227 N HA -0.105 4.635 4.740 -0.000 0.000 0.182 227 N C 1.891 177.438 175.510 0.063 0.000 1.023 227 N CA 1.073 54.194 53.050 0.119 0.000 0.856 227 N CB -0.285 38.283 38.487 0.136 0.000 0.997 227 N HN 0.715 nan 8.380 nan 0.000 0.429 228 A N 1.415 124.302 122.820 0.111 0.000 1.917 228 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 228 A C 2.125 179.584 177.584 -0.207 0.000 1.182 228 A CA 1.230 53.235 52.037 -0.054 0.000 0.633 228 A CB -0.628 18.361 19.000 -0.018 0.000 0.819 228 A HN 0.247 nan 8.150 nan 0.000 0.448 229 L N -1.905 119.058 121.223 -0.434 0.000 2.585 229 L HA 0.087 4.427 4.340 -0.000 0.000 0.226 229 L C 0.842 177.589 176.870 -0.205 0.000 1.113 229 L CA 0.488 55.119 54.840 -0.347 0.000 0.876 229 L CB -0.028 41.736 42.059 -0.491 0.000 1.072 229 L HN 0.370 nan 8.230 nan 0.000 0.468 230 D N 0.598 120.888 120.400 -0.184 0.000 3.039 230 D HA -0.218 4.422 4.640 -0.000 0.000 0.222 230 D C -0.039 176.198 176.300 -0.104 0.000 1.179 230 D CA 0.683 54.649 54.000 -0.057 0.000 0.880 230 D CB -0.657 40.183 40.800 0.066 0.000 1.115 230 D HN 0.085 nan 8.370 nan 0.000 0.416 231 L N 1.422 122.485 121.223 -0.266 0.000 2.305 231 L HA 0.377 4.717 4.340 -0.000 0.000 0.281 231 L C -0.120 176.629 176.870 -0.202 0.000 1.085 231 L CA -0.190 54.554 54.840 -0.160 0.000 0.813 231 L CB 1.162 43.139 42.059 -0.136 0.000 1.157 231 L HN -0.124 nan 8.230 nan 0.000 0.436 232 D N 5.394 125.766 120.400 -0.047 0.000 2.308 232 D HA 0.453 5.093 4.640 -0.000 0.000 0.251 232 D C -0.279 175.921 176.300 -0.167 0.000 1.127 232 D CA 0.566 54.530 54.000 -0.061 0.000 0.876 232 D CB 0.767 41.538 40.800 -0.049 0.000 1.176 232 D HN 0.461 nan 8.370 nan 0.000 0.446 233 M N 1.916 121.386 119.600 -0.217 0.000 2.591 233 M HA 0.408 4.888 4.480 -0.000 0.000 0.306 233 M C -1.241 174.886 176.300 -0.288 0.000 1.190 233 M CA -0.903 54.294 55.300 -0.171 0.000 0.889 233 M CB 1.765 34.327 32.600 -0.063 0.000 1.728 233 M HN 0.310 nan 8.290 nan 0.000 0.458 234 Y N 1.006 121.282 120.300 -0.038 0.000 2.420 234 Y HA 0.544 5.094 4.550 0.000 0.000 0.334 234 Y C -0.182 175.701 175.900 -0.029 0.000 1.094 234 Y CA -0.737 57.353 58.100 -0.016 0.000 1.126 234 Y CB 1.120 39.563 38.460 -0.029 0.000 1.217 234 Y HN 0.470 nan 8.280 nan 0.000 0.462 235 L N 3.622 124.922 121.223 0.130 0.000 2.349 235 L HA 0.312 4.652 4.340 -0.000 0.000 0.275 235 L C 0.761 177.742 176.870 0.185 0.000 1.115 235 L CA -0.552 54.275 54.840 -0.023 0.000 0.820 235 L CB 0.585 42.437 42.059 -0.345 0.000 1.135 235 L HN 0.600 nan 8.230 nan 0.000 0.445 236 R N 3.961 124.584 120.500 0.205 0.000 2.494 236 R HA -0.055 4.285 4.340 -0.000 0.000 0.291 236 R C 0.844 177.318 176.300 0.290 0.000 0.953 236 R CA 0.273 56.513 56.100 0.233 0.000 1.098 236 R CB 0.308 30.724 30.300 0.194 0.000 0.911 236 R HN 0.796 nan 8.270 nan 0.000 0.407 237 I N 0.969 121.661 120.570 0.204 0.000 3.941 237 I HA 0.382 4.552 4.170 -0.000 0.000 0.321 237 I C 0.154 176.345 176.117 0.123 0.000 1.284 237 I CA 0.081 61.494 61.300 0.188 0.000 1.226 237 I CB 0.471 38.583 38.000 0.187 0.000 1.045 237 I HN 0.528 nan 8.210 nan 0.000 0.420 238 A N 2.079 124.963 122.820 0.106 0.000 2.585 238 A HA 0.504 4.824 4.320 -0.000 0.000 0.299 238 A C -2.658 174.989 177.584 0.104 0.000 1.047 238 A CA -0.624 51.464 52.037 0.086 0.000 0.723 238 A CB 0.481 19.541 19.000 0.100 0.000 1.275 238 A HN 0.007 nan 8.150 nan 0.000 0.408 239 P HA 0.054 nan 4.420 nan 0.000 0.257 239 P C 0.690 178.081 177.300 0.151 0.000 1.325 239 P CA 0.356 63.536 63.100 0.133 0.000 0.850 239 P CB 0.514 32.267 31.700 0.089 0.000 1.324 240 E N 1.173 121.443 120.200 0.117 0.000 2.023 240 E HA -0.164 4.186 4.350 -0.000 0.000 0.196 240 E C 1.897 178.436 176.600 -0.103 0.000 1.003 240 E CA 1.257 57.699 56.400 0.070 0.000 0.809 240 E CB -0.597 29.164 29.700 0.102 0.000 0.755 240 E HN 0.167 nan 8.360 nan 0.000 0.449 241 L N -0.211 120.904 121.223 -0.180 0.000 2.131 241 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 241 L C 2.386 179.097 176.870 -0.265 0.000 1.092 241 L CA 1.089 55.667 54.840 -0.438 0.000 0.759 241 L CB -0.547 41.136 42.059 -0.626 0.000 0.903 241 L HN 0.264 nan 8.230 nan 0.000 0.435 242 Y N -0.129 120.134 120.300 -0.062 0.000 2.220 242 Y HA -0.136 4.414 4.550 -0.000 0.000 0.291 242 Y C 2.459 178.339 175.900 -0.033 0.000 1.129 242 Y CA 0.937 59.029 58.100 -0.013 0.000 1.161 242 Y CB -0.319 38.139 38.460 -0.002 0.000 0.997 242 Y HN -0.009 nan 8.280 nan 0.000 0.522 243 L N -0.061 121.198 121.223 0.060 0.000 2.042 243 L HA -0.278 4.062 4.340 -0.000 0.000 0.210 243 L C 2.342 179.089 176.870 -0.206 0.000 1.076 243 L CA 1.614 56.422 54.840 -0.054 0.000 0.749 243 L CB -0.482 41.529 42.059 -0.080 0.000 0.893 243 L HN 0.155 nan 8.230 nan 0.000 0.432 244 K N -0.337 119.865 120.400 -0.330 0.000 2.148 244 K HA -0.132 4.188 4.320 -0.000 0.000 0.204 244 K C 2.256 178.837 176.600 -0.033 0.000 1.050 244 K CA 0.874 57.018 56.287 -0.240 0.000 0.942 244 K CB 0.012 32.441 32.500 -0.117 0.000 0.724 244 K HN 0.201 nan 8.250 nan 0.000 0.446 245 R N 0.515 121.031 120.500 0.026 0.000 2.120 245 R HA -0.077 4.263 4.340 -0.000 0.000 0.234 245 R C 2.097 178.396 176.300 -0.003 0.000 1.123 245 R CA 1.022 57.136 56.100 0.023 0.000 0.975 245 R CB -0.159 30.161 30.300 0.032 0.000 0.866 245 R HN 0.188 nan 8.270 nan 0.000 0.446 246 L N -0.129 121.112 121.223 0.030 0.000 2.217 246 L HA -0.101 4.239 4.340 -0.000 0.000 0.211 246 L C 2.136 179.023 176.870 0.028 0.000 1.107 246 L CA 0.619 55.493 54.840 0.057 0.000 0.783 246 L CB -0.226 41.966 42.059 0.222 0.000 0.919 246 L HN 0.034 nan 8.230 nan 0.000 0.442 247 V N -0.843 119.082 119.914 0.018 0.000 2.548 247 V HA -0.166 3.954 4.120 -0.000 0.000 0.249 247 V C 2.412 178.489 176.094 -0.029 0.000 1.055 247 V CA 0.991 63.300 62.300 0.015 0.000 1.065 247 V CB 0.116 31.940 31.823 0.002 0.000 0.681 247 V HN 0.185 nan 8.190 nan 0.000 0.462 248 V N 1.113 120.999 119.914 -0.047 0.000 2.427 248 V HA -0.139 3.981 4.120 -0.000 0.000 0.248 248 V C 2.470 178.513 176.094 -0.085 0.000 1.051 248 V CA 2.089 64.356 62.300 -0.056 0.000 1.048 248 V CB -1.111 30.678 31.823 -0.057 0.000 0.666 248 V HN 0.614 nan 8.190 nan 0.000 0.456 249 G N -1.362 107.360 108.800 -0.130 0.000 2.848 249 G HA2 0.335 4.295 3.960 -0.000 0.000 0.208 249 G HA3 0.335 4.295 3.960 -0.000 0.000 0.208 249 G C 1.191 175.923 174.900 -0.280 0.000 1.152 249 G CA 0.819 45.789 45.100 -0.216 0.000 0.789 249 G HN 0.890 nan 8.290 nan 0.000 0.531 250 G N -0.688 108.006 108.800 -0.178 0.000 2.253 250 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.209 250 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.209 250 G C 0.191 175.095 174.900 0.007 0.000 0.997 250 G CA -0.323 44.707 45.100 -0.116 0.000 0.640 250 G HN 0.186 nan 8.290 nan 0.000 0.496 251 F N 3.063 123.023 119.950 0.017 0.000 2.600 251 F HA 0.405 4.932 4.527 -0.000 0.000 0.345 251 F C 1.515 177.334 175.800 0.032 0.000 1.271 251 F CA -0.583 57.431 58.000 0.024 0.000 1.138 251 F CB 0.189 39.205 39.000 0.026 0.000 1.449 251 F HN 0.287 nan 8.300 nan 0.000 0.645 252 E N 1.401 121.727 120.200 0.210 0.000 2.427 252 E HA -0.016 4.334 4.350 -0.000 0.000 0.196 252 E C 0.441 177.083 176.600 0.071 0.000 1.028 252 E CA 0.587 57.063 56.400 0.126 0.000 0.864 252 E CB 0.265 30.056 29.700 0.152 0.000 0.813 252 E HN 0.384 nan 8.360 nan 0.000 0.514 253 R N 0.888 121.408 120.500 0.034 0.000 2.545 253 R HA 0.380 4.720 4.340 -0.000 0.000 0.289 253 R C -1.495 174.882 176.300 0.128 0.000 1.327 253 R CA -0.244 55.783 56.100 -0.122 0.000 1.040 253 R CB 1.960 31.922 30.300 -0.564 0.000 1.176 253 R HN -0.117 nan 8.270 nan 0.000 0.518 254 V N 4.494 124.626 119.914 0.362 0.000 2.823 254 V HA 0.710 4.830 4.120 -0.000 0.000 0.312 254 V C -1.086 175.344 176.094 0.560 0.000 1.072 254 V CA -0.703 61.822 62.300 0.374 0.000 0.937 254 V CB 2.260 34.235 31.823 0.254 0.000 1.013 254 V HN 0.602 nan 8.190 nan 0.000 0.430 255 F N 2.304 122.395 119.950 0.235 0.000 2.686 255 F HA 0.878 5.405 4.527 -0.000 0.000 0.311 255 F C -1.044 174.806 175.800 0.082 0.000 1.128 255 F CA -0.743 57.344 58.000 0.145 0.000 0.946 255 F CB 1.877 40.896 39.000 0.031 0.000 1.336 255 F HN 0.524 nan 8.300 nan 0.000 0.457 256 E N 2.200 122.463 120.200 0.105 0.000 2.354 256 E HA 0.560 4.910 4.350 -0.000 0.000 0.283 256 E C -2.122 174.525 176.600 0.079 0.000 0.938 256 E CA -0.691 55.671 56.400 -0.063 0.000 0.777 256 E CB 2.324 32.014 29.700 -0.018 0.000 1.222 256 E HN 0.782 nan 8.360 nan 0.000 0.423 257 I N 4.270 124.855 120.570 0.024 0.000 2.411 257 I HA 0.504 4.674 4.170 -0.000 0.000 0.284 257 I C -0.234 175.870 176.117 -0.021 0.000 1.012 257 I CA -0.585 60.741 61.300 0.044 0.000 1.119 257 I CB 1.290 39.344 38.000 0.091 0.000 1.261 257 I HN 0.451 nan 8.210 nan 0.000 0.448 258 N N 4.510 123.178 118.700 -0.053 0.000 3.395 258 N HA 0.381 5.121 4.740 -0.000 0.000 0.293 258 N C -1.152 174.249 175.510 -0.181 0.000 1.489 258 N CA -0.824 52.170 53.050 -0.093 0.000 0.871 258 N CB 1.924 40.364 38.487 -0.077 0.000 1.649 258 N HN 0.402 nan 8.380 nan 0.000 0.501 259 R N 0.528 120.874 120.500 -0.257 0.000 2.490 259 R HA 0.459 4.799 4.340 -0.000 0.000 0.278 259 R C -0.600 175.291 176.300 -0.682 0.000 1.069 259 R CA -0.287 55.503 56.100 -0.516 0.000 1.080 259 R CB 0.404 30.340 30.300 -0.607 0.000 1.030 259 R HN 0.447 nan 8.270 nan 0.000 0.491 260 N N 0.938 119.040 118.700 -0.997 0.000 2.328 260 N HA 0.451 5.191 4.740 -0.000 0.000 0.299 260 N C -1.443 173.478 175.510 -0.981 0.000 1.179 260 N CA -0.437 52.119 53.050 -0.823 0.000 0.793 260 N CB 1.223 39.247 38.487 -0.772 0.000 1.366 260 N HN 0.250 nan 8.380 nan 0.000 0.493 261 F N 0.060 119.968 119.950 -0.070 0.000 2.540 261 F HA 0.584 5.111 4.527 0.000 0.000 0.317 261 F C 0.242 176.273 175.800 0.385 0.000 1.104 261 F CA -0.719 57.392 58.000 0.184 0.000 0.913 261 F CB 1.893 40.990 39.000 0.162 0.000 1.170 261 F HN 0.013 nan 8.300 nan 0.000 0.450 262 R N 1.336 122.237 120.500 0.669 0.000 2.584 262 R HA 0.286 4.626 4.340 -0.000 0.000 0.276 262 R C -1.268 175.133 176.300 0.168 0.000 1.046 262 R CA -0.996 55.328 56.100 0.374 0.000 0.906 262 R CB 2.049 32.535 30.300 0.309 0.000 1.215 262 R HN 0.510 nan 8.270 nan 0.000 0.449 263 N N 3.042 121.613 118.700 -0.215 0.000 2.555 263 N HA 0.101 4.841 4.740 -0.000 0.000 0.244 263 N C -0.873 174.560 175.510 -0.129 0.000 1.114 263 N CA 0.453 53.274 53.050 -0.383 0.000 0.963 263 N CB 0.831 39.003 38.487 -0.526 0.000 1.276 263 N HN 0.535 nan 8.380 nan 0.000 0.510 264 E N -0.651 119.521 120.200 -0.048 0.000 2.459 264 E HA 0.470 4.820 4.350 -0.000 0.000 0.275 264 E C 0.008 176.622 176.600 0.024 0.000 0.987 264 E CA -1.098 55.280 56.400 -0.038 0.000 0.828 264 E CB 1.054 30.675 29.700 -0.132 0.000 1.428 264 E HN 0.342 nan 8.360 nan 0.000 0.457 265 G N 0.728 109.561 108.800 0.054 0.000 2.491 265 G HA2 0.050 4.010 3.960 -0.000 0.000 0.238 265 G HA3 0.050 4.010 3.960 -0.000 0.000 0.238 265 G C 0.807 175.792 174.900 0.142 0.000 1.277 265 G CA -0.246 44.913 45.100 0.099 0.000 0.851 265 G HN 0.445 nan 8.290 nan 0.000 0.573 266 I N 1.640 122.290 120.570 0.133 0.000 2.700 266 I HA -0.221 3.949 4.170 -0.000 0.000 0.261 266 I C 2.874 179.083 176.117 0.153 0.000 1.219 266 I CA 1.610 62.997 61.300 0.146 0.000 1.463 266 I CB -1.072 37.001 38.000 0.122 0.000 1.092 266 I HN 0.863 nan 8.210 nan 0.000 0.452 267 S N 0.403 116.189 115.700 0.142 0.000 2.522 267 S HA -0.382 4.088 4.470 -0.000 0.000 0.252 267 S C 1.776 176.392 174.600 0.025 0.000 1.326 267 S CA 3.210 61.467 58.200 0.095 0.000 1.609 267 S CB -1.655 61.628 63.200 0.137 0.000 2.131 267 S HN 1.328 nan 8.310 nan 0.000 0.705 268 V N -4.155 115.782 119.914 0.039 0.000 2.348 268 V HA 0.142 4.262 4.120 -0.000 0.000 0.127 268 V C 1.662 177.744 176.094 -0.020 0.000 0.718 268 V CA 3.520 65.835 62.300 0.024 0.000 1.447 268 V CB -2.596 29.250 31.823 0.039 0.000 1.517 268 V HN 2.586 nan 8.190 nan 0.000 0.999 269 R N -1.363 119.088 120.500 -0.083 0.000 2.527 269 R HA 0.630 4.970 4.340 -0.000 0.000 0.402 269 R C 0.270 176.432 176.300 -0.230 0.000 0.933 269 R CA 1.083 57.087 56.100 -0.160 0.000 1.171 269 R CB -0.159 30.005 30.300 -0.227 0.000 1.612 269 R HN 1.105 nan 8.270 nan 0.000 0.546 270 H N -1.125 117.938 119.070 -0.013 0.000 2.946 270 H HA 0.637 5.193 4.556 -0.000 0.000 0.365 270 H C -1.321 174.016 175.328 0.015 0.000 1.197 270 H CA -0.957 55.076 56.048 -0.025 0.000 1.131 270 H CB 2.400 32.155 29.762 -0.012 0.000 1.849 270 H HN 0.248 nan 8.280 nan 0.000 0.555 271 N N 0.899 119.715 118.700 0.194 0.000 2.371 271 N HA 0.088 4.828 4.740 -0.000 0.000 0.280 271 N C -2.275 173.381 175.510 0.243 0.000 1.084 271 N CA -1.673 51.487 53.050 0.184 0.000 0.892 271 N CB 2.658 41.243 38.487 0.163 0.000 1.653 271 N HN 0.370 nan 8.380 nan 0.000 0.480 272 P HA -0.107 nan 4.420 nan 0.000 0.220 272 P C -0.470 177.091 177.300 0.434 0.000 1.148 272 P CA 1.321 64.665 63.100 0.407 0.000 0.803 272 P CB 0.303 32.291 31.700 0.479 0.000 0.782 273 E N 0.385 120.756 120.200 0.284 0.000 2.210 273 E HA 0.537 4.887 4.350 -0.000 0.000 0.266 273 E C -0.866 175.815 176.600 0.134 0.000 0.883 273 E CA -1.106 55.327 56.400 0.054 0.000 0.761 273 E CB 1.556 31.197 29.700 -0.098 0.000 1.156 273 E HN 0.041 nan 8.360 nan 0.000 0.412 274 F N -1.294 118.561 119.950 -0.160 0.000 2.645 274 F HA 0.560 5.087 4.527 -0.000 0.000 0.310 274 F C -0.930 174.797 175.800 -0.122 0.000 1.102 274 F CA -1.280 56.666 58.000 -0.090 0.000 0.952 274 F CB 1.303 40.286 39.000 -0.027 0.000 1.326 274 F HN 0.183 nan 8.300 nan 0.000 0.456 275 T N 4.168 118.726 114.554 0.008 0.000 2.771 275 T HA 0.551 4.901 4.350 -0.000 0.000 0.291 275 T C -0.220 174.487 174.700 0.011 0.000 0.954 275 T CA -0.361 61.698 62.100 -0.067 0.000 1.045 275 T CB 0.560 69.421 68.868 -0.011 0.000 0.917 275 T HN 0.434 nan 8.240 nan 0.000 0.484 276 M N 3.206 122.765 119.600 -0.068 0.000 2.591 276 M HA 0.532 5.012 4.480 -0.000 0.000 0.306 276 M C -0.612 175.690 176.300 0.002 0.000 1.190 276 M CA -0.832 54.473 55.300 0.008 0.000 0.889 276 M CB 2.350 34.946 32.600 -0.006 0.000 1.728 276 M HN 0.629 nan 8.290 nan 0.000 0.458 277 M N 1.855 121.469 119.600 0.023 0.000 2.321 277 M HA 0.478 4.958 4.480 -0.000 0.000 0.315 277 M C -1.387 174.930 176.300 0.028 0.000 1.052 277 M CA -0.114 55.212 55.300 0.042 0.000 0.936 277 M CB 2.116 34.727 32.600 0.018 0.000 1.639 277 M HN 0.615 nan 8.290 nan 0.000 0.433 278 E N 4.649 124.891 120.200 0.069 0.000 2.288 278 E HA 0.681 5.031 4.350 -0.000 0.000 0.268 278 E C -1.720 174.920 176.600 0.066 0.000 0.885 278 E CA -0.960 55.451 56.400 0.019 0.000 0.767 278 E CB 2.871 32.638 29.700 0.112 0.000 1.220 278 E HN 0.712 nan 8.360 nan 0.000 0.427 279 L N -0.849 120.285 121.223 -0.148 0.000 2.445 279 L HA 0.643 4.983 4.340 -0.000 0.000 0.262 279 L C -1.629 175.071 176.870 -0.283 0.000 0.974 279 L CA -0.821 54.009 54.840 -0.017 0.000 0.822 279 L CB 1.182 43.138 42.059 -0.172 0.000 1.339 279 L HN 0.392 nan 8.230 nan 0.000 0.409 280 Y N 3.037 123.486 120.300 0.249 0.000 2.386 280 Y HA 0.764 5.314 4.550 -0.000 0.000 0.334 280 Y C -0.247 175.804 175.900 0.251 0.000 1.002 280 Y CA -0.812 57.395 58.100 0.179 0.000 1.068 280 Y CB 2.370 40.896 38.460 0.110 0.000 1.203 280 Y HN 0.785 nan 8.280 nan 0.000 0.443 281 M N 1.779 121.547 119.600 0.281 0.000 2.253 281 M HA 0.955 5.435 4.480 -0.000 0.000 0.314 281 M C -0.906 175.443 176.300 0.081 0.000 1.019 281 M CA -0.980 54.417 55.300 0.161 0.000 0.932 281 M CB 1.953 34.655 32.600 0.170 0.000 1.606 281 M HN 0.610 nan 8.290 nan 0.000 0.430 282 A N 2.501 125.330 122.820 0.014 0.000 2.386 282 A HA 0.546 4.866 4.320 -0.000 0.000 0.248 282 A C -0.563 176.960 177.584 -0.102 0.000 1.082 282 A CA -0.190 51.735 52.037 -0.187 0.000 0.789 282 A CB -0.326 18.474 19.000 -0.334 0.000 1.025 282 A HN 1.015 nan 8.150 nan 0.000 0.490 283 Y N -2.332 117.995 120.300 0.046 0.000 3.018 283 Y HA -0.009 4.541 4.550 0.000 0.000 0.181 283 Y C 0.457 176.378 175.900 0.035 0.000 1.542 283 Y CA 1.045 59.165 58.100 0.033 0.000 0.975 283 Y CB -2.104 36.365 38.460 0.016 0.000 1.379 283 Y HN 1.608 nan 8.280 nan 0.000 0.423 284 A N 0.056 122.932 122.820 0.093 0.000 2.605 284 A HA 0.680 5.000 4.320 -0.000 0.000 0.294 284 A C -0.813 176.816 177.584 0.074 0.000 1.062 284 A CA -0.456 51.632 52.037 0.085 0.000 0.682 284 A CB 1.365 20.417 19.000 0.086 0.000 1.278 284 A HN 0.292 nan 8.150 nan 0.000 0.410 285 D N -0.390 120.049 120.400 0.065 0.000 2.592 285 D HA 0.380 5.020 4.640 -0.000 0.000 0.259 285 D C 0.833 177.163 176.300 0.050 0.000 1.144 285 D CA -0.063 53.981 54.000 0.073 0.000 1.080 285 D CB -0.047 40.783 40.800 0.050 0.000 1.225 285 D HN 0.716 nan 8.370 nan 0.000 0.619 286 Y N -1.139 119.150 120.300 -0.019 0.000 2.333 286 Y HA -0.045 4.505 4.550 0.000 0.000 0.290 286 Y C 1.940 177.822 175.900 -0.030 0.000 1.144 286 Y CA 1.366 59.477 58.100 0.019 0.000 1.228 286 Y CB -1.131 37.370 38.460 0.069 0.000 0.985 286 Y HN 0.428 nan 8.280 nan 0.000 0.542 287 H N 0.530 119.214 119.070 -0.645 0.000 2.387 287 H HA -0.140 4.416 4.556 0.000 0.000 0.299 287 H C 1.536 176.708 175.328 -0.259 0.000 1.090 287 H CA 1.556 57.284 56.048 -0.533 0.000 1.332 287 H CB -0.029 29.422 29.762 -0.518 0.000 1.386 287 H HN 0.434 nan 8.280 nan 0.000 0.516 288 D N 0.385 120.760 120.400 -0.041 0.000 2.178 288 D HA -0.110 4.530 4.640 -0.000 0.000 0.202 288 D C 2.094 178.393 176.300 -0.002 0.000 0.974 288 D CA 0.709 54.705 54.000 -0.008 0.000 0.841 288 D CB -0.011 40.808 40.800 0.031 0.000 0.953 288 D HN 0.391 nan 8.370 nan 0.000 0.478 289 L N 0.545 121.789 121.223 0.035 0.000 2.093 289 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 289 L C 2.558 179.404 176.870 -0.039 0.000 1.085 289 L CA 0.488 55.379 54.840 0.086 0.000 0.755 289 L CB -0.234 41.974 42.059 0.247 0.000 0.904 289 L HN -0.015 nan 8.230 nan 0.000 0.435 290 I N -0.164 120.242 120.570 -0.273 0.000 2.163 290 I HA -0.298 3.872 4.170 -0.000 0.000 0.243 290 I C 2.517 178.404 176.117 -0.383 0.000 1.085 290 I CA 1.425 62.299 61.300 -0.710 0.000 1.347 290 I CB -0.245 37.164 38.000 -0.986 0.000 1.044 290 I HN 0.314 nan 8.210 nan 0.000 0.408 291 E N 0.646 120.710 120.200 -0.226 0.000 2.077 291 E HA -0.257 4.093 4.350 -0.000 0.000 0.193 291 E C 2.262 178.819 176.600 -0.071 0.000 0.989 291 E CA 1.160 57.477 56.400 -0.139 0.000 0.800 291 E CB -0.105 29.546 29.700 -0.082 0.000 0.746 291 E HN 0.400 nan 8.360 nan 0.000 0.452 292 L N 0.789 122.000 121.223 -0.020 0.000 2.046 292 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 292 L C 2.321 179.208 176.870 0.027 0.000 1.077 292 L CA 1.538 56.417 54.840 0.066 0.000 0.747 292 L CB -0.316 41.791 42.059 0.081 0.000 0.896 292 L HN 0.104 nan 8.230 nan 0.000 0.432 293 T N -0.550 113.987 114.554 -0.029 0.000 2.708 293 T HA -0.198 4.152 4.350 -0.000 0.000 0.266 293 T C 1.656 176.318 174.700 -0.063 0.000 1.037 293 T CA 1.763 63.851 62.100 -0.020 0.000 1.146 293 T CB -0.266 68.558 68.868 -0.075 0.000 0.865 293 T HN 0.475 nan 8.240 nan 0.000 0.435 294 E N 1.078 121.123 120.200 -0.258 0.000 2.051 294 E HA -0.097 4.253 4.350 -0.000 0.000 0.192 294 E C 2.615 179.148 176.600 -0.111 0.000 0.991 294 E CA 1.360 57.493 56.400 -0.444 0.000 0.799 294 E CB -0.166 29.209 29.700 -0.541 0.000 0.748 294 E HN 0.367 nan 8.360 nan 0.000 0.449 295 S N 1.301 116.985 115.700 -0.026 0.000 2.382 295 S HA -0.119 4.351 4.470 -0.000 0.000 0.228 295 S C 1.962 176.551 174.600 -0.018 0.000 1.027 295 S CA 0.558 58.807 58.200 0.081 0.000 0.991 295 S CB -0.198 63.133 63.200 0.218 0.000 0.823 295 S HN 0.233 nan 8.310 nan 0.000 0.469 296 L N -0.004 121.077 121.223 -0.237 0.000 1.989 296 L HA -0.145 4.195 4.340 -0.000 0.000 0.211 296 L C 2.098 178.703 176.870 -0.440 0.000 1.071 296 L CA 1.837 56.223 54.840 -0.757 0.000 0.749 296 L CB -0.372 41.286 42.059 -0.668 0.000 0.890 296 L HN 0.267 nan 8.230 nan 0.000 0.431 297 F N -0.082 119.717 119.950 -0.252 0.000 2.113 297 F HA -0.192 4.335 4.527 -0.000 0.000 0.297 297 F C 2.845 178.621 175.800 -0.040 0.000 1.103 297 F CA 1.572 59.453 58.000 -0.199 0.000 1.248 297 F CB -0.625 38.172 39.000 -0.337 0.000 0.999 297 F HN 0.040 nan 8.300 nan 0.000 0.475 298 R N 0.093 120.738 120.500 0.243 0.000 2.094 298 R HA -0.190 4.150 4.340 -0.000 0.000 0.239 298 R C 2.068 178.473 176.300 0.174 0.000 1.137 298 R CA 2.359 58.617 56.100 0.262 0.000 0.943 298 R CB -0.755 29.668 30.300 0.205 0.000 0.850 298 R HN 0.222 nan 8.270 nan 0.000 0.433 299 T N 1.792 116.397 114.554 0.084 0.000 2.652 299 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 299 T C 1.877 176.590 174.700 0.022 0.000 1.039 299 T CA 1.622 63.760 62.100 0.062 0.000 1.153 299 T CB -0.228 68.684 68.868 0.074 0.000 0.863 299 T HN 0.189 nan 8.240 nan 0.000 0.428 300 L N 0.696 121.864 121.223 -0.092 0.000 2.042 300 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 300 L C 3.098 180.051 176.870 0.139 0.000 1.076 300 L CA 1.353 56.110 54.840 -0.139 0.000 0.749 300 L CB -0.804 40.958 42.059 -0.494 0.000 0.893 300 L HN 0.273 nan 8.230 nan 0.000 0.432 301 A N -0.327 122.721 122.820 0.380 0.000 1.858 301 A HA -0.306 4.014 4.320 -0.000 0.000 0.216 301 A C 2.197 179.944 177.584 0.271 0.000 1.190 301 A CA 2.017 54.345 52.037 0.485 0.000 0.617 301 A CB -0.620 18.675 19.000 0.491 0.000 0.827 301 A HN 0.400 nan 8.150 nan 0.000 0.443 302 Q N -0.117 119.805 119.800 0.204 0.000 2.030 302 Q HA -0.201 4.139 4.340 -0.000 0.000 0.204 302 Q C 1.989 178.056 176.000 0.111 0.000 0.986 302 Q CA 2.377 58.266 55.803 0.144 0.000 0.843 302 Q CB -0.285 28.528 28.738 0.125 0.000 0.904 302 Q HN 0.754 nan 8.270 nan 0.000 0.420 303 E N -1.097 119.157 120.200 0.090 0.000 2.028 303 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 303 E C 2.004 178.639 176.600 0.058 0.000 0.988 303 E CA 1.576 58.012 56.400 0.060 0.000 0.799 303 E CB 0.042 29.761 29.700 0.032 0.000 0.755 303 E HN 0.238 nan 8.360 nan 0.000 0.447 304 V N 1.166 121.118 119.914 0.063 0.000 2.488 304 V HA -0.143 3.977 4.120 -0.000 0.000 0.246 304 V C 2.129 178.291 176.094 0.114 0.000 1.046 304 V CA 1.171 63.510 62.300 0.065 0.000 1.053 304 V CB -0.184 31.650 31.823 0.017 0.000 0.679 304 V HN 0.215 nan 8.190 nan 0.000 0.458 305 L N -0.471 120.851 121.223 0.166 0.000 2.515 305 L HA 0.408 4.748 4.340 -0.000 0.000 0.223 305 L C 1.930 178.867 176.870 0.112 0.000 1.079 305 L CA 0.955 55.889 54.840 0.155 0.000 0.857 305 L CB -0.163 42.016 42.059 0.201 0.000 1.050 305 L HN 0.502 nan 8.230 nan 0.000 0.476 306 G N 0.772 109.638 108.800 0.110 0.000 2.217 306 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.246 306 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.246 306 G C 0.372 175.326 174.900 0.090 0.000 0.990 306 G CA 0.361 45.513 45.100 0.086 0.000 0.627 306 G HN 0.386 nan 8.290 nan 0.000 0.522 307 T N -1.967 112.652 114.554 0.108 0.000 2.906 307 T HA 0.626 4.976 4.350 -0.000 0.000 0.295 307 T C 0.997 175.787 174.700 0.148 0.000 1.075 307 T CA 0.551 62.713 62.100 0.104 0.000 1.005 307 T CB 1.653 70.566 68.868 0.073 0.000 1.136 307 T HN 0.787 nan 8.240 nan 0.000 0.498 308 T N -2.316 112.324 114.554 0.145 0.000 3.081 308 T HA 0.238 4.588 4.350 -0.000 0.000 0.250 308 T C 0.424 175.202 174.700 0.129 0.000 1.100 308 T CA -0.019 62.205 62.100 0.206 0.000 1.038 308 T CB -0.216 68.769 68.868 0.196 0.000 0.962 308 T HN 0.326 nan 8.240 nan 0.000 0.516 309 K N 1.763 122.196 120.400 0.055 0.000 2.262 309 K HA 0.561 4.881 4.320 -0.000 0.000 0.282 309 K C -1.301 175.272 176.600 -0.044 0.000 1.066 309 K CA -0.347 55.922 56.287 -0.030 0.000 0.901 309 K CB 1.460 33.947 32.500 -0.022 0.000 1.089 309 K HN 0.053 nan 8.250 nan 0.000 0.476 310 V N 3.049 122.886 119.914 -0.128 0.000 2.378 310 V HA 0.236 4.356 4.120 -0.000 0.000 0.288 310 V C -0.123 175.881 176.094 -0.151 0.000 1.016 310 V CA -0.882 61.363 62.300 -0.091 0.000 0.840 310 V CB 1.622 33.413 31.823 -0.052 0.000 0.994 310 V HN 0.758 nan 8.190 nan 0.000 0.431 311 T N 5.471 119.965 114.554 -0.101 0.000 2.729 311 T HA 0.408 4.758 4.350 -0.000 0.000 0.296 311 T C -1.045 173.620 174.700 -0.058 0.000 0.928 311 T CA -0.035 61.982 62.100 -0.138 0.000 1.045 311 T CB -0.161 68.647 68.868 -0.099 0.000 0.902 311 T HN 0.548 nan 8.240 nan 0.000 0.500 312 Y N 5.582 125.700 120.300 -0.302 0.000 2.338 312 Y HA 0.522 5.072 4.550 0.000 0.000 0.328 312 Y C 0.717 176.593 175.900 -0.040 0.000 0.965 312 Y CA 0.247 58.262 58.100 -0.141 0.000 1.208 312 Y CB 0.782 39.215 38.460 -0.044 0.000 1.132 312 Y HN 1.058 nan 8.280 nan 0.000 0.469 313 G N 3.556 112.147 108.800 -0.348 0.000 2.629 313 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.313 313 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.313 313 G C 0.434 175.175 174.900 -0.264 0.000 1.217 313 G CA 0.823 45.775 45.100 -0.246 0.000 0.994 313 G HN 1.264 nan 8.290 nan 0.000 0.549 314 E N 0.623 120.603 120.200 -0.368 0.000 2.349 314 E HA 0.520 4.870 4.350 -0.000 0.000 0.201 314 E C 0.417 176.616 176.600 -0.668 0.000 1.087 314 E CA 0.969 57.089 56.400 -0.466 0.000 1.128 314 E CB -0.324 29.089 29.700 -0.479 0.000 1.188 314 E HN 0.928 nan 8.360 nan 0.000 0.445 315 H N -2.745 116.170 119.070 -0.259 0.000 2.980 315 H HA 0.697 5.253 4.556 -0.000 0.000 0.367 315 H C -1.191 173.813 175.328 -0.539 0.000 1.206 315 H CA -1.028 54.789 56.048 -0.385 0.000 1.126 315 H CB 2.718 32.185 29.762 -0.492 0.000 1.838 315 H HN 0.091 nan 8.280 nan 0.000 0.552 316 V N 3.034 122.726 119.914 -0.370 0.000 2.447 316 V HA 0.254 4.374 4.120 -0.000 0.000 0.292 316 V C -1.141 174.732 176.094 -0.370 0.000 1.021 316 V CA -0.658 61.414 62.300 -0.380 0.000 0.850 316 V CB 0.408 32.119 31.823 -0.187 0.000 1.005 316 V HN 0.471 nan 8.190 nan 0.000 0.426 317 F N 2.223 122.014 119.950 -0.265 0.000 2.379 317 F HA 0.574 5.101 4.527 -0.000 0.000 0.332 317 F C 0.431 175.900 175.800 -0.551 0.000 1.096 317 F CA -1.253 56.455 58.000 -0.487 0.000 1.105 317 F CB 0.969 39.481 39.000 -0.814 0.000 1.189 317 F HN 0.379 nan 8.300 nan 0.000 0.515 318 D N 1.661 121.909 120.400 -0.252 0.000 2.453 318 D HA 0.261 4.901 4.640 -0.000 0.000 0.238 318 D C 0.023 176.287 176.300 -0.059 0.000 1.088 318 D CA -0.352 53.552 54.000 -0.159 0.000 0.854 318 D CB 0.364 41.152 40.800 -0.020 0.000 1.076 318 D HN 0.212 nan 8.370 nan 0.000 0.533 319 F N 1.318 121.383 119.950 0.192 0.000 2.780 319 F HA 0.231 4.758 4.527 -0.000 0.000 0.299 319 F C 2.355 178.345 175.800 0.318 0.000 1.146 319 F CA 0.075 58.275 58.000 0.334 0.000 1.428 319 F CB 0.144 39.348 39.000 0.341 0.000 1.115 319 F HN 0.498 nan 8.300 nan 0.000 0.583 320 G N 0.114 109.124 108.800 0.350 0.000 3.383 320 G HA2 0.074 4.034 3.960 -0.000 0.000 0.251 320 G HA3 0.074 4.034 3.960 -0.000 0.000 0.251 320 G C 0.305 175.324 174.900 0.199 0.000 1.203 320 G CA -0.136 45.109 45.100 0.242 0.000 0.852 320 G HN 0.179 nan 8.290 nan 0.000 0.531 321 K N 1.001 121.556 120.400 0.258 0.000 2.443 321 K HA 0.417 4.737 4.320 -0.000 0.000 0.252 321 K C -2.744 174.036 176.600 0.301 0.000 0.933 321 K CA -2.147 54.267 56.287 0.213 0.000 0.792 321 K CB 2.735 35.336 32.500 0.169 0.000 1.185 321 K HN -0.158 nan 8.250 nan 0.000 0.425 322 P HA -0.049 nan 4.420 nan 0.000 0.264 322 P C -0.520 177.015 177.300 0.392 0.000 1.183 322 P CA 0.069 63.274 63.100 0.175 0.000 0.763 322 P CB 0.182 31.941 31.700 0.099 0.000 0.807 323 F N 0.688 120.716 119.950 0.130 0.000 2.440 323 F HA 0.186 4.713 4.527 0.000 0.000 0.323 323 F C 1.569 177.459 175.800 0.151 0.000 1.192 323 F CA -0.605 57.458 58.000 0.106 0.000 1.252 323 F CB -0.548 38.449 39.000 -0.005 0.000 1.214 323 F HN 0.291 nan 8.300 nan 0.000 0.578 324 E N 0.616 121.005 120.200 0.315 0.000 2.354 324 E HA 0.183 4.533 4.350 -0.000 0.000 0.269 324 E C -0.805 175.992 176.600 0.328 0.000 1.036 324 E CA -0.299 56.250 56.400 0.249 0.000 0.876 324 E CB 1.133 30.935 29.700 0.170 0.000 1.009 324 E HN 0.296 nan 8.360 nan 0.000 0.416 325 K N 2.468 123.035 120.400 0.279 0.000 2.413 325 K HA 0.523 4.843 4.320 -0.000 0.000 0.257 325 K C -0.756 175.977 176.600 0.222 0.000 0.946 325 K CA -0.242 56.221 56.287 0.293 0.000 0.823 325 K CB 1.326 33.960 32.500 0.224 0.000 1.109 325 K HN 0.260 nan 8.250 nan 0.000 0.427 326 L N 1.620 122.987 121.223 0.240 0.000 2.422 326 L HA 0.530 4.870 4.340 -0.000 0.000 0.264 326 L C 0.104 177.079 176.870 0.175 0.000 0.984 326 L CA -1.096 53.855 54.840 0.185 0.000 0.819 326 L CB 2.448 44.623 42.059 0.194 0.000 1.330 326 L HN 0.738 nan 8.230 nan 0.000 0.410 327 T N -1.750 112.876 114.554 0.120 0.000 2.828 327 T HA 0.171 4.521 4.350 -0.000 0.000 0.290 327 T C 1.075 175.793 174.700 0.030 0.000 1.019 327 T CA -0.433 61.712 62.100 0.075 0.000 1.031 327 T CB 1.153 70.051 68.868 0.050 0.000 1.001 327 T HN 0.753 nan 8.240 nan 0.000 0.531 328 M N 0.686 120.224 119.600 -0.104 0.000 2.108 328 M HA -0.128 4.352 4.480 -0.000 0.000 0.261 328 M C 2.587 178.881 176.300 -0.010 0.000 1.066 328 M CA 1.671 56.828 55.300 -0.237 0.000 1.107 328 M CB -0.207 32.059 32.600 -0.556 0.000 1.356 328 M HN 0.671 nan 8.290 nan 0.000 0.406 329 R N -0.080 120.409 120.500 -0.018 0.000 2.081 329 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 329 R C 1.988 178.318 176.300 0.050 0.000 1.131 329 R CA 1.911 58.025 56.100 0.023 0.000 0.960 329 R CB -0.427 29.875 30.300 0.004 0.000 0.856 329 R HN 0.583 nan 8.270 nan 0.000 0.436 330 E N 0.400 120.631 120.200 0.051 0.000 2.077 330 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 330 E C 2.034 178.672 176.600 0.063 0.000 0.989 330 E CA 1.179 57.606 56.400 0.046 0.000 0.800 330 E CB -0.101 29.630 29.700 0.052 0.000 0.746 330 E HN 0.357 nan 8.360 nan 0.000 0.452 331 A N 1.225 124.138 122.820 0.154 0.000 1.902 331 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 331 A C 2.174 179.912 177.584 0.256 0.000 1.181 331 A CA 1.045 53.246 52.037 0.274 0.000 0.623 331 A CB -0.544 18.743 19.000 0.479 0.000 0.818 331 A HN 0.130 nan 8.150 nan 0.000 0.443 332 I N -0.754 119.946 120.570 0.216 0.000 2.142 332 I HA -0.247 3.923 4.170 -0.000 0.000 0.240 332 I C 2.557 178.714 176.117 0.066 0.000 1.078 332 I CA 1.918 63.306 61.300 0.147 0.000 1.343 332 I CB -0.256 37.818 38.000 0.123 0.000 1.046 332 I HN 0.265 nan 8.210 nan 0.000 0.405 333 K N 1.696 122.113 120.400 0.028 0.000 2.097 333 K HA -0.224 4.096 4.320 -0.000 0.000 0.206 333 K C 2.028 178.579 176.600 -0.081 0.000 1.049 333 K CA 1.615 57.891 56.287 -0.018 0.000 0.933 333 K CB -0.240 32.249 32.500 -0.018 0.000 0.717 333 K HN 0.129 nan 8.250 nan 0.000 0.442 334 K N -1.104 119.207 120.400 -0.147 0.000 2.057 334 K HA -0.149 4.171 4.320 -0.000 0.000 0.207 334 K C 1.101 177.405 176.600 -0.494 0.000 1.049 334 K CA 1.493 57.561 56.287 -0.365 0.000 0.931 334 K CB -0.136 32.035 32.500 -0.549 0.000 0.714 334 K HN 0.197 nan 8.250 nan 0.000 0.440 335 Y N -0.398 119.842 120.300 -0.100 0.000 2.457 335 Y HA 0.235 4.785 4.550 -0.000 0.000 0.263 335 Y C 0.421 176.232 175.900 -0.148 0.000 1.164 335 Y CA 0.002 57.989 58.100 -0.187 0.000 1.274 335 Y CB 0.711 39.021 38.460 -0.250 0.000 1.097 335 Y HN -0.066 nan 8.280 nan 0.000 0.523 336 R N 1.133 121.630 120.500 -0.005 0.000 2.734 336 R HA 0.177 4.517 4.340 -0.000 0.000 0.242 336 R C -2.507 173.778 176.300 -0.025 0.000 1.617 336 R CA -1.125 54.969 56.100 -0.009 0.000 1.572 336 R CB 0.624 30.931 30.300 0.012 0.000 1.477 336 R HN -0.114 nan 8.270 nan 0.000 0.707 337 P HA -0.201 nan 4.420 nan 0.000 0.223 337 P C 0.514 177.797 177.300 -0.029 0.000 1.144 337 P CA 1.133 64.205 63.100 -0.047 0.000 0.783 337 P CB 0.313 31.977 31.700 -0.061 0.000 0.771 338 E N -0.265 119.922 120.200 -0.021 0.000 2.511 338 E HA -0.012 4.338 4.350 -0.000 0.000 0.196 338 E C -0.055 176.539 176.600 -0.010 0.000 1.066 338 E CA 0.328 56.719 56.400 -0.014 0.000 0.871 338 E CB -1.067 28.627 29.700 -0.011 0.000 0.863 338 E HN 0.071 nan 8.360 nan 0.000 0.520 339 T N 2.699 117.248 114.554 -0.008 0.000 2.853 339 T HA 0.032 4.382 4.350 -0.000 0.000 0.298 339 T C -0.366 174.332 174.700 -0.003 0.000 0.978 339 T CA -0.048 62.050 62.100 -0.003 0.000 1.152 339 T CB 0.801 69.670 68.868 0.003 0.000 0.914 339 T HN 0.061 nan 8.240 nan 0.000 0.539 340 D N 3.865 124.264 120.400 -0.002 0.000 2.365 340 D HA 0.117 4.757 4.640 -0.000 0.000 0.237 340 D C 1.196 177.497 176.300 0.002 0.000 1.190 340 D CA -0.611 53.389 54.000 -0.001 0.000 0.867 340 D CB 0.563 41.363 40.800 -0.001 0.000 1.050 340 D HN 0.219 nan 8.370 nan 0.000 0.491 341 M N 2.928 122.530 119.600 0.003 0.000 2.346 341 M HA -0.116 4.364 4.480 -0.000 0.000 0.263 341 M C 1.879 178.183 176.300 0.007 0.000 1.064 341 M CA 0.679 55.983 55.300 0.005 0.000 1.083 341 M CB -1.356 31.247 32.600 0.005 0.000 1.399 341 M HN 0.521 nan 8.290 nan 0.000 0.435 342 A N 0.248 123.072 122.820 0.006 0.000 1.972 342 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 342 A C 1.828 179.417 177.584 0.009 0.000 1.169 342 A CA 1.716 53.758 52.037 0.008 0.000 0.635 342 A CB -0.612 18.393 19.000 0.008 0.000 0.810 342 A HN 0.367 nan 8.150 nan 0.000 0.446 343 D N 0.012 120.415 120.400 0.005 0.000 2.263 343 D HA -0.087 4.553 4.640 -0.000 0.000 0.208 343 D C 1.496 177.797 176.300 0.002 0.000 0.971 343 D CA 0.805 54.806 54.000 0.001 0.000 0.867 343 D CB -0.205 40.592 40.800 -0.004 0.000 0.929 343 D HN 0.493 nan 8.370 nan 0.000 0.492 344 L N 0.238 121.466 121.223 0.007 0.000 2.591 344 L HA 0.039 4.379 4.340 -0.000 0.000 0.228 344 L C 0.880 177.761 176.870 0.019 0.000 1.133 344 L CA 0.402 55.248 54.840 0.010 0.000 0.880 344 L CB 0.174 42.238 42.059 0.009 0.000 1.033 344 L HN -0.181 nan 8.230 nan 0.000 0.450 345 D N -0.237 120.177 120.400 0.023 0.000 2.398 345 D HA 0.075 4.715 4.640 -0.000 0.000 0.210 345 D C 0.179 176.508 176.300 0.049 0.000 1.094 345 D CA 0.314 54.333 54.000 0.032 0.000 0.839 345 D CB 0.535 41.350 40.800 0.024 0.000 0.963 345 D HN 0.155 nan 8.370 nan 0.000 0.506 346 N N 0.354 119.087 118.700 0.054 0.000 2.371 346 N HA -0.012 4.728 4.740 -0.000 0.000 0.291 346 N C 0.166 175.736 175.510 0.100 0.000 1.053 346 N CA -0.516 52.583 53.050 0.082 0.000 0.870 346 N CB 1.387 39.908 38.487 0.057 0.000 1.503 346 N HN -0.238 nan 8.380 nan 0.000 0.485 347 F N 3.955 123.922 119.950 0.029 0.000 2.065 347 F HA -0.197 4.330 4.527 -0.000 0.000 0.298 347 F C 1.228 177.053 175.800 0.042 0.000 1.112 347 F CA 2.087 60.110 58.000 0.039 0.000 1.212 347 F CB 0.032 39.056 39.000 0.040 0.000 0.975 347 F HN 0.624 nan 8.300 nan 0.000 0.476 348 D N 0.194 120.601 120.400 0.012 0.000 2.117 348 D HA -0.148 4.492 4.640 -0.000 0.000 0.197 348 D C 2.345 178.572 176.300 -0.120 0.000 0.987 348 D CA 1.530 55.483 54.000 -0.078 0.000 0.829 348 D CB -0.446 40.388 40.800 0.058 0.000 0.961 348 D HN 0.393 nan 8.370 nan 0.000 0.460 349 A N 0.938 123.721 122.820 -0.061 0.000 1.873 349 A HA 0.013 4.333 4.320 -0.000 0.000 0.215 349 A C 2.279 179.817 177.584 -0.075 0.000 1.186 349 A CA 1.880 53.888 52.037 -0.048 0.000 0.616 349 A CB -1.002 17.989 19.000 -0.014 0.000 0.823 349 A HN 0.236 nan 8.150 nan 0.000 0.442 350 A N -0.225 122.538 122.820 -0.095 0.000 1.902 350 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 350 A C 2.131 179.635 177.584 -0.135 0.000 1.181 350 A CA 2.066 54.049 52.037 -0.089 0.000 0.623 350 A CB -0.487 18.473 19.000 -0.068 0.000 0.818 350 A HN 0.577 nan 8.150 nan 0.000 0.443 351 K N -0.280 119.949 120.400 -0.284 0.000 1.991 351 K HA -0.142 4.178 4.320 -0.000 0.000 0.212 351 K C 2.220 178.739 176.600 -0.135 0.000 1.049 351 K CA 1.474 57.588 56.287 -0.288 0.000 0.932 351 K CB -0.430 31.750 32.500 -0.533 0.000 0.717 351 K HN 0.331 nan 8.250 nan 0.000 0.441 352 A N 1.811 124.559 122.820 -0.120 0.000 1.917 352 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 352 A C 2.216 179.777 177.584 -0.039 0.000 1.182 352 A CA 1.671 53.670 52.037 -0.063 0.000 0.633 352 A CB -0.827 18.143 19.000 -0.049 0.000 0.819 352 A HN 0.497 nan 8.150 nan 0.000 0.448 353 L N -0.789 120.411 121.223 -0.039 0.000 2.012 353 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 353 L C 2.940 179.807 176.870 -0.005 0.000 1.073 353 L CA 1.689 56.518 54.840 -0.018 0.000 0.748 353 L CB -0.528 41.521 42.059 -0.016 0.000 0.891 353 L HN 0.447 nan 8.230 nan 0.000 0.431 354 A N -0.273 122.545 122.820 -0.002 0.000 1.908 354 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 354 A C 2.006 179.610 177.584 0.033 0.000 1.181 354 A CA 1.946 54.003 52.037 0.034 0.000 0.627 354 A CB -0.555 18.487 19.000 0.070 0.000 0.818 354 A HN 0.625 nan 8.150 nan 0.000 0.445 355 E N 0.037 120.242 120.200 0.009 0.000 2.106 355 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 355 E C 2.228 178.831 176.600 0.004 0.000 0.984 355 E CA 1.203 57.605 56.400 0.004 0.000 0.806 355 E CB -0.255 29.436 29.700 -0.014 0.000 0.750 355 E HN 0.598 nan 8.360 nan 0.000 0.458 356 S N 1.263 116.963 115.700 0.000 0.000 2.400 356 S HA -0.108 4.362 4.470 -0.000 0.000 0.232 356 S C 2.004 176.608 174.600 0.006 0.000 1.025 356 S CA 0.827 59.027 58.200 0.001 0.000 0.993 356 S CB -0.161 63.038 63.200 -0.002 0.000 0.808 356 S HN 0.237 nan 8.310 nan 0.000 0.478 357 I N 0.588 121.165 120.570 0.012 0.000 2.928 357 I HA 0.057 4.227 4.170 -0.000 0.000 0.266 357 I C 1.698 177.826 176.117 0.019 0.000 1.234 357 I CA 0.634 61.943 61.300 0.016 0.000 1.483 357 I CB -0.365 37.647 38.000 0.020 0.000 1.097 357 I HN 0.483 nan 8.210 nan 0.000 0.455 358 G N 1.747 110.560 108.800 0.021 0.000 2.135 358 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.183 358 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.183 358 G C 0.069 174.990 174.900 0.036 0.000 1.004 358 G CA -0.607 44.505 45.100 0.021 0.000 0.677 358 G HN 0.264 nan 8.290 nan 0.000 0.512 359 I N 2.319 122.922 120.570 0.054 0.000 2.312 359 I HA 0.258 4.428 4.170 -0.000 0.000 0.291 359 I C 0.547 176.705 176.117 0.067 0.000 1.031 359 I CA -0.334 61.026 61.300 0.100 0.000 1.293 359 I CB 1.286 39.380 38.000 0.156 0.000 1.403 359 I HN 0.034 nan 8.210 nan 0.000 0.484 360 T N 6.214 120.787 114.554 0.031 0.000 2.738 360 T HA 0.172 4.522 4.350 -0.000 0.000 0.294 360 T C 0.201 174.758 174.700 -0.238 0.000 0.914 360 T CA -0.411 61.646 62.100 -0.072 0.000 1.052 360 T CB 0.368 69.188 68.868 -0.079 0.000 0.897 360 T HN 0.191 nan 8.240 nan 0.000 0.522 361 V N 4.498 124.268 119.914 -0.241 0.000 2.405 361 V HA 0.144 4.264 4.120 -0.000 0.000 0.264 361 V C 0.797 176.498 176.094 -0.655 0.000 1.048 361 V CA -0.458 61.572 62.300 -0.449 0.000 0.966 361 V CB 0.344 32.116 31.823 -0.085 0.000 1.015 361 V HN 0.758 nan 8.190 nan 0.000 0.477 362 E N 3.876 123.266 120.200 -1.350 0.000 2.392 362 E HA 0.383 4.733 4.350 -0.000 0.000 0.256 362 E C 1.366 177.672 176.600 -0.490 0.000 1.145 362 E CA 0.581 56.438 56.400 -0.906 0.000 0.929 362 E CB 0.628 29.672 29.700 -1.094 0.000 0.998 362 E HN 0.625 nan 8.360 nan 0.000 0.442 363 K N 0.271 120.527 120.400 -0.240 0.000 2.228 363 K HA -0.072 4.248 4.320 -0.000 0.000 0.202 363 K C 1.827 178.435 176.600 0.013 0.000 1.051 363 K CA 1.551 57.796 56.287 -0.069 0.000 0.960 363 K CB -0.784 31.688 32.500 -0.048 0.000 0.743 363 K HN 0.494 nan 8.250 nan 0.000 0.458 364 S N -1.066 114.651 115.700 0.028 0.000 2.527 364 S HA 0.035 4.505 4.470 -0.000 0.000 0.222 364 S C 0.429 175.224 174.600 0.325 0.000 0.985 364 S CA -0.553 57.737 58.200 0.151 0.000 0.921 364 S CB -0.459 62.834 63.200 0.156 0.000 0.772 364 S HN 0.537 nan 8.310 nan 0.000 0.529 365 W N 2.321 123.674 121.300 0.087 0.000 2.190 365 W HA 0.695 5.355 4.660 0.000 0.000 0.330 365 W C 0.943 177.569 176.519 0.179 0.000 1.299 365 W CA -0.935 56.482 57.345 0.121 0.000 1.215 365 W CB -0.041 29.499 29.460 0.133 0.000 1.147 365 W HN 0.220 nan 8.180 nan 0.000 0.563 366 G N 1.037 110.052 108.800 0.358 0.000 3.016 366 G HA2 0.390 4.350 3.960 -0.000 0.000 0.270 366 G HA3 0.390 4.350 3.960 -0.000 0.000 0.270 366 G C 0.020 175.128 174.900 0.347 0.000 1.352 366 G CA -0.783 44.494 45.100 0.295 0.000 1.060 366 G HN 0.460 nan 8.290 nan 0.000 0.538 367 L N 0.636 122.059 121.223 0.333 0.000 2.012 367 L HA 0.043 4.383 4.340 -0.000 0.000 0.210 367 L C 2.771 179.702 176.870 0.100 0.000 1.073 367 L CA 3.083 58.074 54.840 0.251 0.000 0.748 367 L CB -0.902 41.283 42.059 0.211 0.000 0.891 367 L HN 0.603 nan 8.230 nan 0.000 0.431 368 G N -1.263 107.569 108.800 0.054 0.000 2.442 368 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.219 368 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.219 368 G C 1.757 176.618 174.900 -0.065 0.000 1.141 368 G CA 0.938 46.031 45.100 -0.012 0.000 0.763 368 G HN 0.373 nan 8.290 nan 0.000 0.554 369 R N 0.550 120.996 120.500 -0.091 0.000 2.062 369 R HA 0.154 4.494 4.340 -0.000 0.000 0.229 369 R C 2.506 178.611 176.300 -0.326 0.000 1.128 369 R CA 0.985 56.914 56.100 -0.285 0.000 0.960 369 R CB -0.711 29.317 30.300 -0.453 0.000 0.855 369 R HN 0.405 nan 8.270 nan 0.000 0.432 370 I N -0.090 120.413 120.570 -0.111 0.000 2.163 370 I HA -0.297 3.873 4.170 -0.000 0.000 0.243 370 I C 2.047 178.146 176.117 -0.030 0.000 1.085 370 I CA 1.341 62.640 61.300 -0.002 0.000 1.347 370 I CB -0.298 37.764 38.000 0.103 0.000 1.044 370 I HN 0.008 nan 8.210 nan 0.000 0.408 371 V N 0.567 120.466 119.914 -0.026 0.000 2.332 371 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 371 V C 2.490 178.575 176.094 -0.014 0.000 1.055 371 V CA 2.570 64.860 62.300 -0.016 0.000 1.038 371 V CB -0.982 30.826 31.823 -0.026 0.000 0.651 371 V HN 0.495 nan 8.190 nan 0.000 0.450 372 T N -0.709 113.805 114.554 -0.068 0.000 2.746 372 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 372 T C 1.866 176.597 174.700 0.052 0.000 1.039 372 T CA 1.294 63.372 62.100 -0.037 0.000 1.142 372 T CB -0.233 68.582 68.868 -0.089 0.000 0.866 372 T HN 0.460 nan 8.240 nan 0.000 0.444 373 E N 0.907 121.066 120.200 -0.069 0.000 2.077 373 E HA -0.017 4.333 4.350 -0.000 0.000 0.193 373 E C 2.269 178.890 176.600 0.035 0.000 0.989 373 E CA 0.711 57.085 56.400 -0.043 0.000 0.800 373 E CB -0.376 29.238 29.700 -0.144 0.000 0.746 373 E HN 0.513 nan 8.360 nan 0.000 0.452 374 I N 0.634 121.229 120.570 0.043 0.000 2.179 374 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 374 I C 2.397 178.543 176.117 0.048 0.000 1.088 374 I CA 1.042 62.370 61.300 0.047 0.000 1.357 374 I CB -0.311 37.716 38.000 0.046 0.000 1.051 374 I HN 0.014 nan 8.210 nan 0.000 0.409 375 F N 2.147 122.072 119.950 -0.042 0.000 2.095 375 F HA -0.310 4.217 4.527 0.000 0.000 0.298 375 F C 2.175 177.951 175.800 -0.040 0.000 1.104 375 F CA 1.957 59.929 58.000 -0.046 0.000 1.232 375 F CB -0.424 38.525 39.000 -0.084 0.000 0.987 375 F HN 0.097 nan 8.300 nan 0.000 0.475 376 D N 0.227 120.565 120.400 -0.103 0.000 2.144 376 D HA -0.158 4.482 4.640 -0.000 0.000 0.199 376 D C 2.206 178.378 176.300 -0.213 0.000 0.984 376 D CA 1.228 55.120 54.000 -0.179 0.000 0.834 376 D CB -0.284 40.549 40.800 0.055 0.000 0.955 376 D HN 0.440 nan 8.370 nan 0.000 0.465 377 E N 0.360 120.487 120.200 -0.122 0.000 2.016 377 E HA -0.073 4.277 4.350 -0.000 0.000 0.190 377 E C 2.448 178.976 176.600 -0.120 0.000 0.985 377 E CA 0.359 56.708 56.400 -0.086 0.000 0.802 377 E CB -0.224 29.463 29.700 -0.022 0.000 0.762 377 E HN 0.105 nan 8.360 nan 0.000 0.448 378 V N 1.144 120.984 119.914 -0.123 0.000 2.229 378 V HA -0.192 3.928 4.120 -0.000 0.000 0.243 378 V C 2.297 178.316 176.094 -0.124 0.000 1.042 378 V CA 2.159 64.412 62.300 -0.078 0.000 1.000 378 V CB -0.663 31.141 31.823 -0.031 0.000 0.637 378 V HN 0.279 nan 8.190 nan 0.000 0.446 379 A N -1.239 121.366 122.820 -0.358 0.000 2.063 379 A HA -0.016 4.304 4.320 -0.000 0.000 0.211 379 A C 2.161 179.316 177.584 -0.715 0.000 1.177 379 A CA 0.930 52.666 52.037 -0.502 0.000 0.759 379 A CB -0.293 18.494 19.000 -0.356 0.000 0.857 379 A HN 0.559 nan 8.150 nan 0.000 0.468 380 E N 0.496 120.198 120.200 -0.831 0.000 2.049 380 E HA -0.218 4.132 4.350 -0.000 0.000 0.198 380 E C 1.981 178.262 176.600 -0.531 0.000 1.007 380 E CA 1.400 57.359 56.400 -0.735 0.000 0.809 380 E CB -0.225 29.186 29.700 -0.483 0.000 0.749 380 E HN 0.528 nan 8.360 nan 0.000 0.450 381 A N 0.162 122.702 122.820 -0.466 0.000 2.121 381 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 381 A C 1.563 178.804 177.584 -0.572 0.000 1.154 381 A CA 1.025 52.790 52.037 -0.453 0.000 0.679 381 A CB -0.512 18.224 19.000 -0.440 0.000 0.795 381 A HN 0.380 nan 8.150 nan 0.000 0.458 382 H N -0.673 118.102 119.070 -0.491 0.000 2.551 382 H HA 0.173 4.729 4.556 -0.000 0.000 0.266 382 H C 0.124 175.189 175.328 -0.437 0.000 0.964 382 H CA 0.234 55.963 56.048 -0.533 0.000 1.180 382 H CB -0.010 29.141 29.762 -1.018 0.000 1.408 382 H HN 0.351 nan 8.280 nan 0.000 0.563 383 L N 2.357 123.363 121.223 -0.361 0.000 2.382 383 L HA 0.004 4.344 4.340 -0.000 0.000 0.259 383 L C 1.011 177.769 176.870 -0.186 0.000 1.291 383 L CA -0.250 54.443 54.840 -0.244 0.000 1.176 383 L CB 0.045 41.886 42.059 -0.364 0.000 1.373 383 L HN 0.122 nan 8.230 nan 0.000 0.426 384 I N -0.492 119.987 120.570 -0.151 0.000 2.270 384 I HA -0.019 4.151 4.170 -0.000 0.000 0.239 384 I C 1.588 177.598 176.117 -0.179 0.000 1.080 384 I CA 0.760 61.958 61.300 -0.169 0.000 1.383 384 I CB -0.349 37.522 38.000 -0.215 0.000 1.097 384 I HN 0.511 nan 8.210 nan 0.000 0.420 385 Q N 1.757 121.488 119.800 -0.115 0.000 2.392 385 Q HA 0.150 4.490 4.340 -0.000 0.000 0.262 385 Q C -2.098 173.715 176.000 -0.312 0.000 1.003 385 Q CA -1.747 53.966 55.803 -0.151 0.000 0.888 385 Q CB -0.169 28.541 28.738 -0.046 0.000 1.260 385 Q HN 0.067 nan 8.270 nan 0.000 0.435 386 P HA -0.072 nan 4.420 nan 0.000 0.253 386 P C -0.995 176.126 177.300 -0.298 0.000 1.159 386 P CA 0.968 63.672 63.100 -0.660 0.000 0.779 386 P CB 0.255 31.156 31.700 -1.332 0.000 0.745 387 T N 3.918 118.398 114.554 -0.123 0.000 2.893 387 T HA 0.547 4.897 4.350 -0.000 0.000 0.293 387 T C -0.710 174.126 174.700 0.228 0.000 1.027 387 T CA -0.263 61.898 62.100 0.101 0.000 0.988 387 T CB 0.742 69.700 68.868 0.149 0.000 1.043 387 T HN -0.059 nan 8.240 nan 0.000 0.461 388 F N 2.472 122.658 119.950 0.393 0.000 2.426 388 F HA 0.542 5.069 4.527 0.000 0.000 0.348 388 F C -0.040 175.973 175.800 0.356 0.000 1.124 388 F CA -1.311 56.894 58.000 0.342 0.000 1.008 388 F CB 1.024 40.058 39.000 0.057 0.000 1.139 388 F HN 0.235 nan 8.300 nan 0.000 0.452 389 I N 3.217 124.188 120.570 0.670 0.000 2.354 389 I HA 0.328 4.498 4.170 -0.000 0.000 0.292 389 I C 0.336 176.753 176.117 0.501 0.000 0.989 389 I CA -0.327 61.273 61.300 0.500 0.000 1.188 389 I CB 1.393 39.679 38.000 0.478 0.000 1.342 389 I HN 0.611 nan 8.210 nan 0.000 0.457 390 T N 1.667 116.409 114.554 0.314 0.000 2.927 390 T HA 0.553 4.903 4.350 -0.000 0.000 0.286 390 T C -0.340 174.439 174.700 0.132 0.000 1.040 390 T CA -0.662 61.595 62.100 0.261 0.000 1.010 390 T CB 1.856 70.839 68.868 0.192 0.000 1.177 390 T HN 0.602 nan 8.240 nan 0.000 0.546 391 E N 0.082 120.338 120.200 0.092 0.000 2.484 391 E HA -0.162 4.188 4.350 -0.000 0.000 0.181 391 E C -1.443 175.141 176.600 -0.025 0.000 1.458 391 E CA 0.079 56.489 56.400 0.018 0.000 0.667 391 E CB -1.654 28.042 29.700 -0.007 0.000 1.125 391 E HN 0.574 nan 8.360 nan 0.000 0.384 392 Y N 0.085 120.301 120.300 -0.140 0.000 2.304 392 Y HA 0.265 4.815 4.550 -0.000 0.000 0.328 392 Y C -1.781 174.039 175.900 -0.132 0.000 1.123 392 Y CA -2.241 55.772 58.100 -0.146 0.000 1.218 392 Y CB 0.566 38.931 38.460 -0.158 0.000 1.207 392 Y HN 0.120 nan 8.280 nan 0.000 0.495 393 P HA -0.010 nan 4.420 nan 0.000 0.267 393 P C -0.024 177.254 177.300 -0.036 0.000 1.200 393 P CA 0.478 63.549 63.100 -0.049 0.000 0.772 393 P CB 0.897 32.559 31.700 -0.064 0.000 0.855 394 A N 3.084 125.877 122.820 -0.046 0.000 1.892 394 A HA -0.275 4.045 4.320 -0.000 0.000 0.218 394 A C 2.123 179.671 177.584 -0.060 0.000 1.188 394 A CA 2.043 54.042 52.037 -0.064 0.000 0.631 394 A CB -1.435 17.533 19.000 -0.053 0.000 0.822 394 A HN 0.680 nan 8.150 nan 0.000 0.447 395 E N -0.061 120.116 120.200 -0.038 0.000 2.187 395 E HA -0.181 4.169 4.350 -0.000 0.000 0.199 395 E C 1.477 178.055 176.600 -0.037 0.000 1.004 395 E CA 1.900 58.283 56.400 -0.029 0.000 0.813 395 E CB -0.186 29.505 29.700 -0.015 0.000 0.736 395 E HN 0.624 nan 8.360 nan 0.000 0.468 396 V N -2.041 117.849 119.914 -0.040 0.000 3.514 396 V HA 0.270 4.390 4.120 -0.000 0.000 0.301 396 V C 0.208 176.272 176.094 -0.049 0.000 1.346 396 V CA 0.024 62.307 62.300 -0.029 0.000 1.156 396 V CB 0.824 32.645 31.823 -0.004 0.000 1.029 396 V HN 0.035 nan 8.190 nan 0.000 0.428 397 S N 1.314 116.951 115.700 -0.105 0.000 2.235 397 S HA 0.418 4.888 4.470 -0.000 0.000 0.152 397 S C -2.058 172.392 174.600 -0.250 0.000 1.649 397 S CA -0.517 57.545 58.200 -0.230 0.000 1.277 397 S CB 1.243 64.260 63.200 -0.305 0.000 1.299 397 S HN 0.354 nan 8.310 nan 0.000 0.388 398 P HA -0.005 nan 4.420 nan 0.000 0.221 398 P C 0.485 177.644 177.300 -0.235 0.000 1.145 398 P CA 0.977 63.979 63.100 -0.162 0.000 0.795 398 P CB 0.089 31.754 31.700 -0.058 0.000 0.775 399 L N -3.208 117.869 121.223 -0.244 0.000 2.959 399 L HA 0.389 4.729 4.340 -0.000 0.000 0.259 399 L C 0.651 177.384 176.870 -0.229 0.000 1.185 399 L CA -0.511 54.242 54.840 -0.146 0.000 0.998 399 L CB 0.285 42.397 42.059 0.087 0.000 1.337 399 L HN -0.187 nan 8.230 nan 0.000 0.555 400 A N 0.569 123.058 122.820 -0.551 0.000 2.337 400 A HA 0.592 4.912 4.320 -0.000 0.000 0.329 400 A C -0.113 177.319 177.584 -0.253 0.000 1.146 400 A CA -0.556 51.095 52.037 -0.644 0.000 0.800 400 A CB 0.910 19.160 19.000 -1.249 0.000 1.220 400 A HN 0.243 nan 8.150 nan 0.000 0.472 401 R N 1.353 121.800 120.500 -0.089 0.000 2.585 401 R HA 0.107 4.447 4.340 -0.000 0.000 0.275 401 R C -0.113 176.150 176.300 -0.061 0.000 1.018 401 R CA 0.177 56.256 56.100 -0.035 0.000 1.072 401 R CB 0.321 30.644 30.300 0.039 0.000 0.953 401 R HN 0.779 nan 8.270 nan 0.000 0.419 402 R N 2.700 123.173 120.500 -0.046 0.000 2.539 402 R HA 0.001 4.341 4.340 -0.000 0.000 0.275 402 R C 0.287 176.583 176.300 -0.008 0.000 1.077 402 R CA -0.392 55.685 56.100 -0.039 0.000 1.097 402 R CB 0.414 30.695 30.300 -0.032 0.000 1.018 402 R HN 0.638 nan 8.270 nan 0.000 0.483 403 N N 1.790 120.487 118.700 -0.004 0.000 2.513 403 N HA -0.084 4.656 4.740 -0.000 0.000 0.268 403 N C -0.101 175.427 175.510 0.029 0.000 1.180 403 N CA -0.094 52.972 53.050 0.027 0.000 0.948 403 N CB 0.895 39.397 38.487 0.025 0.000 1.083 403 N HN 0.450 nan 8.380 nan 0.000 0.455 404 D N 3.142 123.570 120.400 0.045 0.000 2.117 404 D HA -0.115 4.525 4.640 -0.000 0.000 0.197 404 D C 1.795 178.114 176.300 0.031 0.000 0.987 404 D CA 1.099 55.121 54.000 0.037 0.000 0.829 404 D CB 0.120 40.948 40.800 0.046 0.000 0.961 404 D HN 0.330 nan 8.370 nan 0.000 0.460 405 V N 0.435 120.372 119.914 0.038 0.000 2.323 405 V HA -0.103 4.017 4.120 -0.000 0.000 0.244 405 V C 0.964 177.072 176.094 0.024 0.000 1.041 405 V CA 0.992 63.311 62.300 0.032 0.000 1.025 405 V CB -0.258 31.589 31.823 0.039 0.000 0.656 405 V HN 0.115 nan 8.190 nan 0.000 0.451 406 N N 0.379 119.093 118.700 0.023 0.000 2.682 406 N HA 0.238 4.978 4.740 -0.000 0.000 0.252 406 N C -1.965 173.549 175.510 0.006 0.000 1.081 406 N CA -2.088 50.970 53.050 0.014 0.000 0.844 406 N CB 1.776 40.271 38.487 0.014 0.000 1.167 406 N HN 0.072 nan 8.380 nan 0.000 0.523 407 P HA -0.034 nan 4.420 nan 0.000 0.236 407 P C 0.694 177.985 177.300 -0.014 0.000 1.172 407 P CA 0.865 63.962 63.100 -0.006 0.000 0.759 407 P CB 0.201 31.898 31.700 -0.005 0.000 0.843 408 E N 0.717 120.911 120.200 -0.010 0.000 2.481 408 E HA 0.115 4.465 4.350 -0.000 0.000 0.195 408 E C 1.271 177.858 176.600 -0.022 0.000 1.047 408 E CA 0.285 56.678 56.400 -0.013 0.000 0.867 408 E CB -0.664 29.033 29.700 -0.004 0.000 0.858 408 E HN 0.581 nan 8.360 nan 0.000 0.513 409 I N -3.340 117.215 120.570 -0.024 0.000 2.892 409 I HA 0.781 4.951 4.170 -0.000 0.000 0.306 409 I C -0.071 176.019 176.117 -0.044 0.000 1.078 409 I CA -0.819 60.461 61.300 -0.033 0.000 1.032 409 I CB 2.746 40.730 38.000 -0.026 0.000 1.229 409 I HN -0.057 nan 8.210 nan 0.000 0.435 410 T N -1.270 113.246 114.554 -0.063 0.000 2.932 410 T HA 0.398 4.748 4.350 -0.000 0.000 0.289 410 T C -0.350 174.271 174.700 -0.132 0.000 1.039 410 T CA -0.715 61.321 62.100 -0.107 0.000 1.024 410 T CB 1.523 70.280 68.868 -0.184 0.000 1.090 410 T HN 0.552 nan 8.240 nan 0.000 0.496 411 D N 1.809 122.119 120.400 -0.151 0.000 2.688 411 D HA 0.211 4.851 4.640 -0.000 0.000 0.228 411 D C 0.181 176.233 176.300 -0.413 0.000 1.116 411 D CA 0.124 53.953 54.000 -0.284 0.000 1.023 411 D CB -0.071 40.706 40.800 -0.039 0.000 1.100 411 D HN 0.337 nan 8.370 nan 0.000 0.487 412 R N 1.565 121.846 120.500 -0.364 0.000 2.854 412 R HA 0.554 4.894 4.340 -0.000 0.000 0.271 412 R C -1.221 174.960 176.300 -0.197 0.000 0.996 412 R CA -0.668 55.255 56.100 -0.295 0.000 0.961 412 R CB 1.558 31.654 30.300 -0.340 0.000 1.182 412 R HN 0.089 nan 8.270 nan 0.000 0.479 413 F N -0.804 119.027 119.950 -0.199 0.000 2.613 413 F HA 0.596 5.123 4.527 -0.000 0.000 0.310 413 F C -1.158 174.601 175.800 -0.069 0.000 1.085 413 F CA -0.984 56.992 58.000 -0.040 0.000 0.945 413 F CB 1.434 40.469 39.000 0.058 0.000 1.298 413 F HN 0.415 nan 8.300 nan 0.000 0.455 414 E N 1.434 121.906 120.200 0.453 0.000 2.299 414 E HA 0.526 4.876 4.350 -0.000 0.000 0.265 414 E C -2.146 174.754 176.600 0.501 0.000 0.911 414 E CA -0.984 55.571 56.400 0.257 0.000 0.789 414 E CB 3.138 32.831 29.700 -0.011 0.000 1.246 414 E HN 0.573 nan 8.360 nan 0.000 0.427 415 F N 2.374 122.276 119.950 -0.079 0.000 2.518 415 F HA 0.520 5.047 4.527 0.000 0.000 0.323 415 F C -1.913 173.614 175.800 -0.455 0.000 1.129 415 F CA -1.183 56.747 58.000 -0.115 0.000 0.920 415 F CB 0.554 39.578 39.000 0.039 0.000 1.160 415 F HN 0.308 nan 8.300 nan 0.000 0.440 416 F N 6.460 126.148 119.950 -0.438 0.000 2.532 416 F HA 0.754 5.281 4.527 -0.000 0.000 0.321 416 F C -0.511 174.820 175.800 -0.782 0.000 1.089 416 F CA -0.933 56.760 58.000 -0.511 0.000 0.926 416 F CB 1.955 40.842 39.000 -0.190 0.000 1.168 416 F HN 0.233 nan 8.300 nan 0.000 0.459 417 I N 0.771 121.021 120.570 -0.533 0.000 2.752 417 I HA 0.467 4.637 4.170 -0.000 0.000 0.295 417 I C 0.421 176.285 176.117 -0.421 0.000 1.219 417 I CA -1.091 59.808 61.300 -0.668 0.000 1.030 417 I CB 2.167 39.626 38.000 -0.902 0.000 1.259 417 I HN 0.769 nan 8.210 nan 0.000 0.423 418 G N 3.532 112.118 108.800 -0.356 0.000 2.321 418 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.287 418 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.287 418 G C 1.016 175.891 174.900 -0.042 0.000 1.018 418 G CA 0.835 45.909 45.100 -0.043 0.000 0.855 418 G HN 1.802 nan 8.290 nan 0.000 0.507 419 G N -1.326 107.411 108.800 -0.104 0.000 2.168 419 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.263 419 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.263 419 G C 0.395 175.288 174.900 -0.012 0.000 0.977 419 G CA 1.455 46.494 45.100 -0.102 0.000 0.659 419 G HN 1.920 nan 8.290 nan 0.000 0.533 420 R N -0.335 120.180 120.500 0.026 0.000 2.750 420 R HA 0.704 5.044 4.340 -0.000 0.000 0.281 420 R C -0.375 175.962 176.300 0.062 0.000 0.972 420 R CA -0.996 55.140 56.100 0.061 0.000 0.912 420 R CB 1.650 31.940 30.300 -0.017 0.000 1.187 420 R HN 0.196 nan 8.270 nan 0.000 0.464 421 E N 3.276 123.493 120.200 0.028 0.000 2.265 421 E HA 0.024 4.374 4.350 -0.000 0.000 0.272 421 E C 0.259 176.693 176.600 -0.277 0.000 1.067 421 E CA -0.375 55.834 56.400 -0.318 0.000 0.900 421 E CB 0.608 30.171 29.700 -0.228 0.000 1.017 421 E HN 0.602 nan 8.360 nan 0.000 0.431 422 I N 3.395 123.729 120.570 -0.393 0.000 2.927 422 I HA 0.187 4.357 4.170 -0.000 0.000 0.268 422 I C 1.213 177.320 176.117 -0.017 0.000 1.153 422 I CA 0.704 61.868 61.300 -0.227 0.000 1.459 422 I CB -0.506 37.257 38.000 -0.396 0.000 1.149 422 I HN 0.502 nan 8.210 nan 0.000 0.443 423 G N 0.579 109.407 108.800 0.047 0.000 2.725 423 G HA2 0.511 4.471 3.960 -0.000 0.000 0.288 423 G HA3 0.511 4.471 3.960 -0.000 0.000 0.288 423 G C -1.587 173.359 174.900 0.077 0.000 1.399 423 G CA -0.314 44.902 45.100 0.192 0.000 0.859 423 G HN 0.144 nan 8.290 nan 0.000 0.479 424 N N -1.226 117.463 118.700 -0.019 0.000 2.554 424 N HA 0.608 5.348 4.740 -0.000 0.000 0.271 424 N C -0.510 174.741 175.510 -0.431 0.000 1.081 424 N CA 0.185 53.106 53.050 -0.214 0.000 0.994 424 N CB 1.704 40.104 38.487 -0.145 0.000 1.641 424 N HN 1.085 nan 8.380 nan 0.000 0.511 425 G N 0.894 109.179 108.800 -0.858 0.000 2.684 425 G HA2 0.785 4.745 3.960 -0.000 0.000 0.290 425 G HA3 0.785 4.745 3.960 -0.000 0.000 0.290 425 G C -1.733 172.668 174.900 -0.831 0.000 1.425 425 G CA -0.661 43.863 45.100 -0.961 0.000 0.822 425 G HN 0.684 nan 8.290 nan 0.000 0.482 426 F N -2.081 117.605 119.950 -0.439 0.000 2.842 426 F HA 0.702 5.229 4.527 -0.000 0.000 0.319 426 F C -0.389 175.368 175.800 -0.073 0.000 1.159 426 F CA -1.496 56.340 58.000 -0.273 0.000 0.902 426 F CB 0.762 39.586 39.000 -0.293 0.000 1.311 426 F HN 0.425 nan 8.300 nan 0.000 0.453 427 S N 1.880 117.767 115.700 0.312 0.000 2.488 427 S HA 0.200 4.670 4.470 -0.000 0.000 0.278 427 S C -0.335 174.465 174.600 0.333 0.000 1.259 427 S CA -0.604 57.749 58.200 0.254 0.000 1.061 427 S CB 0.078 63.415 63.200 0.227 0.000 0.910 427 S HN 0.401 nan 8.310 nan 0.000 0.491 428 E N 1.760 122.131 120.200 0.286 0.000 2.373 428 E HA 0.061 4.411 4.350 -0.000 0.000 0.267 428 E C -0.125 176.580 176.600 0.176 0.000 1.032 428 E CA -0.587 56.005 56.400 0.320 0.000 0.889 428 E CB 0.581 30.431 29.700 0.250 0.000 0.984 428 E HN 0.396 nan 8.360 nan 0.000 0.425 429 L N 4.224 125.531 121.223 0.141 0.000 2.385 429 L HA 0.052 4.392 4.340 -0.000 0.000 0.281 429 L C 0.417 177.305 176.870 0.030 0.000 1.106 429 L CA 0.024 54.887 54.840 0.038 0.000 0.856 429 L CB -0.223 41.820 42.059 -0.027 0.000 1.186 429 L HN 0.360 nan 8.230 nan 0.000 0.453 430 N N 1.653 120.355 118.700 0.003 0.000 2.338 430 N HA 0.107 4.847 4.740 -0.000 0.000 0.251 430 N C -0.677 174.805 175.510 -0.047 0.000 1.199 430 N CA -0.398 52.636 53.050 -0.027 0.000 0.879 430 N CB -0.040 38.435 38.487 -0.019 0.000 1.159 430 N HN 0.528 nan 8.380 nan 0.000 0.514 431 D N 0.496 120.865 120.400 -0.051 0.000 2.454 431 D HA 0.436 5.076 4.640 -0.000 0.000 0.225 431 D C 0.803 177.057 176.300 -0.078 0.000 1.081 431 D CA -0.533 53.434 54.000 -0.055 0.000 0.864 431 D CB 1.631 42.405 40.800 -0.043 0.000 1.040 431 D HN 0.181 nan 8.370 nan 0.000 0.517 432 A N 4.239 127.008 122.820 -0.084 0.000 1.933 432 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 432 A C 1.794 179.342 177.584 -0.061 0.000 1.175 432 A CA 1.245 53.225 52.037 -0.095 0.000 0.628 432 A CB -0.253 18.690 19.000 -0.096 0.000 0.814 432 A HN 0.683 nan 8.150 nan 0.000 0.444 433 E N -0.606 119.569 120.200 -0.042 0.000 2.072 433 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 433 E C 1.666 178.253 176.600 -0.021 0.000 0.985 433 E CA 1.069 57.459 56.400 -0.017 0.000 0.801 433 E CB -0.195 29.496 29.700 -0.014 0.000 0.750 433 E HN 0.611 nan 8.360 nan 0.000 0.452 434 D N 0.767 121.141 120.400 -0.044 0.000 2.117 434 D HA -0.184 4.456 4.640 -0.000 0.000 0.198 434 D C 2.037 178.276 176.300 -0.100 0.000 0.982 434 D CA 1.054 55.020 54.000 -0.057 0.000 0.828 434 D CB 0.014 40.778 40.800 -0.060 0.000 0.967 434 D HN -0.042 nan 8.370 nan 0.000 0.464 435 Q N 0.429 120.143 119.800 -0.143 0.000 2.061 435 Q HA -0.083 4.257 4.340 -0.000 0.000 0.204 435 Q C 1.956 177.780 176.000 -0.293 0.000 0.984 435 Q CA 2.342 57.975 55.803 -0.283 0.000 0.846 435 Q CB -0.768 27.813 28.738 -0.262 0.000 0.902 435 Q HN 0.256 nan 8.270 nan 0.000 0.421 436 A N 0.161 122.933 122.820 -0.079 0.000 1.883 436 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 436 A C 2.214 179.916 177.584 0.196 0.000 1.186 436 A CA 2.577 54.687 52.037 0.122 0.000 0.624 436 A CB -1.482 17.637 19.000 0.197 0.000 0.822 436 A HN 0.620 nan 8.150 nan 0.000 0.444 437 E N 0.218 120.472 120.200 0.089 0.000 2.085 437 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 437 E C 2.117 178.762 176.600 0.075 0.000 0.994 437 E CA 1.494 57.944 56.400 0.085 0.000 0.801 437 E CB -0.726 28.994 29.700 0.032 0.000 0.743 437 E HN 0.715 nan 8.360 nan 0.000 0.453 438 R N -1.340 119.152 120.500 -0.013 0.000 2.120 438 R HA -0.005 4.335 4.340 -0.000 0.000 0.234 438 R C 2.158 178.502 176.300 0.073 0.000 1.123 438 R CA 1.286 57.362 56.100 -0.040 0.000 0.975 438 R CB -0.350 29.846 30.300 -0.172 0.000 0.866 438 R HN 0.425 nan 8.270 nan 0.000 0.446 439 F N 1.593 121.562 119.950 0.032 0.000 2.186 439 F HA -0.109 4.418 4.527 0.000 0.000 0.299 439 F C 2.665 178.583 175.800 0.196 0.000 1.090 439 F CA 0.929 58.958 58.000 0.050 0.000 1.307 439 F CB -0.611 38.279 39.000 -0.183 0.000 1.019 439 F HN -0.067 nan 8.300 nan 0.000 0.489 440 Q N 0.608 120.674 119.800 0.443 0.000 2.096 440 Q HA -0.211 4.129 4.340 -0.000 0.000 0.204 440 Q C 2.167 178.268 176.000 0.169 0.000 0.982 440 Q CA 1.592 57.564 55.803 0.282 0.000 0.850 440 Q CB -0.452 28.402 28.738 0.194 0.000 0.901 440 Q HN 0.509 nan 8.270 nan 0.000 0.422 441 E N -0.168 120.117 120.200 0.141 0.000 2.085 441 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 441 E C 2.084 178.741 176.600 0.095 0.000 0.994 441 E CA 0.810 57.265 56.400 0.091 0.000 0.801 441 E CB 0.079 29.818 29.700 0.065 0.000 0.743 441 E HN 0.288 nan 8.360 nan 0.000 0.453 442 Q N 0.242 120.122 119.800 0.134 0.000 2.096 442 Q HA -0.145 4.195 4.340 -0.000 0.000 0.204 442 Q C 2.441 178.475 176.000 0.058 0.000 0.982 442 Q CA 1.051 56.920 55.803 0.110 0.000 0.850 442 Q CB -0.352 28.494 28.738 0.180 0.000 0.901 442 Q HN 0.231 nan 8.270 nan 0.000 0.422 443 V N 2.093 122.054 119.914 0.078 0.000 2.295 443 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 443 V C 1.889 177.990 176.094 0.011 0.000 1.049 443 V CA 1.853 64.168 62.300 0.024 0.000 1.024 443 V CB -0.689 31.169 31.823 0.058 0.000 0.648 443 V HN 0.324 nan 8.190 nan 0.000 0.447 444 N N 0.884 119.604 118.700 0.034 0.000 2.104 444 N HA -0.147 4.593 4.740 -0.000 0.000 0.190 444 N C 1.855 177.379 175.510 0.024 0.000 1.024 444 N CA 1.759 54.824 53.050 0.025 0.000 0.853 444 N CB -0.666 37.840 38.487 0.031 0.000 1.008 444 N HN 0.506 nan 8.380 nan 0.000 0.424 445 A N 1.052 123.894 122.820 0.037 0.000 1.933 445 A HA -0.159 4.162 4.320 -0.000 0.000 0.218 445 A C 2.170 179.770 177.584 0.027 0.000 1.175 445 A CA 1.565 53.632 52.037 0.051 0.000 0.628 445 A CB -0.476 18.567 19.000 0.071 0.000 0.814 445 A HN 0.328 nan 8.150 nan 0.000 0.444 446 K N -0.267 120.128 120.400 -0.010 0.000 2.097 446 K HA -0.050 4.270 4.320 -0.000 0.000 0.205 446 K C 2.078 178.658 176.600 -0.034 0.000 1.050 446 K CA 1.161 57.418 56.287 -0.051 0.000 0.938 446 K CB -0.313 32.106 32.500 -0.135 0.000 0.718 446 K HN 0.352 nan 8.250 nan 0.000 0.442 447 A N 0.871 123.678 122.820 -0.021 0.000 1.930 447 A HA -0.021 4.299 4.320 -0.000 0.000 0.217 447 A C 2.108 179.691 177.584 -0.003 0.000 1.175 447 A CA 1.589 53.619 52.037 -0.012 0.000 0.627 447 A CB -0.539 18.457 19.000 -0.006 0.000 0.815 447 A HN 0.436 nan 8.150 nan 0.000 0.443 448 A N -1.877 120.947 122.820 0.006 0.000 2.259 448 A HA 0.425 4.745 4.320 -0.000 0.000 0.208 448 A C 1.632 179.220 177.584 0.007 0.000 1.201 448 A CA 1.183 53.225 52.037 0.010 0.000 0.824 448 A CB -0.901 18.112 19.000 0.023 0.000 0.838 448 A HN 1.801 nan 8.150 nan 0.000 0.485 449 G N -0.618 108.186 108.800 0.006 0.000 2.201 449 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.212 449 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.212 449 G C 0.021 174.934 174.900 0.022 0.000 0.994 449 G CA 0.154 45.257 45.100 0.005 0.000 0.644 449 G HN 0.519 nan 8.290 nan 0.000 0.508 450 D N 2.117 122.542 120.400 0.042 0.000 2.470 450 D HA 0.381 5.021 4.640 -0.000 0.000 0.226 450 D C 1.285 177.599 176.300 0.024 0.000 1.196 450 D CA 0.013 54.056 54.000 0.072 0.000 0.979 450 D CB 0.200 41.071 40.800 0.119 0.000 1.059 450 D HN 0.359 nan 8.370 nan 0.000 0.515 451 D N 1.672 122.083 120.400 0.019 0.000 2.338 451 D HA -0.085 4.555 4.640 -0.000 0.000 0.239 451 D C 0.536 176.833 176.300 -0.006 0.000 1.095 451 D CA 0.331 54.325 54.000 -0.010 0.000 0.888 451 D CB -0.032 40.771 40.800 0.006 0.000 0.899 451 D HN 0.523 nan 8.370 nan 0.000 0.525 452 E N -0.416 119.793 120.200 0.015 0.000 2.526 452 E HA 0.272 4.622 4.350 -0.000 0.000 0.208 452 E C 0.541 177.145 176.600 0.007 0.000 0.997 452 E CA -0.287 56.129 56.400 0.026 0.000 0.961 452 E CB 0.768 30.502 29.700 0.058 0.000 1.030 452 E HN 0.310 nan 8.360 nan 0.000 0.483 453 A N 1.258 124.065 122.820 -0.022 0.000 2.448 453 A HA 0.237 4.557 4.320 -0.000 0.000 0.239 453 A C 0.362 177.885 177.584 -0.102 0.000 1.080 453 A CA 0.051 52.069 52.037 -0.032 0.000 0.779 453 A CB 0.181 19.163 19.000 -0.031 0.000 1.026 453 A HN 0.089 nan 8.150 nan 0.000 0.499 454 M N 0.194 119.772 119.600 -0.037 0.000 2.227 454 M HA 0.383 4.863 4.480 -0.000 0.000 0.316 454 M C -0.828 175.377 176.300 -0.159 0.000 1.144 454 M CA 0.288 55.573 55.300 -0.026 0.000 1.121 454 M CB 0.406 33.071 32.600 0.109 0.000 1.440 454 M HN 0.590 nan 8.290 nan 0.000 0.473 455 F N -0.223 119.630 119.950 -0.162 0.000 2.377 455 F HA 0.253 4.780 4.527 -0.000 0.000 0.328 455 F C -0.252 175.312 175.800 -0.393 0.000 1.094 455 F CA -0.351 57.535 58.000 -0.189 0.000 1.093 455 F CB 0.469 39.350 39.000 -0.198 0.000 1.214 455 F HN 0.307 nan 8.300 nan 0.000 0.518 456 Y N 2.570 122.753 120.300 -0.194 0.000 2.539 456 Y HA 0.108 4.658 4.550 0.000 0.000 0.352 456 Y C 0.036 175.731 175.900 -0.341 0.000 1.004 456 Y CA -0.543 57.310 58.100 -0.411 0.000 1.278 456 Y CB -0.034 38.357 38.460 -0.115 0.000 1.136 456 Y HN 0.397 nan 8.280 nan 0.000 0.528 457 D N 5.951 125.920 120.400 -0.718 0.000 2.479 457 D HA 0.015 4.655 4.640 -0.000 0.000 0.218 457 D C 0.978 177.227 176.300 -0.085 0.000 1.131 457 D CA 0.106 53.945 54.000 -0.269 0.000 0.916 457 D CB 0.532 41.182 40.800 -0.250 0.000 1.022 457 D HN 0.905 nan 8.370 nan 0.000 0.515 458 E N 2.450 122.737 120.200 0.146 0.000 2.085 458 E HA -0.261 4.089 4.350 -0.000 0.000 0.194 458 E C 0.950 177.636 176.600 0.144 0.000 0.994 458 E CA 1.273 57.828 56.400 0.259 0.000 0.801 458 E CB 0.266 30.133 29.700 0.279 0.000 0.743 458 E HN 0.417 nan 8.360 nan 0.000 0.453 459 D N -1.011 119.449 120.400 0.100 0.000 2.178 459 D HA -0.195 4.445 4.640 -0.000 0.000 0.202 459 D C 1.745 178.092 176.300 0.079 0.000 0.974 459 D CA 0.867 54.913 54.000 0.078 0.000 0.841 459 D CB -0.205 40.626 40.800 0.052 0.000 0.953 459 D HN 0.283 nan 8.370 nan 0.000 0.478 460 Y N 0.404 120.686 120.300 -0.030 0.000 2.181 460 Y HA -0.149 4.401 4.550 -0.000 0.000 0.288 460 Y C 2.064 177.979 175.900 0.024 0.000 1.146 460 Y CA 1.149 59.235 58.100 -0.022 0.000 1.164 460 Y CB -0.454 38.007 38.460 0.001 0.000 0.982 460 Y HN -0.096 nan 8.280 nan 0.000 0.515 461 V N -0.503 119.406 119.914 -0.009 0.000 2.332 461 V HA -0.352 3.768 4.120 -0.000 0.000 0.248 461 V C 2.283 178.314 176.094 -0.105 0.000 1.055 461 V CA 2.441 64.688 62.300 -0.088 0.000 1.038 461 V CB -1.255 30.592 31.823 0.041 0.000 0.651 461 V HN 0.455 nan 8.190 nan 0.000 0.450 462 T N 0.428 114.969 114.554 -0.021 0.000 2.720 462 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 462 T C 2.090 176.827 174.700 0.062 0.000 1.037 462 T CA 1.711 63.822 62.100 0.019 0.000 1.144 462 T CB -0.482 68.437 68.868 0.085 0.000 0.864 462 T HN 0.593 nan 8.240 nan 0.000 0.444 463 A N 1.402 124.222 122.820 0.000 0.000 1.883 463 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 463 A C 2.318 179.861 177.584 -0.070 0.000 1.186 463 A CA 1.351 53.386 52.037 -0.003 0.000 0.624 463 A CB -0.942 17.988 19.000 -0.118 0.000 0.822 463 A HN 0.494 nan 8.150 nan 0.000 0.444 464 L N -0.681 120.383 121.223 -0.265 0.000 2.131 464 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 464 L C 2.469 179.266 176.870 -0.123 0.000 1.092 464 L CA 1.542 56.239 54.840 -0.238 0.000 0.759 464 L CB -0.684 41.173 42.059 -0.337 0.000 0.903 464 L HN 0.500 nan 8.230 nan 0.000 0.435 465 E N -0.741 119.388 120.200 -0.118 0.000 2.265 465 E HA -0.212 4.138 4.350 -0.000 0.000 0.196 465 E C 1.804 178.281 176.600 -0.205 0.000 0.996 465 E CA 1.045 57.350 56.400 -0.158 0.000 0.832 465 E CB -0.019 29.564 29.700 -0.197 0.000 0.756 465 E HN 0.527 nan 8.360 nan 0.000 0.491 466 Y N 0.069 120.322 120.300 -0.078 0.000 2.519 466 Y HA 0.134 4.684 4.550 -0.000 0.000 0.287 466 Y C 1.023 176.888 175.900 -0.059 0.000 1.128 466 Y CA 0.780 58.844 58.100 -0.061 0.000 1.282 466 Y CB 0.959 39.382 38.460 -0.062 0.000 1.027 466 Y HN -0.017 nan 8.280 nan 0.000 0.551 467 G N 0.965 109.794 108.800 0.048 0.000 3.435 467 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.683 467 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.683 467 G C -1.743 173.151 174.900 -0.009 0.000 1.189 467 G CA -0.897 44.208 45.100 0.008 0.000 1.069 467 G HN 0.107 nan 8.290 nan 0.000 0.508 468 L N 5.664 126.864 121.223 -0.039 0.000 2.305 468 L HA 0.827 5.167 4.340 -0.000 0.000 0.284 468 L C -1.650 175.183 176.870 -0.062 0.000 1.013 468 L CA -2.239 52.569 54.840 -0.053 0.000 0.819 468 L CB 1.332 43.354 42.059 -0.062 0.000 1.227 468 L HN 0.430 nan 8.230 nan 0.000 0.417 469 P HA 0.207 nan 4.420 nan 0.000 0.272 469 P C -2.785 174.391 177.300 -0.207 0.000 1.230 469 P CA -1.311 61.677 63.100 -0.186 0.000 0.788 469 P CB -0.224 31.238 31.700 -0.397 0.000 0.949 470 P HA 0.036 nan 4.420 nan 0.000 0.263 470 P C -0.504 176.709 177.300 -0.144 0.000 1.195 470 P CA 0.729 63.775 63.100 -0.090 0.000 0.762 470 P CB 0.211 31.901 31.700 -0.015 0.000 0.799 471 T N 1.589 116.121 114.554 -0.036 0.000 2.896 471 T HA 0.665 5.015 4.350 -0.000 0.000 0.297 471 T C -0.873 173.875 174.700 0.080 0.000 1.108 471 T CA -0.444 61.659 62.100 0.005 0.000 1.004 471 T CB 1.971 70.868 68.868 0.048 0.000 1.159 471 T HN 0.439 nan 8.240 nan 0.000 0.499 472 A N 0.772 123.641 122.820 0.083 0.000 2.356 472 A HA 0.902 5.222 4.320 -0.000 0.000 0.310 472 A C -0.081 177.471 177.584 -0.052 0.000 1.075 472 A CA -0.650 51.415 52.037 0.047 0.000 0.746 472 A CB 1.410 20.448 19.000 0.063 0.000 1.221 472 A HN 1.087 nan 8.150 nan 0.000 0.443 473 G N 0.118 108.754 108.800 -0.273 0.000 2.519 473 G HA2 0.658 4.618 3.960 -0.000 0.000 0.307 473 G HA3 0.658 4.618 3.960 -0.000 0.000 0.307 473 G C -1.731 172.752 174.900 -0.695 0.000 1.266 473 G CA -0.475 44.200 45.100 -0.709 0.000 0.970 473 G HN 1.149 nan 8.290 nan 0.000 0.481 474 L N 0.868 121.710 121.223 -0.635 0.000 2.422 474 L HA 0.882 5.222 4.340 -0.000 0.000 0.264 474 L C 0.007 176.682 176.870 -0.326 0.000 0.984 474 L CA -0.430 54.163 54.840 -0.412 0.000 0.819 474 L CB 2.273 44.216 42.059 -0.194 0.000 1.330 474 L HN 0.817 nan 8.230 nan 0.000 0.410 475 G N 4.951 113.617 108.800 -0.224 0.000 2.513 475 G HA2 0.710 4.670 3.960 -0.000 0.000 0.317 475 G HA3 0.710 4.670 3.960 -0.000 0.000 0.317 475 G C -1.425 173.467 174.900 -0.014 0.000 1.277 475 G CA -0.410 44.626 45.100 -0.106 0.000 0.955 475 G HN 0.574 nan 8.290 nan 0.000 0.484 476 I N 1.490 122.073 120.570 0.023 0.000 2.499 476 I HA 0.351 4.521 4.170 -0.000 0.000 0.288 476 I C 0.671 176.833 176.117 0.074 0.000 1.048 476 I CA -0.995 60.352 61.300 0.079 0.000 1.062 476 I CB 2.413 40.464 38.000 0.085 0.000 1.238 476 I HN 0.594 nan 8.210 nan 0.000 0.426 477 G N 6.284 115.138 108.800 0.089 0.000 2.389 477 G HA2 0.210 4.170 3.960 -0.000 0.000 0.287 477 G HA3 0.210 4.170 3.960 -0.000 0.000 0.287 477 G C 0.966 175.908 174.900 0.070 0.000 1.126 477 G CA -0.275 44.885 45.100 0.101 0.000 1.073 477 G HN 0.523 nan 8.290 nan 0.000 0.429 478 I N 1.987 122.593 120.570 0.061 0.000 2.252 478 I HA -0.101 4.069 4.170 -0.000 0.000 0.245 478 I C 2.030 178.154 176.117 0.012 0.000 1.102 478 I CA 1.006 62.310 61.300 0.006 0.000 1.385 478 I CB -0.461 37.533 38.000 -0.010 0.000 1.064 478 I HN 0.413 nan 8.210 nan 0.000 0.414 479 D N 0.836 121.269 120.400 0.055 0.000 2.104 479 D HA -0.175 4.465 4.640 -0.000 0.000 0.194 479 D C 2.245 178.558 176.300 0.022 0.000 0.994 479 D CA 1.002 55.030 54.000 0.046 0.000 0.830 479 D CB -0.197 40.652 40.800 0.082 0.000 0.959 479 D HN 0.296 nan 8.370 nan 0.000 0.452 480 R N 0.509 121.020 120.500 0.018 0.000 2.081 480 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 480 R C 2.350 178.653 176.300 0.004 0.000 1.131 480 R CA 0.548 56.642 56.100 -0.010 0.000 0.960 480 R CB -0.818 29.465 30.300 -0.027 0.000 0.856 480 R HN 0.319 nan 8.270 nan 0.000 0.436 481 M N 0.609 120.231 119.600 0.035 0.000 2.108 481 M HA -0.151 4.329 4.480 -0.000 0.000 0.261 481 M C 1.751 178.123 176.300 0.120 0.000 1.066 481 M CA 1.659 57.010 55.300 0.084 0.000 1.107 481 M CB 0.023 32.597 32.600 -0.043 0.000 1.356 481 M HN -0.038 nan 8.290 nan 0.000 0.406 482 I N 0.254 120.838 120.570 0.024 0.000 2.493 482 I HA -0.267 3.903 4.170 -0.000 0.000 0.254 482 I C 2.322 178.482 176.117 0.071 0.000 1.160 482 I CA 1.383 62.698 61.300 0.025 0.000 1.445 482 I CB -1.273 36.709 38.000 -0.030 0.000 1.086 482 I HN 0.510 nan 8.210 nan 0.000 0.433 483 M N 0.352 119.974 119.600 0.036 0.000 2.067 483 M HA -0.204 4.276 4.480 -0.000 0.000 0.260 483 M C 2.391 178.707 176.300 0.027 0.000 1.069 483 M CA 1.856 57.171 55.300 0.024 0.000 1.117 483 M CB -0.445 32.152 32.600 -0.004 0.000 1.334 483 M HN 0.149 nan 8.290 nan 0.000 0.407 484 L N -1.212 119.950 121.223 -0.101 0.000 2.079 484 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 484 L C 2.035 178.907 176.870 0.004 0.000 1.081 484 L CA 1.267 55.952 54.840 -0.259 0.000 0.752 484 L CB -0.720 41.223 42.059 -0.193 0.000 0.896 484 L HN 0.205 nan 8.230 nan 0.000 0.433 485 F N -0.362 119.613 119.950 0.042 0.000 2.780 485 F HA -0.040 4.487 4.527 -0.000 0.000 0.299 485 F C 2.041 177.876 175.800 0.057 0.000 1.146 485 F CA 1.017 59.060 58.000 0.072 0.000 1.428 485 F CB -0.298 38.709 39.000 0.012 0.000 1.115 485 F HN 0.121 nan 8.300 nan 0.000 0.583 486 T N -4.979 109.684 114.554 0.183 0.000 3.111 486 T HA 0.137 4.487 4.350 -0.000 0.000 0.284 486 T C 0.745 175.496 174.700 0.085 0.000 0.983 486 T CA -0.193 61.966 62.100 0.099 0.000 0.900 486 T CB -0.288 68.592 68.868 0.019 0.000 1.132 486 T HN 0.089 nan 8.240 nan 0.000 0.531 487 N N 1.297 120.091 118.700 0.156 0.000 2.693 487 N HA -0.157 4.583 4.740 -0.000 0.000 0.249 487 N C -0.730 174.753 175.510 -0.045 0.000 1.119 487 N CA 0.720 53.827 53.050 0.095 0.000 0.717 487 N CB -1.484 37.038 38.487 0.057 0.000 1.071 487 N HN 0.625 nan 8.380 nan 0.000 0.555 488 S N -0.507 115.194 115.700 0.002 0.000 2.584 488 S HA 0.215 4.685 4.470 -0.000 0.000 0.273 488 S C 0.975 175.499 174.600 -0.127 0.000 1.311 488 S CA -0.365 57.826 58.200 -0.015 0.000 1.034 488 S CB 1.007 64.203 63.200 -0.007 0.000 0.939 488 S HN 0.272 nan 8.310 nan 0.000 0.513 489 H N 0.479 119.599 119.070 0.082 0.000 2.893 489 H HA 0.170 4.726 4.556 0.000 0.000 0.270 489 H C 0.486 175.856 175.328 0.070 0.000 1.095 489 H CA 0.251 56.347 56.048 0.080 0.000 1.186 489 H CB 0.639 30.392 29.762 -0.015 0.000 1.562 489 H HN 0.680 nan 8.280 nan 0.000 0.536 490 T N -2.271 112.358 114.554 0.125 0.000 2.887 490 T HA 0.295 4.645 4.350 -0.000 0.000 0.288 490 T C 1.144 175.853 174.700 0.016 0.000 1.021 490 T CA -0.741 61.398 62.100 0.065 0.000 1.000 490 T CB 2.092 71.000 68.868 0.067 0.000 1.034 490 T HN 0.038 nan 8.240 nan 0.000 0.467 491 I N 0.812 121.375 120.570 -0.010 0.000 2.454 491 I HA -0.098 4.072 4.170 -0.000 0.000 0.254 491 I C 2.497 178.586 176.117 -0.047 0.000 1.156 491 I CA 0.944 62.235 61.300 -0.015 0.000 1.433 491 I CB -0.015 37.982 38.000 -0.006 0.000 1.082 491 I HN 0.684 nan 8.210 nan 0.000 0.432 492 R N 0.289 120.710 120.500 -0.131 0.000 2.237 492 R HA -0.123 4.217 4.340 -0.000 0.000 0.219 492 R C 1.113 177.236 176.300 -0.294 0.000 1.080 492 R CA 0.949 56.850 56.100 -0.332 0.000 0.995 492 R CB -0.185 29.692 30.300 -0.705 0.000 0.875 492 R HN 0.387 nan 8.270 nan 0.000 0.462 493 D N -0.512 119.837 120.400 -0.085 0.000 2.349 493 D HA -0.026 4.614 4.640 -0.000 0.000 0.215 493 D C 1.043 177.313 176.300 -0.050 0.000 1.016 493 D CA 0.609 54.632 54.000 0.039 0.000 0.870 493 D CB 0.736 41.577 40.800 0.068 0.000 0.917 493 D HN 0.003 nan 8.370 nan 0.000 0.524 494 V N 0.377 120.270 119.914 -0.034 0.000 3.477 494 V HA 0.240 4.360 4.120 -0.000 0.000 0.297 494 V C 0.109 176.315 176.094 0.187 0.000 1.433 494 V CA 0.012 62.252 62.300 -0.100 0.000 1.052 494 V CB 0.677 32.456 31.823 -0.073 0.000 0.895 494 V HN -0.061 nan 8.190 nan 0.000 0.438 495 I N 0.152 120.883 120.570 0.269 0.000 2.406 495 I HA 0.268 4.438 4.170 -0.000 0.000 0.290 495 I C 0.967 177.192 176.117 0.181 0.000 0.999 495 I CA -0.364 61.085 61.300 0.248 0.000 1.124 495 I CB 2.189 40.252 38.000 0.105 0.000 1.289 495 I HN 0.089 nan 8.210 nan 0.000 0.441 496 L N 5.479 126.659 121.223 -0.072 0.000 2.013 496 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 496 L C 0.127 176.570 176.870 -0.712 0.000 1.073 496 L CA 1.978 56.410 54.840 -0.680 0.000 0.753 496 L CB -0.157 41.485 42.059 -0.694 0.000 0.890 496 L HN 0.469 nan 8.230 nan 0.000 0.432 497 F N -0.154 119.781 119.950 -0.024 0.000 2.660 497 F HA 0.332 4.859 4.527 -0.000 0.000 0.352 497 F C -1.924 173.892 175.800 0.026 0.000 1.257 497 F CA -2.229 55.780 58.000 0.014 0.000 1.200 497 F CB 0.148 39.157 39.000 0.014 0.000 1.473 497 F HN -0.118 nan 8.300 nan 0.000 0.561 498 P HA 0.252 nan 4.420 nan 0.000 0.272 498 P C -0.377 176.989 177.300 0.110 0.000 1.230 498 P CA -0.286 62.851 63.100 0.062 0.000 0.788 498 P CB 1.195 32.837 31.700 -0.098 0.000 0.949 499 A N 3.425 126.308 122.820 0.105 0.000 2.440 499 A HA 0.529 4.849 4.320 -0.000 0.000 0.251 499 A C 0.341 177.993 177.584 0.114 0.000 1.089 499 A CA 0.049 52.156 52.037 0.117 0.000 0.779 499 A CB -0.302 18.775 19.000 0.128 0.000 1.022 499 A HN 0.476 nan 8.150 nan 0.000 0.492 500 M N 0.777 120.448 119.600 0.118 0.000 2.704 500 M HA 0.559 5.039 4.480 -0.000 0.000 0.284 500 M C 0.261 176.621 176.300 0.100 0.000 1.275 500 M CA -0.586 54.784 55.300 0.118 0.000 0.811 500 M CB 1.379 34.059 32.600 0.133 0.000 1.741 500 M HN 0.728 nan 8.290 nan 0.000 0.458 501 R N 1.953 122.507 120.500 0.090 0.000 2.522 501 R HA 0.612 4.952 4.340 -0.000 0.000 0.290 501 R C -1.943 174.397 176.300 0.066 0.000 1.216 501 R CA -1.300 54.846 56.100 0.076 0.000 1.250 501 R CB -1.712 28.630 30.300 0.070 0.000 1.143 501 R HN 0.643 nan 8.270 nan 0.000 0.553 502 P HA 0.000 nan 4.420 nan 0.000 0.216 502 P CA 0.000 63.133 63.100 0.056 0.000 0.800 502 P CB 0.000 31.732 31.700 0.053 0.000 0.726