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 1qkc_1_A DATA FIRST_RESID 19 DATA SEQUENCE ESAWGPAATI AARQSATGTK TDTPIQKVPQ SISVVTAEEM ALHQPKSVKE DATA SEQUENCE ALSYTPGVSV GTRGASNTYD HLIIRGFAAE GQSQNNYLNG LKLQGNFYND DATA SEQUENCE AVIDPYMLER AEIMRGPVSV LYGKSSPGGL LNMVSKRPTT EPLKEVQFKA DATA SEQUENCE GTDSLFQTGF DFSDSLDDDG VYSYRLTGLA RSANAQQKGS EEQRYAIAPA DATA SEQUENCE FTWRPDDKTN FTFLSYFQNE PETGYYGWLP KEGTVEPLPN GKRLPTDFNE DATA SEQUENCE GAKNNTYSRN EKMVGYSFDH EFNDTFTVRQ NLRFAENKTS QNSVYGYGVc DATA SEQUENCE SDPANAYSKQ cAALAPADKG HYLARKYVVD DEKLQNFSVD TQLQSKFATG DATA SEQUENCE DIDHTLLTGV DFMRMRNDIN AWFGYDDSVP LLNLYNPSSH HHHHHGSSVN DATA SEQUENCE TDFDFNAKDP ANSGPYRILN KQKQTGVYVQ DQAQWDKVLV TLGGRYDWAD DATA SEQUENCE QESLNRVAGT TDKRDDKQFT WRGGVNYLFD NGVTPYFSYS ESFEPSSQVG DATA SEQUENCE KDGNIFAPSK GKQYEVGVKY VPEDRPIVVT GAVYNLTKTN NLMADPEGSF DATA SEQUENCE FSVEGGEIRA RGVEIEAKAA LSASVNVVGS YTYTDAEYTT DTTYKGNTPA DATA SEQUENCE QVPKHMASLW ADYTFFDGPL SGLTLGTGGR YTGSSYGDPA NSFKVGSYTV DATA SEQUENCE VDALVRYDLA RVGMAGSNVA LHVNNLFDRE YVAScFNTYG cFWGAERQVV DATA SEQUENCE ATATFRF 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 19 E HA 0.000 nan 4.350 nan 0.000 0.291 19 E C 0.000 176.591 176.600 -0.014 0.000 1.382 19 E CA 0.000 56.389 56.400 -0.019 0.000 0.976 19 E CB 0.000 29.678 29.700 -0.036 0.000 0.812 20 S N 2.558 118.259 115.700 0.000 0.000 2.454 20 S HA 0.621 5.091 4.470 -0.000 0.000 0.306 20 S C 0.908 175.481 174.600 -0.045 0.000 1.100 20 S CA 0.271 58.491 58.200 0.032 0.000 1.087 20 S CB 1.430 64.706 63.200 0.127 0.000 1.019 20 S HN 0.696 nan 8.310 nan 0.000 0.480 21 A N 4.859 127.561 122.820 -0.197 0.000 1.997 21 A HA -0.076 4.244 4.320 -0.000 0.000 0.221 21 A C 1.343 178.646 177.584 -0.469 0.000 1.172 21 A CA 1.214 52.970 52.037 -0.468 0.000 0.645 21 A CB -0.461 18.014 19.000 -0.876 0.000 0.813 21 A HN 0.930 nan 8.150 nan 0.000 0.454 22 W N -0.616 120.657 121.300 -0.045 0.000 3.330 22 W HA 0.398 5.058 4.660 -0.000 0.000 0.348 22 W C 0.705 177.196 176.519 -0.047 0.000 1.205 22 W CA 0.289 57.606 57.345 -0.046 0.000 1.841 22 W CB -0.395 29.039 29.460 -0.043 0.000 1.084 22 W HN 0.407 nan 8.180 nan 0.000 0.665 23 G N -0.038 108.819 108.800 0.095 0.000 3.086 23 G HA2 0.528 4.488 3.960 -0.000 0.000 0.282 23 G HA3 0.528 4.488 3.960 -0.000 0.000 0.282 23 G C -2.596 172.303 174.900 -0.000 0.000 1.343 23 G CA -0.996 44.134 45.100 0.050 0.000 0.895 23 G HN -0.373 nan 8.290 nan 0.000 0.557 24 P HA 0.272 nan 4.420 nan 0.000 0.314 24 P C 0.501 177.785 177.300 -0.027 0.000 1.376 24 P CA 1.784 64.874 63.100 -0.018 0.000 0.821 24 P CB 0.435 32.129 31.700 -0.010 0.000 1.691 25 A N -3.440 119.366 122.820 -0.024 0.000 2.487 25 A HA 0.577 4.897 4.320 -0.000 0.000 0.192 25 A C 0.903 178.474 177.584 -0.022 0.000 1.709 25 A CA 1.304 53.324 52.037 -0.030 0.000 1.105 25 A CB -0.678 18.297 19.000 -0.042 0.000 1.081 25 A HN 0.500 nan 8.150 nan 0.000 0.445 26 A N -0.867 121.946 122.820 -0.012 0.000 1.255 26 A HA -0.223 4.097 4.320 -0.000 0.000 0.250 26 A C 1.147 178.731 177.584 -0.002 0.000 0.983 26 A CA 2.389 54.423 52.037 -0.005 0.000 1.095 26 A CB -2.609 16.385 19.000 -0.010 0.000 1.471 26 A HN 1.858 nan 8.150 nan 0.000 0.723 27 T N -0.435 114.114 114.554 -0.009 0.000 2.948 27 T HA 0.594 4.944 4.350 -0.000 0.000 0.285 27 T C 0.992 175.686 174.700 -0.011 0.000 1.019 27 T CA -0.060 62.038 62.100 -0.003 0.000 1.013 27 T CB 0.915 69.779 68.868 -0.006 0.000 1.117 27 T HN 1.331 nan 8.240 nan 0.000 0.533 28 I N -1.159 119.407 120.570 -0.006 0.000 3.454 28 I HA 0.335 4.505 4.170 -0.000 0.000 0.297 28 I C 1.025 177.130 176.117 -0.020 0.000 1.298 28 I CA -0.332 60.958 61.300 -0.017 0.000 1.297 28 I CB -1.514 36.478 38.000 -0.015 0.000 1.017 28 I HN 0.592 nan 8.210 nan 0.000 0.528 29 A N 1.442 124.249 122.820 -0.022 0.000 2.394 29 A HA 0.854 5.174 4.320 -0.000 0.000 0.333 29 A C 0.296 177.852 177.584 -0.045 0.000 1.397 29 A CA -0.316 51.702 52.037 -0.032 0.000 0.884 29 A CB -0.265 18.716 19.000 -0.031 0.000 1.147 29 A HN 0.389 nan 8.150 nan 0.000 0.505 30 A N 2.444 125.232 122.820 -0.054 0.000 2.276 30 A HA 0.543 4.863 4.320 -0.000 0.000 0.300 30 A C 1.011 178.550 177.584 -0.076 0.000 1.235 30 A CA -0.593 51.404 52.037 -0.066 0.000 0.867 30 A CB 0.261 19.215 19.000 -0.076 0.000 1.137 30 A HN 0.862 nan 8.150 nan 0.000 0.527 31 R N 0.743 121.197 120.500 -0.076 0.000 2.140 31 R HA 0.033 4.373 4.340 -0.000 0.000 0.213 31 R C -0.120 176.125 176.300 -0.092 0.000 1.059 31 R CA 0.646 56.697 56.100 -0.081 0.000 1.000 31 R CB 0.090 30.348 30.300 -0.071 0.000 0.910 31 R HN 0.712 nan 8.270 nan 0.000 0.455 32 Q N 0.674 120.414 119.800 -0.100 0.000 2.293 32 Q HA 0.340 4.680 4.340 -0.000 0.000 0.261 32 Q C -0.896 174.998 176.000 -0.176 0.000 0.960 32 Q CA -0.188 55.539 55.803 -0.126 0.000 0.882 32 Q CB 2.290 30.962 28.738 -0.110 0.000 1.275 32 Q HN -0.073 nan 8.270 nan 0.000 0.445 33 S N 0.355 115.930 115.700 -0.208 0.000 2.540 33 S HA 0.686 5.156 4.470 -0.000 0.000 0.275 33 S C -0.499 173.914 174.600 -0.312 0.000 1.123 33 S CA 0.035 58.076 58.200 -0.265 0.000 0.907 33 S CB 1.528 64.604 63.200 -0.207 0.000 1.081 33 S HN 0.585 nan 8.310 nan 0.000 0.476 34 A N 2.254 124.812 122.820 -0.437 0.000 2.288 34 A HA 0.235 4.555 4.320 -0.000 0.000 0.216 34 A C 1.394 178.832 177.584 -0.244 0.000 1.199 34 A CA 0.759 52.544 52.037 -0.420 0.000 0.891 34 A CB -0.606 17.921 19.000 -0.788 0.000 0.923 34 A HN 0.929 nan 8.150 nan 0.000 0.500 35 T N -1.134 113.289 114.554 -0.218 0.000 3.228 35 T HA 0.144 4.494 4.350 -0.000 0.000 0.261 35 T C 1.330 175.983 174.700 -0.079 0.000 1.171 35 T CA 1.007 63.038 62.100 -0.115 0.000 1.056 35 T CB -0.012 68.757 68.868 -0.165 0.000 0.938 35 T HN 0.415 nan 8.240 nan 0.000 0.539 36 G N 1.346 110.078 108.800 -0.114 0.000 2.780 36 G HA2 0.123 4.083 3.960 -0.000 0.000 0.198 36 G HA3 0.123 4.083 3.960 -0.000 0.000 0.198 36 G C 1.158 175.989 174.900 -0.114 0.000 1.067 36 G CA 0.200 45.232 45.100 -0.114 0.000 0.765 36 G HN 0.542 nan 8.290 nan 0.000 0.581 37 T N -0.587 113.901 114.554 -0.110 0.000 3.058 37 T HA 0.287 4.636 4.350 -0.000 0.000 0.278 37 T C 0.955 175.616 174.700 -0.064 0.000 0.974 37 T CA 0.019 62.065 62.100 -0.090 0.000 0.893 37 T CB 0.663 69.488 68.868 -0.071 0.000 1.138 37 T HN 0.132 nan 8.240 nan 0.000 0.529 38 K N 0.929 121.285 120.400 -0.073 0.000 3.547 38 K HA -0.133 4.187 4.320 -0.000 0.000 0.309 38 K C -0.369 176.269 176.600 0.064 0.000 1.324 38 K CA 1.493 57.776 56.287 -0.007 0.000 0.988 38 K CB -2.517 29.984 32.500 0.001 0.000 1.261 38 K HN 0.655 nan 8.250 nan 0.000 0.444 39 T N -0.142 114.415 114.554 0.005 0.000 2.876 39 T HA 0.243 4.593 4.350 -0.000 0.000 0.289 39 T C -0.533 174.137 174.700 -0.050 0.000 1.014 39 T CA -0.945 61.183 62.100 0.046 0.000 0.986 39 T CB 2.650 71.538 68.868 0.034 0.000 1.021 39 T HN 0.005 nan 8.240 nan 0.000 0.458 40 D N 2.703 123.082 120.400 -0.034 0.000 2.451 40 D HA 0.211 4.850 4.640 -0.000 0.000 0.254 40 D C -0.327 175.923 176.300 -0.083 0.000 1.204 40 D CA 0.685 54.606 54.000 -0.132 0.000 0.896 40 D CB 0.243 41.038 40.800 -0.007 0.000 1.136 40 D HN 0.695 nan 8.370 nan 0.000 0.499 41 T N 2.357 116.841 114.554 -0.116 0.000 2.932 41 T HA 0.414 4.763 4.350 -0.000 0.000 0.318 41 T C -2.803 171.841 174.700 -0.093 0.000 1.265 41 T CA -1.580 60.470 62.100 -0.083 0.000 1.036 41 T CB 1.799 70.624 68.868 -0.072 0.000 1.209 41 T HN 0.053 nan 8.240 nan 0.000 0.484 42 P HA 0.176 nan 4.420 nan 0.000 0.265 42 P C 1.433 178.678 177.300 -0.092 0.000 1.193 42 P CA -0.466 62.590 63.100 -0.073 0.000 0.765 42 P CB 0.243 31.914 31.700 -0.048 0.000 0.823 43 I N 1.755 122.263 120.570 -0.103 0.000 2.567 43 I HA -0.288 3.882 4.170 -0.000 0.000 0.257 43 I C 1.686 177.724 176.117 -0.132 0.000 1.184 43 I CA 1.235 62.460 61.300 -0.124 0.000 1.451 43 I CB -0.852 37.079 38.000 -0.115 0.000 1.089 43 I HN 0.356 nan 8.210 nan 0.000 0.441 44 Q N 2.665 122.410 119.800 -0.092 0.000 2.172 44 Q HA -0.135 4.205 4.340 -0.000 0.000 0.200 44 Q C 1.534 177.495 176.000 -0.066 0.000 0.964 44 Q CA 1.197 56.959 55.803 -0.068 0.000 0.855 44 Q CB -0.433 28.294 28.738 -0.019 0.000 0.918 44 Q HN 0.590 nan 8.270 nan 0.000 0.444 45 K N 0.905 121.271 120.400 -0.056 0.000 2.487 45 K HA 0.182 4.502 4.320 -0.000 0.000 0.192 45 K C -0.257 176.293 176.600 -0.082 0.000 1.027 45 K CA -0.069 56.199 56.287 -0.033 0.000 1.054 45 K CB 0.682 33.174 32.500 -0.014 0.000 0.824 45 K HN -0.014 nan 8.250 nan 0.000 0.510 46 V N 3.560 123.383 119.914 -0.153 0.000 2.350 46 V HA 0.091 4.211 4.120 -0.000 0.000 0.276 46 V C -1.574 174.325 176.094 -0.324 0.000 1.028 46 V CA -1.566 60.617 62.300 -0.195 0.000 0.860 46 V CB 1.416 33.124 31.823 -0.191 0.000 0.990 46 V HN 0.070 nan 8.190 nan 0.000 0.453 47 P HA -0.045 nan 4.420 nan 0.000 0.244 47 P C 0.149 177.325 177.300 -0.206 0.000 1.211 47 P CA 0.663 63.633 63.100 -0.217 0.000 0.760 47 P CB 0.558 32.195 31.700 -0.106 0.000 0.961 48 Q N -0.997 118.629 119.800 -0.289 0.000 2.495 48 Q HA 0.398 4.738 4.340 -0.000 0.000 0.287 48 Q C -0.653 175.241 176.000 -0.175 0.000 1.078 48 Q CA -0.753 54.956 55.803 -0.158 0.000 0.793 48 Q CB 1.974 30.623 28.738 -0.147 0.000 1.459 48 Q HN -0.242 nan 8.270 nan 0.000 0.422 49 S N 1.754 117.421 115.700 -0.055 0.000 2.503 49 S HA 0.208 4.678 4.470 -0.000 0.000 0.317 49 S C -0.577 173.971 174.600 -0.087 0.000 1.162 49 S CA 0.045 58.227 58.200 -0.029 0.000 1.124 49 S CB -0.588 62.634 63.200 0.037 0.000 1.207 49 S HN 0.238 nan 8.310 nan 0.000 0.538 50 I N 2.470 122.975 120.570 -0.108 0.000 2.530 50 I HA 0.400 4.570 4.170 -0.000 0.000 0.297 50 I C 0.216 176.281 176.117 -0.087 0.000 1.011 50 I CA 0.004 61.235 61.300 -0.115 0.000 1.107 50 I CB 2.155 40.071 38.000 -0.141 0.000 1.285 50 I HN 0.317 nan 8.210 nan 0.000 0.436 51 S N 3.755 119.404 115.700 -0.085 0.000 2.521 51 S HA 0.800 5.269 4.470 -0.000 0.000 0.295 51 S C -0.933 173.619 174.600 -0.080 0.000 1.098 51 S CA -0.650 57.512 58.200 -0.064 0.000 0.999 51 S CB 2.048 65.220 63.200 -0.046 0.000 1.034 51 S HN 0.265 nan 8.310 nan 0.000 0.483 52 V N 2.975 122.848 119.914 -0.070 0.000 2.577 52 V HA 0.454 4.573 4.120 -0.000 0.000 0.303 52 V C -0.643 175.413 176.094 -0.062 0.000 1.042 52 V CA -0.711 61.541 62.300 -0.079 0.000 0.872 52 V CB 1.873 33.641 31.823 -0.092 0.000 0.998 52 V HN 0.672 nan 8.190 nan 0.000 0.423 53 V N 4.438 124.312 119.914 -0.066 0.000 2.350 53 V HA 0.370 4.490 4.120 -0.000 0.000 0.276 53 V C 0.671 176.728 176.094 -0.062 0.000 1.028 53 V CA -0.299 61.965 62.300 -0.059 0.000 0.860 53 V CB 1.788 33.575 31.823 -0.060 0.000 0.990 53 V HN 1.034 nan 8.190 nan 0.000 0.453 54 T N 3.100 117.620 114.554 -0.056 0.000 2.828 54 T HA 0.383 4.733 4.350 -0.000 0.000 0.290 54 T C 1.434 176.105 174.700 -0.048 0.000 1.019 54 T CA 0.080 62.149 62.100 -0.051 0.000 1.031 54 T CB 1.296 70.139 68.868 -0.043 0.000 1.001 54 T HN 0.740 nan 8.240 nan 0.000 0.531 55 A N -0.220 122.574 122.820 -0.043 0.000 2.015 55 A HA -0.047 4.273 4.320 -0.000 0.000 0.219 55 A C 2.234 179.801 177.584 -0.028 0.000 1.163 55 A CA 1.377 53.390 52.037 -0.039 0.000 0.646 55 A CB -0.756 18.219 19.000 -0.042 0.000 0.806 55 A HN 0.992 nan 8.150 nan 0.000 0.448 56 E N -0.171 120.012 120.200 -0.028 0.000 2.015 56 E HA -0.233 4.116 4.350 -0.000 0.000 0.191 56 E C 2.002 178.573 176.600 -0.048 0.000 0.991 56 E CA 1.237 57.623 56.400 -0.023 0.000 0.802 56 E CB -0.215 29.476 29.700 -0.014 0.000 0.759 56 E HN 0.713 nan 8.360 nan 0.000 0.447 57 E N -0.152 120.012 120.200 -0.062 0.000 2.130 57 E HA -0.234 4.116 4.350 -0.000 0.000 0.196 57 E C 2.132 178.697 176.600 -0.059 0.000 0.998 57 E CA 1.432 57.774 56.400 -0.097 0.000 0.806 57 E CB 0.002 29.646 29.700 -0.093 0.000 0.738 57 E HN 0.340 nan 8.360 nan 0.000 0.459 58 M N -0.264 119.311 119.600 -0.042 0.000 2.123 58 M HA -0.057 4.422 4.480 -0.000 0.000 0.263 58 M C 2.107 178.381 176.300 -0.043 0.000 1.069 58 M CA 1.140 56.424 55.300 -0.028 0.000 1.133 58 M CB -0.012 32.571 32.600 -0.028 0.000 1.356 58 M HN 0.083 nan 8.290 nan 0.000 0.415 59 A N -0.232 122.567 122.820 -0.036 0.000 2.215 59 A HA 0.053 4.372 4.320 -0.000 0.000 0.208 59 A C 1.598 179.145 177.584 -0.063 0.000 1.296 59 A CA 0.722 52.741 52.037 -0.031 0.000 0.918 59 A CB -0.555 18.454 19.000 0.016 0.000 0.806 59 A HN 0.393 nan 8.150 nan 0.000 0.490 60 L N -2.241 118.897 121.223 -0.143 0.000 2.653 60 L HA 0.253 4.593 4.340 -0.000 0.000 0.230 60 L C 1.724 178.331 176.870 -0.439 0.000 1.055 60 L CA 1.197 55.883 54.840 -0.256 0.000 0.880 60 L CB -0.025 41.745 42.059 -0.481 0.000 1.195 60 L HN 0.556 nan 8.230 nan 0.000 0.492 61 H N -1.286 117.618 119.070 -0.277 0.000 2.827 61 H HA 0.267 4.823 4.556 -0.000 0.000 0.269 61 H C -0.112 174.981 175.328 -0.391 0.000 1.031 61 H CA -0.029 55.861 56.048 -0.263 0.000 1.202 61 H CB 0.746 30.401 29.762 -0.179 0.000 1.511 61 H HN 0.119 nan 8.280 nan 0.000 0.517 62 Q N 0.006 119.616 119.800 -0.316 0.000 2.453 62 Q HA -0.108 4.232 4.340 -0.000 0.000 0.330 62 Q C -2.414 173.509 176.000 -0.128 0.000 1.417 62 Q CA 0.162 55.802 55.803 -0.271 0.000 0.902 62 Q CB -1.984 26.488 28.738 -0.442 0.000 1.154 62 Q HN 0.458 nan 8.270 nan 0.000 0.395 63 P HA -0.016 nan 4.420 nan 0.000 0.269 63 P C 0.893 178.165 177.300 -0.048 0.000 1.211 63 P CA 0.115 63.188 63.100 -0.045 0.000 0.781 63 P CB 0.684 32.359 31.700 -0.042 0.000 0.877 64 K N 0.191 120.566 120.400 -0.042 0.000 2.242 64 K HA 0.082 4.402 4.320 -0.000 0.000 0.200 64 K C 0.495 177.069 176.600 -0.043 0.000 1.050 64 K CA 0.654 56.914 56.287 -0.045 0.000 0.981 64 K CB 0.241 32.714 32.500 -0.044 0.000 0.795 64 K HN 0.640 nan 8.250 nan 0.000 0.477 65 S N -1.740 113.934 115.700 -0.043 0.000 2.627 65 S HA 0.196 4.666 4.470 -0.000 0.000 0.283 65 S C 0.942 175.513 174.600 -0.049 0.000 1.127 65 S CA -0.972 57.201 58.200 -0.046 0.000 0.863 65 S CB 1.767 64.936 63.200 -0.052 0.000 1.121 65 S HN -0.157 nan 8.310 nan 0.000 0.479 66 V N 1.845 121.725 119.914 -0.056 0.000 2.568 66 V HA -0.178 3.942 4.120 -0.000 0.000 0.253 66 V C 2.659 178.714 176.094 -0.064 0.000 1.072 66 V CA 2.338 64.600 62.300 -0.065 0.000 1.084 66 V CB -1.114 30.662 31.823 -0.079 0.000 0.676 66 V HN 0.999 nan 8.190 nan 0.000 0.469 67 K N 0.827 121.193 120.400 -0.057 0.000 1.965 67 K HA -0.246 4.073 4.320 -0.000 0.000 0.218 67 K C 2.107 178.675 176.600 -0.054 0.000 1.048 67 K CA 2.189 58.445 56.287 -0.052 0.000 0.960 67 K CB -0.346 32.132 32.500 -0.036 0.000 0.732 67 K HN 0.543 nan 8.250 nan 0.000 0.444 68 E N 0.130 120.302 120.200 -0.047 0.000 2.187 68 E HA -0.220 4.129 4.350 -0.000 0.000 0.199 68 E C 1.752 178.310 176.600 -0.071 0.000 1.004 68 E CA 1.058 57.428 56.400 -0.049 0.000 0.813 68 E CB -0.249 29.429 29.700 -0.037 0.000 0.736 68 E HN 0.504 nan 8.360 nan 0.000 0.468 69 A N 0.766 123.545 122.820 -0.069 0.000 2.248 69 A HA -0.039 4.281 4.320 -0.000 0.000 0.210 69 A C 1.046 178.583 177.584 -0.079 0.000 1.174 69 A CA 0.599 52.589 52.037 -0.078 0.000 0.750 69 A CB -0.191 18.771 19.000 -0.065 0.000 0.780 69 A HN 0.095 nan 8.150 nan 0.000 0.478 70 L N -0.065 121.111 121.223 -0.078 0.000 2.445 70 L HA 0.315 4.655 4.340 -0.000 0.000 0.252 70 L C 0.366 177.176 176.870 -0.101 0.000 1.105 70 L CA -0.241 54.554 54.840 -0.074 0.000 0.943 70 L CB 1.373 43.388 42.059 -0.074 0.000 1.277 70 L HN 0.136 nan 8.230 nan 0.000 0.465 71 S N -0.617 114.995 115.700 -0.146 0.000 2.631 71 S HA 0.156 4.626 4.470 -0.000 0.000 0.246 71 S C 0.641 174.984 174.600 -0.428 0.000 1.068 71 S CA -0.074 57.952 58.200 -0.290 0.000 0.995 71 S CB 0.344 63.310 63.200 -0.390 0.000 0.944 71 S HN 0.459 nan 8.310 nan 0.000 0.529 72 Y N 3.115 123.365 120.300 -0.083 0.000 2.625 72 Y HA 0.298 4.847 4.550 -0.000 0.000 0.285 72 Y C 0.233 176.120 175.900 -0.021 0.000 1.168 72 Y CA -0.291 57.791 58.100 -0.030 0.000 1.250 72 Y CB -0.023 38.413 38.460 -0.041 0.000 1.130 72 Y HN 0.055 nan 8.280 nan 0.000 0.526 73 T N 1.519 116.084 114.554 0.019 0.000 2.788 73 T HA 0.284 4.634 4.350 -0.000 0.000 0.296 73 T C -2.783 171.909 174.700 -0.014 0.000 1.009 73 T CA -2.219 59.886 62.100 0.009 0.000 0.949 73 T CB 1.514 70.369 68.868 -0.022 0.000 0.946 73 T HN -0.074 nan 8.240 nan 0.000 0.453 74 P HA 0.224 nan 4.420 nan 0.000 0.265 74 P C 0.973 178.260 177.300 -0.021 0.000 1.193 74 P CA 0.597 63.694 63.100 -0.005 0.000 0.765 74 P CB 0.545 32.264 31.700 0.031 0.000 0.823 75 G N 0.913 109.688 108.800 -0.041 0.000 2.141 75 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.242 75 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.242 75 G C -0.279 174.578 174.900 -0.072 0.000 0.982 75 G CA -0.079 44.998 45.100 -0.039 0.000 0.662 75 G HN 0.591 nan 8.290 nan 0.000 0.527 76 V N 0.305 120.172 119.914 -0.079 0.000 2.686 76 V HA 0.786 4.906 4.120 -0.000 0.000 0.306 76 V C 0.308 176.352 176.094 -0.085 0.000 1.065 76 V CA -0.069 62.178 62.300 -0.089 0.000 0.894 76 V CB 1.771 33.542 31.823 -0.087 0.000 1.004 76 V HN 0.536 nan 8.190 nan 0.000 0.424 77 S N 2.327 117.977 115.700 -0.082 0.000 2.690 77 S HA 0.730 5.200 4.470 -0.000 0.000 0.291 77 S C 0.371 174.946 174.600 -0.041 0.000 1.138 77 S CA 0.224 58.390 58.200 -0.057 0.000 1.013 77 S CB 1.845 65.014 63.200 -0.052 0.000 1.053 77 S HN 1.465 nan 8.310 nan 0.000 0.539 78 V N 0.138 120.048 119.914 -0.007 0.000 3.509 78 V HA 0.508 4.628 4.120 -0.000 0.000 0.286 78 V C 0.802 176.911 176.094 0.025 0.000 1.618 78 V CA 0.574 62.872 62.300 -0.003 0.000 1.088 78 V CB 0.047 31.858 31.823 -0.020 0.000 0.909 78 V HN 0.796 nan 8.190 nan 0.000 0.429 79 G N 1.149 109.985 108.800 0.060 0.000 3.371 79 G HA2 0.154 4.114 3.960 -0.000 0.000 0.248 79 G HA3 0.154 4.114 3.960 -0.000 0.000 0.248 79 G C 0.878 175.815 174.900 0.062 0.000 1.161 79 G CA 0.828 45.978 45.100 0.083 0.000 0.796 79 G HN 0.540 nan 8.290 nan 0.000 0.539 80 T N -0.960 113.613 114.554 0.031 0.000 3.219 80 T HA 0.002 4.352 4.350 -0.000 0.000 0.264 80 T C 1.533 176.119 174.700 -0.189 0.000 1.178 80 T CA 0.596 62.702 62.100 0.009 0.000 1.057 80 T CB 0.169 69.072 68.868 0.059 0.000 0.919 80 T HN 0.279 nan 8.240 nan 0.000 0.545 81 R N -0.324 120.009 120.500 -0.278 0.000 2.508 81 R HA 0.399 4.738 4.340 -0.000 0.000 0.420 81 R C 1.112 177.194 176.300 -0.364 0.000 0.866 81 R CA 0.474 56.117 56.100 -0.762 0.000 1.103 81 R CB -0.162 29.826 30.300 -0.521 0.000 1.657 81 R HN 0.292 nan 8.270 nan 0.000 0.562 82 G N 0.785 109.557 108.800 -0.046 0.000 2.614 82 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.303 82 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.303 82 G C 0.910 175.823 174.900 0.023 0.000 1.270 82 G CA 0.459 45.598 45.100 0.065 0.000 0.988 82 G HN 0.567 nan 8.290 nan 0.000 0.551 83 A N -0.202 122.654 122.820 0.060 0.000 2.239 83 A HA 0.493 4.812 4.320 -0.000 0.000 0.209 83 A C 1.749 179.369 177.584 0.060 0.000 1.171 83 A CA 2.013 54.075 52.037 0.042 0.000 0.768 83 A CB -0.545 18.476 19.000 0.035 0.000 0.790 83 A HN 2.167 nan 8.150 nan 0.000 0.478 84 S N -0.014 115.732 115.700 0.077 0.000 2.565 84 S HA 0.231 4.701 4.470 -0.000 0.000 0.276 84 S C 0.448 175.044 174.600 -0.007 0.000 1.326 84 S CA -0.499 57.739 58.200 0.065 0.000 1.045 84 S CB 0.340 63.589 63.200 0.081 0.000 0.918 84 S HN 0.391 nan 8.310 nan 0.000 0.505 85 N N 2.060 120.729 118.700 -0.052 0.000 2.200 85 N HA 0.084 4.824 4.740 -0.000 0.000 0.224 85 N C 1.071 176.456 175.510 -0.209 0.000 1.179 85 N CA 0.367 53.358 53.050 -0.097 0.000 0.877 85 N CB 0.342 38.778 38.487 -0.086 0.000 1.072 85 N HN 0.783 nan 8.380 nan 0.000 0.519 86 T N -0.743 113.605 114.554 -0.343 0.000 2.721 86 T HA -0.155 4.194 4.350 -0.000 0.000 0.268 86 T C 0.288 174.472 174.700 -0.860 0.000 1.038 86 T CA 1.528 63.174 62.100 -0.756 0.000 1.145 86 T CB -0.207 67.893 68.868 -1.278 0.000 0.858 86 T HN 0.162 nan 8.240 nan 0.000 0.459 87 Y N 0.038 120.224 120.300 -0.190 0.000 2.512 87 Y HA 0.437 4.987 4.550 -0.000 0.000 0.348 87 Y C -0.517 175.350 175.900 -0.055 0.000 0.990 87 Y CA -1.881 56.149 58.100 -0.117 0.000 1.033 87 Y CB 1.414 39.819 38.460 -0.093 0.000 1.259 87 Y HN -0.130 nan 8.280 nan 0.000 0.461 88 D N 0.853 121.325 120.400 0.119 0.000 3.057 88 D HA -0.009 4.630 4.640 -0.000 0.000 0.246 88 D C -0.255 176.071 176.300 0.045 0.000 1.238 88 D CA 0.163 54.185 54.000 0.037 0.000 0.949 88 D CB -0.435 40.352 40.800 -0.021 0.000 1.086 88 D HN 0.459 nan 8.370 nan 0.000 0.487 89 H N 1.605 120.673 119.070 -0.003 0.000 2.742 89 H HA 0.255 4.811 4.556 -0.000 0.000 0.302 89 H C -0.593 174.693 175.328 -0.071 0.000 1.069 89 H CA 0.051 56.065 56.048 -0.057 0.000 1.446 89 H CB 0.493 30.210 29.762 -0.076 0.000 1.462 89 H HN 0.112 nan 8.280 nan 0.000 0.499 90 L N 5.942 126.927 121.223 -0.398 0.000 2.319 90 L HA 0.446 4.786 4.340 -0.000 0.000 0.267 90 L C 0.088 176.752 176.870 -0.343 0.000 1.011 90 L CA -1.057 53.622 54.840 -0.268 0.000 0.818 90 L CB 2.286 44.233 42.059 -0.187 0.000 1.316 90 L HN 0.539 nan 8.230 nan 0.000 0.432 91 I N 3.082 123.541 120.570 -0.186 0.000 2.428 91 I HA 0.343 4.513 4.170 -0.000 0.000 0.279 91 I C -0.491 175.540 176.117 -0.143 0.000 1.040 91 I CA -0.224 60.978 61.300 -0.163 0.000 1.171 91 I CB 1.203 39.135 38.000 -0.115 0.000 1.312 91 I HN 0.396 nan 8.210 nan 0.000 0.470 92 I N 6.126 126.612 120.570 -0.140 0.000 2.325 92 I HA 0.241 4.411 4.170 -0.000 0.000 0.291 92 I C 0.980 177.037 176.117 -0.100 0.000 1.019 92 I CA -0.363 60.864 61.300 -0.122 0.000 1.302 92 I CB 0.563 38.483 38.000 -0.135 0.000 1.401 92 I HN 0.580 nan 8.210 nan 0.000 0.485 93 R N 4.766 125.204 120.500 -0.104 0.000 3.770 93 R HA -0.212 4.128 4.340 -0.000 0.000 0.305 93 R C 0.920 177.129 176.300 -0.152 0.000 1.184 93 R CA 0.855 56.901 56.100 -0.089 0.000 0.823 93 R CB -1.621 28.585 30.300 -0.156 0.000 1.285 93 R HN 1.155 nan 8.270 nan 0.000 0.499 94 G N -2.743 105.907 108.800 -0.251 0.000 2.162 94 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.260 94 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.260 94 G C 0.026 174.480 174.900 -0.744 0.000 0.976 94 G CA 0.522 45.334 45.100 -0.479 0.000 0.655 94 G HN 0.309 nan 8.290 nan 0.000 0.533 95 F N 0.319 120.168 119.950 -0.168 0.000 2.579 95 F HA 0.868 5.395 4.527 -0.000 0.000 0.324 95 F C 0.428 176.123 175.800 -0.175 0.000 1.058 95 F CA -0.279 57.620 58.000 -0.167 0.000 0.944 95 F CB 2.332 41.226 39.000 -0.177 0.000 1.245 95 F HN 0.545 nan 8.300 nan 0.000 0.477 96 A N 0.478 123.337 122.820 0.065 0.000 2.586 96 A HA 0.806 5.126 4.320 -0.000 0.000 0.290 96 A C -1.284 176.272 177.584 -0.046 0.000 1.086 96 A CA -0.504 51.492 52.037 -0.070 0.000 0.665 96 A CB 0.419 19.330 19.000 -0.147 0.000 1.279 96 A HN 1.209 nan 8.150 nan 0.000 0.423 97 A N 0.498 123.260 122.820 -0.096 0.000 2.492 97 A HA 0.481 4.801 4.320 -0.000 0.000 0.236 97 A C 0.258 177.825 177.584 -0.028 0.000 1.078 97 A CA 0.087 52.080 52.037 -0.072 0.000 0.773 97 A CB -0.127 18.817 19.000 -0.093 0.000 1.023 97 A HN 0.669 nan 8.150 nan 0.000 0.504 98 E N 0.170 120.353 120.200 -0.029 0.000 2.354 98 E HA 0.363 4.713 4.350 -0.000 0.000 0.269 98 E C 0.949 177.533 176.600 -0.026 0.000 1.036 98 E CA 1.050 57.442 56.400 -0.014 0.000 0.876 98 E CB 0.651 30.350 29.700 -0.001 0.000 1.009 98 E HN 1.488 nan 8.360 nan 0.000 0.416 99 G N 3.251 112.027 108.800 -0.039 0.000 2.246 99 G HA2 -0.345 3.614 3.960 -0.000 0.000 0.273 99 G HA3 -0.345 3.614 3.960 -0.000 0.000 0.273 99 G C 0.426 175.229 174.900 -0.162 0.000 1.055 99 G CA 0.456 45.506 45.100 -0.083 0.000 0.851 99 G HN 0.527 nan 8.290 nan 0.000 0.500 100 Q N -2.347 117.360 119.800 -0.154 0.000 2.461 100 Q HA -0.253 4.087 4.340 -0.000 0.000 0.264 100 Q C 1.130 177.020 176.000 -0.183 0.000 1.085 100 Q CA 1.667 57.330 55.803 -0.233 0.000 1.006 100 Q CB -2.166 26.310 28.738 -0.437 0.000 1.437 100 Q HN 1.795 nan 8.270 nan 0.000 0.514 101 S N -1.535 114.107 115.700 -0.097 0.000 2.693 101 S HA 0.557 5.027 4.470 -0.000 0.000 0.276 101 S C 0.536 175.107 174.600 -0.048 0.000 1.192 101 S CA -0.819 57.306 58.200 -0.124 0.000 0.994 101 S CB 1.911 65.048 63.200 -0.105 0.000 1.012 101 S HN 0.252 nan 8.310 nan 0.000 0.550 102 Q N 0.367 120.109 119.800 -0.097 0.000 2.225 102 Q HA 0.405 4.745 4.340 -0.000 0.000 0.177 102 Q C -0.532 175.380 176.000 -0.146 0.000 1.073 102 Q CA -0.477 55.256 55.803 -0.117 0.000 1.134 102 Q CB 0.148 28.829 28.738 -0.094 0.000 1.210 102 Q HN 0.782 nan 8.270 nan 0.000 0.599 103 N N -0.183 118.426 118.700 -0.153 0.000 2.820 103 N HA 0.150 4.890 4.740 -0.000 0.000 0.209 103 N C -2.049 173.410 175.510 -0.085 0.000 1.406 103 N CA -0.043 52.931 53.050 -0.128 0.000 0.916 103 N CB 0.165 38.581 38.487 -0.118 0.000 1.532 103 N HN 0.331 nan 8.380 nan 0.000 0.559 104 N N 0.598 119.213 118.700 -0.142 0.000 2.362 104 N HA 0.414 5.154 4.740 -0.000 0.000 0.298 104 N C -1.361 174.025 175.510 -0.206 0.000 1.048 104 N CA -0.020 52.965 53.050 -0.108 0.000 0.858 104 N CB 0.810 39.220 38.487 -0.128 0.000 1.218 104 N HN 0.170 nan 8.380 nan 0.000 0.488 105 Y N 0.486 120.650 120.300 -0.226 0.000 2.468 105 Y HA 0.578 5.127 4.550 -0.000 0.000 0.342 105 Y C -0.374 175.411 175.900 -0.191 0.000 1.021 105 Y CA -1.056 56.910 58.100 -0.223 0.000 1.079 105 Y CB 1.700 39.983 38.460 -0.295 0.000 1.226 105 Y HN 0.314 nan 8.280 nan 0.000 0.460 106 L N 3.808 125.002 121.223 -0.048 0.000 2.427 106 L HA 0.499 4.839 4.340 -0.000 0.000 0.264 106 L C -1.047 175.803 176.870 -0.035 0.000 0.989 106 L CA -0.642 54.146 54.840 -0.087 0.000 0.865 106 L CB 0.467 42.421 42.059 -0.175 0.000 1.209 106 L HN 0.819 nan 8.230 nan 0.000 0.430 107 N N 3.588 122.297 118.700 0.014 0.000 2.725 107 N HA -0.127 4.613 4.740 -0.000 0.000 0.256 107 N C 0.875 176.464 175.510 0.132 0.000 1.087 107 N CA 0.702 53.801 53.050 0.081 0.000 0.690 107 N CB -1.307 37.206 38.487 0.043 0.000 0.891 107 N HN 1.274 nan 8.380 nan 0.000 0.553 108 G N -1.002 107.904 108.800 0.176 0.000 2.200 108 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.267 108 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.267 108 G C -0.042 175.043 174.900 0.308 0.000 0.993 108 G CA 0.934 46.203 45.100 0.282 0.000 0.701 108 G HN 0.492 nan 8.290 nan 0.000 0.524 109 L N -0.815 120.538 121.223 0.216 0.000 2.401 109 L HA 0.535 4.875 4.340 -0.000 0.000 0.266 109 L C 0.299 177.125 176.870 -0.074 0.000 0.991 109 L CA -1.064 53.830 54.840 0.090 0.000 0.818 109 L CB 2.159 44.187 42.059 -0.052 0.000 1.321 109 L HN 0.088 nan 8.230 nan 0.000 0.413 110 K N 2.432 122.618 120.400 -0.356 0.000 2.174 110 K HA 0.412 4.731 4.320 -0.000 0.000 0.275 110 K C -0.494 175.784 176.600 -0.536 0.000 1.015 110 K CA -0.555 55.160 56.287 -0.953 0.000 0.933 110 K CB 1.042 32.740 32.500 -1.336 0.000 1.025 110 K HN 0.567 nan 8.250 nan 0.000 0.463 111 L N 4.724 125.647 121.223 -0.501 0.000 2.423 111 L HA 0.089 4.429 4.340 -0.000 0.000 0.249 111 L C -0.038 176.660 176.870 -0.286 0.000 1.276 111 L CA -0.394 54.255 54.840 -0.319 0.000 1.199 111 L CB 0.139 42.040 42.059 -0.263 0.000 1.407 111 L HN 0.603 nan 8.230 nan 0.000 0.410 112 Q N 1.246 120.883 119.800 -0.273 0.000 2.289 112 Q HA 0.391 4.731 4.340 -0.000 0.000 0.273 112 Q C 0.181 176.103 176.000 -0.131 0.000 1.029 112 Q CA 0.259 55.939 55.803 -0.205 0.000 0.896 112 Q CB 1.359 29.989 28.738 -0.180 0.000 1.182 112 Q HN 0.475 nan 8.270 nan 0.000 0.385 113 G N 2.968 111.709 108.800 -0.099 0.000 3.175 113 G HA2 0.582 4.542 3.960 -0.000 0.000 0.255 113 G HA3 0.582 4.542 3.960 -0.000 0.000 0.255 113 G C -1.263 173.629 174.900 -0.013 0.000 1.352 113 G CA -0.577 44.497 45.100 -0.043 0.000 1.037 113 G HN 0.777 nan 8.290 nan 0.000 0.556 114 N N -1.681 117.041 118.700 0.037 0.000 3.134 114 N HA 0.231 4.970 4.740 -0.000 0.000 0.235 114 N C -0.478 175.157 175.510 0.209 0.000 1.092 114 N CA -0.378 52.725 53.050 0.089 0.000 1.038 114 N CB 1.390 39.930 38.487 0.088 0.000 1.684 114 N HN 0.597 nan 8.380 nan 0.000 0.551 115 F N 1.794 121.719 119.950 -0.042 0.000 2.182 115 F HA -0.373 4.154 4.527 -0.000 0.000 0.318 115 F C 0.394 176.117 175.800 -0.129 0.000 0.130 115 F CA 1.408 59.367 58.000 -0.067 0.000 0.911 115 F CB -0.706 38.365 39.000 0.118 0.000 4.132 115 F HN 0.658 nan 8.300 nan 0.000 0.139 116 Y N 0.544 120.890 120.300 0.076 0.000 2.572 116 Y HA 0.070 4.620 4.550 -0.000 0.000 0.340 116 Y C 1.078 177.109 175.900 0.219 0.000 1.224 116 Y CA 0.869 59.026 58.100 0.096 0.000 1.260 116 Y CB -0.751 37.806 38.460 0.162 0.000 1.078 116 Y HN 0.231 nan 8.280 nan 0.000 0.491 117 N N 1.373 120.236 118.700 0.271 0.000 3.044 117 N HA 0.092 4.832 4.740 -0.000 0.000 0.254 117 N C -1.624 173.970 175.510 0.140 0.000 1.253 117 N CA -0.106 53.079 53.050 0.225 0.000 0.944 117 N CB 0.072 38.674 38.487 0.191 0.000 1.217 117 N HN 0.078 nan 8.380 nan 0.000 0.498 118 D N 0.368 120.890 120.400 0.203 0.000 2.498 118 D HA 0.466 5.106 4.640 -0.000 0.000 0.247 118 D C -0.543 175.855 176.300 0.163 0.000 1.070 118 D CA -0.365 53.713 54.000 0.131 0.000 0.842 118 D CB 2.284 43.121 40.800 0.062 0.000 1.361 118 D HN 0.372 nan 8.370 nan 0.000 0.484 119 A N 1.248 124.096 122.820 0.046 0.000 2.269 119 A HA 0.789 5.108 4.320 -0.000 0.000 0.319 119 A C -0.207 177.363 177.584 -0.024 0.000 1.110 119 A CA -0.492 51.548 52.037 0.006 0.000 0.847 119 A CB 1.028 20.002 19.000 -0.044 0.000 1.161 119 A HN 0.407 nan 8.150 nan 0.000 0.497 120 V N -1.466 118.420 119.914 -0.046 0.000 3.049 120 V HA 0.730 4.850 4.120 -0.000 0.000 0.309 120 V C -1.110 174.911 176.094 -0.121 0.000 1.148 120 V CA -0.923 61.330 62.300 -0.080 0.000 0.990 120 V CB 1.712 33.497 31.823 -0.064 0.000 1.039 120 V HN 0.657 nan 8.190 nan 0.000 0.430 121 I N 2.105 122.554 120.570 -0.202 0.000 2.474 121 I HA 0.483 4.653 4.170 -0.000 0.000 0.294 121 I C 0.035 176.090 176.117 -0.104 0.000 1.005 121 I CA -0.145 60.942 61.300 -0.355 0.000 1.113 121 I CB 1.581 39.227 38.000 -0.589 0.000 1.289 121 I HN 0.879 nan 8.210 nan 0.000 0.436 122 D N 7.185 127.643 120.400 0.097 0.000 2.414 122 D HA 0.107 4.746 4.640 -0.000 0.000 0.242 122 D C -1.741 174.588 176.300 0.049 0.000 1.129 122 D CA -1.292 52.764 54.000 0.095 0.000 0.885 122 D CB 2.152 43.054 40.800 0.170 0.000 1.198 122 D HN 0.200 nan 8.370 nan 0.000 0.437 123 P HA -0.142 nan 4.420 nan 0.000 0.219 123 P C 0.914 178.252 177.300 0.062 0.000 1.146 123 P CA 0.817 63.926 63.100 0.015 0.000 0.808 123 P CB -0.055 31.646 31.700 0.003 0.000 0.779 124 Y N -0.208 120.063 120.300 -0.048 0.000 2.616 124 Y HA -0.029 4.521 4.550 -0.000 0.000 0.296 124 Y C 1.476 177.340 175.900 -0.059 0.000 1.154 124 Y CA 0.922 58.985 58.100 -0.062 0.000 1.325 124 Y CB -0.345 38.069 38.460 -0.077 0.000 1.007 124 Y HN -0.087 nan 8.280 nan 0.000 0.542 125 M N -0.432 119.148 119.600 -0.032 0.000 2.313 125 M HA 0.244 4.724 4.480 -0.000 0.000 0.273 125 M C -0.373 175.868 176.300 -0.099 0.000 1.049 125 M CA 0.197 55.447 55.300 -0.084 0.000 1.004 125 M CB -0.227 32.453 32.600 0.133 0.000 1.461 125 M HN -0.063 nan 8.290 nan 0.000 0.514 126 L N 0.875 122.041 121.223 -0.095 0.000 2.343 126 L HA 0.231 4.571 4.340 -0.000 0.000 0.275 126 L C 1.515 178.328 176.870 -0.093 0.000 1.056 126 L CA -0.175 54.609 54.840 -0.095 0.000 0.804 126 L CB 1.666 43.673 42.059 -0.086 0.000 1.203 126 L HN 0.043 nan 8.230 nan 0.000 0.440 127 E N 2.377 122.531 120.200 -0.077 0.000 2.102 127 E HA 0.042 4.392 4.350 -0.000 0.000 0.190 127 E C -0.197 176.366 176.600 -0.062 0.000 0.971 127 E CA 0.762 57.124 56.400 -0.064 0.000 0.821 127 E CB 0.544 30.220 29.700 -0.040 0.000 0.777 127 E HN 0.579 nan 8.360 nan 0.000 0.460 128 R N -1.445 119.015 120.500 -0.068 0.000 2.664 128 R HA 0.741 5.081 4.340 -0.000 0.000 0.266 128 R C -1.539 174.711 176.300 -0.083 0.000 1.046 128 R CA -0.573 55.483 56.100 -0.073 0.000 0.885 128 R CB 0.927 31.180 30.300 -0.079 0.000 1.254 128 R HN -0.002 nan 8.270 nan 0.000 0.465 129 A N 1.677 124.446 122.820 -0.085 0.000 2.304 129 A HA 0.520 4.839 4.320 -0.000 0.000 0.314 129 A C -0.725 176.798 177.584 -0.101 0.000 1.187 129 A CA -0.702 51.279 52.037 -0.093 0.000 0.810 129 A CB 1.091 20.040 19.000 -0.086 0.000 1.183 129 A HN 0.714 nan 8.150 nan 0.000 0.487 130 E N 1.661 121.791 120.200 -0.117 0.000 2.207 130 E HA 0.616 4.966 4.350 -0.000 0.000 0.270 130 E C -1.279 175.235 176.600 -0.143 0.000 0.927 130 E CA -0.549 55.772 56.400 -0.130 0.000 0.799 130 E CB 2.438 32.048 29.700 -0.151 0.000 1.172 130 E HN 0.597 nan 8.360 nan 0.000 0.404 131 I N 2.551 123.037 120.570 -0.139 0.000 2.499 131 I HA 0.292 4.462 4.170 -0.000 0.000 0.288 131 I C -0.737 175.283 176.117 -0.161 0.000 1.048 131 I CA -0.560 60.650 61.300 -0.151 0.000 1.062 131 I CB 1.735 39.660 38.000 -0.124 0.000 1.238 131 I HN 0.375 nan 8.210 nan 0.000 0.426 132 M N 6.802 126.283 119.600 -0.200 0.000 2.114 132 M HA 0.467 4.947 4.480 -0.000 0.000 0.332 132 M C -0.782 175.398 176.300 -0.200 0.000 1.014 132 M CA -0.468 54.713 55.300 -0.199 0.000 0.956 132 M CB 0.847 33.306 32.600 -0.234 0.000 1.551 132 M HN 0.483 nan 8.290 nan 0.000 0.427 133 R N 3.082 123.479 120.500 -0.172 0.000 2.357 133 R HA 0.751 5.091 4.340 -0.000 0.000 0.296 133 R C 0.210 176.371 176.300 -0.231 0.000 1.052 133 R CA 0.274 56.259 56.100 -0.191 0.000 0.988 133 R CB 1.257 31.465 30.300 -0.154 0.000 1.025 133 R HN 1.000 nan 8.270 nan 0.000 0.469 134 G N 3.155 111.786 108.800 -0.282 0.000 2.655 134 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.680 134 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.680 134 G C -2.892 171.825 174.900 -0.305 0.000 1.302 134 G CA -1.364 43.548 45.100 -0.313 0.000 0.872 134 G HN 0.366 nan 8.290 nan 0.000 0.540 135 P HA 0.304 nan 4.420 nan 0.000 0.265 135 P C 0.993 178.118 177.300 -0.291 0.000 1.193 135 P CA 0.777 63.676 63.100 -0.335 0.000 0.765 135 P CB 0.967 32.428 31.700 -0.398 0.000 0.823 136 V N -0.496 119.264 119.914 -0.256 0.000 3.398 136 V HA 0.116 4.236 4.120 -0.000 0.000 0.298 136 V C 1.432 177.453 176.094 -0.122 0.000 1.496 136 V CA 0.480 62.672 62.300 -0.180 0.000 1.044 136 V CB -0.214 31.477 31.823 -0.219 0.000 0.880 136 V HN 0.261 nan 8.190 nan 0.000 0.443 137 S N 0.849 116.438 115.700 -0.185 0.000 2.419 137 S HA -0.150 4.320 4.470 -0.000 0.000 0.235 137 S C 1.877 176.399 174.600 -0.130 0.000 1.019 137 S CA 1.726 59.841 58.200 -0.140 0.000 0.982 137 S CB -0.048 63.089 63.200 -0.106 0.000 0.789 137 S HN 0.544 nan 8.310 nan 0.000 0.490 138 V N 0.800 120.599 119.914 -0.192 0.000 2.546 138 V HA -0.109 4.011 4.120 -0.000 0.000 0.254 138 V C 1.257 177.198 176.094 -0.255 0.000 1.076 138 V CA 1.714 63.891 62.300 -0.204 0.000 1.087 138 V CB -0.183 31.514 31.823 -0.211 0.000 0.674 138 V HN 0.506 nan 8.190 nan 0.000 0.470 139 L N -3.064 117.922 121.223 -0.395 0.000 3.174 139 L HA 0.243 4.583 4.340 -0.000 0.000 0.283 139 L C 1.092 177.340 176.870 -1.037 0.000 1.187 139 L CA 0.061 54.412 54.840 -0.815 0.000 1.018 139 L CB 0.501 42.037 42.059 -0.870 0.000 1.433 139 L HN 0.262 nan 8.230 nan 0.000 0.593 140 Y N -0.336 119.765 120.300 -0.331 0.000 2.432 140 Y HA 0.554 5.104 4.550 -0.000 0.000 0.252 140 Y C 1.387 177.227 175.900 -0.100 0.000 1.097 140 Y CA 0.143 58.107 58.100 -0.228 0.000 1.250 140 Y CB 0.971 39.245 38.460 -0.310 0.000 1.245 140 Y HN 0.066 nan 8.280 nan 0.000 0.522 141 G N 1.501 110.315 108.800 0.023 0.000 2.472 141 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.205 141 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.205 141 G C -0.751 173.917 174.900 -0.387 0.000 1.270 141 G CA -0.660 44.468 45.100 0.047 0.000 0.974 141 G HN 0.287 nan 8.290 nan 0.000 0.542 142 K N -0.616 119.398 120.400 -0.642 0.000 2.511 142 K HA 0.487 4.807 4.320 -0.000 0.000 0.280 142 K C -0.071 176.174 176.600 -0.591 0.000 1.008 142 K CA 0.848 56.402 56.287 -1.223 0.000 1.050 142 K CB 0.929 33.051 32.500 -0.630 0.000 0.889 142 K HN 1.337 nan 8.250 nan 0.000 0.484 143 S N 2.042 117.386 115.700 -0.594 0.000 2.543 143 S HA 0.151 4.621 4.470 -0.000 0.000 0.274 143 S C -1.065 173.354 174.600 -0.301 0.000 1.149 143 S CA -0.758 57.242 58.200 -0.332 0.000 0.866 143 S CB 1.689 64.732 63.200 -0.261 0.000 1.111 143 S HN 0.773 nan 8.310 nan 0.000 0.457 144 S N 3.068 118.632 115.700 -0.227 0.000 2.558 144 S HA 0.300 4.770 4.470 -0.000 0.000 0.291 144 S C -2.500 171.938 174.600 -0.270 0.000 1.306 144 S CA -0.358 57.715 58.200 -0.212 0.000 1.056 144 S CB -0.097 63.011 63.200 -0.153 0.000 0.836 144 S HN 0.500 nan 8.310 nan 0.000 0.504 145 P HA 0.155 nan 4.420 nan 0.000 0.262 145 P C 0.186 177.254 177.300 -0.387 0.000 1.182 145 P CA 0.960 63.773 63.100 -0.479 0.000 0.761 145 P CB 0.022 31.207 31.700 -0.858 0.000 0.795 146 G N 2.569 111.160 108.800 -0.348 0.000 2.222 146 G HA2 0.160 4.119 3.960 -0.000 0.000 0.234 146 G HA3 0.160 4.119 3.960 -0.000 0.000 0.234 146 G C 0.260 175.031 174.900 -0.215 0.000 0.698 146 G CA 0.026 44.956 45.100 -0.284 0.000 1.094 146 G HN 0.944 nan 8.290 nan 0.000 0.316 147 G N 0.265 108.927 108.800 -0.229 0.000 1.837 147 G HA2 0.532 4.491 3.960 -0.000 0.000 0.207 147 G HA3 0.532 4.491 3.960 -0.000 0.000 0.207 147 G C -0.950 173.813 174.900 -0.227 0.000 1.659 147 G CA -0.187 44.790 45.100 -0.205 0.000 0.956 147 G HN 1.497 nan 8.290 nan 0.000 0.655 148 L N 2.438 123.510 121.223 -0.252 0.000 2.466 148 L HA 0.915 5.254 4.340 -0.000 0.000 0.258 148 L C -1.562 175.157 176.870 -0.251 0.000 0.973 148 L CA -1.349 53.312 54.840 -0.299 0.000 0.826 148 L CB 2.274 44.029 42.059 -0.506 0.000 1.372 148 L HN 0.651 nan 8.230 nan 0.000 0.409 149 L N 3.836 124.950 121.223 -0.181 0.000 2.362 149 L HA 0.633 4.973 4.340 -0.000 0.000 0.275 149 L C -1.403 175.391 176.870 -0.125 0.000 0.998 149 L CA 0.038 54.788 54.840 -0.150 0.000 0.820 149 L CB 1.711 43.700 42.059 -0.115 0.000 1.270 149 L HN 0.668 nan 8.230 nan 0.000 0.415 150 N N 4.940 123.550 118.700 -0.151 0.000 2.410 150 N HA 0.582 5.322 4.740 -0.000 0.000 0.287 150 N C -1.479 173.968 175.510 -0.105 0.000 1.044 150 N CA -0.381 52.600 53.050 -0.114 0.000 0.881 150 N CB 1.436 39.818 38.487 -0.175 0.000 1.405 150 N HN 0.675 nan 8.380 nan 0.000 0.490 151 M N 1.710 121.256 119.600 -0.091 0.000 2.423 151 M HA 0.472 4.952 4.480 -0.000 0.000 0.335 151 M C -0.582 175.670 176.300 -0.080 0.000 1.177 151 M CA -1.042 54.197 55.300 -0.101 0.000 1.038 151 M CB 1.898 34.420 32.600 -0.130 0.000 1.641 151 M HN 0.106 nan 8.290 nan 0.000 0.455 152 V N 1.918 121.789 119.914 -0.071 0.000 2.378 152 V HA 0.276 4.396 4.120 -0.000 0.000 0.288 152 V C -0.086 175.981 176.094 -0.046 0.000 1.016 152 V CA -0.782 61.499 62.300 -0.031 0.000 0.840 152 V CB 1.300 33.114 31.823 -0.016 0.000 0.994 152 V HN 0.983 nan 8.190 nan 0.000 0.431 153 S N 3.978 119.650 115.700 -0.046 0.000 2.560 153 S HA 0.150 4.620 4.470 -0.000 0.000 0.276 153 S C 0.158 174.733 174.600 -0.041 0.000 1.350 153 S CA -0.276 57.886 58.200 -0.063 0.000 1.024 153 S CB 0.424 63.586 63.200 -0.063 0.000 0.864 153 S HN 0.656 nan 8.310 nan 0.000 0.536 154 K N 1.221 121.586 120.400 -0.058 0.000 2.185 154 K HA 0.333 4.653 4.320 -0.000 0.000 0.271 154 K C 0.309 176.891 176.600 -0.030 0.000 1.013 154 K CA -0.191 56.061 56.287 -0.059 0.000 0.943 154 K CB 0.611 33.046 32.500 -0.108 0.000 0.998 154 K HN 0.478 nan 8.250 nan 0.000 0.468 155 R N 2.022 122.512 120.500 -0.016 0.000 2.923 155 R HA 0.386 4.726 4.340 -0.000 0.000 0.252 155 R C -2.527 173.766 176.300 -0.011 0.000 1.130 155 R CA -2.232 53.867 56.100 -0.001 0.000 1.043 155 R CB 0.919 31.224 30.300 0.008 0.000 1.205 155 R HN 0.375 nan 8.270 nan 0.000 0.495 156 P HA -0.009 nan 4.420 nan 0.000 0.266 156 P C -0.706 176.573 177.300 -0.035 0.000 1.195 156 P CA 0.452 63.530 63.100 -0.037 0.000 0.768 156 P CB 0.545 32.229 31.700 -0.027 0.000 0.838 157 T N 0.041 114.568 114.554 -0.045 0.000 2.918 157 T HA 0.196 4.546 4.350 -0.000 0.000 0.283 157 T C 1.409 176.097 174.700 -0.020 0.000 1.001 157 T CA -0.528 61.558 62.100 -0.024 0.000 1.041 157 T CB 0.463 69.322 68.868 -0.015 0.000 1.028 157 T HN 0.340 nan 8.240 nan 0.000 0.511 158 T N 0.192 114.741 114.554 -0.007 0.000 2.737 158 T HA -0.018 4.331 4.350 -0.000 0.000 0.265 158 T C 0.546 175.250 174.700 0.006 0.000 1.038 158 T CA 0.987 63.086 62.100 -0.002 0.000 1.144 158 T CB -0.240 68.629 68.868 0.001 0.000 0.866 158 T HN 0.649 nan 8.240 nan 0.000 0.434 159 E N 1.215 121.421 120.200 0.011 0.000 2.232 159 E HA 0.426 4.776 4.350 -0.000 0.000 0.264 159 E C -2.748 173.863 176.600 0.019 0.000 0.973 159 E CA -2.700 53.712 56.400 0.020 0.000 0.849 159 E CB 0.873 30.589 29.700 0.026 0.000 1.198 159 E HN 0.073 nan 8.360 nan 0.000 0.407 160 P HA -0.022 nan 4.420 nan 0.000 0.267 160 P C -1.253 176.074 177.300 0.045 0.000 1.201 160 P CA 0.035 63.151 63.100 0.026 0.000 0.775 160 P CB 0.371 32.091 31.700 0.034 0.000 0.854 161 L N 2.521 123.780 121.223 0.059 0.000 2.439 161 L HA 0.447 4.787 4.340 -0.000 0.000 0.270 161 L C -1.145 175.843 176.870 0.196 0.000 0.972 161 L CA -0.263 54.653 54.840 0.127 0.000 0.836 161 L CB 1.530 43.661 42.059 0.121 0.000 1.255 161 L HN 0.071 nan 8.230 nan 0.000 0.404 162 K N 4.899 125.427 120.400 0.213 0.000 2.527 162 K HA 0.438 4.758 4.320 -0.000 0.000 0.240 162 K C -1.119 175.789 176.600 0.513 0.000 0.989 162 K CA -0.219 56.150 56.287 0.137 0.000 0.985 162 K CB 1.772 34.264 32.500 -0.013 0.000 1.221 162 K HN 0.655 nan 8.250 nan 0.000 0.458 163 E N 1.978 122.674 120.200 0.826 0.000 2.222 163 E HA 0.462 4.812 4.350 -0.000 0.000 0.267 163 E C -1.191 175.703 176.600 0.489 0.000 0.884 163 E CA -0.893 55.843 56.400 0.560 0.000 0.764 163 E CB 2.040 31.946 29.700 0.344 0.000 1.169 163 E HN 0.088 nan 8.360 nan 0.000 0.413 164 V N 3.691 123.835 119.914 0.384 0.000 2.577 164 V HA 0.347 4.467 4.120 -0.000 0.000 0.303 164 V C -0.574 175.432 176.094 -0.147 0.000 1.042 164 V CA -0.808 61.573 62.300 0.136 0.000 0.872 164 V CB 1.692 33.673 31.823 0.263 0.000 0.998 164 V HN 0.669 nan 8.190 nan 0.000 0.423 165 Q N 2.916 122.458 119.800 -0.429 0.000 2.365 165 Q HA 0.724 5.064 4.340 -0.000 0.000 0.269 165 Q C -2.127 173.428 176.000 -0.741 0.000 1.061 165 Q CA -0.597 54.916 55.803 -0.483 0.000 0.816 165 Q CB 2.242 30.777 28.738 -0.339 0.000 1.325 165 Q HN 0.632 nan 8.270 nan 0.000 0.446 166 F N 2.043 121.954 119.950 -0.065 0.000 2.507 166 F HA 0.502 5.029 4.527 -0.000 0.000 0.328 166 F C -0.098 175.703 175.800 0.001 0.000 1.136 166 F CA -0.673 57.322 58.000 -0.007 0.000 0.930 166 F CB 1.715 40.730 39.000 0.025 0.000 1.166 166 F HN 0.293 nan 8.300 nan 0.000 0.436 167 K N 1.913 122.445 120.400 0.219 0.000 2.185 167 K HA 0.975 5.295 4.320 -0.000 0.000 0.240 167 K C -1.086 175.675 176.600 0.268 0.000 0.983 167 K CA -1.326 55.061 56.287 0.166 0.000 0.873 167 K CB 2.293 34.837 32.500 0.073 0.000 1.118 167 K HN 0.666 nan 8.250 nan 0.000 0.441 168 A N 0.589 123.547 122.820 0.230 0.000 2.528 168 A HA 0.574 4.893 4.320 -0.000 0.000 0.306 168 A C -0.922 176.740 177.584 0.130 0.000 1.042 168 A CA -0.348 51.884 52.037 0.326 0.000 0.950 168 A CB 1.030 20.266 19.000 0.392 0.000 1.374 168 A HN 0.774 nan 8.150 nan 0.000 0.387 169 G N 0.279 109.065 108.800 -0.024 0.000 2.721 169 G HA2 0.793 4.752 3.960 -0.000 0.000 0.296 169 G HA3 0.793 4.752 3.960 -0.000 0.000 0.296 169 G C -0.202 174.629 174.900 -0.115 0.000 1.383 169 G CA 0.235 45.312 45.100 -0.038 0.000 0.788 169 G HN 1.212 nan 8.290 nan 0.000 0.500 170 T N 0.081 114.594 114.554 -0.068 0.000 2.855 170 T HA 0.308 4.658 4.350 -0.000 0.000 0.322 170 T C -0.157 174.470 174.700 -0.120 0.000 1.088 170 T CA 0.963 63.019 62.100 -0.074 0.000 1.104 170 T CB 0.317 69.162 68.868 -0.038 0.000 0.996 170 T HN 0.677 nan 8.240 nan 0.000 0.549 171 D N -0.364 119.972 120.400 -0.107 0.000 2.800 171 D HA -0.161 4.479 4.640 -0.000 0.000 0.232 171 D C 0.548 176.732 176.300 -0.192 0.000 1.137 171 D CA 0.977 54.908 54.000 -0.116 0.000 0.718 171 D CB -2.090 38.653 40.800 -0.094 0.000 1.084 171 D HN 0.733 nan 8.370 nan 0.000 0.432 172 S N -1.984 113.551 115.700 -0.275 0.000 3.581 172 S HA -0.269 4.200 4.470 -0.000 0.000 0.354 172 S C 0.337 174.412 174.600 -0.876 0.000 1.059 172 S CA 0.611 58.492 58.200 -0.530 0.000 1.060 172 S CB -0.927 62.137 63.200 -0.226 0.000 0.908 172 S HN 0.574 nan 8.310 nan 0.000 0.475 173 L N 1.739 122.534 121.223 -0.712 0.000 2.410 173 L HA 0.624 4.964 4.340 -0.000 0.000 0.273 173 L C -0.655 175.806 176.870 -0.682 0.000 1.144 173 L CA 0.663 55.195 54.840 -0.514 0.000 0.863 173 L CB -0.094 41.818 42.059 -0.245 0.000 1.140 173 L HN 0.106 nan 8.230 nan 0.000 0.463 174 F N 4.352 124.314 119.950 0.020 0.000 2.730 174 F HA 0.438 4.965 4.527 -0.000 0.000 0.335 174 F C -0.193 175.631 175.800 0.040 0.000 1.212 174 F CA -0.579 57.446 58.000 0.042 0.000 1.016 174 F CB 1.273 40.305 39.000 0.053 0.000 1.290 174 F HN 0.530 nan 8.300 nan 0.000 0.495 175 Q N 1.556 121.484 119.800 0.213 0.000 2.353 175 Q HA 0.684 5.024 4.340 -0.000 0.000 0.268 175 Q C -1.294 174.778 176.000 0.119 0.000 1.045 175 Q CA -0.483 55.383 55.803 0.105 0.000 0.811 175 Q CB 2.481 31.215 28.738 -0.007 0.000 1.305 175 Q HN 0.651 nan 8.270 nan 0.000 0.447 176 T N 2.259 116.871 114.554 0.097 0.000 2.965 176 T HA 0.771 5.120 4.350 -0.000 0.000 0.306 176 T C -0.920 173.774 174.700 -0.009 0.000 0.991 176 T CA -0.106 62.040 62.100 0.077 0.000 1.001 176 T CB 0.745 69.778 68.868 0.275 0.000 0.984 176 T HN 0.749 nan 8.240 nan 0.000 0.446 177 G N 3.287 111.991 108.800 -0.161 0.000 2.725 177 G HA2 0.812 4.772 3.960 -0.000 0.000 0.288 177 G HA3 0.812 4.772 3.960 -0.000 0.000 0.288 177 G C -1.543 173.386 174.900 0.049 0.000 1.399 177 G CA -0.899 44.181 45.100 -0.032 0.000 0.859 177 G HN 0.753 nan 8.290 nan 0.000 0.479 178 F N -1.528 118.379 119.950 -0.072 0.000 2.675 178 F HA 0.874 5.401 4.527 -0.000 0.000 0.324 178 F C -1.606 174.086 175.800 -0.180 0.000 1.106 178 F CA -1.911 55.958 58.000 -0.218 0.000 0.970 178 F CB 2.455 41.073 39.000 -0.636 0.000 1.385 178 F HN 0.416 nan 8.300 nan 0.000 0.489 179 D N 0.892 121.050 120.400 -0.403 0.000 2.318 179 D HA 0.347 4.987 4.640 -0.000 0.000 0.233 179 D C -1.974 174.355 176.300 0.048 0.000 1.348 179 D CA -0.033 53.759 54.000 -0.346 0.000 0.983 179 D CB 0.582 41.209 40.800 -0.289 0.000 1.416 179 D HN 0.343 nan 8.370 nan 0.000 0.558 180 F N 0.999 121.030 119.950 0.136 0.000 2.507 180 F HA 0.790 5.317 4.527 -0.000 0.000 0.327 180 F C 0.568 176.348 175.800 -0.033 0.000 1.068 180 F CA -1.458 56.617 58.000 0.125 0.000 0.965 180 F CB 2.090 41.243 39.000 0.255 0.000 1.192 180 F HN 0.120 nan 8.300 nan 0.000 0.476 181 S N 1.249 116.993 115.700 0.073 0.000 2.570 181 S HA 0.510 4.980 4.470 -0.000 0.000 0.286 181 S C -1.857 172.574 174.600 -0.281 0.000 1.143 181 S CA -0.507 57.513 58.200 -0.301 0.000 0.921 181 S CB 1.268 64.382 63.200 -0.143 0.000 1.108 181 S HN 0.740 nan 8.310 nan 0.000 0.456 182 D N 0.873 120.953 120.400 -0.534 0.000 2.768 182 D HA 0.552 5.192 4.640 -0.000 0.000 0.327 182 D C -1.305 175.034 176.300 0.066 0.000 1.302 182 D CA -0.245 53.699 54.000 -0.094 0.000 0.897 182 D CB 2.302 43.175 40.800 0.122 0.000 1.420 182 D HN 0.482 nan 8.370 nan 0.000 0.494 183 S N 0.245 116.059 115.700 0.191 0.000 2.532 183 S HA 0.410 4.880 4.470 -0.000 0.000 0.301 183 S C 1.396 176.168 174.600 0.286 0.000 1.083 183 S CA -0.623 57.725 58.200 0.246 0.000 1.025 183 S CB 1.756 65.045 63.200 0.149 0.000 1.056 183 S HN 0.358 nan 8.310 nan 0.000 0.494 184 L N 1.284 122.705 121.223 0.331 0.000 2.044 184 L HA 0.008 4.348 4.340 -0.000 0.000 0.205 184 L C 1.195 178.190 176.870 0.209 0.000 1.075 184 L CA 1.033 56.030 54.840 0.262 0.000 0.747 184 L CB -0.271 41.951 42.059 0.273 0.000 0.903 184 L HN 0.721 nan 8.230 nan 0.000 0.435 185 D N -1.358 119.188 120.400 0.243 0.000 2.478 185 D HA 0.028 4.668 4.640 -0.000 0.000 0.263 185 D C -0.188 176.194 176.300 0.137 0.000 1.153 185 D CA -0.438 53.676 54.000 0.190 0.000 1.038 185 D CB 0.979 41.922 40.800 0.237 0.000 1.120 185 D HN -0.059 nan 8.370 nan 0.000 0.564 186 D N -0.685 119.778 120.400 0.105 0.000 2.348 186 D HA -0.030 4.610 4.640 -0.000 0.000 0.211 186 D C 0.556 176.893 176.300 0.062 0.000 0.998 186 D CA 0.441 54.487 54.000 0.077 0.000 0.873 186 D CB 0.238 41.075 40.800 0.062 0.000 0.925 186 D HN 0.361 nan 8.370 nan 0.000 0.524 187 D N -0.026 120.413 120.400 0.064 0.000 2.346 187 D HA 0.086 4.726 4.640 -0.000 0.000 0.206 187 D C 1.468 177.779 176.300 0.019 0.000 1.001 187 D CA 0.516 54.537 54.000 0.035 0.000 0.871 187 D CB 0.907 41.723 40.800 0.027 0.000 0.943 187 D HN 0.229 nan 8.370 nan 0.000 0.518 188 G N 1.480 110.306 108.800 0.043 0.000 2.149 188 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.235 188 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.235 188 G C 0.987 175.863 174.900 -0.040 0.000 1.018 188 G CA 0.451 45.566 45.100 0.024 0.000 0.728 188 G HN 0.360 nan 8.290 nan 0.000 0.508 189 V N -1.067 118.795 119.914 -0.087 0.000 3.041 189 V HA 0.381 4.500 4.120 -0.000 0.000 0.260 189 V C 0.469 176.298 176.094 -0.441 0.000 1.105 189 V CA 1.050 63.166 62.300 -0.306 0.000 1.125 189 V CB -0.258 31.319 31.823 -0.409 0.000 0.730 189 V HN 0.459 nan 8.190 nan 0.000 0.479 190 Y N 0.615 120.994 120.300 0.132 0.000 2.349 190 Y HA 0.653 5.203 4.550 -0.000 0.000 0.324 190 Y C 0.199 176.155 175.900 0.093 0.000 1.005 190 Y CA -0.553 57.608 58.100 0.102 0.000 1.240 190 Y CB 1.580 40.198 38.460 0.263 0.000 1.117 190 Y HN 0.185 nan 8.280 nan 0.000 0.463 191 S N 2.059 117.797 115.700 0.063 0.000 2.704 191 S HA 0.907 5.377 4.470 -0.000 0.000 0.296 191 S C -1.258 173.490 174.600 0.247 0.000 1.138 191 S CA -0.751 57.554 58.200 0.176 0.000 0.875 191 S CB 2.478 65.704 63.200 0.043 0.000 1.151 191 S HN 0.588 nan 8.310 nan 0.000 0.500 192 Y N -1.196 119.221 120.300 0.194 0.000 2.958 192 Y HA 0.857 5.407 4.550 -0.000 0.000 0.315 192 Y C -0.901 175.136 175.900 0.228 0.000 1.541 192 Y CA -1.330 56.956 58.100 0.309 0.000 1.087 192 Y CB 0.671 39.429 38.460 0.497 0.000 1.593 192 Y HN 1.061 nan 8.280 nan 0.000 0.446 193 R N 0.599 121.230 120.500 0.218 0.000 2.664 193 R HA 0.646 4.986 4.340 -0.000 0.000 0.260 193 R C -2.827 173.648 176.300 0.293 0.000 1.062 193 R CA -0.743 55.410 56.100 0.089 0.000 0.902 193 R CB 1.882 32.195 30.300 0.021 0.000 1.258 193 R HN 0.896 nan 8.270 nan 0.000 0.465 194 L N 2.766 124.129 121.223 0.234 0.000 2.568 194 L HA 0.465 4.805 4.340 -0.000 0.000 0.262 194 L C -1.433 175.355 176.870 -0.136 0.000 0.980 194 L CA 0.076 55.041 54.840 0.209 0.000 0.882 194 L CB 2.082 44.415 42.059 0.457 0.000 1.198 194 L HN 0.735 nan 8.230 nan 0.000 0.425 195 T N 1.505 115.881 114.554 -0.295 0.000 2.829 195 T HA 0.947 5.297 4.350 -0.000 0.000 0.282 195 T C 0.128 174.432 174.700 -0.660 0.000 0.990 195 T CA -0.480 61.244 62.100 -0.627 0.000 1.028 195 T CB 1.782 70.385 68.868 -0.442 0.000 0.951 195 T HN 0.799 nan 8.240 nan 0.000 0.460 196 G N 1.482 109.687 108.800 -0.993 0.000 2.698 196 G HA2 0.650 4.610 3.960 -0.000 0.000 0.293 196 G HA3 0.650 4.610 3.960 -0.000 0.000 0.293 196 G C -1.915 172.911 174.900 -0.122 0.000 1.437 196 G CA -1.055 43.801 45.100 -0.406 0.000 0.852 196 G HN 0.959 nan 8.290 nan 0.000 0.499 197 L N -2.042 119.214 121.223 0.053 0.000 2.622 197 L HA 1.001 5.341 4.340 -0.000 0.000 0.258 197 L C -0.448 176.505 176.870 0.138 0.000 0.996 197 L CA -1.554 53.329 54.840 0.072 0.000 0.858 197 L CB 1.641 43.691 42.059 -0.015 0.000 1.449 197 L HN 1.348 nan 8.230 nan 0.000 0.411 198 A N 1.421 124.327 122.820 0.144 0.000 2.375 198 A HA 0.885 5.205 4.320 -0.000 0.000 0.291 198 A C -0.863 176.781 177.584 0.099 0.000 1.160 198 A CA -0.543 51.631 52.037 0.227 0.000 0.747 198 A CB 1.134 20.326 19.000 0.320 0.000 1.170 198 A HN 0.816 nan 8.150 nan 0.000 0.458 199 R N 1.883 122.377 120.500 -0.010 0.000 2.628 199 R HA 0.741 5.081 4.340 -0.000 0.000 0.288 199 R C -1.587 174.664 176.300 -0.083 0.000 0.980 199 R CA -0.057 56.027 56.100 -0.026 0.000 0.891 199 R CB 1.994 32.261 30.300 -0.055 0.000 1.188 199 R HN 0.702 nan 8.270 nan 0.000 0.450 200 S N 1.884 117.571 115.700 -0.021 0.000 2.546 200 S HA 0.910 5.380 4.470 -0.000 0.000 0.274 200 S C -1.806 172.758 174.600 -0.059 0.000 1.121 200 S CA 0.015 58.191 58.200 -0.040 0.000 0.887 200 S CB 1.799 65.012 63.200 0.022 0.000 1.094 200 S HN 0.919 nan 8.310 nan 0.000 0.474 201 A N 3.203 125.974 122.820 -0.081 0.000 2.515 201 A HA 0.636 4.956 4.320 -0.000 0.000 0.292 201 A C -1.654 175.879 177.584 -0.085 0.000 1.065 201 A CA -0.975 50.989 52.037 -0.121 0.000 0.641 201 A CB 0.701 19.615 19.000 -0.144 0.000 1.306 201 A HN 0.783 nan 8.150 nan 0.000 0.441 202 N N 0.178 118.824 118.700 -0.091 0.000 2.456 202 N HA 0.580 5.320 4.740 -0.000 0.000 0.288 202 N C 0.346 175.823 175.510 -0.055 0.000 1.059 202 N CA 0.076 53.092 53.050 -0.058 0.000 0.946 202 N CB 1.757 40.212 38.487 -0.053 0.000 1.150 202 N HN 1.010 nan 8.380 nan 0.000 0.479 203 A N 1.147 123.946 122.820 -0.035 0.000 2.364 203 A HA -0.041 4.279 4.320 -0.000 0.000 0.258 203 A C 1.297 178.854 177.584 -0.045 0.000 1.131 203 A CA 0.110 52.133 52.037 -0.024 0.000 0.800 203 A CB 0.167 19.175 19.000 0.014 0.000 1.086 203 A HN 0.866 nan 8.150 nan 0.000 0.508 204 Q N -0.956 118.817 119.800 -0.045 0.000 2.137 204 Q HA -0.093 4.247 4.340 -0.000 0.000 0.198 204 Q C 0.095 176.025 176.000 -0.117 0.000 0.960 204 Q CA 0.793 56.552 55.803 -0.073 0.000 0.847 204 Q CB -0.091 28.611 28.738 -0.060 0.000 0.915 204 Q HN 0.770 nan 8.270 nan 0.000 0.448 205 Q N 1.763 121.460 119.800 -0.172 0.000 2.327 205 Q HA 0.148 4.488 4.340 -0.000 0.000 0.254 205 Q C -0.538 175.367 176.000 -0.157 0.000 0.952 205 Q CA 0.044 55.689 55.803 -0.263 0.000 0.884 205 Q CB 0.589 28.976 28.738 -0.586 0.000 1.224 205 Q HN 0.012 nan 8.270 nan 0.000 0.422 206 K N 0.559 120.872 120.400 -0.144 0.000 2.448 206 K HA 0.156 4.476 4.320 -0.000 0.000 0.278 206 K C 1.041 177.602 176.600 -0.066 0.000 1.009 206 K CA 0.971 57.204 56.287 -0.090 0.000 0.995 206 K CB 0.382 32.831 32.500 -0.085 0.000 0.917 206 K HN 0.958 nan 8.250 nan 0.000 0.481 207 G N 1.776 110.557 108.800 -0.032 0.000 2.225 207 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.254 207 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.254 207 G C 0.223 175.132 174.900 0.015 0.000 0.988 207 G CA 0.321 45.418 45.100 -0.006 0.000 0.625 207 G HN 0.518 nan 8.290 nan 0.000 0.527 208 S N 0.938 116.645 115.700 0.012 0.000 2.554 208 S HA 0.622 5.092 4.470 -0.000 0.000 0.278 208 S C -0.018 174.593 174.600 0.019 0.000 1.242 208 S CA -0.372 57.853 58.200 0.042 0.000 1.051 208 S CB 1.618 64.871 63.200 0.089 0.000 0.986 208 S HN 0.471 nan 8.310 nan 0.000 0.502 209 E N 1.325 121.537 120.200 0.019 0.000 2.336 209 E HA 0.436 4.785 4.350 -0.000 0.000 0.267 209 E C -1.111 175.474 176.600 -0.025 0.000 0.906 209 E CA -0.749 55.648 56.400 -0.006 0.000 0.781 209 E CB 1.912 31.611 29.700 -0.001 0.000 1.261 209 E HN 0.525 nan 8.360 nan 0.000 0.436 210 E N 1.331 121.501 120.200 -0.050 0.000 2.234 210 E HA 0.318 4.668 4.350 -0.000 0.000 0.266 210 E C -1.233 175.302 176.600 -0.108 0.000 0.877 210 E CA -0.505 55.846 56.400 -0.081 0.000 0.758 210 E CB 2.027 31.677 29.700 -0.083 0.000 1.170 210 E HN 0.235 nan 8.360 nan 0.000 0.415 211 Q N 2.268 121.980 119.800 -0.147 0.000 2.263 211 Q HA 0.391 4.731 4.340 -0.000 0.000 0.262 211 Q C -1.230 174.575 176.000 -0.326 0.000 0.984 211 Q CA -0.562 55.093 55.803 -0.245 0.000 0.813 211 Q CB 3.074 31.675 28.738 -0.228 0.000 1.299 211 Q HN 0.339 nan 8.270 nan 0.000 0.428 212 R N 2.111 122.361 120.500 -0.416 0.000 2.628 212 R HA 0.581 4.921 4.340 -0.000 0.000 0.288 212 R C -1.851 174.199 176.300 -0.417 0.000 0.980 212 R CA -0.452 55.447 56.100 -0.334 0.000 0.891 212 R CB 1.343 31.552 30.300 -0.151 0.000 1.188 212 R HN 0.538 nan 8.270 nan 0.000 0.450 213 Y N 1.792 122.092 120.300 0.000 0.000 2.327 213 Y HA 0.647 5.197 4.550 -0.000 0.000 0.325 213 Y C -0.458 175.421 175.900 -0.036 0.000 0.999 213 Y CA -0.684 57.416 58.100 -0.000 0.000 1.195 213 Y CB 2.308 40.775 38.460 0.011 0.000 1.132 213 Y HN 0.763 nan 8.280 nan 0.000 0.455 214 A N 4.108 126.977 122.820 0.082 0.000 2.449 214 A HA 0.893 5.213 4.320 -0.000 0.000 0.302 214 A C -1.646 175.873 177.584 -0.108 0.000 1.048 214 A CA -0.785 51.183 52.037 -0.114 0.000 0.708 214 A CB 1.637 20.513 19.000 -0.207 0.000 1.274 214 A HN 0.759 nan 8.150 nan 0.000 0.410 215 I N 1.128 121.583 120.570 -0.192 0.000 2.644 215 I HA 0.663 4.832 4.170 -0.000 0.000 0.291 215 I C -0.614 175.434 176.117 -0.116 0.000 1.180 215 I CA -0.666 60.588 61.300 -0.077 0.000 1.040 215 I CB 1.933 39.984 38.000 0.084 0.000 1.255 215 I HN 0.822 nan 8.210 nan 0.000 0.422 216 A N 8.444 131.224 122.820 -0.065 0.000 2.399 216 A HA 0.731 5.051 4.320 -0.000 0.000 0.327 216 A C -2.805 174.828 177.584 0.082 0.000 1.367 216 A CA -1.507 50.539 52.037 0.016 0.000 0.842 216 A CB 0.211 19.258 19.000 0.078 0.000 1.142 216 A HN 0.394 nan 8.150 nan 0.000 0.495 217 P HA 0.477 nan 4.420 nan 0.000 0.282 217 P C -0.365 177.056 177.300 0.200 0.000 1.262 217 P CA 0.166 63.416 63.100 0.251 0.000 0.773 217 P CB 1.600 33.522 31.700 0.370 0.000 0.879 218 A N 3.520 126.518 122.820 0.297 0.000 2.435 218 A HA 0.846 5.166 4.320 -0.000 0.000 0.304 218 A C -1.705 176.220 177.584 0.568 0.000 1.064 218 A CA -0.547 51.672 52.037 0.303 0.000 0.727 218 A CB 1.089 20.185 19.000 0.160 0.000 1.284 218 A HN 0.435 nan 8.150 nan 0.000 0.415 219 F N 1.219 121.400 119.950 0.385 0.000 2.651 219 F HA 0.515 5.042 4.527 -0.000 0.000 0.329 219 F C -0.576 175.445 175.800 0.367 0.000 1.186 219 F CA -0.081 58.166 58.000 0.412 0.000 1.046 219 F CB 1.972 41.242 39.000 0.450 0.000 1.296 219 F HN 0.535 nan 8.300 nan 0.000 0.497 220 T N 2.836 117.244 114.554 -0.242 0.000 2.772 220 T HA 0.239 4.589 4.350 -0.000 0.000 0.288 220 T C -1.346 173.250 174.700 -0.173 0.000 0.994 220 T CA -0.323 61.703 62.100 -0.123 0.000 0.951 220 T CB 0.895 69.730 68.868 -0.055 0.000 0.933 220 T HN 0.564 nan 8.240 nan 0.000 0.447 221 W N 4.507 125.746 121.300 -0.102 0.000 2.316 221 W HA 0.479 5.139 4.660 -0.000 0.000 0.308 221 W C -0.371 176.116 176.519 -0.054 0.000 1.106 221 W CA -1.792 55.512 57.345 -0.069 0.000 1.262 221 W CB 0.590 30.165 29.460 0.191 0.000 1.233 221 W HN 0.547 nan 8.180 nan 0.000 0.447 222 R N 8.214 128.505 120.500 -0.350 0.000 2.664 222 R HA 0.152 4.492 4.340 -0.000 0.000 0.281 222 R C -1.627 174.321 176.300 -0.586 0.000 1.383 222 R CA -1.498 54.332 56.100 -0.450 0.000 1.563 222 R CB 0.936 31.080 30.300 -0.259 0.000 1.131 222 R HN 0.331 nan 8.270 nan 0.000 0.599 223 P HA -0.196 nan 4.420 nan 0.000 0.231 223 P C -0.551 176.563 177.300 -0.310 0.000 1.154 223 P CA 1.489 64.229 63.100 -0.601 0.000 0.762 223 P CB 0.349 31.569 31.700 -0.800 0.000 0.790 224 D N -0.453 119.761 120.400 -0.311 0.000 5.361 224 D HA -0.046 4.593 4.640 -0.000 0.000 0.348 224 D C -0.729 175.455 176.300 -0.192 0.000 1.896 224 D CA 0.036 53.916 54.000 -0.199 0.000 1.013 224 D CB -0.974 39.724 40.800 -0.170 0.000 1.661 224 D HN -0.021 nan 8.370 nan 0.000 0.702 225 D N -1.768 118.527 120.400 -0.175 0.000 2.651 225 D HA 0.323 4.963 4.640 -0.000 0.000 0.280 225 D C -0.016 176.185 176.300 -0.165 0.000 1.496 225 D CA -0.496 53.414 54.000 -0.150 0.000 0.792 225 D CB 0.434 41.176 40.800 -0.096 0.000 1.144 225 D HN 0.324 nan 8.370 nan 0.000 0.470 226 K N -0.473 119.786 120.400 -0.235 0.000 2.554 226 K HA 0.192 4.512 4.320 -0.000 0.000 0.211 226 K C -0.516 175.786 176.600 -0.498 0.000 1.226 226 K CA 0.001 56.130 56.287 -0.264 0.000 1.025 226 K CB 1.577 33.979 32.500 -0.164 0.000 1.021 226 K HN 0.108 nan 8.250 nan 0.000 0.600 227 T N 0.300 114.541 114.554 -0.522 0.000 2.861 227 T HA 0.384 4.733 4.350 -0.000 0.000 0.287 227 T C -1.018 173.451 174.700 -0.384 0.000 1.003 227 T CA -0.891 60.867 62.100 -0.570 0.000 0.977 227 T CB 1.847 70.350 68.868 -0.608 0.000 0.996 227 T HN -0.088 nan 8.240 nan 0.000 0.448 228 N N 1.763 120.287 118.700 -0.293 0.000 2.500 228 N HA 0.366 5.106 4.740 -0.000 0.000 0.291 228 N C -2.156 173.475 175.510 0.201 0.000 1.092 228 N CA -0.534 52.436 53.050 -0.133 0.000 0.890 228 N CB 1.908 40.261 38.487 -0.224 0.000 1.466 228 N HN 0.702 nan 8.380 nan 0.000 0.507 229 F N 3.258 123.333 119.950 0.208 0.000 2.532 229 F HA 0.384 4.911 4.527 -0.000 0.000 0.365 229 F C -0.503 175.483 175.800 0.309 0.000 1.112 229 F CA -0.329 57.912 58.000 0.401 0.000 1.082 229 F CB 0.703 39.973 39.000 0.450 0.000 1.319 229 F HN 0.167 nan 8.300 nan 0.000 0.457 230 T N 4.396 118.850 114.554 -0.168 0.000 2.767 230 T HA 0.325 4.675 4.350 -0.000 0.000 0.288 230 T C -0.768 173.855 174.700 -0.128 0.000 0.963 230 T CA -0.381 61.669 62.100 -0.084 0.000 1.019 230 T CB 0.935 69.781 68.868 -0.036 0.000 0.923 230 T HN 0.447 nan 8.240 nan 0.000 0.468 231 F N 4.600 124.522 119.950 -0.045 0.000 2.405 231 F HA 0.603 5.130 4.527 -0.000 0.000 0.355 231 F C -1.176 174.708 175.800 0.139 0.000 1.121 231 F CA -1.611 56.437 58.000 0.081 0.000 1.112 231 F CB 0.384 39.567 39.000 0.305 0.000 1.126 231 F HN 0.445 nan 8.300 nan 0.000 0.481 232 L N 6.861 127.833 121.223 -0.418 0.000 2.319 232 L HA 0.518 4.857 4.340 -0.000 0.000 0.281 232 L C -0.458 176.036 176.870 -0.627 0.000 1.005 232 L CA -0.623 53.963 54.840 -0.423 0.000 0.828 232 L CB 1.572 43.519 42.059 -0.187 0.000 1.227 232 L HN 0.758 nan 8.230 nan 0.000 0.415 233 S N 2.058 117.402 115.700 -0.594 0.000 2.599 233 S HA 0.731 5.201 4.470 -0.000 0.000 0.294 233 S C -1.281 173.151 174.600 -0.280 0.000 1.094 233 S CA -0.753 57.143 58.200 -0.506 0.000 0.931 233 S CB 2.364 65.297 63.200 -0.446 0.000 1.093 233 S HN 0.486 nan 8.310 nan 0.000 0.488 234 Y N 1.039 120.961 120.300 -0.629 0.000 2.330 234 Y HA 0.600 5.150 4.550 -0.000 0.000 0.324 234 Y C -2.335 173.191 175.900 -0.622 0.000 1.093 234 Y CA -1.130 56.715 58.100 -0.425 0.000 1.103 234 Y CB 1.069 39.363 38.460 -0.277 0.000 1.183 234 Y HN 0.741 nan 8.280 nan 0.000 0.433 235 F N 5.206 125.009 119.950 -0.245 0.000 2.403 235 F HA 0.498 5.025 4.527 -0.000 0.000 0.355 235 F C -0.183 175.444 175.800 -0.288 0.000 1.119 235 F CA -0.521 57.389 58.000 -0.150 0.000 1.007 235 F CB 1.776 40.742 39.000 -0.056 0.000 1.194 235 F HN 0.458 nan 8.300 nan 0.000 0.443 236 Q N 2.980 122.759 119.800 -0.036 0.000 2.375 236 Q HA 0.508 4.848 4.340 -0.000 0.000 0.271 236 Q C -1.692 174.356 176.000 0.080 0.000 1.074 236 Q CA -0.940 54.843 55.803 -0.034 0.000 0.808 236 Q CB 2.485 31.216 28.738 -0.013 0.000 1.327 236 Q HN 0.702 nan 8.270 nan 0.000 0.441 237 N N 1.757 120.517 118.700 0.100 0.000 2.310 237 N HA 0.275 5.015 4.740 -0.000 0.000 0.292 237 N C -2.051 173.508 175.510 0.081 0.000 1.049 237 N CA -0.315 52.806 53.050 0.119 0.000 0.849 237 N CB 1.918 40.507 38.487 0.170 0.000 1.532 237 N HN 0.549 nan 8.380 nan 0.000 0.479 238 E N 3.865 124.087 120.200 0.037 0.000 2.325 238 E HA 0.255 4.605 4.350 -0.000 0.000 0.248 238 E C -1.856 174.742 176.600 -0.002 0.000 0.912 238 E CA -1.810 54.572 56.400 -0.030 0.000 0.782 238 E CB 2.110 31.773 29.700 -0.062 0.000 1.264 238 E HN 0.512 nan 8.360 nan 0.000 0.417 239 P HA -0.169 nan 4.420 nan 0.000 0.214 239 P C -0.096 177.212 177.300 0.013 0.000 1.163 239 P CA 1.324 64.441 63.100 0.028 0.000 0.883 239 P CB 0.471 32.202 31.700 0.053 0.000 0.788 240 E N -0.674 119.517 120.200 -0.014 0.000 2.185 240 E HA 0.200 4.550 4.350 -0.000 0.000 0.261 240 E C 0.437 177.008 176.600 -0.049 0.000 0.879 240 E CA -0.129 56.268 56.400 -0.004 0.000 0.756 240 E CB 1.385 31.086 29.700 0.002 0.000 1.152 240 E HN 0.060 nan 8.360 nan 0.000 0.416 241 T N 0.102 114.621 114.554 -0.059 0.000 3.113 241 T HA 0.293 4.643 4.350 -0.000 0.000 0.256 241 T C 0.993 175.566 174.700 -0.212 0.000 1.131 241 T CA 0.194 62.178 62.100 -0.194 0.000 1.074 241 T CB 0.141 68.772 68.868 -0.394 0.000 0.944 241 T HN 0.730 nan 8.240 nan 0.000 0.516 242 G N 1.040 109.780 108.800 -0.100 0.000 2.582 242 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.222 242 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.222 242 G C -0.722 174.203 174.900 0.042 0.000 1.311 242 G CA -0.685 44.399 45.100 -0.027 0.000 0.915 242 G HN 0.375 nan 8.290 nan 0.000 0.528 243 Y N -0.090 120.203 120.300 -0.011 0.000 2.480 243 Y HA 0.500 5.050 4.550 -0.000 0.000 0.338 243 Y C 0.525 176.518 175.900 0.155 0.000 1.220 243 Y CA 0.617 58.758 58.100 0.068 0.000 1.430 243 Y CB 0.655 39.160 38.460 0.074 0.000 1.311 243 Y HN 0.926 nan 8.280 nan 0.000 0.575 244 Y N 3.871 123.728 120.300 -0.737 0.000 3.148 244 Y HA 0.387 4.936 4.550 -0.000 0.000 0.225 244 Y C -0.156 175.463 175.900 -0.469 0.000 0.885 244 Y CA -0.394 57.386 58.100 -0.535 0.000 1.140 244 Y CB 0.142 38.443 38.460 -0.264 0.000 1.250 244 Y HN 0.735 nan 8.280 nan 0.000 0.671 245 G N -0.075 108.114 108.800 -1.019 0.000 2.537 245 G HA2 0.470 4.430 3.960 -0.000 0.000 0.323 245 G HA3 0.470 4.430 3.960 -0.000 0.000 0.323 245 G C -1.274 173.813 174.900 0.312 0.000 1.207 245 G CA -0.509 44.439 45.100 -0.253 0.000 0.976 245 G HN 0.138 nan 8.290 nan 0.000 0.487 246 W N -0.263 121.192 121.300 0.258 0.000 2.512 246 W HA 0.716 5.376 4.660 -0.000 0.000 0.335 246 W C -0.441 176.152 176.519 0.124 0.000 1.088 246 W CA -1.118 56.325 57.345 0.163 0.000 1.236 246 W CB 0.987 30.587 29.460 0.234 0.000 1.307 246 W HN 0.121 nan 8.180 nan 0.000 0.567 247 L N 4.338 125.647 121.223 0.143 0.000 2.408 247 L HA 0.368 4.708 4.340 -0.000 0.000 0.268 247 L C -2.001 174.813 176.870 -0.093 0.000 0.986 247 L CA -2.232 52.660 54.840 0.087 0.000 0.820 247 L CB 2.680 44.768 42.059 0.049 0.000 1.303 247 L HN 0.012 nan 8.230 nan 0.000 0.411 248 P HA -0.038 nan 4.420 nan 0.000 0.267 248 P C -0.188 176.969 177.300 -0.238 0.000 1.201 248 P CA -0.162 62.871 63.100 -0.112 0.000 0.775 248 P CB 0.624 32.302 31.700 -0.037 0.000 0.854 249 K N 1.085 121.283 120.400 -0.337 0.000 2.209 249 K HA -0.110 4.210 4.320 -0.000 0.000 0.204 249 K C 0.197 176.597 176.600 -0.334 0.000 1.048 249 K CA 1.196 57.214 56.287 -0.448 0.000 0.940 249 K CB -0.419 31.485 32.500 -0.994 0.000 0.729 249 K HN 0.319 nan 8.250 nan 0.000 0.451 250 E N 0.936 120.986 120.200 -0.250 0.000 1.858 250 E HA 0.208 4.558 4.350 -0.000 0.000 0.267 250 E C 0.371 176.910 176.600 -0.101 0.000 1.215 250 E CA 0.571 56.879 56.400 -0.153 0.000 0.952 250 E CB 0.660 30.298 29.700 -0.103 0.000 1.058 250 E HN 0.521 nan 8.360 nan 0.000 0.407 251 G N 1.996 110.745 108.800 -0.085 0.000 2.227 251 G HA2 -0.217 3.742 3.960 -0.000 0.000 0.168 251 G HA3 -0.217 3.742 3.960 -0.000 0.000 0.168 251 G C 0.816 175.712 174.900 -0.007 0.000 1.006 251 G CA 0.211 45.292 45.100 -0.031 0.000 0.684 251 G HN 0.534 nan 8.290 nan 0.000 0.489 252 T N -1.365 113.089 114.554 -0.166 0.000 3.451 252 T HA 0.280 4.630 4.350 -0.000 0.000 0.201 252 T C 1.950 176.478 174.700 -0.288 0.000 0.965 252 T CA 1.078 62.889 62.100 -0.481 0.000 1.088 252 T CB -0.176 68.183 68.868 -0.849 0.000 1.251 252 T HN 0.385 nan 8.240 nan 0.000 0.325 253 V N 1.738 121.501 119.914 -0.253 0.000 2.346 253 V HA 0.125 4.245 4.120 -0.000 0.000 0.244 253 V C 0.835 176.899 176.094 -0.050 0.000 1.037 253 V CA 1.275 63.521 62.300 -0.091 0.000 1.029 253 V CB -0.596 31.229 31.823 0.002 0.000 0.663 253 V HN 0.468 nan 8.190 nan 0.000 0.454 254 E N 0.246 120.374 120.200 -0.120 0.000 2.202 254 E HA 0.377 4.726 4.350 -0.000 0.000 0.272 254 E C -2.685 173.880 176.600 -0.059 0.000 0.951 254 E CA -2.368 53.975 56.400 -0.095 0.000 0.813 254 E CB 1.544 31.143 29.700 -0.169 0.000 1.151 254 E HN 0.210 nan 8.360 nan 0.000 0.398 255 P HA 0.031 nan 4.420 nan 0.000 0.271 255 P C -0.456 176.832 177.300 -0.020 0.000 1.218 255 P CA -0.063 63.031 63.100 -0.010 0.000 0.780 255 P CB 0.568 32.265 31.700 -0.005 0.000 0.901 256 L N 4.764 125.982 121.223 -0.008 0.000 2.476 256 L HA 0.095 4.435 4.340 -0.000 0.000 0.255 256 L C -0.998 175.885 176.870 0.021 0.000 1.218 256 L CA -1.426 53.418 54.840 0.007 0.000 0.819 256 L CB -0.043 42.026 42.059 0.016 0.000 1.119 256 L HN 0.357 nan 8.230 nan 0.000 0.485 257 P HA -0.213 nan 4.420 nan 0.000 0.217 257 P C 0.313 177.638 177.300 0.042 0.000 1.162 257 P CA 1.444 64.570 63.100 0.043 0.000 0.901 257 P CB -0.119 31.617 31.700 0.060 0.000 0.793 258 N N -0.662 118.087 118.700 0.082 0.000 2.542 258 N HA 0.017 4.757 4.740 -0.000 0.000 0.234 258 N C 1.118 176.622 175.510 -0.010 0.000 1.257 258 N CA 0.852 53.944 53.050 0.070 0.000 0.883 258 N CB -1.326 37.265 38.487 0.173 0.000 1.197 258 N HN 0.205 nan 8.380 nan 0.000 0.488 259 G N 0.152 108.946 108.800 -0.011 0.000 2.230 259 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.270 259 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.270 259 G C -0.022 174.849 174.900 -0.049 0.000 0.987 259 G CA 0.951 46.035 45.100 -0.027 0.000 0.664 259 G HN 0.577 nan 8.290 nan 0.000 0.539 260 K N 0.046 120.400 120.400 -0.077 0.000 2.110 260 K HA 0.643 4.963 4.320 -0.000 0.000 0.263 260 K C 0.556 177.130 176.600 -0.045 0.000 0.975 260 K CA -0.725 55.494 56.287 -0.113 0.000 0.895 260 K CB 1.299 33.677 32.500 -0.204 0.000 1.060 260 K HN 0.151 nan 8.250 nan 0.000 0.448 261 R N 1.364 121.876 120.500 0.020 0.000 2.787 261 R HA 0.388 4.728 4.340 -0.000 0.000 0.271 261 R C -0.270 176.157 176.300 0.213 0.000 0.993 261 R CA -0.980 55.201 56.100 0.136 0.000 0.993 261 R CB 0.984 31.433 30.300 0.248 0.000 1.155 261 R HN 0.391 nan 8.270 nan 0.000 0.486 262 L N 4.101 125.431 121.223 0.178 0.000 2.453 262 L HA 0.148 4.488 4.340 -0.000 0.000 0.272 262 L C -1.708 175.284 176.870 0.203 0.000 1.182 262 L CA -1.488 53.406 54.840 0.090 0.000 0.858 262 L CB 0.336 42.357 42.059 -0.064 0.000 1.120 262 L HN 0.297 nan 8.230 nan 0.000 0.474 263 P HA 0.003 nan 4.420 nan 0.000 0.269 263 P C 0.341 177.349 177.300 -0.487 0.000 1.217 263 P CA -0.211 62.621 63.100 -0.447 0.000 0.783 263 P CB 0.412 31.916 31.700 -0.327 0.000 0.898 264 T N -2.013 111.981 114.554 -0.933 0.000 3.072 264 T HA -0.109 4.241 4.350 -0.000 0.000 0.266 264 T C 0.981 175.394 174.700 -0.480 0.000 1.127 264 T CA 1.165 62.502 62.100 -1.272 0.000 1.107 264 T CB -0.620 67.640 68.868 -1.012 0.000 0.910 264 T HN 0.575 nan 8.240 nan 0.000 0.513 265 D N 0.049 120.284 120.400 -0.276 0.000 2.402 265 D HA 0.025 4.664 4.640 -0.000 0.000 0.216 265 D C 0.213 176.476 176.300 -0.062 0.000 1.128 265 D CA -0.769 53.142 54.000 -0.148 0.000 0.833 265 D CB -0.376 40.340 40.800 -0.142 0.000 0.971 265 D HN 0.333 nan 8.370 nan 0.000 0.503 266 F N 2.536 122.425 119.950 -0.102 0.000 2.572 266 F HA 0.225 4.752 4.527 -0.000 0.000 0.370 266 F C 0.007 175.769 175.800 -0.064 0.000 1.103 266 F CA -0.324 57.650 58.000 -0.043 0.000 1.286 266 F CB 0.540 39.582 39.000 0.070 0.000 1.105 266 F HN -0.192 nan 8.300 nan 0.000 0.583 267 N N 4.301 122.477 118.700 -0.873 0.000 2.354 267 N HA 0.159 4.898 4.740 -0.000 0.000 0.287 267 N C -0.444 174.511 175.510 -0.924 0.000 1.016 267 N CA -0.472 52.143 53.050 -0.725 0.000 0.871 267 N CB 1.475 39.752 38.487 -0.350 0.000 1.299 267 N HN 0.715 nan 8.380 nan 0.000 0.482 268 E N 1.076 120.936 120.200 -0.567 0.000 2.476 268 E HA 0.299 4.649 4.350 -0.000 0.000 0.196 268 E C 0.819 177.405 176.600 -0.023 0.000 1.029 268 E CA -0.650 55.587 56.400 -0.271 0.000 0.896 268 E CB 0.257 29.974 29.700 0.028 0.000 1.012 268 E HN 0.453 nan 8.360 nan 0.000 0.475 269 G N 0.407 109.215 108.800 0.014 0.000 2.491 269 G HA2 0.591 4.551 3.960 -0.000 0.000 0.327 269 G HA3 0.591 4.551 3.960 -0.000 0.000 0.327 269 G C -0.235 174.695 174.900 0.050 0.000 1.189 269 G CA -0.714 44.429 45.100 0.071 0.000 0.956 269 G HN 0.307 nan 8.290 nan 0.000 0.491 270 A N -0.086 122.768 122.820 0.056 0.000 2.492 270 A HA 0.241 4.561 4.320 -0.000 0.000 0.236 270 A C 1.631 179.275 177.584 0.099 0.000 1.078 270 A CA 0.477 52.556 52.037 0.070 0.000 0.773 270 A CB 0.248 19.285 19.000 0.062 0.000 1.023 270 A HN 0.806 nan 8.150 nan 0.000 0.504 271 K N 0.625 121.076 120.400 0.085 0.000 2.097 271 K HA -0.149 4.170 4.320 -0.000 0.000 0.205 271 K C 0.913 177.575 176.600 0.102 0.000 1.050 271 K CA 1.644 57.977 56.287 0.076 0.000 0.938 271 K CB -0.129 32.405 32.500 0.057 0.000 0.718 271 K HN 0.889 nan 8.250 nan 0.000 0.442 272 N N 0.692 119.481 118.700 0.149 0.000 2.346 272 N HA -0.049 4.690 4.740 -0.000 0.000 0.225 272 N C -0.741 174.919 175.510 0.250 0.000 1.144 272 N CA -0.108 53.054 53.050 0.187 0.000 0.837 272 N CB -0.438 38.176 38.487 0.211 0.000 1.069 272 N HN -0.023 nan 8.380 nan 0.000 0.487 273 N N 0.451 119.277 118.700 0.211 0.000 2.483 273 N HA 0.080 4.820 4.740 -0.000 0.000 0.264 273 N C -0.840 174.714 175.510 0.073 0.000 1.197 273 N CA 0.521 53.672 53.050 0.169 0.000 0.927 273 N CB 0.836 39.425 38.487 0.170 0.000 1.065 273 N HN 0.227 nan 8.380 nan 0.000 0.461 274 T N 2.057 116.594 114.554 -0.028 0.000 2.912 274 T HA 0.496 4.846 4.350 -0.000 0.000 0.299 274 T C -1.951 172.723 174.700 -0.042 0.000 1.052 274 T CA -0.435 61.649 62.100 -0.026 0.000 0.996 274 T CB 0.311 69.136 68.868 -0.073 0.000 1.070 274 T HN 0.303 nan 8.240 nan 0.000 0.465 275 Y N 2.577 122.820 120.300 -0.094 0.000 2.396 275 Y HA 0.598 5.147 4.550 -0.000 0.000 0.332 275 Y C -0.464 175.372 175.900 -0.106 0.000 1.034 275 Y CA -0.601 57.427 58.100 -0.120 0.000 1.057 275 Y CB 2.027 40.408 38.460 -0.131 0.000 1.220 275 Y HN 0.835 nan 8.280 nan 0.000 0.440 276 S N 5.113 120.900 115.700 0.146 0.000 2.564 276 S HA 0.858 5.328 4.470 -0.000 0.000 0.274 276 S C -1.335 173.320 174.600 0.092 0.000 1.124 276 S CA -1.112 57.141 58.200 0.088 0.000 0.869 276 S CB 2.940 66.155 63.200 0.026 0.000 1.105 276 S HN 0.760 nan 8.310 nan 0.000 0.472 277 R N 1.299 121.835 120.500 0.060 0.000 2.584 277 R HA 0.486 4.826 4.340 -0.000 0.000 0.276 277 R C -2.076 174.256 176.300 0.053 0.000 1.046 277 R CA -0.409 55.725 56.100 0.057 0.000 0.906 277 R CB 1.513 31.829 30.300 0.026 0.000 1.215 277 R HN 0.817 nan 8.270 nan 0.000 0.449 278 N N 2.805 121.544 118.700 0.065 0.000 2.296 278 N HA 0.270 5.010 4.740 -0.000 0.000 0.294 278 N C -1.569 173.991 175.510 0.084 0.000 1.033 278 N CA -0.324 52.773 53.050 0.078 0.000 0.839 278 N CB 2.201 40.736 38.487 0.079 0.000 1.395 278 N HN 0.677 nan 8.380 nan 0.000 0.479 279 E N 1.935 122.196 120.200 0.102 0.000 2.248 279 E HA 0.448 4.797 4.350 -0.000 0.000 0.267 279 E C -1.141 175.541 176.600 0.136 0.000 0.877 279 E CA -0.624 55.837 56.400 0.102 0.000 0.759 279 E CB 2.303 32.079 29.700 0.126 0.000 1.182 279 E HN 0.337 nan 8.360 nan 0.000 0.418 280 K N 3.318 123.781 120.400 0.105 0.000 2.581 280 K HA 0.461 4.781 4.320 -0.000 0.000 0.249 280 K C -1.114 175.474 176.600 -0.021 0.000 0.966 280 K CA -0.391 55.995 56.287 0.164 0.000 0.811 280 K CB 1.558 34.274 32.500 0.361 0.000 1.223 280 K HN 0.498 nan 8.250 nan 0.000 0.438 281 M N 0.515 119.954 119.600 -0.269 0.000 2.371 281 M HA 0.612 5.092 4.480 -0.000 0.000 0.287 281 M C -1.101 175.052 176.300 -0.246 0.000 1.149 281 M CA -1.136 54.039 55.300 -0.209 0.000 0.929 281 M CB 1.864 34.342 32.600 -0.204 0.000 1.683 281 M HN 0.232 nan 8.290 nan 0.000 0.470 282 V N -0.218 119.717 119.914 0.035 0.000 2.789 282 V HA 1.110 5.230 4.120 -0.000 0.000 0.311 282 V C -0.267 175.941 176.094 0.189 0.000 1.073 282 V CA 0.300 62.679 62.300 0.131 0.000 0.921 282 V CB 1.102 33.200 31.823 0.459 0.000 1.009 282 V HN 1.297 nan 8.190 nan 0.000 0.426 283 G N 2.300 111.167 108.800 0.112 0.000 2.490 283 G HA2 0.744 4.704 3.960 -0.000 0.000 0.308 283 G HA3 0.744 4.704 3.960 -0.000 0.000 0.308 283 G C -1.736 173.267 174.900 0.172 0.000 1.286 283 G CA -0.002 45.162 45.100 0.107 0.000 0.825 283 G HN 2.150 nan 8.290 nan 0.000 0.479 284 Y N -2.132 118.208 120.300 0.067 0.000 2.641 284 Y HA 0.836 5.385 4.550 -0.000 0.000 0.333 284 Y C -0.753 175.102 175.900 -0.075 0.000 1.174 284 Y CA -1.188 56.862 58.100 -0.084 0.000 1.057 284 Y CB 1.313 39.605 38.460 -0.279 0.000 1.322 284 Y HN 0.889 nan 8.280 nan 0.000 0.457 285 S N 2.422 118.194 115.700 0.120 0.000 2.502 285 S HA 0.812 5.282 4.470 -0.000 0.000 0.304 285 S C -1.894 172.816 174.600 0.183 0.000 1.097 285 S CA -0.511 57.749 58.200 0.100 0.000 1.045 285 S CB 0.624 63.781 63.200 -0.072 0.000 1.019 285 S HN 0.867 nan 8.310 nan 0.000 0.481 286 F N 4.147 124.159 119.950 0.103 0.000 2.588 286 F HA 0.604 5.131 4.527 -0.000 0.000 0.314 286 F C -1.576 174.246 175.800 0.037 0.000 1.134 286 F CA -0.717 57.351 58.000 0.114 0.000 0.961 286 F CB 1.417 40.644 39.000 0.378 0.000 1.239 286 F HN 0.655 nan 8.300 nan 0.000 0.448 287 D N 2.987 122.732 120.400 -1.091 0.000 2.527 287 D HA 0.458 5.098 4.640 -0.000 0.000 0.233 287 D C -1.787 173.789 176.300 -1.207 0.000 1.063 287 D CA -0.409 52.988 54.000 -1.005 0.000 0.880 287 D CB 1.869 42.316 40.800 -0.588 0.000 1.457 287 D HN 0.614 nan 8.370 nan 0.000 0.475 288 H N -0.121 118.406 119.070 -0.904 0.000 3.026 288 H HA 0.353 4.909 4.556 -0.000 0.000 0.352 288 H C -1.742 173.182 175.328 -0.674 0.000 1.090 288 H CA -0.697 54.946 56.048 -0.675 0.000 1.268 288 H CB 1.843 31.325 29.762 -0.467 0.000 1.816 288 H HN 0.686 nan 8.280 nan 0.000 0.518 289 E N 4.600 124.799 120.200 -0.002 0.000 2.133 289 E HA 0.206 4.556 4.350 -0.000 0.000 0.274 289 E C -0.134 176.528 176.600 0.103 0.000 0.930 289 E CA -0.519 55.833 56.400 -0.080 0.000 0.770 289 E CB 0.579 30.245 29.700 -0.058 0.000 1.104 289 E HN 0.393 nan 8.360 nan 0.000 0.403 290 F N 3.386 123.445 119.950 0.183 0.000 2.262 290 F HA 0.091 4.618 4.527 -0.000 0.000 0.292 290 F C 1.059 176.937 175.800 0.130 0.000 1.081 290 F CA 0.418 58.494 58.000 0.126 0.000 1.355 290 F CB -0.310 38.713 39.000 0.039 0.000 1.069 290 F HN 0.548 nan 8.300 nan 0.000 0.506 291 N N -2.205 116.680 118.700 0.308 0.000 3.680 291 N HA 0.105 4.845 4.740 -0.000 0.000 0.336 291 N C -0.129 175.448 175.510 0.112 0.000 1.502 291 N CA -0.232 52.932 53.050 0.190 0.000 0.658 291 N CB 0.057 38.660 38.487 0.194 0.000 3.070 291 N HN -0.243 nan 8.380 nan 0.000 0.554 292 D N -1.480 118.963 120.400 0.072 0.000 2.350 292 D HA 0.054 4.694 4.640 -0.000 0.000 0.213 292 D C 0.337 176.629 176.300 -0.013 0.000 1.031 292 D CA 0.989 55.005 54.000 0.028 0.000 0.861 292 D CB 0.481 41.294 40.800 0.021 0.000 0.926 292 D HN 0.562 nan 8.370 nan 0.000 0.520 293 T N -1.192 113.329 114.554 -0.055 0.000 2.954 293 T HA 0.126 4.475 4.350 -0.000 0.000 0.252 293 T C -0.434 174.076 174.700 -0.316 0.000 0.983 293 T CA -0.206 61.758 62.100 -0.226 0.000 0.941 293 T CB 0.275 68.928 68.868 -0.358 0.000 1.141 293 T HN -0.203 nan 8.240 nan 0.000 0.500 294 F N 2.483 122.512 119.950 0.131 0.000 2.507 294 F HA 0.631 5.157 4.527 -0.000 0.000 0.325 294 F C -0.011 175.815 175.800 0.044 0.000 1.116 294 F CA -0.932 57.153 58.000 0.141 0.000 0.930 294 F CB 2.060 41.216 39.000 0.260 0.000 1.146 294 F HN -0.094 nan 8.300 nan 0.000 0.447 295 T N 1.267 115.928 114.554 0.178 0.000 2.916 295 T HA 0.637 4.986 4.350 -0.000 0.000 0.298 295 T C -1.235 173.412 174.700 -0.088 0.000 1.031 295 T CA -0.831 61.214 62.100 -0.091 0.000 0.993 295 T CB 1.855 70.684 68.868 -0.064 0.000 1.045 295 T HN 0.459 nan 8.240 nan 0.000 0.454 296 V N 3.291 123.049 119.914 -0.259 0.000 2.680 296 V HA 0.873 4.992 4.120 -0.000 0.000 0.309 296 V C -1.065 174.960 176.094 -0.116 0.000 1.052 296 V CA -0.954 61.294 62.300 -0.085 0.000 0.908 296 V CB 1.621 33.465 31.823 0.034 0.000 1.001 296 V HN 1.033 nan 8.190 nan 0.000 0.431 297 R N 4.801 125.299 120.500 -0.003 0.000 2.673 297 R HA 0.717 5.056 4.340 -0.000 0.000 0.281 297 R C -1.310 175.093 176.300 0.171 0.000 0.991 297 R CA -0.860 55.233 56.100 -0.011 0.000 0.896 297 R CB 2.107 32.350 30.300 -0.095 0.000 1.201 297 R HN 0.669 nan 8.270 nan 0.000 0.457 298 Q N 2.414 122.398 119.800 0.306 0.000 2.285 298 Q HA 0.360 4.700 4.340 -0.000 0.000 0.269 298 Q C -1.542 174.646 176.000 0.313 0.000 1.030 298 Q CA -0.864 55.150 55.803 0.351 0.000 0.788 298 Q CB 2.150 31.176 28.738 0.480 0.000 1.266 298 Q HN 0.694 nan 8.270 nan 0.000 0.438 299 N N 3.806 122.595 118.700 0.149 0.000 2.362 299 N HA 0.605 5.344 4.740 -0.000 0.000 0.298 299 N C -1.312 174.109 175.510 -0.147 0.000 1.048 299 N CA -0.370 52.685 53.050 0.009 0.000 0.858 299 N CB 2.009 40.521 38.487 0.042 0.000 1.218 299 N HN 0.662 nan 8.380 nan 0.000 0.488 300 L N 0.884 121.865 121.223 -0.404 0.000 2.482 300 L HA 0.604 4.944 4.340 -0.000 0.000 0.263 300 L C -1.346 175.305 176.870 -0.365 0.000 0.957 300 L CA -0.646 53.919 54.840 -0.460 0.000 0.836 300 L CB 2.303 44.001 42.059 -0.601 0.000 1.324 300 L HN 0.553 nan 8.230 nan 0.000 0.406 301 R N 3.574 123.901 120.500 -0.287 0.000 2.566 301 R HA 0.493 4.833 4.340 -0.000 0.000 0.271 301 R C -2.294 173.993 176.300 -0.022 0.000 1.071 301 R CA -0.517 55.503 56.100 -0.134 0.000 0.915 301 R CB 1.896 32.092 30.300 -0.174 0.000 1.228 301 R HN 0.569 nan 8.270 nan 0.000 0.449 302 F N 2.866 122.861 119.950 0.074 0.000 2.522 302 F HA 0.852 5.378 4.527 -0.000 0.000 0.324 302 F C -1.404 174.457 175.800 0.103 0.000 1.077 302 F CA -0.343 57.779 58.000 0.203 0.000 0.944 302 F CB 2.251 41.462 39.000 0.352 0.000 1.175 302 F HN 0.695 nan 8.300 nan 0.000 0.468 303 A N 4.187 126.203 122.820 -1.339 0.000 2.589 303 A HA 0.594 4.914 4.320 -0.000 0.000 0.296 303 A C -1.754 175.321 177.584 -0.848 0.000 1.062 303 A CA -0.684 50.845 52.037 -0.846 0.000 0.686 303 A CB 1.579 20.344 19.000 -0.391 0.000 1.282 303 A HN 0.811 nan 8.150 nan 0.000 0.404 304 E N 1.521 121.509 120.200 -0.353 0.000 2.246 304 E HA 0.521 4.871 4.350 -0.000 0.000 0.266 304 E C -1.495 175.087 176.600 -0.028 0.000 0.880 304 E CA -0.672 55.655 56.400 -0.122 0.000 0.762 304 E CB 1.092 30.841 29.700 0.081 0.000 1.180 304 E HN 0.668 nan 8.360 nan 0.000 0.416 305 N N 3.336 122.030 118.700 -0.011 0.000 2.229 305 N HA 0.464 5.204 4.740 -0.000 0.000 0.298 305 N C -1.315 174.227 175.510 0.054 0.000 1.114 305 N CA -0.677 52.389 53.050 0.027 0.000 0.776 305 N CB 2.102 40.596 38.487 0.012 0.000 1.501 305 N HN 0.395 nan 8.380 nan 0.000 0.474 306 K N -0.212 120.229 120.400 0.068 0.000 2.482 306 K HA 0.695 5.015 4.320 -0.000 0.000 0.257 306 K C -0.956 175.692 176.600 0.080 0.000 0.969 306 K CA -0.755 55.577 56.287 0.075 0.000 0.842 306 K CB 2.570 35.110 32.500 0.066 0.000 1.359 306 K HN 0.414 nan 8.250 nan 0.000 0.441 307 T N 0.138 114.743 114.554 0.084 0.000 2.982 307 T HA 0.500 4.850 4.350 -0.000 0.000 0.321 307 T C -1.761 172.946 174.700 0.012 0.000 1.229 307 T CA -0.569 61.577 62.100 0.076 0.000 1.044 307 T CB 1.190 70.149 68.868 0.152 0.000 1.184 307 T HN 0.682 nan 8.240 nan 0.000 0.477 308 S N 3.527 119.185 115.700 -0.070 0.000 2.569 308 S HA 0.889 5.359 4.470 -0.000 0.000 0.280 308 S C -1.274 173.120 174.600 -0.344 0.000 1.111 308 S CA -0.750 57.354 58.200 -0.159 0.000 0.887 308 S CB 2.108 65.248 63.200 -0.101 0.000 1.095 308 S HN 1.080 nan 8.310 nan 0.000 0.476 309 Q N 0.719 120.247 119.800 -0.454 0.000 2.527 309 Q HA 0.517 4.856 4.340 -0.000 0.000 0.280 309 Q C -2.065 173.608 176.000 -0.545 0.000 0.977 309 Q CA -0.880 54.546 55.803 -0.628 0.000 0.837 309 Q CB 1.142 29.125 28.738 -1.258 0.000 1.454 309 Q HN 0.749 nan 8.270 nan 0.000 0.387 310 N N 0.601 118.953 118.700 -0.581 0.000 2.576 310 N HA 0.502 5.242 4.740 -0.000 0.000 0.269 310 N C -1.759 173.322 175.510 -0.714 0.000 1.058 310 N CA -0.283 52.191 53.050 -0.959 0.000 0.860 310 N CB 1.898 39.648 38.487 -1.228 0.000 1.249 310 N HN 0.491 nan 8.380 nan 0.000 0.525 311 S N 0.948 116.422 115.700 -0.378 0.000 2.549 311 S HA 0.440 4.910 4.470 -0.000 0.000 0.280 311 S C -0.761 174.006 174.600 0.278 0.000 1.109 311 S CA -0.523 57.694 58.200 0.029 0.000 0.905 311 S CB 2.255 65.469 63.200 0.022 0.000 1.081 311 S HN 0.099 nan 8.310 nan 0.000 0.477 312 V N 4.635 124.689 119.914 0.232 0.000 2.313 312 V HA 0.418 4.538 4.120 -0.000 0.000 0.278 312 V C -0.776 175.403 176.094 0.142 0.000 1.017 312 V CA -0.525 61.826 62.300 0.086 0.000 0.823 312 V CB -0.037 31.692 31.823 -0.157 0.000 1.010 312 V HN 0.842 nan 8.190 nan 0.000 0.443 313 Y N 3.449 123.738 120.300 -0.020 0.000 2.534 313 Y HA 0.946 5.496 4.550 -0.000 0.000 0.338 313 Y C 0.587 176.499 175.900 0.020 0.000 1.279 313 Y CA -1.447 56.607 58.100 -0.077 0.000 1.436 313 Y CB 0.466 38.717 38.460 -0.348 0.000 1.573 313 Y HN 0.537 nan 8.280 nan 0.000 0.567 314 G N -0.983 107.941 108.800 0.206 0.000 2.473 314 G HA2 0.506 4.466 3.960 -0.000 0.000 0.321 314 G HA3 0.506 4.466 3.960 -0.000 0.000 0.321 314 G C -2.449 172.733 174.900 0.469 0.000 1.200 314 G CA -0.734 44.508 45.100 0.236 0.000 0.963 314 G HN 0.539 nan 8.290 nan 0.000 0.483 315 Y N -0.093 120.320 120.300 0.188 0.000 2.524 315 Y HA 0.572 5.122 4.550 -0.000 0.000 0.344 315 Y C 1.148 177.168 175.900 0.200 0.000 1.012 315 Y CA 0.107 58.353 58.100 0.242 0.000 1.068 315 Y CB 1.854 40.336 38.460 0.037 0.000 1.249 315 Y HN 0.906 nan 8.280 nan 0.000 0.468 316 G N 1.360 110.255 108.800 0.158 0.000 2.711 316 G HA2 0.141 4.101 3.960 -0.000 0.000 0.367 316 G HA3 0.141 4.101 3.960 -0.000 0.000 0.367 316 G C -0.239 174.732 174.900 0.120 0.000 1.276 316 G CA 0.033 45.211 45.100 0.131 0.000 1.193 316 G HN 0.817 nan 8.290 nan 0.000 0.704 317 V N -2.969 116.985 119.914 0.068 0.000 3.003 317 V HA 0.172 4.292 4.120 -0.000 0.000 0.305 317 V C 1.594 177.727 176.094 0.064 0.000 1.078 317 V CA -0.358 61.982 62.300 0.068 0.000 1.083 317 V CB 0.515 32.360 31.823 0.037 0.000 1.039 317 V HN 0.796 nan 8.190 nan 0.000 0.481 318 c N 2.091 120.734 118.600 0.072 0.000 2.403 318 c HA -0.122 4.448 4.570 -0.000 0.000 0.282 318 c C 2.900 177.006 174.090 0.025 0.000 1.297 318 c CA 1.856 58.214 56.329 0.049 0.000 1.785 318 c CB -1.539 40.997 42.510 0.043 0.000 1.963 318 c HN 1.168 nan 8.230 nan 0.000 0.507 319 S N -0.712 115.003 115.700 0.025 0.000 2.650 319 S HA -0.014 4.456 4.470 -0.000 0.000 0.219 319 S C 0.161 174.757 174.600 -0.007 0.000 0.960 319 S CA 0.185 58.390 58.200 0.008 0.000 0.925 319 S CB -0.397 62.811 63.200 0.013 0.000 0.775 319 S HN 0.665 nan 8.310 nan 0.000 0.525 320 D N 2.683 123.084 120.400 0.001 0.000 2.264 320 D HA 0.216 4.856 4.640 -0.000 0.000 0.250 320 D C -1.309 174.982 176.300 -0.015 0.000 1.113 320 D CA -2.017 51.981 54.000 -0.004 0.000 0.871 320 D CB 1.915 42.726 40.800 0.018 0.000 1.167 320 D HN 0.020 nan 8.370 nan 0.000 0.447 321 P HA -0.242 nan 4.420 nan 0.000 0.218 321 P C 1.078 178.334 177.300 -0.073 0.000 1.152 321 P CA 1.391 64.459 63.100 -0.054 0.000 0.857 321 P CB 0.147 31.828 31.700 -0.032 0.000 0.787 322 A N 0.671 123.471 122.820 -0.033 0.000 1.917 322 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 322 A C 1.964 179.557 177.584 0.016 0.000 1.182 322 A CA 1.735 53.763 52.037 -0.016 0.000 0.633 322 A CB -1.346 17.590 19.000 -0.106 0.000 0.819 322 A HN 0.206 nan 8.150 nan 0.000 0.448 323 N N 0.336 119.054 118.700 0.030 0.000 2.421 323 N HA 0.170 4.910 4.740 -0.000 0.000 0.201 323 N C 1.454 176.932 175.510 -0.053 0.000 1.198 323 N CA 0.715 53.778 53.050 0.022 0.000 0.838 323 N CB -0.067 38.454 38.487 0.058 0.000 1.011 323 N HN 0.511 nan 8.380 nan 0.000 0.463 324 A N 0.435 123.152 122.820 -0.173 0.000 1.927 324 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 324 A C 0.936 178.368 177.584 -0.253 0.000 1.185 324 A CA 1.368 53.220 52.037 -0.309 0.000 0.639 324 A CB -0.620 18.019 19.000 -0.601 0.000 0.820 324 A HN 0.320 nan 8.150 nan 0.000 0.451 325 Y N -0.027 120.279 120.300 0.010 0.000 2.583 325 Y HA 0.368 4.917 4.550 -0.000 0.000 0.294 325 Y C 1.136 177.039 175.900 0.005 0.000 1.170 325 Y CA -0.374 57.731 58.100 0.009 0.000 1.265 325 Y CB -0.451 38.016 38.460 0.012 0.000 1.119 325 Y HN 0.172 nan 8.280 nan 0.000 0.522 326 S N 0.605 116.364 115.700 0.100 0.000 2.465 326 S HA 0.192 4.662 4.470 -0.000 0.000 0.279 326 S C 1.121 175.748 174.600 0.044 0.000 1.201 326 S CA -0.554 57.682 58.200 0.061 0.000 1.053 326 S CB 0.772 63.989 63.200 0.030 0.000 0.953 326 S HN 0.452 nan 8.310 nan 0.000 0.488 327 K N 3.461 123.886 120.400 0.041 0.000 1.984 327 K HA -0.084 4.236 4.320 -0.000 0.000 0.209 327 K C 2.248 178.845 176.600 -0.004 0.000 1.046 327 K CA 1.438 57.739 56.287 0.023 0.000 0.934 327 K CB -0.245 32.269 32.500 0.024 0.000 0.717 327 K HN 0.690 nan 8.250 nan 0.000 0.438 328 Q N 0.286 120.081 119.800 -0.010 0.000 2.197 328 Q HA -0.269 4.071 4.340 -0.000 0.000 0.211 328 Q C 2.332 178.287 176.000 -0.076 0.000 0.993 328 Q CA 1.604 57.382 55.803 -0.041 0.000 0.883 328 Q CB -0.420 28.301 28.738 -0.028 0.000 0.916 328 Q HN 0.409 nan 8.270 nan 0.000 0.418 329 c N 0.088 118.660 118.600 -0.046 0.000 2.462 329 c HA -0.008 4.562 4.570 -0.000 0.000 0.278 329 c C 1.925 175.980 174.090 -0.057 0.000 1.253 329 c CA 0.497 56.793 56.329 -0.055 0.000 1.713 329 c CB -0.783 41.718 42.510 -0.014 0.000 2.049 329 c HN 0.530 nan 8.230 nan 0.000 0.477 330 A N -0.285 122.518 122.820 -0.028 0.000 3.074 330 A HA 0.570 4.889 4.320 -0.000 0.000 0.251 330 A C 0.767 178.333 177.584 -0.029 0.000 1.695 330 A CA 0.913 52.938 52.037 -0.019 0.000 1.343 330 A CB -0.716 18.287 19.000 0.005 0.000 1.078 330 A HN 0.757 nan 8.150 nan 0.000 0.644 331 A N 0.296 123.080 122.820 -0.059 0.000 2.502 331 A HA 0.511 4.831 4.320 -0.000 0.000 0.253 331 A C -0.228 177.298 177.584 -0.096 0.000 0.938 331 A CA -0.129 51.870 52.037 -0.064 0.000 1.086 331 A CB 0.047 19.008 19.000 -0.065 0.000 1.176 331 A HN 0.443 nan 8.150 nan 0.000 0.499 332 L N 0.142 121.303 121.223 -0.103 0.000 2.341 332 L HA 0.766 5.105 4.340 -0.000 0.000 0.267 332 L C 0.692 177.542 176.870 -0.033 0.000 1.009 332 L CA -1.124 53.647 54.840 -0.116 0.000 0.819 332 L CB 1.944 43.867 42.059 -0.225 0.000 1.323 332 L HN 0.232 nan 8.230 nan 0.000 0.425 333 A N 2.641 125.464 122.820 0.005 0.000 2.563 333 A HA 0.132 4.452 4.320 -0.000 0.000 0.256 333 A C -1.598 176.004 177.584 0.030 0.000 1.056 333 A CA -0.636 51.414 52.037 0.023 0.000 0.775 333 A CB -0.500 18.524 19.000 0.040 0.000 0.973 333 A HN 0.657 nan 8.150 nan 0.000 0.516 334 P HA -0.242 nan 4.420 nan 0.000 0.220 334 P C 0.679 177.996 177.300 0.028 0.000 1.146 334 P CA 2.295 65.405 63.100 0.017 0.000 0.816 334 P CB 0.215 31.921 31.700 0.011 0.000 0.764 335 A N -1.944 120.900 122.820 0.040 0.000 2.749 335 A HA 0.259 4.579 4.320 -0.000 0.000 0.299 335 A C 0.703 178.342 177.584 0.093 0.000 1.105 335 A CA -0.091 51.976 52.037 0.049 0.000 0.987 335 A CB -0.086 18.931 19.000 0.029 0.000 1.180 335 A HN -0.103 nan 8.150 nan 0.000 0.528 336 D N -0.872 119.607 120.400 0.132 0.000 2.502 336 D HA 0.132 4.772 4.640 -0.000 0.000 0.232 336 D C 1.619 178.058 176.300 0.232 0.000 1.137 336 D CA 0.455 54.614 54.000 0.265 0.000 0.827 336 D CB 0.393 41.348 40.800 0.258 0.000 1.141 336 D HN 0.333 nan 8.370 nan 0.000 0.517 337 K N 0.049 120.524 120.400 0.125 0.000 2.211 337 K HA 0.051 4.371 4.320 -0.000 0.000 0.203 337 K C 1.740 178.385 176.600 0.075 0.000 1.050 337 K CA 1.082 57.418 56.287 0.083 0.000 0.945 337 K CB 0.096 32.618 32.500 0.036 0.000 0.732 337 K HN 0.011 nan 8.250 nan 0.000 0.451 338 G N 0.818 109.669 108.800 0.085 0.000 3.124 338 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.212 338 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.212 338 G C 0.626 175.590 174.900 0.107 0.000 1.181 338 G CA 0.272 45.415 45.100 0.071 0.000 0.803 338 G HN 0.526 nan 8.290 nan 0.000 0.529 339 H N -3.215 115.880 119.070 0.041 0.000 3.182 339 H HA 0.426 4.982 4.556 -0.000 0.000 0.254 339 H C -0.929 174.324 175.328 -0.124 0.000 1.197 339 H CA -0.935 55.091 56.048 -0.036 0.000 1.061 339 H CB -0.138 29.582 29.762 -0.070 0.000 1.722 339 H HN 0.139 nan 8.280 nan 0.000 0.662 340 Y N 0.615 120.737 120.300 -0.297 0.000 2.468 340 Y HA 0.469 5.018 4.550 -0.000 0.000 0.342 340 Y C -0.786 175.088 175.900 -0.043 0.000 1.021 340 Y CA -1.412 56.561 58.100 -0.213 0.000 1.079 340 Y CB 2.011 40.320 38.460 -0.252 0.000 1.226 340 Y HN 0.205 nan 8.280 nan 0.000 0.460 341 L N 2.686 124.029 121.223 0.201 0.000 2.317 341 L HA 0.862 5.202 4.340 -0.000 0.000 0.281 341 L C -0.501 176.468 176.870 0.165 0.000 1.024 341 L CA -0.497 54.449 54.840 0.177 0.000 0.810 341 L CB 1.148 43.331 42.059 0.207 0.000 1.240 341 L HN 0.695 nan 8.230 nan 0.000 0.427 342 A N 5.249 128.158 122.820 0.149 0.000 2.304 342 A HA 0.880 5.200 4.320 -0.000 0.000 0.301 342 A C -0.346 177.305 177.584 0.111 0.000 1.132 342 A CA -0.499 51.607 52.037 0.115 0.000 0.819 342 A CB 0.555 19.625 19.000 0.117 0.000 1.094 342 A HN 0.810 nan 8.150 nan 0.000 0.492 343 R N 0.586 121.104 120.500 0.030 0.000 2.836 343 R HA 0.658 4.998 4.340 -0.000 0.000 0.269 343 R C -0.951 175.227 176.300 -0.202 0.000 1.010 343 R CA -0.763 55.298 56.100 -0.063 0.000 0.930 343 R CB 2.468 32.745 30.300 -0.038 0.000 1.218 343 R HN 0.775 nan 8.270 nan 0.000 0.473 344 K N 0.442 120.549 120.400 -0.488 0.000 2.439 344 K HA 0.496 4.816 4.320 -0.000 0.000 0.260 344 K C -1.457 174.849 176.600 -0.492 0.000 1.032 344 K CA -0.960 54.994 56.287 -0.554 0.000 0.882 344 K CB 2.096 34.148 32.500 -0.747 0.000 1.420 344 K HN 0.541 nan 8.250 nan 0.000 0.455 345 Y N -2.799 117.402 120.300 -0.165 0.000 2.715 345 Y HA 0.815 5.365 4.550 -0.000 0.000 0.331 345 Y C -1.536 174.551 175.900 0.310 0.000 1.197 345 Y CA -1.270 56.870 58.100 0.067 0.000 1.079 345 Y CB 1.266 39.642 38.460 -0.140 0.000 1.298 345 Y HN 0.302 nan 8.280 nan 0.000 0.477 346 V N 1.128 121.360 119.914 0.530 0.000 3.023 346 V HA 0.664 4.783 4.120 -0.000 0.000 0.294 346 V C -2.149 173.924 176.094 -0.036 0.000 1.324 346 V CA -0.625 61.705 62.300 0.051 0.000 0.979 346 V CB 2.015 33.581 31.823 -0.428 0.000 1.093 346 V HN 0.889 nan 8.190 nan 0.000 0.434 347 V N 5.436 125.318 119.914 -0.052 0.000 2.409 347 V HA 0.673 4.792 4.120 -0.000 0.000 0.291 347 V C -0.599 175.399 176.094 -0.160 0.000 1.020 347 V CA -0.212 62.009 62.300 -0.132 0.000 0.848 347 V CB 1.706 33.545 31.823 0.026 0.000 0.990 347 V HN 1.037 nan 8.190 nan 0.000 0.430 348 D N 2.896 123.151 120.400 -0.241 0.000 2.547 348 D HA 0.579 5.219 4.640 -0.000 0.000 0.231 348 D C -1.490 174.749 176.300 -0.101 0.000 1.099 348 D CA -0.321 53.599 54.000 -0.132 0.000 0.901 348 D CB 2.370 43.034 40.800 -0.227 0.000 1.478 348 D HN 0.566 nan 8.370 nan 0.000 0.471 349 D N 1.688 122.090 120.400 0.003 0.000 2.300 349 D HA 0.125 4.765 4.640 -0.000 0.000 0.218 349 D C -1.116 175.221 176.300 0.062 0.000 1.326 349 D CA -0.212 53.794 54.000 0.010 0.000 0.942 349 D CB 0.774 41.573 40.800 -0.001 0.000 1.495 349 D HN 0.512 nan 8.370 nan 0.000 0.545 350 E N 1.518 121.770 120.200 0.087 0.000 2.396 350 E HA 0.654 5.003 4.350 -0.000 0.000 0.251 350 E C -0.417 176.234 176.600 0.085 0.000 0.949 350 E CA -1.086 55.378 56.400 0.106 0.000 0.834 350 E CB 2.575 32.381 29.700 0.178 0.000 1.309 350 E HN 0.270 nan 8.360 nan 0.000 0.405 351 K N 0.721 121.170 120.400 0.083 0.000 2.594 351 K HA 0.256 4.576 4.320 -0.000 0.000 0.262 351 K C -2.239 174.402 176.600 0.068 0.000 0.954 351 K CA -0.492 55.839 56.287 0.073 0.000 0.917 351 K CB 0.746 33.286 32.500 0.067 0.000 1.343 351 K HN 0.397 nan 8.250 nan 0.000 0.428 352 L N 0.508 121.767 121.223 0.060 0.000 2.424 352 L HA 0.629 4.969 4.340 -0.000 0.000 0.258 352 L C -1.354 175.531 176.870 0.026 0.000 0.995 352 L CA -0.417 54.452 54.840 0.048 0.000 0.821 352 L CB 1.984 44.066 42.059 0.038 0.000 1.383 352 L HN 0.653 nan 8.230 nan 0.000 0.410 353 Q N 1.452 121.279 119.800 0.045 0.000 2.345 353 Q HA 0.504 4.844 4.340 -0.000 0.000 0.268 353 Q C -1.455 174.536 176.000 -0.016 0.000 1.054 353 Q CA -0.475 55.338 55.803 0.016 0.000 0.835 353 Q CB 2.426 31.325 28.738 0.267 0.000 1.339 353 Q HN 0.890 nan 8.270 nan 0.000 0.447 354 N N 1.386 119.987 118.700 -0.165 0.000 2.549 354 N HA 0.378 5.118 4.740 -0.000 0.000 0.290 354 N C -1.990 173.485 175.510 -0.059 0.000 1.122 354 N CA -0.257 52.734 53.050 -0.099 0.000 0.885 354 N CB 1.136 39.522 38.487 -0.168 0.000 1.455 354 N HN 0.482 nan 8.380 nan 0.000 0.521 355 F N 2.855 122.834 119.950 0.047 0.000 2.469 355 F HA 0.644 5.171 4.527 -0.000 0.000 0.332 355 F C -0.995 174.822 175.800 0.028 0.000 1.103 355 F CA -0.132 57.982 58.000 0.191 0.000 0.979 355 F CB 1.619 40.859 39.000 0.399 0.000 1.137 355 F HN 0.214 nan 8.300 nan 0.000 0.463 356 S N 3.980 119.110 115.700 -0.951 0.000 2.546 356 S HA 0.802 5.272 4.470 -0.000 0.000 0.274 356 S C -1.375 172.786 174.600 -0.733 0.000 1.121 356 S CA -0.765 57.017 58.200 -0.697 0.000 0.887 356 S CB 1.803 64.786 63.200 -0.362 0.000 1.094 356 S HN 0.863 nan 8.310 nan 0.000 0.474 357 V N -0.606 119.119 119.914 -0.316 0.000 2.817 357 V HA 0.791 4.911 4.120 -0.000 0.000 0.303 357 V C -1.862 174.292 176.094 0.099 0.000 1.151 357 V CA -0.682 61.570 62.300 -0.080 0.000 0.929 357 V CB 1.921 33.811 31.823 0.112 0.000 1.030 357 V HN 0.797 nan 8.190 nan 0.000 0.427 358 D N 2.497 122.965 120.400 0.113 0.000 2.649 358 D HA 0.817 5.457 4.640 -0.000 0.000 0.249 358 D C -0.616 175.806 176.300 0.205 0.000 1.112 358 D CA 0.123 54.237 54.000 0.190 0.000 0.850 358 D CB 2.508 43.414 40.800 0.177 0.000 1.399 358 D HN 0.945 nan 8.370 nan 0.000 0.503 359 T N 1.896 116.582 114.554 0.220 0.000 2.921 359 T HA 0.666 5.016 4.350 -0.000 0.000 0.297 359 T C -0.870 173.918 174.700 0.147 0.000 1.013 359 T CA -1.041 61.175 62.100 0.194 0.000 0.990 359 T CB 1.549 70.528 68.868 0.186 0.000 1.023 359 T HN 0.434 nan 8.240 nan 0.000 0.447 360 Q N 1.715 121.594 119.800 0.132 0.000 2.353 360 Q HA 0.701 5.041 4.340 -0.000 0.000 0.275 360 Q C -2.003 174.044 176.000 0.079 0.000 1.029 360 Q CA -1.275 54.576 55.803 0.080 0.000 0.848 360 Q CB 2.277 31.096 28.738 0.135 0.000 1.390 360 Q HN 0.528 nan 8.270 nan 0.000 0.401 361 L N 1.466 122.725 121.223 0.059 0.000 2.313 361 L HA 0.426 4.766 4.340 -0.000 0.000 0.283 361 L C -0.912 176.037 176.870 0.133 0.000 1.013 361 L CA -0.103 54.794 54.840 0.096 0.000 0.816 361 L CB 1.896 43.997 42.059 0.069 0.000 1.236 361 L HN 0.822 nan 8.230 nan 0.000 0.419 362 Q N 3.061 122.961 119.800 0.166 0.000 2.325 362 Q HA 0.528 4.868 4.340 -0.000 0.000 0.262 362 Q C -1.300 174.822 176.000 0.202 0.000 0.968 362 Q CA -0.402 55.481 55.803 0.134 0.000 0.877 362 Q CB 1.249 30.037 28.738 0.083 0.000 1.253 362 Q HN 0.795 nan 8.270 nan 0.000 0.448 363 S N 4.314 120.074 115.700 0.100 0.000 2.474 363 S HA 0.397 4.867 4.470 -0.000 0.000 0.321 363 S C -0.997 173.408 174.600 -0.325 0.000 1.080 363 S CA -0.819 57.368 58.200 -0.021 0.000 1.106 363 S CB 0.830 64.139 63.200 0.182 0.000 0.984 363 S HN 0.402 nan 8.310 nan 0.000 0.464 364 K N 3.938 124.177 120.400 -0.269 0.000 2.316 364 K HA 0.565 4.885 4.320 -0.000 0.000 0.267 364 K C -0.764 175.748 176.600 -0.146 0.000 1.025 364 K CA -0.308 55.835 56.287 -0.240 0.000 0.896 364 K CB 0.599 33.035 32.500 -0.107 0.000 1.124 364 K HN 0.621 nan 8.250 nan 0.000 0.451 365 F N -0.573 119.370 119.950 -0.012 0.000 2.779 365 F HA 0.786 5.312 4.527 -0.000 0.000 0.316 365 F C -1.305 174.472 175.800 -0.039 0.000 1.164 365 F CA -1.614 56.361 58.000 -0.041 0.000 0.924 365 F CB 0.716 39.678 39.000 -0.063 0.000 1.348 365 F HN 0.379 nan 8.300 nan 0.000 0.467 366 A N -0.212 122.813 122.820 0.341 0.000 2.486 366 A HA 0.978 5.298 4.320 -0.000 0.000 0.277 366 A C -1.143 176.421 177.584 -0.035 0.000 1.282 366 A CA -0.450 51.630 52.037 0.071 0.000 0.784 366 A CB 1.251 20.262 19.000 0.020 0.000 1.350 366 A HN 1.429 nan 8.150 nan 0.000 0.454 367 T N -0.956 113.528 114.554 -0.115 0.000 4.058 367 T HA 0.520 4.870 4.350 -0.000 0.000 0.297 367 T C 0.040 174.724 174.700 -0.028 0.000 0.675 367 T CA 0.105 62.157 62.100 -0.081 0.000 0.974 367 T CB -0.041 68.769 68.868 -0.095 0.000 1.115 367 T HN 2.515 nan 8.240 nan 0.000 0.480 368 G N 3.431 112.237 108.800 0.010 0.000 2.274 368 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.251 368 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.251 368 G C 0.449 175.428 174.900 0.132 0.000 0.836 368 G CA 0.491 45.625 45.100 0.057 0.000 1.246 368 G HN 0.998 nan 8.290 nan 0.000 0.355 369 D N -1.347 119.133 120.400 0.133 0.000 2.758 369 D HA -0.238 4.402 4.640 -0.000 0.000 0.191 369 D C 0.997 177.505 176.300 0.345 0.000 1.036 369 D CA 1.833 55.957 54.000 0.206 0.000 1.030 369 D CB -0.902 40.075 40.800 0.294 0.000 1.109 369 D HN 0.788 nan 8.370 nan 0.000 0.430 370 I N 2.562 123.285 120.570 0.255 0.000 2.282 370 I HA 0.090 4.259 4.170 -0.000 0.000 0.290 370 I C 0.314 176.430 176.117 -0.001 0.000 1.090 370 I CA -0.287 61.151 61.300 0.230 0.000 1.231 370 I CB 0.634 38.688 38.000 0.090 0.000 1.434 370 I HN -0.209 nan 8.210 nan 0.000 0.487 371 D N 6.020 126.501 120.400 0.136 0.000 2.351 371 D HA 0.197 4.836 4.640 -0.000 0.000 0.251 371 D C -0.092 176.346 176.300 0.230 0.000 1.137 371 D CA 0.331 54.388 54.000 0.096 0.000 0.879 371 D CB 0.879 41.734 40.800 0.092 0.000 1.181 371 D HN 0.525 nan 8.370 nan 0.000 0.448 372 H N -0.069 118.993 119.070 -0.013 0.000 2.569 372 H HA 0.426 4.982 4.556 -0.000 0.000 0.357 372 H C -0.291 174.844 175.328 -0.321 0.000 1.153 372 H CA -0.797 55.141 56.048 -0.184 0.000 1.193 372 H CB 1.709 31.271 29.762 -0.333 0.000 1.602 372 H HN 0.191 nan 8.280 nan 0.000 0.523 373 T N 2.471 116.928 114.554 -0.162 0.000 3.135 373 T HA 0.166 4.515 4.350 -0.000 0.000 0.357 373 T C -0.738 173.858 174.700 -0.173 0.000 1.112 373 T CA -0.686 61.316 62.100 -0.165 0.000 1.290 373 T CB 0.092 68.921 68.868 -0.066 0.000 1.018 373 T HN 0.169 nan 8.240 nan 0.000 0.527 374 L N 3.382 124.455 121.223 -0.251 0.000 2.275 374 L HA 0.791 5.130 4.340 -0.000 0.000 0.288 374 L C -0.974 175.886 176.870 -0.017 0.000 1.046 374 L CA -0.913 53.848 54.840 -0.131 0.000 0.805 374 L CB 0.935 42.922 42.059 -0.120 0.000 1.193 374 L HN 0.555 nan 8.230 nan 0.000 0.426 375 L N 5.191 126.428 121.223 0.022 0.000 2.313 375 L HA 0.768 5.108 4.340 -0.000 0.000 0.283 375 L C -0.673 176.214 176.870 0.029 0.000 1.013 375 L CA 0.254 55.126 54.840 0.055 0.000 0.816 375 L CB 1.764 43.879 42.059 0.093 0.000 1.236 375 L HN 0.834 nan 8.230 nan 0.000 0.419 376 T N 2.398 116.939 114.554 -0.020 0.000 2.879 376 T HA 0.903 5.253 4.350 -0.000 0.000 0.290 376 T C -0.243 174.295 174.700 -0.269 0.000 0.993 376 T CA -0.555 61.472 62.100 -0.121 0.000 0.975 376 T CB 1.544 70.399 68.868 -0.021 0.000 0.981 376 T HN 0.939 nan 8.240 nan 0.000 0.439 377 G N 0.850 109.249 108.800 -0.668 0.000 2.632 377 G HA2 0.622 4.582 3.960 -0.000 0.000 0.292 377 G HA3 0.622 4.582 3.960 -0.000 0.000 0.292 377 G C -1.227 173.282 174.900 -0.651 0.000 1.465 377 G CA -0.615 44.091 45.100 -0.656 0.000 0.824 377 G HN 1.242 nan 8.290 nan 0.000 0.509 378 V N -1.102 118.754 119.914 -0.096 0.000 2.495 378 V HA 0.797 4.917 4.120 -0.000 0.000 0.298 378 V C -1.134 175.153 176.094 0.323 0.000 1.031 378 V CA -0.942 61.453 62.300 0.159 0.000 0.871 378 V CB 1.629 33.549 31.823 0.162 0.000 0.988 378 V HN 0.721 nan 8.190 nan 0.000 0.432 379 D N 3.714 124.380 120.400 0.444 0.000 2.391 379 D HA 0.649 5.289 4.640 -0.000 0.000 0.245 379 D C -1.285 175.250 176.300 0.392 0.000 1.069 379 D CA -0.256 53.976 54.000 0.387 0.000 0.831 379 D CB 1.754 42.763 40.800 0.349 0.000 1.204 379 D HN 0.632 nan 8.370 nan 0.000 0.503 380 F N 4.046 124.099 119.950 0.173 0.000 2.599 380 F HA 0.745 5.272 4.527 -0.000 0.000 0.311 380 F C -1.637 174.228 175.800 0.110 0.000 1.076 380 F CA -0.794 57.306 58.000 0.167 0.000 0.937 380 F CB 1.500 40.613 39.000 0.189 0.000 1.282 380 F HN 0.449 nan 8.300 nan 0.000 0.460 381 M N 4.246 123.056 119.600 -1.316 0.000 2.643 381 M HA 0.661 5.141 4.480 -0.000 0.000 0.276 381 M C -2.157 173.640 176.300 -0.839 0.000 1.200 381 M CA -0.613 54.126 55.300 -0.935 0.000 0.863 381 M CB 2.437 34.806 32.600 -0.385 0.000 1.711 381 M HN 0.639 nan 8.290 nan 0.000 0.492 382 R N 1.694 121.974 120.500 -0.367 0.000 2.643 382 R HA 0.907 5.247 4.340 -0.000 0.000 0.269 382 R C -1.795 174.502 176.300 -0.005 0.000 1.037 382 R CA -0.924 55.119 56.100 -0.096 0.000 0.894 382 R CB 2.104 32.458 30.300 0.089 0.000 1.238 382 R HN 0.897 nan 8.270 nan 0.000 0.459 383 M N 2.494 122.103 119.600 0.015 0.000 2.378 383 M HA 0.478 4.958 4.480 -0.000 0.000 0.289 383 M C -1.752 174.576 176.300 0.045 0.000 1.136 383 M CA -0.536 54.775 55.300 0.019 0.000 0.917 383 M CB 2.575 35.162 32.600 -0.023 0.000 1.669 383 M HN 0.934 nan 8.290 nan 0.000 0.461 384 R N 3.635 124.169 120.500 0.057 0.000 2.538 384 R HA 0.517 4.856 4.340 -0.000 0.000 0.292 384 R C -2.066 174.264 176.300 0.051 0.000 1.008 384 R CA -0.329 55.807 56.100 0.059 0.000 0.896 384 R CB 1.511 31.858 30.300 0.079 0.000 1.187 384 R HN 0.851 nan 8.270 nan 0.000 0.440 385 N N 2.013 120.737 118.700 0.040 0.000 2.346 385 N HA 0.213 4.953 4.740 -0.000 0.000 0.289 385 N C -1.890 173.633 175.510 0.022 0.000 1.027 385 N CA -0.478 52.598 53.050 0.042 0.000 0.864 385 N CB 1.828 40.347 38.487 0.054 0.000 1.370 385 N HN 0.501 nan 8.380 nan 0.000 0.481 386 D N 3.659 124.077 120.400 0.029 0.000 2.414 386 D HA 0.374 5.014 4.640 -0.000 0.000 0.232 386 D C -0.617 175.689 176.300 0.009 0.000 1.070 386 D CA -0.249 53.755 54.000 0.006 0.000 0.839 386 D CB 0.853 41.665 40.800 0.019 0.000 1.079 386 D HN 0.514 nan 8.370 nan 0.000 0.521 387 I N 2.982 123.525 120.570 -0.045 0.000 2.412 387 I HA 0.339 4.509 4.170 -0.000 0.000 0.296 387 I C 0.384 176.472 176.117 -0.048 0.000 0.987 387 I CA -0.683 60.594 61.300 -0.037 0.000 1.180 387 I CB 1.644 39.534 38.000 -0.183 0.000 1.340 387 I HN 0.223 nan 8.210 nan 0.000 0.455 388 N N 5.103 123.828 118.700 0.041 0.000 2.653 388 N HA 0.618 5.358 4.740 -0.000 0.000 0.261 388 N C -1.421 174.177 175.510 0.146 0.000 1.216 388 N CA -0.139 52.955 53.050 0.072 0.000 0.784 388 N CB 1.113 39.640 38.487 0.067 0.000 1.327 388 N HN 0.784 nan 8.380 nan 0.000 0.539 389 A N 2.498 125.457 122.820 0.233 0.000 2.389 389 A HA 0.719 5.039 4.320 -0.000 0.000 0.293 389 A C -1.881 175.925 177.584 0.370 0.000 1.186 389 A CA -0.628 51.564 52.037 0.258 0.000 0.828 389 A CB 1.656 20.850 19.000 0.322 0.000 1.369 389 A HN 0.600 nan 8.150 nan 0.000 0.446 390 W N 0.324 121.626 121.300 0.004 0.000 3.259 390 W HA 0.622 5.282 4.660 -0.000 0.000 0.331 390 W C -2.769 173.691 176.519 -0.098 0.000 1.144 390 W CA -0.811 56.600 57.345 0.110 0.000 1.227 390 W CB 1.840 31.399 29.460 0.164 0.000 1.371 390 W HN 0.519 nan 8.180 nan 0.000 0.491 391 F N 2.542 122.544 119.950 0.088 0.000 2.495 391 F HA 0.575 5.102 4.527 -0.000 0.000 0.327 391 F C 1.011 176.689 175.800 -0.203 0.000 1.103 391 F CA -0.626 57.417 58.000 0.072 0.000 0.949 391 F CB 1.861 40.994 39.000 0.221 0.000 1.142 391 F HN 0.315 nan 8.300 nan 0.000 0.457 392 G N 2.537 111.075 108.800 -0.438 0.000 2.353 392 G HA2 0.403 4.363 3.960 -0.000 0.000 0.284 392 G HA3 0.403 4.363 3.960 -0.000 0.000 0.284 392 G C -1.023 173.932 174.900 0.091 0.000 1.172 392 G CA -0.107 44.643 45.100 -0.583 0.000 0.854 392 G HN 0.366 nan 8.290 nan 0.000 0.485 393 Y N 0.171 120.388 120.300 -0.139 0.000 2.771 393 Y HA 0.338 4.888 4.550 -0.000 0.000 0.359 393 Y C 1.068 176.885 175.900 -0.139 0.000 1.247 393 Y CA -1.922 56.098 58.100 -0.133 0.000 1.324 393 Y CB -0.169 38.244 38.460 -0.078 0.000 1.539 393 Y HN 0.370 nan 8.280 nan 0.000 0.698 394 D N 1.456 121.908 120.400 0.086 0.000 2.478 394 D HA -0.078 4.561 4.640 -0.000 0.000 0.234 394 D C 0.131 176.455 176.300 0.040 0.000 1.154 394 D CA 1.054 55.063 54.000 0.016 0.000 0.874 394 D CB 0.271 41.099 40.800 0.048 0.000 1.198 394 D HN 0.468 nan 8.370 nan 0.000 0.455 395 D N 0.186 120.602 120.400 0.026 0.000 3.068 395 D HA -0.238 4.402 4.640 -0.000 0.000 0.219 395 D C 1.394 177.741 176.300 0.078 0.000 1.175 395 D CA 1.292 55.318 54.000 0.044 0.000 0.942 395 D CB -1.232 39.593 40.800 0.041 0.000 1.127 395 D HN 0.493 nan 8.370 nan 0.000 0.404 396 S N -0.935 114.818 115.700 0.088 0.000 2.442 396 S HA -0.003 4.467 4.470 -0.000 0.000 0.236 396 S C 0.917 175.721 174.600 0.339 0.000 1.007 396 S CA 0.958 59.267 58.200 0.181 0.000 0.965 396 S CB 0.553 63.812 63.200 0.099 0.000 0.773 396 S HN 0.470 nan 8.310 nan 0.000 0.504 397 V N 1.327 121.382 119.914 0.234 0.000 2.851 397 V HA 0.528 4.648 4.120 -0.000 0.000 0.307 397 V C -2.934 173.257 176.094 0.161 0.000 1.129 397 V CA -2.461 60.020 62.300 0.302 0.000 0.932 397 V CB 2.054 33.965 31.823 0.146 0.000 1.024 397 V HN 0.064 nan 8.190 nan 0.000 0.426 398 P HA 0.038 nan 4.420 nan 0.000 0.259 398 P C 0.381 177.741 177.300 0.100 0.000 1.163 398 P CA 0.415 63.577 63.100 0.103 0.000 0.760 398 P CB 0.272 32.031 31.700 0.098 0.000 0.762 399 L N 2.978 124.250 121.223 0.081 0.000 2.473 399 L HA 0.068 4.408 4.340 -0.000 0.000 0.280 399 L C 1.069 178.040 176.870 0.168 0.000 1.266 399 L CA 0.370 55.276 54.840 0.109 0.000 0.824 399 L CB -0.354 41.747 42.059 0.069 0.000 1.091 399 L HN 0.327 nan 8.230 nan 0.000 0.534 400 L N 1.637 122.994 121.223 0.223 0.000 2.385 400 L HA 0.314 4.654 4.340 -0.000 0.000 0.273 400 L C -0.050 176.986 176.870 0.275 0.000 0.990 400 L CA -0.525 54.463 54.840 0.246 0.000 0.821 400 L CB 1.848 44.058 42.059 0.251 0.000 1.279 400 L HN 0.555 nan 8.230 nan 0.000 0.412 401 N N 4.143 122.989 118.700 0.243 0.000 2.402 401 N HA 0.154 4.894 4.740 -0.000 0.000 0.252 401 N C 0.576 176.129 175.510 0.072 0.000 1.118 401 N CA -0.090 52.985 53.050 0.041 0.000 0.945 401 N CB 1.082 39.631 38.487 0.104 0.000 1.147 401 N HN 0.632 nan 8.380 nan 0.000 0.495 402 L N 3.489 124.726 121.223 0.023 0.000 2.478 402 L HA -0.053 4.286 4.340 -0.000 0.000 0.223 402 L C 1.670 178.573 176.870 0.055 0.000 1.140 402 L CA 0.218 55.072 54.840 0.023 0.000 0.842 402 L CB -0.474 41.577 42.059 -0.013 0.000 0.953 402 L HN 0.532 nan 8.230 nan 0.000 0.452 403 Y N 1.751 122.062 120.300 0.019 0.000 2.207 403 Y HA -0.329 4.221 4.550 -0.000 0.000 0.287 403 Y C 2.404 178.274 175.900 -0.051 0.000 1.156 403 Y CA 1.810 59.882 58.100 -0.048 0.000 1.182 403 Y CB -0.283 38.061 38.460 -0.194 0.000 0.979 403 Y HN 0.267 nan 8.280 nan 0.000 0.521 404 N N 0.040 118.753 118.700 0.022 0.000 2.036 404 N HA -0.131 4.609 4.740 -0.000 0.000 0.195 404 N C -1.998 173.490 175.510 -0.036 0.000 1.037 404 N CA 0.836 53.877 53.050 -0.015 0.000 0.855 404 N CB -1.177 37.389 38.487 0.131 0.000 1.033 404 N HN 0.105 nan 8.380 nan 0.000 0.423 405 P HA 0.004 nan 4.420 nan 0.000 0.254 405 P C -0.535 176.750 177.300 -0.024 0.000 1.186 405 P CA 0.184 63.396 63.100 0.188 0.000 0.868 405 P CB 0.705 32.418 31.700 0.022 0.000 0.856 406 S N 1.170 116.828 115.700 -0.071 0.000 4.359 406 S HA 0.256 4.726 4.470 -0.000 0.000 0.202 406 S C 1.478 175.937 174.600 -0.234 0.000 1.078 406 S CA 0.287 58.360 58.200 -0.211 0.000 1.776 406 S CB 0.064 63.111 63.200 -0.254 0.000 0.891 406 S HN 0.196 nan 8.310 nan 0.000 0.780 407 S N -0.563 115.010 115.700 -0.212 0.000 2.502 407 S HA 0.118 4.588 4.470 -0.000 0.000 0.215 407 S C 1.584 176.141 174.600 -0.070 0.000 1.009 407 S CA 0.554 58.640 58.200 -0.191 0.000 0.908 407 S CB -0.606 62.473 63.200 -0.202 0.000 0.801 407 S HN 0.725 nan 8.310 nan 0.000 0.505 408 H N 0.068 119.054 119.070 -0.140 0.000 2.482 408 H HA 0.201 4.756 4.556 -0.000 0.000 0.286 408 H C 1.587 176.976 175.328 0.102 0.000 1.017 408 H CA 1.576 57.578 56.048 -0.077 0.000 1.322 408 H CB -0.115 29.557 29.762 -0.150 0.000 1.426 408 H HN 0.371 nan 8.280 nan 0.000 0.546 409 H N -1.362 117.709 119.070 0.003 0.000 2.551 409 H HA 0.086 4.641 4.556 -0.000 0.000 0.266 409 H C 1.301 176.675 175.328 0.077 0.000 0.964 409 H CA 0.775 56.834 56.048 0.019 0.000 1.180 409 H CB 0.191 30.007 29.762 0.090 0.000 1.408 409 H HN 0.487 nan 8.280 nan 0.000 0.563 410 H N -1.041 118.043 119.070 0.023 0.000 2.283 410 H HA 0.079 4.635 4.556 -0.000 0.000 0.323 410 H C 2.115 177.461 175.328 0.030 0.000 1.088 410 H CA 1.269 57.295 56.048 -0.036 0.000 1.511 410 H CB -0.144 29.539 29.762 -0.131 0.000 1.473 410 H HN 0.323 nan 8.280 nan 0.000 0.564 411 H N -0.291 118.872 119.070 0.156 0.000 2.343 411 H HA -0.015 4.541 4.556 -0.000 0.000 0.307 411 H C 0.344 175.752 175.328 0.133 0.000 1.045 411 H CA 0.584 56.712 56.048 0.134 0.000 1.281 411 H CB -0.188 29.704 29.762 0.216 0.000 1.425 411 H HN 0.457 nan 8.280 nan 0.000 0.540 412 H N 1.249 120.373 119.070 0.089 0.000 4.802 412 H HA -0.041 4.515 4.556 -0.000 0.000 0.176 412 H C -0.398 174.860 175.328 -0.117 0.000 1.170 412 H CA -0.119 55.906 56.048 -0.039 0.000 1.431 412 H CB -0.930 28.886 29.762 0.089 0.000 1.667 412 H HN 0.412 nan 8.280 nan 0.000 0.880 413 H N -1.192 117.889 119.070 0.019 0.000 3.087 413 H HA -0.110 4.446 4.556 -0.000 0.000 0.193 413 H C 0.401 175.709 175.328 -0.034 0.000 1.063 413 H CA 0.240 56.264 56.048 -0.039 0.000 1.566 413 H CB -0.555 29.160 29.762 -0.079 0.000 1.737 413 H HN 0.681 nan 8.280 nan 0.000 0.349 414 G N 0.081 108.970 108.800 0.149 0.000 2.597 414 G HA2 0.563 4.522 3.960 -0.000 0.000 0.317 414 G HA3 0.563 4.522 3.960 -0.000 0.000 0.317 414 G C 0.112 174.982 174.900 -0.050 0.000 1.230 414 G CA 0.052 45.174 45.100 0.037 0.000 0.996 414 G HN 0.818 nan 8.290 nan 0.000 0.490 415 S N -0.919 114.666 115.700 -0.190 0.000 2.589 415 S HA 0.355 4.825 4.470 -0.000 0.000 0.256 415 S C 0.498 174.937 174.600 -0.268 0.000 1.383 415 S CA 0.259 58.154 58.200 -0.509 0.000 0.983 415 S CB 1.042 64.141 63.200 -0.169 0.000 0.908 415 S HN 0.902 nan 8.310 nan 0.000 0.572 416 S N -0.619 114.938 115.700 -0.238 0.000 2.532 416 S HA 0.412 4.882 4.470 -0.000 0.000 0.301 416 S C -0.422 174.159 174.600 -0.032 0.000 1.083 416 S CA -0.805 57.352 58.200 -0.070 0.000 1.025 416 S CB 1.349 64.554 63.200 0.009 0.000 1.056 416 S HN 1.142 nan 8.310 nan 0.000 0.494 417 V N 6.219 126.120 119.914 -0.022 0.000 2.539 417 V HA 0.099 4.218 4.120 -0.000 0.000 0.300 417 V C 0.713 176.816 176.094 0.015 0.000 1.019 417 V CA 0.310 62.602 62.300 -0.014 0.000 1.160 417 V CB -0.517 31.306 31.823 -0.001 0.000 0.901 417 V HN 0.957 nan 8.190 nan 0.000 0.481 418 N N 4.207 122.918 118.700 0.018 0.000 2.237 418 N HA 0.118 4.858 4.740 -0.000 0.000 0.261 418 N C 0.287 175.826 175.510 0.049 0.000 1.267 418 N CA 0.749 53.829 53.050 0.050 0.000 0.901 418 N CB -0.001 38.519 38.487 0.055 0.000 0.986 418 N HN 0.844 nan 8.380 nan 0.000 0.450 419 T N -0.778 113.810 114.554 0.057 0.000 2.910 419 T HA 0.307 4.656 4.350 -0.000 0.000 0.279 419 T C 0.004 174.736 174.700 0.053 0.000 0.989 419 T CA -0.806 61.324 62.100 0.049 0.000 0.968 419 T CB 0.661 69.555 68.868 0.043 0.000 1.135 419 T HN 0.175 nan 8.240 nan 0.000 0.562 420 D N -0.387 120.035 120.400 0.037 0.000 2.223 420 D HA 0.539 5.179 4.640 -0.000 0.000 0.250 420 D C -0.662 175.663 176.300 0.043 0.000 1.287 420 D CA 0.105 54.127 54.000 0.038 0.000 0.977 420 D CB 0.151 40.956 40.800 0.007 0.000 1.177 420 D HN 0.468 nan 8.370 nan 0.000 0.536 421 F N -1.305 118.490 119.950 -0.259 0.000 2.773 421 F HA 0.140 4.667 4.527 -0.000 0.000 0.314 421 F C 0.209 175.676 175.800 -0.556 0.000 1.160 421 F CA -0.731 56.986 58.000 -0.472 0.000 0.920 421 F CB 1.358 39.899 39.000 -0.766 0.000 1.323 421 F HN 0.271 nan 8.300 nan 0.000 0.457 422 D N 1.051 120.526 120.400 -1.542 0.000 2.092 422 D HA 0.020 4.660 4.640 -0.000 0.000 0.203 422 D C 1.257 177.288 176.300 -0.447 0.000 0.978 422 D CA 2.782 56.235 54.000 -0.911 0.000 0.861 422 D CB 0.028 40.247 40.800 -0.968 0.000 1.005 422 D HN 0.482 nan 8.370 nan 0.000 0.450 423 F N -1.061 118.719 119.950 -0.283 0.000 2.542 423 F HA -0.381 4.145 4.527 -0.000 0.000 0.713 423 F C 1.817 177.480 175.800 -0.228 0.000 0.486 423 F CA 1.519 59.407 58.000 -0.187 0.000 0.763 423 F CB -1.908 37.040 39.000 -0.087 0.000 1.628 423 F HN 0.129 nan 8.300 nan 0.000 0.270 424 N N 0.898 119.589 118.700 -0.015 0.000 2.043 424 N HA -0.014 4.725 4.740 -0.000 0.000 0.193 424 N C 1.205 176.608 175.510 -0.179 0.000 1.037 424 N CA 1.489 54.479 53.050 -0.100 0.000 0.851 424 N CB -0.500 37.938 38.487 -0.081 0.000 1.027 424 N HN 0.462 nan 8.380 nan 0.000 0.422 425 A N 2.188 124.894 122.820 -0.190 0.000 3.037 425 A HA 0.094 4.414 4.320 -0.000 0.000 0.272 425 A C -0.208 177.275 177.584 -0.169 0.000 1.723 425 A CA -0.247 51.681 52.037 -0.181 0.000 1.413 425 A CB -0.680 18.216 19.000 -0.173 0.000 1.112 425 A HN 0.166 nan 8.150 nan 0.000 0.606 426 K N 2.086 122.329 120.400 -0.261 0.000 2.166 426 K HA 0.109 4.428 4.320 -0.000 0.000 0.273 426 K C -0.439 176.168 176.600 0.012 0.000 1.095 426 K CA -0.304 55.826 56.287 -0.263 0.000 0.985 426 K CB 0.304 32.060 32.500 -1.239 0.000 1.172 426 K HN 0.597 nan 8.250 nan 0.000 0.401 427 D N 3.296 123.766 120.400 0.118 0.000 2.389 427 D HA 0.065 4.704 4.640 -0.000 0.000 0.247 427 D C -1.768 174.648 176.300 0.193 0.000 1.128 427 D CA -2.433 51.639 54.000 0.119 0.000 0.884 427 D CB 1.284 42.126 40.800 0.071 0.000 1.194 427 D HN 0.121 nan 8.370 nan 0.000 0.441 428 P HA 0.013 nan 4.420 nan 0.000 0.230 428 P C 0.427 177.758 177.300 0.051 0.000 1.158 428 P CA 0.938 64.118 63.100 0.132 0.000 0.769 428 P CB 0.253 32.020 31.700 0.110 0.000 0.807 429 A N 1.587 124.434 122.820 0.045 0.000 1.826 429 A HA -0.162 4.158 4.320 -0.000 0.000 0.214 429 A C 2.113 179.689 177.584 -0.013 0.000 1.212 429 A CA 1.701 53.751 52.037 0.022 0.000 0.605 429 A CB -1.461 17.558 19.000 0.030 0.000 0.861 429 A HN 0.253 nan 8.150 nan 0.000 0.447 430 N N 0.362 119.060 118.700 -0.002 0.000 2.331 430 N HA -0.052 4.688 4.740 -0.000 0.000 0.180 430 N C 0.686 176.020 175.510 -0.293 0.000 1.019 430 N CA 1.538 54.566 53.050 -0.036 0.000 0.881 430 N CB -0.363 38.167 38.487 0.072 0.000 0.972 430 N HN 0.541 nan 8.380 nan 0.000 0.435 431 S N -2.304 113.230 115.700 -0.276 0.000 2.851 431 S HA 0.887 5.357 4.470 -0.000 0.000 0.313 431 S C -0.136 174.150 174.600 -0.524 0.000 1.163 431 S CA -0.290 57.553 58.200 -0.594 0.000 0.850 431 S CB 1.950 65.196 63.200 0.077 0.000 1.245 431 S HN 0.498 nan 8.310 nan 0.000 0.558 432 G N -0.267 108.035 108.800 -0.830 0.000 2.600 432 G HA2 0.719 4.679 3.960 -0.000 0.000 0.293 432 G HA3 0.719 4.679 3.960 -0.000 0.000 0.293 432 G C -3.563 170.308 174.900 -1.715 0.000 1.408 432 G CA -1.157 43.402 45.100 -0.902 0.000 0.782 432 G HN 0.641 nan 8.290 nan 0.000 0.482 433 P HA 0.469 nan 4.420 nan 0.000 0.292 433 P C -2.049 175.205 177.300 -0.077 0.000 1.300 433 P CA -0.615 62.028 63.100 -0.762 0.000 0.900 433 P CB 2.299 33.758 31.700 -0.403 0.000 1.139 434 Y N 2.317 122.622 120.300 0.008 0.000 2.329 434 Y HA 0.446 4.996 4.550 -0.000 0.000 0.328 434 Y C -0.527 175.420 175.900 0.079 0.000 0.992 434 Y CA -0.681 57.482 58.100 0.105 0.000 1.151 434 Y CB 1.510 40.181 38.460 0.352 0.000 1.150 434 Y HN 0.250 nan 8.280 nan 0.000 0.450 435 R N 7.824 128.103 120.500 -0.368 0.000 2.539 435 R HA 0.538 4.877 4.340 -0.000 0.000 0.295 435 R C -1.576 174.478 176.300 -0.410 0.000 1.138 435 R CA -0.581 55.337 56.100 -0.304 0.000 0.936 435 R CB 1.455 31.694 30.300 -0.102 0.000 1.182 435 R HN 0.496 nan 8.270 nan 0.000 0.459 436 I N 3.071 123.346 120.570 -0.493 0.000 2.892 436 I HA 0.466 4.636 4.170 -0.000 0.000 0.306 436 I C -0.615 175.374 176.117 -0.213 0.000 1.078 436 I CA -1.137 59.934 61.300 -0.382 0.000 1.032 436 I CB 2.292 39.973 38.000 -0.531 0.000 1.229 436 I HN 0.444 nan 8.210 nan 0.000 0.435 437 L N 3.856 125.001 121.223 -0.131 0.000 2.492 437 L HA 0.452 4.791 4.340 -0.000 0.000 0.258 437 L C -1.170 175.677 176.870 -0.038 0.000 1.028 437 L CA -0.089 54.711 54.840 -0.066 0.000 0.900 437 L CB 0.523 42.560 42.059 -0.037 0.000 1.191 437 L HN 0.465 nan 8.230 nan 0.000 0.459 438 N N 3.744 122.427 118.700 -0.029 0.000 2.499 438 N HA 0.461 5.201 4.740 -0.000 0.000 0.281 438 N C -0.991 174.532 175.510 0.022 0.000 1.098 438 N CA -0.326 52.725 53.050 0.002 0.000 0.979 438 N CB 1.137 39.632 38.487 0.014 0.000 1.121 438 N HN 0.447 nan 8.380 nan 0.000 0.466 439 K N 1.655 122.075 120.400 0.032 0.000 2.318 439 K HA 0.434 4.754 4.320 -0.000 0.000 0.249 439 K C -0.936 175.694 176.600 0.050 0.000 0.942 439 K CA -0.717 55.597 56.287 0.045 0.000 0.808 439 K CB 1.797 34.328 32.500 0.052 0.000 1.189 439 K HN 0.459 nan 8.250 nan 0.000 0.428 440 Q N 1.575 121.406 119.800 0.050 0.000 2.379 440 Q HA 0.413 4.753 4.340 -0.000 0.000 0.278 440 Q C -1.597 174.434 176.000 0.052 0.000 1.068 440 Q CA -0.832 54.999 55.803 0.047 0.000 0.816 440 Q CB 3.077 31.826 28.738 0.020 0.000 1.387 440 Q HN 0.336 nan 8.270 nan 0.000 0.413 441 K N 1.737 122.181 120.400 0.073 0.000 2.550 441 K HA 0.319 4.639 4.320 -0.000 0.000 0.252 441 K C -1.949 174.729 176.600 0.129 0.000 0.943 441 K CA -0.277 56.066 56.287 0.093 0.000 0.806 441 K CB 2.296 34.903 32.500 0.178 0.000 1.289 441 K HN 0.593 nan 8.250 nan 0.000 0.435 442 Q N 1.783 121.636 119.800 0.089 0.000 2.377 442 Q HA 0.545 4.885 4.340 -0.000 0.000 0.279 442 Q C -1.851 174.322 176.000 0.288 0.000 1.049 442 Q CA -0.619 55.300 55.803 0.194 0.000 0.825 442 Q CB 2.459 31.278 28.738 0.135 0.000 1.401 442 Q HN 0.623 nan 8.270 nan 0.000 0.404 443 T N 0.464 115.289 114.554 0.451 0.000 3.032 443 T HA 0.791 5.140 4.350 -0.000 0.000 0.312 443 T C -0.563 174.471 174.700 0.556 0.000 1.078 443 T CA -0.585 61.857 62.100 0.569 0.000 1.028 443 T CB 1.549 70.765 68.868 0.581 0.000 1.091 443 T HN 0.736 nan 8.240 nan 0.000 0.457 444 G N 0.833 109.929 108.800 0.494 0.000 2.690 444 G HA2 0.748 4.708 3.960 -0.000 0.000 0.293 444 G HA3 0.748 4.708 3.960 -0.000 0.000 0.293 444 G C -1.021 174.181 174.900 0.503 0.000 1.399 444 G CA -0.769 44.617 45.100 0.476 0.000 0.890 444 G HN 1.280 nan 8.290 nan 0.000 0.485 445 V N -1.013 119.194 119.914 0.487 0.000 2.823 445 V HA 0.952 5.072 4.120 -0.000 0.000 0.312 445 V C -0.971 175.361 176.094 0.397 0.000 1.072 445 V CA -1.256 61.255 62.300 0.352 0.000 0.937 445 V CB 0.902 32.899 31.823 0.291 0.000 1.013 445 V HN 1.231 nan 8.190 nan 0.000 0.430 446 Y N 1.408 121.809 120.300 0.167 0.000 2.625 446 Y HA 0.947 5.496 4.550 -0.000 0.000 0.338 446 Y C -1.099 174.873 175.900 0.119 0.000 1.123 446 Y CA -1.710 56.473 58.100 0.139 0.000 1.046 446 Y CB 1.617 40.116 38.460 0.064 0.000 1.299 446 Y HN 0.578 nan 8.280 nan 0.000 0.464 447 V N 2.035 122.082 119.914 0.221 0.000 3.012 447 V HA 0.624 4.744 4.120 -0.000 0.000 0.307 447 V C -1.210 174.983 176.094 0.164 0.000 1.166 447 V CA -0.664 61.716 62.300 0.135 0.000 0.974 447 V CB 2.009 33.901 31.823 0.114 0.000 1.040 447 V HN 0.903 nan 8.190 nan 0.000 0.428 448 Q N 2.021 121.889 119.800 0.115 0.000 2.438 448 Q HA 0.453 4.793 4.340 -0.000 0.000 0.272 448 Q C -2.424 173.594 176.000 0.031 0.000 0.994 448 Q CA -0.519 55.336 55.803 0.087 0.000 0.887 448 Q CB 3.022 31.815 28.738 0.091 0.000 1.432 448 Q HN 0.913 nan 8.270 nan 0.000 0.392 449 D N 1.585 121.984 120.400 -0.002 0.000 2.649 449 D HA 0.236 4.876 4.640 -0.000 0.000 0.249 449 D C -1.210 175.054 176.300 -0.060 0.000 1.112 449 D CA -0.128 53.828 54.000 -0.074 0.000 0.850 449 D CB 1.516 42.228 40.800 -0.147 0.000 1.399 449 D HN 0.352 nan 8.370 nan 0.000 0.503 450 Q N 2.428 122.189 119.800 -0.066 0.000 2.834 450 Q HA 0.474 4.813 4.340 -0.000 0.000 0.271 450 Q C -0.754 175.250 176.000 0.008 0.000 1.196 450 Q CA -0.722 55.069 55.803 -0.021 0.000 1.063 450 Q CB 1.397 30.126 28.738 -0.016 0.000 1.265 450 Q HN 0.480 nan 8.270 nan 0.000 0.526 451 A N 2.417 125.246 122.820 0.015 0.000 2.410 451 A HA 0.110 4.430 4.320 -0.000 0.000 0.292 451 A C -0.163 177.544 177.584 0.205 0.000 1.232 451 A CA -0.112 52.016 52.037 0.152 0.000 0.893 451 A CB 0.205 19.255 19.000 0.082 0.000 1.131 451 A HN 0.578 nan 8.150 nan 0.000 0.530 452 Q N 2.424 122.353 119.800 0.216 0.000 2.331 452 Q HA 0.301 4.641 4.340 -0.000 0.000 0.257 452 Q C -1.130 175.035 176.000 0.275 0.000 0.957 452 Q CA -0.434 55.489 55.803 0.199 0.000 0.923 452 Q CB 0.702 29.514 28.738 0.124 0.000 1.212 452 Q HN 0.790 nan 8.270 nan 0.000 0.443 453 W N 6.472 127.820 121.300 0.080 0.000 1.864 453 W HA 0.271 4.931 4.660 -0.000 0.000 0.296 453 W C -1.103 175.450 176.519 0.056 0.000 0.794 453 W CA -0.542 56.843 57.345 0.066 0.000 2.180 453 W CB -0.131 29.369 29.460 0.067 0.000 2.332 453 W HN 0.790 nan 8.180 nan 0.000 0.417 454 D N 2.377 122.692 120.400 -0.142 0.000 5.864 454 D HA -0.250 4.390 4.640 -0.000 0.000 0.244 454 D C 0.530 176.760 176.300 -0.116 0.000 1.511 454 D CA 1.086 54.962 54.000 -0.207 0.000 1.451 454 D CB -0.073 40.467 40.800 -0.433 0.000 0.732 454 D HN 0.282 nan 8.370 nan 0.000 0.394 455 K N -1.238 119.175 120.400 0.022 0.000 3.281 455 K HA -0.197 4.123 4.320 -0.000 0.000 0.308 455 K C -0.392 176.340 176.600 0.221 0.000 1.218 455 K CA 1.238 57.623 56.287 0.164 0.000 0.923 455 K CB -0.851 31.764 32.500 0.192 0.000 1.222 455 K HN 0.405 nan 8.250 nan 0.000 0.440 456 V N 1.271 121.266 119.914 0.135 0.000 2.383 456 V HA 0.287 4.407 4.120 -0.000 0.000 0.264 456 V C -0.590 175.621 176.094 0.195 0.000 1.001 456 V CA -0.661 61.732 62.300 0.156 0.000 0.828 456 V CB 1.038 32.994 31.823 0.221 0.000 1.069 456 V HN 0.219 nan 8.190 nan 0.000 0.451 457 L N 4.418 125.744 121.223 0.171 0.000 2.290 457 L HA 0.709 5.049 4.340 -0.000 0.000 0.284 457 L C -0.388 176.561 176.870 0.132 0.000 1.078 457 L CA -0.041 54.885 54.840 0.143 0.000 0.815 457 L CB 1.534 43.659 42.059 0.110 0.000 1.162 457 L HN 0.421 nan 8.230 nan 0.000 0.435 458 V N 4.822 124.809 119.914 0.121 0.000 2.483 458 V HA 0.582 4.702 4.120 -0.000 0.000 0.297 458 V C -0.371 175.760 176.094 0.061 0.000 1.027 458 V CA -0.066 62.292 62.300 0.098 0.000 0.855 458 V CB 2.086 33.980 31.823 0.117 0.000 0.995 458 V HN 0.886 nan 8.190 nan 0.000 0.424 459 T N 6.783 121.356 114.554 0.032 0.000 2.867 459 T HA 0.813 5.163 4.350 -0.000 0.000 0.282 459 T C -0.680 174.041 174.700 0.036 0.000 1.000 459 T CA -0.537 61.572 62.100 0.016 0.000 1.042 459 T CB 1.694 70.552 68.868 -0.015 0.000 0.973 459 T HN 0.846 nan 8.240 nan 0.000 0.465 460 L N 0.964 122.218 121.223 0.052 0.000 2.506 460 L HA 0.843 5.183 4.340 -0.000 0.000 0.257 460 L C -0.430 176.511 176.870 0.118 0.000 0.964 460 L CA 0.215 55.123 54.840 0.113 0.000 0.836 460 L CB 1.921 44.056 42.059 0.128 0.000 1.384 460 L HN 1.120 nan 8.230 nan 0.000 0.410 461 G N 0.879 109.793 108.800 0.191 0.000 2.322 461 G HA2 0.615 4.575 3.960 -0.000 0.000 0.295 461 G HA3 0.615 4.575 3.960 -0.000 0.000 0.295 461 G C -1.376 173.681 174.900 0.262 0.000 1.369 461 G CA 0.025 45.240 45.100 0.192 0.000 0.821 461 G HN 1.176 nan 8.290 nan 0.000 0.536 462 G N -1.228 107.726 108.800 0.258 0.000 2.649 462 G HA2 0.863 4.823 3.960 -0.000 0.000 0.290 462 G HA3 0.863 4.823 3.960 -0.000 0.000 0.290 462 G C -1.425 173.614 174.900 0.232 0.000 1.426 462 G CA -0.274 44.957 45.100 0.218 0.000 0.794 462 G HN 0.980 nan 8.290 nan 0.000 0.483 463 R N -0.889 119.646 120.500 0.059 0.000 2.594 463 R HA 0.528 4.868 4.340 -0.000 0.000 0.265 463 R C -2.256 174.219 176.300 0.292 0.000 1.070 463 R CA -0.807 55.442 56.100 0.249 0.000 0.909 463 R CB 1.951 32.350 30.300 0.165 0.000 1.243 463 R HN 0.606 nan 8.270 nan 0.000 0.455 464 Y N 2.082 122.554 120.300 0.287 0.000 2.420 464 Y HA 0.496 5.046 4.550 -0.000 0.000 0.334 464 Y C -0.914 174.963 175.900 -0.038 0.000 1.094 464 Y CA -0.226 57.952 58.100 0.131 0.000 1.126 464 Y CB 1.783 40.238 38.460 -0.008 0.000 1.217 464 Y HN 0.598 nan 8.280 nan 0.000 0.462 465 D N 3.581 123.518 120.400 -0.772 0.000 2.819 465 D HA 0.180 4.820 4.640 -0.000 0.000 0.232 465 D C -1.558 174.373 176.300 -0.614 0.000 1.160 465 D CA -0.232 53.523 54.000 -0.409 0.000 0.858 465 D CB 1.639 42.381 40.800 -0.096 0.000 1.610 465 D HN 0.603 nan 8.370 nan 0.000 0.481 466 W N 1.884 123.195 121.300 0.019 0.000 2.443 466 W HA 0.509 5.169 4.660 -0.000 0.000 0.303 466 W C -0.729 175.859 176.519 0.115 0.000 0.991 466 W CA -0.767 56.617 57.345 0.064 0.000 1.522 466 W CB 1.345 30.898 29.460 0.155 0.000 1.315 466 W HN 0.297 nan 8.180 nan 0.000 0.419 467 A N 3.351 126.313 122.820 0.237 0.000 2.267 467 A HA 0.593 4.913 4.320 -0.000 0.000 0.315 467 A C -0.482 177.217 177.584 0.192 0.000 1.297 467 A CA -0.374 51.800 52.037 0.228 0.000 0.865 467 A CB 0.764 19.914 19.000 0.251 0.000 1.165 467 A HN 0.353 nan 8.150 nan 0.000 0.513 468 D N 2.166 122.678 120.400 0.186 0.000 2.350 468 D HA 0.459 5.099 4.640 -0.000 0.000 0.245 468 D C -0.254 176.118 176.300 0.120 0.000 1.036 468 D CA -0.143 53.948 54.000 0.152 0.000 0.848 468 D CB 1.804 42.701 40.800 0.161 0.000 1.307 468 D HN 0.749 nan 8.370 nan 0.000 0.469 469 Q N -0.264 119.595 119.800 0.098 0.000 2.458 469 Q HA 0.694 5.033 4.340 -0.000 0.000 0.282 469 Q C -1.133 174.907 176.000 0.067 0.000 1.106 469 Q CA -0.932 54.919 55.803 0.079 0.000 0.814 469 Q CB 3.126 31.908 28.738 0.074 0.000 1.425 469 Q HN 0.403 nan 8.270 nan 0.000 0.437 470 E N 0.903 121.136 120.200 0.055 0.000 2.522 470 E HA 0.241 4.590 4.350 -0.000 0.000 0.315 470 E C -2.053 174.566 176.600 0.032 0.000 0.917 470 E CA -0.200 56.226 56.400 0.044 0.000 0.796 470 E CB 2.045 31.772 29.700 0.046 0.000 1.323 470 E HN 0.608 nan 8.360 nan 0.000 0.397 471 S N 4.505 120.219 115.700 0.024 0.000 2.473 471 S HA 0.596 5.066 4.470 -0.000 0.000 0.307 471 S C -1.224 173.373 174.600 -0.004 0.000 1.094 471 S CA -0.754 57.450 58.200 0.008 0.000 1.070 471 S CB 1.018 64.225 63.200 0.012 0.000 1.019 471 S HN 0.512 nan 8.310 nan 0.000 0.480 472 L N 5.573 126.784 121.223 -0.021 0.000 2.280 472 L HA 0.591 4.931 4.340 -0.000 0.000 0.287 472 L C -0.412 176.422 176.870 -0.059 0.000 1.023 472 L CA -0.302 54.522 54.840 -0.027 0.000 0.819 472 L CB 1.231 43.278 42.059 -0.020 0.000 1.212 472 L HN 0.657 nan 8.230 nan 0.000 0.420 473 N N 4.651 123.319 118.700 -0.053 0.000 2.406 473 N HA 0.209 4.948 4.740 -0.000 0.000 0.251 473 N C 0.782 176.252 175.510 -0.067 0.000 1.069 473 N CA 0.016 53.016 53.050 -0.083 0.000 0.947 473 N CB 0.960 39.420 38.487 -0.046 0.000 1.111 473 N HN 0.742 nan 8.380 nan 0.000 0.497 474 R N 2.110 122.557 120.500 -0.090 0.000 2.096 474 R HA -0.114 4.225 4.340 -0.000 0.000 0.229 474 R C 1.688 177.970 176.300 -0.031 0.000 1.134 474 R CA 1.494 57.563 56.100 -0.052 0.000 0.917 474 R CB -0.651 29.617 30.300 -0.052 0.000 0.832 474 R HN 0.360 nan 8.270 nan 0.000 0.430 475 V N 1.322 121.216 119.914 -0.033 0.000 2.220 475 V HA -0.301 3.819 4.120 -0.000 0.000 0.250 475 V C 2.408 178.499 176.094 -0.005 0.000 1.056 475 V CA 2.214 64.508 62.300 -0.010 0.000 1.016 475 V CB -0.903 30.914 31.823 -0.010 0.000 0.639 475 V HN 0.529 nan 8.190 nan 0.000 0.446 476 A N -0.271 122.544 122.820 -0.008 0.000 2.216 476 A HA 0.246 4.566 4.320 -0.000 0.000 0.214 476 A C 1.808 179.392 177.584 0.000 0.000 1.160 476 A CA 0.988 53.026 52.037 0.002 0.000 0.725 476 A CB -1.120 17.885 19.000 0.008 0.000 0.784 476 A HN 1.500 nan 8.150 nan 0.000 0.472 477 G N 0.261 109.057 108.800 -0.006 0.000 2.372 477 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.290 477 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.290 477 G C 0.184 175.084 174.900 -0.001 0.000 0.965 477 G CA 0.646 45.744 45.100 -0.003 0.000 1.263 477 G HN 1.072 nan 8.290 nan 0.000 0.498 478 T N -1.274 113.278 114.554 -0.003 0.000 2.864 478 T HA 0.870 5.220 4.350 -0.000 0.000 0.289 478 T C -0.272 174.428 174.700 0.000 0.000 1.082 478 T CA -0.205 61.897 62.100 0.002 0.000 1.009 478 T CB 2.454 71.328 68.868 0.009 0.000 1.234 478 T HN 0.921 nan 8.240 nan 0.000 0.526 479 T N 0.703 115.260 114.554 0.005 0.000 3.509 479 T HA 0.361 4.710 4.350 -0.000 0.000 0.330 479 T C -1.672 173.034 174.700 0.010 0.000 0.851 479 T CA -0.869 61.235 62.100 0.007 0.000 1.057 479 T CB 0.620 69.493 68.868 0.008 0.000 1.023 479 T HN 0.578 nan 8.240 nan 0.000 0.470 480 D N 3.260 123.667 120.400 0.013 0.000 2.193 480 D HA 0.546 5.186 4.640 -0.000 0.000 0.249 480 D C -0.056 176.257 176.300 0.021 0.000 1.034 480 D CA -0.608 53.399 54.000 0.012 0.000 0.902 480 D CB 2.143 42.951 40.800 0.013 0.000 1.182 480 D HN 0.681 nan 8.370 nan 0.000 0.436 481 K N 0.238 120.651 120.400 0.022 0.000 2.562 481 K HA 0.625 4.945 4.320 -0.000 0.000 0.267 481 K C -1.108 175.515 176.600 0.038 0.000 0.938 481 K CA -1.123 55.185 56.287 0.035 0.000 0.840 481 K CB 2.812 35.335 32.500 0.038 0.000 1.390 481 K HN 0.306 nan 8.250 nan 0.000 0.428 482 R N 1.654 122.187 120.500 0.054 0.000 2.548 482 R HA 0.214 4.554 4.340 -0.000 0.000 0.280 482 R C -1.693 174.657 176.300 0.083 0.000 1.061 482 R CA -0.516 55.620 56.100 0.060 0.000 0.915 482 R CB 1.610 31.943 30.300 0.055 0.000 1.210 482 R HN 0.761 nan 8.270 nan 0.000 0.442 483 D N 3.358 123.812 120.400 0.091 0.000 2.467 483 D HA 0.190 4.830 4.640 -0.000 0.000 0.220 483 D C -0.832 175.535 176.300 0.111 0.000 1.103 483 D CA -0.073 54.001 54.000 0.123 0.000 0.886 483 D CB 1.367 42.253 40.800 0.143 0.000 1.025 483 D HN 0.370 nan 8.370 nan 0.000 0.514 484 D N 1.389 121.847 120.400 0.098 0.000 2.304 484 D HA 0.238 4.878 4.640 -0.000 0.000 0.247 484 D C 0.069 176.340 176.300 -0.048 0.000 1.089 484 D CA 0.046 54.066 54.000 0.033 0.000 0.910 484 D CB 1.523 42.354 40.800 0.052 0.000 1.199 484 D HN 0.112 nan 8.370 nan 0.000 0.426 485 K N 2.329 122.613 120.400 -0.194 0.000 2.613 485 K HA 0.294 4.614 4.320 -0.000 0.000 0.248 485 K C -0.745 175.472 176.600 -0.638 0.000 0.959 485 K CA -0.662 55.342 56.287 -0.473 0.000 0.855 485 K CB 2.016 34.348 32.500 -0.279 0.000 1.143 485 K HN 0.198 nan 8.250 nan 0.000 0.437 486 Q N 1.561 120.769 119.800 -0.985 0.000 2.458 486 Q HA 0.606 4.946 4.340 -0.000 0.000 0.282 486 Q C -1.882 173.609 176.000 -0.848 0.000 1.106 486 Q CA -0.781 54.457 55.803 -0.943 0.000 0.814 486 Q CB 1.763 29.590 28.738 -1.519 0.000 1.425 486 Q HN 0.491 nan 8.270 nan 0.000 0.437 487 F N 0.342 119.981 119.950 -0.519 0.000 2.565 487 F HA 0.820 5.347 4.527 -0.000 0.000 0.313 487 F C -1.337 174.451 175.800 -0.019 0.000 1.091 487 F CA -0.226 57.668 58.000 -0.177 0.000 0.915 487 F CB 2.033 41.091 39.000 0.097 0.000 1.208 487 F HN 0.508 nan 8.300 nan 0.000 0.453 488 T N 3.875 117.816 114.554 -1.021 0.000 2.916 488 T HA 0.594 4.944 4.350 -0.000 0.000 0.305 488 T C -1.515 172.666 174.700 -0.864 0.000 1.119 488 T CA -0.732 60.952 62.100 -0.695 0.000 1.008 488 T CB 1.927 70.629 68.868 -0.276 0.000 1.129 488 T HN 0.808 nan 8.240 nan 0.000 0.480 489 W N 1.189 122.136 121.300 -0.588 0.000 3.118 489 W HA 0.809 5.469 4.660 -0.000 0.000 0.328 489 W C -1.805 174.630 176.519 -0.140 0.000 1.239 489 W CA -1.159 56.007 57.345 -0.299 0.000 1.176 489 W CB 1.622 31.039 29.460 -0.070 0.000 1.433 489 W HN 0.958 nan 8.180 nan 0.000 0.562 490 R N 1.327 121.752 120.500 -0.125 0.000 2.604 490 R HA 0.626 4.966 4.340 -0.000 0.000 0.281 490 R C -1.110 175.216 176.300 0.044 0.000 1.020 490 R CA -0.370 55.526 56.100 -0.341 0.000 0.899 490 R CB 1.903 32.026 30.300 -0.295 0.000 1.205 490 R HN 0.874 nan 8.270 nan 0.000 0.450 491 G N 0.769 109.590 108.800 0.035 0.000 2.542 491 G HA2 0.729 4.689 3.960 -0.000 0.000 0.311 491 G HA3 0.729 4.689 3.960 -0.000 0.000 0.311 491 G C -1.165 173.715 174.900 -0.034 0.000 1.298 491 G CA -0.626 44.594 45.100 0.201 0.000 0.973 491 G HN 0.782 nan 8.290 nan 0.000 0.487 492 G N -1.232 107.508 108.800 -0.100 0.000 2.601 492 G HA2 0.651 4.611 3.960 -0.000 0.000 0.291 492 G HA3 0.651 4.611 3.960 -0.000 0.000 0.291 492 G C -1.885 172.901 174.900 -0.191 0.000 1.456 492 G CA -0.401 44.495 45.100 -0.340 0.000 0.804 492 G HN 1.122 nan 8.290 nan 0.000 0.499 493 V N 0.278 120.052 119.914 -0.233 0.000 2.925 493 V HA 0.631 4.751 4.120 -0.000 0.000 0.311 493 V C -0.990 175.214 176.094 0.184 0.000 1.104 493 V CA -1.167 61.175 62.300 0.070 0.000 0.954 493 V CB 2.401 34.371 31.823 0.245 0.000 1.022 493 V HN 0.748 nan 8.190 nan 0.000 0.427 494 N N 1.482 120.301 118.700 0.199 0.000 2.352 494 N HA 0.446 5.186 4.740 -0.000 0.000 0.291 494 N C -1.558 174.137 175.510 0.308 0.000 1.040 494 N CA -0.571 52.632 53.050 0.255 0.000 0.864 494 N CB 1.676 40.261 38.487 0.162 0.000 1.440 494 N HN 0.689 nan 8.380 nan 0.000 0.483 495 Y N 2.797 123.211 120.300 0.189 0.000 2.594 495 Y HA 0.389 4.939 4.550 -0.000 0.000 0.342 495 Y C -0.653 175.404 175.900 0.262 0.000 1.010 495 Y CA -1.339 56.899 58.100 0.231 0.000 1.270 495 Y CB 0.034 38.635 38.460 0.235 0.000 1.125 495 Y HN 0.471 nan 8.280 nan 0.000 0.513 496 L N 6.615 128.184 121.223 0.577 0.000 2.565 496 L HA 0.047 4.386 4.340 -0.000 0.000 0.275 496 L C -0.570 176.565 176.870 0.442 0.000 1.137 496 L CA 0.384 55.450 54.840 0.376 0.000 0.915 496 L CB -0.338 41.867 42.059 0.244 0.000 1.232 496 L HN 0.337 nan 8.230 nan 0.000 0.473 497 F N 1.470 121.412 119.950 -0.012 0.000 2.422 497 F HA 0.211 4.738 4.527 -0.000 0.000 0.333 497 F C 1.204 176.995 175.800 -0.013 0.000 1.095 497 F CA -1.175 56.771 58.000 -0.090 0.000 1.038 497 F CB 1.405 40.318 39.000 -0.145 0.000 1.156 497 F HN 0.432 nan 8.300 nan 0.000 0.483 498 D N -0.017 120.445 120.400 0.103 0.000 2.348 498 D HA -0.132 4.508 4.640 -0.000 0.000 0.216 498 D C 1.428 177.788 176.300 0.100 0.000 0.970 498 D CA 0.673 54.715 54.000 0.071 0.000 0.889 498 D CB -0.128 40.678 40.800 0.011 0.000 0.912 498 D HN 0.381 nan 8.370 nan 0.000 0.524 499 N N 0.106 118.895 118.700 0.148 0.000 2.501 499 N HA -0.006 4.734 4.740 -0.000 0.000 0.195 499 N C 1.416 177.078 175.510 0.253 0.000 1.213 499 N CA 0.907 54.055 53.050 0.164 0.000 0.864 499 N CB 0.389 38.967 38.487 0.151 0.000 0.999 499 N HN 0.257 nan 8.380 nan 0.000 0.454 500 G N 0.042 108.982 108.800 0.234 0.000 2.399 500 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.216 500 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.216 500 G C 0.101 175.183 174.900 0.303 0.000 1.096 500 G CA 0.164 45.415 45.100 0.251 0.000 0.650 500 G HN 0.783 nan 8.290 nan 0.000 0.512 501 V N 0.998 121.110 119.914 0.330 0.000 2.763 501 V HA 0.614 4.734 4.120 -0.000 0.000 0.306 501 V C 0.207 176.306 176.094 0.009 0.000 1.059 501 V CA 0.997 63.387 62.300 0.150 0.000 1.138 501 V CB 1.101 32.888 31.823 -0.059 0.000 0.940 501 V HN 1.131 nan 8.190 nan 0.000 0.489 502 T N 3.874 118.430 114.554 0.004 0.000 3.103 502 T HA 0.465 4.815 4.350 -0.000 0.000 0.352 502 T C -2.816 171.930 174.700 0.077 0.000 1.048 502 T CA -1.018 61.100 62.100 0.030 0.000 1.175 502 T CB 1.040 69.967 68.868 0.098 0.000 1.029 502 T HN 0.658 nan 8.240 nan 0.000 0.498 503 P HA 0.423 nan 4.420 nan 0.000 0.272 503 P C -1.029 176.428 177.300 0.263 0.000 1.223 503 P CA -0.252 62.874 63.100 0.044 0.000 0.784 503 P CB 0.228 31.891 31.700 -0.061 0.000 0.923 504 Y N 0.823 121.206 120.300 0.137 0.000 2.662 504 Y HA 0.745 5.295 4.550 -0.000 0.000 0.334 504 Y C -1.924 174.142 175.900 0.276 0.000 1.185 504 Y CA -1.628 56.582 58.100 0.183 0.000 1.074 504 Y CB 0.841 39.353 38.460 0.087 0.000 1.330 504 Y HN 0.450 nan 8.280 nan 0.000 0.458 505 F N 0.693 120.723 119.950 0.134 0.000 2.713 505 F HA 0.886 5.413 4.527 -0.000 0.000 0.311 505 F C -1.554 174.372 175.800 0.211 0.000 1.141 505 F CA -0.255 57.782 58.000 0.062 0.000 0.939 505 F CB 1.715 40.737 39.000 0.037 0.000 1.325 505 F HN 1.233 nan 8.300 nan 0.000 0.453 506 S N 1.447 116.984 115.700 -0.271 0.000 2.578 506 S HA 0.555 5.024 4.470 -0.000 0.000 0.272 506 S C -2.485 172.136 174.600 0.034 0.000 1.145 506 S CA -0.760 57.229 58.200 -0.351 0.000 0.835 506 S CB 1.415 64.498 63.200 -0.195 0.000 1.104 506 S HN 1.509 nan 8.310 nan 0.000 0.458 507 Y N 1.380 121.595 120.300 -0.141 0.000 2.341 507 Y HA 0.772 5.321 4.550 -0.000 0.000 0.338 507 Y C -0.336 175.319 175.900 -0.409 0.000 0.965 507 Y CA -0.173 57.827 58.100 -0.166 0.000 1.108 507 Y CB 1.936 40.357 38.460 -0.064 0.000 1.180 507 Y HN 1.048 nan 8.280 nan 0.000 0.458 508 S N 4.338 119.327 115.700 -1.185 0.000 2.595 508 S HA 0.692 5.162 4.470 -0.000 0.000 0.281 508 S C -1.597 172.327 174.600 -1.127 0.000 1.117 508 S CA -0.667 56.922 58.200 -1.019 0.000 0.873 508 S CB 1.327 64.180 63.200 -0.578 0.000 1.108 508 S HN 0.784 nan 8.310 nan 0.000 0.477 509 E N 0.723 120.427 120.200 -0.826 0.000 2.369 509 E HA 0.662 5.012 4.350 -0.000 0.000 0.270 509 E C -1.225 175.147 176.600 -0.379 0.000 0.909 509 E CA -0.964 55.083 56.400 -0.587 0.000 0.775 509 E CB 2.077 31.468 29.700 -0.515 0.000 1.270 509 E HN 0.630 nan 8.360 nan 0.000 0.445 510 S N 0.550 116.088 115.700 -0.270 0.000 2.685 510 S HA 0.845 5.315 4.470 -0.000 0.000 0.282 510 S C -1.338 173.236 174.600 -0.044 0.000 1.159 510 S CA -0.902 57.180 58.200 -0.196 0.000 0.833 510 S CB 1.358 64.386 63.200 -0.285 0.000 1.151 510 S HN 0.615 nan 8.310 nan 0.000 0.485 511 F N -0.868 118.971 119.950 -0.185 0.000 2.654 511 F HA 0.799 5.326 4.527 -0.000 0.000 0.314 511 F C -1.354 174.378 175.800 -0.114 0.000 1.116 511 F CA -0.582 57.332 58.000 -0.142 0.000 1.017 511 F CB 1.275 40.199 39.000 -0.127 0.000 1.285 511 F HN 0.887 nan 8.300 nan 0.000 0.448 512 E N 6.227 126.373 120.200 -0.091 0.000 2.302 512 E HA 0.433 4.782 4.350 -0.000 0.000 0.263 512 E C -3.021 173.594 176.600 0.025 0.000 0.897 512 E CA -2.396 53.913 56.400 -0.152 0.000 0.809 512 E CB 2.542 32.137 29.700 -0.174 0.000 1.270 512 E HN 0.449 nan 8.360 nan 0.000 0.410 513 P HA -0.030 nan 4.420 nan 0.000 0.270 513 P C -0.485 176.869 177.300 0.090 0.000 1.223 513 P CA -0.241 62.931 63.100 0.121 0.000 0.785 513 P CB 1.328 33.113 31.700 0.142 0.000 0.923 514 S N -0.210 115.568 115.700 0.129 0.000 2.549 514 S HA 0.341 4.811 4.470 -0.000 0.000 0.297 514 S C 0.967 175.663 174.600 0.161 0.000 1.115 514 S CA -0.361 57.933 58.200 0.156 0.000 1.059 514 S CB 0.354 63.703 63.200 0.249 0.000 1.046 514 S HN 0.464 nan 8.310 nan 0.000 0.506 515 S N 2.740 118.534 115.700 0.156 0.000 2.554 515 S HA 0.294 4.764 4.470 -0.000 0.000 0.226 515 S C 0.063 174.766 174.600 0.172 0.000 0.980 515 S CA -0.521 57.761 58.200 0.136 0.000 0.939 515 S CB 0.051 63.319 63.200 0.112 0.000 0.832 515 S HN 0.643 nan 8.310 nan 0.000 0.486 516 Q N 1.334 121.297 119.800 0.271 0.000 2.260 516 Q HA 0.515 4.854 4.340 -0.000 0.000 0.242 516 Q C -0.669 175.459 176.000 0.213 0.000 0.932 516 Q CA -0.425 55.599 55.803 0.368 0.000 0.891 516 Q CB 1.854 30.935 28.738 0.571 0.000 1.222 516 Q HN 0.218 nan 8.270 nan 0.000 0.453 517 V N 1.112 121.090 119.914 0.107 0.000 2.483 517 V HA 0.704 4.824 4.120 -0.000 0.000 0.295 517 V C 0.261 176.100 176.094 -0.425 0.000 1.035 517 V CA -0.232 61.945 62.300 -0.205 0.000 0.896 517 V CB 1.555 33.387 31.823 0.016 0.000 0.986 517 V HN 0.849 nan 8.190 nan 0.000 0.447 518 G N 3.874 112.045 108.800 -1.049 0.000 2.588 518 G HA2 0.180 4.140 3.960 -0.000 0.000 0.278 518 G HA3 0.180 4.140 3.960 -0.000 0.000 0.278 518 G C 0.498 174.749 174.900 -1.081 0.000 1.307 518 G CA 0.014 44.571 45.100 -0.906 0.000 1.016 518 G HN 0.860 nan 8.290 nan 0.000 0.503 519 K N -0.449 119.290 120.400 -1.102 0.000 2.217 519 K HA -0.072 4.248 4.320 -0.000 0.000 0.202 519 K C 1.279 177.444 176.600 -0.726 0.000 1.051 519 K CA 1.299 56.698 56.287 -1.481 0.000 0.952 519 K CB 0.051 32.190 32.500 -0.601 0.000 0.736 519 K HN 0.600 nan 8.250 nan 0.000 0.453 520 D N -0.185 119.935 120.400 -0.467 0.000 2.504 520 D HA 0.004 4.644 4.640 -0.000 0.000 0.243 520 D C 0.569 176.718 176.300 -0.252 0.000 1.203 520 D CA 0.522 54.358 54.000 -0.273 0.000 0.847 520 D CB -0.483 40.204 40.800 -0.189 0.000 0.973 520 D HN 0.295 nan 8.370 nan 0.000 0.490 521 G N 0.829 109.447 108.800 -0.304 0.000 2.402 521 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.300 521 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.300 521 G C -0.267 174.535 174.900 -0.163 0.000 0.987 521 G CA 0.299 45.294 45.100 -0.176 0.000 0.881 521 G HN 0.578 nan 8.290 nan 0.000 0.512 522 N N -0.910 117.639 118.700 -0.252 0.000 2.240 522 N HA 0.498 5.238 4.740 -0.000 0.000 0.302 522 N C 0.007 175.327 175.510 -0.316 0.000 1.106 522 N CA -1.321 51.599 53.050 -0.217 0.000 0.778 522 N CB 1.215 39.599 38.487 -0.173 0.000 1.431 522 N HN -0.094 nan 8.380 nan 0.000 0.479 523 I N 2.625 123.089 120.570 -0.177 0.000 2.598 523 I HA 0.036 4.205 4.170 -0.000 0.000 0.284 523 I C 0.274 176.323 176.117 -0.113 0.000 1.140 523 I CA 0.310 61.532 61.300 -0.130 0.000 1.420 523 I CB -0.866 37.131 38.000 -0.004 0.000 1.387 523 I HN 0.397 nan 8.210 nan 0.000 0.553 524 F N 4.199 124.173 119.950 0.040 0.000 2.595 524 F HA 0.210 4.737 4.527 -0.000 0.000 0.359 524 F C 1.210 177.033 175.800 0.038 0.000 1.147 524 F CA -0.097 57.924 58.000 0.035 0.000 1.341 524 F CB 0.195 39.221 39.000 0.045 0.000 1.104 524 F HN 0.566 nan 8.300 nan 0.000 0.603 525 A N 4.489 127.452 122.820 0.238 0.000 2.386 525 A HA 0.386 4.705 4.320 -0.000 0.000 0.248 525 A C -2.091 175.581 177.584 0.146 0.000 1.082 525 A CA -1.413 50.711 52.037 0.145 0.000 0.789 525 A CB -0.611 18.452 19.000 0.105 0.000 1.025 525 A HN 0.513 nan 8.150 nan 0.000 0.490 526 P HA 0.072 nan 4.420 nan 0.000 0.269 526 P C -0.084 177.264 177.300 0.081 0.000 1.217 526 P CA 0.152 63.323 63.100 0.118 0.000 0.783 526 P CB 0.522 32.325 31.700 0.172 0.000 0.898 527 S N 0.630 116.361 115.700 0.051 0.000 2.654 527 S HA 0.548 5.018 4.470 -0.000 0.000 0.283 527 S C -0.145 174.454 174.600 -0.002 0.000 1.180 527 S CA -0.686 57.518 58.200 0.006 0.000 1.021 527 S CB 1.642 64.824 63.200 -0.030 0.000 1.018 527 S HN 0.371 nan 8.310 nan 0.000 0.532 528 K N -0.452 119.927 120.400 -0.036 0.000 2.346 528 K HA 0.736 5.055 4.320 -0.000 0.000 0.238 528 K C -0.493 176.015 176.600 -0.154 0.000 1.039 528 K CA -1.062 55.192 56.287 -0.055 0.000 0.861 528 K CB 2.063 34.551 32.500 -0.020 0.000 1.278 528 K HN 0.866 nan 8.250 nan 0.000 0.460 529 G N 1.284 109.972 108.800 -0.186 0.000 2.687 529 G HA2 0.458 4.418 3.960 -0.000 0.000 0.301 529 G HA3 0.458 4.418 3.960 -0.000 0.000 0.301 529 G C -1.338 173.383 174.900 -0.298 0.000 1.416 529 G CA -0.498 44.431 45.100 -0.286 0.000 1.005 529 G HN 0.168 nan 8.290 nan 0.000 0.509 530 K N 1.660 121.878 120.400 -0.303 0.000 2.471 530 K HA 0.446 4.766 4.320 -0.000 0.000 0.252 530 K C -0.918 175.432 176.600 -0.418 0.000 0.938 530 K CA -0.698 55.360 56.287 -0.380 0.000 0.796 530 K CB 2.772 35.153 32.500 -0.199 0.000 1.161 530 K HN 0.722 nan 8.250 nan 0.000 0.425 531 Q N 2.740 122.187 119.800 -0.587 0.000 2.323 531 Q HA 0.391 4.731 4.340 -0.000 0.000 0.271 531 Q C -1.500 174.261 176.000 -0.398 0.000 1.048 531 Q CA -0.714 54.844 55.803 -0.407 0.000 0.792 531 Q CB 1.403 29.942 28.738 -0.331 0.000 1.280 531 Q HN 0.456 nan 8.270 nan 0.000 0.441 532 Y N 1.665 122.020 120.300 0.093 0.000 2.331 532 Y HA 0.462 5.012 4.550 -0.000 0.000 0.338 532 Y C -0.195 175.810 175.900 0.176 0.000 0.992 532 Y CA -0.575 57.641 58.100 0.193 0.000 1.121 532 Y CB 1.777 40.366 38.460 0.215 0.000 1.184 532 Y HN 0.610 nan 8.280 nan 0.000 0.469 533 E N 2.541 122.940 120.200 0.331 0.000 2.343 533 E HA 0.696 5.046 4.350 -0.000 0.000 0.278 533 E C -1.888 174.845 176.600 0.221 0.000 0.910 533 E CA -0.871 55.685 56.400 0.260 0.000 0.757 533 E CB 2.402 32.231 29.700 0.216 0.000 1.218 533 E HN 0.475 nan 8.360 nan 0.000 0.435 534 V N -0.069 119.901 119.914 0.094 0.000 3.007 534 V HA 1.048 5.168 4.120 -0.000 0.000 0.311 534 V C -0.367 175.527 176.094 -0.334 0.000 1.120 534 V CA 0.238 62.489 62.300 -0.081 0.000 0.980 534 V CB 1.508 33.341 31.823 0.017 0.000 1.033 534 V HN 0.829 nan 8.190 nan 0.000 0.429 535 G N 0.878 109.207 108.800 -0.785 0.000 2.488 535 G HA2 0.728 4.687 3.960 -0.000 0.000 0.301 535 G HA3 0.728 4.687 3.960 -0.000 0.000 0.301 535 G C -1.217 173.387 174.900 -0.495 0.000 1.339 535 G CA 0.040 44.769 45.100 -0.618 0.000 0.803 535 G HN 2.117 nan 8.290 nan 0.000 0.482 536 V N -2.443 117.454 119.914 -0.027 0.000 2.735 536 V HA 0.921 5.041 4.120 -0.000 0.000 0.310 536 V C -1.208 175.045 176.094 0.266 0.000 1.061 536 V CA -1.243 61.132 62.300 0.125 0.000 0.913 536 V CB 2.054 33.889 31.823 0.021 0.000 1.005 536 V HN 0.627 nan 8.190 nan 0.000 0.428 537 K N 4.091 124.639 120.400 0.247 0.000 2.502 537 K HA 0.387 4.707 4.320 -0.000 0.000 0.254 537 K C -1.727 174.979 176.600 0.177 0.000 0.947 537 K CA -0.366 56.029 56.287 0.180 0.000 0.834 537 K CB 2.166 34.722 32.500 0.094 0.000 1.112 537 K HN 0.918 nan 8.250 nan 0.000 0.427 538 Y N 2.618 122.935 120.300 0.029 0.000 2.404 538 Y HA 0.274 4.823 4.550 -0.000 0.000 0.344 538 Y C -0.518 175.389 175.900 0.011 0.000 0.970 538 Y CA -0.950 57.159 58.100 0.014 0.000 1.180 538 Y CB 0.787 39.254 38.460 0.011 0.000 1.138 538 Y HN 0.229 nan 8.280 nan 0.000 0.510 539 V N 9.533 129.272 119.914 -0.292 0.000 2.384 539 V HA 0.243 4.363 4.120 -0.000 0.000 0.257 539 V C -2.320 173.547 176.094 -0.380 0.000 0.969 539 V CA -1.491 60.607 62.300 -0.336 0.000 0.910 539 V CB 0.688 32.427 31.823 -0.140 0.000 1.150 539 V HN 0.691 nan 8.190 nan 0.000 0.481 540 P HA 0.100 nan 4.420 nan 0.000 0.268 540 P C 0.449 177.634 177.300 -0.192 0.000 1.204 540 P CA 0.245 63.126 63.100 -0.366 0.000 0.768 540 P CB 1.919 33.361 31.700 -0.430 0.000 0.842 541 E N 2.641 122.785 120.200 -0.094 0.000 2.285 541 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 541 E C 1.177 177.748 176.600 -0.049 0.000 0.997 541 E CA 1.350 57.713 56.400 -0.062 0.000 0.845 541 E CB -0.248 29.433 29.700 -0.033 0.000 0.782 541 E HN 0.457 nan 8.360 nan 0.000 0.491 542 D N -0.037 120.339 120.400 -0.040 0.000 2.092 542 D HA -0.121 4.519 4.640 -0.000 0.000 0.203 542 D C 0.560 176.839 176.300 -0.036 0.000 0.978 542 D CA 0.439 54.423 54.000 -0.026 0.000 0.861 542 D CB -0.502 40.293 40.800 -0.008 0.000 1.005 542 D HN 0.005 nan 8.370 nan 0.000 0.450 543 R N 1.281 121.757 120.500 -0.039 0.000 2.679 543 R HA 0.229 4.569 4.340 -0.000 0.000 0.269 543 R C -1.874 174.388 176.300 -0.063 0.000 1.076 543 R CA -1.083 54.993 56.100 -0.040 0.000 1.160 543 R CB 0.465 30.753 30.300 -0.019 0.000 1.054 543 R HN 0.243 nan 8.270 nan 0.000 0.507 544 P HA 0.140 nan 4.420 nan 0.000 0.209 544 P C -1.007 176.266 177.300 -0.045 0.000 1.843 544 P CA 0.121 63.191 63.100 -0.049 0.000 0.985 544 P CB -0.374 31.307 31.700 -0.032 0.000 1.904 545 I N -1.590 118.938 120.570 -0.070 0.000 2.619 545 I HA 0.677 4.846 4.170 -0.000 0.000 0.292 545 I C -1.494 174.565 176.117 -0.097 0.000 1.100 545 I CA -1.371 59.900 61.300 -0.049 0.000 1.043 545 I CB 2.746 40.745 38.000 -0.002 0.000 1.239 545 I HN -0.311 nan 8.210 nan 0.000 0.420 546 V N 5.824 125.713 119.914 -0.041 0.000 2.656 546 V HA 0.643 4.763 4.120 -0.000 0.000 0.307 546 V C -0.393 175.729 176.094 0.046 0.000 1.051 546 V CA -0.681 61.595 62.300 -0.039 0.000 0.893 546 V CB 1.999 33.800 31.823 -0.037 0.000 0.999 546 V HN 0.628 nan 8.190 nan 0.000 0.426 547 V N 2.961 122.933 119.914 0.097 0.000 2.623 547 V HA 0.685 4.805 4.120 -0.000 0.000 0.304 547 V C -0.315 175.863 176.094 0.141 0.000 1.054 547 V CA -0.212 62.174 62.300 0.145 0.000 0.882 547 V CB 2.323 34.273 31.823 0.213 0.000 1.002 547 V HN 0.977 nan 8.190 nan 0.000 0.424 548 T N 3.164 117.790 114.554 0.120 0.000 2.893 548 T HA 0.831 5.181 4.350 -0.000 0.000 0.293 548 T C -0.286 174.497 174.700 0.139 0.000 1.027 548 T CA 0.062 62.244 62.100 0.137 0.000 0.988 548 T CB 1.636 70.572 68.868 0.114 0.000 1.043 548 T HN 1.053 nan 8.240 nan 0.000 0.461 549 G N 1.286 110.179 108.800 0.154 0.000 2.563 549 G HA2 0.860 4.819 3.960 -0.000 0.000 0.302 549 G HA3 0.860 4.819 3.960 -0.000 0.000 0.302 549 G C -1.311 173.672 174.900 0.138 0.000 1.301 549 G CA -0.353 44.823 45.100 0.127 0.000 0.965 549 G HN 1.137 nan 8.290 nan 0.000 0.480 550 A N -0.433 122.460 122.820 0.122 0.000 2.594 550 A HA 0.785 5.105 4.320 -0.000 0.000 0.296 550 A C -1.711 175.930 177.584 0.095 0.000 1.056 550 A CA -0.334 51.770 52.037 0.112 0.000 0.693 550 A CB 1.663 20.802 19.000 0.231 0.000 1.278 550 A HN 2.129 nan 8.150 nan 0.000 0.408 551 V N 2.569 122.519 119.914 0.061 0.000 2.760 551 V HA 0.901 5.021 4.120 -0.000 0.000 0.309 551 V C -1.607 174.524 176.094 0.063 0.000 1.077 551 V CA -0.516 61.776 62.300 -0.013 0.000 0.910 551 V CB 1.869 33.680 31.823 -0.020 0.000 1.008 551 V HN 1.734 nan 8.190 nan 0.000 0.424 552 Y N 3.562 123.908 120.300 0.078 0.000 2.638 552 Y HA 0.663 5.212 4.550 -0.000 0.000 0.339 552 Y C -0.846 175.108 175.900 0.091 0.000 1.084 552 Y CA -1.524 56.627 58.100 0.085 0.000 1.068 552 Y CB 1.647 40.140 38.460 0.054 0.000 1.294 552 Y HN 0.587 nan 8.280 nan 0.000 0.480 553 N N 2.143 121.096 118.700 0.421 0.000 2.577 553 N HA 0.291 5.031 4.740 -0.000 0.000 0.275 553 N C -2.383 173.294 175.510 0.280 0.000 1.091 553 N CA -0.234 53.016 53.050 0.333 0.000 0.843 553 N CB 1.465 40.123 38.487 0.285 0.000 1.295 553 N HN 0.793 nan 8.380 nan 0.000 0.530 554 L N 3.217 124.601 121.223 0.270 0.000 2.295 554 L HA 0.626 4.966 4.340 -0.000 0.000 0.285 554 L C -0.632 176.270 176.870 0.053 0.000 1.035 554 L CA -0.024 54.847 54.840 0.051 0.000 0.806 554 L CB 1.407 43.429 42.059 -0.062 0.000 1.214 554 L HN 0.444 nan 8.230 nan 0.000 0.426 555 T N 2.841 117.351 114.554 -0.073 0.000 2.881 555 T HA 0.405 4.754 4.350 -0.000 0.000 0.290 555 T C -0.671 173.916 174.700 -0.188 0.000 1.000 555 T CA -0.795 61.270 62.100 -0.059 0.000 0.978 555 T CB 1.488 70.358 68.868 0.003 0.000 0.997 555 T HN 0.587 nan 8.240 nan 0.000 0.443 556 K N 2.749 123.040 120.400 -0.183 0.000 2.293 556 K HA 0.521 4.841 4.320 -0.000 0.000 0.267 556 K C -0.436 176.117 176.600 -0.079 0.000 1.010 556 K CA -0.437 55.704 56.287 -0.244 0.000 0.875 556 K CB 0.613 32.901 32.500 -0.354 0.000 1.106 556 K HN 0.777 nan 8.250 nan 0.000 0.450 557 T N 1.883 116.394 114.554 -0.071 0.000 2.943 557 T HA 0.176 4.526 4.350 -0.000 0.000 0.284 557 T C 0.170 174.864 174.700 -0.010 0.000 1.015 557 T CA -0.757 61.333 62.100 -0.017 0.000 1.042 557 T CB 0.950 69.816 68.868 -0.004 0.000 1.055 557 T HN 0.808 nan 8.240 nan 0.000 0.500 558 N N 0.695 119.400 118.700 0.008 0.000 2.727 558 N HA -0.211 4.529 4.740 -0.000 0.000 0.249 558 N C -0.588 174.914 175.510 -0.014 0.000 1.048 558 N CA 0.365 53.418 53.050 0.005 0.000 0.714 558 N CB -1.351 37.146 38.487 0.017 0.000 0.959 558 N HN 0.750 nan 8.380 nan 0.000 0.544 559 N N 0.033 118.732 118.700 -0.002 0.000 2.503 559 N HA 0.324 5.064 4.740 -0.000 0.000 0.267 559 N C -0.214 175.265 175.510 -0.052 0.000 1.214 559 N CA -0.210 52.839 53.050 -0.003 0.000 0.959 559 N CB 0.529 39.057 38.487 0.069 0.000 1.142 559 N HN 0.316 nan 8.380 nan 0.000 0.455 560 L N 2.612 123.772 121.223 -0.104 0.000 2.380 560 L HA 0.322 4.661 4.340 -0.000 0.000 0.273 560 L C 0.415 177.228 176.870 -0.094 0.000 1.138 560 L CA -0.218 54.502 54.840 -0.199 0.000 0.832 560 L CB 0.379 42.244 42.059 -0.324 0.000 1.124 560 L HN 0.573 nan 8.230 nan 0.000 0.454 561 M N 2.199 121.739 119.600 -0.099 0.000 2.593 561 M HA 0.734 5.214 4.480 -0.000 0.000 0.290 561 M C -0.553 175.712 176.300 -0.058 0.000 1.244 561 M CA -0.890 54.370 55.300 -0.067 0.000 0.857 561 M CB 1.930 34.488 32.600 -0.070 0.000 1.738 561 M HN 0.463 nan 8.290 nan 0.000 0.461 562 A N 1.609 124.386 122.820 -0.071 0.000 2.587 562 A HA 0.064 4.384 4.320 -0.000 0.000 0.233 562 A C -0.195 177.377 177.584 -0.020 0.000 1.049 562 A CA 0.351 52.357 52.037 -0.051 0.000 0.754 562 A CB -0.280 18.652 19.000 -0.113 0.000 0.977 562 A HN 0.863 nan 8.150 nan 0.000 0.509 563 D N 2.417 122.838 120.400 0.035 0.000 2.450 563 D HA 0.183 4.823 4.640 -0.000 0.000 0.247 563 D C -1.472 174.844 176.300 0.026 0.000 1.162 563 D CA -1.468 52.569 54.000 0.061 0.000 0.879 563 D CB 0.861 41.737 40.800 0.126 0.000 1.163 563 D HN 0.166 nan 8.370 nan 0.000 0.472 564 P HA -0.123 nan 4.420 nan 0.000 0.219 564 P C 0.430 177.738 177.300 0.014 0.000 1.146 564 P CA 1.033 64.134 63.100 0.001 0.000 0.808 564 P CB 0.244 31.947 31.700 0.004 0.000 0.779 565 E N -1.415 118.807 120.200 0.037 0.000 2.479 565 E HA 0.191 4.541 4.350 -0.000 0.000 0.193 565 E C 0.931 177.567 176.600 0.060 0.000 1.049 565 E CA 0.389 56.816 56.400 0.045 0.000 0.870 565 E CB -0.401 29.332 29.700 0.055 0.000 0.944 565 E HN 0.107 nan 8.360 nan 0.000 0.492 566 G N 2.581 111.419 108.800 0.063 0.000 2.686 566 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.211 566 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.211 566 G C 0.158 175.142 174.900 0.140 0.000 0.829 566 G CA 0.500 45.646 45.100 0.076 0.000 0.993 566 G HN 0.405 nan 8.290 nan 0.000 0.330 567 S N 1.850 117.669 115.700 0.198 0.000 2.607 567 S HA 0.455 4.925 4.470 -0.000 0.000 0.196 567 S C 0.770 175.615 174.600 0.408 0.000 0.911 567 S CA 0.521 58.900 58.200 0.298 0.000 1.133 567 S CB -0.173 63.183 63.200 0.260 0.000 1.612 567 S HN 1.697 nan 8.310 nan 0.000 0.437 568 F N -0.665 119.289 119.950 0.006 0.000 2.699 568 F HA -0.266 4.261 4.527 -0.000 0.000 0.530 568 F C 0.262 175.998 175.800 -0.107 0.000 0.522 568 F CA 1.460 59.403 58.000 -0.095 0.000 0.781 568 F CB -1.466 37.400 39.000 -0.223 0.000 1.596 568 F HN 0.553 nan 8.300 nan 0.000 0.259 569 F N 1.047 121.147 119.950 0.249 0.000 2.385 569 F HA 0.478 5.005 4.527 -0.000 0.000 0.336 569 F C 0.845 176.755 175.800 0.183 0.000 1.100 569 F CA -0.666 57.464 58.000 0.216 0.000 1.116 569 F CB 1.071 40.185 39.000 0.191 0.000 1.166 569 F HN -0.116 nan 8.300 nan 0.000 0.511 570 S N 1.537 117.497 115.700 0.434 0.000 2.616 570 S HA 0.755 5.225 4.470 -0.000 0.000 0.277 570 S C -0.744 173.961 174.600 0.176 0.000 1.234 570 S CA -0.876 57.440 58.200 0.194 0.000 1.028 570 S CB 1.690 64.914 63.200 0.039 0.000 0.988 570 S HN 0.323 nan 8.310 nan 0.000 0.522 571 V N 2.909 122.853 119.914 0.049 0.000 2.417 571 V HA 0.332 4.451 4.120 -0.000 0.000 0.291 571 V C 0.544 176.594 176.094 -0.074 0.000 1.024 571 V CA -0.817 61.514 62.300 0.053 0.000 0.861 571 V CB 1.071 32.934 31.823 0.066 0.000 0.985 571 V HN 1.069 nan 8.190 nan 0.000 0.436 572 E N 3.641 123.783 120.200 -0.097 0.000 2.410 572 E HA 0.534 4.884 4.350 -0.000 0.000 0.255 572 E C 0.905 177.491 176.600 -0.023 0.000 1.194 572 E CA 0.255 56.585 56.400 -0.117 0.000 0.955 572 E CB 0.787 30.448 29.700 -0.066 0.000 0.988 572 E HN 0.887 nan 8.360 nan 0.000 0.461 573 G N 0.596 109.386 108.800 -0.016 0.000 2.617 573 G HA2 -0.170 3.789 3.960 -0.000 0.000 0.197 573 G HA3 -0.170 3.789 3.960 -0.000 0.000 0.197 573 G C 0.587 175.494 174.900 0.012 0.000 1.017 573 G CA -0.230 44.875 45.100 0.008 0.000 0.713 573 G HN 0.899 nan 8.290 nan 0.000 0.481 574 G N 0.237 109.041 108.800 0.005 0.000 2.647 574 G HA2 0.408 4.368 3.960 -0.000 0.000 0.234 574 G HA3 0.408 4.368 3.960 -0.000 0.000 0.234 574 G C -0.165 174.772 174.900 0.062 0.000 1.252 574 G CA 1.052 46.173 45.100 0.035 0.000 0.846 574 G HN 0.716 nan 8.290 nan 0.000 0.589 575 E N -0.645 119.615 120.200 0.099 0.000 2.383 575 E HA 0.599 4.949 4.350 -0.000 0.000 0.275 575 E C -1.185 175.507 176.600 0.153 0.000 0.918 575 E CA -0.790 55.670 56.400 0.100 0.000 0.764 575 E CB 1.898 31.641 29.700 0.073 0.000 1.252 575 E HN 0.376 nan 8.360 nan 0.000 0.449 576 I N 2.414 123.066 120.570 0.136 0.000 2.722 576 I HA 0.436 4.605 4.170 -0.000 0.000 0.295 576 I C -0.605 175.602 176.117 0.150 0.000 1.161 576 I CA -0.840 60.541 61.300 0.134 0.000 1.032 576 I CB 2.258 40.347 38.000 0.148 0.000 1.244 576 I HN 0.403 nan 8.210 nan 0.000 0.421 577 R N 4.393 124.951 120.500 0.097 0.000 2.637 577 R HA 0.861 5.201 4.340 -0.000 0.000 0.291 577 R C -1.440 174.916 176.300 0.094 0.000 0.963 577 R CA -0.519 55.648 56.100 0.113 0.000 0.901 577 R CB 2.042 32.387 30.300 0.075 0.000 1.160 577 R HN 0.748 nan 8.270 nan 0.000 0.457 578 A N 5.567 128.495 122.820 0.181 0.000 2.545 578 A HA 0.370 4.690 4.320 -0.000 0.000 0.300 578 A C -0.810 176.937 177.584 0.272 0.000 1.252 578 A CA -0.935 51.201 52.037 0.165 0.000 0.753 578 A CB 0.477 19.645 19.000 0.280 0.000 1.144 578 A HN 0.867 nan 8.150 nan 0.000 0.457 579 R N 1.737 122.290 120.500 0.088 0.000 2.514 579 R HA 0.876 5.215 4.340 -0.000 0.000 0.301 579 R C 0.120 176.241 176.300 -0.299 0.000 0.962 579 R CA -0.261 55.828 56.100 -0.017 0.000 0.882 579 R CB 1.848 32.146 30.300 -0.003 0.000 1.143 579 R HN 0.886 nan 8.270 nan 0.000 0.452 580 G N 0.637 108.988 108.800 -0.749 0.000 2.488 580 G HA2 0.443 4.403 3.960 -0.000 0.000 0.301 580 G HA3 0.443 4.403 3.960 -0.000 0.000 0.301 580 G C -1.754 172.753 174.900 -0.655 0.000 1.339 580 G CA -0.671 44.040 45.100 -0.648 0.000 0.803 580 G HN 0.426 nan 8.290 nan 0.000 0.482 581 V N -0.008 119.804 119.914 -0.170 0.000 2.789 581 V HA 0.740 4.860 4.120 -0.000 0.000 0.311 581 V C -0.766 175.369 176.094 0.069 0.000 1.073 581 V CA -0.854 61.436 62.300 -0.017 0.000 0.921 581 V CB 1.749 33.649 31.823 0.128 0.000 1.009 581 V HN 0.853 nan 8.190 nan 0.000 0.426 582 E N 4.474 124.739 120.200 0.109 0.000 2.292 582 E HA 0.767 5.117 4.350 -0.000 0.000 0.272 582 E C -1.211 175.479 176.600 0.149 0.000 0.881 582 E CA -0.731 55.745 56.400 0.126 0.000 0.754 582 E CB 3.178 32.964 29.700 0.145 0.000 1.201 582 E HN 0.771 nan 8.360 nan 0.000 0.425 583 I N -1.130 119.537 120.570 0.162 0.000 2.722 583 I HA 0.669 4.838 4.170 -0.000 0.000 0.295 583 I C -1.112 175.091 176.117 0.144 0.000 1.161 583 I CA -0.620 60.775 61.300 0.158 0.000 1.032 583 I CB 2.457 40.561 38.000 0.174 0.000 1.244 583 I HN 0.623 nan 8.210 nan 0.000 0.421 584 E N 4.766 125.040 120.200 0.123 0.000 2.413 584 E HA 0.849 5.199 4.350 -0.000 0.000 0.277 584 E C -2.089 174.575 176.600 0.106 0.000 0.958 584 E CA -1.080 55.389 56.400 0.115 0.000 0.779 584 E CB 2.647 32.401 29.700 0.090 0.000 1.278 584 E HN 1.056 nan 8.360 nan 0.000 0.456 585 A N 2.902 125.787 122.820 0.107 0.000 2.517 585 A HA 0.652 4.971 4.320 -0.000 0.000 0.297 585 A C -1.578 176.058 177.584 0.088 0.000 1.050 585 A CA -0.778 51.317 52.037 0.095 0.000 0.694 585 A CB 1.609 20.669 19.000 0.100 0.000 1.277 585 A HN 0.484 nan 8.150 nan 0.000 0.400 586 K N 0.571 121.010 120.400 0.065 0.000 2.513 586 K HA 0.778 5.098 4.320 -0.000 0.000 0.251 586 K C -0.616 176.008 176.600 0.039 0.000 0.939 586 K CA -0.359 55.960 56.287 0.053 0.000 0.793 586 K CB 2.587 35.106 32.500 0.031 0.000 1.241 586 K HN 1.175 nan 8.250 nan 0.000 0.431 587 A N 0.953 123.798 122.820 0.042 0.000 2.567 587 A HA 0.884 5.203 4.320 -0.000 0.000 0.289 587 A C -1.606 175.991 177.584 0.022 0.000 1.177 587 A CA -0.676 51.377 52.037 0.026 0.000 0.694 587 A CB 1.773 20.792 19.000 0.032 0.000 1.292 587 A HN 0.646 nan 8.150 nan 0.000 0.425 588 A N 0.360 123.183 122.820 0.006 0.000 3.317 588 A HA 0.524 4.844 4.320 -0.000 0.000 0.307 588 A C 0.403 177.975 177.584 -0.021 0.000 1.003 588 A CA -0.305 51.730 52.037 -0.003 0.000 0.882 588 A CB -0.721 18.276 19.000 -0.006 0.000 1.136 588 A HN 0.773 nan 8.150 nan 0.000 0.488 589 L N 0.098 121.305 121.223 -0.026 0.000 2.551 589 L HA -0.051 4.289 4.340 -0.000 0.000 0.230 589 L C 1.120 177.949 176.870 -0.068 0.000 1.163 589 L CA 1.520 56.336 54.840 -0.040 0.000 0.826 589 L CB -0.200 41.830 42.059 -0.048 0.000 0.943 589 L HN 0.659 nan 8.230 nan 0.000 0.452 590 S N -2.753 112.897 115.700 -0.083 0.000 2.633 590 S HA 0.461 4.931 4.470 -0.000 0.000 0.271 590 S C 0.105 174.639 174.600 -0.111 0.000 1.112 590 S CA -0.160 57.973 58.200 -0.111 0.000 0.828 590 S CB 0.963 64.067 63.200 -0.159 0.000 1.086 590 S HN -0.024 nan 8.310 nan 0.000 0.461 591 A N 1.225 123.946 122.820 -0.166 0.000 2.239 591 A HA 0.252 4.572 4.320 -0.000 0.000 0.209 591 A C 1.560 179.054 177.584 -0.150 0.000 1.171 591 A CA 1.520 53.429 52.037 -0.212 0.000 0.768 591 A CB -0.866 17.894 19.000 -0.400 0.000 0.790 591 A HN 1.436 nan 8.150 nan 0.000 0.478 592 S N -2.409 113.249 115.700 -0.069 0.000 2.593 592 S HA 0.298 4.768 4.470 -0.000 0.000 0.235 592 S C 0.121 174.634 174.600 -0.145 0.000 1.059 592 S CA 0.059 58.338 58.200 0.132 0.000 0.953 592 S CB 0.079 63.375 63.200 0.160 0.000 0.897 592 S HN 0.065 nan 8.310 nan 0.000 0.507 593 V N 2.673 122.445 119.914 -0.236 0.000 2.398 593 V HA 0.514 4.633 4.120 -0.000 0.000 0.286 593 V C -0.771 175.272 176.094 -0.084 0.000 1.026 593 V CA -0.627 61.526 62.300 -0.243 0.000 0.868 593 V CB 1.220 32.869 31.823 -0.289 0.000 0.982 593 V HN 0.445 nan 8.190 nan 0.000 0.443 594 N N 2.392 121.073 118.700 -0.031 0.000 2.310 594 N HA 0.743 5.483 4.740 -0.000 0.000 0.292 594 N C -1.332 174.226 175.510 0.081 0.000 1.049 594 N CA -0.520 52.560 53.050 0.050 0.000 0.849 594 N CB 2.680 41.242 38.487 0.125 0.000 1.532 594 N HN 0.567 nan 8.380 nan 0.000 0.479 595 V N -0.170 119.795 119.914 0.085 0.000 2.789 595 V HA 0.829 4.949 4.120 -0.000 0.000 0.311 595 V C -0.730 175.443 176.094 0.132 0.000 1.073 595 V CA -0.631 61.733 62.300 0.107 0.000 0.921 595 V CB 1.711 33.566 31.823 0.053 0.000 1.009 595 V HN 0.265 nan 8.190 nan 0.000 0.426 596 V N 2.493 122.510 119.914 0.172 0.000 2.777 596 V HA 0.990 5.110 4.120 -0.000 0.000 0.306 596 V C 0.371 176.590 176.094 0.208 0.000 1.112 596 V CA 0.470 62.857 62.300 0.146 0.000 0.917 596 V CB 1.731 33.600 31.823 0.077 0.000 1.018 596 V HN 1.547 nan 8.190 nan 0.000 0.426 597 G N 2.300 111.222 108.800 0.203 0.000 2.646 597 G HA2 0.843 4.803 3.960 -0.000 0.000 0.291 597 G HA3 0.843 4.803 3.960 -0.000 0.000 0.291 597 G C -1.079 173.942 174.900 0.202 0.000 1.445 597 G CA 0.063 45.309 45.100 0.244 0.000 0.814 597 G HN 1.319 nan 8.290 nan 0.000 0.495 598 S N -1.143 114.681 115.700 0.208 0.000 2.567 598 S HA 0.730 5.200 4.470 -0.000 0.000 0.270 598 S C -1.910 172.819 174.600 0.215 0.000 1.152 598 S CA -0.862 57.447 58.200 0.181 0.000 0.835 598 S CB 1.928 65.209 63.200 0.134 0.000 1.115 598 S HN 1.861 nan 8.310 nan 0.000 0.459 599 Y N 0.934 121.291 120.300 0.094 0.000 2.457 599 Y HA 0.668 5.218 4.550 -0.000 0.000 0.343 599 Y C -1.172 174.798 175.900 0.117 0.000 0.994 599 Y CA -0.240 57.921 58.100 0.103 0.000 1.031 599 Y CB 2.229 40.737 38.460 0.080 0.000 1.246 599 Y HN 1.011 nan 8.280 nan 0.000 0.449 600 T N 4.638 118.734 114.554 -0.763 0.000 2.841 600 T HA 0.318 4.668 4.350 -0.000 0.000 0.285 600 T C -1.825 172.533 174.700 -0.570 0.000 0.991 600 T CA -0.567 61.235 62.100 -0.496 0.000 0.966 600 T CB 1.266 70.005 68.868 -0.215 0.000 0.962 600 T HN 0.523 nan 8.240 nan 0.000 0.438 601 Y N 3.034 123.084 120.300 -0.417 0.000 2.334 601 Y HA 0.530 5.080 4.550 -0.000 0.000 0.336 601 Y C -0.507 175.279 175.900 -0.191 0.000 0.960 601 Y CA -0.975 56.996 58.100 -0.216 0.000 1.164 601 Y CB 1.025 39.504 38.460 0.031 0.000 1.155 601 Y HN 0.806 nan 8.280 nan 0.000 0.478 602 T N 4.507 118.651 114.554 -0.684 0.000 2.847 602 T HA 0.231 4.581 4.350 -0.000 0.000 0.291 602 T C -1.227 173.081 174.700 -0.653 0.000 0.998 602 T CA -0.876 60.903 62.100 -0.535 0.000 0.967 602 T CB 1.306 69.999 68.868 -0.292 0.000 0.954 602 T HN 0.653 nan 8.240 nan 0.000 0.441 603 D N 2.935 122.996 120.400 -0.565 0.000 2.464 603 D HA 0.459 5.099 4.640 -0.000 0.000 0.243 603 D C -0.649 175.497 176.300 -0.257 0.000 1.104 603 D CA -0.465 53.284 54.000 -0.419 0.000 0.883 603 D CB 1.018 41.595 40.800 -0.370 0.000 1.050 603 D HN 0.699 nan 8.370 nan 0.000 0.524 604 A N 3.734 126.386 122.820 -0.281 0.000 2.292 604 A HA 0.585 4.905 4.320 -0.000 0.000 0.319 604 A C -0.242 177.162 177.584 -0.299 0.000 1.206 604 A CA -0.576 51.277 52.037 -0.305 0.000 0.835 604 A CB 1.170 19.906 19.000 -0.440 0.000 1.164 604 A HN 0.660 nan 8.150 nan 0.000 0.505 605 E N 1.527 121.578 120.200 -0.248 0.000 2.366 605 E HA 0.456 4.806 4.350 -0.000 0.000 0.278 605 E C -1.911 174.606 176.600 -0.139 0.000 0.923 605 E CA -0.615 55.663 56.400 -0.204 0.000 0.761 605 E CB 1.178 30.823 29.700 -0.092 0.000 1.231 605 E HN 0.575 nan 8.360 nan 0.000 0.443 606 Y N 2.683 122.959 120.300 -0.039 0.000 2.539 606 Y HA 0.091 4.641 4.550 -0.000 0.000 0.352 606 Y C 1.455 177.359 175.900 0.006 0.000 1.004 606 Y CA 0.247 58.347 58.100 -0.001 0.000 1.278 606 Y CB 1.076 39.545 38.460 0.015 0.000 1.136 606 Y HN 0.569 nan 8.280 nan 0.000 0.528 607 T N -1.021 113.629 114.554 0.160 0.000 2.896 607 T HA 0.003 4.353 4.350 -0.000 0.000 0.263 607 T C 0.354 175.109 174.700 0.092 0.000 1.050 607 T CA 0.997 63.159 62.100 0.102 0.000 1.140 607 T CB -0.085 68.832 68.868 0.082 0.000 0.877 607 T HN 0.542 nan 8.240 nan 0.000 0.457 608 T N 1.197 115.815 114.554 0.106 0.000 2.971 608 T HA 0.630 4.980 4.350 -0.000 0.000 0.304 608 T C -1.711 173.013 174.700 0.040 0.000 1.038 608 T CA -0.891 61.244 62.100 0.058 0.000 1.007 608 T CB 2.727 71.622 68.868 0.044 0.000 1.055 608 T HN 0.187 nan 8.240 nan 0.000 0.451 609 D N 1.283 121.666 120.400 -0.028 0.000 2.602 609 D HA 0.101 4.741 4.640 -0.000 0.000 0.215 609 D C 0.987 177.193 176.300 -0.157 0.000 1.148 609 D CA -0.263 53.673 54.000 -0.107 0.000 0.764 609 D CB 1.871 42.538 40.800 -0.221 0.000 2.364 609 D HN 0.505 nan 8.370 nan 0.000 0.484 610 T N 1.174 115.633 114.554 -0.157 0.000 2.544 610 T HA -0.184 4.165 4.350 -0.000 0.000 0.264 610 T C 1.727 176.276 174.700 -0.251 0.000 1.096 610 T CA 2.416 64.418 62.100 -0.163 0.000 1.181 610 T CB -0.696 68.089 68.868 -0.139 0.000 0.864 610 T HN 0.565 nan 8.240 nan 0.000 0.415 611 T N 1.154 115.453 114.554 -0.424 0.000 3.379 611 T HA 0.138 4.487 4.350 -0.000 0.000 0.194 611 T C 0.492 174.829 174.700 -0.605 0.000 0.806 611 T CA -0.151 61.565 62.100 -0.641 0.000 2.531 611 T CB -1.046 67.098 68.868 -1.206 0.000 1.786 611 T HN 0.360 nan 8.240 nan 0.000 0.360 612 Y N 2.272 122.396 120.300 -0.293 0.000 2.986 612 Y HA 0.308 4.858 4.550 -0.000 0.000 0.342 612 Y C 0.690 176.389 175.900 -0.335 0.000 1.275 612 Y CA -0.008 57.878 58.100 -0.357 0.000 1.527 612 Y CB -0.097 37.984 38.460 -0.632 0.000 1.296 612 Y HN 0.403 nan 8.280 nan 0.000 0.628 613 K N 0.170 120.571 120.400 0.003 0.000 2.579 613 K HA 0.410 4.729 4.320 -0.000 0.000 0.257 613 K C 0.240 176.902 176.600 0.104 0.000 0.950 613 K CA 0.138 56.461 56.287 0.060 0.000 0.862 613 K CB 1.288 33.785 32.500 -0.003 0.000 1.317 613 K HN 0.929 nan 8.250 nan 0.000 0.436 614 G N 1.977 110.862 108.800 0.141 0.000 2.175 614 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.265 614 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.265 614 G C -0.335 174.575 174.900 0.017 0.000 0.979 614 G CA 0.744 45.878 45.100 0.058 0.000 0.663 614 G HN 0.576 nan 8.290 nan 0.000 0.533 615 N N 0.575 119.342 118.700 0.111 0.000 2.495 615 N HA 0.602 5.342 4.740 -0.000 0.000 0.280 615 N C 0.321 175.748 175.510 -0.139 0.000 1.168 615 N CA 0.442 53.474 53.050 -0.029 0.000 0.978 615 N CB 0.859 39.405 38.487 0.099 0.000 1.191 615 N HN 0.250 nan 8.380 nan 0.000 0.497 616 T N -0.267 114.034 114.554 -0.422 0.000 2.882 616 T HA 0.455 4.805 4.350 -0.000 0.000 0.287 616 T C -2.526 171.952 174.700 -0.371 0.000 0.992 616 T CA -1.597 60.246 62.100 -0.428 0.000 1.076 616 T CB 1.392 70.011 68.868 -0.415 0.000 0.961 616 T HN 0.224 nan 8.240 nan 0.000 0.490 617 P HA 0.329 nan 4.420 nan 0.000 0.271 617 P C -0.220 176.940 177.300 -0.233 0.000 1.216 617 P CA -0.224 62.668 63.100 -0.348 0.000 0.771 617 P CB 0.309 31.733 31.700 -0.459 0.000 0.864 618 A N 3.311 126.017 122.820 -0.189 0.000 2.409 618 A HA -0.002 4.318 4.320 -0.000 0.000 0.246 618 A C 0.786 178.290 177.584 -0.134 0.000 1.099 618 A CA 0.254 52.197 52.037 -0.158 0.000 0.789 618 A CB -0.629 18.259 19.000 -0.187 0.000 1.053 618 A HN 0.724 nan 8.150 nan 0.000 0.503 619 Q N -3.135 116.598 119.800 -0.111 0.000 2.406 619 Q HA -0.190 4.149 4.340 -0.000 0.000 0.236 619 Q C -0.167 175.775 176.000 -0.096 0.000 0.799 619 Q CA 1.014 56.774 55.803 -0.071 0.000 1.286 619 Q CB -2.147 26.577 28.738 -0.022 0.000 1.615 619 Q HN 1.194 nan 8.270 nan 0.000 0.621 620 V N 0.865 120.697 119.914 -0.136 0.000 2.380 620 V HA 0.514 4.634 4.120 -0.000 0.000 0.286 620 V C -2.274 173.721 176.094 -0.165 0.000 1.015 620 V CA -1.978 60.220 62.300 -0.169 0.000 0.834 620 V CB 1.705 33.386 31.823 -0.237 0.000 1.009 620 V HN 0.014 nan 8.190 nan 0.000 0.428 621 P HA 0.321 nan 4.420 nan 0.000 0.277 621 P C 0.104 177.269 177.300 -0.225 0.000 1.240 621 P CA -0.367 62.622 63.100 -0.185 0.000 0.798 621 P CB 1.787 33.358 31.700 -0.215 0.000 0.979 622 K N 0.078 120.328 120.400 -0.250 0.000 2.062 622 K HA -0.044 4.275 4.320 -0.000 0.000 0.205 622 K C 0.695 176.981 176.600 -0.524 0.000 1.051 622 K CA 1.011 57.037 56.287 -0.434 0.000 0.941 622 K CB -0.011 32.219 32.500 -0.449 0.000 0.719 622 K HN 0.596 nan 8.250 nan 0.000 0.440 623 H N -0.661 118.419 119.070 0.017 0.000 2.469 623 H HA 0.408 4.964 4.556 -0.000 0.000 0.342 623 H C -0.518 174.806 175.328 -0.007 0.000 1.115 623 H CA -0.189 55.910 56.048 0.084 0.000 1.204 623 H CB 1.467 31.419 29.762 0.317 0.000 1.492 623 H HN 0.004 nan 8.280 nan 0.000 0.499 624 M N 1.548 121.182 119.600 0.057 0.000 2.365 624 M HA 0.582 5.062 4.480 -0.000 0.000 0.287 624 M C -1.254 175.069 176.300 0.037 0.000 1.154 624 M CA -0.608 54.701 55.300 0.015 0.000 0.941 624 M CB 3.099 35.636 32.600 -0.103 0.000 1.704 624 M HN 0.715 nan 8.290 nan 0.000 0.479 625 A N 1.710 124.637 122.820 0.178 0.000 2.604 625 A HA 0.942 5.261 4.320 -0.000 0.000 0.295 625 A C -1.246 176.431 177.584 0.156 0.000 1.067 625 A CA -0.568 51.589 52.037 0.200 0.000 0.683 625 A CB 1.893 21.103 19.000 0.351 0.000 1.281 625 A HN 0.869 nan 8.150 nan 0.000 0.407 626 S N -0.003 115.789 115.700 0.153 0.000 2.537 626 S HA 0.809 5.279 4.470 -0.000 0.000 0.270 626 S C -1.525 173.264 174.600 0.315 0.000 1.142 626 S CA -0.607 57.680 58.200 0.146 0.000 0.870 626 S CB 1.450 64.594 63.200 -0.092 0.000 1.112 626 S HN 2.007 nan 8.310 nan 0.000 0.466 627 L N 1.652 123.136 121.223 0.435 0.000 2.482 627 L HA 0.891 5.231 4.340 -0.000 0.000 0.263 627 L C -2.153 175.035 176.870 0.530 0.000 0.957 627 L CA 0.004 55.084 54.840 0.400 0.000 0.836 627 L CB 2.022 44.217 42.059 0.227 0.000 1.324 627 L HN 1.015 nan 8.230 nan 0.000 0.406 628 W N 5.032 126.401 121.300 0.114 0.000 3.439 628 W HA 0.777 5.437 4.660 -0.000 0.000 0.323 628 W C -1.656 174.826 176.519 -0.062 0.000 1.174 628 W CA -0.195 57.128 57.345 -0.037 0.000 1.224 628 W CB 1.876 31.052 29.460 -0.473 0.000 1.348 628 W HN 0.832 nan 8.180 nan 0.000 0.498 629 A N 4.093 126.577 122.820 -0.560 0.000 2.515 629 A HA 0.711 5.031 4.320 -0.000 0.000 0.298 629 A C -1.529 175.437 177.584 -1.029 0.000 1.059 629 A CA -0.592 51.153 52.037 -0.486 0.000 0.698 629 A CB 1.555 20.422 19.000 -0.223 0.000 1.289 629 A HN 0.609 nan 8.150 nan 0.000 0.404 630 D N -0.686 119.400 120.400 -0.523 0.000 2.477 630 D HA 0.642 5.282 4.640 -0.000 0.000 0.234 630 D C -1.198 175.053 176.300 -0.083 0.000 1.048 630 D CA -0.448 53.347 54.000 -0.343 0.000 0.959 630 D CB 1.260 42.092 40.800 0.054 0.000 1.408 630 D HN 0.394 nan 8.370 nan 0.000 0.496 631 Y N -0.094 120.075 120.300 -0.218 0.000 2.470 631 Y HA 0.557 5.107 4.550 -0.000 0.000 0.341 631 Y C -1.473 174.232 175.900 -0.324 0.000 1.021 631 Y CA -1.189 56.770 58.100 -0.236 0.000 1.025 631 Y CB 2.128 40.404 38.460 -0.308 0.000 1.266 631 Y HN 0.614 nan 8.280 nan 0.000 0.448 632 T N 4.738 119.524 114.554 0.386 0.000 2.824 632 T HA 0.564 4.914 4.350 -0.000 0.000 0.282 632 T C -1.017 173.770 174.700 0.146 0.000 0.993 632 T CA -0.496 61.623 62.100 0.032 0.000 0.967 632 T CB 1.041 69.909 68.868 -0.001 0.000 0.960 632 T HN 0.262 nan 8.240 nan 0.000 0.441 633 F N 2.048 122.011 119.950 0.021 0.000 2.411 633 F HA 0.504 5.031 4.527 -0.000 0.000 0.350 633 F C 0.330 176.135 175.800 0.008 0.000 1.114 633 F CA -1.736 56.309 58.000 0.076 0.000 1.135 633 F CB 0.604 39.561 39.000 -0.071 0.000 1.120 633 F HN 0.580 nan 8.300 nan 0.000 0.495 634 F N 0.751 120.886 119.950 0.308 0.000 2.654 634 F HA 0.208 4.734 4.527 -0.000 0.000 0.303 634 F C 0.880 176.758 175.800 0.131 0.000 1.099 634 F CA -0.150 57.956 58.000 0.176 0.000 1.270 634 F CB 0.001 39.085 39.000 0.140 0.000 1.024 634 F HN 0.377 nan 8.300 nan 0.000 0.548 635 D N -0.811 119.754 120.400 0.275 0.000 3.000 635 D HA 0.156 4.796 4.640 -0.000 0.000 0.190 635 D C 1.467 177.796 176.300 0.047 0.000 1.503 635 D CA 0.333 54.418 54.000 0.143 0.000 1.496 635 D CB -0.915 39.962 40.800 0.128 0.000 1.163 635 D HN 0.027 nan 8.370 nan 0.000 0.231 636 G N 2.240 111.013 108.800 -0.044 0.000 3.076 636 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.248 636 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.248 636 G C -1.419 173.436 174.900 -0.074 0.000 1.258 636 G CA -0.179 44.849 45.100 -0.121 0.000 0.895 636 G HN 0.103 nan 8.290 nan 0.000 0.618 637 P HA -0.058 nan 4.420 nan 0.000 0.234 637 P C 0.796 178.097 177.300 0.001 0.000 1.162 637 P CA 0.882 63.965 63.100 -0.029 0.000 0.759 637 P CB 0.034 31.707 31.700 -0.044 0.000 0.813 638 L N -0.612 120.593 121.223 -0.030 0.000 2.978 638 L HA 0.226 4.566 4.340 -0.000 0.000 0.239 638 L C 0.986 177.995 176.870 0.232 0.000 1.293 638 L CA -0.398 54.493 54.840 0.084 0.000 1.085 638 L CB -0.142 41.921 42.059 0.007 0.000 1.432 638 L HN -0.129 nan 8.230 nan 0.000 0.512 639 S N 0.388 116.194 115.700 0.178 0.000 2.564 639 S HA 0.397 4.867 4.470 -0.000 0.000 0.278 639 S C 1.282 175.932 174.600 0.083 0.000 1.333 639 S CA 0.559 58.837 58.200 0.130 0.000 1.048 639 S CB 0.744 63.993 63.200 0.081 0.000 0.900 639 S HN 0.745 nan 8.310 nan 0.000 0.505 640 G N 2.587 111.319 108.800 -0.113 0.000 2.176 640 G HA2 -0.215 3.744 3.960 -0.000 0.000 0.252 640 G HA3 -0.215 3.744 3.960 -0.000 0.000 0.252 640 G C -0.356 174.495 174.900 -0.081 0.000 1.024 640 G CA 0.501 45.443 45.100 -0.263 0.000 0.755 640 G HN 1.024 nan 8.290 nan 0.000 0.507 641 L N 1.579 122.842 121.223 0.067 0.000 2.319 641 L HA 0.807 5.147 4.340 -0.000 0.000 0.281 641 L C 0.192 177.009 176.870 -0.087 0.000 1.005 641 L CA -0.198 54.728 54.840 0.143 0.000 0.828 641 L CB 1.804 44.021 42.059 0.264 0.000 1.227 641 L HN 0.185 nan 8.230 nan 0.000 0.415 642 T N 4.911 119.422 114.554 -0.072 0.000 2.794 642 T HA 0.647 4.997 4.350 -0.000 0.000 0.280 642 T C -0.314 174.323 174.700 -0.104 0.000 0.987 642 T CA -0.504 61.530 62.100 -0.110 0.000 0.993 642 T CB 1.203 70.059 68.868 -0.020 0.000 0.939 642 T HN 0.487 nan 8.240 nan 0.000 0.449 643 L N 2.654 123.778 121.223 -0.167 0.000 2.372 643 L HA 0.727 5.067 4.340 -0.000 0.000 0.273 643 L C 0.430 177.206 176.870 -0.156 0.000 0.989 643 L CA -0.739 54.018 54.840 -0.138 0.000 0.841 643 L CB 1.614 43.574 42.059 -0.166 0.000 1.225 643 L HN 0.922 nan 8.230 nan 0.000 0.414 644 G N 0.528 109.243 108.800 -0.142 0.000 2.569 644 G HA2 0.727 4.687 3.960 -0.000 0.000 0.300 644 G HA3 0.727 4.687 3.960 -0.000 0.000 0.300 644 G C -1.296 173.391 174.900 -0.355 0.000 1.269 644 G CA -0.424 44.443 45.100 -0.389 0.000 0.959 644 G HN 0.363 nan 8.290 nan 0.000 0.478 645 T N -1.705 112.381 114.554 -0.781 0.000 2.786 645 T HA 0.758 5.108 4.350 -0.000 0.000 0.316 645 T C -0.297 174.002 174.700 -0.669 0.000 1.503 645 T CA 0.537 62.387 62.100 -0.417 0.000 1.019 645 T CB 1.420 70.170 68.868 -0.197 0.000 1.415 645 T HN 1.860 nan 8.240 nan 0.000 0.496 646 G N -0.293 108.523 108.800 0.027 0.000 2.554 646 G HA2 0.717 4.676 3.960 -0.000 0.000 0.306 646 G HA3 0.717 4.676 3.960 -0.000 0.000 0.306 646 G C -0.687 174.454 174.900 0.401 0.000 1.320 646 G CA -0.104 45.196 45.100 0.332 0.000 0.800 646 G HN 1.200 nan 8.290 nan 0.000 0.481 647 G N -0.778 108.287 108.800 0.440 0.000 2.742 647 G HA2 0.637 4.597 3.960 -0.000 0.000 0.296 647 G HA3 0.637 4.597 3.960 -0.000 0.000 0.296 647 G C -1.557 173.444 174.900 0.168 0.000 1.436 647 G CA -0.817 44.442 45.100 0.264 0.000 0.928 647 G HN 0.546 nan 8.290 nan 0.000 0.520 648 R N 0.071 120.610 120.500 0.064 0.000 2.599 648 R HA 0.571 4.911 4.340 -0.000 0.000 0.295 648 R C -1.600 174.751 176.300 0.085 0.000 0.963 648 R CA -0.816 55.267 56.100 -0.029 0.000 0.883 648 R CB 2.265 32.462 30.300 -0.172 0.000 1.171 648 R HN 0.599 nan 8.270 nan 0.000 0.450 649 Y N 1.192 121.467 120.300 -0.041 0.000 2.376 649 Y HA 0.515 5.065 4.550 -0.000 0.000 0.340 649 Y C -1.113 174.713 175.900 -0.123 0.000 0.965 649 Y CA -0.546 57.518 58.100 -0.060 0.000 1.078 649 Y CB 1.967 40.420 38.460 -0.012 0.000 1.193 649 Y HN 0.646 nan 8.280 nan 0.000 0.452 650 T N 3.989 117.982 114.554 -0.934 0.000 2.840 650 T HA 0.609 4.959 4.350 -0.000 0.000 0.287 650 T C 0.383 174.323 174.700 -1.266 0.000 0.991 650 T CA -0.560 60.998 62.100 -0.903 0.000 0.964 650 T CB 1.309 69.736 68.868 -0.735 0.000 0.954 650 T HN 0.964 nan 8.240 nan 0.000 0.438 651 G N 1.901 110.202 108.800 -0.832 0.000 2.653 651 G HA2 0.454 4.413 3.960 -0.000 0.000 0.265 651 G HA3 0.454 4.413 3.960 -0.000 0.000 0.265 651 G C 0.353 175.042 174.900 -0.352 0.000 1.237 651 G CA -0.676 44.137 45.100 -0.478 0.000 0.946 651 G HN 1.003 nan 8.290 nan 0.000 0.522 652 S N -1.124 114.463 115.700 -0.188 0.000 2.573 652 S HA 0.495 4.965 4.470 -0.000 0.000 0.277 652 S C 0.231 174.706 174.600 -0.208 0.000 1.346 652 S CA 0.260 58.346 58.200 -0.190 0.000 1.034 652 S CB 1.023 64.132 63.200 -0.152 0.000 0.879 652 S HN 1.539 nan 8.310 nan 0.000 0.528 653 S N 0.554 116.107 115.700 -0.245 0.000 2.556 653 S HA 0.547 5.017 4.470 -0.000 0.000 0.271 653 S C -1.437 172.956 174.600 -0.346 0.000 1.135 653 S CA -0.989 57.084 58.200 -0.211 0.000 0.858 653 S CB 0.229 63.337 63.200 -0.152 0.000 1.114 653 S HN 0.638 nan 8.310 nan 0.000 0.468 654 Y N 1.010 121.157 120.300 -0.255 0.000 2.359 654 Y HA 0.484 5.034 4.550 -0.000 0.000 0.330 654 Y C 1.607 177.217 175.900 -0.483 0.000 1.143 654 Y CA 0.445 58.334 58.100 -0.351 0.000 1.318 654 Y CB 0.782 39.075 38.460 -0.279 0.000 1.234 654 Y HN 1.007 nan 8.280 nan 0.000 0.522 655 G N 2.339 110.669 108.800 -0.784 0.000 3.518 655 G HA2 0.282 4.242 3.960 -0.000 0.000 0.273 655 G HA3 0.282 4.242 3.960 -0.000 0.000 0.273 655 G C -0.881 173.543 174.900 -0.793 0.000 1.199 655 G CA 0.059 44.590 45.100 -0.948 0.000 0.899 655 G HN 0.727 nan 8.290 nan 0.000 0.533 656 D N -2.660 117.442 120.400 -0.497 0.000 2.951 656 D HA 0.027 4.667 4.640 -0.000 0.000 0.262 656 D C -2.807 173.320 176.300 -0.287 0.000 1.110 656 D CA -0.998 52.786 54.000 -0.360 0.000 0.724 656 D CB 0.723 41.373 40.800 -0.250 0.000 1.516 656 D HN -0.091 nan 8.370 nan 0.000 0.447 657 P HA -0.071 nan 4.420 nan 0.000 0.216 657 P C 1.308 178.257 177.300 -0.584 0.000 1.153 657 P CA 2.767 65.469 63.100 -0.664 0.000 0.858 657 P CB 0.071 31.140 31.700 -1.051 0.000 0.789 658 A N -1.187 121.529 122.820 -0.172 0.000 2.168 658 A HA -0.097 4.223 4.320 -0.000 0.000 0.215 658 A C 0.758 178.377 177.584 0.058 0.000 1.152 658 A CA 0.807 52.927 52.037 0.139 0.000 0.716 658 A CB -1.476 17.630 19.000 0.176 0.000 0.794 658 A HN 0.274 nan 8.150 nan 0.000 0.465 659 N N -1.265 117.430 118.700 -0.008 0.000 2.747 659 N HA -0.199 4.541 4.740 -0.000 0.000 0.249 659 N C 0.961 176.570 175.510 0.165 0.000 1.107 659 N CA 0.414 53.535 53.050 0.118 0.000 0.707 659 N CB -1.216 37.265 38.487 -0.011 0.000 1.054 659 N HN 0.475 nan 8.380 nan 0.000 0.555 660 S N -0.275 115.502 115.700 0.128 0.000 2.359 660 S HA -0.112 4.358 4.470 -0.000 0.000 0.224 660 S C 0.530 175.298 174.600 0.280 0.000 1.035 660 S CA 1.789 60.109 58.200 0.200 0.000 1.018 660 S CB 0.085 63.432 63.200 0.245 0.000 0.876 660 S HN 0.483 nan 8.310 nan 0.000 0.448 661 F N -0.743 119.188 119.950 -0.032 0.000 2.849 661 F HA 0.840 5.367 4.527 -0.000 0.000 0.341 661 F C -0.841 174.867 175.800 -0.154 0.000 1.185 661 F CA -1.606 56.346 58.000 -0.081 0.000 1.007 661 F CB 1.027 39.964 39.000 -0.105 0.000 1.454 661 F HN -0.282 nan 8.300 nan 0.000 0.518 662 K N 0.869 121.179 120.400 -0.151 0.000 2.422 662 K HA 0.657 4.977 4.320 -0.000 0.000 0.251 662 K C -1.814 174.674 176.600 -0.187 0.000 0.933 662 K CA -1.099 54.942 56.287 -0.410 0.000 0.798 662 K CB 2.964 35.175 32.500 -0.481 0.000 1.238 662 K HN 0.499 nan 8.250 nan 0.000 0.428 663 V N 1.695 121.463 119.914 -0.244 0.000 2.432 663 V HA 0.282 4.402 4.120 -0.000 0.000 0.275 663 V C 0.641 176.706 176.094 -0.048 0.000 1.043 663 V CA -0.682 61.575 62.300 -0.071 0.000 0.925 663 V CB 1.300 33.086 31.823 -0.061 0.000 0.985 663 V HN 0.915 nan 8.190 nan 0.000 0.466 664 G N 3.602 112.427 108.800 0.042 0.000 2.378 664 G HA2 0.353 4.313 3.960 -0.000 0.000 0.255 664 G HA3 0.353 4.313 3.960 -0.000 0.000 0.255 664 G C 0.494 175.422 174.900 0.046 0.000 1.270 664 G CA 0.126 45.252 45.100 0.043 0.000 0.876 664 G HN 0.982 nan 8.290 nan 0.000 0.521 665 S N 1.313 116.953 115.700 -0.100 0.000 2.560 665 S HA 0.388 4.858 4.470 -0.000 0.000 0.276 665 S C -0.231 174.246 174.600 -0.204 0.000 1.350 665 S CA 0.338 58.338 58.200 -0.333 0.000 1.024 665 S CB 0.228 63.267 63.200 -0.269 0.000 0.864 665 S HN 1.163 nan 8.310 nan 0.000 0.536 666 Y N -2.419 117.759 120.300 -0.202 0.000 2.670 666 Y HA 0.753 5.303 4.550 -0.000 0.000 0.334 666 Y C -0.897 174.901 175.900 -0.170 0.000 1.185 666 Y CA -1.208 56.794 58.100 -0.162 0.000 1.053 666 Y CB 0.867 39.159 38.460 -0.279 0.000 1.298 666 Y HN 0.740 nan 8.280 nan 0.000 0.459 667 T N 0.482 115.114 114.554 0.129 0.000 3.031 667 T HA 0.610 4.960 4.350 -0.000 0.000 0.305 667 T C -1.427 173.333 174.700 0.099 0.000 0.985 667 T CA -0.663 61.531 62.100 0.157 0.000 1.008 667 T CB 1.181 70.214 68.868 0.275 0.000 1.005 667 T HN 0.651 nan 8.240 nan 0.000 0.444 668 V N 3.126 123.071 119.914 0.051 0.000 2.513 668 V HA 0.581 4.701 4.120 -0.000 0.000 0.299 668 V C -0.025 176.116 176.094 0.079 0.000 1.035 668 V CA -0.754 61.568 62.300 0.035 0.000 0.889 668 V CB 2.028 33.836 31.823 -0.025 0.000 0.988 668 V HN 0.811 nan 8.190 nan 0.000 0.440 669 V N 3.657 123.589 119.914 0.030 0.000 2.532 669 V HA 0.521 4.641 4.120 -0.000 0.000 0.295 669 V C -0.543 175.574 176.094 0.037 0.000 1.041 669 V CA -0.514 61.785 62.300 -0.002 0.000 0.926 669 V CB 1.883 33.561 31.823 -0.243 0.000 0.992 669 V HN 0.866 nan 8.190 nan 0.000 0.457 670 D N 2.509 123.015 120.400 0.175 0.000 2.619 670 D HA 0.825 5.465 4.640 -0.000 0.000 0.241 670 D C -0.437 176.027 176.300 0.273 0.000 1.087 670 D CA -0.060 54.108 54.000 0.279 0.000 0.851 670 D CB 2.376 43.487 40.800 0.518 0.000 1.474 670 D HN 0.785 nan 8.370 nan 0.000 0.478 671 A N 1.153 124.108 122.820 0.225 0.000 2.606 671 A HA 0.815 5.135 4.320 -0.000 0.000 0.293 671 A C -1.480 176.199 177.584 0.158 0.000 1.082 671 A CA -0.738 51.393 52.037 0.157 0.000 0.685 671 A CB 1.469 20.484 19.000 0.025 0.000 1.284 671 A HN 0.569 nan 8.150 nan 0.000 0.408 672 L N -1.017 120.272 121.223 0.110 0.000 2.568 672 L HA 0.976 5.315 4.340 -0.000 0.000 0.257 672 L C -1.411 175.442 176.870 -0.030 0.000 1.024 672 L CA -1.126 53.731 54.840 0.027 0.000 0.854 672 L CB 2.112 44.229 42.059 0.097 0.000 1.460 672 L HN 1.388 nan 8.230 nan 0.000 0.409 673 V N -0.949 118.905 119.914 -0.100 0.000 2.655 673 V HA 0.721 4.840 4.120 -0.000 0.000 0.301 673 V C -0.915 175.135 176.094 -0.073 0.000 1.082 673 V CA -0.499 61.760 62.300 -0.069 0.000 0.899 673 V CB 1.646 33.434 31.823 -0.060 0.000 1.014 673 V HN 0.998 nan 8.190 nan 0.000 0.429 674 R N 3.525 124.016 120.500 -0.015 0.000 2.740 674 R HA 0.702 5.042 4.340 -0.000 0.000 0.282 674 R C -1.887 174.489 176.300 0.126 0.000 0.969 674 R CA -0.789 55.327 56.100 0.027 0.000 0.918 674 R CB 2.633 32.945 30.300 0.021 0.000 1.175 674 R HN 0.830 nan 8.270 nan 0.000 0.464 675 Y N 1.481 121.760 120.300 -0.034 0.000 2.349 675 Y HA 0.136 4.686 4.550 -0.000 0.000 0.324 675 Y C -0.902 174.991 175.900 -0.011 0.000 1.005 675 Y CA -1.893 56.192 58.100 -0.025 0.000 1.240 675 Y CB 1.079 39.532 38.460 -0.012 0.000 1.117 675 Y HN 0.660 nan 8.280 nan 0.000 0.463 676 D N 4.914 125.077 120.400 -0.395 0.000 2.455 676 D HA -0.052 4.588 4.640 -0.000 0.000 0.265 676 D C 0.584 176.629 176.300 -0.425 0.000 1.284 676 D CA 0.506 54.301 54.000 -0.342 0.000 0.944 676 D CB 0.724 41.339 40.800 -0.309 0.000 1.121 676 D HN 0.604 nan 8.370 nan 0.000 0.525 677 L N 4.023 125.146 121.223 -0.166 0.000 2.642 677 L HA 0.026 4.365 4.340 -0.000 0.000 0.236 677 L C 2.284 179.111 176.870 -0.071 0.000 1.169 677 L CA 0.928 55.729 54.840 -0.064 0.000 0.851 677 L CB -1.082 41.035 42.059 0.095 0.000 0.968 677 L HN 0.650 nan 8.230 nan 0.000 0.453 678 A N -0.254 122.498 122.820 -0.115 0.000 1.917 678 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 678 A C 2.215 179.760 177.584 -0.066 0.000 1.182 678 A CA 1.360 53.351 52.037 -0.078 0.000 0.633 678 A CB -0.480 18.470 19.000 -0.083 0.000 0.819 678 A HN 0.410 nan 8.150 nan 0.000 0.448 679 R N -0.865 119.577 120.500 -0.098 0.000 2.400 679 R HA 0.067 4.407 4.340 -0.000 0.000 0.207 679 R C -0.441 175.862 176.300 0.005 0.000 1.192 679 R CA 0.607 56.683 56.100 -0.039 0.000 1.181 679 R CB -0.237 30.046 30.300 -0.029 0.000 0.947 679 R HN 0.341 nan 8.270 nan 0.000 0.479 680 V N -1.101 118.811 119.914 -0.005 0.000 3.426 680 V HA 0.206 4.326 4.120 -0.000 0.000 0.461 680 V C 0.582 176.664 176.094 -0.019 0.000 1.576 680 V CA 0.062 62.365 62.300 0.006 0.000 1.732 680 V CB 1.069 32.910 31.823 0.029 0.000 1.199 680 V HN 0.403 nan 8.190 nan 0.000 0.603 681 G N 1.799 110.583 108.800 -0.026 0.000 2.246 681 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.273 681 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.273 681 G C -0.040 174.823 174.900 -0.061 0.000 1.055 681 G CA 0.765 45.841 45.100 -0.039 0.000 0.851 681 G HN 0.522 nan 8.290 nan 0.000 0.500 682 M N 0.199 119.768 119.600 -0.051 0.000 2.151 682 M HA 0.504 4.984 4.480 -0.000 0.000 0.229 682 M C 0.429 176.713 176.300 -0.027 0.000 1.029 682 M CA -0.185 55.080 55.300 -0.058 0.000 0.765 682 M CB 1.374 33.943 32.600 -0.052 0.000 1.969 682 M HN 0.512 nan 8.290 nan 0.000 0.352 683 A N 0.245 123.049 122.820 -0.026 0.000 2.386 683 A HA 0.681 5.000 4.320 -0.000 0.000 0.246 683 A C 1.392 178.984 177.584 0.013 0.000 1.089 683 A CA 0.931 52.961 52.037 -0.012 0.000 0.790 683 A CB -0.099 18.898 19.000 -0.005 0.000 1.042 683 A HN 1.216 nan 8.150 nan 0.000 0.497 684 G N -0.261 108.552 108.800 0.021 0.000 2.257 684 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.267 684 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.267 684 G C 0.646 175.591 174.900 0.074 0.000 0.984 684 G CA 0.924 46.054 45.100 0.050 0.000 0.626 684 G HN 1.150 nan 8.290 nan 0.000 0.540 685 S N 0.789 116.537 115.700 0.079 0.000 2.730 685 S HA 0.765 5.235 4.470 -0.000 0.000 0.284 685 S C 0.098 174.741 174.600 0.072 0.000 1.153 685 S CA 0.080 58.361 58.200 0.135 0.000 0.995 685 S CB 1.778 65.142 63.200 0.273 0.000 1.058 685 S HN 1.291 nan 8.310 nan 0.000 0.552 686 N N -1.346 117.394 118.700 0.065 0.000 3.951 686 N HA 0.200 4.940 4.740 -0.000 0.000 0.222 686 N C -2.290 173.231 175.510 0.019 0.000 1.352 686 N CA -0.505 52.566 53.050 0.034 0.000 0.852 686 N CB 0.512 39.006 38.487 0.012 0.000 1.444 686 N HN 0.358 nan 8.380 nan 0.000 0.473 687 V N -0.453 119.496 119.914 0.057 0.000 2.735 687 V HA 0.961 5.081 4.120 -0.000 0.000 0.310 687 V C -0.229 175.886 176.094 0.035 0.000 1.061 687 V CA -0.414 61.914 62.300 0.047 0.000 0.913 687 V CB 1.062 32.938 31.823 0.088 0.000 1.005 687 V HN 1.131 nan 8.190 nan 0.000 0.428 688 A N 3.705 126.523 122.820 -0.003 0.000 2.539 688 A HA 0.944 5.264 4.320 -0.000 0.000 0.296 688 A C -1.854 175.582 177.584 -0.247 0.000 1.073 688 A CA -0.569 51.397 52.037 -0.120 0.000 0.700 688 A CB 1.868 20.798 19.000 -0.116 0.000 1.296 688 A HN 0.786 nan 8.150 nan 0.000 0.405 689 L N 2.300 123.292 121.223 -0.384 0.000 2.356 689 L HA 0.596 4.936 4.340 -0.000 0.000 0.277 689 L C -1.052 175.530 176.870 -0.480 0.000 0.996 689 L CA -0.057 54.598 54.840 -0.309 0.000 0.822 689 L CB 1.361 43.344 42.059 -0.127 0.000 1.256 689 L HN 0.768 nan 8.230 nan 0.000 0.413 690 H N 4.318 123.406 119.070 0.030 0.000 2.538 690 H HA 0.691 5.246 4.556 -0.000 0.000 0.353 690 H C -1.169 174.185 175.328 0.043 0.000 1.109 690 H CA -0.765 55.308 56.048 0.041 0.000 1.192 690 H CB 2.289 32.073 29.762 0.036 0.000 1.555 690 H HN 0.314 nan 8.280 nan 0.000 0.518 691 V N 3.316 123.324 119.914 0.157 0.000 2.638 691 V HA 0.195 4.315 4.120 -0.000 0.000 0.306 691 V C -0.535 175.626 176.094 0.111 0.000 1.052 691 V CA -0.850 61.509 62.300 0.098 0.000 0.885 691 V CB 2.022 33.869 31.823 0.039 0.000 0.999 691 V HN 0.715 nan 8.190 nan 0.000 0.424 692 N N 3.285 122.040 118.700 0.092 0.000 2.321 692 N HA 0.494 5.233 4.740 -0.000 0.000 0.299 692 N C 0.061 175.611 175.510 0.066 0.000 1.048 692 N CA -0.527 52.581 53.050 0.097 0.000 0.836 692 N CB 1.003 39.555 38.487 0.108 0.000 1.269 692 N HN 0.688 nan 8.380 nan 0.000 0.486 693 N N 1.409 120.145 118.700 0.061 0.000 2.756 693 N HA -0.165 4.575 4.740 -0.000 0.000 0.248 693 N C 0.502 176.011 175.510 -0.001 0.000 1.062 693 N CA 0.026 53.113 53.050 0.062 0.000 0.696 693 N CB -0.777 37.791 38.487 0.135 0.000 0.946 693 N HN 0.644 nan 8.380 nan 0.000 0.548 694 L N 0.326 121.472 121.223 -0.127 0.000 2.030 694 L HA -0.155 4.185 4.340 -0.000 0.000 0.222 694 L C 1.085 177.866 176.870 -0.148 0.000 1.082 694 L CA 2.168 56.868 54.840 -0.233 0.000 0.785 694 L CB -0.745 41.007 42.059 -0.510 0.000 0.895 694 L HN 0.344 nan 8.230 nan 0.000 0.439 695 F N 0.884 120.874 119.950 0.066 0.000 2.859 695 F HA 0.157 4.684 4.527 -0.000 0.000 0.315 695 F C 0.967 176.802 175.800 0.058 0.000 1.207 695 F CA -0.890 57.143 58.000 0.056 0.000 1.370 695 F CB -1.974 37.059 39.000 0.054 0.000 1.314 695 F HN 0.129 nan 8.300 nan 0.000 0.555 696 D N 2.141 122.644 120.400 0.171 0.000 3.218 696 D HA -0.278 4.362 4.640 -0.000 0.000 0.196 696 D C 0.953 177.334 176.300 0.134 0.000 1.258 696 D CA 0.438 54.509 54.000 0.119 0.000 0.628 696 D CB -0.216 40.631 40.800 0.079 0.000 0.955 696 D HN 0.473 nan 8.370 nan 0.000 0.404 697 R N 0.716 121.327 120.500 0.186 0.000 2.707 697 R HA 0.185 4.525 4.340 -0.000 0.000 0.270 697 R C 0.039 176.454 176.300 0.193 0.000 1.083 697 R CA -0.056 56.163 56.100 0.197 0.000 1.182 697 R CB 0.609 31.038 30.300 0.215 0.000 1.084 697 R HN 0.177 nan 8.270 nan 0.000 0.528 698 E N 2.322 122.628 120.200 0.177 0.000 2.207 698 E HA 0.187 4.536 4.350 -0.000 0.000 0.250 698 E C -1.594 175.184 176.600 0.297 0.000 0.890 698 E CA -0.510 55.940 56.400 0.083 0.000 0.749 698 E CB 1.073 30.716 29.700 -0.095 0.000 1.193 698 E HN 0.427 nan 8.360 nan 0.000 0.423 699 Y N -0.922 119.427 120.300 0.082 0.000 2.634 699 Y HA 0.685 5.235 4.550 -0.000 0.000 0.340 699 Y C -0.778 175.269 175.900 0.244 0.000 1.058 699 Y CA -1.594 56.571 58.100 0.108 0.000 1.081 699 Y CB 0.616 38.920 38.460 -0.259 0.000 1.295 699 Y HN -0.008 nan 8.280 nan 0.000 0.487 700 V N 2.570 122.639 119.914 0.257 0.000 2.313 700 V HA 0.479 4.599 4.120 -0.000 0.000 0.278 700 V C 1.023 177.185 176.094 0.113 0.000 1.017 700 V CA -0.032 62.300 62.300 0.054 0.000 0.823 700 V CB 0.312 32.090 31.823 -0.075 0.000 1.010 700 V HN 1.164 nan 8.190 nan 0.000 0.443 701 A N 4.908 127.720 122.820 -0.013 0.000 1.896 701 A HA -0.035 4.284 4.320 -0.000 0.000 0.220 701 A C 1.082 178.842 177.584 0.294 0.000 1.206 701 A CA 2.108 54.232 52.037 0.145 0.000 0.647 701 A CB -0.183 18.878 19.000 0.101 0.000 0.828 701 A HN 1.420 nan 8.150 nan 0.000 0.455 702 S N -5.401 110.410 115.700 0.185 0.000 2.690 702 S HA 0.443 4.913 4.470 -0.000 0.000 0.264 702 S C -1.065 173.544 174.600 0.014 0.000 1.040 702 S CA -0.565 57.698 58.200 0.105 0.000 0.869 702 S CB 0.190 63.461 63.200 0.119 0.000 1.132 702 S HN 0.899 nan 8.310 nan 0.000 0.474 703 c N 1.311 119.849 118.600 -0.103 0.000 2.797 703 c HA 0.772 5.342 4.570 -0.000 0.000 0.306 703 c C 0.641 174.588 174.090 -0.239 0.000 1.207 703 c CA -0.758 55.410 56.329 -0.269 0.000 1.507 703 c CB 0.733 43.073 42.510 -0.284 0.000 2.028 703 c HN 1.024 nan 8.230 nan 0.000 0.475 704 F N 0.200 119.941 119.950 -0.348 0.000 2.682 704 F HA 0.500 5.027 4.527 -0.000 0.000 0.308 704 F C 0.289 175.805 175.800 -0.474 0.000 1.093 704 F CA 0.005 57.798 58.000 -0.345 0.000 1.244 704 F CB -0.061 38.759 39.000 -0.299 0.000 1.052 704 F HN 0.532 nan 8.300 nan 0.000 0.573 705 N N -0.654 117.212 118.700 -1.390 0.000 3.355 705 N HA 0.064 4.804 4.740 -0.000 0.000 0.238 705 N C 0.450 175.395 175.510 -0.941 0.000 1.466 705 N CA 0.510 52.800 53.050 -1.266 0.000 0.882 705 N CB 1.414 38.727 38.487 -1.957 0.000 1.406 705 N HN -0.084 nan 8.380 nan 0.000 0.500 706 T N -0.579 113.628 114.554 -0.578 0.000 2.897 706 T HA -0.137 4.213 4.350 -0.000 0.000 0.271 706 T C 1.312 175.793 174.700 -0.367 0.000 1.084 706 T CA 1.586 63.517 62.100 -0.281 0.000 1.123 706 T CB -0.494 68.299 68.868 -0.125 0.000 0.865 706 T HN 0.631 nan 8.240 nan 0.000 0.496 707 Y N 0.048 120.073 120.300 -0.458 0.000 2.507 707 Y HA 0.692 5.242 4.550 -0.000 0.000 0.254 707 Y C 0.959 176.583 175.900 -0.460 0.000 1.171 707 Y CA -1.543 56.324 58.100 -0.388 0.000 1.238 707 Y CB 0.034 38.252 38.460 -0.404 0.000 1.148 707 Y HN 0.103 nan 8.280 nan 0.000 0.525 708 G N 0.878 109.041 108.800 -1.062 0.000 3.764 708 G HA2 0.493 4.453 3.960 -0.000 0.000 0.333 708 G HA3 0.493 4.453 3.960 -0.000 0.000 0.333 708 G C -1.347 172.900 174.900 -1.089 0.000 1.551 708 G CA -0.359 44.042 45.100 -1.166 0.000 0.995 708 G HN 0.241 nan 8.290 nan 0.000 0.485 709 c N 0.803 118.835 118.600 -0.948 0.000 2.667 709 c HA 0.840 5.410 4.570 -0.000 0.000 0.323 709 c C -0.930 172.515 174.090 -1.076 0.000 1.214 709 c CA -0.760 55.059 56.329 -0.850 0.000 1.721 709 c CB 1.064 43.268 42.510 -0.511 0.000 2.275 709 c HN 0.587 nan 8.230 nan 0.000 0.491 710 F N -0.037 119.837 119.950 -0.127 0.000 2.539 710 F HA 0.356 4.883 4.527 -0.000 0.000 0.318 710 F C -0.258 175.490 175.800 -0.085 0.000 1.135 710 F CA -0.680 57.294 58.000 -0.043 0.000 0.915 710 F CB 0.635 39.657 39.000 0.038 0.000 1.176 710 F HN 0.632 nan 8.300 nan 0.000 0.440 711 W N 2.340 123.699 121.300 0.098 0.000 2.210 711 W HA 0.423 5.083 4.660 -0.000 0.000 0.330 711 W C 1.075 177.452 176.519 -0.236 0.000 1.334 711 W CA -0.341 56.951 57.345 -0.088 0.000 1.227 711 W CB 0.732 30.148 29.460 -0.073 0.000 1.178 711 W HN 0.737 nan 8.180 nan 0.000 0.560 712 G N 1.597 110.222 108.800 -0.291 0.000 2.716 712 G HA2 0.379 4.338 3.960 -0.000 0.000 0.251 712 G HA3 0.379 4.338 3.960 -0.000 0.000 0.251 712 G C -0.658 173.955 174.900 -0.478 0.000 1.224 712 G CA -0.633 43.914 45.100 -0.922 0.000 0.891 712 G HN 0.731 nan 8.290 nan 0.000 0.561 713 A N 0.160 122.782 122.820 -0.330 0.000 2.404 713 A HA 0.507 4.826 4.320 -0.000 0.000 0.273 713 A C 0.494 178.050 177.584 -0.046 0.000 1.144 713 A CA -0.376 51.601 52.037 -0.100 0.000 0.806 713 A CB -0.090 18.905 19.000 -0.007 0.000 1.080 713 A HN 0.740 nan 8.150 nan 0.000 0.509 714 E N 2.897 123.059 120.200 -0.062 0.000 2.290 714 E HA 0.310 4.660 4.350 -0.000 0.000 0.277 714 E C 0.281 176.884 176.600 0.006 0.000 1.035 714 E CA -0.747 55.631 56.400 -0.036 0.000 0.873 714 E CB 0.501 30.147 29.700 -0.090 0.000 1.029 714 E HN 0.628 nan 8.360 nan 0.000 0.419 715 R N 2.790 123.316 120.500 0.043 0.000 2.820 715 R HA -0.260 4.080 4.340 -0.000 0.000 0.244 715 R C -0.688 175.625 176.300 0.022 0.000 0.843 715 R CA 1.083 57.209 56.100 0.043 0.000 1.065 715 R CB 0.239 30.566 30.300 0.044 0.000 0.915 715 R HN 0.738 nan 8.270 nan 0.000 0.407 716 Q N 2.935 122.753 119.800 0.031 0.000 2.394 716 Q HA 0.524 4.863 4.340 -0.000 0.000 0.273 716 Q C -1.295 174.727 176.000 0.037 0.000 1.089 716 Q CA -1.080 54.736 55.803 0.022 0.000 0.812 716 Q CB 2.654 31.403 28.738 0.018 0.000 1.353 716 Q HN 0.568 nan 8.270 nan 0.000 0.438 717 V N -0.849 119.083 119.914 0.030 0.000 2.577 717 V HA 0.765 4.884 4.120 -0.000 0.000 0.303 717 V C -0.792 175.333 176.094 0.051 0.000 1.042 717 V CA -0.698 61.629 62.300 0.045 0.000 0.872 717 V CB 1.599 33.441 31.823 0.030 0.000 0.998 717 V HN 0.461 nan 8.190 nan 0.000 0.423 718 V N 3.650 123.621 119.914 0.094 0.000 2.604 718 V HA 0.890 5.010 4.120 -0.000 0.000 0.305 718 V C 0.445 176.618 176.094 0.131 0.000 1.043 718 V CA -0.119 62.247 62.300 0.110 0.000 0.888 718 V CB 2.026 33.926 31.823 0.129 0.000 0.995 718 V HN 1.335 nan 8.190 nan 0.000 0.429 719 A N 3.056 125.944 122.820 0.112 0.000 2.277 719 A HA 0.764 5.083 4.320 -0.000 0.000 0.318 719 A C 0.103 177.760 177.584 0.120 0.000 1.339 719 A CA -0.439 51.656 52.037 0.096 0.000 0.875 719 A CB 0.389 19.441 19.000 0.087 0.000 1.158 719 A HN 0.822 nan 8.150 nan 0.000 0.514 720 T N 0.759 115.386 114.554 0.122 0.000 2.823 720 T HA 0.750 5.100 4.350 -0.000 0.000 0.279 720 T C -0.186 174.543 174.700 0.049 0.000 0.998 720 T CA -0.259 61.906 62.100 0.107 0.000 0.994 720 T CB 1.802 70.756 68.868 0.142 0.000 0.960 720 T HN 1.204 nan 8.240 nan 0.000 0.448 721 A N 2.000 124.827 122.820 0.012 0.000 2.335 721 A HA 0.752 5.071 4.320 -0.000 0.000 0.304 721 A C -0.101 177.299 177.584 -0.306 0.000 1.118 721 A CA -0.802 51.153 52.037 -0.137 0.000 0.757 721 A CB 1.547 20.499 19.000 -0.079 0.000 1.188 721 A HN 0.802 nan 8.150 nan 0.000 0.460 722 T N 2.577 116.902 114.554 -0.382 0.000 2.841 722 T HA 0.674 5.024 4.350 -0.000 0.000 0.285 722 T C -1.351 173.169 174.700 -0.300 0.000 0.991 722 T CA -0.239 61.679 62.100 -0.303 0.000 0.966 722 T CB -0.129 68.694 68.868 -0.076 0.000 0.962 722 T HN 0.312 nan 8.240 nan 0.000 0.438 723 F N 3.567 123.662 119.950 0.242 0.000 2.458 723 F HA 0.700 5.227 4.527 -0.000 0.000 0.330 723 F C 0.798 176.815 175.800 0.361 0.000 1.082 723 F CA -1.257 56.913 58.000 0.283 0.000 0.995 723 F CB 1.259 40.520 39.000 0.436 0.000 1.170 723 F HN 0.201 nan 8.300 nan 0.000 0.478 724 R N 2.697 123.467 120.500 0.450 0.000 2.435 724 R HA 0.417 4.757 4.340 -0.000 0.000 0.308 724 R C -1.310 175.165 176.300 0.292 0.000 0.975 724 R CA -0.583 55.749 56.100 0.387 0.000 0.867 724 R CB 0.981 31.413 30.300 0.219 0.000 1.171 724 R HN 0.402 nan 8.270 nan 0.000 0.470 725 F N 0.000 120.029 119.950 0.131 0.000 2.286 725 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 725 F CA 0.000 58.037 58.000 0.062 0.000 1.383 725 F CB 0.000 39.016 39.000 0.027 0.000 1.145 725 F HN 0.000 nan 8.300 nan 0.000 0.574