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 3ed4_1_A DATA FIRST_RESID 42 DATA SEQUENCE QPNLVIIMAD DLGYGDLATY GHQIVKTPNI DRLAQEGVKF TDYYAPAPLS DATA SEQUENCE SPSRAGLLTG RMPFRTGIRS WIPSGKDVAL GRNELTIANL LKAQGYDTAM DATA SEQUENCE MGKLHLNAGG DRTDQPQAQD MGFDYSLANT AGFVTDATLD NAKERPRYGM DATA SEQUENCE VYPTGWLRNG QPTPRADKMS GEYVSSEVVN WLDNKKDSKP FFLYVAFTEV DATA SEQUENCE HSPLASPKKY LDMYSQYMSA YQKQHPDLFY GDWADKPWRG VGEYYANISY DATA SEQUENCE LDAQVGKVLD KIKAMGEEDN TIVIFTSDNG PVTREARKVY ELNLAGETDG DATA SEQUENCE LRGRKDNLWE GGIRVPAIIK YGKHLPQGMV SDTPVYGLDW MPTLAKMMNF DATA SEQUENCE KLPTDRTFDG ESLVPVLEQK ALKREKPLIF GIDMPFQDDP TDEWAIRDGD DATA SEQUENCE WKMIIDRNNK PKYLYNLKSD RYETLNLIGK KPDIEKQMYG KFLKYKTDID DATA SEQUENCE NDSLMKARGD KPEAVTWG 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 42 Q HA 0.000 nan 4.340 nan 0.000 0.214 42 Q C 0.000 176.021 176.000 0.034 0.000 1.003 42 Q CA 0.000 55.834 55.803 0.052 0.000 1.022 42 Q CB 0.000 28.738 28.738 0.001 0.000 1.108 43 P HA 0.140 nan 4.420 nan 0.000 0.275 43 P C -0.708 176.617 177.300 0.042 0.000 1.228 43 P CA -0.264 62.874 63.100 0.063 0.000 0.786 43 P CB 0.730 32.420 31.700 -0.017 0.000 0.927 44 N N 1.460 120.092 118.700 -0.113 0.000 2.444 44 N HA 0.244 4.984 4.740 -0.000 0.000 0.255 44 N C -0.312 175.142 175.510 -0.093 0.000 1.255 44 N CA -0.075 52.794 53.050 -0.302 0.000 0.933 44 N CB 0.264 38.148 38.487 -1.005 0.000 1.143 44 N HN 0.339 nan 8.380 nan 0.000 0.453 45 L N 0.865 122.112 121.223 0.041 0.000 2.410 45 L HA 0.466 4.806 4.340 -0.000 0.000 0.270 45 L C -1.360 175.723 176.870 0.356 0.000 0.983 45 L CA -0.688 54.242 54.840 0.151 0.000 0.822 45 L CB 1.835 43.939 42.059 0.074 0.000 1.285 45 L HN 0.216 nan 8.230 nan 0.000 0.409 46 V N 6.734 126.811 119.914 0.272 0.000 2.409 46 V HA 0.467 4.587 4.120 -0.000 0.000 0.290 46 V C -0.080 176.143 176.094 0.215 0.000 1.017 46 V CA -0.376 62.095 62.300 0.284 0.000 0.841 46 V CB 1.462 33.442 31.823 0.260 0.000 1.003 46 V HN 0.604 nan 8.190 nan 0.000 0.426 47 I N 6.095 126.829 120.570 0.274 0.000 2.307 47 I HA 0.433 4.603 4.170 -0.000 0.000 0.289 47 I C -0.337 175.851 176.117 0.118 0.000 1.021 47 I CA -0.205 61.213 61.300 0.197 0.000 1.224 47 I CB 1.205 39.398 38.000 0.322 0.000 1.376 47 I HN 0.445 nan 8.210 nan 0.000 0.470 48 I N 7.093 127.706 120.570 0.072 0.000 2.312 48 I HA 0.300 4.470 4.170 -0.000 0.000 0.290 48 I C -0.172 175.903 176.117 -0.071 0.000 1.008 48 I CA -0.411 60.924 61.300 0.060 0.000 1.226 48 I CB 1.347 39.539 38.000 0.320 0.000 1.371 48 I HN 0.545 nan 8.210 nan 0.000 0.468 49 M N 7.142 126.668 119.600 -0.124 0.000 2.072 49 M HA 0.585 5.065 4.480 -0.000 0.000 0.331 49 M C -0.255 176.008 176.300 -0.063 0.000 1.004 49 M CA -0.142 55.079 55.300 -0.131 0.000 0.952 49 M CB 1.118 33.686 32.600 -0.054 0.000 1.511 49 M HN 0.632 nan 8.290 nan 0.000 0.422 50 A N 2.925 125.666 122.820 -0.132 0.000 2.332 50 A HA 0.463 4.783 4.320 -0.000 0.000 0.258 50 A C -0.589 177.022 177.584 0.046 0.000 1.087 50 A CA -0.369 51.672 52.037 0.007 0.000 0.802 50 A CB 0.274 19.258 19.000 -0.027 0.000 1.042 50 A HN 0.747 nan 8.150 nan 0.000 0.489 51 D N 0.485 120.950 120.400 0.109 0.000 2.381 51 D HA 0.388 5.028 4.640 -0.000 0.000 0.235 51 D C -0.771 175.639 176.300 0.182 0.000 1.068 51 D CA 0.177 54.276 54.000 0.164 0.000 0.832 51 D CB 0.709 41.630 40.800 0.201 0.000 1.101 51 D HN 0.486 nan 8.370 nan 0.000 0.515 52 D N 1.585 122.096 120.400 0.184 0.000 2.945 52 D HA -0.225 4.415 4.640 -0.000 0.000 0.225 52 D C -0.119 176.281 176.300 0.167 0.000 1.158 52 D CA 0.346 54.448 54.000 0.169 0.000 0.805 52 D CB -1.305 39.578 40.800 0.139 0.000 1.098 52 D HN 0.303 nan 8.370 nan 0.000 0.426 53 L N 0.635 121.939 121.223 0.135 0.000 2.281 53 L HA 0.540 4.880 4.340 -0.000 0.000 0.285 53 L C 1.115 178.065 176.870 0.133 0.000 1.074 53 L CA 0.094 55.009 54.840 0.126 0.000 0.817 53 L CB 1.094 43.206 42.059 0.088 0.000 1.168 53 L HN 0.060 nan 8.230 nan 0.000 0.434 54 G N 2.983 111.885 108.800 0.170 0.000 2.537 54 G HA2 0.033 3.993 3.960 -0.000 0.000 0.273 54 G HA3 0.033 3.993 3.960 -0.000 0.000 0.273 54 G C 0.135 175.111 174.900 0.128 0.000 1.189 54 G CA -0.190 45.013 45.100 0.171 0.000 0.881 54 G HN 0.776 nan 8.290 nan 0.000 0.535 55 Y N 0.723 121.035 120.300 0.019 0.000 2.256 55 Y HA -0.055 4.495 4.550 0.000 0.000 0.288 55 Y C 2.337 178.253 175.900 0.026 0.000 1.155 55 Y CA 2.165 60.242 58.100 -0.038 0.000 1.203 55 Y CB 0.126 38.596 38.460 0.017 0.000 0.980 55 Y HN 0.438 nan 8.280 nan 0.000 0.530 56 G N -1.453 107.417 108.800 0.116 0.000 3.337 56 G HA2 0.010 3.970 3.960 -0.000 0.000 0.246 56 G HA3 0.010 3.970 3.960 -0.000 0.000 0.246 56 G C 0.602 175.627 174.900 0.209 0.000 1.131 56 G CA 0.157 45.321 45.100 0.107 0.000 0.773 56 G HN 0.228 nan 8.290 nan 0.000 0.544 57 D N 0.477 120.977 120.400 0.168 0.000 2.340 57 D HA 0.150 4.790 4.640 -0.000 0.000 0.220 57 D C 0.794 177.104 176.300 0.017 0.000 1.039 57 D CA 0.277 54.388 54.000 0.185 0.000 0.866 57 D CB 0.510 41.417 40.800 0.177 0.000 0.913 57 D HN 0.272 nan 8.370 nan 0.000 0.523 58 L N -0.537 120.717 121.223 0.051 0.000 2.342 58 L HA 0.493 4.833 4.340 -0.000 0.000 0.271 58 L C 1.429 178.359 176.870 0.100 0.000 1.008 58 L CA -0.906 53.957 54.840 0.039 0.000 0.818 58 L CB 1.894 44.008 42.059 0.091 0.000 1.296 58 L HN -0.272 nan 8.230 nan 0.000 0.427 59 A N 0.584 123.428 122.820 0.040 0.000 1.908 59 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 59 A C 2.082 179.698 177.584 0.053 0.000 1.181 59 A CA 2.534 54.603 52.037 0.053 0.000 0.627 59 A CB -0.613 18.397 19.000 0.017 0.000 0.818 59 A HN 0.837 nan 8.150 nan 0.000 0.445 60 T N -2.455 112.131 114.554 0.054 0.000 3.007 60 T HA -0.073 4.277 4.350 -0.000 0.000 0.270 60 T C 0.759 175.402 174.700 -0.095 0.000 1.107 60 T CA 1.018 63.112 62.100 -0.009 0.000 1.118 60 T CB -0.384 68.475 68.868 -0.016 0.000 0.889 60 T HN 0.517 nan 8.240 nan 0.000 0.506 61 Y N 0.059 120.313 120.300 -0.077 0.000 2.571 61 Y HA 0.442 4.992 4.550 -0.000 0.000 0.275 61 Y C 1.686 177.521 175.900 -0.109 0.000 1.179 61 Y CA -0.264 57.742 58.100 -0.156 0.000 1.242 61 Y CB 0.281 38.570 38.460 -0.285 0.000 1.126 61 Y HN 0.274 nan 8.280 nan 0.000 0.524 62 G N -0.906 107.927 108.800 0.056 0.000 2.176 62 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.232 62 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.232 62 G C 0.102 175.031 174.900 0.047 0.000 0.986 62 G CA -0.255 44.868 45.100 0.037 0.000 0.643 62 G HN 0.433 nan 8.290 nan 0.000 0.522 63 H N 1.133 120.195 119.070 -0.015 0.000 3.004 63 H HA 0.255 4.811 4.556 0.000 0.000 0.316 63 H C 1.435 176.716 175.328 -0.078 0.000 1.014 63 H CA 1.020 57.032 56.048 -0.060 0.000 1.454 63 H CB 0.734 30.437 29.762 -0.097 0.000 1.472 63 H HN 0.443 nan 8.280 nan 0.000 0.571 64 Q N 3.887 123.626 119.800 -0.103 0.000 2.403 64 Q HA 0.133 4.473 4.340 -0.000 0.000 0.203 64 Q C 1.191 177.203 176.000 0.020 0.000 0.932 64 Q CA 0.578 56.363 55.803 -0.030 0.000 0.945 64 Q CB 0.769 29.468 28.738 -0.064 0.000 1.045 64 Q HN 0.692 nan 8.270 nan 0.000 0.511 65 I N -2.196 118.417 120.570 0.071 0.000 3.873 65 I HA 0.071 4.241 4.170 -0.000 0.000 0.284 65 I C 0.413 176.524 176.117 -0.009 0.000 1.186 65 I CA -0.155 61.130 61.300 -0.025 0.000 1.362 65 I CB 0.619 38.406 38.000 -0.354 0.000 1.432 65 I HN -0.131 nan 8.210 nan 0.000 0.454 66 V N 3.596 123.375 119.914 -0.224 0.000 2.740 66 V HA 0.073 4.193 4.120 -0.000 0.000 0.303 66 V C -0.116 175.969 176.094 -0.016 0.000 1.054 66 V CA 0.126 62.247 62.300 -0.299 0.000 1.106 66 V CB 0.618 31.955 31.823 -0.810 0.000 0.957 66 V HN 0.104 nan 8.190 nan 0.000 0.486 67 K N 4.397 124.881 120.400 0.141 0.000 2.281 67 K HA 0.365 4.685 4.320 -0.000 0.000 0.272 67 K C 0.059 176.690 176.600 0.051 0.000 1.048 67 K CA -0.131 56.214 56.287 0.096 0.000 0.898 67 K CB 1.126 33.695 32.500 0.116 0.000 1.128 67 K HN 0.840 nan 8.250 nan 0.000 0.460 68 T N -0.359 114.193 114.554 -0.003 0.000 3.514 68 T HA 0.223 4.573 4.350 -0.000 0.000 0.259 68 T C -1.622 173.052 174.700 -0.044 0.000 1.466 68 T CA -1.474 60.601 62.100 -0.041 0.000 1.562 68 T CB 0.840 69.660 68.868 -0.080 0.000 0.924 68 T HN 0.145 nan 8.240 nan 0.000 0.678 69 P HA -0.110 nan 4.420 nan 0.000 0.216 69 P C 1.225 178.499 177.300 -0.044 0.000 1.150 69 P CA 1.056 64.143 63.100 -0.022 0.000 0.837 69 P CB 0.230 31.929 31.700 -0.002 0.000 0.786 70 N N 0.028 118.690 118.700 -0.063 0.000 2.171 70 N HA -0.041 4.699 4.740 -0.000 0.000 0.184 70 N C 2.051 177.483 175.510 -0.130 0.000 1.021 70 N CA 1.042 54.042 53.050 -0.083 0.000 0.854 70 N CB -0.446 37.989 38.487 -0.088 0.000 0.994 70 N HN 0.232 nan 8.380 nan 0.000 0.426 71 I N 1.343 121.795 120.570 -0.198 0.000 2.353 71 I HA -0.180 3.990 4.170 -0.000 0.000 0.248 71 I C 1.537 177.564 176.117 -0.149 0.000 1.119 71 I CA 0.864 61.991 61.300 -0.288 0.000 1.417 71 I CB -0.161 37.557 38.000 -0.470 0.000 1.078 71 I HN -0.084 nan 8.210 nan 0.000 0.421 72 D N 0.756 121.101 120.400 -0.092 0.000 2.104 72 D HA -0.214 4.426 4.640 -0.000 0.000 0.194 72 D C 2.196 178.469 176.300 -0.045 0.000 0.994 72 D CA 1.172 55.142 54.000 -0.050 0.000 0.830 72 D CB -0.286 40.493 40.800 -0.035 0.000 0.959 72 D HN 0.190 nan 8.370 nan 0.000 0.452 73 R N 0.071 120.544 120.500 -0.045 0.000 2.091 73 R HA -0.132 4.208 4.340 -0.000 0.000 0.238 73 R C 2.261 178.544 176.300 -0.029 0.000 1.136 73 R CA 0.805 56.885 56.100 -0.032 0.000 0.959 73 R CB -0.450 29.834 30.300 -0.027 0.000 0.856 73 R HN 0.129 nan 8.270 nan 0.000 0.437 74 L N 0.603 121.801 121.223 -0.043 0.000 2.042 74 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 74 L C 2.251 179.120 176.870 -0.001 0.000 1.076 74 L CA 2.255 57.081 54.840 -0.023 0.000 0.749 74 L CB -0.685 41.340 42.059 -0.056 0.000 0.893 74 L HN 0.276 nan 8.230 nan 0.000 0.432 75 A N -1.412 121.402 122.820 -0.011 0.000 1.933 75 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 75 A C 2.152 179.723 177.584 -0.022 0.000 1.175 75 A CA 1.570 53.604 52.037 -0.005 0.000 0.628 75 A CB -0.535 18.456 19.000 -0.016 0.000 0.814 75 A HN 0.596 nan 8.150 nan 0.000 0.444 76 Q N -0.243 119.542 119.800 -0.025 0.000 2.224 76 Q HA -0.115 4.225 4.340 -0.000 0.000 0.203 76 Q C 1.173 177.163 176.000 -0.017 0.000 0.970 76 Q CA 1.386 57.174 55.803 -0.026 0.000 0.865 76 Q CB -0.216 28.507 28.738 -0.024 0.000 0.922 76 Q HN 0.822 nan 8.270 nan 0.000 0.445 77 E N -0.415 119.781 120.200 -0.008 0.000 2.479 77 E HA 0.196 4.546 4.350 -0.000 0.000 0.193 77 E C 0.564 177.172 176.600 0.014 0.000 1.049 77 E CA 0.069 56.469 56.400 0.000 0.000 0.870 77 E CB 0.680 30.384 29.700 0.006 0.000 0.944 77 E HN 0.221 nan 8.360 nan 0.000 0.492 78 G N -0.245 108.564 108.800 0.014 0.000 2.947 78 G HA2 0.422 4.382 3.960 -0.000 0.000 0.293 78 G HA3 0.422 4.382 3.960 -0.000 0.000 0.293 78 G C -1.255 173.642 174.900 -0.005 0.000 1.243 78 G CA -0.518 44.602 45.100 0.032 0.000 0.802 78 G HN -0.044 nan 8.290 nan 0.000 0.560 79 V N 0.963 120.869 119.914 -0.013 0.000 2.417 79 V HA 0.537 4.657 4.120 -0.000 0.000 0.291 79 V C -0.097 175.865 176.094 -0.220 0.000 1.024 79 V CA -0.687 61.522 62.300 -0.151 0.000 0.861 79 V CB 1.340 33.044 31.823 -0.198 0.000 0.985 79 V HN 0.682 nan 8.190 nan 0.000 0.436 80 K N 4.300 124.547 120.400 -0.255 0.000 2.206 80 K HA 0.588 4.908 4.320 -0.000 0.000 0.264 80 K C -1.535 174.928 176.600 -0.229 0.000 0.967 80 K CA -0.506 55.699 56.287 -0.137 0.000 0.844 80 K CB 1.001 33.434 32.500 -0.111 0.000 1.099 80 K HN 0.444 nan 8.250 nan 0.000 0.441 81 F N 2.200 122.289 119.950 0.231 0.000 2.415 81 F HA 0.171 4.698 4.527 -0.000 0.000 0.348 81 F C 1.475 177.480 175.800 0.341 0.000 1.119 81 F CA -0.549 57.610 58.000 0.265 0.000 1.069 81 F CB 1.964 41.159 39.000 0.325 0.000 1.124 81 F HN 0.658 nan 8.300 nan 0.000 0.472 82 T N -3.161 111.637 114.554 0.406 0.000 3.060 82 T HA 0.128 4.478 4.350 -0.000 0.000 0.249 82 T C 0.200 175.140 174.700 0.401 0.000 1.079 82 T CA 0.221 62.587 62.100 0.443 0.000 1.013 82 T CB -0.270 68.744 68.868 0.243 0.000 0.975 82 T HN 0.427 nan 8.240 nan 0.000 0.518 83 D N 0.694 121.277 120.400 0.306 0.000 2.945 83 D HA 0.259 4.899 4.640 -0.000 0.000 0.366 83 D C -1.252 175.086 176.300 0.063 0.000 1.352 83 D CA -0.552 53.500 54.000 0.087 0.000 0.810 83 D CB 0.177 41.069 40.800 0.154 0.000 1.170 83 D HN 0.482 nan 8.370 nan 0.000 0.461 84 Y N 0.776 121.058 120.300 -0.029 0.000 2.323 84 Y HA 0.487 5.037 4.550 0.000 0.000 0.331 84 Y C -1.219 174.559 175.900 -0.203 0.000 1.092 84 Y CA -0.655 57.444 58.100 -0.001 0.000 1.150 84 Y CB 0.507 39.052 38.460 0.142 0.000 1.200 84 Y HN -0.035 nan 8.280 nan 0.000 0.472 85 Y N 3.789 123.761 120.300 -0.547 0.000 2.446 85 Y HA 0.681 5.231 4.550 0.000 0.000 0.345 85 Y C 0.239 175.910 175.900 -0.382 0.000 0.984 85 Y CA -1.111 56.823 58.100 -0.277 0.000 1.058 85 Y CB 1.573 40.036 38.460 0.005 0.000 1.220 85 Y HN 0.815 nan 8.280 nan 0.000 0.455 86 A N 3.468 126.362 122.820 0.123 0.000 2.425 86 A HA 0.264 4.584 4.320 -0.000 0.000 0.242 86 A C -1.850 175.924 177.584 0.317 0.000 1.077 86 A CA -1.143 51.019 52.037 0.207 0.000 0.781 86 A CB -0.033 19.098 19.000 0.219 0.000 1.020 86 A HN 0.653 nan 8.150 nan 0.000 0.494 87 P HA 0.100 nan 4.420 nan 0.000 0.225 87 P C 0.066 177.496 177.300 0.217 0.000 1.148 87 P CA 1.828 65.034 63.100 0.177 0.000 0.779 87 P CB 0.196 31.885 31.700 -0.019 0.000 0.780 88 A N -1.361 121.567 122.820 0.179 0.000 2.604 88 A HA 0.532 4.852 4.320 -0.000 0.000 0.295 88 A C -2.729 174.910 177.584 0.092 0.000 1.067 88 A CA -1.108 50.992 52.037 0.105 0.000 0.683 88 A CB 0.670 19.697 19.000 0.045 0.000 1.281 88 A HN -0.245 nan 8.150 nan 0.000 0.407 89 P HA 0.331 nan 4.420 nan 0.000 0.249 89 P C -0.604 176.740 177.300 0.074 0.000 1.544 89 P CA 0.375 63.507 63.100 0.053 0.000 0.932 89 P CB -0.127 31.579 31.700 0.011 0.000 1.524 90 L N -1.249 120.027 121.223 0.089 0.000 2.469 90 L HA 0.262 4.602 4.340 -0.000 0.000 0.256 90 L C 1.403 178.366 176.870 0.154 0.000 1.006 90 L CA -0.556 54.361 54.840 0.127 0.000 0.832 90 L CB 2.158 44.268 42.059 0.086 0.000 1.421 90 L HN -0.295 nan 8.230 nan 0.000 0.410 91 S N 0.063 115.899 115.700 0.226 0.000 2.365 91 S HA -0.182 4.288 4.470 -0.000 0.000 0.221 91 S C 1.793 176.482 174.600 0.149 0.000 1.037 91 S CA 2.060 60.412 58.200 0.252 0.000 1.060 91 S CB -0.107 63.353 63.200 0.434 0.000 0.974 91 S HN 0.735 nan 8.310 nan 0.000 0.427 92 S N 2.327 118.042 115.700 0.024 0.000 2.353 92 S HA -0.064 4.406 4.470 -0.000 0.000 0.222 92 S C -0.530 174.069 174.600 -0.003 0.000 1.035 92 S CA 1.629 59.758 58.200 -0.118 0.000 1.025 92 S CB -1.491 61.511 63.200 -0.329 0.000 0.902 92 S HN 0.489 nan 8.310 nan 0.000 0.440 93 P HA -0.042 nan 4.420 nan 0.000 0.218 93 P C 1.619 178.956 177.300 0.061 0.000 1.149 93 P CA 1.180 64.314 63.100 0.056 0.000 0.817 93 P CB -0.173 31.574 31.700 0.080 0.000 0.785 94 S N -0.088 115.661 115.700 0.083 0.000 2.356 94 S HA -0.165 4.305 4.470 -0.000 0.000 0.223 94 S C 2.142 176.812 174.600 0.117 0.000 1.032 94 S CA 1.219 59.484 58.200 0.108 0.000 1.005 94 S CB -0.576 62.709 63.200 0.142 0.000 0.867 94 S HN -0.002 nan 8.310 nan 0.000 0.449 95 R N 0.726 121.299 120.500 0.123 0.000 2.081 95 R HA 0.035 4.375 4.340 -0.000 0.000 0.235 95 R C 2.677 179.028 176.300 0.086 0.000 1.131 95 R CA 1.339 57.520 56.100 0.134 0.000 0.960 95 R CB -0.634 29.761 30.300 0.159 0.000 0.856 95 R HN 0.508 nan 8.270 nan 0.000 0.436 96 A N 0.648 123.504 122.820 0.060 0.000 1.877 96 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 96 A C 2.406 180.010 177.584 0.034 0.000 1.186 96 A CA 1.820 53.880 52.037 0.040 0.000 0.620 96 A CB -1.341 17.679 19.000 0.033 0.000 0.822 96 A HN 0.471 nan 8.150 nan 0.000 0.443 97 G N -0.183 108.635 108.800 0.030 0.000 2.459 97 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 97 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 97 G C 1.625 176.536 174.900 0.019 0.000 1.183 97 G CA 1.170 46.269 45.100 -0.002 0.000 0.776 97 G HN 0.548 nan 8.290 nan 0.000 0.552 98 L N -0.164 121.103 121.223 0.074 0.000 2.046 98 L HA 0.106 4.446 4.340 -0.000 0.000 0.208 98 L C 2.697 179.635 176.870 0.113 0.000 1.077 98 L CA 1.054 55.983 54.840 0.148 0.000 0.747 98 L CB -0.119 42.083 42.059 0.239 0.000 0.896 98 L HN 0.202 nan 8.230 nan 0.000 0.432 99 L N -0.803 120.452 121.223 0.052 0.000 2.291 99 L HA -0.099 4.241 4.340 -0.000 0.000 0.214 99 L C 2.349 179.235 176.870 0.026 0.000 1.120 99 L CA 1.424 56.265 54.840 0.002 0.000 0.799 99 L CB -0.528 41.500 42.059 -0.051 0.000 0.925 99 L HN 0.494 nan 8.230 nan 0.000 0.446 100 T N -5.152 109.433 114.554 0.051 0.000 3.015 100 T HA 0.207 4.557 4.350 -0.000 0.000 0.250 100 T C 1.497 176.308 174.700 0.186 0.000 1.057 100 T CA 0.479 62.629 62.100 0.083 0.000 1.066 100 T CB 0.614 69.501 68.868 0.031 0.000 0.959 100 T HN 0.331 nan 8.240 nan 0.000 0.488 101 G N 1.638 110.525 108.800 0.145 0.000 2.153 101 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.252 101 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.252 101 G C -0.004 174.984 174.900 0.147 0.000 0.994 101 G CA 0.028 45.242 45.100 0.190 0.000 0.698 101 G HN 0.723 nan 8.290 nan 0.000 0.521 102 R N -0.603 119.913 120.500 0.027 0.000 2.575 102 R HA 0.495 4.835 4.340 -0.000 0.000 0.293 102 R C 0.570 176.835 176.300 -0.058 0.000 0.983 102 R CA -1.086 54.993 56.100 -0.036 0.000 0.887 102 R CB 1.119 31.365 30.300 -0.091 0.000 1.184 102 R HN 0.214 nan 8.270 nan 0.000 0.445 103 M N 5.873 125.428 119.600 -0.075 0.000 2.336 103 M HA -0.004 4.476 4.480 -0.000 0.000 0.371 103 M C -1.471 174.793 176.300 -0.061 0.000 1.542 103 M CA -0.840 54.387 55.300 -0.123 0.000 0.959 103 M CB 0.620 33.129 32.600 -0.152 0.000 2.033 103 M HN 0.448 nan 8.290 nan 0.000 0.472 104 P HA -0.201 nan 4.420 nan 0.000 0.217 104 P C 1.217 178.648 177.300 0.218 0.000 1.148 104 P CA 1.627 64.767 63.100 0.067 0.000 0.828 104 P CB -0.293 31.452 31.700 0.075 0.000 0.783 105 F N 0.742 120.653 119.950 -0.065 0.000 2.161 105 F HA -0.127 4.400 4.527 0.000 0.000 0.300 105 F C 2.478 178.275 175.800 -0.005 0.000 1.089 105 F CA 0.645 58.618 58.000 -0.046 0.000 1.282 105 F CB -1.558 37.413 39.000 -0.049 0.000 1.010 105 F HN -0.056 nan 8.300 nan 0.000 0.485 106 R N -0.469 120.145 120.500 0.190 0.000 2.127 106 R HA -0.140 4.200 4.340 -0.000 0.000 0.238 106 R C 1.994 178.324 176.300 0.050 0.000 1.134 106 R CA 1.829 57.983 56.100 0.090 0.000 0.975 106 R CB -0.861 29.458 30.300 0.032 0.000 0.865 106 R HN 0.405 nan 8.270 nan 0.000 0.447 107 T N -3.655 110.931 114.554 0.054 0.000 3.107 107 T HA 0.220 4.570 4.350 -0.000 0.000 0.249 107 T C 1.294 176.015 174.700 0.034 0.000 1.096 107 T CA 0.530 62.647 62.100 0.028 0.000 1.012 107 T CB 0.887 69.767 68.868 0.020 0.000 0.977 107 T HN 0.394 nan 8.240 nan 0.000 0.527 108 G N 1.224 110.054 108.800 0.049 0.000 2.176 108 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.232 108 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.232 108 G C -0.058 174.869 174.900 0.044 0.000 0.986 108 G CA -0.057 45.066 45.100 0.039 0.000 0.643 108 G HN 0.634 nan 8.290 nan 0.000 0.522 109 I N 0.626 121.230 120.570 0.056 0.000 2.354 109 I HA 0.457 4.627 4.170 -0.000 0.000 0.286 109 I C 1.207 177.362 176.117 0.063 0.000 1.007 109 I CA -0.800 60.534 61.300 0.056 0.000 1.167 109 I CB 1.502 39.528 38.000 0.043 0.000 1.320 109 I HN 0.045 nan 8.210 nan 0.000 0.458 110 R N 3.004 123.481 120.500 -0.039 0.000 2.373 110 R HA 0.239 4.579 4.340 -0.000 0.000 0.221 110 R C 0.513 176.721 176.300 -0.154 0.000 0.893 110 R CA 0.212 56.187 56.100 -0.207 0.000 1.049 110 R CB 0.611 30.495 30.300 -0.694 0.000 1.119 110 R HN 0.793 nan 8.270 nan 0.000 0.535 111 S N -0.874 114.743 115.700 -0.139 0.000 4.107 111 S HA 0.094 4.564 4.470 -0.000 0.000 0.275 111 S C -1.306 173.277 174.600 -0.029 0.000 1.010 111 S CA -1.017 57.038 58.200 -0.242 0.000 1.267 111 S CB -0.322 62.438 63.200 -0.734 0.000 1.820 111 S HN 0.294 nan 8.310 nan 0.000 0.449 112 W N 2.089 123.490 121.300 0.169 0.000 2.170 112 W HA 0.660 5.320 4.660 0.000 0.000 0.342 112 W C -0.379 176.281 176.519 0.235 0.000 1.294 112 W CA -1.341 56.135 57.345 0.219 0.000 1.246 112 W CB -0.619 29.006 29.460 0.275 0.000 1.156 112 W HN 0.484 nan 8.180 nan 0.000 0.572 113 I N 5.297 126.120 120.570 0.422 0.000 2.330 113 I HA 0.189 4.359 4.170 -0.000 0.000 0.286 113 I C -1.631 174.608 176.117 0.203 0.000 1.025 113 I CA -2.088 59.361 61.300 0.247 0.000 1.197 113 I CB 0.814 38.863 38.000 0.081 0.000 1.358 113 I HN 0.189 nan 8.210 nan 0.000 0.467 114 P HA 0.205 nan 4.420 nan 0.000 0.279 114 P C -0.348 176.918 177.300 -0.056 0.000 1.239 114 P CA -0.371 62.718 63.100 -0.018 0.000 0.789 114 P CB 1.067 32.677 31.700 -0.150 0.000 0.933 115 S N 1.034 116.720 115.700 -0.024 0.000 2.552 115 S HA 0.323 4.793 4.470 -0.000 0.000 0.289 115 S C 1.585 176.148 174.600 -0.062 0.000 1.304 115 S CA 1.131 59.312 58.200 -0.031 0.000 1.063 115 S CB -0.347 62.847 63.200 -0.011 0.000 0.848 115 S HN 0.929 nan 8.310 nan 0.000 0.499 116 G N 2.156 110.919 108.800 -0.061 0.000 2.205 116 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.261 116 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.261 116 G C 0.193 175.035 174.900 -0.097 0.000 0.980 116 G CA 0.273 45.333 45.100 -0.067 0.000 0.632 116 G HN 0.524 nan 8.290 nan 0.000 0.533 117 K N 0.385 120.698 120.400 -0.146 0.000 2.419 117 K HA 0.504 4.824 4.320 -0.000 0.000 0.246 117 K C 0.313 176.804 176.600 -0.182 0.000 1.037 117 K CA -0.654 55.507 56.287 -0.211 0.000 0.982 117 K CB 0.261 32.527 32.500 -0.390 0.000 1.283 117 K HN 0.022 nan 8.250 nan 0.000 0.500 118 D N 0.659 120.935 120.400 -0.207 0.000 2.427 118 D HA 0.076 4.716 4.640 -0.000 0.000 0.224 118 D C -0.371 175.853 176.300 -0.127 0.000 1.157 118 D CA 0.071 53.991 54.000 -0.134 0.000 0.828 118 D CB 0.261 41.003 40.800 -0.097 0.000 0.974 118 D HN -0.008 nan 8.370 nan 0.000 0.498 119 V N 1.107 120.919 119.914 -0.169 0.000 2.406 119 V HA 0.678 4.798 4.120 -0.000 0.000 0.272 119 V C 0.438 176.505 176.094 -0.046 0.000 1.043 119 V CA -0.367 61.874 62.300 -0.098 0.000 0.915 119 V CB 1.013 32.769 31.823 -0.112 0.000 0.988 119 V HN 0.209 nan 8.190 nan 0.000 0.466 120 A N 4.292 127.101 122.820 -0.019 0.000 2.599 120 A HA 0.753 5.073 4.320 -0.000 0.000 0.290 120 A C -1.079 176.505 177.584 0.001 0.000 1.101 120 A CA -0.851 51.180 52.037 -0.010 0.000 0.674 120 A CB 0.987 19.978 19.000 -0.015 0.000 1.277 120 A HN 0.732 nan 8.150 nan 0.000 0.419 121 L N 1.481 122.706 121.223 0.003 0.000 2.525 121 L HA 0.430 4.770 4.340 -0.000 0.000 0.278 121 L C 1.181 178.053 176.870 0.003 0.000 1.218 121 L CA 1.339 56.184 54.840 0.007 0.000 0.878 121 L CB 0.292 42.358 42.059 0.011 0.000 1.127 121 L HN 1.049 nan 8.230 nan 0.000 0.492 122 G N 4.476 113.278 108.800 0.003 0.000 2.353 122 G HA2 0.073 4.033 3.960 -0.000 0.000 0.239 122 G HA3 0.073 4.033 3.960 -0.000 0.000 0.239 122 G C 0.795 175.691 174.900 -0.006 0.000 1.295 122 G CA -0.061 45.038 45.100 -0.002 0.000 0.884 122 G HN 0.926 nan 8.290 nan 0.000 0.537 123 R N 1.716 122.212 120.500 -0.007 0.000 2.120 123 R HA -0.130 4.210 4.340 -0.000 0.000 0.234 123 R C 1.472 177.766 176.300 -0.011 0.000 1.123 123 R CA 1.479 57.575 56.100 -0.008 0.000 0.975 123 R CB -0.241 30.054 30.300 -0.008 0.000 0.866 123 R HN 0.585 nan 8.270 nan 0.000 0.446 124 N N 1.154 119.846 118.700 -0.014 0.000 2.322 124 N HA -0.030 4.710 4.740 -0.000 0.000 0.194 124 N C -0.410 175.086 175.510 -0.024 0.000 1.126 124 N CA 0.152 53.192 53.050 -0.018 0.000 0.845 124 N CB 0.069 38.545 38.487 -0.018 0.000 0.976 124 N HN 0.158 nan 8.380 nan 0.000 0.475 125 E N 0.808 120.994 120.200 -0.023 0.000 2.373 125 E HA 0.200 4.550 4.350 -0.000 0.000 0.267 125 E C -0.187 176.399 176.600 -0.022 0.000 1.032 125 E CA -0.190 56.194 56.400 -0.028 0.000 0.889 125 E CB 1.550 31.238 29.700 -0.021 0.000 0.984 125 E HN 0.273 nan 8.360 nan 0.000 0.425 126 L N 1.783 122.996 121.223 -0.016 0.000 2.322 126 L HA 0.321 4.661 4.340 -0.000 0.000 0.281 126 L C 0.735 177.598 176.870 -0.012 0.000 1.014 126 L CA -0.692 54.139 54.840 -0.016 0.000 0.815 126 L CB 1.789 43.852 42.059 0.006 0.000 1.247 126 L HN 0.557 nan 8.230 nan 0.000 0.421 127 T N -1.455 113.061 114.554 -0.062 0.000 2.923 127 T HA 0.463 4.813 4.350 -0.000 0.000 0.281 127 T C 1.347 175.959 174.700 -0.148 0.000 0.995 127 T CA -0.715 61.336 62.100 -0.081 0.000 0.985 127 T CB 1.086 69.890 68.868 -0.106 0.000 1.114 127 T HN 0.427 nan 8.240 nan 0.000 0.548 128 I N 0.922 121.388 120.570 -0.174 0.000 2.248 128 I HA -0.182 3.988 4.170 -0.000 0.000 0.248 128 I C 3.018 178.849 176.117 -0.477 0.000 1.107 128 I CA 1.785 62.882 61.300 -0.339 0.000 1.373 128 I CB -0.882 36.869 38.000 -0.415 0.000 1.055 128 I HN 0.854 nan 8.210 nan 0.000 0.418 129 A N 1.155 123.770 122.820 -0.342 0.000 1.877 129 A HA -0.256 4.064 4.320 -0.000 0.000 0.216 129 A C 2.044 179.426 177.584 -0.337 0.000 1.186 129 A CA 2.362 54.187 52.037 -0.354 0.000 0.620 129 A CB -1.093 17.303 19.000 -1.007 0.000 0.822 129 A HN 0.494 nan 8.150 nan 0.000 0.443 130 N N -0.024 118.495 118.700 -0.301 0.000 2.061 130 N HA -0.165 4.575 4.740 -0.000 0.000 0.193 130 N C 1.600 176.976 175.510 -0.223 0.000 1.030 130 N CA 1.768 54.693 53.050 -0.207 0.000 0.856 130 N CB -0.358 38.041 38.487 -0.146 0.000 1.023 130 N HN 0.464 nan 8.380 nan 0.000 0.424 131 L N 0.354 121.393 121.223 -0.306 0.000 2.093 131 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 131 L C 2.013 178.541 176.870 -0.570 0.000 1.085 131 L CA 0.756 55.347 54.840 -0.416 0.000 0.755 131 L CB -0.318 41.434 42.059 -0.512 0.000 0.904 131 L HN 0.252 nan 8.230 nan 0.000 0.435 132 L N -0.466 120.379 121.223 -0.629 0.000 2.179 132 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 132 L C 2.617 179.353 176.870 -0.223 0.000 1.096 132 L CA 0.853 55.292 54.840 -0.667 0.000 0.779 132 L CB -0.330 41.207 42.059 -0.870 0.000 0.922 132 L HN 0.224 nan 8.230 nan 0.000 0.443 133 K N 0.620 120.942 120.400 -0.130 0.000 2.032 133 K HA -0.190 4.130 4.320 -0.000 0.000 0.209 133 K C 2.036 178.633 176.600 -0.005 0.000 1.048 133 K CA 1.504 57.788 56.287 -0.005 0.000 0.927 133 K CB -0.111 32.370 32.500 -0.033 0.000 0.712 133 K HN 0.270 nan 8.250 nan 0.000 0.441 134 A N 0.517 123.295 122.820 -0.069 0.000 2.178 134 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 134 A C 1.602 179.173 177.584 -0.022 0.000 1.157 134 A CA 1.096 53.104 52.037 -0.047 0.000 0.689 134 A CB -0.127 18.829 19.000 -0.073 0.000 0.787 134 A HN 0.324 nan 8.150 nan 0.000 0.465 135 Q N -1.550 118.239 119.800 -0.018 0.000 2.319 135 Q HA 0.198 4.538 4.340 -0.000 0.000 0.202 135 Q C 0.979 177.087 176.000 0.179 0.000 0.896 135 Q CA 0.746 56.594 55.803 0.076 0.000 0.942 135 Q CB 0.392 29.160 28.738 0.050 0.000 1.083 135 Q HN 0.979 nan 8.270 nan 0.000 0.510 136 G N 0.685 109.584 108.800 0.166 0.000 2.167 136 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.194 136 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.194 136 G C -0.654 174.338 174.900 0.154 0.000 1.027 136 G CA -0.458 44.720 45.100 0.130 0.000 0.717 136 G HN 0.177 nan 8.290 nan 0.000 0.501 137 Y N 0.819 121.143 120.300 0.039 0.000 2.310 137 Y HA 0.460 5.010 4.550 0.000 0.000 0.326 137 Y C 0.630 176.632 175.900 0.169 0.000 1.151 137 Y CA -1.060 57.100 58.100 0.101 0.000 1.195 137 Y CB 0.987 39.500 38.460 0.087 0.000 1.210 137 Y HN 0.071 nan 8.280 nan 0.000 0.483 138 D N 1.908 122.517 120.400 0.349 0.000 2.342 138 D HA 0.082 4.722 4.640 -0.000 0.000 0.260 138 D C -0.068 176.561 176.300 0.549 0.000 1.278 138 D CA 0.159 54.421 54.000 0.436 0.000 0.910 138 D CB 0.317 41.386 40.800 0.448 0.000 1.079 138 D HN 0.515 nan 8.370 nan 0.000 0.496 139 T N -0.505 114.293 114.554 0.406 0.000 2.829 139 T HA 0.791 5.141 4.350 -0.000 0.000 0.282 139 T C -0.275 174.517 174.700 0.152 0.000 0.990 139 T CA -0.936 61.340 62.100 0.293 0.000 1.028 139 T CB 2.008 71.003 68.868 0.211 0.000 0.951 139 T HN 0.247 nan 8.240 nan 0.000 0.460 140 A N 3.454 126.216 122.820 -0.096 0.000 2.520 140 A HA 0.751 5.071 4.320 -0.000 0.000 0.298 140 A C -0.649 176.686 177.584 -0.415 0.000 1.051 140 A CA -1.207 50.605 52.037 -0.375 0.000 0.690 140 A CB 1.596 19.763 19.000 -1.389 0.000 1.281 140 A HN 1.243 nan 8.150 nan 0.000 0.402 141 M N 0.902 120.176 119.600 -0.544 0.000 2.465 141 M HA 0.967 5.447 4.480 -0.000 0.000 0.316 141 M C -1.324 174.663 176.300 -0.522 0.000 1.121 141 M CA -0.382 54.462 55.300 -0.761 0.000 0.934 141 M CB 1.598 33.398 32.600 -1.333 0.000 1.692 141 M HN 0.378 nan 8.290 nan 0.000 0.444 142 M N 3.100 122.385 119.600 -0.525 0.000 2.267 142 M HA 0.882 5.362 4.480 -0.000 0.000 0.289 142 M C 0.163 176.184 176.300 -0.466 0.000 1.043 142 M CA 0.404 55.462 55.300 -0.405 0.000 0.928 142 M CB 1.755 34.151 32.600 -0.341 0.000 1.613 142 M HN 1.211 nan 8.290 nan 0.000 0.450 143 G N 1.642 110.193 108.800 -0.416 0.000 2.384 143 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.200 143 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.200 143 G C -1.075 173.431 174.900 -0.657 0.000 1.205 143 G CA -0.883 43.919 45.100 -0.496 0.000 1.116 143 G HN 0.857 nan 8.290 nan 0.000 0.547 144 K N 0.486 120.588 120.400 -0.496 0.000 2.412 144 K HA 0.421 4.741 4.320 -0.000 0.000 0.284 144 K C 1.098 177.538 176.600 -0.267 0.000 1.046 144 K CA 0.001 56.051 56.287 -0.395 0.000 0.999 144 K CB 0.708 33.068 32.500 -0.233 0.000 0.941 144 K HN 0.559 nan 8.250 nan 0.000 0.474 145 L N 4.044 125.135 121.223 -0.220 0.000 2.296 145 L HA 0.104 4.444 4.340 -0.000 0.000 0.193 145 L C 0.299 177.210 176.870 0.067 0.000 1.123 145 L CA 1.312 56.108 54.840 -0.074 0.000 0.805 145 L CB -0.515 41.474 42.059 -0.116 0.000 1.004 145 L HN 1.061 nan 8.230 nan 0.000 0.478 146 H N -0.875 118.140 119.070 -0.092 0.000 2.770 146 H HA -0.169 4.387 4.556 0.000 0.000 0.309 146 H C 0.024 175.362 175.328 0.016 0.000 1.206 146 H CA 0.983 57.008 56.048 -0.038 0.000 1.147 146 H CB -1.534 28.215 29.762 -0.020 0.000 1.422 146 H HN 0.377 nan 8.280 nan 0.000 0.420 147 L N -0.548 120.693 121.223 0.030 0.000 2.966 147 L HA 0.211 4.551 4.340 -0.000 0.000 0.262 147 L C 0.791 177.659 176.870 -0.004 0.000 1.165 147 L CA 0.296 55.132 54.840 -0.007 0.000 0.978 147 L CB 0.252 42.326 42.059 0.026 0.000 1.337 147 L HN 0.402 nan 8.230 nan 0.000 0.563 148 N N -1.080 117.624 118.700 0.007 0.000 3.157 148 N HA 0.401 5.141 4.740 -0.000 0.000 0.291 148 N C 0.114 175.631 175.510 0.012 0.000 1.515 148 N CA -0.204 52.846 53.050 0.000 0.000 0.807 148 N CB 0.964 39.447 38.487 -0.006 0.000 1.672 148 N HN -0.177 nan 8.380 nan 0.000 0.592 149 A N -1.482 121.333 122.820 -0.008 0.000 2.251 149 A HA 0.634 4.954 4.320 -0.000 0.000 0.209 149 A C 0.748 178.322 177.584 -0.017 0.000 1.187 149 A CA 0.650 52.681 52.037 -0.010 0.000 0.823 149 A CB -1.358 17.618 19.000 -0.040 0.000 0.846 149 A HN 1.350 nan 8.150 nan 0.000 0.486 150 G N -3.158 105.629 108.800 -0.023 0.000 2.312 150 G HA2 0.378 4.338 3.960 -0.000 0.000 0.347 150 G HA3 0.378 4.338 3.960 -0.000 0.000 0.347 150 G C 0.495 175.371 174.900 -0.042 0.000 1.564 150 G CA -0.162 44.914 45.100 -0.040 0.000 0.981 150 G HN 0.773 nan 8.290 nan 0.000 0.678 151 G N -0.400 108.368 108.800 -0.053 0.000 2.509 151 G HA2 0.127 4.087 3.960 -0.000 0.000 0.218 151 G HA3 0.127 4.087 3.960 -0.000 0.000 0.218 151 G C 1.034 175.914 174.900 -0.034 0.000 1.124 151 G CA 1.701 46.772 45.100 -0.048 0.000 0.776 151 G HN 0.998 nan 8.290 nan 0.000 0.547 152 D N -0.425 119.957 120.400 -0.029 0.000 2.328 152 D HA 0.031 4.671 4.640 -0.000 0.000 0.221 152 D C 0.721 177.008 176.300 -0.021 0.000 1.072 152 D CA -0.287 53.700 54.000 -0.022 0.000 0.850 152 D CB 0.042 40.831 40.800 -0.019 0.000 0.922 152 D HN -0.037 nan 8.370 nan 0.000 0.516 153 R N 1.090 121.576 120.500 -0.023 0.000 2.220 153 R HA 0.186 4.526 4.340 -0.000 0.000 0.340 153 R C 1.012 177.301 176.300 -0.018 0.000 1.076 153 R CA 0.143 56.230 56.100 -0.022 0.000 0.920 153 R CB 0.554 30.839 30.300 -0.026 0.000 1.062 153 R HN 0.221 nan 8.270 nan 0.000 0.469 154 T N -2.456 112.088 114.554 -0.016 0.000 3.088 154 T HA -0.089 4.261 4.350 -0.000 0.000 0.259 154 T C 0.851 175.544 174.700 -0.012 0.000 1.122 154 T CA 0.517 62.609 62.100 -0.012 0.000 1.095 154 T CB 0.066 68.928 68.868 -0.010 0.000 0.930 154 T HN 0.462 nan 8.240 nan 0.000 0.508 155 D N 0.347 120.739 120.400 -0.015 0.000 2.325 155 D HA 0.093 4.733 4.640 -0.000 0.000 0.225 155 D C 0.418 176.709 176.300 -0.016 0.000 1.096 155 D CA -0.146 53.845 54.000 -0.015 0.000 0.844 155 D CB -0.018 40.771 40.800 -0.018 0.000 0.925 155 D HN 0.472 nan 8.370 nan 0.000 0.513 156 Q N 0.122 119.913 119.800 -0.015 0.000 2.389 156 Q HA 0.429 4.769 4.340 -0.000 0.000 0.277 156 Q C -2.808 173.187 176.000 -0.008 0.000 1.082 156 Q CA -2.170 53.624 55.803 -0.014 0.000 0.810 156 Q CB 2.719 31.446 28.738 -0.019 0.000 1.374 156 Q HN -0.086 nan 8.270 nan 0.000 0.422 157 P HA -0.023 nan 4.420 nan 0.000 0.268 157 P C -0.842 176.462 177.300 0.007 0.000 1.204 157 P CA 0.188 63.290 63.100 0.003 0.000 0.768 157 P CB 0.656 32.359 31.700 0.006 0.000 0.842 158 Q N 1.253 121.059 119.800 0.011 0.000 2.486 158 Q HA 0.477 4.817 4.340 -0.000 0.000 0.274 158 Q C 1.411 177.437 176.000 0.044 0.000 1.076 158 Q CA -0.829 54.981 55.803 0.012 0.000 0.872 158 Q CB 0.680 29.416 28.738 -0.003 0.000 1.383 158 Q HN 0.345 nan 8.270 nan 0.000 0.478 159 A N 0.332 123.180 122.820 0.046 0.000 1.927 159 A HA -0.301 4.019 4.320 -0.000 0.000 0.220 159 A C 1.922 179.618 177.584 0.186 0.000 1.185 159 A CA 2.515 54.630 52.037 0.130 0.000 0.639 159 A CB -0.493 18.521 19.000 0.024 0.000 0.820 159 A HN 0.754 nan 8.150 nan 0.000 0.451 160 Q N -0.604 119.252 119.800 0.093 0.000 2.079 160 Q HA -0.198 4.142 4.340 -0.000 0.000 0.200 160 Q C 1.414 177.440 176.000 0.044 0.000 0.974 160 Q CA 1.667 57.515 55.803 0.076 0.000 0.840 160 Q CB -0.155 28.609 28.738 0.044 0.000 0.898 160 Q HN 0.672 nan 8.270 nan 0.000 0.430 161 D N 0.082 120.501 120.400 0.032 0.000 2.182 161 D HA -0.182 4.458 4.640 -0.000 0.000 0.201 161 D C 1.515 177.813 176.300 -0.002 0.000 0.986 161 D CA 1.253 55.260 54.000 0.012 0.000 0.847 161 D CB -0.075 40.731 40.800 0.010 0.000 0.942 161 D HN 0.436 nan 8.370 nan 0.000 0.467 162 M N -0.697 118.916 119.600 0.022 0.000 2.618 162 M HA 0.097 4.577 4.480 -0.000 0.000 0.240 162 M C 1.171 177.361 176.300 -0.183 0.000 1.123 162 M CA 0.592 55.883 55.300 -0.014 0.000 1.060 162 M CB 0.668 33.333 32.600 0.107 0.000 1.535 162 M HN 0.129 nan 8.290 nan 0.000 0.507 163 G N 0.157 108.862 108.800 -0.159 0.000 2.179 163 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.220 163 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.220 163 G C -0.220 174.508 174.900 -0.286 0.000 0.990 163 G CA -0.735 44.216 45.100 -0.249 0.000 0.646 163 G HN 0.344 nan 8.290 nan 0.000 0.517 164 F N 2.013 121.973 119.950 0.017 0.000 2.390 164 F HA 0.462 4.989 4.527 -0.000 0.000 0.361 164 F C 1.086 176.902 175.800 0.025 0.000 1.124 164 F CA -0.900 57.101 58.000 0.003 0.000 1.149 164 F CB 1.217 40.186 39.000 -0.052 0.000 1.160 164 F HN -0.112 nan 8.300 nan 0.000 0.501 165 D N 1.665 122.202 120.400 0.228 0.000 2.317 165 D HA -0.124 4.516 4.640 -0.000 0.000 0.211 165 D C -0.287 176.167 176.300 0.256 0.000 0.966 165 D CA 1.174 55.300 54.000 0.209 0.000 0.876 165 D CB 0.090 41.020 40.800 0.217 0.000 0.927 165 D HN 0.447 nan 8.370 nan 0.000 0.519 166 Y N 0.468 120.838 120.300 0.116 0.000 2.425 166 Y HA 0.369 4.919 4.550 -0.000 0.000 0.344 166 Y C -0.914 174.932 175.900 -0.090 0.000 0.969 166 Y CA -0.942 57.186 58.100 0.046 0.000 1.052 166 Y CB 1.621 40.143 38.460 0.102 0.000 1.215 166 Y HN -0.225 nan 8.280 nan 0.000 0.451 167 S N 6.183 121.615 115.700 -0.446 0.000 2.572 167 S HA 0.518 4.988 4.470 -0.000 0.000 0.274 167 S C -2.096 172.261 174.600 -0.405 0.000 1.150 167 S CA -0.877 57.112 58.200 -0.352 0.000 0.944 167 S CB 1.604 64.659 63.200 -0.242 0.000 1.071 167 S HN 0.756 nan 8.310 nan 0.000 0.479 168 L N 3.501 124.566 121.223 -0.264 0.000 2.313 168 L HA 0.849 5.189 4.340 -0.000 0.000 0.273 168 L C -0.275 176.482 176.870 -0.187 0.000 1.028 168 L CA -0.160 54.587 54.840 -0.155 0.000 0.871 168 L CB 0.467 42.478 42.059 -0.081 0.000 1.242 168 L HN 1.028 nan 8.230 nan 0.000 0.434 169 A N 3.722 126.408 122.820 -0.225 0.000 2.342 169 A HA 0.641 4.961 4.320 -0.000 0.000 0.323 169 A C -0.802 176.401 177.584 -0.636 0.000 1.125 169 A CA -0.697 51.088 52.037 -0.420 0.000 0.785 169 A CB 0.876 19.692 19.000 -0.307 0.000 1.221 169 A HN 0.626 nan 8.150 nan 0.000 0.463 170 N N 1.486 119.534 118.700 -1.088 0.000 2.439 170 N HA 0.223 4.963 4.740 -0.000 0.000 0.249 170 N C 1.137 176.311 175.510 -0.559 0.000 1.003 170 N CA 0.378 52.786 53.050 -1.069 0.000 0.942 170 N CB 1.154 38.732 38.487 -1.515 0.000 1.115 170 N HN 0.617 nan 8.380 nan 0.000 0.505 171 T N 0.140 114.477 114.554 -0.361 0.000 3.072 171 T HA 0.202 4.552 4.350 -0.000 0.000 0.266 171 T C 0.838 175.431 174.700 -0.177 0.000 1.127 171 T CA 0.192 62.166 62.100 -0.209 0.000 1.107 171 T CB -0.002 68.788 68.868 -0.131 0.000 0.910 171 T HN 0.423 nan 8.240 nan 0.000 0.513 172 A N 0.513 123.141 122.820 -0.319 0.000 2.252 172 A HA 0.729 5.049 4.320 -0.000 0.000 0.305 172 A C 1.652 178.857 177.584 -0.632 0.000 1.097 172 A CA -0.263 51.525 52.037 -0.416 0.000 0.849 172 A CB 0.365 19.025 19.000 -0.566 0.000 1.142 172 A HN 0.288 nan 8.150 nan 0.000 0.499 173 G N -1.154 107.136 108.800 -0.850 0.000 2.848 173 G HA2 0.370 4.330 3.960 -0.000 0.000 0.208 173 G HA3 0.370 4.330 3.960 -0.000 0.000 0.208 173 G C 0.064 174.654 174.900 -0.517 0.000 1.152 173 G CA 0.993 45.494 45.100 -0.998 0.000 0.789 173 G HN 0.966 nan 8.290 nan 0.000 0.531 174 F N -3.142 116.508 119.950 -0.499 0.000 2.713 174 F HA 0.656 5.183 4.527 -0.000 0.000 0.311 174 F C -0.948 174.768 175.800 -0.140 0.000 1.141 174 F CA -1.748 56.006 58.000 -0.410 0.000 0.939 174 F CB 1.090 39.920 39.000 -0.283 0.000 1.325 174 F HN -0.210 nan 8.300 nan 0.000 0.453 175 V N 1.545 121.520 119.914 0.101 0.000 2.530 175 V HA 0.438 4.558 4.120 -0.000 0.000 0.282 175 V C -0.067 176.159 176.094 0.220 0.000 1.048 175 V CA 0.156 62.559 62.300 0.171 0.000 0.997 175 V CB 1.334 33.296 31.823 0.232 0.000 0.987 175 V HN 0.901 nan 8.190 nan 0.000 0.477 176 T N 3.740 118.393 114.554 0.166 0.000 2.855 176 T HA 0.310 4.660 4.350 -0.000 0.000 0.281 176 T C -0.765 174.031 174.700 0.160 0.000 1.007 176 T CA -0.366 61.857 62.100 0.205 0.000 1.009 176 T CB 1.262 70.197 68.868 0.112 0.000 0.983 176 T HN 0.741 nan 8.240 nan 0.000 0.455 177 D N 1.764 122.265 120.400 0.167 0.000 2.453 177 D HA 0.488 5.128 4.640 -0.000 0.000 0.238 177 D C 0.869 177.189 176.300 0.033 0.000 1.088 177 D CA -0.705 53.338 54.000 0.072 0.000 0.854 177 D CB 1.485 42.318 40.800 0.056 0.000 1.076 177 D HN 0.511 nan 8.370 nan 0.000 0.533 178 A N 2.759 125.591 122.820 0.020 0.000 1.972 178 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 178 A C 1.984 179.546 177.584 -0.038 0.000 1.169 178 A CA 2.053 54.094 52.037 0.006 0.000 0.635 178 A CB -0.646 18.360 19.000 0.009 0.000 0.810 178 A HN 0.645 nan 8.150 nan 0.000 0.446 179 T N -2.356 112.162 114.554 -0.060 0.000 2.995 179 T HA 0.055 4.405 4.350 -0.000 0.000 0.269 179 T C 1.673 176.282 174.700 -0.151 0.000 1.091 179 T CA 1.326 63.375 62.100 -0.085 0.000 1.128 179 T CB -0.320 68.502 68.868 -0.077 0.000 0.891 179 T HN 0.299 nan 8.240 nan 0.000 0.492 180 L N 0.266 121.339 121.223 -0.251 0.000 2.168 180 L HA 0.167 4.507 4.340 -0.000 0.000 0.203 180 L C 2.531 179.113 176.870 -0.480 0.000 1.078 180 L CA 0.853 55.361 54.840 -0.553 0.000 0.780 180 L CB -0.277 41.134 42.059 -1.079 0.000 0.939 180 L HN 0.100 nan 8.230 nan 0.000 0.451 181 D N 0.586 120.856 120.400 -0.218 0.000 2.123 181 D HA -0.179 4.461 4.640 -0.000 0.000 0.196 181 D C 1.425 177.720 176.300 -0.008 0.000 0.992 181 D CA 1.445 55.447 54.000 0.004 0.000 0.833 181 D CB -0.325 40.534 40.800 0.099 0.000 0.954 181 D HN 0.354 nan 8.370 nan 0.000 0.455 182 N N -0.124 118.556 118.700 -0.033 0.000 2.322 182 N HA 0.227 4.967 4.740 -0.000 0.000 0.194 182 N C -0.039 175.452 175.510 -0.030 0.000 1.126 182 N CA -0.139 52.900 53.050 -0.018 0.000 0.845 182 N CB 0.513 38.993 38.487 -0.012 0.000 0.976 182 N HN 0.039 nan 8.380 nan 0.000 0.475 183 A N 0.980 123.764 122.820 -0.059 0.000 2.462 183 A HA 0.094 4.414 4.320 -0.000 0.000 0.243 183 A C 1.001 178.575 177.584 -0.016 0.000 1.076 183 A CA 0.068 52.076 52.037 -0.049 0.000 0.773 183 A CB 0.529 19.479 19.000 -0.084 0.000 1.010 183 A HN 0.216 nan 8.150 nan 0.000 0.493 184 K N 0.587 120.986 120.400 -0.002 0.000 2.242 184 K HA 0.004 4.324 4.320 -0.000 0.000 0.200 184 K C 0.681 177.294 176.600 0.023 0.000 1.050 184 K CA 0.405 56.699 56.287 0.011 0.000 0.981 184 K CB 0.029 32.535 32.500 0.010 0.000 0.795 184 K HN 0.925 nan 8.250 nan 0.000 0.477 185 E N 2.196 122.415 120.200 0.030 0.000 2.408 185 E HA 0.029 4.379 4.350 -0.000 0.000 0.259 185 E C -0.367 176.266 176.600 0.055 0.000 1.110 185 E CA 0.187 56.617 56.400 0.049 0.000 0.929 185 E CB 0.718 30.459 29.700 0.067 0.000 0.971 185 E HN -0.150 nan 8.360 nan 0.000 0.438 186 R N 2.319 122.859 120.500 0.067 0.000 2.514 186 R HA 0.423 4.763 4.340 -0.000 0.000 0.296 186 R C -2.221 174.135 176.300 0.093 0.000 1.012 186 R CA -1.717 54.422 56.100 0.066 0.000 0.897 186 R CB 1.028 31.360 30.300 0.053 0.000 1.184 186 R HN 0.581 nan 8.270 nan 0.000 0.440 187 P HA 0.460 nan 4.420 nan 0.000 0.278 187 P C -0.695 176.583 177.300 -0.037 0.000 1.266 187 P CA -0.774 62.330 63.100 0.007 0.000 0.807 187 P CB 0.955 32.613 31.700 -0.070 0.000 1.094 188 R N 0.232 120.671 120.500 -0.101 0.000 2.407 188 R HA 0.507 4.847 4.340 -0.000 0.000 0.303 188 R C -0.872 175.316 176.300 -0.187 0.000 0.981 188 R CA -0.371 55.699 56.100 -0.050 0.000 0.905 188 R CB 0.777 31.077 30.300 -0.000 0.000 1.099 188 R HN 0.464 nan 8.270 nan 0.000 0.459 189 Y N 0.364 120.743 120.300 0.131 0.000 2.376 189 Y HA 0.670 5.220 4.550 0.000 0.000 0.340 189 Y C 0.626 176.587 175.900 0.102 0.000 0.965 189 Y CA -0.488 57.700 58.100 0.148 0.000 1.078 189 Y CB 2.782 41.316 38.460 0.124 0.000 1.193 189 Y HN 0.817 nan 8.280 nan 0.000 0.452 190 G N 2.706 111.672 108.800 0.278 0.000 2.318 190 G HA2 0.250 4.210 3.960 -0.000 0.000 0.302 190 G HA3 0.250 4.210 3.960 -0.000 0.000 0.302 190 G C -1.586 173.441 174.900 0.211 0.000 1.633 190 G CA -1.271 43.949 45.100 0.201 0.000 0.965 190 G HN 0.210 nan 8.290 nan 0.000 0.698 191 M N 0.607 120.332 119.600 0.209 0.000 2.240 191 M HA 0.357 4.837 4.480 -0.000 0.000 0.333 191 M C 0.754 177.125 176.300 0.117 0.000 1.110 191 M CA -0.724 54.658 55.300 0.137 0.000 1.173 191 M CB 1.116 33.752 32.600 0.060 0.000 1.458 191 M HN 0.305 nan 8.290 nan 0.000 0.458 192 V N 3.752 123.657 119.914 -0.015 0.000 2.432 192 V HA 0.166 4.286 4.120 -0.000 0.000 0.271 192 V C -0.908 175.061 176.094 -0.209 0.000 1.046 192 V CA -0.242 62.062 62.300 0.006 0.000 0.945 192 V CB -0.114 31.745 31.823 0.059 0.000 0.992 192 V HN 0.589 nan 8.190 nan 0.000 0.471 193 Y N 5.797 126.060 120.300 -0.062 0.000 2.331 193 Y HA 0.415 4.965 4.550 0.000 0.000 0.334 193 Y C -2.227 173.544 175.900 -0.214 0.000 0.960 193 Y CA -2.823 55.183 58.100 -0.156 0.000 1.130 193 Y CB 1.988 40.347 38.460 -0.169 0.000 1.164 193 Y HN 0.502 nan 8.280 nan 0.000 0.458 194 P HA 0.007 nan 4.420 nan 0.000 0.263 194 P C -0.244 176.868 177.300 -0.313 0.000 1.195 194 P CA 0.250 63.156 63.100 -0.323 0.000 0.762 194 P CB 0.526 31.724 31.700 -0.837 0.000 0.799 195 T N -0.762 113.748 114.554 -0.074 0.000 2.942 195 T HA 0.613 4.963 4.350 -0.000 0.000 0.289 195 T C 0.862 175.662 174.700 0.167 0.000 1.044 195 T CA -0.168 61.929 62.100 -0.005 0.000 1.023 195 T CB 1.593 70.464 68.868 0.005 0.000 1.123 195 T HN 0.636 nan 8.240 nan 0.000 0.512 196 G N -0.224 108.671 108.800 0.160 0.000 2.159 196 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.256 196 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.256 196 G C -0.190 174.881 174.900 0.284 0.000 0.977 196 G CA -0.185 45.022 45.100 0.178 0.000 0.652 196 G HN 0.725 nan 8.290 nan 0.000 0.531 197 W N 0.047 121.361 121.300 0.024 0.000 2.215 197 W HA 0.721 5.381 4.660 0.000 0.000 0.342 197 W C 0.692 177.211 176.519 0.001 0.000 1.237 197 W CA -0.804 56.556 57.345 0.024 0.000 1.283 197 W CB 0.392 29.923 29.460 0.118 0.000 1.131 197 W HN 0.074 nan 8.180 nan 0.000 0.606 198 L N 2.760 124.071 121.223 0.147 0.000 2.333 198 L HA 0.492 4.832 4.340 -0.000 0.000 0.280 198 L C 0.228 177.095 176.870 -0.005 0.000 1.004 198 L CA -1.075 53.791 54.840 0.044 0.000 0.820 198 L CB 1.570 43.615 42.059 -0.024 0.000 1.247 198 L HN 0.282 nan 8.230 nan 0.000 0.416 199 R N 4.131 124.620 120.500 -0.019 0.000 2.215 199 R HA 0.231 4.571 4.340 -0.000 0.000 0.336 199 R C -0.275 175.929 176.300 -0.161 0.000 0.996 199 R CA -0.348 55.681 56.100 -0.120 0.000 0.847 199 R CB 0.319 30.579 30.300 -0.067 0.000 1.127 199 R HN 0.691 nan 8.270 nan 0.000 0.465 200 N N 3.484 122.032 118.700 -0.254 0.000 2.725 200 N HA -0.215 4.525 4.740 -0.000 0.000 0.251 200 N C 0.572 176.026 175.510 -0.094 0.000 1.031 200 N CA 1.510 54.445 53.050 -0.193 0.000 0.720 200 N CB -1.055 37.313 38.487 -0.198 0.000 0.930 200 N HN 1.088 nan 8.380 nan 0.000 0.543 201 G N -1.632 107.120 108.800 -0.080 0.000 2.199 201 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.254 201 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.254 201 G C -0.190 174.693 174.900 -0.029 0.000 0.982 201 G CA 0.470 45.542 45.100 -0.046 0.000 0.632 201 G HN 0.436 nan 8.290 nan 0.000 0.529 202 Q N 0.774 120.558 119.800 -0.027 0.000 2.293 202 Q HA 0.508 4.848 4.340 -0.000 0.000 0.261 202 Q C -2.522 173.485 176.000 0.012 0.000 0.960 202 Q CA -2.291 53.508 55.803 -0.006 0.000 0.882 202 Q CB 1.481 30.216 28.738 -0.004 0.000 1.275 202 Q HN 0.175 nan 8.270 nan 0.000 0.445 203 P HA -0.046 nan 4.420 nan 0.000 0.264 203 P C -0.326 177.006 177.300 0.052 0.000 1.179 203 P CA 0.500 63.624 63.100 0.040 0.000 0.763 203 P CB 0.449 32.166 31.700 0.027 0.000 0.806 204 T N 0.301 114.903 114.554 0.080 0.000 2.932 204 T HA 0.685 5.035 4.350 -0.000 0.000 0.289 204 T C -2.342 172.389 174.700 0.052 0.000 1.039 204 T CA -2.044 60.109 62.100 0.088 0.000 1.024 204 T CB 0.671 69.639 68.868 0.166 0.000 1.090 204 T HN 0.175 nan 8.240 nan 0.000 0.496 205 P HA 0.232 nan 4.420 nan 0.000 0.273 205 P C -0.219 177.045 177.300 -0.061 0.000 1.250 205 P CA -0.751 62.342 63.100 -0.013 0.000 0.793 205 P CB 0.586 32.275 31.700 -0.018 0.000 1.011 206 R N 0.573 121.018 120.500 -0.092 0.000 2.538 206 R HA 0.262 4.602 4.340 -0.000 0.000 0.282 206 R C 0.112 176.265 176.300 -0.246 0.000 1.009 206 R CA -0.197 55.809 56.100 -0.156 0.000 1.063 206 R CB -0.167 30.058 30.300 -0.126 0.000 0.945 206 R HN 0.605 nan 8.270 nan 0.000 0.414 207 A N 3.520 126.075 122.820 -0.442 0.000 2.483 207 A HA -0.015 4.305 4.320 -0.000 0.000 0.238 207 A C 0.446 177.860 177.584 -0.283 0.000 1.070 207 A CA 0.112 51.762 52.037 -0.644 0.000 0.770 207 A CB 0.229 18.375 19.000 -1.424 0.000 1.008 207 A HN 0.948 nan 8.150 nan 0.000 0.497 208 D N 0.411 120.698 120.400 -0.189 0.000 2.363 208 D HA 0.142 4.782 4.640 -0.000 0.000 0.214 208 D C 0.066 176.426 176.300 0.101 0.000 1.093 208 D CA 0.318 54.259 54.000 -0.098 0.000 0.837 208 D CB 0.175 40.928 40.800 -0.077 0.000 0.948 208 D HN 0.449 nan 8.370 nan 0.000 0.507 209 K N -0.132 120.353 120.400 0.142 0.000 2.435 209 K HA 0.439 4.759 4.320 -0.000 0.000 0.251 209 K C -0.167 176.462 176.600 0.049 0.000 0.954 209 K CA -0.803 55.606 56.287 0.203 0.000 0.820 209 K CB 2.802 35.405 32.500 0.171 0.000 1.292 209 K HN -0.120 nan 8.250 nan 0.000 0.436 210 M N 0.889 120.426 119.600 -0.106 0.000 2.232 210 M HA -0.036 4.444 4.480 -0.000 0.000 0.321 210 M C 1.712 178.046 176.300 0.057 0.000 1.101 210 M CA 0.471 55.633 55.300 -0.231 0.000 1.181 210 M CB 0.825 33.265 32.600 -0.267 0.000 1.432 210 M HN 0.779 nan 8.290 nan 0.000 0.457 211 S N 1.766 117.499 115.700 0.055 0.000 2.380 211 S HA -0.169 4.301 4.470 -0.000 0.000 0.229 211 S C 1.692 176.432 174.600 0.234 0.000 1.043 211 S CA 2.167 60.449 58.200 0.137 0.000 1.038 211 S CB -0.616 62.713 63.200 0.214 0.000 0.872 211 S HN 0.950 nan 8.310 nan 0.000 0.456 212 G N 0.262 109.172 108.800 0.183 0.000 2.440 212 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.218 212 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.218 212 G C 1.366 176.294 174.900 0.047 0.000 1.154 212 G CA 0.923 46.003 45.100 -0.034 0.000 0.767 212 G HN 0.630 nan 8.290 nan 0.000 0.552 213 E N -0.928 119.336 120.200 0.107 0.000 2.107 213 E HA -0.083 4.267 4.350 -0.000 0.000 0.191 213 E C 2.108 178.830 176.600 0.204 0.000 0.982 213 E CA 0.473 56.973 56.400 0.167 0.000 0.809 213 E CB -0.214 29.636 29.700 0.251 0.000 0.756 213 E HN 0.455 nan 8.360 nan 0.000 0.459 214 Y N 1.128 121.450 120.300 0.036 0.000 2.207 214 Y HA -0.251 4.299 4.550 -0.000 0.000 0.287 214 Y C 1.996 177.902 175.900 0.010 0.000 1.156 214 Y CA 0.967 59.045 58.100 -0.037 0.000 1.182 214 Y CB -0.375 37.955 38.460 -0.217 0.000 0.979 214 Y HN -0.158 nan 8.280 nan 0.000 0.521 215 V N -0.300 119.656 119.914 0.070 0.000 2.283 215 V HA -0.252 3.868 4.120 -0.000 0.000 0.243 215 V C 2.605 178.681 176.094 -0.030 0.000 1.039 215 V CA 2.048 64.336 62.300 -0.020 0.000 1.016 215 V CB -1.103 30.721 31.823 0.003 0.000 0.650 215 V HN 0.579 nan 8.190 nan 0.000 0.449 216 S N 1.124 116.899 115.700 0.125 0.000 2.383 216 S HA -0.177 4.293 4.470 -0.000 0.000 0.227 216 S C 2.139 176.778 174.600 0.066 0.000 1.026 216 S CA 1.552 59.829 58.200 0.129 0.000 0.981 216 S CB -0.664 62.662 63.200 0.210 0.000 0.818 216 S HN 0.702 nan 8.310 nan 0.000 0.472 217 S N 1.726 117.470 115.700 0.072 0.000 2.383 217 S HA -0.093 4.377 4.470 -0.000 0.000 0.227 217 S C 1.849 176.471 174.600 0.038 0.000 1.026 217 S CA 1.137 59.376 58.200 0.064 0.000 0.981 217 S CB -0.671 62.584 63.200 0.092 0.000 0.818 217 S HN 0.577 nan 8.310 nan 0.000 0.472 218 E N 1.389 121.590 120.200 0.002 0.000 2.077 218 E HA -0.082 4.268 4.350 -0.000 0.000 0.193 218 E C 1.878 178.479 176.600 0.002 0.000 0.989 218 E CA 1.356 57.752 56.400 -0.007 0.000 0.800 218 E CB -0.514 29.137 29.700 -0.081 0.000 0.746 218 E HN 0.382 nan 8.360 nan 0.000 0.452 219 V N -0.348 119.541 119.914 -0.042 0.000 2.295 219 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 219 V C 2.332 178.440 176.094 0.023 0.000 1.049 219 V CA 1.594 63.863 62.300 -0.051 0.000 1.024 219 V CB -0.398 31.367 31.823 -0.098 0.000 0.648 219 V HN 0.198 nan 8.190 nan 0.000 0.447 220 V N 0.560 120.488 119.914 0.022 0.000 2.343 220 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 220 V C 2.351 178.452 176.094 0.010 0.000 1.051 220 V CA 2.036 64.349 62.300 0.021 0.000 1.036 220 V CB -0.867 30.974 31.823 0.030 0.000 0.654 220 V HN 0.552 nan 8.190 nan 0.000 0.451 221 N N -0.934 117.779 118.700 0.021 0.000 2.084 221 N HA -0.227 4.513 4.740 -0.000 0.000 0.190 221 N C 1.461 176.954 175.510 -0.028 0.000 1.030 221 N CA 1.811 54.864 53.050 0.004 0.000 0.849 221 N CB -0.483 38.021 38.487 0.029 0.000 1.012 221 N HN 0.713 nan 8.380 nan 0.000 0.423 222 W N 1.690 122.854 121.300 -0.227 0.000 2.358 222 W HA 0.010 4.670 4.660 0.000 0.000 0.303 222 W C 1.882 178.219 176.519 -0.303 0.000 1.208 222 W CA 0.876 58.009 57.345 -0.353 0.000 1.274 222 W CB -0.306 28.855 29.460 -0.498 0.000 1.138 222 W HN -0.016 nan 8.180 nan 0.000 0.515 223 L N 0.165 121.362 121.223 -0.043 0.000 2.141 223 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 223 L C 2.119 178.839 176.870 -0.249 0.000 1.094 223 L CA 1.385 56.086 54.840 -0.232 0.000 0.763 223 L CB -0.814 41.160 42.059 -0.141 0.000 0.908 223 L HN -0.119 nan 8.230 nan 0.000 0.437 224 D N 0.374 120.676 120.400 -0.163 0.000 2.144 224 D HA -0.138 4.502 4.640 -0.000 0.000 0.200 224 D C 1.113 177.306 176.300 -0.179 0.000 0.978 224 D CA 1.208 55.128 54.000 -0.133 0.000 0.833 224 D CB -0.231 40.522 40.800 -0.078 0.000 0.961 224 D HN 0.437 nan 8.370 nan 0.000 0.470 225 N N 0.159 118.707 118.700 -0.252 0.000 2.327 225 N HA 0.057 4.797 4.740 -0.000 0.000 0.231 225 N C -0.190 175.082 175.510 -0.396 0.000 1.130 225 N CA -0.150 52.739 53.050 -0.268 0.000 0.845 225 N CB 0.669 39.023 38.487 -0.222 0.000 1.073 225 N HN -0.037 nan 8.380 nan 0.000 0.496 226 K N 0.886 121.018 120.400 -0.447 0.000 2.412 226 K HA 0.026 4.346 4.320 -0.000 0.000 0.281 226 K C 1.022 177.452 176.600 -0.284 0.000 1.027 226 K CA 0.063 56.054 56.287 -0.492 0.000 0.989 226 K CB 0.977 33.199 32.500 -0.465 0.000 0.935 226 K HN -0.020 nan 8.250 nan 0.000 0.475 227 K N 2.091 122.342 120.400 -0.248 0.000 2.076 227 K HA -0.102 4.218 4.320 -0.000 0.000 0.204 227 K C 0.141 176.682 176.600 -0.098 0.000 1.051 227 K CA 1.744 57.945 56.287 -0.144 0.000 0.949 227 K CB 0.238 32.672 32.500 -0.111 0.000 0.726 227 K HN 0.721 nan 8.250 nan 0.000 0.443 228 D N -2.662 117.684 120.400 -0.090 0.000 2.846 228 D HA 0.098 4.738 4.640 -0.000 0.000 0.273 228 D C -0.119 176.162 176.300 -0.031 0.000 1.145 228 D CA -0.384 53.586 54.000 -0.049 0.000 1.091 228 D CB 0.424 41.206 40.800 -0.032 0.000 1.364 228 D HN -0.071 nan 8.370 nan 0.000 0.613 229 S N -2.141 113.551 115.700 -0.013 0.000 2.582 229 S HA 0.200 4.670 4.470 -0.000 0.000 0.234 229 S C 0.346 174.946 174.600 -0.000 0.000 0.961 229 S CA -0.605 57.597 58.200 0.004 0.000 0.953 229 S CB -0.572 62.629 63.200 0.001 0.000 0.800 229 S HN 0.301 nan 8.310 nan 0.000 0.471 230 K N 3.400 123.797 120.400 -0.005 0.000 2.436 230 K HA 0.181 4.501 4.320 -0.000 0.000 0.275 230 K C -2.409 174.168 176.600 -0.038 0.000 0.999 230 K CA -1.402 54.866 56.287 -0.032 0.000 0.980 230 K CB 0.211 32.709 32.500 -0.002 0.000 0.919 230 K HN 0.265 nan 8.250 nan 0.000 0.484 231 P HA 0.007 nan 4.420 nan 0.000 0.271 231 P C -0.971 176.221 177.300 -0.181 0.000 1.218 231 P CA -0.010 62.852 63.100 -0.397 0.000 0.780 231 P CB 0.311 31.452 31.700 -0.931 0.000 0.901 232 F N 0.648 120.665 119.950 0.112 0.000 2.538 232 F HA 0.716 5.243 4.527 0.000 0.000 0.325 232 F C -1.211 174.925 175.800 0.560 0.000 1.066 232 F CA -1.685 56.543 58.000 0.380 0.000 0.946 232 F CB 1.451 40.719 39.000 0.446 0.000 1.199 232 F HN 0.198 nan 8.300 nan 0.000 0.473 233 F N 4.364 124.654 119.950 0.567 0.000 2.460 233 F HA 0.669 5.196 4.527 0.000 0.000 0.341 233 F C -1.834 174.152 175.800 0.310 0.000 1.130 233 F CA -0.934 57.276 58.000 0.351 0.000 0.962 233 F CB 1.020 40.112 39.000 0.154 0.000 1.171 233 F HN 0.493 nan 8.300 nan 0.000 0.436 234 L N 6.791 128.044 121.223 0.050 0.000 2.295 234 L HA 0.319 4.659 4.340 -0.000 0.000 0.285 234 L C -1.346 175.279 176.870 -0.408 0.000 1.035 234 L CA -1.090 53.584 54.840 -0.277 0.000 0.806 234 L CB 1.459 43.477 42.059 -0.068 0.000 1.214 234 L HN 0.595 nan 8.230 nan 0.000 0.426 235 Y N 4.096 123.990 120.300 -0.676 0.000 2.464 235 Y HA 0.466 5.016 4.550 -0.000 0.000 0.326 235 Y C -0.787 174.846 175.900 -0.446 0.000 0.969 235 Y CA -1.076 56.733 58.100 -0.485 0.000 1.270 235 Y CB 1.125 39.298 38.460 -0.479 0.000 1.103 235 Y HN 0.194 nan 8.280 nan 0.000 0.491 236 V N 6.396 125.967 119.914 -0.573 0.000 2.288 236 V HA 0.511 4.631 4.120 -0.000 0.000 0.266 236 V C 0.297 175.885 176.094 -0.842 0.000 1.048 236 V CA -0.401 61.475 62.300 -0.707 0.000 0.842 236 V CB 0.412 31.895 31.823 -0.566 0.000 1.064 236 V HN 0.906 nan 8.190 nan 0.000 0.472 237 A N 5.613 127.877 122.820 -0.927 0.000 2.910 237 A HA 0.631 4.951 4.320 -0.000 0.000 0.316 237 A C -0.142 177.191 177.584 -0.418 0.000 1.493 237 A CA -0.401 51.203 52.037 -0.721 0.000 1.150 237 A CB -0.450 18.054 19.000 -0.826 0.000 1.159 237 A HN 0.602 nan 8.150 nan 0.000 0.526 238 F N 0.368 120.208 119.950 -0.183 0.000 2.563 238 F HA 0.041 4.568 4.527 -0.000 0.000 0.363 238 F C 1.957 177.732 175.800 -0.042 0.000 1.123 238 F CA 0.763 58.714 58.000 -0.082 0.000 1.307 238 F CB 0.848 39.812 39.000 -0.060 0.000 1.115 238 F HN 0.457 nan 8.300 nan 0.000 0.592 239 T N 0.840 115.539 114.554 0.242 0.000 2.985 239 T HA -0.059 4.291 4.350 -0.000 0.000 0.266 239 T C 0.402 175.210 174.700 0.180 0.000 1.076 239 T CA 0.590 62.795 62.100 0.175 0.000 1.135 239 T CB -0.247 68.764 68.868 0.238 0.000 0.890 239 T HN 0.400 nan 8.240 nan 0.000 0.480 240 E N 1.040 121.336 120.200 0.160 0.000 2.392 240 E HA 0.133 4.483 4.350 -0.000 0.000 0.264 240 E C 0.557 177.209 176.600 0.087 0.000 1.024 240 E CA -0.057 56.394 56.400 0.083 0.000 0.903 240 E CB 1.016 30.698 29.700 -0.031 0.000 0.963 240 E HN 0.134 nan 8.360 nan 0.000 0.432 241 V N 0.415 120.370 119.914 0.068 0.000 3.110 241 V HA 0.170 4.290 4.120 -0.000 0.000 0.368 241 V C 0.440 176.608 176.094 0.123 0.000 1.332 241 V CA -0.543 61.761 62.300 0.008 0.000 1.287 241 V CB -0.699 31.003 31.823 -0.201 0.000 1.277 241 V HN 0.573 nan 8.190 nan 0.000 0.502 242 H N 2.453 121.578 119.070 0.093 0.000 2.790 242 H HA 0.314 4.870 4.556 -0.000 0.000 0.358 242 H C 0.718 176.098 175.328 0.086 0.000 1.103 242 H CA 1.051 57.174 56.048 0.124 0.000 1.426 242 H CB 1.833 31.671 29.762 0.126 0.000 1.424 242 H HN 0.691 nan 8.280 nan 0.000 0.599 243 S N 5.406 121.245 115.700 0.231 0.000 2.572 243 S HA 0.168 4.638 4.470 -0.000 0.000 0.279 243 S C -2.574 172.074 174.600 0.080 0.000 1.341 243 S CA -1.305 56.955 58.200 0.099 0.000 1.043 243 S CB 0.864 64.135 63.200 0.119 0.000 0.887 243 S HN 0.497 nan 8.310 nan 0.000 0.516 244 P HA 0.277 nan 4.420 nan 0.000 0.282 244 P C -0.408 176.740 177.300 -0.254 0.000 1.262 244 P CA -0.548 62.099 63.100 -0.756 0.000 0.773 244 P CB 0.411 31.359 31.700 -1.253 0.000 0.879 245 L N 2.331 123.479 121.223 -0.125 0.000 2.485 245 L HA 0.408 4.748 4.340 -0.000 0.000 0.275 245 L C 0.843 177.703 176.870 -0.016 0.000 1.207 245 L CA 0.056 54.899 54.840 0.004 0.000 0.855 245 L CB -0.044 42.076 42.059 0.101 0.000 1.114 245 L HN 0.437 nan 8.230 nan 0.000 0.485 246 A N 2.511 125.320 122.820 -0.017 0.000 2.442 246 A HA 0.707 5.027 4.320 -0.000 0.000 0.284 246 A C -0.736 176.740 177.584 -0.179 0.000 1.058 246 A CA -0.391 51.596 52.037 -0.082 0.000 0.738 246 A CB 1.503 20.424 19.000 -0.133 0.000 1.242 246 A HN 0.563 nan 8.150 nan 0.000 0.421 247 S N 2.919 118.489 115.700 -0.216 0.000 2.541 247 S HA 0.756 5.226 4.470 -0.000 0.000 0.280 247 S C -2.915 171.531 174.600 -0.257 0.000 1.112 247 S CA -0.994 56.968 58.200 -0.396 0.000 0.925 247 S CB 1.915 65.031 63.200 -0.140 0.000 1.067 247 S HN 0.553 nan 8.310 nan 0.000 0.479 248 P HA 0.204 nan 4.420 nan 0.000 0.270 248 P C 0.658 177.959 177.300 0.003 0.000 1.223 248 P CA -0.379 62.678 63.100 -0.072 0.000 0.785 248 P CB 0.562 32.266 31.700 0.006 0.000 0.923 249 K N 2.047 122.432 120.400 -0.025 0.000 2.103 249 K HA -0.241 4.079 4.320 -0.000 0.000 0.207 249 K C 1.846 178.398 176.600 -0.079 0.000 1.048 249 K CA 1.644 57.913 56.287 -0.030 0.000 0.930 249 K CB -0.143 32.339 32.500 -0.030 0.000 0.716 249 K HN 0.298 nan 8.250 nan 0.000 0.444 250 K N -0.167 120.120 120.400 -0.190 0.000 2.059 250 K HA -0.233 4.087 4.320 -0.000 0.000 0.212 250 K C 1.859 178.237 176.600 -0.370 0.000 1.050 250 K CA 2.060 58.132 56.287 -0.359 0.000 0.927 250 K CB -0.223 31.914 32.500 -0.606 0.000 0.714 250 K HN 0.203 nan 8.250 nan 0.000 0.447 251 Y N 0.709 121.011 120.300 0.003 0.000 2.286 251 Y HA -0.038 4.512 4.550 0.000 0.000 0.293 251 Y C 2.114 178.079 175.900 0.109 0.000 1.124 251 Y CA 0.637 58.773 58.100 0.060 0.000 1.178 251 Y CB -0.278 38.245 38.460 0.104 0.000 1.010 251 Y HN -0.026 nan 8.280 nan 0.000 0.536 252 L N -0.120 121.220 121.223 0.195 0.000 2.042 252 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 252 L C 1.798 178.730 176.870 0.104 0.000 1.076 252 L CA 1.457 56.397 54.840 0.166 0.000 0.749 252 L CB -0.486 41.632 42.059 0.098 0.000 0.893 252 L HN 0.169 nan 8.230 nan 0.000 0.432 253 D N -0.350 120.056 120.400 0.011 0.000 2.218 253 D HA -0.171 4.469 4.640 -0.000 0.000 0.204 253 D C 2.280 178.530 176.300 -0.083 0.000 0.976 253 D CA 1.135 55.115 54.000 -0.033 0.000 0.853 253 D CB -0.089 40.672 40.800 -0.066 0.000 0.939 253 D HN 0.331 nan 8.370 nan 0.000 0.481 254 M N -0.780 118.708 119.600 -0.186 0.000 2.358 254 M HA -0.158 4.322 4.480 -0.000 0.000 0.264 254 M C 0.362 176.318 176.300 -0.574 0.000 1.064 254 M CA 1.182 56.203 55.300 -0.464 0.000 1.093 254 M CB 0.084 32.219 32.600 -0.775 0.000 1.401 254 M HN 0.037 nan 8.290 nan 0.000 0.440 255 Y N -1.517 118.898 120.300 0.192 0.000 2.672 255 Y HA 0.218 4.768 4.550 0.000 0.000 0.272 255 Y C 1.798 177.830 175.900 0.221 0.000 1.055 255 Y CA -0.553 57.741 58.100 0.324 0.000 1.151 255 Y CB -0.676 38.013 38.460 0.382 0.000 1.190 255 Y HN 0.155 nan 8.280 nan 0.000 0.574 256 S N -1.106 114.691 115.700 0.161 0.000 2.419 256 S HA -0.271 4.199 4.470 -0.000 0.000 0.233 256 S C 1.877 176.479 174.600 0.003 0.000 1.016 256 S CA 1.293 59.534 58.200 0.069 0.000 0.974 256 S CB -0.112 63.096 63.200 0.015 0.000 0.786 256 S HN 0.664 nan 8.310 nan 0.000 0.492 257 Q N 0.134 119.888 119.800 -0.076 0.000 2.226 257 Q HA -0.123 4.217 4.340 -0.000 0.000 0.204 257 Q C 0.573 176.337 176.000 -0.393 0.000 0.975 257 Q CA 1.245 56.863 55.803 -0.309 0.000 0.866 257 Q CB -0.150 28.257 28.738 -0.551 0.000 0.915 257 Q HN 0.800 nan 8.270 nan 0.000 0.440 258 Y N -0.554 119.810 120.300 0.107 0.000 2.524 258 Y HA 0.251 4.801 4.550 0.000 0.000 0.266 258 Y C 0.037 175.885 175.900 -0.087 0.000 1.180 258 Y CA -0.307 57.822 58.100 0.049 0.000 1.244 258 Y CB 0.522 39.055 38.460 0.123 0.000 1.125 258 Y HN 0.056 nan 8.280 nan 0.000 0.524 259 M N 0.429 120.036 119.600 0.011 0.000 2.363 259 M HA 0.298 4.778 4.480 -0.000 0.000 0.343 259 M C 0.524 176.771 176.300 -0.088 0.000 1.165 259 M CA -0.586 54.670 55.300 -0.073 0.000 1.046 259 M CB 1.383 33.968 32.600 -0.025 0.000 1.648 259 M HN 0.172 nan 8.290 nan 0.000 0.452 260 S N 1.498 117.113 115.700 -0.142 0.000 2.614 260 S HA 0.479 4.949 4.470 -0.000 0.000 0.265 260 S C 1.203 175.811 174.600 0.013 0.000 1.303 260 S CA -0.117 58.055 58.200 -0.047 0.000 1.000 260 S CB 0.840 64.012 63.200 -0.046 0.000 0.935 260 S HN 0.741 nan 8.310 nan 0.000 0.551 261 A N 0.801 123.656 122.820 0.059 0.000 1.940 261 A HA -0.061 4.259 4.320 -0.000 0.000 0.219 261 A C 1.908 179.552 177.584 0.100 0.000 1.176 261 A CA 1.653 53.729 52.037 0.064 0.000 0.631 261 A CB -1.375 17.670 19.000 0.075 0.000 0.814 261 A HN 1.020 nan 8.150 nan 0.000 0.446 262 Y N -0.033 120.292 120.300 0.042 0.000 2.200 262 Y HA -0.216 4.334 4.550 0.000 0.000 0.290 262 Y C 2.656 178.624 175.900 0.113 0.000 1.137 262 Y CA 2.220 60.382 58.100 0.102 0.000 1.163 262 Y CB -0.178 38.310 38.460 0.047 0.000 0.988 262 Y HN 0.381 nan 8.280 nan 0.000 0.518 263 Q N 1.067 120.914 119.800 0.079 0.000 2.096 263 Q HA -0.230 4.110 4.340 -0.000 0.000 0.204 263 Q C 1.981 177.959 176.000 -0.036 0.000 0.982 263 Q CA 2.043 57.838 55.803 -0.012 0.000 0.850 263 Q CB -0.167 28.527 28.738 -0.074 0.000 0.901 263 Q HN 0.529 nan 8.270 nan 0.000 0.422 264 K N -0.214 120.163 120.400 -0.039 0.000 2.097 264 K HA -0.139 4.181 4.320 -0.000 0.000 0.206 264 K C 2.165 178.700 176.600 -0.108 0.000 1.049 264 K CA 1.080 57.335 56.287 -0.052 0.000 0.933 264 K CB 0.041 32.519 32.500 -0.038 0.000 0.717 264 K HN 0.178 nan 8.250 nan 0.000 0.442 265 Q N -0.092 119.607 119.800 -0.168 0.000 2.172 265 Q HA -0.054 4.286 4.340 -0.000 0.000 0.200 265 Q C 0.376 176.019 176.000 -0.596 0.000 0.964 265 Q CA 1.186 56.773 55.803 -0.360 0.000 0.855 265 Q CB 0.351 28.863 28.738 -0.378 0.000 0.918 265 Q HN 0.519 nan 8.270 nan 0.000 0.444 266 H N -0.540 118.383 119.070 -0.246 0.000 2.471 266 H HA 0.190 4.746 4.556 -0.000 0.000 0.234 266 H C -1.726 173.645 175.328 0.071 0.000 1.388 266 H CA -1.443 54.560 56.048 -0.075 0.000 1.198 266 H CB 1.063 30.710 29.762 -0.192 0.000 1.714 266 H HN 0.109 nan 8.280 nan 0.000 0.536 267 P HA -0.094 nan 4.420 nan 0.000 0.222 267 P C 0.722 178.160 177.300 0.231 0.000 1.153 267 P CA 1.035 64.216 63.100 0.135 0.000 0.798 267 P CB 0.349 32.089 31.700 0.067 0.000 0.796 268 D N -0.928 119.657 120.400 0.308 0.000 2.388 268 D HA 0.066 4.706 4.640 -0.000 0.000 0.221 268 D C 0.508 177.083 176.300 0.459 0.000 1.133 268 D CA -0.735 53.477 54.000 0.354 0.000 0.831 268 D CB -0.853 40.124 40.800 0.296 0.000 0.962 268 D HN 0.061 nan 8.370 nan 0.000 0.502 269 L N 1.483 122.990 121.223 0.474 0.000 2.534 269 L HA 0.196 4.536 4.340 -0.000 0.000 0.271 269 L C -0.318 176.816 176.870 0.440 0.000 1.178 269 L CA -0.449 54.565 54.840 0.290 0.000 0.907 269 L CB -0.143 42.130 42.059 0.357 0.000 1.164 269 L HN -0.044 nan 8.230 nan 0.000 0.482 270 F N 6.090 126.063 119.950 0.038 0.000 2.578 270 F HA 0.055 4.582 4.527 0.000 0.000 0.376 270 F C 1.028 176.636 175.800 -0.319 0.000 1.085 270 F CA 0.008 57.986 58.000 -0.036 0.000 1.260 270 F CB 0.271 39.246 39.000 -0.042 0.000 1.095 270 F HN 0.683 nan 8.300 nan 0.000 0.573 271 Y N 3.757 123.154 120.300 -1.504 0.000 2.384 271 Y HA -0.021 4.529 4.550 -0.000 0.000 0.289 271 Y C 1.809 176.900 175.900 -1.349 0.000 1.152 271 Y CA 0.889 57.641 58.100 -2.247 0.000 1.258 271 Y CB -0.711 36.577 38.460 -1.954 0.000 0.979 271 Y HN 0.615 nan 8.280 nan 0.000 0.549 272 G N 0.304 108.047 108.800 -1.761 0.000 2.498 272 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.219 272 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.219 272 G C 0.681 175.336 174.900 -0.409 0.000 1.119 272 G CA 0.910 45.398 45.100 -1.020 0.000 0.766 272 G HN 0.493 nan 8.290 nan 0.000 0.552 273 D N -1.178 119.052 120.400 -0.283 0.000 2.501 273 D HA 0.106 4.746 4.640 -0.000 0.000 0.226 273 D C 0.712 177.115 176.300 0.172 0.000 1.198 273 D CA -0.468 53.523 54.000 -0.015 0.000 0.830 273 D CB 0.097 40.928 40.800 0.051 0.000 1.014 273 D HN 0.324 nan 8.370 nan 0.000 0.496 274 W N 1.311 122.545 121.300 -0.111 0.000 2.942 274 W HA 0.301 4.961 4.660 -0.000 0.000 0.263 274 W C 2.140 178.619 176.519 -0.067 0.000 1.296 274 W CA -0.511 56.797 57.345 -0.061 0.000 1.504 274 W CB -0.631 28.811 29.460 -0.031 0.000 1.096 274 W HN 0.010 nan 8.180 nan 0.000 0.639 275 A N 1.017 123.912 122.820 0.125 0.000 1.978 275 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 275 A C 1.498 179.091 177.584 0.015 0.000 1.170 275 A CA 2.250 54.316 52.037 0.049 0.000 0.636 275 A CB -0.602 18.399 19.000 0.002 0.000 0.810 275 A HN 0.285 nan 8.150 nan 0.000 0.448 276 D N -1.924 118.479 120.400 0.006 0.000 2.501 276 D HA 0.133 4.773 4.640 -0.000 0.000 0.224 276 D C -0.115 176.138 176.300 -0.079 0.000 1.202 276 D CA -0.121 53.862 54.000 -0.028 0.000 0.829 276 D CB 0.155 40.946 40.800 -0.016 0.000 1.023 276 D HN 0.013 nan 8.370 nan 0.000 0.499 277 K N 1.286 121.620 120.400 -0.111 0.000 2.166 277 K HA 0.528 4.848 4.320 -0.000 0.000 0.245 277 K C -2.369 174.009 176.600 -0.371 0.000 0.967 277 K CA -1.985 54.121 56.287 -0.303 0.000 0.863 277 K CB 0.765 33.105 32.500 -0.267 0.000 1.107 277 K HN -0.049 nan 8.250 nan 0.000 0.436 278 P HA -0.021 nan 4.420 nan 0.000 0.270 278 P C -0.482 176.696 177.300 -0.204 0.000 1.227 278 P CA -0.303 62.566 63.100 -0.384 0.000 0.788 278 P CB 0.327 31.737 31.700 -0.483 0.000 0.926 279 W N 2.192 123.363 121.300 -0.216 0.000 2.193 279 W HA 0.069 4.729 4.660 0.000 0.000 0.338 279 W C 1.054 177.492 176.519 -0.135 0.000 1.310 279 W CA -0.001 57.243 57.345 -0.170 0.000 1.243 279 W CB 0.294 29.688 29.460 -0.110 0.000 1.165 279 W HN 0.355 nan 8.180 nan 0.000 0.566 280 R N 3.681 123.787 120.500 -0.656 0.000 2.312 280 R HA 0.281 4.621 4.340 -0.000 0.000 0.205 280 R C 1.059 176.844 176.300 -0.858 0.000 0.904 280 R CA 0.538 56.270 56.100 -0.613 0.000 1.052 280 R CB -0.042 29.875 30.300 -0.640 0.000 1.014 280 R HN 0.807 nan 8.270 nan 0.000 0.503 281 G N 0.325 108.032 108.800 -1.821 0.000 2.681 281 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.220 281 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.220 281 G C 0.362 174.623 174.900 -1.066 0.000 1.353 281 G CA -0.247 43.782 45.100 -1.785 0.000 0.872 281 G HN 0.217 nan 8.290 nan 0.000 0.557 282 V N -2.334 117.227 119.914 -0.588 0.000 3.605 282 V HA 0.598 4.718 4.120 -0.000 0.000 0.284 282 V C 2.252 177.941 176.094 -0.676 0.000 1.386 282 V CA 1.645 63.636 62.300 -0.516 0.000 1.053 282 V CB 0.100 31.662 31.823 -0.435 0.000 0.857 282 V HN 2.015 nan 8.190 nan 0.000 0.436 283 G N 0.686 109.273 108.800 -0.356 0.000 2.408 283 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.217 283 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.217 283 G C 1.328 176.186 174.900 -0.071 0.000 1.150 283 G CA 0.970 45.987 45.100 -0.138 0.000 0.776 283 G HN 0.576 nan 8.290 nan 0.000 0.542 284 E N -0.660 119.501 120.200 -0.064 0.000 2.110 284 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 284 E C 2.031 178.655 176.600 0.039 0.000 0.988 284 E CA 0.813 57.229 56.400 0.028 0.000 0.804 284 E CB -0.233 29.499 29.700 0.052 0.000 0.745 284 E HN 0.557 nan 8.360 nan 0.000 0.458 285 Y N 0.300 120.517 120.300 -0.138 0.000 2.128 285 Y HA -0.308 4.241 4.550 -0.000 0.000 0.284 285 Y C 1.956 177.829 175.900 -0.044 0.000 1.154 285 Y CA 1.683 59.731 58.100 -0.088 0.000 1.149 285 Y CB -0.182 38.204 38.460 -0.122 0.000 0.976 285 Y HN 0.072 nan 8.280 nan 0.000 0.505 286 Y N -0.596 119.600 120.300 -0.173 0.000 2.200 286 Y HA -0.122 4.428 4.550 -0.000 0.000 0.290 286 Y C 2.647 178.272 175.900 -0.458 0.000 1.137 286 Y CA 0.427 58.190 58.100 -0.561 0.000 1.163 286 Y CB -1.649 36.102 38.460 -1.182 0.000 0.988 286 Y HN 0.212 nan 8.280 nan 0.000 0.518 287 A N 0.465 123.296 122.820 0.019 0.000 1.892 287 A HA -0.284 4.036 4.320 -0.000 0.000 0.218 287 A C 2.330 179.989 177.584 0.123 0.000 1.188 287 A CA 2.066 54.291 52.037 0.314 0.000 0.631 287 A CB -1.067 18.113 19.000 0.301 0.000 0.822 287 A HN 0.579 nan 8.150 nan 0.000 0.447 288 N N -0.352 118.345 118.700 -0.006 0.000 2.166 288 N HA -0.116 4.624 4.740 -0.000 0.000 0.186 288 N C 1.784 177.219 175.510 -0.125 0.000 1.019 288 N CA 1.476 54.495 53.050 -0.052 0.000 0.856 288 N CB -0.185 38.240 38.487 -0.103 0.000 0.993 288 N HN 0.572 nan 8.380 nan 0.000 0.426 289 I N 0.487 120.932 120.570 -0.208 0.000 2.179 289 I HA -0.233 3.937 4.170 -0.000 0.000 0.242 289 I C 2.275 178.305 176.117 -0.145 0.000 1.088 289 I CA 0.882 62.059 61.300 -0.205 0.000 1.357 289 I CB -0.270 37.584 38.000 -0.244 0.000 1.051 289 I HN 0.055 nan 8.210 nan 0.000 0.409 290 S N -0.255 115.415 115.700 -0.049 0.000 2.399 290 S HA -0.208 4.262 4.470 -0.000 0.000 0.231 290 S C 1.912 176.361 174.600 -0.251 0.000 1.022 290 S CA 1.096 59.299 58.200 0.005 0.000 0.983 290 S CB -0.398 62.989 63.200 0.312 0.000 0.803 290 S HN 0.413 nan 8.310 nan 0.000 0.480 291 Y N 2.426 122.354 120.300 -0.621 0.000 2.114 291 Y HA -0.107 4.443 4.550 -0.000 0.000 0.284 291 Y C 2.105 177.674 175.900 -0.552 0.000 1.143 291 Y CA 1.124 58.658 58.100 -0.944 0.000 1.135 291 Y CB -0.962 37.080 38.460 -0.698 0.000 0.980 291 Y HN 0.192 nan 8.280 nan 0.000 0.499 292 L N 0.981 121.900 121.223 -0.506 0.000 1.997 292 L HA -0.285 4.055 4.340 -0.000 0.000 0.216 292 L C 2.096 178.650 176.870 -0.527 0.000 1.074 292 L CA 2.760 57.242 54.840 -0.596 0.000 0.763 292 L CB -1.340 40.505 42.059 -0.356 0.000 0.890 292 L HN 0.412 nan 8.230 nan 0.000 0.434 293 D N -0.933 119.263 120.400 -0.339 0.000 2.133 293 D HA -0.241 4.399 4.640 -0.000 0.000 0.195 293 D C 2.070 178.228 176.300 -0.237 0.000 0.997 293 D CA 1.662 55.505 54.000 -0.261 0.000 0.840 293 D CB -0.134 40.567 40.800 -0.165 0.000 0.947 293 D HN 0.535 nan 8.370 nan 0.000 0.452 294 A N -0.216 122.465 122.820 -0.232 0.000 1.902 294 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 294 A C 2.169 179.651 177.584 -0.169 0.000 1.181 294 A CA 1.372 53.335 52.037 -0.124 0.000 0.623 294 A CB -0.510 18.484 19.000 -0.010 0.000 0.818 294 A HN 0.235 nan 8.150 nan 0.000 0.443 295 Q N -0.283 119.301 119.800 -0.360 0.000 2.123 295 Q HA -0.045 4.295 4.340 -0.000 0.000 0.199 295 Q C 2.303 178.207 176.000 -0.160 0.000 0.966 295 Q CA 1.364 56.976 55.803 -0.319 0.000 0.845 295 Q CB -1.092 27.279 28.738 -0.610 0.000 0.907 295 Q HN 0.452 nan 8.270 nan 0.000 0.439 296 V N 0.969 120.706 119.914 -0.296 0.000 2.287 296 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 296 V C 2.319 178.410 176.094 -0.005 0.000 1.053 296 V CA 2.116 64.390 62.300 -0.043 0.000 1.027 296 V CB -1.325 30.419 31.823 -0.131 0.000 0.646 296 V HN 0.468 nan 8.190 nan 0.000 0.447 297 G N -0.570 108.193 108.800 -0.062 0.000 2.442 297 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.219 297 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.219 297 G C 1.656 176.566 174.900 0.017 0.000 1.141 297 G CA 0.763 45.849 45.100 -0.023 0.000 0.763 297 G HN 0.452 nan 8.290 nan 0.000 0.554 298 K N -0.033 120.382 120.400 0.024 0.000 2.097 298 K HA 0.024 4.344 4.320 -0.000 0.000 0.205 298 K C 2.590 179.232 176.600 0.068 0.000 1.050 298 K CA 0.810 57.126 56.287 0.048 0.000 0.938 298 K CB -0.242 32.290 32.500 0.052 0.000 0.718 298 K HN 0.269 nan 8.250 nan 0.000 0.442 299 V N 1.993 121.965 119.914 0.098 0.000 2.307 299 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 299 V C 2.290 178.444 176.094 0.100 0.000 1.045 299 V CA 1.434 63.799 62.300 0.109 0.000 1.024 299 V CB -0.375 31.541 31.823 0.154 0.000 0.651 299 V HN 0.238 nan 8.190 nan 0.000 0.449 300 L N -0.220 121.058 121.223 0.091 0.000 2.093 300 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 300 L C 2.302 179.215 176.870 0.072 0.000 1.085 300 L CA 1.459 56.349 54.840 0.084 0.000 0.755 300 L CB -0.760 41.334 42.059 0.058 0.000 0.904 300 L HN 0.325 nan 8.230 nan 0.000 0.435 301 D N -0.021 120.413 120.400 0.056 0.000 2.178 301 D HA -0.175 4.465 4.640 -0.000 0.000 0.202 301 D C 2.094 178.425 176.300 0.053 0.000 0.974 301 D CA 0.969 54.997 54.000 0.047 0.000 0.841 301 D CB -0.008 40.815 40.800 0.037 0.000 0.953 301 D HN 0.063 nan 8.370 nan 0.000 0.478 302 K N 0.834 121.269 120.400 0.058 0.000 2.057 302 K HA -0.053 4.267 4.320 -0.000 0.000 0.206 302 K C 1.873 178.517 176.600 0.074 0.000 1.050 302 K CA 0.668 56.988 56.287 0.054 0.000 0.935 302 K CB -0.364 32.163 32.500 0.044 0.000 0.715 302 K HN -0.001 nan 8.250 nan 0.000 0.439 303 I N 1.281 121.916 120.570 0.108 0.000 2.208 303 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 303 I C 2.317 178.511 176.117 0.128 0.000 1.097 303 I CA 1.528 62.923 61.300 0.160 0.000 1.363 303 I CB -0.919 37.202 38.000 0.202 0.000 1.051 303 I HN 0.340 nan 8.210 nan 0.000 0.413 304 K N 0.959 121.415 120.400 0.093 0.000 2.057 304 K HA -0.095 4.225 4.320 -0.000 0.000 0.206 304 K C 2.235 178.870 176.600 0.058 0.000 1.050 304 K CA 1.339 57.668 56.287 0.071 0.000 0.935 304 K CB 0.021 32.553 32.500 0.053 0.000 0.715 304 K HN 0.232 nan 8.250 nan 0.000 0.439 305 A N 1.872 124.723 122.820 0.051 0.000 1.933 305 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 305 A C 2.047 179.655 177.584 0.039 0.000 1.175 305 A CA 1.748 53.808 52.037 0.038 0.000 0.628 305 A CB -0.610 18.409 19.000 0.032 0.000 0.814 305 A HN 0.599 nan 8.150 nan 0.000 0.444 306 M N -2.183 117.448 119.600 0.052 0.000 2.659 306 M HA 0.355 4.835 4.480 -0.000 0.000 0.243 306 M C 1.075 177.415 176.300 0.067 0.000 1.111 306 M CA 0.977 56.308 55.300 0.052 0.000 1.070 306 M CB -0.290 32.341 32.600 0.052 0.000 1.525 306 M HN 0.716 nan 8.290 nan 0.000 0.517 307 G N 1.141 109.982 108.800 0.067 0.000 2.147 307 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.244 307 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.244 307 G C 0.122 175.075 174.900 0.087 0.000 1.005 307 G CA 0.300 45.439 45.100 0.064 0.000 0.713 307 G HN 0.628 nan 8.290 nan 0.000 0.515 308 E N -0.553 119.719 120.200 0.120 0.000 2.558 308 E HA 0.126 4.476 4.350 -0.000 0.000 0.205 308 E C 1.526 178.214 176.600 0.147 0.000 1.006 308 E CA 0.027 56.519 56.400 0.153 0.000 0.961 308 E CB 0.439 30.287 29.700 0.246 0.000 1.044 308 E HN 0.744 nan 8.360 nan 0.000 0.465 309 E N 1.227 121.493 120.200 0.110 0.000 2.077 309 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 309 E C 0.736 177.388 176.600 0.088 0.000 0.989 309 E CA 0.992 57.450 56.400 0.097 0.000 0.800 309 E CB 0.289 30.023 29.700 0.056 0.000 0.746 309 E HN 0.099 nan 8.360 nan 0.000 0.452 310 D N -0.267 120.165 120.400 0.053 0.000 2.349 310 D HA -0.054 4.586 4.640 -0.000 0.000 0.224 310 D C 0.829 177.219 176.300 0.150 0.000 1.029 310 D CA 0.475 54.475 54.000 0.001 0.000 0.879 310 D CB 0.017 40.791 40.800 -0.043 0.000 0.906 310 D HN 0.084 nan 8.370 nan 0.000 0.528 311 N N -0.582 118.245 118.700 0.211 0.000 2.177 311 N HA 0.015 4.755 4.740 -0.000 0.000 0.218 311 N C -1.009 174.689 175.510 0.313 0.000 1.182 311 N CA 0.106 53.331 53.050 0.292 0.000 0.882 311 N CB 0.859 39.440 38.487 0.155 0.000 1.052 311 N HN -0.223 nan 8.380 nan 0.000 0.519 312 T N 0.847 115.592 114.554 0.318 0.000 2.786 312 T HA 0.441 4.791 4.350 -0.000 0.000 0.283 312 T C 0.085 174.939 174.700 0.256 0.000 0.992 312 T CA -0.437 61.777 62.100 0.191 0.000 0.954 312 T CB 1.227 70.189 68.868 0.157 0.000 0.934 312 T HN -0.001 nan 8.240 nan 0.000 0.440 313 I N 3.437 124.011 120.570 0.007 0.000 2.396 313 I HA 0.253 4.423 4.170 -0.000 0.000 0.289 313 I C -0.171 175.975 176.117 0.049 0.000 1.056 313 I CA -0.393 60.872 61.300 -0.058 0.000 1.365 313 I CB 0.695 38.528 38.000 -0.279 0.000 1.407 313 I HN 0.235 nan 8.210 nan 0.000 0.509 314 V N 8.205 128.178 119.914 0.098 0.000 2.448 314 V HA 0.447 4.567 4.120 -0.000 0.000 0.295 314 V C 0.014 176.139 176.094 0.053 0.000 1.025 314 V CA -0.469 61.893 62.300 0.104 0.000 0.859 314 V CB 1.754 33.663 31.823 0.142 0.000 0.988 314 V HN 0.469 nan 8.190 nan 0.000 0.431 315 I N 5.352 125.915 120.570 -0.012 0.000 2.389 315 I HA 0.430 4.600 4.170 -0.000 0.000 0.288 315 I C -0.986 175.135 176.117 0.007 0.000 0.999 315 I CA -0.391 60.826 61.300 -0.137 0.000 1.129 315 I CB 1.622 39.298 38.000 -0.540 0.000 1.288 315 I HN 0.556 nan 8.210 nan 0.000 0.444 316 F N 6.691 126.612 119.950 -0.047 0.000 2.426 316 F HA 0.667 5.194 4.527 -0.000 0.000 0.348 316 F C -0.045 175.753 175.800 -0.004 0.000 1.124 316 F CA 0.129 58.132 58.000 0.004 0.000 1.008 316 F CB 1.438 40.465 39.000 0.046 0.000 1.139 316 F HN 0.414 nan 8.300 nan 0.000 0.452 317 T N 3.116 117.224 114.554 -0.743 0.000 2.671 317 T HA 0.551 4.901 4.350 -0.000 0.000 0.300 317 T C -1.592 172.791 174.700 -0.529 0.000 1.238 317 T CA -0.532 61.264 62.100 -0.507 0.000 1.020 317 T CB 1.581 70.334 68.868 -0.191 0.000 1.503 317 T HN 0.669 nan 8.240 nan 0.000 0.497 318 S N -0.312 115.289 115.700 -0.164 0.000 2.568 318 S HA 0.482 4.952 4.470 -0.000 0.000 0.293 318 S C 0.296 174.966 174.600 0.116 0.000 1.089 318 S CA -0.254 57.919 58.200 -0.045 0.000 0.945 318 S CB 1.484 64.686 63.200 0.003 0.000 1.077 318 S HN 0.811 nan 8.310 nan 0.000 0.485 319 D N 1.784 122.262 120.400 0.130 0.000 2.289 319 D HA 0.059 4.699 4.640 -0.000 0.000 0.207 319 D C 0.350 176.759 176.300 0.182 0.000 0.966 319 D CA 0.600 54.707 54.000 0.178 0.000 0.868 319 D CB -0.374 40.532 40.800 0.177 0.000 0.943 319 D HN 0.702 nan 8.370 nan 0.000 0.514 320 N N -1.405 117.395 118.700 0.168 0.000 3.227 320 N HA 0.243 4.983 4.740 -0.000 0.000 0.241 320 N C -0.007 175.589 175.510 0.144 0.000 1.480 320 N CA -0.624 52.518 53.050 0.154 0.000 0.886 320 N CB 0.731 39.306 38.487 0.146 0.000 1.406 320 N HN -0.011 nan 8.380 nan 0.000 0.514 321 G N -0.176 108.700 108.800 0.127 0.000 2.699 321 G HA2 0.408 4.368 3.960 -0.000 0.000 0.246 321 G HA3 0.408 4.368 3.960 -0.000 0.000 0.246 321 G C -2.432 172.548 174.900 0.134 0.000 1.219 321 G CA -0.554 44.623 45.100 0.127 0.000 0.866 321 G HN 0.518 nan 8.290 nan 0.000 0.572 322 P HA 0.303 nan 4.420 nan 0.000 0.280 322 P C -0.454 176.912 177.300 0.111 0.000 1.272 322 P CA -0.560 62.632 63.100 0.154 0.000 0.819 322 P CB 1.459 33.271 31.700 0.185 0.000 1.122 323 V N 1.294 121.271 119.914 0.105 0.000 2.455 323 V HA 0.194 4.314 4.120 -0.000 0.000 0.273 323 V C 1.416 177.499 176.094 -0.018 0.000 1.045 323 V CA 0.199 62.533 62.300 0.058 0.000 0.976 323 V CB -0.009 31.854 31.823 0.068 0.000 0.993 323 V HN 0.792 nan 8.190 nan 0.000 0.475 324 T N 2.872 117.415 114.554 -0.019 0.000 2.946 324 T HA 0.310 4.660 4.350 -0.000 0.000 0.295 324 T C 1.149 175.814 174.700 -0.058 0.000 1.143 324 T CA -0.522 61.541 62.100 -0.062 0.000 0.944 324 T CB 0.610 69.470 68.868 -0.013 0.000 1.800 324 T HN 0.421 nan 8.240 nan 0.000 0.590 325 R N 0.461 120.938 120.500 -0.038 0.000 2.285 325 R HA 0.072 4.412 4.340 -0.000 0.000 0.213 325 R C 1.189 177.479 176.300 -0.016 0.000 1.068 325 R CA 0.610 56.704 56.100 -0.010 0.000 1.004 325 R CB -0.179 30.109 30.300 -0.019 0.000 0.873 325 R HN 0.662 nan 8.270 nan 0.000 0.467 326 E N 1.616 121.808 120.200 -0.013 0.000 1.972 326 E HA 0.174 4.524 4.350 -0.000 0.000 0.292 326 E C -0.964 175.639 176.600 0.005 0.000 1.193 326 E CA -0.456 55.940 56.400 -0.007 0.000 1.228 326 E CB 0.259 29.961 29.700 0.004 0.000 1.167 326 E HN 0.209 nan 8.360 nan 0.000 0.479 327 A N 3.427 126.248 122.820 0.001 0.000 2.450 327 A HA 0.194 4.514 4.320 -0.000 0.000 0.255 327 A C 0.668 178.239 177.584 -0.021 0.000 1.096 327 A CA -0.187 51.848 52.037 -0.003 0.000 0.778 327 A CB 0.489 19.495 19.000 0.010 0.000 1.031 327 A HN 0.740 nan 8.150 nan 0.000 0.494 328 R N 0.461 120.938 120.500 -0.038 0.000 2.419 328 R HA 0.157 4.497 4.340 -0.000 0.000 0.235 328 R C -0.308 175.928 176.300 -0.107 0.000 0.899 328 R CA 0.308 56.385 56.100 -0.038 0.000 1.048 328 R CB 0.446 30.751 30.300 0.008 0.000 1.182 328 R HN 0.575 nan 8.270 nan 0.000 0.544 329 K N -0.067 120.199 120.400 -0.224 0.000 2.512 329 K HA 0.159 4.479 4.320 -0.000 0.000 0.263 329 K C 0.249 176.596 176.600 -0.421 0.000 0.966 329 K CA -0.560 55.456 56.287 -0.451 0.000 0.851 329 K CB 2.039 33.924 32.500 -1.026 0.000 1.395 329 K HN -0.263 nan 8.250 nan 0.000 0.440 330 V N 1.582 121.271 119.914 -0.376 0.000 2.759 330 V HA -0.212 3.908 4.120 -0.000 0.000 0.256 330 V C 1.280 177.288 176.094 -0.143 0.000 1.080 330 V CA 1.753 63.937 62.300 -0.194 0.000 1.101 330 V CB -0.546 31.202 31.823 -0.126 0.000 0.698 330 V HN 0.695 nan 8.190 nan 0.000 0.477 331 Y N -0.803 119.471 120.300 -0.044 0.000 2.490 331 Y HA 0.376 4.926 4.550 -0.000 0.000 0.281 331 Y C 1.743 177.712 175.900 0.114 0.000 1.174 331 Y CA 0.005 58.108 58.100 0.006 0.000 1.295 331 Y CB -0.576 37.864 38.460 -0.035 0.000 1.062 331 Y HN 0.319 nan 8.280 nan 0.000 0.522 332 E N 0.961 121.167 120.200 0.011 0.000 2.476 332 E HA 0.217 4.567 4.350 -0.000 0.000 0.196 332 E C -0.133 176.556 176.600 0.149 0.000 1.029 332 E CA -0.200 56.252 56.400 0.087 0.000 0.896 332 E CB 0.282 29.967 29.700 -0.025 0.000 1.012 332 E HN 0.430 nan 8.360 nan 0.000 0.475 333 L N 1.564 122.923 121.223 0.225 0.000 2.439 333 L HA 0.103 4.443 4.340 -0.000 0.000 0.269 333 L C 0.535 177.620 176.870 0.359 0.000 1.179 333 L CA -0.293 54.716 54.840 0.281 0.000 0.828 333 L CB 0.175 42.436 42.059 0.336 0.000 1.106 333 L HN 0.172 nan 8.230 nan 0.000 0.467 334 N N 1.522 120.348 118.700 0.210 0.000 2.740 334 N HA -0.173 4.567 4.740 -0.000 0.000 0.248 334 N C -0.922 174.644 175.510 0.094 0.000 1.062 334 N CA 0.720 53.807 53.050 0.062 0.000 0.704 334 N CB -1.180 37.107 38.487 -0.333 0.000 0.968 334 N HN 0.444 nan 8.380 nan 0.000 0.547 335 L N -1.118 120.164 121.223 0.100 0.000 2.286 335 L HA 0.824 5.164 4.340 -0.000 0.000 0.265 335 L C 0.820 177.514 176.870 -0.294 0.000 1.012 335 L CA -0.707 54.111 54.840 -0.037 0.000 0.818 335 L CB 1.778 43.865 42.059 0.047 0.000 1.337 335 L HN 0.068 nan 8.230 nan 0.000 0.438 336 A N 0.441 122.711 122.820 -0.917 0.000 2.758 336 A HA 0.466 4.786 4.320 -0.000 0.000 0.223 336 A C 0.272 177.462 177.584 -0.658 0.000 0.877 336 A CA -0.065 51.618 52.037 -0.590 0.000 1.152 336 A CB -0.122 18.695 19.000 -0.306 0.000 1.239 336 A HN 0.748 nan 8.150 nan 0.000 0.470 337 G N 0.215 108.565 108.800 -0.750 0.000 2.484 337 G HA2 0.428 4.388 3.960 -0.000 0.000 0.235 337 G HA3 0.428 4.388 3.960 -0.000 0.000 0.235 337 G C -0.267 174.659 174.900 0.043 0.000 1.282 337 G CA 0.186 45.202 45.100 -0.141 0.000 0.857 337 G HN 0.343 nan 8.290 nan 0.000 0.571 338 E N -0.180 120.122 120.200 0.171 0.000 2.256 338 E HA 0.342 4.692 4.350 -0.000 0.000 0.267 338 E C 0.393 177.091 176.600 0.164 0.000 0.892 338 E CA -0.576 55.910 56.400 0.142 0.000 0.775 338 E CB 1.854 31.643 29.700 0.147 0.000 1.207 338 E HN 0.548 nan 8.360 nan 0.000 0.420 339 T N -1.990 112.654 114.554 0.149 0.000 3.145 339 T HA 0.121 4.471 4.350 -0.000 0.000 0.281 339 T C 0.317 175.182 174.700 0.276 0.000 1.003 339 T CA -0.132 62.090 62.100 0.203 0.000 0.901 339 T CB -0.091 68.856 68.868 0.131 0.000 1.112 339 T HN 0.498 nan 8.240 nan 0.000 0.535 340 D N 0.954 121.495 120.400 0.235 0.000 2.772 340 D HA -0.140 4.500 4.640 -0.000 0.000 0.233 340 D C 1.351 177.799 176.300 0.247 0.000 1.143 340 D CA 1.783 55.932 54.000 0.248 0.000 0.700 340 D CB -1.466 39.580 40.800 0.410 0.000 1.076 340 D HN 0.999 nan 8.370 nan 0.000 0.430 341 G N -1.728 107.176 108.800 0.173 0.000 2.234 341 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.260 341 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.260 341 G C 0.540 175.595 174.900 0.259 0.000 0.987 341 G CA 0.289 45.492 45.100 0.173 0.000 0.625 341 G HN 0.603 nan 8.290 nan 0.000 0.532 342 L N 0.770 122.111 121.223 0.196 0.000 2.483 342 L HA 0.308 4.648 4.340 -0.000 0.000 0.276 342 L C 1.438 178.321 176.870 0.023 0.000 1.213 342 L CA -0.522 54.366 54.840 0.080 0.000 0.843 342 L CB 0.444 42.479 42.059 -0.040 0.000 1.107 342 L HN 0.307 nan 8.230 nan 0.000 0.487 343 R N 1.582 122.040 120.500 -0.070 0.000 2.590 343 R HA 0.402 4.742 4.340 -0.000 0.000 0.274 343 R C 0.377 176.654 176.300 -0.037 0.000 1.061 343 R CA 0.872 56.852 56.100 -0.202 0.000 1.081 343 R CB 0.443 30.408 30.300 -0.558 0.000 0.984 343 R HN 0.868 nan 8.270 nan 0.000 0.448 344 G N 2.224 111.021 108.800 -0.005 0.000 2.760 344 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.246 344 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.246 344 G C -1.100 173.882 174.900 0.136 0.000 1.359 344 G CA 0.004 45.228 45.100 0.207 0.000 0.861 344 G HN 0.888 nan 8.290 nan 0.000 0.541 345 R N -1.566 119.023 120.500 0.148 0.000 2.902 345 R HA 0.736 5.076 4.340 -0.000 0.000 0.264 345 R C 0.129 176.492 176.300 0.105 0.000 1.059 345 R CA -0.462 55.704 56.100 0.109 0.000 0.935 345 R CB 0.458 30.811 30.300 0.090 0.000 1.325 345 R HN 0.780 nan 8.270 nan 0.000 0.438 346 K N 0.638 121.099 120.400 0.101 0.000 2.548 346 K HA -0.158 4.162 4.320 -0.000 0.000 0.277 346 K C -0.671 175.984 176.600 0.093 0.000 1.001 346 K CA 1.856 58.205 56.287 0.102 0.000 1.102 346 K CB -0.036 32.532 32.500 0.113 0.000 0.848 346 K HN 0.724 nan 8.250 nan 0.000 0.487 347 D N 0.710 121.153 120.400 0.072 0.000 1.931 347 D HA -0.176 4.464 4.640 -0.000 0.000 0.201 347 D C -0.761 175.530 176.300 -0.014 0.000 1.305 347 D CA 1.387 55.407 54.000 0.033 0.000 1.398 347 D CB -1.074 39.759 40.800 0.055 0.000 1.389 347 D HN 0.729 nan 8.370 nan 0.000 0.614 348 N N 0.334 119.041 118.700 0.010 0.000 2.509 348 N HA 0.545 5.285 4.740 -0.000 0.000 0.287 348 N C 0.850 176.311 175.510 -0.082 0.000 1.121 348 N CA -0.411 52.617 53.050 -0.038 0.000 0.977 348 N CB 1.351 39.911 38.487 0.120 0.000 1.167 348 N HN -0.008 nan 8.380 nan 0.000 0.476 349 L N 0.216 121.309 121.223 -0.217 0.000 2.592 349 L HA 0.240 4.580 4.340 -0.000 0.000 0.227 349 L C 0.383 177.151 176.870 -0.170 0.000 1.127 349 L CA -0.172 54.543 54.840 -0.207 0.000 0.884 349 L CB 0.021 41.955 42.059 -0.209 0.000 1.065 349 L HN 0.465 nan 8.230 nan 0.000 0.457 350 W N 1.324 122.572 121.300 -0.087 0.000 2.089 350 W HA -0.018 4.642 4.660 -0.000 0.000 0.355 350 W C 1.659 178.103 176.519 -0.125 0.000 1.305 350 W CA -0.423 56.850 57.345 -0.120 0.000 1.281 350 W CB 0.341 29.715 29.460 -0.143 0.000 1.183 350 W HN 0.090 nan 8.180 nan 0.000 0.604 351 E N 1.247 121.519 120.200 0.119 0.000 2.114 351 E HA -0.184 4.166 4.350 -0.000 0.000 0.199 351 E C 2.096 178.690 176.600 -0.009 0.000 1.008 351 E CA 1.963 58.376 56.400 0.020 0.000 0.810 351 E CB -0.696 28.968 29.700 -0.060 0.000 0.739 351 E HN 0.673 nan 8.360 nan 0.000 0.456 352 G N 0.127 108.943 108.800 0.027 0.000 2.598 352 G HA2 -0.074 3.885 3.960 -0.000 0.000 0.215 352 G HA3 -0.074 3.885 3.960 -0.000 0.000 0.215 352 G C 1.492 176.435 174.900 0.072 0.000 1.131 352 G CA 0.708 45.834 45.100 0.043 0.000 0.785 352 G HN 0.375 nan 8.290 nan 0.000 0.539 353 G N 0.905 109.749 108.800 0.074 0.000 2.539 353 G HA2 0.093 4.053 3.960 -0.000 0.000 0.215 353 G HA3 0.093 4.053 3.960 -0.000 0.000 0.215 353 G C 1.610 176.535 174.900 0.043 0.000 1.141 353 G CA 0.955 46.094 45.100 0.065 0.000 0.806 353 G HN 0.598 nan 8.290 nan 0.000 0.533 354 I N -3.302 117.273 120.570 0.009 0.000 4.244 354 I HA 0.467 4.637 4.170 -0.000 0.000 0.318 354 I C 1.036 177.188 176.117 0.057 0.000 1.282 354 I CA -0.494 60.810 61.300 0.007 0.000 1.276 354 I CB 0.381 38.248 38.000 -0.222 0.000 1.183 354 I HN -0.198 nan 8.210 nan 0.000 0.431 355 R N 3.093 123.557 120.500 -0.060 0.000 2.347 355 R HA 0.485 4.825 4.340 -0.000 0.000 0.304 355 R C -0.768 175.508 176.300 -0.040 0.000 1.072 355 R CA -0.006 55.879 56.100 -0.357 0.000 0.980 355 R CB 0.986 30.855 30.300 -0.717 0.000 0.986 355 R HN 0.333 nan 8.270 nan 0.000 0.448 356 V N 1.658 121.658 119.914 0.144 0.000 3.114 356 V HA 0.644 4.764 4.120 -0.000 0.000 0.308 356 V C -2.658 173.613 176.094 0.296 0.000 1.168 356 V CA -2.686 59.777 62.300 0.270 0.000 1.015 356 V CB 1.918 33.891 31.823 0.250 0.000 1.050 356 V HN 0.707 nan 8.190 nan 0.000 0.433 357 P HA 0.435 nan 4.420 nan 0.000 0.267 357 P C -0.552 176.785 177.300 0.061 0.000 1.200 357 P CA 0.449 63.386 63.100 -0.272 0.000 0.772 357 P CB 1.030 32.446 31.700 -0.474 0.000 0.855 358 A N 3.420 126.392 122.820 0.254 0.000 2.488 358 A HA 0.725 5.045 4.320 -0.000 0.000 0.295 358 A C -1.004 176.876 177.584 0.493 0.000 1.045 358 A CA -0.565 51.565 52.037 0.156 0.000 0.703 358 A CB 0.996 19.727 19.000 -0.447 0.000 1.271 358 A HN 0.411 nan 8.150 nan 0.000 0.400 359 I N 2.387 123.213 120.570 0.427 0.000 2.582 359 I HA 0.546 4.716 4.170 -0.000 0.000 0.292 359 I C -0.868 175.440 176.117 0.318 0.000 1.066 359 I CA -0.536 60.991 61.300 0.377 0.000 1.053 359 I CB 2.247 40.426 38.000 0.299 0.000 1.241 359 I HN 0.689 nan 8.210 nan 0.000 0.421 360 I N 5.920 126.679 120.570 0.315 0.000 2.498 360 I HA 0.456 4.626 4.170 -0.000 0.000 0.290 360 I C -1.109 175.124 176.117 0.194 0.000 1.032 360 I CA -0.363 61.087 61.300 0.251 0.000 1.073 360 I CB 1.517 39.747 38.000 0.384 0.000 1.251 360 I HN 0.587 nan 8.210 nan 0.000 0.426 361 K N 6.221 126.725 120.400 0.173 0.000 2.422 361 K HA 0.361 4.681 4.320 -0.000 0.000 0.251 361 K C -2.113 174.646 176.600 0.264 0.000 0.933 361 K CA -0.607 55.786 56.287 0.177 0.000 0.798 361 K CB 1.965 34.543 32.500 0.130 0.000 1.238 361 K HN 0.574 nan 8.250 nan 0.000 0.428 362 Y N 3.637 123.998 120.300 0.101 0.000 2.517 362 Y HA 0.252 4.802 4.550 -0.000 0.000 0.346 362 Y C 0.178 176.134 175.900 0.093 0.000 1.113 362 Y CA -0.048 58.135 58.100 0.138 0.000 1.295 362 Y CB 0.378 38.951 38.460 0.188 0.000 1.094 362 Y HN 0.988 nan 8.280 nan 0.000 0.608 363 G N 4.130 112.960 108.800 0.050 0.000 2.685 363 G HA2 -0.428 3.532 3.960 -0.000 0.000 0.329 363 G HA3 -0.428 3.532 3.960 -0.000 0.000 0.329 363 G C 0.634 175.380 174.900 -0.257 0.000 1.271 363 G CA 1.073 46.066 45.100 -0.178 0.000 1.003 363 G HN 0.488 nan 8.290 nan 0.000 0.549 364 K N 0.811 120.909 120.400 -0.503 0.000 2.440 364 K HA 0.316 4.636 4.320 -0.000 0.000 0.206 364 K C 1.530 177.923 176.600 -0.345 0.000 1.025 364 K CA 0.218 56.296 56.287 -0.348 0.000 1.135 364 K CB 0.174 32.511 32.500 -0.271 0.000 0.856 364 K HN 0.586 nan 8.250 nan 0.000 0.502 365 H N -0.471 118.488 119.070 -0.185 0.000 2.544 365 H HA 0.156 4.712 4.556 -0.000 0.000 0.269 365 H C 0.331 175.643 175.328 -0.027 0.000 0.970 365 H CA 0.452 56.398 56.048 -0.170 0.000 1.219 365 H CB 0.359 29.876 29.762 -0.409 0.000 1.421 365 H HN 0.066 nan 8.280 nan 0.000 0.555 366 L N 1.344 122.623 121.223 0.094 0.000 2.334 366 L HA 0.375 4.715 4.340 -0.000 0.000 0.270 366 L C -2.201 174.699 176.870 0.050 0.000 1.018 366 L CA -2.289 52.617 54.840 0.110 0.000 0.811 366 L CB 1.296 43.449 42.059 0.157 0.000 1.271 366 L HN -0.186 nan 8.230 nan 0.000 0.443 367 P HA 0.091 nan 4.420 nan 0.000 0.267 367 P C -1.166 176.136 177.300 0.003 0.000 1.209 367 P CA -0.272 62.837 63.100 0.016 0.000 0.763 367 P CB 0.430 32.137 31.700 0.012 0.000 0.816 368 Q N 1.960 121.756 119.800 -0.007 0.000 2.296 368 Q HA 0.455 4.795 4.340 -0.000 0.000 0.262 368 Q C 1.419 177.406 176.000 -0.020 0.000 0.981 368 Q CA 1.123 56.919 55.803 -0.012 0.000 0.905 368 Q CB 0.079 28.807 28.738 -0.017 0.000 1.186 368 Q HN 0.747 nan 8.270 nan 0.000 0.399 369 G N 2.487 111.270 108.800 -0.027 0.000 2.153 369 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.252 369 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.252 369 G C 0.102 174.971 174.900 -0.051 0.000 0.994 369 G CA 0.303 45.380 45.100 -0.039 0.000 0.698 369 G HN 0.575 nan 8.290 nan 0.000 0.521 370 M N 0.947 120.514 119.600 -0.056 0.000 2.228 370 M HA 0.508 4.988 4.480 -0.000 0.000 0.351 370 M C -0.135 176.097 176.300 -0.112 0.000 1.233 370 M CA -0.013 55.245 55.300 -0.069 0.000 1.129 370 M CB 0.870 33.434 32.600 -0.060 0.000 1.604 370 M HN -0.004 nan 8.290 nan 0.000 0.457 371 V N 4.300 124.154 119.914 -0.100 0.000 2.448 371 V HA 0.402 4.522 4.120 -0.000 0.000 0.295 371 V C -0.310 175.730 176.094 -0.091 0.000 1.025 371 V CA -0.604 61.624 62.300 -0.119 0.000 0.859 371 V CB 1.549 33.315 31.823 -0.095 0.000 0.988 371 V HN 0.900 nan 8.190 nan 0.000 0.431 372 S N 2.294 117.923 115.700 -0.118 0.000 2.454 372 S HA 0.415 4.885 4.470 -0.000 0.000 0.306 372 S C 0.256 174.929 174.600 0.120 0.000 1.100 372 S CA -0.647 57.550 58.200 -0.005 0.000 1.087 372 S CB 1.152 64.341 63.200 -0.018 0.000 1.019 372 S HN 0.929 nan 8.310 nan 0.000 0.480 373 D N 2.628 123.102 120.400 0.123 0.000 2.368 373 D HA 0.084 4.724 4.640 -0.000 0.000 0.218 373 D C 0.025 176.424 176.300 0.165 0.000 1.112 373 D CA -0.158 53.929 54.000 0.146 0.000 0.834 373 D CB -0.327 40.528 40.800 0.092 0.000 0.953 373 D HN 0.382 nan 8.370 nan 0.000 0.505 374 T N 2.989 117.662 114.554 0.199 0.000 2.853 374 T HA 0.197 4.547 4.350 -0.000 0.000 0.298 374 T C -2.443 172.383 174.700 0.209 0.000 0.978 374 T CA -0.717 61.493 62.100 0.184 0.000 1.152 374 T CB 1.016 69.998 68.868 0.191 0.000 0.914 374 T HN 0.053 nan 8.240 nan 0.000 0.539 375 P HA 0.205 nan 4.420 nan 0.000 0.261 375 P C -0.576 176.797 177.300 0.122 0.000 1.203 375 P CA -0.123 63.088 63.100 0.185 0.000 0.767 375 P CB 0.265 32.040 31.700 0.125 0.000 0.785 376 V N 2.403 122.401 119.914 0.140 0.000 3.181 376 V HA 0.855 4.975 4.120 -0.000 0.000 0.308 376 V C -1.081 175.034 176.094 0.035 0.000 1.214 376 V CA -1.230 61.083 62.300 0.021 0.000 1.053 376 V CB 2.053 33.776 31.823 -0.168 0.000 1.069 376 V HN 0.620 nan 8.190 nan 0.000 0.441 377 Y N -1.323 118.753 120.300 -0.373 0.000 2.725 377 Y HA 0.753 5.303 4.550 0.000 0.000 0.333 377 Y C 1.072 176.656 175.900 -0.527 0.000 1.242 377 Y CA -0.798 56.962 58.100 -0.565 0.000 1.059 377 Y CB 1.205 39.541 38.460 -0.207 0.000 1.306 377 Y HN 0.934 nan 8.280 nan 0.000 0.454 378 G N 1.216 109.765 108.800 -0.417 0.000 2.507 378 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.221 378 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.221 378 G C 0.989 175.740 174.900 -0.249 0.000 1.119 378 G CA 1.396 46.449 45.100 -0.078 0.000 0.751 378 G HN 0.622 nan 8.290 nan 0.000 0.574 379 L N 0.470 121.285 121.223 -0.679 0.000 2.362 379 L HA -0.016 4.324 4.340 -0.000 0.000 0.219 379 L C 1.958 178.611 176.870 -0.362 0.000 1.134 379 L CA 0.692 55.194 54.840 -0.564 0.000 0.807 379 L CB -0.306 41.224 42.059 -0.881 0.000 0.927 379 L HN 0.094 nan 8.230 nan 0.000 0.447 380 D N -0.496 119.646 120.400 -0.430 0.000 2.269 380 D HA -0.150 4.490 4.640 -0.000 0.000 0.208 380 D C 1.933 178.118 176.300 -0.192 0.000 0.963 380 D CA 0.923 54.750 54.000 -0.289 0.000 0.864 380 D CB -0.089 40.503 40.800 -0.347 0.000 0.936 380 D HN 0.406 nan 8.370 nan 0.000 0.505 381 W N 0.707 121.993 121.300 -0.023 0.000 2.358 381 W HA -0.178 4.483 4.660 0.000 0.000 0.303 381 W C 2.415 178.899 176.519 -0.057 0.000 1.208 381 W CA -0.052 57.284 57.345 -0.015 0.000 1.274 381 W CB -0.360 29.111 29.460 0.020 0.000 1.138 381 W HN -0.053 nan 8.180 nan 0.000 0.515 382 M N 1.595 121.287 119.600 0.153 0.000 2.115 382 M HA -0.161 4.319 4.480 -0.000 0.000 0.258 382 M C -0.854 175.380 176.300 -0.110 0.000 1.071 382 M CA 2.105 57.422 55.300 0.028 0.000 1.100 382 M CB -1.957 30.657 32.600 0.023 0.000 1.292 382 M HN -0.306 nan 8.290 nan 0.000 0.415 383 P HA -0.108 nan 4.420 nan 0.000 0.218 383 P C 1.228 178.426 177.300 -0.169 0.000 1.148 383 P CA 1.758 64.724 63.100 -0.224 0.000 0.822 383 P CB -0.490 31.104 31.700 -0.176 0.000 0.784 384 T N 0.854 115.372 114.554 -0.060 0.000 2.708 384 T HA -0.082 4.268 4.350 -0.000 0.000 0.266 384 T C 1.969 176.641 174.700 -0.046 0.000 1.037 384 T CA 1.214 63.318 62.100 0.006 0.000 1.146 384 T CB -0.773 68.194 68.868 0.165 0.000 0.865 384 T HN 0.091 nan 8.240 nan 0.000 0.435 385 L N 0.678 121.874 121.223 -0.046 0.000 2.156 385 L HA 0.043 4.383 4.340 -0.000 0.000 0.208 385 L C 3.063 179.672 176.870 -0.435 0.000 1.095 385 L CA 0.816 55.592 54.840 -0.107 0.000 0.770 385 L CB -0.726 41.337 42.059 0.007 0.000 0.914 385 L HN 0.222 nan 8.230 nan 0.000 0.439 386 A N 0.594 122.951 122.820 -0.770 0.000 1.892 386 A HA -0.299 4.021 4.320 -0.000 0.000 0.218 386 A C 2.338 179.441 177.584 -0.801 0.000 1.188 386 A CA 2.342 53.495 52.037 -1.473 0.000 0.631 386 A CB -0.437 17.985 19.000 -0.964 0.000 0.822 386 A HN 0.245 nan 8.150 nan 0.000 0.447 387 K N -0.638 119.505 120.400 -0.428 0.000 2.025 387 K HA 0.046 4.366 4.320 -0.000 0.000 0.207 387 K C 2.024 178.517 176.600 -0.177 0.000 1.049 387 K CA 1.794 57.934 56.287 -0.245 0.000 0.933 387 K CB -0.351 32.060 32.500 -0.147 0.000 0.714 387 K HN 0.489 nan 8.250 nan 0.000 0.438 388 M N -0.686 118.822 119.600 -0.152 0.000 2.229 388 M HA -0.076 4.404 4.480 -0.000 0.000 0.264 388 M C 1.597 177.835 176.300 -0.102 0.000 1.063 388 M CA 1.459 56.703 55.300 -0.095 0.000 1.114 388 M CB -0.004 32.542 32.600 -0.090 0.000 1.387 388 M HN 0.148 nan 8.290 nan 0.000 0.420 389 M N -1.143 118.380 119.600 -0.128 0.000 2.333 389 M HA 0.135 4.615 4.480 -0.000 0.000 0.257 389 M C 0.060 176.399 176.300 0.065 0.000 1.078 389 M CA -0.042 55.260 55.300 0.004 0.000 1.005 389 M CB 0.421 33.095 32.600 0.124 0.000 1.444 389 M HN 0.197 nan 8.290 nan 0.000 0.496 390 N N 1.984 120.638 118.700 -0.077 0.000 2.746 390 N HA -0.167 4.573 4.740 -0.000 0.000 0.250 390 N C -1.524 174.017 175.510 0.052 0.000 1.055 390 N CA 0.686 53.711 53.050 -0.041 0.000 0.699 390 N CB -0.895 37.603 38.487 0.018 0.000 0.919 390 N HN 0.469 nan 8.380 nan 0.000 0.548 391 F N -0.386 119.522 119.950 -0.069 0.000 2.577 391 F HA 0.672 5.199 4.527 0.000 0.000 0.318 391 F C 0.220 175.968 175.800 -0.087 0.000 1.065 391 F CA -1.316 56.639 58.000 -0.075 0.000 0.929 391 F CB 0.830 39.767 39.000 -0.105 0.000 1.237 391 F HN -0.019 nan 8.300 nan 0.000 0.468 392 K N 2.814 123.278 120.400 0.107 0.000 2.118 392 K HA 0.601 4.921 4.320 -0.000 0.000 0.267 392 K C -1.037 175.607 176.600 0.074 0.000 0.991 392 K CA -0.648 55.639 56.287 0.001 0.000 0.916 392 K CB 1.725 34.230 32.500 0.008 0.000 1.041 392 K HN 0.821 nan 8.250 nan 0.000 0.455 393 L N 3.161 124.350 121.223 -0.058 0.000 2.417 393 L HA 0.271 4.611 4.340 -0.000 0.000 0.268 393 L C -1.714 175.189 176.870 0.054 0.000 1.158 393 L CA -2.222 52.572 54.840 -0.076 0.000 0.819 393 L CB 0.575 42.386 42.059 -0.413 0.000 1.112 393 L HN 0.628 nan 8.230 nan 0.000 0.458 394 P HA 0.019 nan 4.420 nan 0.000 0.266 394 P C 0.105 177.551 177.300 0.243 0.000 1.195 394 P CA -0.085 63.134 63.100 0.198 0.000 0.768 394 P CB 0.501 32.331 31.700 0.217 0.000 0.838 395 T N -3.281 111.356 114.554 0.137 0.000 3.129 395 T HA 0.036 4.386 4.350 -0.000 0.000 0.267 395 T C 0.639 175.381 174.700 0.071 0.000 1.018 395 T CA -0.209 61.958 62.100 0.112 0.000 0.903 395 T CB -0.397 68.510 68.868 0.065 0.000 1.067 395 T HN 0.406 nan 8.240 nan 0.000 0.549 396 D N 1.856 122.291 120.400 0.059 0.000 2.328 396 D HA 0.022 4.662 4.640 -0.000 0.000 0.221 396 D C 0.712 177.000 176.300 -0.021 0.000 1.072 396 D CA -0.386 53.624 54.000 0.016 0.000 0.850 396 D CB 0.152 40.959 40.800 0.011 0.000 0.922 396 D HN 0.659 nan 8.370 nan 0.000 0.516 397 R N -1.752 118.726 120.500 -0.038 0.000 2.710 397 R HA 0.465 4.805 4.340 -0.000 0.000 0.270 397 R C -1.281 174.885 176.300 -0.223 0.000 1.021 397 R CA -0.757 55.245 56.100 -0.162 0.000 0.889 397 R CB 0.216 30.352 30.300 -0.274 0.000 1.243 397 R HN -0.258 nan 8.270 nan 0.000 0.464 398 T N 2.345 116.755 114.554 -0.240 0.000 2.851 398 T HA 0.367 4.717 4.350 -0.000 0.000 0.298 398 T C -0.711 173.779 174.700 -0.349 0.000 0.977 398 T CA 0.217 62.217 62.100 -0.167 0.000 1.126 398 T CB -0.017 68.800 68.868 -0.085 0.000 0.916 398 T HN 0.244 nan 8.240 nan 0.000 0.529 399 F N 1.098 121.048 119.950 0.000 0.000 2.492 399 F HA 0.370 4.897 4.527 -0.000 0.000 0.327 399 F C 1.296 177.102 175.800 0.010 0.000 1.079 399 F CA -0.935 57.063 58.000 -0.003 0.000 0.967 399 F CB 1.558 40.550 39.000 -0.014 0.000 1.169 399 F HN 0.530 nan 8.300 nan 0.000 0.472 400 D N 1.096 121.611 120.400 0.191 0.000 2.366 400 D HA 0.120 4.760 4.640 -0.000 0.000 0.205 400 D C 0.986 177.377 176.300 0.153 0.000 1.022 400 D CA 0.346 54.451 54.000 0.175 0.000 0.868 400 D CB 0.601 41.492 40.800 0.151 0.000 0.953 400 D HN 0.663 nan 8.370 nan 0.000 0.514 401 G N 0.126 108.976 108.800 0.083 0.000 2.557 401 G HA2 0.396 4.356 3.960 -0.000 0.000 0.302 401 G HA3 0.396 4.356 3.960 -0.000 0.000 0.302 401 G C -0.142 174.776 174.900 0.031 0.000 1.311 401 G CA -0.267 44.853 45.100 0.034 0.000 1.030 401 G HN -0.201 nan 8.290 nan 0.000 0.509 402 E N -0.504 119.699 120.200 0.005 0.000 2.288 402 E HA 0.329 4.679 4.350 -0.000 0.000 0.268 402 E C -0.644 175.930 176.600 -0.044 0.000 0.885 402 E CA -0.657 55.736 56.400 -0.013 0.000 0.767 402 E CB 2.065 31.769 29.700 0.008 0.000 1.220 402 E HN 0.372 nan 8.360 nan 0.000 0.427 403 S N 1.883 117.555 115.700 -0.046 0.000 2.537 403 S HA 0.071 4.541 4.470 -0.000 0.000 0.286 403 S C 1.037 175.631 174.600 -0.010 0.000 1.299 403 S CA -0.185 57.991 58.200 -0.039 0.000 1.067 403 S CB 0.068 63.240 63.200 -0.047 0.000 0.864 403 S HN 0.442 nan 8.310 nan 0.000 0.494 404 L N 5.498 126.725 121.223 0.007 0.000 2.592 404 L HA 0.085 4.425 4.340 -0.000 0.000 0.227 404 L C 1.901 178.842 176.870 0.118 0.000 1.127 404 L CA -0.079 54.792 54.840 0.052 0.000 0.884 404 L CB -0.287 41.781 42.059 0.015 0.000 1.065 404 L HN 0.554 nan 8.230 nan 0.000 0.457 405 V N 0.875 120.842 119.914 0.090 0.000 2.324 405 V HA -0.202 3.918 4.120 -0.000 0.000 0.250 405 V C -0.081 176.067 176.094 0.091 0.000 1.060 405 V CA 2.061 64.418 62.300 0.095 0.000 1.042 405 V CB -1.538 30.318 31.823 0.055 0.000 0.650 405 V HN 0.387 nan 8.190 nan 0.000 0.450 406 P HA -0.109 nan 4.420 nan 0.000 0.216 406 P C 1.920 179.274 177.300 0.090 0.000 1.150 406 P CA 1.248 64.388 63.100 0.067 0.000 0.837 406 P CB -0.116 31.615 31.700 0.051 0.000 0.786 407 V N -0.337 119.650 119.914 0.122 0.000 2.295 407 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 407 V C 2.412 178.598 176.094 0.154 0.000 1.049 407 V CA 1.702 64.099 62.300 0.161 0.000 1.024 407 V CB -1.350 30.626 31.823 0.254 0.000 0.648 407 V HN 0.073 nan 8.190 nan 0.000 0.447 408 L N -0.388 120.940 121.223 0.175 0.000 2.275 408 L HA -0.116 4.224 4.340 -0.000 0.000 0.215 408 L C 2.112 179.046 176.870 0.108 0.000 1.119 408 L CA 1.333 56.265 54.840 0.154 0.000 0.790 408 L CB -0.538 41.639 42.059 0.196 0.000 0.919 408 L HN 0.394 nan 8.230 nan 0.000 0.443 409 E N -0.116 120.141 120.200 0.094 0.000 2.465 409 E HA 0.003 4.353 4.350 -0.000 0.000 0.191 409 E C -0.095 176.539 176.600 0.057 0.000 1.053 409 E CA -0.145 56.297 56.400 0.071 0.000 0.869 409 E CB 0.324 30.062 29.700 0.063 0.000 0.977 409 E HN 0.346 nan 8.360 nan 0.000 0.483 410 Q N 0.166 120.002 119.800 0.061 0.000 2.487 410 Q HA -0.204 4.136 4.340 -0.000 0.000 0.279 410 Q C -0.737 175.290 176.000 0.046 0.000 1.228 410 Q CA 0.803 56.636 55.803 0.050 0.000 0.873 410 Q CB -1.288 27.473 28.738 0.037 0.000 1.260 410 Q HN 0.174 nan 8.270 nan 0.000 0.471 411 K N -0.271 120.160 120.400 0.052 0.000 2.258 411 K HA 0.794 5.114 4.320 -0.000 0.000 0.236 411 K C -0.048 176.582 176.600 0.049 0.000 1.008 411 K CA -0.328 55.985 56.287 0.044 0.000 0.869 411 K CB 1.209 33.733 32.500 0.040 0.000 1.171 411 K HN 0.166 nan 8.250 nan 0.000 0.447 412 A N 1.164 124.009 122.820 0.041 0.000 2.445 412 A HA 0.205 4.525 4.320 -0.000 0.000 0.242 412 A C -0.653 176.957 177.584 0.043 0.000 1.075 412 A CA -0.224 51.838 52.037 0.042 0.000 0.777 412 A CB -0.007 19.013 19.000 0.033 0.000 1.013 412 A HN 0.520 nan 8.150 nan 0.000 0.493 413 L N 1.893 123.145 121.223 0.048 0.000 2.262 413 L HA 0.426 4.766 4.340 -0.000 0.000 0.288 413 L C -0.174 176.715 176.870 0.032 0.000 1.035 413 L CA 0.056 54.922 54.840 0.043 0.000 0.820 413 L CB 0.719 42.811 42.059 0.055 0.000 1.204 413 L HN 0.610 nan 8.230 nan 0.000 0.424 414 K N 5.367 125.781 120.400 0.023 0.000 2.266 414 K HA 0.375 4.695 4.320 -0.000 0.000 0.274 414 K C -0.458 176.149 176.600 0.012 0.000 1.090 414 K CA -0.212 56.085 56.287 0.017 0.000 0.925 414 K CB 0.669 33.176 32.500 0.012 0.000 1.225 414 K HN 0.452 nan 8.250 nan 0.000 0.458 415 R N 2.745 123.253 120.500 0.013 0.000 2.255 415 R HA 0.082 4.422 4.340 -0.000 0.000 0.326 415 R C 0.382 176.682 176.300 0.001 0.000 0.986 415 R CA -0.318 55.788 56.100 0.009 0.000 0.847 415 R CB 0.737 31.042 30.300 0.009 0.000 1.111 415 R HN 0.603 nan 8.270 nan 0.000 0.452 416 E N 2.822 123.018 120.200 -0.006 0.000 2.158 416 E HA -0.034 4.316 4.350 -0.000 0.000 0.191 416 E C -0.208 176.369 176.600 -0.038 0.000 0.982 416 E CA 1.135 57.522 56.400 -0.023 0.000 0.823 416 E CB 0.356 30.037 29.700 -0.032 0.000 0.766 416 E HN 0.466 nan 8.360 nan 0.000 0.468 417 K N 1.341 121.725 120.400 -0.027 0.000 2.208 417 K HA 0.343 4.663 4.320 -0.000 0.000 0.247 417 K C -2.448 174.175 176.600 0.038 0.000 0.953 417 K CA -2.047 54.221 56.287 -0.032 0.000 0.837 417 K CB 1.561 34.023 32.500 -0.065 0.000 1.131 417 K HN -0.122 nan 8.250 nan 0.000 0.431 418 P HA 0.068 nan 4.420 nan 0.000 0.272 418 P C -0.526 176.762 177.300 -0.019 0.000 1.240 418 P CA -0.259 62.871 63.100 0.051 0.000 0.791 418 P CB 0.497 32.252 31.700 0.092 0.000 0.978 419 L N 1.134 122.189 121.223 -0.281 0.000 2.380 419 L HA 0.345 4.685 4.340 -0.000 0.000 0.273 419 L C 0.824 177.257 176.870 -0.728 0.000 1.138 419 L CA -0.307 54.061 54.840 -0.787 0.000 0.832 419 L CB -0.030 41.364 42.059 -1.109 0.000 1.124 419 L HN 0.334 nan 8.230 nan 0.000 0.454 420 I N 2.407 122.443 120.570 -0.890 0.000 2.498 420 I HA 0.525 4.695 4.170 -0.000 0.000 0.290 420 I C -1.194 174.425 176.117 -0.831 0.000 1.032 420 I CA -0.002 60.868 61.300 -0.716 0.000 1.073 420 I CB 1.459 38.932 38.000 -0.878 0.000 1.251 420 I HN 0.246 nan 8.210 nan 0.000 0.426 421 F N 4.943 124.821 119.950 -0.121 0.000 2.576 421 F HA 0.885 5.412 4.527 -0.000 0.000 0.313 421 F C 0.465 176.092 175.800 -0.289 0.000 1.078 421 F CA -0.747 57.153 58.000 -0.166 0.000 0.921 421 F CB 2.291 41.210 39.000 -0.135 0.000 1.232 421 F HN 0.494 nan 8.300 nan 0.000 0.459 422 G N 1.234 109.842 108.800 -0.319 0.000 2.718 422 G HA2 0.719 4.679 3.960 -0.000 0.000 0.295 422 G HA3 0.719 4.679 3.960 -0.000 0.000 0.295 422 G C -2.463 172.266 174.900 -0.286 0.000 1.421 422 G CA -0.761 43.949 45.100 -0.650 0.000 0.902 422 G HN 0.557 nan 8.290 nan 0.000 0.501 423 I N 0.416 120.898 120.570 -0.146 0.000 2.680 423 I HA 0.474 4.644 4.170 -0.000 0.000 0.291 423 I C -1.955 174.063 176.117 -0.165 0.000 1.244 423 I CA -0.791 60.463 61.300 -0.077 0.000 1.042 423 I CB 2.604 40.523 38.000 -0.135 0.000 1.277 423 I HN 0.376 nan 8.210 nan 0.000 0.423 424 D N 8.042 128.270 120.400 -0.286 0.000 2.479 424 D HA 0.336 4.976 4.640 -0.000 0.000 0.247 424 D C -1.029 174.925 176.300 -0.576 0.000 1.119 424 D CA -0.036 53.702 54.000 -0.437 0.000 0.922 424 D CB 0.535 40.989 40.800 -0.577 0.000 1.014 424 D HN 0.560 nan 8.370 nan 0.000 0.510 425 M N 5.354 124.645 119.600 -0.515 0.000 1.998 425 M HA 0.350 4.830 4.480 -0.000 0.000 0.289 425 M C -2.753 173.307 176.300 -0.400 0.000 0.886 425 M CA -1.699 53.220 55.300 -0.635 0.000 0.853 425 M CB 1.747 34.025 32.600 -0.536 0.000 1.462 425 M HN 0.018 nan 8.290 nan 0.000 0.375 426 P HA 0.278 nan 4.420 nan 0.000 0.275 426 P C -0.436 176.644 177.300 -0.366 0.000 1.266 426 P CA 0.237 62.943 63.100 -0.656 0.000 0.793 426 P CB 0.252 31.145 31.700 -1.345 0.000 1.074 427 F N -3.938 116.067 119.950 0.092 0.000 3.057 427 F HA -0.187 4.340 4.527 0.000 0.000 0.287 427 F C 0.499 176.368 175.800 0.114 0.000 0.834 427 F CA 0.531 58.592 58.000 0.102 0.000 1.147 427 F CB -2.783 36.286 39.000 0.114 0.000 1.245 427 F HN 0.223 nan 8.300 nan 0.000 0.509 428 Q N 0.990 120.901 119.800 0.186 0.000 2.259 428 Q HA 0.205 4.545 4.340 -0.000 0.000 0.246 428 Q C 1.340 177.411 176.000 0.119 0.000 0.920 428 Q CA -0.266 55.631 55.803 0.157 0.000 0.895 428 Q CB 0.905 29.707 28.738 0.107 0.000 1.220 428 Q HN 0.142 nan 8.270 nan 0.000 0.439 429 D N 0.715 121.177 120.400 0.103 0.000 2.106 429 D HA -0.127 4.513 4.640 -0.000 0.000 0.191 429 D C -0.385 175.959 176.300 0.072 0.000 0.997 429 D CA 1.512 55.559 54.000 0.079 0.000 0.834 429 D CB 0.254 41.091 40.800 0.061 0.000 0.956 429 D HN 0.427 nan 8.370 nan 0.000 0.448 430 D N 1.198 121.643 120.400 0.075 0.000 2.373 430 D HA 0.234 4.874 4.640 -0.000 0.000 0.227 430 D C -2.346 173.992 176.300 0.063 0.000 1.091 430 D CA -1.478 52.569 54.000 0.078 0.000 0.840 430 D CB 1.346 42.206 40.800 0.101 0.000 1.060 430 D HN -0.035 nan 8.370 nan 0.000 0.502 431 P HA -0.027 nan 4.420 nan 0.000 0.261 431 P C 0.297 177.586 177.300 -0.018 0.000 1.183 431 P CA 0.088 63.194 63.100 0.010 0.000 0.761 431 P CB 0.318 32.020 31.700 0.004 0.000 0.785 432 T N 0.233 114.754 114.554 -0.055 0.000 2.860 432 T HA 0.199 4.549 4.350 -0.000 0.000 0.299 432 T C 0.150 174.779 174.700 -0.119 0.000 1.045 432 T CA -0.730 61.310 62.100 -0.101 0.000 1.071 432 T CB 0.678 69.472 68.868 -0.124 0.000 0.985 432 T HN 0.227 nan 8.240 nan 0.000 0.537 433 D N 0.223 120.531 120.400 -0.153 0.000 2.388 433 D HA 0.237 4.877 4.640 -0.000 0.000 0.254 433 D C 0.857 177.081 176.300 -0.127 0.000 1.111 433 D CA -0.515 53.411 54.000 -0.124 0.000 0.993 433 D CB 1.817 42.539 40.800 -0.131 0.000 1.118 433 D HN 0.878 nan 8.370 nan 0.000 0.502 434 E N -0.447 119.709 120.200 -0.074 0.000 2.332 434 E HA 0.052 4.402 4.350 -0.000 0.000 0.202 434 E C -0.527 175.918 176.600 -0.259 0.000 0.877 434 E CA 0.005 56.320 56.400 -0.141 0.000 0.979 434 E CB 0.633 30.298 29.700 -0.058 0.000 0.969 434 E HN 0.350 nan 8.360 nan 0.000 0.495 435 W N 0.027 121.294 121.300 -0.055 0.000 2.936 435 W HA 0.700 5.360 4.660 0.000 0.000 0.338 435 W C -0.844 175.605 176.519 -0.117 0.000 1.121 435 W CA -0.713 56.591 57.345 -0.069 0.000 1.209 435 W CB 1.845 31.275 29.460 -0.049 0.000 1.420 435 W HN -0.101 nan 8.180 nan 0.000 0.516 436 A N 2.967 125.919 122.820 0.220 0.000 2.449 436 A HA 0.863 5.183 4.320 -0.000 0.000 0.302 436 A C -1.886 175.835 177.584 0.228 0.000 1.048 436 A CA -0.798 51.338 52.037 0.165 0.000 0.708 436 A CB 1.491 20.556 19.000 0.108 0.000 1.274 436 A HN 0.770 nan 8.150 nan 0.000 0.410 437 I N 1.134 121.792 120.570 0.146 0.000 2.498 437 I HA 0.748 4.918 4.170 -0.000 0.000 0.290 437 I C -0.731 175.448 176.117 0.102 0.000 1.032 437 I CA -0.822 60.543 61.300 0.107 0.000 1.073 437 I CB 1.628 39.701 38.000 0.121 0.000 1.251 437 I HN 0.714 nan 8.210 nan 0.000 0.426 438 R N 4.957 125.486 120.500 0.048 0.000 2.439 438 R HA 0.490 4.830 4.340 -0.000 0.000 0.310 438 R C -1.870 174.441 176.300 0.018 0.000 0.955 438 R CA -0.376 55.742 56.100 0.030 0.000 0.853 438 R CB 1.069 31.346 30.300 -0.040 0.000 1.171 438 R HN 0.599 nan 8.270 nan 0.000 0.449 439 D N 3.703 124.160 120.400 0.094 0.000 2.402 439 D HA 0.497 5.137 4.640 -0.000 0.000 0.252 439 D C 0.451 176.852 176.300 0.168 0.000 1.294 439 D CA 0.851 54.916 54.000 0.109 0.000 0.948 439 D CB 1.086 41.958 40.800 0.120 0.000 1.202 439 D HN 0.742 nan 8.370 nan 0.000 0.561 440 G N 4.007 112.866 108.800 0.099 0.000 2.556 440 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.283 440 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.283 440 G C 0.616 175.527 174.900 0.019 0.000 1.177 440 G CA 0.368 45.517 45.100 0.082 0.000 0.978 440 G HN 0.534 nan 8.290 nan 0.000 0.554 441 D N 0.522 120.865 120.400 -0.095 0.000 2.349 441 D HA 0.122 4.762 4.640 -0.000 0.000 0.215 441 D C 0.595 176.707 176.300 -0.314 0.000 1.016 441 D CA 0.408 54.253 54.000 -0.258 0.000 0.870 441 D CB 0.030 40.584 40.800 -0.411 0.000 0.917 441 D HN 0.368 nan 8.370 nan 0.000 0.524 442 W N 1.638 122.960 121.300 0.036 0.000 2.365 442 W HA 0.337 4.997 4.660 -0.000 0.000 0.316 442 W C 0.759 177.307 176.519 0.048 0.000 1.164 442 W CA -0.790 56.583 57.345 0.047 0.000 1.204 442 W CB 1.257 30.739 29.460 0.036 0.000 1.213 442 W HN -0.442 nan 8.180 nan 0.000 0.539 443 K N 4.327 124.926 120.400 0.332 0.000 2.507 443 K HA 0.509 4.829 4.320 -0.000 0.000 0.251 443 K C -1.421 175.305 176.600 0.211 0.000 0.943 443 K CA -0.719 55.705 56.287 0.227 0.000 0.794 443 K CB 1.468 34.086 32.500 0.197 0.000 1.188 443 K HN 0.679 nan 8.250 nan 0.000 0.428 444 M N 6.326 126.007 119.600 0.135 0.000 2.383 444 M HA 0.490 4.970 4.480 -0.000 0.000 0.325 444 M C -1.597 174.722 176.300 0.032 0.000 1.092 444 M CA -0.737 54.599 55.300 0.061 0.000 0.961 444 M CB 1.220 33.837 32.600 0.028 0.000 1.672 444 M HN 0.597 nan 8.290 nan 0.000 0.438 445 I N 5.550 126.136 120.570 0.026 0.000 2.433 445 I HA 0.433 4.603 4.170 -0.000 0.000 0.292 445 I C -0.795 175.277 176.117 -0.075 0.000 1.001 445 I CA -0.881 60.431 61.300 0.020 0.000 1.119 445 I CB 1.831 39.906 38.000 0.124 0.000 1.289 445 I HN 0.564 nan 8.210 nan 0.000 0.438 446 I N 4.770 125.259 120.570 -0.134 0.000 2.404 446 I HA 0.260 4.430 4.170 -0.000 0.000 0.293 446 I C -0.106 175.973 176.117 -0.063 0.000 0.992 446 I CA -0.579 60.602 61.300 -0.198 0.000 1.149 446 I CB 1.383 39.077 38.000 -0.509 0.000 1.315 446 I HN 0.573 nan 8.210 nan 0.000 0.446 447 D N 5.886 126.242 120.400 -0.074 0.000 2.414 447 D HA 0.113 4.753 4.640 -0.000 0.000 0.259 447 D C 0.594 176.913 176.300 0.031 0.000 1.269 447 D CA -0.392 53.580 54.000 -0.045 0.000 1.028 447 D CB 0.611 41.359 40.800 -0.087 0.000 1.093 447 D HN 0.388 nan 8.370 nan 0.000 0.545 448 R N -0.825 119.676 120.500 0.003 0.000 2.343 448 R HA 0.095 4.435 4.340 -0.000 0.000 0.202 448 R C 0.424 176.753 176.300 0.049 0.000 1.023 448 R CA 0.238 56.349 56.100 0.018 0.000 1.084 448 R CB -0.530 29.739 30.300 -0.051 0.000 0.956 448 R HN 0.410 nan 8.270 nan 0.000 0.478 449 N N 0.368 119.103 118.700 0.060 0.000 2.387 449 N HA 0.039 4.779 4.740 -0.000 0.000 0.259 449 N C -0.706 174.861 175.510 0.094 0.000 1.369 449 N CA -0.138 52.948 53.050 0.060 0.000 0.867 449 N CB 0.615 39.113 38.487 0.019 0.000 1.341 449 N HN 0.016 nan 8.380 nan 0.000 0.495 450 N N 1.162 119.958 118.700 0.160 0.000 2.753 450 N HA -0.196 4.544 4.740 -0.000 0.000 0.251 450 N C -0.347 175.272 175.510 0.183 0.000 1.097 450 N CA 1.146 54.343 53.050 0.245 0.000 0.786 450 N CB -0.948 37.705 38.487 0.277 0.000 1.137 450 N HN 0.451 nan 8.380 nan 0.000 0.566 451 K N 0.881 121.297 120.400 0.026 0.000 2.213 451 K HA 0.372 4.692 4.320 -0.000 0.000 0.270 451 K C -2.638 173.866 176.600 -0.160 0.000 1.002 451 K CA -1.984 54.245 56.287 -0.097 0.000 0.868 451 K CB 1.218 33.653 32.500 -0.108 0.000 1.093 451 K HN -0.216 nan 8.250 nan 0.000 0.454 452 P HA -0.012 nan 4.420 nan 0.000 0.263 452 P C -0.608 176.538 177.300 -0.256 0.000 1.195 452 P CA 0.202 63.166 63.100 -0.228 0.000 0.762 452 P CB 0.938 32.495 31.700 -0.239 0.000 0.799 453 K N 2.499 122.714 120.400 -0.309 0.000 2.329 453 K HA 0.095 4.415 4.320 -0.000 0.000 0.198 453 K C -0.291 175.886 176.600 -0.704 0.000 1.085 453 K CA 0.526 56.492 56.287 -0.535 0.000 0.961 453 K CB 0.377 32.464 32.500 -0.687 0.000 0.971 453 K HN 0.354 nan 8.250 nan 0.000 0.502 454 Y N -0.001 120.204 120.300 -0.157 0.000 2.512 454 Y HA 0.507 5.057 4.550 -0.000 0.000 0.348 454 Y C -1.096 174.586 175.900 -0.362 0.000 0.990 454 Y CA -1.364 56.557 58.100 -0.298 0.000 1.033 454 Y CB 1.890 40.174 38.460 -0.293 0.000 1.259 454 Y HN -0.162 nan 8.280 nan 0.000 0.461 455 L N 3.051 124.073 121.223 -0.335 0.000 2.476 455 L HA 0.631 4.971 4.340 -0.000 0.000 0.269 455 L C -2.274 174.465 176.870 -0.218 0.000 0.965 455 L CA -0.785 53.947 54.840 -0.180 0.000 0.845 455 L CB 0.906 42.945 42.059 -0.034 0.000 1.259 455 L HN 0.528 nan 8.230 nan 0.000 0.403 456 Y N 2.834 123.286 120.300 0.253 0.000 2.485 456 Y HA 0.494 5.044 4.550 -0.000 0.000 0.345 456 Y C 0.187 176.173 175.900 0.143 0.000 0.998 456 Y CA -0.908 57.300 58.100 0.181 0.000 1.059 456 Y CB 1.650 40.173 38.460 0.106 0.000 1.234 456 Y HN 0.571 nan 8.280 nan 0.000 0.461 457 N N 3.180 121.952 118.700 0.121 0.000 2.462 457 N HA 0.175 4.915 4.740 -0.000 0.000 0.242 457 N C 0.291 175.693 175.510 -0.180 0.000 1.010 457 N CA 0.090 52.936 53.050 -0.341 0.000 0.939 457 N CB 0.741 38.826 38.487 -0.669 0.000 1.127 457 N HN 0.844 nan 8.380 nan 0.000 0.509 458 L N 2.933 124.059 121.223 -0.161 0.000 2.376 458 L HA -0.064 4.276 4.340 -0.000 0.000 0.219 458 L C 2.322 179.095 176.870 -0.161 0.000 1.133 458 L CA 0.754 55.516 54.840 -0.130 0.000 0.816 458 L CB -0.070 41.937 42.059 -0.087 0.000 0.933 458 L HN 0.532 nan 8.230 nan 0.000 0.449 459 K N 0.435 120.720 120.400 -0.191 0.000 2.155 459 K HA -0.117 4.203 4.320 -0.000 0.000 0.203 459 K C 2.054 178.578 176.600 -0.127 0.000 1.052 459 K CA 1.548 57.742 56.287 -0.155 0.000 0.948 459 K CB 0.157 32.554 32.500 -0.172 0.000 0.728 459 K HN 0.314 nan 8.250 nan 0.000 0.448 460 S N -0.955 114.664 115.700 -0.135 0.000 2.524 460 S HA 0.028 4.498 4.470 -0.000 0.000 0.215 460 S C 0.047 174.614 174.600 -0.056 0.000 0.986 460 S CA -0.142 58.010 58.200 -0.081 0.000 0.911 460 S CB 0.447 63.606 63.200 -0.069 0.000 0.805 460 S HN 0.268 nan 8.310 nan 0.000 0.501 461 D N 0.900 121.249 120.400 -0.085 0.000 2.714 461 D HA 0.273 4.913 4.640 -0.000 0.000 0.264 461 D C 0.711 176.895 176.300 -0.192 0.000 1.231 461 D CA -0.408 53.546 54.000 -0.076 0.000 0.802 461 D CB 0.477 41.274 40.800 -0.005 0.000 1.319 461 D HN 0.069 nan 8.370 nan 0.000 0.528 462 R N 0.592 120.913 120.500 -0.298 0.000 2.117 462 R HA -0.173 4.167 4.340 -0.000 0.000 0.243 462 R C 0.443 176.327 176.300 -0.695 0.000 1.143 462 R CA 1.570 57.329 56.100 -0.569 0.000 0.968 462 R CB 0.081 29.859 30.300 -0.871 0.000 0.863 462 R HN 0.351 nan 8.270 nan 0.000 0.444 463 Y N 0.076 120.258 120.300 -0.197 0.000 2.485 463 Y HA 0.227 4.777 4.550 -0.000 0.000 0.260 463 Y C -0.196 175.451 175.900 -0.422 0.000 1.173 463 Y CA -0.177 57.770 58.100 -0.256 0.000 1.252 463 Y CB 0.349 38.691 38.460 -0.196 0.000 1.123 463 Y HN 0.087 nan 8.280 nan 0.000 0.524 464 E N 0.106 120.025 120.200 -0.469 0.000 2.320 464 E HA -0.223 4.127 4.350 -0.000 0.000 0.234 464 E C 0.565 176.759 176.600 -0.677 0.000 1.183 464 E CA 0.788 56.556 56.400 -1.053 0.000 0.713 464 E CB -1.445 27.487 29.700 -1.280 0.000 1.226 464 E HN 0.589 nan 8.360 nan 0.000 0.382 465 T N -3.062 111.347 114.554 -0.242 0.000 3.044 465 T HA 0.330 4.680 4.350 -0.000 0.000 0.260 465 T C 0.580 175.339 174.700 0.099 0.000 1.019 465 T CA -0.310 61.752 62.100 -0.063 0.000 0.921 465 T CB 0.302 69.129 68.868 -0.068 0.000 1.053 465 T HN 0.165 nan 8.240 nan 0.000 0.533 466 L N 2.732 124.072 121.223 0.194 0.000 2.599 466 L HA 0.464 4.804 4.340 -0.000 0.000 0.241 466 L C -0.109 176.961 176.870 0.333 0.000 1.207 466 L CA -0.856 54.117 54.840 0.223 0.000 0.987 466 L CB 0.374 42.524 42.059 0.150 0.000 1.318 466 L HN 0.071 nan 8.230 nan 0.000 0.458 467 N N 1.823 120.721 118.700 0.329 0.000 2.447 467 N HA 0.045 4.785 4.740 -0.000 0.000 0.263 467 N C 0.498 176.072 175.510 0.106 0.000 1.226 467 N CA 0.420 53.581 53.050 0.184 0.000 0.906 467 N CB 0.966 39.584 38.487 0.218 0.000 1.060 467 N HN 0.476 nan 8.380 nan 0.000 0.468 468 L N 3.697 124.954 121.223 0.057 0.000 2.640 468 L HA 0.262 4.602 4.340 -0.000 0.000 0.230 468 L C 0.421 177.300 176.870 0.015 0.000 1.123 468 L CA -0.415 54.470 54.840 0.075 0.000 0.900 468 L CB 0.034 42.190 42.059 0.161 0.000 1.146 468 L HN 0.469 nan 8.230 nan 0.000 0.484 469 I N 1.748 122.300 120.570 -0.029 0.000 2.741 469 I HA -0.044 4.126 4.170 -0.000 0.000 0.288 469 I C 1.550 177.642 176.117 -0.043 0.000 1.192 469 I CA 1.351 62.613 61.300 -0.062 0.000 1.426 469 I CB -0.196 37.741 38.000 -0.105 0.000 1.367 469 I HN 0.460 nan 8.210 nan 0.000 0.563 470 G N 5.974 114.743 108.800 -0.052 0.000 2.179 470 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.260 470 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.260 470 G C 0.959 175.846 174.900 -0.021 0.000 0.977 470 G CA 0.378 45.454 45.100 -0.041 0.000 0.641 470 G HN 0.651 nan 8.290 nan 0.000 0.533 471 K N -0.988 119.406 120.400 -0.010 0.000 2.450 471 K HA 0.207 4.527 4.320 -0.000 0.000 0.206 471 K C 0.609 177.214 176.600 0.008 0.000 1.148 471 K CA -0.082 56.211 56.287 0.009 0.000 1.014 471 K CB 0.662 33.183 32.500 0.035 0.000 0.966 471 K HN 0.063 nan 8.250 nan 0.000 0.566 472 K N 1.411 121.801 120.400 -0.017 0.000 3.029 472 K HA 0.177 4.497 4.320 -0.000 0.000 0.169 472 K C -2.455 174.090 176.600 -0.091 0.000 1.090 472 K CA -1.420 54.839 56.287 -0.046 0.000 0.883 472 K CB 1.559 34.027 32.500 -0.053 0.000 1.080 472 K HN -0.136 nan 8.250 nan 0.000 0.613 473 P HA -0.212 nan 4.420 nan 0.000 0.216 473 P C 0.806 178.054 177.300 -0.087 0.000 1.150 473 P CA 1.449 64.506 63.100 -0.072 0.000 0.837 473 P CB 0.280 31.949 31.700 -0.052 0.000 0.786 474 D N 0.030 120.372 120.400 -0.096 0.000 2.097 474 D HA -0.135 4.505 4.640 -0.000 0.000 0.197 474 D C 2.008 178.209 176.300 -0.164 0.000 0.984 474 D CA 0.962 54.898 54.000 -0.106 0.000 0.826 474 D CB -1.019 39.726 40.800 -0.092 0.000 0.973 474 D HN 0.097 nan 8.370 nan 0.000 0.460 475 I N 1.358 121.774 120.570 -0.257 0.000 2.252 475 I HA -0.154 4.016 4.170 -0.000 0.000 0.245 475 I C 2.358 178.295 176.117 -0.299 0.000 1.102 475 I CA 0.849 61.890 61.300 -0.433 0.000 1.385 475 I CB -1.000 36.483 38.000 -0.861 0.000 1.064 475 I HN 0.096 nan 8.210 nan 0.000 0.414 476 E N 1.017 121.094 120.200 -0.205 0.000 2.070 476 E HA -0.255 4.095 4.350 -0.000 0.000 0.197 476 E C 2.170 178.743 176.600 -0.046 0.000 1.004 476 E CA 1.502 57.832 56.400 -0.117 0.000 0.805 476 E CB -0.064 29.571 29.700 -0.107 0.000 0.744 476 E HN 0.468 nan 8.360 nan 0.000 0.451 477 K N 0.419 120.790 120.400 -0.048 0.000 2.103 477 K HA -0.125 4.195 4.320 -0.000 0.000 0.204 477 K C 2.279 178.891 176.600 0.020 0.000 1.052 477 K CA 0.961 57.257 56.287 0.016 0.000 0.945 477 K CB 0.006 32.501 32.500 -0.009 0.000 0.722 477 K HN 0.105 nan 8.250 nan 0.000 0.443 478 Q N -0.060 119.712 119.800 -0.047 0.000 2.020 478 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 478 Q C 2.159 178.140 176.000 -0.030 0.000 0.982 478 Q CA 1.290 57.058 55.803 -0.058 0.000 0.838 478 Q CB 0.011 28.681 28.738 -0.114 0.000 0.899 478 Q HN 0.242 nan 8.270 nan 0.000 0.423 479 M N -0.777 118.802 119.600 -0.036 0.000 2.132 479 M HA -0.167 4.313 4.480 -0.000 0.000 0.263 479 M C 2.076 178.445 176.300 0.116 0.000 1.065 479 M CA 1.367 56.679 55.300 0.021 0.000 1.122 479 M CB -0.846 31.752 32.600 -0.002 0.000 1.365 479 M HN 0.257 nan 8.290 nan 0.000 0.411 480 Y N 1.118 121.419 120.300 0.002 0.000 2.181 480 Y HA -0.093 4.457 4.550 -0.000 0.000 0.288 480 Y C 2.327 178.276 175.900 0.082 0.000 1.146 480 Y CA 1.691 59.832 58.100 0.069 0.000 1.164 480 Y CB -0.850 37.622 38.460 0.021 0.000 0.982 480 Y HN 0.228 nan 8.280 nan 0.000 0.515 481 G N -0.063 108.717 108.800 -0.033 0.000 2.418 481 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 481 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 481 G C 1.740 176.548 174.900 -0.154 0.000 1.158 481 G CA 0.886 45.904 45.100 -0.136 0.000 0.771 481 G HN 0.363 nan 8.290 nan 0.000 0.545 482 K N -0.508 119.850 120.400 -0.069 0.000 2.097 482 K HA -0.043 4.277 4.320 -0.000 0.000 0.206 482 K C 2.156 178.738 176.600 -0.029 0.000 1.049 482 K CA 1.116 57.376 56.287 -0.044 0.000 0.933 482 K CB -0.311 32.196 32.500 0.011 0.000 0.717 482 K HN 0.351 nan 8.250 nan 0.000 0.442 483 F N 2.090 121.943 119.950 -0.162 0.000 2.069 483 F HA -0.186 4.341 4.527 -0.000 0.000 0.298 483 F C 1.737 177.334 175.800 -0.337 0.000 1.113 483 F CA 1.377 59.242 58.000 -0.225 0.000 1.214 483 F CB -0.464 38.401 39.000 -0.225 0.000 0.978 483 F HN -0.123 nan 8.300 nan 0.000 0.474 484 L N 0.344 121.046 121.223 -0.869 0.000 2.042 484 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 484 L C 2.671 179.191 176.870 -0.584 0.000 1.076 484 L CA 1.916 56.205 54.840 -0.917 0.000 0.749 484 L CB -0.817 40.830 42.059 -0.686 0.000 0.893 484 L HN 0.204 nan 8.230 nan 0.000 0.432 485 K N -0.510 119.659 120.400 -0.385 0.000 2.057 485 K HA -0.234 4.086 4.320 -0.000 0.000 0.207 485 K C 2.206 178.670 176.600 -0.226 0.000 1.049 485 K CA 1.568 57.695 56.287 -0.266 0.000 0.931 485 K CB -0.208 32.167 32.500 -0.208 0.000 0.714 485 K HN 0.228 nan 8.250 nan 0.000 0.440 486 Y N 0.943 121.045 120.300 -0.330 0.000 2.184 486 Y HA -0.219 4.331 4.550 -0.000 0.000 0.290 486 Y C 2.513 178.201 175.900 -0.353 0.000 1.129 486 Y CA 1.354 59.292 58.100 -0.270 0.000 1.144 486 Y CB 0.158 38.501 38.460 -0.194 0.000 0.995 486 Y HN 0.033 nan 8.280 nan 0.000 0.513 487 K N -0.409 119.711 120.400 -0.467 0.000 2.032 487 K HA -0.202 4.118 4.320 -0.000 0.000 0.209 487 K C 1.821 178.231 176.600 -0.316 0.000 1.048 487 K CA 2.062 57.939 56.287 -0.682 0.000 0.927 487 K CB -0.293 31.404 32.500 -1.338 0.000 0.712 487 K HN 0.229 nan 8.250 nan 0.000 0.441 488 T N 0.877 115.245 114.554 -0.310 0.000 2.684 488 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 488 T C 1.385 176.028 174.700 -0.095 0.000 1.036 488 T CA 1.931 63.920 62.100 -0.184 0.000 1.148 488 T CB -0.447 68.302 68.868 -0.198 0.000 0.863 488 T HN 0.444 nan 8.240 nan 0.000 0.436 489 D N 0.411 120.763 120.400 -0.079 0.000 2.149 489 D HA -0.047 4.593 4.640 -0.000 0.000 0.198 489 D C 1.949 178.269 176.300 0.033 0.000 0.990 489 D CA 0.832 54.812 54.000 -0.032 0.000 0.839 489 D CB -0.211 40.555 40.800 -0.056 0.000 0.948 489 D HN 0.374 nan 8.370 nan 0.000 0.460 490 I N 0.346 120.969 120.570 0.089 0.000 2.233 490 I HA -0.180 3.990 4.170 -0.000 0.000 0.243 490 I C 1.655 177.852 176.117 0.133 0.000 1.093 490 I CA 0.919 62.307 61.300 0.146 0.000 1.380 490 I CB -0.173 37.969 38.000 0.238 0.000 1.067 490 I HN -0.014 nan 8.210 nan 0.000 0.413 491 D N 0.751 121.217 120.400 0.109 0.000 2.178 491 D HA -0.137 4.503 4.640 -0.000 0.000 0.202 491 D C 1.233 177.559 176.300 0.044 0.000 0.974 491 D CA 1.219 55.275 54.000 0.093 0.000 0.841 491 D CB -0.477 40.360 40.800 0.063 0.000 0.953 491 D HN 0.422 nan 8.370 nan 0.000 0.478 492 N N 0.428 119.138 118.700 0.017 0.000 2.276 492 N HA 0.006 4.746 4.740 -0.000 0.000 0.212 492 N C -0.418 175.092 175.510 -0.001 0.000 1.127 492 N CA -0.259 52.791 53.050 -0.000 0.000 0.834 492 N CB 0.431 38.905 38.487 -0.022 0.000 1.014 492 N HN 0.051 nan 8.380 nan 0.000 0.491 493 D N 0.251 120.660 120.400 0.014 0.000 2.586 493 D HA -0.072 4.568 4.640 -0.000 0.000 0.234 493 D C 1.253 177.545 176.300 -0.014 0.000 1.132 493 D CA 0.160 54.160 54.000 0.000 0.000 0.860 493 D CB 0.773 41.579 40.800 0.011 0.000 1.159 493 D HN 0.216 nan 8.370 nan 0.000 0.490 494 S N 3.411 119.094 115.700 -0.028 0.000 2.368 494 S HA -0.221 4.249 4.470 -0.000 0.000 0.224 494 S C 1.844 176.425 174.600 -0.031 0.000 1.029 494 S CA 0.382 58.565 58.200 -0.029 0.000 0.988 494 S CB -0.338 62.842 63.200 -0.034 0.000 0.838 494 S HN 0.560 nan 8.310 nan 0.000 0.462 495 L N 1.285 122.481 121.223 -0.046 0.000 2.093 495 L HA 0.157 4.497 4.340 -0.000 0.000 0.208 495 L C 2.595 179.447 176.870 -0.030 0.000 1.085 495 L CA 1.893 56.704 54.840 -0.048 0.000 0.755 495 L CB -0.572 41.439 42.059 -0.080 0.000 0.904 495 L HN 0.489 nan 8.230 nan 0.000 0.435 496 M N -1.223 118.364 119.600 -0.021 0.000 2.175 496 M HA -0.235 4.245 4.480 -0.000 0.000 0.264 496 M C 2.189 178.487 176.300 -0.003 0.000 1.063 496 M CA 1.701 56.998 55.300 -0.005 0.000 1.119 496 M CB -0.115 32.491 32.600 0.010 0.000 1.377 496 M HN 0.131 nan 8.290 nan 0.000 0.415 497 K N 0.287 120.684 120.400 -0.005 0.000 2.097 497 K HA -0.076 4.244 4.320 -0.000 0.000 0.206 497 K C 1.932 178.528 176.600 -0.007 0.000 1.049 497 K CA 1.370 57.654 56.287 -0.005 0.000 0.933 497 K CB -0.213 32.282 32.500 -0.007 0.000 0.717 497 K HN 0.493 nan 8.250 nan 0.000 0.442 498 A N 1.744 124.557 122.820 -0.012 0.000 2.015 498 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 498 A C 1.761 179.339 177.584 -0.009 0.000 1.163 498 A CA 1.288 53.318 52.037 -0.012 0.000 0.646 498 A CB -0.403 18.587 19.000 -0.016 0.000 0.806 498 A HN 0.400 nan 8.150 nan 0.000 0.448 499 R N -1.336 119.159 120.500 -0.008 0.000 2.388 499 R HA 0.381 4.721 4.340 -0.000 0.000 0.247 499 R C 0.943 177.242 176.300 -0.003 0.000 0.931 499 R CA 0.551 56.648 56.100 -0.006 0.000 1.082 499 R CB -0.628 29.668 30.300 -0.007 0.000 1.135 499 R HN 0.639 nan 8.270 nan 0.000 0.525 500 G N 0.654 109.453 108.800 -0.002 0.000 2.160 500 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.251 500 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.251 500 G C -0.704 174.199 174.900 0.005 0.000 1.008 500 G CA 0.345 45.445 45.100 0.001 0.000 0.724 500 G HN 0.488 nan 8.290 nan 0.000 0.514 501 D N 0.126 120.530 120.400 0.006 0.000 2.384 501 D HA 0.703 5.343 4.640 -0.000 0.000 0.250 501 D C 0.548 176.857 176.300 0.015 0.000 1.029 501 D CA -0.044 53.963 54.000 0.012 0.000 0.990 501 D CB 1.361 42.169 40.800 0.013 0.000 1.175 501 D HN 0.587 nan 8.370 nan 0.000 0.532 502 K N -0.983 119.430 120.400 0.021 0.000 2.536 502 K HA 0.528 4.848 4.320 -0.000 0.000 0.269 502 K C -2.969 173.648 176.600 0.028 0.000 0.965 502 K CA -1.709 54.593 56.287 0.024 0.000 0.860 502 K CB 1.857 34.370 32.500 0.022 0.000 1.423 502 K HN -0.000 nan 8.250 nan 0.000 0.438 503 P HA -0.003 nan 4.420 nan 0.000 0.261 503 P C -1.120 176.181 177.300 0.001 0.000 1.203 503 P CA 0.375 63.484 63.100 0.015 0.000 0.767 503 P CB 0.316 32.044 31.700 0.046 0.000 0.785 504 E N 1.984 122.179 120.200 -0.007 0.000 2.114 504 E HA 0.448 4.798 4.350 -0.000 0.000 0.266 504 E C 0.000 176.567 176.600 -0.056 0.000 0.896 504 E CA -0.932 55.481 56.400 0.022 0.000 0.750 504 E CB 1.448 31.216 29.700 0.113 0.000 1.121 504 E HN 0.454 nan 8.360 nan 0.000 0.413 505 A N 2.966 125.730 122.820 -0.094 0.000 2.540 505 A HA 0.058 4.378 4.320 -0.000 0.000 0.239 505 A C 0.397 177.773 177.584 -0.347 0.000 1.061 505 A CA -0.292 51.622 52.037 -0.205 0.000 0.758 505 A CB 0.239 19.158 19.000 -0.135 0.000 0.991 505 A HN 0.470 nan 8.150 nan 0.000 0.502 506 V N 3.458 123.012 119.914 -0.600 0.000 2.485 506 V HA 0.173 4.293 4.120 -0.000 0.000 0.287 506 V C 1.473 177.118 176.094 -0.749 0.000 1.022 506 V CA 1.221 62.832 62.300 -1.148 0.000 1.067 506 V CB 0.471 31.642 31.823 -1.086 0.000 0.967 506 V HN 1.122 nan 8.190 nan 0.000 0.479 507 T N -0.176 114.009 114.554 -0.615 0.000 3.040 507 T HA 0.164 4.514 4.350 -0.000 0.000 0.266 507 T C -0.070 174.856 174.700 0.376 0.000 1.005 507 T CA -0.494 61.628 62.100 0.036 0.000 0.906 507 T CB -0.052 68.925 68.868 0.183 0.000 1.082 507 T HN 0.653 nan 8.240 nan 0.000 0.531 508 W N 0.868 122.409 121.300 0.401 0.000 2.578 508 W HA 0.878 5.538 4.660 0.000 0.000 0.364 508 W C 0.180 176.977 176.519 0.463 0.000 1.144 508 W CA -1.313 56.238 57.345 0.343 0.000 1.242 508 W CB 0.619 30.199 29.460 0.200 0.000 1.382 508 W HN 0.146 nan 8.180 nan 0.000 0.625 509 G N 0.000 109.005 108.800 0.341 0.000 5.446 509 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 509 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 509 G CA 0.000 45.035 45.100 -0.109 0.000 0.502 509 G HN 0.000 nan 8.290 nan 0.000 0.925