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 2jjb_1_B DATA FIRST_RESID 35 DATA SEQUENCE VTPQPPDILL GPLFNDVQNA KLFPDQKTFA DAVPNSDPLM ILADYRMQQN DATA SEQUENCE QSGFDLRHFV NVNFTLPKXX XXXXXXEGQS LREHIDGLWP VLTRSTENTE DATA SEQUENCE KWDSLLPLPE PYVVPGGRFR EVYYWDSYFT MLGLAESGHW DKVADMVANF DATA SEQUENCE AHEIDTYGHI PNGNRSYYLS RSQPPFFALM VELLAQHEGD AALKQYLPQM DATA SEQUENCE QKEYAYWMDG VENLQAGQQE KRVVKLQDGT LLNRYWDDRD TPRPESWVED DATA SEQUENCE IATAKSNPNR PATEIYRDLR SAAASGWDFS SRWMDNPQQL NTLRTTSIVP DATA SEQUENCE VDLNSLMFKM EKILARASKA AGDNAMANQY ETLANARQKG IEKYLWNDQQ DATA SEQUENCE GWYADYDLKS HKVRNQLTAA ALFPLYVNAA AKDRANKMAT ATKTHLLQPG DATA SEQUENCE GLNTTSVKSG QQWDAPNGWA PLQWVATEGL QNYGQKEVAM DISWHFLTNV DATA SEQUENCE QHTYDREKKL VEKYDVSTTX XXXXXXXXPL QDGFGWTNGV TLKMLDLIcP DATA SEQUENCE KEQPcDNVPA 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 35 V HA 0.000 nan 4.120 nan 0.000 0.244 35 V C 0.000 176.070 176.094 -0.040 0.000 1.182 35 V CA 0.000 62.280 62.300 -0.034 0.000 1.235 35 V CB 0.000 31.815 31.823 -0.013 0.000 1.184 36 T N 3.722 118.270 114.554 -0.010 0.000 2.930 36 T HA 0.425 4.775 4.350 -0.000 0.000 0.306 36 T C -1.788 172.906 174.700 -0.010 0.000 1.045 36 T CA -0.655 61.440 62.100 -0.008 0.000 1.134 36 T CB 1.250 70.145 68.868 0.044 0.000 0.961 36 T HN 0.570 nan 8.240 nan 0.000 0.545 37 P HA 0.213 nan 4.420 nan 0.000 0.275 37 P C -0.134 177.166 177.300 0.001 0.000 1.228 37 P CA -0.517 62.602 63.100 0.031 0.000 0.786 37 P CB 0.539 32.279 31.700 0.067 0.000 0.927 38 Q N 2.750 122.560 119.800 0.016 0.000 2.539 38 Q HA 0.068 4.408 4.340 -0.000 0.000 0.268 38 Q C -1.824 174.148 176.000 -0.048 0.000 1.109 38 Q CA -0.148 55.646 55.803 -0.014 0.000 0.968 38 Q CB -0.850 27.884 28.738 -0.005 0.000 1.309 38 Q HN 0.396 nan 8.270 nan 0.000 0.497 39 P HA -0.002 nan 4.420 nan 0.000 0.271 39 P C -2.253 174.913 177.300 -0.223 0.000 1.233 39 P CA -1.086 61.950 63.100 -0.108 0.000 0.789 39 P CB 0.089 31.744 31.700 -0.074 0.000 0.951 40 P HA -0.174 nan 4.420 nan 0.000 0.218 40 P C 1.152 177.955 177.300 -0.828 0.000 1.149 40 P CA 1.498 64.234 63.100 -0.607 0.000 0.817 40 P CB -0.248 30.945 31.700 -0.844 0.000 0.785 41 D N -0.517 119.262 120.400 -1.035 0.000 2.178 41 D HA -0.153 4.487 4.640 -0.000 0.000 0.201 41 D C 1.646 177.808 176.300 -0.229 0.000 0.980 41 D CA 1.259 54.858 54.000 -0.668 0.000 0.842 41 D CB -0.757 39.770 40.800 -0.455 0.000 0.948 41 D HN 0.121 nan 8.370 nan 0.000 0.472 42 I N 0.670 121.136 120.570 -0.173 0.000 2.339 42 I HA -0.052 4.118 4.170 -0.000 0.000 0.245 42 I C 2.823 178.911 176.117 -0.049 0.000 1.096 42 I CA 0.177 61.439 61.300 -0.063 0.000 1.408 42 I CB -1.026 36.953 38.000 -0.035 0.000 1.092 42 I HN 0.038 nan 8.210 nan 0.000 0.423 43 L N 0.369 121.548 121.223 -0.074 0.000 2.013 43 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 43 L C 2.317 179.174 176.870 -0.022 0.000 1.073 43 L CA 1.750 56.569 54.840 -0.034 0.000 0.753 43 L CB -0.320 41.719 42.059 -0.033 0.000 0.890 43 L HN 0.235 nan 8.230 nan 0.000 0.432 44 L N -1.532 119.678 121.223 -0.021 0.000 2.607 44 L HA 0.216 4.556 4.340 -0.000 0.000 0.228 44 L C 1.355 178.269 176.870 0.073 0.000 1.123 44 L CA 0.184 55.061 54.840 0.061 0.000 0.890 44 L CB -0.149 41.998 42.059 0.147 0.000 1.103 44 L HN 0.421 nan 8.230 nan 0.000 0.468 45 G N 1.436 110.261 108.800 0.042 0.000 2.574 45 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.282 45 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.282 45 G C -1.780 173.175 174.900 0.093 0.000 1.257 45 G CA 0.109 45.249 45.100 0.067 0.000 0.956 45 G HN 0.177 nan 8.290 nan 0.000 0.560 46 P HA 0.025 nan 4.420 nan 0.000 0.225 46 P C 2.092 179.448 177.300 0.094 0.000 1.148 46 P CA 1.057 64.234 63.100 0.128 0.000 0.779 46 P CB -0.026 31.760 31.700 0.144 0.000 0.780 47 L N -1.245 120.002 121.223 0.041 0.000 2.079 47 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 47 L C 2.104 178.918 176.870 -0.093 0.000 1.081 47 L CA 1.759 56.464 54.840 -0.224 0.000 0.752 47 L CB -1.396 40.468 42.059 -0.325 0.000 0.896 47 L HN -0.118 nan 8.230 nan 0.000 0.433 48 F N 0.684 120.571 119.950 -0.105 0.000 2.102 48 F HA -0.256 4.270 4.527 -0.000 0.000 0.298 48 F C 2.425 178.019 175.800 -0.342 0.000 1.105 48 F CA 2.058 59.979 58.000 -0.132 0.000 1.239 48 F CB -0.574 38.243 39.000 -0.305 0.000 0.991 48 F HN 0.389 nan 8.300 nan 0.000 0.474 49 N N 0.289 118.822 118.700 -0.278 0.000 2.069 49 N HA -0.226 4.514 4.740 -0.000 0.000 0.191 49 N C 1.506 176.944 175.510 -0.120 0.000 1.031 49 N CA 2.099 55.029 53.050 -0.201 0.000 0.852 49 N CB -0.421 38.190 38.487 0.207 0.000 1.018 49 N HN 0.242 nan 8.380 nan 0.000 0.423 50 D N -0.515 119.830 120.400 -0.092 0.000 2.097 50 D HA -0.107 4.533 4.640 -0.000 0.000 0.195 50 D C 2.035 178.214 176.300 -0.200 0.000 0.989 50 D CA 0.917 54.876 54.000 -0.069 0.000 0.827 50 D CB -0.479 40.344 40.800 0.038 0.000 0.966 50 D HN 0.144 nan 8.370 nan 0.000 0.456 51 V N 1.218 120.899 119.914 -0.388 0.000 2.358 51 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 51 V C 2.500 178.298 176.094 -0.493 0.000 1.047 51 V CA 1.328 63.280 62.300 -0.579 0.000 1.035 51 V CB -0.334 30.787 31.823 -1.172 0.000 0.658 51 V HN 0.150 nan 8.190 nan 0.000 0.452 52 Q N 0.109 119.602 119.800 -0.511 0.000 2.046 52 Q HA -0.149 4.191 4.340 -0.000 0.000 0.200 52 Q C 2.182 178.119 176.000 -0.105 0.000 0.975 52 Q CA 1.385 56.987 55.803 -0.335 0.000 0.836 52 Q CB -0.643 27.793 28.738 -0.504 0.000 0.896 52 Q HN 0.609 nan 8.270 nan 0.000 0.428 53 N N 0.919 119.592 118.700 -0.045 0.000 2.223 53 N HA -0.094 4.646 4.740 -0.000 0.000 0.185 53 N C 1.503 176.993 175.510 -0.034 0.000 1.016 53 N CA 1.249 54.317 53.050 0.030 0.000 0.863 53 N CB -0.277 38.256 38.487 0.077 0.000 0.983 53 N HN 0.246 nan 8.380 nan 0.000 0.429 54 A N 0.872 123.632 122.820 -0.100 0.000 2.172 54 A HA -0.049 4.271 4.320 -0.000 0.000 0.216 54 A C 0.597 178.092 177.584 -0.148 0.000 1.154 54 A CA 0.368 52.331 52.037 -0.123 0.000 0.701 54 A CB -0.379 18.521 19.000 -0.165 0.000 0.789 54 A HN 0.320 nan 8.150 nan 0.000 0.465 55 K N -0.927 119.386 120.400 -0.145 0.000 3.278 55 K HA -0.197 4.123 4.320 -0.000 0.000 0.270 55 K C 0.435 176.891 176.600 -0.240 0.000 0.955 55 K CA 0.540 56.749 56.287 -0.131 0.000 0.723 55 K CB -1.866 30.598 32.500 -0.059 0.000 1.382 55 K HN 0.572 nan 8.250 nan 0.000 0.461 56 L N -0.665 120.289 121.223 -0.449 0.000 2.191 56 L HA -0.092 4.248 4.340 -0.000 0.000 0.212 56 L C 0.780 177.109 176.870 -0.901 0.000 1.103 56 L CA 1.244 55.624 54.840 -0.766 0.000 0.769 56 L CB -0.206 41.154 42.059 -1.166 0.000 0.908 56 L HN 0.172 nan 8.230 nan 0.000 0.438 57 F N -1.351 118.546 119.950 -0.089 0.000 2.532 57 F HA 0.366 4.893 4.527 -0.000 0.000 0.321 57 F C -1.498 174.284 175.800 -0.029 0.000 1.089 57 F CA -2.299 55.673 58.000 -0.047 0.000 0.926 57 F CB 0.316 39.298 39.000 -0.031 0.000 1.168 57 F HN -0.302 nan 8.300 nan 0.000 0.459 58 P HA -0.029 nan 4.420 nan 0.000 0.240 58 P C -0.364 176.992 177.300 0.093 0.000 1.190 58 P CA 0.780 63.932 63.100 0.086 0.000 0.781 58 P CB 0.548 32.286 31.700 0.064 0.000 0.931 59 D N 0.128 120.598 120.400 0.117 0.000 2.308 59 D HA 0.086 4.726 4.640 -0.000 0.000 0.242 59 D C 1.142 177.510 176.300 0.114 0.000 1.059 59 D CA -0.390 53.666 54.000 0.093 0.000 0.830 59 D CB 1.372 42.204 40.800 0.054 0.000 1.161 59 D HN -0.228 nan 8.370 nan 0.000 0.494 60 Q N 2.571 122.438 119.800 0.111 0.000 2.291 60 Q HA -0.142 4.198 4.340 -0.000 0.000 0.206 60 Q C 1.304 177.357 176.000 0.088 0.000 0.976 60 Q CA 0.803 56.675 55.803 0.115 0.000 0.875 60 Q CB 0.162 28.987 28.738 0.145 0.000 0.927 60 Q HN 0.535 nan 8.270 nan 0.000 0.450 61 K N 0.198 120.637 120.400 0.064 0.000 2.288 61 K HA -0.061 4.259 4.320 -0.000 0.000 0.201 61 K C 1.752 178.356 176.600 0.007 0.000 1.048 61 K CA 0.953 57.254 56.287 0.022 0.000 0.956 61 K CB 0.265 32.798 32.500 0.055 0.000 0.746 61 K HN 0.069 nan 8.250 nan 0.000 0.461 62 T N 0.653 115.205 114.554 -0.003 0.000 2.622 62 T HA -0.168 4.182 4.350 -0.000 0.000 0.266 62 T C 1.297 175.916 174.700 -0.136 0.000 1.047 62 T CA 1.385 63.417 62.100 -0.112 0.000 1.159 62 T CB -0.349 68.392 68.868 -0.211 0.000 0.863 62 T HN 0.232 nan 8.240 nan 0.000 0.422 63 F N 1.896 121.707 119.950 -0.232 0.000 2.325 63 F HA 0.235 4.762 4.527 -0.000 0.000 0.299 63 F C 2.355 178.152 175.800 -0.004 0.000 1.090 63 F CA 0.177 58.059 58.000 -0.198 0.000 1.392 63 F CB -0.653 38.257 39.000 -0.151 0.000 1.053 63 F HN 0.131 nan 8.300 nan 0.000 0.521 64 A N -0.477 122.372 122.820 0.049 0.000 2.019 64 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 64 A C 1.595 179.178 177.584 -0.001 0.000 1.164 64 A CA 1.915 53.946 52.037 -0.010 0.000 0.644 64 A CB -0.669 18.170 19.000 -0.269 0.000 0.805 64 A HN 0.341 nan 8.150 nan 0.000 0.449 65 D N -0.200 120.200 120.400 -0.000 0.000 2.328 65 D HA 0.349 4.989 4.640 -0.000 0.000 0.221 65 D C 0.575 176.852 176.300 -0.037 0.000 1.072 65 D CA 0.602 54.623 54.000 0.035 0.000 0.850 65 D CB -0.032 40.805 40.800 0.061 0.000 0.922 65 D HN 0.422 nan 8.370 nan 0.000 0.516 66 A N 0.501 123.236 122.820 -0.141 0.000 2.425 66 A HA 0.342 4.662 4.320 -0.000 0.000 0.249 66 A C 0.283 177.884 177.584 0.029 0.000 1.084 66 A CA -0.306 51.674 52.037 -0.095 0.000 0.781 66 A CB 0.628 19.461 19.000 -0.279 0.000 1.019 66 A HN -0.000 nan 8.150 nan 0.000 0.490 67 V N 4.994 124.979 119.914 0.119 0.000 2.364 67 V HA 0.253 4.373 4.120 -0.000 0.000 0.272 67 V C -2.259 173.946 176.094 0.185 0.000 1.036 67 V CA -1.550 60.835 62.300 0.141 0.000 0.880 67 V CB 0.933 32.813 31.823 0.095 0.000 0.991 67 V HN 0.743 nan 8.190 nan 0.000 0.460 68 P HA 0.151 nan 4.420 nan 0.000 0.267 68 P C 0.394 177.606 177.300 -0.146 0.000 1.205 68 P CA 0.070 63.063 63.100 -0.177 0.000 0.765 68 P CB 0.530 32.123 31.700 -0.179 0.000 0.828 69 N N 0.233 118.750 118.700 -0.304 0.000 2.409 69 N HA -0.036 4.704 4.740 -0.000 0.000 0.179 69 N C 0.725 176.163 175.510 -0.120 0.000 1.032 69 N CA 0.798 53.753 53.050 -0.157 0.000 0.898 69 N CB 0.008 38.379 38.487 -0.193 0.000 0.971 69 N HN 0.521 nan 8.380 nan 0.000 0.441 70 S N -1.384 114.153 115.700 -0.272 0.000 2.903 70 S HA 0.229 4.699 4.470 -0.000 0.000 0.314 70 S C -0.951 173.150 174.600 -0.832 0.000 1.177 70 S CA -0.927 57.086 58.200 -0.311 0.000 0.859 70 S CB 1.594 64.652 63.200 -0.237 0.000 1.265 70 S HN -0.071 nan 8.310 nan 0.000 0.584 71 D N 1.775 121.606 120.400 -0.948 0.000 2.412 71 D HA 0.276 4.916 4.640 -0.000 0.000 0.257 71 D C -1.587 174.233 176.300 -0.800 0.000 1.217 71 D CA -1.655 51.560 54.000 -1.308 0.000 0.897 71 D CB 1.015 41.501 40.800 -0.522 0.000 1.132 71 D HN 0.095 nan 8.370 nan 0.000 0.493 72 P HA -0.184 nan 4.420 nan 0.000 0.216 72 P C 1.617 178.802 177.300 -0.192 0.000 1.150 72 P CA 0.719 63.581 63.100 -0.398 0.000 0.843 72 P CB 0.066 31.573 31.700 -0.323 0.000 0.787 73 L N -2.069 119.045 121.223 -0.181 0.000 2.012 73 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 73 L C 2.073 178.915 176.870 -0.046 0.000 1.073 73 L CA 2.325 57.123 54.840 -0.070 0.000 0.748 73 L CB -1.216 40.817 42.059 -0.044 0.000 0.891 73 L HN -0.122 nan 8.230 nan 0.000 0.431 74 M N -0.572 118.974 119.600 -0.090 0.000 2.156 74 M HA -0.105 4.374 4.480 -0.000 0.000 0.264 74 M C 2.490 178.788 176.300 -0.003 0.000 1.067 74 M CA 1.631 56.901 55.300 -0.051 0.000 1.131 74 M CB -0.889 31.659 32.600 -0.087 0.000 1.368 74 M HN 0.346 nan 8.290 nan 0.000 0.416 75 I N 0.514 121.054 120.570 -0.049 0.000 2.113 75 I HA -0.364 3.806 4.170 -0.000 0.000 0.242 75 I C 2.579 178.856 176.117 0.267 0.000 1.064 75 I CA 1.396 62.744 61.300 0.080 0.000 1.320 75 I CB -0.527 37.438 38.000 -0.059 0.000 1.028 75 I HN 0.276 nan 8.210 nan 0.000 0.406 76 L N 0.514 121.837 121.223 0.166 0.000 2.046 76 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 76 L C 2.794 179.766 176.870 0.170 0.000 1.077 76 L CA 1.782 56.739 54.840 0.194 0.000 0.747 76 L CB -0.451 41.681 42.059 0.122 0.000 0.896 76 L HN 0.287 nan 8.230 nan 0.000 0.432 77 A N -0.434 122.448 122.820 0.104 0.000 1.902 77 A HA -0.300 4.020 4.320 -0.000 0.000 0.217 77 A C 1.955 179.584 177.584 0.075 0.000 1.181 77 A CA 2.054 54.130 52.037 0.064 0.000 0.623 77 A CB -0.692 18.332 19.000 0.040 0.000 0.818 77 A HN 0.525 nan 8.150 nan 0.000 0.443 78 D N -1.761 118.726 120.400 0.146 0.000 2.097 78 D HA -0.194 4.446 4.640 -0.000 0.000 0.195 78 D C 1.752 178.164 176.300 0.186 0.000 0.989 78 D CA 1.509 55.632 54.000 0.205 0.000 0.827 78 D CB -0.418 40.566 40.800 0.307 0.000 0.966 78 D HN 0.454 nan 8.370 nan 0.000 0.456 79 Y N 1.442 121.747 120.300 0.009 0.000 2.114 79 Y HA -0.235 4.314 4.550 -0.000 0.000 0.282 79 Y C 2.110 177.781 175.900 -0.382 0.000 1.165 79 Y CA 1.915 59.742 58.100 -0.455 0.000 1.148 79 Y CB -0.232 37.983 38.460 -0.409 0.000 0.972 79 Y HN -0.105 nan 8.280 nan 0.000 0.504 80 R N -0.161 120.178 120.500 -0.267 0.000 2.120 80 R HA -0.172 4.168 4.340 -0.000 0.000 0.234 80 R C 2.453 178.575 176.300 -0.297 0.000 1.123 80 R CA 1.565 57.463 56.100 -0.336 0.000 0.975 80 R CB -1.093 29.121 30.300 -0.144 0.000 0.866 80 R HN 0.512 nan 8.270 nan 0.000 0.446 81 M N 0.557 120.046 119.600 -0.185 0.000 2.160 81 M HA -0.111 4.369 4.480 -0.000 0.000 0.264 81 M C 1.420 177.618 176.300 -0.170 0.000 1.073 81 M CA 1.666 56.889 55.300 -0.128 0.000 1.142 81 M CB -0.089 32.489 32.600 -0.038 0.000 1.358 81 M HN 0.088 nan 8.290 nan 0.000 0.422 82 Q N -0.277 119.403 119.800 -0.200 0.000 2.378 82 Q HA -0.136 4.204 4.340 -0.000 0.000 0.205 82 Q C 1.952 177.620 176.000 -0.553 0.000 0.954 82 Q CA 0.782 56.484 55.803 -0.169 0.000 0.901 82 Q CB 0.007 28.814 28.738 0.116 0.000 0.981 82 Q HN 0.654 nan 8.270 nan 0.000 0.483 83 Q N 0.701 119.950 119.800 -0.918 0.000 1.993 83 Q HA -0.205 4.135 4.340 -0.000 0.000 0.202 83 Q C 1.996 177.587 176.000 -0.682 0.000 0.984 83 Q CA 1.867 56.879 55.803 -1.320 0.000 0.837 83 Q CB -0.165 27.884 28.738 -1.148 0.000 0.902 83 Q HN 0.574 nan 8.270 nan 0.000 0.423 84 N N 0.340 118.802 118.700 -0.395 0.000 2.467 84 N HA -0.023 4.717 4.740 -0.000 0.000 0.184 84 N C 0.486 175.930 175.510 -0.109 0.000 1.106 84 N CA 0.122 53.047 53.050 -0.209 0.000 0.892 84 N CB -0.053 nan 38.487 nan 0.000 0.969 84 N HN 0.315 nan 8.380 nan 0.000 0.454 85 Q N 0.275 120.017 119.800 -0.096 0.000 2.492 85 Q HA 0.227 4.567 4.340 -0.000 0.000 0.238 85 Q C -0.142 175.884 176.000 0.043 0.000 1.045 85 Q CA -0.302 55.494 55.803 -0.012 0.000 0.934 85 Q CB 0.565 29.314 28.738 0.018 0.000 1.276 85 Q HN 0.422 nan 8.270 nan 0.000 0.521 86 S N 0.401 116.126 115.700 0.041 0.000 2.537 86 S HA 0.245 4.715 4.470 -0.000 0.000 0.286 86 S C 0.765 175.412 174.600 0.078 0.000 1.299 86 S CA 0.469 58.698 58.200 0.048 0.000 1.067 86 S CB 0.382 63.600 63.200 0.030 0.000 0.864 86 S HN 0.907 nan 8.310 nan 0.000 0.494 87 G N 2.666 111.513 108.800 0.078 0.000 2.198 87 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.260 87 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.260 87 G C -0.049 174.918 174.900 0.112 0.000 1.025 87 G CA -0.129 45.012 45.100 0.069 0.000 0.769 87 G HN 0.709 nan 8.290 nan 0.000 0.507 88 F N 1.152 121.113 119.950 0.019 0.000 2.538 88 F HA 0.453 4.980 4.527 -0.000 0.000 0.371 88 F C 0.446 176.279 175.800 0.056 0.000 1.087 88 F CA 0.223 58.248 58.000 0.042 0.000 1.250 88 F CB 0.706 39.701 39.000 -0.008 0.000 1.110 88 F HN 0.155 nan 8.300 nan 0.000 0.570 89 D N 5.987 125.982 120.400 -0.676 0.000 2.471 89 D HA 0.164 4.804 4.640 -0.000 0.000 0.245 89 D C 0.508 176.370 176.300 -0.729 0.000 1.116 89 D CA -0.607 53.096 54.000 -0.495 0.000 0.853 89 D CB 1.286 41.974 40.800 -0.186 0.000 1.123 89 D HN 0.560 nan 8.370 nan 0.000 0.540 90 L N 4.689 125.571 121.223 -0.569 0.000 2.046 90 L HA -0.006 4.334 4.340 -0.000 0.000 0.208 90 L C 2.150 178.943 176.870 -0.128 0.000 1.077 90 L CA 1.762 56.421 54.840 -0.301 0.000 0.747 90 L CB -0.407 41.628 42.059 -0.040 0.000 0.896 90 L HN 0.543 nan 8.230 nan 0.000 0.432 91 R N -1.820 118.597 120.500 -0.138 0.000 2.096 91 R HA -0.256 4.084 4.340 -0.000 0.000 0.235 91 R C 2.451 178.759 176.300 0.013 0.000 1.127 91 R CA 1.708 57.750 56.100 -0.096 0.000 0.968 91 R CB -0.413 29.816 30.300 -0.119 0.000 0.861 91 R HN 0.626 nan 8.270 nan 0.000 0.440 92 H N -0.476 118.551 119.070 -0.072 0.000 2.357 92 H HA -0.146 4.410 4.556 -0.000 0.000 0.301 92 H C 1.660 177.009 175.328 0.035 0.000 1.082 92 H CA 2.053 58.086 56.048 -0.026 0.000 1.342 92 H CB -0.482 29.248 29.762 -0.053 0.000 1.389 92 H HN 0.262 nan 8.280 nan 0.000 0.511 93 F N 0.217 120.045 119.950 -0.203 0.000 2.126 93 F HA -0.210 4.317 4.527 -0.000 0.000 0.299 93 F C 2.245 178.073 175.800 0.046 0.000 1.096 93 F CA 1.629 59.573 58.000 -0.092 0.000 1.255 93 F CB -0.525 38.540 39.000 0.108 0.000 0.997 93 F HN 0.086 nan 8.300 nan 0.000 0.479 94 V N 0.771 120.836 119.914 0.251 0.000 2.295 94 V HA -0.336 3.784 4.120 -0.000 0.000 0.246 94 V C 2.166 178.415 176.094 0.258 0.000 1.049 94 V CA 2.182 64.673 62.300 0.319 0.000 1.024 94 V CB -0.839 31.051 31.823 0.112 0.000 0.648 94 V HN 0.358 nan 8.190 nan 0.000 0.447 95 N N 0.104 118.867 118.700 0.106 0.000 2.205 95 N HA -0.137 4.603 4.740 -0.000 0.000 0.186 95 N C 1.661 177.160 175.510 -0.019 0.000 1.015 95 N CA 1.351 54.449 53.050 0.080 0.000 0.862 95 N CB -0.416 38.112 38.487 0.069 0.000 0.986 95 N HN 0.373 nan 8.380 nan 0.000 0.429 96 V N 1.292 121.092 119.914 -0.191 0.000 2.407 96 V HA -0.045 4.075 4.120 -0.000 0.000 0.245 96 V C 1.591 177.520 176.094 -0.275 0.000 1.041 96 V CA 1.162 63.300 62.300 -0.270 0.000 1.040 96 V CB -0.224 31.328 31.823 -0.453 0.000 0.671 96 V HN 0.349 nan 8.190 nan 0.000 0.455 97 N N -1.070 117.413 118.700 -0.362 0.000 2.353 97 N HA 0.152 4.892 4.740 -0.000 0.000 0.185 97 N C -0.425 174.622 175.510 -0.771 0.000 1.098 97 N CA 0.361 53.050 53.050 -0.601 0.000 0.872 97 N CB 0.570 38.527 38.487 -0.883 0.000 0.970 97 N HN 0.383 nan 8.380 nan 0.000 0.467 98 F N -0.265 119.660 119.950 -0.042 0.000 2.578 98 F HA 0.283 4.810 4.527 -0.000 0.000 0.311 98 F C 0.072 175.884 175.800 0.020 0.000 1.094 98 F CA -0.890 57.125 58.000 0.025 0.000 0.923 98 F CB 1.662 40.752 39.000 0.149 0.000 1.230 98 F HN -0.393 nan 8.300 nan 0.000 0.450 99 T N 4.259 118.921 114.554 0.181 0.000 2.744 99 T HA 0.568 4.917 4.350 -0.000 0.000 0.291 99 T C -0.073 174.687 174.700 0.100 0.000 0.957 99 T CA -0.472 61.692 62.100 0.107 0.000 1.002 99 T CB 0.323 69.229 68.868 0.063 0.000 0.919 99 T HN 0.284 nan 8.240 nan 0.000 0.468 100 L N 5.121 126.379 121.223 0.059 0.000 2.399 100 L HA 0.488 4.828 4.340 -0.000 0.000 0.265 100 L C -1.546 175.307 176.870 -0.029 0.000 1.089 100 L CA -2.229 52.597 54.840 -0.024 0.000 0.802 100 L CB 0.185 42.185 42.059 -0.099 0.000 1.180 100 L HN 0.391 nan 8.230 nan 0.000 0.454 101 P HA 0.216 nan 4.420 nan 0.000 0.272 101 P C -0.933 176.352 177.300 -0.025 0.000 1.230 101 P CA -0.329 62.754 63.100 -0.028 0.000 0.788 101 P CB 1.334 33.017 31.700 -0.029 0.000 0.949 112 G N 1.853 110.673 108.800 0.034 0.000 4.291 112 G HA2 0.438 4.398 3.960 -0.000 0.000 0.304 112 G HA3 0.438 4.398 3.960 -0.000 0.000 0.304 112 G C 0.243 175.184 174.900 0.068 0.000 1.264 112 G CA 0.236 45.355 45.100 0.032 0.000 1.039 112 G HN 0.297 nan 8.290 nan 0.000 0.578 113 Q N 1.051 120.914 119.800 0.105 0.000 2.369 113 Q HA 0.227 4.567 4.340 -0.000 0.000 0.295 113 Q C 1.054 177.165 176.000 0.185 0.000 1.075 113 Q CA 0.126 56.008 55.803 0.132 0.000 0.941 113 Q CB 0.785 29.620 28.738 0.161 0.000 1.260 113 Q HN 0.511 nan 8.270 nan 0.000 0.417 114 S N 1.175 116.943 115.700 0.114 0.000 2.617 114 S HA 0.019 4.489 4.470 -0.000 0.000 0.259 114 S C 0.906 175.483 174.600 -0.039 0.000 1.301 114 S CA -0.658 57.596 58.200 0.090 0.000 0.984 114 S CB 0.461 63.677 63.200 0.026 0.000 0.954 114 S HN 0.649 nan 8.310 nan 0.000 0.572 115 L N 0.819 121.905 121.223 -0.228 0.000 2.012 115 L HA -0.055 4.285 4.340 -0.000 0.000 0.210 115 L C 2.810 179.472 176.870 -0.346 0.000 1.073 115 L CA 2.067 56.526 54.840 -0.635 0.000 0.748 115 L CB -0.920 40.861 42.059 -0.463 0.000 0.891 115 L HN 0.897 nan 8.230 nan 0.000 0.431 116 R N -0.469 119.918 120.500 -0.188 0.000 2.073 116 R HA -0.181 4.159 4.340 -0.000 0.000 0.234 116 R C 2.169 178.409 176.300 -0.099 0.000 1.134 116 R CA 1.924 57.949 56.100 -0.125 0.000 0.952 116 R CB -0.281 29.974 30.300 -0.075 0.000 0.850 116 R HN 0.560 nan 8.270 nan 0.000 0.433 117 E N -0.995 119.171 120.200 -0.057 0.000 2.085 117 E HA -0.270 4.080 4.350 -0.000 0.000 0.194 117 E C 1.929 178.499 176.600 -0.050 0.000 0.994 117 E CA 1.661 58.044 56.400 -0.028 0.000 0.801 117 E CB -0.280 29.428 29.700 0.014 0.000 0.743 117 E HN 0.503 nan 8.360 nan 0.000 0.453 118 H N 0.783 119.768 119.070 -0.143 0.000 2.290 118 H HA -0.119 4.437 4.556 -0.000 0.000 0.298 118 H C 1.954 177.131 175.328 -0.251 0.000 1.087 118 H CA 1.918 57.879 56.048 -0.144 0.000 1.291 118 H CB -0.172 29.497 29.762 -0.156 0.000 1.369 118 H HN 0.061 nan 8.280 nan 0.000 0.492 119 I N 0.457 120.840 120.570 -0.312 0.000 2.099 119 I HA -0.304 3.866 4.170 -0.000 0.000 0.239 119 I C 1.946 177.613 176.117 -0.751 0.000 1.066 119 I CA 1.784 62.768 61.300 -0.526 0.000 1.324 119 I CB -0.286 37.487 38.000 -0.379 0.000 1.037 119 I HN 0.353 nan 8.210 nan 0.000 0.401 120 D N 0.714 120.868 120.400 -0.409 0.000 2.218 120 D HA -0.125 4.515 4.640 -0.000 0.000 0.204 120 D C 2.142 178.313 176.300 -0.216 0.000 0.976 120 D CA 1.488 55.351 54.000 -0.228 0.000 0.853 120 D CB -0.466 40.374 40.800 0.067 0.000 0.939 120 D HN 0.460 nan 8.370 nan 0.000 0.481 121 G N 0.225 108.878 108.800 -0.245 0.000 2.511 121 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.217 121 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.217 121 G C 1.488 176.241 174.900 -0.246 0.000 1.133 121 G CA -0.012 44.983 45.100 -0.175 0.000 0.792 121 G HN 0.200 nan 8.290 nan 0.000 0.539 122 L N -0.643 120.311 121.223 -0.448 0.000 2.418 122 L HA 0.319 4.659 4.340 -0.000 0.000 0.218 122 L C 2.263 178.953 176.870 -0.300 0.000 1.125 122 L CA 0.381 54.966 54.840 -0.424 0.000 0.835 122 L CB -0.412 41.298 42.059 -0.580 0.000 0.953 122 L HN 0.426 nan 8.230 nan 0.000 0.454 123 W N 1.005 122.184 121.300 -0.202 0.000 2.302 123 W HA -0.226 4.434 4.660 -0.000 0.000 0.320 123 W C -0.138 176.259 176.519 -0.203 0.000 1.241 123 W CA 1.068 58.268 57.345 -0.241 0.000 1.264 123 W CB -1.921 27.293 29.460 -0.409 0.000 1.154 123 W HN 0.168 nan 8.180 nan 0.000 0.483 124 P HA -0.113 nan 4.420 nan 0.000 0.221 124 P C 1.481 178.763 177.300 -0.030 0.000 1.150 124 P CA 1.453 64.549 63.100 -0.006 0.000 0.800 124 P CB -0.254 31.441 31.700 -0.009 0.000 0.787 125 V N 0.133 120.020 119.914 -0.045 0.000 2.427 125 V HA -0.167 3.953 4.120 -0.000 0.000 0.248 125 V C 2.451 178.518 176.094 -0.045 0.000 1.051 125 V CA 1.490 63.758 62.300 -0.053 0.000 1.048 125 V CB -1.099 30.678 31.823 -0.075 0.000 0.666 125 V HN 0.063 nan 8.190 nan 0.000 0.456 126 L N -0.433 120.770 121.223 -0.032 0.000 2.591 126 L HA 0.081 4.421 4.340 -0.000 0.000 0.228 126 L C 0.689 177.542 176.870 -0.029 0.000 1.133 126 L CA 0.184 55.015 54.840 -0.015 0.000 0.880 126 L CB -0.354 41.713 42.059 0.014 0.000 1.033 126 L HN 0.273 nan 8.230 nan 0.000 0.450 127 T N 1.839 116.359 114.554 -0.057 0.000 2.780 127 T HA 0.335 4.685 4.350 -0.000 0.000 0.294 127 T C 0.321 174.887 174.700 -0.223 0.000 0.949 127 T CA -0.425 61.596 62.100 -0.131 0.000 1.074 127 T CB 1.019 69.826 68.868 -0.101 0.000 0.910 127 T HN 0.082 nan 8.240 nan 0.000 0.501 128 R N 1.670 121.900 120.500 -0.450 0.000 2.787 128 R HA 0.696 5.035 4.340 -0.000 0.000 0.271 128 R C -0.458 175.484 176.300 -0.596 0.000 0.993 128 R CA -0.792 54.975 56.100 -0.554 0.000 0.993 128 R CB 1.899 31.751 30.300 -0.746 0.000 1.155 128 R HN 0.539 nan 8.270 nan 0.000 0.486 129 S N 0.322 115.821 115.700 -0.335 0.000 2.721 129 S HA 0.231 4.701 4.470 -0.000 0.000 0.264 129 S C -0.870 173.685 174.600 -0.074 0.000 1.161 129 S CA -0.523 57.571 58.200 -0.178 0.000 1.113 129 S CB 0.448 63.580 63.200 -0.112 0.000 1.079 129 S HN 0.634 nan 8.310 nan 0.000 0.479 130 T N 1.580 116.154 114.554 0.033 0.000 3.542 130 T HA 0.399 4.749 4.350 -0.000 0.000 0.276 130 T C 0.545 175.278 174.700 0.056 0.000 1.412 130 T CA -0.624 61.515 62.100 0.065 0.000 1.664 130 T CB 0.459 69.404 68.868 0.127 0.000 0.863 130 T HN 0.560 nan 8.240 nan 0.000 0.661 131 E N 1.693 121.898 120.200 0.008 0.000 2.204 131 E HA 0.008 4.358 4.350 -0.000 0.000 0.194 131 E C 0.245 176.826 176.600 -0.032 0.000 0.989 131 E CA 0.473 56.856 56.400 -0.027 0.000 0.824 131 E CB 0.160 29.837 29.700 -0.039 0.000 0.756 131 E HN 0.576 nan 8.360 nan 0.000 0.477 132 N N 0.927 119.614 118.700 -0.021 0.000 2.296 132 N HA 0.189 4.929 4.740 -0.000 0.000 0.294 132 N C -0.754 174.744 175.510 -0.020 0.000 1.033 132 N CA -0.124 52.910 53.050 -0.028 0.000 0.839 132 N CB 2.170 40.638 38.487 -0.031 0.000 1.395 132 N HN -0.051 nan 8.380 nan 0.000 0.479 133 T N -2.479 112.057 114.554 -0.030 0.000 2.906 133 T HA 0.318 4.668 4.350 -0.000 0.000 0.295 133 T C -0.172 174.497 174.700 -0.052 0.000 1.061 133 T CA -0.870 61.214 62.100 -0.027 0.000 1.000 133 T CB 2.355 71.212 68.868 -0.018 0.000 1.103 133 T HN 0.285 nan 8.240 nan 0.000 0.486 134 E N 1.268 121.445 120.200 -0.040 0.000 2.481 134 E HA -0.029 4.321 4.350 -0.000 0.000 0.263 134 E C 1.117 177.637 176.600 -0.134 0.000 0.992 134 E CA -0.000 56.362 56.400 -0.063 0.000 0.938 134 E CB 0.720 30.425 29.700 0.008 0.000 0.933 134 E HN 0.809 nan 8.360 nan 0.000 0.453 135 K N 3.855 124.073 120.400 -0.304 0.000 2.090 135 K HA -0.193 4.126 4.320 -0.000 0.000 0.218 135 K C 0.995 177.300 176.600 -0.492 0.000 1.055 135 K CA 2.219 58.153 56.287 -0.588 0.000 0.941 135 K CB -0.044 31.711 32.500 -1.243 0.000 0.722 135 K HN 0.618 nan 8.250 nan 0.000 0.458 136 W N 1.264 122.548 121.300 -0.028 0.000 3.123 136 W HA 0.160 4.820 4.660 -0.000 0.000 0.383 136 W C 0.016 176.516 176.519 -0.033 0.000 1.102 136 W CA -0.758 56.568 57.345 -0.031 0.000 1.865 136 W CB -0.313 29.128 29.460 -0.030 0.000 1.111 136 W HN 0.090 nan 8.180 nan 0.000 0.621 137 D N 0.707 121.176 120.400 0.115 0.000 2.424 137 D HA -0.033 4.607 4.640 -0.000 0.000 0.244 137 D C 1.552 177.861 176.300 0.015 0.000 1.134 137 D CA 0.559 54.596 54.000 0.062 0.000 0.881 137 D CB 1.546 42.362 40.800 0.027 0.000 1.191 137 D HN -0.059 nan 8.370 nan 0.000 0.445 138 S N 3.334 119.032 115.700 -0.003 0.000 2.447 138 S HA -0.136 4.334 4.470 -0.000 0.000 0.233 138 S C 1.087 175.603 174.600 -0.141 0.000 1.006 138 S CA -0.131 58.027 58.200 -0.071 0.000 0.957 138 S CB -0.103 63.096 63.200 -0.001 0.000 0.773 138 S HN 0.432 nan 8.310 nan 0.000 0.507 139 L N 2.535 123.715 121.223 -0.072 0.000 2.410 139 L HA 0.405 4.745 4.340 -0.000 0.000 0.273 139 L C -0.543 176.292 176.870 -0.059 0.000 1.144 139 L CA -0.110 54.692 54.840 -0.064 0.000 0.863 139 L CB 0.308 42.370 42.059 0.005 0.000 1.140 139 L HN 0.286 nan 8.230 nan 0.000 0.463 140 L N 7.592 128.769 121.223 -0.075 0.000 2.325 140 L HA 0.541 4.881 4.340 -0.000 0.000 0.279 140 L C -1.975 174.890 176.870 -0.009 0.000 1.054 140 L CA -1.981 52.838 54.840 -0.035 0.000 0.804 140 L CB 1.269 43.309 42.059 -0.032 0.000 1.200 140 L HN 0.542 nan 8.230 nan 0.000 0.436 141 P HA 0.278 nan 4.420 nan 0.000 0.274 141 P C -1.102 176.174 177.300 -0.040 0.000 1.231 141 P CA -0.220 62.877 63.100 -0.006 0.000 0.790 141 P CB 1.269 32.959 31.700 -0.017 0.000 0.951 142 L N 3.049 124.227 121.223 -0.075 0.000 2.370 142 L HA 0.389 4.729 4.340 -0.000 0.000 0.266 142 L C -1.440 175.315 176.870 -0.191 0.000 1.002 142 L CA -2.159 52.572 54.840 -0.181 0.000 0.818 142 L CB 2.928 44.843 42.059 -0.239 0.000 1.325 142 L HN 0.179 nan 8.230 nan 0.000 0.418 143 P HA 0.015 nan 4.420 nan 0.000 0.231 143 P C -0.195 177.037 177.300 -0.112 0.000 1.168 143 P CA 0.902 63.853 63.100 -0.248 0.000 0.779 143 P CB 0.641 32.130 31.700 -0.350 0.000 0.844 144 E N -0.487 119.671 120.200 -0.070 0.000 2.336 144 E HA 0.464 4.814 4.350 -0.000 0.000 0.267 144 E C -2.718 173.917 176.600 0.058 0.000 0.906 144 E CA -2.819 53.572 56.400 -0.014 0.000 0.781 144 E CB 0.694 30.383 29.700 -0.019 0.000 1.261 144 E HN -0.098 nan 8.360 nan 0.000 0.436 145 P HA 0.065 nan 4.420 nan 0.000 0.269 145 P C -1.066 176.275 177.300 0.068 0.000 1.217 145 P CA 0.425 63.517 63.100 -0.015 0.000 0.783 145 P CB 0.100 31.766 31.700 -0.056 0.000 0.898 146 Y N -1.974 118.277 120.300 -0.082 0.000 2.552 146 Y HA 0.607 5.157 4.550 -0.000 0.000 0.337 146 Y C -1.512 174.359 175.900 -0.048 0.000 1.094 146 Y CA -1.566 56.480 58.100 -0.090 0.000 1.028 146 Y CB 0.474 38.858 38.460 -0.128 0.000 1.321 146 Y HN -0.026 nan 8.280 nan 0.000 0.456 147 V N 4.230 124.209 119.914 0.109 0.000 2.465 147 V HA 0.540 4.660 4.120 -0.000 0.000 0.279 147 V C 0.346 176.547 176.094 0.179 0.000 1.045 147 V CA -0.542 61.806 62.300 0.081 0.000 0.938 147 V CB 0.941 32.804 31.823 0.067 0.000 0.986 147 V HN 0.851 nan 8.190 nan 0.000 0.467 148 V N 3.464 123.455 119.914 0.129 0.000 2.973 148 V HA 0.524 4.644 4.120 -0.000 0.000 0.314 148 V C -1.902 174.174 176.094 -0.029 0.000 1.066 148 V CA -1.787 60.605 62.300 0.154 0.000 1.021 148 V CB 1.276 33.218 31.823 0.199 0.000 1.076 148 V HN 0.589 nan 8.190 nan 0.000 0.462 149 P HA 0.208 nan 4.420 nan 0.000 0.217 149 P C 0.643 177.520 177.300 -0.705 0.000 1.150 149 P CA 1.944 64.598 63.100 -0.743 0.000 0.832 149 P CB -0.168 30.866 31.700 -1.110 0.000 0.787 150 G N -3.555 105.120 108.800 -0.207 0.000 2.375 150 G HA2 0.386 4.346 3.960 -0.000 0.000 0.663 150 G HA3 0.386 4.346 3.960 -0.000 0.000 0.663 150 G C 0.152 175.171 174.900 0.198 0.000 1.391 150 G CA -0.283 44.825 45.100 0.013 0.000 0.949 150 G HN 0.434 nan 8.290 nan 0.000 0.646 151 G N 1.094 109.978 108.800 0.140 0.000 2.622 151 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.307 151 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.307 151 G C 1.564 176.464 174.900 -0.001 0.000 1.226 151 G CA 2.095 47.245 45.100 0.083 0.000 0.997 151 G HN 2.297 nan 8.290 nan 0.000 0.551 152 R N 0.226 120.623 120.500 -0.172 0.000 2.285 152 R HA 0.133 4.473 4.340 -0.000 0.000 0.213 152 R C 0.596 176.762 176.300 -0.224 0.000 1.068 152 R CA 1.302 57.241 56.100 -0.268 0.000 1.004 152 R CB -0.262 29.784 30.300 -0.424 0.000 0.873 152 R HN 0.296 nan 8.270 nan 0.000 0.467 153 F N 2.267 122.325 119.950 0.181 0.000 2.451 153 F HA 0.365 4.892 4.527 -0.000 0.000 0.356 153 F C 0.618 176.560 175.800 0.237 0.000 1.178 153 F CA -0.888 57.253 58.000 0.235 0.000 1.210 153 F CB 0.888 39.908 39.000 0.032 0.000 1.504 153 F HN -0.160 nan 8.300 nan 0.000 0.598 154 R N 2.011 122.735 120.500 0.373 0.000 2.568 154 R HA 0.153 4.493 4.340 -0.000 0.000 0.288 154 R C -0.079 176.399 176.300 0.297 0.000 1.077 154 R CA -0.046 56.206 56.100 0.253 0.000 1.102 154 R CB 0.038 30.436 30.300 0.164 0.000 1.278 154 R HN 0.474 nan 8.270 nan 0.000 0.560 155 E N -0.906 119.537 120.200 0.404 0.000 2.430 155 E HA 0.154 4.504 4.350 -0.000 0.000 0.279 155 E C -0.966 175.828 176.600 0.323 0.000 1.003 155 E CA -0.902 55.691 56.400 0.322 0.000 0.801 155 E CB 1.066 30.862 29.700 0.160 0.000 1.313 155 E HN -0.164 nan 8.360 nan 0.000 0.459 156 V N 1.217 121.197 119.914 0.110 0.000 2.811 156 V HA 0.191 4.311 4.120 -0.000 0.000 0.302 156 V C -1.110 174.988 176.094 0.006 0.000 1.063 156 V CA 0.139 62.505 62.300 0.111 0.000 1.088 156 V CB -0.028 31.685 31.823 -0.185 0.000 0.982 156 V HN 0.560 nan 8.190 nan 0.000 0.485 157 Y N 5.433 125.846 120.300 0.188 0.000 2.393 157 Y HA 0.337 4.887 4.550 -0.000 0.000 0.341 157 Y C 0.402 176.534 175.900 0.386 0.000 0.988 157 Y CA -0.397 57.816 58.100 0.188 0.000 1.078 157 Y CB 1.160 39.624 38.460 0.007 0.000 1.203 157 Y HN 0.688 nan 8.280 nan 0.000 0.453 158 Y N 3.696 124.167 120.300 0.285 0.000 2.060 158 Y HA -0.271 4.279 4.550 -0.000 0.000 0.276 158 Y C 2.063 178.180 175.900 0.361 0.000 1.127 158 Y CA 2.116 60.339 58.100 0.204 0.000 1.104 158 Y CB -0.750 37.796 38.460 0.144 0.000 0.983 158 Y HN 0.804 nan 8.280 nan 0.000 0.483 159 W N 1.297 122.727 121.300 0.218 0.000 2.402 159 W HA -0.076 4.584 4.660 -0.000 0.000 0.286 159 W C 1.416 178.150 176.519 0.358 0.000 1.221 159 W CA 1.190 58.622 57.345 0.144 0.000 1.257 159 W CB -1.519 28.083 29.460 0.236 0.000 1.120 159 W HN 0.151 nan 8.180 nan 0.000 0.551 160 D N 1.347 121.952 120.400 0.341 0.000 2.133 160 D HA -0.200 4.440 4.640 -0.000 0.000 0.195 160 D C 2.349 178.844 176.300 0.325 0.000 0.997 160 D CA 2.849 56.991 54.000 0.237 0.000 0.840 160 D CB -0.551 40.134 40.800 -0.192 0.000 0.947 160 D HN 0.049 nan 8.370 nan 0.000 0.452 161 S N -0.676 115.237 115.700 0.355 0.000 2.400 161 S HA -0.191 4.279 4.470 -0.000 0.000 0.232 161 S C 1.659 176.412 174.600 0.254 0.000 1.025 161 S CA 0.588 59.003 58.200 0.358 0.000 0.993 161 S CB -0.368 63.209 63.200 0.627 0.000 0.808 161 S HN 0.371 nan 8.310 nan 0.000 0.478 162 Y N 1.509 121.849 120.300 0.065 0.000 2.145 162 Y HA -0.179 4.371 4.550 -0.000 0.000 0.286 162 Y C 1.663 177.412 175.900 -0.251 0.000 1.145 162 Y CA 1.486 59.489 58.100 -0.162 0.000 1.148 162 Y CB -0.579 37.600 38.460 -0.468 0.000 0.981 162 Y HN 0.244 nan 8.280 nan 0.000 0.507 163 F N -0.597 119.305 119.950 -0.081 0.000 2.234 163 F HA -0.154 4.373 4.527 -0.000 0.000 0.299 163 F C 2.411 178.138 175.800 -0.122 0.000 1.087 163 F CA 1.623 59.536 58.000 -0.144 0.000 1.340 163 F CB -1.053 37.950 39.000 0.005 0.000 1.031 163 F HN -0.064 nan 8.300 nan 0.000 0.500 164 T N 0.117 114.750 114.554 0.131 0.000 2.737 164 T HA -0.185 4.165 4.350 -0.000 0.000 0.265 164 T C 2.007 176.608 174.700 -0.165 0.000 1.038 164 T CA 1.383 63.533 62.100 0.084 0.000 1.144 164 T CB -0.310 68.629 68.868 0.119 0.000 0.866 164 T HN 0.183 nan 8.240 nan 0.000 0.434 165 M N 0.538 120.015 119.600 -0.205 0.000 2.213 165 M HA 0.042 4.522 4.480 -0.000 0.000 0.263 165 M C 2.077 178.125 176.300 -0.421 0.000 1.062 165 M CA 1.210 56.326 55.300 -0.307 0.000 1.105 165 M CB -0.568 31.928 32.600 -0.173 0.000 1.385 165 M HN 0.172 nan 8.290 nan 0.000 0.417 166 L N -0.581 120.366 121.223 -0.460 0.000 2.042 166 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 166 L C 2.593 179.260 176.870 -0.339 0.000 1.076 166 L CA 1.429 56.015 54.840 -0.424 0.000 0.749 166 L CB -1.209 40.575 42.059 -0.458 0.000 0.893 166 L HN 0.433 nan 8.230 nan 0.000 0.432 167 G N -0.264 108.384 108.800 -0.254 0.000 2.394 167 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.215 167 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.215 167 G C 1.621 176.346 174.900 -0.292 0.000 1.165 167 G CA 0.264 45.310 45.100 -0.090 0.000 0.784 167 G HN 0.186 nan 8.290 nan 0.000 0.535 168 L N 0.902 121.692 121.223 -0.722 0.000 1.990 168 L HA -0.168 4.172 4.340 -0.000 0.000 0.213 168 L C 3.437 179.901 176.870 -0.676 0.000 1.072 168 L CA 1.385 55.699 54.840 -0.877 0.000 0.755 168 L CB -0.515 41.025 42.059 -0.864 0.000 0.889 168 L HN 0.302 nan 8.230 nan 0.000 0.432 169 A N -0.576 121.757 122.820 -0.812 0.000 1.883 169 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 169 A C 2.314 179.465 177.584 -0.722 0.000 1.186 169 A CA 1.820 53.096 52.037 -1.268 0.000 0.624 169 A CB -0.642 17.615 19.000 -1.238 0.000 0.822 169 A HN 0.439 nan 8.150 nan 0.000 0.444 170 E N 0.743 120.709 120.200 -0.390 0.000 2.171 170 E HA -0.178 4.172 4.350 -0.000 0.000 0.197 170 E C 1.622 178.150 176.600 -0.119 0.000 0.997 170 E CA 1.699 57.996 56.400 -0.173 0.000 0.810 170 E CB -0.169 29.460 29.700 -0.118 0.000 0.738 170 E HN 0.658 nan 8.360 nan 0.000 0.467 171 S N -1.874 113.743 115.700 -0.139 0.000 2.575 171 S HA 0.387 4.856 4.470 -0.000 0.000 0.237 171 S C 1.200 175.665 174.600 -0.225 0.000 0.975 171 S CA 0.398 58.573 58.200 -0.041 0.000 0.960 171 S CB 0.631 63.962 63.200 0.218 0.000 0.822 171 S HN 0.351 nan 8.310 nan 0.000 0.472 172 G N 1.850 110.447 108.800 -0.339 0.000 2.159 172 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.256 172 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.256 172 G C 0.019 174.636 174.900 -0.472 0.000 0.977 172 G CA 0.092 44.996 45.100 -0.326 0.000 0.652 172 G HN 0.683 nan 8.290 nan 0.000 0.531 173 H N -0.552 118.265 119.070 -0.422 0.000 2.768 173 H HA 0.284 4.840 4.556 -0.000 0.000 0.219 173 H C 1.110 176.202 175.328 -0.393 0.000 1.898 173 H CA -0.359 55.476 56.048 -0.355 0.000 1.313 173 H CB -0.418 29.079 29.762 -0.440 0.000 1.701 173 H HN 0.635 nan 8.280 nan 0.000 0.534 174 W N 0.609 121.796 121.300 -0.188 0.000 2.425 174 W HA -0.099 4.561 4.660 -0.000 0.000 0.277 174 W C 1.648 178.098 176.519 -0.115 0.000 1.231 174 W CA 0.127 57.339 57.345 -0.223 0.000 1.248 174 W CB 0.249 29.430 29.460 -0.465 0.000 1.117 174 W HN 0.319 nan 8.180 nan 0.000 0.568 175 D N 0.389 120.860 120.400 0.119 0.000 2.117 175 D HA -0.160 4.480 4.640 -0.000 0.000 0.197 175 D C 1.778 178.103 176.300 0.041 0.000 0.987 175 D CA 1.428 55.478 54.000 0.084 0.000 0.829 175 D CB -0.336 40.502 40.800 0.063 0.000 0.961 175 D HN 0.207 nan 8.370 nan 0.000 0.460 176 K N 0.263 120.656 120.400 -0.011 0.000 2.097 176 K HA -0.046 4.274 4.320 -0.000 0.000 0.205 176 K C 2.193 178.751 176.600 -0.069 0.000 1.050 176 K CA 0.443 56.688 56.287 -0.070 0.000 0.938 176 K CB -0.003 32.395 32.500 -0.171 0.000 0.718 176 K HN -0.015 nan 8.250 nan 0.000 0.442 177 V N 1.501 121.368 119.914 -0.079 0.000 2.295 177 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 177 V C 2.362 178.500 176.094 0.073 0.000 1.049 177 V CA 2.122 64.403 62.300 -0.031 0.000 1.024 177 V CB -0.673 31.115 31.823 -0.058 0.000 0.648 177 V HN 0.365 nan 8.190 nan 0.000 0.447 178 A N -0.289 122.601 122.820 0.116 0.000 1.898 178 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 178 A C 1.994 179.637 177.584 0.098 0.000 1.181 178 A CA 1.867 53.987 52.037 0.139 0.000 0.620 178 A CB -0.635 18.459 19.000 0.157 0.000 0.819 178 A HN 0.526 nan 8.150 nan 0.000 0.442 179 D N -0.246 120.188 120.400 0.057 0.000 2.116 179 D HA -0.188 4.452 4.640 -0.000 0.000 0.193 179 D C 1.971 178.267 176.300 -0.006 0.000 0.998 179 D CA 1.715 55.730 54.000 0.026 0.000 0.836 179 D CB -0.326 40.478 40.800 0.007 0.000 0.951 179 D HN 0.514 nan 8.370 nan 0.000 0.449 180 M N -0.223 119.372 119.600 -0.009 0.000 2.236 180 M HA -0.082 4.398 4.480 -0.000 0.000 0.266 180 M C 2.298 178.606 176.300 0.014 0.000 1.070 180 M CA 0.457 55.713 55.300 -0.074 0.000 1.137 180 M CB 0.143 32.746 32.600 0.004 0.000 1.378 180 M HN -0.132 nan 8.290 nan 0.000 0.426 181 V N 0.581 120.569 119.914 0.124 0.000 2.287 181 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 181 V C 2.650 178.789 176.094 0.075 0.000 1.053 181 V CA 2.104 64.487 62.300 0.139 0.000 1.027 181 V CB -1.304 30.464 31.823 -0.091 0.000 0.646 181 V HN 0.520 nan 8.190 nan 0.000 0.447 182 A N 0.288 123.145 122.820 0.062 0.000 1.902 182 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 182 A C 2.095 179.719 177.584 0.067 0.000 1.181 182 A CA 2.025 54.144 52.037 0.138 0.000 0.623 182 A CB -0.671 18.419 19.000 0.149 0.000 0.818 182 A HN 0.585 nan 8.150 nan 0.000 0.443 183 N N -0.668 117.987 118.700 -0.075 0.000 2.120 183 N HA -0.116 4.623 4.740 -0.000 0.000 0.188 183 N C 1.347 176.761 175.510 -0.160 0.000 1.024 183 N CA 1.432 54.362 53.050 -0.201 0.000 0.852 183 N CB -0.554 37.666 38.487 -0.444 0.000 1.003 183 N HN 0.471 nan 8.380 nan 0.000 0.424 184 F N 1.320 121.258 119.950 -0.019 0.000 2.206 184 F HA 0.073 4.600 4.527 -0.000 0.000 0.298 184 F C 2.382 177.979 175.800 -0.338 0.000 1.090 184 F CA 0.466 58.370 58.000 -0.160 0.000 1.323 184 F CB -0.992 37.983 39.000 -0.041 0.000 1.028 184 F HN -0.016 nan 8.300 nan 0.000 0.492 185 A N -0.489 122.336 122.820 0.009 0.000 1.908 185 A HA -0.310 4.010 4.320 -0.000 0.000 0.218 185 A C 2.054 179.624 177.584 -0.023 0.000 1.181 185 A CA 2.242 54.273 52.037 -0.010 0.000 0.627 185 A CB -1.342 17.857 19.000 0.330 0.000 0.818 185 A HN 0.519 nan 8.150 nan 0.000 0.445 186 H N -0.153 118.875 119.070 -0.070 0.000 2.352 186 H HA -0.107 4.449 4.556 -0.000 0.000 0.299 186 H C 1.962 177.137 175.328 -0.256 0.000 1.097 186 H CA 2.095 58.063 56.048 -0.133 0.000 1.311 186 H CB -0.112 29.573 29.762 -0.128 0.000 1.377 186 H HN 0.617 nan 8.280 nan 0.000 0.504 187 E N -0.006 120.048 120.200 -0.243 0.000 2.077 187 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 187 E C 2.388 178.759 176.600 -0.382 0.000 0.989 187 E CA 1.361 57.560 56.400 -0.334 0.000 0.800 187 E CB -0.053 29.628 29.700 -0.031 0.000 0.746 187 E HN 0.566 nan 8.360 nan 0.000 0.452 188 I N 1.272 121.648 120.570 -0.323 0.000 2.208 188 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 188 I C 2.276 178.240 176.117 -0.256 0.000 1.097 188 I CA 1.305 62.431 61.300 -0.291 0.000 1.363 188 I CB -0.220 37.599 38.000 -0.303 0.000 1.051 188 I HN 0.049 nan 8.210 nan 0.000 0.413 189 D N 0.323 120.554 120.400 -0.281 0.000 2.144 189 D HA -0.174 4.466 4.640 -0.000 0.000 0.199 189 D C 2.164 178.249 176.300 -0.359 0.000 0.984 189 D CA 1.988 55.831 54.000 -0.263 0.000 0.834 189 D CB 0.121 40.780 40.800 -0.235 0.000 0.955 189 D HN 0.396 nan 8.370 nan 0.000 0.465 190 T N -2.921 111.267 114.554 -0.609 0.000 3.031 190 T HA -0.041 4.309 4.350 -0.000 0.000 0.254 190 T C 1.433 175.802 174.700 -0.552 0.000 1.060 190 T CA 0.513 62.198 62.100 -0.691 0.000 1.135 190 T CB -0.371 67.859 68.868 -1.065 0.000 0.896 190 T HN 0.119 nan 8.240 nan 0.000 0.472 191 Y N 1.096 121.229 120.300 -0.278 0.000 2.498 191 Y HA 0.555 5.105 4.550 -0.000 0.000 0.259 191 Y C 2.214 177.981 175.900 -0.221 0.000 1.086 191 Y CA -0.706 57.224 58.100 -0.282 0.000 1.287 191 Y CB -0.029 38.153 38.460 -0.464 0.000 1.146 191 Y HN 0.393 nan 8.280 nan 0.000 0.523 192 G N 0.020 108.762 108.800 -0.097 0.000 2.213 192 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.236 192 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.236 192 G C 0.110 174.951 174.900 -0.098 0.000 0.991 192 G CA 0.290 45.372 45.100 -0.029 0.000 0.629 192 G HN 0.614 nan 8.290 nan 0.000 0.517 193 H N -1.446 117.411 119.070 -0.355 0.000 2.948 193 H HA 0.570 5.125 4.556 -0.000 0.000 0.315 193 H C -1.026 174.045 175.328 -0.429 0.000 1.360 193 H CA -1.178 54.473 56.048 -0.662 0.000 1.125 193 H CB 0.625 29.376 29.762 -1.684 0.000 1.844 193 H HN 0.179 nan 8.280 nan 0.000 0.529 194 I N 3.390 123.710 120.570 -0.417 0.000 2.337 194 I HA 0.179 4.349 4.170 -0.000 0.000 0.291 194 I C -2.152 173.827 176.117 -0.229 0.000 1.046 194 I CA -1.757 59.280 61.300 -0.438 0.000 1.324 194 I CB 1.297 38.744 38.000 -0.922 0.000 1.409 194 I HN 0.247 nan 8.210 nan 0.000 0.494 195 P HA 0.045 nan 4.420 nan 0.000 0.274 195 P C 0.266 177.557 177.300 -0.014 0.000 1.246 195 P CA -0.233 62.820 63.100 -0.079 0.000 0.795 195 P CB 0.796 32.367 31.700 -0.214 0.000 1.006 196 N N -0.100 118.590 118.700 -0.017 0.000 2.096 196 N HA -0.148 4.592 4.740 -0.000 0.000 0.195 196 N C 0.846 176.125 175.510 -0.386 0.000 1.017 196 N CA 1.635 54.578 53.050 -0.178 0.000 0.870 196 N CB -0.141 38.095 38.487 -0.419 0.000 1.024 196 N HN 0.652 nan 8.380 nan 0.000 0.434 197 G N -1.089 107.482 108.800 -0.383 0.000 2.606 197 G HA2 0.108 4.068 3.960 -0.000 0.000 0.300 197 G HA3 0.108 4.068 3.960 -0.000 0.000 0.300 197 G C -1.515 173.334 174.900 -0.084 0.000 1.360 197 G CA -0.568 44.353 45.100 -0.299 0.000 0.783 197 G HN 0.362 nan 8.290 nan 0.000 0.484 198 N N 0.970 119.583 118.700 -0.144 0.000 3.243 198 N HA 0.138 4.878 4.740 -0.000 0.000 0.310 198 N C -0.303 175.084 175.510 -0.205 0.000 1.313 198 N CA -0.061 52.887 53.050 -0.170 0.000 1.204 198 N CB 0.293 38.649 38.487 -0.217 0.000 1.483 198 N HN 0.253 nan 8.380 nan 0.000 0.553 199 R N -0.002 120.320 120.500 -0.297 0.000 2.686 199 R HA 0.204 4.544 4.340 -0.000 0.000 0.286 199 R C 1.143 177.078 176.300 -0.609 0.000 0.969 199 R CA -0.462 55.261 56.100 -0.629 0.000 0.898 199 R CB 1.644 31.084 30.300 -1.433 0.000 1.183 199 R HN 0.378 nan 8.270 nan 0.000 0.456 200 S N 1.392 116.789 115.700 -0.504 0.000 2.387 200 S HA -0.238 4.232 4.470 -0.000 0.000 0.230 200 S C 1.633 176.067 174.600 -0.278 0.000 1.035 200 S CA 1.672 59.676 58.200 -0.327 0.000 1.014 200 S CB -0.581 62.503 63.200 -0.193 0.000 0.836 200 S HN 0.746 nan 8.310 nan 0.000 0.466 201 Y N -1.119 119.035 120.300 -0.243 0.000 2.578 201 Y HA 0.419 4.969 4.550 -0.000 0.000 0.297 201 Y C 1.152 176.979 175.900 -0.122 0.000 1.176 201 Y CA -0.705 57.266 58.100 -0.216 0.000 1.315 201 Y CB -0.781 37.523 38.460 -0.261 0.000 1.031 201 Y HN 0.172 nan 8.280 nan 0.000 0.524 202 Y N -0.089 120.108 120.300 -0.170 0.000 2.467 202 Y HA 0.291 4.841 4.550 -0.000 0.000 0.250 202 Y C 1.668 177.512 175.900 -0.093 0.000 1.155 202 Y CA -0.979 57.068 58.100 -0.088 0.000 1.249 202 Y CB -0.147 38.209 38.460 -0.172 0.000 1.146 202 Y HN 0.225 nan 8.280 nan 0.000 0.524 203 L N -0.242 120.969 121.223 -0.020 0.000 2.275 203 L HA -0.153 4.187 4.340 -0.000 0.000 0.215 203 L C 2.114 179.055 176.870 0.117 0.000 1.119 203 L CA 1.525 56.318 54.840 -0.079 0.000 0.790 203 L CB -0.410 41.510 42.059 -0.233 0.000 0.919 203 L HN 0.215 nan 8.230 nan 0.000 0.443 204 S N -0.086 115.667 115.700 0.089 0.000 2.561 204 S HA -0.004 4.466 4.470 -0.000 0.000 0.225 204 S C 0.754 175.375 174.600 0.035 0.000 0.977 204 S CA -0.318 57.919 58.200 0.062 0.000 0.926 204 S CB -0.201 63.018 63.200 0.032 0.000 0.769 204 S HN 0.542 nan 8.310 nan 0.000 0.533 205 R N -1.166 119.384 120.500 0.083 0.000 2.781 205 R HA 0.764 5.104 4.340 -0.000 0.000 0.269 205 R C -0.358 176.003 176.300 0.101 0.000 1.025 205 R CA -0.713 55.416 56.100 0.047 0.000 0.914 205 R CB 1.007 31.335 30.300 0.048 0.000 1.236 205 R HN -0.020 nan 8.270 nan 0.000 0.465 206 S N -0.947 114.820 115.700 0.111 0.000 3.339 206 S HA 0.471 4.941 4.470 -0.000 0.000 0.221 206 S C -0.667 174.124 174.600 0.319 0.000 1.059 206 S CA -0.469 57.878 58.200 0.244 0.000 1.365 206 S CB 0.970 64.297 63.200 0.212 0.000 1.065 206 S HN 0.621 nan 8.310 nan 0.000 0.618 207 Q N -0.408 119.717 119.800 0.541 0.000 2.832 207 Q HA 0.376 4.716 4.340 -0.000 0.000 0.322 207 Q C -2.944 173.238 176.000 0.303 0.000 0.842 207 Q CA -1.946 54.022 55.803 0.276 0.000 0.780 207 Q CB 1.767 30.640 28.738 0.227 0.000 1.411 207 Q HN 0.304 nan 8.270 nan 0.000 0.490 208 P HA 0.033 nan 4.420 nan 0.000 0.263 208 P C -2.520 174.746 177.300 -0.057 0.000 1.195 208 P CA -0.513 62.601 63.100 0.023 0.000 0.762 208 P CB -0.042 31.578 31.700 -0.134 0.000 0.799 209 P HA 0.157 nan 4.420 nan 0.000 0.280 209 P C -0.573 176.580 177.300 -0.246 0.000 1.300 209 P CA 0.149 63.178 63.100 -0.119 0.000 0.785 209 P CB 0.117 31.715 31.700 -0.170 0.000 0.874 210 F N 1.394 121.206 119.950 -0.230 0.000 2.706 210 F HA 0.195 4.722 4.527 -0.000 0.000 0.313 210 F C 1.853 177.729 175.800 0.127 0.000 1.096 210 F CA -0.303 57.640 58.000 -0.094 0.000 1.219 210 F CB -0.062 38.840 39.000 -0.164 0.000 1.051 210 F HN 0.126 nan 8.300 nan 0.000 0.568 211 F N 1.609 121.787 119.950 0.379 0.000 2.091 211 F HA -0.250 4.277 4.527 -0.000 0.000 0.299 211 F C 2.322 178.210 175.800 0.147 0.000 1.103 211 F CA 1.782 59.940 58.000 0.263 0.000 1.228 211 F CB -0.527 38.604 39.000 0.218 0.000 0.984 211 F HN -0.036 nan 8.300 nan 0.000 0.477 212 A N 0.161 122.987 122.820 0.010 0.000 1.940 212 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 212 A C 2.072 179.564 177.584 -0.153 0.000 1.176 212 A CA 2.049 53.997 52.037 -0.148 0.000 0.631 212 A CB -1.144 17.807 19.000 -0.082 0.000 0.814 212 A HN 0.440 nan 8.150 nan 0.000 0.446 213 L N -1.114 120.048 121.223 -0.102 0.000 2.109 213 L HA -0.075 4.265 4.340 -0.000 0.000 0.207 213 L C 2.713 179.683 176.870 0.165 0.000 1.086 213 L CA 1.495 56.303 54.840 -0.054 0.000 0.760 213 L CB -0.562 41.322 42.059 -0.292 0.000 0.910 213 L HN 0.362 nan 8.230 nan 0.000 0.437 214 M N -1.444 118.264 119.600 0.181 0.000 2.108 214 M HA -0.222 4.258 4.480 -0.000 0.000 0.261 214 M C 2.229 178.536 176.300 0.012 0.000 1.066 214 M CA 1.450 56.874 55.300 0.206 0.000 1.107 214 M CB -0.482 32.236 32.600 0.197 0.000 1.356 214 M HN 0.085 nan 8.290 nan 0.000 0.406 215 V N 0.005 119.788 119.914 -0.217 0.000 2.358 215 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 215 V C 2.174 178.259 176.094 -0.015 0.000 1.047 215 V CA 1.768 63.958 62.300 -0.184 0.000 1.035 215 V CB -0.730 30.901 31.823 -0.320 0.000 0.658 215 V HN 0.468 nan 8.190 nan 0.000 0.452 216 E N -0.252 119.945 120.200 -0.005 0.000 2.070 216 E HA -0.283 4.066 4.350 -0.000 0.000 0.197 216 E C 2.178 178.850 176.600 0.120 0.000 1.004 216 E CA 1.713 58.139 56.400 0.043 0.000 0.805 216 E CB -0.214 29.507 29.700 0.034 0.000 0.744 216 E HN 0.423 nan 8.360 nan 0.000 0.451 217 L N 0.967 122.304 121.223 0.189 0.000 1.989 217 L HA -0.194 4.146 4.340 -0.000 0.000 0.211 217 L C 2.306 179.372 176.870 0.325 0.000 1.071 217 L CA 1.447 56.443 54.840 0.260 0.000 0.749 217 L CB -0.673 41.529 42.059 0.239 0.000 0.890 217 L HN 0.156 nan 8.230 nan 0.000 0.431 218 L N 0.050 121.434 121.223 0.267 0.000 2.079 218 L HA -0.113 4.227 4.340 -0.000 0.000 0.210 218 L C 2.511 179.458 176.870 0.127 0.000 1.081 218 L CA 2.028 57.029 54.840 0.267 0.000 0.752 218 L CB -1.168 41.018 42.059 0.211 0.000 0.896 218 L HN 0.342 nan 8.230 nan 0.000 0.433 219 A N -1.301 121.576 122.820 0.095 0.000 2.024 219 A HA -0.225 4.095 4.320 -0.000 0.000 0.220 219 A C 2.070 179.656 177.584 0.003 0.000 1.164 219 A CA 1.500 53.559 52.037 0.036 0.000 0.643 219 A CB -0.465 18.553 19.000 0.030 0.000 0.806 219 A HN 0.604 nan 8.150 nan 0.000 0.451 220 Q N -0.849 118.979 119.800 0.048 0.000 2.170 220 Q HA -0.187 4.153 4.340 -0.000 0.000 0.203 220 Q C 1.888 177.826 176.000 -0.103 0.000 0.976 220 Q CA 1.753 57.575 55.803 0.032 0.000 0.858 220 Q CB -0.556 28.279 28.738 0.162 0.000 0.907 220 Q HN 0.934 nan 8.270 nan 0.000 0.433 221 H N 0.148 118.969 119.070 -0.416 0.000 2.399 221 H HA 0.085 4.641 4.556 -0.000 0.000 0.300 221 H C 0.986 176.074 175.328 -0.401 0.000 1.048 221 H CA 0.734 56.360 56.048 -0.703 0.000 1.370 221 H CB 0.792 29.576 29.762 -1.629 0.000 1.428 221 H HN 0.298 nan 8.280 nan 0.000 0.534 222 E N -0.077 119.991 120.200 -0.220 0.000 2.415 222 E HA 0.167 4.517 4.350 -0.000 0.000 0.197 222 E C 0.988 177.516 176.600 -0.120 0.000 1.007 222 E CA 0.262 56.569 56.400 -0.155 0.000 0.890 222 E CB 1.049 30.727 29.700 -0.037 0.000 0.891 222 E HN 0.549 nan 8.360 nan 0.000 0.496 223 G N 2.081 110.821 108.800 -0.100 0.000 2.553 223 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.242 223 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.242 223 G C 0.118 174.996 174.900 -0.036 0.000 1.277 223 G CA 0.077 45.136 45.100 -0.067 0.000 0.910 223 G HN 0.168 nan 8.290 nan 0.000 0.576 224 D N 0.727 121.108 120.400 -0.033 0.000 2.310 224 D HA 0.183 4.823 4.640 -0.000 0.000 0.212 224 D C 2.690 178.980 176.300 -0.016 0.000 0.965 224 D CA 1.812 55.799 54.000 -0.021 0.000 0.879 224 D CB -0.637 40.149 40.800 -0.024 0.000 0.921 224 D HN 0.876 nan 8.370 nan 0.000 0.510 225 A N 1.103 123.909 122.820 -0.022 0.000 1.927 225 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 225 A C 2.321 179.902 177.584 -0.005 0.000 1.185 225 A CA 2.407 54.430 52.037 -0.022 0.000 0.639 225 A CB -0.710 18.273 19.000 -0.027 0.000 0.820 225 A HN 0.271 nan 8.150 nan 0.000 0.451 226 A N -0.523 122.318 122.820 0.036 0.000 1.898 226 A HA 0.020 4.340 4.320 -0.000 0.000 0.216 226 A C 2.183 179.846 177.584 0.133 0.000 1.181 226 A CA 1.434 53.545 52.037 0.123 0.000 0.620 226 A CB -0.569 18.513 19.000 0.137 0.000 0.819 226 A HN 0.486 nan 8.150 nan 0.000 0.442 227 L N -0.772 120.488 121.223 0.060 0.000 2.046 227 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 227 L C 2.576 179.463 176.870 0.029 0.000 1.077 227 L CA 1.828 56.691 54.840 0.039 0.000 0.747 227 L CB -0.485 41.574 42.059 0.000 0.000 0.896 227 L HN 0.329 nan 8.230 nan 0.000 0.432 228 K N -0.271 120.130 120.400 0.001 0.000 2.057 228 K HA -0.236 4.084 4.320 -0.000 0.000 0.207 228 K C 2.177 178.748 176.600 -0.048 0.000 1.049 228 K CA 1.353 57.630 56.287 -0.017 0.000 0.931 228 K CB -0.166 32.318 32.500 -0.026 0.000 0.714 228 K HN 0.270 nan 8.250 nan 0.000 0.440 229 Q N -0.272 119.462 119.800 -0.110 0.000 2.084 229 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 229 Q C 0.855 176.657 176.000 -0.329 0.000 0.978 229 Q CA 1.545 57.172 55.803 -0.292 0.000 0.844 229 Q CB 0.159 28.592 28.738 -0.508 0.000 0.898 229 Q HN 0.384 nan 8.270 nan 0.000 0.426 230 Y N -0.645 119.698 120.300 0.070 0.000 2.467 230 Y HA 0.053 4.603 4.550 -0.000 0.000 0.250 230 Y C 1.298 177.271 175.900 0.121 0.000 1.155 230 Y CA -0.348 57.829 58.100 0.128 0.000 1.249 230 Y CB 0.265 38.804 38.460 0.131 0.000 1.146 230 Y HN 0.166 nan 8.280 nan 0.000 0.524 231 L N 2.017 123.334 121.223 0.156 0.000 1.997 231 L HA -0.166 4.174 4.340 -0.000 0.000 0.216 231 L C -0.898 176.057 176.870 0.141 0.000 1.074 231 L CA 2.344 57.247 54.840 0.105 0.000 0.763 231 L CB -1.490 40.598 42.059 0.049 0.000 0.890 231 L HN 0.006 nan 8.230 nan 0.000 0.434 232 P HA -0.147 nan 4.420 nan 0.000 0.217 232 P C 1.461 178.865 177.300 0.174 0.000 1.150 232 P CA 1.372 64.552 63.100 0.135 0.000 0.832 232 P CB 0.026 31.784 31.700 0.097 0.000 0.787 233 Q N -1.447 118.500 119.800 0.245 0.000 2.123 233 Q HA -0.010 4.330 4.340 -0.000 0.000 0.199 233 Q C 2.206 178.390 176.000 0.308 0.000 0.966 233 Q CA 1.389 57.337 55.803 0.241 0.000 0.845 233 Q CB -0.783 28.138 28.738 0.305 0.000 0.907 233 Q HN 0.241 nan 8.270 nan 0.000 0.439 234 M N -0.031 119.841 119.600 0.453 0.000 2.149 234 M HA -0.251 4.229 4.480 -0.000 0.000 0.261 234 M C 2.063 178.520 176.300 0.262 0.000 1.064 234 M CA 1.577 57.117 55.300 0.399 0.000 1.102 234 M CB -0.294 32.443 32.600 0.229 0.000 1.369 234 M HN 0.274 nan 8.290 nan 0.000 0.408 235 Q N -0.048 119.875 119.800 0.204 0.000 2.079 235 Q HA -0.203 4.137 4.340 -0.000 0.000 0.200 235 Q C 2.088 178.257 176.000 0.282 0.000 0.974 235 Q CA 1.259 57.199 55.803 0.230 0.000 0.840 235 Q CB -0.126 28.735 28.738 0.204 0.000 0.898 235 Q HN 0.205 nan 8.270 nan 0.000 0.430 236 K N 1.313 121.843 120.400 0.217 0.000 2.057 236 K HA -0.158 4.162 4.320 -0.000 0.000 0.206 236 K C 1.736 178.466 176.600 0.218 0.000 1.050 236 K CA 1.350 57.743 56.287 0.177 0.000 0.935 236 K CB -0.099 32.462 32.500 0.102 0.000 0.715 236 K HN 0.145 nan 8.250 nan 0.000 0.439 237 E N -1.050 119.294 120.200 0.239 0.000 2.085 237 E HA -0.238 4.112 4.350 -0.000 0.000 0.194 237 E C 1.777 178.708 176.600 0.550 0.000 0.994 237 E CA 1.211 57.814 56.400 0.339 0.000 0.801 237 E CB -0.266 29.645 29.700 0.351 0.000 0.743 237 E HN 0.397 nan 8.360 nan 0.000 0.453 238 Y N 0.809 121.322 120.300 0.355 0.000 2.165 238 Y HA -0.245 4.305 4.550 -0.000 0.000 0.286 238 Y C 2.061 178.135 175.900 0.290 0.000 1.155 238 Y CA 1.667 59.967 58.100 0.332 0.000 1.164 238 Y CB -0.616 37.975 38.460 0.218 0.000 0.978 238 Y HN 0.111 nan 8.280 nan 0.000 0.513 239 A N -0.740 122.222 122.820 0.237 0.000 1.933 239 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 239 A C 2.150 179.767 177.584 0.055 0.000 1.175 239 A CA 1.644 53.733 52.037 0.087 0.000 0.628 239 A CB -1.539 17.540 19.000 0.132 0.000 0.814 239 A HN 0.716 nan 8.150 nan 0.000 0.444 240 Y N -1.009 119.288 120.300 -0.005 0.000 2.097 240 Y HA -0.263 4.287 4.550 -0.000 0.000 0.282 240 Y C 2.085 177.861 175.900 -0.207 0.000 1.152 240 Y CA 1.968 59.993 58.100 -0.124 0.000 1.136 240 Y CB -0.630 37.729 38.460 -0.169 0.000 0.975 240 Y HN 0.419 nan 8.280 nan 0.000 0.498 241 W N -0.312 120.905 121.300 -0.138 0.000 2.363 241 W HA -0.207 4.453 4.660 -0.000 0.000 0.296 241 W C 1.840 178.145 176.519 -0.357 0.000 1.212 241 W CA 0.992 58.164 57.345 -0.288 0.000 1.260 241 W CB -0.205 29.211 29.460 -0.073 0.000 1.131 241 W HN 0.070 nan 8.180 nan 0.000 0.530 242 M N -0.002 119.495 119.600 -0.172 0.000 2.494 242 M HA 0.102 4.582 4.480 -0.000 0.000 0.232 242 M C -0.392 175.781 176.300 -0.211 0.000 1.137 242 M CA 0.197 55.348 55.300 -0.249 0.000 1.012 242 M CB -1.622 30.721 32.600 -0.428 0.000 1.567 242 M HN -0.174 nan 8.290 nan 0.000 0.486 243 D N 1.034 121.298 120.400 -0.226 0.000 2.531 243 D HA 0.271 4.911 4.640 -0.000 0.000 0.239 243 D C 1.406 177.599 176.300 -0.179 0.000 1.144 243 D CA 2.062 55.953 54.000 -0.183 0.000 0.869 243 D CB 0.431 41.107 40.800 -0.207 0.000 1.160 243 D HN 0.586 nan 8.370 nan 0.000 0.484 244 G N 2.226 110.949 108.800 -0.129 0.000 2.175 244 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.244 244 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.244 244 G C 1.159 175.992 174.900 -0.113 0.000 0.982 244 G CA 0.243 45.272 45.100 -0.119 0.000 0.641 244 G HN 0.673 nan 8.290 nan 0.000 0.527 245 V N 0.672 120.517 119.914 -0.116 0.000 2.469 245 V HA -0.101 4.019 4.120 -0.000 0.000 0.251 245 V C 2.603 178.654 176.094 -0.072 0.000 1.064 245 V CA 3.252 65.491 62.300 -0.102 0.000 1.066 245 V CB -0.178 31.582 31.823 -0.105 0.000 0.667 245 V HN 0.570 nan 8.190 nan 0.000 0.461 246 E N 0.716 120.880 120.200 -0.060 0.000 2.160 246 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 246 E C 1.672 178.247 176.600 -0.042 0.000 0.991 246 E CA 1.562 57.937 56.400 -0.042 0.000 0.810 246 E CB -0.254 29.426 29.700 -0.033 0.000 0.742 246 E HN 0.623 nan 8.360 nan 0.000 0.466 247 N N -0.062 118.608 118.700 -0.050 0.000 2.205 247 N HA 0.060 4.800 4.740 -0.000 0.000 0.201 247 N C -0.362 175.115 175.510 -0.055 0.000 1.128 247 N CA -0.187 52.834 53.050 -0.047 0.000 0.867 247 N CB 0.497 38.958 38.487 -0.045 0.000 0.996 247 N HN 0.111 nan 8.380 nan 0.000 0.503 248 L N 2.591 123.773 121.223 -0.067 0.000 2.360 248 L HA 0.135 4.475 4.340 -0.000 0.000 0.276 248 L C 0.088 176.922 176.870 -0.060 0.000 1.121 248 L CA 0.019 54.814 54.840 -0.076 0.000 0.845 248 L CB 0.532 42.532 42.059 -0.097 0.000 1.143 248 L HN -0.046 nan 8.230 nan 0.000 0.452 249 Q N 3.772 123.539 119.800 -0.054 0.000 2.299 249 Q HA 0.442 4.782 4.340 -0.000 0.000 0.246 249 Q C -0.098 175.876 176.000 -0.043 0.000 0.935 249 Q CA -0.244 55.534 55.803 -0.041 0.000 0.887 249 Q CB 1.117 29.835 28.738 -0.032 0.000 1.223 249 Q HN 0.818 nan 8.270 nan 0.000 0.439 250 A N 0.590 123.390 122.820 -0.034 0.000 2.540 250 A HA 0.398 4.718 4.320 -0.000 0.000 0.239 250 A C 1.194 178.763 177.584 -0.024 0.000 1.061 250 A CA 0.893 52.911 52.037 -0.033 0.000 0.758 250 A CB -0.502 18.485 19.000 -0.020 0.000 0.991 250 A HN 1.030 nan 8.150 nan 0.000 0.502 251 G N 1.140 109.923 108.800 -0.030 0.000 2.176 251 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.253 251 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.253 251 G C 0.162 175.047 174.900 -0.025 0.000 0.979 251 G CA 0.703 45.797 45.100 -0.009 0.000 0.641 251 G HN 0.956 nan 8.290 nan 0.000 0.530 252 Q N -0.852 118.918 119.800 -0.050 0.000 2.333 252 Q HA 0.732 5.072 4.340 -0.000 0.000 0.266 252 Q C -0.422 175.517 176.000 -0.101 0.000 1.053 252 Q CA -0.773 54.990 55.803 -0.067 0.000 0.890 252 Q CB 1.184 29.883 28.738 -0.066 0.000 1.337 252 Q HN 0.353 nan 8.270 nan 0.000 0.474 253 Q N 0.371 120.095 119.800 -0.127 0.000 2.423 253 Q HA 0.483 4.823 4.340 -0.000 0.000 0.278 253 Q C -1.729 174.118 176.000 -0.255 0.000 1.097 253 Q CA -0.814 54.877 55.803 -0.186 0.000 0.809 253 Q CB 2.402 31.030 28.738 -0.183 0.000 1.391 253 Q HN 0.503 nan 8.270 nan 0.000 0.428 254 E N -0.338 119.654 120.200 -0.346 0.000 2.354 254 E HA 0.516 4.866 4.350 -0.000 0.000 0.283 254 E C -0.843 175.372 176.600 -0.641 0.000 0.938 254 E CA -0.969 55.157 56.400 -0.457 0.000 0.777 254 E CB 1.428 30.950 29.700 -0.296 0.000 1.222 254 E HN 0.481 nan 8.360 nan 0.000 0.423 255 K N 0.870 120.637 120.400 -1.056 0.000 1.721 255 K HA -0.361 3.959 4.320 -0.000 0.000 0.121 255 K C 0.571 176.605 176.600 -0.944 0.000 1.152 255 K CA 2.161 57.665 56.287 -1.306 0.000 0.360 255 K CB -0.763 31.363 32.500 -0.625 0.000 0.626 255 K HN 0.678 nan 8.250 nan 0.000 0.878 256 R N 0.752 120.949 120.500 -0.505 0.000 2.356 256 R HA 0.200 4.540 4.340 -0.000 0.000 0.234 256 R C -0.476 175.713 176.300 -0.185 0.000 0.929 256 R CA -0.093 55.861 56.100 -0.244 0.000 1.084 256 R CB 0.516 30.693 30.300 -0.205 0.000 1.105 256 R HN 0.055 nan 8.270 nan 0.000 0.515 257 V N 1.172 120.930 119.914 -0.259 0.000 2.555 257 V HA 0.408 4.528 4.120 -0.000 0.000 0.302 257 V C -0.210 175.770 176.094 -0.190 0.000 1.038 257 V CA -1.078 61.107 62.300 -0.192 0.000 0.887 257 V CB 1.982 33.692 31.823 -0.188 0.000 0.991 257 V HN -0.040 nan 8.190 nan 0.000 0.434 258 V N 2.081 121.905 119.914 -0.149 0.000 2.680 258 V HA 0.756 4.876 4.120 -0.000 0.000 0.309 258 V C -0.741 175.272 176.094 -0.135 0.000 1.052 258 V CA -0.821 61.395 62.300 -0.141 0.000 0.908 258 V CB 1.791 33.543 31.823 -0.119 0.000 1.001 258 V HN 0.896 nan 8.190 nan 0.000 0.431 259 K N 4.890 125.214 120.400 -0.126 0.000 2.450 259 K HA 0.634 4.954 4.320 -0.000 0.000 0.257 259 K C -0.796 175.729 176.600 -0.126 0.000 0.953 259 K CA -0.738 55.478 56.287 -0.119 0.000 0.844 259 K CB 1.435 33.880 32.500 -0.092 0.000 1.103 259 K HN 0.900 nan 8.250 nan 0.000 0.429 260 L N 3.211 124.326 121.223 -0.181 0.000 2.475 260 L HA 0.122 4.462 4.340 -0.000 0.000 0.253 260 L C 1.679 178.490 176.870 -0.099 0.000 1.198 260 L CA -0.211 54.508 54.840 -0.202 0.000 0.814 260 L CB 0.550 42.327 42.059 -0.471 0.000 1.134 260 L HN 0.738 nan 8.230 nan 0.000 0.478 261 Q N 0.505 120.283 119.800 -0.036 0.000 2.170 261 Q HA -0.198 4.141 4.340 -0.000 0.000 0.203 261 Q C 1.088 177.095 176.000 0.012 0.000 0.976 261 Q CA 1.614 57.425 55.803 0.014 0.000 0.858 261 Q CB -0.115 28.662 28.738 0.065 0.000 0.907 261 Q HN 0.726 nan 8.270 nan 0.000 0.433 262 D N -1.197 119.214 120.400 0.018 0.000 2.349 262 D HA -0.003 4.636 4.640 -0.000 0.000 0.224 262 D C 1.125 177.432 176.300 0.011 0.000 1.029 262 D CA 0.938 54.960 54.000 0.036 0.000 0.879 262 D CB 0.124 40.980 40.800 0.094 0.000 0.906 262 D HN 0.311 nan 8.370 nan 0.000 0.528 263 G N -0.515 108.272 108.800 -0.023 0.000 2.194 263 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.236 263 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.236 263 G C 0.451 175.326 174.900 -0.041 0.000 0.987 263 G CA 0.190 45.273 45.100 -0.029 0.000 0.635 263 G HN 0.451 nan 8.290 nan 0.000 0.520 264 T N 1.667 116.186 114.554 -0.058 0.000 2.908 264 T HA 0.403 4.752 4.350 -0.000 0.000 0.301 264 T C 0.608 175.243 174.700 -0.110 0.000 1.019 264 T CA 0.472 62.531 62.100 -0.068 0.000 1.152 264 T CB 0.742 69.548 68.868 -0.103 0.000 0.966 264 T HN 0.356 nan 8.240 nan 0.000 0.540 265 L N 4.882 126.067 121.223 -0.063 0.000 2.287 265 L HA 0.607 4.947 4.340 -0.000 0.000 0.287 265 L C -0.213 176.619 176.870 -0.064 0.000 1.022 265 L CA -0.558 54.241 54.840 -0.068 0.000 0.814 265 L CB 0.834 42.871 42.059 -0.037 0.000 1.217 265 L HN 0.418 nan 8.230 nan 0.000 0.420 266 L N 2.843 124.009 121.223 -0.095 0.000 2.359 266 L HA 0.532 4.872 4.340 -0.000 0.000 0.256 266 L C -0.803 176.007 176.870 -0.100 0.000 1.026 266 L CA -0.777 54.009 54.840 -0.089 0.000 0.828 266 L CB 2.530 44.523 42.059 -0.109 0.000 1.406 266 L HN 0.497 nan 8.230 nan 0.000 0.413 267 N N -0.283 118.350 118.700 -0.113 0.000 2.432 267 N HA 0.755 5.495 4.740 -0.000 0.000 0.292 267 N C -1.308 174.106 175.510 -0.161 0.000 1.193 267 N CA -0.862 52.114 53.050 -0.122 0.000 0.878 267 N CB 1.637 40.053 38.487 -0.118 0.000 1.252 267 N HN 0.491 nan 8.380 nan 0.000 0.520 268 R N -0.596 119.822 120.500 -0.137 0.000 2.855 268 R HA 0.471 4.811 4.340 -0.000 0.000 0.266 268 R C -1.437 174.784 176.300 -0.131 0.000 1.034 268 R CA -0.796 55.209 56.100 -0.159 0.000 0.944 268 R CB 0.492 30.764 30.300 -0.048 0.000 1.219 268 R HN 0.342 nan 8.270 nan 0.000 0.474 269 Y N 0.537 120.872 120.300 0.058 0.000 2.309 269 Y HA 0.307 4.857 4.550 -0.000 0.000 0.327 269 Y C -0.188 175.804 175.900 0.153 0.000 1.172 269 Y CA 0.192 58.341 58.100 0.082 0.000 1.280 269 Y CB 0.979 39.372 38.460 -0.111 0.000 1.234 269 Y HN 0.417 nan 8.280 nan 0.000 0.512 270 W N 4.661 126.007 121.300 0.077 0.000 3.624 270 W HA 0.208 4.868 4.660 -0.000 0.000 0.312 270 W C -2.068 174.433 176.519 -0.030 0.000 1.203 270 W CA -0.729 56.602 57.345 -0.024 0.000 1.225 270 W CB 2.145 31.552 29.460 -0.088 0.000 1.321 270 W HN 0.518 nan 8.180 nan 0.000 0.506 271 D N 3.077 123.166 120.400 -0.518 0.000 2.256 271 D HA 0.139 4.779 4.640 -0.000 0.000 0.246 271 D C 0.378 176.288 176.300 -0.651 0.000 1.042 271 D CA -0.111 53.656 54.000 -0.388 0.000 0.841 271 D CB 1.816 42.476 40.800 -0.233 0.000 1.223 271 D HN 0.323 nan 8.370 nan 0.000 0.470 272 D N 2.042 122.288 120.400 -0.256 0.000 2.371 272 D HA 0.008 4.648 4.640 -0.000 0.000 0.221 272 D C 0.435 176.671 176.300 -0.106 0.000 0.986 272 D CA 0.650 54.589 54.000 -0.101 0.000 0.899 272 D CB 0.529 41.360 40.800 0.051 0.000 0.902 272 D HN 0.228 nan 8.370 nan 0.000 0.530 273 R N 0.467 120.883 120.500 -0.141 0.000 2.828 273 R HA 0.291 4.630 4.340 -0.000 0.000 0.264 273 R C -0.224 176.009 176.300 -0.112 0.000 1.022 273 R CA -0.563 55.490 56.100 -0.080 0.000 1.021 273 R CB 1.018 31.302 30.300 -0.028 0.000 1.163 273 R HN -0.108 nan 8.270 nan 0.000 0.494 274 D N -0.843 119.533 120.400 -0.039 0.000 2.760 274 D HA 0.043 4.683 4.640 -0.000 0.000 0.314 274 D C -0.542 175.823 176.300 0.109 0.000 1.464 274 D CA -0.357 53.650 54.000 0.012 0.000 0.797 274 D CB 0.323 41.127 40.800 0.006 0.000 1.149 274 D HN 0.501 nan 8.370 nan 0.000 0.455 275 T N -3.692 110.848 114.554 -0.022 0.000 2.926 275 T HA 0.706 5.056 4.350 -0.000 0.000 0.289 275 T C -3.001 171.342 174.700 -0.595 0.000 1.054 275 T CA -2.298 59.639 62.100 -0.273 0.000 1.015 275 T CB 1.847 70.650 68.868 -0.109 0.000 1.167 275 T HN -0.281 nan 8.240 nan 0.000 0.526 276 P HA 0.207 nan 4.420 nan 0.000 0.267 276 P C -0.403 176.781 177.300 -0.192 0.000 1.200 276 P CA -0.367 62.209 63.100 -0.874 0.000 0.772 276 P CB 0.285 31.187 31.700 -1.329 0.000 0.855 277 R N 4.368 124.867 120.500 -0.002 0.000 2.401 277 R HA 0.074 4.414 4.340 -0.000 0.000 0.299 277 R C -1.506 174.981 176.300 0.311 0.000 1.064 277 R CA -1.095 55.102 56.100 0.162 0.000 1.000 277 R CB -0.378 30.039 30.300 0.194 0.000 0.973 277 R HN 0.420 nan 8.270 nan 0.000 0.438 278 P HA -0.249 nan 4.420 nan 0.000 0.216 278 P C 0.901 178.314 177.300 0.190 0.000 1.150 278 P CA 1.254 64.527 63.100 0.288 0.000 0.843 278 P CB 0.189 31.745 31.700 -0.240 0.000 0.787 279 E N -0.786 119.328 120.200 -0.144 0.000 2.482 279 E HA -0.004 4.346 4.350 -0.000 0.000 0.196 279 E C 0.162 176.833 176.600 0.119 0.000 1.047 279 E CA 0.899 57.219 56.400 -0.133 0.000 0.869 279 E CB -0.466 29.078 29.700 -0.261 0.000 0.836 279 E HN 0.110 nan 8.360 nan 0.000 0.520 280 S N 0.657 116.480 115.700 0.206 0.000 2.794 280 S HA 0.109 4.579 4.470 -0.000 0.000 0.244 280 S C 0.242 174.991 174.600 0.249 0.000 1.045 280 S CA -0.818 57.521 58.200 0.232 0.000 1.114 280 S CB -0.435 62.919 63.200 0.256 0.000 1.085 280 S HN 0.363 nan 8.310 nan 0.000 0.488 281 W N 2.465 123.811 121.300 0.077 0.000 2.332 281 W HA -0.232 4.428 4.660 -0.000 0.000 0.321 281 W C 1.841 178.388 176.519 0.047 0.000 1.219 281 W CA 2.302 59.687 57.345 0.066 0.000 1.277 281 W CB -0.425 29.078 29.460 0.071 0.000 1.161 281 W HN 0.341 nan 8.180 nan 0.000 0.476 282 V N -0.323 119.720 119.914 0.215 0.000 2.427 282 V HA -0.238 3.881 4.120 -0.000 0.000 0.248 282 V C 1.890 178.007 176.094 0.037 0.000 1.051 282 V CA 2.356 64.707 62.300 0.085 0.000 1.048 282 V CB -1.113 30.782 31.823 0.121 0.000 0.666 282 V HN 0.046 nan 8.190 nan 0.000 0.456 283 E N 1.112 121.361 120.200 0.081 0.000 2.058 283 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 283 E C 1.980 178.614 176.600 0.055 0.000 0.997 283 E CA 1.947 58.398 56.400 0.085 0.000 0.801 283 E CB -0.429 29.358 29.700 0.145 0.000 0.746 283 E HN 0.663 nan 8.360 nan 0.000 0.450 284 D N -0.061 120.365 120.400 0.044 0.000 2.117 284 D HA -0.089 4.551 4.640 -0.000 0.000 0.198 284 D C 1.958 178.328 176.300 0.117 0.000 0.982 284 D CA 0.735 54.776 54.000 0.069 0.000 0.828 284 D CB -0.169 40.648 40.800 0.028 0.000 0.967 284 D HN 0.165 nan 8.370 nan 0.000 0.464 285 I N 1.068 121.611 120.570 -0.045 0.000 2.226 285 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 285 I C 2.417 178.544 176.117 0.017 0.000 1.100 285 I CA 1.108 62.402 61.300 -0.010 0.000 1.374 285 I CB -0.185 37.704 38.000 -0.185 0.000 1.057 285 I HN -0.067 nan 8.210 nan 0.000 0.413 286 A N 0.218 123.038 122.820 0.001 0.000 1.902 286 A HA -0.203 4.116 4.320 -0.000 0.000 0.217 286 A C 2.384 179.963 177.584 -0.007 0.000 1.181 286 A CA 2.412 54.451 52.037 0.003 0.000 0.623 286 A CB -1.122 17.887 19.000 0.014 0.000 0.818 286 A HN 0.379 nan 8.150 nan 0.000 0.443 287 T N 0.420 114.969 114.554 -0.008 0.000 2.635 287 T HA -0.120 4.230 4.350 -0.000 0.000 0.267 287 T C 2.209 176.862 174.700 -0.077 0.000 1.040 287 T CA 1.992 64.066 62.100 -0.043 0.000 1.156 287 T CB -0.506 68.322 68.868 -0.066 0.000 0.863 287 T HN 0.613 nan 8.240 nan 0.000 0.430 288 A N 1.143 123.905 122.820 -0.098 0.000 1.930 288 A HA -0.033 4.287 4.320 -0.000 0.000 0.217 288 A C 2.193 179.698 177.584 -0.130 0.000 1.175 288 A CA 1.756 53.668 52.037 -0.209 0.000 0.627 288 A CB -0.505 18.201 19.000 -0.490 0.000 0.815 288 A HN 0.487 nan 8.150 nan 0.000 0.443 289 K N 0.654 121.014 120.400 -0.067 0.000 2.209 289 K HA -0.133 4.187 4.320 -0.000 0.000 0.204 289 K C 1.830 178.406 176.600 -0.040 0.000 1.048 289 K CA 1.625 57.886 56.287 -0.042 0.000 0.940 289 K CB -0.153 32.337 32.500 -0.016 0.000 0.729 289 K HN 0.600 nan 8.250 nan 0.000 0.451 290 S N -0.101 115.574 115.700 -0.041 0.000 2.603 290 S HA -0.013 4.457 4.470 -0.000 0.000 0.220 290 S C 0.511 175.089 174.600 -0.038 0.000 0.967 290 S CA -0.030 58.152 58.200 -0.031 0.000 0.920 290 S CB 0.022 63.208 63.200 -0.024 0.000 0.773 290 S HN 0.202 nan 8.310 nan 0.000 0.529 291 N N 1.908 120.575 118.700 -0.055 0.000 2.790 291 N HA 0.339 5.079 4.740 -0.000 0.000 0.256 291 N C -2.687 172.786 175.510 -0.061 0.000 1.409 291 N CA -2.072 50.944 53.050 -0.055 0.000 0.799 291 N CB 1.369 39.816 38.487 -0.066 0.000 1.170 291 N HN 0.045 nan 8.380 nan 0.000 0.507 292 P HA 0.012 nan 4.420 nan 0.000 0.252 292 P C 0.315 177.592 177.300 -0.038 0.000 1.265 292 P CA 0.502 63.576 63.100 -0.043 0.000 0.775 292 P CB -0.214 31.469 31.700 -0.029 0.000 1.128 293 N N -0.343 118.335 118.700 -0.038 0.000 2.336 293 N HA 0.012 4.752 4.740 -0.000 0.000 0.189 293 N C 0.423 175.910 175.510 -0.037 0.000 1.113 293 N CA -0.215 52.817 53.050 -0.031 0.000 0.858 293 N CB 0.234 38.708 38.487 -0.023 0.000 0.970 293 N HN -0.067 nan 8.380 nan 0.000 0.471 294 R N 0.219 120.685 120.500 -0.055 0.000 2.686 294 R HA 0.415 4.755 4.340 -0.000 0.000 0.286 294 R C -2.717 173.532 176.300 -0.086 0.000 0.969 294 R CA -2.136 53.925 56.100 -0.065 0.000 0.898 294 R CB 1.606 31.858 30.300 -0.080 0.000 1.183 294 R HN 0.082 nan 8.270 nan 0.000 0.456 295 P HA -0.066 nan 4.420 nan 0.000 0.262 295 P C 0.021 177.225 177.300 -0.161 0.000 1.182 295 P CA 0.381 63.430 63.100 -0.085 0.000 0.761 295 P CB 0.812 32.481 31.700 -0.052 0.000 0.795 296 A N 3.633 126.328 122.820 -0.207 0.000 1.940 296 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 296 A C 2.040 179.292 177.584 -0.554 0.000 1.176 296 A CA 2.403 54.165 52.037 -0.458 0.000 0.631 296 A CB -1.827 16.942 19.000 -0.385 0.000 0.814 296 A HN 0.612 nan 8.150 nan 0.000 0.446 297 T N -1.766 112.684 114.554 -0.174 0.000 2.759 297 T HA -0.225 4.125 4.350 -0.000 0.000 0.269 297 T C 1.735 176.395 174.700 -0.067 0.000 1.042 297 T CA 1.601 63.695 62.100 -0.010 0.000 1.140 297 T CB -0.407 68.481 68.868 0.034 0.000 0.864 297 T HN 0.663 nan 8.240 nan 0.000 0.455 298 E N 0.869 121.008 120.200 -0.102 0.000 2.077 298 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 298 E C 2.189 178.716 176.600 -0.121 0.000 0.989 298 E CA 1.117 57.467 56.400 -0.084 0.000 0.800 298 E CB -0.305 29.356 29.700 -0.064 0.000 0.746 298 E HN 0.648 nan 8.360 nan 0.000 0.452 299 I N 0.206 120.648 120.570 -0.214 0.000 2.202 299 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 299 I C 2.022 178.041 176.117 -0.163 0.000 1.091 299 I CA 0.925 62.086 61.300 -0.232 0.000 1.368 299 I CB -0.363 37.433 38.000 -0.341 0.000 1.058 299 I HN 0.194 nan 8.210 nan 0.000 0.410 300 Y N 0.741 120.987 120.300 -0.089 0.000 2.165 300 Y HA -0.276 4.274 4.550 -0.000 0.000 0.286 300 Y C 2.714 178.551 175.900 -0.105 0.000 1.155 300 Y CA 1.373 59.419 58.100 -0.090 0.000 1.164 300 Y CB -0.993 37.412 38.460 -0.092 0.000 0.978 300 Y HN 0.111 nan 8.280 nan 0.000 0.513 301 R N 0.650 121.148 120.500 -0.003 0.000 2.081 301 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 301 R C 1.648 177.853 176.300 -0.159 0.000 1.131 301 R CA 1.986 57.988 56.100 -0.162 0.000 0.960 301 R CB -0.460 29.691 30.300 -0.248 0.000 0.856 301 R HN 0.180 nan 8.270 nan 0.000 0.436 302 D N -0.006 120.335 120.400 -0.097 0.000 2.183 302 D HA -0.092 4.548 4.640 -0.000 0.000 0.203 302 D C 1.892 178.169 176.300 -0.038 0.000 0.969 302 D CA 1.008 54.960 54.000 -0.081 0.000 0.842 302 D CB -0.015 40.751 40.800 -0.057 0.000 0.957 302 D HN 0.272 nan 8.370 nan 0.000 0.484 303 L N 0.345 121.577 121.223 0.016 0.000 2.017 303 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 303 L C 2.608 179.616 176.870 0.230 0.000 1.073 303 L CA 1.123 56.054 54.840 0.151 0.000 0.745 303 L CB -0.200 41.931 42.059 0.121 0.000 0.894 303 L HN -0.084 nan 8.230 nan 0.000 0.432 304 R N -0.669 119.890 120.500 0.097 0.000 2.096 304 R HA -0.102 4.238 4.340 -0.000 0.000 0.235 304 R C 2.453 178.730 176.300 -0.039 0.000 1.127 304 R CA 1.518 57.647 56.100 0.049 0.000 0.968 304 R CB -0.256 30.037 30.300 -0.012 0.000 0.861 304 R HN 0.253 nan 8.270 nan 0.000 0.440 305 S N 0.536 116.170 115.700 -0.110 0.000 2.402 305 S HA -0.074 4.396 4.470 -0.000 0.000 0.229 305 S C 1.984 176.417 174.600 -0.279 0.000 1.021 305 S CA 1.013 59.121 58.200 -0.154 0.000 0.974 305 S CB 0.009 63.122 63.200 -0.145 0.000 0.800 305 S HN 0.454 nan 8.310 nan 0.000 0.484 306 A N 1.560 124.213 122.820 -0.280 0.000 1.969 306 A HA 0.180 4.500 4.320 -0.000 0.000 0.218 306 A C 2.319 179.723 177.584 -0.301 0.000 1.169 306 A CA 1.496 53.286 52.037 -0.411 0.000 0.635 306 A CB -0.902 18.066 19.000 -0.053 0.000 0.810 306 A HN 0.499 nan 8.150 nan 0.000 0.445 307 A N -0.080 122.640 122.820 -0.167 0.000 1.930 307 A HA 0.200 4.520 4.320 -0.000 0.000 0.217 307 A C 2.452 179.900 177.584 -0.228 0.000 1.175 307 A CA 1.827 53.759 52.037 -0.176 0.000 0.627 307 A CB -0.903 18.091 19.000 -0.009 0.000 0.815 307 A HN 1.026 nan 8.150 nan 0.000 0.443 308 A N 0.366 123.052 122.820 -0.224 0.000 1.972 308 A HA -0.083 4.236 4.320 -0.000 0.000 0.219 308 A C 2.409 179.594 177.584 -0.666 0.000 1.169 308 A CA 2.127 54.022 52.037 -0.236 0.000 0.635 308 A CB -0.868 18.105 19.000 -0.045 0.000 0.810 308 A HN 1.042 nan 8.150 nan 0.000 0.446 309 S N -1.784 113.311 115.700 -1.008 0.000 2.515 309 S HA 0.283 4.753 4.470 -0.000 0.000 0.231 309 S C 1.675 175.692 174.600 -0.971 0.000 0.987 309 S CA 1.266 58.514 58.200 -1.587 0.000 0.936 309 S CB -0.478 62.093 63.200 -1.049 0.000 0.766 309 S HN 1.916 nan 8.310 nan 0.000 0.528 310 G N 0.049 108.421 108.800 -0.713 0.000 2.304 310 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.252 310 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.252 310 G C -0.105 174.307 174.900 -0.813 0.000 1.014 310 G CA 0.275 44.998 45.100 -0.627 0.000 0.619 310 G HN 0.565 nan 8.290 nan 0.000 0.525 311 W N 3.615 124.339 121.300 -0.959 0.000 1.705 311 W HA 0.493 5.153 4.660 -0.000 0.000 0.361 311 W C -0.067 176.251 176.519 -0.335 0.000 0.690 311 W CA -1.034 55.724 57.345 -0.979 0.000 1.989 311 W CB 0.043 29.388 29.460 -0.191 0.000 1.903 311 W HN 0.320 nan 8.180 nan 0.000 0.364 312 D N 0.627 120.782 120.400 -0.409 0.000 2.428 312 D HA 0.296 4.936 4.640 -0.000 0.000 0.221 312 D C -0.448 175.636 176.300 -0.361 0.000 1.123 312 D CA -0.220 53.309 54.000 -0.785 0.000 0.869 312 D CB 0.477 40.563 40.800 -1.189 0.000 1.032 312 D HN -0.060 nan 8.370 nan 0.000 0.506 313 F N 0.360 120.590 119.950 0.466 0.000 2.679 313 F HA 0.613 5.140 4.527 -0.000 0.000 0.341 313 F C 0.442 176.536 175.800 0.490 0.000 1.095 313 F CA -1.107 57.165 58.000 0.453 0.000 1.004 313 F CB 2.115 41.320 39.000 0.341 0.000 1.388 313 F HN 0.265 nan 8.300 nan 0.000 0.505 314 S N -1.117 114.984 115.700 0.668 0.000 2.537 314 S HA 0.335 4.805 4.470 -0.000 0.000 0.271 314 S C 0.403 175.139 174.600 0.228 0.000 1.148 314 S CA -0.055 58.384 58.200 0.398 0.000 0.868 314 S CB 1.214 64.627 63.200 0.356 0.000 1.115 314 S HN 0.787 nan 8.310 nan 0.000 0.461 315 S N 3.300 119.097 115.700 0.161 0.000 2.420 315 S HA -0.212 4.258 4.470 -0.000 0.000 0.237 315 S C 1.812 176.413 174.600 0.001 0.000 1.023 315 S CA 1.398 59.654 58.200 0.093 0.000 0.991 315 S CB -0.601 62.647 63.200 0.079 0.000 0.792 315 S HN 0.779 nan 8.310 nan 0.000 0.488 316 R N 0.282 120.694 120.500 -0.147 0.000 2.139 316 R HA -0.136 4.204 4.340 -0.000 0.000 0.243 316 R C 1.426 177.513 176.300 -0.354 0.000 1.145 316 R CA 1.981 57.827 56.100 -0.425 0.000 0.976 316 R CB -0.299 29.486 30.300 -0.859 0.000 0.866 316 R HN 0.719 nan 8.270 nan 0.000 0.449 317 W N -0.662 120.705 121.300 0.113 0.000 3.114 317 W HA 0.276 4.936 4.660 -0.000 0.000 0.279 317 W C 0.145 176.705 176.519 0.068 0.000 1.277 317 W CA -0.916 56.480 57.345 0.085 0.000 1.630 317 W CB 0.396 29.930 29.460 0.123 0.000 1.087 317 W HN -0.103 nan 8.180 nan 0.000 0.637 318 M N 1.099 120.839 119.600 0.233 0.000 2.268 318 M HA 0.163 4.643 4.480 -0.000 0.000 0.344 318 M C 0.439 176.799 176.300 0.100 0.000 1.106 318 M CA -0.363 55.032 55.300 0.159 0.000 1.010 318 M CB 1.715 34.401 32.600 0.145 0.000 1.649 318 M HN -0.211 nan 8.290 nan 0.000 0.443 319 D N 0.952 121.398 120.400 0.076 0.000 2.149 319 D HA -0.052 4.588 4.640 -0.000 0.000 0.201 319 D C 0.279 176.606 176.300 0.045 0.000 0.972 319 D CA 1.413 55.444 54.000 0.052 0.000 0.835 319 D CB 0.160 40.984 40.800 0.039 0.000 0.966 319 D HN 0.435 nan 8.370 nan 0.000 0.476 320 N N 0.245 118.972 118.700 0.045 0.000 2.443 320 N HA 0.118 4.858 4.740 -0.000 0.000 0.269 320 N C -2.268 173.273 175.510 0.052 0.000 0.985 320 N CA -1.924 51.150 53.050 0.041 0.000 0.921 320 N CB 2.257 40.762 38.487 0.029 0.000 1.195 320 N HN -0.196 nan 8.380 nan 0.000 0.492 321 P HA -0.025 nan 4.420 nan 0.000 0.239 321 P C 0.218 177.560 177.300 0.070 0.000 1.184 321 P CA 0.832 63.975 63.100 0.071 0.000 0.760 321 P CB 0.597 32.337 31.700 0.066 0.000 0.884 322 Q N -0.807 119.026 119.800 0.054 0.000 2.247 322 Q HA 0.164 4.503 4.340 -0.000 0.000 0.204 322 Q C 0.271 176.295 176.000 0.040 0.000 0.872 322 Q CA 0.460 56.292 55.803 0.049 0.000 0.951 322 Q CB 0.707 29.468 28.738 0.040 0.000 1.099 322 Q HN 0.356 nan 8.270 nan 0.000 0.501 323 Q N 0.889 120.711 119.800 0.036 0.000 2.695 323 Q HA 0.145 4.485 4.340 -0.000 0.000 0.246 323 Q C 0.614 176.618 176.000 0.007 0.000 0.961 323 Q CA -0.213 55.600 55.803 0.017 0.000 0.708 323 Q CB 1.601 30.345 28.738 0.011 0.000 1.282 323 Q HN 0.140 nan 8.270 nan 0.000 0.482 324 L N 3.526 124.743 121.223 -0.011 0.000 2.129 324 L HA -0.257 4.083 4.340 -0.000 0.000 0.212 324 L C 1.469 178.283 176.870 -0.093 0.000 1.087 324 L CA 2.454 57.253 54.840 -0.068 0.000 0.757 324 L CB -0.200 41.770 42.059 -0.150 0.000 0.896 324 L HN 0.577 nan 8.230 nan 0.000 0.434 325 N N -1.866 116.788 118.700 -0.076 0.000 2.609 325 N HA -0.143 4.597 4.740 -0.000 0.000 0.190 325 N C 1.183 176.659 175.510 -0.056 0.000 1.157 325 N CA 1.206 54.206 53.050 -0.083 0.000 0.918 325 N CB -1.073 37.368 38.487 -0.076 0.000 0.978 325 N HN 0.555 nan 8.380 nan 0.000 0.448 326 T N -2.552 111.987 114.554 -0.025 0.000 3.105 326 T HA 0.171 4.521 4.350 -0.000 0.000 0.253 326 T C 0.663 175.379 174.700 0.028 0.000 1.047 326 T CA -0.832 61.268 62.100 0.000 0.000 0.944 326 T CB -0.741 68.136 68.868 0.016 0.000 1.016 326 T HN 0.386 nan 8.240 nan 0.000 0.544 327 L N 0.913 122.150 121.223 0.025 0.000 2.456 327 L HA 0.511 4.851 4.340 -0.000 0.000 0.272 327 L C 0.306 177.217 176.870 0.068 0.000 1.189 327 L CA -0.800 54.094 54.840 0.090 0.000 0.846 327 L CB 0.486 42.605 42.059 0.101 0.000 1.111 327 L HN 0.300 nan 8.230 nan 0.000 0.475 328 R N 0.873 121.444 120.500 0.118 0.000 2.647 328 R HA 0.231 4.571 4.340 -0.000 0.000 0.295 328 R C 0.192 176.541 176.300 0.083 0.000 1.267 328 R CA -0.190 55.954 56.100 0.074 0.000 1.386 328 R CB -0.235 30.102 30.300 0.062 0.000 1.309 328 R HN 0.787 nan 8.270 nan 0.000 0.692 329 T N 0.097 114.659 114.554 0.013 0.000 2.680 329 T HA -0.260 4.090 4.350 -0.000 0.000 0.268 329 T C 1.847 176.514 174.700 -0.055 0.000 1.033 329 T CA 2.625 64.630 62.100 -0.157 0.000 1.152 329 T CB -0.259 68.338 68.868 -0.451 0.000 0.859 329 T HN 0.649 nan 8.240 nan 0.000 0.452 330 T N 0.312 114.878 114.554 0.021 0.000 3.160 330 T HA 0.061 4.411 4.350 -0.000 0.000 0.257 330 T C 1.769 176.528 174.700 0.099 0.000 1.147 330 T CA 0.826 63.002 62.100 0.126 0.000 1.064 330 T CB -0.354 68.685 68.868 0.286 0.000 0.949 330 T HN 0.500 nan 8.240 nan 0.000 0.526 331 S N 0.074 115.816 115.700 0.069 0.000 2.554 331 S HA 0.428 4.898 4.470 -0.000 0.000 0.226 331 S C 0.173 174.797 174.600 0.041 0.000 0.980 331 S CA -0.810 57.414 58.200 0.040 0.000 0.939 331 S CB -0.447 62.769 63.200 0.027 0.000 0.832 331 S HN 0.533 nan 8.310 nan 0.000 0.486 332 I N 1.884 122.508 120.570 0.090 0.000 2.436 332 I HA 0.380 4.550 4.170 -0.000 0.000 0.289 332 I C -0.907 175.291 176.117 0.136 0.000 1.010 332 I CA -1.095 60.287 61.300 0.137 0.000 1.098 332 I CB 2.305 40.473 38.000 0.281 0.000 1.266 332 I HN -0.097 nan 8.210 nan 0.000 0.434 333 V N 8.302 128.297 119.914 0.134 0.000 2.389 333 V HA 0.241 4.361 4.120 -0.000 0.000 0.264 333 V C -2.239 173.912 176.094 0.095 0.000 1.049 333 V CA -1.585 60.773 62.300 0.096 0.000 0.932 333 V CB 0.495 32.394 31.823 0.127 0.000 1.011 333 V HN 0.532 nan 8.190 nan 0.000 0.475 334 P HA 0.171 nan 4.420 nan 0.000 0.281 334 P C 0.716 177.982 177.300 -0.056 0.000 1.252 334 P CA -0.054 63.063 63.100 0.030 0.000 0.778 334 P CB 1.645 33.380 31.700 0.059 0.000 0.895 335 V N 2.991 122.878 119.914 -0.044 0.000 2.548 335 V HA -0.190 3.930 4.120 -0.000 0.000 0.249 335 V C 1.436 177.459 176.094 -0.119 0.000 1.055 335 V CA 2.450 64.737 62.300 -0.021 0.000 1.065 335 V CB -0.865 31.009 31.823 0.085 0.000 0.681 335 V HN 0.563 nan 8.190 nan 0.000 0.462 336 D N 0.169 120.394 120.400 -0.292 0.000 2.084 336 D HA -0.224 4.416 4.640 -0.000 0.000 0.196 336 D C 2.034 178.050 176.300 -0.473 0.000 0.985 336 D CA 1.781 55.376 54.000 -0.674 0.000 0.826 336 D CB -1.006 38.974 40.800 -1.368 0.000 0.978 336 D HN 0.418 nan 8.370 nan 0.000 0.456 337 L N 0.918 121.917 121.223 -0.373 0.000 2.013 337 L HA -0.161 4.179 4.340 -0.000 0.000 0.212 337 L C 1.685 178.343 176.870 -0.353 0.000 1.073 337 L CA 1.887 56.463 54.840 -0.439 0.000 0.753 337 L CB -0.858 40.747 42.059 -0.757 0.000 0.890 337 L HN 0.005 nan 8.230 nan 0.000 0.432 338 N N -1.090 117.465 118.700 -0.241 0.000 2.331 338 N HA -0.097 4.643 4.740 -0.000 0.000 0.180 338 N C 1.755 177.234 175.510 -0.052 0.000 1.019 338 N CA 1.242 54.208 53.050 -0.140 0.000 0.881 338 N CB 0.029 38.464 38.487 -0.087 0.000 0.972 338 N HN 0.405 nan 8.380 nan 0.000 0.435 339 S N 1.460 117.136 115.700 -0.040 0.000 2.368 339 S HA 0.018 4.488 4.470 -0.000 0.000 0.224 339 S C 2.157 176.815 174.600 0.097 0.000 1.029 339 S CA 0.633 58.873 58.200 0.067 0.000 0.988 339 S CB -0.183 63.111 63.200 0.156 0.000 0.838 339 S HN 0.251 nan 8.310 nan 0.000 0.462 340 L N 0.828 122.033 121.223 -0.031 0.000 2.131 340 L HA -0.091 4.249 4.340 -0.000 0.000 0.210 340 L C 2.488 179.239 176.870 -0.198 0.000 1.092 340 L CA 0.740 55.481 54.840 -0.164 0.000 0.759 340 L CB -0.498 41.357 42.059 -0.339 0.000 0.903 340 L HN 0.316 nan 8.230 nan 0.000 0.435 341 M N -1.049 118.438 119.600 -0.188 0.000 2.132 341 M HA -0.190 4.290 4.480 -0.000 0.000 0.263 341 M C 2.363 178.658 176.300 -0.008 0.000 1.065 341 M CA 1.640 56.862 55.300 -0.131 0.000 1.122 341 M CB -1.118 31.407 32.600 -0.125 0.000 1.365 341 M HN 0.189 nan 8.290 nan 0.000 0.411 342 F N 1.709 121.605 119.950 -0.090 0.000 2.069 342 F HA -0.284 4.243 4.527 -0.000 0.000 0.298 342 F C 2.432 178.177 175.800 -0.091 0.000 1.113 342 F CA 2.092 60.053 58.000 -0.065 0.000 1.214 342 F CB -0.387 38.582 39.000 -0.051 0.000 0.978 342 F HN 0.021 nan 8.300 nan 0.000 0.474 343 K N 0.509 120.817 120.400 -0.154 0.000 2.044 343 K HA -0.261 4.059 4.320 -0.000 0.000 0.210 343 K C 2.353 178.766 176.600 -0.312 0.000 1.049 343 K CA 2.137 58.251 56.287 -0.288 0.000 0.927 343 K CB -0.703 31.689 32.500 -0.178 0.000 0.713 343 K HN 0.491 nan 8.250 nan 0.000 0.443 344 M N 0.341 119.798 119.600 -0.238 0.000 2.082 344 M HA -0.273 4.207 4.480 -0.000 0.000 0.258 344 M C 1.712 177.814 176.300 -0.329 0.000 1.069 344 M CA 2.042 57.212 55.300 -0.215 0.000 1.102 344 M CB -0.175 32.361 32.600 -0.106 0.000 1.336 344 M HN 0.219 nan 8.290 nan 0.000 0.404 345 E N -0.187 119.805 120.200 -0.348 0.000 2.051 345 E HA -0.215 4.135 4.350 -0.000 0.000 0.192 345 E C 2.024 178.392 176.600 -0.385 0.000 0.991 345 E CA 1.187 57.350 56.400 -0.394 0.000 0.799 345 E CB -0.038 29.529 29.700 -0.221 0.000 0.748 345 E HN 0.354 nan 8.360 nan 0.000 0.449 346 K N 0.597 120.710 120.400 -0.478 0.000 2.032 346 K HA -0.144 4.176 4.320 -0.000 0.000 0.209 346 K C 2.131 178.549 176.600 -0.304 0.000 1.048 346 K CA 1.133 57.163 56.287 -0.430 0.000 0.927 346 K CB -0.399 31.757 32.500 -0.574 0.000 0.712 346 K HN 0.246 nan 8.250 nan 0.000 0.441 347 I N 0.777 121.165 120.570 -0.303 0.000 2.353 347 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 347 I C 2.308 178.262 176.117 -0.270 0.000 1.119 347 I CA 0.684 61.842 61.300 -0.237 0.000 1.417 347 I CB -0.218 37.661 38.000 -0.202 0.000 1.078 347 I HN 0.024 nan 8.210 nan 0.000 0.421 348 L N 0.592 121.566 121.223 -0.414 0.000 2.042 348 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 348 L C 2.862 179.436 176.870 -0.494 0.000 1.076 348 L CA 1.430 55.882 54.840 -0.646 0.000 0.749 348 L CB -0.651 40.629 42.059 -1.298 0.000 0.893 348 L HN 0.258 nan 8.230 nan 0.000 0.432 349 A N -0.065 122.575 122.820 -0.300 0.000 1.883 349 A HA -0.277 4.043 4.320 -0.000 0.000 0.217 349 A C 2.408 179.956 177.584 -0.060 0.000 1.186 349 A CA 1.979 53.986 52.037 -0.050 0.000 0.624 349 A CB -0.611 18.374 19.000 -0.025 0.000 0.822 349 A HN 0.347 nan 8.150 nan 0.000 0.444 350 R N -0.566 119.872 120.500 -0.104 0.000 2.081 350 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 350 R C 2.318 178.581 176.300 -0.062 0.000 1.131 350 R CA 1.473 57.527 56.100 -0.076 0.000 0.960 350 R CB -0.389 29.858 30.300 -0.088 0.000 0.856 350 R HN 0.469 nan 8.270 nan 0.000 0.436 351 A N -0.131 122.638 122.820 -0.086 0.000 1.898 351 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 351 A C 2.180 179.747 177.584 -0.028 0.000 1.181 351 A CA 1.782 53.785 52.037 -0.058 0.000 0.620 351 A CB -0.506 18.450 19.000 -0.073 0.000 0.819 351 A HN 0.401 nan 8.150 nan 0.000 0.442 352 S N -0.388 115.300 115.700 -0.020 0.000 2.359 352 S HA -0.203 4.267 4.470 -0.000 0.000 0.224 352 S C 2.032 176.649 174.600 0.029 0.000 1.035 352 S CA 1.807 60.033 58.200 0.043 0.000 1.018 352 S CB -0.277 63.004 63.200 0.136 0.000 0.876 352 S HN 0.694 nan 8.310 nan 0.000 0.448 353 K N 1.376 121.784 120.400 0.014 0.000 2.057 353 K HA -0.040 4.280 4.320 -0.000 0.000 0.207 353 K C 2.171 178.770 176.600 -0.002 0.000 1.049 353 K CA 1.176 57.466 56.287 0.006 0.000 0.931 353 K CB -0.375 32.123 32.500 -0.003 0.000 0.714 353 K HN 0.289 nan 8.250 nan 0.000 0.440 354 A N 0.712 123.526 122.820 -0.010 0.000 2.024 354 A HA -0.068 4.252 4.320 -0.000 0.000 0.220 354 A C 2.063 179.642 177.584 -0.008 0.000 1.164 354 A CA 1.733 53.763 52.037 -0.012 0.000 0.643 354 A CB -0.553 18.436 19.000 -0.017 0.000 0.806 354 A HN 0.464 nan 8.150 nan 0.000 0.451 355 A N -1.746 121.073 122.820 -0.001 0.000 2.278 355 A HA 0.435 4.755 4.320 -0.000 0.000 0.212 355 A C 1.666 179.253 177.584 0.005 0.000 1.213 355 A CA 1.028 53.066 52.037 0.003 0.000 0.840 355 A CB -0.984 18.023 19.000 0.012 0.000 0.866 355 A HN 1.845 nan 8.150 nan 0.000 0.489 356 G N -0.069 108.734 108.800 0.004 0.000 2.143 356 G HA2 -0.200 3.759 3.960 -0.000 0.000 0.248 356 G HA3 -0.200 3.759 3.960 -0.000 0.000 0.248 356 G C -0.463 174.443 174.900 0.009 0.000 0.991 356 G CA 0.244 45.346 45.100 0.004 0.000 0.689 356 G HN 0.498 nan 8.290 nan 0.000 0.522 357 D N 0.355 120.766 120.400 0.018 0.000 2.505 357 D HA 0.279 4.919 4.640 -0.000 0.000 0.242 357 D C 1.262 177.577 176.300 0.025 0.000 1.136 357 D CA -0.487 53.528 54.000 0.024 0.000 0.954 357 D CB 0.152 40.976 40.800 0.039 0.000 1.002 357 D HN 0.379 nan 8.370 nan 0.000 0.512 358 N N 0.945 119.653 118.700 0.014 0.000 2.188 358 N HA -0.146 4.594 4.740 -0.000 0.000 0.184 358 N C 1.882 177.397 175.510 0.008 0.000 1.018 358 N CA 1.129 54.186 53.050 0.010 0.000 0.858 358 N CB 0.190 38.679 38.487 0.004 0.000 0.989 358 N HN 0.309 nan 8.380 nan 0.000 0.426 359 A N 0.992 123.813 122.820 0.001 0.000 1.898 359 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 359 A C 2.162 179.732 177.584 -0.022 0.000 1.181 359 A CA 1.116 53.146 52.037 -0.011 0.000 0.620 359 A CB -0.599 18.392 19.000 -0.014 0.000 0.819 359 A HN 0.298 nan 8.150 nan 0.000 0.442 360 M N -0.139 119.454 119.600 -0.012 0.000 2.080 360 M HA -0.153 4.327 4.480 -0.000 0.000 0.260 360 M C 2.269 178.586 176.300 0.028 0.000 1.068 360 M CA 1.841 57.125 55.300 -0.027 0.000 1.109 360 M CB -0.279 32.342 32.600 0.036 0.000 1.342 360 M HN 0.413 nan 8.290 nan 0.000 0.405 361 A N 0.951 123.825 122.820 0.090 0.000 1.903 361 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 361 A C 1.771 179.395 177.584 0.066 0.000 1.191 361 A CA 2.323 54.428 52.037 0.113 0.000 0.638 361 A CB -1.168 17.865 19.000 0.055 0.000 0.823 361 A HN 0.685 nan 8.150 nan 0.000 0.451 362 N N -0.236 118.473 118.700 0.015 0.000 2.166 362 N HA -0.149 4.590 4.740 -0.000 0.000 0.186 362 N C 1.883 177.377 175.510 -0.028 0.000 1.019 362 N CA 1.484 54.532 53.050 -0.003 0.000 0.856 362 N CB -0.484 37.997 38.487 -0.010 0.000 0.993 362 N HN 0.693 nan 8.380 nan 0.000 0.426 363 Q N -0.432 119.318 119.800 -0.084 0.000 2.096 363 Q HA -0.143 4.197 4.340 -0.000 0.000 0.204 363 Q C 1.518 177.404 176.000 -0.190 0.000 0.982 363 Q CA 1.321 57.022 55.803 -0.170 0.000 0.850 363 Q CB -0.225 28.336 28.738 -0.295 0.000 0.901 363 Q HN 0.463 nan 8.270 nan 0.000 0.422 364 Y N 0.586 120.853 120.300 -0.055 0.000 2.263 364 Y HA -0.163 4.387 4.550 -0.000 0.000 0.292 364 Y C 2.309 178.149 175.900 -0.099 0.000 1.130 364 Y CA 1.177 59.215 58.100 -0.105 0.000 1.179 364 Y CB -0.168 38.200 38.460 -0.152 0.000 0.998 364 Y HN 0.098 nan 8.280 nan 0.000 0.532 365 E N -0.220 120.023 120.200 0.071 0.000 2.077 365 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 365 E C 2.148 178.767 176.600 0.031 0.000 0.989 365 E CA 1.969 58.383 56.400 0.023 0.000 0.800 365 E CB -0.351 29.358 29.700 0.014 0.000 0.746 365 E HN 0.315 nan 8.360 nan 0.000 0.452 366 T N 0.554 115.121 114.554 0.021 0.000 2.746 366 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 366 T C 1.816 176.544 174.700 0.047 0.000 1.039 366 T CA 1.284 63.399 62.100 0.024 0.000 1.142 366 T CB -0.249 68.619 68.868 0.001 0.000 0.866 366 T HN 0.126 nan 8.240 nan 0.000 0.444 367 L N 0.664 121.917 121.223 0.050 0.000 2.083 367 L HA -0.082 4.258 4.340 -0.000 0.000 0.209 367 L C 3.005 179.943 176.870 0.114 0.000 1.083 367 L CA 1.193 56.087 54.840 0.091 0.000 0.752 367 L CB -0.625 41.510 42.059 0.127 0.000 0.899 367 L HN 0.237 nan 8.230 nan 0.000 0.433 368 A N 0.145 123.015 122.820 0.084 0.000 1.898 368 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 368 A C 2.052 179.808 177.584 0.287 0.000 1.181 368 A CA 1.673 53.782 52.037 0.119 0.000 0.620 368 A CB -0.514 18.413 19.000 -0.122 0.000 0.819 368 A HN 0.420 nan 8.150 nan 0.000 0.442 369 N N 0.785 119.592 118.700 0.179 0.000 2.104 369 N HA -0.150 4.589 4.740 -0.000 0.000 0.190 369 N C 1.881 177.461 175.510 0.118 0.000 1.024 369 N CA 1.701 54.842 53.050 0.151 0.000 0.853 369 N CB -0.652 37.888 38.487 0.088 0.000 1.008 369 N HN 0.476 nan 8.380 nan 0.000 0.424 370 A N 1.105 123.987 122.820 0.104 0.000 1.902 370 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 370 A C 2.319 179.960 177.584 0.095 0.000 1.181 370 A CA 1.654 53.740 52.037 0.083 0.000 0.623 370 A CB -0.478 18.566 19.000 0.073 0.000 0.818 370 A HN 0.201 nan 8.150 nan 0.000 0.443 371 R N -0.120 120.464 120.500 0.141 0.000 2.073 371 R HA -0.178 4.162 4.340 -0.000 0.000 0.234 371 R C 2.375 178.721 176.300 0.077 0.000 1.134 371 R CA 2.196 58.384 56.100 0.147 0.000 0.952 371 R CB -0.624 29.828 30.300 0.253 0.000 0.850 371 R HN 0.700 nan 8.270 nan 0.000 0.433 372 Q N 0.222 120.052 119.800 0.050 0.000 2.084 372 Q HA -0.240 4.100 4.340 -0.000 0.000 0.202 372 Q C 1.947 177.904 176.000 -0.072 0.000 0.978 372 Q CA 2.105 57.805 55.803 -0.171 0.000 0.844 372 Q CB -0.127 28.476 28.738 -0.224 0.000 0.898 372 Q HN 0.333 nan 8.270 nan 0.000 0.426 373 K N -0.604 119.792 120.400 -0.007 0.000 2.063 373 K HA -0.152 4.168 4.320 -0.000 0.000 0.208 373 K C 1.938 178.554 176.600 0.027 0.000 1.048 373 K CA 1.551 57.839 56.287 0.002 0.000 0.928 373 K CB -0.494 32.018 32.500 0.020 0.000 0.713 373 K HN 0.354 nan 8.250 nan 0.000 0.442 374 G N 1.135 109.975 108.800 0.067 0.000 2.418 374 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 374 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 374 G C 1.493 176.476 174.900 0.138 0.000 1.158 374 G CA 1.025 46.209 45.100 0.141 0.000 0.771 374 G HN 0.284 nan 8.290 nan 0.000 0.545 375 I N 0.487 121.097 120.570 0.066 0.000 2.226 375 I HA -0.107 4.063 4.170 -0.000 0.000 0.245 375 I C 2.683 178.895 176.117 0.159 0.000 1.100 375 I CA 0.990 62.340 61.300 0.082 0.000 1.374 375 I CB -0.096 37.881 38.000 -0.038 0.000 1.057 375 I HN 0.088 nan 8.210 nan 0.000 0.413 376 E N 0.679 120.927 120.200 0.079 0.000 2.204 376 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 376 E C 1.992 178.611 176.600 0.032 0.000 0.989 376 E CA 1.040 57.480 56.400 0.066 0.000 0.824 376 E CB -0.062 29.610 29.700 -0.047 0.000 0.756 376 E HN 0.481 nan 8.360 nan 0.000 0.477 377 K N -0.435 119.938 120.400 -0.044 0.000 2.078 377 K HA -0.040 4.280 4.320 -0.000 0.000 0.203 377 K C 1.477 177.893 176.600 -0.305 0.000 1.043 377 K CA 0.625 56.765 56.287 -0.246 0.000 0.960 377 K CB 0.068 32.291 32.500 -0.461 0.000 0.761 377 K HN 0.003 nan 8.250 nan 0.000 0.448 378 Y N 0.004 120.301 120.300 -0.005 0.000 2.478 378 Y HA 0.236 4.786 4.550 -0.000 0.000 0.261 378 Y C 0.889 176.846 175.900 0.095 0.000 1.127 378 Y CA 0.174 58.225 58.100 -0.080 0.000 1.288 378 Y CB 0.659 38.881 38.460 -0.396 0.000 1.084 378 Y HN -0.042 nan 8.280 nan 0.000 0.530 379 L N -0.718 120.675 121.223 0.283 0.000 3.168 379 L HA 0.184 4.524 4.340 -0.000 0.000 0.277 379 L C -0.548 176.596 176.870 0.457 0.000 1.245 379 L CA -0.065 54.973 54.840 0.331 0.000 1.035 379 L CB 0.693 42.914 42.059 0.270 0.000 1.399 379 L HN 0.234 nan 8.230 nan 0.000 0.580 380 W N 1.602 122.967 121.300 0.107 0.000 2.656 380 W HA 0.349 5.009 4.660 -0.000 0.000 0.327 380 W C -1.188 175.270 176.519 -0.101 0.000 1.041 380 W CA -0.600 56.685 57.345 -0.101 0.000 1.229 380 W CB 1.634 30.944 29.460 -0.251 0.000 1.397 380 W HN -0.100 nan 8.180 nan 0.000 0.479 381 N N 4.205 122.426 118.700 -0.798 0.000 2.500 381 N HA 0.008 4.748 4.740 -0.000 0.000 0.236 381 N C 0.091 174.896 175.510 -1.176 0.000 1.022 381 N CA 0.339 52.932 53.050 -0.762 0.000 0.935 381 N CB 1.079 39.178 38.487 -0.647 0.000 1.147 381 N HN 0.495 nan 8.380 nan 0.000 0.512 382 D N 2.493 122.495 120.400 -0.663 0.000 2.323 382 D HA -0.001 4.639 4.640 -0.000 0.000 0.209 382 D C 1.347 177.455 176.300 -0.319 0.000 0.973 382 D CA 1.063 54.850 54.000 -0.355 0.000 0.874 382 D CB 0.571 41.427 40.800 0.093 0.000 0.930 382 D HN 0.596 nan 8.370 nan 0.000 0.521 383 Q N -0.660 118.918 119.800 -0.370 0.000 2.083 383 Q HA -0.078 4.262 4.340 -0.000 0.000 0.198 383 Q C 1.631 177.363 176.000 -0.447 0.000 0.969 383 Q CA 0.838 56.453 55.803 -0.314 0.000 0.838 383 Q CB 0.129 28.720 28.738 -0.245 0.000 0.900 383 Q HN 0.278 nan 8.270 nan 0.000 0.436 384 Q N -1.071 118.276 119.800 -0.755 0.000 2.396 384 Q HA 0.119 4.459 4.340 -0.000 0.000 0.209 384 Q C 0.734 176.055 176.000 -1.131 0.000 0.906 384 Q CA 0.859 55.997 55.803 -1.108 0.000 0.927 384 Q CB 1.158 28.782 28.738 -1.856 0.000 1.069 384 Q HN 0.497 nan 8.270 nan 0.000 0.523 385 G N 1.494 109.669 108.800 -1.042 0.000 2.303 385 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.260 385 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.260 385 G C -0.697 173.749 174.900 -0.757 0.000 1.106 385 G CA 0.325 44.985 45.100 -0.734 0.000 0.900 385 G HN 0.232 nan 8.290 nan 0.000 0.495 386 W N -2.131 118.409 121.300 -1.266 0.000 3.146 386 W HA 0.757 5.417 4.660 -0.000 0.000 0.319 386 W C -0.595 175.451 176.519 -0.788 0.000 1.258 386 W CA -3.257 53.590 57.345 -0.830 0.000 1.189 386 W CB 0.532 29.813 29.460 -0.300 0.000 1.412 386 W HN 0.121 nan 8.180 nan 0.000 0.567 387 Y N 2.064 122.542 120.300 0.297 0.000 2.480 387 Y HA 0.464 5.013 4.550 -0.000 0.000 0.338 387 Y C 0.880 176.923 175.900 0.240 0.000 1.220 387 Y CA 1.193 59.482 58.100 0.314 0.000 1.430 387 Y CB 0.631 39.288 38.460 0.329 0.000 1.311 387 Y HN 0.767 nan 8.280 nan 0.000 0.575 388 A N 1.677 124.697 122.820 0.333 0.000 2.599 388 A HA 0.483 4.803 4.320 -0.000 0.000 0.290 388 A C -1.399 176.290 177.584 0.176 0.000 1.101 388 A CA -1.099 51.066 52.037 0.214 0.000 0.674 388 A CB 1.030 20.146 19.000 0.194 0.000 1.277 388 A HN 0.579 nan 8.150 nan 0.000 0.419 389 D N -0.236 120.226 120.400 0.103 0.000 2.360 389 D HA 0.379 5.019 4.640 -0.000 0.000 0.242 389 D C -1.055 175.355 176.300 0.184 0.000 1.184 389 D CA 0.839 54.907 54.000 0.113 0.000 0.930 389 D CB 0.658 41.487 40.800 0.048 0.000 1.161 389 D HN 0.434 nan 8.370 nan 0.000 0.447 390 Y N 0.519 120.860 120.300 0.069 0.000 2.360 390 Y HA 0.172 4.722 4.550 -0.000 0.000 0.337 390 Y C -0.482 175.443 175.900 0.041 0.000 1.039 390 Y CA -0.786 57.355 58.100 0.069 0.000 1.109 390 Y CB 1.283 39.791 38.460 0.081 0.000 1.201 390 Y HN 0.111 nan 8.280 nan 0.000 0.458 391 D N 6.228 126.262 120.400 -0.610 0.000 2.359 391 D HA 0.155 4.795 4.640 -0.000 0.000 0.230 391 D C 0.579 176.507 176.300 -0.621 0.000 1.118 391 D CA 0.089 53.829 54.000 -0.434 0.000 0.844 391 D CB 1.105 41.733 40.800 -0.285 0.000 1.059 391 D HN 0.858 nan 8.370 nan 0.000 0.493 392 L N 3.480 124.515 121.223 -0.314 0.000 2.217 392 L HA -0.054 4.286 4.340 -0.000 0.000 0.211 392 L C 2.398 179.061 176.870 -0.346 0.000 1.107 392 L CA 0.628 55.289 54.840 -0.299 0.000 0.783 392 L CB -0.054 41.925 42.059 -0.133 0.000 0.919 392 L HN 0.345 nan 8.230 nan 0.000 0.442 393 K N 0.334 120.627 120.400 -0.178 0.000 2.025 393 K HA -0.143 4.177 4.320 -0.000 0.000 0.207 393 K C 2.218 178.838 176.600 0.033 0.000 1.049 393 K CA 1.707 57.957 56.287 -0.061 0.000 0.933 393 K CB 0.062 32.548 32.500 -0.024 0.000 0.714 393 K HN 0.297 nan 8.250 nan 0.000 0.438 394 S N -0.862 114.824 115.700 -0.023 0.000 2.548 394 S HA -0.012 4.458 4.470 -0.000 0.000 0.215 394 S C -0.081 174.608 174.600 0.147 0.000 0.976 394 S CA -0.113 58.120 58.200 0.055 0.000 0.908 394 S CB -0.320 62.868 63.200 -0.020 0.000 0.781 394 S HN 0.417 nan 8.310 nan 0.000 0.519 395 H N 0.144 119.112 119.070 -0.169 0.000 2.770 395 H HA -0.097 4.459 4.556 -0.000 0.000 0.309 395 H C -0.791 174.497 175.328 -0.068 0.000 1.206 395 H CA 0.854 56.852 56.048 -0.084 0.000 1.147 395 H CB -1.989 27.829 29.762 0.094 0.000 1.422 395 H HN 0.363 nan 8.280 nan 0.000 0.420 396 K N -0.044 120.168 120.400 -0.313 0.000 2.502 396 K HA 0.460 4.780 4.320 -0.000 0.000 0.257 396 K C 0.083 176.592 176.600 -0.151 0.000 0.938 396 K CA -0.509 55.742 56.287 -0.061 0.000 0.819 396 K CB 2.975 35.462 32.500 -0.022 0.000 1.333 396 K HN 0.139 nan 8.250 nan 0.000 0.434 397 V N 2.673 122.701 119.914 0.191 0.000 2.655 397 V HA 0.196 4.316 4.120 -0.000 0.000 0.300 397 V C 0.928 177.044 176.094 0.036 0.000 1.044 397 V CA -0.068 62.350 62.300 0.196 0.000 1.095 397 V CB 0.198 32.123 31.823 0.170 0.000 0.952 397 V HN 0.611 nan 8.190 nan 0.000 0.485 398 R N 2.646 123.167 120.500 0.036 0.000 2.637 398 R HA 0.167 4.507 4.340 -0.000 0.000 0.269 398 R C 1.159 177.483 176.300 0.041 0.000 1.089 398 R CA -0.140 55.971 56.100 0.017 0.000 1.177 398 R CB 0.280 30.591 30.300 0.018 0.000 1.091 398 R HN 0.771 nan 8.270 nan 0.000 0.540 399 N N 0.148 118.879 118.700 0.053 0.000 2.336 399 N HA -0.115 4.625 4.740 -0.000 0.000 0.177 399 N C -0.091 175.591 175.510 0.287 0.000 1.018 399 N CA 0.433 53.546 53.050 0.105 0.000 0.878 399 N CB 0.359 38.881 38.487 0.059 0.000 0.997 399 N HN 0.422 nan 8.380 nan 0.000 0.433 400 Q N 0.799 120.689 119.800 0.149 0.000 2.300 400 Q HA 0.043 4.383 4.340 -0.000 0.000 0.280 400 Q C -0.995 174.988 176.000 -0.029 0.000 1.033 400 Q CA -0.291 55.552 55.803 0.066 0.000 0.903 400 Q CB 0.430 29.165 28.738 -0.006 0.000 1.195 400 Q HN 0.300 nan 8.270 nan 0.000 0.386 401 L N 5.065 126.083 121.223 -0.342 0.000 2.265 401 L HA 0.441 4.781 4.340 -0.000 0.000 0.288 401 L C -0.496 176.177 176.870 -0.328 0.000 1.058 401 L CA 0.449 54.849 54.840 -0.733 0.000 0.809 401 L CB 1.198 42.288 42.059 -1.615 0.000 1.179 401 L HN 0.806 nan 8.230 nan 0.000 0.429 402 T N 1.440 115.893 114.554 -0.168 0.000 2.864 402 T HA 0.687 5.037 4.350 -0.000 0.000 0.289 402 T C 0.898 175.679 174.700 0.135 0.000 1.082 402 T CA -0.262 61.865 62.100 0.045 0.000 1.009 402 T CB 1.302 70.253 68.868 0.138 0.000 1.234 402 T HN 0.651 nan 8.240 nan 0.000 0.526 403 A N 0.278 123.293 122.820 0.326 0.000 2.125 403 A HA 0.298 4.618 4.320 -0.000 0.000 0.219 403 A C 2.443 180.304 177.584 0.461 0.000 1.156 403 A CA 1.675 53.916 52.037 0.339 0.000 0.671 403 A CB -1.447 17.758 19.000 0.340 0.000 0.794 403 A HN 1.332 nan 8.150 nan 0.000 0.459 404 A N -0.084 123.010 122.820 0.455 0.000 2.019 404 A HA 0.162 4.482 4.320 -0.000 0.000 0.219 404 A C 2.331 180.121 177.584 0.343 0.000 1.164 404 A CA 1.655 53.895 52.037 0.339 0.000 0.644 404 A CB -0.761 18.125 19.000 -0.191 0.000 0.805 404 A HN 1.074 nan 8.150 nan 0.000 0.449 405 A N -0.709 122.255 122.820 0.240 0.000 2.125 405 A HA 0.032 4.352 4.320 -0.000 0.000 0.219 405 A C 1.740 179.493 177.584 0.281 0.000 1.156 405 A CA 1.190 53.386 52.037 0.266 0.000 0.671 405 A CB -0.307 18.811 19.000 0.196 0.000 0.794 405 A HN 0.386 nan 8.150 nan 0.000 0.459 406 L N -1.909 119.464 121.223 0.250 0.000 2.492 406 L HA 0.056 4.396 4.340 -0.000 0.000 0.223 406 L C 1.853 178.803 176.870 0.133 0.000 1.132 406 L CA 0.965 55.895 54.840 0.150 0.000 0.850 406 L CB -1.568 40.528 42.059 0.062 0.000 0.966 406 L HN 0.390 nan 8.230 nan 0.000 0.454 407 F N 1.229 121.229 119.950 0.083 0.000 2.171 407 F HA -0.100 4.427 4.527 -0.000 0.000 0.300 407 F C -0.109 175.714 175.800 0.039 0.000 1.090 407 F CA 1.489 59.563 58.000 0.124 0.000 1.293 407 F CB -1.734 37.336 39.000 0.117 0.000 1.013 407 F HN 0.174 nan 8.300 nan 0.000 0.486 408 P HA -0.149 nan 4.420 nan 0.000 0.218 408 P C 1.650 178.868 177.300 -0.137 0.000 1.149 408 P CA 1.206 64.144 63.100 -0.269 0.000 0.817 408 P CB 0.034 31.161 31.700 -0.955 0.000 0.785 409 L N -2.355 118.830 121.223 -0.064 0.000 2.027 409 L HA -0.150 4.190 4.340 -0.000 0.000 0.206 409 L C 2.447 179.471 176.870 0.257 0.000 1.074 409 L CA 1.653 56.538 54.840 0.075 0.000 0.745 409 L CB -1.707 40.356 42.059 0.006 0.000 0.898 409 L HN -0.059 nan 8.230 nan 0.000 0.433 410 Y N 0.523 120.839 120.300 0.026 0.000 2.151 410 Y HA -0.230 4.320 4.550 -0.000 0.000 0.284 410 Y C 2.210 178.142 175.900 0.052 0.000 1.166 410 Y CA 1.860 59.953 58.100 -0.012 0.000 1.163 410 Y CB -0.295 38.075 38.460 -0.150 0.000 0.974 410 Y HN 0.079 nan 8.280 nan 0.000 0.511 411 V N -2.183 117.764 119.914 0.056 0.000 3.633 411 V HA 0.164 4.284 4.120 -0.000 0.000 0.283 411 V C 0.426 176.617 176.094 0.160 0.000 1.305 411 V CA 0.630 62.945 62.300 0.024 0.000 1.153 411 V CB -0.888 31.049 31.823 0.190 0.000 0.950 411 V HN 0.564 nan 8.190 nan 0.000 0.432 412 N N 0.150 118.938 118.700 0.146 0.000 2.725 412 N HA -0.235 4.505 4.740 -0.000 0.000 0.249 412 N C 0.961 176.555 175.510 0.140 0.000 1.103 412 N CA 1.111 54.270 53.050 0.181 0.000 0.707 412 N CB -1.235 37.291 38.487 0.065 0.000 1.043 412 N HN 0.840 nan 8.380 nan 0.000 0.553 413 A N -0.791 121.977 122.820 -0.088 0.000 2.081 413 A HA 0.450 4.770 4.320 -0.000 0.000 0.214 413 A C 1.242 178.683 177.584 -0.237 0.000 1.158 413 A CA 1.095 52.829 52.037 -0.506 0.000 0.724 413 A CB 0.255 18.720 19.000 -0.892 0.000 0.826 413 A HN 0.538 nan 8.150 nan 0.000 0.463 414 A N 0.230 122.996 122.820 -0.091 0.000 2.388 414 A HA 0.617 4.936 4.320 -0.000 0.000 0.257 414 A C 0.730 178.317 177.584 0.004 0.000 1.095 414 A CA 0.086 52.069 52.037 -0.090 0.000 0.791 414 A CB -0.126 18.739 19.000 -0.225 0.000 1.029 414 A HN 1.233 nan 8.150 nan 0.000 0.489 415 A N 1.497 124.287 122.820 -0.051 0.000 2.483 415 A HA 0.476 4.796 4.320 -0.000 0.000 0.238 415 A C 1.619 179.180 177.584 -0.038 0.000 1.070 415 A CA 0.573 52.581 52.037 -0.048 0.000 0.770 415 A CB -0.232 18.679 19.000 -0.148 0.000 1.008 415 A HN 1.671 nan 8.150 nan 0.000 0.497 416 K N 1.268 121.711 120.400 0.072 0.000 2.097 416 K HA -0.198 4.122 4.320 -0.000 0.000 0.206 416 K C 1.428 178.028 176.600 -0.001 0.000 1.049 416 K CA 2.142 58.504 56.287 0.124 0.000 0.933 416 K CB -0.984 31.611 32.500 0.159 0.000 0.717 416 K HN 0.988 nan 8.250 nan 0.000 0.442 417 D N -0.094 120.278 120.400 -0.046 0.000 2.178 417 D HA -0.206 4.434 4.640 -0.000 0.000 0.202 417 D C 1.915 178.153 176.300 -0.104 0.000 0.974 417 D CA 0.962 54.926 54.000 -0.061 0.000 0.841 417 D CB -0.210 40.548 40.800 -0.069 0.000 0.953 417 D HN 0.540 nan 8.370 nan 0.000 0.478 418 R N 0.524 120.888 120.500 -0.227 0.000 2.093 418 R HA 0.118 4.458 4.340 -0.000 0.000 0.224 418 R C 2.640 178.903 176.300 -0.063 0.000 1.101 418 R CA 0.963 56.864 56.100 -0.333 0.000 0.979 418 R CB -0.258 29.565 30.300 -0.795 0.000 0.877 418 R HN 0.202 nan 8.270 nan 0.000 0.441 419 A N 1.931 124.649 122.820 -0.169 0.000 1.908 419 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 419 A C 1.670 179.221 177.584 -0.055 0.000 1.181 419 A CA 1.586 53.467 52.037 -0.261 0.000 0.627 419 A CB -0.412 18.062 19.000 -0.877 0.000 0.818 419 A HN 0.244 nan 8.150 nan 0.000 0.445 420 N N -0.050 118.646 118.700 -0.006 0.000 2.188 420 N HA -0.093 4.647 4.740 -0.000 0.000 0.184 420 N C 1.576 177.140 175.510 0.091 0.000 1.018 420 N CA 1.348 54.429 53.050 0.052 0.000 0.858 420 N CB -0.337 38.181 38.487 0.052 0.000 0.989 420 N HN 0.562 nan 8.380 nan 0.000 0.426 421 K N 0.204 120.676 120.400 0.120 0.000 2.057 421 K HA 0.000 4.320 4.320 -0.000 0.000 0.207 421 K C 1.845 178.588 176.600 0.239 0.000 1.049 421 K CA 0.932 57.340 56.287 0.202 0.000 0.931 421 K CB -0.052 32.640 32.500 0.320 0.000 0.714 421 K HN 0.072 nan 8.250 nan 0.000 0.440 422 M N 0.288 120.038 119.600 0.249 0.000 2.149 422 M HA -0.122 4.358 4.480 -0.000 0.000 0.261 422 M C 2.341 178.736 176.300 0.159 0.000 1.064 422 M CA 1.356 56.800 55.300 0.240 0.000 1.102 422 M CB -1.075 31.680 32.600 0.258 0.000 1.369 422 M HN 0.163 nan 8.290 nan 0.000 0.408 423 A N -0.249 122.642 122.820 0.119 0.000 1.902 423 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 423 A C 2.338 179.981 177.584 0.099 0.000 1.181 423 A CA 2.269 54.361 52.037 0.092 0.000 0.623 423 A CB -1.049 17.997 19.000 0.076 0.000 0.818 423 A HN 0.479 nan 8.150 nan 0.000 0.443 424 T N 0.324 114.950 114.554 0.120 0.000 2.701 424 T HA 0.005 4.355 4.350 -0.000 0.000 0.263 424 T C 2.284 177.082 174.700 0.163 0.000 1.040 424 T CA 1.629 63.803 62.100 0.125 0.000 1.147 424 T CB -0.568 68.379 68.868 0.130 0.000 0.865 424 T HN 0.600 nan 8.240 nan 0.000 0.426 425 A N 1.383 124.340 122.820 0.229 0.000 1.948 425 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 425 A C 2.540 180.243 177.584 0.199 0.000 1.177 425 A CA 2.266 54.483 52.037 0.300 0.000 0.636 425 A CB -1.361 17.815 19.000 0.294 0.000 0.815 425 A HN 0.493 nan 8.150 nan 0.000 0.449 426 T N -0.230 114.397 114.554 0.122 0.000 2.674 426 T HA -0.134 4.216 4.350 -0.000 0.000 0.265 426 T C 1.968 176.706 174.700 0.063 0.000 1.039 426 T CA 1.697 63.842 62.100 0.075 0.000 1.150 426 T CB -0.203 68.700 68.868 0.059 0.000 0.864 426 T HN 0.548 nan 8.240 nan 0.000 0.427 427 K N 0.660 121.094 120.400 0.057 0.000 2.009 427 K HA -0.146 4.174 4.320 -0.000 0.000 0.210 427 K C 2.789 179.393 176.600 0.007 0.000 1.049 427 K CA 1.920 58.226 56.287 0.032 0.000 0.929 427 K CB -0.464 32.056 32.500 0.032 0.000 0.714 427 K HN 0.529 nan 8.250 nan 0.000 0.440 428 T N -2.036 112.510 114.554 -0.013 0.000 2.821 428 T HA -0.121 4.229 4.350 -0.000 0.000 0.267 428 T C 1.533 176.060 174.700 -0.287 0.000 1.046 428 T CA 1.383 63.385 62.100 -0.162 0.000 1.139 428 T CB -0.227 68.504 68.868 -0.229 0.000 0.871 428 T HN 0.326 nan 8.240 nan 0.000 0.454 429 H N -0.564 118.497 119.070 -0.015 0.000 2.695 429 H HA 0.514 5.070 4.556 -0.000 0.000 0.267 429 H C 1.763 177.063 175.328 -0.047 0.000 0.973 429 H CA 0.207 56.224 56.048 -0.052 0.000 1.223 429 H CB 0.477 30.151 29.762 -0.147 0.000 1.442 429 H HN 0.182 nan 8.280 nan 0.000 0.478 430 L N -0.062 121.209 121.223 0.079 0.000 2.642 430 L HA 0.193 4.533 4.340 -0.000 0.000 0.233 430 L C -0.206 176.689 176.870 0.042 0.000 1.077 430 L CA -0.221 54.646 54.840 0.045 0.000 0.879 430 L CB 0.601 42.675 42.059 0.025 0.000 1.151 430 L HN 0.095 nan 8.230 nan 0.000 0.495 431 L N 1.492 122.740 121.223 0.043 0.000 2.410 431 L HA 0.213 4.553 4.340 -0.000 0.000 0.273 431 L C -0.194 176.731 176.870 0.092 0.000 1.144 431 L CA 0.753 55.626 54.840 0.055 0.000 0.863 431 L CB 0.203 42.279 42.059 0.030 0.000 1.140 431 L HN 0.064 nan 8.230 nan 0.000 0.463 432 Q N 5.362 125.242 119.800 0.133 0.000 2.496 432 Q HA 0.437 4.777 4.340 -0.000 0.000 0.286 432 Q C -2.039 174.086 176.000 0.208 0.000 1.103 432 Q CA -1.835 54.046 55.803 0.130 0.000 0.813 432 Q CB 1.359 30.143 28.738 0.076 0.000 1.444 432 Q HN 0.340 nan 8.270 nan 0.000 0.443 433 P HA -0.101 nan 4.420 nan 0.000 0.218 433 P C 0.745 177.992 177.300 -0.089 0.000 1.148 433 P CA 1.441 64.469 63.100 -0.121 0.000 0.822 433 P CB 0.218 31.855 31.700 -0.105 0.000 0.784 434 G N -2.215 106.605 108.800 0.034 0.000 3.284 434 G HA2 0.483 4.443 3.960 -0.000 0.000 0.236 434 G HA3 0.483 4.443 3.960 -0.000 0.000 0.236 434 G C 0.530 175.529 174.900 0.165 0.000 1.158 434 G CA 0.318 45.449 45.100 0.051 0.000 0.774 434 G HN 0.555 nan 8.290 nan 0.000 0.545 435 G N -0.584 108.354 108.800 0.231 0.000 2.298 435 G HA2 0.159 4.119 3.960 -0.000 0.000 0.309 435 G HA3 0.159 4.119 3.960 -0.000 0.000 0.309 435 G C -1.228 173.739 174.900 0.111 0.000 1.279 435 G CA -0.546 44.692 45.100 0.230 0.000 1.042 435 G HN 0.719 nan 8.290 nan 0.000 0.480 436 L N 1.112 122.343 121.223 0.013 0.000 2.319 436 L HA 0.598 4.938 4.340 -0.000 0.000 0.280 436 L C 0.484 177.343 176.870 -0.018 0.000 1.099 436 L CA -0.731 54.101 54.840 -0.014 0.000 0.828 436 L CB 0.774 42.795 42.059 -0.063 0.000 1.150 436 L HN 0.627 nan 8.230 nan 0.000 0.442 437 N N 2.487 121.193 118.700 0.010 0.000 2.508 437 N HA 0.108 4.848 4.740 -0.000 0.000 0.264 437 N C 0.754 176.275 175.510 0.019 0.000 1.216 437 N CA 0.200 53.255 53.050 0.008 0.000 0.943 437 N CB 1.560 40.061 38.487 0.023 0.000 1.113 437 N HN 0.732 nan 8.380 nan 0.000 0.447 438 T N -0.104 114.458 114.554 0.013 0.000 2.812 438 T HA -0.031 4.319 4.350 -0.000 0.000 0.264 438 T C 0.772 175.550 174.700 0.129 0.000 1.042 438 T CA 1.505 63.623 62.100 0.030 0.000 1.140 438 T CB -0.058 68.775 68.868 -0.058 0.000 0.870 438 T HN 0.814 nan 8.240 nan 0.000 0.445 439 T N -1.178 113.434 114.554 0.096 0.000 2.681 439 T HA 0.466 4.816 4.350 -0.000 0.000 0.296 439 T C 0.241 174.967 174.700 0.045 0.000 1.157 439 T CA -0.225 61.927 62.100 0.088 0.000 1.025 439 T CB 1.639 70.577 68.868 0.116 0.000 1.441 439 T HN -0.032 nan 8.240 nan 0.000 0.504 440 S N -0.671 115.043 115.700 0.024 0.000 2.601 440 S HA 0.440 4.910 4.470 -0.000 0.000 0.244 440 S C -0.120 174.502 174.600 0.038 0.000 1.001 440 S CA -0.481 57.736 58.200 0.030 0.000 0.984 440 S CB -0.286 62.932 63.200 0.030 0.000 0.842 440 S HN 0.671 nan 8.310 nan 0.000 0.474 441 V N 2.211 122.152 119.914 0.046 0.000 2.334 441 V HA 0.403 4.522 4.120 -0.000 0.000 0.281 441 V C 0.063 176.193 176.094 0.060 0.000 1.016 441 V CA -0.679 61.652 62.300 0.052 0.000 0.832 441 V CB 1.372 33.228 31.823 0.055 0.000 0.999 441 V HN 0.380 nan 8.190 nan 0.000 0.439 442 K N 3.015 123.446 120.400 0.051 0.000 2.142 442 K HA 0.153 4.473 4.320 -0.000 0.000 0.250 442 K C 1.273 177.909 176.600 0.059 0.000 1.148 442 K CA 0.134 56.451 56.287 0.050 0.000 1.040 442 K CB 0.252 32.774 32.500 0.037 0.000 1.569 442 K HN 0.848 nan 8.250 nan 0.000 0.361 443 S N 1.618 117.365 115.700 0.078 0.000 2.501 443 S HA 0.095 4.565 4.470 -0.000 0.000 0.220 443 S C 1.427 176.082 174.600 0.091 0.000 0.997 443 S CA 0.419 58.672 58.200 0.088 0.000 0.919 443 S CB 0.112 63.380 63.200 0.114 0.000 0.778 443 S HN 0.772 nan 8.310 nan 0.000 0.523 444 G N 0.343 109.198 108.800 0.091 0.000 2.195 444 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.246 444 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.246 444 G C -0.016 174.965 174.900 0.136 0.000 0.984 444 G CA 0.062 45.219 45.100 0.095 0.000 0.633 444 G HN 0.513 nan 8.290 nan 0.000 0.525 445 Q N 0.070 119.974 119.800 0.174 0.000 2.317 445 Q HA 0.412 4.752 4.340 -0.000 0.000 0.229 445 Q C 1.395 177.539 176.000 0.241 0.000 0.984 445 Q CA -0.494 55.462 55.803 0.254 0.000 0.911 445 Q CB 0.678 29.612 28.738 0.327 0.000 1.217 445 Q HN 0.329 nan 8.270 nan 0.000 0.501 446 Q N 0.278 120.263 119.800 0.308 0.000 2.050 446 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 446 Q C 0.169 176.250 176.000 0.134 0.000 0.980 446 Q CA 1.315 57.278 55.803 0.267 0.000 0.840 446 Q CB 0.028 28.994 28.738 0.381 0.000 0.898 446 Q HN 0.550 nan 8.270 nan 0.000 0.424 447 W N 2.004 123.410 121.300 0.176 0.000 1.611 447 W HA 0.265 4.925 4.660 -0.000 0.000 0.395 447 W C -0.445 176.102 176.519 0.047 0.000 0.698 447 W CA -0.295 57.031 57.345 -0.032 0.000 1.845 447 W CB 0.393 29.692 29.460 -0.270 0.000 1.818 447 W HN -0.107 nan 8.180 nan 0.000 0.270 448 D N -0.513 119.974 120.400 0.146 0.000 2.694 448 D HA 0.302 4.942 4.640 -0.000 0.000 0.260 448 D C -0.566 175.771 176.300 0.062 0.000 1.250 448 D CA -0.689 53.387 54.000 0.127 0.000 0.763 448 D CB 1.471 42.362 40.800 0.151 0.000 1.311 448 D HN -0.032 nan 8.370 nan 0.000 0.420 449 A N 1.492 124.343 122.820 0.052 0.000 2.587 449 A HA 0.250 4.570 4.320 -0.000 0.000 0.233 449 A C -1.708 175.887 177.584 0.018 0.000 1.049 449 A CA -0.099 51.953 52.037 0.025 0.000 0.754 449 A CB -0.084 18.936 19.000 0.032 0.000 0.977 449 A HN 0.326 nan 8.150 nan 0.000 0.509 450 P HA 0.085 nan 4.420 nan 0.000 0.249 450 P C -0.667 176.591 177.300 -0.070 0.000 1.583 450 P CA -0.241 62.844 63.100 -0.024 0.000 0.988 450 P CB -0.091 31.595 31.700 -0.023 0.000 1.530 451 N N 0.819 119.456 118.700 -0.104 0.000 2.472 451 N HA 0.309 5.049 4.740 -0.000 0.000 0.277 451 N C 0.567 175.910 175.510 -0.278 0.000 1.081 451 N CA 0.156 53.051 53.050 -0.259 0.000 0.973 451 N CB 1.406 39.699 38.487 -0.323 0.000 1.105 451 N HN 0.065 nan 8.380 nan 0.000 0.470 452 G N 1.358 109.955 108.800 -0.338 0.000 2.417 452 G HA2 0.486 4.446 3.960 -0.000 0.000 0.320 452 G HA3 0.486 4.446 3.960 -0.000 0.000 0.320 452 G C -1.360 173.289 174.900 -0.419 0.000 1.204 452 G CA -0.569 44.389 45.100 -0.236 0.000 0.923 452 G HN 0.454 nan 8.290 nan 0.000 0.466 453 W N 1.899 122.918 121.300 -0.468 0.000 2.532 453 W HA 0.517 5.177 4.660 -0.000 0.000 0.321 453 W C 0.973 177.016 176.519 -0.793 0.000 1.037 453 W CA -0.365 56.607 57.345 -0.622 0.000 1.220 453 W CB 2.181 31.076 29.460 -0.942 0.000 1.361 453 W HN 0.735 nan 8.180 nan 0.000 0.468 454 A N 5.425 127.921 122.820 -0.541 0.000 1.896 454 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 454 A C -0.150 176.933 177.584 -0.836 0.000 1.206 454 A CA 2.268 53.913 52.037 -0.654 0.000 0.647 454 A CB -1.912 16.948 19.000 -0.233 0.000 0.828 454 A HN 0.513 nan 8.150 nan 0.000 0.455 455 P HA -0.172 nan 4.420 nan 0.000 0.215 455 P C 1.567 178.412 177.300 -0.758 0.000 1.157 455 P CA 1.289 63.370 63.100 -1.700 0.000 0.874 455 P CB -0.291 30.084 31.700 -2.207 0.000 0.790 456 L N -0.843 120.103 121.223 -0.462 0.000 2.141 456 L HA -0.160 4.180 4.340 -0.000 0.000 0.209 456 L C 2.932 179.667 176.870 -0.226 0.000 1.094 456 L CA 1.222 55.970 54.840 -0.153 0.000 0.763 456 L CB -1.011 41.058 42.059 0.017 0.000 0.908 456 L HN -0.013 nan 8.230 nan 0.000 0.437 457 Q N -0.635 118.939 119.800 -0.377 0.000 2.084 457 Q HA -0.252 4.088 4.340 -0.000 0.000 0.202 457 Q C 2.005 177.926 176.000 -0.132 0.000 0.978 457 Q CA 1.770 57.362 55.803 -0.352 0.000 0.844 457 Q CB -0.574 27.721 28.738 -0.738 0.000 0.898 457 Q HN 0.671 nan 8.270 nan 0.000 0.426 458 W N 1.142 122.265 121.300 -0.293 0.000 2.409 458 W HA -0.113 4.547 4.660 -0.000 0.000 0.299 458 W C 1.847 178.301 176.519 -0.107 0.000 1.203 458 W CA 0.889 58.173 57.345 -0.102 0.000 1.298 458 W CB 0.242 29.736 29.460 0.056 0.000 1.127 458 W HN -0.085 nan 8.180 nan 0.000 0.528 459 V N 1.791 121.539 119.914 -0.277 0.000 2.287 459 V HA -0.334 3.785 4.120 -0.000 0.000 0.248 459 V C 2.655 178.471 176.094 -0.464 0.000 1.053 459 V CA 2.436 64.278 62.300 -0.764 0.000 1.027 459 V CB -1.619 29.580 31.823 -1.041 0.000 0.646 459 V HN 0.271 nan 8.190 nan 0.000 0.447 460 A N -0.483 122.167 122.820 -0.283 0.000 1.877 460 A HA -0.233 4.087 4.320 -0.000 0.000 0.216 460 A C 2.405 179.899 177.584 -0.150 0.000 1.186 460 A CA 2.556 54.501 52.037 -0.153 0.000 0.620 460 A CB -1.116 17.829 19.000 -0.091 0.000 0.822 460 A HN 0.496 nan 8.150 nan 0.000 0.443 461 T N 0.065 114.495 114.554 -0.206 0.000 2.635 461 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 461 T C 1.869 176.391 174.700 -0.296 0.000 1.040 461 T CA 1.658 63.622 62.100 -0.227 0.000 1.156 461 T CB -0.277 68.456 68.868 -0.226 0.000 0.863 461 T HN 0.476 nan 8.240 nan 0.000 0.430 462 E N 0.562 120.471 120.200 -0.485 0.000 2.072 462 E HA -0.027 4.323 4.350 -0.000 0.000 0.191 462 E C 2.602 179.177 176.600 -0.043 0.000 0.985 462 E CA 1.092 57.291 56.400 -0.335 0.000 0.801 462 E CB -0.863 28.619 29.700 -0.364 0.000 0.750 462 E HN 0.564 nan 8.360 nan 0.000 0.452 463 G N 1.494 110.322 108.800 0.047 0.000 2.476 463 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 463 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 463 G C 1.764 176.763 174.900 0.166 0.000 1.164 463 G CA 0.811 45.999 45.100 0.146 0.000 0.768 463 G HN 0.174 nan 8.290 nan 0.000 0.560 464 L N -0.210 121.057 121.223 0.073 0.000 2.056 464 L HA -0.078 4.262 4.340 -0.000 0.000 0.207 464 L C 3.204 180.137 176.870 0.104 0.000 1.078 464 L CA 0.892 55.788 54.840 0.093 0.000 0.749 464 L CB -0.380 41.703 42.059 0.041 0.000 0.901 464 L HN 0.140 nan 8.230 nan 0.000 0.433 465 Q N 0.083 119.906 119.800 0.037 0.000 2.096 465 Q HA -0.205 4.135 4.340 -0.000 0.000 0.204 465 Q C 2.016 178.033 176.000 0.028 0.000 0.982 465 Q CA 1.368 57.183 55.803 0.021 0.000 0.850 465 Q CB -0.586 28.135 28.738 -0.030 0.000 0.901 465 Q HN 0.515 nan 8.270 nan 0.000 0.422 466 N N -0.068 118.654 118.700 0.036 0.000 2.192 466 N HA -0.162 4.578 4.740 -0.000 0.000 0.188 466 N C 0.806 176.192 175.510 -0.206 0.000 1.013 466 N CA 1.139 54.147 53.050 -0.070 0.000 0.863 466 N CB -0.230 38.231 38.487 -0.043 0.000 0.990 466 N HN 0.402 nan 8.380 nan 0.000 0.430 467 Y N -0.975 119.329 120.300 0.006 0.000 2.607 467 Y HA 0.339 4.889 4.550 -0.000 0.000 0.266 467 Y C 1.443 177.353 175.900 0.017 0.000 1.178 467 Y CA -0.190 57.918 58.100 0.014 0.000 1.226 467 Y CB 0.321 38.796 38.460 0.024 0.000 1.144 467 Y HN 0.024 nan 8.280 nan 0.000 0.528 468 G N 0.365 109.225 108.800 0.100 0.000 2.160 468 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.251 468 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.251 468 G C 0.262 175.210 174.900 0.081 0.000 1.008 468 G CA -0.171 44.971 45.100 0.070 0.000 0.724 468 G HN 0.309 nan 8.290 nan 0.000 0.514 469 Q N 0.052 119.910 119.800 0.097 0.000 3.150 469 Q HA 0.220 4.560 4.340 -0.000 0.000 0.297 469 Q C 1.531 177.566 176.000 0.059 0.000 1.382 469 Q CA 0.217 56.067 55.803 0.078 0.000 1.059 469 Q CB 0.884 29.674 28.738 0.086 0.000 1.559 469 Q HN 0.383 nan 8.270 nan 0.000 0.548 470 K N 1.265 121.697 120.400 0.055 0.000 2.097 470 K HA -0.157 4.163 4.320 -0.000 0.000 0.206 470 K C 1.569 178.202 176.600 0.054 0.000 1.049 470 K CA 1.477 57.795 56.287 0.053 0.000 0.933 470 K CB 0.216 32.749 32.500 0.055 0.000 0.717 470 K HN 0.623 nan 8.250 nan 0.000 0.442 471 E N -0.153 120.074 120.200 0.046 0.000 2.031 471 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 471 E C 1.954 178.570 176.600 0.027 0.000 0.994 471 E CA 1.813 58.236 56.400 0.039 0.000 0.800 471 E CB -0.092 29.626 29.700 0.030 0.000 0.752 471 E HN 0.336 nan 8.360 nan 0.000 0.447 472 V N 1.473 121.400 119.914 0.022 0.000 2.343 472 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 472 V C 2.563 178.655 176.094 -0.004 0.000 1.051 472 V CA 1.771 64.073 62.300 0.003 0.000 1.036 472 V CB -1.018 30.816 31.823 0.017 0.000 0.654 472 V HN 0.376 nan 8.190 nan 0.000 0.451 473 A N -0.170 122.658 122.820 0.014 0.000 1.908 473 A HA -0.231 4.088 4.320 -0.000 0.000 0.218 473 A C 2.239 179.846 177.584 0.038 0.000 1.181 473 A CA 2.207 54.248 52.037 0.007 0.000 0.627 473 A CB -0.501 18.500 19.000 0.002 0.000 0.818 473 A HN 0.402 nan 8.150 nan 0.000 0.445 474 M N -0.039 119.609 119.600 0.079 0.000 2.117 474 M HA -0.113 4.367 4.480 -0.000 0.000 0.262 474 M C 1.527 177.947 176.300 0.199 0.000 1.065 474 M CA 1.368 56.777 55.300 0.182 0.000 1.114 474 M CB -1.610 31.123 32.600 0.222 0.000 1.361 474 M HN 0.353 nan 8.290 nan 0.000 0.408 475 D N 0.575 120.993 120.400 0.030 0.000 2.092 475 D HA -0.127 4.513 4.640 -0.000 0.000 0.193 475 D C 2.157 178.280 176.300 -0.295 0.000 0.994 475 D CA 1.276 55.148 54.000 -0.213 0.000 0.828 475 D CB -0.340 40.286 40.800 -0.289 0.000 0.963 475 D HN 0.345 nan 8.370 nan 0.000 0.450 476 I N 0.808 121.300 120.570 -0.130 0.000 2.151 476 I HA -0.295 3.875 4.170 -0.000 0.000 0.243 476 I C 2.469 178.631 176.117 0.075 0.000 1.080 476 I CA 1.030 62.305 61.300 -0.040 0.000 1.339 476 I CB -0.199 37.780 38.000 -0.034 0.000 1.039 476 I HN -0.095 nan 8.210 nan 0.000 0.409 477 S N -0.480 115.273 115.700 0.089 0.000 2.356 477 S HA -0.209 4.261 4.470 -0.000 0.000 0.223 477 S C 1.635 176.285 174.600 0.083 0.000 1.032 477 S CA 1.453 59.713 58.200 0.100 0.000 1.005 477 S CB -0.429 62.806 63.200 0.058 0.000 0.867 477 S HN 0.427 nan 8.310 nan 0.000 0.449 478 W N 1.481 122.829 121.300 0.080 0.000 2.379 478 W HA -0.055 4.605 4.660 -0.000 0.000 0.307 478 W C 2.446 179.058 176.519 0.155 0.000 1.200 478 W CA 1.222 58.629 57.345 0.103 0.000 1.297 478 W CB -0.641 28.893 29.460 0.124 0.000 1.140 478 W HN 0.492 nan 8.180 nan 0.000 0.507 479 H N -2.020 117.195 119.070 0.241 0.000 2.293 479 H HA -0.224 4.332 4.556 -0.000 0.000 0.300 479 H C 2.082 177.444 175.328 0.057 0.000 1.082 479 H CA 1.481 57.604 56.048 0.124 0.000 1.308 479 H CB -0.706 29.124 29.762 0.113 0.000 1.375 479 H HN 0.067 nan 8.280 nan 0.000 0.495 480 F N 1.586 121.571 119.950 0.058 0.000 2.102 480 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 480 F C 2.315 177.987 175.800 -0.213 0.000 1.105 480 F CA 1.105 59.038 58.000 -0.111 0.000 1.239 480 F CB -0.573 38.358 39.000 -0.115 0.000 0.991 480 F HN -0.016 nan 8.300 nan 0.000 0.474 481 L N -0.676 120.445 121.223 -0.171 0.000 2.042 481 L HA -0.269 4.071 4.340 -0.000 0.000 0.210 481 L C 2.334 178.995 176.870 -0.349 0.000 1.076 481 L CA 1.887 56.538 54.840 -0.316 0.000 0.749 481 L CB -1.087 40.826 42.059 -0.244 0.000 0.893 481 L HN 0.160 nan 8.230 nan 0.000 0.432 482 T N -0.793 113.613 114.554 -0.245 0.000 2.684 482 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 482 T C 1.754 176.121 174.700 -0.555 0.000 1.036 482 T CA 1.526 63.407 62.100 -0.365 0.000 1.148 482 T CB -0.340 68.378 68.868 -0.250 0.000 0.863 482 T HN 0.261 nan 8.240 nan 0.000 0.436 483 N N 0.928 119.363 118.700 -0.440 0.000 2.036 483 N HA -0.114 4.626 4.740 -0.000 0.000 0.195 483 N C 1.859 177.073 175.510 -0.492 0.000 1.037 483 N CA 1.163 53.968 53.050 -0.407 0.000 0.855 483 N CB -0.697 37.548 38.487 -0.404 0.000 1.033 483 N HN 0.208 nan 8.380 nan 0.000 0.423 484 V N 0.758 120.182 119.914 -0.817 0.000 2.343 484 V HA -0.206 3.914 4.120 -0.000 0.000 0.247 484 V C 2.483 178.437 176.094 -0.234 0.000 1.051 484 V CA 1.794 63.666 62.300 -0.713 0.000 1.036 484 V CB -0.626 30.702 31.823 -0.825 0.000 0.654 484 V HN 0.351 nan 8.190 nan 0.000 0.451 485 Q N -0.267 119.401 119.800 -0.220 0.000 2.084 485 Q HA -0.206 4.134 4.340 -0.000 0.000 0.202 485 Q C 2.053 178.123 176.000 0.115 0.000 0.978 485 Q CA 2.085 57.867 55.803 -0.035 0.000 0.844 485 Q CB -0.414 28.286 28.738 -0.063 0.000 0.898 485 Q HN 0.791 nan 8.270 nan 0.000 0.426 486 H N -1.614 117.439 119.070 -0.027 0.000 2.321 486 H HA -0.078 4.478 4.556 -0.000 0.000 0.300 486 H C 1.860 177.185 175.328 -0.004 0.000 1.087 486 H CA 1.356 57.395 56.048 -0.015 0.000 1.319 486 H CB 0.143 29.888 29.762 -0.027 0.000 1.379 486 H HN 0.286 nan 8.280 nan 0.000 0.501 487 T N 0.498 115.146 114.554 0.156 0.000 2.720 487 T HA -0.247 4.103 4.350 -0.000 0.000 0.268 487 T C 1.711 176.462 174.700 0.084 0.000 1.037 487 T CA 1.530 63.699 62.100 0.115 0.000 1.144 487 T CB -0.561 68.426 68.868 0.199 0.000 0.864 487 T HN 0.366 nan 8.240 nan 0.000 0.444 488 Y N 2.283 122.573 120.300 -0.016 0.000 2.181 488 Y HA -0.155 4.395 4.550 -0.000 0.000 0.288 488 Y C 2.028 177.880 175.900 -0.079 0.000 1.146 488 Y CA 1.262 59.315 58.100 -0.078 0.000 1.164 488 Y CB -0.511 37.887 38.460 -0.104 0.000 0.982 488 Y HN 0.124 nan 8.280 nan 0.000 0.515 489 D N -0.139 120.213 120.400 -0.080 0.000 2.123 489 D HA -0.200 4.440 4.640 -0.000 0.000 0.196 489 D C 2.519 178.700 176.300 -0.197 0.000 0.992 489 D CA 2.287 56.196 54.000 -0.151 0.000 0.833 489 D CB -0.270 40.524 40.800 -0.010 0.000 0.954 489 D HN 0.465 nan 8.370 nan 0.000 0.455 490 R N 0.930 121.350 120.500 -0.133 0.000 2.140 490 R HA 0.091 4.431 4.340 -0.000 0.000 0.213 490 R C 1.957 178.173 176.300 -0.140 0.000 1.059 490 R CA 1.117 57.145 56.100 -0.120 0.000 1.000 490 R CB -0.736 29.517 30.300 -0.078 0.000 0.910 490 R HN 0.298 nan 8.270 nan 0.000 0.455 491 E N -1.270 118.837 120.200 -0.155 0.000 2.490 491 E HA 0.171 4.521 4.350 -0.000 0.000 0.209 491 E C 0.347 176.825 176.600 -0.204 0.000 0.971 491 E CA 0.379 56.695 56.400 -0.140 0.000 0.988 491 E CB 0.993 30.645 29.700 -0.080 0.000 1.029 491 E HN 0.497 nan 8.360 nan 0.000 0.496 492 K N 1.705 121.865 120.400 -0.400 0.000 3.071 492 K HA -0.252 4.068 4.320 -0.000 0.000 0.265 492 K C -0.145 176.276 176.600 -0.298 0.000 1.060 492 K CA 1.979 57.888 56.287 -0.630 0.000 0.767 492 K CB -2.752 29.481 32.500 -0.446 0.000 1.241 492 K HN 0.468 nan 8.250 nan 0.000 0.486 493 K N -1.439 118.925 120.400 -0.060 0.000 2.509 493 K HA 0.876 5.196 4.320 -0.000 0.000 0.266 493 K C -1.000 175.713 176.600 0.189 0.000 0.987 493 K CA -1.239 55.107 56.287 0.099 0.000 0.868 493 K CB 1.698 34.241 32.500 0.072 0.000 1.421 493 K HN 0.157 nan 8.250 nan 0.000 0.444 494 L N 1.060 122.414 121.223 0.218 0.000 2.334 494 L HA 0.622 4.962 4.340 -0.000 0.000 0.273 494 L C -0.365 176.607 176.870 0.171 0.000 1.013 494 L CA -0.717 54.256 54.840 0.223 0.000 0.816 494 L CB 1.947 44.137 42.059 0.219 0.000 1.278 494 L HN 0.651 nan 8.230 nan 0.000 0.431 495 V N -1.500 118.453 119.914 0.065 0.000 3.141 495 V HA 0.511 4.630 4.120 -0.000 0.000 0.312 495 V C 0.813 176.725 176.094 -0.303 0.000 1.157 495 V CA -0.570 61.621 62.300 -0.181 0.000 1.041 495 V CB 1.674 33.248 31.823 -0.415 0.000 1.071 495 V HN 0.879 nan 8.190 nan 0.000 0.441 496 E N 1.446 121.214 120.200 -0.720 0.000 2.153 496 E HA -0.085 4.265 4.350 -0.000 0.000 0.194 496 E C 0.446 176.789 176.600 -0.427 0.000 0.988 496 E CA 1.357 57.192 56.400 -0.942 0.000 0.811 496 E CB 0.005 28.934 29.700 -1.285 0.000 0.746 496 E HN 0.851 nan 8.360 nan 0.000 0.466 497 K N -1.460 118.485 120.400 -0.758 0.000 2.578 497 K HA 0.471 4.791 4.320 -0.000 0.000 0.287 497 K C -1.719 174.358 176.600 -0.872 0.000 1.010 497 K CA -0.949 54.762 56.287 -0.961 0.000 0.889 497 K CB 1.070 32.411 32.500 -1.932 0.000 1.514 497 K HN -0.033 nan 8.250 nan 0.000 0.424 498 Y N -0.355 119.670 120.300 -0.458 0.000 2.524 498 Y HA 0.273 4.823 4.550 -0.000 0.000 0.347 498 Y C -1.009 174.744 175.900 -0.245 0.000 1.005 498 Y CA -0.944 56.996 58.100 -0.267 0.000 1.025 498 Y CB 2.250 40.604 38.460 -0.176 0.000 1.275 498 Y HN 0.676 nan 8.280 nan 0.000 0.460 499 D N 1.759 122.131 120.400 -0.047 0.000 2.316 499 D HA 0.149 4.789 4.640 -0.000 0.000 0.245 499 D C 0.693 176.997 176.300 0.007 0.000 1.171 499 D CA 0.043 54.010 54.000 -0.055 0.000 0.856 499 D CB 1.896 42.660 40.800 -0.060 0.000 1.090 499 D HN 0.501 nan 8.370 nan 0.000 0.476 500 V N 1.689 121.607 119.914 0.006 0.000 3.623 500 V HA 0.015 4.135 4.120 -0.000 0.000 0.271 500 V C 1.722 177.831 176.094 0.025 0.000 1.248 500 V CA 0.384 62.706 62.300 0.038 0.000 1.156 500 V CB -0.163 31.691 31.823 0.051 0.000 0.870 500 V HN 0.341 nan 8.190 nan 0.000 0.453 501 S N 1.376 117.081 115.700 0.009 0.000 2.419 501 S HA -0.018 4.452 4.470 -0.000 0.000 0.233 501 S C 1.093 175.695 174.600 0.002 0.000 1.016 501 S CA 1.558 59.762 58.200 0.006 0.000 0.974 501 S CB -0.281 62.919 63.200 -0.000 0.000 0.786 501 S HN 1.016 nan 8.310 nan 0.000 0.492 502 T N -1.553 113.002 114.554 0.003 0.000 2.792 502 T HA 0.537 4.887 4.350 -0.000 0.000 0.303 502 T C -0.276 174.429 174.700 0.008 0.000 1.310 502 T CA -0.629 61.471 62.100 -0.001 0.000 1.007 502 T CB 1.602 70.474 68.868 0.005 0.000 1.335 502 T HN 0.104 nan 8.240 nan 0.000 0.504 514 L N 2.220 123.413 121.223 -0.049 0.000 2.540 514 L HA 0.174 4.514 4.340 -0.000 0.000 0.276 514 L C 0.223 177.051 176.870 -0.070 0.000 1.212 514 L CA 1.052 55.834 54.840 -0.097 0.000 0.893 514 L CB 0.067 42.032 42.059 -0.157 0.000 1.138 514 L HN 0.226 nan 8.230 nan 0.000 0.491 515 Q N 4.013 123.770 119.800 -0.072 0.000 2.230 515 Q HA 0.331 4.671 4.340 -0.000 0.000 0.253 515 Q C -0.715 175.303 176.000 0.029 0.000 0.919 515 Q CA -0.480 55.342 55.803 0.031 0.000 0.908 515 Q CB 1.710 30.580 28.738 0.220 0.000 1.245 515 Q HN 0.731 nan 8.270 nan 0.000 0.437 516 D N -1.008 119.498 120.400 0.175 0.000 2.374 516 D HA 0.709 5.349 4.640 -0.000 0.000 0.239 516 D C 0.192 176.713 176.300 0.368 0.000 0.991 516 D CA -0.439 53.689 54.000 0.214 0.000 0.960 516 D CB 2.114 42.981 40.800 0.111 0.000 1.284 516 D HN 0.549 nan 8.370 nan 0.000 0.512 517 G N -0.266 108.725 108.800 0.319 0.000 3.118 517 G HA2 0.087 4.046 3.960 -0.000 0.000 0.105 517 G HA3 0.087 4.046 3.960 -0.000 0.000 0.105 517 G C -1.284 173.720 174.900 0.172 0.000 1.918 517 G CA -0.277 44.940 45.100 0.195 0.000 1.038 517 G HN 0.502 nan 8.290 nan 0.000 0.293 518 F N 2.146 122.120 119.950 0.040 0.000 2.557 518 F HA 0.587 5.114 4.527 -0.000 0.000 0.316 518 F C 1.250 177.095 175.800 0.076 0.000 1.141 518 F CA 0.379 58.415 58.000 0.061 0.000 0.922 518 F CB 1.816 40.876 39.000 0.100 0.000 1.194 518 F HN 0.650 nan 8.300 nan 0.000 0.443 519 G N 5.105 113.651 108.800 -0.423 0.000 2.802 519 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.222 519 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.222 519 G C 1.110 176.118 174.900 0.181 0.000 1.248 519 G CA 1.756 46.782 45.100 -0.123 0.000 0.787 519 G HN 0.918 nan 8.290 nan 0.000 0.643 520 W N 1.026 122.392 121.300 0.110 0.000 2.402 520 W HA 0.128 4.787 4.660 -0.000 0.000 0.286 520 W C 2.146 178.753 176.519 0.146 0.000 1.221 520 W CA 1.608 59.031 57.345 0.129 0.000 1.257 520 W CB -1.500 27.961 29.460 0.002 0.000 1.120 520 W HN 0.147 nan 8.180 nan 0.000 0.551 521 T N 2.057 117.050 114.554 0.732 0.000 2.708 521 T HA -0.256 4.094 4.350 -0.000 0.000 0.266 521 T C 1.538 176.392 174.700 0.257 0.000 1.037 521 T CA 2.168 64.555 62.100 0.479 0.000 1.146 521 T CB -0.528 68.668 68.868 0.546 0.000 0.865 521 T HN 0.120 nan 8.240 nan 0.000 0.435 522 N N 1.109 119.931 118.700 0.204 0.000 2.069 522 N HA -0.035 4.704 4.740 -0.000 0.000 0.191 522 N C 2.130 177.696 175.510 0.093 0.000 1.031 522 N CA 1.413 54.485 53.050 0.037 0.000 0.852 522 N CB -0.990 37.396 38.487 -0.169 0.000 1.018 522 N HN 0.477 nan 8.380 nan 0.000 0.423 523 G N 0.491 109.424 108.800 0.223 0.000 2.421 523 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.216 523 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.216 523 G C 1.633 176.506 174.900 -0.045 0.000 1.171 523 G CA 0.834 46.031 45.100 0.162 0.000 0.775 523 G HN 0.204 nan 8.290 nan 0.000 0.543 524 V N 0.968 120.865 119.914 -0.028 0.000 2.407 524 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 524 V C 3.152 179.164 176.094 -0.137 0.000 1.055 524 V CA 2.288 64.483 62.300 -0.174 0.000 1.049 524 V CB -0.865 30.925 31.823 -0.055 0.000 0.662 524 V HN 0.379 nan 8.190 nan 0.000 0.455 525 T N 0.572 115.109 114.554 -0.029 0.000 2.684 525 T HA -0.178 4.172 4.350 -0.000 0.000 0.267 525 T C 1.888 176.520 174.700 -0.112 0.000 1.036 525 T CA 1.684 63.746 62.100 -0.064 0.000 1.148 525 T CB -0.334 68.484 68.868 -0.084 0.000 0.863 525 T HN 0.310 nan 8.240 nan 0.000 0.436 526 L N 0.425 121.587 121.223 -0.102 0.000 2.042 526 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 526 L C 2.788 179.572 176.870 -0.144 0.000 1.076 526 L CA 1.179 55.962 54.840 -0.095 0.000 0.749 526 L CB -0.498 41.544 42.059 -0.027 0.000 0.893 526 L HN 0.119 nan 8.230 nan 0.000 0.432 527 K N -0.251 119.985 120.400 -0.273 0.000 2.057 527 K HA -0.091 4.229 4.320 -0.000 0.000 0.206 527 K C 2.048 178.535 176.600 -0.187 0.000 1.050 527 K CA 1.502 57.552 56.287 -0.395 0.000 0.935 527 K CB -0.330 31.498 32.500 -1.120 0.000 0.715 527 K HN 0.329 nan 8.250 nan 0.000 0.439 528 M N 0.403 119.915 119.600 -0.147 0.000 2.175 528 M HA -0.078 4.402 4.480 -0.000 0.000 0.264 528 M C 2.209 178.460 176.300 -0.081 0.000 1.063 528 M CA 1.107 56.419 55.300 0.019 0.000 1.119 528 M CB -0.232 32.405 32.600 0.061 0.000 1.377 528 M HN 0.019 nan 8.290 nan 0.000 0.415 529 L N 0.077 121.226 121.223 -0.122 0.000 2.042 529 L HA -0.279 4.060 4.340 -0.000 0.000 0.210 529 L C 1.883 178.697 176.870 -0.093 0.000 1.076 529 L CA 1.201 55.955 54.840 -0.144 0.000 0.749 529 L CB -0.719 41.266 42.059 -0.124 0.000 0.893 529 L HN 0.294 nan 8.230 nan 0.000 0.432 530 D N -0.410 119.960 120.400 -0.049 0.000 2.178 530 D HA -0.168 4.472 4.640 -0.000 0.000 0.202 530 D C 2.188 178.501 176.300 0.023 0.000 0.974 530 D CA 0.767 54.764 54.000 -0.005 0.000 0.841 530 D CB -0.025 40.783 40.800 0.013 0.000 0.953 530 D HN 0.192 nan 8.370 nan 0.000 0.478 531 L N 1.006 122.253 121.223 0.040 0.000 2.027 531 L HA -0.075 4.265 4.340 -0.000 0.000 0.206 531 L C 2.247 179.134 176.870 0.029 0.000 1.074 531 L CA 1.201 56.089 54.840 0.080 0.000 0.745 531 L CB -0.299 41.855 42.059 0.159 0.000 0.898 531 L HN 0.066 nan 8.230 nan 0.000 0.433 532 I N -3.231 117.289 120.570 -0.083 0.000 3.059 532 I HA -0.022 4.148 4.170 -0.000 0.000 0.270 532 I C 0.809 176.933 176.117 0.012 0.000 1.238 532 I CA -0.080 61.137 61.300 -0.139 0.000 1.478 532 I CB -0.456 37.100 38.000 -0.740 0.000 1.097 532 I HN 0.075 nan 8.210 nan 0.000 0.455 533 c N 1.401 119.998 118.600 -0.005 0.000 2.454 533 c HA 0.592 5.162 4.570 -0.000 0.000 0.336 533 c C -2.187 171.938 174.090 0.059 0.000 1.189 533 c CA -1.208 55.151 56.329 0.050 0.000 1.877 533 c CB 1.052 43.572 42.510 0.017 0.000 2.348 533 c HN 0.168 nan 8.230 nan 0.000 0.508 534 P HA 0.228 nan 4.420 nan 0.000 0.268 534 P C 0.673 178.003 177.300 0.049 0.000 1.208 534 P CA 0.268 63.405 63.100 0.062 0.000 0.777 534 P CB 0.474 32.210 31.700 0.060 0.000 0.875 535 K N 2.122 122.550 120.400 0.048 0.000 2.211 535 K HA -0.170 4.150 4.320 -0.000 0.000 0.204 535 K C 1.385 178.008 176.600 0.038 0.000 1.047 535 K CA 1.631 57.944 56.287 0.043 0.000 0.935 535 K CB -0.797 31.730 32.500 0.046 0.000 0.728 535 K HN 0.586 nan 8.250 nan 0.000 0.452 536 E N -0.309 119.913 120.200 0.038 0.000 2.489 536 E HA 0.039 4.389 4.350 -0.000 0.000 0.204 536 E C -0.091 176.529 176.600 0.033 0.000 1.006 536 E CA 0.103 56.523 56.400 0.033 0.000 0.936 536 E CB 0.888 30.607 29.700 0.032 0.000 1.002 536 E HN 0.742 nan 8.360 nan 0.000 0.488 537 Q N 2.158 121.980 119.800 0.037 0.000 2.721 537 Q HA 0.250 4.590 4.340 -0.000 0.000 0.257 537 Q C -2.432 173.588 176.000 0.033 0.000 1.070 537 Q CA -1.830 53.995 55.803 0.036 0.000 0.910 537 Q CB 1.236 30.000 28.738 0.044 0.000 1.163 537 Q HN -0.006 nan 8.270 nan 0.000 0.501 538 P HA 0.041 nan 4.420 nan 0.000 0.272 538 P C -0.441 176.865 177.300 0.011 0.000 1.223 538 P CA -0.253 62.856 63.100 0.016 0.000 0.784 538 P CB 0.961 32.669 31.700 0.014 0.000 0.923 539 c N 1.818 120.414 118.600 -0.006 0.000 2.376 539 c HA 0.305 4.875 4.570 -0.000 0.000 0.335 539 c C 1.515 175.587 174.090 -0.029 0.000 1.229 539 c CA -0.240 56.081 56.329 -0.014 0.000 1.867 539 c CB 0.660 43.151 42.510 -0.032 0.000 2.319 539 c HN 0.600 nan 8.230 nan 0.000 0.515 540 D N 0.619 121.006 120.400 -0.022 0.000 2.423 540 D HA 0.086 4.726 4.640 -0.000 0.000 0.208 540 D C 0.035 176.305 176.300 -0.050 0.000 1.068 540 D CA 0.664 54.644 54.000 -0.033 0.000 0.860 540 D CB 0.396 41.188 40.800 -0.012 0.000 0.992 540 D HN 0.570 nan 8.370 nan 0.000 0.504 541 N N 0.263 118.944 118.700 -0.032 0.000 2.321 541 N HA 0.231 4.971 4.740 -0.000 0.000 0.290 541 N C -0.567 174.919 175.510 -0.040 0.000 1.212 541 N CA -0.519 52.513 53.050 -0.030 0.000 0.767 541 N CB 3.041 41.543 38.487 0.025 0.000 1.494 541 N HN -0.276 nan 8.380 nan 0.000 0.479 542 V N 2.476 122.356 119.914 -0.057 0.000 2.585 542 V HA 0.146 4.266 4.120 -0.000 0.000 0.296 542 V C -1.772 174.356 176.094 0.058 0.000 1.035 542 V CA -0.837 61.418 62.300 -0.074 0.000 1.084 542 V CB 0.116 31.872 31.823 -0.111 0.000 0.953 542 V HN 0.541 nan 8.190 nan 0.000 0.483 543 P HA 0.325 nan 4.420 nan 0.000 0.269 543 P C -0.278 177.207 177.300 0.307 0.000 1.209 543 P CA 0.064 63.319 63.100 0.259 0.000 0.776 543 P CB 0.610 32.557 31.700 0.412 0.000 0.876 544 A N 0.000 122.933 122.820 0.188 0.000 2.254 544 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 544 A CA 0.000 52.122 52.037 0.142 0.000 0.836 544 A CB 0.000 19.065 19.000 0.108 0.000 0.831 544 A HN 0.000 nan 8.150 nan 0.000 0.486