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 3kwf_1_A DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP 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 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.654 174.600 0.091 0.000 1.055 39 S CA 0.000 58.254 58.200 0.089 0.000 1.107 39 S CB 0.000 63.233 63.200 0.055 0.000 0.593 40 R N 1.947 122.510 120.500 0.106 0.000 1.300 40 R HA -0.201 4.138 4.340 -0.002 0.000 0.029 40 R C 0.238 176.594 176.300 0.094 0.000 0.959 40 R CA 2.422 58.576 56.100 0.090 0.000 1.961 40 R CB -1.434 28.908 30.300 0.069 0.000 0.177 40 R HN 0.584 nan 8.270 nan 0.000 0.727 41 K N 1.641 122.098 120.400 0.095 0.000 2.436 41 K HA 0.123 4.442 4.320 -0.002 0.000 0.275 41 K C -0.199 176.474 176.600 0.121 0.000 0.999 41 K CA 0.780 57.131 56.287 0.107 0.000 0.980 41 K CB 0.590 33.161 32.500 0.119 0.000 0.919 41 K HN 0.330 nan 8.250 nan 0.000 0.484 42 T N 2.305 116.937 114.554 0.131 0.000 2.944 42 T HA 0.159 4.508 4.350 -0.002 0.000 0.284 42 T C -1.293 173.526 174.700 0.198 0.000 1.010 42 T CA -0.502 61.690 62.100 0.153 0.000 1.025 42 T CB 0.294 69.249 68.868 0.144 0.000 1.079 42 T HN 0.449 nan 8.240 nan 0.000 0.516 43 Y N 2.353 122.715 120.300 0.104 0.000 2.486 43 Y HA 0.336 4.885 4.550 -0.002 0.000 0.348 43 Y C 0.605 176.651 175.900 0.243 0.000 1.000 43 Y CA 0.042 58.229 58.100 0.146 0.000 1.253 43 Y CB 0.143 38.649 38.460 0.076 0.000 1.140 43 Y HN 0.506 nan 8.280 nan 0.000 0.526 44 T N 6.657 121.132 114.554 -0.132 0.000 2.902 44 T HA 0.081 4.430 4.350 -0.002 0.000 0.280 44 T C 1.068 175.698 174.700 -0.116 0.000 0.992 44 T CA -0.650 61.459 62.100 0.015 0.000 1.015 44 T CB 1.324 70.181 68.868 -0.018 0.000 1.044 44 T HN 0.757 nan 8.240 nan 0.000 0.520 45 L N 2.316 123.354 121.223 -0.308 0.000 2.012 45 L HA -0.091 4.248 4.340 -0.002 0.000 0.210 45 L C 2.454 179.212 176.870 -0.185 0.000 1.073 45 L CA 2.089 56.614 54.840 -0.526 0.000 0.748 45 L CB -1.104 40.461 42.059 -0.825 0.000 0.891 45 L HN 0.787 nan 8.230 nan 0.000 0.431 46 T N -0.993 113.467 114.554 -0.157 0.000 2.962 46 T HA -0.121 4.228 4.350 -0.002 0.000 0.270 46 T C 1.431 176.062 174.700 -0.114 0.000 1.088 46 T CA 1.171 63.204 62.100 -0.110 0.000 1.127 46 T CB -0.377 68.444 68.868 -0.078 0.000 0.883 46 T HN 0.385 nan 8.240 nan 0.000 0.493 47 D N 0.297 120.597 120.400 -0.167 0.000 2.117 47 D HA -0.058 4.581 4.640 -0.002 0.000 0.198 47 D C 1.720 177.965 176.300 -0.090 0.000 0.982 47 D CA 0.889 54.766 54.000 -0.205 0.000 0.828 47 D CB -0.328 40.206 40.800 -0.442 0.000 0.967 47 D HN 0.396 nan 8.370 nan 0.000 0.464 48 Y N 1.425 121.607 120.300 -0.196 0.000 2.089 48 Y HA -0.168 4.381 4.550 -0.002 0.000 0.282 48 Y C 1.991 177.911 175.900 0.033 0.000 1.139 48 Y CA 1.057 59.191 58.100 0.057 0.000 1.123 48 Y CB -0.555 37.988 38.460 0.139 0.000 0.980 48 Y HN -0.150 nan 8.280 nan 0.000 0.493 49 L N 0.618 121.694 121.223 -0.246 0.000 2.131 49 L HA -0.146 4.193 4.340 -0.002 0.000 0.210 49 L C 1.826 178.599 176.870 -0.162 0.000 1.092 49 L CA 1.683 56.345 54.840 -0.297 0.000 0.759 49 L CB -0.922 41.028 42.059 -0.181 0.000 0.903 49 L HN 0.201 nan 8.230 nan 0.000 0.435 50 K N -0.916 119.416 120.400 -0.112 0.000 2.358 50 K HA 0.131 4.450 4.320 -0.002 0.000 0.197 50 K C 0.253 176.813 176.600 -0.066 0.000 1.025 50 K CA -0.253 55.986 56.287 -0.080 0.000 1.104 50 K CB -0.112 32.344 32.500 -0.074 0.000 0.855 50 K HN 0.230 nan 8.250 nan 0.000 0.531 51 N N 1.943 120.616 118.700 -0.045 0.000 2.714 51 N HA -0.160 4.579 4.740 -0.002 0.000 0.253 51 N C 0.168 175.665 175.510 -0.021 0.000 1.024 51 N CA 0.724 53.782 53.050 0.012 0.000 0.726 51 N CB -0.582 37.905 38.487 0.000 0.000 0.908 51 N HN 0.153 nan 8.380 nan 0.000 0.542 52 T N -0.637 113.868 114.554 -0.082 0.000 2.720 52 T HA -0.158 4.191 4.350 -0.002 0.000 0.268 52 T C 0.416 174.871 174.700 -0.408 0.000 1.037 52 T CA 1.387 63.307 62.100 -0.301 0.000 1.144 52 T CB -0.097 68.493 68.868 -0.463 0.000 0.864 52 T HN 0.367 nan 8.240 nan 0.000 0.444 53 Y N 1.877 122.256 120.300 0.131 0.000 2.587 53 Y HA 0.437 4.986 4.550 -0.002 0.000 0.328 53 Y C 0.352 176.349 175.900 0.162 0.000 0.980 53 Y CA -1.050 57.150 58.100 0.166 0.000 1.272 53 Y CB 0.299 38.911 38.460 0.253 0.000 1.094 53 Y HN -0.129 nan 8.280 nan 0.000 0.503 54 R N 3.070 123.692 120.500 0.203 0.000 2.308 54 R HA 0.413 4.752 4.340 -0.002 0.000 0.305 54 R C -0.726 175.680 176.300 0.177 0.000 1.053 54 R CA -0.679 55.516 56.100 0.159 0.000 0.957 54 R CB 1.015 31.367 30.300 0.088 0.000 1.022 54 R HN 0.579 nan 8.270 nan 0.000 0.461 55 L N 3.784 125.115 121.223 0.180 0.000 2.367 55 L HA 0.162 4.501 4.340 -0.002 0.000 0.275 55 L C 0.533 177.487 176.870 0.140 0.000 1.129 55 L CA 0.108 55.054 54.840 0.176 0.000 0.839 55 L CB 0.452 42.631 42.059 0.201 0.000 1.133 55 L HN 0.361 nan 8.230 nan 0.000 0.453 56 K N 4.558 125.041 120.400 0.138 0.000 2.144 56 K HA 0.610 4.929 4.320 -0.002 0.000 0.270 56 K C -0.663 176.013 176.600 0.127 0.000 1.005 56 K CA -0.518 55.836 56.287 0.111 0.000 0.932 56 K CB 1.346 33.907 32.500 0.102 0.000 1.021 56 K HN 0.410 nan 8.250 nan 0.000 0.462 57 L N 0.933 122.155 121.223 -0.001 0.000 2.235 57 L HA 0.482 4.821 4.340 -0.002 0.000 0.260 57 L C -0.955 175.677 176.870 -0.397 0.000 1.025 57 L CA -1.117 53.590 54.840 -0.221 0.000 0.836 57 L CB 0.937 42.948 42.059 -0.081 0.000 1.395 57 L HN 0.542 nan 8.230 nan 0.000 0.443 58 Y N 0.241 120.019 120.300 -0.871 0.000 2.520 58 Y HA 0.315 4.864 4.550 -0.002 0.000 0.339 58 Y C -0.735 174.983 175.900 -0.302 0.000 1.113 58 Y CA -0.521 57.281 58.100 -0.497 0.000 1.255 58 Y CB 1.178 39.204 38.460 -0.722 0.000 1.099 58 Y HN 0.420 nan 8.280 nan 0.000 0.628 59 S N 5.935 121.562 115.700 -0.122 0.000 2.416 59 S HA 0.514 4.983 4.470 -0.002 0.000 0.287 59 S C -0.401 174.159 174.600 -0.068 0.000 1.139 59 S CA -0.548 57.606 58.200 -0.076 0.000 1.058 59 S CB 0.056 63.213 63.200 -0.071 0.000 0.967 59 S HN 0.564 nan 8.310 nan 0.000 0.495 60 L N 1.746 122.888 121.223 -0.135 0.000 2.319 60 L HA 0.720 5.059 4.340 -0.002 0.000 0.267 60 L C -0.686 176.074 176.870 -0.183 0.000 1.011 60 L CA -0.950 53.756 54.840 -0.224 0.000 0.818 60 L CB 1.381 42.975 42.059 -0.775 0.000 1.316 60 L HN 0.463 nan 8.230 nan 0.000 0.432 61 R N 2.008 122.462 120.500 -0.077 0.000 2.310 61 R HA 0.331 4.670 4.340 -0.002 0.000 0.316 61 R C -1.395 174.950 176.300 0.075 0.000 1.004 61 R CA -0.402 55.711 56.100 0.022 0.000 0.900 61 R CB 1.023 31.373 30.300 0.083 0.000 1.152 61 R HN 0.650 nan 8.270 nan 0.000 0.513 62 W N 4.201 125.598 121.300 0.162 0.000 2.347 62 W HA -0.000 4.659 4.660 -0.001 0.000 0.333 62 W C 1.550 178.153 176.519 0.139 0.000 1.383 62 W CA -0.263 57.194 57.345 0.186 0.000 1.283 62 W CB 0.375 29.943 29.460 0.180 0.000 1.253 62 W HN 0.655 nan 8.180 nan 0.000 0.563 63 I N 0.727 121.527 120.570 0.383 0.000 4.154 63 I HA 0.344 4.513 4.170 -0.002 0.000 0.334 63 I C 0.552 176.781 176.117 0.186 0.000 1.371 63 I CA -0.149 61.275 61.300 0.206 0.000 1.110 63 I CB -0.143 37.901 38.000 0.074 0.000 1.085 63 I HN 0.243 nan 8.210 nan 0.000 0.398 64 S N 0.132 115.984 115.700 0.255 0.000 2.714 64 S HA 0.141 4.610 4.470 -0.002 0.000 0.280 64 S C 0.166 174.901 174.600 0.225 0.000 1.200 64 S CA -0.015 58.305 58.200 0.200 0.000 0.900 64 S CB 0.505 63.784 63.200 0.132 0.000 1.235 64 S HN 0.297 nan 8.310 nan 0.000 0.512 65 D N 0.721 121.269 120.400 0.246 0.000 2.218 65 D HA -0.182 4.457 4.640 -0.002 0.000 0.204 65 D C 1.129 177.654 176.300 0.376 0.000 0.976 65 D CA 2.031 56.173 54.000 0.237 0.000 0.853 65 D CB -0.587 40.363 40.800 0.249 0.000 0.939 65 D HN 0.886 nan 8.370 nan 0.000 0.481 66 H N -1.685 117.568 119.070 0.304 0.000 3.650 66 H HA 0.430 4.985 4.556 -0.002 0.000 0.260 66 H C -0.393 175.132 175.328 0.328 0.000 1.194 66 H CA -0.443 55.818 56.048 0.354 0.000 1.135 66 H CB 0.295 30.247 29.762 0.317 0.000 1.612 66 H HN 0.027 nan 8.280 nan 0.000 0.703 67 E N 0.985 121.233 120.200 0.080 0.000 2.343 67 E HA 0.410 4.759 4.350 -0.002 0.000 0.270 67 E C -1.552 175.236 176.600 0.314 0.000 0.895 67 E CA -1.212 55.220 56.400 0.053 0.000 0.767 67 E CB 3.008 32.595 29.700 -0.187 0.000 1.248 67 E HN 0.291 nan 8.360 nan 0.000 0.440 68 Y N -0.549 119.772 120.300 0.034 0.000 2.581 68 Y HA 0.626 5.175 4.550 -0.002 0.000 0.345 68 Y C -1.519 174.357 175.900 -0.041 0.000 1.036 68 Y CA -1.270 56.756 58.100 -0.124 0.000 1.042 68 Y CB 0.834 38.893 38.460 -0.669 0.000 1.289 68 Y HN 0.314 nan 8.280 nan 0.000 0.471 69 L N 3.041 124.375 121.223 0.184 0.000 2.343 69 L HA 0.502 4.841 4.340 -0.002 0.000 0.275 69 L C -1.359 175.692 176.870 0.303 0.000 1.056 69 L CA -1.029 53.901 54.840 0.149 0.000 0.804 69 L CB 1.639 43.700 42.059 0.003 0.000 1.203 69 L HN 0.822 nan 8.230 nan 0.000 0.440 70 Y N 2.725 123.086 120.300 0.102 0.000 2.358 70 Y HA 0.292 4.841 4.550 -0.002 0.000 0.324 70 Y C -0.941 174.953 175.900 -0.010 0.000 1.123 70 Y CA -1.315 56.769 58.100 -0.027 0.000 1.067 70 Y CB 1.302 39.666 38.460 -0.161 0.000 1.230 70 Y HN 0.527 nan 8.280 nan 0.000 0.429 71 K N 4.826 124.956 120.400 -0.450 0.000 2.172 71 K HA 0.548 4.867 4.320 -0.002 0.000 0.276 71 K C -1.159 175.076 176.600 -0.609 0.000 1.013 71 K CA -0.827 55.232 56.287 -0.379 0.000 0.913 71 K CB 2.072 34.460 32.500 -0.187 0.000 1.055 71 K HN 0.695 nan 8.250 nan 0.000 0.461 72 Q N 2.743 122.356 119.800 -0.312 0.000 2.274 72 Q HA 0.157 4.496 4.340 -0.002 0.000 0.268 72 Q C -1.040 174.902 176.000 -0.097 0.000 1.015 72 Q CA -0.198 55.482 55.803 -0.205 0.000 0.775 72 Q CB 1.334 30.072 28.738 -0.000 0.000 1.256 72 Q HN 0.924 nan 8.270 nan 0.000 0.442 73 E N 2.058 122.205 120.200 -0.087 0.000 3.213 73 E HA -0.347 4.002 4.350 -0.002 0.000 0.374 73 E C -0.388 176.168 176.600 -0.074 0.000 1.500 73 E CA 1.999 58.362 56.400 -0.061 0.000 1.497 73 E CB -0.910 28.770 29.700 -0.034 0.000 1.692 73 E HN 0.748 nan 8.360 nan 0.000 0.494 74 N N 0.962 119.627 118.700 -0.058 0.000 2.203 74 N HA 0.176 4.915 4.740 -0.002 0.000 0.207 74 N C -1.200 174.267 175.510 -0.071 0.000 1.130 74 N CA -0.006 53.009 53.050 -0.060 0.000 0.861 74 N CB 0.358 38.821 38.487 -0.039 0.000 1.005 74 N HN 0.164 nan 8.380 nan 0.000 0.507 75 N N 0.778 119.437 118.700 -0.069 0.000 2.472 75 N HA 0.216 4.955 4.740 -0.002 0.000 0.277 75 N C -0.429 175.036 175.510 -0.076 0.000 1.081 75 N CA -0.114 52.899 53.050 -0.061 0.000 0.973 75 N CB 1.665 40.134 38.487 -0.031 0.000 1.105 75 N HN 0.093 nan 8.380 nan 0.000 0.470 76 I N 3.242 123.765 120.570 -0.079 0.000 2.337 76 I HA 0.186 4.355 4.170 -0.002 0.000 0.291 76 I C 0.286 176.444 176.117 0.068 0.000 1.046 76 I CA -0.304 60.954 61.300 -0.069 0.000 1.324 76 I CB 0.429 38.326 38.000 -0.171 0.000 1.409 76 I HN 0.193 nan 8.210 nan 0.000 0.494 77 L N 6.795 128.094 121.223 0.126 0.000 2.344 77 L HA 0.592 4.931 4.340 -0.002 0.000 0.272 77 L C -0.209 176.779 176.870 0.197 0.000 1.035 77 L CA -0.927 54.024 54.840 0.184 0.000 0.807 77 L CB 1.943 44.200 42.059 0.330 0.000 1.237 77 L HN 0.326 nan 8.230 nan 0.000 0.442 78 V N 2.428 122.387 119.914 0.076 0.000 2.417 78 V HA 0.494 4.612 4.120 -0.002 0.000 0.291 78 V C -0.999 174.987 176.094 -0.180 0.000 1.024 78 V CA -0.215 62.089 62.300 0.007 0.000 0.861 78 V CB 1.342 33.195 31.823 0.051 0.000 0.985 78 V HN 0.433 nan 8.190 nan 0.000 0.436 79 F N 5.329 125.011 119.950 -0.446 0.000 2.469 79 F HA 0.487 5.013 4.527 -0.002 0.000 0.332 79 F C 0.489 176.003 175.800 -0.477 0.000 1.103 79 F CA -0.559 57.084 58.000 -0.596 0.000 0.979 79 F CB 1.625 39.891 39.000 -1.224 0.000 1.137 79 F HN 0.477 nan 8.300 nan 0.000 0.463 80 N N 2.187 120.809 118.700 -0.131 0.000 2.414 80 N HA 0.268 5.007 4.740 -0.002 0.000 0.256 80 N C 0.477 175.973 175.510 -0.023 0.000 1.029 80 N CA 0.158 53.197 53.050 -0.018 0.000 0.948 80 N CB 1.756 40.300 38.487 0.095 0.000 1.102 80 N HN 0.811 nan 8.380 nan 0.000 0.496 81 A N 3.775 126.554 122.820 -0.069 0.000 1.873 81 A HA -0.156 4.163 4.320 -0.002 0.000 0.215 81 A C 1.873 179.195 177.584 -0.437 0.000 1.186 81 A CA 1.376 53.270 52.037 -0.239 0.000 0.616 81 A CB -0.438 18.325 19.000 -0.396 0.000 0.823 81 A HN 0.769 nan 8.150 nan 0.000 0.442 82 E N -1.209 118.710 120.200 -0.468 0.000 2.110 82 E HA -0.161 4.188 4.350 -0.002 0.000 0.193 82 E C 1.349 177.668 176.600 -0.468 0.000 0.988 82 E CA 1.701 57.833 56.400 -0.447 0.000 0.804 82 E CB -0.316 29.088 29.700 -0.493 0.000 0.745 82 E HN 0.718 nan 8.360 nan 0.000 0.458 83 Y N -2.182 118.112 120.300 -0.009 0.000 2.535 83 Y HA 0.363 4.912 4.550 -0.002 0.000 0.266 83 Y C 1.795 177.688 175.900 -0.012 0.000 1.088 83 Y CA 0.466 58.565 58.100 -0.001 0.000 1.285 83 Y CB 0.825 39.288 38.460 0.006 0.000 1.166 83 Y HN 0.164 nan 8.280 nan 0.000 0.525 84 G N 0.526 109.394 108.800 0.112 0.000 2.213 84 G HA2 -0.305 3.654 3.960 -0.002 0.000 0.236 84 G HA3 -0.305 3.654 3.960 -0.002 0.000 0.236 84 G C 0.114 175.039 174.900 0.041 0.000 0.991 84 G CA 0.098 45.253 45.100 0.091 0.000 0.629 84 G HN 0.428 nan 8.290 nan 0.000 0.517 85 N N 0.998 119.704 118.700 0.009 0.000 2.453 85 N HA 0.503 5.242 4.740 -0.002 0.000 0.253 85 N C -0.062 175.285 175.510 -0.272 0.000 1.252 85 N CA 0.886 53.877 53.050 -0.100 0.000 0.917 85 N CB 1.324 39.773 38.487 -0.064 0.000 1.117 85 N HN 1.151 nan 8.380 nan 0.000 0.442 86 S N -0.967 114.494 115.700 -0.397 0.000 2.537 86 S HA 0.680 5.149 4.470 -0.002 0.000 0.270 86 S C -1.134 173.238 174.600 -0.379 0.000 1.142 86 S CA -0.921 56.895 58.200 -0.641 0.000 0.870 86 S CB 1.191 63.442 63.200 -1.581 0.000 1.112 86 S HN 0.678 nan 8.310 nan 0.000 0.466 87 S N 0.602 116.133 115.700 -0.282 0.000 2.671 87 S HA 0.704 5.173 4.470 -0.002 0.000 0.299 87 S C -0.526 174.019 174.600 -0.092 0.000 1.116 87 S CA -0.860 57.248 58.200 -0.153 0.000 0.912 87 S CB 1.570 64.713 63.200 -0.095 0.000 1.130 87 S HN 1.403 nan 8.310 nan 0.000 0.501 88 V N 2.653 122.534 119.914 -0.053 0.000 2.470 88 V HA 0.301 4.420 4.120 -0.002 0.000 0.276 88 V C 0.412 176.520 176.094 0.024 0.000 1.040 88 V CA -0.072 62.225 62.300 -0.006 0.000 1.008 88 V CB -0.063 31.744 31.823 -0.028 0.000 0.990 88 V HN 0.873 nan 8.190 nan 0.000 0.477 89 F N 6.297 126.205 119.950 -0.070 0.000 2.118 89 F HA 0.312 4.838 4.527 -0.002 0.000 0.293 89 F C 0.664 176.425 175.800 -0.065 0.000 1.102 89 F CA 1.119 59.082 58.000 -0.061 0.000 1.247 89 F CB 0.440 39.412 39.000 -0.047 0.000 1.017 89 F HN 0.379 nan 8.300 nan 0.000 0.475 90 L N 1.680 122.953 121.223 0.084 0.000 2.406 90 L HA 0.324 4.663 4.340 -0.002 0.000 0.272 90 L C -0.993 175.840 176.870 -0.061 0.000 0.980 90 L CA -0.439 54.381 54.840 -0.032 0.000 0.831 90 L CB 1.644 43.745 42.059 0.068 0.000 1.253 90 L HN 0.041 nan 8.230 nan 0.000 0.406 91 E N 1.945 122.078 120.200 -0.112 0.000 2.373 91 E HA 0.008 4.357 4.350 -0.002 0.000 0.267 91 E C 0.952 177.482 176.600 -0.116 0.000 1.032 91 E CA -0.148 56.187 56.400 -0.107 0.000 0.889 91 E CB 0.972 30.601 29.700 -0.119 0.000 0.984 91 E HN 0.606 nan 8.360 nan 0.000 0.425 92 N N 1.427 120.077 118.700 -0.082 0.000 2.272 92 N HA -0.237 4.502 4.740 -0.002 0.000 0.185 92 N C 1.377 176.842 175.510 -0.075 0.000 1.014 92 N CA 1.693 54.704 53.050 -0.064 0.000 0.870 92 N CB -0.402 38.057 38.487 -0.047 0.000 0.975 92 N HN 0.366 nan 8.380 nan 0.000 0.433 93 S N -0.827 114.810 115.700 -0.104 0.000 2.428 93 S HA -0.081 4.388 4.470 -0.002 0.000 0.230 93 S C 1.696 176.182 174.600 -0.190 0.000 1.014 93 S CA 1.072 59.205 58.200 -0.112 0.000 0.957 93 S CB -1.171 61.968 63.200 -0.101 0.000 0.784 93 S HN 0.322 nan 8.310 nan 0.000 0.499 94 T N 1.717 116.073 114.554 -0.330 0.000 2.649 94 T HA -0.142 4.207 4.350 -0.002 0.000 0.268 94 T C 0.288 174.501 174.700 -0.811 0.000 1.036 94 T CA 1.619 63.315 62.100 -0.673 0.000 1.157 94 T CB -0.606 67.629 68.868 -1.055 0.000 0.861 94 T HN 0.584 nan 8.240 nan 0.000 0.445 95 F N 1.216 121.070 119.950 -0.160 0.000 2.848 95 F HA 0.376 4.902 4.527 -0.002 0.000 0.321 95 F C 0.849 176.630 175.800 -0.032 0.000 1.281 95 F CA -1.248 56.680 58.000 -0.121 0.000 1.209 95 F CB 0.150 38.993 39.000 -0.262 0.000 1.152 95 F HN -0.055 nan 8.300 nan 0.000 0.521 96 D N 0.073 120.506 120.400 0.056 0.000 2.137 96 D HA -0.086 4.553 4.640 -0.002 0.000 0.202 96 D C 1.502 177.843 176.300 0.069 0.000 0.970 96 D CA 1.152 55.179 54.000 0.046 0.000 0.837 96 D CB 0.211 41.009 40.800 -0.003 0.000 0.981 96 D HN 0.283 nan 8.370 nan 0.000 0.475 97 E N -0.165 120.083 120.200 0.079 0.000 2.349 97 E HA 0.023 4.372 4.350 -0.002 0.000 0.201 97 E C 0.712 177.382 176.600 0.115 0.000 1.087 97 E CA -0.352 56.086 56.400 0.063 0.000 1.128 97 E CB -0.105 29.616 29.700 0.035 0.000 1.188 97 E HN 0.203 nan 8.360 nan 0.000 0.445 98 F N 0.565 120.519 119.950 0.007 0.000 2.187 98 F HA 0.095 4.621 4.527 -0.002 0.000 0.295 98 F C 1.722 177.444 175.800 -0.130 0.000 1.091 98 F CA 1.742 59.736 58.000 -0.010 0.000 1.308 98 F CB 0.344 39.346 39.000 0.004 0.000 1.030 98 F HN 0.240 nan 8.300 nan 0.000 0.487 99 G N -0.435 108.239 108.800 -0.211 0.000 2.176 99 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.232 99 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.232 99 G C -0.292 174.170 174.900 -0.732 0.000 0.986 99 G CA 0.166 44.971 45.100 -0.492 0.000 0.643 99 G HN 0.622 nan 8.290 nan 0.000 0.522 100 H N -0.081 118.937 119.070 -0.088 0.000 2.894 100 H HA 0.611 5.166 4.556 -0.002 0.000 0.367 100 H C 0.104 175.507 175.328 0.126 0.000 1.144 100 H CA -0.169 55.878 56.048 -0.001 0.000 1.180 100 H CB 1.607 31.269 29.762 -0.167 0.000 1.758 100 H HN 0.373 nan 8.280 nan 0.000 0.541 101 S N 1.999 117.820 115.700 0.202 0.000 2.510 101 S HA 0.272 4.741 4.470 -0.002 0.000 0.279 101 S C 0.151 174.833 174.600 0.137 0.000 1.284 101 S CA -0.636 57.642 58.200 0.132 0.000 1.059 101 S CB 0.056 63.307 63.200 0.084 0.000 0.901 101 S HN 0.366 nan 8.310 nan 0.000 0.491 102 I N 3.411 124.008 120.570 0.045 0.000 2.529 102 I HA 0.172 4.341 4.170 -0.002 0.000 0.284 102 I C 1.728 177.845 176.117 -0.000 0.000 1.082 102 I CA 0.087 61.382 61.300 -0.009 0.000 1.406 102 I CB 0.498 38.405 38.000 -0.155 0.000 1.405 102 I HN 0.865 nan 8.210 nan 0.000 0.548 103 N N 2.721 121.416 118.700 -0.008 0.000 2.336 103 N HA -0.041 4.698 4.740 -0.002 0.000 0.177 103 N C -0.058 175.399 175.510 -0.088 0.000 1.018 103 N CA 0.700 53.700 53.050 -0.083 0.000 0.878 103 N CB 0.454 38.857 38.487 -0.140 0.000 0.997 103 N HN 0.681 nan 8.380 nan 0.000 0.433 104 D N -1.760 118.618 120.400 -0.036 0.000 2.710 104 D HA 0.176 4.815 4.640 -0.002 0.000 0.276 104 D C -1.681 174.666 176.300 0.079 0.000 1.267 104 D CA -0.481 53.512 54.000 -0.011 0.000 0.772 104 D CB 0.812 41.563 40.800 -0.081 0.000 1.299 104 D HN 0.119 nan 8.370 nan 0.000 0.421 105 Y N -1.092 119.219 120.300 0.018 0.000 2.545 105 Y HA 0.800 5.349 4.550 -0.002 0.000 0.348 105 Y C -1.016 174.962 175.900 0.131 0.000 1.002 105 Y CA -0.938 57.198 58.100 0.059 0.000 1.039 105 Y CB 2.019 40.502 38.460 0.039 0.000 1.271 105 Y HN 0.130 nan 8.280 nan 0.000 0.467 106 S N 3.646 119.533 115.700 0.312 0.000 2.736 106 S HA 0.581 5.050 4.470 -0.002 0.000 0.285 106 S C -1.281 173.656 174.600 0.563 0.000 1.163 106 S CA -0.714 57.696 58.200 0.350 0.000 1.025 106 S CB 0.262 63.662 63.200 0.334 0.000 1.030 106 S HN 0.599 nan 8.310 nan 0.000 0.486 107 I N 4.473 125.263 120.570 0.367 0.000 2.395 107 I HA 0.253 4.422 4.170 -0.002 0.000 0.289 107 I C 1.103 177.062 176.117 -0.263 0.000 1.023 107 I CA -0.413 60.979 61.300 0.154 0.000 1.350 107 I CB 1.146 39.212 38.000 0.110 0.000 1.409 107 I HN 0.746 nan 8.210 nan 0.000 0.507 108 S N 6.435 121.641 115.700 -0.824 0.000 2.568 108 S HA 0.141 4.610 4.470 -0.002 0.000 0.282 108 S C -1.813 172.513 174.600 -0.457 0.000 1.338 108 S CA -0.850 56.570 58.200 -1.300 0.000 1.045 108 S CB 0.490 62.816 63.200 -1.457 0.000 0.873 108 S HN 0.450 nan 8.310 nan 0.000 0.516 109 P HA -0.083 nan 4.420 nan 0.000 0.226 109 P C 0.521 177.786 177.300 -0.060 0.000 1.146 109 P CA 1.218 64.253 63.100 -0.107 0.000 0.773 109 P CB -0.130 31.529 31.700 -0.068 0.000 0.772 110 D N -2.743 117.617 120.400 -0.066 0.000 2.349 110 D HA 0.123 4.762 4.640 -0.002 0.000 0.214 110 D C 1.474 177.773 176.300 -0.001 0.000 1.063 110 D CA 0.451 54.454 54.000 0.003 0.000 0.847 110 D CB -0.857 39.991 40.800 0.080 0.000 0.933 110 D HN 0.135 nan 8.370 nan 0.000 0.513 111 G N 0.517 109.302 108.800 -0.026 0.000 2.184 111 G HA2 -0.411 3.548 3.960 -0.002 0.000 0.264 111 G HA3 -0.411 3.548 3.960 -0.002 0.000 0.264 111 G C 1.041 175.925 174.900 -0.027 0.000 0.975 111 G CA 0.587 45.719 45.100 0.052 0.000 0.642 111 G HN 0.452 nan 8.290 nan 0.000 0.536 112 Q N -1.418 118.283 119.800 -0.166 0.000 2.245 112 Q HA 0.337 4.676 4.340 -0.002 0.000 0.201 112 Q C 0.266 175.791 176.000 -0.791 0.000 0.955 112 Q CA 0.764 56.271 55.803 -0.493 0.000 0.870 112 Q CB 0.264 28.631 28.738 -0.618 0.000 0.945 112 Q HN 0.587 nan 8.270 nan 0.000 0.461 113 F N -0.762 119.114 119.950 -0.124 0.000 2.599 113 F HA 0.508 5.034 4.527 -0.002 0.000 0.311 113 F C -0.670 175.190 175.800 0.101 0.000 1.076 113 F CA -1.163 56.833 58.000 -0.007 0.000 0.937 113 F CB 1.762 40.777 39.000 0.025 0.000 1.282 113 F HN -0.213 nan 8.300 nan 0.000 0.460 114 I N 2.827 123.715 120.570 0.530 0.000 2.533 114 I HA 0.461 4.630 4.170 -0.002 0.000 0.290 114 I C -1.603 174.851 176.117 0.561 0.000 1.056 114 I CA -0.689 60.928 61.300 0.529 0.000 1.057 114 I CB 1.468 39.731 38.000 0.438 0.000 1.240 114 I HN 0.486 nan 8.210 nan 0.000 0.423 115 L N 7.816 129.398 121.223 0.598 0.000 2.290 115 L HA 0.384 4.723 4.340 -0.002 0.000 0.284 115 L C -0.845 176.170 176.870 0.243 0.000 1.078 115 L CA -0.479 54.577 54.840 0.360 0.000 0.815 115 L CB 1.019 43.214 42.059 0.227 0.000 1.162 115 L HN 0.512 nan 8.230 nan 0.000 0.435 116 L N 4.680 125.977 121.223 0.124 0.000 2.298 116 L HA 0.411 4.750 4.340 -0.002 0.000 0.284 116 L C -0.007 176.877 176.870 0.024 0.000 1.013 116 L CA -0.307 54.505 54.840 -0.047 0.000 0.824 116 L CB 1.520 43.323 42.059 -0.426 0.000 1.221 116 L HN 0.575 nan 8.230 nan 0.000 0.418 117 E N 4.153 124.334 120.200 -0.031 0.000 2.174 117 E HA 0.408 4.757 4.350 -0.002 0.000 0.282 117 E C -1.486 175.060 176.600 -0.089 0.000 0.992 117 E CA -0.470 55.764 56.400 -0.277 0.000 0.803 117 E CB 0.984 30.592 29.700 -0.153 0.000 1.090 117 E HN 0.464 nan 8.360 nan 0.000 0.396 118 Y N 1.796 121.914 120.300 -0.304 0.000 2.818 118 Y HA 0.430 4.979 4.550 -0.002 0.000 0.322 118 Y C -0.038 175.785 175.900 -0.129 0.000 1.323 118 Y CA -1.521 56.498 58.100 -0.136 0.000 1.090 118 Y CB 0.295 38.734 38.460 -0.034 0.000 1.328 118 Y HN 0.482 nan 8.280 nan 0.000 0.482 119 N N -0.585 118.128 118.700 0.021 0.000 2.708 119 N HA -0.309 4.430 4.740 -0.002 0.000 0.249 119 N C -0.987 174.501 175.510 -0.037 0.000 1.097 119 N CA 1.069 54.089 53.050 -0.051 0.000 0.710 119 N CB -1.702 36.656 38.487 -0.215 0.000 1.032 119 N HN 0.822 nan 8.380 nan 0.000 0.551 120 Y N 0.283 120.526 120.300 -0.095 0.000 2.650 120 Y HA 0.261 4.810 4.550 -0.002 0.000 0.331 120 Y C -0.015 175.864 175.900 -0.035 0.000 1.165 120 Y CA -0.048 58.003 58.100 -0.081 0.000 1.473 120 Y CB 0.612 38.977 38.460 -0.159 0.000 1.224 120 Y HN -0.018 nan 8.280 nan 0.000 0.533 121 V N 7.903 127.491 119.914 -0.544 0.000 2.483 121 V HA 0.224 4.343 4.120 -0.002 0.000 0.297 121 V C -0.343 175.362 176.094 -0.648 0.000 1.027 121 V CA -1.473 60.543 62.300 -0.473 0.000 0.855 121 V CB 1.452 33.144 31.823 -0.218 0.000 0.995 121 V HN 0.716 nan 8.190 nan 0.000 0.424 122 K N 3.775 123.824 120.400 -0.584 0.000 2.379 122 K HA 0.218 4.537 4.320 -0.002 0.000 0.284 122 K C 0.558 176.999 176.600 -0.264 0.000 1.044 122 K CA 0.069 56.152 56.287 -0.340 0.000 0.974 122 K CB 1.123 33.591 32.500 -0.054 0.000 0.962 122 K HN 0.830 nan 8.250 nan 0.000 0.474 123 Q N 3.740 123.354 119.800 -0.310 0.000 1.952 123 Q HA 0.109 4.448 4.340 -0.002 0.000 0.417 123 Q C -0.093 175.669 176.000 -0.397 0.000 0.963 123 Q CA 0.153 55.591 55.803 -0.609 0.000 0.833 123 Q CB 0.005 28.223 28.738 -0.867 0.000 2.051 123 Q HN 0.715 nan 8.270 nan 0.000 0.419 124 W N -0.430 120.866 121.300 -0.008 0.000 1.941 124 W HA 0.409 5.068 4.660 -0.002 0.000 0.629 124 W C 1.818 178.318 176.519 -0.032 0.000 1.517 124 W CA -0.883 56.480 57.345 0.029 0.000 1.502 124 W CB -0.175 29.280 29.460 -0.008 0.000 3.266 124 W HN 0.241 nan 8.180 nan 0.000 0.765 125 R N -0.520 120.068 120.500 0.147 0.000 2.083 125 R HA -0.171 4.168 4.340 -0.002 0.000 0.237 125 R C 1.758 177.904 176.300 -0.257 0.000 1.137 125 R CA 1.957 57.967 56.100 -0.150 0.000 0.951 125 R CB -0.438 29.622 30.300 -0.399 0.000 0.851 125 R HN 0.508 nan 8.270 nan 0.000 0.434 126 H N -1.359 117.787 119.070 0.128 0.000 2.695 126 H HA 0.158 4.713 4.556 -0.002 0.000 0.267 126 H C 0.682 176.117 175.328 0.178 0.000 0.973 126 H CA 0.475 56.621 56.048 0.163 0.000 1.223 126 H CB 0.229 30.060 29.762 0.115 0.000 1.442 126 H HN 0.150 nan 8.280 nan 0.000 0.478 127 S N 1.288 117.011 115.700 0.038 0.000 2.585 127 S HA 0.383 4.852 4.470 -0.002 0.000 0.273 127 S C -0.297 174.211 174.600 -0.153 0.000 1.339 127 S CA -0.488 57.451 58.200 -0.435 0.000 1.028 127 S CB 0.741 63.136 63.200 -1.342 0.000 0.906 127 S HN 0.460 nan 8.310 nan 0.000 0.528 128 Y N -2.427 117.737 120.300 -0.226 0.000 2.732 128 Y HA 0.641 5.189 4.550 -0.002 0.000 0.342 128 Y C -0.810 175.080 175.900 -0.017 0.000 1.203 128 Y CA -0.937 57.041 58.100 -0.204 0.000 1.092 128 Y CB 0.500 38.808 38.460 -0.253 0.000 1.345 128 Y HN 0.879 nan 8.280 nan 0.000 0.458 129 T N 0.039 114.632 114.554 0.066 0.000 2.912 129 T HA 1.008 5.357 4.350 -0.002 0.000 0.288 129 T C -0.469 174.312 174.700 0.134 0.000 1.030 129 T CA -0.095 62.065 62.100 0.100 0.000 1.020 129 T CB 1.728 70.616 68.868 0.033 0.000 1.056 129 T HN 1.833 nan 8.240 nan 0.000 0.480 130 A N 1.110 123.998 122.820 0.113 0.000 2.599 130 A HA 0.784 5.103 4.320 -0.002 0.000 0.290 130 A C -0.587 176.822 177.584 -0.293 0.000 1.101 130 A CA -0.992 50.985 52.037 -0.101 0.000 0.674 130 A CB 1.185 20.122 19.000 -0.106 0.000 1.277 130 A HN 0.873 nan 8.150 nan 0.000 0.419 131 S N -0.683 114.588 115.700 -0.714 0.000 2.593 131 S HA 0.804 5.273 4.470 -0.002 0.000 0.297 131 S C -1.556 172.406 174.600 -1.063 0.000 1.112 131 S CA -0.121 57.583 58.200 -0.827 0.000 1.043 131 S CB 0.779 63.261 63.200 -1.196 0.000 1.054 131 S HN 0.460 nan 8.310 nan 0.000 0.516 132 Y N 0.195 120.281 120.300 -0.358 0.000 2.421 132 Y HA 0.432 4.981 4.550 -0.002 0.000 0.339 132 Y C -0.391 175.525 175.900 0.027 0.000 0.996 132 Y CA -0.935 57.085 58.100 -0.134 0.000 1.046 132 Y CB 1.649 39.979 38.460 -0.217 0.000 1.226 132 Y HN 0.490 nan 8.280 nan 0.000 0.445 133 D N 2.616 123.201 120.400 0.309 0.000 2.269 133 D HA 0.603 5.242 4.640 -0.002 0.000 0.244 133 D C -0.691 175.722 176.300 0.189 0.000 0.992 133 D CA -0.312 53.840 54.000 0.252 0.000 0.894 133 D CB 2.240 43.261 40.800 0.369 0.000 1.248 133 D HN 0.396 nan 8.370 nan 0.000 0.468 134 I N 1.165 121.851 120.570 0.193 0.000 2.562 134 I HA 0.321 4.490 4.170 -0.002 0.000 0.301 134 I C -0.986 175.357 176.117 0.376 0.000 1.003 134 I CA -1.014 60.447 61.300 0.267 0.000 1.127 134 I CB 1.589 39.707 38.000 0.197 0.000 1.304 134 I HN 0.206 nan 8.210 nan 0.000 0.446 135 Y N 4.433 124.912 120.300 0.299 0.000 2.326 135 Y HA 0.298 4.847 4.550 -0.002 0.000 0.329 135 Y C -0.473 175.620 175.900 0.322 0.000 0.973 135 Y CA -0.960 57.317 58.100 0.296 0.000 1.162 135 Y CB 1.129 39.779 38.460 0.317 0.000 1.147 135 Y HN 0.517 nan 8.280 nan 0.000 0.456 136 D N 5.897 126.250 120.400 -0.079 0.000 2.358 136 D HA 0.053 4.692 4.640 -0.002 0.000 0.258 136 D C 0.584 176.562 176.300 -0.538 0.000 1.223 136 D CA 0.548 54.398 54.000 -0.250 0.000 0.886 136 D CB 1.134 41.836 40.800 -0.165 0.000 1.120 136 D HN 0.885 nan 8.370 nan 0.000 0.482 137 L N 4.073 125.056 121.223 -0.400 0.000 2.162 137 L HA -0.086 4.253 4.340 -0.002 0.000 0.205 137 L C 2.055 178.749 176.870 -0.294 0.000 1.086 137 L CA 0.288 54.969 54.840 -0.265 0.000 0.778 137 L CB -0.243 41.734 42.059 -0.138 0.000 0.928 137 L HN 0.339 nan 8.230 nan 0.000 0.446 138 N N 0.249 118.745 118.700 -0.340 0.000 2.069 138 N HA -0.132 4.607 4.740 -0.002 0.000 0.191 138 N C 1.093 176.472 175.510 -0.218 0.000 1.031 138 N CA 1.193 54.086 53.050 -0.260 0.000 0.852 138 N CB -0.045 38.285 38.487 -0.262 0.000 1.018 138 N HN 0.294 nan 8.380 nan 0.000 0.423 139 K N -0.088 120.167 120.400 -0.242 0.000 3.029 139 K HA 0.286 4.605 4.320 -0.002 0.000 0.347 139 K C 0.165 176.621 176.600 -0.240 0.000 0.994 139 K CA 0.103 56.269 56.287 -0.202 0.000 1.278 139 K CB 0.271 32.665 32.500 -0.177 0.000 1.270 139 K HN -0.072 nan 8.250 nan 0.000 0.550 140 R N 0.042 120.396 120.500 -0.244 0.000 2.522 140 R HA 0.179 4.518 4.340 -0.002 0.000 0.314 140 R C -1.074 175.099 176.300 -0.212 0.000 1.178 140 R CA -0.095 55.871 56.100 -0.225 0.000 1.294 140 R CB 0.921 31.193 30.300 -0.046 0.000 1.345 140 R HN 0.369 nan 8.270 nan 0.000 0.710 141 Q N 0.692 120.217 119.800 -0.458 0.000 2.372 141 Q HA 0.431 4.770 4.340 -0.002 0.000 0.273 141 Q C -0.877 175.084 176.000 -0.064 0.000 1.078 141 Q CA -0.944 54.780 55.803 -0.131 0.000 0.806 141 Q CB 3.035 31.735 28.738 -0.063 0.000 1.332 141 Q HN 0.134 nan 8.270 nan 0.000 0.435 142 L N 2.698 124.070 121.223 0.248 0.000 2.416 142 L HA 0.279 4.618 4.340 -0.002 0.000 0.272 142 L C -0.108 176.870 176.870 0.179 0.000 1.161 142 L CA -0.176 54.856 54.840 0.320 0.000 0.845 142 L CB 0.424 42.704 42.059 0.368 0.000 1.119 142 L HN 0.478 nan 8.230 nan 0.000 0.464 143 I N 2.388 123.064 120.570 0.177 0.000 2.416 143 I HA 0.008 4.177 4.170 -0.002 0.000 0.288 143 I C 1.251 177.425 176.117 0.095 0.000 1.051 143 I CA 0.188 61.559 61.300 0.117 0.000 1.375 143 I CB 1.285 39.349 38.000 0.106 0.000 1.407 143 I HN 0.726 nan 8.210 nan 0.000 0.516 144 T N 0.742 115.335 114.554 0.064 0.000 3.001 144 T HA 0.247 4.596 4.350 -0.002 0.000 0.251 144 T C 0.400 175.108 174.700 0.013 0.000 1.040 144 T CA -0.273 61.854 62.100 0.045 0.000 0.985 144 T CB -0.015 68.879 68.868 0.044 0.000 1.011 144 T HN 0.537 nan 8.240 nan 0.000 0.509 145 E N 1.958 122.161 120.200 0.005 0.000 2.191 145 E HA 0.496 4.845 4.350 -0.002 0.000 0.274 145 E C -0.562 176.016 176.600 -0.036 0.000 0.948 145 E CA -0.924 55.466 56.400 -0.017 0.000 0.802 145 E CB 0.777 30.471 29.700 -0.010 0.000 1.137 145 E HN 0.050 nan 8.360 nan 0.000 0.397 146 E N 1.109 121.272 120.200 -0.061 0.000 2.271 146 E HA -0.231 4.118 4.350 -0.002 0.000 0.223 146 E C -0.726 175.800 176.600 -0.123 0.000 1.223 146 E CA 0.548 56.894 56.400 -0.090 0.000 0.704 146 E CB -1.445 28.214 29.700 -0.067 0.000 1.194 146 E HN 0.534 nan 8.360 nan 0.000 0.375 147 R N -0.143 120.275 120.500 -0.136 0.000 2.694 147 R HA 0.335 4.674 4.340 -0.002 0.000 0.268 147 R C 1.148 177.262 176.300 -0.309 0.000 1.061 147 R CA -0.378 55.623 56.100 -0.165 0.000 1.133 147 R CB 0.475 30.705 30.300 -0.117 0.000 1.020 147 R HN 0.144 nan 8.270 nan 0.000 0.475 148 I N 4.597 124.938 120.570 -0.381 0.000 2.618 148 I HA 0.035 4.204 4.170 -0.002 0.000 0.284 148 I C -1.526 174.272 176.117 -0.532 0.000 1.146 148 I CA -1.463 59.436 61.300 -0.668 0.000 1.425 148 I CB 0.396 38.005 38.000 -0.652 0.000 1.383 148 I HN 0.348 nan 8.210 nan 0.000 0.562 149 P HA 0.089 nan 4.420 nan 0.000 0.274 149 P C -0.835 176.250 177.300 -0.359 0.000 1.237 149 P CA -0.456 62.259 63.100 -0.642 0.000 0.793 149 P CB 0.454 31.371 31.700 -1.305 0.000 0.977 150 N N 1.823 120.399 118.700 -0.207 0.000 2.344 150 N HA -0.046 4.693 4.740 -0.002 0.000 0.236 150 N C 0.710 176.294 175.510 0.123 0.000 1.279 150 N CA 0.464 53.472 53.050 -0.070 0.000 0.882 150 N CB -0.588 37.874 38.487 -0.042 0.000 1.110 150 N HN 0.439 nan 8.380 nan 0.000 0.436 151 N N -1.295 117.466 118.700 0.102 0.000 2.735 151 N HA -0.167 4.572 4.740 -0.002 0.000 0.248 151 N C -0.877 174.823 175.510 0.316 0.000 1.083 151 N CA 0.699 53.856 53.050 0.177 0.000 0.703 151 N CB -1.718 36.875 38.487 0.177 0.000 1.005 151 N HN 0.469 nan 8.380 nan 0.000 0.550 152 T N 0.800 115.519 114.554 0.275 0.000 2.870 152 T HA 0.116 4.465 4.350 -0.002 0.000 0.300 152 T C 1.695 176.544 174.700 0.249 0.000 0.989 152 T CA 0.065 62.343 62.100 0.297 0.000 1.139 152 T CB 1.363 70.316 68.868 0.142 0.000 0.920 152 T HN 0.184 nan 8.240 nan 0.000 0.537 153 Q N 1.897 121.832 119.800 0.224 0.000 2.204 153 Q HA 0.148 4.487 4.340 -0.002 0.000 0.198 153 Q C 0.171 176.293 176.000 0.203 0.000 0.946 153 Q CA 0.494 56.430 55.803 0.222 0.000 0.859 153 Q CB 0.715 29.538 28.738 0.141 0.000 0.946 153 Q HN 0.699 nan 8.270 nan 0.000 0.474 154 W N 0.166 121.394 121.300 -0.120 0.000 3.372 154 W HA 0.477 5.136 4.660 -0.002 0.000 0.315 154 W C -2.189 174.217 176.519 -0.188 0.000 1.223 154 W CA -0.665 56.568 57.345 -0.187 0.000 1.202 154 W CB 1.397 30.688 29.460 -0.281 0.000 1.367 154 W HN -0.350 nan 8.180 nan 0.000 0.531 155 V N 3.156 122.343 119.914 -1.212 0.000 2.841 155 V HA 0.678 4.797 4.120 -0.002 0.000 0.310 155 V C -0.478 174.966 176.094 -1.083 0.000 1.090 155 V CA -0.691 61.016 62.300 -0.988 0.000 0.930 155 V CB 1.597 32.752 31.823 -1.113 0.000 1.014 155 V HN 0.501 nan 8.190 nan 0.000 0.425 156 T N 2.875 117.130 114.554 -0.498 0.000 3.032 156 T HA 0.528 4.877 4.350 -0.002 0.000 0.312 156 T C -1.443 173.270 174.700 0.022 0.000 1.078 156 T CA -0.295 61.722 62.100 -0.138 0.000 1.028 156 T CB 0.764 69.806 68.868 0.289 0.000 1.091 156 T HN 0.547 nan 8.240 nan 0.000 0.457 157 W N 3.559 124.878 121.300 0.031 0.000 2.202 157 W HA 0.430 5.089 4.660 -0.002 0.000 0.332 157 W C 1.253 177.586 176.519 -0.310 0.000 1.263 157 W CA -0.632 56.673 57.345 -0.067 0.000 1.223 157 W CB 0.600 30.030 29.460 -0.050 0.000 1.128 157 W HN 0.784 nan 8.180 nan 0.000 0.573 158 S N 1.988 117.360 115.700 -0.546 0.000 2.569 158 S HA 0.024 4.493 4.470 -0.002 0.000 0.274 158 S C -1.789 172.550 174.600 -0.434 0.000 1.353 158 S CA -0.817 56.615 58.200 -1.280 0.000 1.023 158 S CB 0.567 62.954 63.200 -1.355 0.000 0.876 158 S HN 0.317 nan 8.310 nan 0.000 0.540 159 P HA 0.140 nan 4.420 nan 0.000 0.225 159 P C -0.273 176.984 177.300 -0.072 0.000 1.156 159 P CA 0.432 63.492 63.100 -0.067 0.000 0.787 159 P CB 0.102 31.807 31.700 0.008 0.000 0.802 160 V N -1.413 118.415 119.914 -0.144 0.000 2.735 160 V HA 0.680 4.799 4.120 -0.002 0.000 0.310 160 V C 0.856 176.853 176.094 -0.161 0.000 1.061 160 V CA 0.090 62.323 62.300 -0.111 0.000 0.913 160 V CB 0.911 32.679 31.823 -0.092 0.000 1.005 160 V HN 0.420 nan 8.190 nan 0.000 0.428 161 G N 3.067 111.799 108.800 -0.114 0.000 2.514 161 G HA2 -0.209 3.750 3.960 -0.002 0.000 0.265 161 G HA3 -0.209 3.750 3.960 -0.002 0.000 0.265 161 G C 0.170 175.013 174.900 -0.095 0.000 1.150 161 G CA 0.588 45.604 45.100 -0.139 0.000 0.959 161 G HN 1.810 nan 8.290 nan 0.000 0.556 162 H N -0.418 118.635 119.070 -0.028 0.000 3.192 162 H HA 0.339 4.894 4.556 -0.002 0.000 0.247 162 H C 0.180 175.664 175.328 0.260 0.000 1.203 162 H CA -0.003 56.080 56.048 0.058 0.000 0.973 162 H CB -0.383 29.415 29.762 0.060 0.000 2.500 162 H HN 0.554 nan 8.280 nan 0.000 0.678 163 K N 1.827 122.225 120.400 -0.004 0.000 2.382 163 K HA 0.361 4.680 4.320 -0.002 0.000 0.275 163 K C -0.262 176.437 176.600 0.166 0.000 1.009 163 K CA -0.122 56.184 56.287 0.033 0.000 0.970 163 K CB 1.562 33.951 32.500 -0.186 0.000 0.934 163 K HN 0.141 nan 8.250 nan 0.000 0.479 164 L N 1.701 123.031 121.223 0.179 0.000 2.334 164 L HA 0.544 4.883 4.340 -0.002 0.000 0.276 164 L C -0.543 176.519 176.870 0.319 0.000 1.014 164 L CA -0.796 54.094 54.840 0.083 0.000 0.815 164 L CB 1.939 43.897 42.059 -0.168 0.000 1.268 164 L HN 0.709 nan 8.230 nan 0.000 0.428 165 A N 2.899 125.931 122.820 0.354 0.000 2.343 165 A HA 0.776 5.095 4.320 -0.002 0.000 0.316 165 A C -1.473 176.162 177.584 0.084 0.000 1.104 165 A CA -0.380 51.766 52.037 0.183 0.000 0.768 165 A CB 1.077 20.101 19.000 0.039 0.000 1.213 165 A HN 0.649 nan 8.150 nan 0.000 0.456 166 Y N -0.295 119.967 120.300 -0.063 0.000 2.581 166 Y HA 0.774 5.323 4.550 -0.002 0.000 0.345 166 Y C -1.195 174.721 175.900 0.026 0.000 1.036 166 Y CA -1.557 56.482 58.100 -0.100 0.000 1.042 166 Y CB 1.293 39.626 38.460 -0.211 0.000 1.289 166 Y HN 0.373 nan 8.280 nan 0.000 0.471 167 V N 2.519 122.539 119.914 0.177 0.000 2.448 167 V HA 0.344 4.463 4.120 -0.002 0.000 0.295 167 V C -1.394 174.902 176.094 0.336 0.000 1.025 167 V CA -0.599 61.784 62.300 0.137 0.000 0.859 167 V CB 1.177 32.996 31.823 -0.007 0.000 0.988 167 V HN 0.877 nan 8.190 nan 0.000 0.431 168 W N 4.614 126.011 121.300 0.162 0.000 2.998 168 W HA 0.456 5.115 4.660 -0.002 0.000 0.335 168 W C 0.384 176.959 176.519 0.092 0.000 1.110 168 W CA -0.910 56.516 57.345 0.134 0.000 1.230 168 W CB 1.262 30.798 29.460 0.128 0.000 1.405 168 W HN 0.779 nan 8.180 nan 0.000 0.493 169 N N 5.083 123.432 118.700 -0.584 0.000 2.708 169 N HA -0.352 4.387 4.740 -0.002 0.000 0.251 169 N C -0.096 175.245 175.510 -0.282 0.000 1.017 169 N CA 1.028 53.742 53.050 -0.560 0.000 0.742 169 N CB -0.834 37.126 38.487 -0.880 0.000 0.943 169 N HN 0.672 nan 8.380 nan 0.000 0.539 170 N N -1.691 116.904 118.700 -0.175 0.000 2.800 170 N HA -0.160 4.579 4.740 -0.002 0.000 0.250 170 N C -1.405 174.014 175.510 -0.153 0.000 1.078 170 N CA 1.558 54.517 53.050 -0.151 0.000 0.804 170 N CB -0.565 37.789 38.487 -0.222 0.000 1.135 170 N HN 0.541 nan 8.380 nan 0.000 0.565 171 D N -0.075 120.243 120.400 -0.137 0.000 2.342 171 D HA 0.484 5.123 4.640 -0.002 0.000 0.243 171 D C 0.479 176.571 176.300 -0.347 0.000 1.019 171 D CA -0.443 53.389 54.000 -0.279 0.000 0.864 171 D CB 1.301 41.877 40.800 -0.373 0.000 1.315 171 D HN 0.018 nan 8.370 nan 0.000 0.468 172 I N 1.986 122.206 120.570 -0.583 0.000 2.396 172 I HA 0.218 4.387 4.170 -0.002 0.000 0.292 172 I C -0.553 175.037 176.117 -0.878 0.000 0.999 172 I CA -0.388 60.548 61.300 -0.607 0.000 1.310 172 I CB 0.489 38.085 38.000 -0.673 0.000 1.404 172 I HN 0.166 nan 8.210 nan 0.000 0.496 173 Y N 4.159 124.078 120.300 -0.635 0.000 2.536 173 Y HA 0.699 5.248 4.550 -0.002 0.000 0.347 173 Y C -0.315 175.286 175.900 -0.498 0.000 1.000 173 Y CA -1.009 56.693 58.100 -0.664 0.000 1.051 173 Y CB 1.981 39.743 38.460 -1.162 0.000 1.259 173 Y HN 0.108 nan 8.280 nan 0.000 0.468 174 V N 2.156 122.044 119.914 -0.044 0.000 2.638 174 V HA 0.433 4.552 4.120 -0.002 0.000 0.306 174 V C -0.894 175.353 176.094 0.256 0.000 1.052 174 V CA -1.488 60.872 62.300 0.101 0.000 0.885 174 V CB 1.960 33.833 31.823 0.085 0.000 0.999 174 V HN 0.624 nan 8.190 nan 0.000 0.424 175 K N 4.100 124.652 120.400 0.253 0.000 2.206 175 K HA 0.532 4.851 4.320 -0.002 0.000 0.264 175 K C 0.272 177.006 176.600 0.223 0.000 0.967 175 K CA -0.790 55.640 56.287 0.239 0.000 0.844 175 K CB 2.025 34.617 32.500 0.154 0.000 1.099 175 K HN 0.419 nan 8.250 nan 0.000 0.441 176 I N 1.048 121.760 120.570 0.236 0.000 2.584 176 I HA -0.021 4.148 4.170 -0.002 0.000 0.255 176 I C 0.341 176.547 176.117 0.148 0.000 1.145 176 I CA 1.304 62.703 61.300 0.164 0.000 1.462 176 I CB -0.261 37.839 38.000 0.167 0.000 1.102 176 I HN 0.566 nan 8.210 nan 0.000 0.433 177 E N 0.172 120.464 120.200 0.153 0.000 2.272 177 E HA 0.278 4.627 4.350 -0.002 0.000 0.269 177 E C -1.909 174.700 176.600 0.014 0.000 0.877 177 E CA -1.864 54.614 56.400 0.130 0.000 0.755 177 E CB 2.160 31.935 29.700 0.126 0.000 1.192 177 E HN -0.166 nan 8.360 nan 0.000 0.422 178 P HA -0.183 nan 4.420 nan 0.000 0.216 178 P C 0.898 178.137 177.300 -0.103 0.000 1.150 178 P CA 1.380 64.355 63.100 -0.209 0.000 0.843 178 P CB 0.288 31.650 31.700 -0.564 0.000 0.787 179 N N -1.352 117.312 118.700 -0.061 0.000 2.412 179 N HA -0.022 4.717 4.740 -0.002 0.000 0.184 179 N C 0.291 175.798 175.510 -0.005 0.000 1.101 179 N CA 0.513 53.557 53.050 -0.010 0.000 0.881 179 N CB -0.596 37.905 38.487 0.025 0.000 0.969 179 N HN 0.076 nan 8.380 nan 0.000 0.459 180 L N 1.181 122.406 121.223 0.003 0.000 2.375 180 L HA 0.548 4.887 4.340 -0.002 0.000 0.268 180 L C -2.186 174.672 176.870 -0.020 0.000 1.058 180 L CA -2.418 52.426 54.840 0.005 0.000 0.803 180 L CB 0.908 42.993 42.059 0.042 0.000 1.212 180 L HN -0.082 nan 8.230 nan 0.000 0.451 181 P HA 0.142 nan 4.420 nan 0.000 0.271 181 P C -0.903 176.316 177.300 -0.134 0.000 1.216 181 P CA -0.389 62.650 63.100 -0.101 0.000 0.771 181 P CB 0.479 32.099 31.700 -0.134 0.000 0.864 182 S N 2.502 118.168 115.700 -0.057 0.000 2.592 182 S HA 0.318 4.787 4.470 -0.002 0.000 0.271 182 S C -0.648 173.932 174.600 -0.032 0.000 1.326 182 S CA -0.330 57.898 58.200 0.048 0.000 1.024 182 S CB -0.024 63.278 63.200 0.171 0.000 0.921 182 S HN 0.237 nan 8.310 nan 0.000 0.527 183 Y N 0.742 121.082 120.300 0.066 0.000 2.326 183 Y HA 0.430 4.979 4.550 -0.002 0.000 0.337 183 Y C 0.916 176.785 175.900 -0.051 0.000 1.023 183 Y CA -0.750 57.371 58.100 0.035 0.000 1.143 183 Y CB 0.900 39.373 38.460 0.021 0.000 1.183 183 Y HN 0.695 nan 8.280 nan 0.000 0.485 184 R N 3.605 124.111 120.500 0.010 0.000 2.316 184 R HA 0.212 4.551 4.340 -0.002 0.000 0.314 184 R C 0.183 176.288 176.300 -0.325 0.000 1.069 184 R CA -0.039 55.785 56.100 -0.460 0.000 0.959 184 R CB 0.234 30.081 30.300 -0.755 0.000 0.987 184 R HN 0.749 nan 8.270 nan 0.000 0.446 185 I N 2.153 122.431 120.570 -0.487 0.000 2.556 185 I HA -0.024 4.145 4.170 -0.002 0.000 0.251 185 I C 1.106 177.052 176.117 -0.284 0.000 1.105 185 I CA 0.990 62.107 61.300 -0.306 0.000 1.436 185 I CB -0.766 36.993 38.000 -0.402 0.000 1.139 185 I HN 0.635 nan 8.210 nan 0.000 0.438 186 T N -3.476 110.775 114.554 -0.505 0.000 2.888 186 T HA 0.363 4.712 4.350 -0.002 0.000 0.284 186 T C -0.509 173.935 174.700 -0.428 0.000 1.017 186 T CA -0.500 61.396 62.100 -0.340 0.000 1.022 186 T CB 1.823 70.465 68.868 -0.377 0.000 1.013 186 T HN 0.203 nan 8.240 nan 0.000 0.465 187 W N 0.763 121.949 121.300 -0.190 0.000 2.702 187 W HA 0.233 4.892 4.660 -0.002 0.000 0.369 187 W C 1.904 178.364 176.519 -0.099 0.000 0.987 187 W CA -0.140 57.129 57.345 -0.127 0.000 1.702 187 W CB 0.402 29.808 29.460 -0.089 0.000 1.138 187 W HN 0.937 nan 8.180 nan 0.000 0.552 188 T N -3.192 111.392 114.554 0.050 0.000 3.040 188 T HA 0.285 4.634 4.350 -0.002 0.000 0.250 188 T C 1.246 175.932 174.700 -0.022 0.000 1.058 188 T CA 0.159 62.275 62.100 0.027 0.000 0.988 188 T CB -0.126 68.758 68.868 0.027 0.000 0.993 188 T HN -0.022 nan 8.240 nan 0.000 0.519 189 G N 1.296 110.050 108.800 -0.077 0.000 2.265 189 G HA2 0.348 4.307 3.960 -0.002 0.000 0.240 189 G HA3 0.348 4.307 3.960 -0.002 0.000 0.240 189 G C -0.633 174.194 174.900 -0.122 0.000 1.270 189 G CA -0.275 44.755 45.100 -0.116 0.000 0.901 189 G HN 0.517 nan 8.290 nan 0.000 0.507 190 K N 1.618 121.925 120.400 -0.154 0.000 2.588 190 K HA 0.141 4.460 4.320 -0.002 0.000 0.250 190 K C -0.277 176.195 176.600 -0.214 0.000 0.972 190 K CA -0.659 55.541 56.287 -0.146 0.000 0.821 190 K CB 1.746 34.200 32.500 -0.077 0.000 1.249 190 K HN 0.687 nan 8.250 nan 0.000 0.442 191 E N 3.530 123.615 120.200 -0.192 0.000 2.694 191 E HA -0.156 4.193 4.350 -0.002 0.000 0.250 191 E C -0.632 175.887 176.600 -0.135 0.000 0.963 191 E CA 0.904 57.191 56.400 -0.188 0.000 0.949 191 E CB 0.208 29.833 29.700 -0.124 0.000 0.911 191 E HN 0.596 nan 8.360 nan 0.000 0.500 192 D N 2.619 122.926 120.400 -0.156 0.000 3.079 192 D HA -0.232 4.407 4.640 -0.002 0.000 0.214 192 D C 0.450 176.816 176.300 0.111 0.000 1.145 192 D CA 1.497 55.540 54.000 0.071 0.000 0.958 192 D CB -1.010 39.859 40.800 0.115 0.000 1.117 192 D HN 0.552 nan 8.370 nan 0.000 0.416 193 I N -1.182 119.364 120.570 -0.041 0.000 3.814 193 I HA 0.078 4.247 4.170 -0.002 0.000 0.264 193 I C 0.333 176.524 176.117 0.123 0.000 1.145 193 I CA -0.042 61.306 61.300 0.080 0.000 1.375 193 I CB 0.637 38.658 38.000 0.035 0.000 1.638 193 I HN -0.173 nan 8.210 nan 0.000 0.432 194 I N 1.386 121.937 120.570 -0.031 0.000 2.406 194 I HA 0.299 4.468 4.170 -0.002 0.000 0.290 194 I C -1.449 174.630 176.117 -0.064 0.000 0.999 194 I CA -0.503 60.836 61.300 0.065 0.000 1.124 194 I CB 0.897 38.925 38.000 0.046 0.000 1.289 194 I HN 0.046 nan 8.210 nan 0.000 0.441 195 Y N 4.462 124.860 120.300 0.164 0.000 2.328 195 Y HA 0.397 4.946 4.550 -0.002 0.000 0.333 195 Y C 0.317 176.306 175.900 0.147 0.000 0.958 195 Y CA -0.775 57.427 58.100 0.170 0.000 1.167 195 Y CB 1.161 39.793 38.460 0.286 0.000 1.151 195 Y HN 0.411 nan 8.280 nan 0.000 0.470 196 N N 2.395 121.172 118.700 0.129 0.000 2.469 196 N HA 0.331 5.070 4.740 -0.002 0.000 0.253 196 N C 0.796 176.261 175.510 -0.075 0.000 0.970 196 N CA 0.402 53.465 53.050 0.021 0.000 0.940 196 N CB 1.791 40.187 38.487 -0.150 0.000 1.128 196 N HN 0.995 nan 8.380 nan 0.000 0.503 197 G N 1.712 110.502 108.800 -0.016 0.000 2.162 197 G HA2 -0.259 3.700 3.960 -0.002 0.000 0.260 197 G HA3 -0.259 3.700 3.960 -0.002 0.000 0.260 197 G C 0.124 174.884 174.900 -0.233 0.000 0.976 197 G CA 0.781 45.783 45.100 -0.163 0.000 0.655 197 G HN 0.656 nan 8.290 nan 0.000 0.533 198 I N -2.164 118.347 120.570 -0.099 0.000 2.934 198 I HA 0.832 5.001 4.170 -0.002 0.000 0.306 198 I C 0.271 176.387 176.117 -0.002 0.000 1.110 198 I CA -0.717 60.432 61.300 -0.251 0.000 1.019 198 I CB 2.076 39.738 38.000 -0.564 0.000 1.227 198 I HN 0.155 nan 8.210 nan 0.000 0.434 199 T N -0.353 114.126 114.554 -0.124 0.000 2.922 199 T HA 0.382 4.731 4.350 -0.002 0.000 0.285 199 T C -0.214 174.280 174.700 -0.344 0.000 1.005 199 T CA -0.704 61.171 62.100 -0.377 0.000 1.061 199 T CB 1.266 70.034 68.868 -0.166 0.000 1.007 199 T HN 0.765 nan 8.240 nan 0.000 0.502 200 D N 0.853 120.785 120.400 -0.781 0.000 2.447 200 D HA 0.013 4.652 4.640 -0.002 0.000 0.265 200 D C 0.997 177.231 176.300 -0.111 0.000 1.250 200 D CA -1.049 52.534 54.000 -0.694 0.000 1.046 200 D CB 0.257 40.551 40.800 -0.843 0.000 1.095 200 D HN 0.712 nan 8.370 nan 0.000 0.555 201 W N 0.242 121.502 121.300 -0.067 0.000 2.315 201 W HA -0.278 4.381 4.660 -0.002 0.000 0.323 201 W C 2.234 178.675 176.519 -0.130 0.000 1.233 201 W CA 3.311 60.625 57.345 -0.051 0.000 1.267 201 W CB -0.507 28.885 29.460 -0.113 0.000 1.160 201 W HN 0.255 nan 8.180 nan 0.000 0.474 202 V N -2.191 117.836 119.914 0.188 0.000 2.427 202 V HA -0.303 3.816 4.120 -0.002 0.000 0.248 202 V C 1.785 177.737 176.094 -0.236 0.000 1.051 202 V CA 1.820 64.093 62.300 -0.045 0.000 1.048 202 V CB -1.746 30.023 31.823 -0.090 0.000 0.666 202 V HN 0.312 nan 8.190 nan 0.000 0.456 203 Y N 1.141 121.301 120.300 -0.233 0.000 2.242 203 Y HA -0.087 4.462 4.550 -0.002 0.000 0.291 203 Y C 2.860 178.678 175.900 -0.136 0.000 1.137 203 Y CA 2.086 60.058 58.100 -0.213 0.000 1.181 203 Y CB -0.116 38.145 38.460 -0.332 0.000 0.989 203 Y HN 0.333 nan 8.280 nan 0.000 0.527 204 E N 0.286 120.466 120.200 -0.033 0.000 2.031 204 E HA -0.292 4.057 4.350 -0.002 0.000 0.193 204 E C 2.008 178.562 176.600 -0.076 0.000 0.994 204 E CA 1.603 57.995 56.400 -0.014 0.000 0.800 204 E CB 0.027 29.716 29.700 -0.018 0.000 0.752 204 E HN 0.401 nan 8.360 nan 0.000 0.447 205 E N 0.294 120.275 120.200 -0.364 0.000 2.051 205 E HA -0.144 4.205 4.350 -0.002 0.000 0.189 205 E C 1.786 178.270 176.600 -0.193 0.000 0.979 205 E CA 1.446 57.613 56.400 -0.388 0.000 0.803 205 E CB 0.093 29.214 29.700 -0.964 0.000 0.761 205 E HN 0.176 nan 8.360 nan 0.000 0.451 206 E N -0.648 119.413 120.200 -0.231 0.000 2.364 206 E HA 0.070 4.419 4.350 -0.002 0.000 0.196 206 E C 1.778 178.250 176.600 -0.213 0.000 0.990 206 E CA 0.520 56.821 56.400 -0.164 0.000 0.886 206 E CB 0.784 30.367 29.700 -0.195 0.000 0.866 206 E HN 0.220 nan 8.360 nan 0.000 0.493 207 V N -0.626 119.117 119.914 -0.285 0.000 2.939 207 V HA 0.052 4.171 4.120 -0.002 0.000 0.228 207 V C 1.523 177.418 176.094 -0.331 0.000 1.162 207 V CA 0.493 62.541 62.300 -0.420 0.000 1.222 207 V CB -0.386 31.019 31.823 -0.698 0.000 1.053 207 V HN -0.003 nan 8.190 nan 0.000 0.504 208 F N 1.078 121.051 119.950 0.039 0.000 2.664 208 F HA 0.228 4.754 4.527 -0.002 0.000 0.296 208 F C 1.594 177.361 175.800 -0.055 0.000 1.125 208 F CA 0.334 58.366 58.000 0.053 0.000 1.444 208 F CB -0.494 38.581 39.000 0.125 0.000 1.114 208 F HN 0.105 nan 8.300 nan 0.000 0.576 209 S N 0.415 116.126 115.700 0.018 0.000 3.549 209 S HA -0.003 4.466 4.470 -0.002 0.000 0.366 209 S C 0.069 174.288 174.600 -0.634 0.000 1.012 209 S CA 0.388 58.436 58.200 -0.253 0.000 1.141 209 S CB -1.847 61.263 63.200 -0.149 0.000 0.910 209 S HN 0.641 nan 8.310 nan 0.000 0.471 210 A N -0.413 122.247 122.820 -0.266 0.000 2.594 210 A HA 0.674 4.993 4.320 -0.002 0.000 0.296 210 A C -0.172 177.388 177.584 -0.040 0.000 1.061 210 A CA -0.565 51.346 52.037 -0.210 0.000 0.689 210 A CB 0.405 19.284 19.000 -0.201 0.000 1.280 210 A HN 0.253 nan 8.150 nan 0.000 0.406 211 Y N 1.793 121.949 120.300 -0.239 0.000 2.286 211 Y HA 0.097 4.646 4.550 -0.002 0.000 0.293 211 Y C 1.689 177.298 175.900 -0.485 0.000 1.124 211 Y CA 1.325 59.276 58.100 -0.247 0.000 1.178 211 Y CB -0.078 38.285 38.460 -0.162 0.000 1.010 211 Y HN 0.693 nan 8.280 nan 0.000 0.536 212 S N 0.561 115.726 115.700 -0.891 0.000 2.549 212 S HA 0.365 4.834 4.470 -0.002 0.000 0.286 212 S C 0.262 174.321 174.600 -0.901 0.000 1.314 212 S CA 0.170 57.599 58.200 -1.284 0.000 1.062 212 S CB 0.254 62.394 63.200 -1.767 0.000 0.865 212 S HN 0.420 nan 8.310 nan 0.000 0.498 213 A N 6.018 128.329 122.820 -0.849 0.000 3.129 213 A HA 0.537 4.856 4.320 -0.002 0.000 0.282 213 A C -0.551 176.357 177.584 -1.126 0.000 0.948 213 A CA -0.528 50.933 52.037 -0.960 0.000 1.027 213 A CB -0.042 18.838 19.000 -0.199 0.000 1.123 213 A HN 0.739 nan 8.150 nan 0.000 0.485 214 L N 0.324 120.742 121.223 -1.341 0.000 2.386 214 L HA 0.599 4.938 4.340 -0.002 0.000 0.271 214 L C -1.129 175.227 176.870 -0.857 0.000 0.993 214 L CA -0.547 53.818 54.840 -0.791 0.000 0.819 214 L CB 1.990 43.805 42.059 -0.406 0.000 1.294 214 L HN 0.486 nan 8.230 nan 0.000 0.414 215 W N 2.428 123.750 121.300 0.037 0.000 2.563 215 W HA 0.221 4.880 4.660 -0.001 0.000 0.301 215 W C -1.053 175.707 176.519 0.401 0.000 1.006 215 W CA -1.087 56.416 57.345 0.263 0.000 1.382 215 W CB 1.108 30.756 29.460 0.313 0.000 1.262 215 W HN 0.508 nan 8.180 nan 0.000 0.403 216 W N 2.588 124.120 121.300 0.386 0.000 2.231 216 W HA 0.118 4.777 4.660 -0.002 0.000 0.341 216 W C 1.424 177.841 176.519 -0.169 0.000 1.298 216 W CA 0.641 58.087 57.345 0.168 0.000 1.266 216 W CB 0.604 30.118 29.460 0.090 0.000 1.172 216 W HN 0.173 nan 8.180 nan 0.000 0.568 217 S N 2.796 118.261 115.700 -0.392 0.000 2.600 217 S HA 0.186 4.655 4.470 -0.002 0.000 0.265 217 S C -1.705 172.651 174.600 -0.406 0.000 1.325 217 S CA -1.090 56.339 58.200 -1.285 0.000 1.002 217 S CB 1.036 63.444 63.200 -1.321 0.000 0.921 217 S HN 0.316 nan 8.310 nan 0.000 0.554 218 P HA -0.001 nan 4.420 nan 0.000 0.225 218 P C 0.899 178.157 177.300 -0.069 0.000 1.148 218 P CA 0.762 63.818 63.100 -0.073 0.000 0.779 218 P CB -0.055 31.648 31.700 0.006 0.000 0.780 219 N N -0.717 117.920 118.700 -0.106 0.000 2.300 219 N HA -0.031 4.708 4.740 -0.002 0.000 0.179 219 N C 1.512 176.950 175.510 -0.121 0.000 1.016 219 N CA 1.544 54.534 53.050 -0.099 0.000 0.876 219 N CB -0.534 37.881 38.487 -0.119 0.000 0.979 219 N HN 0.138 nan 8.380 nan 0.000 0.432 220 G N -1.405 107.338 108.800 -0.094 0.000 2.176 220 G HA2 -0.290 3.669 3.960 -0.002 0.000 0.253 220 G HA3 -0.290 3.669 3.960 -0.002 0.000 0.253 220 G C 1.137 176.078 174.900 0.068 0.000 0.979 220 G CA 1.057 46.122 45.100 -0.059 0.000 0.641 220 G HN 0.379 nan 8.290 nan 0.000 0.530 221 T N 0.176 114.666 114.554 -0.107 0.000 2.701 221 T HA 0.203 4.552 4.350 -0.002 0.000 0.263 221 T C 0.858 175.393 174.700 -0.275 0.000 1.040 221 T CA 1.385 63.297 62.100 -0.314 0.000 1.147 221 T CB -0.120 68.341 68.868 -0.678 0.000 0.865 221 T HN 0.291 nan 8.240 nan 0.000 0.426 222 F N 0.556 120.552 119.950 0.076 0.000 2.422 222 F HA 0.544 5.070 4.527 -0.002 0.000 0.333 222 F C 0.044 175.924 175.800 0.133 0.000 1.095 222 F CA -1.306 56.779 58.000 0.142 0.000 1.038 222 F CB 0.868 40.043 39.000 0.293 0.000 1.156 222 F HN -0.060 nan 8.300 nan 0.000 0.483 223 L N 3.151 124.509 121.223 0.224 0.000 2.316 223 L HA 0.661 5.000 4.340 -0.002 0.000 0.280 223 L C -0.477 176.490 176.870 0.162 0.000 1.006 223 L CA -0.535 54.263 54.840 -0.069 0.000 0.836 223 L CB 0.819 42.581 42.059 -0.495 0.000 1.221 223 L HN 0.820 nan 8.230 nan 0.000 0.418 224 A N 5.170 128.166 122.820 0.294 0.000 2.302 224 A HA 0.641 4.960 4.320 -0.002 0.000 0.285 224 A C -1.190 176.450 177.584 0.094 0.000 1.105 224 A CA -0.167 51.914 52.037 0.073 0.000 0.816 224 A CB 0.645 19.737 19.000 0.153 0.000 1.067 224 A HN 0.734 nan 8.150 nan 0.000 0.489 225 Y N -2.061 117.987 120.300 -0.420 0.000 2.565 225 Y HA 0.680 5.229 4.550 -0.002 0.000 0.330 225 Y C -0.362 175.311 175.900 -0.378 0.000 1.150 225 Y CA -0.817 57.130 58.100 -0.254 0.000 1.055 225 Y CB 0.644 38.962 38.460 -0.235 0.000 1.337 225 Y HN 0.933 nan 8.280 nan 0.000 0.457 226 A N 2.806 125.663 122.820 0.061 0.000 2.295 226 A HA 0.669 4.988 4.320 -0.002 0.000 0.318 226 A C -0.940 176.565 177.584 -0.131 0.000 1.134 226 A CA -0.768 51.195 52.037 -0.123 0.000 0.827 226 A CB 1.540 20.465 19.000 -0.125 0.000 1.136 226 A HN 0.812 nan 8.150 nan 0.000 0.493 227 Q N 0.851 120.473 119.800 -0.297 0.000 2.321 227 Q HA 0.598 4.937 4.340 -0.002 0.000 0.270 227 Q C -2.065 173.699 176.000 -0.393 0.000 1.032 227 Q CA -0.335 55.395 55.803 -0.122 0.000 0.784 227 Q CB 1.150 30.029 28.738 0.235 0.000 1.264 227 Q HN 0.616 nan 8.270 nan 0.000 0.448 228 F N 2.159 122.213 119.950 0.173 0.000 2.480 228 F HA 0.449 4.975 4.527 -0.002 0.000 0.329 228 F C 0.350 176.305 175.800 0.258 0.000 1.091 228 F CA -0.939 57.147 58.000 0.142 0.000 0.972 228 F CB 1.512 40.517 39.000 0.008 0.000 1.150 228 F HN 0.426 nan 8.300 nan 0.000 0.467 229 N N 1.506 120.432 118.700 0.376 0.000 2.531 229 N HA 0.235 4.974 4.740 -0.002 0.000 0.268 229 N C -1.006 174.676 175.510 0.287 0.000 1.023 229 N CA -0.404 52.826 53.050 0.299 0.000 0.896 229 N CB 1.020 39.624 38.487 0.195 0.000 1.233 229 N HN 0.541 nan 8.380 nan 0.000 0.512 230 D N 1.191 121.784 120.400 0.322 0.000 2.368 230 D HA 0.127 4.766 4.640 -0.002 0.000 0.218 230 D C 1.162 177.578 176.300 0.194 0.000 1.112 230 D CA 0.191 54.355 54.000 0.273 0.000 0.834 230 D CB 0.559 41.573 40.800 0.357 0.000 0.953 230 D HN 0.491 nan 8.370 nan 0.000 0.505 231 T N 0.474 115.125 114.554 0.161 0.000 2.620 231 T HA -0.246 4.103 4.350 -0.002 0.000 0.267 231 T C 1.366 176.123 174.700 0.094 0.000 1.044 231 T CA 1.447 63.614 62.100 0.113 0.000 1.161 231 T CB -0.113 68.811 68.868 0.092 0.000 0.862 231 T HN 0.341 nan 8.240 nan 0.000 0.438 232 E N 0.229 120.485 120.200 0.093 0.000 2.474 232 E HA 0.178 4.527 4.350 -0.002 0.000 0.195 232 E C -0.233 176.415 176.600 0.080 0.000 1.039 232 E CA -0.264 56.181 56.400 0.074 0.000 0.881 232 E CB 0.473 30.210 29.700 0.061 0.000 0.970 232 E HN 0.214 nan 8.360 nan 0.000 0.486 233 V N 3.758 123.734 119.914 0.103 0.000 2.521 233 V HA 0.073 4.192 4.120 -0.002 0.000 0.286 233 V C -1.959 174.190 176.094 0.091 0.000 1.034 233 V CA -1.409 60.954 62.300 0.105 0.000 1.045 233 V CB 0.236 32.139 31.823 0.134 0.000 0.974 233 V HN 0.048 nan 8.190 nan 0.000 0.480 234 P HA 0.290 nan 4.420 nan 0.000 0.272 234 P C -0.780 176.555 177.300 0.058 0.000 1.230 234 P CA -0.346 62.789 63.100 0.059 0.000 0.788 234 P CB 0.511 32.241 31.700 0.051 0.000 0.949 235 L N 1.837 123.073 121.223 0.021 0.000 2.295 235 L HA 0.417 4.756 4.340 -0.002 0.000 0.285 235 L C 0.447 177.267 176.870 -0.082 0.000 1.035 235 L CA -1.045 53.791 54.840 -0.008 0.000 0.806 235 L CB 0.926 42.977 42.059 -0.014 0.000 1.214 235 L HN 0.289 nan 8.230 nan 0.000 0.426 236 I N 2.842 123.314 120.570 -0.164 0.000 2.441 236 I HA 0.152 4.321 4.170 -0.002 0.000 0.287 236 I C -0.208 175.774 176.117 -0.224 0.000 1.049 236 I CA 0.382 61.485 61.300 -0.328 0.000 1.381 236 I CB 0.587 38.106 38.000 -0.801 0.000 1.409 236 I HN 0.575 nan 8.210 nan 0.000 0.523 237 E N 7.515 127.603 120.200 -0.187 0.000 2.224 237 E HA 0.493 4.842 4.350 -0.002 0.000 0.265 237 E C -1.727 174.821 176.600 -0.086 0.000 0.878 237 E CA -0.560 55.732 56.400 -0.180 0.000 0.759 237 E CB 1.820 31.438 29.700 -0.137 0.000 1.164 237 E HN 0.561 nan 8.360 nan 0.000 0.414 238 Y N -1.439 118.783 120.300 -0.131 0.000 2.597 238 Y HA 0.573 5.122 4.550 -0.002 0.000 0.340 238 Y C -0.564 175.273 175.900 -0.106 0.000 1.097 238 Y CA -1.337 56.694 58.100 -0.116 0.000 1.037 238 Y CB 0.811 39.210 38.460 -0.101 0.000 1.305 238 Y HN 0.188 nan 8.280 nan 0.000 0.463 239 S N 1.760 117.456 115.700 -0.007 0.000 2.580 239 S HA 0.443 4.912 4.470 -0.002 0.000 0.274 239 S C -1.354 173.112 174.600 -0.223 0.000 1.329 239 S CA -0.312 57.734 58.200 -0.257 0.000 1.036 239 S CB 0.295 63.190 63.200 -0.509 0.000 0.919 239 S HN 0.536 nan 8.310 nan 0.000 0.515 240 F N 2.058 121.738 119.950 -0.450 0.000 2.507 240 F HA 0.436 4.962 4.527 -0.002 0.000 0.328 240 F C -0.398 175.163 175.800 -0.397 0.000 1.136 240 F CA -0.798 57.021 58.000 -0.302 0.000 0.930 240 F CB 0.920 39.879 39.000 -0.069 0.000 1.166 240 F HN 0.633 nan 8.300 nan 0.000 0.436 241 Y N 2.680 122.804 120.300 -0.292 0.000 2.476 241 Y HA 0.174 4.723 4.550 -0.002 0.000 0.283 241 Y C 1.617 177.472 175.900 -0.075 0.000 1.109 241 Y CA 0.947 58.961 58.100 -0.144 0.000 1.246 241 Y CB -0.553 37.803 38.460 -0.173 0.000 1.068 241 Y HN 0.731 nan 8.280 nan 0.000 0.552 242 S N -0.195 115.467 115.700 -0.063 0.000 3.513 242 S HA -0.223 4.246 4.470 -0.002 0.000 0.636 242 S C -0.466 174.196 174.600 0.103 0.000 2.452 242 S CA 0.287 58.588 58.200 0.168 0.000 2.644 242 S CB -1.169 62.212 63.200 0.303 0.000 0.331 242 S HN 0.449 nan 8.310 nan 0.000 1.787 243 D N 1.499 121.973 120.400 0.123 0.000 2.390 243 D HA 0.159 4.798 4.640 -0.002 0.000 0.236 243 D C 1.396 177.735 176.300 0.064 0.000 1.189 243 D CA 0.511 54.561 54.000 0.082 0.000 0.887 243 D CB 0.099 40.947 40.800 0.079 0.000 1.198 243 D HN 0.613 nan 8.370 nan 0.000 0.444 244 E N 0.232 120.457 120.200 0.041 0.000 2.160 244 E HA -0.214 4.135 4.350 -0.002 0.000 0.195 244 E C 1.559 178.176 176.600 0.028 0.000 0.991 244 E CA 1.249 57.664 56.400 0.025 0.000 0.810 244 E CB 0.138 29.846 29.700 0.013 0.000 0.742 244 E HN 0.456 nan 8.360 nan 0.000 0.466 245 S N 0.227 115.949 115.700 0.037 0.000 2.442 245 S HA -0.098 4.371 4.470 -0.002 0.000 0.236 245 S C 1.166 175.794 174.600 0.047 0.000 1.007 245 S CA 0.122 58.344 58.200 0.037 0.000 0.965 245 S CB -0.239 62.985 63.200 0.040 0.000 0.773 245 S HN 0.245 nan 8.310 nan 0.000 0.504 246 L N 2.298 123.559 121.223 0.063 0.000 2.433 246 L HA 0.123 4.462 4.340 -0.002 0.000 0.275 246 L C 1.620 178.527 176.870 0.062 0.000 1.128 246 L CA 0.072 54.961 54.840 0.082 0.000 0.875 246 L CB 0.981 43.106 42.059 0.109 0.000 1.171 246 L HN 0.434 nan 8.230 nan 0.000 0.463 247 Q N 4.081 123.924 119.800 0.072 0.000 2.049 247 Q HA -0.096 4.243 4.340 -0.002 0.000 0.198 247 Q C -0.609 175.310 176.000 -0.136 0.000 0.971 247 Q CA 1.414 57.207 55.803 -0.017 0.000 0.833 247 Q CB 0.194 28.959 28.738 0.044 0.000 0.896 247 Q HN 0.587 nan 8.270 nan 0.000 0.434 248 Y N 0.608 120.927 120.300 0.031 0.000 2.335 248 Y HA 0.387 4.936 4.550 -0.002 0.000 0.338 248 Y C -2.041 173.878 175.900 0.031 0.000 0.977 248 Y CA -3.040 55.076 58.100 0.027 0.000 1.114 248 Y CB 1.200 39.666 38.460 0.011 0.000 1.182 248 Y HN 0.157 nan 8.280 nan 0.000 0.463 249 P HA 0.037 nan 4.420 nan 0.000 0.268 249 P C -0.545 176.772 177.300 0.029 0.000 1.208 249 P CA -0.277 62.854 63.100 0.052 0.000 0.777 249 P CB 0.735 32.411 31.700 -0.041 0.000 0.875 250 K N 0.952 121.355 120.400 0.005 0.000 2.185 250 K HA 0.302 4.621 4.320 -0.002 0.000 0.271 250 K C -0.183 176.371 176.600 -0.077 0.000 1.013 250 K CA -0.157 56.126 56.287 -0.008 0.000 0.943 250 K CB 0.584 33.101 32.500 0.029 0.000 0.998 250 K HN 0.388 nan 8.250 nan 0.000 0.468 251 T N 2.148 116.645 114.554 -0.095 0.000 2.743 251 T HA 0.213 4.562 4.350 -0.002 0.000 0.292 251 T C -0.170 174.407 174.700 -0.204 0.000 0.972 251 T CA -0.625 61.384 62.100 -0.151 0.000 0.967 251 T CB 0.928 69.724 68.868 -0.119 0.000 0.926 251 T HN 0.146 nan 8.240 nan 0.000 0.459 252 V N 5.140 124.839 119.914 -0.358 0.000 2.607 252 V HA 0.483 4.602 4.120 -0.002 0.000 0.289 252 V C 0.422 176.248 176.094 -0.446 0.000 1.053 252 V CA -0.548 61.489 62.300 -0.439 0.000 0.996 252 V CB 1.142 32.567 31.823 -0.663 0.000 0.995 252 V HN 0.719 nan 8.190 nan 0.000 0.476 253 R N 3.008 123.374 120.500 -0.225 0.000 2.502 253 R HA 0.668 5.007 4.340 -0.002 0.000 0.298 253 R C -1.822 174.468 176.300 -0.017 0.000 1.018 253 R CA -0.456 55.563 56.100 -0.135 0.000 0.899 253 R CB 2.197 32.446 30.300 -0.085 0.000 1.181 253 R HN 0.543 nan 8.270 nan 0.000 0.444 254 V N 3.658 123.565 119.914 -0.013 0.000 2.531 254 V HA 0.383 4.502 4.120 -0.002 0.000 0.301 254 V C -2.400 173.746 176.094 0.087 0.000 1.034 254 V CA -2.531 59.826 62.300 0.095 0.000 0.865 254 V CB 2.036 33.884 31.823 0.043 0.000 0.995 254 V HN 0.598 nan 8.190 nan 0.000 0.424 255 P HA 0.216 nan 4.420 nan 0.000 0.271 255 P C -1.306 176.101 177.300 0.179 0.000 1.233 255 P CA 0.279 63.484 63.100 0.174 0.000 0.764 255 P CB -0.111 31.730 31.700 0.236 0.000 0.825 256 Y N 6.109 126.386 120.300 -0.037 0.000 2.287 256 Y HA 0.344 4.893 4.550 -0.002 0.000 0.325 256 Y C -2.825 173.042 175.900 -0.056 0.000 1.139 256 Y CA -2.707 55.317 58.100 -0.127 0.000 1.167 256 Y CB 1.715 39.972 38.460 -0.339 0.000 1.158 256 Y HN 0.281 nan 8.280 nan 0.000 0.434 257 P HA 0.264 nan 4.420 nan 0.000 0.287 257 P C -0.868 176.453 177.300 0.035 0.000 1.307 257 P CA -0.157 62.965 63.100 0.038 0.000 0.777 257 P CB 1.419 33.132 31.700 0.022 0.000 0.883 258 K N 1.932 122.441 120.400 0.182 0.000 2.117 258 K HA 0.524 4.843 4.320 -0.002 0.000 0.240 258 K C 0.541 177.233 176.600 0.154 0.000 1.031 258 K CA -0.774 55.647 56.287 0.223 0.000 0.909 258 K CB 0.528 33.189 32.500 0.269 0.000 1.097 258 K HN 0.436 nan 8.250 nan 0.000 0.492 259 A N 0.484 123.425 122.820 0.201 0.000 2.548 259 A HA 0.340 4.659 4.320 -0.002 0.000 0.247 259 A C 1.107 178.740 177.584 0.082 0.000 1.067 259 A CA 0.868 53.016 52.037 0.184 0.000 0.757 259 A CB -1.108 18.095 19.000 0.338 0.000 0.996 259 A HN 0.879 nan 8.150 nan 0.000 0.504 260 G N 0.842 109.676 108.800 0.057 0.000 2.176 260 G HA2 0.129 4.088 3.960 -0.002 0.000 0.253 260 G HA3 0.129 4.088 3.960 -0.002 0.000 0.253 260 G C 0.593 175.507 174.900 0.024 0.000 0.979 260 G CA 0.588 45.694 45.100 0.011 0.000 0.641 260 G HN 2.099 nan 8.290 nan 0.000 0.530 261 A N -0.412 122.437 122.820 0.049 0.000 2.246 261 A HA 0.786 5.105 4.320 -0.002 0.000 0.291 261 A C 0.795 178.408 177.584 0.049 0.000 1.103 261 A CA 0.196 52.263 52.037 0.051 0.000 0.844 261 A CB 0.857 19.899 19.000 0.071 0.000 1.136 261 A HN 1.164 nan 8.150 nan 0.000 0.500 262 V N 2.130 122.074 119.914 0.050 0.000 2.493 262 V HA -0.015 4.104 4.120 -0.002 0.000 0.292 262 V C 0.685 176.821 176.094 0.069 0.000 1.016 262 V CA 0.356 62.686 62.300 0.051 0.000 1.097 262 V CB -0.599 31.254 31.823 0.051 0.000 0.947 262 V HN 0.866 nan 8.190 nan 0.000 0.479 263 N N 5.996 124.737 118.700 0.068 0.000 2.434 263 N HA 0.414 5.153 4.740 -0.002 0.000 0.266 263 N C -2.411 173.180 175.510 0.135 0.000 1.223 263 N CA -1.278 51.835 53.050 0.104 0.000 0.972 263 N CB 1.096 39.638 38.487 0.093 0.000 1.207 263 N HN 0.459 nan 8.380 nan 0.000 0.525 264 P HA 0.070 nan 4.420 nan 0.000 0.274 264 P C -0.836 176.612 177.300 0.246 0.000 1.237 264 P CA -0.177 63.078 63.100 0.260 0.000 0.793 264 P CB 0.593 32.509 31.700 0.361 0.000 0.977 265 T N -1.969 112.708 114.554 0.205 0.000 2.945 265 T HA 0.573 4.922 4.350 -0.002 0.000 0.286 265 T C -0.310 174.477 174.700 0.146 0.000 1.025 265 T CA -0.862 61.314 62.100 0.128 0.000 1.039 265 T CB 1.459 70.369 68.868 0.070 0.000 1.068 265 T HN 0.309 nan 8.240 nan 0.000 0.497 266 V N 0.838 120.798 119.914 0.077 0.000 2.789 266 V HA 0.714 4.833 4.120 -0.002 0.000 0.311 266 V C -1.304 174.808 176.094 0.031 0.000 1.073 266 V CA -0.824 61.457 62.300 -0.031 0.000 0.921 266 V CB 1.957 33.776 31.823 -0.007 0.000 1.009 266 V HN 1.001 nan 8.190 nan 0.000 0.426 267 K N 4.684 125.039 120.400 -0.075 0.000 2.375 267 K HA 0.570 4.889 4.320 -0.002 0.000 0.249 267 K C -1.830 174.618 176.600 -0.252 0.000 0.942 267 K CA -0.489 55.720 56.287 -0.131 0.000 0.806 267 K CB 2.741 35.147 32.500 -0.157 0.000 1.227 267 K HN 0.564 nan 8.250 nan 0.000 0.430 268 F N 2.189 121.794 119.950 -0.575 0.000 2.508 268 F HA 0.583 5.109 4.527 -0.002 0.000 0.325 268 F C -1.394 173.823 175.800 -0.972 0.000 1.090 268 F CA -0.614 57.033 58.000 -0.589 0.000 0.945 268 F CB 0.917 39.717 39.000 -0.333 0.000 1.156 268 F HN 0.380 nan 8.300 nan 0.000 0.463 269 F N 4.055 123.344 119.950 -1.101 0.000 2.591 269 F HA 0.634 5.160 4.527 -0.002 0.000 0.309 269 F C -1.098 174.128 175.800 -0.956 0.000 1.098 269 F CA -1.152 56.297 58.000 -0.917 0.000 0.937 269 F CB 2.058 40.370 39.000 -1.146 0.000 1.250 269 F HN 0.101 nan 8.300 nan 0.000 0.447 270 V N 3.412 123.136 119.914 -0.317 0.000 2.448 270 V HA 0.633 4.752 4.120 -0.002 0.000 0.295 270 V C -0.618 175.557 176.094 0.135 0.000 1.025 270 V CA -0.843 61.345 62.300 -0.188 0.000 0.859 270 V CB 1.687 33.196 31.823 -0.523 0.000 0.988 270 V HN 0.534 nan 8.190 nan 0.000 0.431 271 V N 3.405 123.463 119.914 0.240 0.000 2.581 271 V HA 0.449 4.568 4.120 -0.002 0.000 0.303 271 V C 0.052 176.369 176.094 0.373 0.000 1.041 271 V CA -0.781 61.688 62.300 0.281 0.000 0.907 271 V CB 2.039 33.975 31.823 0.188 0.000 0.994 271 V HN 0.884 nan 8.190 nan 0.000 0.442 272 N N 2.344 121.252 118.700 0.346 0.000 2.422 272 N HA 0.164 4.903 4.740 -0.002 0.000 0.264 272 N C 0.791 176.327 175.510 0.044 0.000 1.063 272 N CA 0.098 53.270 53.050 0.204 0.000 0.959 272 N CB 1.788 40.378 38.487 0.172 0.000 1.087 272 N HN 0.710 nan 8.380 nan 0.000 0.483 273 T N 1.577 116.126 114.554 -0.008 0.000 3.067 273 T HA 0.014 4.363 4.350 -0.002 0.000 0.261 273 T C 0.586 175.240 174.700 -0.077 0.000 1.110 273 T CA 0.582 62.673 62.100 -0.014 0.000 1.113 273 T CB 0.199 69.159 68.868 0.152 0.000 0.917 273 T HN 0.483 nan 8.240 nan 0.000 0.499 274 D N 1.647 121.988 120.400 -0.099 0.000 2.323 274 D HA 0.009 4.648 4.640 -0.002 0.000 0.209 274 D C 1.615 177.871 176.300 -0.073 0.000 0.973 274 D CA 0.581 54.525 54.000 -0.094 0.000 0.874 274 D CB 0.005 40.735 40.800 -0.117 0.000 0.930 274 D HN 0.469 nan 8.370 nan 0.000 0.521 275 S N -0.089 115.574 115.700 -0.062 0.000 2.537 275 S HA 0.272 4.741 4.470 -0.002 0.000 0.246 275 S C 0.414 174.984 174.600 -0.050 0.000 1.036 275 S CA -0.561 57.623 58.200 -0.026 0.000 1.041 275 S CB -0.306 62.908 63.200 0.024 0.000 0.799 275 S HN -0.004 nan 8.310 nan 0.000 0.456 276 L N 1.991 123.121 121.223 -0.155 0.000 2.326 276 L HA 0.571 4.910 4.340 -0.002 0.000 0.278 276 L C 0.389 177.198 176.870 -0.102 0.000 1.092 276 L CA -0.294 54.378 54.840 -0.281 0.000 0.810 276 L CB 1.595 43.160 42.059 -0.825 0.000 1.153 276 L HN 0.316 nan 8.230 nan 0.000 0.439 277 S N 0.106 115.878 115.700 0.120 0.000 2.513 277 S HA 0.325 4.794 4.470 -0.002 0.000 0.299 277 S C 0.508 175.375 174.600 0.445 0.000 1.087 277 S CA -0.559 57.806 58.200 0.276 0.000 1.012 277 S CB 1.649 64.939 63.200 0.151 0.000 1.044 277 S HN 0.640 nan 8.310 nan 0.000 0.485 278 S N 3.107 119.004 115.700 0.329 0.000 2.660 278 S HA 0.191 4.660 4.470 -0.002 0.000 0.227 278 S C 0.768 175.428 174.600 0.099 0.000 0.948 278 S CA -0.132 58.142 58.200 0.123 0.000 0.948 278 S CB 0.068 63.245 63.200 -0.037 0.000 0.779 278 S HN 0.493 nan 8.310 nan 0.000 0.487 279 V N 0.708 120.695 119.914 0.121 0.000 3.090 279 V HA 0.188 4.307 4.120 -0.002 0.000 0.237 279 V C 0.766 176.909 176.094 0.080 0.000 1.209 279 V CA 0.955 63.305 62.300 0.083 0.000 1.209 279 V CB 0.249 32.113 31.823 0.068 0.000 0.971 279 V HN 0.550 nan 8.190 nan 0.000 0.477 280 T N 0.719 115.331 114.554 0.097 0.000 2.895 280 T HA 0.404 4.753 4.350 -0.002 0.000 0.283 280 T C -0.271 174.494 174.700 0.110 0.000 1.014 280 T CA -0.519 61.627 62.100 0.076 0.000 1.037 280 T CB 1.292 70.197 68.868 0.062 0.000 1.006 280 T HN 0.066 nan 8.240 nan 0.000 0.468 281 N N 1.359 120.101 118.700 0.071 0.000 2.395 281 N HA 0.341 5.080 4.740 -0.002 0.000 0.246 281 N C 0.202 175.781 175.510 0.116 0.000 1.246 281 N CA -0.079 53.035 53.050 0.107 0.000 0.879 281 N CB 0.305 38.778 38.487 -0.024 0.000 1.098 281 N HN 0.887 nan 8.380 nan 0.000 0.444 282 A N 1.323 124.236 122.820 0.155 0.000 2.425 282 A HA 0.305 4.624 4.320 -0.002 0.000 0.242 282 A C 0.067 177.701 177.584 0.085 0.000 1.077 282 A CA 0.068 52.167 52.037 0.103 0.000 0.781 282 A CB 0.126 19.174 19.000 0.080 0.000 1.020 282 A HN 0.552 nan 8.150 nan 0.000 0.494 283 T N 2.366 116.972 114.554 0.087 0.000 2.788 283 T HA 0.439 4.788 4.350 -0.002 0.000 0.296 283 T C -0.141 174.635 174.700 0.128 0.000 1.009 283 T CA -0.120 62.038 62.100 0.098 0.000 0.949 283 T CB 0.712 69.646 68.868 0.109 0.000 0.946 283 T HN 0.535 nan 8.240 nan 0.000 0.453 284 S N 3.890 119.653 115.700 0.105 0.000 2.457 284 S HA 0.461 4.930 4.470 -0.002 0.000 0.289 284 S C 0.119 174.857 174.600 0.230 0.000 1.163 284 S CA -0.834 57.448 58.200 0.136 0.000 1.078 284 S CB 0.455 63.631 63.200 -0.039 0.000 0.987 284 S HN 0.500 nan 8.310 nan 0.000 0.482 285 I N 3.234 123.964 120.570 0.266 0.000 2.304 285 I HA 0.260 4.429 4.170 -0.002 0.000 0.291 285 I C 0.483 176.720 176.117 0.200 0.000 1.018 285 I CA -0.294 61.169 61.300 0.272 0.000 1.260 285 I CB 1.016 39.238 38.000 0.369 0.000 1.390 285 I HN 0.681 nan 8.210 nan 0.000 0.475 286 Q N 6.513 126.409 119.800 0.160 0.000 2.288 286 Q HA 0.397 4.736 4.340 -0.002 0.000 0.258 286 Q C -0.889 175.060 176.000 -0.085 0.000 0.957 286 Q CA -0.292 55.436 55.803 -0.124 0.000 0.919 286 Q CB 1.020 29.662 28.738 -0.159 0.000 1.185 286 Q HN 0.543 nan 8.270 nan 0.000 0.408 287 I N 4.631 125.129 120.570 -0.120 0.000 2.304 287 I HA 0.180 4.349 4.170 -0.002 0.000 0.291 287 I C 0.550 176.637 176.117 -0.050 0.000 1.018 287 I CA -0.614 60.664 61.300 -0.037 0.000 1.260 287 I CB 1.127 39.121 38.000 -0.010 0.000 1.390 287 I HN 0.684 nan 8.210 nan 0.000 0.475 288 T N 3.200 117.696 114.554 -0.097 0.000 2.899 288 T HA 0.639 4.988 4.350 -0.002 0.000 0.284 288 T C 0.313 174.810 174.700 -0.338 0.000 1.004 288 T CA -0.782 61.209 62.100 -0.181 0.000 1.043 288 T CB 1.666 70.431 68.868 -0.172 0.000 1.013 288 T HN 0.606 nan 8.240 nan 0.000 0.518 289 A N 2.976 125.382 122.820 -0.691 0.000 2.366 289 A HA 0.587 4.906 4.320 -0.002 0.000 0.249 289 A C -2.219 174.872 177.584 -0.821 0.000 1.084 289 A CA -1.485 49.718 52.037 -1.390 0.000 0.794 289 A CB -0.886 16.937 19.000 -1.961 0.000 1.034 289 A HN 0.756 nan 8.150 nan 0.000 0.491 290 P HA 0.219 nan 4.420 nan 0.000 0.269 290 P C 0.809 177.885 177.300 -0.373 0.000 1.215 290 P CA 0.562 63.409 63.100 -0.422 0.000 0.780 290 P CB 0.662 32.177 31.700 -0.309 0.000 0.898 291 A N 2.428 125.102 122.820 -0.244 0.000 1.958 291 A HA -0.239 4.080 4.320 -0.002 0.000 0.221 291 A C 1.995 179.464 177.584 -0.191 0.000 1.178 291 A CA 2.532 54.451 52.037 -0.197 0.000 0.642 291 A CB -1.764 17.156 19.000 -0.134 0.000 0.816 291 A HN 0.633 nan 8.150 nan 0.000 0.453 292 S N -1.864 113.736 115.700 -0.167 0.000 2.561 292 S HA 0.067 4.536 4.470 -0.002 0.000 0.225 292 S C 1.586 176.086 174.600 -0.167 0.000 0.977 292 S CA 1.102 59.224 58.200 -0.130 0.000 0.926 292 S CB -0.118 63.067 63.200 -0.025 0.000 0.769 292 S HN 0.421 nan 8.310 nan 0.000 0.533 293 M N 0.167 119.592 119.600 -0.291 0.000 2.657 293 M HA 0.340 4.819 4.480 -0.002 0.000 0.262 293 M C 1.371 177.372 176.300 -0.499 0.000 1.213 293 M CA 0.429 55.475 55.300 -0.424 0.000 1.182 293 M CB -1.095 31.081 32.600 -0.707 0.000 1.303 293 M HN 0.300 nan 8.290 nan 0.000 0.501 294 L N 0.985 121.928 121.223 -0.467 0.000 2.349 294 L HA -0.113 4.226 4.340 -0.002 0.000 0.220 294 L C 2.173 178.963 176.870 -0.133 0.000 1.130 294 L CA 1.365 56.030 54.840 -0.291 0.000 0.791 294 L CB -1.162 40.744 42.059 -0.255 0.000 0.918 294 L HN 0.227 nan 8.230 nan 0.000 0.444 295 I N -1.394 119.096 120.570 -0.134 0.000 2.142 295 I HA -0.169 4.000 4.170 -0.002 0.000 0.240 295 I C 1.524 177.612 176.117 -0.049 0.000 1.078 295 I CA 1.293 62.540 61.300 -0.088 0.000 1.343 295 I CB -0.484 37.454 38.000 -0.104 0.000 1.046 295 I HN 0.361 nan 8.210 nan 0.000 0.405 296 G N -0.941 107.841 108.800 -0.030 0.000 3.251 296 G HA2 0.280 4.239 3.960 -0.002 0.000 0.248 296 G HA3 0.280 4.239 3.960 -0.002 0.000 0.248 296 G C -1.353 173.579 174.900 0.054 0.000 1.320 296 G CA -0.420 44.678 45.100 -0.004 0.000 0.982 296 G HN -0.044 nan 8.290 nan 0.000 0.575 297 D N 0.428 120.824 120.400 -0.007 0.000 2.472 297 D HA 0.440 5.079 4.640 -0.002 0.000 0.237 297 D C 0.345 176.593 176.300 -0.087 0.000 1.141 297 D CA 0.954 54.903 54.000 -0.085 0.000 0.875 297 D CB 0.677 41.396 40.800 -0.134 0.000 1.192 297 D HN 0.625 nan 8.370 nan 0.000 0.450 298 H N -1.609 117.304 119.070 -0.262 0.000 2.918 298 H HA 0.621 5.176 4.556 -0.002 0.000 0.303 298 H C -1.550 173.581 175.328 -0.329 0.000 1.380 298 H CA -0.971 54.916 56.048 -0.268 0.000 1.134 298 H CB 0.526 30.270 29.762 -0.030 0.000 1.842 298 H HN 0.292 nan 8.280 nan 0.000 0.533 299 Y N -0.362 120.148 120.300 0.351 0.000 2.576 299 Y HA 0.368 4.917 4.550 -0.002 0.000 0.346 299 Y C -0.611 175.571 175.900 0.469 0.000 1.018 299 Y CA -1.305 57.012 58.100 0.361 0.000 1.050 299 Y CB 1.988 40.521 38.460 0.121 0.000 1.280 299 Y HN 0.547 nan 8.280 nan 0.000 0.474 300 L N 1.909 123.451 121.223 0.532 0.000 2.281 300 L HA 0.198 4.537 4.340 -0.002 0.000 0.285 300 L C -0.054 176.822 176.870 0.010 0.000 1.074 300 L CA 0.021 54.833 54.840 -0.047 0.000 0.817 300 L CB 0.889 42.869 42.059 -0.132 0.000 1.168 300 L HN 0.995 nan 8.230 nan 0.000 0.434 301 C N 2.970 122.147 119.300 -0.204 0.000 2.543 301 C HA 0.172 4.631 4.460 -0.002 0.000 0.289 301 C C 0.612 175.470 174.990 -0.219 0.000 1.368 301 C CA 0.114 58.996 59.018 -0.227 0.000 1.778 301 C CB -0.019 27.633 27.740 -0.147 0.000 2.155 301 C HN 0.898 nan 8.230 nan 0.000 0.529 302 D N -1.375 118.903 120.400 -0.203 0.000 2.859 302 D HA 0.540 5.179 4.640 -0.002 0.000 0.223 302 D C -1.531 174.540 176.300 -0.381 0.000 1.218 302 D CA -0.085 53.831 54.000 -0.139 0.000 0.850 302 D CB 1.784 42.486 40.800 -0.163 0.000 1.656 302 D HN -0.031 nan 8.370 nan 0.000 0.484 303 V N 2.416 122.058 119.914 -0.453 0.000 2.525 303 V HA 0.616 4.735 4.120 -0.002 0.000 0.299 303 V C -0.689 175.075 176.094 -0.551 0.000 1.034 303 V CA -0.562 61.235 62.300 -0.838 0.000 0.863 303 V CB 1.909 32.697 31.823 -1.724 0.000 0.999 303 V HN 0.733 nan 8.190 nan 0.000 0.423 304 T N 3.299 117.601 114.554 -0.421 0.000 3.066 304 T HA 0.296 4.645 4.350 -0.002 0.000 0.318 304 T C -0.724 173.887 174.700 -0.149 0.000 0.979 304 T CA -0.475 61.539 62.100 -0.144 0.000 1.025 304 T CB 0.526 69.387 68.868 -0.013 0.000 1.002 304 T HN 0.532 nan 8.240 nan 0.000 0.453 305 W N 2.297 123.555 121.300 -0.071 0.000 2.295 305 W HA 0.360 5.019 4.660 -0.002 0.000 0.335 305 W C 1.299 177.705 176.519 -0.188 0.000 1.351 305 W CA -0.145 57.153 57.345 -0.079 0.000 1.273 305 W CB 0.450 29.945 29.460 0.058 0.000 1.214 305 W HN 0.851 nan 8.180 nan 0.000 0.563 306 A N 2.473 125.190 122.820 -0.172 0.000 1.871 306 A HA 0.117 4.436 4.320 -0.002 0.000 0.211 306 A C 1.071 178.604 177.584 -0.085 0.000 1.207 306 A CA 1.660 53.346 52.037 -0.585 0.000 0.620 306 A CB -0.479 17.808 19.000 -1.189 0.000 0.860 306 A HN 0.548 nan 8.150 nan 0.000 0.450 307 T N -5.371 109.242 114.554 0.098 0.000 2.626 307 T HA 0.347 4.696 4.350 -0.002 0.000 0.279 307 T C 0.305 175.148 174.700 0.240 0.000 0.983 307 T CA -0.279 61.915 62.100 0.157 0.000 1.059 307 T CB 0.640 69.588 68.868 0.132 0.000 1.396 307 T HN 0.055 nan 8.240 nan 0.000 0.519 308 Q N 0.361 120.268 119.800 0.179 0.000 2.291 308 Q HA -0.002 4.337 4.340 -0.002 0.000 0.206 308 Q C 0.763 176.990 176.000 0.379 0.000 0.976 308 Q CA 1.403 57.309 55.803 0.172 0.000 0.875 308 Q CB -0.102 28.704 28.738 0.114 0.000 0.927 308 Q HN 0.829 nan 8.270 nan 0.000 0.450 309 E N -0.137 120.305 120.200 0.403 0.000 2.846 309 E HA 0.203 4.552 4.350 -0.002 0.000 0.211 309 E C -0.199 176.679 176.600 0.464 0.000 0.975 309 E CA -0.175 56.485 56.400 0.434 0.000 1.211 309 E CB 1.089 30.955 29.700 0.277 0.000 1.052 309 E HN -0.015 nan 8.360 nan 0.000 0.487 310 R N 1.884 122.687 120.500 0.505 0.000 2.538 310 R HA 0.472 4.811 4.340 -0.002 0.000 0.292 310 R C -1.331 175.062 176.300 0.156 0.000 1.008 310 R CA -0.398 55.891 56.100 0.316 0.000 0.896 310 R CB 1.023 31.384 30.300 0.100 0.000 1.187 310 R HN -0.018 nan 8.270 nan 0.000 0.440 311 I N 1.720 122.209 120.570 -0.134 0.000 2.603 311 I HA 0.405 4.574 4.170 -0.002 0.000 0.300 311 I C -0.120 175.735 176.117 -0.437 0.000 1.017 311 I CA -1.024 59.929 61.300 -0.579 0.000 1.098 311 I CB 2.074 39.386 38.000 -1.147 0.000 1.279 311 I HN 0.502 nan 8.210 nan 0.000 0.437 312 S N 6.544 121.969 115.700 -0.459 0.000 2.472 312 S HA 0.764 5.233 4.470 -0.002 0.000 0.303 312 S C -0.977 173.334 174.600 -0.481 0.000 1.099 312 S CA -0.583 57.416 58.200 -0.336 0.000 1.077 312 S CB 0.922 64.046 63.200 -0.128 0.000 1.031 312 S HN 0.573 nan 8.310 nan 0.000 0.487 313 L N 3.612 124.568 121.223 -0.446 0.000 2.410 313 L HA 0.534 4.873 4.340 -0.002 0.000 0.270 313 L C -0.375 176.219 176.870 -0.459 0.000 0.983 313 L CA -0.620 53.851 54.840 -0.614 0.000 0.822 313 L CB 2.236 43.874 42.059 -0.701 0.000 1.285 313 L HN 0.686 nan 8.230 nan 0.000 0.409 314 Q N 1.718 121.198 119.800 -0.534 0.000 2.309 314 Q HA 0.495 4.834 4.340 -0.002 0.000 0.264 314 Q C -1.730 174.014 176.000 -0.427 0.000 1.008 314 Q CA -0.560 55.043 55.803 -0.333 0.000 0.853 314 Q CB 2.642 31.246 28.738 -0.224 0.000 1.314 314 Q HN 0.411 nan 8.270 nan 0.000 0.448 315 W N 2.075 123.335 121.300 -0.067 0.000 2.882 315 W HA 0.682 5.341 4.660 -0.002 0.000 0.345 315 W C -0.992 175.562 176.519 0.059 0.000 1.125 315 W CA -0.508 56.847 57.345 0.017 0.000 1.167 315 W CB 1.329 30.779 29.460 -0.018 0.000 1.431 315 W HN 0.302 nan 8.180 nan 0.000 0.543 316 L N 2.265 123.732 121.223 0.407 0.000 2.464 316 L HA 0.523 4.862 4.340 -0.002 0.000 0.266 316 L C -0.039 177.032 176.870 0.334 0.000 0.965 316 L CA -1.140 53.892 54.840 0.321 0.000 0.833 316 L CB 1.930 44.170 42.059 0.302 0.000 1.296 316 L HN 0.484 nan 8.230 nan 0.000 0.405 317 R N 1.771 122.425 120.500 0.256 0.000 2.641 317 R HA 0.133 4.472 4.340 -0.002 0.000 0.269 317 R C 1.006 177.377 176.300 0.118 0.000 1.074 317 R CA -0.124 56.071 56.100 0.158 0.000 1.133 317 R CB 0.787 31.159 30.300 0.121 0.000 1.029 317 R HN 0.554 nan 8.270 nan 0.000 0.488 318 R N 1.683 122.159 120.500 -0.040 0.000 2.117 318 R HA -0.123 4.216 4.340 -0.002 0.000 0.243 318 R C 0.228 176.588 176.300 0.099 0.000 1.143 318 R CA 1.343 57.425 56.100 -0.030 0.000 0.968 318 R CB -0.095 30.132 30.300 -0.122 0.000 0.863 318 R HN 0.477 nan 8.270 nan 0.000 0.444 319 I N 2.218 122.826 120.570 0.064 0.000 2.329 319 I HA -0.004 4.165 4.170 -0.002 0.000 0.295 319 I C 0.238 176.417 176.117 0.102 0.000 1.109 319 I CA 0.381 61.721 61.300 0.066 0.000 1.297 319 I CB 1.356 39.378 38.000 0.037 0.000 1.433 319 I HN 0.153 nan 8.210 nan 0.000 0.509 320 Q N 5.011 124.868 119.800 0.096 0.000 2.414 320 Q HA 0.061 4.400 4.340 -0.002 0.000 0.286 320 Q C 0.391 176.465 176.000 0.123 0.000 0.941 320 Q CA -0.097 55.775 55.803 0.115 0.000 0.951 320 Q CB -0.321 28.447 28.738 0.050 0.000 1.188 320 Q HN 0.658 nan 8.270 nan 0.000 0.418 321 N N -0.619 118.160 118.700 0.131 0.000 2.204 321 N HA -0.017 4.722 4.740 -0.002 0.000 0.219 321 N C -1.045 174.569 175.510 0.172 0.000 1.151 321 N CA -0.203 52.918 53.050 0.118 0.000 0.867 321 N CB 0.330 38.865 38.487 0.080 0.000 1.043 321 N HN 0.196 nan 8.380 nan 0.000 0.516 322 Y N 1.080 121.407 120.300 0.044 0.000 2.362 322 Y HA 0.538 5.087 4.550 -0.002 0.000 0.326 322 Y C -1.171 174.763 175.900 0.058 0.000 1.083 322 Y CA -0.908 57.216 58.100 0.040 0.000 1.073 322 Y CB 1.502 39.977 38.460 0.026 0.000 1.211 322 Y HN 0.160 nan 8.280 nan 0.000 0.433 323 S N 4.055 119.648 115.700 -0.178 0.000 2.569 323 S HA 0.916 5.385 4.470 -0.002 0.000 0.280 323 S C -2.033 172.473 174.600 -0.156 0.000 1.111 323 S CA -0.766 57.402 58.200 -0.052 0.000 0.887 323 S CB 1.955 65.156 63.200 0.001 0.000 1.095 323 S HN 0.452 nan 8.310 nan 0.000 0.476 324 V N 2.775 122.693 119.914 0.006 0.000 2.577 324 V HA 0.504 4.623 4.120 -0.002 0.000 0.303 324 V C -0.551 175.583 176.094 0.066 0.000 1.042 324 V CA -0.592 61.716 62.300 0.013 0.000 0.872 324 V CB 1.773 33.627 31.823 0.053 0.000 0.998 324 V HN 1.030 nan 8.190 nan 0.000 0.423 325 M N 3.910 123.516 119.600 0.010 0.000 2.113 325 M HA 0.493 4.972 4.480 -0.002 0.000 0.352 325 M C -1.137 175.171 176.300 0.014 0.000 1.170 325 M CA -0.249 55.036 55.300 -0.025 0.000 1.053 325 M CB 0.915 33.449 32.600 -0.110 0.000 1.601 325 M HN 0.622 nan 8.290 nan 0.000 0.459 326 D N 4.920 125.323 120.400 0.006 0.000 2.192 326 D HA 0.496 5.135 4.640 -0.002 0.000 0.246 326 D C -1.185 175.085 176.300 -0.049 0.000 1.042 326 D CA -0.099 53.902 54.000 0.001 0.000 0.847 326 D CB 1.438 42.267 40.800 0.049 0.000 1.186 326 D HN 0.554 nan 8.370 nan 0.000 0.461 327 I N 2.930 123.492 120.570 -0.014 0.000 2.354 327 I HA 0.266 4.435 4.170 -0.002 0.000 0.286 327 I C -0.603 175.516 176.117 0.004 0.000 1.007 327 I CA -0.389 60.905 61.300 -0.009 0.000 1.167 327 I CB 1.084 39.125 38.000 0.069 0.000 1.320 327 I HN 0.240 nan 8.210 nan 0.000 0.458 328 c N 4.600 123.193 118.600 -0.010 0.000 2.351 328 c HA 0.505 5.074 4.570 -0.002 0.000 0.326 328 c C -0.232 174.000 174.090 0.237 0.000 1.272 328 c CA -0.815 55.565 56.329 0.085 0.000 1.650 328 c CB 0.768 43.295 42.510 0.027 0.000 2.257 328 c HN 0.603 nan 8.230 nan 0.000 0.505 329 D N 0.434 120.975 120.400 0.235 0.000 2.342 329 D HA 0.234 4.873 4.640 -0.002 0.000 0.243 329 D C -0.972 175.305 176.300 -0.037 0.000 1.019 329 D CA -0.212 53.890 54.000 0.170 0.000 0.864 329 D CB 1.855 42.691 40.800 0.060 0.000 1.315 329 D HN 0.606 nan 8.370 nan 0.000 0.468 330 Y N 1.674 121.603 120.300 -0.619 0.000 2.377 330 Y HA 0.080 4.629 4.550 -0.002 0.000 0.330 330 Y C 0.054 175.654 175.900 -0.500 0.000 1.108 330 Y CA -0.084 57.320 58.100 -1.160 0.000 1.308 330 Y CB 0.671 38.287 38.460 -1.406 0.000 1.216 330 Y HN 0.135 nan 8.280 nan 0.000 0.518 331 D N 6.061 125.830 120.400 -1.053 0.000 2.428 331 D HA 0.045 4.684 4.640 -0.002 0.000 0.221 331 D C 0.794 176.499 176.300 -0.990 0.000 1.123 331 D CA 0.018 53.576 54.000 -0.736 0.000 0.869 331 D CB 0.711 41.254 40.800 -0.428 0.000 1.032 331 D HN 0.944 nan 8.370 nan 0.000 0.506 332 E N 1.980 121.769 120.200 -0.685 0.000 2.130 332 E HA -0.237 4.112 4.350 -0.002 0.000 0.196 332 E C 1.562 178.026 176.600 -0.227 0.000 0.998 332 E CA 1.406 57.581 56.400 -0.374 0.000 0.806 332 E CB 0.374 30.028 29.700 -0.077 0.000 0.738 332 E HN 0.508 nan 8.360 nan 0.000 0.459 333 S N -0.173 115.405 115.700 -0.203 0.000 2.357 333 S HA -0.125 4.344 4.470 -0.002 0.000 0.221 333 S C 2.170 176.705 174.600 -0.108 0.000 1.031 333 S CA 1.404 59.535 58.200 -0.115 0.000 0.982 333 S CB -0.233 62.913 63.200 -0.089 0.000 0.853 333 S HN 0.291 nan 8.310 nan 0.000 0.458 334 S N 0.129 115.737 115.700 -0.154 0.000 2.486 334 S HA 0.424 4.893 4.470 -0.002 0.000 0.220 334 S C 1.663 176.211 174.600 -0.088 0.000 1.011 334 S CA 0.669 58.807 58.200 -0.103 0.000 0.921 334 S CB -0.531 62.613 63.200 -0.093 0.000 0.785 334 S HN 1.692 nan 8.310 nan 0.000 0.517 335 G N 1.446 110.132 108.800 -0.190 0.000 2.136 335 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.242 335 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.242 335 G C 0.139 175.048 174.900 0.016 0.000 0.989 335 G CA 0.122 45.198 45.100 -0.040 0.000 0.682 335 G HN 0.555 nan 8.290 nan 0.000 0.522 336 R N -1.764 118.623 120.500 -0.189 0.000 2.944 336 R HA 0.734 5.073 4.340 -0.002 0.000 0.233 336 R C -0.866 175.323 176.300 -0.185 0.000 1.346 336 R CA -0.690 55.393 56.100 -0.028 0.000 1.082 336 R CB 0.824 31.121 30.300 -0.005 0.000 1.434 336 R HN 0.161 nan 8.270 nan 0.000 0.510 337 W N 0.293 121.604 121.300 0.019 0.000 2.781 337 W HA 0.405 5.064 4.660 -0.002 0.000 0.333 337 W C -0.511 175.993 176.519 -0.025 0.000 1.047 337 W CA -0.507 56.841 57.345 0.007 0.000 1.236 337 W CB 1.314 30.778 29.460 0.008 0.000 1.394 337 W HN 0.221 nan 8.180 nan 0.000 0.466 338 N N 2.208 120.999 118.700 0.152 0.000 2.284 338 N HA 0.491 5.230 4.740 -0.002 0.000 0.300 338 N C -1.522 174.030 175.510 0.070 0.000 1.047 338 N CA -0.500 52.594 53.050 0.074 0.000 0.821 338 N CB 1.871 40.365 38.487 0.012 0.000 1.337 338 N HN 0.252 nan 8.380 nan 0.000 0.482 339 c N 2.614 121.235 118.600 0.035 0.000 2.294 339 c HA 0.395 4.964 4.570 -0.002 0.000 0.319 339 c C 0.184 174.269 174.090 -0.009 0.000 1.164 339 c CA -0.970 55.367 56.329 0.013 0.000 1.497 339 c CB -1.156 41.350 42.510 -0.006 0.000 2.061 339 c HN 0.492 nan 8.230 nan 0.000 0.438 340 L N 3.009 124.230 121.223 -0.004 0.000 2.410 340 L HA 0.131 4.470 4.340 -0.002 0.000 0.273 340 L C 1.473 178.325 176.870 -0.029 0.000 1.152 340 L CA 0.377 55.207 54.840 -0.017 0.000 0.855 340 L CB 0.728 42.781 42.059 -0.010 0.000 1.129 340 L HN 0.627 nan 8.230 nan 0.000 0.463 341 V N 2.950 122.840 119.914 -0.040 0.000 2.720 341 V HA -0.273 3.846 4.120 -0.002 0.000 0.256 341 V C 2.230 178.285 176.094 -0.065 0.000 1.082 341 V CA 1.562 63.830 62.300 -0.053 0.000 1.101 341 V CB -1.316 30.477 31.823 -0.051 0.000 0.693 341 V HN 0.971 nan 8.190 nan 0.000 0.479 342 A N 1.678 124.466 122.820 -0.053 0.000 1.978 342 A HA -0.187 4.132 4.320 -0.002 0.000 0.220 342 A C 2.259 179.789 177.584 -0.090 0.000 1.170 342 A CA 1.722 53.722 52.037 -0.061 0.000 0.636 342 A CB -0.326 18.653 19.000 -0.035 0.000 0.810 342 A HN 0.641 nan 8.150 nan 0.000 0.448 343 R N 0.015 120.475 120.500 -0.067 0.000 2.334 343 R HA 0.156 4.495 4.340 -0.002 0.000 0.216 343 R C -0.167 176.058 176.300 -0.125 0.000 0.905 343 R CA -0.137 55.925 56.100 -0.062 0.000 1.064 343 R CB -0.486 29.849 30.300 0.059 0.000 1.046 343 R HN 0.563 nan 8.270 nan 0.000 0.508 344 Q N 1.693 121.408 119.800 -0.143 0.000 2.300 344 Q HA 0.064 4.403 4.340 -0.002 0.000 0.280 344 Q C -0.894 174.943 176.000 -0.271 0.000 1.033 344 Q CA 0.708 56.438 55.803 -0.122 0.000 0.903 344 Q CB 0.566 29.255 28.738 -0.082 0.000 1.195 344 Q HN 0.300 nan 8.270 nan 0.000 0.386 345 H N 1.079 120.138 119.070 -0.018 0.000 2.524 345 H HA 0.460 5.015 4.556 -0.002 0.000 0.353 345 H C -0.698 174.584 175.328 -0.076 0.000 1.136 345 H CA -0.585 55.449 56.048 -0.023 0.000 1.193 345 H CB 1.259 31.003 29.762 -0.030 0.000 1.558 345 H HN 0.447 nan 8.280 nan 0.000 0.515 346 I N 1.759 122.346 120.570 0.028 0.000 2.377 346 I HA 0.210 4.379 4.170 -0.002 0.000 0.293 346 I C -0.111 175.943 176.117 -0.104 0.000 0.987 346 I CA -0.268 60.949 61.300 -0.139 0.000 1.185 346 I CB 1.415 39.289 38.000 -0.210 0.000 1.341 346 I HN 0.532 nan 8.210 nan 0.000 0.455 347 E N 8.229 128.322 120.200 -0.178 0.000 2.145 347 E HA 0.534 4.883 4.350 -0.002 0.000 0.262 347 E C -1.040 175.458 176.600 -0.171 0.000 0.883 347 E CA -0.671 55.664 56.400 -0.107 0.000 0.748 347 E CB 1.270 30.934 29.700 -0.060 0.000 1.140 347 E HN 0.610 nan 8.360 nan 0.000 0.417 348 M N 1.347 120.882 119.600 -0.108 0.000 2.727 348 M HA 0.646 5.125 4.480 -0.002 0.000 0.300 348 M C -1.115 175.183 176.300 -0.003 0.000 1.246 348 M CA -0.840 54.426 55.300 -0.057 0.000 0.835 348 M CB 2.367 34.956 32.600 -0.018 0.000 1.755 348 M HN 0.240 nan 8.290 nan 0.000 0.473 349 S N -0.519 115.189 115.700 0.013 0.000 2.571 349 S HA 0.449 4.918 4.470 -0.002 0.000 0.284 349 S C -0.038 174.553 174.600 -0.015 0.000 1.128 349 S CA -0.464 57.727 58.200 -0.016 0.000 0.970 349 S CB 2.092 65.251 63.200 -0.069 0.000 1.039 349 S HN 0.836 nan 8.310 nan 0.000 0.485 350 T N 2.397 116.942 114.554 -0.015 0.000 2.937 350 T HA -0.008 4.341 4.350 -0.002 0.000 0.260 350 T C 1.896 176.573 174.700 -0.039 0.000 1.051 350 T CA 1.738 63.831 62.100 -0.012 0.000 1.141 350 T CB -0.213 68.655 68.868 -0.001 0.000 0.879 350 T HN 0.845 nan 8.240 nan 0.000 0.459 351 T N -1.544 112.974 114.554 -0.060 0.000 3.057 351 T HA 0.499 4.848 4.350 -0.002 0.000 0.254 351 T C 1.083 175.618 174.700 -0.274 0.000 1.094 351 T CA 0.547 62.603 62.100 -0.073 0.000 1.088 351 T CB 0.442 69.329 68.868 0.031 0.000 0.934 351 T HN 0.400 nan 8.240 nan 0.000 0.497 352 G N 0.355 108.849 108.800 -0.509 0.000 2.795 352 G HA2 0.479 4.438 3.960 -0.002 0.000 0.127 352 G HA3 0.479 4.438 3.960 -0.002 0.000 0.127 352 G C -1.628 173.031 174.900 -0.402 0.000 1.203 352 G CA -0.527 44.066 45.100 -0.846 0.000 1.145 352 G HN 0.504 nan 8.290 nan 0.000 0.580 353 W N -0.248 120.771 121.300 -0.469 0.000 2.492 353 W HA 0.799 5.458 4.660 -0.001 0.000 0.373 353 W C -0.575 175.891 176.519 -0.088 0.000 1.323 353 W CA -1.355 55.864 57.345 -0.211 0.000 1.406 353 W CB 0.856 30.178 29.460 -0.230 0.000 1.398 353 W HN 0.281 nan 8.180 nan 0.000 0.671 354 V N 2.852 122.867 119.914 0.169 0.000 2.394 354 V HA 0.719 4.838 4.120 -0.002 0.000 0.282 354 V C 0.732 176.915 176.094 0.148 0.000 1.031 354 V CA 0.436 62.784 62.300 0.080 0.000 0.881 354 V CB 0.085 31.942 31.823 0.057 0.000 0.982 354 V HN 1.297 nan 8.190 nan 0.000 0.451 355 G N 5.396 114.236 108.800 0.066 0.000 2.796 355 G HA2 -0.182 3.777 3.960 -0.002 0.000 0.571 355 G HA3 -0.182 3.777 3.960 -0.002 0.000 0.571 355 G C 0.310 175.291 174.900 0.135 0.000 1.370 355 G CA 0.219 45.376 45.100 0.096 0.000 0.856 355 G HN 0.621 nan 8.290 nan 0.000 0.538 356 R N -1.045 119.525 120.500 0.117 0.000 2.055 356 R HA 0.226 4.565 4.340 -0.002 0.000 0.226 356 R C 2.075 178.305 176.300 -0.117 0.000 1.135 356 R CA 2.000 58.108 56.100 0.013 0.000 0.959 356 R CB -0.083 30.214 30.300 -0.005 0.000 0.854 356 R HN 0.450 nan 8.270 nan 0.000 0.431 357 F N -0.499 119.589 119.950 0.229 0.000 2.789 357 F HA 0.276 4.802 4.527 -0.002 0.000 0.320 357 F C 0.564 176.385 175.800 0.035 0.000 1.079 357 F CA -0.412 57.666 58.000 0.129 0.000 1.205 357 F CB 0.714 39.788 39.000 0.124 0.000 1.046 357 F HN -0.100 nan 8.300 nan 0.000 0.586 358 R N -0.799 119.825 120.500 0.206 0.000 2.728 358 R HA 0.403 4.742 4.340 -0.002 0.000 0.274 358 R C -3.404 172.950 176.300 0.090 0.000 1.032 358 R CA -1.850 54.302 56.100 0.086 0.000 0.866 358 R CB 0.378 30.683 30.300 0.009 0.000 1.263 358 R HN -0.337 nan 8.270 nan 0.000 0.475 359 P HA -0.033 nan 4.420 nan 0.000 0.264 359 P C -0.202 177.114 177.300 0.027 0.000 1.183 359 P CA 0.217 63.333 63.100 0.026 0.000 0.763 359 P CB 0.674 32.365 31.700 -0.014 0.000 0.807 360 S N 1.798 117.524 115.700 0.044 0.000 2.579 360 S HA 0.066 4.535 4.470 -0.002 0.000 0.275 360 S C 0.165 174.775 174.600 0.016 0.000 1.345 360 S CA -0.754 57.487 58.200 0.069 0.000 1.031 360 S CB 0.442 63.706 63.200 0.107 0.000 0.892 360 S HN 0.591 nan 8.310 nan 0.000 0.529 361 E N 2.544 122.768 120.200 0.039 0.000 2.354 361 E HA 0.263 4.612 4.350 -0.002 0.000 0.269 361 E C -2.483 174.063 176.600 -0.089 0.000 1.036 361 E CA -1.956 54.415 56.400 -0.048 0.000 0.876 361 E CB 0.437 30.118 29.700 -0.032 0.000 1.009 361 E HN 0.453 nan 8.360 nan 0.000 0.416 362 P HA 0.193 nan 4.420 nan 0.000 0.282 362 P C -1.342 175.776 177.300 -0.303 0.000 1.249 362 P CA -0.303 62.616 63.100 -0.302 0.000 0.806 362 P CB 0.576 31.780 31.700 -0.827 0.000 0.984 363 H N 1.265 120.348 119.070 0.021 0.000 2.685 363 H HA 0.408 4.963 4.556 -0.002 0.000 0.307 363 H C -0.377 175.073 175.328 0.203 0.000 1.017 363 H CA -0.230 55.917 56.048 0.165 0.000 1.237 363 H CB -0.007 29.881 29.762 0.211 0.000 1.409 363 H HN 0.230 nan 8.280 nan 0.000 0.488 364 F N 1.370 121.522 119.950 0.336 0.000 2.389 364 F HA 0.186 4.712 4.527 -0.002 0.000 0.337 364 F C 1.324 177.328 175.800 0.340 0.000 1.112 364 F CA -0.623 57.579 58.000 0.336 0.000 1.192 364 F CB 1.018 40.149 39.000 0.219 0.000 1.185 364 F HN 0.418 nan 8.300 nan 0.000 0.552 365 T N 1.117 115.992 114.554 0.534 0.000 2.898 365 T HA 0.131 4.480 4.350 -0.002 0.000 0.301 365 T C 1.323 176.227 174.700 0.340 0.000 1.049 365 T CA -0.699 61.645 62.100 0.407 0.000 1.095 365 T CB 0.730 69.820 68.868 0.370 0.000 0.976 365 T HN 0.710 nan 8.240 nan 0.000 0.539 366 L N 1.229 122.604 121.223 0.253 0.000 2.089 366 L HA -0.169 4.170 4.340 -0.002 0.000 0.213 366 L C 2.332 179.311 176.870 0.181 0.000 1.079 366 L CA 2.434 57.394 54.840 0.200 0.000 0.758 366 L CB -0.541 41.611 42.059 0.156 0.000 0.891 366 L HN 0.962 nan 8.230 nan 0.000 0.433 367 D N -1.426 119.083 120.400 0.182 0.000 2.347 367 D HA -0.026 4.613 4.640 -0.002 0.000 0.215 367 D C 1.491 177.891 176.300 0.168 0.000 0.976 367 D CA 0.878 54.972 54.000 0.156 0.000 0.884 367 D CB -0.199 40.686 40.800 0.141 0.000 0.915 367 D HN 0.356 nan 8.370 nan 0.000 0.526 368 G N 0.286 109.221 108.800 0.225 0.000 2.184 368 G HA2 -0.342 3.617 3.960 -0.002 0.000 0.264 368 G HA3 -0.342 3.617 3.960 -0.002 0.000 0.264 368 G C 0.935 176.005 174.900 0.282 0.000 0.975 368 G CA 0.368 45.594 45.100 0.210 0.000 0.642 368 G HN 0.369 nan 8.290 nan 0.000 0.536 369 N N 0.334 119.194 118.700 0.266 0.000 2.353 369 N HA 0.205 4.944 4.740 -0.002 0.000 0.185 369 N C 0.878 176.529 175.510 0.234 0.000 1.098 369 N CA 1.156 54.341 53.050 0.225 0.000 0.872 369 N CB 0.495 39.072 38.487 0.150 0.000 0.970 369 N HN 0.975 nan 8.380 nan 0.000 0.467 370 S N -0.469 115.414 115.700 0.306 0.000 2.596 370 S HA 0.751 5.220 4.470 -0.002 0.000 0.270 370 S C -0.972 173.745 174.600 0.195 0.000 1.155 370 S CA -1.017 57.246 58.200 0.105 0.000 0.827 370 S CB 1.625 64.788 63.200 -0.062 0.000 1.130 370 S HN 0.125 nan 8.310 nan 0.000 0.467 371 F N -1.718 118.070 119.950 -0.269 0.000 2.711 371 F HA 0.863 5.389 4.527 -0.001 0.000 0.313 371 F C -2.126 173.462 175.800 -0.353 0.000 1.141 371 F CA -1.517 56.251 58.000 -0.387 0.000 0.941 371 F CB 0.654 39.031 39.000 -1.038 0.000 1.349 371 F HN 0.611 nan 8.300 nan 0.000 0.464 372 Y N 0.752 121.189 120.300 0.230 0.000 2.485 372 Y HA 0.723 5.272 4.550 -0.002 0.000 0.345 372 Y C -0.397 175.672 175.900 0.282 0.000 0.998 372 Y CA -0.998 57.230 58.100 0.215 0.000 1.059 372 Y CB 2.388 40.935 38.460 0.146 0.000 1.234 372 Y HN 0.716 nan 8.280 nan 0.000 0.461 373 K N 2.302 122.939 120.400 0.396 0.000 2.557 373 K HA 0.520 4.839 4.320 -0.002 0.000 0.257 373 K C -1.799 174.946 176.600 0.242 0.000 0.933 373 K CA -0.525 55.947 56.287 0.308 0.000 0.820 373 K CB 1.597 34.245 32.500 0.247 0.000 1.330 373 K HN 0.676 nan 8.250 nan 0.000 0.432 374 I N 5.051 125.737 120.570 0.193 0.000 2.471 374 I HA 0.219 4.388 4.170 -0.002 0.000 0.286 374 I C -0.170 176.037 176.117 0.151 0.000 1.079 374 I CA -0.247 61.145 61.300 0.153 0.000 1.398 374 I CB 0.477 38.553 38.000 0.126 0.000 1.403 374 I HN 0.343 nan 8.210 nan 0.000 0.530 375 I N 4.634 125.316 120.570 0.187 0.000 2.769 375 I HA 0.174 4.343 4.170 -0.002 0.000 0.298 375 I C 0.022 176.265 176.117 0.209 0.000 1.128 375 I CA -0.628 60.793 61.300 0.202 0.000 1.031 375 I CB 2.071 40.216 38.000 0.242 0.000 1.235 375 I HN 0.413 nan 8.210 nan 0.000 0.423 376 S N 5.427 121.188 115.700 0.101 0.000 2.510 376 S HA 0.216 4.685 4.470 -0.002 0.000 0.279 376 S C 0.325 174.958 174.600 0.056 0.000 1.284 376 S CA -0.397 57.805 58.200 0.004 0.000 1.059 376 S CB -0.139 63.010 63.200 -0.084 0.000 0.901 376 S HN 0.774 nan 8.310 nan 0.000 0.491 377 N N 3.026 121.657 118.700 -0.115 0.000 2.374 377 N HA 0.152 4.891 4.740 -0.002 0.000 0.284 377 N C 1.153 176.554 175.510 -0.182 0.000 1.280 377 N CA -0.364 52.469 53.050 -0.362 0.000 0.963 377 N CB 0.203 38.086 38.487 -1.007 0.000 1.141 377 N HN 0.797 nan 8.380 nan 0.000 0.565 378 E N -0.244 119.832 120.200 -0.207 0.000 2.153 378 E HA -0.235 4.114 4.350 -0.002 0.000 0.194 378 E C 0.760 177.306 176.600 -0.090 0.000 0.988 378 E CA 1.448 57.786 56.400 -0.103 0.000 0.811 378 E CB -0.299 29.347 29.700 -0.091 0.000 0.746 378 E HN 0.671 nan 8.360 nan 0.000 0.466 379 E N -0.033 120.111 120.200 -0.093 0.000 2.479 379 E HA 0.173 4.522 4.350 -0.002 0.000 0.193 379 E C 0.789 177.366 176.600 -0.039 0.000 1.049 379 E CA 0.382 56.772 56.400 -0.017 0.000 0.870 379 E CB 0.814 30.544 29.700 0.051 0.000 0.944 379 E HN 0.485 nan 8.360 nan 0.000 0.492 380 G N 0.447 109.168 108.800 -0.131 0.000 2.132 380 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.234 380 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.234 380 G C -0.457 174.157 174.900 -0.477 0.000 0.989 380 G CA -0.234 44.691 45.100 -0.292 0.000 0.676 380 G HN 0.245 nan 8.290 nan 0.000 0.522 381 Y N -0.024 120.146 120.300 -0.216 0.000 2.361 381 Y HA 0.651 5.200 4.550 -0.002 0.000 0.332 381 Y C 1.167 176.886 175.900 -0.302 0.000 1.101 381 Y CA -0.878 57.067 58.100 -0.258 0.000 1.137 381 Y CB 1.034 39.355 38.460 -0.231 0.000 1.207 381 Y HN 0.069 nan 8.280 nan 0.000 0.463 382 R N 3.569 123.905 120.500 -0.273 0.000 2.216 382 R HA 0.297 4.636 4.340 -0.002 0.000 0.332 382 R C -0.883 175.120 176.300 -0.496 0.000 1.056 382 R CA -0.172 55.779 56.100 -0.248 0.000 0.901 382 R CB 0.125 30.339 30.300 -0.143 0.000 1.039 382 R HN 0.667 nan 8.270 nan 0.000 0.456 383 H N 1.917 120.972 119.070 -0.026 0.000 2.946 383 H HA 0.316 4.871 4.556 -0.001 0.000 0.365 383 H C -0.083 175.310 175.328 0.108 0.000 1.197 383 H CA -0.951 55.064 56.048 -0.056 0.000 1.131 383 H CB 1.650 31.288 29.762 -0.207 0.000 1.849 383 H HN 0.332 nan 8.280 nan 0.000 0.555 384 I N 1.407 122.058 120.570 0.136 0.000 2.452 384 I HA -0.003 4.166 4.170 -0.002 0.000 0.287 384 I C 0.533 176.675 176.117 0.042 0.000 1.079 384 I CA 0.258 61.600 61.300 0.070 0.000 1.387 384 I CB 0.167 38.123 38.000 -0.073 0.000 1.404 384 I HN 0.153 nan 8.210 nan 0.000 0.522 385 c N 7.041 125.601 118.600 -0.067 0.000 2.366 385 c HA 0.424 4.993 4.570 -0.002 0.000 0.345 385 c C -0.300 173.608 174.090 -0.304 0.000 1.209 385 c CA -0.412 55.635 56.329 -0.470 0.000 2.050 385 c CB 0.981 42.955 42.510 -0.893 0.000 2.359 385 c HN 0.634 nan 8.230 nan 0.000 0.527 386 Y N 3.600 123.502 120.300 -0.663 0.000 2.331 386 Y HA 0.666 5.215 4.550 -0.002 0.000 0.338 386 Y C -1.190 174.170 175.900 -0.899 0.000 0.992 386 Y CA -1.144 56.538 58.100 -0.697 0.000 1.121 386 Y CB 0.393 38.556 38.460 -0.495 0.000 1.184 386 Y HN 0.602 nan 8.280 nan 0.000 0.469 387 F N 4.542 123.700 119.950 -1.320 0.000 2.467 387 F HA 0.486 5.012 4.527 -0.001 0.000 0.336 387 F C -0.198 174.815 175.800 -1.312 0.000 1.123 387 F CA -0.654 56.524 58.000 -1.371 0.000 0.964 387 F CB 1.810 39.568 39.000 -2.070 0.000 1.136 387 F HN 0.389 nan 8.300 nan 0.000 0.447 388 Q N 3.031 122.413 119.800 -0.696 0.000 2.256 388 Q HA 0.405 4.744 4.340 -0.002 0.000 0.257 388 Q C 0.897 176.846 176.000 -0.085 0.000 0.936 388 Q CA -0.595 54.972 55.803 -0.394 0.000 0.903 388 Q CB 2.641 31.189 28.738 -0.317 0.000 1.263 388 Q HN 0.758 nan 8.270 nan 0.000 0.440 389 I N 1.059 121.660 120.570 0.051 0.000 2.315 389 I HA -0.241 3.928 4.170 -0.002 0.000 0.248 389 I C 0.805 177.022 176.117 0.167 0.000 1.117 389 I CA 1.294 62.727 61.300 0.223 0.000 1.404 389 I CB 0.268 38.437 38.000 0.282 0.000 1.071 389 I HN 0.663 nan 8.210 nan 0.000 0.419 390 D N 0.585 121.031 120.400 0.078 0.000 2.340 390 D HA 0.063 4.702 4.640 -0.002 0.000 0.217 390 D C 0.098 176.401 176.300 0.006 0.000 1.081 390 D CA 0.327 54.346 54.000 0.032 0.000 0.842 390 D CB 0.382 41.195 40.800 0.022 0.000 0.934 390 D HN 0.174 nan 8.370 nan 0.000 0.511 391 K N 1.574 121.985 120.400 0.017 0.000 2.164 391 K HA 0.258 4.577 4.320 -0.002 0.000 0.258 391 K C 0.569 177.179 176.600 0.016 0.000 0.951 391 K CA -0.613 55.668 56.287 -0.009 0.000 0.844 391 K CB 2.278 34.748 32.500 -0.049 0.000 1.099 391 K HN 0.026 nan 8.250 nan 0.000 0.435 392 K N 1.309 121.701 120.400 -0.013 0.000 2.230 392 K HA 0.086 4.405 4.320 -0.002 0.000 0.253 392 K C -0.459 176.126 176.600 -0.025 0.000 1.008 392 K CA -0.306 55.978 56.287 -0.005 0.000 0.910 392 K CB 0.235 32.722 32.500 -0.022 0.000 0.994 392 K HN 0.556 nan 8.250 nan 0.000 0.495 393 D N -1.563 118.828 120.400 -0.015 0.000 4.136 393 D HA -0.228 4.411 4.640 -0.002 0.000 0.291 393 D C -0.321 175.783 176.300 -0.326 0.000 2.238 393 D CA 1.042 54.971 54.000 -0.118 0.000 1.141 393 D CB -1.051 39.671 40.800 -0.129 0.000 1.027 393 D HN 1.108 nan 8.370 nan 0.000 1.223 394 c N -3.255 115.012 118.600 -0.556 0.000 3.321 394 c HA 0.767 5.336 4.570 -0.002 0.000 0.329 394 c C -0.626 173.053 174.090 -0.685 0.000 1.394 394 c CA -0.573 55.188 56.329 -0.948 0.000 1.291 394 c CB 1.686 42.985 42.510 -2.018 0.000 1.606 394 c HN 0.659 nan 8.230 nan 0.000 0.463 395 T N 1.870 116.063 114.554 -0.602 0.000 2.772 395 T HA 0.514 4.863 4.350 -0.002 0.000 0.288 395 T C -0.654 173.809 174.700 -0.395 0.000 0.994 395 T CA 0.113 62.018 62.100 -0.325 0.000 0.951 395 T CB 0.257 69.096 68.868 -0.047 0.000 0.933 395 T HN 0.452 nan 8.240 nan 0.000 0.447 396 F N 3.655 123.478 119.950 -0.212 0.000 2.541 396 F HA 0.174 4.700 4.527 -0.002 0.000 0.378 396 F C 1.715 177.351 175.800 -0.272 0.000 1.068 396 F CA -0.831 57.036 58.000 -0.222 0.000 1.199 396 F CB 0.143 39.022 39.000 -0.202 0.000 1.091 396 F HN 0.587 nan 8.300 nan 0.000 0.555 397 I N -0.452 119.994 120.570 -0.207 0.000 3.783 397 I HA 0.164 4.333 4.170 -0.002 0.000 0.310 397 I C 0.415 176.388 176.117 -0.241 0.000 1.274 397 I CA 0.192 61.209 61.300 -0.472 0.000 1.294 397 I CB -0.054 37.369 38.000 -0.962 0.000 1.051 397 I HN 0.478 nan 8.210 nan 0.000 0.435 398 T N 0.430 114.876 114.554 -0.179 0.000 2.907 398 T HA 0.716 5.065 4.350 -0.002 0.000 0.292 398 T C -0.602 173.740 174.700 -0.598 0.000 1.043 398 T CA -0.702 61.258 62.100 -0.233 0.000 1.003 398 T CB 2.672 71.454 68.868 -0.143 0.000 1.084 398 T HN 0.508 nan 8.240 nan 0.000 0.483 399 K N -0.113 119.775 120.400 -0.854 0.000 2.533 399 K HA 0.862 5.181 4.320 -0.002 0.000 0.284 399 K C -0.320 175.578 176.600 -1.171 0.000 1.025 399 K CA -0.957 54.535 56.287 -1.326 0.000 0.900 399 K CB 1.332 33.428 32.500 -0.674 0.000 1.519 399 K HN 1.510 nan 8.250 nan 0.000 0.432 400 G N -0.420 107.778 108.800 -1.005 0.000 2.355 400 G HA2 0.033 3.992 3.960 -0.002 0.000 0.619 400 G HA3 0.033 3.992 3.960 -0.002 0.000 0.619 400 G C -1.013 173.341 174.900 -0.911 0.000 1.337 400 G CA -0.649 44.007 45.100 -0.739 0.000 0.993 400 G HN 0.493 nan 8.290 nan 0.000 0.599 401 T N 2.519 116.673 114.554 -0.666 0.000 4.058 401 T HA 0.496 4.845 4.350 -0.002 0.000 0.252 401 T C -0.035 174.443 174.700 -0.370 0.000 1.264 401 T CA 0.830 62.369 62.100 -0.935 0.000 1.094 401 T CB -1.160 67.397 68.868 -0.518 0.000 1.316 401 T HN 0.778 nan 8.240 nan 0.000 0.872 402 W N -0.214 120.924 121.300 -0.270 0.000 2.881 402 W HA 0.557 5.216 4.660 -0.002 0.000 0.380 402 W C -1.573 174.946 176.519 -0.001 0.000 1.170 402 W CA -0.972 56.364 57.345 -0.015 0.000 1.171 402 W CB 0.833 30.277 29.460 -0.028 0.000 1.464 402 W HN -0.036 nan 8.180 nan 0.000 0.574 403 E N 1.030 121.464 120.200 0.389 0.000 2.293 403 E HA 0.407 4.756 4.350 -0.002 0.000 0.270 403 E C -1.054 175.717 176.600 0.286 0.000 0.879 403 E CA -1.109 55.327 56.400 0.061 0.000 0.756 403 E CB 3.460 33.215 29.700 0.091 0.000 1.208 403 E HN 0.178 nan 8.360 nan 0.000 0.428 404 V N 4.430 124.399 119.914 0.091 0.000 2.521 404 V HA -0.022 4.097 4.120 -0.002 0.000 0.286 404 V C 1.327 177.539 176.094 0.197 0.000 1.034 404 V CA 0.122 62.561 62.300 0.231 0.000 1.045 404 V CB 0.401 32.270 31.823 0.075 0.000 0.974 404 V HN 0.711 nan 8.190 nan 0.000 0.480 405 I N 3.296 124.002 120.570 0.227 0.000 2.400 405 I HA 0.220 4.389 4.170 -0.002 0.000 0.248 405 I C 1.139 177.377 176.117 0.202 0.000 1.109 405 I CA 1.241 62.658 61.300 0.195 0.000 1.425 405 I CB -0.781 37.267 38.000 0.079 0.000 1.094 405 I HN 0.746 nan 8.210 nan 0.000 0.425 406 G N 0.533 109.454 108.800 0.202 0.000 2.703 406 G HA2 0.583 4.542 3.960 -0.002 0.000 0.294 406 G HA3 0.583 4.542 3.960 -0.002 0.000 0.294 406 G C -1.300 173.699 174.900 0.164 0.000 1.451 406 G CA -0.503 44.708 45.100 0.185 0.000 0.869 406 G HN -0.044 nan 8.290 nan 0.000 0.516 407 I N 1.251 121.845 120.570 0.040 0.000 2.365 407 I HA 0.300 4.469 4.170 -0.002 0.000 0.291 407 I C 0.637 176.672 176.117 -0.137 0.000 1.004 407 I CA -0.506 60.716 61.300 -0.129 0.000 1.311 407 I CB 1.835 39.534 38.000 -0.502 0.000 1.401 407 I HN 0.489 nan 8.210 nan 0.000 0.491 408 E N 4.758 124.947 120.200 -0.018 0.000 2.434 408 E HA 0.394 4.743 4.350 -0.002 0.000 0.207 408 E C -0.078 176.477 176.600 -0.075 0.000 0.929 408 E CA 0.101 56.542 56.400 0.070 0.000 1.001 408 E CB 1.217 31.053 29.700 0.227 0.000 1.016 408 E HN 0.655 nan 8.360 nan 0.000 0.502 409 A N 0.819 123.510 122.820 -0.215 0.000 2.594 409 A HA 0.566 4.885 4.320 -0.002 0.000 0.296 409 A C -1.825 175.702 177.584 -0.094 0.000 1.056 409 A CA -0.602 51.239 52.037 -0.326 0.000 0.693 409 A CB 1.112 19.408 19.000 -1.173 0.000 1.278 409 A HN 0.066 nan 8.150 nan 0.000 0.408 410 L N 2.640 123.846 121.223 -0.028 0.000 2.409 410 L HA 0.780 5.119 4.340 -0.002 0.000 0.272 410 L C 0.062 176.969 176.870 0.062 0.000 0.980 410 L CA -0.087 54.760 54.840 0.011 0.000 0.826 410 L CB 2.109 44.214 42.059 0.077 0.000 1.268 410 L HN 1.177 nan 8.230 nan 0.000 0.407 411 T N -0.887 113.711 114.554 0.073 0.000 2.883 411 T HA 0.306 4.655 4.350 -0.002 0.000 0.284 411 T C 1.174 175.914 174.700 0.066 0.000 1.041 411 T CA 0.075 62.233 62.100 0.097 0.000 1.007 411 T CB 1.509 70.474 68.868 0.161 0.000 1.220 411 T HN 0.586 nan 8.240 nan 0.000 0.552 412 S N -0.126 115.611 115.700 0.063 0.000 2.399 412 S HA -0.095 4.374 4.470 -0.002 0.000 0.231 412 S C 0.986 175.561 174.600 -0.041 0.000 1.022 412 S CA 1.149 59.370 58.200 0.034 0.000 0.983 412 S CB -0.565 62.657 63.200 0.037 0.000 0.803 412 S HN 0.729 nan 8.310 nan 0.000 0.480 413 D N -0.490 119.858 120.400 -0.086 0.000 2.380 413 D HA 0.262 4.901 4.640 -0.002 0.000 0.212 413 D C -0.511 175.437 176.300 -0.586 0.000 1.021 413 D CA 0.546 54.347 54.000 -0.331 0.000 0.884 413 D CB 0.255 40.832 40.800 -0.371 0.000 1.001 413 D HN 0.460 nan 8.370 nan 0.000 0.506 414 Y N -0.204 120.013 120.300 -0.139 0.000 2.504 414 Y HA 0.431 4.980 4.550 -0.002 0.000 0.344 414 Y C -0.635 175.028 175.900 -0.396 0.000 1.023 414 Y CA -1.015 56.899 58.100 -0.310 0.000 1.020 414 Y CB 2.421 40.580 38.460 -0.502 0.000 1.282 414 Y HN -0.283 nan 8.280 nan 0.000 0.454 415 L N 3.323 124.382 121.223 -0.274 0.000 2.307 415 L HA 0.593 4.932 4.340 -0.002 0.000 0.284 415 L C -1.728 174.932 176.870 -0.349 0.000 1.023 415 L CA -0.583 54.067 54.840 -0.317 0.000 0.810 415 L CB 0.752 42.577 42.059 -0.390 0.000 1.231 415 L HN 0.614 nan 8.230 nan 0.000 0.423 416 Y N 4.949 125.176 120.300 -0.121 0.000 2.331 416 Y HA 0.508 5.057 4.550 -0.001 0.000 0.338 416 Y C -0.480 175.429 175.900 0.015 0.000 0.992 416 Y CA -0.432 57.599 58.100 -0.116 0.000 1.121 416 Y CB 1.217 39.484 38.460 -0.321 0.000 1.184 416 Y HN 0.526 nan 8.280 nan 0.000 0.469 417 Y N 0.310 120.668 120.300 0.097 0.000 2.615 417 Y HA 0.835 5.384 4.550 -0.002 0.000 0.341 417 Y C -1.668 174.321 175.900 0.149 0.000 1.089 417 Y CA -2.137 56.016 58.100 0.087 0.000 1.049 417 Y CB 1.231 39.724 38.460 0.054 0.000 1.296 417 Y HN 0.406 nan 8.280 nan 0.000 0.470 418 I N 3.043 123.757 120.570 0.239 0.000 2.404 418 I HA 0.580 4.749 4.170 -0.002 0.000 0.293 418 I C -0.368 175.919 176.117 0.284 0.000 0.992 418 I CA -0.532 60.858 61.300 0.151 0.000 1.149 418 I CB 1.916 39.964 38.000 0.079 0.000 1.315 418 I HN 0.856 nan 8.210 nan 0.000 0.446 419 S N 3.890 119.732 115.700 0.238 0.000 2.661 419 S HA 0.393 4.862 4.470 -0.002 0.000 0.285 419 S C -0.249 174.399 174.600 0.081 0.000 1.138 419 S CA -0.943 57.382 58.200 0.210 0.000 0.855 419 S CB 1.703 65.005 63.200 0.170 0.000 1.136 419 S HN 0.772 nan 8.310 nan 0.000 0.484 420 N N -0.626 118.115 118.700 0.067 0.000 2.320 420 N HA 0.119 4.858 4.740 -0.002 0.000 0.237 420 N C 0.823 176.290 175.510 -0.071 0.000 1.129 420 N CA -0.294 52.757 53.050 0.001 0.000 0.854 420 N CB 0.276 38.759 38.487 -0.007 0.000 1.083 420 N HN 0.796 nan 8.380 nan 0.000 0.504 421 E N 0.743 120.739 120.200 -0.340 0.000 2.077 421 E HA -0.231 4.118 4.350 -0.002 0.000 0.193 421 E C -0.185 176.243 176.600 -0.287 0.000 0.989 421 E CA 0.557 56.492 56.400 -0.775 0.000 0.800 421 E CB -0.050 28.597 29.700 -1.755 0.000 0.746 421 E HN 0.450 nan 8.360 nan 0.000 0.452 422 Y N 1.964 122.155 120.300 -0.182 0.000 2.721 422 Y HA -0.077 4.472 4.550 -0.002 0.000 0.329 422 Y C 0.352 176.214 175.900 -0.063 0.000 1.211 422 Y CA 0.682 58.736 58.100 -0.077 0.000 1.512 422 Y CB 0.178 38.627 38.460 -0.020 0.000 1.249 422 Y HN 0.063 nan 8.280 nan 0.000 0.549 423 K N 3.800 123.859 120.400 -0.569 0.000 3.130 423 K HA -0.241 4.078 4.320 -0.002 0.000 0.282 423 K C 0.842 177.351 176.600 -0.152 0.000 1.145 423 K CA 0.779 56.810 56.287 -0.426 0.000 0.831 423 K CB -1.741 30.450 32.500 -0.515 0.000 1.226 423 K HN 1.278 nan 8.250 nan 0.000 0.478 424 G N 0.757 109.489 108.800 -0.113 0.000 2.321 424 G HA2 -0.329 3.630 3.960 -0.002 0.000 0.287 424 G HA3 -0.329 3.630 3.960 -0.002 0.000 0.287 424 G C 0.052 174.923 174.900 -0.047 0.000 1.018 424 G CA 0.981 46.063 45.100 -0.029 0.000 0.855 424 G HN 0.364 nan 8.290 nan 0.000 0.507 425 M N -0.072 119.430 119.600 -0.163 0.000 2.055 425 M HA 0.249 4.728 4.480 -0.002 0.000 0.347 425 M C -1.325 174.724 176.300 -0.419 0.000 1.123 425 M CA -2.038 53.005 55.300 -0.428 0.000 1.035 425 M CB 1.741 34.186 32.600 -0.258 0.000 1.484 425 M HN -0.150 nan 8.290 nan 0.000 0.428 426 P HA -0.070 nan 4.420 nan 0.000 0.222 426 P C 1.110 178.268 177.300 -0.236 0.000 1.147 426 P CA 0.933 63.835 63.100 -0.330 0.000 0.790 426 P CB 0.223 31.699 31.700 -0.373 0.000 0.780 427 G N -1.171 107.447 108.800 -0.303 0.000 3.284 427 G HA2 0.310 4.269 3.960 -0.002 0.000 0.236 427 G HA3 0.310 4.269 3.960 -0.002 0.000 0.236 427 G C 0.567 175.507 174.900 0.067 0.000 1.158 427 G CA 0.011 45.068 45.100 -0.072 0.000 0.774 427 G HN 0.363 nan 8.290 nan 0.000 0.545 428 G N -0.123 108.660 108.800 -0.029 0.000 2.441 428 G HA2 0.662 4.621 3.960 -0.002 0.000 0.334 428 G HA3 0.662 4.621 3.960 -0.002 0.000 0.334 428 G C -0.784 174.050 174.900 -0.109 0.000 1.161 428 G CA -0.853 44.266 45.100 0.030 0.000 0.935 428 G HN 0.160 nan 8.290 nan 0.000 0.488 429 R N 1.260 121.657 120.500 -0.172 0.000 2.515 429 R HA 0.342 4.681 4.340 -0.002 0.000 0.291 429 R C -1.381 174.884 176.300 -0.058 0.000 1.046 429 R CA -0.821 55.124 56.100 -0.258 0.000 0.914 429 R CB 2.142 32.013 30.300 -0.716 0.000 1.191 429 R HN 0.523 nan 8.270 nan 0.000 0.435 430 N N 2.385 121.059 118.700 -0.044 0.000 2.229 430 N HA 0.334 5.073 4.740 -0.002 0.000 0.298 430 N C -0.895 174.435 175.510 -0.301 0.000 1.114 430 N CA -0.716 52.208 53.050 -0.211 0.000 0.776 430 N CB 2.611 40.859 38.487 -0.399 0.000 1.501 430 N HN 0.326 nan 8.380 nan 0.000 0.474 431 L N 2.226 123.154 121.223 -0.492 0.000 2.380 431 L HA 0.289 4.628 4.340 -0.002 0.000 0.273 431 L C -0.947 175.489 176.870 -0.724 0.000 1.138 431 L CA 0.088 54.659 54.840 -0.448 0.000 0.832 431 L CB 0.119 41.918 42.059 -0.433 0.000 1.124 431 L HN 0.521 nan 8.230 nan 0.000 0.454 432 Y N 3.614 123.578 120.300 -0.559 0.000 2.633 432 Y HA 0.507 5.056 4.550 -0.002 0.000 0.339 432 Y C -0.282 175.344 175.900 -0.456 0.000 1.045 432 Y CA -0.886 56.844 58.100 -0.616 0.000 1.098 432 Y CB 1.683 39.539 38.460 -1.007 0.000 1.296 432 Y HN 0.368 nan 8.280 nan 0.000 0.494 433 K N 2.078 122.395 120.400 -0.139 0.000 2.535 433 K HA 0.616 4.935 4.320 -0.002 0.000 0.250 433 K C -2.051 174.547 176.600 -0.003 0.000 0.948 433 K CA -0.380 55.775 56.287 -0.219 0.000 0.796 433 K CB 1.347 33.664 32.500 -0.305 0.000 1.216 433 K HN 0.705 nan 8.250 nan 0.000 0.432 434 I N 3.051 123.647 120.570 0.043 0.000 2.406 434 I HA 0.224 4.393 4.170 -0.002 0.000 0.290 434 I C -0.108 176.102 176.117 0.156 0.000 0.999 434 I CA -0.879 60.506 61.300 0.142 0.000 1.124 434 I CB 1.989 40.066 38.000 0.127 0.000 1.289 434 I HN 0.512 nan 8.210 nan 0.000 0.441 435 Q N 4.937 124.807 119.800 0.117 0.000 2.296 435 Q HA 0.258 4.597 4.340 -0.002 0.000 0.263 435 Q C 0.587 176.508 176.000 -0.132 0.000 1.026 435 Q CA -0.185 55.526 55.803 -0.154 0.000 0.912 435 Q CB 0.977 29.662 28.738 -0.089 0.000 1.198 435 Q HN 0.709 nan 8.270 nan 0.000 0.407 436 L N 2.211 123.307 121.223 -0.212 0.000 2.275 436 L HA -0.152 4.186 4.340 -0.002 0.000 0.215 436 L C 2.206 178.935 176.870 -0.235 0.000 1.119 436 L CA 1.042 55.828 54.840 -0.092 0.000 0.790 436 L CB -0.318 41.686 42.059 -0.092 0.000 0.919 436 L HN 0.660 nan 8.230 nan 0.000 0.443 437 S N -2.042 113.506 115.700 -0.254 0.000 2.481 437 S HA -0.092 4.377 4.470 -0.002 0.000 0.231 437 S C 0.615 175.028 174.600 -0.312 0.000 0.996 437 S CA 0.460 58.502 58.200 -0.262 0.000 0.942 437 S CB -0.010 63.075 63.200 -0.191 0.000 0.768 437 S HN 0.396 nan 8.310 nan 0.000 0.520 438 D N -0.398 119.825 120.400 -0.295 0.000 2.351 438 D HA 0.221 4.860 4.640 -0.002 0.000 0.235 438 D C -0.275 175.960 176.300 -0.108 0.000 1.331 438 D CA -0.610 53.245 54.000 -0.241 0.000 0.959 438 D CB 0.075 40.800 40.800 -0.125 0.000 1.432 438 D HN -0.043 nan 8.370 nan 0.000 0.544 439 Y N 0.923 121.193 120.300 -0.050 0.000 2.241 439 Y HA -0.183 4.366 4.550 -0.002 0.000 0.286 439 Y C 2.629 178.527 175.900 -0.003 0.000 1.166 439 Y CA 1.778 59.858 58.100 -0.033 0.000 1.203 439 Y CB -1.116 37.322 38.460 -0.037 0.000 0.977 439 Y HN 0.450 nan 8.280 nan 0.000 0.529 440 T N -2.165 112.467 114.554 0.130 0.000 3.163 440 T HA -0.045 4.304 4.350 -0.002 0.000 0.260 440 T C 0.634 175.383 174.700 0.080 0.000 1.156 440 T CA 0.268 62.422 62.100 0.090 0.000 1.072 440 T CB -0.339 68.559 68.868 0.050 0.000 0.937 440 T HN 0.148 nan 8.240 nan 0.000 0.528 441 K N 1.939 122.387 120.400 0.081 0.000 2.290 441 K HA 0.475 4.794 4.320 -0.002 0.000 0.250 441 K C -1.254 175.411 176.600 0.109 0.000 1.092 441 K CA -0.392 55.941 56.287 0.076 0.000 1.006 441 K CB 1.186 33.716 32.500 0.051 0.000 1.549 441 K HN 0.135 nan 8.250 nan 0.000 0.436 442 V N 2.344 122.327 119.914 0.115 0.000 2.417 442 V HA 0.228 4.347 4.120 -0.002 0.000 0.291 442 V C 0.064 176.223 176.094 0.109 0.000 1.024 442 V CA -0.741 61.645 62.300 0.143 0.000 0.861 442 V CB 1.710 33.646 31.823 0.187 0.000 0.985 442 V HN 0.557 nan 8.190 nan 0.000 0.436 443 T N 3.423 118.015 114.554 0.063 0.000 2.795 443 T HA 0.239 4.588 4.350 -0.002 0.000 0.282 443 T C -0.175 174.470 174.700 -0.092 0.000 0.980 443 T CA -0.263 61.827 62.100 -0.016 0.000 1.012 443 T CB 1.186 70.011 68.868 -0.070 0.000 0.936 443 T HN 0.765 nan 8.240 nan 0.000 0.457 444 C N 4.996 124.180 119.300 -0.194 0.000 2.482 444 C HA 0.387 4.846 4.460 -0.002 0.000 0.378 444 C C 1.646 176.342 174.990 -0.491 0.000 1.284 444 C CA -0.565 58.096 59.018 -0.596 0.000 1.826 444 C CB -1.777 25.543 27.740 -0.700 0.000 2.473 444 C HN 0.984 nan 8.230 nan 0.000 0.562 445 L N 4.580 125.470 121.223 -0.555 0.000 2.477 445 L HA 0.092 4.431 4.340 -0.002 0.000 0.220 445 L C 2.110 178.689 176.870 -0.484 0.000 1.106 445 L CA 0.893 55.487 54.840 -0.410 0.000 0.851 445 L CB -0.222 41.629 42.059 -0.348 0.000 0.994 445 L HN 0.889 nan 8.230 nan 0.000 0.462 446 S N -3.198 112.102 115.700 -0.667 0.000 2.631 446 S HA -0.013 4.456 4.470 -0.002 0.000 0.246 446 S C 1.863 176.077 174.600 -0.644 0.000 1.068 446 S CA -0.050 57.656 58.200 -0.822 0.000 0.995 446 S CB -0.280 62.051 63.200 -1.449 0.000 0.944 446 S HN 0.267 nan 8.310 nan 0.000 0.529 447 C N 2.742 121.640 119.300 -0.670 0.000 2.336 447 C HA -0.092 4.367 4.460 -0.002 0.000 0.275 447 C C 2.483 177.211 174.990 -0.438 0.000 1.175 447 C CA 1.458 60.029 59.018 -0.745 0.000 1.771 447 C CB -0.944 26.176 27.740 -1.034 0.000 2.030 447 C HN 0.599 nan 8.230 nan 0.000 0.442 448 E N 0.307 120.318 120.200 -0.315 0.000 2.479 448 E HA 0.144 4.493 4.350 -0.002 0.000 0.193 448 E C 1.941 178.488 176.600 -0.090 0.000 1.049 448 E CA 0.024 56.334 56.400 -0.150 0.000 0.870 448 E CB -0.321 29.314 29.700 -0.109 0.000 0.944 448 E HN 0.666 nan 8.360 nan 0.000 0.492 449 L N 0.442 121.602 121.223 -0.104 0.000 2.042 449 L HA -0.107 4.232 4.340 -0.002 0.000 0.210 449 L C 1.039 177.916 176.870 0.012 0.000 1.076 449 L CA 1.005 55.823 54.840 -0.037 0.000 0.749 449 L CB 0.028 42.069 42.059 -0.029 0.000 0.893 449 L HN 0.063 nan 8.230 nan 0.000 0.432 450 N N -1.698 117.023 118.700 0.035 0.000 3.029 450 N HA 0.067 4.806 4.740 -0.002 0.000 0.198 450 N C -2.186 173.346 175.510 0.036 0.000 1.444 450 N CA -0.630 52.437 53.050 0.029 0.000 0.784 450 N CB 0.758 39.258 38.487 0.022 0.000 1.539 450 N HN -0.155 nan 8.380 nan 0.000 0.582 451 P HA -0.037 nan 4.420 nan 0.000 0.221 451 P C 0.743 178.083 177.300 0.067 0.000 1.150 451 P CA 1.102 64.245 63.100 0.072 0.000 0.800 451 P CB 0.788 32.544 31.700 0.092 0.000 0.787 452 E N -0.542 119.680 120.200 0.037 0.000 2.112 452 E HA -0.046 4.303 4.350 -0.002 0.000 0.190 452 E C 2.349 178.949 176.600 0.001 0.000 0.979 452 E CA 0.631 57.045 56.400 0.023 0.000 0.814 452 E CB -0.252 29.455 29.700 0.011 0.000 0.762 452 E HN 0.087 nan 8.360 nan 0.000 0.460 453 R N -0.804 119.685 120.500 -0.018 0.000 2.173 453 R HA 0.146 4.485 4.340 -0.002 0.000 0.208 453 R C -0.360 175.893 176.300 -0.078 0.000 1.035 453 R CA 0.512 56.578 56.100 -0.056 0.000 1.004 453 R CB 0.380 30.637 30.300 -0.072 0.000 0.917 453 R HN 0.112 nan 8.270 nan 0.000 0.462 454 c N 0.612 119.179 118.600 -0.056 0.000 2.356 454 c HA 0.400 4.969 4.570 -0.002 0.000 0.324 454 c C 0.127 174.198 174.090 -0.032 0.000 1.167 454 c CA -0.653 55.592 56.329 -0.140 0.000 1.420 454 c CB 1.424 43.828 42.510 -0.176 0.000 2.036 454 c HN 0.516 nan 8.230 nan 0.000 0.435 455 Q N 0.499 120.273 119.800 -0.043 0.000 2.113 455 Q HA 0.208 4.547 4.340 -0.002 0.000 0.225 455 Q C -0.904 175.168 176.000 0.121 0.000 0.786 455 Q CA 0.146 56.007 55.803 0.097 0.000 0.989 455 Q CB 1.351 30.160 28.738 0.119 0.000 1.174 455 Q HN 0.790 nan 8.270 nan 0.000 0.470 456 Y N 0.388 120.585 120.300 -0.171 0.000 2.349 456 Y HA 0.394 4.943 4.550 -0.002 0.000 0.324 456 Y C -1.621 174.134 175.900 -0.241 0.000 1.005 456 Y CA -0.982 57.045 58.100 -0.121 0.000 1.240 456 Y CB 0.820 39.217 38.460 -0.105 0.000 1.117 456 Y HN -0.098 nan 8.280 nan 0.000 0.463 457 Y N 2.602 122.822 120.300 -0.134 0.000 2.509 457 Y HA 0.650 5.199 4.550 -0.002 0.000 0.341 457 Y C 0.194 176.036 175.900 -0.097 0.000 1.038 457 Y CA -0.570 57.474 58.100 -0.094 0.000 1.089 457 Y CB 2.288 40.666 38.460 -0.137 0.000 1.241 457 Y HN 0.549 nan 8.280 nan 0.000 0.468 458 S N 0.799 116.588 115.700 0.149 0.000 2.667 458 S HA 0.884 5.353 4.470 -0.002 0.000 0.292 458 S C -1.658 173.020 174.600 0.130 0.000 1.126 458 S CA -0.759 57.514 58.200 0.123 0.000 0.881 458 S CB 1.915 65.196 63.200 0.135 0.000 1.132 458 S HN 0.574 nan 8.310 nan 0.000 0.492 459 V N 0.458 120.444 119.914 0.121 0.000 2.971 459 V HA 0.837 4.956 4.120 -0.002 0.000 0.309 459 V C -1.222 174.959 176.094 0.145 0.000 1.130 459 V CA -0.232 62.113 62.300 0.076 0.000 0.964 459 V CB 2.351 34.141 31.823 -0.054 0.000 1.029 459 V HN 1.199 nan 8.190 nan 0.000 0.427 460 S N 5.144 120.928 115.700 0.139 0.000 2.756 460 S HA 0.668 5.137 4.470 -0.002 0.000 0.303 460 S C -1.175 173.603 174.600 0.297 0.000 1.135 460 S CA -0.382 57.994 58.200 0.293 0.000 1.066 460 S CB 0.456 63.863 63.200 0.344 0.000 1.008 460 S HN 0.470 nan 8.310 nan 0.000 0.482 461 F N 3.296 123.342 119.950 0.160 0.000 2.375 461 F HA 0.421 4.947 4.527 -0.002 0.000 0.333 461 F C 1.435 176.930 175.800 -0.508 0.000 1.104 461 F CA -0.295 57.652 58.000 -0.088 0.000 1.149 461 F CB 1.444 40.355 39.000 -0.148 0.000 1.190 461 F HN 0.661 nan 8.300 nan 0.000 0.533 462 S N 1.539 116.648 115.700 -0.986 0.000 2.589 462 S HA 0.241 4.710 4.470 -0.002 0.000 0.265 462 S C -0.325 174.085 174.600 -0.316 0.000 1.342 462 S CA -1.101 56.357 58.200 -1.237 0.000 1.005 462 S CB 0.418 62.816 63.200 -1.337 0.000 0.909 462 S HN 0.462 nan 8.310 nan 0.000 0.555 463 K N 1.628 121.960 120.400 -0.112 0.000 2.527 463 K HA 0.046 4.365 4.320 -0.002 0.000 0.278 463 K C 0.866 177.471 176.600 0.009 0.000 0.981 463 K CA 0.876 57.177 56.287 0.023 0.000 1.009 463 K CB -0.230 32.325 32.500 0.091 0.000 0.895 463 K HN 0.769 nan 8.250 nan 0.000 0.493 464 E N 1.268 121.487 120.200 0.033 0.000 3.680 464 E HA -0.380 3.969 4.350 -0.002 0.000 0.309 464 E C 0.063 176.659 176.600 -0.007 0.000 0.793 464 E CA 0.623 57.040 56.400 0.028 0.000 1.083 464 E CB -1.317 28.409 29.700 0.043 0.000 1.548 464 E HN 0.833 nan 8.360 nan 0.000 0.456 465 A N -0.358 122.442 122.820 -0.035 0.000 2.860 465 A HA -0.346 3.973 4.320 -0.002 0.000 0.267 465 A C 1.289 178.863 177.584 -0.017 0.000 1.421 465 A CA 1.859 53.894 52.037 -0.003 0.000 0.831 465 A CB -1.097 17.803 19.000 -0.167 0.000 1.041 465 A HN 0.221 nan 8.150 nan 0.000 0.623 466 K N -1.600 118.717 120.400 -0.138 0.000 2.147 466 K HA -0.027 4.292 4.320 -0.002 0.000 0.205 466 K C 0.272 176.473 176.600 -0.664 0.000 1.049 466 K CA 1.591 57.641 56.287 -0.396 0.000 0.936 466 K CB -0.224 31.966 32.500 -0.516 0.000 0.722 466 K HN 0.786 nan 8.250 nan 0.000 0.446 467 Y N -0.834 119.437 120.300 -0.049 0.000 2.576 467 Y HA 0.347 4.896 4.550 -0.002 0.000 0.346 467 Y C -0.421 175.447 175.900 -0.054 0.000 1.018 467 Y CA -1.842 56.227 58.100 -0.051 0.000 1.050 467 Y CB 1.562 40.014 38.460 -0.015 0.000 1.280 467 Y HN -0.020 nan 8.280 nan 0.000 0.474 468 Y N -1.048 119.233 120.300 -0.032 0.000 2.492 468 Y HA 0.530 5.079 4.550 -0.002 0.000 0.346 468 Y C -0.947 174.972 175.900 0.032 0.000 0.997 468 Y CA -1.677 56.246 58.100 -0.294 0.000 1.025 468 Y CB 1.440 39.171 38.460 -1.214 0.000 1.263 468 Y HN 0.611 nan 8.280 nan 0.000 0.454 469 Q N 3.979 123.900 119.800 0.203 0.000 2.322 469 Q HA 0.462 4.801 4.340 -0.002 0.000 0.256 469 Q C -1.588 174.493 176.000 0.135 0.000 0.960 469 Q CA -0.475 55.404 55.803 0.126 0.000 0.934 469 Q CB 0.865 29.648 28.738 0.076 0.000 1.200 469 Q HN 0.958 nan 8.270 nan 0.000 0.435 470 L N 5.143 126.469 121.223 0.170 0.000 2.312 470 L HA 0.482 4.821 4.340 -0.002 0.000 0.281 470 L C -0.227 176.733 176.870 0.150 0.000 1.070 470 L CA -0.502 54.444 54.840 0.178 0.000 0.805 470 L CB 1.012 43.173 42.059 0.169 0.000 1.174 470 L HN 0.666 nan 8.230 nan 0.000 0.434 471 R N 2.643 123.213 120.500 0.115 0.000 2.476 471 R HA 0.549 4.888 4.340 -0.002 0.000 0.305 471 R C -0.835 175.338 176.300 -0.212 0.000 0.965 471 R CA -0.734 55.279 56.100 -0.145 0.000 0.867 471 R CB 1.181 31.395 30.300 -0.144 0.000 1.176 471 R HN 0.615 nan 8.270 nan 0.000 0.447 472 c N 1.555 119.884 118.600 -0.451 0.000 2.358 472 c HA 0.613 5.182 4.570 -0.002 0.000 0.342 472 c C 0.580 174.435 174.090 -0.392 0.000 1.234 472 c CA -0.343 55.603 56.329 -0.640 0.000 1.969 472 c CB 1.505 43.415 42.510 -0.999 0.000 2.346 472 c HN 0.962 nan 8.230 nan 0.000 0.525 473 S N 1.835 117.397 115.700 -0.229 0.000 2.603 473 S HA 0.593 5.062 4.470 -0.002 0.000 0.232 473 S C 0.524 175.076 174.600 -0.079 0.000 1.016 473 S CA 0.436 58.566 58.200 -0.117 0.000 0.976 473 S CB 0.393 63.562 63.200 -0.053 0.000 0.921 473 S HN 1.597 nan 8.310 nan 0.000 0.516 474 G N 1.404 110.139 108.800 -0.108 0.000 2.321 474 G HA2 0.312 4.271 3.960 -0.002 0.000 0.298 474 G HA3 0.312 4.271 3.960 -0.002 0.000 0.298 474 G C -3.108 171.763 174.900 -0.048 0.000 1.385 474 G CA -0.718 44.356 45.100 -0.043 0.000 0.856 474 G HN -0.186 nan 8.290 nan 0.000 0.584 475 P HA 0.122 nan 4.420 nan 0.000 0.221 475 P C 1.484 178.805 177.300 0.035 0.000 1.150 475 P CA 1.527 64.646 63.100 0.031 0.000 0.800 475 P CB 0.152 31.867 31.700 0.026 0.000 0.787 476 G N -0.330 108.422 108.800 -0.079 0.000 2.553 476 G HA2 0.330 4.289 3.960 -0.002 0.000 0.278 476 G HA3 0.330 4.289 3.960 -0.002 0.000 0.278 476 G C -0.408 174.244 174.900 -0.413 0.000 1.349 476 G CA -0.666 44.304 45.100 -0.217 0.000 1.037 476 G HN 0.022 nan 8.290 nan 0.000 0.508 477 L N 1.191 122.087 121.223 -0.544 0.000 2.485 477 L HA 0.129 4.468 4.340 -0.002 0.000 0.275 477 L C -1.812 174.878 176.870 -0.300 0.000 1.207 477 L CA -1.218 53.283 54.840 -0.565 0.000 0.855 477 L CB 0.481 42.289 42.059 -0.418 0.000 1.114 477 L HN 0.246 nan 8.230 nan 0.000 0.485 478 P HA 0.041 nan 4.420 nan 0.000 0.265 478 P C -0.810 176.349 177.300 -0.235 0.000 1.187 478 P CA 0.280 63.250 63.100 -0.216 0.000 0.766 478 P CB 0.527 32.178 31.700 -0.081 0.000 0.820 479 L N 3.957 124.943 121.223 -0.395 0.000 2.438 479 L HA 0.425 4.764 4.340 -0.002 0.000 0.270 479 L C -1.372 175.257 176.870 -0.403 0.000 0.972 479 L CA -0.817 53.862 54.840 -0.267 0.000 0.831 479 L CB 1.282 43.239 42.059 -0.169 0.000 1.273 479 L HN 0.353 nan 8.230 nan 0.000 0.405 480 Y N 2.171 122.426 120.300 -0.076 0.000 2.328 480 Y HA 0.543 5.092 4.550 -0.002 0.000 0.337 480 Y C 0.532 176.318 175.900 -0.190 0.000 0.966 480 Y CA -0.499 57.532 58.100 -0.115 0.000 1.136 480 Y CB 2.141 40.511 38.460 -0.150 0.000 1.170 480 Y HN 0.507 nan 8.280 nan 0.000 0.470 481 T N 1.569 116.108 114.554 -0.024 0.000 2.903 481 T HA 0.662 5.011 4.350 -0.002 0.000 0.299 481 T C -1.282 173.301 174.700 -0.194 0.000 1.093 481 T CA -0.927 61.088 62.100 -0.142 0.000 1.002 481 T CB 1.636 70.452 68.868 -0.087 0.000 1.127 481 T HN 0.528 nan 8.240 nan 0.000 0.488 482 L N 1.900 122.901 121.223 -0.369 0.000 2.329 482 L HA 0.627 4.966 4.340 -0.002 0.000 0.279 482 L C -0.968 175.548 176.870 -0.590 0.000 1.014 482 L CA -0.780 53.877 54.840 -0.305 0.000 0.814 482 L CB 1.516 43.464 42.059 -0.186 0.000 1.257 482 L HN 0.897 nan 8.230 nan 0.000 0.424 483 H N 0.240 119.072 119.070 -0.396 0.000 2.865 483 H HA 0.446 5.001 4.556 -0.002 0.000 0.372 483 H C -0.527 174.594 175.328 -0.345 0.000 1.173 483 H CA -0.651 55.074 56.048 -0.537 0.000 1.147 483 H CB 2.008 31.085 29.762 -1.142 0.000 1.805 483 H HN 0.481 nan 8.280 nan 0.000 0.553 484 S N -0.008 115.672 115.700 -0.033 0.000 2.475 484 S HA 0.293 4.762 4.470 -0.002 0.000 0.298 484 S C 0.325 174.937 174.600 0.020 0.000 1.119 484 S CA -0.731 57.490 58.200 0.036 0.000 1.085 484 S CB 1.763 65.028 63.200 0.108 0.000 1.028 484 S HN 0.550 nan 8.310 nan 0.000 0.489 485 S N 1.863 117.571 115.700 0.014 0.000 2.453 485 S HA -0.054 4.415 4.470 -0.002 0.000 0.231 485 S C 1.894 176.531 174.600 0.062 0.000 1.005 485 S CA 0.743 59.032 58.200 0.148 0.000 0.949 485 S CB -0.549 62.732 63.200 0.134 0.000 0.774 485 S HN 0.622 nan 8.310 nan 0.000 0.510 486 V N 2.600 122.511 119.914 -0.006 0.000 2.215 486 V HA -0.269 3.850 4.120 -0.002 0.000 0.249 486 V C 1.212 177.320 176.094 0.023 0.000 1.054 486 V CA 2.167 64.472 62.300 0.009 0.000 1.012 486 V CB -0.714 31.103 31.823 -0.010 0.000 0.639 486 V HN 0.504 nan 8.190 nan 0.000 0.448 487 N N -1.490 117.223 118.700 0.021 0.000 2.200 487 N HA 0.150 4.889 4.740 -0.002 0.000 0.224 487 N C -0.447 175.078 175.510 0.025 0.000 1.179 487 N CA 0.094 53.156 53.050 0.019 0.000 0.877 487 N CB 0.542 39.039 38.487 0.017 0.000 1.072 487 N HN 0.344 nan 8.380 nan 0.000 0.519 488 D N 0.752 121.185 120.400 0.054 0.000 2.772 488 D HA -0.198 4.441 4.640 -0.002 0.000 0.233 488 D C -0.242 176.101 176.300 0.071 0.000 1.143 488 D CA 0.973 55.032 54.000 0.098 0.000 0.700 488 D CB -0.593 40.248 40.800 0.069 0.000 1.076 488 D HN 0.415 nan 8.370 nan 0.000 0.430 489 K N 0.791 121.217 120.400 0.044 0.000 2.276 489 K HA 0.398 4.717 4.320 -0.002 0.000 0.283 489 K C 0.715 177.315 176.600 -0.001 0.000 1.044 489 K CA -0.133 56.167 56.287 0.023 0.000 0.944 489 K CB 0.859 33.361 32.500 0.004 0.000 1.012 489 K HN 0.095 nan 8.250 nan 0.000 0.472 490 G N 3.810 112.596 108.800 -0.022 0.000 2.365 490 G HA2 0.152 4.111 3.960 -0.002 0.000 0.249 490 G HA3 0.152 4.111 3.960 -0.002 0.000 0.249 490 G C 0.624 175.398 174.900 -0.211 0.000 1.288 490 G CA -0.353 44.607 45.100 -0.234 0.000 0.887 490 G HN 0.699 nan 8.290 nan 0.000 0.524 491 L N 1.300 122.351 121.223 -0.287 0.000 2.362 491 L HA 0.417 4.756 4.340 -0.002 0.000 0.204 491 L C 1.357 178.134 176.870 -0.155 0.000 1.060 491 L CA 0.375 55.114 54.840 -0.168 0.000 0.827 491 L CB 0.229 42.205 42.059 -0.139 0.000 1.027 491 L HN 0.515 nan 8.230 nan 0.000 0.474 492 R N -0.795 119.576 120.500 -0.215 0.000 2.736 492 R HA 0.368 4.707 4.340 -0.002 0.000 0.250 492 R C -1.726 174.442 176.300 -0.219 0.000 1.098 492 R CA -0.432 55.564 56.100 -0.173 0.000 0.978 492 R CB 1.871 32.083 30.300 -0.147 0.000 1.263 492 R HN -0.268 nan 8.270 nan 0.000 0.460 493 V N 5.871 125.683 119.914 -0.169 0.000 2.546 493 V HA 0.244 4.363 4.120 -0.002 0.000 0.284 493 V C 1.033 176.995 176.094 -0.220 0.000 1.050 493 V CA -0.163 62.036 62.300 -0.168 0.000 0.981 493 V CB 1.547 33.308 31.823 -0.103 0.000 0.990 493 V HN 0.739 nan 8.190 nan 0.000 0.474 494 L N 2.065 123.103 121.223 -0.308 0.000 2.349 494 L HA 0.378 4.717 4.340 -0.002 0.000 0.200 494 L C 0.551 177.218 176.870 -0.338 0.000 1.064 494 L CA 0.490 54.975 54.840 -0.592 0.000 0.821 494 L CB 0.308 41.632 42.059 -1.224 0.000 1.027 494 L HN 0.665 nan 8.230 nan 0.000 0.476 495 E N 0.282 120.420 120.200 -0.104 0.000 2.307 495 E HA 0.107 4.456 4.350 -0.002 0.000 0.280 495 E C -1.173 175.501 176.600 0.123 0.000 0.900 495 E CA -0.381 56.064 56.400 0.076 0.000 0.790 495 E CB 1.186 30.982 29.700 0.159 0.000 1.261 495 E HN 0.176 nan 8.360 nan 0.000 0.405 496 D N 3.368 123.805 120.400 0.062 0.000 2.431 496 D HA 0.096 4.735 4.640 -0.002 0.000 0.213 496 D C -0.405 175.906 176.300 0.019 0.000 1.130 496 D CA -0.279 53.736 54.000 0.025 0.000 0.834 496 D CB -0.141 40.653 40.800 -0.010 0.000 0.985 496 D HN 0.457 nan 8.370 nan 0.000 0.504 497 N N 0.744 119.478 118.700 0.056 0.000 2.716 497 N HA -0.216 4.523 4.740 -0.002 0.000 0.250 497 N C 0.982 176.500 175.510 0.013 0.000 1.033 497 N CA 0.939 54.015 53.050 0.043 0.000 0.727 497 N CB -1.183 37.319 38.487 0.024 0.000 0.950 497 N HN 0.526 nan 8.380 nan 0.000 0.541 498 S N -1.245 114.466 115.700 0.018 0.000 2.406 498 S HA 0.040 4.509 4.470 -0.002 0.000 0.228 498 S C 2.107 176.723 174.600 0.026 0.000 1.020 498 S CA 0.741 58.947 58.200 0.010 0.000 0.965 498 S CB -0.053 63.153 63.200 0.009 0.000 0.798 498 S HN 0.482 nan 8.310 nan 0.000 0.488 499 A N 2.164 125.010 122.820 0.043 0.000 1.908 499 A HA 0.055 4.374 4.320 -0.002 0.000 0.218 499 A C 2.285 179.916 177.584 0.079 0.000 1.181 499 A CA 1.521 53.594 52.037 0.059 0.000 0.627 499 A CB -0.898 18.140 19.000 0.064 0.000 0.818 499 A HN 0.546 nan 8.150 nan 0.000 0.445 500 L N -0.855 120.416 121.223 0.080 0.000 2.156 500 L HA -0.157 4.182 4.340 -0.002 0.000 0.208 500 L C 2.151 179.057 176.870 0.060 0.000 1.095 500 L CA 2.236 57.140 54.840 0.108 0.000 0.770 500 L CB -0.503 41.616 42.059 0.101 0.000 0.914 500 L HN 0.504 nan 8.230 nan 0.000 0.439 501 D N 0.057 120.463 120.400 0.010 0.000 2.104 501 D HA -0.259 4.380 4.640 -0.002 0.000 0.194 501 D C 2.161 178.464 176.300 0.005 0.000 0.994 501 D CA 1.913 55.900 54.000 -0.023 0.000 0.830 501 D CB 0.183 40.959 40.800 -0.039 0.000 0.959 501 D HN 0.393 nan 8.370 nan 0.000 0.452 502 K N -0.056 120.361 120.400 0.029 0.000 2.026 502 K HA -0.170 4.149 4.320 -0.002 0.000 0.208 502 K C 2.234 178.873 176.600 0.066 0.000 1.048 502 K CA 1.370 57.682 56.287 0.041 0.000 0.929 502 K CB -0.438 32.089 32.500 0.045 0.000 0.713 502 K HN 0.202 nan 8.250 nan 0.000 0.439 503 M N 1.194 120.860 119.600 0.109 0.000 2.073 503 M HA -0.157 4.322 4.480 -0.002 0.000 0.258 503 M C 2.327 178.682 176.300 0.092 0.000 1.070 503 M CA 1.757 57.170 55.300 0.188 0.000 1.103 503 M CB -0.598 32.224 32.600 0.370 0.000 1.321 503 M HN 0.122 nan 8.290 nan 0.000 0.405 504 L N -0.475 120.746 121.223 -0.004 0.000 2.275 504 L HA -0.193 4.146 4.340 -0.002 0.000 0.215 504 L C 2.413 179.257 176.870 -0.043 0.000 1.119 504 L CA 0.899 55.678 54.840 -0.101 0.000 0.790 504 L CB -0.577 41.431 42.059 -0.085 0.000 0.919 504 L HN 0.389 nan 8.230 nan 0.000 0.443 505 Q N -0.040 119.755 119.800 -0.008 0.000 2.234 505 Q HA -0.210 4.129 4.340 -0.002 0.000 0.206 505 Q C 1.420 177.432 176.000 0.020 0.000 0.980 505 Q CA 1.323 57.128 55.803 0.003 0.000 0.869 505 Q CB -0.021 28.724 28.738 0.012 0.000 0.912 505 Q HN 0.282 nan 8.270 nan 0.000 0.436 506 N N -0.630 118.092 118.700 0.037 0.000 2.295 506 N HA 0.085 4.824 4.740 -0.002 0.000 0.221 506 N C -1.563 173.986 175.510 0.065 0.000 1.129 506 N CA -0.018 53.068 53.050 0.060 0.000 0.836 506 N CB 0.760 39.298 38.487 0.084 0.000 1.040 506 N HN -0.135 nan 8.380 nan 0.000 0.494 507 V N 0.821 120.753 119.914 0.030 0.000 2.789 507 V HA 0.296 4.415 4.120 -0.002 0.000 0.311 507 V C -0.162 175.949 176.094 0.028 0.000 1.073 507 V CA -0.987 61.334 62.300 0.034 0.000 0.921 507 V CB 2.178 33.978 31.823 -0.038 0.000 1.009 507 V HN 0.067 nan 8.190 nan 0.000 0.426 508 Q N 4.081 123.917 119.800 0.060 0.000 2.613 508 Q HA 0.257 4.596 4.340 -0.002 0.000 0.228 508 Q C -0.489 175.516 176.000 0.008 0.000 1.318 508 Q CA -0.069 55.758 55.803 0.040 0.000 0.907 508 Q CB 0.211 29.009 28.738 0.100 0.000 1.593 508 Q HN 0.499 nan 8.270 nan 0.000 0.559 509 M N 3.747 123.325 119.600 -0.038 0.000 2.235 509 M HA 0.324 4.803 4.480 -0.002 0.000 0.351 509 M C -1.951 174.294 176.300 -0.092 0.000 1.178 509 M CA -2.417 52.845 55.300 -0.063 0.000 1.143 509 M CB 0.195 32.758 32.600 -0.061 0.000 1.530 509 M HN 0.274 nan 8.290 nan 0.000 0.461 510 P HA 0.253 nan 4.420 nan 0.000 0.276 510 P C -0.723 176.496 177.300 -0.136 0.000 1.261 510 P CA -0.386 62.633 63.100 -0.135 0.000 0.800 510 P CB 0.546 32.151 31.700 -0.158 0.000 1.066 511 S N -0.819 114.785 115.700 -0.160 0.000 2.664 511 S HA 0.574 5.043 4.470 -0.002 0.000 0.304 511 S C -0.517 173.982 174.600 -0.169 0.000 1.099 511 S CA -0.792 57.321 58.200 -0.144 0.000 1.003 511 S CB 1.605 64.716 63.200 -0.147 0.000 1.092 511 S HN 0.479 nan 8.310 nan 0.000 0.525 512 K N 0.791 121.115 120.400 -0.127 0.000 2.358 512 K HA 0.360 4.679 4.320 -0.002 0.000 0.260 512 K C -1.125 175.408 176.600 -0.111 0.000 0.956 512 K CA -0.506 55.710 56.287 -0.119 0.000 0.834 512 K CB 1.155 33.608 32.500 -0.078 0.000 1.102 512 K HN 0.697 nan 8.250 nan 0.000 0.431 513 K N 5.777 126.097 120.400 -0.134 0.000 2.213 513 K HA 0.290 4.609 4.320 -0.002 0.000 0.270 513 K C -1.247 175.292 176.600 -0.102 0.000 1.002 513 K CA -0.604 55.612 56.287 -0.117 0.000 0.868 513 K CB 0.890 33.302 32.500 -0.146 0.000 1.093 513 K HN 0.584 nan 8.250 nan 0.000 0.454 514 L N 4.986 126.163 121.223 -0.078 0.000 2.316 514 L HA 0.402 4.741 4.340 -0.002 0.000 0.280 514 L C -1.091 175.746 176.870 -0.055 0.000 1.006 514 L CA -0.192 54.625 54.840 -0.038 0.000 0.836 514 L CB 1.150 43.260 42.059 0.085 0.000 1.221 514 L HN 0.845 nan 8.230 nan 0.000 0.418 515 D N 3.040 123.233 120.400 -0.344 0.000 2.812 515 D HA 0.491 5.130 4.640 -0.002 0.000 0.318 515 D C -1.431 174.544 176.300 -0.542 0.000 1.234 515 D CA -0.045 53.689 54.000 -0.443 0.000 0.989 515 D CB 2.541 43.039 40.800 -0.503 0.000 1.442 515 D HN 0.230 nan 8.370 nan 0.000 0.537 516 F N -0.189 119.432 119.950 -0.548 0.000 2.620 516 F HA 0.736 5.262 4.527 -0.002 0.000 0.320 516 F C -0.614 175.243 175.800 0.095 0.000 1.069 516 F CA -1.059 56.678 58.000 -0.437 0.000 0.953 516 F CB 0.817 39.071 39.000 -1.244 0.000 1.322 516 F HN 0.238 nan 8.300 nan 0.000 0.479 517 I N -0.240 120.605 120.570 0.458 0.000 2.892 517 I HA 0.721 4.890 4.170 -0.002 0.000 0.306 517 I C -1.479 174.878 176.117 0.401 0.000 1.078 517 I CA -1.219 60.301 61.300 0.368 0.000 1.032 517 I CB 2.105 40.297 38.000 0.320 0.000 1.229 517 I HN 0.541 nan 8.210 nan 0.000 0.435 518 I N 3.335 124.079 120.570 0.290 0.000 2.385 518 I HA 0.380 4.549 4.170 -0.002 0.000 0.294 518 I C 0.385 176.644 176.117 0.236 0.000 0.988 518 I CA 0.015 61.459 61.300 0.240 0.000 1.265 518 I CB 1.609 39.710 38.000 0.168 0.000 1.388 518 I HN 0.661 nan 8.210 nan 0.000 0.480 519 L N 3.840 125.235 121.223 0.288 0.000 2.919 519 L HA 0.255 4.594 4.340 -0.002 0.000 0.169 519 L C 1.253 178.218 176.870 0.159 0.000 1.228 519 L CA 0.107 55.093 54.840 0.243 0.000 0.862 519 L CB -0.200 42.061 42.059 0.337 0.000 1.313 519 L HN 0.518 nan 8.230 nan 0.000 0.526 520 N N -0.008 118.798 118.700 0.177 0.000 2.324 520 N HA -0.022 4.717 4.740 -0.002 0.000 0.192 520 N C 0.426 175.979 175.510 0.072 0.000 1.046 520 N CA 1.052 54.162 53.050 0.099 0.000 0.898 520 N CB 0.369 38.906 38.487 0.083 0.000 1.079 520 N HN 0.174 nan 8.380 nan 0.000 0.456 521 E N -1.254 118.983 120.200 0.060 0.000 2.933 521 E HA 0.237 4.586 4.350 -0.002 0.000 0.175 521 E C -1.118 175.475 176.600 -0.012 0.000 0.932 521 E CA -0.007 56.410 56.400 0.027 0.000 1.340 521 E CB 1.043 30.751 29.700 0.014 0.000 1.025 521 E HN 0.030 nan 8.360 nan 0.000 0.461 522 T N 0.595 115.136 114.554 -0.022 0.000 2.856 522 T HA 0.353 4.702 4.350 -0.002 0.000 0.283 522 T C -0.325 174.202 174.700 -0.288 0.000 1.008 522 T CA -0.697 61.282 62.100 -0.202 0.000 0.997 522 T CB 1.818 70.498 68.868 -0.313 0.000 0.992 522 T HN -0.100 nan 8.240 nan 0.000 0.454 523 K N 2.034 122.208 120.400 -0.377 0.000 2.297 523 K HA 0.388 4.707 4.320 -0.002 0.000 0.286 523 K C -1.134 175.169 176.600 -0.495 0.000 1.053 523 K CA -0.098 55.980 56.287 -0.348 0.000 0.940 523 K CB 0.413 32.630 32.500 -0.471 0.000 1.019 523 K HN 0.401 nan 8.250 nan 0.000 0.475 524 F N 2.398 122.420 119.950 0.119 0.000 2.477 524 F HA 0.297 4.823 4.527 -0.002 0.000 0.335 524 F C -0.400 175.496 175.800 0.160 0.000 1.130 524 F CA -0.838 57.247 58.000 0.140 0.000 0.948 524 F CB 0.845 39.944 39.000 0.165 0.000 1.154 524 F HN 0.427 nan 8.300 nan 0.000 0.439 525 W N 3.959 125.395 121.300 0.227 0.000 2.313 525 W HA 0.502 5.161 4.660 -0.002 0.000 0.328 525 W C -0.434 176.261 176.519 0.293 0.000 1.197 525 W CA -0.548 56.951 57.345 0.256 0.000 1.235 525 W CB 0.549 30.098 29.460 0.148 0.000 1.158 525 W HN 0.480 nan 8.180 nan 0.000 0.578 526 Y N -0.373 120.244 120.300 0.527 0.000 2.644 526 Y HA 0.704 5.253 4.550 -0.002 0.000 0.338 526 Y C -1.017 175.104 175.900 0.367 0.000 1.119 526 Y CA -1.829 56.589 58.100 0.528 0.000 1.060 526 Y CB 1.207 40.159 38.460 0.820 0.000 1.294 526 Y HN 0.557 nan 8.280 nan 0.000 0.472 527 Q N 1.701 121.751 119.800 0.417 0.000 2.421 527 Q HA 0.728 5.067 4.340 -0.002 0.000 0.280 527 Q C -1.865 174.270 176.000 0.225 0.000 1.085 527 Q CA -1.163 54.749 55.803 0.181 0.000 0.807 527 Q CB 3.310 32.120 28.738 0.121 0.000 1.405 527 Q HN 0.845 nan 8.270 nan 0.000 0.419 528 M N 2.357 122.001 119.600 0.074 0.000 2.263 528 M HA 0.426 4.905 4.480 -0.002 0.000 0.295 528 M C -1.381 174.849 176.300 -0.116 0.000 1.028 528 M CA -0.801 54.479 55.300 -0.033 0.000 0.921 528 M CB 2.100 34.639 32.600 -0.101 0.000 1.601 528 M HN 0.632 nan 8.290 nan 0.000 0.440 529 I N 4.491 124.992 120.570 -0.116 0.000 2.352 529 I HA 0.306 4.475 4.170 -0.002 0.000 0.290 529 I C -0.669 175.300 176.117 -0.247 0.000 1.036 529 I CA 0.177 61.377 61.300 -0.167 0.000 1.336 529 I CB 0.552 38.470 38.000 -0.136 0.000 1.407 529 I HN 0.503 nan 8.210 nan 0.000 0.497 530 L N 8.573 129.595 121.223 -0.336 0.000 2.329 530 L HA 0.576 4.915 4.340 -0.002 0.000 0.279 530 L C -2.294 174.383 176.870 -0.322 0.000 1.014 530 L CA -2.013 52.525 54.840 -0.504 0.000 0.814 530 L CB 1.185 42.699 42.059 -0.907 0.000 1.257 530 L HN 0.315 nan 8.230 nan 0.000 0.424 531 P HA 0.024 nan 4.420 nan 0.000 0.267 531 P C -2.474 174.811 177.300 -0.025 0.000 1.201 531 P CA -0.710 62.347 63.100 -0.072 0.000 0.775 531 P CB -0.279 31.447 31.700 0.043 0.000 0.854 532 P HA 0.027 nan 4.420 nan 0.000 0.271 532 P C -0.520 176.788 177.300 0.013 0.000 1.216 532 P CA 0.281 63.328 63.100 -0.089 0.000 0.776 532 P CB -0.031 31.614 31.700 -0.091 0.000 0.881 533 H N -1.810 117.302 119.070 0.070 0.000 2.862 533 H HA -0.206 4.349 4.556 -0.002 0.000 0.290 533 H C 0.073 175.467 175.328 0.112 0.000 1.211 533 H CA 0.067 56.161 56.048 0.075 0.000 1.140 533 H CB -2.675 27.121 29.762 0.058 0.000 1.341 533 H HN 0.333 nan 8.280 nan 0.000 0.392 534 F N 2.041 121.993 119.950 0.004 0.000 2.642 534 F HA 0.159 4.685 4.527 -0.002 0.000 0.371 534 F C 0.560 176.372 175.800 0.020 0.000 1.120 534 F CA 0.407 58.372 58.000 -0.060 0.000 1.331 534 F CB 0.507 39.362 39.000 -0.242 0.000 1.044 534 F HN 0.290 nan 8.300 nan 0.000 0.594 535 D N 4.860 124.829 120.400 -0.719 0.000 2.386 535 D HA 0.136 4.775 4.640 -0.002 0.000 0.247 535 D C 0.297 176.243 176.300 -0.589 0.000 1.336 535 D CA -0.557 53.172 54.000 -0.451 0.000 0.976 535 D CB 1.001 41.718 40.800 -0.137 0.000 1.257 535 D HN 0.612 nan 8.370 nan 0.000 0.570 536 K N 0.753 120.813 120.400 -0.567 0.000 2.442 536 K HA -0.121 4.198 4.320 -0.002 0.000 0.198 536 K C 1.229 177.817 176.600 -0.021 0.000 1.044 536 K CA 1.427 57.553 56.287 -0.269 0.000 0.948 536 K CB -0.058 32.405 32.500 -0.060 0.000 0.762 536 K HN 0.183 nan 8.250 nan 0.000 0.472 537 S N -0.062 115.598 115.700 -0.066 0.000 2.470 537 S HA 0.050 4.519 4.470 -0.002 0.000 0.225 537 S C 0.573 175.147 174.600 -0.043 0.000 1.006 537 S CA -0.280 57.902 58.200 -0.030 0.000 0.934 537 S CB -0.017 63.159 63.200 -0.040 0.000 0.778 537 S HN 0.212 nan 8.310 nan 0.000 0.517 538 K N 1.109 121.462 120.400 -0.079 0.000 2.098 538 K HA 0.413 4.732 4.320 -0.002 0.000 0.257 538 K C -0.687 175.842 176.600 -0.118 0.000 0.999 538 K CA -0.310 55.877 56.287 -0.165 0.000 0.924 538 K CB 0.706 33.014 32.500 -0.320 0.000 1.028 538 K HN 0.091 nan 8.250 nan 0.000 0.466 539 K N 1.907 122.177 120.400 -0.217 0.000 2.274 539 K HA 0.281 4.600 4.320 -0.002 0.000 0.262 539 K C -1.380 175.084 176.600 -0.227 0.000 0.961 539 K CA -0.491 55.739 56.287 -0.094 0.000 0.833 539 K CB 0.905 33.364 32.500 -0.067 0.000 1.102 539 K HN 0.339 nan 8.250 nan 0.000 0.436 540 Y N 2.999 123.319 120.300 0.034 0.000 2.409 540 Y HA 0.305 4.854 4.550 -0.002 0.000 0.339 540 Y C -1.977 173.858 175.900 -0.108 0.000 1.033 540 Y CA -2.678 55.426 58.100 0.006 0.000 1.094 540 Y CB 0.986 39.526 38.460 0.133 0.000 1.210 540 Y HN 0.485 nan 8.280 nan 0.000 0.456 541 P HA 0.079 nan 4.420 nan 0.000 0.269 541 P C -0.999 176.162 177.300 -0.232 0.000 1.209 541 P CA 0.019 62.836 63.100 -0.472 0.000 0.776 541 P CB 1.311 32.434 31.700 -0.961 0.000 0.876 542 L N 3.389 124.497 121.223 -0.191 0.000 2.381 542 L HA 0.476 4.815 4.340 -0.002 0.000 0.274 542 L C -0.982 176.063 176.870 0.292 0.000 0.988 542 L CA -0.893 53.991 54.840 0.073 0.000 0.824 542 L CB 1.483 43.593 42.059 0.085 0.000 1.263 542 L HN 0.251 nan 8.230 nan 0.000 0.410 543 L N 6.206 127.629 121.223 0.334 0.000 2.280 543 L HA 0.408 4.747 4.340 -0.002 0.000 0.287 543 L C -0.863 176.239 176.870 0.387 0.000 1.023 543 L CA -0.601 54.491 54.840 0.420 0.000 0.819 543 L CB 1.466 43.726 42.059 0.334 0.000 1.212 543 L HN 0.660 nan 8.230 nan 0.000 0.420 544 L N 4.927 126.420 121.223 0.450 0.000 2.313 544 L HA 0.198 4.537 4.340 -0.002 0.000 0.282 544 L C -0.361 176.752 176.870 0.404 0.000 1.092 544 L CA -0.078 55.015 54.840 0.422 0.000 0.831 544 L CB 1.058 43.387 42.059 0.450 0.000 1.159 544 L HN 0.590 nan 8.230 nan 0.000 0.442 545 D N 4.579 125.195 120.400 0.360 0.000 2.359 545 D HA 0.285 4.924 4.640 -0.002 0.000 0.230 545 D C -0.883 175.510 176.300 0.155 0.000 1.118 545 D CA -0.170 53.984 54.000 0.257 0.000 0.844 545 D CB 1.445 42.457 40.800 0.353 0.000 1.059 545 D HN 0.102 nan 8.370 nan 0.000 0.493 546 V N 5.527 125.450 119.914 0.015 0.000 2.555 546 V HA 0.278 4.397 4.120 -0.002 0.000 0.302 546 V C -0.263 175.921 176.094 0.149 0.000 1.038 546 V CA -0.596 61.768 62.300 0.107 0.000 0.887 546 V CB 1.533 33.403 31.823 0.078 0.000 0.991 546 V HN 0.602 nan 8.190 nan 0.000 0.434 547 Y N 3.753 124.121 120.300 0.113 0.000 3.224 547 Y HA 0.550 5.099 4.550 -0.002 0.000 0.184 547 Y C 1.599 177.638 175.900 0.231 0.000 0.891 547 Y CA 1.134 59.330 58.100 0.159 0.000 1.736 547 Y CB 0.158 38.695 38.460 0.127 0.000 1.411 547 Y HN 0.693 nan 8.280 nan 0.000 0.402 548 A N 0.590 123.555 122.820 0.243 0.000 3.021 548 A HA -0.144 4.175 4.320 -0.002 0.000 0.257 548 A C 1.034 178.484 177.584 -0.224 0.000 1.277 548 A CA 0.823 52.930 52.037 0.116 0.000 1.012 548 A CB -2.586 16.529 19.000 0.192 0.000 1.147 548 A HN 1.036 nan 8.150 nan 0.000 0.861 549 G N -0.193 108.204 108.800 -0.672 0.000 2.690 549 G HA2 0.406 4.365 3.960 -0.002 0.000 0.239 549 G HA3 0.406 4.365 3.960 -0.002 0.000 0.239 549 G C -1.716 172.897 174.900 -0.478 0.000 1.233 549 G CA -0.107 44.234 45.100 -1.264 0.000 0.847 549 G HN 0.481 nan 8.290 nan 0.000 0.588 550 P HA 0.075 nan 4.420 nan 0.000 0.267 550 P C 0.568 177.755 177.300 -0.188 0.000 1.209 550 P CA 0.103 62.974 63.100 -0.383 0.000 0.763 550 P CB 0.826 31.963 31.700 -0.940 0.000 0.816 551 C N 2.286 121.530 119.300 -0.094 0.000 4.475 551 C HA -0.138 4.321 4.460 -0.002 0.000 0.280 551 C C 0.964 175.982 174.990 0.048 0.000 1.338 551 C CA 1.139 60.059 59.018 -0.165 0.000 1.893 551 C CB -2.642 24.841 27.740 -0.428 0.000 1.299 551 C HN 0.806 nan 8.230 nan 0.000 0.767 552 S N 0.083 115.873 115.700 0.150 0.000 2.632 552 S HA 0.601 5.070 4.470 -0.002 0.000 0.271 552 S C -0.659 174.106 174.600 0.275 0.000 1.260 552 S CA -0.037 58.330 58.200 0.279 0.000 1.010 552 S CB 1.735 65.154 63.200 0.365 0.000 0.965 552 S HN 0.791 nan 8.310 nan 0.000 0.534 553 Q N 0.143 120.128 119.800 0.308 0.000 2.275 553 Q HA 0.381 4.720 4.340 -0.002 0.000 0.266 553 Q C -0.601 175.520 176.000 0.200 0.000 1.002 553 Q CA -0.648 55.320 55.803 0.275 0.000 0.761 553 Q CB 1.084 30.027 28.738 0.342 0.000 1.255 553 Q HN 0.667 nan 8.270 nan 0.000 0.446 554 K N 1.240 121.758 120.400 0.197 0.000 2.355 554 K HA 0.336 4.655 4.320 -0.002 0.000 0.198 554 K C -0.509 176.196 176.600 0.175 0.000 1.039 554 K CA 0.261 56.657 56.287 0.182 0.000 1.075 554 K CB 1.491 34.127 32.500 0.227 0.000 0.870 554 K HN 0.511 nan 8.250 nan 0.000 0.540 555 A N 2.724 125.653 122.820 0.181 0.000 2.316 555 A HA 0.427 4.746 4.320 -0.002 0.000 0.324 555 A C -0.818 176.832 177.584 0.110 0.000 1.375 555 A CA -0.586 51.557 52.037 0.177 0.000 0.882 555 A CB 0.180 19.343 19.000 0.272 0.000 1.152 555 A HN 0.212 nan 8.150 nan 0.000 0.512 556 D N -0.002 120.434 120.400 0.059 0.000 2.744 556 D HA 0.471 5.110 4.640 -0.002 0.000 0.304 556 D C 0.452 176.746 176.300 -0.010 0.000 1.179 556 D CA 0.262 54.276 54.000 0.024 0.000 1.024 556 D CB 0.396 41.190 40.800 -0.010 0.000 1.453 556 D HN 0.161 nan 8.370 nan 0.000 0.529 557 T N -2.394 112.157 114.554 -0.005 0.000 3.186 557 T HA 0.334 4.683 4.350 -0.002 0.000 0.257 557 T C 0.347 174.987 174.700 -0.100 0.000 1.029 557 T CA -0.411 61.690 62.100 0.002 0.000 0.916 557 T CB -0.710 68.218 68.868 0.100 0.000 1.041 557 T HN 0.253 nan 8.240 nan 0.000 0.562 558 V N 2.409 122.159 119.914 -0.273 0.000 2.686 558 V HA 0.366 4.485 4.120 -0.002 0.000 0.295 558 V C -0.018 176.011 176.094 -0.108 0.000 1.055 558 V CA -0.999 61.110 62.300 -0.318 0.000 1.050 558 V CB 0.373 31.884 31.823 -0.521 0.000 0.984 558 V HN 0.573 nan 8.190 nan 0.000 0.482 559 F N 6.075 125.923 119.950 -0.170 0.000 2.411 559 F HA 0.588 5.113 4.527 -0.002 0.000 0.355 559 F C 0.425 176.167 175.800 -0.096 0.000 1.117 559 F CA -0.234 57.695 58.000 -0.120 0.000 1.139 559 F CB 0.315 39.252 39.000 -0.104 0.000 1.120 559 F HN 0.415 nan 8.300 nan 0.000 0.493 560 R N 6.492 126.515 120.500 -0.795 0.000 2.686 560 R HA 0.548 4.887 4.340 -0.002 0.000 0.283 560 R C -1.543 174.323 176.300 -0.723 0.000 0.978 560 R CA -1.036 54.731 56.100 -0.555 0.000 0.897 560 R CB 2.165 32.304 30.300 -0.268 0.000 1.192 560 R HN 0.670 nan 8.270 nan 0.000 0.457 561 L N 4.332 125.323 121.223 -0.387 0.000 2.301 561 L HA 0.403 4.742 4.340 -0.002 0.000 0.278 561 L C -0.553 176.301 176.870 -0.026 0.000 1.022 561 L CA -0.630 54.051 54.840 -0.266 0.000 0.854 561 L CB 0.481 42.523 42.059 -0.029 0.000 1.226 561 L HN 0.776 nan 8.230 nan 0.000 0.429 562 N N 0.516 119.129 118.700 -0.145 0.000 3.479 562 N HA 0.159 4.898 4.740 -0.002 0.000 0.336 562 N C 0.210 175.400 175.510 -0.533 0.000 1.623 562 N CA -0.849 52.049 53.050 -0.254 0.000 0.759 562 N CB 0.144 38.582 38.487 -0.081 0.000 2.016 562 N HN 0.296 nan 8.380 nan 0.000 0.637 563 W N 0.720 121.440 121.300 -0.966 0.000 2.358 563 W HA 0.165 4.824 4.660 -0.002 0.000 0.303 563 W C 2.132 178.601 176.519 -0.084 0.000 1.208 563 W CA 2.941 59.946 57.345 -0.567 0.000 1.274 563 W CB -1.066 28.228 29.460 -0.277 0.000 1.138 563 W HN 0.696 nan 8.180 nan 0.000 0.515 564 A N -0.428 122.358 122.820 -0.056 0.000 1.986 564 A HA -0.242 4.077 4.320 -0.002 0.000 0.220 564 A C 1.933 179.402 177.584 -0.192 0.000 1.171 564 A CA 2.622 54.566 52.037 -0.155 0.000 0.640 564 A CB -1.282 17.712 19.000 -0.009 0.000 0.811 564 A HN 0.329 nan 8.150 nan 0.000 0.451 565 T N -1.327 113.117 114.554 -0.182 0.000 2.674 565 T HA -0.189 4.160 4.350 -0.002 0.000 0.265 565 T C 1.815 176.497 174.700 -0.031 0.000 1.039 565 T CA 1.657 63.608 62.100 -0.248 0.000 1.150 565 T CB -0.520 67.988 68.868 -0.601 0.000 0.864 565 T HN 0.685 nan 8.240 nan 0.000 0.427 566 Y N 2.087 122.447 120.300 0.100 0.000 2.165 566 Y HA -0.086 4.463 4.550 -0.002 0.000 0.286 566 Y C 1.925 177.821 175.900 -0.007 0.000 1.155 566 Y CA 1.054 59.274 58.100 0.201 0.000 1.164 566 Y CB -0.745 37.829 38.460 0.191 0.000 0.978 566 Y HN 0.137 nan 8.280 nan 0.000 0.513 567 L N -0.090 120.722 121.223 -0.685 0.000 2.141 567 L HA -0.136 4.203 4.340 -0.002 0.000 0.209 567 L C 2.759 179.384 176.870 -0.409 0.000 1.094 567 L CA 1.087 55.453 54.840 -0.790 0.000 0.763 567 L CB -0.833 40.804 42.059 -0.703 0.000 0.908 567 L HN 0.415 nan 8.230 nan 0.000 0.437 568 A N -1.318 121.343 122.820 -0.266 0.000 1.903 568 A HA -0.137 4.182 4.320 -0.002 0.000 0.213 568 A C 2.498 180.024 177.584 -0.096 0.000 1.185 568 A CA 1.545 53.487 52.037 -0.158 0.000 0.628 568 A CB -0.406 18.497 19.000 -0.162 0.000 0.830 568 A HN 0.303 nan 8.150 nan 0.000 0.446 569 S N -1.080 114.577 115.700 -0.071 0.000 2.345 569 S HA -0.098 4.371 4.470 -0.002 0.000 0.219 569 S C 2.036 176.661 174.600 0.040 0.000 1.031 569 S CA 2.171 60.383 58.200 0.019 0.000 0.984 569 S CB -0.391 62.875 63.200 0.110 0.000 0.874 569 S HN 0.552 nan 8.310 nan 0.000 0.451 570 T N 1.400 115.952 114.554 -0.002 0.000 2.901 570 T HA 0.155 4.504 4.350 -0.002 0.000 0.252 570 T C 1.404 176.082 174.700 -0.035 0.000 1.035 570 T CA 0.717 62.834 62.100 0.029 0.000 1.142 570 T CB -0.136 68.824 68.868 0.152 0.000 0.869 570 T HN 0.306 nan 8.240 nan 0.000 0.442 571 E N 1.252 121.343 120.200 -0.181 0.000 2.474 571 E HA 0.154 4.503 4.350 -0.002 0.000 0.195 571 E C 0.100 176.688 176.600 -0.020 0.000 1.039 571 E CA -0.050 56.285 56.400 -0.109 0.000 0.881 571 E CB -0.058 29.520 29.700 -0.204 0.000 0.970 571 E HN 0.374 nan 8.360 nan 0.000 0.486 572 N N 0.763 119.462 118.700 -0.003 0.000 2.740 572 N HA -0.210 4.529 4.740 -0.002 0.000 0.248 572 N C -0.476 175.121 175.510 0.145 0.000 1.062 572 N CA 0.627 53.742 53.050 0.108 0.000 0.704 572 N CB -1.754 36.843 38.487 0.185 0.000 0.968 572 N HN 0.271 nan 8.380 nan 0.000 0.547 573 I N 1.051 121.640 120.570 0.033 0.000 2.353 573 I HA 0.304 4.473 4.170 -0.002 0.000 0.293 573 I C 1.106 177.218 176.117 -0.007 0.000 0.992 573 I CA -0.631 60.697 61.300 0.046 0.000 1.268 573 I CB 1.081 39.114 38.000 0.055 0.000 1.387 573 I HN -0.028 nan 8.210 nan 0.000 0.478 574 I N 6.451 127.028 120.570 0.012 0.000 2.416 574 I HA 0.139 4.308 4.170 -0.002 0.000 0.288 574 I C -0.389 175.728 176.117 0.001 0.000 1.051 574 I CA -0.391 60.876 61.300 -0.055 0.000 1.375 574 I CB 0.855 38.824 38.000 -0.052 0.000 1.407 574 I HN 0.200 nan 8.210 nan 0.000 0.516 575 V N 6.660 126.560 119.914 -0.024 0.000 2.313 575 V HA 0.530 4.649 4.120 -0.002 0.000 0.278 575 V C 0.404 176.543 176.094 0.075 0.000 1.017 575 V CA -0.532 61.801 62.300 0.057 0.000 0.823 575 V CB 1.018 32.864 31.823 0.039 0.000 1.010 575 V HN 0.829 nan 8.190 nan 0.000 0.443 576 A N 4.030 126.931 122.820 0.135 0.000 2.312 576 A HA 0.886 5.205 4.320 -0.002 0.000 0.326 576 A C 0.086 177.859 177.584 0.316 0.000 1.172 576 A CA -0.370 51.762 52.037 0.158 0.000 0.821 576 A CB 1.164 20.169 19.000 0.008 0.000 1.166 576 A HN 0.692 nan 8.150 nan 0.000 0.493 577 S N 0.181 116.101 115.700 0.367 0.000 2.568 577 S HA 0.801 5.270 4.470 -0.002 0.000 0.293 577 S C -1.315 173.642 174.600 0.594 0.000 1.089 577 S CA -0.321 58.129 58.200 0.418 0.000 0.945 577 S CB 1.348 64.731 63.200 0.304 0.000 1.077 577 S HN 0.762 nan 8.310 nan 0.000 0.485 578 F N 1.590 121.769 119.950 0.381 0.000 2.588 578 F HA 0.416 4.942 4.527 -0.002 0.000 0.314 578 F C -1.777 174.223 175.800 0.333 0.000 1.134 578 F CA -0.675 57.574 58.000 0.415 0.000 0.961 578 F CB 1.478 40.695 39.000 0.362 0.000 1.239 578 F HN 0.392 nan 8.300 nan 0.000 0.448 579 D N 4.758 124.957 120.400 -0.335 0.000 2.467 579 D HA 0.390 5.029 4.640 -0.002 0.000 0.220 579 D C 0.374 176.397 176.300 -0.461 0.000 1.103 579 D CA 0.167 54.052 54.000 -0.192 0.000 0.886 579 D CB 1.482 42.324 40.800 0.070 0.000 1.025 579 D HN 0.764 nan 8.370 nan 0.000 0.514 580 G N 1.333 109.954 108.800 -0.299 0.000 2.695 580 G HA2 0.298 4.257 3.960 -0.002 0.000 0.213 580 G HA3 0.298 4.257 3.960 -0.002 0.000 0.213 580 G C 0.131 175.017 174.900 -0.022 0.000 1.406 580 G CA -0.703 44.242 45.100 -0.259 0.000 1.049 580 G HN 0.278 nan 8.290 nan 0.000 0.573 581 R N -0.660 119.804 120.500 -0.061 0.000 2.623 581 R HA 0.383 4.722 4.340 -0.002 0.000 0.271 581 R C 1.203 177.585 176.300 0.136 0.000 1.043 581 R CA 1.292 57.452 56.100 0.100 0.000 1.083 581 R CB 0.563 30.902 30.300 0.066 0.000 0.974 581 R HN 1.043 nan 8.270 nan 0.000 0.436 582 G N 1.058 109.938 108.800 0.133 0.000 2.241 582 G HA2 -0.337 3.622 3.960 -0.002 0.000 0.244 582 G HA3 -0.337 3.622 3.960 -0.002 0.000 0.244 582 G C 0.207 175.140 174.900 0.056 0.000 0.998 582 G CA 0.250 45.415 45.100 0.108 0.000 0.621 582 G HN 0.726 nan 8.290 nan 0.000 0.519 583 S N 0.200 115.944 115.700 0.072 0.000 2.608 583 S HA 0.665 5.134 4.470 -0.002 0.000 0.261 583 S C 0.807 175.395 174.600 -0.019 0.000 1.314 583 S CA 0.470 58.707 58.200 0.061 0.000 0.992 583 S CB 1.750 65.019 63.200 0.116 0.000 0.935 583 S HN 1.692 nan 8.310 nan 0.000 0.564 584 G N -1.159 107.595 108.800 -0.077 0.000 2.552 584 G HA2 0.519 4.478 3.960 -0.002 0.000 0.324 584 G HA3 0.519 4.478 3.960 -0.002 0.000 0.324 584 G C -1.021 173.744 174.900 -0.225 0.000 1.217 584 G CA -1.018 43.853 45.100 -0.381 0.000 0.989 584 G HN 0.993 nan 8.290 nan 0.000 0.490 585 Y N -2.462 117.832 120.300 -0.010 0.000 4.729 585 Y HA -0.220 4.329 4.550 -0.002 0.000 0.239 585 Y C 1.413 177.319 175.900 0.010 0.000 1.043 585 Y CA 1.013 59.117 58.100 0.006 0.000 2.045 585 Y CB -2.110 36.371 38.460 0.036 0.000 1.599 585 Y HN 0.543 nan 8.280 nan 0.000 0.655 586 Q N 0.036 119.857 119.800 0.035 0.000 2.127 586 Q HA 0.512 4.851 4.340 -0.002 0.000 0.222 586 Q C 0.970 176.876 176.000 -0.156 0.000 0.794 586 Q CA 0.273 56.107 55.803 0.051 0.000 1.010 586 Q CB 1.798 30.564 28.738 0.046 0.000 1.170 586 Q HN 0.598 nan 8.270 nan 0.000 0.479 587 G N 0.600 109.166 108.800 -0.390 0.000 2.619 587 G HA2 -0.171 3.788 3.960 -0.002 0.000 0.686 587 G HA3 -0.171 3.788 3.960 -0.002 0.000 0.686 587 G C -0.577 173.945 174.900 -0.630 0.000 1.256 587 G CA -0.539 44.051 45.100 -0.849 0.000 0.826 587 G HN 0.066 nan 8.290 nan 0.000 0.619 588 D N -0.048 119.941 120.400 -0.684 0.000 2.224 588 D HA -0.048 4.591 4.640 -0.002 0.000 0.205 588 D C 2.266 178.295 176.300 -0.452 0.000 0.965 588 D CA 1.388 54.954 54.000 -0.724 0.000 0.852 588 D CB 0.054 40.424 40.800 -0.718 0.000 0.947 588 D HN 0.526 nan 8.370 nan 0.000 0.494 589 K N 0.855 121.049 120.400 -0.344 0.000 2.103 589 K HA -0.095 4.224 4.320 -0.002 0.000 0.207 589 K C 1.882 178.411 176.600 -0.118 0.000 1.048 589 K CA 1.017 57.192 56.287 -0.186 0.000 0.930 589 K CB -0.248 32.154 32.500 -0.163 0.000 0.716 589 K HN 0.137 nan 8.250 nan 0.000 0.444 590 I N -0.388 120.100 120.570 -0.138 0.000 2.339 590 I HA -0.103 4.066 4.170 -0.002 0.000 0.245 590 I C 2.532 178.633 176.117 -0.026 0.000 1.096 590 I CA 0.869 62.160 61.300 -0.014 0.000 1.408 590 I CB -0.134 37.886 38.000 0.034 0.000 1.092 590 I HN 0.250 nan 8.210 nan 0.000 0.423 591 M N 0.103 119.604 119.600 -0.164 0.000 2.132 591 M HA -0.202 4.277 4.480 -0.002 0.000 0.263 591 M C 1.984 178.276 176.300 -0.012 0.000 1.065 591 M CA 1.829 57.040 55.300 -0.148 0.000 1.122 591 M CB -0.181 32.211 32.600 -0.347 0.000 1.365 591 M HN 0.243 nan 8.290 nan 0.000 0.411 592 H N -0.167 118.780 119.070 -0.205 0.000 2.547 592 H HA 0.248 4.803 4.556 -0.002 0.000 0.266 592 H C 1.859 177.192 175.328 0.009 0.000 0.988 592 H CA 0.698 56.632 56.048 -0.190 0.000 1.147 592 H CB -0.539 29.035 29.762 -0.314 0.000 1.365 592 H HN 0.480 nan 8.280 nan 0.000 0.589 593 A N 0.490 123.400 122.820 0.150 0.000 2.076 593 A HA -0.137 4.182 4.320 -0.002 0.000 0.220 593 A C 2.055 179.842 177.584 0.338 0.000 1.160 593 A CA 1.225 53.364 52.037 0.169 0.000 0.653 593 A CB -0.423 18.624 19.000 0.079 0.000 0.801 593 A HN 0.300 nan 8.150 nan 0.000 0.455 594 I N -0.600 120.155 120.570 0.308 0.000 3.956 594 I HA 0.100 4.269 4.170 -0.002 0.000 0.333 594 I C 0.497 176.735 176.117 0.201 0.000 1.302 594 I CA -0.355 61.106 61.300 0.268 0.000 1.122 594 I CB -0.373 37.757 38.000 0.216 0.000 1.013 594 I HN 0.270 nan 8.210 nan 0.000 0.405 595 N N 1.836 120.691 118.700 0.258 0.000 2.292 595 N HA -0.114 4.625 4.740 -0.002 0.000 0.258 595 N C 0.501 176.058 175.510 0.079 0.000 1.261 595 N CA 0.718 53.905 53.050 0.229 0.000 0.845 595 N CB 0.142 38.714 38.487 0.141 0.000 1.064 595 N HN 0.159 nan 8.380 nan 0.000 0.471 596 R N 0.724 121.250 120.500 0.044 0.000 3.946 596 R HA -0.237 4.102 4.340 -0.002 0.000 0.329 596 R C -0.251 175.959 176.300 -0.150 0.000 1.209 596 R CA 0.981 57.064 56.100 -0.027 0.000 0.909 596 R CB -1.181 29.116 30.300 -0.005 0.000 1.355 596 R HN 0.657 nan 8.270 nan 0.000 0.539 597 R N 0.422 120.814 120.500 -0.180 0.000 2.579 597 R HA 0.231 4.570 4.340 -0.002 0.000 0.386 597 R C -0.364 175.883 176.300 -0.089 0.000 1.065 597 R CA -0.312 55.520 56.100 -0.447 0.000 1.143 597 R CB 0.567 30.629 30.300 -0.397 0.000 1.357 597 R HN 0.023 nan 8.270 nan 0.000 0.644 598 L N -0.026 121.259 121.223 0.103 0.000 2.461 598 L HA 0.156 4.495 4.340 -0.002 0.000 0.272 598 L C 1.361 178.480 176.870 0.416 0.000 1.197 598 L CA 0.974 55.914 54.840 0.167 0.000 0.836 598 L CB 0.561 42.507 42.059 -0.188 0.000 1.105 598 L HN 0.614 nan 8.230 nan 0.000 0.477 599 G N 1.023 110.080 108.800 0.429 0.000 2.147 599 G HA2 -0.285 3.674 3.960 -0.002 0.000 0.244 599 G HA3 -0.285 3.674 3.960 -0.002 0.000 0.244 599 G C 0.434 175.414 174.900 0.133 0.000 1.005 599 G CA 0.541 45.828 45.100 0.313 0.000 0.713 599 G HN 0.832 nan 8.290 nan 0.000 0.515 600 T N -3.326 111.264 114.554 0.060 0.000 3.066 600 T HA 0.474 4.823 4.350 -0.002 0.000 0.176 600 T C 1.640 176.302 174.700 -0.063 0.000 0.826 600 T CA 0.872 62.893 62.100 -0.132 0.000 1.280 600 T CB -0.070 68.505 68.868 -0.488 0.000 2.214 600 T HN 0.136 nan 8.240 nan 0.000 0.399 601 F N 3.384 123.372 119.950 0.063 0.000 2.202 601 F HA 0.059 4.585 4.527 -0.002 0.000 0.301 601 F C 2.791 178.619 175.800 0.047 0.000 1.082 601 F CA 1.181 59.205 58.000 0.041 0.000 1.313 601 F CB -0.682 38.339 39.000 0.034 0.000 1.024 601 F HN 0.531 nan 8.300 nan 0.000 0.495 602 E N 0.604 120.951 120.200 0.246 0.000 2.204 602 E HA -0.111 4.238 4.350 -0.002 0.000 0.194 602 E C 2.054 178.750 176.600 0.161 0.000 0.989 602 E CA 1.391 57.913 56.400 0.202 0.000 0.824 602 E CB -0.872 28.960 29.700 0.220 0.000 0.756 602 E HN 0.314 nan 8.360 nan 0.000 0.477 603 V N 1.561 121.542 119.914 0.113 0.000 2.346 603 V HA -0.169 3.950 4.120 -0.002 0.000 0.244 603 V C 2.354 178.475 176.094 0.044 0.000 1.037 603 V CA 1.840 64.162 62.300 0.037 0.000 1.029 603 V CB -0.555 31.245 31.823 -0.038 0.000 0.663 603 V HN 0.174 nan 8.190 nan 0.000 0.454 604 E N 0.337 120.578 120.200 0.068 0.000 2.049 604 E HA -0.287 4.062 4.350 -0.002 0.000 0.198 604 E C 1.970 178.594 176.600 0.040 0.000 1.007 604 E CA 1.868 58.308 56.400 0.067 0.000 0.809 604 E CB -0.212 29.565 29.700 0.128 0.000 0.749 604 E HN 0.576 nan 8.360 nan 0.000 0.450 605 D N 0.126 120.564 120.400 0.064 0.000 2.117 605 D HA -0.155 4.484 4.640 -0.002 0.000 0.197 605 D C 2.034 178.306 176.300 -0.047 0.000 0.987 605 D CA 0.852 54.865 54.000 0.022 0.000 0.829 605 D CB -0.198 40.664 40.800 0.103 0.000 0.961 605 D HN 0.118 nan 8.370 nan 0.000 0.460 606 Q N 0.035 119.872 119.800 0.062 0.000 2.124 606 Q HA -0.077 4.262 4.340 -0.002 0.000 0.202 606 Q C 2.569 178.577 176.000 0.013 0.000 0.977 606 Q CA 0.588 56.421 55.803 0.050 0.000 0.850 606 Q CB -0.198 28.612 28.738 0.121 0.000 0.901 606 Q HN 0.436 nan 8.270 nan 0.000 0.429 607 I N 0.802 121.400 120.570 0.047 0.000 2.179 607 I HA -0.244 3.925 4.170 -0.002 0.000 0.242 607 I C 2.443 178.501 176.117 -0.098 0.000 1.088 607 I CA 1.033 62.391 61.300 0.096 0.000 1.357 607 I CB -0.231 37.824 38.000 0.090 0.000 1.051 607 I HN 0.106 nan 8.210 nan 0.000 0.409 608 E N 0.993 121.088 120.200 -0.176 0.000 2.051 608 E HA -0.225 4.124 4.350 -0.002 0.000 0.192 608 E C 2.321 178.615 176.600 -0.511 0.000 0.991 608 E CA 1.538 57.771 56.400 -0.278 0.000 0.799 608 E CB -0.320 29.244 29.700 -0.227 0.000 0.748 608 E HN 0.470 nan 8.360 nan 0.000 0.449 609 A N 1.436 123.782 122.820 -0.790 0.000 1.884 609 A HA -0.244 4.075 4.320 -0.002 0.000 0.219 609 A C 2.456 179.278 177.584 -1.271 0.000 1.197 609 A CA 2.881 54.108 52.037 -1.349 0.000 0.637 609 A CB -0.895 17.118 19.000 -1.644 0.000 0.827 609 A HN 0.318 nan 8.150 nan 0.000 0.450 610 A N -0.839 121.614 122.820 -0.612 0.000 1.883 610 A HA -0.190 4.129 4.320 -0.002 0.000 0.217 610 A C 2.266 179.630 177.584 -0.367 0.000 1.186 610 A CA 1.670 53.506 52.037 -0.334 0.000 0.624 610 A CB -0.533 18.377 19.000 -0.150 0.000 0.822 610 A HN 0.549 nan 8.150 nan 0.000 0.444 611 R N -0.699 119.584 120.500 -0.362 0.000 2.096 611 R HA -0.170 4.169 4.340 -0.002 0.000 0.240 611 R C 2.516 178.650 176.300 -0.276 0.000 1.139 611 R CA 1.724 57.654 56.100 -0.283 0.000 0.952 611 R CB -0.346 29.815 30.300 -0.230 0.000 0.854 611 R HN 0.645 nan 8.270 nan 0.000 0.436 612 Q N -0.408 119.164 119.800 -0.379 0.000 2.096 612 Q HA -0.175 4.164 4.340 -0.002 0.000 0.204 612 Q C 2.017 177.896 176.000 -0.202 0.000 0.982 612 Q CA 1.370 56.978 55.803 -0.324 0.000 0.850 612 Q CB -0.217 28.263 28.738 -0.429 0.000 0.901 612 Q HN 0.319 nan 8.270 nan 0.000 0.422 613 F N 1.077 120.863 119.950 -0.274 0.000 2.234 613 F HA -0.069 4.457 4.527 -0.002 0.000 0.299 613 F C 2.551 178.171 175.800 -0.299 0.000 1.087 613 F CA 0.463 58.285 58.000 -0.297 0.000 1.340 613 F CB -0.952 37.906 39.000 -0.237 0.000 1.031 613 F HN -0.061 nan 8.300 nan 0.000 0.500 614 S N 0.322 115.972 115.700 -0.083 0.000 2.353 614 S HA -0.214 4.255 4.470 -0.002 0.000 0.222 614 S C 1.823 176.334 174.600 -0.148 0.000 1.035 614 S CA 1.372 59.493 58.200 -0.132 0.000 1.025 614 S CB -0.411 62.700 63.200 -0.149 0.000 0.902 614 S HN 0.349 nan 8.310 nan 0.000 0.440 615 K N 0.542 120.859 120.400 -0.138 0.000 2.519 615 K HA 0.072 4.391 4.320 -0.002 0.000 0.196 615 K C 0.231 176.748 176.600 -0.138 0.000 1.041 615 K CA 0.444 56.659 56.287 -0.120 0.000 0.954 615 K CB -0.241 32.199 32.500 -0.101 0.000 0.774 615 K HN 0.399 nan 8.250 nan 0.000 0.480 616 M N 0.031 119.502 119.600 -0.215 0.000 2.211 616 M HA 0.055 4.534 4.480 -0.002 0.000 0.356 616 M C 1.423 177.476 176.300 -0.412 0.000 1.216 616 M CA -0.093 54.995 55.300 -0.354 0.000 1.134 616 M CB 1.328 33.539 32.600 -0.648 0.000 1.564 616 M HN 0.161 nan 8.290 nan 0.000 0.463 617 G N 2.472 111.139 108.800 -0.222 0.000 2.559 617 G HA2 -0.142 3.817 3.960 -0.002 0.000 0.216 617 G HA3 -0.142 3.817 3.960 -0.002 0.000 0.216 617 G C 0.700 175.600 174.900 0.000 0.000 1.126 617 G CA 0.428 45.487 45.100 -0.069 0.000 0.778 617 G HN 0.806 nan 8.290 nan 0.000 0.543 618 F N -0.779 119.229 119.950 0.096 0.000 2.664 618 F HA 0.628 5.154 4.527 -0.002 0.000 0.303 618 F C -0.140 175.798 175.800 0.230 0.000 1.092 618 F CA -1.281 56.822 58.000 0.170 0.000 1.305 618 F CB -0.022 39.140 39.000 0.269 0.000 1.054 618 F HN -0.178 nan 8.300 nan 0.000 0.565 619 V N 1.315 121.209 119.914 -0.034 0.000 2.555 619 V HA 0.249 4.368 4.120 -0.002 0.000 0.302 619 V C -0.943 175.128 176.094 -0.039 0.000 1.038 619 V CA -0.792 61.506 62.300 -0.002 0.000 0.887 619 V CB 1.791 33.534 31.823 -0.132 0.000 0.991 619 V HN 0.063 nan 8.190 nan 0.000 0.434 620 D N 2.863 123.238 120.400 -0.040 0.000 2.380 620 D HA 0.120 4.759 4.640 -0.002 0.000 0.230 620 D C 1.150 177.390 176.300 -0.099 0.000 1.154 620 D CA -0.195 53.755 54.000 -0.085 0.000 0.859 620 D CB 0.598 41.328 40.800 -0.115 0.000 1.045 620 D HN 0.723 nan 8.370 nan 0.000 0.495 621 N N 2.457 121.102 118.700 -0.091 0.000 2.521 621 N HA -0.077 4.662 4.740 -0.002 0.000 0.188 621 N C 0.756 176.217 175.510 -0.082 0.000 1.146 621 N CA 0.108 53.099 53.050 -0.098 0.000 0.893 621 N CB 0.274 38.698 38.487 -0.106 0.000 0.975 621 N HN 0.187 nan 8.380 nan 0.000 0.451 622 K N 0.106 120.466 120.400 -0.067 0.000 2.379 622 K HA 0.161 4.480 4.320 -0.002 0.000 0.194 622 K C 0.269 176.865 176.600 -0.006 0.000 1.031 622 K CA 0.286 56.552 56.287 -0.035 0.000 1.037 622 K CB 0.441 32.923 32.500 -0.031 0.000 0.824 622 K HN 0.144 nan 8.250 nan 0.000 0.516 623 R N 1.286 121.750 120.500 -0.060 0.000 2.748 623 R HA 0.340 4.679 4.340 -0.002 0.000 0.283 623 R C -1.012 175.219 176.300 -0.115 0.000 1.507 623 R CA -0.134 55.912 56.100 -0.092 0.000 1.666 623 R CB 0.531 30.594 30.300 -0.396 0.000 1.237 623 R HN 0.006 nan 8.270 nan 0.000 0.633 624 I N 1.149 121.793 120.570 0.124 0.000 2.362 624 I HA 0.494 4.663 4.170 -0.002 0.000 0.289 624 I C 0.135 176.556 176.117 0.507 0.000 0.994 624 I CA -0.694 60.740 61.300 0.223 0.000 1.158 624 I CB 1.869 39.861 38.000 -0.012 0.000 1.315 624 I HN 0.288 nan 8.210 nan 0.000 0.451 625 A N 7.155 130.383 122.820 0.681 0.000 2.313 625 A HA 0.915 5.234 4.320 -0.002 0.000 0.323 625 A C -0.939 176.991 177.584 0.578 0.000 1.133 625 A CA -0.655 51.735 52.037 0.589 0.000 0.847 625 A CB 1.839 21.058 19.000 0.365 0.000 1.308 625 A HN 0.742 nan 8.150 nan 0.000 0.475 626 I N 0.255 121.065 120.570 0.401 0.000 2.722 626 I HA 0.703 4.872 4.170 -0.002 0.000 0.295 626 I C -1.968 174.390 176.117 0.402 0.000 1.161 626 I CA -0.629 60.833 61.300 0.270 0.000 1.032 626 I CB 1.734 39.599 38.000 -0.225 0.000 1.244 626 I HN 0.931 nan 8.210 nan 0.000 0.421 627 W N 7.115 128.534 121.300 0.197 0.000 3.213 627 W HA 0.813 5.472 4.660 -0.002 0.000 0.318 627 W C -1.656 175.007 176.519 0.240 0.000 1.248 627 W CA -0.961 56.516 57.345 0.220 0.000 1.187 627 W CB 1.108 30.753 29.460 0.309 0.000 1.403 627 W HN 0.825 nan 8.180 nan 0.000 0.556 628 G N 1.420 110.084 108.800 -0.226 0.000 2.673 628 G HA2 0.492 4.451 3.960 -0.002 0.000 0.292 628 G HA3 0.492 4.451 3.960 -0.002 0.000 0.292 628 G C -2.677 172.116 174.900 -0.178 0.000 1.450 628 G CA -0.680 44.155 45.100 -0.442 0.000 0.837 628 G HN 0.579 nan 8.290 nan 0.000 0.505 629 W N 1.412 122.552 121.300 -0.268 0.000 2.639 629 W HA 0.501 5.160 4.660 -0.002 0.000 0.347 629 W C 1.398 177.957 176.519 0.067 0.000 1.067 629 W CA 0.366 57.669 57.345 -0.070 0.000 1.218 629 W CB 1.885 31.312 29.460 -0.055 0.000 1.393 629 W HN 1.383 nan 8.180 nan 0.000 0.557 630 S N 2.201 118.180 115.700 0.464 0.000 4.155 630 S HA -0.485 3.984 4.470 -0.002 0.000 0.538 630 S C 1.227 175.928 174.600 0.168 0.000 1.583 630 S CA 2.048 60.489 58.200 0.400 0.000 3.950 630 S CB -1.716 61.916 63.200 0.719 0.000 1.452 630 S HN 0.722 nan 8.310 nan 0.000 0.461 631 Y N 3.639 123.925 120.300 -0.024 0.000 2.207 631 Y HA 0.076 4.625 4.550 -0.002 0.000 0.287 631 Y C 2.812 178.611 175.900 -0.167 0.000 1.156 631 Y CA 2.026 60.002 58.100 -0.207 0.000 1.182 631 Y CB -1.112 37.009 38.460 -0.565 0.000 0.979 631 Y HN 0.645 nan 8.280 nan 0.000 0.521 632 G N -1.124 107.672 108.800 -0.008 0.000 2.422 632 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.218 632 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.218 632 G C 1.914 176.827 174.900 0.023 0.000 1.140 632 G CA 0.699 45.827 45.100 0.047 0.000 0.775 632 G HN 0.567 nan 8.290 nan 0.000 0.545 633 G N -0.220 108.603 108.800 0.039 0.000 2.422 633 G HA2 -0.215 3.744 3.960 -0.002 0.000 0.218 633 G HA3 -0.215 3.744 3.960 -0.002 0.000 0.218 633 G C 1.589 176.504 174.900 0.024 0.000 1.140 633 G CA 1.049 46.164 45.100 0.025 0.000 0.775 633 G HN 0.439 nan 8.290 nan 0.000 0.545 634 Y N 1.278 121.479 120.300 -0.164 0.000 2.163 634 Y HA -0.085 4.464 4.550 -0.002 0.000 0.288 634 Y C 2.693 178.489 175.900 -0.173 0.000 1.136 634 Y CA 1.536 59.486 58.100 -0.249 0.000 1.147 634 Y CB -0.366 37.800 38.460 -0.491 0.000 0.987 634 Y HN 0.027 nan 8.280 nan 0.000 0.509 635 V N -0.300 119.464 119.914 -0.251 0.000 2.307 635 V HA -0.292 3.827 4.120 -0.002 0.000 0.245 635 V C 2.318 178.283 176.094 -0.215 0.000 1.045 635 V CA 2.346 64.490 62.300 -0.259 0.000 1.024 635 V CB -1.177 30.643 31.823 -0.005 0.000 0.651 635 V HN 0.475 nan 8.190 nan 0.000 0.449 636 T N 0.277 114.758 114.554 -0.122 0.000 2.624 636 T HA -0.242 4.107 4.350 -0.002 0.000 0.268 636 T C 2.116 176.730 174.700 -0.142 0.000 1.041 636 T CA 2.218 64.255 62.100 -0.106 0.000 1.159 636 T CB -0.328 68.558 68.868 0.029 0.000 0.863 636 T HN 0.550 nan 8.240 nan 0.000 0.434 637 S N 0.995 116.643 115.700 -0.087 0.000 2.368 637 S HA -0.018 4.451 4.470 -0.002 0.000 0.225 637 S C 2.139 176.635 174.600 -0.173 0.000 1.030 637 S CA 0.970 59.134 58.200 -0.060 0.000 0.999 637 S CB -0.288 62.941 63.200 0.048 0.000 0.844 637 S HN 0.327 nan 8.310 nan 0.000 0.459 638 M N 0.984 120.405 119.600 -0.298 0.000 2.175 638 M HA -0.015 4.464 4.480 -0.002 0.000 0.264 638 M C 2.227 178.361 176.300 -0.276 0.000 1.063 638 M CA 1.012 56.123 55.300 -0.314 0.000 1.119 638 M CB -1.395 30.923 32.600 -0.470 0.000 1.377 638 M HN 0.179 nan 8.290 nan 0.000 0.415 639 V N 0.779 120.521 119.914 -0.287 0.000 2.261 639 V HA -0.246 3.873 4.120 -0.002 0.000 0.246 639 V C 2.533 178.423 176.094 -0.339 0.000 1.047 639 V CA 1.436 63.566 62.300 -0.283 0.000 1.015 639 V CB -0.683 30.914 31.823 -0.376 0.000 0.642 639 V HN 0.409 nan 8.190 nan 0.000 0.446 640 L N 0.454 121.404 121.223 -0.454 0.000 2.187 640 L HA -0.099 4.240 4.340 -0.002 0.000 0.213 640 L C 2.243 178.551 176.870 -0.937 0.000 1.100 640 L CA 1.534 56.003 54.840 -0.618 0.000 0.765 640 L CB -0.793 40.850 42.059 -0.692 0.000 0.904 640 L HN 0.507 nan 8.230 nan 0.000 0.437 641 G N -1.350 106.933 108.800 -0.861 0.000 3.042 641 G HA2 -0.059 3.900 3.960 -0.002 0.000 0.212 641 G HA3 -0.059 3.900 3.960 -0.002 0.000 0.212 641 G C 1.543 176.269 174.900 -0.290 0.000 1.166 641 G CA 0.593 45.296 45.100 -0.661 0.000 0.767 641 G HN 0.449 nan 8.290 nan 0.000 0.546 642 S N -0.594 114.960 115.700 -0.243 0.000 2.470 642 S HA 0.300 4.769 4.470 -0.002 0.000 0.225 642 S C 1.923 176.470 174.600 -0.087 0.000 1.006 642 S CA 1.058 59.183 58.200 -0.126 0.000 0.934 642 S CB -0.132 63.015 63.200 -0.088 0.000 0.778 642 S HN 1.367 nan 8.310 nan 0.000 0.517 643 G N 1.366 110.105 108.800 -0.103 0.000 2.147 643 G HA2 -0.321 3.638 3.960 -0.002 0.000 0.244 643 G HA3 -0.321 3.638 3.960 -0.002 0.000 0.244 643 G C 0.902 175.785 174.900 -0.029 0.000 1.005 643 G CA 0.869 45.933 45.100 -0.061 0.000 0.713 643 G HN 1.246 nan 8.290 nan 0.000 0.515 644 S N -0.920 114.773 115.700 -0.010 0.000 2.428 644 S HA 0.305 4.774 4.470 -0.002 0.000 0.230 644 S C 2.569 177.162 174.600 -0.010 0.000 1.014 644 S CA 1.639 59.843 58.200 0.006 0.000 0.957 644 S CB -0.181 63.053 63.200 0.057 0.000 0.784 644 S HN 2.405 nan 8.310 nan 0.000 0.499 645 G N 0.107 108.909 108.800 0.003 0.000 2.184 645 G HA2 -0.300 3.659 3.960 -0.002 0.000 0.264 645 G HA3 -0.300 3.659 3.960 -0.002 0.000 0.264 645 G C 0.781 175.649 174.900 -0.052 0.000 0.975 645 G CA 0.405 45.497 45.100 -0.014 0.000 0.642 645 G HN 0.690 nan 8.290 nan 0.000 0.536 646 V N -0.460 119.390 119.914 -0.107 0.000 2.591 646 V HA 0.251 4.370 4.120 -0.002 0.000 0.249 646 V C 1.151 176.969 176.094 -0.461 0.000 1.053 646 V CA 1.515 63.592 62.300 -0.372 0.000 1.068 646 V CB -0.376 31.062 31.823 -0.641 0.000 0.689 646 V HN 0.313 nan 8.190 nan 0.000 0.462 647 F N -0.163 119.796 119.950 0.014 0.000 2.436 647 F HA 0.421 4.946 4.527 -0.002 0.000 0.340 647 F C 1.062 176.904 175.800 0.070 0.000 1.113 647 F CA -0.658 57.379 58.000 0.061 0.000 1.022 647 F CB 1.502 40.539 39.000 0.062 0.000 1.128 647 F HN -0.268 nan 8.300 nan 0.000 0.466 648 K N 1.697 122.258 120.400 0.269 0.000 2.076 648 K HA 0.047 4.366 4.320 -0.002 0.000 0.204 648 K C 0.122 176.850 176.600 0.213 0.000 1.051 648 K CA 1.100 57.508 56.287 0.201 0.000 0.949 648 K CB 0.219 32.840 32.500 0.202 0.000 0.726 648 K HN 0.814 nan 8.250 nan 0.000 0.443 649 c N -2.840 115.922 118.600 0.270 0.000 3.323 649 c HA 0.916 5.485 4.570 -0.002 0.000 0.324 649 c C -0.255 174.057 174.090 0.369 0.000 1.428 649 c CA -0.485 56.023 56.329 0.300 0.000 1.368 649 c CB 1.148 43.748 42.510 0.151 0.000 1.731 649 c HN 0.391 nan 8.230 nan 0.000 0.455 650 G N 0.055 109.148 108.800 0.487 0.000 2.632 650 G HA2 0.664 4.623 3.960 -0.002 0.000 0.292 650 G HA3 0.664 4.623 3.960 -0.002 0.000 0.292 650 G C -1.950 173.196 174.900 0.411 0.000 1.465 650 G CA -0.679 44.672 45.100 0.419 0.000 0.824 650 G HN 1.027 nan 8.290 nan 0.000 0.509 651 I N 0.635 121.410 120.570 0.341 0.000 2.465 651 I HA 0.647 4.816 4.170 -0.002 0.000 0.291 651 I C 0.192 176.451 176.117 0.237 0.000 1.014 651 I CA -1.052 60.344 61.300 0.161 0.000 1.093 651 I CB 2.286 40.360 38.000 0.123 0.000 1.267 651 I HN 0.660 nan 8.210 nan 0.000 0.431 652 A N 6.394 129.266 122.820 0.087 0.000 2.291 652 A HA 0.753 5.072 4.320 -0.002 0.000 0.311 652 A C -0.709 176.802 177.584 -0.123 0.000 1.224 652 A CA -0.511 51.560 52.037 0.058 0.000 0.821 652 A CB 1.044 20.140 19.000 0.160 0.000 1.172 652 A HN 0.452 nan 8.150 nan 0.000 0.494 653 V N 2.118 121.902 119.914 -0.217 0.000 2.370 653 V HA 0.568 4.687 4.120 -0.002 0.000 0.283 653 V C 0.992 176.730 176.094 -0.594 0.000 1.023 653 V CA 0.325 62.282 62.300 -0.572 0.000 0.857 653 V CB 0.717 31.840 31.823 -1.166 0.000 0.985 653 V HN 2.090 nan 8.190 nan 0.000 0.443 654 A N 5.517 127.976 122.820 -0.602 0.000 2.560 654 A HA -0.104 4.215 4.320 -0.002 0.000 0.299 654 A C -1.691 175.754 177.584 -0.232 0.000 1.484 654 A CA 0.392 51.987 52.037 -0.737 0.000 0.749 654 A CB -1.640 17.055 19.000 -0.508 0.000 1.072 654 A HN 0.633 nan 8.150 nan 0.000 0.426 655 P HA 0.403 nan 4.420 nan 0.000 0.277 655 P C 0.265 177.531 177.300 -0.055 0.000 1.240 655 P CA -0.155 62.926 63.100 -0.031 0.000 0.798 655 P CB 1.141 32.846 31.700 0.009 0.000 0.979 656 V N 2.171 121.949 119.914 -0.227 0.000 2.686 656 V HA 0.067 4.186 4.120 -0.002 0.000 0.295 656 V C 1.714 177.604 176.094 -0.340 0.000 1.055 656 V CA 0.974 62.983 62.300 -0.486 0.000 1.050 656 V CB 0.712 31.831 31.823 -1.174 0.000 0.984 656 V HN 0.830 nan 8.190 nan 0.000 0.482 657 S N 3.524 119.045 115.700 -0.299 0.000 2.575 657 S HA 0.317 4.786 4.470 -0.002 0.000 0.230 657 S C 0.552 174.976 174.600 -0.292 0.000 1.062 657 S CA -0.376 57.730 58.200 -0.157 0.000 0.913 657 S CB 0.391 63.565 63.200 -0.042 0.000 0.837 657 S HN 0.672 nan 8.310 nan 0.000 0.487 658 R N -0.841 119.351 120.500 -0.514 0.000 2.522 658 R HA 0.330 4.669 4.340 -0.002 0.000 0.273 658 R C -1.152 174.797 176.300 -0.586 0.000 1.133 658 R CA -0.640 55.109 56.100 -0.584 0.000 0.969 658 R CB 0.597 30.428 30.300 -0.782 0.000 1.235 658 R HN 0.271 nan 8.270 nan 0.000 0.433 659 W N 1.925 123.120 121.300 -0.174 0.000 2.465 659 W HA -0.035 4.625 4.660 -0.001 0.000 0.268 659 W C 1.282 177.922 176.519 0.202 0.000 1.242 659 W CA 0.512 57.838 57.345 -0.032 0.000 1.248 659 W CB 0.391 29.721 29.460 -0.216 0.000 1.118 659 W HN 0.707 nan 8.180 nan 0.000 0.587 660 E N -0.941 119.444 120.200 0.308 0.000 2.333 660 E HA -0.200 4.149 4.350 -0.002 0.000 0.198 660 E C 1.326 178.081 176.600 0.259 0.000 1.007 660 E CA 0.998 57.529 56.400 0.219 0.000 0.845 660 E CB -0.272 29.445 29.700 0.029 0.000 0.766 660 E HN 0.361 nan 8.360 nan 0.000 0.507 661 Y N -1.509 118.893 120.300 0.171 0.000 2.490 661 Y HA 0.063 4.612 4.550 -0.002 0.000 0.285 661 Y C 0.774 176.814 175.900 0.233 0.000 1.117 661 Y CA -0.321 57.860 58.100 0.135 0.000 1.262 661 Y CB -0.493 37.985 38.460 0.030 0.000 1.043 661 Y HN 0.026 nan 8.280 nan 0.000 0.553 662 Y N 2.071 122.546 120.300 0.292 0.000 2.340 662 Y HA 0.279 4.828 4.550 -0.002 0.000 0.327 662 Y C 0.327 176.447 175.900 0.365 0.000 1.321 662 Y CA -2.004 56.273 58.100 0.295 0.000 1.433 662 Y CB 0.304 38.946 38.460 0.304 0.000 1.373 662 Y HN 0.189 nan 8.280 nan 0.000 0.538 663 D N -0.645 119.447 120.400 -0.514 0.000 2.357 663 D HA 0.111 4.750 4.640 -0.002 0.000 0.242 663 D C 0.976 177.223 176.300 -0.088 0.000 1.153 663 D CA 0.291 54.055 54.000 -0.392 0.000 0.918 663 D CB 0.911 41.232 40.800 -0.798 0.000 1.181 663 D HN 0.476 nan 8.370 nan 0.000 0.435 664 S N 0.936 116.605 115.700 -0.052 0.000 2.359 664 S HA -0.228 4.241 4.470 -0.002 0.000 0.224 664 S C 1.853 176.470 174.600 0.029 0.000 1.035 664 S CA 1.298 59.527 58.200 0.047 0.000 1.018 664 S CB -0.988 62.250 63.200 0.064 0.000 0.876 664 S HN 0.434 nan 8.310 nan 0.000 0.448 665 V N 0.523 120.395 119.914 -0.069 0.000 2.358 665 V HA -0.108 4.011 4.120 -0.002 0.000 0.246 665 V C 2.310 178.315 176.094 -0.149 0.000 1.047 665 V CA 1.967 64.144 62.300 -0.205 0.000 1.035 665 V CB -1.146 30.417 31.823 -0.432 0.000 0.658 665 V HN 0.600 nan 8.190 nan 0.000 0.452 666 Y N 1.601 121.829 120.300 -0.120 0.000 2.153 666 Y HA -0.187 4.362 4.550 -0.002 0.000 0.289 666 Y C 2.689 178.581 175.900 -0.014 0.000 1.127 666 Y CA 2.205 60.311 58.100 0.010 0.000 1.131 666 Y CB -0.572 38.083 38.460 0.326 0.000 0.995 666 Y HN 0.207 nan 8.280 nan 0.000 0.505 667 T N 0.346 115.114 114.554 0.357 0.000 2.708 667 T HA -0.175 4.174 4.350 -0.002 0.000 0.266 667 T C 1.530 176.213 174.700 -0.028 0.000 1.037 667 T CA 1.918 64.169 62.100 0.251 0.000 1.146 667 T CB -0.262 68.879 68.868 0.455 0.000 0.865 667 T HN 0.438 nan 8.240 nan 0.000 0.435 668 E N 0.558 120.755 120.200 -0.005 0.000 2.208 668 E HA -0.028 4.321 4.350 -0.002 0.000 0.193 668 E C 2.301 178.785 176.600 -0.193 0.000 0.988 668 E CA 0.296 56.687 56.400 -0.015 0.000 0.828 668 E CB -0.089 29.648 29.700 0.061 0.000 0.763 668 E HN 0.322 nan 8.360 nan 0.000 0.478 669 R N 0.145 120.379 120.500 -0.443 0.000 2.117 669 R HA -0.209 4.130 4.340 -0.002 0.000 0.243 669 R C 1.159 176.903 176.300 -0.926 0.000 1.143 669 R CA 1.694 57.316 56.100 -0.797 0.000 0.968 669 R CB -0.034 29.459 30.300 -1.344 0.000 0.863 669 R HN 0.238 nan 8.270 nan 0.000 0.444 670 Y N -2.418 117.572 120.300 -0.516 0.000 2.498 670 Y HA 0.240 4.789 4.550 -0.002 0.000 0.259 670 Y C 1.636 177.355 175.900 -0.303 0.000 1.086 670 Y CA -0.023 57.770 58.100 -0.513 0.000 1.287 670 Y CB 0.485 38.521 38.460 -0.706 0.000 1.146 670 Y HN -0.028 nan 8.280 nan 0.000 0.523 671 M N -0.570 118.930 119.600 -0.166 0.000 2.331 671 M HA 0.366 4.845 4.480 -0.002 0.000 0.266 671 M C 1.165 177.508 176.300 0.073 0.000 1.055 671 M CA 0.767 55.980 55.300 -0.144 0.000 1.048 671 M CB -0.257 32.069 32.600 -0.456 0.000 1.460 671 M HN 0.328 nan 8.290 nan 0.000 0.519 672 G N 2.033 110.873 108.800 0.066 0.000 2.601 672 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.261 672 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.261 672 G C -0.384 174.645 174.900 0.215 0.000 1.289 672 G CA -0.572 44.598 45.100 0.117 0.000 0.920 672 G HN 0.367 nan 8.290 nan 0.000 0.571 673 L N 1.928 123.240 121.223 0.148 0.000 2.357 673 L HA 0.453 4.792 4.340 -0.002 0.000 0.273 673 L C -1.535 175.301 176.870 -0.056 0.000 1.080 673 L CA -1.795 53.081 54.840 0.061 0.000 0.803 673 L CB 1.949 44.015 42.059 0.012 0.000 1.174 673 L HN 0.420 nan 8.230 nan 0.000 0.443 674 P HA 0.094 nan 4.420 nan 0.000 0.212 674 P C -0.557 176.583 177.300 -0.265 0.000 1.816 674 P CA -0.198 62.492 63.100 -0.683 0.000 0.944 674 P CB -0.347 30.644 31.700 -1.181 0.000 1.896 675 T N -2.923 111.560 114.554 -0.117 0.000 2.932 675 T HA 0.495 4.844 4.350 -0.002 0.000 0.289 675 T C -2.209 172.481 174.700 -0.016 0.000 1.039 675 T CA -2.516 59.550 62.100 -0.057 0.000 1.024 675 T CB 1.758 70.605 68.868 -0.035 0.000 1.090 675 T HN -0.274 nan 8.240 nan 0.000 0.496 676 P HA -0.076 nan 4.420 nan 0.000 0.220 676 P C 1.360 178.670 177.300 0.017 0.000 1.148 676 P CA 0.766 63.872 63.100 0.010 0.000 0.803 676 P CB 0.127 31.830 31.700 0.005 0.000 0.782 677 E N -1.330 118.876 120.200 0.011 0.000 2.442 677 E HA -0.046 4.303 4.350 -0.002 0.000 0.195 677 E C 0.937 177.551 176.600 0.022 0.000 1.030 677 E CA 0.660 57.068 56.400 0.014 0.000 0.869 677 E CB -0.390 29.313 29.700 0.006 0.000 0.857 677 E HN 0.212 nan 8.360 nan 0.000 0.505 678 D N 1.470 121.887 120.400 0.028 0.000 2.685 678 D HA 0.067 4.706 4.640 -0.002 0.000 0.254 678 D C 0.455 176.802 176.300 0.079 0.000 1.414 678 D CA 0.126 54.155 54.000 0.047 0.000 1.145 678 D CB -0.035 40.793 40.800 0.046 0.000 0.941 678 D HN 0.104 nan 8.370 nan 0.000 0.250 679 N N -0.185 118.587 118.700 0.121 0.000 2.307 679 N HA 0.027 4.766 4.740 -0.002 0.000 0.248 679 N C 1.185 176.873 175.510 0.296 0.000 1.322 679 N CA -0.101 53.075 53.050 0.210 0.000 0.861 679 N CB 0.827 39.474 38.487 0.268 0.000 1.303 679 N HN -0.017 nan 8.380 nan 0.000 0.498 680 L N 1.324 122.633 121.223 0.143 0.000 2.081 680 L HA -0.167 4.172 4.340 -0.002 0.000 0.212 680 L C 1.100 178.070 176.870 0.167 0.000 1.080 680 L CA 2.113 57.011 54.840 0.097 0.000 0.754 680 L CB -0.386 41.676 42.059 0.006 0.000 0.893 680 L HN 0.163 nan 8.230 nan 0.000 0.433 681 D N -2.074 118.413 120.400 0.145 0.000 2.097 681 D HA -0.243 4.396 4.640 -0.002 0.000 0.195 681 D C 2.051 178.445 176.300 0.156 0.000 0.989 681 D CA 1.690 55.766 54.000 0.126 0.000 0.827 681 D CB -0.126 40.735 40.800 0.101 0.000 0.966 681 D HN 0.578 nan 8.370 nan 0.000 0.456 682 H N -1.263 117.874 119.070 0.111 0.000 2.462 682 H HA -0.037 4.518 4.556 -0.002 0.000 0.292 682 H C 1.459 176.853 175.328 0.110 0.000 1.049 682 H CA 1.119 57.213 56.048 0.077 0.000 1.334 682 H CB -0.159 29.616 29.762 0.022 0.000 1.404 682 H HN 0.206 nan 8.280 nan 0.000 0.544 683 Y N 0.236 120.527 120.300 -0.016 0.000 2.128 683 Y HA -0.204 4.345 4.550 -0.002 0.000 0.284 683 Y C 2.412 178.278 175.900 -0.057 0.000 1.154 683 Y CA 1.668 59.761 58.100 -0.011 0.000 1.149 683 Y CB 0.003 38.487 38.460 0.041 0.000 0.976 683 Y HN 0.084 nan 8.280 nan 0.000 0.505 684 R N -0.084 120.494 120.500 0.130 0.000 2.189 684 R HA -0.085 4.254 4.340 -0.002 0.000 0.218 684 R C 1.548 177.845 176.300 -0.006 0.000 1.074 684 R CA 1.106 57.233 56.100 0.046 0.000 0.991 684 R CB -0.502 29.826 30.300 0.046 0.000 0.883 684 R HN 0.243 nan 8.270 nan 0.000 0.457 685 N N -0.841 117.832 118.700 -0.045 0.000 2.280 685 N HA -0.029 4.710 4.740 -0.002 0.000 0.192 685 N C -0.204 175.242 175.510 -0.108 0.000 1.109 685 N CA 0.465 53.485 53.050 -0.050 0.000 0.855 685 N CB 0.425 38.918 38.487 0.010 0.000 0.974 685 N HN 0.090 nan 8.380 nan 0.000 0.482 686 S N -1.512 114.082 115.700 -0.176 0.000 2.651 686 S HA 0.151 4.620 4.470 -0.002 0.000 0.246 686 S C 0.367 174.994 174.600 0.045 0.000 1.039 686 S CA -0.585 57.554 58.200 -0.102 0.000 1.013 686 S CB -0.746 62.291 63.200 -0.271 0.000 0.861 686 S HN 0.222 nan 8.310 nan 0.000 0.485 687 T N -1.321 113.225 114.554 -0.014 0.000 2.899 687 T HA 0.515 4.864 4.350 -0.002 0.000 0.284 687 T C 1.324 176.017 174.700 -0.012 0.000 1.004 687 T CA -0.554 61.528 62.100 -0.031 0.000 1.043 687 T CB 1.248 70.071 68.868 -0.076 0.000 1.013 687 T HN -0.039 nan 8.240 nan 0.000 0.518 688 V N 1.867 121.770 119.914 -0.019 0.000 2.379 688 V HA -0.103 4.016 4.120 -0.002 0.000 0.245 688 V C 2.685 178.755 176.094 -0.040 0.000 1.044 688 V CA 1.573 63.857 62.300 -0.026 0.000 1.036 688 V CB -0.945 30.857 31.823 -0.035 0.000 0.664 688 V HN 0.828 nan 8.190 nan 0.000 0.453 689 M N 1.368 120.927 119.600 -0.068 0.000 2.108 689 M HA -0.207 4.272 4.480 -0.002 0.000 0.257 689 M C 2.339 178.614 176.300 -0.041 0.000 1.071 689 M CA 2.363 57.618 55.300 -0.076 0.000 1.093 689 M CB -1.059 31.506 32.600 -0.058 0.000 1.345 689 M HN 0.546 nan 8.290 nan 0.000 0.403 690 S N -0.415 115.272 115.700 -0.022 0.000 2.474 690 S HA -0.071 4.398 4.470 -0.002 0.000 0.235 690 S C 1.745 176.353 174.600 0.013 0.000 0.997 690 S CA 0.682 58.878 58.200 -0.006 0.000 0.949 690 S CB -0.473 62.722 63.200 -0.008 0.000 0.766 690 S HN 0.540 nan 8.310 nan 0.000 0.517 691 R N 0.567 121.089 120.500 0.037 0.000 2.359 691 R HA 0.417 4.756 4.340 -0.002 0.000 0.231 691 R C 2.180 178.588 176.300 0.181 0.000 0.913 691 R CA 0.448 56.598 56.100 0.083 0.000 1.075 691 R CB -0.287 30.060 30.300 0.079 0.000 1.087 691 R HN 0.503 nan 8.270 nan 0.000 0.515 692 A N 1.927 124.806 122.820 0.098 0.000 1.917 692 A HA -0.226 4.093 4.320 -0.002 0.000 0.219 692 A C 1.866 179.545 177.584 0.159 0.000 1.182 692 A CA 1.392 53.467 52.037 0.064 0.000 0.633 692 A CB -0.176 18.785 19.000 -0.065 0.000 0.819 692 A HN 0.196 nan 8.150 nan 0.000 0.448 693 E N 0.219 120.479 120.200 0.102 0.000 2.130 693 E HA -0.194 4.155 4.350 -0.002 0.000 0.196 693 E C 1.504 178.168 176.600 0.106 0.000 0.998 693 E CA 1.183 57.636 56.400 0.089 0.000 0.806 693 E CB -0.441 29.291 29.700 0.053 0.000 0.738 693 E HN 0.594 nan 8.360 nan 0.000 0.459 694 N N 0.149 118.908 118.700 0.099 0.000 2.443 694 N HA -0.102 4.637 4.740 -0.002 0.000 0.184 694 N C 1.326 176.821 175.510 -0.025 0.000 1.037 694 N CA 0.507 53.563 53.050 0.010 0.000 0.896 694 N CB -0.305 38.137 38.487 -0.075 0.000 0.959 694 N HN 0.153 nan 8.380 nan 0.000 0.442 695 F N 1.506 121.422 119.950 -0.056 0.000 2.699 695 F HA 0.007 4.533 4.527 -0.002 0.000 0.298 695 F C 1.777 177.593 175.800 0.027 0.000 1.154 695 F CA 0.502 58.470 58.000 -0.053 0.000 1.457 695 F CB -0.005 38.929 39.000 -0.111 0.000 1.106 695 F HN 0.069 nan 8.300 nan 0.000 0.585 696 K N -0.052 120.457 120.400 0.181 0.000 2.362 696 K HA -0.146 4.173 4.320 -0.002 0.000 0.200 696 K C 1.245 177.907 176.600 0.103 0.000 1.046 696 K CA 1.036 57.408 56.287 0.140 0.000 0.952 696 K CB -0.428 32.136 32.500 0.105 0.000 0.753 696 K HN 0.357 nan 8.250 nan 0.000 0.466 697 Q N 1.184 121.023 119.800 0.066 0.000 2.403 697 Q HA 0.067 4.406 4.340 -0.002 0.000 0.203 697 Q C 0.163 176.196 176.000 0.056 0.000 0.932 697 Q CA 0.065 55.894 55.803 0.043 0.000 0.945 697 Q CB 0.424 29.166 28.738 0.006 0.000 1.045 697 Q HN 0.300 nan 8.270 nan 0.000 0.511 698 V N -3.731 116.237 119.914 0.090 0.000 3.188 698 V HA 0.457 4.576 4.120 -0.002 0.000 0.305 698 V C -1.429 174.803 176.094 0.229 0.000 1.232 698 V CA -1.347 61.030 62.300 0.129 0.000 1.043 698 V CB 2.311 34.173 31.823 0.065 0.000 1.068 698 V HN -0.035 nan 8.190 nan 0.000 0.439 699 E N 1.379 121.743 120.200 0.274 0.000 2.174 699 E HA 0.512 4.861 4.350 -0.002 0.000 0.282 699 E C -1.912 175.060 176.600 0.619 0.000 0.992 699 E CA -0.450 56.187 56.400 0.395 0.000 0.803 699 E CB 1.936 31.802 29.700 0.277 0.000 1.090 699 E HN 0.677 nan 8.360 nan 0.000 0.396 700 Y N 3.237 123.804 120.300 0.444 0.000 2.391 700 Y HA 0.429 4.978 4.550 -0.002 0.000 0.341 700 Y C -1.759 174.224 175.900 0.139 0.000 0.965 700 Y CA -1.516 56.780 58.100 0.327 0.000 1.067 700 Y CB 1.096 39.781 38.460 0.375 0.000 1.199 700 Y HN 0.436 nan 8.280 nan 0.000 0.450 701 L N 7.630 128.605 121.223 -0.414 0.000 2.325 701 L HA 0.662 5.001 4.340 -0.002 0.000 0.281 701 L C -2.142 174.311 176.870 -0.696 0.000 1.004 701 L CA -0.731 53.708 54.840 -0.668 0.000 0.823 701 L CB 1.388 42.742 42.059 -1.176 0.000 1.236 701 L HN 0.646 nan 8.230 nan 0.000 0.415 702 L N 6.614 127.495 121.223 -0.570 0.000 2.325 702 L HA 0.705 5.044 4.340 -0.002 0.000 0.281 702 L C -1.228 175.525 176.870 -0.195 0.000 1.004 702 L CA -0.031 54.525 54.840 -0.473 0.000 0.823 702 L CB 1.255 43.011 42.059 -0.504 0.000 1.236 702 L HN 0.592 nan 8.230 nan 0.000 0.415 703 I N 4.357 124.831 120.570 -0.160 0.000 2.582 703 I HA 0.451 4.620 4.170 -0.002 0.000 0.292 703 I C -1.186 174.930 176.117 -0.002 0.000 1.066 703 I CA -0.697 60.567 61.300 -0.059 0.000 1.053 703 I CB 2.062 39.991 38.000 -0.117 0.000 1.241 703 I HN 0.671 nan 8.210 nan 0.000 0.421 704 H N 2.267 121.411 119.070 0.124 0.000 3.038 704 H HA 0.519 5.074 4.556 -0.002 0.000 0.362 704 H C -0.263 175.306 175.328 0.401 0.000 1.167 704 H CA -0.545 55.631 56.048 0.214 0.000 1.197 704 H CB 2.149 32.011 29.762 0.165 0.000 1.840 704 H HN 0.750 nan 8.280 nan 0.000 0.540 705 G N 0.883 110.016 108.800 0.554 0.000 2.390 705 G HA2 0.198 4.157 3.960 -0.002 0.000 0.270 705 G HA3 0.198 4.157 3.960 -0.002 0.000 0.270 705 G C 1.135 176.294 174.900 0.432 0.000 1.211 705 G CA 0.148 45.531 45.100 0.472 0.000 0.842 705 G HN 0.761 nan 8.290 nan 0.000 0.519 706 T N -0.504 114.149 114.554 0.165 0.000 2.951 706 T HA 0.056 4.405 4.350 -0.002 0.000 0.268 706 T C 1.804 176.480 174.700 -0.039 0.000 1.073 706 T CA 1.291 63.305 62.100 -0.144 0.000 1.134 706 T CB 0.107 68.801 68.868 -0.290 0.000 0.884 706 T HN 0.676 nan 8.240 nan 0.000 0.479 707 A N 1.198 124.073 122.820 0.093 0.000 2.640 707 A HA 0.293 4.612 4.320 -0.002 0.000 0.282 707 A C 0.437 178.018 177.584 -0.006 0.000 1.357 707 A CA -0.478 51.618 52.037 0.099 0.000 0.946 707 A CB -0.474 18.818 19.000 0.486 0.000 1.065 707 A HN 0.385 nan 8.150 nan 0.000 0.541 708 D N 1.463 121.860 120.400 -0.006 0.000 2.342 708 D HA 0.001 4.640 4.640 -0.002 0.000 0.260 708 D C 0.409 176.651 176.300 -0.096 0.000 1.278 708 D CA 0.109 54.179 54.000 0.117 0.000 0.910 708 D CB 0.662 41.686 40.800 0.373 0.000 1.079 708 D HN 0.576 nan 8.370 nan 0.000 0.496 709 D N 2.247 122.639 120.400 -0.012 0.000 2.348 709 D HA -0.126 4.513 4.640 -0.002 0.000 0.211 709 D C 0.941 177.162 176.300 -0.132 0.000 0.998 709 D CA -0.102 53.847 54.000 -0.085 0.000 0.873 709 D CB 0.453 41.139 40.800 -0.190 0.000 0.925 709 D HN 0.207 nan 8.370 nan 0.000 0.524 710 N N 0.990 119.704 118.700 0.024 0.000 2.358 710 N HA -0.055 4.684 4.740 -0.002 0.000 0.209 710 N C -0.069 175.326 175.510 -0.193 0.000 1.033 710 N CA 0.507 53.630 53.050 0.121 0.000 1.021 710 N CB 0.091 38.668 38.487 0.150 0.000 1.244 710 N HN -0.126 nan 8.380 nan 0.000 0.523 711 V N 2.743 122.550 119.914 -0.179 0.000 2.353 711 V HA 0.186 4.305 4.120 -0.002 0.000 0.264 711 V C -0.468 175.628 176.094 0.005 0.000 1.049 711 V CA -0.340 61.899 62.300 -0.101 0.000 0.896 711 V CB -0.425 31.379 31.823 -0.032 0.000 1.025 711 V HN 0.322 nan 8.190 nan 0.000 0.475 712 H N 3.415 122.469 119.070 -0.027 0.000 2.790 712 H HA 0.058 4.613 4.556 -0.002 0.000 0.358 712 H C 0.719 175.863 175.328 -0.306 0.000 1.103 712 H CA -0.192 55.748 56.048 -0.181 0.000 1.426 712 H CB 0.717 30.287 29.762 -0.319 0.000 1.424 712 H HN 0.617 nan 8.280 nan 0.000 0.599 713 F N 1.933 121.650 119.950 -0.389 0.000 2.184 713 F HA -0.313 4.213 4.527 -0.002 0.000 0.301 713 F C 2.563 178.070 175.800 -0.487 0.000 1.076 713 F CA 1.817 59.401 58.000 -0.693 0.000 1.295 713 F CB -0.191 38.600 39.000 -0.348 0.000 1.026 713 F HN 0.686 nan 8.300 nan 0.000 0.494 714 Q N 0.156 119.779 119.800 -0.295 0.000 2.156 714 Q HA -0.327 4.012 4.340 -0.002 0.000 0.211 714 Q C 2.069 177.801 176.000 -0.446 0.000 0.995 714 Q CA 2.402 57.983 55.803 -0.371 0.000 0.877 714 Q CB -0.375 28.115 28.738 -0.415 0.000 0.920 714 Q HN 0.594 nan 8.270 nan 0.000 0.416 715 Q N -0.257 119.329 119.800 -0.358 0.000 2.061 715 Q HA -0.130 4.209 4.340 -0.002 0.000 0.204 715 Q C 2.281 178.167 176.000 -0.190 0.000 0.984 715 Q CA 1.817 57.536 55.803 -0.140 0.000 0.846 715 Q CB -0.140 28.596 28.738 -0.003 0.000 0.902 715 Q HN 0.353 nan 8.270 nan 0.000 0.421 716 S N 0.737 116.216 115.700 -0.368 0.000 2.414 716 S HA 0.013 4.482 4.470 -0.002 0.000 0.227 716 S C 2.079 176.416 174.600 -0.439 0.000 1.022 716 S CA 0.646 58.638 58.200 -0.347 0.000 0.958 716 S CB -0.119 62.896 63.200 -0.309 0.000 0.797 716 S HN 0.467 nan 8.310 nan 0.000 0.493 717 A N 1.860 124.300 122.820 -0.633 0.000 1.892 717 A HA -0.196 4.123 4.320 -0.002 0.000 0.218 717 A C 2.150 179.608 177.584 -0.209 0.000 1.188 717 A CA 1.387 53.184 52.037 -0.400 0.000 0.631 717 A CB -0.551 18.251 19.000 -0.331 0.000 0.822 717 A HN 0.400 nan 8.150 nan 0.000 0.447 718 Q N -0.535 119.154 119.800 -0.184 0.000 2.119 718 Q HA -0.054 4.285 4.340 -0.002 0.000 0.201 718 Q C 2.192 178.130 176.000 -0.103 0.000 0.972 718 Q CA 1.169 56.921 55.803 -0.085 0.000 0.847 718 Q CB -0.384 28.373 28.738 0.032 0.000 0.903 718 Q HN 0.792 nan 8.270 nan 0.000 0.433 719 I N 1.300 121.782 120.570 -0.146 0.000 2.127 719 I HA -0.309 3.860 4.170 -0.002 0.000 0.241 719 I C 2.655 178.599 176.117 -0.287 0.000 1.075 719 I CA 1.602 62.776 61.300 -0.210 0.000 1.334 719 I CB -0.521 37.359 38.000 -0.201 0.000 1.040 719 I HN 0.208 nan 8.210 nan 0.000 0.405 720 S N 0.811 116.361 115.700 -0.250 0.000 2.368 720 S HA -0.277 4.192 4.470 -0.002 0.000 0.225 720 S C 2.057 176.620 174.600 -0.061 0.000 1.030 720 S CA 1.472 59.556 58.200 -0.193 0.000 0.999 720 S CB -0.440 62.791 63.200 0.051 0.000 0.844 720 S HN 0.364 nan 8.310 nan 0.000 0.459 721 K N 1.533 121.902 120.400 -0.053 0.000 2.057 721 K HA 0.019 4.338 4.320 -0.002 0.000 0.207 721 K C 2.319 178.898 176.600 -0.035 0.000 1.049 721 K CA 1.165 57.440 56.287 -0.019 0.000 0.931 721 K CB -0.673 31.813 32.500 -0.024 0.000 0.714 721 K HN 0.478 nan 8.250 nan 0.000 0.440 722 A N 0.936 123.706 122.820 -0.083 0.000 1.933 722 A HA -0.120 4.199 4.320 -0.002 0.000 0.218 722 A C 2.061 179.584 177.584 -0.101 0.000 1.175 722 A CA 1.294 53.277 52.037 -0.090 0.000 0.628 722 A CB -0.563 18.366 19.000 -0.118 0.000 0.814 722 A HN 0.305 nan 8.150 nan 0.000 0.444 723 L N -0.645 120.473 121.223 -0.175 0.000 2.093 723 L HA -0.133 4.206 4.340 -0.002 0.000 0.208 723 L C 2.497 179.400 176.870 0.055 0.000 1.085 723 L CA 0.871 55.626 54.840 -0.142 0.000 0.755 723 L CB -0.577 41.236 42.059 -0.410 0.000 0.904 723 L HN 0.235 nan 8.230 nan 0.000 0.435 724 V N -0.248 119.729 119.914 0.105 0.000 2.295 724 V HA -0.287 3.832 4.120 -0.002 0.000 0.246 724 V C 2.035 178.168 176.094 0.064 0.000 1.049 724 V CA 1.880 64.254 62.300 0.123 0.000 1.024 724 V CB -0.539 31.354 31.823 0.117 0.000 0.648 724 V HN 0.420 nan 8.190 nan 0.000 0.447 725 D N -0.367 120.054 120.400 0.034 0.000 2.265 725 D HA -0.116 4.523 4.640 -0.002 0.000 0.208 725 D C 1.735 178.051 176.300 0.026 0.000 0.977 725 D CA 1.071 55.085 54.000 0.023 0.000 0.871 725 D CB 0.068 40.872 40.800 0.008 0.000 0.925 725 D HN 0.363 nan 8.370 nan 0.000 0.485 726 V N -0.896 119.037 119.914 0.031 0.000 3.528 726 V HA 0.231 4.350 4.120 -0.002 0.000 0.294 726 V C 1.119 177.246 176.094 0.055 0.000 1.404 726 V CA 0.636 62.958 62.300 0.036 0.000 1.065 726 V CB 0.551 32.390 31.823 0.026 0.000 0.904 726 V HN 0.317 nan 8.190 nan 0.000 0.435 727 G N 1.176 110.018 108.800 0.069 0.000 2.256 727 G HA2 -0.189 3.770 3.960 -0.002 0.000 0.272 727 G HA3 -0.189 3.770 3.960 -0.002 0.000 0.272 727 G C -0.081 174.884 174.900 0.109 0.000 1.076 727 G CA 0.308 45.457 45.100 0.081 0.000 0.882 727 G HN 0.436 nan 8.290 nan 0.000 0.497 728 V N 0.436 120.440 119.914 0.150 0.000 2.370 728 V HA 0.477 4.596 4.120 -0.002 0.000 0.283 728 V C 0.359 176.638 176.094 0.309 0.000 1.023 728 V CA -0.697 61.725 62.300 0.203 0.000 0.857 728 V CB 1.764 33.703 31.823 0.194 0.000 0.985 728 V HN 0.438 nan 8.190 nan 0.000 0.443 729 D N 4.050 124.595 120.400 0.241 0.000 2.304 729 D HA 0.589 5.228 4.640 -0.002 0.000 0.247 729 D C -0.578 175.929 176.300 0.344 0.000 1.089 729 D CA 0.254 54.369 54.000 0.192 0.000 0.910 729 D CB 0.796 41.648 40.800 0.087 0.000 1.199 729 D HN 0.374 nan 8.370 nan 0.000 0.426 730 F N -0.681 119.340 119.950 0.118 0.000 2.817 730 F HA 0.461 4.987 4.527 -0.002 0.000 0.317 730 F C -1.310 174.534 175.800 0.074 0.000 1.168 730 F CA -1.108 56.981 58.000 0.148 0.000 0.911 730 F CB 0.749 39.862 39.000 0.188 0.000 1.337 730 F HN 0.193 nan 8.300 nan 0.000 0.464 731 Q N 1.121 120.989 119.800 0.113 0.000 2.257 731 Q HA 0.862 5.201 4.340 -0.002 0.000 0.262 731 Q C -1.051 174.950 176.000 0.002 0.000 0.997 731 Q CA -1.130 54.646 55.803 -0.044 0.000 0.873 731 Q CB 2.285 31.040 28.738 0.028 0.000 1.312 731 Q HN 0.969 nan 8.270 nan 0.000 0.450 732 A N 1.605 124.397 122.820 -0.046 0.000 2.527 732 A HA 0.907 5.226 4.320 -0.002 0.000 0.293 732 A C -1.508 176.033 177.584 -0.073 0.000 1.117 732 A CA -0.600 51.445 52.037 0.013 0.000 0.723 732 A CB 1.865 20.930 19.000 0.107 0.000 1.313 732 A HN 0.640 nan 8.150 nan 0.000 0.411 733 M N 1.111 120.657 119.600 -0.090 0.000 2.296 733 M HA 0.526 5.005 4.480 -0.002 0.000 0.268 733 M C -2.000 174.180 176.300 -0.200 0.000 1.048 733 M CA -0.414 54.690 55.300 -0.326 0.000 0.966 733 M CB 0.912 33.227 32.600 -0.475 0.000 1.912 733 M HN 0.980 nan 8.290 nan 0.000 0.484 734 W N 4.154 125.304 121.300 -0.250 0.000 2.448 734 W HA 0.776 5.435 4.660 -0.002 0.000 0.339 734 W C -1.909 174.329 176.519 -0.468 0.000 1.124 734 W CA -0.705 56.553 57.345 -0.145 0.000 1.262 734 W CB 0.305 29.716 29.460 -0.080 0.000 1.251 734 W HN 0.613 nan 8.180 nan 0.000 0.597 735 Y N 2.277 122.699 120.300 0.203 0.000 2.376 735 Y HA 0.274 4.823 4.550 -0.002 0.000 0.326 735 Y C 0.780 176.787 175.900 0.178 0.000 0.970 735 Y CA -1.152 56.998 58.100 0.084 0.000 1.248 735 Y CB 1.387 39.868 38.460 0.035 0.000 1.117 735 Y HN 0.620 nan 8.280 nan 0.000 0.476 736 T N 1.482 116.211 114.554 0.292 0.000 2.817 736 T HA 0.119 4.468 4.350 -0.002 0.000 0.295 736 T C 0.358 175.120 174.700 0.103 0.000 0.958 736 T CA 0.305 62.513 62.100 0.179 0.000 1.157 736 T CB 0.094 69.011 68.868 0.081 0.000 0.898 736 T HN 0.794 nan 8.240 nan 0.000 0.536 737 D N 0.911 121.340 120.400 0.050 0.000 2.911 737 D HA -0.111 4.528 4.640 -0.002 0.000 0.199 737 D C -0.072 176.338 176.300 0.183 0.000 1.041 737 D CA 1.143 55.102 54.000 -0.068 0.000 1.013 737 D CB -0.770 39.785 40.800 -0.410 0.000 1.093 737 D HN 0.705 nan 8.370 nan 0.000 0.431 738 E N 1.006 121.339 120.200 0.222 0.000 2.313 738 E HA 0.352 4.701 4.350 -0.002 0.000 0.272 738 E C 0.780 177.557 176.600 0.296 0.000 1.038 738 E CA -0.201 56.353 56.400 0.258 0.000 0.863 738 E CB 1.201 31.043 29.700 0.237 0.000 1.060 738 E HN 0.360 nan 8.360 nan 0.000 0.402 739 D N -0.151 120.438 120.400 0.314 0.000 2.466 739 D HA -0.003 4.636 4.640 -0.002 0.000 0.271 739 D C 1.105 177.633 176.300 0.381 0.000 1.193 739 D CA -0.081 54.128 54.000 0.347 0.000 1.103 739 D CB -0.247 40.782 40.800 0.381 0.000 1.184 739 D HN 0.412 nan 8.370 nan 0.000 0.593 740 H N -1.503 117.741 119.070 0.289 0.000 2.423 740 H HA 0.162 4.717 4.556 -0.002 0.000 0.297 740 H C 1.969 177.537 175.328 0.401 0.000 1.075 740 H CA 2.062 58.300 56.048 0.317 0.000 1.342 740 H CB -0.401 29.524 29.762 0.273 0.000 1.395 740 H HN 0.466 nan 8.280 nan 0.000 0.530 741 G N 0.003 108.966 108.800 0.271 0.000 2.511 741 G HA2 -0.035 3.924 3.960 -0.002 0.000 0.217 741 G HA3 -0.035 3.924 3.960 -0.002 0.000 0.217 741 G C 0.567 175.628 174.900 0.269 0.000 1.133 741 G CA 0.358 45.531 45.100 0.122 0.000 0.792 741 G HN 0.518 nan 8.290 nan 0.000 0.539 742 I N 0.063 120.826 120.570 0.323 0.000 6.373 742 I HA -0.317 3.852 4.170 -0.002 0.000 0.126 742 I C 1.451 177.697 176.117 0.215 0.000 1.554 742 I CA 0.100 61.551 61.300 0.252 0.000 2.468 742 I CB -1.199 36.931 38.000 0.217 0.000 2.951 742 I HN 0.252 nan 8.210 nan 0.000 0.282 743 A N 1.959 124.873 122.820 0.156 0.000 2.259 743 A HA 0.233 4.552 4.320 -0.002 0.000 0.213 743 A C 1.207 178.832 177.584 0.068 0.000 1.209 743 A CA 0.636 52.728 52.037 0.091 0.000 0.910 743 A CB 0.241 19.268 19.000 0.045 0.000 0.946 743 A HN 0.719 nan 8.150 nan 0.000 0.497 744 S N 1.173 116.931 115.700 0.097 0.000 2.561 744 S HA 0.086 4.555 4.470 -0.002 0.000 0.294 744 S C 1.331 175.984 174.600 0.088 0.000 1.294 744 S CA 0.433 58.684 58.200 0.086 0.000 1.055 744 S CB 0.666 63.926 63.200 0.101 0.000 0.819 744 S HN 1.041 nan 8.310 nan 0.000 0.503 745 S N 2.641 118.379 115.700 0.063 0.000 2.370 745 S HA -0.213 4.256 4.470 -0.002 0.000 0.226 745 S C 2.015 176.676 174.600 0.102 0.000 1.033 745 S CA 1.601 59.843 58.200 0.070 0.000 1.011 745 S CB -1.992 61.227 63.200 0.031 0.000 0.852 745 S HN 1.123 nan 8.310 nan 0.000 0.457 746 T N 0.628 115.231 114.554 0.083 0.000 2.746 746 T HA 0.115 4.464 4.350 -0.002 0.000 0.267 746 T C 2.051 176.813 174.700 0.103 0.000 1.039 746 T CA 1.266 63.418 62.100 0.087 0.000 1.142 746 T CB -1.040 67.870 68.868 0.070 0.000 0.866 746 T HN 0.611 nan 8.240 nan 0.000 0.444 747 A N 1.504 124.369 122.820 0.076 0.000 1.898 747 A HA -0.081 4.238 4.320 -0.002 0.000 0.216 747 A C 2.214 179.775 177.584 -0.039 0.000 1.181 747 A CA 2.036 54.060 52.037 -0.022 0.000 0.620 747 A CB -1.293 17.664 19.000 -0.072 0.000 0.819 747 A HN 0.768 nan 8.150 nan 0.000 0.442 748 H N -0.084 118.981 119.070 -0.007 0.000 2.319 748 H HA -0.167 4.388 4.556 -0.002 0.000 0.299 748 H C 2.123 177.531 175.328 0.133 0.000 1.092 748 H CA 2.406 58.508 56.048 0.090 0.000 1.302 748 H CB -0.244 29.565 29.762 0.078 0.000 1.373 748 H HN 0.585 nan 8.280 nan 0.000 0.497 749 Q N -1.282 118.537 119.800 0.032 0.000 2.084 749 Q HA -0.213 4.126 4.340 -0.002 0.000 0.202 749 Q C 2.189 178.183 176.000 -0.011 0.000 0.978 749 Q CA 1.695 57.475 55.803 -0.039 0.000 0.844 749 Q CB -0.201 28.546 28.738 0.015 0.000 0.898 749 Q HN 0.677 nan 8.270 nan 0.000 0.426 750 H N 0.359 119.409 119.070 -0.034 0.000 2.357 750 H HA -0.044 4.511 4.556 -0.002 0.000 0.301 750 H C 1.925 177.252 175.328 -0.003 0.000 1.082 750 H CA 1.412 57.468 56.048 0.013 0.000 1.342 750 H CB 0.074 29.895 29.762 0.098 0.000 1.389 750 H HN 0.229 nan 8.280 nan 0.000 0.511 751 I N -0.474 120.080 120.570 -0.026 0.000 2.202 751 I HA -0.313 3.856 4.170 -0.002 0.000 0.242 751 I C 1.315 177.221 176.117 -0.352 0.000 1.091 751 I CA 1.345 62.536 61.300 -0.181 0.000 1.368 751 I CB -0.126 37.586 38.000 -0.480 0.000 1.058 751 I HN 0.304 nan 8.210 nan 0.000 0.410 752 Y N 0.933 121.023 120.300 -0.350 0.000 2.293 752 Y HA -0.194 4.354 4.550 -0.002 0.000 0.291 752 Y C 2.697 178.396 175.900 -0.335 0.000 1.137 752 Y CA 1.803 59.593 58.100 -0.517 0.000 1.202 752 Y CB -0.873 37.289 38.460 -0.497 0.000 0.990 752 Y HN 0.164 nan 8.280 nan 0.000 0.537 753 T N -1.560 112.914 114.554 -0.133 0.000 2.708 753 T HA -0.257 4.092 4.350 -0.002 0.000 0.266 753 T C 1.559 176.089 174.700 -0.284 0.000 1.037 753 T CA 1.990 63.952 62.100 -0.231 0.000 1.146 753 T CB -0.494 68.235 68.868 -0.232 0.000 0.865 753 T HN 0.417 nan 8.240 nan 0.000 0.435 754 H N 0.785 119.697 119.070 -0.264 0.000 2.357 754 H HA 0.130 4.685 4.556 -0.002 0.000 0.301 754 H C 2.141 177.436 175.328 -0.054 0.000 1.082 754 H CA 1.462 57.433 56.048 -0.127 0.000 1.342 754 H CB -0.232 29.471 29.762 -0.099 0.000 1.389 754 H HN 0.267 nan 8.280 nan 0.000 0.511 755 M N -0.987 118.536 119.600 -0.129 0.000 2.254 755 M HA -0.119 4.360 4.480 -0.002 0.000 0.265 755 M C 2.366 178.769 176.300 0.173 0.000 1.066 755 M CA 1.144 56.374 55.300 -0.116 0.000 1.123 755 M CB 0.116 32.399 32.600 -0.527 0.000 1.388 755 M HN 0.175 nan 8.290 nan 0.000 0.425 756 S N -0.451 115.368 115.700 0.199 0.000 2.356 756 S HA -0.156 4.313 4.470 -0.002 0.000 0.223 756 S C 1.706 176.417 174.600 0.185 0.000 1.032 756 S CA 1.094 59.507 58.200 0.356 0.000 1.005 756 S CB -0.559 62.835 63.200 0.323 0.000 0.867 756 S HN 0.460 nan 8.310 nan 0.000 0.449 757 H N 0.024 119.157 119.070 0.104 0.000 2.353 757 H HA -0.077 4.478 4.556 -0.002 0.000 0.298 757 H C 1.930 177.264 175.328 0.011 0.000 1.103 757 H CA 1.385 57.448 56.048 0.025 0.000 1.293 757 H CB -0.817 28.911 29.762 -0.057 0.000 1.372 757 H HN 0.483 nan 8.280 nan 0.000 0.501 758 F N 1.017 120.958 119.950 -0.014 0.000 2.113 758 F HA -0.156 4.370 4.527 -0.002 0.000 0.297 758 F C 2.266 178.023 175.800 -0.071 0.000 1.103 758 F CA 0.887 58.846 58.000 -0.067 0.000 1.248 758 F CB -0.178 38.758 39.000 -0.107 0.000 0.999 758 F HN -0.051 nan 8.300 nan 0.000 0.475 759 I N 0.769 121.350 120.570 0.020 0.000 2.226 759 I HA -0.262 3.907 4.170 -0.002 0.000 0.245 759 I C 2.268 178.198 176.117 -0.312 0.000 1.100 759 I CA 1.432 62.577 61.300 -0.257 0.000 1.374 759 I CB -1.306 36.635 38.000 -0.098 0.000 1.057 759 I HN 0.226 nan 8.210 nan 0.000 0.413 760 K N 0.716 121.080 120.400 -0.059 0.000 2.032 760 K HA -0.245 4.074 4.320 -0.002 0.000 0.209 760 K C 2.051 178.647 176.600 -0.008 0.000 1.048 760 K CA 1.933 58.236 56.287 0.027 0.000 0.927 760 K CB -0.165 32.404 32.500 0.115 0.000 0.712 760 K HN 0.458 nan 8.250 nan 0.000 0.441 761 Q N 0.511 120.267 119.800 -0.072 0.000 2.172 761 Q HA -0.113 4.226 4.340 -0.002 0.000 0.200 761 Q C 2.155 178.071 176.000 -0.141 0.000 0.964 761 Q CA 1.523 57.273 55.803 -0.089 0.000 0.855 761 Q CB -1.016 27.664 28.738 -0.096 0.000 0.918 761 Q HN 0.299 nan 8.270 nan 0.000 0.444 762 c N -0.267 118.149 118.600 -0.306 0.000 2.425 762 c HA -0.000 4.569 4.570 -0.002 0.000 0.277 762 c C 1.511 175.621 174.090 0.034 0.000 1.280 762 c CA 0.443 56.595 56.329 -0.295 0.000 1.744 762 c CB -1.108 41.040 42.510 -0.602 0.000 1.989 762 c HN 0.611 nan 8.230 nan 0.000 0.491 763 F N 1.345 121.260 119.950 -0.059 0.000 2.727 763 F HA 0.269 4.795 4.527 -0.002 0.000 0.302 763 F C 1.660 177.448 175.800 -0.021 0.000 1.097 763 F CA 0.360 58.346 58.000 -0.023 0.000 1.330 763 F CB -1.128 37.868 39.000 -0.006 0.000 1.084 763 F HN 0.209 nan 8.300 nan 0.000 0.578 764 S N 0.917 116.700 115.700 0.139 0.000 3.698 764 S HA -0.192 4.277 4.470 -0.002 0.000 0.338 764 S C -0.019 174.625 174.600 0.073 0.000 1.089 764 S CA 0.107 58.351 58.200 0.073 0.000 0.991 764 S CB -2.058 61.172 63.200 0.051 0.000 0.909 764 S HN 0.227 nan 8.310 nan 0.000 0.485 765 L N 2.025 123.305 121.223 0.095 0.000 2.257 765 L HA 0.418 4.757 4.340 -0.002 0.000 0.290 765 L C -1.099 175.814 176.870 0.072 0.000 1.044 765 L CA -1.945 52.947 54.840 0.086 0.000 0.810 765 L CB 0.369 42.497 42.059 0.115 0.000 1.193 765 L HN 0.060 nan 8.230 nan 0.000 0.425 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.132 63.100 0.053 0.000 0.800 766 P CB 0.000 31.724 31.700 0.041 0.000 0.726