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 1hdh_1_B DATA FIRST_RESID 3 DATA SEQUENCE KRPNFLVIVA DDLGFSDIGA FGGEIATPNL DALAIAGLRL TDFHTASTXS DATA SEQUENCE PTRSMLLTGT DHHIAGIGTM AEALTPELEG KPGYEGHLNE RVVALPELLR DATA SEQUENCE EAGYQTLMAG KWHLGLKPEQ TPHARGFERS FSLLPGAANH YGFEPPYDES DATA SEQUENCE TPRILKGTPA LYVEDERYLD TLPEGFYSSD AFGDKLLQYL KERDQSRPFF DATA SEQUENCE AYLPFSAPHW PLQAPREIVE KYRGRYDAGP EALRQERLAR LKELGLVEAD DATA SEQUENCE VEAHPVLALT REWEALEDEE RAKSARAMEV YAAMVERMDW NIGRVVDYLR DATA SEQUENCE RQGELDNTFV LFMSDNGAEG ALLEAFPKFG PDLLGFLDRH YDNSLENIGR DATA SEQUENCE ANSYVWYGPR WAQAATAPSR LYKAFTTQGG IRVPALVRYP RLSRQGAISH DATA SEQUENCE AFATVMDVTP TLLDLAGVRH PGKRWRGREI AEPRGRSWLG WLSGETEAAH DATA SEQUENCE DENTVTGWEL FGMRAIRQGD WKAVYLPAPV GPATWQLYDL ARDPGEIHDL DATA SEQUENCE ADSQPGKLAE LIEHWKRYVS ETGVV 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.595 176.600 -0.008 0.000 0.988 3 K CA 0.000 56.284 56.287 -0.005 0.000 0.838 3 K CB 0.000 32.500 32.500 -0.000 0.000 1.064 4 R N 2.972 123.449 120.500 -0.038 0.000 2.438 4 R HA 0.380 4.717 4.340 -0.004 0.000 0.287 4 R C -2.177 174.054 176.300 -0.115 0.000 1.077 4 R CA -1.443 54.637 56.100 -0.033 0.000 1.034 4 R CB 0.930 31.218 30.300 -0.019 0.000 0.993 4 R HN 0.472 nan 8.270 nan 0.000 0.459 5 P HA 0.068 nan 4.420 nan 0.000 0.276 5 P C -0.913 176.027 177.300 -0.600 0.000 1.244 5 P CA -0.514 62.417 63.100 -0.282 0.000 0.801 5 P CB 0.660 32.206 31.700 -0.257 0.000 1.006 6 N N 0.683 119.003 118.700 -0.634 0.000 2.424 6 N HA 0.280 5.018 4.740 -0.004 0.000 0.257 6 N C -0.418 174.585 175.510 -0.845 0.000 1.250 6 N CA 0.361 52.878 53.050 -0.889 0.000 0.946 6 N CB 0.085 37.734 38.487 -1.397 0.000 1.175 6 N HN 0.317 nan 8.380 nan 0.000 0.477 7 F N 0.169 120.069 119.950 -0.083 0.000 2.551 7 F HA 0.450 4.975 4.527 -0.004 0.000 0.316 7 F C -0.170 175.722 175.800 0.153 0.000 1.089 7 F CA -0.983 57.082 58.000 0.109 0.000 0.915 7 F CB 1.335 40.484 39.000 0.248 0.000 1.186 7 F HN 0.135 nan 8.300 nan 0.000 0.456 8 L N 3.988 125.437 121.223 0.377 0.000 2.406 8 L HA 0.726 5.064 4.340 -0.004 0.000 0.270 8 L C -1.559 175.470 176.870 0.264 0.000 0.982 8 L CA -0.567 54.450 54.840 0.296 0.000 0.843 8 L CB 1.482 43.722 42.059 0.303 0.000 1.225 8 L HN 0.363 nan 8.230 nan 0.000 0.412 9 V N 6.931 126.961 119.914 0.194 0.000 2.350 9 V HA 0.497 4.614 4.120 -0.004 0.000 0.285 9 V C 0.013 176.252 176.094 0.242 0.000 1.014 9 V CA -0.309 62.143 62.300 0.254 0.000 0.831 9 V CB 1.343 33.336 31.823 0.282 0.000 1.000 9 V HN 0.592 nan 8.190 nan 0.000 0.433 10 I N 5.392 126.098 120.570 0.227 0.000 2.378 10 I HA 0.555 4.723 4.170 -0.004 0.000 0.291 10 I C -0.624 175.552 176.117 0.098 0.000 0.992 10 I CA -0.806 60.626 61.300 0.220 0.000 1.154 10 I CB 1.993 40.255 38.000 0.436 0.000 1.315 10 I HN 0.240 nan 8.210 nan 0.000 0.448 11 V N 5.503 125.447 119.914 0.050 0.000 2.444 11 V HA 0.607 4.725 4.120 -0.004 0.000 0.294 11 V C 0.363 176.488 176.094 0.051 0.000 1.022 11 V CA -0.609 61.662 62.300 -0.048 0.000 0.850 11 V CB 1.537 33.377 31.823 0.028 0.000 0.992 11 V HN 0.853 nan 8.190 nan 0.000 0.426 12 A N 2.988 125.778 122.820 -0.050 0.000 2.322 12 A HA 0.623 4.941 4.320 -0.004 0.000 0.269 12 A C -0.278 177.348 177.584 0.070 0.000 1.094 12 A CA -0.252 51.850 52.037 0.108 0.000 0.807 12 A CB 0.594 19.695 19.000 0.169 0.000 1.047 12 A HN 0.778 nan 8.150 nan 0.000 0.487 13 D N 0.847 121.306 120.400 0.098 0.000 2.460 13 D HA 0.399 5.036 4.640 -0.004 0.000 0.232 13 D C -0.751 175.617 176.300 0.114 0.000 1.079 13 D CA 0.233 54.293 54.000 0.100 0.000 0.864 13 D CB 0.311 41.164 40.800 0.088 0.000 1.048 13 D HN 0.465 nan 8.370 nan 0.000 0.523 14 D N 1.206 121.678 120.400 0.120 0.000 3.090 14 D HA -0.218 4.419 4.640 -0.004 0.000 0.215 14 D C 0.249 176.664 176.300 0.191 0.000 1.140 14 D CA 0.245 54.327 54.000 0.137 0.000 0.937 14 D CB -1.482 39.357 40.800 0.064 0.000 1.108 14 D HN 0.375 nan 8.370 nan 0.000 0.420 15 L N 0.888 122.210 121.223 0.166 0.000 2.490 15 L HA 0.438 4.776 4.340 -0.004 0.000 0.274 15 L C 1.205 178.217 176.870 0.236 0.000 1.201 15 L CA 0.826 55.791 54.840 0.208 0.000 0.869 15 L CB 0.657 42.811 42.059 0.158 0.000 1.123 15 L HN 0.103 nan 8.230 nan 0.000 0.484 16 G N 3.218 112.194 108.800 0.292 0.000 2.504 16 G HA2 0.162 4.120 3.960 -0.004 0.000 0.288 16 G HA3 0.162 4.120 3.960 -0.004 0.000 0.288 16 G C 0.249 175.286 174.900 0.228 0.000 1.182 16 G CA -0.294 44.966 45.100 0.268 0.000 0.894 16 G HN 0.781 nan 8.290 nan 0.000 0.521 17 F N 1.205 121.211 119.950 0.095 0.000 2.091 17 F HA -0.158 4.366 4.527 -0.004 0.000 0.299 17 F C 2.572 178.435 175.800 0.104 0.000 1.103 17 F CA 2.300 60.336 58.000 0.060 0.000 1.228 17 F CB 0.055 39.113 39.000 0.096 0.000 0.984 17 F HN 0.374 nan 8.300 nan 0.000 0.477 18 S N -1.677 114.057 115.700 0.056 0.000 2.582 18 S HA 0.117 4.585 4.470 -0.004 0.000 0.234 18 S C 1.177 175.832 174.600 0.093 0.000 0.961 18 S CA -0.098 58.111 58.200 0.016 0.000 0.953 18 S CB -0.314 62.960 63.200 0.123 0.000 0.800 18 S HN 0.277 nan 8.310 nan 0.000 0.471 19 D N 2.150 122.617 120.400 0.112 0.000 2.123 19 D HA 0.129 4.766 4.640 -0.004 0.000 0.200 19 D C 0.712 177.079 176.300 0.113 0.000 0.976 19 D CA 0.591 54.682 54.000 0.152 0.000 0.831 19 D CB -0.107 40.819 40.800 0.209 0.000 0.974 19 D HN 0.459 nan 8.370 nan 0.000 0.469 20 I N 0.862 121.483 120.570 0.084 0.000 2.634 20 I HA 0.015 4.183 4.170 -0.004 0.000 0.284 20 I C 2.008 178.194 176.117 0.115 0.000 1.124 20 I CA -0.147 61.202 61.300 0.081 0.000 1.417 20 I CB 1.581 39.631 38.000 0.083 0.000 1.396 20 I HN -0.048 nan 8.210 nan 0.000 0.571 21 G N 4.101 112.947 108.800 0.076 0.000 2.476 21 G HA2 -0.284 3.673 3.960 -0.004 0.000 0.218 21 G HA3 -0.284 3.673 3.960 -0.004 0.000 0.218 21 G C 1.529 176.452 174.900 0.039 0.000 1.164 21 G CA 0.875 46.010 45.100 0.058 0.000 0.768 21 G HN 0.791 nan 8.290 nan 0.000 0.560 22 A N -0.594 122.246 122.820 0.033 0.000 2.209 22 A HA 0.363 4.681 4.320 -0.004 0.000 0.212 22 A C 1.360 178.828 177.584 -0.193 0.000 1.158 22 A CA 0.447 52.441 52.037 -0.071 0.000 0.742 22 A CB -0.293 18.648 19.000 -0.098 0.000 0.790 22 A HN 0.307 nan 8.150 nan 0.000 0.472 23 F N -1.034 118.856 119.950 -0.101 0.000 2.708 23 F HA 0.416 4.941 4.527 -0.004 0.000 0.300 23 F C 1.555 177.262 175.800 -0.155 0.000 1.118 23 F CA 0.451 58.337 58.000 -0.191 0.000 1.307 23 F CB 0.595 39.403 39.000 -0.320 0.000 0.986 23 F HN 0.285 nan 8.300 nan 0.000 0.522 24 G N -0.101 108.725 108.800 0.044 0.000 2.163 24 G HA2 -0.130 3.828 3.960 -0.004 0.000 0.213 24 G HA3 -0.130 3.828 3.960 -0.004 0.000 0.213 24 G C 0.530 175.476 174.900 0.076 0.000 0.991 24 G CA -0.356 44.773 45.100 0.049 0.000 0.653 24 G HN 0.720 nan 8.290 nan 0.000 0.518 25 G N -0.220 108.635 108.800 0.091 0.000 2.488 25 G HA2 0.599 4.557 3.960 -0.004 0.000 0.318 25 G HA3 0.599 4.557 3.960 -0.004 0.000 0.318 25 G C 0.780 175.747 174.900 0.113 0.000 1.188 25 G CA 0.544 45.713 45.100 0.115 0.000 0.944 25 G HN 0.404 nan 8.290 nan 0.000 0.495 26 E N 0.083 120.371 120.200 0.146 0.000 2.447 26 E HA 0.018 4.366 4.350 -0.004 0.000 0.195 26 E C 0.676 177.398 176.600 0.203 0.000 1.028 26 E CA -0.091 56.396 56.400 0.146 0.000 0.876 26 E CB -0.000 29.782 29.700 0.138 0.000 0.885 26 E HN 0.464 nan 8.360 nan 0.000 0.500 27 I N 2.187 122.887 120.570 0.217 0.000 2.634 27 I HA 0.098 4.266 4.170 -0.004 0.000 0.284 27 I C 0.492 176.723 176.117 0.190 0.000 1.124 27 I CA -0.362 61.086 61.300 0.245 0.000 1.417 27 I CB 1.028 39.101 38.000 0.121 0.000 1.396 27 I HN -0.001 nan 8.210 nan 0.000 0.571 28 A N 4.463 127.431 122.820 0.246 0.000 2.444 28 A HA 0.346 4.664 4.320 -0.004 0.000 0.287 28 A C 0.552 178.186 177.584 0.084 0.000 1.195 28 A CA -0.119 51.999 52.037 0.136 0.000 0.858 28 A CB -0.587 18.483 19.000 0.117 0.000 1.117 28 A HN 0.804 nan 8.150 nan 0.000 0.521 29 T N 0.959 115.539 114.554 0.043 0.000 3.630 29 T HA 0.395 4.743 4.350 -0.004 0.000 0.238 29 T C -1.841 172.853 174.700 -0.010 0.000 1.195 29 T CA -0.932 61.167 62.100 -0.002 0.000 1.433 29 T CB 0.802 69.648 68.868 -0.037 0.000 0.940 29 T HN 0.401 nan 8.240 nan 0.000 0.641 30 P HA -0.091 nan 4.420 nan 0.000 0.218 30 P C 1.184 178.476 177.300 -0.014 0.000 1.149 30 P CA 0.978 64.079 63.100 0.003 0.000 0.817 30 P CB 0.229 31.941 31.700 0.019 0.000 0.785 31 N N 0.084 118.772 118.700 -0.020 0.000 2.135 31 N HA -0.036 4.701 4.740 -0.004 0.000 0.186 31 N C 2.066 177.539 175.510 -0.061 0.000 1.027 31 N CA 0.960 53.989 53.050 -0.035 0.000 0.849 31 N CB -0.728 37.738 38.487 -0.034 0.000 1.002 31 N HN 0.201 nan 8.380 nan 0.000 0.425 32 L N 1.255 122.411 121.223 -0.111 0.000 2.141 32 L HA -0.148 4.190 4.340 -0.004 0.000 0.209 32 L C 1.680 178.499 176.870 -0.084 0.000 1.094 32 L CA 0.953 55.693 54.840 -0.166 0.000 0.763 32 L CB -0.321 41.532 42.059 -0.343 0.000 0.908 32 L HN 0.008 nan 8.230 nan 0.000 0.437 33 D N 0.217 120.585 120.400 -0.053 0.000 2.117 33 D HA -0.167 4.471 4.640 -0.004 0.000 0.197 33 D C 2.238 178.518 176.300 -0.034 0.000 0.987 33 D CA 1.494 55.476 54.000 -0.031 0.000 0.829 33 D CB -0.060 40.727 40.800 -0.021 0.000 0.961 33 D HN 0.312 nan 8.370 nan 0.000 0.460 34 A N 0.457 123.258 122.820 -0.031 0.000 1.902 34 A HA -0.104 4.214 4.320 -0.004 0.000 0.217 34 A C 2.363 179.930 177.584 -0.027 0.000 1.181 34 A CA 0.857 52.877 52.037 -0.027 0.000 0.623 34 A CB -0.735 18.253 19.000 -0.021 0.000 0.818 34 A HN 0.204 nan 8.150 nan 0.000 0.443 35 L N -0.814 120.394 121.223 -0.025 0.000 2.046 35 L HA -0.191 4.146 4.340 -0.004 0.000 0.208 35 L C 3.090 179.949 176.870 -0.019 0.000 1.077 35 L CA 1.113 55.943 54.840 -0.017 0.000 0.747 35 L CB -0.523 41.531 42.059 -0.008 0.000 0.896 35 L HN 0.433 nan 8.230 nan 0.000 0.432 36 A N 0.773 123.582 122.820 -0.017 0.000 1.873 36 A HA -0.166 4.152 4.320 -0.004 0.000 0.215 36 A C 2.205 179.747 177.584 -0.070 0.000 1.186 36 A CA 1.754 53.779 52.037 -0.020 0.000 0.616 36 A CB -0.693 18.305 19.000 -0.003 0.000 0.823 36 A HN 0.542 nan 8.150 nan 0.000 0.442 37 I N -3.425 117.103 120.570 -0.070 0.000 2.617 37 I HA 0.102 4.269 4.170 -0.004 0.000 0.256 37 I C 2.208 178.287 176.117 -0.064 0.000 1.167 37 I CA 1.240 62.493 61.300 -0.078 0.000 1.469 37 I CB -0.290 37.670 38.000 -0.066 0.000 1.098 37 I HN 0.158 nan 8.210 nan 0.000 0.436 38 A N 1.465 124.254 122.820 -0.052 0.000 2.016 38 A HA 0.366 4.684 4.320 -0.004 0.000 0.217 38 A C 1.709 179.259 177.584 -0.057 0.000 1.162 38 A CA 0.903 52.911 52.037 -0.048 0.000 0.662 38 A CB -0.931 18.047 19.000 -0.037 0.000 0.812 38 A HN 0.538 nan 8.150 nan 0.000 0.450 39 G N -1.189 107.575 108.800 -0.060 0.000 2.695 39 G HA2 0.479 4.436 3.960 -0.004 0.000 0.213 39 G HA3 0.479 4.436 3.960 -0.004 0.000 0.213 39 G C -0.765 174.080 174.900 -0.091 0.000 1.406 39 G CA -0.400 44.655 45.100 -0.074 0.000 1.049 39 G HN 0.391 nan 8.290 nan 0.000 0.573 40 L N 0.194 121.353 121.223 -0.106 0.000 2.305 40 L HA 0.572 4.909 4.340 -0.004 0.000 0.284 40 L C 0.084 176.910 176.870 -0.073 0.000 1.013 40 L CA -0.598 54.171 54.840 -0.119 0.000 0.819 40 L CB 1.399 43.343 42.059 -0.192 0.000 1.227 40 L HN 0.389 nan 8.230 nan 0.000 0.417 41 R N 5.408 125.861 120.500 -0.079 0.000 2.254 41 R HA 0.592 4.930 4.340 -0.004 0.000 0.318 41 R C -1.142 175.198 176.300 0.067 0.000 1.031 41 R CA -0.499 55.578 56.100 -0.037 0.000 0.905 41 R CB 0.896 30.986 30.300 -0.348 0.000 1.050 41 R HN 0.587 nan 8.270 nan 0.000 0.456 42 L N 2.481 123.853 121.223 0.249 0.000 2.296 42 L HA 0.343 4.680 4.340 -0.004 0.000 0.286 42 L C 1.179 178.319 176.870 0.450 0.000 1.023 42 L CA -0.428 54.578 54.840 0.277 0.000 0.812 42 L CB 1.907 44.098 42.059 0.221 0.000 1.223 42 L HN 0.793 nan 8.230 nan 0.000 0.421 43 T N -3.799 110.988 114.554 0.388 0.000 3.044 43 T HA 0.090 4.438 4.350 -0.004 0.000 0.260 43 T C 0.464 175.333 174.700 0.282 0.000 1.019 43 T CA -0.083 62.305 62.100 0.480 0.000 0.921 43 T CB 0.119 69.302 68.868 0.524 0.000 1.053 43 T HN 0.424 nan 8.240 nan 0.000 0.533 44 D N 0.471 121.036 120.400 0.275 0.000 2.804 44 D HA 0.320 4.958 4.640 -0.004 0.000 0.308 44 D C -1.158 175.284 176.300 0.237 0.000 1.371 44 D CA -0.852 53.304 54.000 0.259 0.000 0.823 44 D CB -0.120 40.899 40.800 0.364 0.000 1.126 44 D HN 0.370 nan 8.370 nan 0.000 0.467 45 F N 1.029 120.968 119.950 -0.018 0.000 2.421 45 F HA 0.509 5.034 4.527 -0.004 0.000 0.337 45 F C -0.649 175.044 175.800 -0.177 0.000 1.105 45 F CA -0.390 57.626 58.000 0.027 0.000 1.049 45 F CB 0.774 39.856 39.000 0.135 0.000 1.139 45 F HN -0.049 nan 8.300 nan 0.000 0.479 46 H N 1.844 120.501 119.070 -0.688 0.000 2.637 46 H HA 0.488 5.041 4.556 -0.005 0.000 0.363 46 H C -0.007 175.077 175.328 -0.406 0.000 1.131 46 H CA -0.464 55.394 56.048 -0.318 0.000 1.183 46 H CB 1.855 31.664 29.762 0.078 0.000 1.637 46 H HN 0.697 nan 8.280 nan 0.000 0.531 47 T N -0.730 113.838 114.554 0.023 0.000 2.819 47 T HA 0.848 5.196 4.350 -0.004 0.000 0.271 47 T C 0.537 175.434 174.700 0.329 0.000 0.986 47 T CA -0.632 61.532 62.100 0.106 0.000 0.989 47 T CB 1.052 69.978 68.868 0.097 0.000 1.396 47 T HN 0.623 nan 8.240 nan 0.000 0.597 48 A N 0.384 123.339 122.820 0.225 0.000 2.257 48 A HA 0.595 4.912 4.320 -0.004 0.000 0.290 48 A C 1.536 179.211 177.584 0.152 0.000 1.201 48 A CA -0.025 52.168 52.037 0.260 0.000 0.863 48 A CB 0.094 19.098 19.000 0.008 0.000 1.256 48 A HN 1.266 nan 8.150 nan 0.000 0.506 49 S N -1.647 114.122 115.700 0.115 0.000 2.548 49 S HA 0.236 4.704 4.470 -0.004 0.000 0.215 49 S C 0.646 175.312 174.600 0.110 0.000 0.976 49 S CA 0.809 59.075 58.200 0.110 0.000 0.908 49 S CB -0.740 62.532 63.200 0.120 0.000 0.781 49 S HN 1.498 nan 8.310 nan 0.000 0.519 53 P HA -0.045 nan 4.420 nan 0.000 0.215 53 P C 1.477 178.615 177.300 -0.270 0.000 1.157 53 P CA 2.411 65.220 63.100 -0.485 0.000 0.874 53 P CB -0.429 30.703 31.700 -0.948 0.000 0.790 54 T N -0.784 113.664 114.554 -0.176 0.000 2.746 54 T HA -0.123 4.225 4.350 -0.004 0.000 0.267 54 T C 1.797 176.465 174.700 -0.054 0.000 1.039 54 T CA 1.293 63.356 62.100 -0.062 0.000 1.142 54 T CB -0.499 68.372 68.868 0.006 0.000 0.866 54 T HN 0.144 nan 8.240 nan 0.000 0.444 55 R N 1.289 121.739 120.500 -0.084 0.000 2.092 55 R HA -0.049 4.288 4.340 -0.004 0.000 0.231 55 R C 2.944 179.158 176.300 -0.144 0.000 1.119 55 R CA 1.553 57.604 56.100 -0.082 0.000 0.970 55 R CB -0.404 29.831 30.300 -0.108 0.000 0.864 55 R HN 0.466 nan 8.270 nan 0.000 0.440 56 S N 0.545 116.135 115.700 -0.184 0.000 2.399 56 S HA -0.159 4.309 4.470 -0.004 0.000 0.231 56 S C 2.001 176.526 174.600 -0.124 0.000 1.022 56 S CA 1.089 59.184 58.200 -0.175 0.000 0.983 56 S CB -0.127 62.964 63.200 -0.182 0.000 0.803 56 S HN 0.201 nan 8.310 nan 0.000 0.480 57 M N 0.369 119.915 119.600 -0.091 0.000 2.123 57 M HA 0.108 4.586 4.480 -0.004 0.000 0.263 57 M C 2.255 178.509 176.300 -0.076 0.000 1.069 57 M CA 1.188 56.446 55.300 -0.070 0.000 1.133 57 M CB -0.540 32.039 32.600 -0.036 0.000 1.356 57 M HN 0.398 nan 8.290 nan 0.000 0.415 58 L N 0.901 122.093 121.223 -0.051 0.000 2.012 58 L HA -0.150 4.188 4.340 -0.004 0.000 0.210 58 L C 1.785 178.592 176.870 -0.104 0.000 1.073 58 L CA 1.939 56.758 54.840 -0.035 0.000 0.748 58 L CB -0.477 41.596 42.059 0.024 0.000 0.891 58 L HN 0.281 nan 8.230 nan 0.000 0.431 59 L N -0.947 120.198 121.223 -0.130 0.000 2.612 59 L HA 0.070 4.408 4.340 -0.004 0.000 0.230 59 L C 1.428 178.186 176.870 -0.187 0.000 1.140 59 L CA 0.809 55.546 54.840 -0.172 0.000 0.896 59 L CB -0.791 41.181 42.059 -0.144 0.000 1.065 59 L HN 0.553 nan 8.230 nan 0.000 0.447 60 T N -6.546 107.910 114.554 -0.163 0.000 2.980 60 T HA 0.229 4.576 4.350 -0.004 0.000 0.252 60 T C 1.428 176.032 174.700 -0.160 0.000 0.962 60 T CA 0.584 62.589 62.100 -0.158 0.000 0.932 60 T CB 0.968 69.758 68.868 -0.131 0.000 1.188 60 T HN 0.200 nan 8.240 nan 0.000 0.500 61 G N 0.730 109.434 108.800 -0.159 0.000 2.159 61 G HA2 -0.199 3.759 3.960 -0.004 0.000 0.256 61 G HA3 -0.199 3.759 3.960 -0.004 0.000 0.256 61 G C 0.157 174.969 174.900 -0.146 0.000 0.977 61 G CA 0.645 45.645 45.100 -0.166 0.000 0.652 61 G HN 0.964 nan 8.290 nan 0.000 0.531 62 T N -1.136 113.342 114.554 -0.128 0.000 2.693 62 T HA 0.542 4.890 4.350 -0.004 0.000 0.278 62 T C -0.613 174.031 174.700 -0.093 0.000 0.994 62 T CA 0.453 62.485 62.100 -0.113 0.000 1.033 62 T CB 1.699 70.494 68.868 -0.121 0.000 1.342 62 T HN 0.252 nan 8.240 nan 0.000 0.538 63 D N -1.370 118.976 120.400 -0.089 0.000 2.304 63 D HA 0.238 4.876 4.640 -0.004 0.000 0.247 63 D C 1.339 177.571 176.300 -0.113 0.000 1.089 63 D CA -0.068 53.890 54.000 -0.070 0.000 0.910 63 D CB 0.742 41.517 40.800 -0.041 0.000 1.199 63 D HN 0.740 nan 8.370 nan 0.000 0.426 64 H N 0.443 119.404 119.070 -0.181 0.000 2.491 64 H HA -0.055 4.498 4.556 -0.004 0.000 0.290 64 H C 0.959 176.054 175.328 -0.387 0.000 1.050 64 H CA 1.423 57.294 56.048 -0.296 0.000 1.309 64 H CB -0.249 29.292 29.762 -0.369 0.000 1.392 64 H HN 0.534 nan 8.280 nan 0.000 0.554 65 H N -0.272 118.388 119.070 -0.683 0.000 2.524 65 H HA 0.098 4.651 4.556 -0.005 0.000 0.282 65 H C 1.722 176.847 175.328 -0.339 0.000 1.016 65 H CA 1.256 56.960 56.048 -0.573 0.000 1.270 65 H CB 0.173 29.602 29.762 -0.555 0.000 1.394 65 H HN 0.420 nan 8.280 nan 0.000 0.568 66 I N -0.302 120.165 120.570 -0.173 0.000 2.585 66 I HA -0.042 4.125 4.170 -0.004 0.000 0.254 66 I C 2.160 178.201 176.117 -0.127 0.000 1.129 66 I CA 0.718 61.940 61.300 -0.131 0.000 1.455 66 I CB 0.065 37.990 38.000 -0.125 0.000 1.111 66 I HN 0.250 nan 8.210 nan 0.000 0.433 67 A N -0.063 122.670 122.820 -0.146 0.000 2.251 67 A HA 0.400 4.718 4.320 -0.004 0.000 0.209 67 A C 1.685 179.182 177.584 -0.144 0.000 1.187 67 A CA 0.842 52.804 52.037 -0.126 0.000 0.823 67 A CB -0.196 18.731 19.000 -0.122 0.000 0.846 67 A HN 0.525 nan 8.150 nan 0.000 0.486 68 G N -1.125 107.560 108.800 -0.191 0.000 2.260 68 G HA2 -0.116 3.842 3.960 -0.004 0.000 0.179 68 G HA3 -0.116 3.842 3.960 -0.004 0.000 0.179 68 G C 0.082 174.815 174.900 -0.279 0.000 1.002 68 G CA 0.062 45.022 45.100 -0.233 0.000 0.677 68 G HN 0.354 nan 8.290 nan 0.000 0.486 69 I N 2.998 123.399 120.570 -0.282 0.000 3.207 69 I HA 0.348 4.516 4.170 -0.004 0.000 0.343 69 I C 1.904 177.807 176.117 -0.356 0.000 1.378 69 I CA 0.244 61.366 61.300 -0.296 0.000 1.004 69 I CB -0.387 37.446 38.000 -0.279 0.000 1.836 69 I HN 0.116 nan 8.210 nan 0.000 0.513 70 G N 1.465 109.845 108.800 -0.702 0.000 2.422 70 G HA2 -0.131 3.827 3.960 -0.004 0.000 0.218 70 G HA3 -0.131 3.827 3.960 -0.004 0.000 0.218 70 G C 0.856 175.282 174.900 -0.790 0.000 1.146 70 G CA 0.856 45.195 45.100 -1.268 0.000 0.769 70 G HN 0.443 nan 8.290 nan 0.000 0.547 71 T N -0.653 113.605 114.554 -0.493 0.000 2.907 71 T HA 0.551 4.898 4.350 -0.004 0.000 0.290 71 T C -0.045 174.530 174.700 -0.209 0.000 1.066 71 T CA -0.842 61.121 62.100 -0.228 0.000 1.012 71 T CB 1.031 69.901 68.868 0.003 0.000 1.184 71 T HN 0.032 nan 8.240 nan 0.000 0.522 72 M N 2.430 121.912 119.600 -0.197 0.000 2.249 72 M HA 0.215 4.693 4.480 -0.004 0.000 0.340 72 M C 1.746 178.032 176.300 -0.023 0.000 1.166 72 M CA -0.159 55.072 55.300 -0.114 0.000 1.115 72 M CB 0.599 33.206 32.600 0.013 0.000 1.606 72 M HN 0.863 nan 8.290 nan 0.000 0.448 73 A N 2.498 125.295 122.820 -0.038 0.000 1.948 73 A HA -0.176 4.141 4.320 -0.004 0.000 0.220 73 A C 1.734 179.364 177.584 0.077 0.000 1.177 73 A CA 1.863 53.914 52.037 0.022 0.000 0.636 73 A CB -0.524 18.496 19.000 0.033 0.000 0.815 73 A HN 0.914 nan 8.150 nan 0.000 0.449 74 E N -0.558 119.711 120.200 0.114 0.000 2.409 74 E HA 0.148 4.495 4.350 -0.004 0.000 0.198 74 E C 1.313 178.001 176.600 0.147 0.000 1.024 74 E CA 0.848 57.336 56.400 0.147 0.000 0.861 74 E CB -0.132 29.691 29.700 0.205 0.000 0.788 74 E HN 0.588 nan 8.360 nan 0.000 0.521 75 A N 0.123 123.034 122.820 0.151 0.000 2.564 75 A HA 0.263 4.581 4.320 -0.004 0.000 0.279 75 A C 0.150 177.815 177.584 0.135 0.000 1.232 75 A CA -0.399 51.740 52.037 0.170 0.000 0.950 75 A CB 0.140 19.326 19.000 0.310 0.000 1.138 75 A HN 0.082 nan 8.150 nan 0.000 0.526 76 L N 1.623 122.909 121.223 0.106 0.000 2.426 76 L HA 0.305 4.643 4.340 -0.004 0.000 0.271 76 L C 0.922 177.838 176.870 0.077 0.000 1.169 76 L CA 0.096 54.994 54.840 0.096 0.000 0.836 76 L CB 1.382 43.490 42.059 0.082 0.000 1.112 76 L HN 0.484 nan 8.230 nan 0.000 0.465 77 T N -1.104 113.490 114.554 0.067 0.000 2.932 77 T HA 0.419 4.767 4.350 -0.004 0.000 0.289 77 T C -1.947 172.770 174.700 0.027 0.000 1.039 77 T CA -1.923 60.204 62.100 0.044 0.000 1.024 77 T CB 1.874 70.766 68.868 0.039 0.000 1.090 77 T HN 0.335 nan 8.240 nan 0.000 0.496 78 P HA -0.094 nan 4.420 nan 0.000 0.218 78 P C 0.808 178.105 177.300 -0.004 0.000 1.146 78 P CA 1.173 64.280 63.100 0.010 0.000 0.813 78 P CB 0.096 31.802 31.700 0.010 0.000 0.778 79 E N -0.611 119.583 120.200 -0.010 0.000 2.274 79 E HA -0.026 4.322 4.350 -0.004 0.000 0.194 79 E C 2.017 178.579 176.600 -0.064 0.000 0.996 79 E CA 0.697 57.078 56.400 -0.032 0.000 0.840 79 E CB -0.684 28.999 29.700 -0.029 0.000 0.772 79 E HN 0.281 nan 8.360 nan 0.000 0.491 80 L N 0.293 121.481 121.223 -0.059 0.000 2.408 80 L HA 0.126 4.463 4.340 -0.004 0.000 0.215 80 L C 1.256 178.089 176.870 -0.063 0.000 1.081 80 L CA 0.164 54.933 54.840 -0.118 0.000 0.840 80 L CB -0.434 41.587 42.059 -0.063 0.000 1.002 80 L HN 0.100 nan 8.230 nan 0.000 0.468 81 E N 0.699 120.893 120.200 -0.011 0.000 2.608 81 E HA 0.287 4.635 4.350 -0.004 0.000 0.259 81 E C 1.217 177.809 176.600 -0.013 0.000 0.951 81 E CA 0.678 57.081 56.400 0.006 0.000 0.945 81 E CB -0.358 29.351 29.700 0.014 0.000 0.916 81 E HN 0.502 nan 8.360 nan 0.000 0.477 82 G N 0.245 109.044 108.800 -0.001 0.000 2.313 82 G HA2 0.061 4.019 3.960 -0.004 0.000 0.215 82 G HA3 0.061 4.019 3.960 -0.004 0.000 0.215 82 G C 1.014 175.903 174.900 -0.018 0.000 1.023 82 G CA 0.619 45.713 45.100 -0.010 0.000 0.626 82 G HN 1.745 nan 8.290 nan 0.000 0.503 83 K N 2.845 123.219 120.400 -0.044 0.000 2.448 83 K HA 0.586 4.904 4.320 -0.004 0.000 0.278 83 K C -1.593 175.031 176.600 0.040 0.000 1.009 83 K CA -0.451 55.799 56.287 -0.061 0.000 0.995 83 K CB -0.679 31.674 32.500 -0.244 0.000 0.917 83 K HN 0.458 nan 8.250 nan 0.000 0.481 84 P HA 0.155 nan 4.420 nan 0.000 0.267 84 P C 0.879 178.239 177.300 0.101 0.000 1.209 84 P CA 1.423 64.544 63.100 0.036 0.000 0.763 84 P CB 0.707 32.406 31.700 -0.001 0.000 0.816 85 G N 2.818 111.642 108.800 0.041 0.000 2.194 85 G HA2 -0.288 3.669 3.960 -0.004 0.000 0.236 85 G HA3 -0.288 3.669 3.960 -0.004 0.000 0.236 85 G C 0.118 174.950 174.900 -0.112 0.000 0.987 85 G CA -0.286 44.790 45.100 -0.039 0.000 0.635 85 G HN 0.490 nan 8.290 nan 0.000 0.520 86 Y N 1.162 121.400 120.300 -0.103 0.000 2.756 86 Y HA 0.466 5.013 4.550 -0.005 0.000 0.300 86 Y C 1.751 177.573 175.900 -0.129 0.000 1.113 86 Y CA 0.172 58.213 58.100 -0.097 0.000 1.291 86 Y CB 0.497 38.923 38.460 -0.058 0.000 1.175 86 Y HN 0.289 nan 8.280 nan 0.000 0.534 87 E N -0.016 120.108 120.200 -0.126 0.000 2.268 87 E HA 0.038 4.385 4.350 -0.004 0.000 0.195 87 E C 2.083 178.518 176.600 -0.274 0.000 0.995 87 E CA 1.095 57.344 56.400 -0.252 0.000 0.836 87 E CB -0.128 29.241 29.700 -0.552 0.000 0.763 87 E HN 0.505 nan 8.360 nan 0.000 0.491 88 G N 0.589 109.247 108.800 -0.237 0.000 2.157 88 G HA2 -0.253 3.704 3.960 -0.004 0.000 0.239 88 G HA3 -0.253 3.704 3.960 -0.004 0.000 0.239 88 G C 0.056 174.925 174.900 -0.051 0.000 0.982 88 G CA 0.288 45.323 45.100 -0.108 0.000 0.650 88 G HN 0.514 nan 8.290 nan 0.000 0.527 89 H N -2.578 116.460 119.070 -0.053 0.000 3.014 89 H HA 0.574 5.128 4.556 -0.004 0.000 0.337 89 H C -0.729 174.558 175.328 -0.069 0.000 1.320 89 H CA -1.205 54.810 56.048 -0.054 0.000 1.128 89 H CB 1.035 30.809 29.762 0.020 0.000 1.862 89 H HN 0.427 nan 8.280 nan 0.000 0.536 90 L N 3.229 124.501 121.223 0.081 0.000 2.559 90 L HA 0.042 4.380 4.340 -0.004 0.000 0.274 90 L C 0.169 177.145 176.870 0.177 0.000 1.205 90 L CA 0.203 55.062 54.840 0.033 0.000 0.907 90 L CB -0.220 41.840 42.059 0.001 0.000 1.153 90 L HN 0.803 nan 8.230 nan 0.000 0.490 91 N N 2.734 121.469 118.700 0.059 0.000 2.643 91 N HA 0.213 4.951 4.740 -0.004 0.000 0.305 91 N C 0.031 175.598 175.510 0.095 0.000 1.283 91 N CA -0.328 52.780 53.050 0.097 0.000 0.946 91 N CB 0.264 38.731 38.487 -0.033 0.000 1.149 91 N HN 0.576 nan 8.380 nan 0.000 0.600 92 E N -1.363 118.893 120.200 0.093 0.000 2.476 92 E HA 0.168 4.515 4.350 -0.004 0.000 0.196 92 E C 0.547 177.187 176.600 0.067 0.000 1.029 92 E CA -0.103 56.353 56.400 0.093 0.000 0.896 92 E CB 0.189 29.951 29.700 0.103 0.000 1.012 92 E HN 0.419 nan 8.360 nan 0.000 0.475 93 R N 0.478 120.999 120.500 0.034 0.000 2.323 93 R HA 0.025 4.363 4.340 -0.004 0.000 0.198 93 R C 0.739 177.040 176.300 0.002 0.000 0.988 93 R CA 0.257 56.366 56.100 0.015 0.000 1.041 93 R CB 0.284 30.579 30.300 -0.009 0.000 0.926 93 R HN -0.030 nan 8.270 nan 0.000 0.476 94 V N -4.196 115.716 119.914 -0.003 0.000 3.040 94 V HA 0.568 4.686 4.120 -0.004 0.000 0.312 94 V C -0.525 175.526 176.094 -0.071 0.000 1.115 94 V CA -1.170 61.107 62.300 -0.038 0.000 0.998 94 V CB 2.112 33.896 31.823 -0.065 0.000 1.042 94 V HN -0.243 nan 8.190 nan 0.000 0.433 95 V N 2.338 122.145 119.914 -0.179 0.000 2.483 95 V HA 0.904 5.022 4.120 -0.004 0.000 0.295 95 V C 0.593 176.465 176.094 -0.369 0.000 1.035 95 V CA 0.264 62.313 62.300 -0.418 0.000 0.896 95 V CB 1.419 32.708 31.823 -0.891 0.000 0.986 95 V HN 1.686 nan 8.190 nan 0.000 0.447 96 A N 5.059 127.655 122.820 -0.374 0.000 2.302 96 A HA 0.537 4.854 4.320 -0.004 0.000 0.285 96 A C 0.732 178.058 177.584 -0.429 0.000 1.105 96 A CA -0.308 51.545 52.037 -0.306 0.000 0.816 96 A CB 0.917 19.810 19.000 -0.179 0.000 1.067 96 A HN 1.199 nan 8.150 nan 0.000 0.489 97 L N 2.906 123.870 121.223 -0.431 0.000 1.990 97 L HA -0.085 4.253 4.340 -0.004 0.000 0.213 97 L C -0.559 175.876 176.870 -0.724 0.000 1.072 97 L CA 3.027 57.519 54.840 -0.581 0.000 0.755 97 L CB -1.142 40.543 42.059 -0.625 0.000 0.889 97 L HN 0.587 nan 8.230 nan 0.000 0.432 98 P HA -0.183 nan 4.420 nan 0.000 0.218 98 P C 1.252 178.245 177.300 -0.511 0.000 1.149 98 P CA 1.556 64.179 63.100 -0.795 0.000 0.817 98 P CB -0.062 30.988 31.700 -1.083 0.000 0.785 99 E N -0.035 119.903 120.200 -0.437 0.000 2.077 99 E HA -0.122 4.225 4.350 -0.004 0.000 0.193 99 E C 2.240 178.678 176.600 -0.270 0.000 0.989 99 E CA 0.949 57.169 56.400 -0.300 0.000 0.800 99 E CB -0.508 28.946 29.700 -0.410 0.000 0.746 99 E HN 0.275 nan 8.360 nan 0.000 0.452 100 L N 0.426 121.393 121.223 -0.427 0.000 2.072 100 L HA -0.143 4.195 4.340 -0.004 0.000 0.205 100 L C 2.410 179.135 176.870 -0.241 0.000 1.079 100 L CA 0.746 55.379 54.840 -0.344 0.000 0.752 100 L CB -0.279 41.510 42.059 -0.450 0.000 0.906 100 L HN 0.158 nan 8.230 nan 0.000 0.436 101 L N -0.639 120.382 121.223 -0.337 0.000 2.109 101 L HA -0.130 4.208 4.340 -0.004 0.000 0.207 101 L C 2.799 179.641 176.870 -0.047 0.000 1.086 101 L CA 0.865 55.534 54.840 -0.285 0.000 0.760 101 L CB -0.448 41.285 42.059 -0.543 0.000 0.910 101 L HN 0.235 nan 8.230 nan 0.000 0.437 102 R N 1.127 121.588 120.500 -0.066 0.000 2.096 102 R HA -0.200 4.138 4.340 -0.004 0.000 0.235 102 R C 2.012 178.340 176.300 0.047 0.000 1.127 102 R CA 1.824 57.935 56.100 0.019 0.000 0.968 102 R CB -0.043 30.239 30.300 -0.032 0.000 0.861 102 R HN 0.560 nan 8.270 nan 0.000 0.440 103 E N -0.936 119.288 120.200 0.041 0.000 2.511 103 E HA -0.017 4.330 4.350 -0.004 0.000 0.196 103 E C 0.700 177.336 176.600 0.061 0.000 1.066 103 E CA 0.694 57.132 56.400 0.063 0.000 0.871 103 E CB 0.360 30.127 29.700 0.111 0.000 0.863 103 E HN 0.315 nan 8.360 nan 0.000 0.520 104 A N 0.741 123.606 122.820 0.074 0.000 2.500 104 A HA 0.565 4.883 4.320 -0.004 0.000 0.267 104 A C 1.480 179.154 177.584 0.151 0.000 1.290 104 A CA 0.125 52.221 52.037 0.100 0.000 0.928 104 A CB 0.052 19.109 19.000 0.095 0.000 1.066 104 A HN 0.436 nan 8.150 nan 0.000 0.516 105 G N -1.786 107.092 108.800 0.130 0.000 2.195 105 G HA2 -0.266 3.691 3.960 -0.004 0.000 0.224 105 G HA3 -0.266 3.691 3.960 -0.004 0.000 0.224 105 G C -0.003 174.954 174.900 0.095 0.000 0.990 105 G CA 0.043 45.196 45.100 0.088 0.000 0.639 105 G HN 0.364 nan 8.290 nan 0.000 0.514 106 Y N 1.532 121.857 120.300 0.043 0.000 2.336 106 Y HA 0.496 5.044 4.550 -0.004 0.000 0.331 106 Y C 1.256 177.221 175.900 0.109 0.000 1.211 106 Y CA 0.132 58.283 58.100 0.086 0.000 1.346 106 Y CB 0.647 39.174 38.460 0.113 0.000 1.271 106 Y HN 0.248 nan 8.280 nan 0.000 0.538 107 Q N 1.578 121.547 119.800 0.281 0.000 2.294 107 Q HA 0.291 4.629 4.340 -0.004 0.000 0.257 107 Q C -0.552 175.667 176.000 0.366 0.000 0.955 107 Q CA -0.566 55.393 55.803 0.260 0.000 0.936 107 Q CB 0.708 29.583 28.738 0.228 0.000 1.188 107 Q HN 0.640 nan 8.270 nan 0.000 0.420 108 T N 1.079 115.811 114.554 0.296 0.000 2.756 108 T HA 0.672 5.020 4.350 -0.004 0.000 0.290 108 T C -0.349 174.631 174.700 0.465 0.000 0.985 108 T CA -0.771 61.569 62.100 0.400 0.000 0.955 108 T CB 0.374 69.314 68.868 0.121 0.000 0.930 108 T HN 0.364 nan 8.240 nan 0.000 0.451 109 L N 3.759 125.311 121.223 0.547 0.000 2.385 109 L HA 0.728 5.065 4.340 -0.004 0.000 0.273 109 L C -0.403 176.674 176.870 0.344 0.000 0.990 109 L CA -0.987 54.078 54.840 0.375 0.000 0.821 109 L CB 2.280 44.496 42.059 0.262 0.000 1.279 109 L HN 0.662 nan 8.230 nan 0.000 0.412 110 M N 2.913 122.609 119.600 0.160 0.000 2.433 110 M HA 0.863 5.340 4.480 -0.004 0.000 0.290 110 M C -1.985 174.319 176.300 0.006 0.000 1.173 110 M CA -0.359 54.877 55.300 -0.107 0.000 0.905 110 M CB 2.687 34.850 32.600 -0.728 0.000 1.692 110 M HN 0.729 nan 8.290 nan 0.000 0.462 111 A N 3.072 125.808 122.820 -0.141 0.000 2.429 111 A HA 0.915 5.232 4.320 -0.004 0.000 0.289 111 A C -0.440 176.808 177.584 -0.559 0.000 1.043 111 A CA 0.236 52.212 52.037 -0.102 0.000 0.722 111 A CB 1.208 20.229 19.000 0.033 0.000 1.243 111 A HN 1.482 nan 8.150 nan 0.000 0.415 112 G N 0.951 109.229 108.800 -0.869 0.000 2.332 112 G HA2 0.319 4.276 3.960 -0.004 0.000 0.265 112 G HA3 0.319 4.276 3.960 -0.004 0.000 0.265 112 G C -0.855 173.463 174.900 -0.970 0.000 1.329 112 G CA -0.369 43.676 45.100 -1.757 0.000 0.949 112 G HN 0.886 nan 8.290 nan 0.000 0.476 113 K N 0.196 120.174 120.400 -0.703 0.000 2.298 113 K HA 0.354 4.672 4.320 -0.004 0.000 0.280 113 K C 0.704 177.252 176.600 -0.086 0.000 1.032 113 K CA -0.546 55.553 56.287 -0.312 0.000 0.958 113 K CB 0.704 33.059 32.500 -0.242 0.000 0.978 113 K HN 0.615 nan 8.250 nan 0.000 0.472 114 W N 4.313 125.487 121.300 -0.211 0.000 2.848 114 W HA -0.050 4.608 4.660 -0.003 0.000 0.288 114 W C 0.222 176.774 176.519 0.055 0.000 1.060 114 W CA 1.017 58.318 57.345 -0.073 0.000 1.712 114 W CB 0.067 29.471 29.460 -0.092 0.000 1.155 114 W HN 0.958 nan 8.180 nan 0.000 0.540 115 H N -0.165 118.825 119.070 -0.133 0.000 2.992 115 H HA -0.200 4.354 4.556 -0.005 0.000 0.266 115 H C 0.192 175.288 175.328 -0.386 0.000 1.200 115 H CA 0.757 56.672 56.048 -0.222 0.000 1.135 115 H CB -1.189 28.460 29.762 -0.188 0.000 1.282 115 H HN 0.172 nan 8.280 nan 0.000 0.351 116 L N -0.015 120.812 121.223 -0.660 0.000 3.122 116 L HA 0.445 4.782 4.340 -0.004 0.000 0.274 116 L C 0.907 177.699 176.870 -0.130 0.000 1.222 116 L CA 0.552 54.997 54.840 -0.659 0.000 1.028 116 L CB 1.547 42.899 42.059 -1.179 0.000 1.386 116 L HN 0.419 nan 8.230 nan 0.000 0.578 117 G N -0.384 108.480 108.800 0.108 0.000 2.318 117 G HA2 0.088 4.045 3.960 -0.004 0.000 0.302 117 G HA3 0.088 4.045 3.960 -0.004 0.000 0.302 117 G C -0.470 174.597 174.900 0.278 0.000 1.633 117 G CA -0.846 44.398 45.100 0.240 0.000 0.965 117 G HN -0.036 nan 8.290 nan 0.000 0.698 118 L N -0.254 121.077 121.223 0.179 0.000 2.590 118 L HA 0.235 4.572 4.340 -0.004 0.000 0.227 118 L C 1.447 178.431 176.870 0.190 0.000 1.099 118 L CA 0.185 55.124 54.840 0.165 0.000 0.872 118 L CB -0.006 42.124 42.059 0.117 0.000 1.088 118 L HN 0.308 nan 8.230 nan 0.000 0.479 119 K N -0.401 120.080 120.400 0.136 0.000 2.095 119 K HA 0.288 4.606 4.320 -0.004 0.000 0.252 119 K C -1.733 174.961 176.600 0.157 0.000 0.977 119 K CA -1.283 55.070 56.287 0.109 0.000 0.900 119 K CB 1.411 33.918 32.500 0.011 0.000 1.060 119 K HN -0.277 nan 8.250 nan 0.000 0.449 120 P HA -0.248 nan 4.420 nan 0.000 0.216 120 P C 1.099 178.465 177.300 0.110 0.000 1.157 120 P CA 1.326 64.529 63.100 0.172 0.000 0.880 120 P CB 0.182 31.937 31.700 0.092 0.000 0.791 121 E N -0.165 120.073 120.200 0.065 0.000 2.494 121 E HA -0.124 4.224 4.350 -0.004 0.000 0.193 121 E C 0.829 177.470 176.600 0.069 0.000 1.074 121 E CA 0.701 57.138 56.400 0.061 0.000 0.867 121 E CB -0.446 29.273 29.700 0.032 0.000 0.924 121 E HN 0.429 nan 8.360 nan 0.000 0.502 122 Q N 0.864 120.715 119.800 0.084 0.000 2.189 122 Q HA 0.096 4.433 4.340 -0.004 0.000 0.223 122 Q C 0.388 176.562 176.000 0.290 0.000 0.828 122 Q CA 0.206 56.109 55.803 0.166 0.000 0.967 122 Q CB 1.154 29.938 28.738 0.077 0.000 1.139 122 Q HN 0.304 nan 8.270 nan 0.000 0.497 123 T N -2.036 112.571 114.554 0.089 0.000 2.788 123 T HA 0.142 4.489 4.350 -0.004 0.000 0.287 123 T C -1.943 172.478 174.700 -0.464 0.000 1.007 123 T CA -1.499 60.467 62.100 -0.223 0.000 1.005 123 T CB 0.751 69.501 68.868 -0.198 0.000 1.012 123 T HN -0.230 nan 8.240 nan 0.000 0.530 124 P HA -0.160 nan 4.420 nan 0.000 0.216 124 P C 1.362 178.605 177.300 -0.096 0.000 1.153 124 P CA 1.463 64.098 63.100 -0.775 0.000 0.858 124 P CB -0.198 30.959 31.700 -0.905 0.000 0.789 125 H N -0.261 118.709 119.070 -0.167 0.000 2.422 125 H HA -0.081 4.472 4.556 -0.004 0.000 0.298 125 H C 1.717 177.042 175.328 -0.005 0.000 1.098 125 H CA 1.871 57.893 56.048 -0.043 0.000 1.315 125 H CB -0.459 29.266 29.762 -0.062 0.000 1.382 125 H HN 0.019 nan 8.280 nan 0.000 0.523 126 A N -0.119 122.747 122.820 0.077 0.000 2.072 126 A HA 0.055 4.372 4.320 -0.004 0.000 0.216 126 A C 1.481 179.098 177.584 0.055 0.000 1.156 126 A CA 0.609 52.687 52.037 0.068 0.000 0.701 126 A CB 0.257 19.324 19.000 0.111 0.000 0.816 126 A HN 0.214 nan 8.150 nan 0.000 0.458 127 R N -1.046 119.498 120.500 0.074 0.000 2.767 127 R HA 0.342 4.680 4.340 -0.004 0.000 0.377 127 R C 0.744 177.048 176.300 0.006 0.000 1.151 127 R CA 0.388 56.556 56.100 0.114 0.000 1.046 127 R CB -0.214 30.265 30.300 0.299 0.000 1.404 127 R HN 0.702 nan 8.270 nan 0.000 0.580 128 G N 0.016 108.766 108.800 -0.082 0.000 2.229 128 G HA2 -0.218 3.740 3.960 -0.004 0.000 0.189 128 G HA3 -0.218 3.740 3.960 -0.004 0.000 0.189 128 G C -0.262 174.431 174.900 -0.344 0.000 1.000 128 G CA -0.707 44.250 45.100 -0.238 0.000 0.663 128 G HN 0.198 nan 8.290 nan 0.000 0.493 129 F N 2.295 122.213 119.950 -0.054 0.000 2.391 129 F HA 0.425 4.950 4.527 -0.004 0.000 0.359 129 F C 1.662 177.418 175.800 -0.073 0.000 1.122 129 F CA -0.198 57.792 58.000 -0.016 0.000 1.120 129 F CB 1.350 40.339 39.000 -0.019 0.000 1.142 129 F HN 0.325 nan 8.300 nan 0.000 0.483 130 E N 2.900 123.162 120.200 0.102 0.000 2.152 130 E HA -0.035 4.313 4.350 -0.004 0.000 0.192 130 E C -0.010 176.598 176.600 0.014 0.000 0.983 130 E CA 0.767 57.183 56.400 0.027 0.000 0.818 130 E CB 0.309 30.023 29.700 0.025 0.000 0.758 130 E HN 0.512 nan 8.360 nan 0.000 0.467 131 R N 0.737 121.214 120.500 -0.038 0.000 2.628 131 R HA 0.434 4.771 4.340 -0.004 0.000 0.288 131 R C -1.306 174.856 176.300 -0.229 0.000 0.980 131 R CA -0.402 55.509 56.100 -0.316 0.000 0.891 131 R CB 2.198 31.982 30.300 -0.861 0.000 1.188 131 R HN 0.190 nan 8.270 nan 0.000 0.450 132 S N 1.630 117.260 115.700 -0.117 0.000 2.548 132 S HA 0.522 4.989 4.470 -0.004 0.000 0.278 132 S C -1.393 173.345 174.600 0.229 0.000 1.150 132 S CA -0.888 57.341 58.200 0.048 0.000 0.907 132 S CB 1.423 64.543 63.200 -0.134 0.000 1.108 132 S HN 0.540 nan 8.310 nan 0.000 0.459 133 F N 2.317 122.362 119.950 0.158 0.000 2.496 133 F HA 0.743 5.268 4.527 -0.004 0.000 0.341 133 F C -0.865 175.010 175.800 0.124 0.000 1.134 133 F CA 0.073 58.180 58.000 0.178 0.000 0.968 133 F CB 1.570 40.708 39.000 0.230 0.000 1.205 133 F HN 0.764 nan 8.300 nan 0.000 0.436 134 S N 6.095 121.541 115.700 -0.424 0.000 2.548 134 S HA 0.464 4.931 4.470 -0.004 0.000 0.276 134 S C -1.436 172.894 174.600 -0.449 0.000 1.129 134 S CA -0.657 57.347 58.200 -0.326 0.000 0.931 134 S CB 1.905 64.900 63.200 -0.343 0.000 1.068 134 S HN 0.711 nan 8.310 nan 0.000 0.480 135 L N 4.015 124.947 121.223 -0.484 0.000 2.315 135 L HA 0.383 4.721 4.340 -0.004 0.000 0.283 135 L C 0.556 177.193 176.870 -0.388 0.000 1.089 135 L CA 0.174 54.531 54.840 -0.806 0.000 0.833 135 L CB -0.214 41.508 42.059 -0.560 0.000 1.170 135 L HN 0.820 nan 8.230 nan 0.000 0.442 136 L N 5.029 126.057 121.223 -0.325 0.000 2.095 136 L HA 0.131 4.469 4.340 -0.004 0.000 0.204 136 L C -1.268 175.583 176.870 -0.032 0.000 1.080 136 L CA 0.036 54.835 54.840 -0.069 0.000 0.759 136 L CB -1.236 40.799 42.059 -0.040 0.000 0.914 136 L HN 0.544 nan 8.230 nan 0.000 0.439 137 P HA 0.017 nan 4.420 nan 0.000 0.282 137 P C 0.766 177.812 177.300 -0.423 0.000 1.286 137 P CA 0.227 63.230 63.100 -0.162 0.000 0.777 137 P CB 0.344 31.951 31.700 -0.155 0.000 1.184 138 G N -1.471 106.896 108.800 -0.723 0.000 2.623 138 G HA2 0.350 4.308 3.960 -0.004 0.000 0.214 138 G HA3 0.350 4.308 3.960 -0.004 0.000 0.214 138 G C 0.232 174.635 174.900 -0.829 0.000 1.138 138 G CA 0.857 45.167 45.100 -1.316 0.000 0.794 138 G HN 0.763 nan 8.290 nan 0.000 0.535 139 A N -1.930 120.549 122.820 -0.567 0.000 2.540 139 A HA 0.915 5.233 4.320 -0.004 0.000 0.291 139 A C -1.050 176.388 177.584 -0.243 0.000 1.083 139 A CA 0.148 51.862 52.037 -0.538 0.000 0.650 139 A CB 0.639 19.222 19.000 -0.694 0.000 1.292 139 A HN 1.673 nan 8.150 nan 0.000 0.435 140 A N 0.194 122.908 122.820 -0.177 0.000 2.522 140 A HA 0.632 4.949 4.320 -0.004 0.000 0.291 140 A C -0.989 176.562 177.584 -0.055 0.000 1.039 140 A CA -0.321 51.706 52.037 -0.018 0.000 0.643 140 A CB 0.376 19.377 19.000 0.002 0.000 1.310 140 A HN 1.362 nan 8.150 nan 0.000 0.436 141 N N 0.395 119.176 118.700 0.135 0.000 2.447 141 N HA -0.024 4.714 4.740 -0.004 0.000 0.263 141 N C 0.415 176.004 175.510 0.133 0.000 1.226 141 N CA 0.199 53.368 53.050 0.199 0.000 0.906 141 N CB 0.266 38.989 38.487 0.393 0.000 1.060 141 N HN 0.664 nan 8.380 nan 0.000 0.468 142 H N 3.482 122.684 119.070 0.220 0.000 2.524 142 H HA -0.090 4.463 4.556 -0.004 0.000 0.282 142 H C 0.267 175.606 175.328 0.017 0.000 1.016 142 H CA 1.072 57.130 56.048 0.017 0.000 1.270 142 H CB 0.370 30.009 29.762 -0.206 0.000 1.394 142 H HN 0.642 nan 8.280 nan 0.000 0.568 143 Y N -0.465 120.125 120.300 0.484 0.000 2.467 143 Y HA 0.246 4.794 4.550 -0.004 0.000 0.250 143 Y C 1.772 177.914 175.900 0.404 0.000 1.155 143 Y CA 0.343 58.731 58.100 0.480 0.000 1.249 143 Y CB 0.778 39.463 38.460 0.375 0.000 1.146 143 Y HN 0.240 nan 8.280 nan 0.000 0.524 144 G N 0.588 109.642 108.800 0.423 0.000 2.143 144 G HA2 -0.348 3.610 3.960 -0.004 0.000 0.248 144 G HA3 -0.348 3.610 3.960 -0.004 0.000 0.248 144 G C 0.015 175.087 174.900 0.287 0.000 0.991 144 G CA 0.014 45.247 45.100 0.221 0.000 0.689 144 G HN 0.286 nan 8.290 nan 0.000 0.522 145 F N 2.294 122.398 119.950 0.256 0.000 2.471 145 F HA 0.578 5.102 4.527 -0.005 0.000 0.365 145 F C 0.229 176.153 175.800 0.207 0.000 1.095 145 F CA -1.192 56.929 58.000 0.202 0.000 1.174 145 F CB 0.681 39.807 39.000 0.210 0.000 1.105 145 F HN 0.086 nan 8.300 nan 0.000 0.535 146 E N 8.213 128.050 120.200 -0.605 0.000 2.191 146 E HA 0.337 4.684 4.350 -0.004 0.000 0.278 146 E C -2.340 173.728 176.600 -0.887 0.000 0.972 146 E CA -1.985 54.117 56.400 -0.496 0.000 0.804 146 E CB 1.129 30.744 29.700 -0.141 0.000 1.110 146 E HN 0.422 nan 8.360 nan 0.000 0.394 147 P HA 0.275 nan 4.420 nan 0.000 0.276 147 P C -2.527 174.378 177.300 -0.657 0.000 1.261 147 P CA -1.479 61.282 63.100 -0.564 0.000 0.800 147 P CB -0.327 31.295 31.700 -0.129 0.000 1.066 148 P HA 0.070 nan 4.420 nan 0.000 0.268 148 P C -1.058 176.021 177.300 -0.368 0.000 1.205 148 P CA 0.430 63.352 63.100 -0.297 0.000 0.771 148 P CB -0.029 31.594 31.700 -0.129 0.000 0.858 149 Y N 2.437 122.738 120.300 0.002 0.000 2.491 149 Y HA 0.327 4.874 4.550 -0.005 0.000 0.334 149 Y C 0.639 176.542 175.900 0.005 0.000 0.969 149 Y CA -0.122 57.971 58.100 -0.011 0.000 1.241 149 Y CB 0.473 38.923 38.460 -0.017 0.000 1.105 149 Y HN 0.422 nan 8.280 nan 0.000 0.503 150 D N -0.536 119.940 120.400 0.126 0.000 2.812 150 D HA 0.390 5.028 4.640 -0.004 0.000 0.318 150 D C 1.025 177.367 176.300 0.069 0.000 1.234 150 D CA -0.251 53.806 54.000 0.095 0.000 0.989 150 D CB 0.198 41.054 40.800 0.093 0.000 1.442 150 D HN 0.206 nan 8.370 nan 0.000 0.537 151 E N -0.363 119.875 120.200 0.063 0.000 2.265 151 E HA -0.126 4.221 4.350 -0.004 0.000 0.196 151 E C 1.723 178.353 176.600 0.049 0.000 0.996 151 E CA 1.779 58.208 56.400 0.049 0.000 0.832 151 E CB -0.990 28.740 29.700 0.050 0.000 0.756 151 E HN 0.496 nan 8.360 nan 0.000 0.491 152 S N -0.283 115.469 115.700 0.086 0.000 2.522 152 S HA 0.003 4.470 4.470 -0.004 0.000 0.227 152 S C 1.049 175.644 174.600 -0.008 0.000 0.986 152 S CA 0.727 59.006 58.200 0.131 0.000 0.929 152 S CB -0.415 62.946 63.200 0.267 0.000 0.769 152 S HN 0.353 nan 8.310 nan 0.000 0.529 153 T N 4.869 119.336 114.554 -0.145 0.000 2.794 153 T HA 0.385 4.733 4.350 -0.004 0.000 0.296 153 T C -2.696 171.742 174.700 -0.437 0.000 0.949 153 T CA -1.119 60.645 62.100 -0.560 0.000 1.101 153 T CB 1.039 69.748 68.868 -0.266 0.000 0.905 153 T HN 0.184 nan 8.240 nan 0.000 0.516 154 P HA 0.096 nan 4.420 nan 0.000 0.264 154 P C 0.827 178.030 177.300 -0.161 0.000 1.183 154 P CA -0.109 62.818 63.100 -0.288 0.000 0.763 154 P CB 0.576 32.087 31.700 -0.315 0.000 0.807 155 R N 2.737 123.209 120.500 -0.046 0.000 2.117 155 R HA -0.158 4.180 4.340 -0.004 0.000 0.243 155 R C 2.074 178.395 176.300 0.035 0.000 1.143 155 R CA 1.262 57.374 56.100 0.021 0.000 0.968 155 R CB -0.727 29.617 30.300 0.073 0.000 0.863 155 R HN 0.510 nan 8.270 nan 0.000 0.444 156 I N 0.904 121.473 120.570 -0.001 0.000 2.361 156 I HA -0.266 3.902 4.170 -0.004 0.000 0.251 156 I C 1.752 177.828 176.117 -0.068 0.000 1.133 156 I CA 1.317 62.542 61.300 -0.125 0.000 1.413 156 I CB 0.144 37.825 38.000 -0.532 0.000 1.073 156 I HN 0.172 nan 8.210 nan 0.000 0.424 157 L N -0.181 120.989 121.223 -0.088 0.000 2.162 157 L HA -0.129 4.208 4.340 -0.004 0.000 0.205 157 L C 2.719 179.679 176.870 0.151 0.000 1.086 157 L CA 0.572 55.416 54.840 0.006 0.000 0.778 157 L CB -0.630 41.359 42.059 -0.117 0.000 0.928 157 L HN -0.062 nan 8.230 nan 0.000 0.446 158 K N 0.242 120.694 120.400 0.086 0.000 2.152 158 K HA -0.082 4.236 4.320 -0.004 0.000 0.206 158 K C 1.915 178.505 176.600 -0.017 0.000 1.048 158 K CA 1.036 57.359 56.287 0.061 0.000 0.933 158 K CB -1.022 31.489 32.500 0.019 0.000 0.721 158 K HN 0.629 nan 8.250 nan 0.000 0.447 159 G N 0.458 109.275 108.800 0.028 0.000 2.880 159 G HA2 -0.073 3.884 3.960 -0.004 0.000 0.209 159 G HA3 -0.073 3.884 3.960 -0.004 0.000 0.209 159 G C 0.820 175.733 174.900 0.022 0.000 1.157 159 G CA 0.994 46.112 45.100 0.030 0.000 0.779 159 G HN 0.559 nan 8.290 nan 0.000 0.539 160 T N -0.309 114.274 114.554 0.048 0.000 3.532 160 T HA 0.465 4.813 4.350 -0.004 0.000 0.241 160 T C -2.797 171.953 174.700 0.083 0.000 1.238 160 T CA -1.689 60.441 62.100 0.049 0.000 1.405 160 T CB 1.935 70.880 68.868 0.128 0.000 0.971 160 T HN 0.006 nan 8.240 nan 0.000 0.640 161 P HA 0.410 nan 4.420 nan 0.000 0.276 161 P C -0.050 177.271 177.300 0.035 0.000 1.244 161 P CA -0.442 62.693 63.100 0.058 0.000 0.801 161 P CB 0.730 32.366 31.700 -0.106 0.000 1.006 162 A N 2.510 125.391 122.820 0.103 0.000 3.063 162 A HA 0.198 4.515 4.320 -0.004 0.000 0.263 162 A C 0.116 177.774 177.584 0.123 0.000 1.736 162 A CA -0.160 51.962 52.037 0.141 0.000 1.408 162 A CB -1.666 17.454 19.000 0.199 0.000 1.108 162 A HN 0.469 nan 8.150 nan 0.000 0.621 163 L N 1.888 123.075 121.223 -0.061 0.000 2.282 163 L HA 0.538 4.875 4.340 -0.004 0.000 0.287 163 L C -1.173 175.523 176.870 -0.289 0.000 1.075 163 L CA -0.109 54.682 54.840 -0.082 0.000 0.839 163 L CB -0.366 41.652 42.059 -0.069 0.000 1.219 163 L HN 0.469 nan 8.230 nan 0.000 0.434 164 Y N 3.158 123.354 120.300 -0.175 0.000 2.468 164 Y HA 0.711 5.259 4.550 -0.004 0.000 0.342 164 Y C -0.329 175.350 175.900 -0.368 0.000 1.021 164 Y CA -0.533 57.382 58.100 -0.309 0.000 1.079 164 Y CB 2.266 40.520 38.460 -0.343 0.000 1.226 164 Y HN 0.322 nan 8.280 nan 0.000 0.460 165 V N 2.808 122.511 119.914 -0.352 0.000 2.808 165 V HA 0.435 4.553 4.120 -0.004 0.000 0.308 165 V C -1.461 174.469 176.094 -0.273 0.000 1.099 165 V CA -0.607 61.457 62.300 -0.393 0.000 0.920 165 V CB 2.044 33.452 31.823 -0.692 0.000 1.014 165 V HN 0.865 nan 8.190 nan 0.000 0.425 166 E N 5.286 125.432 120.200 -0.091 0.000 2.114 166 E HA 0.422 4.770 4.350 -0.004 0.000 0.266 166 E C 0.018 176.613 176.600 -0.009 0.000 0.896 166 E CA -0.254 56.192 56.400 0.077 0.000 0.750 166 E CB 0.818 30.688 29.700 0.284 0.000 1.121 166 E HN 0.852 nan 8.360 nan 0.000 0.413 167 D N 3.443 123.823 120.400 -0.033 0.000 4.259 167 D HA -0.309 4.328 4.640 -0.004 0.000 0.150 167 D C 0.430 176.564 176.300 -0.277 0.000 0.731 167 D CA 1.903 55.849 54.000 -0.090 0.000 1.138 167 D CB -0.280 40.493 40.800 -0.045 0.000 0.540 167 D HN 0.707 nan 8.370 nan 0.000 0.507 168 E N 0.772 120.778 120.200 -0.324 0.000 2.498 168 E HA 0.233 4.581 4.350 -0.004 0.000 0.203 168 E C 0.793 177.361 176.600 -0.053 0.000 1.013 168 E CA 0.423 56.658 56.400 -0.275 0.000 0.927 168 E CB 0.548 30.041 29.700 -0.344 0.000 1.012 168 E HN 0.377 nan 8.360 nan 0.000 0.482 169 R N 1.302 121.772 120.500 -0.050 0.000 2.235 169 R HA 0.187 4.525 4.340 -0.004 0.000 0.338 169 R C -0.945 175.379 176.300 0.039 0.000 1.087 169 R CA -0.371 55.750 56.100 0.035 0.000 0.948 169 R CB -1.204 29.116 30.300 0.033 0.000 1.099 169 R HN 0.031 nan 8.270 nan 0.000 0.483 170 Y N 2.427 122.705 120.300 -0.038 0.000 2.713 170 Y HA 0.110 4.657 4.550 -0.004 0.000 0.341 170 Y C 0.711 176.609 175.900 -0.004 0.000 1.167 170 Y CA -0.128 57.956 58.100 -0.027 0.000 1.503 170 Y CB 0.235 38.676 38.460 -0.032 0.000 1.199 170 Y HN 0.536 nan 8.280 nan 0.000 0.525 171 L N 2.968 124.245 121.223 0.090 0.000 2.461 171 L HA 0.149 4.487 4.340 -0.004 0.000 0.272 171 L C 1.271 178.190 176.870 0.081 0.000 1.197 171 L CA 1.304 56.192 54.840 0.080 0.000 0.836 171 L CB 0.403 42.500 42.059 0.064 0.000 1.105 171 L HN 0.856 nan 8.230 nan 0.000 0.477 172 D N 0.832 121.269 120.400 0.062 0.000 2.262 172 D HA 0.418 5.056 4.640 -0.004 0.000 0.212 172 D C 0.761 177.082 176.300 0.034 0.000 0.964 172 D CA 1.221 55.251 54.000 0.049 0.000 0.875 172 D CB 0.004 40.830 40.800 0.043 0.000 0.996 172 D HN 0.830 nan 8.370 nan 0.000 0.497 173 T N -0.964 113.603 114.554 0.022 0.000 2.883 173 T HA 0.667 5.015 4.350 -0.004 0.000 0.296 173 T C -0.730 173.946 174.700 -0.040 0.000 1.117 173 T CA -0.530 61.570 62.100 0.000 0.000 1.006 173 T CB 1.369 70.247 68.868 0.016 0.000 1.191 173 T HN 0.228 nan 8.240 nan 0.000 0.508 174 L N 2.634 123.801 121.223 -0.094 0.000 2.334 174 L HA 0.543 4.881 4.340 -0.004 0.000 0.276 174 L C -1.706 175.147 176.870 -0.028 0.000 1.014 174 L CA -1.930 52.804 54.840 -0.176 0.000 0.815 174 L CB 1.578 43.319 42.059 -0.531 0.000 1.268 174 L HN 0.568 nan 8.230 nan 0.000 0.428 175 P HA 0.100 nan 4.420 nan 0.000 0.267 175 P C -0.176 177.196 177.300 0.121 0.000 1.200 175 P CA -0.148 63.000 63.100 0.080 0.000 0.772 175 P CB 0.293 32.042 31.700 0.082 0.000 0.855 176 E N 0.640 120.893 120.200 0.089 0.000 2.467 176 E HA 0.310 4.658 4.350 -0.004 0.000 0.264 176 E C 1.395 178.068 176.600 0.121 0.000 1.020 176 E CA 0.297 56.756 56.400 0.098 0.000 0.945 176 E CB -0.895 28.842 29.700 0.062 0.000 0.942 176 E HN 0.948 nan 8.360 nan 0.000 0.449 177 G N 0.543 109.431 108.800 0.148 0.000 2.184 177 G HA2 -0.236 3.721 3.960 -0.004 0.000 0.264 177 G HA3 -0.236 3.721 3.960 -0.004 0.000 0.264 177 G C 0.293 175.313 174.900 0.199 0.000 0.975 177 G CA 0.247 45.437 45.100 0.149 0.000 0.642 177 G HN 1.387 nan 8.290 nan 0.000 0.536 178 F N 1.160 121.166 119.950 0.093 0.000 2.612 178 F HA 0.453 4.977 4.527 -0.004 0.000 0.389 178 F C 0.230 176.105 175.800 0.125 0.000 1.055 178 F CA 0.027 58.054 58.000 0.044 0.000 1.232 178 F CB 0.151 39.144 39.000 -0.011 0.000 1.044 178 F HN 0.242 nan 8.300 nan 0.000 0.560 179 Y N 5.993 125.870 120.300 -0.706 0.000 2.386 179 Y HA 0.246 4.793 4.550 -0.004 0.000 0.334 179 Y C 0.803 176.117 175.900 -0.978 0.000 1.002 179 Y CA -0.622 57.028 58.100 -0.750 0.000 1.068 179 Y CB 1.419 39.581 38.460 -0.495 0.000 1.203 179 Y HN 0.665 nan 8.280 nan 0.000 0.443 180 S N 1.862 116.763 115.700 -1.330 0.000 2.369 180 S HA -0.245 4.223 4.470 -0.004 0.000 0.225 180 S C 1.746 175.703 174.600 -1.071 0.000 1.043 180 S CA 2.225 59.746 58.200 -1.131 0.000 1.074 180 S CB -0.835 62.170 63.200 -0.326 0.000 0.962 180 S HN 0.673 nan 8.310 nan 0.000 0.433 181 S N 2.231 117.521 115.700 -0.683 0.000 2.382 181 S HA -0.094 4.373 4.470 -0.004 0.000 0.228 181 S C 1.601 176.221 174.600 0.034 0.000 1.027 181 S CA 1.399 59.600 58.200 0.003 0.000 0.991 181 S CB -0.705 62.534 63.200 0.065 0.000 0.823 181 S HN 0.589 nan 8.310 nan 0.000 0.469 182 D N 1.685 122.032 120.400 -0.088 0.000 2.149 182 D HA 0.078 4.716 4.640 -0.004 0.000 0.201 182 D C 2.130 178.311 176.300 -0.198 0.000 0.972 182 D CA 1.124 55.135 54.000 0.018 0.000 0.835 182 D CB -0.494 40.361 40.800 0.092 0.000 0.966 182 D HN 0.382 nan 8.370 nan 0.000 0.476 183 A N 0.274 122.785 122.820 -0.514 0.000 1.930 183 A HA -0.135 4.183 4.320 -0.004 0.000 0.217 183 A C 1.855 179.211 177.584 -0.380 0.000 1.175 183 A CA 0.933 52.624 52.037 -0.576 0.000 0.627 183 A CB -0.770 17.689 19.000 -0.903 0.000 0.815 183 A HN 0.109 nan 8.150 nan 0.000 0.443 184 F N 0.300 120.154 119.950 -0.160 0.000 2.163 184 F HA 0.065 4.589 4.527 -0.004 0.000 0.297 184 F C 2.655 178.319 175.800 -0.227 0.000 1.094 184 F CA 0.404 58.304 58.000 -0.166 0.000 1.290 184 F CB -1.384 37.471 39.000 -0.241 0.000 1.017 184 F HN 0.242 nan 8.300 nan 0.000 0.483 185 G N -0.045 108.770 108.800 0.025 0.000 2.440 185 G HA2 -0.239 3.718 3.960 -0.004 0.000 0.218 185 G HA3 -0.239 3.718 3.960 -0.004 0.000 0.218 185 G C 1.390 176.197 174.900 -0.155 0.000 1.154 185 G CA 1.164 46.239 45.100 -0.041 0.000 0.767 185 G HN 0.222 nan 8.290 nan 0.000 0.552 186 D N 0.557 120.845 120.400 -0.186 0.000 2.104 186 D HA -0.068 4.570 4.640 -0.004 0.000 0.194 186 D C 2.500 178.591 176.300 -0.347 0.000 0.994 186 D CA 0.830 54.682 54.000 -0.247 0.000 0.830 186 D CB -0.058 40.593 40.800 -0.248 0.000 0.959 186 D HN 0.145 nan 8.370 nan 0.000 0.452 187 K N 0.141 120.288 120.400 -0.422 0.000 2.062 187 K HA -0.054 4.264 4.320 -0.004 0.000 0.205 187 K C 2.118 178.240 176.600 -0.796 0.000 1.051 187 K CA 0.163 56.044 56.287 -0.677 0.000 0.941 187 K CB -0.526 31.577 32.500 -0.661 0.000 0.719 187 K HN 0.136 nan 8.250 nan 0.000 0.440 188 L N 1.351 122.318 121.223 -0.427 0.000 2.093 188 L HA -0.111 4.226 4.340 -0.004 0.000 0.208 188 L C 2.155 178.867 176.870 -0.264 0.000 1.085 188 L CA 1.167 55.842 54.840 -0.274 0.000 0.755 188 L CB -0.597 41.374 42.059 -0.146 0.000 0.904 188 L HN 0.020 nan 8.230 nan 0.000 0.435 189 L N -0.365 120.684 121.223 -0.290 0.000 2.012 189 L HA -0.259 4.079 4.340 -0.004 0.000 0.210 189 L C 2.598 179.253 176.870 -0.359 0.000 1.073 189 L CA 2.147 56.788 54.840 -0.332 0.000 0.748 189 L CB -0.894 40.972 42.059 -0.322 0.000 0.891 189 L HN 0.563 nan 8.230 nan 0.000 0.431 190 Q N -1.797 117.797 119.800 -0.343 0.000 2.061 190 Q HA -0.264 4.074 4.340 -0.004 0.000 0.204 190 Q C 2.214 178.162 176.000 -0.088 0.000 0.984 190 Q CA 2.129 57.781 55.803 -0.251 0.000 0.846 190 Q CB -0.292 28.273 28.738 -0.288 0.000 0.902 190 Q HN 0.553 nan 8.270 nan 0.000 0.421 191 Y N 0.557 120.787 120.300 -0.117 0.000 2.224 191 Y HA -0.182 4.366 4.550 -0.004 0.000 0.289 191 Y C 2.169 178.006 175.900 -0.106 0.000 1.146 191 Y CA 0.760 58.814 58.100 -0.076 0.000 1.182 191 Y CB -0.693 37.744 38.460 -0.039 0.000 0.983 191 Y HN 0.144 nan 8.280 nan 0.000 0.524 192 L N -0.261 120.942 121.223 -0.033 0.000 2.056 192 L HA -0.214 4.124 4.340 -0.004 0.000 0.207 192 L C 2.270 179.112 176.870 -0.047 0.000 1.078 192 L CA 1.466 56.238 54.840 -0.114 0.000 0.749 192 L CB -0.472 41.484 42.059 -0.173 0.000 0.901 192 L HN 0.090 nan 8.230 nan 0.000 0.433 193 K N -0.101 120.191 120.400 -0.180 0.000 2.211 193 K HA -0.122 4.196 4.320 -0.004 0.000 0.203 193 K C 1.624 178.223 176.600 -0.001 0.000 1.050 193 K CA 0.946 57.156 56.287 -0.128 0.000 0.945 193 K CB 0.065 32.405 32.500 -0.267 0.000 0.732 193 K HN 0.357 nan 8.250 nan 0.000 0.451 194 E N 0.955 121.162 120.200 0.011 0.000 2.479 194 E HA -0.034 4.314 4.350 -0.004 0.000 0.193 194 E C 0.130 176.763 176.600 0.055 0.000 1.049 194 E CA -0.216 56.210 56.400 0.043 0.000 0.870 194 E CB 0.249 29.988 29.700 0.065 0.000 0.944 194 E HN 0.273 nan 8.360 nan 0.000 0.492 195 R N 1.694 122.231 120.500 0.061 0.000 2.827 195 R HA 0.029 4.367 4.340 -0.004 0.000 0.269 195 R C -0.005 176.340 176.300 0.074 0.000 1.048 195 R CA -0.300 55.844 56.100 0.074 0.000 1.173 195 R CB 0.305 30.654 30.300 0.082 0.000 1.070 195 R HN -0.259 nan 8.270 nan 0.000 0.498 196 D N 1.284 121.729 120.400 0.075 0.000 2.344 196 D HA -0.007 4.631 4.640 -0.004 0.000 0.253 196 D C 0.308 176.652 176.300 0.074 0.000 1.255 196 D CA 0.164 54.201 54.000 0.063 0.000 0.894 196 D CB 1.035 41.865 40.800 0.050 0.000 1.067 196 D HN 0.557 nan 8.370 nan 0.000 0.492 197 Q N 1.745 121.585 119.800 0.067 0.000 2.488 197 Q HA -0.071 4.266 4.340 -0.004 0.000 0.211 197 Q C 1.409 177.438 176.000 0.048 0.000 0.967 197 Q CA 0.676 56.523 55.803 0.073 0.000 0.926 197 Q CB 0.143 28.918 28.738 0.062 0.000 0.992 197 Q HN 0.544 nan 8.270 nan 0.000 0.506 198 S N -0.578 115.140 115.700 0.029 0.000 2.575 198 S HA 0.151 4.619 4.470 -0.004 0.000 0.215 198 S C 0.533 175.124 174.600 -0.016 0.000 0.966 198 S CA -0.368 57.836 58.200 0.006 0.000 0.911 198 S CB 0.394 63.597 63.200 0.004 0.000 0.780 198 S HN 0.109 nan 8.310 nan 0.000 0.514 199 R N 1.422 121.914 120.500 -0.013 0.000 2.807 199 R HA 0.553 4.890 4.340 -0.004 0.000 0.276 199 R C -3.026 173.216 176.300 -0.096 0.000 0.979 199 R CA -2.378 53.680 56.100 -0.069 0.000 0.928 199 R CB 1.475 31.749 30.300 -0.044 0.000 1.191 199 R HN 0.178 nan 8.270 nan 0.000 0.471 200 P HA 0.147 nan 4.420 nan 0.000 0.274 200 P C -1.056 176.124 177.300 -0.201 0.000 1.246 200 P CA -0.108 62.735 63.100 -0.428 0.000 0.795 200 P CB 0.412 31.575 31.700 -0.894 0.000 1.006 201 F N -1.200 118.760 119.950 0.017 0.000 2.593 201 F HA 0.719 5.244 4.527 -0.004 0.000 0.320 201 F C -1.278 174.828 175.800 0.509 0.000 1.060 201 F CA -1.709 56.441 58.000 0.250 0.000 0.940 201 F CB 1.204 40.314 39.000 0.183 0.000 1.268 201 F HN 0.126 nan 8.300 nan 0.000 0.475 202 F N 2.397 122.731 119.950 0.641 0.000 2.382 202 F HA 0.805 5.329 4.527 -0.004 0.000 0.361 202 F C -0.910 175.241 175.800 0.585 0.000 1.109 202 F CA -1.055 57.281 58.000 0.559 0.000 1.031 202 F CB 0.652 39.858 39.000 0.343 0.000 1.234 202 F HN 0.873 nan 8.300 nan 0.000 0.445 203 A N 5.799 128.684 122.820 0.108 0.000 2.288 203 A HA 0.562 4.879 4.320 -0.004 0.000 0.320 203 A C -2.175 175.343 177.584 -0.110 0.000 1.217 203 A CA -0.485 51.614 52.037 0.103 0.000 0.840 203 A CB 0.401 19.533 19.000 0.221 0.000 1.179 203 A HN 0.722 nan 8.150 nan 0.000 0.504 204 Y N 3.015 123.207 120.300 -0.180 0.000 2.331 204 Y HA 0.575 5.122 4.550 -0.004 0.000 0.334 204 Y C -1.193 174.622 175.900 -0.143 0.000 0.960 204 Y CA -1.615 56.393 58.100 -0.154 0.000 1.130 204 Y CB 1.806 40.272 38.460 0.011 0.000 1.164 204 Y HN 0.497 nan 8.280 nan 0.000 0.458 205 L N 10.323 131.326 121.223 -0.367 0.000 2.581 205 L HA 0.557 4.895 4.340 -0.004 0.000 0.241 205 L C -2.797 173.682 176.870 -0.651 0.000 1.265 205 L CA -2.237 52.295 54.840 -0.512 0.000 0.954 205 L CB 0.903 42.781 42.059 -0.302 0.000 1.269 205 L HN 0.373 nan 8.230 nan 0.000 0.475 206 P HA 0.186 nan 4.420 nan 0.000 0.283 206 P C -0.458 176.518 177.300 -0.540 0.000 1.412 206 P CA -0.109 62.614 63.100 -0.630 0.000 0.912 206 P CB 0.108 31.360 31.700 -0.746 0.000 1.132 207 F N 1.431 121.270 119.950 -0.186 0.000 2.444 207 F HA 0.049 4.573 4.527 -0.004 0.000 0.331 207 F C 2.203 177.985 175.800 -0.030 0.000 1.167 207 F CA 0.610 58.584 58.000 -0.043 0.000 1.262 207 F CB 0.461 39.500 39.000 0.066 0.000 1.196 207 F HN 0.291 nan 8.300 nan 0.000 0.583 208 S N 0.133 116.040 115.700 0.345 0.000 2.503 208 S HA 0.389 4.856 4.470 -0.004 0.000 0.215 208 S C 0.697 175.445 174.600 0.246 0.000 1.003 208 S CA 0.012 58.335 58.200 0.205 0.000 0.910 208 S CB -0.304 63.024 63.200 0.213 0.000 0.790 208 S HN 0.645 nan 8.310 nan 0.000 0.514 209 A N 3.227 126.174 122.820 0.211 0.000 2.386 209 A HA 0.529 4.846 4.320 -0.004 0.000 0.248 209 A C -2.088 175.484 177.584 -0.020 0.000 1.082 209 A CA -1.545 50.487 52.037 -0.009 0.000 0.789 209 A CB 0.050 18.943 19.000 -0.179 0.000 1.025 209 A HN 0.323 nan 8.150 nan 0.000 0.490 210 P HA 0.079 nan 4.420 nan 0.000 0.218 210 P C -0.329 176.948 177.300 -0.039 0.000 1.826 210 P CA -0.023 62.938 63.100 -0.231 0.000 0.946 210 P CB -0.327 30.982 31.700 -0.653 0.000 1.728 211 H N 1.930 120.964 119.070 -0.060 0.000 2.615 211 H HA 0.030 4.584 4.556 -0.003 0.000 0.363 211 H C 0.409 175.734 175.328 -0.005 0.000 1.148 211 H CA -0.133 55.829 56.048 -0.143 0.000 1.401 211 H CB 0.611 30.202 29.762 -0.285 0.000 1.461 211 H HN 0.258 nan 8.280 nan 0.000 0.588 212 W N 3.498 124.868 121.300 0.117 0.000 2.123 212 W HA 0.203 4.862 4.660 -0.002 0.000 0.351 212 W C -2.588 174.061 176.519 0.216 0.000 1.292 212 W CA -1.956 55.482 57.345 0.155 0.000 1.263 212 W CB -0.788 28.737 29.460 0.108 0.000 1.165 212 W HN 0.419 nan 8.180 nan 0.000 0.590 213 P HA 0.161 nan 4.420 nan 0.000 0.275 213 P C -0.328 177.115 177.300 0.239 0.000 1.227 213 P CA -0.061 63.027 63.100 -0.020 0.000 0.781 213 P CB 1.121 32.345 31.700 -0.793 0.000 0.906 214 L N 3.606 124.940 121.223 0.185 0.000 2.325 214 L HA 0.271 4.609 4.340 -0.004 0.000 0.284 214 L C 0.824 177.772 176.870 0.130 0.000 1.089 214 L CA 0.297 55.216 54.840 0.131 0.000 0.836 214 L CB -0.370 41.741 42.059 0.088 0.000 1.184 214 L HN 0.347 nan 8.230 nan 0.000 0.444 215 Q N 3.055 122.933 119.800 0.130 0.000 2.309 215 Q HA 0.849 5.186 4.340 -0.004 0.000 0.273 215 Q C -1.271 174.844 176.000 0.191 0.000 1.040 215 Q CA -0.698 55.252 55.803 0.244 0.000 0.834 215 Q CB 3.058 32.089 28.738 0.488 0.000 1.345 215 Q HN 0.748 nan 8.270 nan 0.000 0.414 216 A N 2.046 124.948 122.820 0.137 0.000 2.608 216 A HA 0.768 5.085 4.320 -0.004 0.000 0.292 216 A C -2.914 174.575 177.584 -0.158 0.000 1.066 216 A CA -1.351 50.610 52.037 -0.126 0.000 0.676 216 A CB 1.092 20.032 19.000 -0.101 0.000 1.277 216 A HN 0.403 nan 8.150 nan 0.000 0.413 217 P HA 0.107 nan 4.420 nan 0.000 0.264 217 P C 0.670 177.888 177.300 -0.137 0.000 1.193 217 P CA -0.181 62.786 63.100 -0.223 0.000 0.763 217 P CB 0.492 32.009 31.700 -0.304 0.000 0.810 218 R N 2.979 123.418 120.500 -0.102 0.000 2.127 218 R HA -0.179 4.159 4.340 -0.004 0.000 0.238 218 R C 1.815 178.077 176.300 -0.065 0.000 1.134 218 R CA 2.087 58.146 56.100 -0.068 0.000 0.975 218 R CB -2.157 28.104 30.300 -0.066 0.000 0.865 218 R HN 0.516 nan 8.270 nan 0.000 0.447 219 E N 2.164 122.308 120.200 -0.093 0.000 2.153 219 E HA -0.059 4.289 4.350 -0.004 0.000 0.194 219 E C 2.080 178.631 176.600 -0.083 0.000 0.988 219 E CA 1.487 57.831 56.400 -0.092 0.000 0.811 219 E CB -0.324 29.304 29.700 -0.120 0.000 0.746 219 E HN 0.279 nan 8.360 nan 0.000 0.466 220 I N 0.583 121.100 120.570 -0.088 0.000 2.480 220 I HA -0.082 4.085 4.170 -0.004 0.000 0.251 220 I C 2.625 178.794 176.117 0.088 0.000 1.124 220 I CA 0.645 61.926 61.300 -0.030 0.000 1.444 220 I CB -0.837 37.120 38.000 -0.072 0.000 1.098 220 I HN 0.204 nan 8.210 nan 0.000 0.428 221 V N 1.214 121.158 119.914 0.050 0.000 2.407 221 V HA -0.246 3.871 4.120 -0.004 0.000 0.248 221 V C 2.580 178.755 176.094 0.135 0.000 1.055 221 V CA 1.822 64.191 62.300 0.114 0.000 1.049 221 V CB -0.773 31.077 31.823 0.045 0.000 0.662 221 V HN 0.327 nan 8.190 nan 0.000 0.455 222 E N 0.864 121.092 120.200 0.047 0.000 2.209 222 E HA -0.218 4.129 4.350 -0.004 0.000 0.196 222 E C 2.060 178.649 176.600 -0.017 0.000 0.993 222 E CA 1.334 57.742 56.400 0.013 0.000 0.819 222 E CB -0.288 29.399 29.700 -0.022 0.000 0.745 222 E HN 0.578 nan 8.360 nan 0.000 0.477 223 K N -0.998 119.369 120.400 -0.055 0.000 2.280 223 K HA -0.143 4.174 4.320 -0.004 0.000 0.202 223 K C 0.841 177.191 176.600 -0.418 0.000 1.047 223 K CA 1.095 57.232 56.287 -0.250 0.000 0.942 223 K CB -0.084 32.200 32.500 -0.359 0.000 0.739 223 K HN 0.301 nan 8.250 nan 0.000 0.457 224 Y N 0.392 120.686 120.300 -0.010 0.000 2.507 224 Y HA 0.146 4.693 4.550 -0.004 0.000 0.254 224 Y C 0.356 176.254 175.900 -0.003 0.000 1.171 224 Y CA -0.640 57.459 58.100 -0.002 0.000 1.238 224 Y CB 0.272 38.794 38.460 0.102 0.000 1.148 224 Y HN -0.128 nan 8.280 nan 0.000 0.525 225 R N 0.894 121.439 120.500 0.076 0.000 2.473 225 R HA 0.170 4.507 4.340 -0.004 0.000 0.315 225 R C 1.200 177.524 176.300 0.039 0.000 0.972 225 R CA 1.363 57.502 56.100 0.065 0.000 1.047 225 R CB -0.347 29.971 30.300 0.030 0.000 0.932 225 R HN 0.632 nan 8.270 nan 0.000 0.411 226 G N 3.852 112.696 108.800 0.074 0.000 2.199 226 G HA2 -0.354 3.603 3.960 -0.004 0.000 0.254 226 G HA3 -0.354 3.603 3.960 -0.004 0.000 0.254 226 G C 0.844 175.750 174.900 0.010 0.000 0.982 226 G CA 0.462 45.599 45.100 0.061 0.000 0.632 226 G HN 0.640 nan 8.290 nan 0.000 0.529 227 R N 0.035 120.483 120.500 -0.086 0.000 2.189 227 R HA 0.102 4.439 4.340 -0.004 0.000 0.223 227 R C 1.444 177.478 176.300 -0.443 0.000 1.092 227 R CA 1.668 57.571 56.100 -0.328 0.000 0.989 227 R CB -0.406 29.588 30.300 -0.508 0.000 0.876 227 R HN 0.552 nan 8.270 nan 0.000 0.457 228 Y N -0.625 119.748 120.300 0.121 0.000 2.660 228 Y HA 0.265 4.813 4.550 -0.004 0.000 0.254 228 Y C 0.700 176.756 175.900 0.260 0.000 1.176 228 Y CA -0.623 57.567 58.100 0.150 0.000 1.195 228 Y CB 0.481 38.919 38.460 -0.036 0.000 1.190 228 Y HN 0.025 nan 8.280 nan 0.000 0.535 229 D N 0.640 121.230 120.400 0.316 0.000 2.218 229 D HA -0.118 4.519 4.640 -0.004 0.000 0.204 229 D C 2.080 178.649 176.300 0.448 0.000 0.976 229 D CA 1.190 55.431 54.000 0.402 0.000 0.853 229 D CB 0.051 41.002 40.800 0.251 0.000 0.939 229 D HN 0.352 nan 8.370 nan 0.000 0.481 230 A N -0.094 122.865 122.820 0.231 0.000 2.206 230 A HA 0.444 4.762 4.320 -0.004 0.000 0.211 230 A C 1.253 178.673 177.584 -0.273 0.000 1.158 230 A CA 1.083 53.194 52.037 0.124 0.000 0.761 230 A CB -0.279 18.755 19.000 0.056 0.000 0.801 230 A HN 0.316 nan 8.150 nan 0.000 0.473 231 G N -1.324 107.082 108.800 -0.656 0.000 2.712 231 G HA2 -0.085 3.872 3.960 -0.004 0.000 0.683 231 G HA3 -0.085 3.872 3.960 -0.004 0.000 0.683 231 G C -1.725 172.409 174.900 -1.275 0.000 1.320 231 G CA -0.219 43.715 45.100 -1.944 0.000 0.847 231 G HN 0.070 nan 8.290 nan 0.000 0.553 232 P HA 0.040 nan 4.420 nan 0.000 0.225 232 P C 1.197 178.124 177.300 -0.621 0.000 1.156 232 P CA 1.540 63.785 63.100 -1.425 0.000 0.787 232 P CB 0.319 30.979 31.700 -1.734 0.000 0.802 233 E N 1.017 120.918 120.200 -0.497 0.000 2.076 233 E HA -0.023 4.324 4.350 -0.004 0.000 0.190 233 E C 2.090 178.584 176.600 -0.177 0.000 0.979 233 E CA 1.200 57.446 56.400 -0.257 0.000 0.807 233 E CB -1.141 28.450 29.700 -0.181 0.000 0.761 233 E HN 0.030 nan 8.360 nan 0.000 0.454 234 A N 0.740 123.443 122.820 -0.196 0.000 1.908 234 A HA -0.156 4.161 4.320 -0.004 0.000 0.218 234 A C 2.200 179.755 177.584 -0.048 0.000 1.181 234 A CA 1.596 53.574 52.037 -0.098 0.000 0.627 234 A CB -0.846 18.105 19.000 -0.081 0.000 0.818 234 A HN 0.384 nan 8.150 nan 0.000 0.445 235 L N -0.235 120.956 121.223 -0.053 0.000 2.017 235 L HA -0.132 4.206 4.340 -0.004 0.000 0.208 235 L C 2.494 179.388 176.870 0.039 0.000 1.073 235 L CA 2.398 57.278 54.840 0.066 0.000 0.745 235 L CB -0.608 41.582 42.059 0.217 0.000 0.894 235 L HN 0.482 nan 8.230 nan 0.000 0.432 236 R N -1.190 119.297 120.500 -0.023 0.000 2.103 236 R HA -0.215 4.123 4.340 -0.004 0.000 0.242 236 R C 2.221 178.530 176.300 0.015 0.000 1.142 236 R CA 1.725 57.822 56.100 -0.004 0.000 0.960 236 R CB -0.135 30.139 30.300 -0.043 0.000 0.858 236 R HN 0.472 nan 8.270 nan 0.000 0.439 237 Q N 0.397 120.196 119.800 -0.002 0.000 2.119 237 Q HA -0.161 4.177 4.340 -0.004 0.000 0.201 237 Q C 1.884 177.901 176.000 0.028 0.000 0.972 237 Q CA 1.560 57.369 55.803 0.010 0.000 0.847 237 Q CB -0.077 28.659 28.738 -0.003 0.000 0.903 237 Q HN 0.557 nan 8.270 nan 0.000 0.433 238 E N 0.147 120.368 120.200 0.035 0.000 2.051 238 E HA -0.147 4.201 4.350 -0.004 0.000 0.192 238 E C 2.102 178.740 176.600 0.063 0.000 0.991 238 E CA 0.549 56.978 56.400 0.049 0.000 0.799 238 E CB 0.037 29.773 29.700 0.060 0.000 0.748 238 E HN 0.171 nan 8.360 nan 0.000 0.449 239 R N 0.647 121.194 120.500 0.078 0.000 2.073 239 R HA -0.108 4.230 4.340 -0.004 0.000 0.234 239 R C 2.510 178.867 176.300 0.095 0.000 1.134 239 R CA 0.912 57.070 56.100 0.096 0.000 0.952 239 R CB -0.883 29.486 30.300 0.114 0.000 0.850 239 R HN 0.256 nan 8.270 nan 0.000 0.433 240 L N 0.353 121.625 121.223 0.082 0.000 2.046 240 L HA -0.150 4.188 4.340 -0.004 0.000 0.208 240 L C 2.685 179.597 176.870 0.069 0.000 1.077 240 L CA 1.390 56.279 54.840 0.081 0.000 0.747 240 L CB -0.639 41.456 42.059 0.060 0.000 0.896 240 L HN 0.175 nan 8.230 nan 0.000 0.432 241 A N -0.021 122.831 122.820 0.054 0.000 1.902 241 A HA -0.253 4.065 4.320 -0.004 0.000 0.217 241 A C 2.343 179.956 177.584 0.048 0.000 1.181 241 A CA 1.868 53.932 52.037 0.045 0.000 0.623 241 A CB -0.460 18.561 19.000 0.035 0.000 0.818 241 A HN 0.273 nan 8.150 nan 0.000 0.443 242 R N -0.112 120.420 120.500 0.053 0.000 2.075 242 R HA 0.055 4.393 4.340 -0.004 0.000 0.232 242 R C 1.908 178.240 176.300 0.053 0.000 1.126 242 R CA 1.342 57.471 56.100 0.048 0.000 0.963 242 R CB -0.812 29.518 30.300 0.050 0.000 0.858 242 R HN 0.513 nan 8.270 nan 0.000 0.435 243 L N 0.279 121.549 121.223 0.078 0.000 2.042 243 L HA -0.237 4.100 4.340 -0.004 0.000 0.210 243 L C 2.279 179.204 176.870 0.093 0.000 1.076 243 L CA 1.870 56.771 54.840 0.102 0.000 0.749 243 L CB -0.353 41.807 42.059 0.167 0.000 0.893 243 L HN 0.202 nan 8.230 nan 0.000 0.432 244 K N -0.420 120.028 120.400 0.080 0.000 2.062 244 K HA -0.204 4.114 4.320 -0.004 0.000 0.205 244 K C 2.032 178.662 176.600 0.050 0.000 1.051 244 K CA 1.221 57.548 56.287 0.066 0.000 0.941 244 K CB -0.128 32.405 32.500 0.054 0.000 0.719 244 K HN 0.267 nan 8.250 nan 0.000 0.440 245 E N 1.207 121.431 120.200 0.040 0.000 2.118 245 E HA -0.188 4.160 4.350 -0.004 0.000 0.195 245 E C 1.623 178.237 176.600 0.023 0.000 0.992 245 E CA 0.995 57.411 56.400 0.028 0.000 0.804 245 E CB 0.057 29.771 29.700 0.023 0.000 0.741 245 E HN 0.237 nan 8.360 nan 0.000 0.458 246 L N -0.710 120.526 121.223 0.021 0.000 2.591 246 L HA 0.151 4.488 4.340 -0.004 0.000 0.228 246 L C 1.377 178.256 176.870 0.015 0.000 1.133 246 L CA 0.417 55.258 54.840 0.002 0.000 0.880 246 L CB 0.146 42.191 42.059 -0.024 0.000 1.033 246 L HN 0.447 nan 8.230 nan 0.000 0.450 247 G N 0.140 108.970 108.800 0.050 0.000 2.147 247 G HA2 -0.290 3.668 3.960 -0.004 0.000 0.244 247 G HA3 -0.290 3.668 3.960 -0.004 0.000 0.244 247 G C 0.709 175.700 174.900 0.152 0.000 1.005 247 G CA 0.332 45.484 45.100 0.088 0.000 0.713 247 G HN 0.337 nan 8.290 nan 0.000 0.515 248 L N -0.614 120.696 121.223 0.145 0.000 2.270 248 L HA 0.331 4.668 4.340 -0.004 0.000 0.210 248 L C 1.459 178.520 176.870 0.318 0.000 1.104 248 L CA 1.236 56.215 54.840 0.231 0.000 0.804 248 L CB 0.164 42.322 42.059 0.165 0.000 0.937 248 L HN 0.525 nan 8.230 nan 0.000 0.450 249 V N -4.771 115.272 119.914 0.216 0.000 2.876 249 V HA 0.756 4.873 4.120 -0.004 0.000 0.312 249 V C -0.211 175.933 176.094 0.083 0.000 1.085 249 V CA -0.835 61.554 62.300 0.149 0.000 0.945 249 V CB 1.161 33.074 31.823 0.150 0.000 1.017 249 V HN 0.017 nan 8.190 nan 0.000 0.428 250 E N 1.799 122.016 120.200 0.027 0.000 2.373 250 E HA 0.672 5.020 4.350 -0.004 0.000 0.263 250 E C 1.300 177.914 176.600 0.024 0.000 1.073 250 E CA -0.073 56.335 56.400 0.012 0.000 0.894 250 E CB 1.315 31.000 29.700 -0.025 0.000 1.008 250 E HN 1.990 nan 8.360 nan 0.000 0.420 251 A N 1.056 123.889 122.820 0.023 0.000 1.972 251 A HA -0.093 4.225 4.320 -0.004 0.000 0.219 251 A C 1.498 179.094 177.584 0.019 0.000 1.169 251 A CA 1.913 53.965 52.037 0.024 0.000 0.635 251 A CB -0.199 18.814 19.000 0.021 0.000 0.810 251 A HN 0.771 nan 8.150 nan 0.000 0.446 252 D N -0.606 119.802 120.400 0.012 0.000 2.325 252 D HA 0.138 4.775 4.640 -0.004 0.000 0.225 252 D C 0.037 176.345 176.300 0.013 0.000 1.096 252 D CA -0.188 53.819 54.000 0.010 0.000 0.844 252 D CB -0.676 40.126 40.800 0.004 0.000 0.925 252 D HN 0.105 nan 8.370 nan 0.000 0.513 253 V N 1.042 120.966 119.914 0.016 0.000 2.637 253 V HA 0.033 4.151 4.120 -0.004 0.000 0.296 253 V C 0.654 176.762 176.094 0.023 0.000 1.046 253 V CA -0.452 61.859 62.300 0.018 0.000 1.066 253 V CB 1.020 32.855 31.823 0.019 0.000 0.968 253 V HN 0.205 nan 8.190 nan 0.000 0.483 254 E N 3.972 124.188 120.200 0.027 0.000 2.105 254 E HA 0.500 4.848 4.350 -0.004 0.000 0.285 254 E C -0.005 176.598 176.600 0.005 0.000 1.055 254 E CA -0.605 55.809 56.400 0.023 0.000 0.843 254 E CB 0.929 30.661 29.700 0.053 0.000 1.067 254 E HN 0.845 nan 8.360 nan 0.000 0.398 255 A N 5.130 127.950 122.820 0.000 0.000 2.425 255 A HA 0.062 4.379 4.320 -0.004 0.000 0.249 255 A C -0.050 177.521 177.584 -0.022 0.000 1.084 255 A CA -0.381 51.659 52.037 0.005 0.000 0.781 255 A CB 0.328 19.336 19.000 0.014 0.000 1.019 255 A HN 0.830 nan 8.150 nan 0.000 0.490 256 H N 2.404 121.428 119.070 -0.076 0.000 2.928 256 H HA 0.115 4.667 4.556 -0.006 0.000 0.338 256 H C -2.099 173.180 175.328 -0.083 0.000 1.047 256 H CA -0.815 55.170 56.048 -0.105 0.000 1.435 256 H CB 0.441 30.122 29.762 -0.135 0.000 1.428 256 H HN 0.366 nan 8.280 nan 0.000 0.590 257 P HA -0.076 nan 4.420 nan 0.000 0.267 257 P C -0.591 176.739 177.300 0.050 0.000 1.201 257 P CA -0.151 62.855 63.100 -0.158 0.000 0.775 257 P CB 0.539 32.091 31.700 -0.247 0.000 0.854 258 V N 4.127 124.050 119.914 0.014 0.000 2.488 258 V HA 0.129 4.247 4.120 -0.004 0.000 0.277 258 V C 0.403 176.513 176.094 0.027 0.000 1.046 258 V CA 0.075 62.392 62.300 0.028 0.000 0.986 258 V CB 0.021 31.832 31.823 -0.020 0.000 0.989 258 V HN 0.304 nan 8.190 nan 0.000 0.475 259 L N 5.314 126.563 121.223 0.043 0.000 2.325 259 L HA 0.879 5.216 4.340 -0.004 0.000 0.281 259 L C -0.022 176.877 176.870 0.049 0.000 1.004 259 L CA -0.287 54.572 54.840 0.032 0.000 0.823 259 L CB 1.531 43.598 42.059 0.013 0.000 1.236 259 L HN 0.756 nan 8.230 nan 0.000 0.415 260 A N 3.185 126.027 122.820 0.037 0.000 2.574 260 A HA 0.619 4.936 4.320 -0.004 0.000 0.297 260 A C -0.133 177.473 177.584 0.036 0.000 1.062 260 A CA -0.519 51.548 52.037 0.050 0.000 0.686 260 A CB 1.492 20.509 19.000 0.029 0.000 1.285 260 A HN 0.724 nan 8.150 nan 0.000 0.403 261 L N 1.065 122.315 121.223 0.045 0.000 2.567 261 L HA 0.111 4.449 4.340 -0.004 0.000 0.225 261 L C 1.433 178.319 176.870 0.027 0.000 1.119 261 L CA 0.807 55.664 54.840 0.029 0.000 0.871 261 L CB -0.375 41.699 42.059 0.025 0.000 1.036 261 L HN 0.923 nan 8.230 nan 0.000 0.459 262 T N -1.613 112.962 114.554 0.034 0.000 2.766 262 T HA 0.214 4.562 4.350 -0.004 0.000 0.295 262 T C 0.495 175.207 174.700 0.020 0.000 1.024 262 T CA -0.632 61.488 62.100 0.033 0.000 1.018 262 T CB 0.890 69.784 68.868 0.044 0.000 1.002 262 T HN 0.091 nan 8.240 nan 0.000 0.532 263 R N 1.706 122.217 120.500 0.018 0.000 2.543 263 R HA 0.154 4.492 4.340 -0.004 0.000 0.277 263 R C 1.073 177.386 176.300 0.022 0.000 1.074 263 R CA -0.616 55.491 56.100 0.011 0.000 1.076 263 R CB 0.465 30.764 30.300 -0.002 0.000 0.993 263 R HN 0.773 nan 8.270 nan 0.000 0.459 264 E N 3.776 123.989 120.200 0.021 0.000 2.408 264 E HA -0.197 4.150 4.350 -0.004 0.000 0.259 264 E C 0.495 177.157 176.600 0.103 0.000 1.110 264 E CA -0.203 56.224 56.400 0.045 0.000 0.929 264 E CB 0.493 30.209 29.700 0.027 0.000 0.971 264 E HN 0.733 nan 8.360 nan 0.000 0.438 265 W N 2.585 123.818 121.300 -0.112 0.000 2.304 265 W HA -0.250 4.406 4.660 -0.007 0.000 0.315 265 W C 1.619 178.108 176.519 -0.051 0.000 1.233 265 W CA 2.194 59.481 57.345 -0.096 0.000 1.261 265 W CB 0.190 29.576 29.460 -0.124 0.000 1.150 265 W HN 0.756 nan 8.180 nan 0.000 0.494 266 E N 0.188 120.462 120.200 0.125 0.000 2.418 266 E HA -0.102 4.246 4.350 -0.004 0.000 0.197 266 E C 1.690 178.268 176.600 -0.036 0.000 1.026 266 E CA 1.200 57.613 56.400 0.020 0.000 0.862 266 E CB -0.637 29.096 29.700 0.057 0.000 0.799 266 E HN 0.233 nan 8.360 nan 0.000 0.518 267 A N 1.089 123.888 122.820 -0.034 0.000 2.238 267 A HA 0.251 4.568 4.320 -0.004 0.000 0.210 267 A C 1.226 178.762 177.584 -0.080 0.000 1.179 267 A CA -0.260 51.750 52.037 -0.045 0.000 0.827 267 A CB -0.070 18.917 19.000 -0.022 0.000 0.856 267 A HN 0.140 nan 8.150 nan 0.000 0.488 268 L N 0.864 122.002 121.223 -0.142 0.000 2.395 268 L HA 0.233 4.571 4.340 -0.004 0.000 0.269 268 L C 0.345 177.098 176.870 -0.194 0.000 1.133 268 L CA -0.514 54.215 54.840 -0.184 0.000 0.812 268 L CB 0.813 42.695 42.059 -0.296 0.000 1.125 268 L HN 0.319 nan 8.230 nan 0.000 0.452 269 E N 0.814 120.925 120.200 -0.147 0.000 2.392 269 E HA -0.045 4.303 4.350 -0.004 0.000 0.256 269 E C -0.027 176.478 176.600 -0.158 0.000 1.145 269 E CA -0.307 56.017 56.400 -0.127 0.000 0.929 269 E CB 0.819 30.468 29.700 -0.084 0.000 0.998 269 E HN 0.544 nan 8.360 nan 0.000 0.442 270 D N 0.690 121.015 120.400 -0.126 0.000 2.133 270 D HA -0.176 4.461 4.640 -0.004 0.000 0.195 270 D C 1.749 177.987 176.300 -0.103 0.000 0.997 270 D CA 1.294 55.222 54.000 -0.120 0.000 0.840 270 D CB 0.248 41.005 40.800 -0.071 0.000 0.947 270 D HN 0.228 nan 8.370 nan 0.000 0.452 271 E N -0.122 120.032 120.200 -0.076 0.000 2.106 271 E HA -0.134 4.214 4.350 -0.004 0.000 0.192 271 E C 2.030 178.594 176.600 -0.059 0.000 0.984 271 E CA 0.949 57.318 56.400 -0.052 0.000 0.806 271 E CB -0.309 29.369 29.700 -0.037 0.000 0.750 271 E HN 0.538 nan 8.360 nan 0.000 0.458 272 E N 0.134 120.280 120.200 -0.090 0.000 2.047 272 E HA -0.090 4.257 4.350 -0.004 0.000 0.191 272 E C 2.482 179.002 176.600 -0.133 0.000 0.987 272 E CA 0.800 57.145 56.400 -0.092 0.000 0.799 272 E CB -0.194 29.443 29.700 -0.105 0.000 0.752 272 E HN 0.207 nan 8.360 nan 0.000 0.449 273 R N 0.613 120.936 120.500 -0.296 0.000 2.083 273 R HA -0.152 4.186 4.340 -0.004 0.000 0.237 273 R C 2.413 178.665 176.300 -0.080 0.000 1.137 273 R CA 1.292 57.083 56.100 -0.516 0.000 0.951 273 R CB -0.394 29.419 30.300 -0.812 0.000 0.851 273 R HN 0.126 nan 8.270 nan 0.000 0.434 274 A N 1.417 124.220 122.820 -0.028 0.000 1.902 274 A HA -0.190 4.127 4.320 -0.004 0.000 0.217 274 A C 1.940 179.586 177.584 0.104 0.000 1.181 274 A CA 1.444 53.523 52.037 0.069 0.000 0.623 274 A CB -0.243 18.778 19.000 0.034 0.000 0.818 274 A HN 0.226 nan 8.150 nan 0.000 0.443 275 K N -0.548 119.891 120.400 0.065 0.000 2.097 275 K HA -0.076 4.242 4.320 -0.004 0.000 0.205 275 K C 2.429 179.103 176.600 0.123 0.000 1.050 275 K CA 1.264 57.592 56.287 0.068 0.000 0.938 275 K CB -0.193 32.322 32.500 0.025 0.000 0.718 275 K HN 0.432 nan 8.250 nan 0.000 0.442 276 S N 0.673 116.503 115.700 0.217 0.000 2.355 276 S HA -0.122 4.346 4.470 -0.004 0.000 0.222 276 S C 2.092 176.961 174.600 0.447 0.000 1.031 276 S CA 1.175 59.620 58.200 0.407 0.000 0.993 276 S CB -0.202 63.374 63.200 0.626 0.000 0.859 276 S HN 0.362 nan 8.310 nan 0.000 0.453 277 A N 1.786 124.945 122.820 0.564 0.000 1.908 277 A HA -0.115 4.202 4.320 -0.004 0.000 0.218 277 A C 2.118 179.781 177.584 0.131 0.000 1.181 277 A CA 2.071 54.353 52.037 0.408 0.000 0.627 277 A CB -0.799 18.528 19.000 0.546 0.000 0.818 277 A HN 0.538 nan 8.150 nan 0.000 0.445 278 R N 0.222 120.802 120.500 0.134 0.000 2.096 278 R HA -0.027 4.311 4.340 -0.004 0.000 0.235 278 R C 2.114 178.415 176.300 0.003 0.000 1.127 278 R CA 1.899 58.042 56.100 0.072 0.000 0.968 278 R CB -0.910 29.432 30.300 0.071 0.000 0.861 278 R HN 0.396 nan 8.270 nan 0.000 0.440 279 A N 0.209 123.018 122.820 -0.018 0.000 1.883 279 A HA -0.196 4.122 4.320 -0.004 0.000 0.217 279 A C 2.149 179.626 177.584 -0.178 0.000 1.186 279 A CA 1.908 53.910 52.037 -0.058 0.000 0.624 279 A CB -0.596 18.396 19.000 -0.014 0.000 0.822 279 A HN 0.450 nan 8.150 nan 0.000 0.444 280 M N 0.191 119.506 119.600 -0.474 0.000 2.229 280 M HA -0.094 4.384 4.480 -0.004 0.000 0.264 280 M C 1.680 177.646 176.300 -0.557 0.000 1.063 280 M CA 1.823 56.625 55.300 -0.830 0.000 1.114 280 M CB -0.623 30.803 32.600 -1.956 0.000 1.387 280 M HN 0.552 nan 8.290 nan 0.000 0.420 281 E N -1.143 118.938 120.200 -0.199 0.000 2.077 281 E HA -0.171 4.177 4.350 -0.004 0.000 0.193 281 E C 1.940 178.502 176.600 -0.062 0.000 0.989 281 E CA 1.628 58.063 56.400 0.058 0.000 0.800 281 E CB -0.331 29.486 29.700 0.196 0.000 0.746 281 E HN 0.360 nan 8.360 nan 0.000 0.452 282 V N 0.853 120.737 119.914 -0.049 0.000 2.295 282 V HA -0.287 3.830 4.120 -0.004 0.000 0.246 282 V C 2.065 178.103 176.094 -0.093 0.000 1.049 282 V CA 1.939 64.211 62.300 -0.047 0.000 1.024 282 V CB -0.634 31.185 31.823 -0.007 0.000 0.648 282 V HN 0.305 nan 8.190 nan 0.000 0.447 283 Y N 1.485 121.645 120.300 -0.234 0.000 2.114 283 Y HA -0.341 4.207 4.550 -0.002 0.000 0.282 283 Y C 2.421 178.147 175.900 -0.290 0.000 1.165 283 Y CA 2.037 59.978 58.100 -0.265 0.000 1.148 283 Y CB -0.586 37.694 38.460 -0.299 0.000 0.972 283 Y HN 0.161 nan 8.280 nan 0.000 0.504 284 A N 0.433 123.111 122.820 -0.236 0.000 1.883 284 A HA -0.198 4.119 4.320 -0.004 0.000 0.217 284 A C 2.428 179.662 177.584 -0.584 0.000 1.186 284 A CA 2.213 53.947 52.037 -0.504 0.000 0.624 284 A CB -1.613 16.892 19.000 -0.826 0.000 0.822 284 A HN 0.658 nan 8.150 nan 0.000 0.444 285 A N -0.611 121.933 122.820 -0.461 0.000 1.933 285 A HA -0.138 4.180 4.320 -0.004 0.000 0.218 285 A C 2.253 179.730 177.584 -0.180 0.000 1.175 285 A CA 1.842 53.765 52.037 -0.191 0.000 0.628 285 A CB -0.572 18.385 19.000 -0.071 0.000 0.814 285 A HN 0.559 nan 8.150 nan 0.000 0.444 286 M N -0.769 118.689 119.600 -0.237 0.000 2.117 286 M HA -0.141 4.336 4.480 -0.004 0.000 0.262 286 M C 2.075 178.210 176.300 -0.275 0.000 1.065 286 M CA 1.433 56.594 55.300 -0.232 0.000 1.114 286 M CB -0.492 31.913 32.600 -0.326 0.000 1.361 286 M HN 0.259 nan 8.290 nan 0.000 0.408 287 V N 0.238 119.933 119.914 -0.364 0.000 2.358 287 V HA -0.242 3.876 4.120 -0.004 0.000 0.246 287 V C 2.227 178.212 176.094 -0.182 0.000 1.047 287 V CA 2.071 64.187 62.300 -0.307 0.000 1.035 287 V CB -0.764 30.867 31.823 -0.320 0.000 0.658 287 V HN 0.520 nan 8.190 nan 0.000 0.452 288 E N 0.347 120.477 120.200 -0.118 0.000 2.085 288 E HA -0.306 4.042 4.350 -0.004 0.000 0.194 288 E C 2.358 178.960 176.600 0.003 0.000 0.994 288 E CA 1.522 57.915 56.400 -0.011 0.000 0.801 288 E CB -0.051 29.704 29.700 0.091 0.000 0.743 288 E HN 0.349 nan 8.360 nan 0.000 0.453 289 R N 0.578 121.057 120.500 -0.034 0.000 2.092 289 R HA -0.049 4.288 4.340 -0.004 0.000 0.231 289 R C 2.310 178.645 176.300 0.058 0.000 1.119 289 R CA 1.625 57.741 56.100 0.027 0.000 0.970 289 R CB -0.525 29.771 30.300 -0.006 0.000 0.864 289 R HN 0.345 nan 8.270 nan 0.000 0.440 290 M N -0.053 119.461 119.600 -0.143 0.000 2.080 290 M HA -0.212 4.266 4.480 -0.004 0.000 0.260 290 M C 1.458 177.567 176.300 -0.318 0.000 1.068 290 M CA 2.533 57.564 55.300 -0.448 0.000 1.109 290 M CB -0.358 31.842 32.600 -0.668 0.000 1.342 290 M HN 0.206 nan 8.290 nan 0.000 0.405 291 D N -0.811 119.490 120.400 -0.165 0.000 2.123 291 D HA -0.265 4.373 4.640 -0.004 0.000 0.196 291 D C 1.640 177.967 176.300 0.044 0.000 0.992 291 D CA 1.874 55.824 54.000 -0.083 0.000 0.833 291 D CB -0.352 40.409 40.800 -0.065 0.000 0.954 291 D HN 0.629 nan 8.370 nan 0.000 0.455 292 W N 1.183 122.438 121.300 -0.076 0.000 2.358 292 W HA -0.111 4.547 4.660 -0.004 0.000 0.303 292 W C 1.941 178.461 176.519 0.001 0.000 1.208 292 W CA 1.346 58.672 57.345 -0.031 0.000 1.274 292 W CB -0.335 29.108 29.460 -0.028 0.000 1.138 292 W HN -0.044 nan 8.180 nan 0.000 0.515 293 N N 0.488 119.264 118.700 0.126 0.000 2.142 293 N HA -0.173 4.564 4.740 -0.004 0.000 0.186 293 N C 1.787 177.322 175.510 0.042 0.000 1.023 293 N CA 2.043 55.107 53.050 0.023 0.000 0.852 293 N CB -0.616 38.054 38.487 0.305 0.000 0.998 293 N HN 0.268 nan 8.380 nan 0.000 0.424 294 I N 1.033 121.673 120.570 0.117 0.000 2.208 294 I HA -0.212 3.956 4.170 -0.004 0.000 0.245 294 I C 2.510 178.625 176.117 -0.003 0.000 1.097 294 I CA 1.329 62.696 61.300 0.111 0.000 1.363 294 I CB -0.659 37.394 38.000 0.089 0.000 1.051 294 I HN 0.145 nan 8.210 nan 0.000 0.413 295 G N 0.649 109.404 108.800 -0.076 0.000 2.440 295 G HA2 -0.244 3.714 3.960 -0.004 0.000 0.218 295 G HA3 -0.244 3.714 3.960 -0.004 0.000 0.218 295 G C 1.790 176.593 174.900 -0.161 0.000 1.154 295 G CA 0.577 45.608 45.100 -0.114 0.000 0.767 295 G HN 0.320 nan 8.290 nan 0.000 0.552 296 R N -0.319 120.011 120.500 -0.283 0.000 2.081 296 R HA -0.019 4.318 4.340 -0.004 0.000 0.235 296 R C 2.660 178.892 176.300 -0.113 0.000 1.131 296 R CA 1.217 57.148 56.100 -0.282 0.000 0.960 296 R CB -0.528 29.508 30.300 -0.440 0.000 0.856 296 R HN 0.312 nan 8.270 nan 0.000 0.436 297 V N 0.289 120.164 119.914 -0.065 0.000 2.270 297 V HA -0.191 3.927 4.120 -0.004 0.000 0.245 297 V C 2.301 178.439 176.094 0.073 0.000 1.043 297 V CA 1.540 63.848 62.300 0.013 0.000 1.014 297 V CB -0.297 31.538 31.823 0.020 0.000 0.645 297 V HN 0.117 nan 8.190 nan 0.000 0.447 298 V N 0.360 120.302 119.914 0.048 0.000 2.343 298 V HA -0.246 3.872 4.120 -0.004 0.000 0.247 298 V C 2.259 178.375 176.094 0.036 0.000 1.051 298 V CA 2.165 64.498 62.300 0.055 0.000 1.036 298 V CB -0.719 31.127 31.823 0.039 0.000 0.654 298 V HN 0.553 nan 8.190 nan 0.000 0.451 299 D N -1.110 119.298 120.400 0.014 0.000 2.144 299 D HA -0.183 4.455 4.640 -0.004 0.000 0.200 299 D C 1.889 178.204 176.300 0.026 0.000 0.978 299 D CA 1.345 55.347 54.000 0.003 0.000 0.833 299 D CB -0.326 40.460 40.800 -0.022 0.000 0.961 299 D HN 0.580 nan 8.370 nan 0.000 0.470 300 Y N 1.505 121.773 120.300 -0.052 0.000 2.128 300 Y HA -0.167 4.381 4.550 -0.004 0.000 0.284 300 Y C 2.094 177.985 175.900 -0.015 0.000 1.154 300 Y CA 1.389 59.462 58.100 -0.045 0.000 1.149 300 Y CB -0.492 37.926 38.460 -0.069 0.000 0.976 300 Y HN -0.086 nan 8.280 nan 0.000 0.505 301 L N -0.034 121.127 121.223 -0.104 0.000 2.083 301 L HA -0.226 4.112 4.340 -0.004 0.000 0.209 301 L C 2.760 179.560 176.870 -0.117 0.000 1.083 301 L CA 1.739 56.501 54.840 -0.130 0.000 0.752 301 L CB -0.597 41.515 42.059 0.088 0.000 0.899 301 L HN 0.188 nan 8.230 nan 0.000 0.433 302 R N 0.490 120.950 120.500 -0.067 0.000 2.073 302 R HA -0.158 4.180 4.340 -0.004 0.000 0.234 302 R C 2.474 178.721 176.300 -0.088 0.000 1.134 302 R CA 1.481 57.550 56.100 -0.052 0.000 0.952 302 R CB -0.075 30.209 30.300 -0.026 0.000 0.850 302 R HN 0.248 nan 8.270 nan 0.000 0.433 303 R N -0.139 120.289 120.500 -0.120 0.000 2.152 303 R HA -0.075 4.262 4.340 -0.004 0.000 0.232 303 R C 2.151 178.352 176.300 -0.164 0.000 1.117 303 R CA 0.979 57.008 56.100 -0.118 0.000 0.981 303 R CB -0.042 30.203 30.300 -0.092 0.000 0.870 303 R HN 0.335 nan 8.270 nan 0.000 0.451 304 Q N -0.404 119.229 119.800 -0.278 0.000 2.436 304 Q HA -0.006 4.332 4.340 -0.004 0.000 0.209 304 Q C 1.016 176.943 176.000 -0.122 0.000 0.965 304 Q CA 1.014 56.665 55.803 -0.252 0.000 0.910 304 Q CB 0.483 28.971 28.738 -0.417 0.000 0.980 304 Q HN 0.583 nan 8.270 nan 0.000 0.491 305 G N 1.323 110.069 108.800 -0.089 0.000 2.176 305 G HA2 -0.249 3.708 3.960 -0.004 0.000 0.252 305 G HA3 -0.249 3.708 3.960 -0.004 0.000 0.252 305 G C 0.561 175.447 174.900 -0.022 0.000 1.024 305 G CA 0.550 45.623 45.100 -0.045 0.000 0.755 305 G HN 0.288 nan 8.290 nan 0.000 0.507 306 E N -1.159 119.032 120.200 -0.014 0.000 2.473 306 E HA 0.193 4.541 4.350 -0.004 0.000 0.204 306 E C 2.377 179.015 176.600 0.063 0.000 0.994 306 E CA 0.074 56.498 56.400 0.040 0.000 0.945 306 E CB 0.097 29.863 29.700 0.111 0.000 0.990 306 E HN 0.472 nan 8.360 nan 0.000 0.493 307 L N 1.817 123.070 121.223 0.050 0.000 2.093 307 L HA -0.094 4.244 4.340 -0.004 0.000 0.208 307 L C 1.361 178.284 176.870 0.088 0.000 1.085 307 L CA 1.754 56.641 54.840 0.078 0.000 0.755 307 L CB -0.190 41.900 42.059 0.051 0.000 0.904 307 L HN -0.118 nan 8.230 nan 0.000 0.435 308 D N -0.800 119.634 120.400 0.057 0.000 2.310 308 D HA -0.132 4.506 4.640 -0.004 0.000 0.212 308 D C 1.052 177.415 176.300 0.105 0.000 0.965 308 D CA 0.736 54.767 54.000 0.052 0.000 0.879 308 D CB -0.131 40.669 40.800 0.001 0.000 0.921 308 D HN 0.329 nan 8.370 nan 0.000 0.510 309 N N -0.200 118.569 118.700 0.116 0.000 2.273 309 N HA 0.018 4.756 4.740 -0.004 0.000 0.231 309 N C -1.181 174.408 175.510 0.132 0.000 1.134 309 N CA 0.033 53.184 53.050 0.167 0.000 0.856 309 N CB 0.417 38.936 38.487 0.054 0.000 1.068 309 N HN -0.219 nan 8.380 nan 0.000 0.510 310 T N 0.489 115.139 114.554 0.160 0.000 2.786 310 T HA 0.248 4.596 4.350 -0.004 0.000 0.283 310 T C -0.902 173.873 174.700 0.125 0.000 0.992 310 T CA -0.512 61.611 62.100 0.038 0.000 0.954 310 T CB 0.618 69.537 68.868 0.084 0.000 0.934 310 T HN 0.076 nan 8.240 nan 0.000 0.440 311 F N 5.170 124.957 119.950 -0.272 0.000 2.466 311 F HA 0.458 4.983 4.527 -0.004 0.000 0.363 311 F C -0.333 175.516 175.800 0.082 0.000 1.109 311 F CA -0.603 57.260 58.000 -0.229 0.000 1.161 311 F CB 0.257 39.041 39.000 -0.360 0.000 1.117 311 F HN 0.229 nan 8.300 nan 0.000 0.539 312 V N 8.190 128.080 119.914 -0.040 0.000 2.370 312 V HA 0.340 4.457 4.120 -0.004 0.000 0.279 312 V C -0.571 175.502 176.094 -0.035 0.000 1.029 312 V CA -0.762 61.576 62.300 0.063 0.000 0.870 312 V CB 1.230 33.100 31.823 0.078 0.000 0.984 312 V HN 0.635 nan 8.190 nan 0.000 0.451 313 L N 6.300 127.619 121.223 0.160 0.000 2.356 313 L HA 0.702 5.040 4.340 -0.004 0.000 0.277 313 L C -1.146 175.868 176.870 0.240 0.000 0.996 313 L CA -0.223 54.728 54.840 0.185 0.000 0.822 313 L CB 1.442 43.700 42.059 0.333 0.000 1.256 313 L HN 0.547 nan 8.230 nan 0.000 0.413 314 F N 6.886 126.879 119.950 0.071 0.000 2.508 314 F HA 0.843 5.368 4.527 -0.004 0.000 0.325 314 F C -0.644 175.177 175.800 0.035 0.000 1.090 314 F CA -0.646 57.400 58.000 0.077 0.000 0.945 314 F CB 1.629 40.669 39.000 0.067 0.000 1.156 314 F HN 0.651 nan 8.300 nan 0.000 0.463 315 M N 3.390 122.418 119.600 -0.954 0.000 2.603 315 M HA 0.473 4.951 4.480 -0.004 0.000 0.275 315 M C -1.468 174.390 176.300 -0.738 0.000 1.226 315 M CA -0.844 54.071 55.300 -0.642 0.000 0.870 315 M CB 1.695 34.205 32.600 -0.150 0.000 1.716 315 M HN 0.437 nan 8.290 nan 0.000 0.482 316 S N -0.021 115.489 115.700 -0.317 0.000 2.632 316 S HA 0.284 4.752 4.470 -0.004 0.000 0.267 316 S C 0.283 174.906 174.600 0.037 0.000 1.276 316 S CA 0.095 58.236 58.200 -0.098 0.000 0.998 316 S CB 0.728 63.947 63.200 0.033 0.000 0.953 316 S HN 0.908 nan 8.310 nan 0.000 0.547 317 D N 0.703 121.141 120.400 0.065 0.000 2.360 317 D HA 0.086 4.724 4.640 -0.004 0.000 0.210 317 D C 0.268 176.632 176.300 0.107 0.000 1.047 317 D CA 0.105 54.161 54.000 0.093 0.000 0.854 317 D CB -0.351 40.496 40.800 0.078 0.000 0.936 317 D HN 0.686 nan 8.370 nan 0.000 0.514 318 N N -1.595 117.177 118.700 0.120 0.000 3.373 318 N HA 0.196 4.934 4.740 -0.004 0.000 0.275 318 N C -0.115 175.486 175.510 0.151 0.000 1.489 318 N CA -0.757 52.371 53.050 0.131 0.000 0.872 318 N CB 0.490 39.056 38.487 0.132 0.000 1.555 318 N HN -0.055 nan 8.380 nan 0.000 0.500 319 G N -0.499 108.401 108.800 0.165 0.000 2.667 319 G HA2 0.473 4.430 3.960 -0.004 0.000 0.250 319 G HA3 0.473 4.430 3.960 -0.004 0.000 0.250 319 G C 0.332 175.374 174.900 0.237 0.000 1.212 319 G CA 0.111 45.328 45.100 0.194 0.000 0.874 319 G HN 0.767 nan 8.290 nan 0.000 0.561 320 A N -0.321 122.653 122.820 0.257 0.000 2.507 320 A HA 0.391 4.708 4.320 -0.004 0.000 0.235 320 A C 0.548 178.308 177.584 0.293 0.000 1.070 320 A CA 0.153 52.357 52.037 0.278 0.000 0.768 320 A CB 0.297 19.462 19.000 0.274 0.000 1.011 320 A HN 0.664 nan 8.150 nan 0.000 0.502 321 E N 1.204 121.574 120.200 0.283 0.000 1.963 321 E HA 0.427 4.774 4.350 -0.004 0.000 0.274 321 E C 0.860 177.575 176.600 0.191 0.000 1.061 321 E CA 0.459 57.015 56.400 0.260 0.000 0.847 321 E CB 0.123 29.947 29.700 0.206 0.000 1.083 321 E HN 0.592 nan 8.360 nan 0.000 0.402 322 G N 3.190 111.856 108.800 -0.223 0.000 3.042 322 G HA2 0.227 4.185 3.960 -0.004 0.000 0.212 322 G HA3 0.227 4.185 3.960 -0.004 0.000 0.212 322 G C 0.542 175.260 174.900 -0.302 0.000 1.166 322 G CA 0.194 44.828 45.100 -0.776 0.000 0.767 322 G HN 0.667 nan 8.290 nan 0.000 0.546 323 A N 0.212 123.108 122.820 0.128 0.000 2.483 323 A HA 0.535 4.852 4.320 -0.004 0.000 0.238 323 A C 0.044 177.779 177.584 0.251 0.000 1.070 323 A CA -0.029 52.196 52.037 0.312 0.000 0.770 323 A CB 0.291 19.477 19.000 0.310 0.000 1.008 323 A HN 0.270 nan 8.150 nan 0.000 0.497 324 L N 3.634 125.049 121.223 0.321 0.000 2.270 324 L HA 0.179 4.517 4.340 -0.004 0.000 0.286 324 L C 0.857 177.838 176.870 0.185 0.000 1.059 324 L CA -0.310 54.712 54.840 0.303 0.000 0.839 324 L CB 0.773 42.994 42.059 0.270 0.000 1.221 324 L HN 0.802 nan 8.230 nan 0.000 0.431 325 L N 2.444 123.440 121.223 -0.378 0.000 2.191 325 L HA -0.156 4.182 4.340 -0.004 0.000 0.212 325 L C 2.447 179.347 176.870 0.050 0.000 1.103 325 L CA 0.870 55.483 54.840 -0.379 0.000 0.769 325 L CB -0.342 40.765 42.059 -1.585 0.000 0.908 325 L HN 0.729 nan 8.230 nan 0.000 0.438 326 E N 1.125 121.404 120.200 0.131 0.000 2.409 326 E HA -0.155 4.193 4.350 -0.004 0.000 0.198 326 E C 1.705 178.373 176.600 0.112 0.000 1.024 326 E CA 1.147 57.663 56.400 0.194 0.000 0.861 326 E CB 0.030 29.910 29.700 0.299 0.000 0.788 326 E HN 0.431 nan 8.360 nan 0.000 0.521 327 A N 0.468 123.309 122.820 0.035 0.000 2.275 327 A HA 0.239 4.556 4.320 -0.004 0.000 0.212 327 A C 0.061 177.387 177.584 -0.430 0.000 1.201 327 A CA -0.304 51.603 52.037 -0.216 0.000 0.843 327 A CB -0.196 18.608 19.000 -0.327 0.000 0.873 327 A HN 0.127 nan 8.150 nan 0.000 0.492 328 F N -0.502 119.423 119.950 -0.043 0.000 2.375 328 F HA 0.391 4.921 4.527 0.005 0.000 0.361 328 F C -1.726 173.985 175.800 -0.148 0.000 1.117 328 F CA -2.144 55.745 58.000 -0.183 0.000 1.037 328 F CB 1.571 40.279 39.000 -0.488 0.000 1.192 328 F HN -0.026 nan 8.300 nan 0.000 0.452 329 P HA -0.202 nan 4.420 nan 0.000 0.217 329 P C 1.729 179.033 177.300 0.008 0.000 1.148 329 P CA 1.792 64.900 63.100 0.013 0.000 0.828 329 P CB 0.189 31.885 31.700 -0.007 0.000 0.783 330 K N -1.219 119.145 120.400 -0.059 0.000 2.362 330 K HA -0.109 4.209 4.320 -0.004 0.000 0.200 330 K C 1.563 178.178 176.600 0.026 0.000 1.046 330 K CA 1.267 57.511 56.287 -0.072 0.000 0.952 330 K CB -1.729 30.668 32.500 -0.171 0.000 0.753 330 K HN 0.104 nan 8.250 nan 0.000 0.466 331 F N 0.359 120.313 119.950 0.007 0.000 2.743 331 F HA 0.276 4.802 4.527 -0.003 0.000 0.297 331 F C 1.775 177.537 175.800 -0.064 0.000 1.131 331 F CA -0.657 57.314 58.000 -0.049 0.000 1.426 331 F CB -0.505 38.438 39.000 -0.094 0.000 1.116 331 F HN 0.259 nan 8.300 nan 0.000 0.583 332 G N 0.763 109.642 108.800 0.132 0.000 2.494 332 G HA2 0.291 4.248 3.960 -0.004 0.000 0.270 332 G HA3 0.291 4.248 3.960 -0.004 0.000 0.270 332 G C -2.445 172.467 174.900 0.020 0.000 1.423 332 G CA -0.915 44.220 45.100 0.059 0.000 1.055 332 G HN -0.129 nan 8.290 nan 0.000 0.536 333 P HA 0.163 nan 4.420 nan 0.000 0.278 333 P C -0.509 176.820 177.300 0.048 0.000 1.238 333 P CA 0.179 63.299 63.100 0.033 0.000 0.794 333 P CB 1.071 32.794 31.700 0.038 0.000 0.955 334 D N 0.457 120.903 120.400 0.076 0.000 2.735 334 D HA -0.181 4.456 4.640 -0.004 0.000 0.235 334 D C 0.607 176.994 176.300 0.145 0.000 1.175 334 D CA 0.239 54.305 54.000 0.111 0.000 0.683 334 D CB -1.010 39.868 40.800 0.129 0.000 1.008 334 D HN 0.206 nan 8.370 nan 0.000 0.416 335 L N 1.086 122.376 121.223 0.113 0.000 2.012 335 L HA -0.085 4.253 4.340 -0.004 0.000 0.210 335 L C 2.134 179.124 176.870 0.199 0.000 1.073 335 L CA 1.812 56.722 54.840 0.117 0.000 0.748 335 L CB -0.427 41.666 42.059 0.058 0.000 0.891 335 L HN 0.533 nan 8.230 nan 0.000 0.431 336 L N -0.725 120.613 121.223 0.192 0.000 2.083 336 L HA -0.138 4.200 4.340 -0.004 0.000 0.209 336 L C 2.525 179.500 176.870 0.176 0.000 1.083 336 L CA 1.285 56.236 54.840 0.185 0.000 0.752 336 L CB -1.408 40.741 42.059 0.150 0.000 0.899 336 L HN 0.483 nan 8.230 nan 0.000 0.433 337 G N -0.639 108.267 108.800 0.176 0.000 2.402 337 G HA2 -0.301 3.657 3.960 -0.004 0.000 0.216 337 G HA3 -0.301 3.657 3.960 -0.004 0.000 0.216 337 G C 1.498 176.527 174.900 0.216 0.000 1.162 337 G CA 0.394 45.590 45.100 0.161 0.000 0.777 337 G HN 0.272 nan 8.290 nan 0.000 0.539 338 F N 1.183 121.217 119.950 0.141 0.000 2.134 338 F HA 0.037 4.561 4.527 -0.005 0.000 0.299 338 F C 2.478 178.457 175.800 0.298 0.000 1.097 338 F CA 1.135 59.270 58.000 0.225 0.000 1.264 338 F CB -0.068 39.028 39.000 0.160 0.000 1.001 338 F HN 0.015 nan 8.300 nan 0.000 0.479 339 L N -0.184 121.274 121.223 0.391 0.000 2.083 339 L HA -0.228 4.110 4.340 -0.004 0.000 0.209 339 L C 2.060 179.083 176.870 0.255 0.000 1.083 339 L CA 1.853 56.895 54.840 0.337 0.000 0.752 339 L CB -0.875 41.291 42.059 0.178 0.000 0.899 339 L HN 0.151 nan 8.230 nan 0.000 0.433 340 D N 0.088 120.579 120.400 0.152 0.000 2.178 340 D HA -0.170 4.467 4.640 -0.004 0.000 0.201 340 D C 2.259 178.564 176.300 0.007 0.000 0.980 340 D CA 1.165 55.213 54.000 0.079 0.000 0.842 340 D CB 0.198 41.032 40.800 0.057 0.000 0.948 340 D HN 0.121 nan 8.370 nan 0.000 0.472 341 R N -1.626 118.837 120.500 -0.062 0.000 2.254 341 R HA 0.119 4.457 4.340 -0.004 0.000 0.195 341 R C 1.210 177.189 176.300 -0.536 0.000 0.957 341 R CA 0.460 56.394 56.100 -0.276 0.000 1.024 341 R CB 0.281 30.377 30.300 -0.341 0.000 0.952 341 R HN 0.378 nan 8.270 nan 0.000 0.484 342 H N -2.030 116.937 119.070 -0.171 0.000 3.255 342 H HA 0.194 4.748 4.556 -0.004 0.000 0.256 342 H C -0.292 174.907 175.328 -0.215 0.000 1.049 342 H CA 0.276 56.172 56.048 -0.252 0.000 1.202 342 H CB 0.798 30.239 29.762 -0.535 0.000 1.497 342 H HN -0.022 nan 8.280 nan 0.000 0.503 343 Y N 0.388 120.765 120.300 0.127 0.000 2.659 343 Y HA 0.340 4.889 4.550 -0.003 0.000 0.333 343 Y C -0.192 175.749 175.900 0.069 0.000 1.064 343 Y CA -1.181 57.014 58.100 0.159 0.000 1.141 343 Y CB 1.448 40.059 38.460 0.252 0.000 1.316 343 Y HN -0.138 nan 8.280 nan 0.000 0.509 344 D N 0.335 120.871 120.400 0.226 0.000 2.440 344 D HA 0.237 4.874 4.640 -0.004 0.000 0.252 344 D C -0.828 175.543 176.300 0.119 0.000 1.180 344 D CA -0.378 53.690 54.000 0.113 0.000 0.894 344 D CB 0.274 41.096 40.800 0.036 0.000 1.111 344 D HN 0.421 nan 8.370 nan 0.000 0.544 345 N N 1.389 120.149 118.700 0.100 0.000 2.279 345 N HA 0.032 4.770 4.740 -0.004 0.000 0.226 345 N C -0.031 175.497 175.510 0.031 0.000 1.126 345 N CA -0.103 52.987 53.050 0.065 0.000 0.846 345 N CB 0.449 38.962 38.487 0.044 0.000 1.050 345 N HN 0.454 nan 8.380 nan 0.000 0.502 346 S N -0.099 115.618 115.700 0.029 0.000 2.573 346 S HA 0.008 4.476 4.470 -0.004 0.000 0.277 346 S C 1.623 176.232 174.600 0.015 0.000 1.346 346 S CA -0.574 57.635 58.200 0.015 0.000 1.034 346 S CB 0.995 64.200 63.200 0.008 0.000 0.879 346 S HN 0.166 nan 8.310 nan 0.000 0.528 347 L N 2.106 123.336 121.223 0.012 0.000 1.997 347 L HA -0.101 4.236 4.340 -0.004 0.000 0.216 347 L C 2.873 179.754 176.870 0.017 0.000 1.074 347 L CA 2.947 57.798 54.840 0.017 0.000 0.763 347 L CB -1.620 40.449 42.059 0.016 0.000 0.890 347 L HN 1.001 nan 8.230 nan 0.000 0.434 348 E N -1.082 119.124 120.200 0.009 0.000 2.347 348 E HA -0.189 4.159 4.350 -0.004 0.000 0.196 348 E C 1.890 178.490 176.600 0.000 0.000 1.008 348 E CA 1.115 57.517 56.400 0.004 0.000 0.852 348 E CB -1.046 28.651 29.700 -0.004 0.000 0.783 348 E HN 0.718 nan 8.360 nan 0.000 0.505 349 N N -0.996 117.708 118.700 0.005 0.000 2.325 349 N HA 0.137 4.875 4.740 -0.004 0.000 0.182 349 N C 0.125 175.649 175.510 0.024 0.000 1.088 349 N CA -0.278 52.775 53.050 0.005 0.000 0.879 349 N CB -0.054 38.437 38.487 0.006 0.000 0.983 349 N HN 0.389 nan 8.380 nan 0.000 0.471 350 I N 0.233 120.822 120.570 0.031 0.000 2.741 350 I HA 0.033 4.201 4.170 -0.004 0.000 0.288 350 I C 1.420 177.564 176.117 0.045 0.000 1.192 350 I CA 0.977 62.303 61.300 0.043 0.000 1.426 350 I CB 0.223 38.242 38.000 0.031 0.000 1.367 350 I HN 0.378 nan 8.210 nan 0.000 0.563 351 G N 4.733 113.575 108.800 0.071 0.000 2.238 351 G HA2 -0.174 3.784 3.960 -0.004 0.000 0.217 351 G HA3 -0.174 3.784 3.960 -0.004 0.000 0.217 351 G C 0.471 175.437 174.900 0.111 0.000 0.996 351 G CA -0.650 44.501 45.100 0.086 0.000 0.632 351 G HN 0.450 nan 8.290 nan 0.000 0.503 352 R N 0.425 120.960 120.500 0.058 0.000 2.583 352 R HA 0.724 5.062 4.340 -0.004 0.000 0.268 352 R C 1.852 178.188 176.300 0.061 0.000 1.101 352 R CA 0.168 56.253 56.100 -0.026 0.000 1.180 352 R CB -0.067 30.182 30.300 -0.084 0.000 1.128 352 R HN 0.489 nan 8.270 nan 0.000 0.568 353 A N 1.527 124.286 122.820 -0.100 0.000 1.986 353 A HA -0.212 4.105 4.320 -0.004 0.000 0.220 353 A C 1.138 178.845 177.584 0.204 0.000 1.171 353 A CA 2.014 54.125 52.037 0.122 0.000 0.640 353 A CB -0.536 18.428 19.000 -0.061 0.000 0.811 353 A HN 0.768 nan 8.150 nan 0.000 0.451 354 N N -0.213 118.475 118.700 -0.021 0.000 2.321 354 N HA 0.055 4.793 4.740 -0.004 0.000 0.242 354 N C -0.055 175.657 175.510 0.337 0.000 1.141 354 N CA 0.554 53.582 53.050 -0.036 0.000 0.864 354 N CB -0.245 37.951 38.487 -0.486 0.000 1.100 354 N HN 0.401 nan 8.380 nan 0.000 0.510 355 S N -0.481 115.435 115.700 0.359 0.000 2.690 355 S HA 0.551 5.018 4.470 -0.004 0.000 0.291 355 S C -1.081 173.764 174.600 0.409 0.000 1.138 355 S CA -0.638 57.770 58.200 0.346 0.000 1.013 355 S CB 1.509 64.819 63.200 0.182 0.000 1.053 355 S HN 0.239 nan 8.310 nan 0.000 0.539 356 Y N 1.113 121.487 120.300 0.125 0.000 2.379 356 Y HA 0.469 5.016 4.550 -0.005 0.000 0.342 356 Y C -0.810 175.110 175.900 0.033 0.000 1.126 356 Y CA -0.700 57.435 58.100 0.058 0.000 1.310 356 Y CB 1.088 39.373 38.460 -0.293 0.000 1.115 356 Y HN 0.918 nan 8.280 nan 0.000 0.505 357 V N 1.317 121.309 119.914 0.130 0.000 3.102 357 V HA 0.916 5.034 4.120 -0.004 0.000 0.312 357 V C -1.531 174.672 176.094 0.181 0.000 1.135 357 V CA -1.122 61.129 62.300 -0.082 0.000 1.022 357 V CB 2.155 33.894 31.823 -0.140 0.000 1.056 357 V HN 0.643 nan 8.190 nan 0.000 0.436 358 W N 2.277 123.637 121.300 0.099 0.000 3.107 358 W HA 0.741 5.397 4.660 -0.007 0.000 0.331 358 W C -0.292 176.345 176.519 0.198 0.000 1.204 358 W CA -0.861 56.549 57.345 0.109 0.000 1.184 358 W CB 0.976 30.429 29.460 -0.012 0.000 1.421 358 W HN 0.747 nan 8.180 nan 0.000 0.544 359 Y N 1.087 121.535 120.300 0.247 0.000 2.462 359 Y HA 0.500 5.048 4.550 -0.004 0.000 0.261 359 Y C 0.784 176.840 175.900 0.259 0.000 1.146 359 Y CA -0.998 57.184 58.100 0.137 0.000 1.283 359 Y CB -0.952 37.462 38.460 -0.076 0.000 1.090 359 Y HN 1.240 nan 8.280 nan 0.000 0.526 360 G N 1.803 110.929 108.800 0.544 0.000 2.760 360 G HA2 -0.224 3.733 3.960 -0.004 0.000 0.246 360 G HA3 -0.224 3.733 3.960 -0.004 0.000 0.246 360 G C -1.951 172.987 174.900 0.063 0.000 1.359 360 G CA -0.321 44.967 45.100 0.312 0.000 0.861 360 G HN 0.150 nan 8.290 nan 0.000 0.541 361 P HA -0.023 nan 4.420 nan 0.000 0.222 361 P C 1.598 178.788 177.300 -0.183 0.000 1.153 361 P CA 1.142 64.116 63.100 -0.210 0.000 0.798 361 P CB 0.089 31.757 31.700 -0.054 0.000 0.796 362 R N -1.025 119.365 120.500 -0.184 0.000 2.075 362 R HA -0.027 4.310 4.340 -0.004 0.000 0.226 362 R C 2.480 178.535 176.300 -0.409 0.000 1.114 362 R CA 1.292 57.221 56.100 -0.284 0.000 0.972 362 R CB -0.814 29.288 30.300 -0.330 0.000 0.869 362 R HN 0.218 nan 8.270 nan 0.000 0.437 363 W N 1.133 122.171 121.300 -0.436 0.000 2.338 363 W HA -0.188 4.471 4.660 -0.002 0.000 0.304 363 W C 2.562 178.615 176.519 -0.778 0.000 1.212 363 W CA 1.007 57.910 57.345 -0.737 0.000 1.264 363 W CB -0.249 28.500 29.460 -1.185 0.000 1.142 363 W HN 0.199 nan 8.180 nan 0.000 0.512 364 A N -0.148 122.387 122.820 -0.476 0.000 1.902 364 A HA -0.252 4.066 4.320 -0.004 0.000 0.217 364 A C 1.823 179.370 177.584 -0.062 0.000 1.181 364 A CA 1.675 53.582 52.037 -0.217 0.000 0.623 364 A CB -0.826 18.093 19.000 -0.136 0.000 0.818 364 A HN 0.422 nan 8.150 nan 0.000 0.443 365 Q N -0.792 118.964 119.800 -0.073 0.000 2.369 365 Q HA 0.054 4.391 4.340 -0.004 0.000 0.206 365 Q C 2.212 178.211 176.000 -0.003 0.000 0.963 365 Q CA 0.703 56.515 55.803 0.014 0.000 0.894 365 Q CB -0.291 28.463 28.738 0.027 0.000 0.965 365 Q HN 0.706 nan 8.270 nan 0.000 0.475 366 A N 0.801 123.590 122.820 -0.052 0.000 1.933 366 A HA -0.107 4.210 4.320 -0.004 0.000 0.218 366 A C 2.143 179.766 177.584 0.066 0.000 1.175 366 A CA 1.633 53.664 52.037 -0.010 0.000 0.628 366 A CB -0.420 18.571 19.000 -0.015 0.000 0.814 366 A HN 0.385 nan 8.150 nan 0.000 0.444 367 A N -0.872 121.994 122.820 0.078 0.000 2.081 367 A HA 0.126 4.444 4.320 -0.004 0.000 0.214 367 A C 2.193 179.904 177.584 0.213 0.000 1.158 367 A CA 1.733 53.861 52.037 0.152 0.000 0.724 367 A CB -0.728 18.369 19.000 0.161 0.000 0.826 367 A HN 0.674 nan 8.150 nan 0.000 0.463 368 T N -2.479 112.177 114.554 0.169 0.000 3.067 368 T HA 0.460 4.808 4.350 -0.004 0.000 0.257 368 T C 0.971 175.748 174.700 0.129 0.000 1.105 368 T CA 0.506 62.706 62.100 0.165 0.000 1.104 368 T CB -0.506 68.440 68.868 0.129 0.000 0.925 368 T HN 0.585 nan 8.240 nan 0.000 0.498 369 A N 3.488 126.381 122.820 0.122 0.000 2.531 369 A HA 0.397 4.715 4.320 -0.004 0.000 0.236 369 A C -0.929 176.736 177.584 0.135 0.000 1.062 369 A CA -1.001 51.095 52.037 0.097 0.000 0.760 369 A CB 0.143 19.191 19.000 0.079 0.000 0.995 369 A HN 0.351 nan 8.150 nan 0.000 0.501 370 P HA 0.084 nan 4.420 nan 0.000 0.257 370 P C -0.055 177.254 177.300 0.016 0.000 1.325 370 P CA 0.035 63.163 63.100 0.048 0.000 0.850 370 P CB 0.048 31.774 31.700 0.043 0.000 1.324 371 S N 0.718 116.406 115.700 -0.020 0.000 2.603 371 S HA 0.214 4.681 4.470 -0.004 0.000 0.268 371 S C 0.482 175.023 174.600 -0.098 0.000 1.317 371 S CA -0.549 57.605 58.200 -0.077 0.000 1.012 371 S CB 0.839 63.968 63.200 -0.119 0.000 0.926 371 S HN 0.092 nan 8.310 nan 0.000 0.539 372 R N 1.406 121.767 120.500 -0.233 0.000 2.296 372 R HA 0.370 4.707 4.340 -0.004 0.000 0.323 372 R C 0.031 176.078 176.300 -0.422 0.000 1.067 372 R CA 0.087 55.883 56.100 -0.508 0.000 0.946 372 R CB -0.682 29.181 30.300 -0.727 0.000 0.991 372 R HN 0.713 nan 8.270 nan 0.000 0.448 373 L N 2.360 123.338 121.223 -0.408 0.000 7.357 373 L HA -0.402 3.936 4.340 -0.004 0.000 0.053 373 L C -0.547 176.237 176.870 -0.144 0.000 1.534 373 L CA 1.452 56.002 54.840 -0.483 0.000 1.544 373 L CB -1.434 39.949 42.059 -1.128 0.000 2.835 373 L HN 0.883 nan 8.230 nan 0.000 1.139 374 Y N -2.915 117.361 120.300 -0.040 0.000 2.930 374 Y HA 0.481 5.027 4.550 -0.007 0.000 0.336 374 Y C -0.334 175.730 175.900 0.274 0.000 1.416 374 Y CA -1.140 57.033 58.100 0.121 0.000 1.091 374 Y CB 0.312 38.849 38.460 0.130 0.000 1.631 374 Y HN 0.460 nan 8.280 nan 0.000 0.436 375 K N 1.156 121.883 120.400 0.545 0.000 2.578 375 K HA 0.224 4.541 4.320 -0.004 0.000 0.279 375 K C 0.812 177.650 176.600 0.396 0.000 0.983 375 K CA 1.871 58.403 56.287 0.408 0.000 1.078 375 K CB -0.137 32.590 32.500 0.379 0.000 0.852 375 K HN 1.759 nan 8.250 nan 0.000 0.490 376 A N 2.532 125.497 122.820 0.242 0.000 3.201 376 A HA -0.196 4.121 4.320 -0.004 0.000 0.260 376 A C -0.482 177.046 177.584 -0.094 0.000 1.222 376 A CA 1.135 53.253 52.037 0.134 0.000 1.124 376 A CB -2.292 16.759 19.000 0.085 0.000 1.155 376 A HN 0.570 nan 8.150 nan 0.000 0.924 377 F N -0.127 119.835 119.950 0.021 0.000 2.470 377 F HA 0.529 5.051 4.527 -0.009 0.000 0.329 377 F C 1.793 177.567 175.800 -0.043 0.000 1.072 377 F CA 0.395 58.367 58.000 -0.045 0.000 0.989 377 F CB 1.561 40.445 39.000 -0.194 0.000 1.193 377 F HN 0.201 nan 8.300 nan 0.000 0.481 378 T N -3.283 111.344 114.554 0.123 0.000 3.129 378 T HA 0.050 4.398 4.350 -0.004 0.000 0.251 378 T C 0.691 175.328 174.700 -0.104 0.000 1.117 378 T CA 0.101 62.196 62.100 -0.009 0.000 1.034 378 T CB -1.063 67.844 68.868 0.065 0.000 0.968 378 T HN 0.632 nan 8.240 nan 0.000 0.526 379 T N 0.084 114.608 114.554 -0.051 0.000 2.802 379 T HA 0.144 4.492 4.350 -0.004 0.000 0.305 379 T C 1.268 175.868 174.700 -0.166 0.000 1.053 379 T CA -0.709 61.304 62.100 -0.145 0.000 1.058 379 T CB 0.719 69.457 68.868 -0.217 0.000 0.988 379 T HN -0.034 nan 8.240 nan 0.000 0.539 380 Q N 0.948 120.640 119.800 -0.179 0.000 2.234 380 Q HA -0.062 4.276 4.340 -0.004 0.000 0.206 380 Q C 2.512 178.439 176.000 -0.121 0.000 0.980 380 Q CA 1.866 57.586 55.803 -0.139 0.000 0.869 380 Q CB -1.135 27.529 28.738 -0.124 0.000 0.912 380 Q HN 1.002 nan 8.270 nan 0.000 0.436 381 G N 0.043 108.770 108.800 -0.123 0.000 2.448 381 G HA2 -0.148 3.810 3.960 -0.004 0.000 0.219 381 G HA3 -0.148 3.810 3.960 -0.004 0.000 0.219 381 G C 1.376 176.294 174.900 0.030 0.000 1.127 381 G CA 0.883 45.951 45.100 -0.053 0.000 0.766 381 G HN 0.488 nan 8.290 nan 0.000 0.552 382 G N 0.672 109.486 108.800 0.024 0.000 2.595 382 G HA2 0.150 4.107 3.960 -0.004 0.000 0.213 382 G HA3 0.150 4.107 3.960 -0.004 0.000 0.213 382 G C 1.591 176.524 174.900 0.054 0.000 1.141 382 G CA 0.813 45.970 45.100 0.095 0.000 0.806 382 G HN 0.650 nan 8.290 nan 0.000 0.530 383 I N -3.649 116.907 120.570 -0.023 0.000 4.288 383 I HA 0.491 4.658 4.170 -0.004 0.000 0.331 383 I C 0.715 176.814 176.117 -0.030 0.000 1.322 383 I CA -0.506 60.785 61.300 -0.015 0.000 1.149 383 I CB 0.554 38.435 38.000 -0.199 0.000 1.112 383 I HN -0.224 nan 8.210 nan 0.000 0.403 384 R N 3.463 123.887 120.500 -0.126 0.000 2.234 384 R HA 0.483 4.821 4.340 -0.004 0.000 0.324 384 R C -0.872 175.364 176.300 -0.107 0.000 1.054 384 R CA -0.008 55.903 56.100 -0.314 0.000 0.912 384 R CB 1.308 31.372 30.300 -0.394 0.000 1.030 384 R HN 0.262 nan 8.270 nan 0.000 0.455 385 V N 2.331 122.265 119.914 0.033 0.000 3.001 385 V HA 0.730 4.848 4.120 -0.004 0.000 0.314 385 V C -2.605 173.696 176.094 0.345 0.000 1.099 385 V CA -2.568 59.862 62.300 0.216 0.000 0.989 385 V CB 2.177 34.127 31.823 0.212 0.000 1.040 385 V HN 0.647 nan 8.190 nan 0.000 0.434 386 P HA 0.585 nan 4.420 nan 0.000 0.275 386 P C -0.651 176.602 177.300 -0.079 0.000 1.227 386 P CA 0.138 63.154 63.100 -0.141 0.000 0.781 386 P CB 1.490 32.691 31.700 -0.832 0.000 0.906 387 A N 3.115 125.951 122.820 0.027 0.000 2.572 387 A HA 0.770 5.087 4.320 -0.004 0.000 0.295 387 A C -1.202 176.512 177.584 0.217 0.000 1.072 387 A CA -0.641 51.387 52.037 -0.015 0.000 0.691 387 A CB 1.256 19.947 19.000 -0.516 0.000 1.291 387 A HN 0.557 nan 8.150 nan 0.000 0.404 388 L N -1.204 120.125 121.223 0.176 0.000 2.424 388 L HA 0.959 5.297 4.340 -0.004 0.000 0.258 388 L C -1.381 175.505 176.870 0.026 0.000 0.995 388 L CA -0.856 54.075 54.840 0.152 0.000 0.821 388 L CB 1.943 44.144 42.059 0.237 0.000 1.383 388 L HN 0.413 nan 8.230 nan 0.000 0.410 389 V N 1.660 121.529 119.914 -0.075 0.000 2.483 389 V HA 0.733 4.851 4.120 -0.004 0.000 0.297 389 V C -0.600 175.373 176.094 -0.201 0.000 1.027 389 V CA -0.378 61.791 62.300 -0.219 0.000 0.855 389 V CB 1.518 33.164 31.823 -0.295 0.000 0.995 389 V HN 0.832 nan 8.190 nan 0.000 0.424 390 R N 4.050 124.433 120.500 -0.195 0.000 2.360 390 R HA 0.600 4.938 4.340 -0.004 0.000 0.318 390 R C -1.877 174.407 176.300 -0.026 0.000 0.950 390 R CA -0.648 55.399 56.100 -0.089 0.000 0.837 390 R CB 0.751 31.034 30.300 -0.029 0.000 1.165 390 R HN 0.634 nan 8.270 nan 0.000 0.458 391 Y N 7.105 127.311 120.300 -0.158 0.000 2.283 391 Y HA 0.301 4.849 4.550 -0.004 0.000 0.329 391 Y C -2.357 173.526 175.900 -0.028 0.000 1.181 391 Y CA -2.198 55.861 58.100 -0.069 0.000 1.283 391 Y CB 1.890 40.331 38.460 -0.031 0.000 1.186 391 Y HN 0.601 nan 8.280 nan 0.000 0.436 392 P HA -0.055 nan 4.420 nan 0.000 0.234 392 P C 1.469 178.568 177.300 -0.335 0.000 1.167 392 P CA 1.488 64.455 63.100 -0.222 0.000 0.763 392 P CB 0.014 31.630 31.700 -0.140 0.000 0.835 393 R N -0.270 119.830 120.500 -0.667 0.000 2.092 393 R HA -0.045 4.293 4.340 -0.004 0.000 0.231 393 R C 1.324 177.469 176.300 -0.258 0.000 1.119 393 R CA 0.882 56.694 56.100 -0.479 0.000 0.970 393 R CB -1.742 28.169 30.300 -0.649 0.000 0.864 393 R HN 0.109 nan 8.270 nan 0.000 0.440 394 L N 1.155 122.243 121.223 -0.225 0.000 2.456 394 L HA 0.112 4.449 4.340 -0.004 0.000 0.272 394 L C 1.993 178.820 176.870 -0.072 0.000 1.189 394 L CA 0.824 55.634 54.840 -0.050 0.000 0.846 394 L CB 1.199 43.290 42.059 0.052 0.000 1.111 394 L HN 0.382 nan 8.230 nan 0.000 0.475 395 S N 3.601 119.270 115.700 -0.051 0.000 2.368 395 S HA -0.026 4.442 4.470 -0.004 0.000 0.224 395 S C 1.094 175.653 174.600 -0.068 0.000 1.029 395 S CA 0.789 58.960 58.200 -0.049 0.000 0.988 395 S CB 0.043 63.229 63.200 -0.023 0.000 0.838 395 S HN 0.579 nan 8.310 nan 0.000 0.462 396 R N 2.102 122.539 120.500 -0.105 0.000 2.608 396 R HA 0.293 4.631 4.340 -0.004 0.000 0.277 396 R C -0.629 175.585 176.300 -0.144 0.000 1.341 396 R CA 0.040 56.058 56.100 -0.136 0.000 1.199 396 R CB 0.291 30.444 30.300 -0.244 0.000 1.156 396 R HN 0.468 nan 8.270 nan 0.000 0.558 397 Q N -0.348 119.392 119.800 -0.101 0.000 2.421 397 Q HA 0.320 4.658 4.340 -0.004 0.000 0.280 397 Q C 0.653 176.608 176.000 -0.075 0.000 1.085 397 Q CA -0.392 55.355 55.803 -0.094 0.000 0.807 397 Q CB 2.334 31.022 28.738 -0.084 0.000 1.405 397 Q HN 0.688 nan 8.270 nan 0.000 0.419 398 G N 0.292 109.047 108.800 -0.074 0.000 2.157 398 G HA2 -0.199 3.758 3.960 -0.004 0.000 0.248 398 G HA3 -0.199 3.758 3.960 -0.004 0.000 0.248 398 G C 0.068 174.928 174.900 -0.066 0.000 0.979 398 G CA 0.296 45.357 45.100 -0.065 0.000 0.650 398 G HN 0.862 nan 8.290 nan 0.000 0.529 399 A N -0.771 122.004 122.820 -0.075 0.000 2.346 399 A HA 0.901 5.219 4.320 -0.004 0.000 0.313 399 A C -0.243 177.282 177.584 -0.097 0.000 1.140 399 A CA -0.763 51.231 52.037 -0.071 0.000 0.826 399 A CB 1.174 20.143 19.000 -0.051 0.000 1.332 399 A HN 0.697 nan 8.150 nan 0.000 0.457 400 I N 1.072 121.576 120.570 -0.109 0.000 2.339 400 I HA 0.383 4.551 4.170 -0.004 0.000 0.290 400 I C 0.252 176.237 176.117 -0.221 0.000 0.994 400 I CA -0.151 61.052 61.300 -0.162 0.000 1.191 400 I CB 1.812 39.711 38.000 -0.169 0.000 1.343 400 I HN 0.473 nan 8.210 nan 0.000 0.458 401 S N 4.275 119.879 115.700 -0.161 0.000 2.449 401 S HA 0.407 4.875 4.470 -0.004 0.000 0.310 401 S C 0.071 174.610 174.600 -0.100 0.000 1.096 401 S CA -0.573 57.584 58.200 -0.070 0.000 1.095 401 S CB 0.370 63.708 63.200 0.230 0.000 1.007 401 S HN 0.635 nan 8.310 nan 0.000 0.474 402 H N 2.503 121.674 119.070 0.169 0.000 2.505 402 H HA 0.453 5.007 4.556 -0.004 0.000 0.289 402 H C 0.848 176.255 175.328 0.131 0.000 1.052 402 H CA 0.099 56.239 56.048 0.154 0.000 1.156 402 H CB 0.232 30.067 29.762 0.122 0.000 1.507 402 H HN 0.623 nan 8.280 nan 0.000 0.548 403 A N 1.024 123.933 122.820 0.148 0.000 2.477 403 A HA 0.104 4.421 4.320 -0.004 0.000 0.246 403 A C -0.238 177.359 177.584 0.021 0.000 1.078 403 A CA -0.376 51.643 52.037 -0.030 0.000 0.770 403 A CB -0.484 18.266 19.000 -0.416 0.000 1.011 403 A HN 0.433 nan 8.150 nan 0.000 0.494 404 F N 2.521 122.459 119.950 -0.019 0.000 2.578 404 F HA 0.379 4.903 4.527 -0.005 0.000 0.376 404 F C 0.473 176.360 175.800 0.146 0.000 1.085 404 F CA 0.816 58.872 58.000 0.094 0.000 1.260 404 F CB 0.190 39.221 39.000 0.052 0.000 1.095 404 F HN 0.828 nan 8.300 nan 0.000 0.573 405 A N 3.744 126.277 122.820 -0.479 0.000 2.606 405 A HA 0.742 5.059 4.320 -0.004 0.000 0.293 405 A C -0.596 176.806 177.584 -0.303 0.000 1.082 405 A CA -0.080 51.888 52.037 -0.116 0.000 0.685 405 A CB 1.470 20.674 19.000 0.340 0.000 1.284 405 A HN 0.993 nan 8.150 nan 0.000 0.408 406 T N -2.465 112.083 114.554 -0.011 0.000 2.865 406 T HA 0.472 4.820 4.350 -0.004 0.000 0.294 406 T C 0.704 175.415 174.700 0.018 0.000 1.119 406 T CA 0.235 62.199 62.100 -0.227 0.000 1.007 406 T CB 0.997 69.752 68.868 -0.188 0.000 1.225 406 T HN 1.626 nan 8.240 nan 0.000 0.515 407 V N 1.397 121.200 119.914 -0.186 0.000 2.660 407 V HA -0.105 4.013 4.120 -0.004 0.000 0.257 407 V C 2.190 178.304 176.094 0.034 0.000 1.088 407 V CA 2.149 64.512 62.300 0.106 0.000 1.106 407 V CB -1.003 30.863 31.823 0.073 0.000 0.686 407 V HN 0.870 nan 8.190 nan 0.000 0.481 408 M N -0.769 118.813 119.600 -0.029 0.000 2.557 408 M HA -0.047 4.430 4.480 -0.004 0.000 0.259 408 M C 1.333 177.565 176.300 -0.114 0.000 1.086 408 M CA 1.110 56.366 55.300 -0.074 0.000 1.096 408 M CB -0.321 32.232 32.600 -0.079 0.000 1.424 408 M HN 0.309 nan 8.290 nan 0.000 0.488 409 D N -0.044 120.287 120.400 -0.115 0.000 2.347 409 D HA -0.038 4.600 4.640 -0.004 0.000 0.215 409 D C 2.055 177.959 176.300 -0.661 0.000 0.976 409 D CA 0.796 54.596 54.000 -0.333 0.000 0.884 409 D CB 0.064 40.691 40.800 -0.287 0.000 0.915 409 D HN 0.171 nan 8.370 nan 0.000 0.526 410 V N 0.669 120.278 119.914 -0.509 0.000 2.307 410 V HA -0.197 3.921 4.120 -0.004 0.000 0.245 410 V C 2.533 178.362 176.094 -0.442 0.000 1.045 410 V CA 1.657 63.638 62.300 -0.530 0.000 1.024 410 V CB -0.662 31.029 31.823 -0.220 0.000 0.651 410 V HN 0.188 nan 8.190 nan 0.000 0.449 411 T N 0.491 114.841 114.554 -0.341 0.000 2.674 411 T HA -0.097 4.250 4.350 -0.004 0.000 0.265 411 T C -0.081 174.412 174.700 -0.346 0.000 1.039 411 T CA 2.086 63.979 62.100 -0.345 0.000 1.150 411 T CB -1.113 67.589 68.868 -0.276 0.000 0.864 411 T HN 0.422 nan 8.240 nan 0.000 0.427 412 P HA -0.043 nan 4.420 nan 0.000 0.216 412 P C 1.539 178.673 177.300 -0.276 0.000 1.150 412 P CA 1.252 64.201 63.100 -0.252 0.000 0.837 412 P CB -0.283 31.288 31.700 -0.215 0.000 0.786 413 T N -0.153 114.177 114.554 -0.373 0.000 2.737 413 T HA -0.064 4.283 4.350 -0.004 0.000 0.265 413 T C 1.739 176.188 174.700 -0.418 0.000 1.038 413 T CA 1.088 62.976 62.100 -0.353 0.000 1.144 413 T CB -0.796 67.800 68.868 -0.453 0.000 0.866 413 T HN 0.066 nan 8.240 nan 0.000 0.434 414 L N 0.391 121.261 121.223 -0.589 0.000 2.109 414 L HA 0.045 4.382 4.340 -0.004 0.000 0.207 414 L C 2.496 179.024 176.870 -0.570 0.000 1.086 414 L CA 0.896 55.226 54.840 -0.850 0.000 0.760 414 L CB -0.722 40.579 42.059 -1.264 0.000 0.910 414 L HN 0.249 nan 8.230 nan 0.000 0.437 415 L N -0.157 120.807 121.223 -0.431 0.000 2.042 415 L HA -0.265 4.073 4.340 -0.004 0.000 0.210 415 L C 2.423 179.201 176.870 -0.153 0.000 1.076 415 L CA 1.332 56.005 54.840 -0.278 0.000 0.749 415 L CB -0.617 41.309 42.059 -0.220 0.000 0.893 415 L HN 0.308 nan 8.230 nan 0.000 0.432 416 D N 0.426 120.743 120.400 -0.139 0.000 2.092 416 D HA -0.185 4.453 4.640 -0.004 0.000 0.193 416 D C 2.321 178.615 176.300 -0.010 0.000 0.994 416 D CA 1.421 55.384 54.000 -0.060 0.000 0.828 416 D CB -0.069 40.699 40.800 -0.054 0.000 0.963 416 D HN 0.204 nan 8.370 nan 0.000 0.450 417 L N 0.107 121.322 121.223 -0.013 0.000 2.083 417 L HA -0.105 4.232 4.340 -0.004 0.000 0.209 417 L C 2.450 179.420 176.870 0.167 0.000 1.083 417 L CA 1.150 56.045 54.840 0.091 0.000 0.752 417 L CB -0.329 41.793 42.059 0.105 0.000 0.899 417 L HN 0.014 nan 8.230 nan 0.000 0.433 418 A N -0.419 122.516 122.820 0.192 0.000 2.167 418 A HA 0.160 4.477 4.320 -0.004 0.000 0.214 418 A C 1.758 179.421 177.584 0.131 0.000 1.151 418 A CA 0.789 52.955 52.037 0.215 0.000 0.735 418 A CB -0.630 18.409 19.000 0.064 0.000 0.802 418 A HN 0.524 nan 8.150 nan 0.000 0.467 419 G N -1.326 107.516 108.800 0.069 0.000 2.198 419 G HA2 -0.173 3.784 3.960 -0.004 0.000 0.260 419 G HA3 -0.173 3.784 3.960 -0.004 0.000 0.260 419 G C 0.011 174.927 174.900 0.026 0.000 1.025 419 G CA 0.333 45.461 45.100 0.047 0.000 0.769 419 G HN 0.860 nan 8.290 nan 0.000 0.507 420 V N 0.228 120.137 119.914 -0.008 0.000 2.370 420 V HA 0.822 4.939 4.120 -0.004 0.000 0.283 420 V C 0.939 177.003 176.094 -0.051 0.000 1.023 420 V CA -0.141 62.138 62.300 -0.035 0.000 0.857 420 V CB 1.103 32.875 31.823 -0.085 0.000 0.985 420 V HN 0.877 nan 8.190 nan 0.000 0.443 421 R N 2.750 123.231 120.500 -0.031 0.000 2.490 421 R HA 0.263 4.600 4.340 -0.004 0.000 0.280 421 R C 0.243 176.519 176.300 -0.040 0.000 1.077 421 R CA -0.433 55.655 56.100 -0.019 0.000 1.065 421 R CB 0.060 30.359 30.300 -0.001 0.000 1.003 421 R HN 0.924 nan 8.270 nan 0.000 0.470 422 H N 4.351 123.359 119.070 -0.103 0.000 2.928 422 H HA 0.041 4.595 4.556 -0.004 0.000 0.338 422 H C -1.207 174.076 175.328 -0.074 0.000 1.047 422 H CA -1.054 54.920 56.048 -0.124 0.000 1.435 422 H CB 1.646 31.329 29.762 -0.131 0.000 1.428 422 H HN 0.530 nan 8.280 nan 0.000 0.590 423 P HA 0.036 nan 4.420 nan 0.000 0.226 423 P C 0.741 178.046 177.300 0.009 0.000 1.153 423 P CA 1.226 64.247 63.100 -0.132 0.000 0.777 423 P CB 0.577 32.227 31.700 -0.083 0.000 0.794 424 G N 0.677 109.568 108.800 0.151 0.000 2.501 424 G HA2 -0.208 3.750 3.960 -0.004 0.000 0.213 424 G HA3 -0.208 3.750 3.960 -0.004 0.000 0.213 424 G C 0.427 175.419 174.900 0.152 0.000 1.158 424 G CA 0.009 45.206 45.100 0.162 0.000 1.079 424 G HN 0.146 nan 8.290 nan 0.000 0.586 425 K N 1.439 121.891 120.400 0.087 0.000 2.426 425 K HA 0.482 4.800 4.320 -0.004 0.000 0.193 425 K C 1.243 177.885 176.600 0.070 0.000 1.028 425 K CA 1.102 57.429 56.287 0.067 0.000 1.047 425 K CB 0.176 32.698 32.500 0.036 0.000 0.821 425 K HN 0.824 nan 8.250 nan 0.000 0.513 426 R N 0.547 121.096 120.500 0.083 0.000 2.673 426 R HA 0.495 4.832 4.340 -0.004 0.000 0.281 426 R C -2.337 174.072 176.300 0.181 0.000 0.991 426 R CA -0.751 55.405 56.100 0.094 0.000 0.896 426 R CB 0.536 30.864 30.300 0.047 0.000 1.201 426 R HN 0.301 nan 8.270 nan 0.000 0.457 427 W N 2.056 123.321 121.300 -0.059 0.000 3.624 427 W HA 0.510 5.168 4.660 -0.004 0.000 0.312 427 W C -0.035 176.449 176.519 -0.058 0.000 1.203 427 W CA -0.649 56.650 57.345 -0.077 0.000 1.225 427 W CB 1.481 30.873 29.460 -0.113 0.000 1.321 427 W HN 0.993 nan 8.180 nan 0.000 0.506 428 R N 4.080 124.192 120.500 -0.646 0.000 3.405 428 R HA -0.188 4.149 4.340 -0.004 0.000 0.258 428 R C 0.969 177.130 176.300 -0.232 0.000 1.030 428 R CA 1.600 57.348 56.100 -0.586 0.000 0.691 428 R CB -1.617 28.200 30.300 -0.806 0.000 1.093 428 R HN 1.537 nan 8.270 nan 0.000 0.448 429 G N -0.055 108.652 108.800 -0.154 0.000 2.143 429 G HA2 -0.376 3.581 3.960 -0.004 0.000 0.248 429 G HA3 -0.376 3.581 3.960 -0.004 0.000 0.248 429 G C 0.044 174.925 174.900 -0.031 0.000 0.991 429 G CA 0.637 45.687 45.100 -0.083 0.000 0.689 429 G HN 0.691 nan 8.290 nan 0.000 0.522 430 R N -1.107 119.396 120.500 0.005 0.000 2.836 430 R HA 0.734 5.071 4.340 -0.004 0.000 0.269 430 R C -0.999 175.336 176.300 0.059 0.000 1.010 430 R CA -0.322 55.799 56.100 0.035 0.000 0.930 430 R CB 1.106 31.436 30.300 0.051 0.000 1.218 430 R HN 0.240 nan 8.270 nan 0.000 0.473 431 E N 2.137 122.363 120.200 0.044 0.000 2.290 431 E HA 0.378 4.725 4.350 -0.004 0.000 0.277 431 E C -0.188 176.443 176.600 0.052 0.000 1.035 431 E CA -0.345 56.079 56.400 0.041 0.000 0.873 431 E CB 0.131 29.843 29.700 0.020 0.000 1.029 431 E HN 0.427 nan 8.360 nan 0.000 0.419 432 I N 0.657 121.263 120.570 0.059 0.000 2.934 432 I HA 0.902 5.069 4.170 -0.004 0.000 0.306 432 I C 0.070 176.211 176.117 0.040 0.000 1.110 432 I CA -1.379 59.953 61.300 0.054 0.000 1.019 432 I CB 2.117 40.161 38.000 0.075 0.000 1.227 432 I HN 0.618 nan 8.210 nan 0.000 0.434 433 A N 2.784 125.612 122.820 0.013 0.000 2.351 433 A HA 0.475 4.793 4.320 -0.004 0.000 0.257 433 A C -0.142 177.431 177.584 -0.020 0.000 1.087 433 A CA -0.286 51.740 52.037 -0.018 0.000 0.798 433 A CB 0.189 19.156 19.000 -0.056 0.000 1.033 433 A HN 0.829 nan 8.150 nan 0.000 0.488 434 E N 1.126 121.269 120.200 -0.095 0.000 2.214 434 E HA 0.402 4.750 4.350 -0.004 0.000 0.274 434 E C -2.516 173.907 176.600 -0.294 0.000 0.977 434 E CA -1.808 54.438 56.400 -0.256 0.000 0.827 434 E CB 0.731 30.319 29.700 -0.187 0.000 1.130 434 E HN 0.426 nan 8.360 nan 0.000 0.394 435 P HA 0.056 nan 4.420 nan 0.000 0.268 435 P C -0.077 177.116 177.300 -0.179 0.000 1.205 435 P CA 0.111 63.040 63.100 -0.285 0.000 0.771 435 P CB 0.638 32.145 31.700 -0.321 0.000 0.858 436 R N 1.424 121.846 120.500 -0.130 0.000 2.254 436 R HA 0.158 4.496 4.340 -0.004 0.000 0.195 436 R C 1.373 177.650 176.300 -0.039 0.000 0.957 436 R CA 0.105 56.157 56.100 -0.080 0.000 1.024 436 R CB 0.039 30.295 30.300 -0.074 0.000 0.952 436 R HN 0.553 nan 8.270 nan 0.000 0.484 437 G N 0.690 109.458 108.800 -0.054 0.000 2.621 437 G HA2 0.264 4.222 3.960 -0.004 0.000 0.271 437 G HA3 0.264 4.222 3.960 -0.004 0.000 0.271 437 G C -0.406 174.502 174.900 0.012 0.000 1.236 437 G CA -0.488 44.620 45.100 0.013 0.000 0.958 437 G HN 0.009 nan 8.290 nan 0.000 0.512 438 R N -0.444 120.091 120.500 0.058 0.000 2.686 438 R HA 0.440 4.778 4.340 -0.004 0.000 0.286 438 R C -0.128 176.135 176.300 -0.062 0.000 0.969 438 R CA -0.853 55.242 56.100 -0.008 0.000 0.898 438 R CB 1.417 31.700 30.300 -0.027 0.000 1.183 438 R HN 0.552 nan 8.270 nan 0.000 0.456 439 S N 1.235 116.903 115.700 -0.054 0.000 2.549 439 S HA 0.024 4.491 4.470 -0.004 0.000 0.286 439 S C 0.333 175.046 174.600 0.188 0.000 1.314 439 S CA -0.261 57.919 58.200 -0.034 0.000 1.062 439 S CB 0.209 63.400 63.200 -0.015 0.000 0.865 439 S HN 0.523 nan 8.310 nan 0.000 0.498 440 W N 4.502 125.895 121.300 0.155 0.000 3.180 440 W HA 0.164 4.821 4.660 -0.005 0.000 0.254 440 W C 1.503 178.164 176.519 0.237 0.000 1.318 440 W CA -0.542 56.994 57.345 0.318 0.000 1.608 440 W CB -0.936 28.759 29.460 0.392 0.000 1.124 440 W HN 0.602 nan 8.180 nan 0.000 0.694 441 L N -0.301 121.122 121.223 0.334 0.000 2.093 441 L HA -0.087 4.251 4.340 -0.004 0.000 0.208 441 L C 2.371 179.369 176.870 0.213 0.000 1.085 441 L CA 2.051 57.034 54.840 0.239 0.000 0.755 441 L CB -1.647 40.505 42.059 0.155 0.000 0.904 441 L HN 0.070 nan 8.230 nan 0.000 0.435 442 G N -0.844 108.085 108.800 0.215 0.000 2.442 442 G HA2 -0.326 3.631 3.960 -0.004 0.000 0.219 442 G HA3 -0.326 3.631 3.960 -0.004 0.000 0.219 442 G C 1.299 176.348 174.900 0.249 0.000 1.141 442 G CA 0.629 45.844 45.100 0.191 0.000 0.763 442 G HN 0.487 nan 8.290 nan 0.000 0.554 443 W N 1.371 122.734 121.300 0.104 0.000 2.378 443 W HA 0.061 4.719 4.660 -0.004 0.000 0.313 443 W C 2.142 178.709 176.519 0.081 0.000 1.197 443 W CA 1.135 58.528 57.345 0.080 0.000 1.304 443 W CB -0.698 28.802 29.460 0.066 0.000 1.148 443 W HN 0.124 nan 8.180 nan 0.000 0.494 444 L N 0.773 121.919 121.223 -0.127 0.000 2.291 444 L HA -0.096 4.242 4.340 -0.004 0.000 0.214 444 L C 2.215 179.032 176.870 -0.088 0.000 1.120 444 L CA 1.192 55.838 54.840 -0.323 0.000 0.799 444 L CB -0.840 41.091 42.059 -0.213 0.000 0.925 444 L HN -0.125 nan 8.230 nan 0.000 0.446 445 S N -0.267 115.449 115.700 0.027 0.000 2.603 445 S HA 0.125 4.593 4.470 -0.004 0.000 0.220 445 S C 1.569 176.192 174.600 0.039 0.000 0.967 445 S CA 0.714 58.940 58.200 0.043 0.000 0.920 445 S CB 0.290 63.536 63.200 0.076 0.000 0.773 445 S HN 0.652 nan 8.310 nan 0.000 0.529 446 G N 1.575 110.404 108.800 0.049 0.000 2.159 446 G HA2 -0.292 3.665 3.960 -0.004 0.000 0.256 446 G HA3 -0.292 3.665 3.960 -0.004 0.000 0.256 446 G C 0.593 175.549 174.900 0.093 0.000 0.977 446 G CA 0.517 45.659 45.100 0.069 0.000 0.652 446 G HN 0.545 nan 8.290 nan 0.000 0.531 447 E N -0.021 120.241 120.200 0.104 0.000 2.106 447 E HA 0.098 4.446 4.350 -0.004 0.000 0.192 447 E C 1.626 178.295 176.600 0.115 0.000 0.984 447 E CA 1.367 57.826 56.400 0.098 0.000 0.806 447 E CB 0.023 29.780 29.700 0.095 0.000 0.750 447 E HN 0.747 nan 8.360 nan 0.000 0.458 448 T N -2.358 112.292 114.554 0.161 0.000 2.916 448 T HA 0.258 4.606 4.350 -0.004 0.000 0.292 448 T C 0.579 175.414 174.700 0.224 0.000 1.064 448 T CA -0.928 61.269 62.100 0.161 0.000 1.011 448 T CB 1.878 70.833 68.868 0.145 0.000 1.152 448 T HN -0.216 nan 8.240 nan 0.000 0.510 449 E N 0.114 120.412 120.200 0.163 0.000 2.358 449 E HA 0.314 4.662 4.350 -0.004 0.000 0.195 449 E C 0.736 177.367 176.600 0.053 0.000 1.010 449 E CA 0.456 56.956 56.400 0.167 0.000 0.856 449 E CB 0.290 30.047 29.700 0.095 0.000 0.795 449 E HN 0.825 nan 8.360 nan 0.000 0.504 450 A N -0.475 122.280 122.820 -0.108 0.000 2.597 450 A HA 0.581 4.899 4.320 -0.004 0.000 0.292 450 A C -0.119 177.297 177.584 -0.280 0.000 1.057 450 A CA 0.007 51.706 52.037 -0.565 0.000 0.674 450 A CB 0.705 19.494 19.000 -0.351 0.000 1.278 450 A HN -0.024 nan 8.150 nan 0.000 0.416 451 A N 0.221 122.796 122.820 -0.409 0.000 2.208 451 A HA 0.426 4.743 4.320 -0.004 0.000 0.209 451 A C 0.786 178.116 177.584 -0.424 0.000 1.161 451 A CA 0.978 52.879 52.037 -0.226 0.000 0.782 451 A CB -0.299 18.657 19.000 -0.074 0.000 0.816 451 A HN 0.771 nan 8.150 nan 0.000 0.477 452 H N -1.151 117.935 119.070 0.026 0.000 2.960 452 H HA 0.516 5.070 4.556 -0.003 0.000 0.303 452 H C -1.214 174.141 175.328 0.046 0.000 1.412 452 H CA -0.200 55.904 56.048 0.092 0.000 1.227 452 H CB 1.537 31.442 29.762 0.238 0.000 1.912 452 H HN 0.458 nan 8.280 nan 0.000 0.583 453 D N -1.893 118.611 120.400 0.174 0.000 2.812 453 D HA 0.011 4.649 4.640 -0.004 0.000 0.318 453 D C 0.646 176.969 176.300 0.038 0.000 1.234 453 D CA -0.583 53.465 54.000 0.080 0.000 0.989 453 D CB 0.154 40.990 40.800 0.060 0.000 1.442 453 D HN 0.617 nan 8.370 nan 0.000 0.537 454 E N -0.663 119.553 120.200 0.026 0.000 2.409 454 E HA -0.120 4.228 4.350 -0.004 0.000 0.198 454 E C 0.137 176.742 176.600 0.007 0.000 1.024 454 E CA 0.653 57.063 56.400 0.016 0.000 0.861 454 E CB -0.388 29.337 29.700 0.042 0.000 0.788 454 E HN 0.270 nan 8.360 nan 0.000 0.521 455 N N 0.791 119.492 118.700 0.001 0.000 2.205 455 N HA 0.032 4.770 4.740 -0.004 0.000 0.201 455 N C -0.340 175.126 175.510 -0.072 0.000 1.128 455 N CA 0.199 53.236 53.050 -0.023 0.000 0.867 455 N CB 0.816 39.304 38.487 0.002 0.000 0.996 455 N HN 0.031 nan 8.380 nan 0.000 0.503 456 T N 1.218 115.737 114.554 -0.058 0.000 2.928 456 T HA 0.170 4.517 4.350 -0.004 0.000 0.305 456 T C 0.337 174.919 174.700 -0.198 0.000 1.035 456 T CA 0.211 62.262 62.100 -0.081 0.000 1.145 456 T CB 1.459 70.315 68.868 -0.019 0.000 0.963 456 T HN -0.238 nan 8.240 nan 0.000 0.545 457 V N 4.035 123.827 119.914 -0.203 0.000 2.487 457 V HA 0.537 4.655 4.120 -0.004 0.000 0.298 457 V C 0.060 176.032 176.094 -0.204 0.000 1.028 457 V CA -0.713 61.430 62.300 -0.261 0.000 0.860 457 V CB 2.101 33.700 31.823 -0.373 0.000 0.991 457 V HN 1.020 nan 8.190 nan 0.000 0.427 458 T N 3.146 117.561 114.554 -0.230 0.000 2.881 458 T HA 0.700 5.048 4.350 -0.004 0.000 0.290 458 T C 0.152 174.537 174.700 -0.524 0.000 1.000 458 T CA -0.508 61.370 62.100 -0.370 0.000 0.978 458 T CB 1.886 70.538 68.868 -0.359 0.000 0.997 458 T HN 0.926 nan 8.240 nan 0.000 0.443 459 G N 1.156 109.407 108.800 -0.915 0.000 2.454 459 G HA2 0.723 4.681 3.960 -0.004 0.000 0.329 459 G HA3 0.723 4.681 3.960 -0.004 0.000 0.329 459 G C -1.476 172.777 174.900 -1.079 0.000 1.177 459 G CA -0.737 43.598 45.100 -1.275 0.000 0.951 459 G HN 0.593 nan 8.290 nan 0.000 0.485 460 W N -0.002 121.178 121.300 -0.200 0.000 3.138 460 W HA 0.576 5.234 4.660 -0.003 0.000 0.331 460 W C -0.728 176.087 176.519 0.493 0.000 1.166 460 W CA -0.533 56.952 57.345 0.233 0.000 1.212 460 W CB 2.636 32.212 29.460 0.194 0.000 1.399 460 W HN 0.433 nan 8.180 nan 0.000 0.514 461 E N 2.554 123.264 120.200 0.850 0.000 2.347 461 E HA 0.525 4.873 4.350 -0.004 0.000 0.285 461 E C -2.436 174.521 176.600 0.594 0.000 0.925 461 E CA -0.622 56.198 56.400 0.701 0.000 0.779 461 E CB 2.643 32.759 29.700 0.694 0.000 1.233 461 E HN 0.459 nan 8.360 nan 0.000 0.414 462 L N 4.468 125.892 121.223 0.333 0.000 2.643 462 L HA 0.398 4.735 4.340 -0.004 0.000 0.257 462 L C -0.935 175.983 176.870 0.081 0.000 0.922 462 L CA -0.079 54.796 54.840 0.058 0.000 0.909 462 L CB 0.993 42.962 42.059 -0.149 0.000 1.424 462 L HN 0.603 nan 8.230 nan 0.000 0.422 463 F N 4.029 124.054 119.950 0.125 0.000 3.074 463 F HA -0.064 4.462 4.527 -0.002 0.000 0.289 463 F C 1.523 177.361 175.800 0.063 0.000 0.863 463 F CA 1.667 59.702 58.000 0.057 0.000 1.121 463 F CB -1.879 37.108 39.000 -0.023 0.000 1.169 463 F HN 0.954 nan 8.300 nan 0.000 0.570 464 G N -1.025 107.918 108.800 0.238 0.000 2.189 464 G HA2 -0.362 3.595 3.960 -0.004 0.000 0.267 464 G HA3 -0.362 3.595 3.960 -0.004 0.000 0.267 464 G C 0.405 175.408 174.900 0.172 0.000 0.975 464 G CA 0.498 45.708 45.100 0.183 0.000 0.644 464 G HN 0.485 nan 8.290 nan 0.000 0.537 465 M N -0.083 119.624 119.600 0.179 0.000 2.314 465 M HA 0.623 5.100 4.480 -0.004 0.000 0.342 465 M C 0.686 177.074 176.300 0.147 0.000 1.171 465 M CA -0.205 55.183 55.300 0.146 0.000 1.098 465 M CB 1.322 33.987 32.600 0.108 0.000 1.559 465 M HN 0.201 nan 8.290 nan 0.000 0.459 466 R N 1.015 121.538 120.500 0.039 0.000 2.854 466 R HA 0.932 5.270 4.340 -0.004 0.000 0.271 466 R C -1.375 174.994 176.300 0.114 0.000 0.994 466 R CA -1.010 55.084 56.100 -0.011 0.000 0.945 466 R CB 2.111 32.000 30.300 -0.686 0.000 1.194 466 R HN 0.802 nan 8.270 nan 0.000 0.476 467 A N 1.355 124.378 122.820 0.338 0.000 2.594 467 A HA 0.741 5.058 4.320 -0.004 0.000 0.295 467 A C -1.764 176.147 177.584 0.546 0.000 1.071 467 A CA -0.575 51.711 52.037 0.414 0.000 0.685 467 A CB 1.740 20.873 19.000 0.222 0.000 1.285 467 A HN 0.560 nan 8.150 nan 0.000 0.405 468 I N 0.427 121.252 120.570 0.425 0.000 2.607 468 I HA 0.678 4.846 4.170 -0.004 0.000 0.290 468 I C -0.548 175.701 176.117 0.220 0.000 1.129 468 I CA -0.243 61.244 61.300 0.313 0.000 1.042 468 I CB 1.841 39.993 38.000 0.253 0.000 1.242 468 I HN 0.758 nan 8.210 nan 0.000 0.421 469 R N 5.630 126.239 120.500 0.183 0.000 2.621 469 R HA 0.616 4.954 4.340 -0.004 0.000 0.292 469 R C -1.524 174.733 176.300 -0.071 0.000 0.969 469 R CA -0.616 55.528 56.100 0.073 0.000 0.887 469 R CB 1.542 31.877 30.300 0.060 0.000 1.180 469 R HN 0.738 nan 8.270 nan 0.000 0.450 470 Q N 3.315 123.086 119.800 -0.048 0.000 2.290 470 Q HA 0.380 4.718 4.340 -0.004 0.000 0.269 470 Q C 0.042 176.016 176.000 -0.044 0.000 1.016 470 Q CA 0.235 55.977 55.803 -0.102 0.000 0.754 470 Q CB 1.757 30.447 28.738 -0.080 0.000 1.247 470 Q HN 0.933 nan 8.270 nan 0.000 0.451 471 G N 3.912 112.615 108.800 -0.162 0.000 2.596 471 G HA2 -0.342 3.615 3.960 -0.004 0.000 0.304 471 G HA3 -0.342 3.615 3.960 -0.004 0.000 0.304 471 G C 0.075 174.857 174.900 -0.196 0.000 1.189 471 G CA 0.530 45.547 45.100 -0.139 0.000 0.986 471 G HN 0.784 nan 8.290 nan 0.000 0.548 472 D N 0.418 120.741 120.400 -0.128 0.000 2.363 472 D HA 0.186 4.824 4.640 -0.004 0.000 0.214 472 D C 0.120 176.277 176.300 -0.239 0.000 1.093 472 D CA 0.031 53.911 54.000 -0.200 0.000 0.837 472 D CB 0.110 40.760 40.800 -0.250 0.000 0.948 472 D HN 0.373 nan 8.370 nan 0.000 0.507 473 W N 2.039 123.304 121.300 -0.058 0.000 2.338 473 W HA 0.327 4.984 4.660 -0.005 0.000 0.307 473 W C 0.690 177.197 176.519 -0.020 0.000 1.167 473 W CA -0.711 56.620 57.345 -0.025 0.000 1.208 473 W CB 1.307 30.750 29.460 -0.028 0.000 1.228 473 W HN -0.412 nan 8.180 nan 0.000 0.499 474 K N 2.595 123.156 120.400 0.269 0.000 2.507 474 K HA 0.736 5.054 4.320 -0.004 0.000 0.251 474 K C -0.979 175.771 176.600 0.251 0.000 0.943 474 K CA -0.661 55.748 56.287 0.204 0.000 0.794 474 K CB 1.271 33.852 32.500 0.134 0.000 1.188 474 K HN 0.522 nan 8.250 nan 0.000 0.428 475 A N 3.097 126.040 122.820 0.204 0.000 2.312 475 A HA 0.683 5.001 4.320 -0.004 0.000 0.326 475 A C -1.000 176.857 177.584 0.456 0.000 1.172 475 A CA -0.619 51.572 52.037 0.256 0.000 0.821 475 A CB 1.312 20.326 19.000 0.025 0.000 1.166 475 A HN 0.412 nan 8.150 nan 0.000 0.493 476 V N 1.604 121.823 119.914 0.509 0.000 2.656 476 V HA 0.414 4.532 4.120 -0.004 0.000 0.307 476 V C -1.392 174.812 176.094 0.184 0.000 1.051 476 V CA -0.419 62.094 62.300 0.355 0.000 0.893 476 V CB 1.720 33.717 31.823 0.290 0.000 0.999 476 V HN 0.818 nan 8.190 nan 0.000 0.426 477 Y N 5.223 125.346 120.300 -0.295 0.000 2.332 477 Y HA 0.699 5.249 4.550 -0.000 0.000 0.326 477 Y C -1.019 174.714 175.900 -0.278 0.000 0.978 477 Y CA -0.758 57.007 58.100 -0.558 0.000 1.205 477 Y CB 1.348 39.027 38.460 -1.302 0.000 1.131 477 Y HN 0.522 nan 8.280 nan 0.000 0.462 478 L N 9.348 130.376 121.223 -0.326 0.000 2.319 478 L HA 0.548 4.885 4.340 -0.004 0.000 0.281 478 L C -2.506 174.195 176.870 -0.282 0.000 1.005 478 L CA -2.001 52.748 54.840 -0.150 0.000 0.828 478 L CB 1.653 43.704 42.059 -0.014 0.000 1.227 478 L HN 0.482 nan 8.230 nan 0.000 0.415 479 P HA 0.244 nan 4.420 nan 0.000 0.277 479 P C -0.559 176.702 177.300 -0.064 0.000 1.271 479 P CA -0.500 62.529 63.100 -0.120 0.000 0.795 479 P CB 0.694 32.434 31.700 0.068 0.000 1.101 480 A N 1.520 124.310 122.820 -0.049 0.000 2.386 480 A HA 0.382 4.699 4.320 -0.004 0.000 0.248 480 A C -1.450 176.133 177.584 -0.003 0.000 1.082 480 A CA -0.577 51.443 52.037 -0.028 0.000 0.789 480 A CB -1.125 17.861 19.000 -0.025 0.000 1.025 480 A HN 0.518 nan 8.150 nan 0.000 0.490 481 P HA 0.265 nan 4.420 nan 0.000 0.259 481 P C 0.697 178.009 177.300 0.020 0.000 1.530 481 P CA 0.552 63.652 63.100 0.001 0.000 1.022 481 P CB 0.050 31.748 31.700 -0.002 0.000 1.514 482 V N -0.563 119.379 119.914 0.047 0.000 2.871 482 V HA 0.342 4.460 4.120 -0.004 0.000 0.256 482 V C 1.162 177.291 176.094 0.058 0.000 1.082 482 V CA 1.710 64.080 62.300 0.116 0.000 1.105 482 V CB -0.371 31.600 31.823 0.247 0.000 0.713 482 V HN 0.336 nan 8.190 nan 0.000 0.473 483 G N -1.689 107.106 108.800 -0.009 0.000 2.634 483 G HA2 0.498 4.455 3.960 -0.004 0.000 0.309 483 G HA3 0.498 4.455 3.960 -0.004 0.000 0.309 483 G C -2.598 172.239 174.900 -0.104 0.000 1.299 483 G CA 0.512 45.578 45.100 -0.056 0.000 0.798 483 G HN -0.076 nan 8.290 nan 0.000 0.490 484 P HA 0.202 nan 4.420 nan 0.000 0.249 484 P C 0.926 178.086 177.300 -0.233 0.000 1.229 484 P CA 1.249 64.265 63.100 -0.140 0.000 0.788 484 P CB 0.696 32.336 31.700 -0.101 0.000 1.072 485 A N -1.380 121.186 122.820 -0.424 0.000 2.872 485 A HA -0.142 4.176 4.320 -0.004 0.000 0.273 485 A C 0.428 177.667 177.584 -0.576 0.000 1.442 485 A CA 1.437 53.107 52.037 -0.612 0.000 0.801 485 A CB -2.731 16.130 19.000 -0.232 0.000 1.031 485 A HN 0.416 nan 8.150 nan 0.000 0.582 486 T N -2.197 112.009 114.554 -0.580 0.000 2.883 486 T HA 0.528 4.876 4.350 -0.004 0.000 0.301 486 T C -0.775 173.807 174.700 -0.196 0.000 1.158 486 T CA -0.406 61.545 62.100 -0.249 0.000 1.007 486 T CB 0.658 69.488 68.868 -0.064 0.000 1.186 486 T HN 0.615 nan 8.240 nan 0.000 0.499 487 W N 2.879 124.212 121.300 0.054 0.000 2.303 487 W HA 0.399 5.058 4.660 -0.000 0.000 0.318 487 W C 0.737 177.232 176.519 -0.040 0.000 1.362 487 W CA -0.347 57.023 57.345 0.041 0.000 1.234 487 W CB 0.432 29.910 29.460 0.030 0.000 1.248 487 W HN 0.487 nan 8.180 nan 0.000 0.546 488 Q N 2.691 122.622 119.800 0.218 0.000 2.266 488 Q HA 0.606 4.944 4.340 -0.004 0.000 0.261 488 Q C -1.235 174.668 176.000 -0.161 0.000 0.985 488 Q CA -1.326 54.475 55.803 -0.003 0.000 0.873 488 Q CB 2.244 31.009 28.738 0.044 0.000 1.306 488 Q HN 0.342 nan 8.270 nan 0.000 0.447 489 L N 2.334 123.282 121.223 -0.457 0.000 2.356 489 L HA 0.503 4.841 4.340 -0.004 0.000 0.277 489 L C -1.974 174.541 176.870 -0.591 0.000 0.996 489 L CA -0.372 54.270 54.840 -0.331 0.000 0.822 489 L CB 1.029 43.031 42.059 -0.094 0.000 1.256 489 L HN 0.493 nan 8.230 nan 0.000 0.413 490 Y N 2.257 122.686 120.300 0.215 0.000 2.425 490 Y HA 0.431 4.977 4.550 -0.006 0.000 0.344 490 Y C -0.459 175.483 175.900 0.069 0.000 0.969 490 Y CA -1.046 57.139 58.100 0.142 0.000 1.052 490 Y CB 1.643 40.144 38.460 0.067 0.000 1.215 490 Y HN 0.537 nan 8.280 nan 0.000 0.451 491 D N 3.187 123.586 120.400 -0.001 0.000 2.428 491 D HA 0.196 4.834 4.640 -0.004 0.000 0.221 491 D C 0.474 176.627 176.300 -0.245 0.000 1.123 491 D CA 0.052 53.741 54.000 -0.517 0.000 0.869 491 D CB 0.736 41.005 40.800 -0.884 0.000 1.032 491 D HN 0.669 nan 8.370 nan 0.000 0.506 492 L N 2.765 123.868 121.223 -0.200 0.000 2.275 492 L HA -0.072 4.266 4.340 -0.004 0.000 0.215 492 L C 2.256 179.052 176.870 -0.123 0.000 1.119 492 L CA 0.838 55.616 54.840 -0.103 0.000 0.790 492 L CB -0.227 41.793 42.059 -0.065 0.000 0.919 492 L HN 0.424 nan 8.230 nan 0.000 0.443 493 A N -0.179 122.520 122.820 -0.201 0.000 2.014 493 A HA -0.111 4.206 4.320 -0.004 0.000 0.218 493 A C 2.489 180.000 177.584 -0.121 0.000 1.163 493 A CA 1.144 53.089 52.037 -0.153 0.000 0.652 493 A CB -0.228 18.665 19.000 -0.179 0.000 0.808 493 A HN 0.295 nan 8.150 nan 0.000 0.449 494 R N -1.392 119.029 120.500 -0.131 0.000 2.307 494 R HA 0.135 4.473 4.340 -0.004 0.000 0.200 494 R C -0.291 175.993 176.300 -0.025 0.000 0.893 494 R CA 0.644 56.697 56.100 -0.079 0.000 1.042 494 R CB -0.113 30.132 30.300 -0.091 0.000 1.059 494 R HN 0.675 nan 8.270 nan 0.000 0.530 495 D N -0.332 120.061 120.400 -0.012 0.000 2.621 495 D HA 0.327 4.965 4.640 -0.004 0.000 0.274 495 D C -2.277 174.024 176.300 0.002 0.000 1.215 495 D CA -2.071 51.961 54.000 0.052 0.000 0.810 495 D CB 1.368 42.267 40.800 0.166 0.000 1.248 495 D HN -0.041 nan 8.370 nan 0.000 0.517 496 P HA 0.053 nan 4.420 nan 0.000 0.222 496 P C 1.386 178.644 177.300 -0.071 0.000 1.147 496 P CA 0.682 63.755 63.100 -0.043 0.000 0.790 496 P CB 0.301 31.981 31.700 -0.034 0.000 0.780 497 G N -0.457 108.312 108.800 -0.053 0.000 2.920 497 G HA2 -0.093 3.864 3.960 -0.004 0.000 0.208 497 G HA3 -0.093 3.864 3.960 -0.004 0.000 0.208 497 G C 0.162 174.986 174.900 -0.126 0.000 1.159 497 G CA -0.159 44.910 45.100 -0.052 0.000 0.784 497 G HN 0.224 nan 8.290 nan 0.000 0.535 498 E N -1.091 118.940 120.200 -0.280 0.000 2.297 498 E HA -0.197 4.150 4.350 -0.004 0.000 0.228 498 E C 0.978 177.242 176.600 -0.560 0.000 1.213 498 E CA 0.059 55.969 56.400 -0.816 0.000 0.712 498 E CB -1.251 27.837 29.700 -1.020 0.000 1.202 498 E HN 0.579 nan 8.360 nan 0.000 0.376 499 I N -0.249 120.214 120.570 -0.179 0.000 2.810 499 I HA -0.033 4.135 4.170 -0.004 0.000 0.262 499 I C 0.981 177.059 176.117 -0.065 0.000 1.131 499 I CA 0.299 61.490 61.300 -0.183 0.000 1.453 499 I CB 0.158 37.874 38.000 -0.473 0.000 1.161 499 I HN 0.219 nan 8.210 nan 0.000 0.444 500 H N 2.005 121.253 119.070 0.297 0.000 2.685 500 H HA 0.185 4.740 4.556 -0.002 0.000 0.286 500 H C -0.884 174.588 175.328 0.240 0.000 1.102 500 H CA -0.658 55.527 56.048 0.229 0.000 1.254 500 H CB 0.386 30.228 29.762 0.133 0.000 1.397 500 H HN 0.045 nan 8.280 nan 0.000 0.473 501 D N 3.770 124.301 120.400 0.217 0.000 2.401 501 D HA -0.004 4.634 4.640 -0.004 0.000 0.254 501 D C 0.684 176.968 176.300 -0.026 0.000 1.192 501 D CA -0.093 53.856 54.000 -0.086 0.000 0.885 501 D CB 0.752 41.529 40.800 -0.038 0.000 1.147 501 D HN 0.506 nan 8.370 nan 0.000 0.478 502 L N 3.340 124.518 121.223 -0.075 0.000 2.700 502 L HA 0.245 4.583 4.340 -0.004 0.000 0.234 502 L C 2.069 178.925 176.870 -0.024 0.000 1.156 502 L CA -0.227 54.622 54.840 0.016 0.000 0.946 502 L CB 0.024 42.162 42.059 0.132 0.000 1.216 502 L HN 0.429 nan 8.230 nan 0.000 0.493 503 A N 0.220 123.005 122.820 -0.058 0.000 1.978 503 A HA -0.217 4.101 4.320 -0.004 0.000 0.220 503 A C 1.803 179.368 177.584 -0.031 0.000 1.170 503 A CA 1.985 53.994 52.037 -0.047 0.000 0.636 503 A CB -0.201 18.785 19.000 -0.023 0.000 0.810 503 A HN 0.308 nan 8.150 nan 0.000 0.448 504 D N -1.074 119.316 120.400 -0.016 0.000 2.271 504 D HA -0.014 4.623 4.640 -0.004 0.000 0.206 504 D C 2.336 178.628 176.300 -0.013 0.000 0.967 504 D CA 1.297 55.291 54.000 -0.011 0.000 0.867 504 D CB 0.090 40.890 40.800 0.000 0.000 0.960 504 D HN 0.540 nan 8.370 nan 0.000 0.509 505 S N -0.796 114.900 115.700 -0.007 0.000 2.478 505 S HA 0.037 4.505 4.470 -0.004 0.000 0.222 505 S C 0.965 175.552 174.600 -0.022 0.000 1.008 505 S CA 0.145 58.343 58.200 -0.004 0.000 0.928 505 S CB 0.204 63.414 63.200 0.017 0.000 0.781 505 S HN 0.012 nan 8.310 nan 0.000 0.518 506 Q N 1.182 120.955 119.800 -0.045 0.000 2.656 506 Q HA 0.292 4.630 4.340 -0.004 0.000 0.389 506 Q C -2.232 173.686 176.000 -0.136 0.000 0.883 506 Q CA -1.536 54.203 55.803 -0.106 0.000 1.056 506 Q CB 1.205 29.844 28.738 -0.165 0.000 1.391 506 Q HN 0.403 nan 8.270 nan 0.000 0.399 507 P HA -0.132 nan 4.420 nan 0.000 0.220 507 P C 1.333 178.554 177.300 -0.131 0.000 1.148 507 P CA 1.151 64.192 63.100 -0.099 0.000 0.803 507 P CB 0.216 31.877 31.700 -0.065 0.000 0.782 508 G N 1.042 109.758 108.800 -0.141 0.000 2.459 508 G HA2 -0.284 3.674 3.960 -0.004 0.000 0.217 508 G HA3 -0.284 3.674 3.960 -0.004 0.000 0.217 508 G C 1.781 176.552 174.900 -0.216 0.000 1.183 508 G CA 1.294 46.301 45.100 -0.156 0.000 0.776 508 G HN 0.249 nan 8.290 nan 0.000 0.552 509 K N 0.170 120.392 120.400 -0.297 0.000 2.057 509 K HA -0.010 4.308 4.320 -0.004 0.000 0.207 509 K C 2.312 178.712 176.600 -0.333 0.000 1.049 509 K CA 1.033 57.066 56.287 -0.423 0.000 0.931 509 K CB -0.729 31.312 32.500 -0.765 0.000 0.714 509 K HN 0.231 nan 8.250 nan 0.000 0.440 510 L N 0.476 121.536 121.223 -0.271 0.000 2.079 510 L HA -0.007 4.330 4.340 -0.004 0.000 0.210 510 L C 2.078 178.797 176.870 -0.252 0.000 1.081 510 L CA 2.251 56.949 54.840 -0.237 0.000 0.752 510 L CB -1.080 40.876 42.059 -0.172 0.000 0.896 510 L HN 0.247 nan 8.230 nan 0.000 0.433 511 A N -1.088 121.608 122.820 -0.205 0.000 1.969 511 A HA -0.167 4.151 4.320 -0.004 0.000 0.218 511 A C 2.136 179.595 177.584 -0.208 0.000 1.169 511 A CA 1.398 53.324 52.037 -0.186 0.000 0.635 511 A CB -0.530 18.388 19.000 -0.136 0.000 0.810 511 A HN 0.595 nan 8.150 nan 0.000 0.445 512 E N -0.081 119.987 120.200 -0.219 0.000 2.058 512 E HA -0.180 4.167 4.350 -0.004 0.000 0.194 512 E C 1.859 178.301 176.600 -0.264 0.000 0.997 512 E CA 1.279 57.530 56.400 -0.249 0.000 0.801 512 E CB -0.283 29.294 29.700 -0.204 0.000 0.746 512 E HN 0.618 nan 8.360 nan 0.000 0.450 513 L N 0.498 121.608 121.223 -0.187 0.000 2.156 513 L HA -0.127 4.211 4.340 -0.004 0.000 0.208 513 L C 2.370 179.116 176.870 -0.206 0.000 1.095 513 L CA 0.597 55.370 54.840 -0.111 0.000 0.770 513 L CB -0.254 41.713 42.059 -0.153 0.000 0.914 513 L HN 0.172 nan 8.230 nan 0.000 0.439 514 I N -0.473 119.894 120.570 -0.339 0.000 2.361 514 I HA -0.229 3.939 4.170 -0.004 0.000 0.251 514 I C 2.497 178.582 176.117 -0.053 0.000 1.133 514 I CA 0.862 61.988 61.300 -0.291 0.000 1.413 514 I CB -0.174 37.619 38.000 -0.344 0.000 1.073 514 I HN 0.223 nan 8.210 nan 0.000 0.424 515 E N 0.100 120.216 120.200 -0.141 0.000 2.072 515 E HA -0.194 4.153 4.350 -0.004 0.000 0.191 515 E C 2.166 178.713 176.600 -0.088 0.000 0.985 515 E CA 1.219 57.536 56.400 -0.138 0.000 0.801 515 E CB -0.526 29.034 29.700 -0.233 0.000 0.750 515 E HN 0.535 nan 8.360 nan 0.000 0.452 516 H N -0.254 118.813 119.070 -0.005 0.000 2.387 516 H HA -0.162 4.392 4.556 -0.004 0.000 0.299 516 H C 1.899 177.281 175.328 0.090 0.000 1.099 516 H CA 1.250 57.310 56.048 0.019 0.000 1.315 516 H CB -0.582 29.181 29.762 0.002 0.000 1.380 516 H HN 0.413 nan 8.280 nan 0.000 0.513 517 W N 2.567 123.903 121.300 0.060 0.000 2.335 517 W HA -0.208 4.452 4.660 -0.001 0.000 0.311 517 W C 1.719 178.324 176.519 0.143 0.000 1.213 517 W CA 1.324 58.734 57.345 0.108 0.000 1.274 517 W CB -0.097 29.381 29.460 0.031 0.000 1.148 517 W HN 0.127 nan 8.180 nan 0.000 0.498 518 K N 0.135 120.520 120.400 -0.026 0.000 2.097 518 K HA -0.244 4.074 4.320 -0.004 0.000 0.206 518 K C 2.253 178.738 176.600 -0.193 0.000 1.049 518 K CA 1.898 58.076 56.287 -0.180 0.000 0.933 518 K CB -0.420 32.060 32.500 -0.034 0.000 0.717 518 K HN 0.070 nan 8.250 nan 0.000 0.442 519 R N 0.178 120.630 120.500 -0.080 0.000 2.075 519 R HA -0.192 4.146 4.340 -0.004 0.000 0.232 519 R C 2.278 178.514 176.300 -0.106 0.000 1.126 519 R CA 1.289 57.347 56.100 -0.069 0.000 0.963 519 R CB -0.410 29.896 30.300 0.011 0.000 0.858 519 R HN 0.226 nan 8.270 nan 0.000 0.435 520 Y N 0.504 120.670 120.300 -0.223 0.000 2.128 520 Y HA -0.241 4.307 4.550 -0.004 0.000 0.284 520 Y C 1.896 177.542 175.900 -0.424 0.000 1.154 520 Y CA 1.881 59.808 58.100 -0.288 0.000 1.149 520 Y CB -0.504 37.806 38.460 -0.250 0.000 0.976 520 Y HN -0.107 nan 8.280 nan 0.000 0.505 521 V N -0.581 118.904 119.914 -0.714 0.000 2.287 521 V HA -0.318 3.799 4.120 -0.004 0.000 0.248 521 V C 2.696 178.477 176.094 -0.521 0.000 1.053 521 V CA 2.230 64.057 62.300 -0.789 0.000 1.027 521 V CB -1.106 30.261 31.823 -0.760 0.000 0.646 521 V HN 0.562 nan 8.190 nan 0.000 0.447 522 S N -0.700 114.781 115.700 -0.366 0.000 2.368 522 S HA -0.197 4.270 4.470 -0.004 0.000 0.224 522 S C 1.920 176.374 174.600 -0.243 0.000 1.029 522 S CA 1.717 59.766 58.200 -0.252 0.000 0.988 522 S CB -0.233 62.863 63.200 -0.175 0.000 0.838 522 S HN 0.730 nan 8.310 nan 0.000 0.462 523 E N -0.026 120.020 120.200 -0.257 0.000 2.208 523 E HA -0.060 4.287 4.350 -0.004 0.000 0.193 523 E C 1.788 178.230 176.600 -0.265 0.000 0.988 523 E CA 1.470 57.742 56.400 -0.213 0.000 0.828 523 E CB -0.062 29.542 29.700 -0.161 0.000 0.763 523 E HN 0.796 nan 8.360 nan 0.000 0.478 524 T N -3.749 110.554 114.554 -0.418 0.000 3.054 524 T HA 0.317 4.664 4.350 -0.004 0.000 0.255 524 T C 1.370 175.877 174.700 -0.322 0.000 1.035 524 T CA 0.218 62.074 62.100 -0.408 0.000 0.941 524 T CB 0.933 69.420 68.868 -0.635 0.000 1.026 524 T HN 0.198 nan 8.240 nan 0.000 0.533 525 G N 1.320 109.933 108.800 -0.312 0.000 2.149 525 G HA2 -0.214 3.744 3.960 -0.004 0.000 0.235 525 G HA3 -0.214 3.744 3.960 -0.004 0.000 0.235 525 G C 0.016 174.830 174.900 -0.143 0.000 1.018 525 G CA -0.152 44.841 45.100 -0.179 0.000 0.728 525 G HN 0.676 nan 8.290 nan 0.000 0.508 526 V N 0.315 119.994 119.914 -0.391 0.000 2.599 526 V HA 0.300 4.417 4.120 -0.004 0.000 0.300 526 V C 1.393 177.396 176.094 -0.153 0.000 1.034 526 V CA 0.205 62.283 62.300 -0.370 0.000 1.115 526 V CB 1.257 32.696 31.823 -0.640 0.000 0.934 526 V HN 0.304 nan 8.190 nan 0.000 0.485 527 V N 0.000 119.897 119.914 -0.028 0.000 2.409 527 V HA 0.000 4.118 4.120 -0.004 0.000 0.244 527 V CA 0.000 62.227 62.300 -0.121 0.000 1.235 527 V CB 0.000 31.616 31.823 -0.345 0.000 1.184 527 V HN 0.000 nan 8.190 nan 0.000 0.556