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 1nfk_1_B DATA FIRST_RESID 39 DATA SEQUENCE GPYLQILEQP KQRGFRFRYV CEGPSHGGLP GASSEKNKKS YPQVKICNYV DATA SEQUENCE GPAKVIVQLV TNGKNIHLHA HSLVGKHcED GVcTVTAGPK DMVVGFANLG DATA SEQUENCE ILHVTKKKVF ETLEARMTEA CIRGYNPGLL VHSDLAYLQA EGGGDRQLTD DATA SEQUENCE REKEIIRQAA VQQTKEMDLS VVRLMFTAFL PDSTGSFTRR LEPVVSDAIY DATA SEQUENCE DSKAPNASNL KIVRMDRTAG CVTGGEEIYL LCDKVQKDDI QIRFYEEEEN DATA SEQUENCE GGVWEGFGDF SPTDVHRQFA IVFKTPKYKD VNITKPASVF VQLRRKSDLE DATA SEQUENCE TSEPKPFLYY PE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 G HA2 0.000 nan 3.960 nan 0.000 0.244 39 G HA3 0.000 3.956 3.960 -0.007 0.000 0.244 39 G C 0.000 174.511 174.900 -0.648 0.000 0.946 39 G CA 0.000 44.852 45.100 -0.414 0.000 0.502 40 P HA -0.005 nan 4.420 nan 0.000 0.266 40 P C -1.913 175.264 177.300 -0.205 0.000 1.195 40 P CA 0.314 63.286 63.100 -0.213 0.000 0.768 40 P CB 0.368 32.029 31.700 -0.066 0.000 0.838 41 Y N 0.560 120.852 120.300 -0.013 0.000 2.524 41 Y HA 0.197 nan 4.550 nan 0.000 0.347 41 Y C -1.217 174.662 175.900 -0.036 0.000 1.005 41 Y CA -2.529 55.558 58.100 -0.022 0.000 1.025 41 Y CB 3.761 42.211 38.460 -0.017 0.000 1.275 41 Y HN 0.474 8.766 8.280 0.019 0.000 0.460 42 L N 1.358 122.666 121.223 0.141 0.000 2.309 42 L HA 0.633 nan 4.340 nan 0.000 0.282 42 L C -1.570 175.308 176.870 0.013 0.000 1.036 42 L CA -1.412 53.453 54.840 0.042 0.000 0.806 42 L CB 1.431 43.508 42.059 0.030 0.000 1.220 42 L HN 0.329 8.647 8.230 0.147 0.000 0.429 43 Q N 5.887 125.671 119.800 -0.027 0.000 2.294 43 Q HA 0.259 nan 4.340 nan 0.000 0.264 43 Q C -1.507 174.431 176.000 -0.104 0.000 0.992 43 Q CA -1.645 54.129 55.803 -0.048 0.000 0.747 43 Q CB 3.426 32.152 28.738 -0.019 0.000 1.262 43 Q HN 0.869 9.017 8.270 -0.047 0.095 0.452 44 I N 7.074 127.572 120.570 -0.119 0.000 2.494 44 I HA -0.200 nan 4.170 nan 0.000 0.289 44 I C -0.304 175.746 176.117 -0.111 0.000 1.106 44 I CA 1.362 62.555 61.300 -0.179 0.000 1.369 44 I CB -0.669 37.257 38.000 -0.123 0.000 1.410 44 I HN 0.545 8.708 8.210 -0.079 0.000 0.523 45 L N 7.545 128.696 121.223 -0.119 0.000 1.995 45 L HA -0.111 nan 4.340 nan 0.000 0.206 45 L C 0.344 177.179 176.870 -0.059 0.000 1.098 45 L CA 1.844 56.639 54.840 -0.076 0.000 0.762 45 L CB 0.498 42.512 42.059 -0.075 0.000 0.900 45 L HN 0.397 8.421 8.230 -0.160 0.110 0.441 46 E N -2.001 118.164 120.200 -0.058 0.000 2.105 46 E HA -0.037 nan 4.350 nan 0.000 0.285 46 E C -0.858 175.732 176.600 -0.016 0.000 1.055 46 E CA -1.207 55.175 56.400 -0.030 0.000 0.843 46 E CB 0.364 30.055 29.700 -0.015 0.000 1.067 46 E HN -0.524 7.791 8.360 -0.075 0.000 0.398 47 Q N 5.536 125.335 119.800 -0.002 0.000 2.396 47 Q HA 0.271 nan 4.340 nan 0.000 0.221 47 Q C -1.497 174.519 176.000 0.028 0.000 1.025 47 Q CA -1.498 54.320 55.803 0.025 0.000 0.946 47 Q CB -0.292 28.459 28.738 0.021 0.000 1.224 47 Q HN 0.303 8.568 8.270 -0.008 0.000 0.539 48 P HA 0.206 nan 4.420 nan 0.000 0.276 48 P C -1.505 175.786 177.300 -0.014 0.000 1.252 48 P CA -0.872 62.229 63.100 0.002 0.000 0.802 48 P CB 0.755 32.451 31.700 -0.007 0.000 1.035 49 K N 0.983 121.359 120.400 -0.039 0.000 2.307 49 K HA -0.160 nan 4.320 nan 0.000 0.285 49 K C 0.377 176.999 176.600 0.037 0.000 1.073 49 K CA -0.825 55.457 56.287 -0.008 0.000 0.996 49 K CB -1.321 31.170 32.500 -0.016 0.000 0.994 49 K HN 0.329 8.460 8.250 -0.078 0.072 0.452 50 Q N 3.457 123.290 119.800 0.056 0.000 2.368 50 Q HA -0.354 nan 4.340 nan 0.000 0.210 50 Q C -0.010 176.109 176.000 0.198 0.000 0.982 50 Q CA 2.048 57.913 55.803 0.103 0.000 0.884 50 Q CB 0.747 29.552 28.738 0.112 0.000 0.933 50 Q HN -0.048 8.247 8.270 0.041 0.000 0.460 51 R N -4.189 116.407 120.500 0.159 0.000 2.594 51 R HA 0.079 nan 4.340 nan 0.000 0.265 51 R C -0.992 175.385 176.300 0.128 0.000 1.070 51 R CA -0.142 56.057 56.100 0.165 0.000 0.909 51 R CB 1.804 32.172 30.300 0.113 0.000 1.243 51 R HN -0.635 7.639 8.270 0.115 0.065 0.455 52 G N 2.790 111.663 108.800 0.122 0.000 2.184 52 G HA2 -0.328 nan 3.960 nan 0.000 0.206 52 G HA3 -0.328 nan 3.960 nan 0.000 0.206 52 G C -1.450 173.552 174.900 0.170 0.000 0.995 52 G CA -0.188 44.978 45.100 0.110 0.000 0.651 52 G HN 0.556 8.915 8.290 0.114 0.000 0.511 53 F N 2.310 122.289 119.950 0.048 0.000 2.421 53 F HA 0.163 nan 4.527 nan 0.000 0.337 53 F C -1.922 173.914 175.800 0.061 0.000 1.105 53 F CA -1.725 56.323 58.000 0.081 0.000 1.049 53 F CB 2.493 41.573 39.000 0.133 0.000 1.139 53 F HN -0.558 7.924 8.300 0.305 0.000 0.479 54 R N 7.104 127.268 120.500 -0.560 0.000 2.255 54 R HA 0.285 nan 4.340 nan 0.000 0.326 54 R C -1.061 175.016 176.300 -0.373 0.000 0.986 54 R CA -1.406 54.452 56.100 -0.403 0.000 0.847 54 R CB 1.479 31.626 30.300 -0.254 0.000 1.111 54 R HN 0.256 8.065 8.270 -0.768 0.000 0.452 55 F N 6.732 126.524 119.950 -0.262 0.000 2.471 55 F HA 0.128 nan 4.527 nan 0.000 0.353 55 F C 0.440 176.133 175.800 -0.177 0.000 1.113 55 F CA -1.481 56.395 58.000 -0.206 0.000 1.262 55 F CB -0.024 38.859 39.000 -0.194 0.000 1.146 55 F HN 0.283 8.776 8.300 -0.283 -0.363 0.578 56 R N -0.251 120.257 120.500 0.013 0.000 2.637 56 R HA 0.514 nan 4.340 nan 0.000 0.291 56 R C -1.115 175.154 176.300 -0.052 0.000 0.963 56 R CA -1.534 54.565 56.100 -0.002 0.000 0.901 56 R CB 3.235 33.541 30.300 0.010 0.000 1.160 56 R HN 0.224 8.495 8.270 0.001 0.000 0.457 57 Y N 1.039 121.346 120.300 0.012 0.000 2.314 57 Y HA 0.017 nan 4.550 nan 0.000 0.334 57 Y C 1.220 177.123 175.900 0.006 0.000 1.266 57 Y CA 1.346 59.447 58.100 0.002 0.000 1.391 57 Y CB 0.239 38.673 38.460 -0.044 0.000 1.306 57 Y HN 0.632 9.466 8.280 0.296 -0.377 0.558 58 V N 2.554 122.553 119.914 0.140 0.000 2.688 58 V HA -0.381 nan 4.120 nan 0.000 0.256 58 V C 1.154 177.298 176.094 0.083 0.000 1.084 58 V CA 2.703 65.054 62.300 0.085 0.000 1.103 58 V CB -0.449 31.415 31.823 0.069 0.000 0.688 58 V HN 0.828 9.114 8.190 0.159 0.000 0.480 59 C N -3.221 116.143 119.300 0.107 0.000 2.419 59 C HA -0.220 nan 4.460 nan 0.000 0.281 59 C C 1.133 176.156 174.990 0.055 0.000 1.336 59 C CA 1.481 60.538 59.018 0.065 0.000 1.770 59 C CB -1.629 26.136 27.740 0.042 0.000 1.929 59 C HN 0.062 8.359 8.230 0.157 0.028 0.509 60 E N 0.213 120.459 120.200 0.077 0.000 2.474 60 E HA 0.052 nan 4.350 nan 0.000 0.194 60 E C 0.481 177.107 176.600 0.045 0.000 1.041 60 E CA -0.238 56.197 56.400 0.058 0.000 0.874 60 E CB 0.304 30.050 29.700 0.077 0.000 0.914 60 E HN 0.086 8.341 8.360 0.109 0.171 0.498 61 G N 0.701 109.528 108.800 0.044 0.000 2.488 61 G HA2 -0.317 nan 3.960 nan 0.000 0.237 61 G HA3 -0.317 nan 3.960 nan 0.000 0.237 61 G C -2.345 172.581 174.900 0.043 0.000 1.209 61 G CA -0.612 44.512 45.100 0.039 0.000 0.929 61 G HN -0.775 7.543 8.290 0.048 0.000 0.578 62 P HA 0.252 nan 4.420 nan 0.000 0.281 62 P C -1.227 176.120 177.300 0.078 0.000 1.281 62 P CA -0.867 62.272 63.100 0.066 0.000 0.811 62 P CB 1.862 33.607 31.700 0.075 0.000 1.154 63 S N -2.727 113.036 115.700 0.105 0.000 2.572 63 S HA -0.102 nan 4.470 nan 0.000 0.228 63 S C 0.813 175.539 174.600 0.209 0.000 0.963 63 S CA 0.038 58.307 58.200 0.114 0.000 0.939 63 S CB 0.746 64.031 63.200 0.143 0.000 0.804 63 S HN 0.296 8.675 8.310 0.115 0.000 0.480 64 H N 1.500 120.617 119.070 0.080 0.000 4.955 64 H HA -0.323 nan 4.556 nan 0.000 0.059 64 H C -0.525 174.869 175.328 0.109 0.000 0.580 64 H CA 0.947 57.042 56.048 0.079 0.000 0.969 64 H CB -1.309 28.492 29.762 0.066 0.000 0.469 64 H HN 0.197 8.487 8.280 0.172 0.093 0.792 65 G N -0.459 108.265 108.800 -0.125 0.000 2.714 65 G HA2 0.140 nan 3.960 nan 0.000 0.197 65 G HA3 0.140 nan 3.960 nan 0.000 0.197 65 G C -1.801 173.167 174.900 0.114 0.000 1.449 65 G CA -0.675 44.376 45.100 -0.081 0.000 1.065 65 G HN -0.038 8.262 8.290 0.120 0.061 0.575 66 G N -3.302 105.632 108.800 0.224 0.000 2.667 66 G HA2 0.200 nan 3.960 nan 0.000 0.298 66 G HA3 0.200 nan 3.960 nan 0.000 0.298 66 G C -1.376 173.600 174.900 0.127 0.000 1.377 66 G CA -0.830 44.390 45.100 0.201 0.000 0.964 66 G HN -0.484 7.978 8.290 0.286 0.000 0.493 67 L N 3.239 124.345 121.223 -0.196 0.000 2.810 67 L HA -0.118 nan 4.340 nan 0.000 0.279 67 L C -1.504 175.266 176.870 -0.168 0.000 1.144 67 L CA -0.721 53.769 54.840 -0.583 0.000 0.998 67 L CB 0.247 41.927 42.059 -0.632 0.000 1.342 67 L HN 0.063 8.195 8.230 -0.165 0.000 0.473 68 P HA 0.280 nan 4.420 nan 0.000 0.276 68 P C -1.366 175.831 177.300 -0.172 0.000 1.261 68 P CA -0.968 61.953 63.100 -0.299 0.000 0.800 68 P CB 1.582 33.096 31.700 -0.310 0.000 1.066 69 G N -3.254 105.444 108.800 -0.170 0.000 2.488 69 G HA2 0.331 nan 3.960 nan 0.000 0.318 69 G HA3 0.331 nan 3.960 nan 0.000 0.318 69 G C -0.989 173.873 174.900 -0.064 0.000 1.188 69 G CA -2.318 42.739 45.100 -0.072 0.000 0.944 69 G HN 0.403 8.429 8.290 -0.283 0.095 0.495 70 A N 0.494 123.296 122.820 -0.031 0.000 3.076 70 A HA -0.051 nan 4.320 nan 0.000 0.269 70 A C -0.846 176.722 177.584 -0.026 0.000 1.916 70 A CA 0.451 52.476 52.037 -0.020 0.000 1.492 70 A CB -1.573 17.424 19.000 -0.005 0.000 1.000 70 A HN 0.085 8.110 8.150 -0.018 0.114 0.615 71 S N -2.069 113.607 115.700 -0.041 0.000 4.597 71 S HA -0.141 nan 4.470 nan 0.000 0.049 71 S C -0.589 173.975 174.600 -0.060 0.000 0.858 71 S CA 0.212 58.388 58.200 -0.039 0.000 0.952 71 S CB 0.229 63.412 63.200 -0.029 0.000 0.460 71 S HN 0.228 8.453 8.310 -0.053 0.054 0.794 72 S N 3.709 119.353 115.700 -0.093 0.000 2.414 72 S HA -0.101 nan 4.470 nan 0.000 0.290 72 S C -1.221 173.326 174.600 -0.088 0.000 1.160 72 S CA 0.962 59.079 58.200 -0.139 0.000 1.069 72 S CB -0.042 63.006 63.200 -0.253 0.000 1.012 72 S HN -0.050 8.204 8.310 -0.093 0.000 0.510 73 E N 7.676 127.839 120.200 -0.063 0.000 2.179 73 E HA 0.171 nan 4.350 nan 0.000 0.275 73 E C -2.014 174.570 176.600 -0.026 0.000 0.945 73 E CA -1.008 55.372 56.400 -0.034 0.000 0.792 73 E CB 2.433 32.121 29.700 -0.020 0.000 1.125 73 E HN -0.620 7.702 8.360 -0.064 0.000 0.397 74 K N 4.370 124.764 120.400 -0.010 0.000 2.504 74 K HA -0.224 nan 4.320 nan 0.000 0.278 74 K C -0.297 176.309 176.600 0.011 0.000 1.025 74 K CA 1.033 57.324 56.287 0.006 0.000 1.093 74 K CB 0.056 32.568 32.500 0.018 0.000 0.873 74 K HN 0.345 8.591 8.250 -0.007 0.000 0.483 75 N N 3.283 121.995 118.700 0.020 0.000 2.648 75 N HA -0.352 nan 4.740 nan 0.000 0.265 75 N C -1.591 173.928 175.510 0.015 0.000 1.100 75 N CA 0.935 53.999 53.050 0.024 0.000 0.715 75 N CB -0.579 37.923 38.487 0.024 0.000 0.881 75 N HN 0.242 8.637 8.380 0.026 0.000 0.548 76 K N -1.928 118.479 120.400 0.012 0.000 3.144 76 K HA -0.216 nan 4.320 nan 0.000 0.101 76 K C -2.029 174.562 176.600 -0.014 0.000 1.261 76 K CA -0.001 56.289 56.287 0.004 0.000 0.753 76 K CB 0.056 32.554 32.500 -0.004 0.000 1.702 76 K HN 0.070 8.329 8.250 0.015 0.000 0.418 77 K N -0.319 120.079 120.400 -0.003 0.000 2.447 77 K HA -0.060 nan 4.320 nan 0.000 0.281 77 K C -0.807 175.773 176.600 -0.034 0.000 1.031 77 K CA 0.652 56.895 56.287 -0.074 0.000 1.019 77 K CB -0.183 32.327 32.500 0.017 0.000 0.918 77 K HN -0.175 8.093 8.250 0.030 0.000 0.476 78 S N 3.301 118.872 115.700 -0.215 0.000 2.571 78 S HA 0.314 nan 4.470 nan 0.000 0.284 78 S C -1.730 172.736 174.600 -0.223 0.000 1.128 78 S CA -1.140 57.030 58.200 -0.051 0.000 0.970 78 S CB 1.912 65.094 63.200 -0.030 0.000 1.039 78 S HN -0.091 8.007 8.310 -0.353 0.000 0.485 79 Y N 1.007 121.295 120.300 -0.019 0.000 2.621 79 Y HA 0.229 nan 4.550 nan 0.000 0.334 79 Y C -2.513 173.386 175.900 -0.001 0.000 1.074 79 Y CA -2.910 55.183 58.100 -0.012 0.000 1.149 79 Y CB -0.641 37.816 38.460 -0.005 0.000 1.302 79 Y HN 0.196 8.739 8.280 0.438 0.000 0.501 80 P HA -0.124 nan 4.420 nan 0.000 0.263 80 P C -1.869 175.498 177.300 0.111 0.000 1.175 80 P CA 0.537 63.730 63.100 0.156 0.000 0.761 80 P CB 0.156 32.003 31.700 0.244 0.000 0.794 81 Q N -0.038 119.750 119.800 -0.020 0.000 2.345 81 Q HA 0.858 nan 4.340 nan 0.000 0.275 81 Q C -1.455 174.409 176.000 -0.226 0.000 1.063 81 Q CA -0.895 54.833 55.803 -0.125 0.000 0.819 81 Q CB 4.580 33.261 28.738 -0.095 0.000 1.356 81 Q HN 0.551 8.684 8.270 -0.035 0.115 0.418 82 V N -3.175 116.572 119.914 -0.278 0.000 3.130 82 V HA 0.866 nan 4.120 nan 0.000 0.310 82 V C -2.805 173.169 176.094 -0.199 0.000 1.158 82 V CA -3.002 59.127 62.300 -0.286 0.000 1.029 82 V CB 3.848 35.416 31.823 -0.426 0.000 1.057 82 V HN 1.069 9.085 8.190 -0.291 0.000 0.436 83 K N 0.842 121.154 120.400 -0.146 0.000 2.498 83 K HA 0.739 nan 4.320 nan 0.000 0.254 83 K C -2.599 173.954 176.600 -0.078 0.000 0.933 83 K CA -1.457 54.762 56.287 -0.113 0.000 0.806 83 K CB 4.587 37.035 32.500 -0.088 0.000 1.301 83 K HN 0.522 8.565 8.250 -0.139 0.123 0.432 84 I N 3.290 123.807 120.570 -0.088 0.000 2.312 84 I HA 0.405 nan 4.170 nan 0.000 0.290 84 I C -1.402 174.679 176.117 -0.058 0.000 1.008 84 I CA -2.003 59.260 61.300 -0.061 0.000 1.226 84 I CB 0.846 38.796 38.000 -0.084 0.000 1.371 84 I HN 0.032 8.169 8.210 -0.120 0.000 0.468 85 C N 10.046 129.348 119.300 0.002 0.000 2.364 85 C HA 0.268 nan 4.460 nan 0.000 0.356 85 C C -0.094 174.896 174.990 0.000 0.000 1.201 85 C CA -0.527 58.500 59.018 0.015 0.000 2.227 85 C CB 1.248 29.022 27.740 0.057 0.000 2.387 85 C HN 0.786 8.938 8.230 0.042 0.104 0.546 86 N N 0.751 119.462 118.700 0.019 0.000 2.925 86 N HA -0.399 nan 4.740 nan 0.000 0.244 86 N C -1.268 174.309 175.510 0.110 0.000 1.000 86 N CA 0.685 53.744 53.050 0.014 0.000 0.895 86 N CB -0.233 38.192 38.487 -0.103 0.000 1.119 86 N HN 0.494 8.898 8.380 0.039 0.000 0.569 87 Y N -5.128 115.155 120.300 -0.029 0.000 2.609 87 Y HA -0.512 nan 4.550 nan 0.000 0.390 87 Y C -1.004 174.892 175.900 -0.006 0.000 1.661 87 Y CA 1.335 59.428 58.100 -0.012 0.000 1.408 87 Y CB 0.027 38.481 38.460 -0.010 0.000 1.966 87 Y HN -0.280 7.994 8.280 0.093 0.062 0.296 88 V N -6.611 113.459 119.914 0.261 0.000 3.410 88 V HA 0.113 nan 4.120 nan 0.000 0.257 88 V C -1.013 175.254 176.094 0.289 0.000 1.757 88 V CA -0.002 62.419 62.300 0.200 0.000 1.047 88 V CB 2.576 34.453 31.823 0.091 0.000 0.915 88 V HN 0.266 8.588 8.190 0.220 0.000 0.371 89 G N 0.325 109.378 108.800 0.422 0.000 2.472 89 G HA2 -0.203 nan 3.960 nan 0.000 0.205 89 G HA3 -0.203 nan 3.960 nan 0.000 0.205 89 G C -2.491 172.558 174.900 0.247 0.000 1.270 89 G CA -0.547 44.826 45.100 0.455 0.000 0.974 89 G HN -0.410 7.992 8.290 0.187 0.000 0.542 90 P HA -0.082 nan 4.420 nan 0.000 0.265 90 P C -2.012 175.485 177.300 0.329 0.000 1.193 90 P CA 0.536 63.801 63.100 0.276 0.000 0.765 90 P CB 0.309 32.264 31.700 0.424 0.000 0.823 91 A N 2.645 125.469 122.820 0.006 0.000 2.469 91 A HA 0.444 nan 4.320 nan 0.000 0.299 91 A C -2.184 175.146 177.584 -0.423 0.000 1.098 91 A CA -1.819 50.136 52.037 -0.137 0.000 0.737 91 A CB 3.993 22.964 19.000 -0.049 0.000 1.312 91 A HN 0.032 8.149 8.150 -0.054 0.000 0.414 92 K N 0.091 120.236 120.400 -0.424 0.000 2.316 92 K HA 0.728 nan 4.320 nan 0.000 0.251 92 K C -1.916 174.700 176.600 0.026 0.000 0.934 92 K CA -1.541 54.567 56.287 -0.299 0.000 0.802 92 K CB 3.526 35.782 32.500 -0.407 0.000 1.171 92 K HN -0.133 7.959 8.250 -0.262 0.000 0.426 93 V N 4.210 124.159 119.914 0.059 0.000 2.686 93 V HA 0.780 nan 4.120 nan 0.000 0.306 93 V C -1.119 175.064 176.094 0.148 0.000 1.065 93 V CA -1.537 60.863 62.300 0.167 0.000 0.894 93 V CB 2.753 34.690 31.823 0.190 0.000 1.004 93 V HN 0.808 8.900 8.190 0.001 0.099 0.424 94 I N 1.790 122.433 120.570 0.122 0.000 2.412 94 I HA 0.843 nan 4.170 nan 0.000 0.296 94 I C -1.561 174.486 176.117 -0.117 0.000 0.987 94 I CA -1.788 59.467 61.300 -0.075 0.000 1.180 94 I CB 2.147 39.970 38.000 -0.294 0.000 1.340 94 I HN 0.219 8.551 8.210 0.203 0.000 0.455 95 V N 3.619 123.387 119.914 -0.244 0.000 2.378 95 V HA 0.559 nan 4.120 nan 0.000 0.288 95 V C -1.329 174.549 176.094 -0.360 0.000 1.016 95 V CA -1.931 60.117 62.300 -0.420 0.000 0.840 95 V CB -0.445 31.002 31.823 -0.627 0.000 0.994 95 V HN 0.946 8.886 8.190 -0.224 0.116 0.431 96 Q N 4.252 123.835 119.800 -0.362 0.000 2.372 96 Q HA 0.793 nan 4.340 nan 0.000 0.273 96 Q C -1.846 173.988 176.000 -0.276 0.000 1.078 96 Q CA -2.263 53.379 55.803 -0.269 0.000 0.806 96 Q CB 3.841 32.461 28.738 -0.197 0.000 1.332 96 Q HN -0.033 7.983 8.270 -0.424 0.000 0.435 97 L N 3.337 124.430 121.223 -0.215 0.000 2.319 97 L HA 0.479 nan 4.340 nan 0.000 0.280 97 L C -1.160 175.636 176.870 -0.124 0.000 1.099 97 L CA 0.402 55.118 54.840 -0.207 0.000 0.828 97 L CB -0.084 41.859 42.059 -0.194 0.000 1.150 97 L HN 0.320 8.443 8.230 -0.179 0.000 0.442 98 V N 1.621 121.455 119.914 -0.134 0.000 3.145 98 V HA 0.733 nan 4.120 nan 0.000 0.311 98 V C -1.038 175.052 176.094 -0.008 0.000 1.238 98 V CA -3.077 59.188 62.300 -0.057 0.000 1.066 98 V CB 3.558 35.330 31.823 -0.086 0.000 1.144 98 V HN 0.711 8.784 8.190 -0.195 0.000 0.465 99 T N 3.209 117.777 114.554 0.024 0.000 2.794 99 T HA 0.192 nan 4.350 nan 0.000 0.296 99 T C -1.098 173.594 174.700 -0.013 0.000 0.949 99 T CA 1.023 63.156 62.100 0.055 0.000 1.101 99 T CB 0.527 69.426 68.868 0.052 0.000 0.905 99 T HN 0.247 8.394 8.240 0.005 0.096 0.516 100 N N 7.455 126.153 118.700 -0.004 0.000 2.415 100 N HA 0.039 nan 4.740 nan 0.000 0.246 100 N C -0.984 174.523 175.510 -0.006 0.000 1.078 100 N CA 0.104 53.134 53.050 -0.034 0.000 0.942 100 N CB 0.786 39.240 38.487 -0.056 0.000 1.140 100 N HN 0.267 8.671 8.380 0.041 0.000 0.501 101 G N 2.321 111.107 108.800 -0.024 0.000 2.368 101 G HA2 0.021 nan 3.960 nan 0.000 0.293 101 G HA3 0.021 nan 3.960 nan 0.000 0.293 101 G C -0.764 174.110 174.900 -0.044 0.000 1.467 101 G CA 0.075 45.164 45.100 -0.018 0.000 0.804 101 G HN -0.629 7.636 8.290 -0.043 0.000 0.535 102 K N -1.078 119.302 120.400 -0.034 0.000 2.589 102 K HA -0.192 nan 4.320 nan 0.000 0.195 102 K C -0.706 175.848 176.600 -0.078 0.000 1.040 102 K CA 1.154 57.415 56.287 -0.043 0.000 0.950 102 K CB -0.089 32.396 32.500 -0.025 0.000 0.781 102 K HN 0.148 8.388 8.250 -0.017 0.000 0.486 103 N N -1.741 116.882 118.700 -0.128 0.000 2.932 103 N HA -0.016 nan 4.740 nan 0.000 0.242 103 N C -2.218 173.049 175.510 -0.404 0.000 1.351 103 N CA -0.303 52.597 53.050 -0.250 0.000 0.785 103 N CB 1.682 40.020 38.487 -0.249 0.000 1.501 103 N HN -0.519 7.676 8.380 -0.114 0.116 0.584 104 I N 0.955 121.352 120.570 -0.289 0.000 2.821 104 I HA -0.226 nan 4.170 nan 0.000 0.294 104 I C -0.413 175.494 176.117 -0.349 0.000 1.210 104 I CA 1.055 62.214 61.300 -0.235 0.000 1.430 104 I CB 0.370 38.283 38.000 -0.145 0.000 1.356 104 I HN 0.146 8.228 8.210 -0.214 0.000 0.563 105 H N 4.994 124.034 119.070 -0.051 0.000 3.043 105 H HA 0.382 nan 4.556 nan 0.000 0.302 105 H C -1.388 173.903 175.328 -0.060 0.000 1.506 105 H CA -2.029 53.985 56.048 -0.058 0.000 1.282 105 H CB 3.381 33.101 29.762 -0.071 0.000 1.914 105 H HN -0.127 8.128 8.280 -0.042 0.000 0.625 106 L N -0.177 121.105 121.223 0.098 0.000 2.319 106 L HA -0.016 nan 4.340 nan 0.000 0.280 106 L C -0.967 175.887 176.870 -0.027 0.000 1.099 106 L CA -0.551 54.295 54.840 0.011 0.000 0.828 106 L CB 0.576 42.624 42.059 -0.017 0.000 1.150 106 L HN 0.422 8.723 8.230 0.118 0.000 0.442 107 H N 5.092 124.104 119.070 -0.097 0.000 2.546 107 H HA -0.033 nan 4.556 nan 0.000 0.365 107 H C -0.769 174.477 175.328 -0.137 0.000 1.220 107 H CA 0.306 56.268 56.048 -0.143 0.000 1.386 107 H CB 2.590 32.226 29.762 -0.209 0.000 1.510 107 H HN 0.056 8.366 8.280 0.049 0.000 0.591 108 A N 1.765 124.420 122.820 -0.275 0.000 2.021 108 A HA 0.023 nan 4.320 nan 0.000 0.216 108 A C -0.321 177.345 177.584 0.138 0.000 1.163 108 A CA 0.899 52.896 52.037 -0.067 0.000 0.676 108 A CB 0.977 19.909 19.000 -0.113 0.000 0.818 108 A HN 0.007 7.611 8.150 -0.909 0.000 0.453 109 H N -1.860 117.336 119.070 0.210 0.000 2.639 109 H HA -0.077 nan 4.556 nan 0.000 0.373 109 H C -0.590 174.688 175.328 -0.083 0.000 1.372 109 H CA -0.400 55.637 56.048 -0.019 0.000 1.448 109 H CB 1.093 30.710 29.762 -0.241 0.000 1.544 109 H HN -0.434 8.164 8.280 0.529 0.000 0.615 110 S N -1.410 114.298 115.700 0.013 0.000 2.557 110 S HA 0.269 nan 4.470 nan 0.000 0.291 110 S C -1.534 173.010 174.600 -0.093 0.000 1.116 110 S CA -0.560 57.613 58.200 -0.045 0.000 0.992 110 S CB 2.235 65.422 63.200 -0.022 0.000 1.028 110 S HN 0.223 8.522 8.310 -0.018 0.000 0.484 111 L N 5.272 126.428 121.223 -0.112 0.000 2.360 111 L HA 0.363 nan 4.340 nan 0.000 0.276 111 L C -1.278 175.546 176.870 -0.076 0.000 1.121 111 L CA 0.605 55.374 54.840 -0.119 0.000 0.845 111 L CB -0.103 41.859 42.059 -0.161 0.000 1.143 111 L HN 0.365 8.527 8.230 -0.113 0.000 0.452 112 V N -3.759 116.125 119.914 -0.050 0.000 2.769 112 V HA 0.711 nan 4.120 nan 0.000 0.312 112 V C -1.245 174.833 176.094 -0.027 0.000 1.061 112 V CA -3.303 58.979 62.300 -0.030 0.000 0.931 112 V CB 2.784 34.598 31.823 -0.014 0.000 1.010 112 V HN 0.410 8.455 8.190 -0.043 0.119 0.433 113 G N 0.736 109.514 108.800 -0.036 0.000 2.341 113 G HA2 -0.044 nan 3.960 nan 0.000 0.293 113 G HA3 -0.044 nan 3.960 nan 0.000 0.293 113 G C -1.893 172.949 174.900 -0.096 0.000 1.298 113 G CA 0.081 45.146 45.100 -0.058 0.000 0.868 113 G HN -0.159 8.111 8.290 -0.033 0.000 0.540 114 K N -0.525 119.758 120.400 -0.195 0.000 2.258 114 K HA -0.105 nan 4.320 nan 0.000 0.264 114 K C -0.392 176.002 176.600 -0.344 0.000 1.007 114 K CA -0.573 55.514 56.287 -0.333 0.000 0.941 114 K CB -0.249 31.902 32.500 -0.583 0.000 0.966 114 K HN 0.259 8.392 8.250 -0.196 0.000 0.480 115 H N -6.528 112.546 119.070 0.008 0.000 3.141 115 H HA -0.470 nan 4.556 nan 0.000 0.260 115 H C -1.431 173.900 175.328 0.005 0.000 1.132 115 H CA 0.346 56.401 56.048 0.012 0.000 1.171 115 H CB -1.879 27.902 29.762 0.031 0.000 1.274 115 H HN 0.338 8.631 8.280 0.021 0.000 0.329 116 c N -1.495 117.134 118.600 0.048 0.000 2.369 116 c HA 0.439 nan 4.570 nan 0.000 0.322 116 c C -1.354 172.737 174.090 0.001 0.000 1.258 116 c CA -0.614 55.718 56.329 0.004 0.000 1.487 116 c CB 1.731 44.224 42.510 -0.028 0.000 2.165 116 c HN -0.371 7.813 8.230 0.008 0.051 0.483 117 E N 5.427 125.627 120.200 -0.001 0.000 2.304 117 E HA 0.198 nan 4.350 nan 0.000 0.277 117 E C -1.060 175.543 176.600 0.005 0.000 0.898 117 E CA -0.395 56.010 56.400 0.008 0.000 0.764 117 E CB 3.616 33.331 29.700 0.024 0.000 1.216 117 E HN 0.885 9.125 8.360 -0.012 0.113 0.419 118 D N 5.403 125.806 120.400 0.004 0.000 2.837 118 D HA -0.332 nan 4.640 nan 0.000 0.230 118 D C -0.299 175.995 176.300 -0.010 0.000 1.152 118 D CA 1.184 55.186 54.000 0.004 0.000 0.736 118 D CB -1.157 39.654 40.800 0.018 0.000 1.084 118 D HN 0.848 9.220 8.370 0.004 0.000 0.429 119 G N -7.277 101.507 108.800 -0.028 0.000 2.147 119 G HA2 -0.497 nan 3.960 nan 0.000 0.244 119 G HA3 -0.497 nan 3.960 nan 0.000 0.244 119 G C -1.931 172.920 174.900 -0.082 0.000 1.005 119 G CA 0.580 45.648 45.100 -0.052 0.000 0.713 119 G HN 0.217 8.475 8.290 -0.025 0.017 0.515 120 V N -1.769 118.097 119.914 -0.080 0.000 2.612 120 V HA 0.508 nan 4.120 nan 0.000 0.301 120 V C -1.230 174.793 176.094 -0.118 0.000 1.059 120 V CA -1.653 60.565 62.300 -0.136 0.000 0.886 120 V CB 2.351 34.090 31.823 -0.140 0.000 1.007 120 V HN -0.690 7.323 8.190 -0.052 0.146 0.426 121 c N 7.528 126.041 118.600 -0.145 0.000 2.391 121 c HA 0.901 nan 4.570 nan 0.000 0.339 121 c C -0.793 173.265 174.090 -0.053 0.000 1.205 121 c CA -2.551 53.739 56.329 -0.064 0.000 1.937 121 c CB 1.532 44.006 42.510 -0.060 0.000 2.341 121 c HN 1.124 9.125 8.230 -0.201 0.109 0.516 122 T N -0.556 114.015 114.554 0.028 0.000 2.886 122 T HA 0.575 nan 4.350 nan 0.000 0.292 122 T C -1.584 173.146 174.700 0.050 0.000 1.012 122 T CA -1.807 60.302 62.100 0.015 0.000 0.982 122 T CB 2.112 70.958 68.868 -0.036 0.000 1.018 122 T HN 0.624 8.911 8.240 0.079 0.000 0.451 123 V N 1.610 121.551 119.914 0.046 0.000 2.876 123 V HA 0.590 nan 4.120 nan 0.000 0.312 123 V C -1.356 174.672 176.094 -0.111 0.000 1.085 123 V CA -2.151 60.126 62.300 -0.038 0.000 0.945 123 V CB 4.420 36.254 31.823 0.018 0.000 1.017 123 V HN 0.945 9.062 8.190 0.067 0.113 0.428 124 T N 3.833 118.286 114.554 -0.168 0.000 2.891 124 T HA 0.385 nan 4.350 nan 0.000 0.315 124 T C -0.536 174.067 174.700 -0.161 0.000 1.054 124 T CA -2.275 59.710 62.100 -0.192 0.000 0.958 124 T CB -0.834 67.935 68.868 -0.166 0.000 1.008 124 T HN 0.117 8.242 8.240 -0.192 0.000 0.521 125 A N 5.574 128.299 122.820 -0.159 0.000 2.540 125 A HA -0.152 nan 4.320 nan 0.000 0.264 125 A C 0.877 178.389 177.584 -0.120 0.000 1.080 125 A CA 0.438 52.386 52.037 -0.147 0.000 0.776 125 A CB 0.136 19.047 19.000 -0.149 0.000 1.011 125 A HN 0.122 8.079 8.150 -0.172 0.090 0.514 126 G N 3.055 111.789 108.800 -0.109 0.000 2.905 126 G HA2 -0.209 nan 3.960 nan 0.000 0.233 126 G HA3 -0.209 nan 3.960 nan 0.000 0.233 126 G C -0.138 174.743 174.900 -0.032 0.000 1.243 126 G CA -1.279 43.780 45.100 -0.067 0.000 0.856 126 G HN -0.003 8.212 8.290 -0.126 0.000 0.594 127 P HA -0.175 nan 4.420 nan 0.000 0.216 127 P C -0.147 177.225 177.300 0.122 0.000 1.153 127 P CA 2.401 65.545 63.100 0.074 0.000 0.858 127 P CB 0.192 31.931 31.700 0.065 0.000 0.789 128 K N -2.993 117.455 120.400 0.080 0.000 2.387 128 K HA 0.123 nan 4.320 nan 0.000 0.197 128 K C 1.261 177.884 176.600 0.039 0.000 1.127 128 K CA 0.642 57.007 56.287 0.129 0.000 0.950 128 K CB 0.275 32.834 32.500 0.100 0.000 1.017 128 K HN -0.356 7.917 8.250 0.038 0.000 0.519 129 D N 0.598 120.983 120.400 -0.025 0.000 2.120 129 D HA -0.250 nan 4.640 nan 0.000 0.191 129 D C 0.574 176.802 176.300 -0.120 0.000 0.994 129 D CA 2.506 56.467 54.000 -0.065 0.000 0.838 129 D CB -0.023 40.731 40.800 -0.077 0.000 0.976 129 D HN 0.045 8.404 8.370 -0.019 0.000 0.447 130 M N -7.218 112.273 119.600 -0.181 0.000 2.925 130 M HA -0.337 nan 4.480 nan 0.000 0.187 130 M C -1.399 174.795 176.300 -0.176 0.000 0.634 130 M CA 0.335 55.494 55.300 -0.235 0.000 0.714 130 M CB -1.537 30.866 32.600 -0.328 0.000 2.568 130 M HN -0.094 8.095 8.290 -0.168 0.000 0.281 131 V N -2.088 117.735 119.914 -0.151 0.000 2.370 131 V HA 0.530 nan 4.120 nan 0.000 0.283 131 V C -0.338 175.639 176.094 -0.195 0.000 1.023 131 V CA -0.791 61.417 62.300 -0.153 0.000 0.857 131 V CB 0.465 32.216 31.823 -0.120 0.000 0.985 131 V HN -0.702 7.308 8.190 -0.136 0.099 0.443 132 V N 2.422 122.183 119.914 -0.255 0.000 2.815 132 V HA 0.669 nan 4.120 nan 0.000 0.314 132 V C -1.536 174.225 176.094 -0.555 0.000 1.064 132 V CA -2.933 59.133 62.300 -0.389 0.000 0.952 132 V CB 2.865 34.429 31.823 -0.431 0.000 1.020 132 V HN 0.930 8.874 8.190 -0.238 0.103 0.439 133 G N 0.209 108.604 108.800 -0.675 0.000 2.612 133 G HA2 0.783 nan 3.960 nan 0.000 0.298 133 G HA3 0.783 nan 3.960 nan 0.000 0.298 133 G C -1.558 172.863 174.900 -0.798 0.000 1.336 133 G CA -0.236 44.481 45.100 -0.638 0.000 0.953 133 G HN -0.281 7.654 8.290 -0.592 0.000 0.482 134 F N 0.831 120.769 119.950 -0.020 0.000 2.513 134 F HA 0.174 nan 4.527 nan 0.000 0.358 134 F C -1.038 174.724 175.800 -0.064 0.000 1.118 134 F CA -0.948 57.043 58.000 -0.015 0.000 1.037 134 F CB 1.514 40.539 39.000 0.042 0.000 1.276 134 F HN -0.378 7.903 8.300 -0.031 0.000 0.446 135 A N 3.474 126.235 122.820 -0.098 0.000 3.106 135 A HA 0.215 nan 4.320 nan 0.000 0.306 135 A C -1.177 176.189 177.584 -0.364 0.000 1.192 135 A CA -0.437 51.308 52.037 -0.487 0.000 0.994 135 A CB -0.209 18.235 19.000 -0.928 0.000 1.107 135 A HN 0.331 8.419 8.150 -0.104 0.000 0.585 136 N N -2.030 116.621 118.700 -0.081 0.000 2.566 136 N HA 0.042 nan 4.740 nan 0.000 0.221 136 N C -1.210 174.301 175.510 0.002 0.000 1.363 136 N CA -0.354 52.669 53.050 -0.045 0.000 1.517 136 N CB 0.782 39.208 38.487 -0.101 0.000 1.312 136 N HN -0.311 8.021 8.380 0.021 0.060 0.601 137 L N 0.191 121.426 121.223 0.019 0.000 2.367 137 L HA 0.149 nan 4.340 nan 0.000 0.275 137 L C -0.921 175.954 176.870 0.009 0.000 1.129 137 L CA 0.219 55.048 54.840 -0.018 0.000 0.839 137 L CB 0.789 42.806 42.059 -0.069 0.000 1.133 137 L HN -0.273 7.983 8.230 0.043 0.000 0.453 138 G N 1.939 110.765 108.800 0.045 0.000 2.453 138 G HA2 0.467 nan 3.960 nan 0.000 0.323 138 G HA3 0.467 nan 3.960 nan 0.000 0.323 138 G C -2.108 172.847 174.900 0.091 0.000 1.198 138 G CA -1.692 43.508 45.100 0.167 0.000 0.959 138 G HN 0.497 8.790 8.290 0.004 0.000 0.482 139 I N 1.378 122.048 120.570 0.166 0.000 2.420 139 I HA 0.326 nan 4.170 nan 0.000 0.282 139 I C -1.442 174.580 176.117 -0.158 0.000 1.019 139 I CA -0.901 60.347 61.300 -0.086 0.000 1.130 139 I CB 1.641 39.466 38.000 -0.292 0.000 1.262 139 I HN 0.360 8.765 8.210 0.325 0.000 0.454 140 L N 8.342 129.467 121.223 -0.163 0.000 2.361 140 L HA 0.258 nan 4.340 nan 0.000 0.278 140 L C -1.635 175.032 176.870 -0.339 0.000 1.113 140 L CA -1.072 53.674 54.840 -0.157 0.000 0.849 140 L CB -0.054 41.961 42.059 -0.073 0.000 1.155 140 L HN 0.779 8.823 8.230 -0.136 0.104 0.452 141 H N 8.358 127.093 119.070 -0.559 0.000 2.668 141 H HA 0.101 nan 4.556 nan 0.000 0.303 141 H C -1.191 173.811 175.328 -0.542 0.000 1.074 141 H CA -0.743 54.708 56.048 -0.995 0.000 1.406 141 H CB 1.450 30.580 29.762 -1.054 0.000 1.442 141 H HN 0.594 8.616 8.280 -0.246 0.110 0.482 142 V N 2.068 121.997 119.914 0.025 0.000 3.170 142 V HA 0.270 nan 4.120 nan 0.000 0.309 142 V C -0.763 175.554 176.094 0.371 0.000 1.071 142 V CA -1.514 60.935 62.300 0.250 0.000 1.063 142 V CB 0.940 32.931 31.823 0.281 0.000 1.123 142 V HN -0.602 7.636 8.190 0.081 0.000 0.464 143 T N 0.498 115.235 114.554 0.304 0.000 2.913 143 T HA 0.202 nan 4.350 nan 0.000 0.287 143 T C 0.394 175.239 174.700 0.241 0.000 1.008 143 T CA -0.196 62.084 62.100 0.300 0.000 1.067 143 T CB 1.223 70.217 68.868 0.210 0.000 0.996 143 T HN 0.010 8.394 8.240 0.240 0.000 0.513 144 K N 2.950 123.480 120.400 0.216 0.000 2.360 144 K HA -0.256 nan 4.320 nan 0.000 0.201 144 K C 1.051 177.726 176.600 0.125 0.000 1.046 144 K CA 2.929 59.315 56.287 0.165 0.000 0.945 144 K CB -0.039 32.544 32.500 0.137 0.000 0.750 144 K HN 0.294 8.678 8.250 0.223 0.000 0.464 145 K N -2.209 118.262 120.400 0.118 0.000 2.098 145 K HA -0.057 nan 4.320 nan 0.000 0.203 145 K C 1.101 177.767 176.600 0.110 0.000 1.051 145 K CA 1.885 58.228 56.287 0.094 0.000 0.957 145 K CB -0.151 32.394 32.500 0.074 0.000 0.738 145 K HN -0.137 8.128 8.250 0.130 0.063 0.447 146 K N -0.765 119.710 120.400 0.124 0.000 2.476 146 K HA 0.077 nan 4.320 nan 0.000 0.196 146 K C 1.231 177.906 176.600 0.126 0.000 1.025 146 K CA 0.714 57.075 56.287 0.124 0.000 1.138 146 K CB -0.452 32.116 32.500 0.113 0.000 0.860 146 K HN -0.537 7.793 8.250 0.134 0.000 0.515 147 V N 0.112 120.105 119.914 0.133 0.000 2.427 147 V HA -0.327 nan 4.120 nan 0.000 0.248 147 V C 1.718 177.860 176.094 0.080 0.000 1.051 147 V CA 3.987 66.345 62.300 0.097 0.000 1.048 147 V CB -0.919 30.954 31.823 0.084 0.000 0.666 147 V HN -0.187 8.013 8.190 0.139 0.073 0.456 148 F N -0.097 119.854 119.950 0.002 0.000 2.053 148 F HA -0.419 nan 4.527 nan 0.000 0.292 148 F C 0.374 176.171 175.800 -0.005 0.000 1.125 148 F CA 3.982 61.976 58.000 -0.010 0.000 1.193 148 F CB 0.398 39.394 39.000 -0.006 0.000 0.996 148 F HN -0.394 8.071 8.300 0.276 0.000 0.470 149 E N -2.196 118.063 120.200 0.100 0.000 2.086 149 E HA -0.573 nan 4.350 nan 0.000 0.200 149 E C 2.168 178.695 176.600 -0.122 0.000 1.012 149 E CA 2.996 59.381 56.400 -0.025 0.000 0.812 149 E CB -0.804 28.968 29.700 0.120 0.000 0.743 149 E HN 0.426 9.009 8.360 0.371 0.000 0.453 150 T N -2.126 112.396 114.554 -0.053 0.000 2.746 150 T HA -0.217 nan 4.350 nan 0.000 0.267 150 T C 2.051 176.690 174.700 -0.101 0.000 1.039 150 T CA 2.960 65.031 62.100 -0.047 0.000 1.142 150 T CB -0.202 68.671 68.868 0.009 0.000 0.866 150 T HN -0.462 7.780 8.240 0.003 0.000 0.444 151 L N 2.289 123.422 121.223 -0.150 0.000 1.994 151 L HA -0.304 nan 4.340 nan 0.000 0.208 151 L C 1.172 177.902 176.870 -0.233 0.000 1.071 151 L CA 2.668 57.400 54.840 -0.181 0.000 0.745 151 L CB -0.367 41.574 42.059 -0.198 0.000 0.892 151 L HN -0.554 7.593 8.230 -0.137 0.000 0.431 152 E N -0.703 119.260 120.200 -0.394 0.000 2.065 152 E HA -0.565 nan 4.350 nan 0.000 0.201 152 E C 2.088 178.559 176.600 -0.215 0.000 1.016 152 E CA 3.581 59.744 56.400 -0.396 0.000 0.818 152 E CB -0.067 29.233 29.700 -0.667 0.000 0.749 152 E HN 0.190 8.233 8.360 -0.528 0.000 0.453 153 A N -1.278 121.438 122.820 -0.174 0.000 1.902 153 A HA -0.292 nan 4.320 nan 0.000 0.217 153 A C 2.305 179.844 177.584 -0.074 0.000 1.181 153 A CA 3.236 55.215 52.037 -0.097 0.000 0.623 153 A CB -0.852 18.108 19.000 -0.067 0.000 0.818 153 A HN -0.229 7.798 8.150 -0.204 0.000 0.443 154 R N -1.852 118.601 120.500 -0.078 0.000 2.081 154 R HA -0.324 nan 4.340 nan 0.000 0.235 154 R C 2.902 179.175 176.300 -0.045 0.000 1.131 154 R CA 2.356 58.427 56.100 -0.048 0.000 0.960 154 R CB -0.556 29.715 30.300 -0.049 0.000 0.856 154 R HN -0.170 7.965 8.270 -0.097 0.077 0.436 155 M N -1.359 118.196 119.600 -0.075 0.000 2.132 155 M HA -0.310 nan 4.480 nan 0.000 0.263 155 M C 2.189 178.454 176.300 -0.058 0.000 1.065 155 M CA 4.145 59.406 55.300 -0.064 0.000 1.122 155 M CB -0.297 32.250 32.600 -0.088 0.000 1.365 155 M HN 0.315 8.465 8.290 -0.105 0.078 0.411 156 T N 2.288 116.802 114.554 -0.066 0.000 2.643 156 T HA -0.373 nan 4.350 nan 0.000 0.264 156 T C 1.768 176.435 174.700 -0.056 0.000 1.045 156 T CA 5.463 67.528 62.100 -0.058 0.000 1.155 156 T CB -0.665 68.170 68.868 -0.056 0.000 0.863 156 T HN 0.100 8.227 8.240 -0.082 0.064 0.420 157 E N 0.238 120.411 120.200 -0.045 0.000 2.265 157 E HA -0.257 nan 4.350 nan 0.000 0.196 157 E C 1.215 177.779 176.600 -0.059 0.000 0.996 157 E CA 2.536 58.909 56.400 -0.045 0.000 0.832 157 E CB -0.474 29.217 29.700 -0.015 0.000 0.756 157 E HN 0.093 8.428 8.360 -0.042 0.000 0.491 158 A N -2.252 120.551 122.820 -0.028 0.000 2.021 158 A HA 0.015 nan 4.320 nan 0.000 0.216 158 A C 1.569 179.105 177.584 -0.078 0.000 1.163 158 A CA 2.179 54.215 52.037 -0.002 0.000 0.676 158 A CB 0.397 19.428 19.000 0.052 0.000 0.818 158 A HN -0.407 7.592 8.150 -0.024 0.137 0.453 159 C N -0.830 118.417 119.300 -0.088 0.000 2.544 159 C HA -0.137 nan 4.460 nan 0.000 0.280 159 C C 2.037 176.949 174.990 -0.130 0.000 1.295 159 C CA 4.140 63.094 59.018 -0.108 0.000 1.702 159 C CB -0.619 27.062 27.740 -0.097 0.000 2.090 159 C HN -0.317 7.763 8.230 -0.072 0.107 0.493 160 I N -1.842 118.655 120.570 -0.122 0.000 3.454 160 I HA -0.330 nan 4.170 nan 0.000 0.297 160 I C -0.270 175.729 176.117 -0.196 0.000 1.298 160 I CA 2.312 63.538 61.300 -0.123 0.000 1.297 160 I CB -0.849 37.097 38.000 -0.090 0.000 1.017 160 I HN -0.163 7.985 8.210 -0.104 0.000 0.528 161 R N -2.121 118.195 120.500 -0.307 0.000 2.504 161 R HA 0.006 nan 4.340 nan 0.000 0.341 161 R C -0.071 175.852 176.300 -0.628 0.000 0.905 161 R CA -1.116 54.654 56.100 -0.551 0.000 1.133 161 R CB 0.810 30.585 30.300 -0.875 0.000 1.704 161 R HN -0.781 7.199 8.270 -0.274 0.125 0.503 162 G N -0.895 107.710 108.800 -0.325 0.000 2.203 162 G HA2 -0.351 nan 3.960 nan 0.000 0.263 162 G HA3 -0.351 nan 3.960 nan 0.000 0.263 162 G C 0.577 175.496 174.900 0.031 0.000 1.012 162 G CA 0.958 45.974 45.100 -0.139 0.000 0.749 162 G HN -0.356 7.683 8.290 -0.244 0.104 0.512 163 Y N 0.984 121.289 120.300 0.008 0.000 2.724 163 Y HA -0.135 nan 4.550 nan 0.000 0.354 163 Y C -0.580 175.362 175.900 0.069 0.000 1.270 163 Y CA -2.447 55.691 58.100 0.062 0.000 1.902 163 Y CB -2.379 36.085 38.460 0.007 0.000 1.981 163 Y HN -0.467 7.675 8.280 -0.182 0.030 0.428 164 N N -2.565 116.280 118.700 0.242 0.000 2.756 164 N HA -0.320 nan 4.740 nan 0.000 0.248 164 N C -1.611 173.943 175.510 0.073 0.000 1.062 164 N CA 0.553 53.683 53.050 0.134 0.000 0.696 164 N CB -1.707 36.845 38.487 0.108 0.000 0.946 164 N HN -0.140 8.349 8.380 0.287 0.063 0.548 165 P HA -0.161 nan 4.420 nan 0.000 0.213 165 P C 1.103 178.400 177.300 -0.005 0.000 1.170 165 P CA 3.243 66.336 63.100 -0.011 0.000 0.893 165 P CB 0.104 31.754 31.700 -0.083 0.000 0.784 166 G N -4.413 104.375 108.800 -0.020 0.000 2.653 166 G HA2 -0.157 nan 3.960 nan 0.000 0.212 166 G HA3 -0.157 nan 3.960 nan 0.000 0.212 166 G C 0.201 175.129 174.900 0.047 0.000 1.138 166 G CA 1.065 46.170 45.100 0.008 0.000 0.782 166 G HN 0.219 8.486 8.290 -0.038 0.000 0.535 167 L N -1.470 119.780 121.223 0.045 0.000 2.488 167 L HA 0.232 nan 4.340 nan 0.000 0.186 167 L C 0.502 177.408 176.870 0.060 0.000 1.124 167 L CA 1.441 56.305 54.840 0.040 0.000 0.838 167 L CB 0.671 42.745 42.059 0.025 0.000 1.107 167 L HN -0.772 7.277 8.230 0.040 0.205 0.494 168 L N -2.870 118.394 121.223 0.068 0.000 2.044 168 L HA -0.166 nan 4.340 nan 0.000 0.205 168 L C 2.381 179.355 176.870 0.174 0.000 1.075 168 L CA 2.305 57.210 54.840 0.108 0.000 0.747 168 L CB -0.466 41.630 42.059 0.062 0.000 0.903 168 L HN -0.001 8.262 8.230 0.055 0.000 0.435 169 V N -2.849 117.120 119.914 0.090 0.000 2.325 169 V HA -0.125 nan 4.120 nan 0.000 0.229 169 V C -0.306 175.847 176.094 0.098 0.000 1.062 169 V CA 2.081 64.411 62.300 0.050 0.000 1.039 169 V CB 0.365 32.197 31.823 0.016 0.000 0.667 169 V HN -0.294 7.937 8.190 0.068 0.000 0.474 170 H N -0.945 118.124 119.070 -0.002 0.000 3.029 170 H HA 0.294 nan 4.556 nan 0.000 0.358 170 H C 0.797 176.125 175.328 0.001 0.000 1.129 170 H CA -2.023 54.031 56.048 0.009 0.000 1.230 170 H CB 2.832 32.589 29.762 -0.009 0.000 1.827 170 H HN -0.686 7.669 8.280 0.125 0.000 0.530 171 S N 6.504 122.487 115.700 0.470 0.000 2.381 171 S HA -0.471 nan 4.470 nan 0.000 0.230 171 S C 1.570 176.219 174.600 0.081 0.000 1.052 171 S CA 3.270 61.602 58.200 0.220 0.000 1.068 171 S CB -0.082 63.248 63.200 0.217 0.000 0.918 171 S HN 0.499 9.096 8.310 0.478 0.000 0.448 172 D N 2.371 122.723 120.400 -0.080 0.000 2.292 172 D HA -0.254 nan 4.640 nan 0.000 0.205 172 D C 0.965 177.222 176.300 -0.071 0.000 0.994 172 D CA 2.445 56.332 54.000 -0.188 0.000 0.897 172 D CB -0.210 40.244 40.800 -0.577 0.000 0.907 172 D HN -0.542 7.797 8.370 -0.052 -0.000 0.467 173 L N -2.744 118.359 121.223 -0.200 0.000 3.017 173 L HA 0.240 nan 4.340 nan 0.000 0.255 173 L C 0.447 177.014 176.870 -0.506 0.000 1.247 173 L CA -1.220 53.313 54.840 -0.512 0.000 1.038 173 L CB -0.521 41.351 42.059 -0.312 0.000 1.380 173 L HN -0.121 7.859 8.230 -0.118 0.180 0.548 174 A N 2.328 124.999 122.820 -0.249 0.000 1.873 174 A HA -0.221 nan 4.320 nan 0.000 0.215 174 A C 1.363 178.883 177.584 -0.107 0.000 1.186 174 A CA 2.975 54.951 52.037 -0.102 0.000 0.616 174 A CB -0.778 18.237 19.000 0.025 0.000 0.823 174 A HN 0.356 8.282 8.150 -0.120 0.151 0.442 175 Y N -5.802 114.505 120.300 0.013 0.000 2.348 175 Y HA -0.359 nan 4.550 nan 0.000 0.285 175 Y C -0.316 175.590 175.900 0.009 0.000 1.173 175 Y CA -0.286 57.819 58.100 0.010 0.000 1.263 175 Y CB -1.710 36.750 38.460 -0.001 0.000 0.974 175 Y HN -0.242 8.106 8.280 0.113 0.000 0.547 176 L N -0.327 120.705 121.223 -0.319 0.000 2.774 176 L HA -0.341 nan 4.340 nan 0.000 0.279 176 L C -0.214 176.632 176.870 -0.040 0.000 1.137 176 L CA 1.367 56.108 54.840 -0.164 0.000 1.021 176 L CB -1.766 40.114 42.059 -0.297 0.000 1.366 176 L HN -0.806 6.830 8.230 -0.718 0.163 0.471 177 Q N -0.585 119.230 119.800 0.024 0.000 5.163 177 Q HA -0.093 nan 4.340 nan 0.000 0.259 177 Q C 0.144 176.171 176.000 0.045 0.000 0.852 177 Q CA 0.459 56.276 55.803 0.025 0.000 0.670 177 Q CB 0.209 28.977 28.738 0.051 0.000 0.841 177 Q HN -0.077 8.235 8.270 0.070 0.000 0.619 178 A N 3.842 126.708 122.820 0.076 0.000 5.222 178 A HA -0.462 nan 4.320 nan 0.000 0.373 178 A C -0.865 176.745 177.584 0.043 0.000 1.531 178 A CA 2.278 54.356 52.037 0.068 0.000 0.751 178 A CB -1.545 17.501 19.000 0.077 0.000 1.543 178 A HN -0.155 8.054 8.150 0.099 0.000 0.434 179 E N 0.802 121.020 120.200 0.031 0.000 3.105 179 E HA 0.078 nan 4.350 nan 0.000 0.198 179 E C -0.772 175.834 176.600 0.011 0.000 0.976 179 E CA -0.900 55.512 56.400 0.019 0.000 1.219 179 E CB 0.503 30.212 29.700 0.015 0.000 1.081 179 E HN 0.154 8.534 8.360 0.032 0.000 0.464 180 G N 0.170 108.975 108.800 0.009 0.000 2.403 180 G HA2 0.093 nan 3.960 nan 0.000 0.259 180 G HA3 0.093 nan 3.960 nan 0.000 0.259 180 G C 0.246 175.140 174.900 -0.011 0.000 1.244 180 G CA -0.050 45.048 45.100 -0.003 0.000 0.849 180 G HN -0.651 7.648 8.290 0.014 0.000 0.532 181 G N -0.228 108.564 108.800 -0.012 0.000 2.843 181 G HA2 -0.218 nan 3.960 nan 0.000 0.275 181 G HA3 -0.218 nan 3.960 nan 0.000 0.275 181 G C 0.371 175.256 174.900 -0.025 0.000 0.709 181 G CA -0.326 44.765 45.100 -0.014 0.000 2.089 181 G HN 0.204 8.488 8.290 -0.010 0.000 0.571 182 G N 2.157 110.937 108.800 -0.034 0.000 2.198 182 G HA2 -0.383 nan 3.960 nan 0.000 0.260 182 G HA3 -0.383 nan 3.960 nan 0.000 0.260 182 G C -1.693 173.157 174.900 -0.084 0.000 1.025 182 G CA 0.230 45.295 45.100 -0.058 0.000 0.769 182 G HN 0.192 8.426 8.290 -0.027 0.040 0.507 183 D N -4.138 116.218 120.400 -0.074 0.000 3.213 183 D HA 0.106 nan 4.640 nan 0.000 0.357 183 D C -2.824 173.441 176.300 -0.057 0.000 1.446 183 D CA -0.952 53.000 54.000 -0.081 0.000 0.893 183 D CB 1.712 42.475 40.800 -0.062 0.000 1.466 183 D HN -0.395 7.924 8.370 -0.057 0.017 0.541 184 R N -1.523 118.949 120.500 -0.047 0.000 2.709 184 R HA 0.154 nan 4.340 nan 0.000 0.270 184 R C -1.818 174.472 176.300 -0.017 0.000 1.038 184 R CA -0.797 55.290 56.100 -0.022 0.000 0.872 184 R CB 2.749 33.035 30.300 -0.023 0.000 1.259 184 R HN 0.056 8.294 8.270 -0.053 0.000 0.473 185 Q N 2.573 122.373 119.800 0.000 0.000 2.401 185 Q HA 0.234 nan 4.340 nan 0.000 0.260 185 Q C -1.186 174.822 176.000 0.013 0.000 1.034 185 Q CA -1.528 54.275 55.803 0.000 0.000 0.737 185 Q CB 1.430 30.168 28.738 0.001 0.000 1.227 185 Q HN 0.343 8.619 8.270 0.011 0.000 0.488 186 L N 5.855 127.083 121.223 0.009 0.000 2.559 186 L HA -0.148 nan 4.340 nan 0.000 0.282 186 L C -0.399 176.487 176.870 0.026 0.000 1.232 186 L CA 0.683 55.535 54.840 0.020 0.000 0.885 186 L CB 0.112 42.173 42.059 0.004 0.000 1.131 186 L HN 0.232 8.460 8.230 -0.003 0.000 0.498 187 T N -3.256 111.324 114.554 0.044 0.000 2.876 187 T HA 0.151 nan 4.350 nan 0.000 0.277 187 T C -0.015 174.703 174.700 0.030 0.000 0.997 187 T CA -2.166 59.954 62.100 0.034 0.000 0.966 187 T CB 2.186 71.074 68.868 0.034 0.000 1.312 187 T HN -0.488 7.967 8.240 0.066 -0.176 0.598 188 D N -0.349 120.063 120.400 0.020 0.000 2.722 188 D HA -0.355 nan 4.640 nan 0.000 0.252 188 D C 2.217 178.529 176.300 0.021 0.000 1.234 188 D CA 3.931 57.940 54.000 0.015 0.000 1.061 188 D CB 0.381 41.185 40.800 0.006 0.000 1.558 188 D HN 0.329 8.707 8.370 0.014 0.000 0.555 189 R N -2.060 118.454 120.500 0.023 0.000 2.235 189 R HA -0.145 nan 4.340 nan 0.000 0.213 189 R C 1.704 178.023 176.300 0.032 0.000 1.059 189 R CA 1.304 57.418 56.100 0.024 0.000 0.997 189 R CB -0.647 29.662 30.300 0.016 0.000 0.884 189 R HN 0.401 8.682 8.270 0.019 0.000 0.462 190 E N -2.606 117.626 120.200 0.053 0.000 2.405 190 E HA -0.171 nan 4.350 nan 0.000 0.194 190 E C -0.285 176.330 176.600 0.024 0.000 1.149 190 E CA 1.016 57.452 56.400 0.061 0.000 0.933 190 E CB -1.026 28.743 29.700 0.115 0.000 1.028 190 E HN 0.231 8.488 8.360 0.056 0.136 0.487 191 K N -4.290 116.121 120.400 0.018 0.000 2.929 191 K HA 0.063 nan 4.320 nan 0.000 0.188 191 K C 0.709 177.321 176.600 0.019 0.000 1.654 191 K CA 1.046 57.340 56.287 0.012 0.000 1.349 191 K CB 1.429 33.937 32.500 0.014 0.000 1.879 191 K HN -0.280 7.834 8.250 0.023 0.150 0.626 192 E N 2.029 122.244 120.200 0.025 0.000 2.012 192 E HA -0.262 nan 4.350 nan 0.000 0.197 192 E C 2.058 178.681 176.600 0.038 0.000 1.007 192 E CA 3.049 59.468 56.400 0.032 0.000 0.816 192 E CB -0.253 29.464 29.700 0.028 0.000 0.762 192 E HN -0.688 7.626 8.360 0.023 0.060 0.451 193 I N -4.614 115.975 120.570 0.033 0.000 2.530 193 I HA -0.386 nan 4.170 nan 0.000 0.257 193 I C 1.972 178.122 176.117 0.054 0.000 1.179 193 I CA 3.445 64.775 61.300 0.050 0.000 1.440 193 I CB -0.644 37.366 38.000 0.017 0.000 1.087 193 I HN 0.051 8.275 8.210 0.023 0.000 0.440 194 I N 1.563 122.147 120.570 0.024 0.000 2.162 194 I HA -0.478 nan 4.170 nan 0.000 0.238 194 I C 1.625 177.741 176.117 -0.003 0.000 1.076 194 I CA 3.816 65.114 61.300 -0.004 0.000 1.353 194 I CB -0.404 37.581 38.000 -0.026 0.000 1.063 194 I HN -1.051 7.012 8.210 0.018 0.158 0.408 195 R N -0.713 119.803 120.500 0.027 0.000 2.105 195 R HA -0.457 nan 4.340 nan 0.000 0.239 195 R C 2.561 178.948 176.300 0.145 0.000 1.135 195 R CA 3.597 59.753 56.100 0.093 0.000 0.967 195 R CB -0.288 30.091 30.300 0.132 0.000 0.861 195 R HN -0.020 8.267 8.270 0.027 0.000 0.442 196 Q N -2.061 117.794 119.800 0.093 0.000 1.993 196 Q HA -0.285 nan 4.340 nan 0.000 0.202 196 Q C 2.258 178.301 176.000 0.072 0.000 0.984 196 Q CA 2.952 58.807 55.803 0.086 0.000 0.837 196 Q CB -0.117 28.664 28.738 0.072 0.000 0.902 196 Q HN 0.119 8.419 8.270 0.072 0.013 0.423 197 A N -0.994 121.850 122.820 0.040 0.000 1.940 197 A HA -0.309 nan 4.320 nan 0.000 0.219 197 A C 1.928 179.487 177.584 -0.042 0.000 1.176 197 A CA 2.792 54.817 52.037 -0.021 0.000 0.631 197 A CB -0.812 18.162 19.000 -0.043 0.000 0.814 197 A HN 0.213 8.276 8.150 0.049 0.116 0.446 198 A N -4.101 118.702 122.820 -0.028 0.000 2.024 198 A HA -0.266 nan 4.320 nan 0.000 0.220 198 A C 2.315 179.995 177.584 0.161 0.000 1.164 198 A CA 2.964 54.961 52.037 -0.067 0.000 0.643 198 A CB -0.494 18.295 19.000 -0.352 0.000 0.806 198 A HN -0.007 8.119 8.150 -0.022 0.011 0.451 199 V N -1.253 118.815 119.914 0.257 0.000 2.426 199 V HA -0.305 nan 4.120 nan 0.000 0.242 199 V C 2.204 178.346 176.094 0.081 0.000 1.036 199 V CA 3.585 66.018 62.300 0.222 0.000 1.044 199 V CB -0.458 31.438 31.823 0.122 0.000 0.688 199 V HN -0.476 7.697 8.190 0.207 0.141 0.462 200 Q N -1.119 118.701 119.800 0.034 0.000 2.119 200 Q HA -0.303 nan 4.340 nan 0.000 0.201 200 Q C 2.456 178.436 176.000 -0.033 0.000 0.972 200 Q CA 2.766 58.565 55.803 -0.006 0.000 0.847 200 Q CB -0.150 28.575 28.738 -0.022 0.000 0.903 200 Q HN -0.540 7.755 8.270 0.041 0.000 0.433 201 Q N -1.513 118.244 119.800 -0.070 0.000 2.123 201 Q HA -0.240 nan 4.340 nan 0.000 0.199 201 Q C 2.166 178.124 176.000 -0.071 0.000 0.966 201 Q CA 2.998 58.730 55.803 -0.118 0.000 0.845 201 Q CB 0.147 28.745 28.738 -0.234 0.000 0.907 201 Q HN 0.291 8.520 8.270 -0.068 0.000 0.439 202 T N -3.742 110.800 114.554 -0.019 0.000 2.929 202 T HA -0.188 nan 4.350 nan 0.000 0.271 202 T C 1.179 175.885 174.700 0.010 0.000 1.085 202 T CA 2.684 64.789 62.100 0.009 0.000 1.125 202 T CB -0.665 68.271 68.868 0.113 0.000 0.874 202 T HN -0.505 7.745 8.240 0.017 0.000 0.494 203 K N -0.908 119.497 120.400 0.008 0.000 2.167 203 K HA -0.081 nan 4.320 nan 0.000 0.203 203 K C 1.505 178.106 176.600 0.001 0.000 1.052 203 K CA 1.633 57.925 56.287 0.008 0.000 0.956 203 K CB 0.052 32.555 32.500 0.006 0.000 0.735 203 K HN -0.519 7.699 8.250 0.008 0.037 0.451 204 E N -1.241 118.953 120.200 -0.010 0.000 2.051 204 E HA -0.185 nan 4.350 nan 0.000 0.189 204 E C 0.879 177.472 176.600 -0.012 0.000 0.979 204 E CA 0.622 57.019 56.400 -0.005 0.000 0.803 204 E CB 0.300 30.000 29.700 -0.000 0.000 0.761 204 E HN -0.601 7.612 8.360 -0.019 0.136 0.451 205 M N 1.374 120.943 119.600 -0.051 0.000 2.234 205 M HA -0.328 nan 4.480 nan 0.000 0.409 205 M C -1.468 174.817 176.300 -0.024 0.000 1.378 205 M CA 1.164 56.406 55.300 -0.096 0.000 0.815 205 M CB 0.185 32.656 32.600 -0.214 0.000 1.971 205 M HN -0.683 7.569 8.290 -0.063 0.000 0.506 206 D N 6.048 126.461 120.400 0.022 0.000 2.280 206 D HA 0.074 nan 4.640 nan 0.000 0.236 206 D C -0.692 175.712 176.300 0.174 0.000 1.082 206 D CA -0.650 53.412 54.000 0.102 0.000 0.834 206 D CB 0.819 41.689 40.800 0.117 0.000 1.100 206 D HN 0.229 8.605 8.370 0.010 0.000 0.486 207 L N 5.801 127.128 121.223 0.174 0.000 2.611 207 L HA 0.099 nan 4.340 nan 0.000 0.229 207 L C 0.363 177.394 176.870 0.269 0.000 1.137 207 L CA 0.362 55.332 54.840 0.217 0.000 0.901 207 L CB -0.080 42.186 42.059 0.345 0.000 1.098 207 L HN 0.310 8.639 8.230 0.165 0.000 0.456 208 S N -2.117 113.713 115.700 0.217 0.000 2.497 208 S HA 0.057 nan 4.470 nan 0.000 0.218 208 S C -0.729 173.984 174.600 0.187 0.000 1.023 208 S CA 0.893 59.193 58.200 0.168 0.000 0.913 208 S CB 1.580 64.851 63.200 0.119 0.000 0.800 208 S HN 0.261 8.995 8.310 0.189 -0.311 0.505 209 V N -0.060 119.949 119.914 0.158 0.000 2.715 209 V HA 0.736 nan 4.120 nan 0.000 0.310 209 V C -0.845 175.169 176.094 -0.133 0.000 1.054 209 V CA -1.158 61.160 62.300 0.029 0.000 0.928 209 V CB 2.437 34.224 31.823 -0.061 0.000 1.007 209 V HN -0.878 7.513 8.190 0.149 -0.112 0.437 210 V N -1.674 118.126 119.914 -0.190 0.000 3.188 210 V HA 0.821 nan 4.120 nan 0.000 0.305 210 V C -2.230 173.716 176.094 -0.246 0.000 1.232 210 V CA -1.878 60.224 62.300 -0.330 0.000 1.043 210 V CB 3.853 35.372 31.823 -0.507 0.000 1.068 210 V HN 0.624 8.737 8.190 -0.129 0.000 0.439 211 R N -1.965 118.394 120.500 -0.234 0.000 2.740 211 R HA 0.915 nan 4.340 nan 0.000 0.273 211 R C -1.819 174.323 176.300 -0.265 0.000 0.998 211 R CA -1.298 54.676 56.100 -0.210 0.000 0.900 211 R CB 4.880 35.083 30.300 -0.163 0.000 1.223 211 R HN -0.237 7.889 8.270 -0.240 0.000 0.466 212 L N 0.293 121.325 121.223 -0.318 0.000 2.334 212 L HA 0.792 nan 4.340 nan 0.000 0.275 212 L C -1.391 175.106 176.870 -0.623 0.000 1.036 212 L CA -0.925 53.588 54.840 -0.546 0.000 0.807 212 L CB 2.154 43.782 42.059 -0.719 0.000 1.231 212 L HN 0.426 8.506 8.230 -0.250 0.000 0.438 213 M N 1.729 120.907 119.600 -0.704 0.000 2.204 213 M HA 0.511 nan 4.480 nan 0.000 0.293 213 M C -2.048 173.891 176.300 -0.601 0.000 0.994 213 M CA -0.709 54.297 55.300 -0.490 0.000 0.925 213 M CB 3.024 35.471 32.600 -0.254 0.000 1.577 213 M HN -0.078 7.803 8.290 -0.682 0.000 0.439 214 F N 5.443 125.338 119.950 -0.092 0.000 2.436 214 F HA 0.633 nan 4.527 nan 0.000 0.340 214 F C -1.304 174.461 175.800 -0.059 0.000 1.113 214 F CA -1.664 56.294 58.000 -0.070 0.000 1.022 214 F CB 1.766 40.759 39.000 -0.012 0.000 1.128 214 F HN 0.930 9.092 8.300 -0.050 0.108 0.466 215 T N 5.528 120.138 114.554 0.094 0.000 2.879 215 T HA 0.389 nan 4.350 nan 0.000 0.290 215 T C -2.045 172.591 174.700 -0.107 0.000 0.993 215 T CA -0.444 61.627 62.100 -0.048 0.000 0.975 215 T CB 2.444 71.267 68.868 -0.075 0.000 0.981 215 T HN 0.062 8.368 8.240 0.110 0.000 0.439 216 A N 5.981 128.676 122.820 -0.209 0.000 2.310 216 A HA 0.825 nan 4.320 nan 0.000 0.299 216 A C -2.142 175.183 177.584 -0.432 0.000 1.147 216 A CA -1.288 50.649 52.037 -0.168 0.000 0.818 216 A CB 1.691 20.645 19.000 -0.076 0.000 1.096 216 A HN 0.381 8.420 8.150 -0.185 0.000 0.495 217 F N 0.067 120.045 119.950 0.047 0.000 2.434 217 F HA 0.338 nan 4.527 nan 0.000 0.355 217 F C -1.075 174.861 175.800 0.227 0.000 1.115 217 F CA -1.412 56.657 58.000 0.116 0.000 1.010 217 F CB 2.102 41.170 39.000 0.114 0.000 1.234 217 F HN 0.610 8.993 8.300 0.138 0.000 0.439 218 L N 4.287 125.711 121.223 0.336 0.000 2.375 218 L HA 0.396 nan 4.340 nan 0.000 0.271 218 L C -1.626 175.444 176.870 0.333 0.000 1.107 218 L CA -2.203 52.831 54.840 0.323 0.000 0.806 218 L CB 0.032 42.189 42.059 0.162 0.000 1.146 218 L HN 0.979 9.235 8.230 0.213 0.102 0.447 219 P HA 0.545 nan 4.420 nan 0.000 0.284 219 P C -1.516 175.745 177.300 -0.064 0.000 1.292 219 P CA -0.857 62.152 63.100 -0.152 0.000 0.800 219 P CB 1.350 32.793 31.700 -0.429 0.000 1.188 220 D N -1.927 118.405 120.400 -0.115 0.000 4.461 220 D HA 0.103 nan 4.640 nan 0.000 0.353 220 D C -0.989 175.266 176.300 -0.074 0.000 1.668 220 D CA -0.349 53.617 54.000 -0.058 0.000 0.985 220 D CB 1.381 42.169 40.800 -0.020 0.000 1.496 220 D HN -0.078 8.173 8.370 -0.198 0.000 0.647 221 S N 0.559 116.231 115.700 -0.047 0.000 2.515 221 S HA -0.065 nan 4.470 nan 0.000 0.285 221 S C -0.072 174.493 174.600 -0.057 0.000 1.265 221 S CA 1.568 59.742 58.200 -0.044 0.000 1.079 221 S CB 0.290 63.474 63.200 -0.026 0.000 0.877 221 S HN 0.161 8.453 8.310 -0.030 0.000 0.493 222 T N 2.113 116.629 114.554 -0.064 0.000 0.541 222 T HA -0.203 nan 4.350 nan 0.000 0.774 222 T C 0.250 174.882 174.700 -0.114 0.000 0.992 222 T CA -0.195 61.864 62.100 -0.068 0.000 4.077 222 T CB 0.115 68.957 68.868 -0.044 0.000 2.303 222 T HN 0.234 8.439 8.240 -0.059 0.000 0.398 223 G N 0.652 109.388 108.800 -0.107 0.000 2.661 223 G HA2 -0.052 nan 3.960 nan 0.000 0.292 223 G HA3 -0.052 nan 3.960 nan 0.000 0.292 223 G C -1.094 173.728 174.900 -0.130 0.000 0.781 223 G CA 0.181 45.187 45.100 -0.157 0.000 1.860 223 G HN 0.320 8.568 8.290 -0.071 0.000 0.512 224 S N 6.302 121.884 115.700 -0.197 0.000 2.431 224 S HA -0.027 nan 4.470 nan 0.000 0.210 224 S C 0.137 174.762 174.600 0.042 0.000 1.013 224 S CA -0.142 58.015 58.200 -0.072 0.000 0.920 224 S CB 1.046 64.218 63.200 -0.047 0.000 0.882 224 S HN -0.213 7.898 8.310 -0.296 0.021 0.567 225 F N -2.775 117.222 119.950 0.078 0.000 3.074 225 F HA -0.207 nan 4.527 nan 0.000 0.287 225 F C -0.919 174.998 175.800 0.195 0.000 0.932 225 F CA 0.488 58.566 58.000 0.131 0.000 0.995 225 F CB -1.965 37.091 39.000 0.092 0.000 0.966 225 F HN 0.120 8.279 8.300 -0.236 0.000 0.721 226 T N -8.358 106.398 114.554 0.336 0.000 3.231 226 T HA 0.140 nan 4.350 nan 0.000 0.292 226 T C 0.093 174.990 174.700 0.329 0.000 1.001 226 T CA -0.616 61.694 62.100 0.349 0.000 0.920 226 T CB 1.301 70.273 68.868 0.175 0.000 1.140 226 T HN -0.365 7.995 8.240 0.220 0.011 0.525 227 R N 3.174 123.845 120.500 0.285 0.000 2.296 227 R HA 0.163 nan 4.340 nan 0.000 0.327 227 R C -0.795 175.579 176.300 0.124 0.000 1.137 227 R CA -1.134 55.066 56.100 0.168 0.000 1.020 227 R CB 0.319 30.691 30.300 0.120 0.000 1.110 227 R HN 0.322 8.682 8.270 0.316 0.099 0.499 228 R N 5.269 125.809 120.500 0.066 0.000 2.995 228 R HA 0.132 nan 4.340 nan 0.000 0.287 228 R C -1.169 175.036 176.300 -0.158 0.000 1.168 228 R CA 1.073 57.051 56.100 -0.204 0.000 1.183 228 R CB 0.787 31.015 30.300 -0.119 0.000 1.157 228 R HN -0.184 8.164 8.270 0.130 0.000 0.577 229 L N -1.369 119.721 121.223 -0.222 0.000 2.466 229 L HA 0.190 nan 4.340 nan 0.000 0.258 229 L C -1.555 175.265 176.870 -0.084 0.000 0.973 229 L CA -1.432 53.350 54.840 -0.097 0.000 0.826 229 L CB 2.823 44.830 42.059 -0.087 0.000 1.372 229 L HN 0.214 8.229 8.230 -0.359 0.000 0.409 230 E N 4.656 124.849 120.200 -0.012 0.000 2.502 230 E HA -0.036 nan 4.350 nan 0.000 0.261 230 E C -1.864 174.720 176.600 -0.027 0.000 0.974 230 E CA -0.236 56.155 56.400 -0.014 0.000 0.936 230 E CB 0.369 30.072 29.700 0.005 0.000 0.926 230 E HN 0.322 8.700 8.360 0.030 0.000 0.459 231 P HA -0.028 nan 4.420 nan 0.000 0.271 231 P C -1.463 175.836 177.300 -0.002 0.000 1.216 231 P CA -0.114 62.973 63.100 -0.020 0.000 0.776 231 P CB 0.502 32.185 31.700 -0.028 0.000 0.881 232 V N 5.625 125.567 119.914 0.047 0.000 2.357 232 V HA 0.209 nan 4.120 nan 0.000 0.284 232 V C -1.123 175.038 176.094 0.112 0.000 1.018 232 V CA -0.662 61.691 62.300 0.088 0.000 0.841 232 V CB 1.637 33.544 31.823 0.140 0.000 0.991 232 V HN 0.517 8.751 8.190 0.072 0.000 0.437 233 V N 8.017 127.954 119.914 0.038 0.000 2.350 233 V HA 0.417 nan 4.120 nan 0.000 0.276 233 V C -0.262 175.855 176.094 0.037 0.000 1.028 233 V CA -1.276 61.014 62.300 -0.017 0.000 0.860 233 V CB 0.073 31.860 31.823 -0.060 0.000 0.990 233 V HN 0.403 8.604 8.190 0.018 0.000 0.453 234 S N 8.879 124.617 115.700 0.064 0.000 2.587 234 S HA 0.184 nan 4.470 nan 0.000 0.252 234 S C -0.303 174.304 174.600 0.012 0.000 1.282 234 S CA 0.225 58.493 58.200 0.115 0.000 0.977 234 S CB 1.186 64.506 63.200 0.201 0.000 1.015 234 S HN 0.634 8.809 8.310 -0.044 0.109 0.557 235 D N -0.451 119.954 120.400 0.008 0.000 2.387 235 D HA 0.064 nan 4.640 nan 0.000 0.251 235 D C -0.600 175.649 176.300 -0.085 0.000 1.141 235 D CA 0.141 54.128 54.000 -0.023 0.000 0.987 235 D CB 1.776 42.578 40.800 0.004 0.000 1.116 235 D HN -0.285 8.336 8.370 0.036 -0.230 0.491 236 A N -1.176 121.571 122.820 -0.122 0.000 2.454 236 A HA 0.091 nan 4.320 nan 0.000 0.260 236 A C -0.308 177.027 177.584 -0.414 0.000 1.106 236 A CA 0.021 51.870 52.037 -0.314 0.000 0.780 236 A CB 0.622 19.393 19.000 -0.382 0.000 1.044 236 A HN 0.353 8.466 8.150 -0.062 0.000 0.498 237 I N 4.095 124.429 120.570 -0.393 0.000 2.362 237 I HA 0.169 nan 4.170 nan 0.000 0.289 237 I C -1.381 174.602 176.117 -0.223 0.000 0.994 237 I CA -0.797 60.397 61.300 -0.178 0.000 1.158 237 I CB 1.304 39.299 38.000 -0.009 0.000 1.315 237 I HN 0.793 8.793 8.210 -0.350 0.000 0.451 238 Y N 6.956 127.321 120.300 0.108 0.000 2.361 238 Y HA 0.156 nan 4.550 nan 0.000 0.332 238 Y C -0.723 175.096 175.900 -0.134 0.000 1.101 238 Y CA -1.145 56.965 58.100 0.018 0.000 1.137 238 Y CB 1.329 39.784 38.460 -0.009 0.000 1.207 238 Y HN -0.224 8.152 8.280 0.160 0.000 0.463 239 D N 1.766 121.979 120.400 -0.312 0.000 2.383 239 D HA 0.030 nan 4.640 nan 0.000 0.252 239 D C 1.521 177.646 176.300 -0.292 0.000 1.166 239 D CA -0.527 53.007 54.000 -0.778 0.000 0.879 239 D CB 1.287 41.349 40.800 -1.231 0.000 1.164 239 D HN -0.120 8.128 8.370 -0.204 0.000 0.462 240 S N 7.401 122.969 115.700 -0.220 0.000 2.382 240 S HA -0.256 nan 4.470 nan 0.000 0.228 240 S C 1.366 175.911 174.600 -0.092 0.000 1.027 240 S CA 2.827 60.968 58.200 -0.098 0.000 0.991 240 S CB 0.238 63.400 63.200 -0.063 0.000 0.823 240 S HN 0.608 8.661 8.310 -0.258 0.102 0.469 241 K N -0.474 119.855 120.400 -0.119 0.000 2.555 241 K HA -0.062 nan 4.320 nan 0.000 0.193 241 K C -0.555 176.026 176.600 -0.032 0.000 1.032 241 K CA -0.790 55.465 56.287 -0.052 0.000 1.004 241 K CB -0.466 32.022 32.500 -0.020 0.000 0.804 241 K HN -0.673 7.677 8.250 -0.188 -0.213 0.496 242 A N -0.084 122.699 122.820 -0.061 0.000 2.409 242 A HA 0.442 nan 4.320 nan 0.000 0.262 242 A C -1.481 176.089 177.584 -0.024 0.000 1.113 242 A CA -2.406 49.617 52.037 -0.023 0.000 0.790 242 A CB 0.014 18.997 19.000 -0.027 0.000 1.046 242 A HN -0.577 7.300 8.150 -0.102 0.212 0.496 243 P HA -0.222 nan 4.420 nan 0.000 0.219 243 P C -0.820 176.448 177.300 -0.053 0.000 1.144 243 P CA 2.221 65.300 63.100 -0.036 0.000 0.806 243 P CB 0.128 31.812 31.700 -0.028 0.000 0.771 244 N N -6.921 111.750 118.700 -0.048 0.000 2.282 244 N HA 0.041 nan 4.740 nan 0.000 0.240 244 N C -1.201 174.256 175.510 -0.088 0.000 1.182 244 N CA -0.982 52.028 53.050 -0.067 0.000 0.874 244 N CB -1.230 37.219 38.487 -0.063 0.000 1.126 244 N HN -0.185 8.116 8.380 -0.033 0.059 0.516 245 A N -0.799 121.979 122.820 -0.071 0.000 2.716 245 A HA 0.199 nan 4.320 nan 0.000 0.252 245 A C -0.271 177.283 177.584 -0.049 0.000 1.144 245 A CA -0.236 51.756 52.037 -0.074 0.000 0.995 245 A CB 1.162 20.133 19.000 -0.048 0.000 1.252 245 A HN -0.027 7.943 8.150 -0.057 0.145 0.593 246 S N 0.904 116.575 115.700 -0.048 0.000 2.596 246 S HA -0.123 nan 4.470 nan 0.000 0.260 246 S C -0.280 174.302 174.600 -0.030 0.000 1.336 246 S CA -0.314 57.865 58.200 -0.035 0.000 0.993 246 S CB 0.773 63.953 63.200 -0.033 0.000 0.923 246 S HN -0.572 7.705 8.310 -0.055 0.000 0.567 247 N N 0.981 119.671 118.700 -0.017 0.000 2.402 247 N HA -0.026 nan 4.740 nan 0.000 0.252 247 N C -1.106 174.395 175.510 -0.014 0.000 1.118 247 N CA -0.293 52.749 53.050 -0.013 0.000 0.945 247 N CB 0.174 38.660 38.487 -0.001 0.000 1.147 247 N HN 0.212 8.586 8.380 -0.010 0.000 0.495 248 L N 4.908 126.115 121.223 -0.026 0.000 2.514 248 L HA -0.124 nan 4.340 nan 0.000 0.280 248 L C -1.427 175.434 176.870 -0.016 0.000 1.223 248 L CA 0.522 55.345 54.840 -0.029 0.000 0.864 248 L CB 0.232 42.267 42.059 -0.039 0.000 1.118 248 L HN 0.357 8.569 8.230 -0.031 0.000 0.494 249 K N 2.055 122.449 120.400 -0.010 0.000 2.575 249 K HA 0.200 nan 4.320 nan 0.000 0.255 249 K C -1.765 174.839 176.600 0.006 0.000 0.953 249 K CA -0.339 55.949 56.287 0.003 0.000 0.840 249 K CB 3.010 35.520 32.500 0.017 0.000 1.303 249 K HN 0.009 8.250 8.250 -0.016 0.000 0.438 250 I N 6.308 126.880 120.570 0.003 0.000 2.371 250 I HA 0.194 nan 4.170 nan 0.000 0.290 250 I C -0.370 175.762 176.117 0.026 0.000 1.028 250 I CA 0.515 61.819 61.300 0.006 0.000 1.345 250 I CB 0.531 38.527 38.000 -0.006 0.000 1.407 250 I HN 0.538 8.750 8.210 0.003 0.000 0.501 251 V N 7.238 127.176 119.914 0.039 0.000 2.521 251 V HA 0.010 nan 4.120 nan 0.000 0.239 251 V C 0.139 176.260 176.094 0.044 0.000 1.053 251 V CA 1.570 63.896 62.300 0.043 0.000 1.073 251 V CB 0.721 32.575 31.823 0.052 0.000 0.746 251 V HN 0.723 8.939 8.190 0.043 0.000 0.476 252 R N -4.160 116.373 120.500 0.054 0.000 2.774 252 R HA 0.410 nan 4.340 nan 0.000 0.272 252 R C -2.339 174.006 176.300 0.076 0.000 1.000 252 R CA -0.704 55.431 56.100 0.058 0.000 0.906 252 R CB 4.392 34.725 30.300 0.056 0.000 1.227 252 R HN -0.488 7.817 8.270 0.059 0.000 0.468 253 M N 0.830 120.477 119.600 0.078 0.000 2.457 253 M HA 0.214 nan 4.480 nan 0.000 0.300 253 M C -1.145 175.205 176.300 0.083 0.000 1.141 253 M CA -0.992 54.367 55.300 0.100 0.000 0.901 253 M CB 2.428 35.094 32.600 0.111 0.000 1.687 253 M HN 0.210 8.540 8.290 0.066 0.000 0.449 254 D N 3.227 123.680 120.400 0.088 0.000 2.078 254 D HA -0.166 nan 4.640 nan 0.000 0.193 254 D C -0.450 175.867 176.300 0.028 0.000 0.990 254 D CA 2.290 56.314 54.000 0.040 0.000 0.827 254 D CB 0.976 41.800 40.800 0.040 0.000 0.975 254 D HN 0.106 8.547 8.370 0.118 0.000 0.451 255 R N -1.340 119.197 120.500 0.061 0.000 2.502 255 R HA 0.296 nan 4.340 nan 0.000 0.300 255 R C -1.295 175.136 176.300 0.218 0.000 0.984 255 R CA -0.132 56.024 56.100 0.094 0.000 0.882 255 R CB 2.175 32.516 30.300 0.069 0.000 1.180 255 R HN -0.348 7.965 8.270 0.072 0.000 0.444 256 T N 0.205 114.878 114.554 0.199 0.000 3.145 256 T HA 0.118 nan 4.350 nan 0.000 0.255 256 T C -1.287 173.495 174.700 0.136 0.000 1.039 256 T CA -0.634 61.632 62.100 0.276 0.000 0.928 256 T CB -0.255 68.693 68.868 0.134 0.000 1.029 256 T HN 0.463 8.772 8.240 0.114 0.000 0.554 257 A N -0.608 122.216 122.820 0.007 0.000 2.604 257 A HA 0.718 nan 4.320 nan 0.000 0.295 257 A C -2.418 175.023 177.584 -0.239 0.000 1.067 257 A CA -0.456 51.291 52.037 -0.483 0.000 0.683 257 A CB 2.422 21.392 19.000 -0.051 0.000 1.281 257 A HN -0.730 7.463 8.150 0.172 0.061 0.407 258 G N -1.723 106.889 108.800 -0.312 0.000 2.815 258 G HA2 0.498 nan 3.960 nan 0.000 0.305 258 G HA3 0.498 nan 3.960 nan 0.000 0.305 258 G C -2.762 172.210 174.900 0.121 0.000 1.277 258 G CA -1.159 43.950 45.100 0.016 0.000 0.795 258 G HN 0.117 8.084 8.290 -0.538 0.000 0.528 259 C N 0.253 119.660 119.300 0.179 0.000 2.365 259 C HA 0.580 nan 4.460 nan 0.000 0.351 259 C C 1.164 176.357 174.990 0.339 0.000 1.240 259 C CA -0.861 58.277 59.018 0.201 0.000 2.062 259 C CB 0.711 28.516 27.740 0.108 0.000 2.387 259 C HN -0.100 8.549 8.230 0.175 -0.314 0.537 260 V N 5.204 125.280 119.914 0.270 0.000 2.568 260 V HA -0.237 nan 4.120 nan 0.000 0.253 260 V C 0.788 176.911 176.094 0.047 0.000 1.072 260 V CA 2.782 65.154 62.300 0.120 0.000 1.084 260 V CB -0.468 31.371 31.823 0.026 0.000 0.676 260 V HN 0.234 8.554 8.190 0.217 0.000 0.469 261 T N -3.240 111.369 114.554 0.091 0.000 3.945 261 T HA 0.216 nan 4.350 nan 0.000 0.306 261 T C 0.659 175.431 174.700 0.119 0.000 1.475 261 T CA -2.329 59.812 62.100 0.068 0.000 1.177 261 T CB -1.816 67.082 68.868 0.050 0.000 1.272 261 T HN -0.691 7.588 8.240 0.106 0.024 0.930 262 G N 1.515 110.420 108.800 0.174 0.000 2.794 262 G HA2 -0.292 nan 3.960 nan 0.000 0.249 262 G HA3 -0.292 nan 3.960 nan 0.000 0.249 262 G C -0.302 174.673 174.900 0.125 0.000 1.236 262 G CA 0.039 45.264 45.100 0.209 0.000 0.880 262 G HN -0.367 7.955 8.290 0.150 0.058 0.586 263 G N -1.809 107.055 108.800 0.106 0.000 2.174 263 G HA2 -0.293 nan 3.960 nan 0.000 0.140 263 G HA3 -0.293 nan 3.960 nan 0.000 0.140 263 G C -1.017 173.919 174.900 0.060 0.000 1.031 263 G CA -0.395 44.755 45.100 0.083 0.000 0.728 263 G HN 0.020 8.322 8.290 0.109 0.054 0.496 264 E N 0.235 120.467 120.200 0.053 0.000 2.266 264 E HA 0.147 nan 4.350 nan 0.000 0.277 264 E C -1.014 175.559 176.600 -0.044 0.000 1.018 264 E CA -1.162 55.251 56.400 0.022 0.000 0.840 264 E CB 1.962 31.691 29.700 0.048 0.000 1.082 264 E HN -0.472 7.933 8.360 0.074 0.000 0.395 265 E N 4.325 124.492 120.200 -0.056 0.000 2.289 265 E HA 0.339 nan 4.350 nan 0.000 0.278 265 E C -0.851 175.640 176.600 -0.182 0.000 1.032 265 E CA -0.309 56.021 56.400 -0.116 0.000 0.854 265 E CB 0.845 30.540 29.700 -0.008 0.000 1.046 265 E HN 0.284 8.630 8.360 -0.024 0.000 0.409 266 I N 5.867 126.171 120.570 -0.444 0.000 2.689 266 I HA 0.226 nan 4.170 nan 0.000 0.299 266 I C -1.813 174.234 176.117 -0.117 0.000 1.059 266 I CA -1.458 59.616 61.300 -0.376 0.000 1.055 266 I CB 4.068 41.656 38.000 -0.688 0.000 1.243 266 I HN 1.036 8.708 8.210 -0.702 0.116 0.425 267 Y N 3.896 124.110 120.300 -0.143 0.000 2.342 267 Y HA 0.501 nan 4.550 nan 0.000 0.338 267 Y C -1.743 174.184 175.900 0.044 0.000 0.965 267 Y CA -1.444 56.635 58.100 -0.036 0.000 1.159 267 Y CB 0.483 38.922 38.460 -0.035 0.000 1.157 267 Y HN 0.273 8.800 8.280 0.195 -0.130 0.486 268 L N 4.149 125.477 121.223 0.174 0.000 2.325 268 L HA 0.653 nan 4.340 nan 0.000 0.281 268 L C -2.043 174.881 176.870 0.090 0.000 1.004 268 L CA -1.495 53.444 54.840 0.164 0.000 0.823 268 L CB 3.141 45.334 42.059 0.223 0.000 1.236 268 L HN 0.963 9.144 8.230 0.094 0.105 0.415 269 L N 5.792 127.072 121.223 0.096 0.000 2.257 269 L HA 0.480 nan 4.340 nan 0.000 0.290 269 L C -1.289 175.632 176.870 0.084 0.000 1.044 269 L CA -0.856 54.042 54.840 0.097 0.000 0.810 269 L CB -0.530 41.586 42.059 0.096 0.000 1.193 269 L HN 0.014 8.305 8.230 0.103 0.000 0.425 270 C N 2.135 121.493 119.300 0.096 0.000 2.973 270 C HA 0.736 nan 4.460 nan 0.000 0.329 270 C C -0.638 174.448 174.990 0.160 0.000 1.327 270 C CA -3.200 55.863 59.018 0.075 0.000 1.632 270 C CB 2.911 30.651 27.740 0.001 0.000 2.098 270 C HN 0.130 8.321 8.230 0.122 0.112 0.469 271 D N 1.317 121.786 120.400 0.115 0.000 2.423 271 D HA 0.115 nan 4.640 nan 0.000 0.255 271 D C 0.138 176.430 176.300 -0.013 0.000 1.174 271 D CA -0.448 53.659 54.000 0.179 0.000 1.008 271 D CB 1.147 42.010 40.800 0.105 0.000 1.101 271 D HN 0.100 8.505 8.370 0.059 0.000 0.516 272 K N 0.063 120.387 120.400 -0.127 0.000 2.504 272 K HA -0.200 nan 4.320 nan 0.000 0.278 272 K C -0.566 175.868 176.600 -0.277 0.000 1.025 272 K CA 1.383 57.390 56.287 -0.467 0.000 1.093 272 K CB -0.130 32.161 32.500 -0.349 0.000 0.873 272 K HN 0.060 8.387 8.250 0.129 0.000 0.483 273 V N -1.225 118.506 119.914 -0.305 0.000 3.119 273 V HA 0.457 nan 4.120 nan 0.000 0.311 273 V C -1.890 174.104 176.094 -0.166 0.000 1.259 273 V CA -3.219 58.975 62.300 -0.177 0.000 1.067 273 V CB 2.984 34.729 31.823 -0.131 0.000 1.123 273 V HN -0.282 7.646 8.190 -0.437 0.000 0.463 274 Q N 0.029 119.768 119.800 -0.101 0.000 2.309 274 Q HA 0.353 nan 4.340 nan 0.000 0.270 274 Q C 0.778 176.756 176.000 -0.036 0.000 1.023 274 Q CA -1.533 54.222 55.803 -0.079 0.000 0.758 274 Q CB 2.331 31.029 28.738 -0.067 0.000 1.247 274 Q HN 0.288 8.510 8.270 -0.081 0.000 0.455 275 K N 5.936 126.323 120.400 -0.022 0.000 2.304 275 K HA -0.376 nan 4.320 nan 0.000 0.204 275 K C 0.099 176.721 176.600 0.037 0.000 1.044 275 K CA 2.836 59.144 56.287 0.034 0.000 0.932 275 K CB -0.347 32.174 32.500 0.035 0.000 0.735 275 K HN 0.756 8.979 8.250 -0.046 0.000 0.468 276 D N -2.233 118.165 120.400 -0.002 0.000 2.369 276 D HA 0.096 nan 4.640 nan 0.000 0.211 276 D C -0.214 176.066 176.300 -0.034 0.000 1.077 276 D CA 0.867 54.854 54.000 -0.021 0.000 0.842 276 D CB -0.009 40.775 40.800 -0.028 0.000 0.947 276 D HN -0.228 8.096 8.370 -0.015 0.038 0.509 277 D N -0.860 119.525 120.400 -0.025 0.000 2.895 277 D HA 0.185 nan 4.640 nan 0.000 0.350 277 D C -1.685 174.602 176.300 -0.021 0.000 1.389 277 D CA -0.500 53.477 54.000 -0.038 0.000 0.812 277 D CB 0.780 41.550 40.800 -0.049 0.000 1.164 277 D HN 0.096 8.284 8.370 -0.013 0.174 0.455 278 I N -1.185 119.397 120.570 0.019 0.000 2.802 278 I HA 0.443 nan 4.170 nan 0.000 0.298 278 I C -2.534 173.674 176.117 0.152 0.000 1.176 278 I CA -1.367 59.973 61.300 0.067 0.000 1.025 278 I CB 3.816 41.859 38.000 0.072 0.000 1.243 278 I HN -0.567 7.658 8.210 0.025 0.000 0.424 279 Q N 5.242 125.131 119.800 0.149 0.000 2.462 279 Q HA 0.368 nan 4.340 nan 0.000 0.285 279 Q C -2.414 173.713 176.000 0.211 0.000 1.035 279 Q CA -2.194 53.741 55.803 0.220 0.000 0.799 279 Q CB 4.089 32.865 28.738 0.065 0.000 1.452 279 Q HN 0.167 8.490 8.270 0.089 0.000 0.404 280 I N -0.461 120.272 120.570 0.272 0.000 2.418 280 I HA 0.610 nan 4.170 nan 0.000 0.287 280 I C -2.444 173.775 176.117 0.170 0.000 1.008 280 I CA -1.994 59.340 61.300 0.057 0.000 1.104 280 I CB 2.607 40.426 38.000 -0.303 0.000 1.264 280 I HN 0.510 8.970 8.210 0.418 0.000 0.438 281 R N 8.027 128.553 120.500 0.043 0.000 2.338 281 R HA 0.606 nan 4.340 nan 0.000 0.317 281 R C -1.561 174.749 176.300 0.018 0.000 0.968 281 R CA -1.670 54.373 56.100 -0.095 0.000 0.849 281 R CB 2.974 33.201 30.300 -0.121 0.000 1.128 281 R HN 0.994 9.153 8.270 -0.003 0.109 0.448 282 F N 6.168 126.025 119.950 -0.155 0.000 2.411 282 F HA 0.568 nan 4.527 nan 0.000 0.352 282 F C -1.420 174.372 175.800 -0.013 0.000 1.123 282 F CA -0.985 57.027 58.000 0.021 0.000 1.044 282 F CB 1.027 40.105 39.000 0.130 0.000 1.135 282 F HN 1.009 9.229 8.300 0.051 0.112 0.461 283 Y N 0.578 120.962 120.300 0.141 0.000 2.677 283 Y HA 0.915 nan 4.550 nan 0.000 0.334 283 Y C -3.065 173.045 175.900 0.350 0.000 1.154 283 Y CA -2.858 55.306 58.100 0.106 0.000 1.070 283 Y CB 2.839 41.300 38.460 0.002 0.000 1.294 283 Y HN 1.138 9.325 8.280 0.037 0.115 0.475 284 E N -1.443 118.964 120.200 0.344 0.000 2.430 284 E HA 0.199 nan 4.350 nan 0.000 0.279 284 E C -1.147 175.655 176.600 0.338 0.000 1.003 284 E CA -1.060 55.527 56.400 0.312 0.000 0.801 284 E CB 3.197 33.098 29.700 0.335 0.000 1.313 284 E HN -0.032 8.587 8.360 0.433 0.000 0.459 285 E N 0.436 120.815 120.200 0.298 0.000 2.354 285 E HA 0.027 nan 4.350 nan 0.000 0.269 285 E C -0.799 175.916 176.600 0.192 0.000 1.036 285 E CA 0.205 56.748 56.400 0.238 0.000 0.876 285 E CB 0.337 30.168 29.700 0.218 0.000 1.009 285 E HN 0.320 8.858 8.360 0.297 0.000 0.416 286 E N 1.359 121.653 120.200 0.158 0.000 2.402 286 E HA 0.076 nan 4.350 nan 0.000 0.270 286 E C -1.085 175.575 176.600 0.099 0.000 1.131 286 E CA -0.192 56.285 56.400 0.129 0.000 0.884 286 E CB 0.833 30.622 29.700 0.149 0.000 1.564 286 E HN 0.070 8.519 8.360 0.149 0.000 0.456 287 E N -0.049 120.200 120.200 0.081 0.000 4.034 287 E HA 0.090 nan 4.350 nan 0.000 0.297 287 E C -1.070 175.567 176.600 0.062 0.000 1.372 287 E CA -0.438 56.000 56.400 0.063 0.000 1.555 287 E CB 0.475 30.205 29.700 0.050 0.000 1.488 287 E HN 0.009 8.418 8.360 0.082 0.000 0.782 288 N N -1.201 117.528 118.700 0.048 0.000 2.458 288 N HA -0.128 nan 4.740 nan 0.000 0.258 288 N C -0.209 175.330 175.510 0.048 0.000 1.219 288 N CA 0.537 53.613 53.050 0.044 0.000 0.902 288 N CB 0.376 38.883 38.487 0.034 0.000 1.076 288 N HN -0.316 8.090 8.380 0.043 0.000 0.455 289 G N 1.446 110.275 108.800 0.048 0.000 2.674 289 G HA2 -0.193 nan 3.960 nan 0.000 0.686 289 G HA3 -0.193 nan 3.960 nan 0.000 0.686 289 G C -0.972 173.968 174.900 0.066 0.000 1.195 289 G CA -0.856 44.275 45.100 0.052 0.000 0.776 289 G HN 0.186 8.503 8.290 0.045 0.000 0.654 290 G N -0.073 108.766 108.800 0.064 0.000 2.428 290 G HA2 0.035 nan 3.960 nan 0.000 0.293 290 G HA3 0.035 nan 3.960 nan 0.000 0.293 290 G C -0.535 174.428 174.900 0.105 0.000 1.059 290 G CA -0.213 44.932 45.100 0.075 0.000 1.194 290 G HN -0.046 8.277 8.290 0.055 0.000 0.435 291 V N 3.547 123.545 119.914 0.140 0.000 2.597 291 V HA 0.019 nan 4.120 nan 0.000 0.220 291 V C -0.202 176.081 176.094 0.316 0.000 1.134 291 V CA 0.177 62.596 62.300 0.198 0.000 1.159 291 V CB 0.579 32.523 31.823 0.203 0.000 0.788 291 V HN 0.130 8.400 8.190 0.133 0.000 0.502 292 W N 1.494 122.877 121.300 0.139 0.000 2.532 292 W HA 0.188 nan 4.660 nan 0.000 0.321 292 W C -2.274 174.343 176.519 0.163 0.000 1.037 292 W CA -0.965 56.482 57.345 0.170 0.000 1.220 292 W CB 1.933 31.557 29.460 0.274 0.000 1.361 292 W HN -0.146 8.266 8.180 0.386 0.000 0.468 293 E N 6.044 125.714 120.200 -0.883 0.000 2.349 293 E HA 0.317 nan 4.350 nan 0.000 0.290 293 E C -1.850 173.964 176.600 -1.310 0.000 0.901 293 E CA -0.064 55.810 56.400 -0.876 0.000 0.800 293 E CB 2.896 32.364 29.700 -0.387 0.000 1.303 293 E HN -0.041 7.736 8.360 -0.973 0.000 0.397 294 G N 3.103 111.097 108.800 -1.343 0.000 2.524 294 G HA2 0.335 nan 3.960 nan 0.000 0.310 294 G HA3 0.335 nan 3.960 nan 0.000 0.310 294 G C -2.612 171.904 174.900 -0.640 0.000 1.279 294 G CA -1.094 43.474 45.100 -0.886 0.000 0.974 294 G HN 0.745 8.288 8.290 -1.063 0.108 0.484 295 F N 0.082 120.039 119.950 0.011 0.000 2.469 295 F HA 0.525 nan 4.527 nan 0.000 0.332 295 F C 0.930 176.836 175.800 0.177 0.000 1.103 295 F CA -2.319 55.749 58.000 0.115 0.000 0.979 295 F CB 1.796 40.817 39.000 0.036 0.000 1.137 295 F HN -0.405 7.945 8.300 0.084 0.000 0.463 296 G N 1.988 111.061 108.800 0.454 0.000 2.484 296 G HA2 -0.206 nan 3.960 nan 0.000 0.235 296 G HA3 -0.206 nan 3.960 nan 0.000 0.235 296 G C -1.839 173.359 174.900 0.497 0.000 1.282 296 G CA 0.213 45.612 45.100 0.497 0.000 0.857 296 G HN 0.717 9.177 8.290 0.467 0.110 0.571 297 D N 4.380 125.078 120.400 0.497 0.000 2.380 297 D HA 0.297 nan 4.640 nan 0.000 0.230 297 D C -1.320 175.265 176.300 0.475 0.000 1.154 297 D CA -1.018 53.195 54.000 0.354 0.000 0.859 297 D CB 0.661 41.603 40.800 0.237 0.000 1.045 297 D HN 0.223 8.806 8.370 0.531 0.106 0.495 298 F N 1.633 121.670 119.950 0.145 0.000 2.842 298 F HA 0.457 nan 4.527 nan 0.000 0.319 298 F C -2.589 173.251 175.800 0.065 0.000 1.159 298 F CA -1.371 56.698 58.000 0.116 0.000 0.902 298 F CB 1.893 40.986 39.000 0.155 0.000 1.311 298 F HN -0.606 7.676 8.300 -0.029 0.000 0.453 299 S N 0.290 116.047 115.700 0.096 0.000 2.677 299 S HA 0.657 nan 4.470 nan 0.000 0.304 299 S C -0.687 174.007 174.600 0.157 0.000 1.108 299 S CA -2.841 55.335 58.200 -0.040 0.000 0.944 299 S CB 2.201 65.403 63.200 0.004 0.000 1.127 299 S HN 0.095 8.899 8.310 0.312 -0.307 0.511 300 P HA -0.142 nan 4.420 nan 0.000 0.218 300 P C 0.727 178.104 177.300 0.129 0.000 1.146 300 P CA 2.396 65.572 63.100 0.125 0.000 0.813 300 P CB -0.225 31.499 31.700 0.041 0.000 0.778 301 T N -2.602 112.014 114.554 0.104 0.000 3.051 301 T HA -0.193 nan 4.350 nan 0.000 0.269 301 T C 0.847 175.609 174.700 0.103 0.000 1.127 301 T CA 2.321 64.472 62.100 0.085 0.000 1.107 301 T CB -1.107 67.801 68.868 0.066 0.000 0.898 301 T HN -0.092 8.180 8.240 0.084 0.018 0.517 302 D N -0.536 119.958 120.400 0.156 0.000 2.350 302 D HA 0.230 nan 4.640 nan 0.000 0.213 302 D C -0.290 176.047 176.300 0.061 0.000 1.031 302 D CA 0.817 54.889 54.000 0.121 0.000 0.861 302 D CB 1.008 41.922 40.800 0.190 0.000 0.926 302 D HN -0.042 8.287 8.370 0.225 0.177 0.520 303 V N 0.036 120.002 119.914 0.086 0.000 2.427 303 V HA 0.023 nan 4.120 nan 0.000 0.268 303 V C -0.906 175.220 176.094 0.054 0.000 1.046 303 V CA -0.238 62.076 62.300 0.023 0.000 0.970 303 V CB -0.979 30.862 31.823 0.030 0.000 1.001 303 V HN -0.490 7.622 8.190 0.140 0.162 0.476 304 H N 9.520 128.566 119.070 -0.041 0.000 2.690 304 H HA 0.204 nan 4.556 nan 0.000 0.289 304 H C -0.041 175.306 175.328 0.031 0.000 1.089 304 H CA -0.574 55.468 56.048 -0.010 0.000 1.299 304 H CB 0.719 30.463 29.762 -0.030 0.000 1.405 304 H HN 0.994 9.230 8.280 0.111 0.110 0.463 305 R N 6.739 127.035 120.500 -0.340 0.000 3.516 305 R HA -0.391 nan 4.340 nan 0.000 0.271 305 R C -1.152 175.086 176.300 -0.104 0.000 1.098 305 R CA 0.560 56.510 56.100 -0.249 0.000 0.732 305 R CB -2.966 27.099 30.300 -0.392 0.000 1.152 305 R HN 0.993 9.123 8.270 -0.233 0.000 0.455 306 Q N -8.474 111.213 119.800 -0.187 0.000 2.332 306 Q HA -0.438 nan 4.340 nan 0.000 0.222 306 Q C -0.059 175.584 176.000 -0.596 0.000 0.758 306 Q CA 2.435 58.008 55.803 -0.383 0.000 1.355 306 Q CB -0.950 27.468 28.738 -0.532 0.000 1.705 306 Q HN 0.419 8.589 8.270 -0.142 0.015 0.638 307 F N -4.121 115.810 119.950 -0.031 0.000 2.825 307 F HA 0.089 nan 4.527 nan 0.000 0.322 307 F C -1.991 173.826 175.800 0.028 0.000 1.127 307 F CA -0.928 57.071 58.000 -0.003 0.000 1.164 307 F CB 1.660 40.662 39.000 0.003 0.000 1.101 307 F HN -0.483 7.796 8.300 0.066 0.061 0.529 308 A N -1.234 121.671 122.820 0.142 0.000 2.582 308 A HA 0.586 nan 4.320 nan 0.000 0.297 308 A C -2.623 174.957 177.584 -0.007 0.000 1.059 308 A CA 0.377 52.469 52.037 0.091 0.000 0.705 308 A CB 3.045 22.132 19.000 0.146 0.000 1.279 308 A HN -0.728 7.466 8.150 0.072 0.000 0.404 309 I N 0.687 121.210 120.570 -0.078 0.000 2.582 309 I HA 0.563 nan 4.170 nan 0.000 0.292 309 I C -1.545 174.502 176.117 -0.115 0.000 1.066 309 I CA -1.318 59.874 61.300 -0.181 0.000 1.053 309 I CB 3.795 41.560 38.000 -0.392 0.000 1.241 309 I HN 0.823 8.895 8.210 -0.039 0.115 0.421 310 V N 6.852 126.670 119.914 -0.161 0.000 2.328 310 V HA 0.576 nan 4.120 nan 0.000 0.278 310 V C -1.229 174.898 176.094 0.055 0.000 1.021 310 V CA -0.520 61.681 62.300 -0.165 0.000 0.838 310 V CB -0.542 31.069 31.823 -0.354 0.000 0.999 310 V HN -0.165 7.926 8.190 -0.166 0.000 0.447 311 F N 5.868 125.787 119.950 -0.052 0.000 2.691 311 F HA 0.616 nan 4.527 nan 0.000 0.334 311 F C -2.453 173.421 175.800 0.124 0.000 1.107 311 F CA -3.346 54.698 58.000 0.074 0.000 0.991 311 F CB 2.731 41.772 39.000 0.069 0.000 1.400 311 F HN 0.729 8.889 8.300 -0.234 0.000 0.503 312 K N -0.450 120.073 120.400 0.206 0.000 2.244 312 K HA 0.619 nan 4.320 nan 0.000 0.260 312 K C -0.476 176.257 176.600 0.223 0.000 0.951 312 K CA -2.214 54.130 56.287 0.095 0.000 0.826 312 K CB 2.525 35.108 32.500 0.139 0.000 1.108 312 K HN 0.070 8.489 8.250 0.463 0.108 0.433 313 T N 3.081 117.679 114.554 0.073 0.000 2.898 313 T HA 0.294 nan 4.350 nan 0.000 0.301 313 T C -1.434 173.253 174.700 -0.021 0.000 1.049 313 T CA -2.115 59.973 62.100 -0.021 0.000 1.095 313 T CB -0.844 67.990 68.868 -0.055 0.000 0.976 313 T HN 0.461 8.640 8.240 -0.006 0.058 0.539 314 P HA 0.245 nan 4.420 nan 0.000 0.283 314 P C -1.485 175.931 177.300 0.194 0.000 1.271 314 P CA -1.417 61.717 63.100 0.058 0.000 0.841 314 P CB 1.403 33.136 31.700 0.056 0.000 1.122 315 K N -1.025 119.469 120.400 0.157 0.000 2.090 315 K HA 0.254 nan 4.320 nan 0.000 0.250 315 K C -0.959 175.471 176.600 -0.283 0.000 1.004 315 K CA -0.309 55.971 56.287 -0.012 0.000 0.919 315 K CB 0.941 33.441 32.500 -0.000 0.000 1.045 315 K HN -0.191 8.166 8.250 0.177 0.000 0.471 316 Y N 2.504 122.272 120.300 -0.887 0.000 2.188 316 Y HA -0.141 nan 4.550 nan 0.000 0.360 316 Y C 0.349 175.596 175.900 -1.088 0.000 1.324 316 Y CA -0.841 56.418 58.100 -1.402 0.000 1.726 316 Y CB 0.675 38.460 38.460 -1.124 0.000 1.536 316 Y HN 0.084 8.042 8.280 -0.536 0.000 0.628 317 K N 0.660 120.529 120.400 -0.886 0.000 2.630 317 K HA -0.082 nan 4.320 nan 0.000 0.204 317 K C -1.733 174.667 176.600 -0.335 0.000 1.024 317 K CA 0.105 56.137 56.287 -0.424 0.000 1.157 317 K CB -0.811 31.548 32.500 -0.235 0.000 0.899 317 K HN 0.428 8.046 8.250 -1.053 0.000 0.501 318 D N -5.635 114.549 120.400 -0.359 0.000 4.113 318 D HA -0.014 nan 4.640 nan 0.000 0.322 318 D C -1.788 174.409 176.300 -0.172 0.000 1.576 318 D CA -0.823 53.025 54.000 -0.255 0.000 0.977 318 D CB 1.863 42.463 40.800 -0.334 0.000 1.429 318 D HN -0.706 7.305 8.370 -0.374 0.135 0.645 319 V N -5.305 114.525 119.914 -0.140 0.000 3.373 319 V HA 0.033 nan 4.120 nan 0.000 0.249 319 V C -1.168 174.886 176.094 -0.068 0.000 1.785 319 V CA 1.216 63.471 62.300 -0.076 0.000 0.924 319 V CB 0.618 32.413 31.823 -0.046 0.000 0.934 319 V HN -0.193 7.901 8.190 -0.160 0.000 0.388 320 N N 3.402 122.051 118.700 -0.085 0.000 2.747 320 N HA 0.038 nan 4.740 nan 0.000 0.252 320 N C -0.584 174.875 175.510 -0.085 0.000 1.352 320 N CA 1.053 54.059 53.050 -0.073 0.000 0.960 320 N CB -1.883 36.561 38.487 -0.071 0.000 1.303 320 N HN 0.569 8.891 8.380 -0.097 0.000 0.518 321 I N -5.079 115.442 120.570 -0.082 0.000 3.108 321 I HA 0.451 nan 4.170 nan 0.000 0.312 321 I C -1.315 174.775 176.117 -0.044 0.000 1.095 321 I CA -1.410 59.841 61.300 -0.082 0.000 1.000 321 I CB 2.801 40.726 38.000 -0.125 0.000 1.229 321 I HN -0.210 7.882 8.210 -0.066 0.078 0.454 322 T N 1.666 116.196 114.554 -0.039 0.000 2.876 322 T HA 0.223 nan 4.350 nan 0.000 0.289 322 T C -1.555 173.129 174.700 -0.027 0.000 1.014 322 T CA -0.545 61.541 62.100 -0.024 0.000 0.986 322 T CB 0.459 69.314 68.868 -0.023 0.000 1.021 322 T HN -0.010 8.200 8.240 -0.050 0.000 0.458 323 K N 4.114 124.499 120.400 -0.025 0.000 5.060 323 K HA -0.149 nan 4.320 nan 0.000 0.853 323 K C -2.896 173.668 176.600 -0.061 0.000 2.146 323 K CA -0.430 55.830 56.287 -0.046 0.000 1.596 323 K CB -0.101 32.374 32.500 -0.042 0.000 2.929 323 K HN 0.226 8.467 8.250 -0.015 0.000 0.155 324 P HA -0.109 nan 4.420 nan 0.000 0.264 324 P C -1.522 175.704 177.300 -0.123 0.000 1.183 324 P CA 0.355 63.323 63.100 -0.219 0.000 0.763 324 P CB 0.245 31.666 31.700 -0.466 0.000 0.807 325 A N 5.599 128.388 122.820 -0.051 0.000 2.291 325 A HA 0.397 nan 4.320 nan 0.000 0.311 325 A C -1.291 176.253 177.584 -0.068 0.000 1.224 325 A CA -1.512 50.535 52.037 0.017 0.000 0.821 325 A CB 1.995 21.153 19.000 0.263 0.000 1.172 325 A HN -0.049 8.077 8.150 -0.039 0.000 0.494 326 S N 4.369 120.002 115.700 -0.113 0.000 2.548 326 S HA 0.684 nan 4.470 nan 0.000 0.277 326 S C -0.261 174.224 174.600 -0.192 0.000 1.315 326 S CA -0.058 58.026 58.200 -0.193 0.000 1.050 326 S CB 0.601 63.659 63.200 -0.236 0.000 0.918 326 S HN 0.371 8.624 8.310 -0.095 0.000 0.497 327 V N -0.145 119.636 119.914 -0.222 0.000 3.119 327 V HA 0.911 nan 4.120 nan 0.000 0.311 327 V C -2.029 173.809 176.094 -0.427 0.000 1.259 327 V CA -2.424 59.776 62.300 -0.166 0.000 1.067 327 V CB 3.215 35.172 31.823 0.222 0.000 1.123 327 V HN 0.892 8.839 8.190 -0.226 0.108 0.463 328 F N -1.667 118.135 119.950 -0.246 0.000 2.563 328 F HA 0.748 nan 4.527 nan 0.000 0.316 328 F C -1.144 174.411 175.800 -0.407 0.000 1.076 328 F CA -1.580 56.158 58.000 -0.438 0.000 0.921 328 F CB 4.148 42.583 39.000 -0.943 0.000 1.209 328 F HN 0.467 8.694 8.300 -0.121 0.000 0.462 329 V N 1.714 121.558 119.914 -0.117 0.000 2.628 329 V HA 0.708 nan 4.120 nan 0.000 0.306 329 V C -1.938 174.123 176.094 -0.056 0.000 1.045 329 V CA -1.526 60.550 62.300 -0.372 0.000 0.905 329 V CB 2.409 33.778 31.823 -0.758 0.000 0.997 329 V HN 1.001 9.085 8.190 0.004 0.109 0.436 330 Q N 3.238 123.014 119.800 -0.040 0.000 2.391 330 Q HA 0.782 nan 4.340 nan 0.000 0.279 330 Q C -2.083 173.883 176.000 -0.057 0.000 1.028 330 Q CA -0.771 55.039 55.803 0.012 0.000 0.836 330 Q CB 4.854 33.661 28.738 0.115 0.000 1.414 330 Q HN 0.537 8.636 8.270 -0.129 0.094 0.397 331 L N 2.961 124.148 121.223 -0.060 0.000 2.399 331 L HA 0.755 nan 4.340 nan 0.000 0.265 331 L C -1.735 175.116 176.870 -0.031 0.000 1.089 331 L CA -0.551 54.257 54.840 -0.054 0.000 0.802 331 L CB 1.600 43.620 42.059 -0.066 0.000 1.180 331 L HN 0.234 8.434 8.230 -0.051 0.000 0.454 332 R N -0.937 119.558 120.500 -0.009 0.000 2.561 332 R HA 0.315 nan 4.340 nan 0.000 0.266 332 R C -1.960 174.329 176.300 -0.018 0.000 1.091 332 R CA -0.722 55.368 56.100 -0.017 0.000 0.927 332 R CB 4.073 34.372 30.300 -0.001 0.000 1.240 332 R HN 0.247 8.523 8.270 0.010 0.000 0.449 333 R N 5.913 126.388 120.500 -0.042 0.000 2.351 333 R HA 0.019 nan 4.340 nan 0.000 0.318 333 R C 0.701 176.966 176.300 -0.059 0.000 1.055 333 R CA 0.372 56.441 56.100 -0.052 0.000 0.968 333 R CB 0.265 30.523 30.300 -0.069 0.000 0.974 333 R HN 0.264 8.505 8.270 -0.049 0.000 0.439 334 K N 6.969 127.331 120.400 -0.063 0.000 2.286 334 K HA -0.369 nan 4.320 nan 0.000 0.203 334 K C 0.807 177.358 176.600 -0.082 0.000 1.045 334 K CA 2.664 58.900 56.287 -0.085 0.000 0.935 334 K CB -0.420 32.020 32.500 -0.100 0.000 0.737 334 K HN 0.662 8.777 8.250 -0.053 0.103 0.460 335 S N -0.699 114.955 115.700 -0.077 0.000 2.329 335 S HA -0.228 nan 4.470 nan 0.000 0.215 335 S C 0.913 175.465 174.600 -0.080 0.000 1.031 335 S CA 2.615 60.769 58.200 -0.077 0.000 0.985 335 S CB 0.304 63.455 63.200 -0.081 0.000 0.917 335 S HN -0.012 8.401 8.310 -0.074 -0.148 0.441 336 D N -1.421 118.925 120.400 -0.090 0.000 2.389 336 D HA 0.017 nan 4.640 nan 0.000 0.206 336 D C 0.217 176.471 176.300 -0.076 0.000 1.055 336 D CA -0.200 53.746 54.000 -0.091 0.000 0.856 336 D CB 0.967 41.691 40.800 -0.127 0.000 0.957 336 D HN -0.268 8.046 8.370 -0.094 0.000 0.509 337 L N -2.249 118.932 121.223 -0.072 0.000 4.140 337 L HA -0.402 nan 4.340 nan 0.000 0.406 337 L C -1.347 175.484 176.870 -0.065 0.000 1.175 337 L CA 0.876 55.679 54.840 -0.062 0.000 0.939 337 L CB -2.218 39.808 42.059 -0.056 0.000 2.105 337 L HN -0.003 8.183 8.230 -0.074 0.000 0.803 338 E N -1.978 118.180 120.200 -0.070 0.000 2.390 338 E HA -0.001 nan 4.350 nan 0.000 0.261 338 E C -0.615 175.948 176.600 -0.063 0.000 1.076 338 E CA 0.506 56.865 56.400 -0.067 0.000 0.905 338 E CB 2.238 31.895 29.700 -0.072 0.000 0.984 338 E HN -0.116 8.291 8.360 -0.076 -0.092 0.427 339 T N -1.291 113.225 114.554 -0.063 0.000 2.838 339 T HA 0.620 nan 4.350 nan 0.000 0.292 339 T C -0.947 173.722 174.700 -0.052 0.000 1.113 339 T CA -2.357 59.705 62.100 -0.065 0.000 1.008 339 T CB 3.018 71.830 68.868 -0.095 0.000 1.259 339 T HN -0.157 8.046 8.240 -0.061 0.000 0.520 340 S N 0.099 115.772 115.700 -0.046 0.000 2.704 340 S HA 0.359 nan 4.470 nan 0.000 0.305 340 S C -0.559 174.027 174.600 -0.023 0.000 1.107 340 S CA -1.265 56.917 58.200 -0.030 0.000 0.993 340 S CB 2.517 65.702 63.200 -0.025 0.000 1.110 340 S HN -0.202 8.079 8.310 -0.049 0.000 0.534 341 E N 0.737 120.929 120.200 -0.012 0.000 2.376 341 E HA 0.120 nan 4.350 nan 0.000 0.266 341 E C -1.112 175.495 176.600 0.013 0.000 1.009 341 E CA -1.943 54.452 56.400 -0.008 0.000 0.902 341 E CB 0.741 30.443 29.700 0.002 0.000 0.972 341 E HN 0.424 8.778 8.360 -0.009 0.000 0.439 342 P HA 0.132 nan 4.420 nan 0.000 0.276 342 P C -1.404 175.982 177.300 0.144 0.000 1.252 342 P CA -0.526 62.628 63.100 0.090 0.000 0.802 342 P CB 0.924 32.657 31.700 0.055 0.000 1.035 343 K N -0.792 119.705 120.400 0.161 0.000 2.316 343 K HA 0.587 nan 4.320 nan 0.000 0.251 343 K C -2.255 174.436 176.600 0.152 0.000 0.934 343 K CA -3.078 53.292 56.287 0.139 0.000 0.802 343 K CB 1.460 33.991 32.500 0.051 0.000 1.171 343 K HN 0.532 8.856 8.250 0.123 0.000 0.426 344 P HA 0.284 nan 4.420 nan 0.000 0.271 344 P C -1.703 175.619 177.300 0.038 0.000 1.216 344 P CA 0.393 63.450 63.100 -0.073 0.000 0.776 344 P CB 0.388 32.042 31.700 -0.078 0.000 0.881 345 F N 4.404 124.224 119.950 -0.217 0.000 2.601 345 F HA 0.394 nan 4.527 nan 0.000 0.309 345 F C -2.484 173.202 175.800 -0.191 0.000 1.089 345 F CA -1.444 56.464 58.000 -0.153 0.000 0.940 345 F CB 4.557 43.501 39.000 -0.094 0.000 1.273 345 F HN 0.592 8.713 8.300 -0.148 0.090 0.450 346 L N 4.641 125.309 121.223 -0.926 0.000 2.372 346 L HA 0.554 nan 4.340 nan 0.000 0.274 346 L C -2.402 174.047 176.870 -0.702 0.000 0.988 346 L CA -0.631 53.829 54.840 -0.634 0.000 0.833 346 L CB 3.525 45.326 42.059 -0.429 0.000 1.236 346 L HN 0.098 7.524 8.230 -1.341 0.000 0.410 347 Y N 5.134 125.194 120.300 -0.401 0.000 2.309 347 Y HA 0.179 nan 4.550 nan 0.000 0.327 347 Y C -0.706 175.127 175.900 -0.111 0.000 1.172 347 Y CA 0.539 58.519 58.100 -0.199 0.000 1.280 347 Y CB 1.255 39.611 38.460 -0.174 0.000 1.234 347 Y HN 0.064 8.252 8.280 -0.154 0.000 0.512 348 Y N 1.716 122.043 120.300 0.045 0.000 2.549 348 Y HA 0.266 nan 4.550 nan 0.000 0.339 348 Y C -1.523 174.400 175.900 0.039 0.000 1.053 348 Y CA -1.981 56.126 58.100 0.010 0.000 1.105 348 Y CB 1.491 39.935 38.460 -0.027 0.000 1.258 348 Y HN 0.563 8.982 8.280 0.402 0.102 0.478 349 P HA -0.109 nan 4.420 nan 0.000 0.209 349 P C -0.366 176.987 177.300 0.089 0.000 1.203 349 P CA 1.955 65.117 63.100 0.103 0.000 0.916 349 P CB 0.692 32.433 31.700 0.068 0.000 0.763 350 E N 0.000 120.250 120.200 0.083 0.000 2.725 350 E HA 0.000 nan 4.350 nan 0.000 0.291 350 E CA 0.000 56.428 56.400 0.047 0.000 0.976 350 E CB 0.000 29.718 29.700 0.029 0.000 0.812 350 E HN 0.000 8.420 8.360 0.100 0.000 0.440