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 2wk8_1_B DATA FIRST_RESID 6 DATA SEQUENCE LPDFIQNKID HYIENYFDIN KNGKHLVLGK QASPDDIILQ SNDYLALANH DATA SEQUENCE PLIKARLAKS LLEXXXXXXX XXXXXXXXXX XXXIEKRLAK FTGFDECLLS DATA SEQUENCE QSGWNANVGL LQTICQPNTN VYIDFFAHMS LWEGARYANA QAHPFMHNNC DATA SEQUENCE DHLRMLIQRH GPGIIVVDSI YSTLGTIAPL AELVNISKEF GCALLVDESH DATA SEQUENCE SLGTHGPNGA GLLAELGLTR EVHFMTASLA KTFAYRAGAI WCNNEVNRCV DATA SEQUENCE PFISYPAIFS STLLPYEAAG LETTLEIIES ADNRRQHLDR MARKLRIGLS DATA SEQUENCE QLGLTIRSES QIIGLETGDE RNTEKVRDYL ESNGVFGSVF CRPATSKNKN DATA SEQUENCE IIRLSLNSDV NDEQIAKIIE VCSDAVNYGD FYFR 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 6 L HA 0.000 nan 4.340 nan 0.000 0.249 6 L C 0.000 176.788 176.870 -0.137 0.000 1.165 6 L CA 0.000 54.776 54.840 -0.107 0.000 0.813 6 L CB 0.000 41.976 42.059 -0.138 0.000 0.961 7 P HA 0.115 nan 4.420 nan 0.000 0.267 7 P C -0.361 176.790 177.300 -0.247 0.000 1.200 7 P CA 0.021 62.999 63.100 -0.203 0.000 0.772 7 P CB 0.625 32.145 31.700 -0.301 0.000 0.855 8 D N 1.029 121.380 120.400 -0.083 0.000 2.158 8 D HA -0.172 4.469 4.640 0.001 0.000 0.197 8 D C 1.609 177.889 176.300 -0.034 0.000 0.995 8 D CA 1.344 55.324 54.000 -0.035 0.000 0.846 8 D CB -0.606 40.217 40.800 0.038 0.000 0.941 8 D HN 0.598 nan 8.370 nan 0.000 0.456 9 F N -0.421 119.521 119.950 -0.013 0.000 2.365 9 F HA 0.078 4.606 4.527 0.001 0.000 0.300 9 F C 1.893 177.682 175.800 -0.017 0.000 1.090 9 F CA 0.554 58.544 58.000 -0.016 0.000 1.408 9 F CB -0.437 38.553 39.000 -0.017 0.000 1.060 9 F HN -0.082 nan 8.300 nan 0.000 0.534 10 I N -0.209 119.981 120.570 -0.632 0.000 2.556 10 I HA -0.082 4.088 4.170 0.001 0.000 0.251 10 I C 2.475 178.474 176.117 -0.198 0.000 1.105 10 I CA 0.553 61.617 61.300 -0.393 0.000 1.436 10 I CB -0.483 37.197 38.000 -0.535 0.000 1.139 10 I HN 0.115 nan 8.210 nan 0.000 0.438 11 Q N 1.624 121.308 119.800 -0.193 0.000 2.061 11 Q HA -0.224 4.116 4.340 0.001 0.000 0.204 11 Q C 1.918 177.893 176.000 -0.042 0.000 0.984 11 Q CA 1.997 57.741 55.803 -0.098 0.000 0.846 11 Q CB -0.212 28.476 28.738 -0.083 0.000 0.902 11 Q HN 0.350 nan 8.270 nan 0.000 0.421 12 N N 0.291 118.974 118.700 -0.029 0.000 2.061 12 N HA -0.206 4.534 4.740 0.001 0.000 0.193 12 N C 1.442 176.972 175.510 0.033 0.000 1.030 12 N CA 1.663 54.716 53.050 0.006 0.000 0.856 12 N CB -0.420 38.070 38.487 0.006 0.000 1.023 12 N HN 0.380 nan 8.380 nan 0.000 0.424 13 K N 0.659 121.072 120.400 0.023 0.000 2.026 13 K HA -0.079 4.242 4.320 0.001 0.000 0.208 13 K C 1.804 178.446 176.600 0.070 0.000 1.048 13 K CA 0.990 57.309 56.287 0.053 0.000 0.929 13 K CB -0.022 32.493 32.500 0.026 0.000 0.713 13 K HN -0.000 nan 8.250 nan 0.000 0.439 14 I N 2.190 122.764 120.570 0.008 0.000 2.226 14 I HA -0.235 3.935 4.170 0.001 0.000 0.245 14 I C 1.710 177.854 176.117 0.046 0.000 1.100 14 I CA 1.433 62.730 61.300 -0.005 0.000 1.374 14 I CB -1.237 36.734 38.000 -0.047 0.000 1.057 14 I HN 0.249 nan 8.210 nan 0.000 0.413 15 D N -0.166 120.265 120.400 0.052 0.000 2.084 15 D HA -0.222 4.419 4.640 0.001 0.000 0.194 15 D C 2.160 178.515 176.300 0.092 0.000 0.990 15 D CA 1.472 55.508 54.000 0.061 0.000 0.826 15 D CB -0.468 40.365 40.800 0.055 0.000 0.971 15 D HN 0.365 nan 8.370 nan 0.000 0.453 16 H N -0.659 118.424 119.070 0.021 0.000 2.289 16 H HA -0.206 4.351 4.556 0.001 0.000 0.296 16 H C 2.003 177.351 175.328 0.033 0.000 1.091 16 H CA 1.976 58.042 56.048 0.030 0.000 1.274 16 H CB -0.626 29.163 29.762 0.045 0.000 1.364 16 H HN 0.215 nan 8.280 nan 0.000 0.490 17 Y N 0.350 120.621 120.300 -0.049 0.000 2.097 17 Y HA -0.236 4.315 4.550 0.001 0.000 0.282 17 Y C 2.491 178.215 175.900 -0.292 0.000 1.152 17 Y CA 2.143 60.118 58.100 -0.208 0.000 1.136 17 Y CB -0.470 37.788 38.460 -0.336 0.000 0.975 17 Y HN 0.245 nan 8.280 nan 0.000 0.498 18 I N 0.133 120.611 120.570 -0.155 0.000 2.264 18 I HA -0.318 3.853 4.170 0.001 0.000 0.248 18 I C 2.260 178.271 176.117 -0.176 0.000 1.111 18 I CA 1.765 62.884 61.300 -0.302 0.000 1.382 18 I CB -0.439 37.530 38.000 -0.052 0.000 1.060 18 I HN 0.362 nan 8.210 nan 0.000 0.418 19 E N 0.726 120.854 120.200 -0.119 0.000 2.051 19 E HA -0.191 4.160 4.350 0.001 0.000 0.192 19 E C 1.471 177.972 176.600 -0.165 0.000 0.991 19 E CA 1.156 57.496 56.400 -0.100 0.000 0.799 19 E CB -0.074 29.581 29.700 -0.076 0.000 0.748 19 E HN 0.467 nan 8.360 nan 0.000 0.449 20 N N -0.931 117.615 118.700 -0.257 0.000 2.336 20 N HA -0.005 4.736 4.740 0.001 0.000 0.189 20 N C 0.344 175.587 175.510 -0.445 0.000 1.113 20 N CA 0.645 53.500 53.050 -0.325 0.000 0.858 20 N CB 0.441 38.684 38.487 -0.406 0.000 0.970 20 N HN 0.239 nan 8.380 nan 0.000 0.471 21 Y N -2.093 117.890 120.300 -0.527 0.000 2.476 21 Y HA 0.263 4.813 4.550 0.001 0.000 0.274 21 Y C 1.022 176.900 175.900 -0.038 0.000 1.120 21 Y CA -0.267 57.543 58.100 -0.483 0.000 1.214 21 Y CB 0.318 38.159 38.460 -1.032 0.000 1.285 21 Y HN -0.159 nan 8.280 nan 0.000 0.520 22 F N 0.141 120.069 119.950 -0.036 0.000 2.387 22 F HA 0.099 4.626 4.527 0.001 0.000 0.278 22 F C 1.809 177.589 175.800 -0.033 0.000 1.010 22 F CA 0.288 58.291 58.000 0.006 0.000 1.236 22 F CB -1.064 37.977 39.000 0.068 0.000 1.137 22 F HN -0.147 nan 8.300 nan 0.000 0.604 23 D N 1.153 121.651 120.400 0.163 0.000 2.190 23 D HA -0.144 4.496 4.640 0.001 0.000 0.200 23 D C 2.029 178.339 176.300 0.016 0.000 0.992 23 D CA 1.429 55.473 54.000 0.072 0.000 0.854 23 D CB -0.440 40.382 40.800 0.037 0.000 0.936 23 D HN 0.324 nan 8.370 nan 0.000 0.462 24 I N -0.620 119.935 120.570 -0.024 0.000 2.756 24 I HA -0.069 4.101 4.170 0.001 0.000 0.262 24 I C 0.426 176.513 176.117 -0.049 0.000 1.225 24 I CA -0.030 61.236 61.300 -0.056 0.000 1.472 24 I CB -0.828 37.105 38.000 -0.111 0.000 1.094 24 I HN -0.203 nan 8.210 nan 0.000 0.454 25 N N 1.891 120.571 118.700 -0.032 0.000 2.515 25 N HA 0.163 4.903 4.740 0.001 0.000 0.279 25 N C 0.725 176.225 175.510 -0.018 0.000 1.164 25 N CA -0.269 52.760 53.050 -0.036 0.000 0.982 25 N CB 1.094 39.558 38.487 -0.040 0.000 1.170 25 N HN 0.180 nan 8.380 nan 0.000 0.474 26 K N 0.521 120.909 120.400 -0.020 0.000 2.283 26 K HA -0.105 4.215 4.320 0.001 0.000 0.202 26 K C 0.736 177.333 176.600 -0.005 0.000 1.048 26 K CA 1.006 57.286 56.287 -0.010 0.000 0.948 26 K CB 0.028 32.523 32.500 -0.009 0.000 0.742 26 K HN 0.525 nan 8.250 nan 0.000 0.458 27 N N -0.661 118.034 118.700 -0.009 0.000 2.280 27 N HA 0.035 4.775 4.740 0.001 0.000 0.192 27 N C 0.847 176.352 175.510 -0.008 0.000 1.109 27 N CA 0.641 53.686 53.050 -0.008 0.000 0.855 27 N CB 0.476 38.956 38.487 -0.011 0.000 0.974 27 N HN 0.119 nan 8.380 nan 0.000 0.482 28 G N -0.234 108.569 108.800 0.004 0.000 2.166 28 G HA2 -0.347 3.614 3.960 0.001 0.000 0.260 28 G HA3 -0.347 3.614 3.960 0.001 0.000 0.260 28 G C -0.192 174.713 174.900 0.008 0.000 0.986 28 G CA 0.749 45.865 45.100 0.026 0.000 0.683 28 G HN 0.522 nan 8.290 nan 0.000 0.527 29 K N -0.483 119.896 120.400 -0.035 0.000 2.238 29 K HA 0.452 4.773 4.320 0.001 0.000 0.239 29 K C 0.380 176.953 176.600 -0.045 0.000 0.987 29 K CA -1.055 55.151 56.287 -0.136 0.000 0.857 29 K CB 1.084 33.522 32.500 -0.104 0.000 1.154 29 K HN 0.267 nan 8.250 nan 0.000 0.439 30 H N 1.432 120.375 119.070 -0.212 0.000 2.948 30 H HA -0.070 4.486 4.556 0.001 0.000 0.351 30 H C 1.018 176.372 175.328 0.043 0.000 1.079 30 H CA 0.275 56.381 56.048 0.098 0.000 1.407 30 H CB 0.958 30.810 29.762 0.150 0.000 1.373 30 H HN 0.452 nan 8.280 nan 0.000 0.605 31 L N 5.648 126.682 121.223 -0.316 0.000 2.129 31 L HA -0.220 4.121 4.340 0.001 0.000 0.212 31 L C 2.643 179.546 176.870 0.055 0.000 1.087 31 L CA 1.937 56.694 54.840 -0.137 0.000 0.757 31 L CB -0.741 41.183 42.059 -0.225 0.000 0.896 31 L HN 0.666 nan 8.230 nan 0.000 0.434 32 V N -3.716 116.375 119.914 0.294 0.000 3.078 32 V HA -0.027 4.093 4.120 0.001 0.000 0.265 32 V C 0.920 177.069 176.094 0.092 0.000 1.122 32 V CA 0.234 62.632 62.300 0.165 0.000 1.141 32 V CB -0.850 31.048 31.823 0.124 0.000 0.735 32 V HN 0.123 nan 8.190 nan 0.000 0.498 33 L N 2.298 123.576 121.223 0.092 0.000 2.259 33 L HA 0.789 5.129 4.340 0.001 0.000 0.288 33 L C 0.829 177.719 176.870 0.033 0.000 1.051 33 L CA 0.588 55.452 54.840 0.040 0.000 0.824 33 L CB 0.164 42.225 42.059 0.002 0.000 1.206 33 L HN 0.294 nan 8.230 nan 0.000 0.429 34 G N 2.891 111.726 108.800 0.058 0.000 2.849 34 G HA2 0.287 4.247 3.960 0.001 0.000 0.174 34 G HA3 0.287 4.247 3.960 0.001 0.000 0.174 34 G C -0.386 174.567 174.900 0.088 0.000 1.370 34 G CA -0.481 44.660 45.100 0.067 0.000 1.040 34 G HN 0.409 nan 8.290 nan 0.000 0.582 35 K N 0.021 120.506 120.400 0.141 0.000 2.098 35 K HA 0.239 4.560 4.320 0.001 0.000 0.257 35 K C -0.229 176.484 176.600 0.189 0.000 0.999 35 K CA -0.298 56.077 56.287 0.147 0.000 0.924 35 K CB 1.019 33.610 32.500 0.153 0.000 1.028 35 K HN 0.458 nan 8.250 nan 0.000 0.466 36 Q N 1.472 121.326 119.800 0.089 0.000 2.296 36 Q HA 0.231 4.572 4.340 0.001 0.000 0.262 36 Q C -0.787 175.179 176.000 -0.056 0.000 0.981 36 Q CA -0.450 55.355 55.803 0.003 0.000 0.905 36 Q CB 1.149 29.877 28.738 -0.016 0.000 1.186 36 Q HN 0.645 nan 8.270 nan 0.000 0.399 37 A N 3.266 125.895 122.820 -0.318 0.000 2.346 37 A HA 0.472 4.793 4.320 0.001 0.000 0.252 37 A C -0.394 177.051 177.584 -0.233 0.000 1.089 37 A CA -0.234 51.466 52.037 -0.563 0.000 0.797 37 A CB 0.729 19.126 19.000 -1.004 0.000 1.047 37 A HN 0.790 nan 8.150 nan 0.000 0.494 38 S N 0.162 115.764 115.700 -0.163 0.000 2.715 38 S HA 0.745 5.216 4.470 0.001 0.000 0.307 38 S C -2.885 171.670 174.600 -0.076 0.000 1.119 38 S CA -1.061 57.091 58.200 -0.079 0.000 0.937 38 S CB 1.575 64.762 63.200 -0.022 0.000 1.150 38 S HN 0.601 nan 8.310 nan 0.000 0.521 39 P HA 0.507 nan 4.420 nan 0.000 0.296 39 P C -1.531 175.763 177.300 -0.011 0.000 1.306 39 P CA -0.504 62.579 63.100 -0.029 0.000 0.818 39 P CB 0.379 32.063 31.700 -0.026 0.000 0.969 40 D N 1.013 121.414 120.400 0.002 0.000 2.683 40 D HA 0.158 4.799 4.640 0.001 0.000 0.309 40 D C -0.375 175.939 176.300 0.023 0.000 1.238 40 D CA -0.362 53.640 54.000 0.004 0.000 0.936 40 D CB -0.176 40.629 40.800 0.009 0.000 1.001 40 D HN 0.146 nan 8.370 nan 0.000 0.505 41 D N 0.641 121.056 120.400 0.024 0.000 2.406 41 D HA 0.014 4.654 4.640 0.001 0.000 0.234 41 D C 0.536 176.891 176.300 0.091 0.000 1.196 41 D CA 0.315 54.368 54.000 0.089 0.000 0.881 41 D CB 0.954 41.814 40.800 0.100 0.000 1.205 41 D HN 0.259 nan 8.370 nan 0.000 0.453 42 I N 2.260 122.927 120.570 0.160 0.000 2.337 42 I HA 0.146 4.316 4.170 0.001 0.000 0.291 42 I C 0.208 176.444 176.117 0.198 0.000 1.046 42 I CA -0.179 61.206 61.300 0.143 0.000 1.324 42 I CB 0.353 38.427 38.000 0.124 0.000 1.409 42 I HN 0.031 nan 8.210 nan 0.000 0.494 43 I N 7.724 128.364 120.570 0.117 0.000 2.339 43 I HA 0.296 4.466 4.170 0.001 0.000 0.290 43 I C -0.093 176.096 176.117 0.121 0.000 0.994 43 I CA -0.258 61.108 61.300 0.110 0.000 1.191 43 I CB 1.091 39.091 38.000 -0.001 0.000 1.343 43 I HN 0.467 nan 8.210 nan 0.000 0.458 44 L N 6.726 128.044 121.223 0.159 0.000 2.861 44 L HA 0.341 4.681 4.340 0.001 0.000 0.290 44 L C 0.530 177.499 176.870 0.166 0.000 1.346 44 L CA 0.175 55.106 54.840 0.152 0.000 0.779 44 L CB 0.298 42.447 42.059 0.149 0.000 1.143 44 L HN 0.684 nan 8.230 nan 0.000 0.548 45 Q N -1.091 118.795 119.800 0.144 0.000 2.404 45 Q HA 0.184 4.524 4.340 0.001 0.000 0.262 45 Q C 0.854 176.926 176.000 0.120 0.000 0.846 45 Q CA -0.075 55.818 55.803 0.149 0.000 0.978 45 Q CB 1.220 30.034 28.738 0.125 0.000 1.156 45 Q HN 0.360 nan 8.270 nan 0.000 0.548 46 S N 1.021 116.766 115.700 0.075 0.000 2.564 46 S HA 0.118 4.588 4.470 0.001 0.000 0.278 46 S C 0.611 175.181 174.600 -0.049 0.000 1.333 46 S CA -0.238 57.975 58.200 0.022 0.000 1.048 46 S CB 0.346 63.550 63.200 0.007 0.000 0.900 46 S HN 0.257 nan 8.310 nan 0.000 0.505 47 N N 2.275 120.893 118.700 -0.137 0.000 2.322 47 N HA -0.023 4.717 4.740 0.001 0.000 0.194 47 N C -0.521 174.542 175.510 -0.745 0.000 1.126 47 N CA 0.056 52.825 53.050 -0.469 0.000 0.845 47 N CB 0.125 38.496 38.487 -0.194 0.000 0.976 47 N HN 0.591 nan 8.380 nan 0.000 0.475 48 D N 0.390 120.590 120.400 -0.334 0.000 2.608 48 D HA -0.028 4.612 4.640 0.001 0.000 0.224 48 D C 0.651 176.900 176.300 -0.085 0.000 1.123 48 D CA -0.404 53.494 54.000 -0.170 0.000 1.030 48 D CB -0.189 40.583 40.800 -0.047 0.000 1.093 48 D HN 0.075 nan 8.370 nan 0.000 0.497 49 Y N 1.126 121.488 120.300 0.103 0.000 2.333 49 Y HA -0.035 4.516 4.550 0.001 0.000 0.290 49 Y C 1.713 177.658 175.900 0.076 0.000 1.144 49 Y CA 0.732 58.891 58.100 0.098 0.000 1.228 49 Y CB -0.109 38.421 38.460 0.117 0.000 0.985 49 Y HN 0.365 nan 8.280 nan 0.000 0.542 50 L N -0.410 120.921 121.223 0.180 0.000 2.872 50 L HA 0.427 4.768 4.340 0.001 0.000 0.245 50 L C 0.910 177.836 176.870 0.093 0.000 1.211 50 L CA -0.089 54.824 54.840 0.121 0.000 1.013 50 L CB -0.466 41.637 42.059 0.074 0.000 1.326 50 L HN 0.121 nan 8.230 nan 0.000 0.525 51 A N 0.864 123.738 122.820 0.090 0.000 2.415 51 A HA -0.205 4.115 4.320 0.001 0.000 0.292 51 A C 0.956 178.589 177.584 0.082 0.000 1.452 51 A CA 0.787 52.868 52.037 0.074 0.000 0.750 51 A CB -1.761 17.284 19.000 0.074 0.000 1.099 51 A HN 0.527 nan 8.150 nan 0.000 0.391 52 L N -1.132 120.135 121.223 0.073 0.000 2.640 52 L HA 0.154 4.494 4.340 0.001 0.000 0.230 52 L C 2.548 179.479 176.870 0.102 0.000 1.123 52 L CA 0.578 55.475 54.840 0.095 0.000 0.900 52 L CB -0.416 41.652 42.059 0.015 0.000 1.146 52 L HN 0.692 nan 8.230 nan 0.000 0.484 53 A N 0.975 123.840 122.820 0.075 0.000 1.917 53 A HA -0.260 4.061 4.320 0.001 0.000 0.219 53 A C 1.762 179.394 177.584 0.080 0.000 1.182 53 A CA 2.256 54.335 52.037 0.070 0.000 0.633 53 A CB -0.480 18.547 19.000 0.046 0.000 0.819 53 A HN 0.450 nan 8.150 nan 0.000 0.448 54 N N -0.918 117.827 118.700 0.074 0.000 2.321 54 N HA 0.040 4.780 4.740 0.001 0.000 0.242 54 N C -0.128 175.421 175.510 0.066 0.000 1.141 54 N CA -0.266 52.819 53.050 0.058 0.000 0.864 54 N CB -0.274 38.228 38.487 0.025 0.000 1.100 54 N HN 0.483 nan 8.380 nan 0.000 0.510 55 H N 0.806 119.884 119.070 0.012 0.000 2.975 55 H HA 0.078 4.634 4.556 0.001 0.000 0.303 55 H C -1.583 173.748 175.328 0.006 0.000 1.023 55 H CA -1.112 54.939 56.048 0.005 0.000 1.473 55 H CB 1.396 31.157 29.762 -0.000 0.000 1.498 55 H HN 0.188 nan 8.280 nan 0.000 0.549 56 P HA -0.198 nan 4.420 nan 0.000 0.215 56 P C 1.913 179.288 177.300 0.125 0.000 1.163 56 P CA 1.136 64.236 63.100 -0.000 0.000 0.894 56 P CB 0.289 31.929 31.700 -0.100 0.000 0.791 57 L N -1.506 119.892 121.223 0.292 0.000 2.046 57 L HA -0.165 4.176 4.340 0.001 0.000 0.208 57 L C 2.487 179.437 176.870 0.132 0.000 1.077 57 L CA 1.414 56.380 54.840 0.210 0.000 0.747 57 L CB -0.726 41.468 42.059 0.226 0.000 0.896 57 L HN -0.062 nan 8.230 nan 0.000 0.432 58 I N -0.376 120.287 120.570 0.155 0.000 2.179 58 I HA -0.305 3.866 4.170 0.001 0.000 0.242 58 I C 2.574 178.731 176.117 0.067 0.000 1.088 58 I CA 1.351 62.678 61.300 0.046 0.000 1.357 58 I CB -0.367 37.642 38.000 0.015 0.000 1.051 58 I HN 0.225 nan 8.210 nan 0.000 0.409 59 K N 1.123 121.579 120.400 0.092 0.000 2.032 59 K HA -0.200 4.120 4.320 0.001 0.000 0.209 59 K C 2.313 178.942 176.600 0.049 0.000 1.048 59 K CA 1.684 58.013 56.287 0.071 0.000 0.927 59 K CB -0.416 32.122 32.500 0.063 0.000 0.712 59 K HN 0.322 nan 8.250 nan 0.000 0.441 60 A N 1.915 124.763 122.820 0.047 0.000 1.873 60 A HA -0.267 4.054 4.320 0.001 0.000 0.218 60 A C 2.190 179.787 177.584 0.022 0.000 1.193 60 A CA 2.145 54.200 52.037 0.029 0.000 0.629 60 A CB -0.606 18.413 19.000 0.031 0.000 0.826 60 A HN 0.220 nan 8.150 nan 0.000 0.447 61 R N -0.261 120.253 120.500 0.025 0.000 2.091 61 R HA -0.050 4.290 4.340 0.001 0.000 0.238 61 R C 1.989 178.301 176.300 0.020 0.000 1.136 61 R CA 1.668 57.776 56.100 0.015 0.000 0.959 61 R CB -0.713 29.589 30.300 0.004 0.000 0.856 61 R HN 0.554 nan 8.270 nan 0.000 0.437 62 L N -0.549 120.694 121.223 0.033 0.000 1.994 62 L HA -0.122 4.219 4.340 0.001 0.000 0.208 62 L C 2.436 179.315 176.870 0.015 0.000 1.071 62 L CA 1.490 56.366 54.840 0.060 0.000 0.745 62 L CB -0.660 41.457 42.059 0.098 0.000 0.892 62 L HN 0.405 nan 8.230 nan 0.000 0.431 63 A N -0.320 122.500 122.820 -0.001 0.000 1.883 63 A HA -0.281 4.039 4.320 0.001 0.000 0.217 63 A C 2.348 179.900 177.584 -0.054 0.000 1.186 63 A CA 2.001 54.014 52.037 -0.040 0.000 0.624 63 A CB -0.568 18.420 19.000 -0.020 0.000 0.822 63 A HN 0.301 nan 8.150 nan 0.000 0.444 64 K N -0.467 119.918 120.400 -0.025 0.000 2.034 64 K HA -0.180 4.141 4.320 0.001 0.000 0.214 64 K C 2.284 178.866 176.600 -0.030 0.000 1.051 64 K CA 1.927 58.201 56.287 -0.021 0.000 0.931 64 K CB -0.267 32.229 32.500 -0.005 0.000 0.715 64 K HN 0.450 nan 8.250 nan 0.000 0.446 65 S N 0.708 116.398 115.700 -0.017 0.000 2.436 65 S HA -0.085 4.386 4.470 0.001 0.000 0.228 65 S C 1.679 176.243 174.600 -0.061 0.000 1.014 65 S CA 0.963 59.166 58.200 0.006 0.000 0.950 65 S CB -0.095 63.147 63.200 0.070 0.000 0.784 65 S HN 0.378 nan 8.310 nan 0.000 0.504 66 L N 0.077 121.169 121.223 -0.219 0.000 2.179 66 L HA 0.238 4.579 4.340 0.001 0.000 0.208 66 L C 0.392 177.090 176.870 -0.287 0.000 1.096 66 L CA 0.881 55.392 54.840 -0.549 0.000 0.779 66 L CB -0.687 40.864 42.059 -0.847 0.000 0.922 66 L HN 0.038 nan 8.230 nan 0.000 0.443 67 L N 2.219 123.344 121.223 -0.163 0.000 2.467 67 L HA 0.188 4.529 4.340 0.001 0.000 0.270 67 L C 0.722 177.553 176.870 -0.064 0.000 1.205 67 L CA 0.801 55.584 54.840 -0.095 0.000 0.828 67 L CB -0.117 41.904 42.059 -0.064 0.000 1.101 67 L HN 0.826 nan 8.230 nan 0.000 0.479 90 E N 1.304 121.461 120.200 -0.072 0.000 2.085 90 E HA -0.208 4.142 4.350 0.001 0.000 0.194 90 E C 1.330 177.912 176.600 -0.030 0.000 0.994 90 E CA 1.442 57.783 56.400 -0.098 0.000 0.801 90 E CB -0.010 29.622 29.700 -0.113 0.000 0.743 90 E HN 0.311 nan 8.360 nan 0.000 0.453 91 K N 0.721 121.123 120.400 0.003 0.000 2.057 91 K HA -0.097 4.223 4.320 0.001 0.000 0.207 91 K C 2.081 178.734 176.600 0.089 0.000 1.049 91 K CA 1.045 57.359 56.287 0.045 0.000 0.931 91 K CB -0.283 32.238 32.500 0.035 0.000 0.714 91 K HN 0.130 nan 8.250 nan 0.000 0.440 92 R N 0.546 121.092 120.500 0.077 0.000 2.075 92 R HA 0.005 4.346 4.340 0.001 0.000 0.232 92 R C 2.552 178.978 176.300 0.210 0.000 1.126 92 R CA 0.905 57.072 56.100 0.113 0.000 0.963 92 R CB -0.416 29.922 30.300 0.063 0.000 0.858 92 R HN 0.114 nan 8.270 nan 0.000 0.435 93 L N 0.257 121.604 121.223 0.206 0.000 2.056 93 L HA -0.146 4.195 4.340 0.001 0.000 0.207 93 L C 2.705 179.954 176.870 0.631 0.000 1.078 93 L CA 1.139 56.226 54.840 0.412 0.000 0.749 93 L CB -0.572 41.635 42.059 0.246 0.000 0.901 93 L HN 0.253 nan 8.230 nan 0.000 0.433 94 A N 0.278 123.348 122.820 0.416 0.000 1.877 94 A HA -0.278 4.043 4.320 0.001 0.000 0.216 94 A C 2.386 180.191 177.584 0.368 0.000 1.186 94 A CA 2.115 54.429 52.037 0.461 0.000 0.620 94 A CB -0.502 18.654 19.000 0.261 0.000 0.822 94 A HN 0.354 nan 8.150 nan 0.000 0.443 95 K N -1.531 119.034 120.400 0.275 0.000 2.063 95 K HA -0.197 4.123 4.320 0.001 0.000 0.208 95 K C 1.833 178.590 176.600 0.261 0.000 1.048 95 K CA 1.763 58.181 56.287 0.219 0.000 0.928 95 K CB -0.387 32.216 32.500 0.172 0.000 0.713 95 K HN 0.358 nan 8.250 nan 0.000 0.442 96 F N 1.535 121.585 119.950 0.166 0.000 2.120 96 F HA -0.203 4.325 4.527 0.001 0.000 0.300 96 F C 2.138 178.007 175.800 0.115 0.000 1.095 96 F CA 1.975 60.064 58.000 0.148 0.000 1.249 96 F CB -0.700 38.421 39.000 0.200 0.000 0.995 96 F HN 0.001 nan 8.300 nan 0.000 0.480 97 T N -1.140 113.411 114.554 -0.004 0.000 3.037 97 T HA 0.272 4.623 4.350 0.001 0.000 0.252 97 T C 1.370 176.044 174.700 -0.042 0.000 1.073 97 T CA 0.925 62.883 62.100 -0.236 0.000 1.091 97 T CB -0.355 68.301 68.868 -0.353 0.000 0.935 97 T HN 0.603 nan 8.240 nan 0.000 0.488 98 G N 0.602 109.442 108.800 0.067 0.000 2.175 98 G HA2 -0.190 3.771 3.960 0.001 0.000 0.244 98 G HA3 -0.190 3.771 3.960 0.001 0.000 0.244 98 G C 0.039 174.944 174.900 0.008 0.000 0.982 98 G CA -0.302 44.806 45.100 0.014 0.000 0.641 98 G HN 0.456 nan 8.290 nan 0.000 0.527 99 F N 1.232 121.207 119.950 0.042 0.000 2.380 99 F HA 0.472 5.000 4.527 0.001 0.000 0.325 99 F C 1.587 177.467 175.800 0.133 0.000 1.136 99 F CA -0.126 57.935 58.000 0.102 0.000 1.171 99 F CB 0.716 39.849 39.000 0.222 0.000 1.230 99 F HN -0.104 nan 8.300 nan 0.000 0.554 100 D N 0.264 120.809 120.400 0.241 0.000 2.144 100 D HA -0.084 4.557 4.640 0.001 0.000 0.199 100 D C 0.231 176.638 176.300 0.178 0.000 0.984 100 D CA 1.574 55.666 54.000 0.153 0.000 0.834 100 D CB 0.175 41.031 40.800 0.094 0.000 0.955 100 D HN 0.377 nan 8.370 nan 0.000 0.465 101 E N -1.147 119.194 120.200 0.235 0.000 2.390 101 E HA 0.336 4.687 4.350 0.001 0.000 0.277 101 E C -1.211 175.433 176.600 0.073 0.000 0.939 101 E CA -0.599 55.882 56.400 0.136 0.000 0.769 101 E CB 2.571 32.329 29.700 0.098 0.000 1.251 101 E HN -0.041 nan 8.360 nan 0.000 0.450 102 C N 2.410 121.657 119.300 -0.088 0.000 2.535 102 C HA 0.734 5.194 4.460 0.001 0.000 0.319 102 C C -1.508 173.301 174.990 -0.302 0.000 1.171 102 C CA -0.571 58.218 59.018 -0.383 0.000 1.394 102 C CB 0.330 27.718 27.740 -0.588 0.000 1.990 102 C HN 0.651 nan 8.230 nan 0.000 0.466 103 L N 6.744 127.755 121.223 -0.353 0.000 2.381 103 L HA 0.626 4.967 4.340 0.001 0.000 0.274 103 L C -0.899 175.788 176.870 -0.304 0.000 0.988 103 L CA -0.363 54.323 54.840 -0.257 0.000 0.824 103 L CB 1.356 43.308 42.059 -0.179 0.000 1.263 103 L HN 0.629 nan 8.230 nan 0.000 0.410 104 L N 3.041 124.115 121.223 -0.249 0.000 2.436 104 L HA 0.479 4.820 4.340 0.001 0.000 0.265 104 L C 0.357 177.133 176.870 -0.158 0.000 1.168 104 L CA 0.348 55.056 54.840 -0.220 0.000 0.815 104 L CB 1.495 43.449 42.059 -0.175 0.000 1.109 104 L HN 0.882 nan 8.230 nan 0.000 0.462 105 S N 0.620 116.246 115.700 -0.122 0.000 2.651 105 S HA 0.332 4.803 4.470 0.001 0.000 0.279 105 S C 0.115 174.697 174.600 -0.029 0.000 1.148 105 S CA -0.498 57.660 58.200 -0.069 0.000 0.837 105 S CB 1.701 64.866 63.200 -0.057 0.000 1.138 105 S HN 0.582 nan 8.310 nan 0.000 0.478 106 Q N 0.950 120.750 119.800 -0.000 0.000 2.472 106 Q HA 0.280 4.620 4.340 0.001 0.000 0.208 106 Q C 0.150 176.165 176.000 0.025 0.000 0.958 106 Q CA 0.419 56.228 55.803 0.010 0.000 0.932 106 Q CB 0.302 29.048 28.738 0.014 0.000 1.007 106 Q HN 0.674 nan 8.270 nan 0.000 0.508 107 S N -3.862 111.867 115.700 0.048 0.000 2.622 107 S HA 0.458 4.928 4.470 0.001 0.000 0.275 107 S C 0.702 175.358 174.600 0.094 0.000 1.112 107 S CA -0.607 57.640 58.200 0.078 0.000 0.837 107 S CB 0.459 63.730 63.200 0.119 0.000 1.082 107 S HN 0.074 nan 8.310 nan 0.000 0.456 108 G N 0.934 109.789 108.800 0.091 0.000 2.440 108 G HA2 -0.161 3.800 3.960 0.001 0.000 0.218 108 G HA3 -0.161 3.800 3.960 0.001 0.000 0.218 108 G C 1.202 176.176 174.900 0.124 0.000 1.154 108 G CA 1.052 46.193 45.100 0.069 0.000 0.767 108 G HN 0.781 nan 8.290 nan 0.000 0.552 109 W N 1.966 123.286 121.300 0.033 0.000 2.317 109 W HA -0.167 4.493 4.660 0.001 0.000 0.318 109 W C 1.981 178.539 176.519 0.064 0.000 1.227 109 W CA 1.763 59.160 57.345 0.086 0.000 1.269 109 W CB -0.539 28.991 29.460 0.117 0.000 1.155 109 W HN 0.196 nan 8.180 nan 0.000 0.484 110 N N 0.673 119.597 118.700 0.373 0.000 2.166 110 N HA -0.131 4.610 4.740 0.001 0.000 0.186 110 N C 1.938 177.485 175.510 0.062 0.000 1.019 110 N CA 2.296 55.488 53.050 0.238 0.000 0.856 110 N CB -1.069 37.535 38.487 0.195 0.000 0.993 110 N HN 0.199 nan 8.380 nan 0.000 0.426 111 A N 1.206 124.042 122.820 0.026 0.000 1.883 111 A HA -0.155 4.166 4.320 0.001 0.000 0.217 111 A C 2.069 179.608 177.584 -0.075 0.000 1.186 111 A CA 1.523 53.540 52.037 -0.034 0.000 0.624 111 A CB -0.552 18.428 19.000 -0.032 0.000 0.822 111 A HN 0.226 nan 8.150 nan 0.000 0.444 112 N N 0.003 118.641 118.700 -0.104 0.000 2.084 112 N HA -0.109 4.632 4.740 0.001 0.000 0.190 112 N C 1.705 177.086 175.510 -0.215 0.000 1.030 112 N CA 1.556 54.505 53.050 -0.168 0.000 0.849 112 N CB -0.704 37.662 38.487 -0.201 0.000 1.012 112 N HN 0.214 nan 8.380 nan 0.000 0.423 113 V N 0.694 120.457 119.914 -0.251 0.000 2.407 113 V HA -0.150 3.970 4.120 0.001 0.000 0.248 113 V C 2.263 178.310 176.094 -0.079 0.000 1.055 113 V CA 2.065 64.250 62.300 -0.192 0.000 1.049 113 V CB -1.053 30.706 31.823 -0.107 0.000 0.662 113 V HN 0.388 nan 8.190 nan 0.000 0.455 114 G N -0.679 108.090 108.800 -0.052 0.000 2.394 114 G HA2 -0.185 3.776 3.960 0.001 0.000 0.215 114 G HA3 -0.185 3.776 3.960 0.001 0.000 0.215 114 G C 1.527 176.369 174.900 -0.097 0.000 1.165 114 G CA 0.861 45.936 45.100 -0.042 0.000 0.784 114 G HN 0.416 nan 8.290 nan 0.000 0.535 115 L N 0.696 121.838 121.223 -0.135 0.000 1.994 115 L HA 0.081 4.422 4.340 0.001 0.000 0.208 115 L C 2.705 179.431 176.870 -0.240 0.000 1.071 115 L CA 1.471 56.189 54.840 -0.203 0.000 0.745 115 L CB -0.649 41.271 42.059 -0.232 0.000 0.892 115 L HN 0.197 nan 8.230 nan 0.000 0.431 116 L N -0.796 120.296 121.223 -0.218 0.000 2.083 116 L HA -0.242 4.098 4.340 0.001 0.000 0.209 116 L C 2.669 179.439 176.870 -0.166 0.000 1.083 116 L CA 1.697 56.410 54.840 -0.212 0.000 0.752 116 L CB -0.608 41.322 42.059 -0.216 0.000 0.899 116 L HN 0.503 nan 8.230 nan 0.000 0.433 117 Q N -0.416 119.304 119.800 -0.133 0.000 2.170 117 Q HA -0.179 4.161 4.340 0.001 0.000 0.203 117 Q C 1.879 177.817 176.000 -0.104 0.000 0.976 117 Q CA 1.913 57.647 55.803 -0.115 0.000 0.858 117 Q CB 0.090 28.759 28.738 -0.116 0.000 0.907 117 Q HN 0.429 nan 8.270 nan 0.000 0.433 118 T N 1.184 115.676 114.554 -0.104 0.000 2.896 118 T HA -0.022 4.328 4.350 0.001 0.000 0.263 118 T C 1.726 176.383 174.700 -0.072 0.000 1.050 118 T CA 1.238 63.294 62.100 -0.073 0.000 1.140 118 T CB -0.038 68.790 68.868 -0.067 0.000 0.877 118 T HN 0.560 nan 8.240 nan 0.000 0.457 119 I N -1.761 118.734 120.570 -0.125 0.000 3.854 119 I HA 0.332 4.502 4.170 0.001 0.000 0.312 119 I C 0.402 176.469 176.117 -0.083 0.000 1.273 119 I CA -0.396 60.842 61.300 -0.103 0.000 1.298 119 I CB -0.274 37.609 38.000 -0.195 0.000 1.071 119 I HN 0.021 nan 8.210 nan 0.000 0.428 120 C N 2.452 121.691 119.300 -0.103 0.000 2.466 120 C HA 0.443 4.903 4.460 0.001 0.000 0.379 120 C C 0.400 175.350 174.990 -0.067 0.000 1.251 120 C CA -0.144 58.819 59.018 -0.092 0.000 2.263 120 C CB 0.762 28.432 27.740 -0.117 0.000 2.511 120 C HN 0.482 nan 8.230 nan 0.000 0.573 121 Q N 1.818 121.585 119.800 -0.056 0.000 2.297 121 Q HA 0.262 4.602 4.340 0.001 0.000 0.269 121 Q C -1.859 174.110 176.000 -0.052 0.000 1.051 121 Q CA -1.449 54.328 55.803 -0.043 0.000 0.869 121 Q CB 1.111 29.835 28.738 -0.024 0.000 1.346 121 Q HN 0.351 nan 8.270 nan 0.000 0.457 122 P HA -0.251 nan 4.420 nan 0.000 0.218 122 P C 0.803 178.073 177.300 -0.050 0.000 1.146 122 P CA 1.459 64.533 63.100 -0.043 0.000 0.813 122 P CB 0.113 31.797 31.700 -0.026 0.000 0.778 123 N N -0.855 117.821 118.700 -0.039 0.000 2.216 123 N HA -0.068 4.673 4.740 0.001 0.000 0.183 123 N C -0.072 175.403 175.510 -0.058 0.000 1.017 123 N CA 0.775 53.804 53.050 -0.035 0.000 0.861 123 N CB -0.717 37.763 38.487 -0.011 0.000 0.986 123 N HN 0.005 nan 8.380 nan 0.000 0.428 124 T N 2.801 117.312 114.554 -0.071 0.000 2.891 124 T HA -0.031 4.320 4.350 0.001 0.000 0.296 124 T C -0.041 174.562 174.700 -0.161 0.000 1.025 124 T CA -0.016 62.030 62.100 -0.090 0.000 1.149 124 T CB 0.028 68.841 68.868 -0.093 0.000 1.007 124 T HN 0.215 nan 8.240 nan 0.000 0.528 125 N N 2.862 121.469 118.700 -0.154 0.000 2.431 125 N HA 0.239 4.979 4.740 0.001 0.000 0.265 125 N C -0.182 175.054 175.510 -0.457 0.000 1.184 125 N CA -0.174 52.688 53.050 -0.313 0.000 0.943 125 N CB 0.868 39.214 38.487 -0.237 0.000 1.080 125 N HN 0.506 nan 8.380 nan 0.000 0.477 126 V N 0.893 120.477 119.914 -0.549 0.000 2.378 126 V HA 0.429 4.550 4.120 0.001 0.000 0.288 126 V C -0.919 174.901 176.094 -0.457 0.000 1.016 126 V CA -0.978 61.064 62.300 -0.430 0.000 0.840 126 V CB 0.288 31.910 31.823 -0.335 0.000 0.994 126 V HN 0.318 nan 8.190 nan 0.000 0.431 127 Y N 5.475 125.786 120.300 0.017 0.000 2.477 127 Y HA 0.663 5.213 4.550 0.001 0.000 0.349 127 Y C 0.107 176.131 175.900 0.207 0.000 0.977 127 Y CA -0.765 57.413 58.100 0.130 0.000 1.214 127 Y CB 1.333 39.839 38.460 0.078 0.000 1.124 127 Y HN 0.751 nan 8.280 nan 0.000 0.521 128 I N 3.666 124.335 120.570 0.165 0.000 2.466 128 I HA 0.250 4.421 4.170 0.001 0.000 0.289 128 I C -0.492 175.317 176.117 -0.514 0.000 1.026 128 I CA -0.781 60.401 61.300 -0.198 0.000 1.078 128 I CB 0.928 38.488 38.000 -0.734 0.000 1.249 128 I HN 0.543 nan 8.210 nan 0.000 0.429 129 D N 5.479 125.493 120.400 -0.643 0.000 2.488 129 D HA -0.121 4.519 4.640 0.001 0.000 0.238 129 D C 0.871 177.135 176.300 -0.060 0.000 1.138 129 D CA 0.423 53.919 54.000 -0.840 0.000 0.873 129 D CB 0.826 41.562 40.800 -0.107 0.000 1.183 129 D HN 0.590 nan 8.370 nan 0.000 0.458 130 F N 3.502 123.388 119.950 -0.106 0.000 2.192 130 F HA -0.212 4.315 4.527 0.001 0.000 0.301 130 F C 1.224 177.024 175.800 -0.001 0.000 1.079 130 F CA 1.384 59.414 58.000 0.050 0.000 1.303 130 F CB -0.044 38.837 39.000 -0.198 0.000 1.024 130 F HN 0.340 nan 8.300 nan 0.000 0.494 131 F N 0.178 120.312 119.950 0.306 0.000 2.641 131 F HA 0.408 4.935 4.527 0.001 0.000 0.302 131 F C 1.145 177.242 175.800 0.494 0.000 1.098 131 F CA -0.043 58.089 58.000 0.221 0.000 1.318 131 F CB -0.913 38.003 39.000 -0.141 0.000 1.035 131 F HN -0.058 nan 8.300 nan 0.000 0.551 132 A N -0.221 123.012 122.820 0.689 0.000 2.445 132 A HA 0.021 4.342 4.320 0.001 0.000 0.242 132 A C 0.374 178.246 177.584 0.481 0.000 1.075 132 A CA -0.263 52.097 52.037 0.539 0.000 0.777 132 A CB -0.137 19.003 19.000 0.234 0.000 1.013 132 A HN 0.408 nan 8.150 nan 0.000 0.493 133 H N 1.760 120.984 119.070 0.257 0.000 3.038 133 H HA -0.035 4.521 4.556 0.001 0.000 0.338 133 H C 1.230 176.706 175.328 0.246 0.000 1.041 133 H CA 0.822 57.007 56.048 0.228 0.000 1.394 133 H CB 0.477 30.332 29.762 0.155 0.000 1.357 133 H HN 0.761 nan 8.280 nan 0.000 0.600 134 M N 3.941 123.280 119.600 -0.435 0.000 2.260 134 M HA -0.226 4.254 4.480 0.001 0.000 0.261 134 M C 2.347 178.485 176.300 -0.270 0.000 1.066 134 M CA 2.054 57.223 55.300 -0.218 0.000 1.082 134 M CB -0.477 32.019 32.600 -0.173 0.000 1.388 134 M HN 0.656 nan 8.290 nan 0.000 0.419 135 S N -0.576 114.892 115.700 -0.387 0.000 2.399 135 S HA -0.141 4.330 4.470 0.001 0.000 0.231 135 S C 1.882 176.145 174.600 -0.562 0.000 1.022 135 S CA 1.482 59.160 58.200 -0.871 0.000 0.983 135 S CB -1.060 61.826 63.200 -0.523 0.000 0.803 135 S HN 0.630 nan 8.310 nan 0.000 0.480 136 L N -1.044 120.035 121.223 -0.240 0.000 2.072 136 L HA 0.067 4.407 4.340 0.001 0.000 0.205 136 L C 2.658 179.345 176.870 -0.304 0.000 1.079 136 L CA 1.131 55.817 54.840 -0.256 0.000 0.752 136 L CB -0.621 41.328 42.059 -0.183 0.000 0.906 136 L HN 0.308 nan 8.230 nan 0.000 0.436 137 W N 0.765 121.890 121.300 -0.292 0.000 2.329 137 W HA -0.192 4.468 4.660 0.001 0.000 0.324 137 W C 2.756 179.057 176.519 -0.364 0.000 1.222 137 W CA 1.047 58.222 57.345 -0.282 0.000 1.270 137 W CB -0.327 28.982 29.460 -0.252 0.000 1.167 137 W HN 0.026 nan 8.180 nan 0.000 0.467 138 E N -0.337 119.724 120.200 -0.233 0.000 2.085 138 E HA -0.173 4.178 4.350 0.001 0.000 0.194 138 E C 2.356 178.399 176.600 -0.929 0.000 0.994 138 E CA 1.618 57.657 56.400 -0.602 0.000 0.801 138 E CB -1.235 28.081 29.700 -0.641 0.000 0.743 138 E HN 0.399 nan 8.360 nan 0.000 0.453 139 G N 1.234 109.609 108.800 -0.707 0.000 2.440 139 G HA2 -0.245 3.716 3.960 0.001 0.000 0.218 139 G HA3 -0.245 3.716 3.960 0.001 0.000 0.218 139 G C 1.749 176.460 174.900 -0.314 0.000 1.154 139 G CA 1.451 46.255 45.100 -0.494 0.000 0.767 139 G HN 0.410 nan 8.290 nan 0.000 0.552 140 A N 0.319 122.960 122.820 -0.298 0.000 1.930 140 A HA 0.065 4.385 4.320 0.001 0.000 0.217 140 A C 2.319 179.804 177.584 -0.164 0.000 1.175 140 A CA 1.714 53.612 52.037 -0.232 0.000 0.627 140 A CB -0.382 18.449 19.000 -0.281 0.000 0.815 140 A HN 0.362 nan 8.150 nan 0.000 0.443 141 R N -1.728 118.678 120.500 -0.157 0.000 2.073 141 R HA -0.132 4.209 4.340 0.001 0.000 0.229 141 R C 1.764 178.109 176.300 0.075 0.000 1.120 141 R CA 1.469 57.539 56.100 -0.050 0.000 0.967 141 R CB -0.370 29.913 30.300 -0.028 0.000 0.862 141 R HN 0.522 nan 8.270 nan 0.000 0.436 142 Y N 0.126 120.397 120.300 -0.049 0.000 2.256 142 Y HA -0.065 4.486 4.550 0.001 0.000 0.288 142 Y C 2.205 178.053 175.900 -0.086 0.000 1.155 142 Y CA 0.739 58.810 58.100 -0.048 0.000 1.203 142 Y CB -0.778 37.656 38.460 -0.042 0.000 0.980 142 Y HN 0.192 nan 8.280 nan 0.000 0.530 143 A N -0.446 122.400 122.820 0.043 0.000 2.238 143 A HA 0.025 4.345 4.320 0.001 0.000 0.208 143 A C 0.824 178.381 177.584 -0.043 0.000 1.177 143 A CA 0.602 52.617 52.037 -0.037 0.000 0.804 143 A CB -1.049 17.902 19.000 -0.081 0.000 0.823 143 A HN 0.619 nan 8.150 nan 0.000 0.482 144 N N -2.089 116.596 118.700 -0.025 0.000 2.741 144 N HA -0.177 4.564 4.740 0.001 0.000 0.250 144 N C 0.250 175.715 175.510 -0.074 0.000 1.115 144 N CA 0.266 53.294 53.050 -0.037 0.000 0.724 144 N CB -1.469 37.003 38.487 -0.024 0.000 1.090 144 N HN 0.740 nan 8.380 nan 0.000 0.558 145 A N 0.099 122.854 122.820 -0.107 0.000 2.386 145 A HA 0.336 4.657 4.320 0.001 0.000 0.246 145 A C 0.682 178.145 177.584 -0.201 0.000 1.089 145 A CA 0.229 52.172 52.037 -0.155 0.000 0.790 145 A CB 0.379 19.265 19.000 -0.189 0.000 1.042 145 A HN 0.237 nan 8.150 nan 0.000 0.497 146 Q N 0.431 120.067 119.800 -0.274 0.000 2.390 146 Q HA 0.541 4.882 4.340 0.001 0.000 0.249 146 Q C -0.282 175.313 176.000 -0.675 0.000 0.996 146 Q CA 0.271 55.827 55.803 -0.412 0.000 0.899 146 Q CB 0.582 29.095 28.738 -0.375 0.000 1.216 146 Q HN 0.871 nan 8.270 nan 0.000 0.465 147 A N 4.913 127.407 122.820 -0.544 0.000 2.366 147 A HA 0.416 4.736 4.320 0.001 0.000 0.272 147 A C -0.881 176.334 177.584 -0.615 0.000 1.135 147 A CA -0.318 51.408 52.037 -0.518 0.000 0.804 147 A CB 0.273 19.103 19.000 -0.283 0.000 1.064 147 A HN 0.792 nan 8.150 nan 0.000 0.499 148 H N 3.057 121.987 119.070 -0.233 0.000 2.675 148 H HA 0.280 4.836 4.556 0.001 0.000 0.258 148 H C -2.738 172.620 175.328 0.049 0.000 1.271 148 H CA -2.232 53.773 56.048 -0.073 0.000 1.462 148 H CB 0.547 30.279 29.762 -0.049 0.000 1.467 148 H HN 0.411 nan 8.280 nan 0.000 0.501 149 P HA -0.047 nan 4.420 nan 0.000 0.263 149 P C -0.250 177.205 177.300 0.258 0.000 1.195 149 P CA 0.302 63.535 63.100 0.222 0.000 0.762 149 P CB -0.067 31.898 31.700 0.442 0.000 0.799 150 F N 1.112 121.158 119.950 0.160 0.000 2.508 150 F HA 0.623 5.151 4.527 0.001 0.000 0.325 150 F C 0.077 176.088 175.800 0.351 0.000 1.090 150 F CA -1.854 56.191 58.000 0.075 0.000 0.945 150 F CB 0.735 39.690 39.000 -0.075 0.000 1.156 150 F HN 0.062 nan 8.300 nan 0.000 0.463 151 M N 3.098 123.091 119.600 0.655 0.000 2.245 151 M HA -0.013 4.468 4.480 0.001 0.000 0.335 151 M C 0.064 176.584 176.300 0.368 0.000 1.155 151 M CA 0.264 55.796 55.300 0.387 0.000 1.055 151 M CB -0.152 32.615 32.600 0.279 0.000 1.670 151 M HN 0.736 nan 8.290 nan 0.000 0.447 152 H N 4.806 124.004 119.070 0.213 0.000 3.231 152 H HA -0.100 4.457 4.556 0.001 0.000 0.280 152 H C 0.287 175.709 175.328 0.157 0.000 0.901 152 H CA 1.328 57.491 56.048 0.193 0.000 1.414 152 H CB -0.112 29.808 29.762 0.263 0.000 1.433 152 H HN 0.655 nan 8.280 nan 0.000 0.549 153 N N 1.937 120.573 118.700 -0.107 0.000 2.708 153 N HA -0.294 4.447 4.740 0.001 0.000 0.251 153 N C -0.697 174.878 175.510 0.109 0.000 1.123 153 N CA 1.094 54.112 53.050 -0.054 0.000 0.739 153 N CB -1.222 37.058 38.487 -0.345 0.000 1.113 153 N HN 0.661 nan 8.380 nan 0.000 0.561 154 N N 0.634 119.494 118.700 0.267 0.000 2.645 154 N HA 0.198 4.938 4.740 0.001 0.000 0.233 154 N C 0.850 176.446 175.510 0.143 0.000 1.058 154 N CA -0.398 52.779 53.050 0.211 0.000 0.942 154 N CB -0.062 38.584 38.487 0.265 0.000 1.210 154 N HN 0.134 nan 8.380 nan 0.000 0.512 155 C N 1.459 120.779 119.300 0.032 0.000 2.432 155 C HA -0.034 4.426 4.460 0.001 0.000 0.280 155 C C 1.954 176.904 174.990 -0.067 0.000 1.353 155 C CA 0.139 59.113 59.018 -0.073 0.000 1.766 155 C CB -0.327 27.380 27.740 -0.055 0.000 1.924 155 C HN 0.650 nan 8.230 nan 0.000 0.509 156 D N -0.419 119.985 120.400 0.008 0.000 2.097 156 D HA -0.143 4.498 4.640 0.001 0.000 0.197 156 D C 1.837 178.170 176.300 0.056 0.000 0.984 156 D CA 1.269 55.280 54.000 0.019 0.000 0.826 156 D CB -0.658 40.164 40.800 0.037 0.000 0.973 156 D HN 0.675 nan 8.370 nan 0.000 0.460 157 H N 0.036 119.100 119.070 -0.010 0.000 2.352 157 H HA -0.140 4.416 4.556 0.001 0.000 0.299 157 H C 2.273 177.567 175.328 -0.056 0.000 1.097 157 H CA 0.726 56.788 56.048 0.023 0.000 1.311 157 H CB 0.050 29.892 29.762 0.133 0.000 1.377 157 H HN -0.000 nan 8.280 nan 0.000 0.504 158 L N 1.467 122.578 121.223 -0.186 0.000 2.042 158 L HA -0.170 4.170 4.340 0.001 0.000 0.210 158 L C 2.499 179.062 176.870 -0.512 0.000 1.076 158 L CA 1.491 56.019 54.840 -0.520 0.000 0.749 158 L CB -0.583 40.954 42.059 -0.869 0.000 0.893 158 L HN 0.150 nan 8.230 nan 0.000 0.432 159 R N -1.309 118.963 120.500 -0.381 0.000 2.083 159 R HA -0.226 4.114 4.340 0.001 0.000 0.237 159 R C 2.228 178.298 176.300 -0.383 0.000 1.137 159 R CA 1.973 57.818 56.100 -0.424 0.000 0.951 159 R CB -0.556 29.647 30.300 -0.162 0.000 0.851 159 R HN 0.381 nan 8.270 nan 0.000 0.434 160 M N 0.939 120.422 119.600 -0.195 0.000 2.067 160 M HA -0.139 4.342 4.480 0.001 0.000 0.260 160 M C 1.923 178.113 176.300 -0.184 0.000 1.069 160 M CA 1.697 56.926 55.300 -0.118 0.000 1.117 160 M CB -0.302 32.307 32.600 0.015 0.000 1.334 160 M HN 0.069 nan 8.290 nan 0.000 0.407 161 L N -0.501 120.598 121.223 -0.207 0.000 2.012 161 L HA -0.252 4.088 4.340 0.001 0.000 0.210 161 L C 2.367 179.078 176.870 -0.264 0.000 1.073 161 L CA 1.522 56.270 54.840 -0.154 0.000 0.748 161 L CB -0.868 41.151 42.059 -0.067 0.000 0.891 161 L HN 0.376 nan 8.230 nan 0.000 0.431 162 I N -1.353 118.818 120.570 -0.666 0.000 2.252 162 I HA -0.239 3.932 4.170 0.001 0.000 0.245 162 I C 2.701 178.608 176.117 -0.350 0.000 1.102 162 I CA 0.743 61.599 61.300 -0.741 0.000 1.385 162 I CB -0.448 36.835 38.000 -1.196 0.000 1.064 162 I HN 0.311 nan 8.210 nan 0.000 0.414 163 Q N 1.145 120.737 119.800 -0.346 0.000 2.112 163 Q HA -0.245 4.096 4.340 0.001 0.000 0.206 163 Q C 2.280 178.234 176.000 -0.076 0.000 0.987 163 Q CA 1.753 57.537 55.803 -0.033 0.000 0.858 163 Q CB -0.380 28.358 28.738 -0.000 0.000 0.905 163 Q HN 0.425 nan 8.270 nan 0.000 0.420 164 R N -1.240 119.143 120.500 -0.195 0.000 2.073 164 R HA -0.097 4.243 4.340 0.001 0.000 0.229 164 R C 1.451 177.527 176.300 -0.374 0.000 1.120 164 R CA 1.151 57.050 56.100 -0.335 0.000 0.967 164 R CB 0.115 30.089 30.300 -0.542 0.000 0.862 164 R HN 0.365 nan 8.270 nan 0.000 0.436 165 H N -1.597 117.459 119.070 -0.023 0.000 2.874 165 H HA 0.288 4.844 4.556 0.001 0.000 0.264 165 H C 0.727 176.122 175.328 0.111 0.000 1.007 165 H CA 0.808 56.869 56.048 0.022 0.000 1.207 165 H CB 1.350 31.049 29.762 -0.104 0.000 1.487 165 H HN 0.427 nan 8.280 nan 0.000 0.505 166 G N 1.535 110.463 108.800 0.212 0.000 2.592 166 G HA2 -0.169 3.791 3.960 0.001 0.000 0.684 166 G HA3 -0.169 3.791 3.960 0.001 0.000 0.684 166 G C -2.850 172.201 174.900 0.252 0.000 1.291 166 G CA -1.185 44.031 45.100 0.195 0.000 0.891 166 G HN -0.050 nan 8.290 nan 0.000 0.544 167 P HA 0.477 nan 4.420 nan 0.000 0.267 167 P C 0.769 178.211 177.300 0.236 0.000 1.200 167 P CA 1.287 64.508 63.100 0.202 0.000 0.772 167 P CB 1.033 32.813 31.700 0.134 0.000 0.855 168 G N 0.750 109.707 108.800 0.262 0.000 2.427 168 G HA2 0.501 4.461 3.960 0.001 0.000 0.306 168 G HA3 0.501 4.461 3.960 0.001 0.000 0.306 168 G C -1.770 173.234 174.900 0.174 0.000 1.280 168 G CA -0.729 44.488 45.100 0.194 0.000 0.837 168 G HN 0.368 nan 8.290 nan 0.000 0.482 169 I N 0.934 121.557 120.570 0.088 0.000 2.354 169 I HA 0.404 4.575 4.170 0.001 0.000 0.292 169 I C -0.213 176.000 176.117 0.160 0.000 0.989 169 I CA -0.536 60.817 61.300 0.089 0.000 1.188 169 I CB 1.717 39.718 38.000 0.002 0.000 1.342 169 I HN 0.204 nan 8.210 nan 0.000 0.457 170 I N 6.796 127.481 120.570 0.192 0.000 2.371 170 I HA 0.272 4.443 4.170 0.001 0.000 0.290 170 I C -0.441 175.781 176.117 0.176 0.000 1.028 170 I CA -0.500 60.928 61.300 0.214 0.000 1.345 170 I CB 1.075 39.157 38.000 0.136 0.000 1.407 170 I HN 0.229 nan 8.210 nan 0.000 0.501 171 V N 7.499 127.523 119.914 0.184 0.000 2.444 171 V HA 0.557 4.677 4.120 0.001 0.000 0.294 171 V C -0.107 176.085 176.094 0.163 0.000 1.022 171 V CA -0.581 61.781 62.300 0.102 0.000 0.850 171 V CB 1.828 33.627 31.823 -0.041 0.000 0.992 171 V HN 0.566 nan 8.190 nan 0.000 0.426 172 V N 0.660 120.664 119.914 0.150 0.000 3.130 172 V HA 0.747 4.867 4.120 0.001 0.000 0.310 172 V C -1.120 174.964 176.094 -0.017 0.000 1.158 172 V CA -0.969 61.439 62.300 0.180 0.000 1.029 172 V CB 2.464 34.464 31.823 0.295 0.000 1.057 172 V HN 0.604 nan 8.190 nan 0.000 0.436 173 D N 1.719 121.928 120.400 -0.318 0.000 2.256 173 D HA 0.421 5.061 4.640 0.001 0.000 0.250 173 D C 1.344 177.399 176.300 -0.408 0.000 1.093 173 D CA 0.584 54.268 54.000 -0.527 0.000 0.882 173 D CB 2.025 42.211 40.800 -1.023 0.000 1.185 173 D HN 0.883 nan 8.370 nan 0.000 0.437 174 S N 2.292 117.879 115.700 -0.189 0.000 2.356 174 S HA -0.072 4.398 4.470 0.001 0.000 0.223 174 S C 0.946 175.485 174.600 -0.102 0.000 1.032 174 S CA 0.602 58.741 58.200 -0.103 0.000 1.005 174 S CB -0.023 63.121 63.200 -0.093 0.000 0.867 174 S HN 0.488 nan 8.310 nan 0.000 0.449 175 I N 1.107 121.603 120.570 -0.124 0.000 2.436 175 I HA 0.371 4.542 4.170 0.001 0.000 0.289 175 I C -1.200 174.882 176.117 -0.058 0.000 1.010 175 I CA -0.961 60.314 61.300 -0.041 0.000 1.098 175 I CB 1.630 39.601 38.000 -0.050 0.000 1.266 175 I HN 0.140 nan 8.210 nan 0.000 0.434 176 Y N 3.873 124.212 120.300 0.065 0.000 2.377 176 Y HA -0.011 4.539 4.550 0.001 0.000 0.330 176 Y C 1.849 177.698 175.900 -0.085 0.000 1.108 176 Y CA 0.146 58.289 58.100 0.072 0.000 1.308 176 Y CB 1.280 39.811 38.460 0.118 0.000 1.216 176 Y HN 0.701 nan 8.280 nan 0.000 0.518 177 S N -0.310 115.407 115.700 0.029 0.000 2.382 177 S HA -0.215 4.256 4.470 0.001 0.000 0.228 177 S C 1.772 176.192 174.600 -0.300 0.000 1.027 177 S CA 1.675 59.723 58.200 -0.254 0.000 0.991 177 S CB -0.722 62.542 63.200 0.107 0.000 0.823 177 S HN 0.856 nan 8.310 nan 0.000 0.469 178 T N -0.503 113.928 114.554 -0.204 0.000 3.010 178 T HA 0.312 4.663 4.350 0.001 0.000 0.252 178 T C 1.708 176.271 174.700 -0.230 0.000 1.047 178 T CA 0.310 62.199 62.100 -0.352 0.000 1.140 178 T CB -0.462 68.246 68.868 -0.267 0.000 0.885 178 T HN 0.372 nan 8.240 nan 0.000 0.464 179 L N 0.364 121.480 121.223 -0.179 0.000 2.556 179 L HA 0.424 4.764 4.340 0.001 0.000 0.226 179 L C 2.102 178.920 176.870 -0.088 0.000 1.089 179 L CA 0.404 55.138 54.840 -0.176 0.000 0.864 179 L CB -0.283 41.573 42.059 -0.337 0.000 1.067 179 L HN 0.578 nan 8.230 nan 0.000 0.477 180 G N 1.342 110.112 108.800 -0.050 0.000 2.168 180 G HA2 -0.317 3.643 3.960 0.001 0.000 0.257 180 G HA3 -0.317 3.643 3.960 0.001 0.000 0.257 180 G C 0.480 175.404 174.900 0.040 0.000 0.997 180 G CA 0.615 45.703 45.100 -0.020 0.000 0.708 180 G HN 0.417 nan 8.290 nan 0.000 0.520 181 T N -1.337 113.278 114.554 0.101 0.000 2.813 181 T HA 0.629 4.979 4.350 0.001 0.000 0.297 181 T C 0.543 175.367 174.700 0.207 0.000 1.036 181 T CA -0.329 61.852 62.100 0.135 0.000 1.044 181 T CB 1.919 70.890 68.868 0.172 0.000 0.993 181 T HN 0.457 nan 8.240 nan 0.000 0.535 182 I N 1.226 121.876 120.570 0.133 0.000 2.404 182 I HA 0.507 4.677 4.170 0.001 0.000 0.293 182 I C 0.766 176.970 176.117 0.145 0.000 0.992 182 I CA -1.237 60.136 61.300 0.121 0.000 1.149 182 I CB 1.480 39.506 38.000 0.042 0.000 1.315 182 I HN 0.917 nan 8.210 nan 0.000 0.446 183 A N 8.078 131.028 122.820 0.217 0.000 2.483 183 A HA 0.360 4.680 4.320 0.001 0.000 0.238 183 A C -2.230 175.417 177.584 0.105 0.000 1.070 183 A CA -0.863 51.307 52.037 0.221 0.000 0.770 183 A CB -0.489 18.669 19.000 0.263 0.000 1.008 183 A HN 0.485 nan 8.150 nan 0.000 0.497 184 P HA 0.233 nan 4.420 nan 0.000 0.238 184 P C 0.549 177.879 177.300 0.051 0.000 1.794 184 P CA -0.092 63.038 63.100 0.050 0.000 1.088 184 P CB 0.184 31.905 31.700 0.035 0.000 1.923 185 L N 1.572 122.824 121.223 0.047 0.000 2.027 185 L HA -0.164 4.176 4.340 0.001 0.000 0.206 185 L C 2.509 179.397 176.870 0.031 0.000 1.074 185 L CA 1.819 56.687 54.840 0.045 0.000 0.745 185 L CB -1.004 41.076 42.059 0.035 0.000 0.898 185 L HN 0.184 nan 8.230 nan 0.000 0.433 186 A N -0.379 122.452 122.820 0.018 0.000 1.940 186 A HA -0.273 4.048 4.320 0.001 0.000 0.219 186 A C 2.265 179.856 177.584 0.012 0.000 1.176 186 A CA 1.972 54.014 52.037 0.009 0.000 0.631 186 A CB -0.532 18.470 19.000 0.003 0.000 0.814 186 A HN 0.481 nan 8.150 nan 0.000 0.446 187 E N -0.405 119.803 120.200 0.013 0.000 2.152 187 E HA -0.097 4.254 4.350 0.001 0.000 0.192 187 E C 1.869 178.474 176.600 0.008 0.000 0.983 187 E CA 0.707 57.112 56.400 0.009 0.000 0.818 187 E CB -0.134 29.570 29.700 0.005 0.000 0.758 187 E HN 0.667 nan 8.360 nan 0.000 0.467 188 L N 0.018 121.250 121.223 0.015 0.000 2.093 188 L HA -0.141 4.199 4.340 0.001 0.000 0.208 188 L C 2.447 179.338 176.870 0.035 0.000 1.085 188 L CA 0.446 55.294 54.840 0.014 0.000 0.755 188 L CB -0.228 41.857 42.059 0.044 0.000 0.904 188 L HN 0.049 nan 8.230 nan 0.000 0.435 189 V N 0.230 120.167 119.914 0.038 0.000 2.343 189 V HA -0.275 3.845 4.120 0.001 0.000 0.247 189 V C 2.262 178.379 176.094 0.038 0.000 1.051 189 V CA 1.787 64.111 62.300 0.040 0.000 1.036 189 V CB -0.594 31.238 31.823 0.016 0.000 0.654 189 V HN 0.490 nan 8.190 nan 0.000 0.451 190 N N 0.136 118.852 118.700 0.027 0.000 2.106 190 N HA -0.060 4.680 4.740 0.001 0.000 0.188 190 N C 1.793 177.336 175.510 0.055 0.000 1.029 190 N CA 1.521 54.587 53.050 0.027 0.000 0.848 190 N CB -0.351 38.145 38.487 0.015 0.000 1.007 190 N HN 0.405 nan 8.380 nan 0.000 0.423 191 I N 1.020 121.628 120.570 0.064 0.000 2.194 191 I HA -0.310 3.861 4.170 0.001 0.000 0.246 191 I C 2.420 178.634 176.117 0.161 0.000 1.093 191 I CA 1.399 62.771 61.300 0.120 0.000 1.355 191 I CB -0.411 37.590 38.000 0.003 0.000 1.046 191 I HN 0.214 nan 8.210 nan 0.000 0.413 192 S N 0.682 116.443 115.700 0.101 0.000 2.368 192 S HA -0.193 4.278 4.470 0.001 0.000 0.224 192 S C 2.005 176.688 174.600 0.139 0.000 1.029 192 S CA 0.903 59.179 58.200 0.126 0.000 0.988 192 S CB -0.312 62.975 63.200 0.145 0.000 0.838 192 S HN 0.369 nan 8.310 nan 0.000 0.462 193 K N 0.997 121.458 120.400 0.102 0.000 2.026 193 K HA -0.106 4.214 4.320 0.001 0.000 0.208 193 K C 2.462 179.081 176.600 0.031 0.000 1.048 193 K CA 1.599 57.925 56.287 0.064 0.000 0.929 193 K CB -0.279 32.237 32.500 0.028 0.000 0.713 193 K HN 0.612 nan 8.250 nan 0.000 0.439 194 E N -0.153 120.058 120.200 0.019 0.000 2.085 194 E HA -0.183 4.168 4.350 0.001 0.000 0.194 194 E C 0.923 177.386 176.600 -0.227 0.000 0.994 194 E CA 1.263 57.593 56.400 -0.116 0.000 0.801 194 E CB 0.064 29.681 29.700 -0.138 0.000 0.743 194 E HN 0.235 nan 8.360 nan 0.000 0.453 195 F N -0.632 119.300 119.950 -0.029 0.000 2.639 195 F HA 0.311 4.838 4.527 0.001 0.000 0.302 195 F C 0.961 176.756 175.800 -0.008 0.000 1.097 195 F CA 0.353 58.332 58.000 -0.035 0.000 1.294 195 F CB 1.351 40.304 39.000 -0.079 0.000 1.027 195 F HN 0.116 nan 8.300 nan 0.000 0.550 196 G N 1.168 110.043 108.800 0.124 0.000 2.314 196 G HA2 -0.281 3.679 3.960 0.001 0.000 0.292 196 G HA3 -0.281 3.679 3.960 0.001 0.000 0.292 196 G C -0.282 174.680 174.900 0.104 0.000 1.059 196 G CA -0.007 45.150 45.100 0.096 0.000 0.982 196 G HN 0.362 nan 8.290 nan 0.000 0.505 197 C N -0.063 119.303 119.300 0.110 0.000 2.454 197 C HA 0.923 5.383 4.460 0.001 0.000 0.336 197 C C 1.002 175.971 174.990 -0.035 0.000 1.189 197 C CA 0.029 59.093 59.018 0.077 0.000 1.877 197 C CB 1.425 29.231 27.740 0.109 0.000 2.348 197 C HN 1.224 nan 8.230 nan 0.000 0.508 198 A N 1.758 124.490 122.820 -0.146 0.000 2.302 198 A HA 0.739 5.059 4.320 0.001 0.000 0.285 198 A C -0.935 176.667 177.584 0.030 0.000 1.105 198 A CA -0.240 51.550 52.037 -0.412 0.000 0.816 198 A CB 0.472 19.307 19.000 -0.275 0.000 1.067 198 A HN 0.841 nan 8.150 nan 0.000 0.489 199 L N 2.035 123.405 121.223 0.244 0.000 2.356 199 L HA 0.673 5.013 4.340 0.001 0.000 0.277 199 L C -1.085 176.000 176.870 0.359 0.000 0.996 199 L CA -0.364 54.649 54.840 0.288 0.000 0.822 199 L CB 1.496 43.724 42.059 0.281 0.000 1.256 199 L HN 0.688 nan 8.230 nan 0.000 0.413 200 L N 6.031 127.413 121.223 0.264 0.000 2.325 200 L HA 0.721 5.061 4.340 0.001 0.000 0.281 200 L C -1.413 175.546 176.870 0.148 0.000 1.004 200 L CA -0.639 54.345 54.840 0.240 0.000 0.823 200 L CB 1.764 43.895 42.059 0.120 0.000 1.236 200 L HN 0.478 nan 8.230 nan 0.000 0.415 201 V N 3.824 123.815 119.914 0.128 0.000 2.378 201 V HA 0.260 4.381 4.120 0.001 0.000 0.288 201 V C -0.446 175.650 176.094 0.004 0.000 1.016 201 V CA -0.656 61.679 62.300 0.059 0.000 0.840 201 V CB 1.543 33.401 31.823 0.059 0.000 0.994 201 V HN 0.637 nan 8.190 nan 0.000 0.431 202 D N 4.067 124.454 120.400 -0.022 0.000 2.393 202 D HA 0.134 4.774 4.640 0.001 0.000 0.232 202 D C 0.626 176.886 176.300 -0.066 0.000 1.192 202 D CA -0.078 53.898 54.000 -0.040 0.000 0.882 202 D CB 1.020 41.798 40.800 -0.037 0.000 1.038 202 D HN 0.602 nan 8.370 nan 0.000 0.499 203 E N 2.030 122.185 120.200 -0.076 0.000 2.335 203 E HA 0.036 4.387 4.350 0.001 0.000 0.191 203 E C 1.135 177.703 176.600 -0.055 0.000 1.077 203 E CA -0.117 56.231 56.400 -0.087 0.000 1.010 203 E CB 0.393 30.006 29.700 -0.145 0.000 1.141 203 E HN 0.375 nan 8.360 nan 0.000 0.452 204 S N 0.404 116.056 115.700 -0.081 0.000 2.387 204 S HA -0.149 4.322 4.470 0.001 0.000 0.230 204 S C 1.334 175.816 174.600 -0.197 0.000 1.035 204 S CA 0.992 59.093 58.200 -0.165 0.000 1.014 204 S CB -0.090 62.913 63.200 -0.328 0.000 0.836 204 S HN 0.505 nan 8.310 nan 0.000 0.466 205 H N -0.298 118.827 119.070 0.092 0.000 2.586 205 H HA 0.308 4.864 4.556 0.001 0.000 0.273 205 H C 1.612 176.957 175.328 0.027 0.000 0.997 205 H CA 0.828 56.957 56.048 0.134 0.000 1.177 205 H CB 0.353 30.163 29.762 0.080 0.000 1.471 205 H HN 0.487 nan 8.280 nan 0.000 0.538 206 S N -0.446 115.295 115.700 0.068 0.000 2.613 206 S HA 0.093 4.563 4.470 0.001 0.000 0.235 206 S C 0.813 175.502 174.600 0.149 0.000 1.073 206 S CA -0.404 57.793 58.200 -0.005 0.000 0.899 206 S CB 0.257 63.300 63.200 -0.262 0.000 0.818 206 S HN 0.133 nan 8.310 nan 0.000 0.484 207 L N 3.049 124.346 121.223 0.123 0.000 2.584 207 L HA 0.380 4.721 4.340 0.001 0.000 0.272 207 L C 1.269 178.336 176.870 0.328 0.000 1.195 207 L CA 1.534 56.490 54.840 0.194 0.000 0.920 207 L CB -0.003 42.158 42.059 0.171 0.000 1.173 207 L HN 0.697 nan 8.230 nan 0.000 0.489 208 G N 2.548 111.546 108.800 0.330 0.000 2.317 208 G HA2 -0.363 3.597 3.960 0.001 0.000 0.227 208 G HA3 -0.363 3.597 3.960 0.001 0.000 0.227 208 G C 0.805 175.812 174.900 0.179 0.000 1.042 208 G CA 0.522 45.777 45.100 0.258 0.000 0.623 208 G HN 0.711 nan 8.290 nan 0.000 0.509 209 T N -2.079 112.601 114.554 0.210 0.000 3.057 209 T HA 0.451 4.801 4.350 0.001 0.000 0.254 209 T C 0.819 175.474 174.700 -0.076 0.000 1.094 209 T CA 1.358 63.515 62.100 0.094 0.000 1.088 209 T CB 0.259 69.192 68.868 0.110 0.000 0.934 209 T HN 0.638 nan 8.240 nan 0.000 0.497 210 H N -0.183 118.909 119.070 0.038 0.000 2.894 210 H HA 0.651 5.207 4.556 0.001 0.000 0.368 210 H C 0.680 176.010 175.328 0.003 0.000 1.181 210 H CA 0.050 56.105 56.048 0.012 0.000 1.146 210 H CB 1.426 31.187 29.762 -0.003 0.000 1.839 210 H HN 0.485 nan 8.280 nan 0.000 0.557 211 G N 0.677 109.543 108.800 0.110 0.000 2.828 211 G HA2 -0.164 3.796 3.960 0.001 0.000 0.463 211 G HA3 -0.164 3.796 3.960 0.001 0.000 0.463 211 G C -2.636 172.272 174.900 0.013 0.000 1.394 211 G CA -0.918 44.202 45.100 0.033 0.000 0.862 211 G HN 0.619 nan 8.290 nan 0.000 0.540 212 P HA 0.211 nan 4.420 nan 0.000 0.270 212 P C 0.279 177.596 177.300 0.029 0.000 1.242 212 P CA 0.252 63.352 63.100 0.001 0.000 0.768 212 P CB 0.233 31.921 31.700 -0.019 0.000 0.820 213 N N 3.330 122.077 118.700 0.079 0.000 2.708 213 N HA -0.215 4.525 4.740 0.001 0.000 0.251 213 N C 1.046 176.722 175.510 0.276 0.000 1.123 213 N CA 1.928 55.077 53.050 0.165 0.000 0.739 213 N CB -1.882 36.738 38.487 0.223 0.000 1.113 213 N HN 0.833 nan 8.380 nan 0.000 0.561 214 G N -1.898 107.007 108.800 0.174 0.000 2.141 214 G HA2 -0.224 3.737 3.960 0.001 0.000 0.242 214 G HA3 -0.224 3.737 3.960 0.001 0.000 0.242 214 G C 1.061 176.055 174.900 0.157 0.000 0.982 214 G CA 0.909 46.151 45.100 0.235 0.000 0.662 214 G HN 1.138 nan 8.290 nan 0.000 0.527 215 A N -0.398 122.283 122.820 -0.231 0.000 2.131 215 A HA 0.500 4.820 4.320 0.001 0.000 0.220 215 A C 2.390 179.781 177.584 -0.322 0.000 1.158 215 A CA 2.245 53.853 52.037 -0.716 0.000 0.665 215 A CB -0.399 18.197 19.000 -0.673 0.000 0.795 215 A HN 2.744 nan 8.150 nan 0.000 0.460 216 G N -2.605 106.135 108.800 -0.100 0.000 2.498 216 G HA2 -0.098 3.862 3.960 0.001 0.000 0.651 216 G HA3 -0.098 3.862 3.960 0.001 0.000 0.651 216 G C 0.366 175.246 174.900 -0.033 0.000 1.284 216 G CA -0.241 44.836 45.100 -0.038 0.000 0.950 216 G HN 0.391 nan 8.290 nan 0.000 0.511 217 L N 0.113 121.305 121.223 -0.052 0.000 2.109 217 L HA 0.104 4.444 4.340 0.001 0.000 0.207 217 L C 3.096 179.944 176.870 -0.037 0.000 1.086 217 L CA 1.143 55.954 54.840 -0.047 0.000 0.760 217 L CB -0.436 41.559 42.059 -0.106 0.000 0.910 217 L HN 0.576 nan 8.230 nan 0.000 0.437 218 L N -0.504 120.694 121.223 -0.041 0.000 2.013 218 L HA -0.266 4.075 4.340 0.001 0.000 0.212 218 L C 2.847 179.690 176.870 -0.044 0.000 1.073 218 L CA 1.480 56.307 54.840 -0.021 0.000 0.753 218 L CB -0.767 41.310 42.059 0.031 0.000 0.890 218 L HN 0.275 nan 8.230 nan 0.000 0.432 219 A N -0.444 122.336 122.820 -0.068 0.000 1.902 219 A HA -0.269 4.052 4.320 0.001 0.000 0.217 219 A C 2.242 179.792 177.584 -0.058 0.000 1.181 219 A CA 1.860 53.845 52.037 -0.087 0.000 0.623 219 A CB -0.576 18.340 19.000 -0.140 0.000 0.818 219 A HN 0.480 nan 8.150 nan 0.000 0.443 220 E N -0.340 119.839 120.200 -0.036 0.000 2.118 220 E HA -0.160 4.190 4.350 0.001 0.000 0.195 220 E C 1.565 178.158 176.600 -0.013 0.000 0.992 220 E CA 1.153 57.547 56.400 -0.011 0.000 0.804 220 E CB -0.157 29.558 29.700 0.024 0.000 0.741 220 E HN 0.635 nan 8.360 nan 0.000 0.458 221 L N -0.760 120.453 121.223 -0.018 0.000 2.591 221 L HA 0.184 4.525 4.340 0.001 0.000 0.228 221 L C 1.236 178.089 176.870 -0.028 0.000 1.133 221 L CA 0.321 55.151 54.840 -0.017 0.000 0.880 221 L CB 0.284 42.336 42.059 -0.012 0.000 1.033 221 L HN 0.362 nan 8.230 nan 0.000 0.450 222 G N 0.609 109.384 108.800 -0.042 0.000 2.198 222 G HA2 -0.280 3.681 3.960 0.001 0.000 0.257 222 G HA3 -0.280 3.681 3.960 0.001 0.000 0.257 222 G C 0.549 175.409 174.900 -0.067 0.000 1.042 222 G CA 0.261 45.328 45.100 -0.055 0.000 0.791 222 G HN 0.365 nan 8.290 nan 0.000 0.502 223 L N -0.288 120.894 121.223 -0.068 0.000 2.693 223 L HA 0.113 4.453 4.340 0.001 0.000 0.235 223 L C 2.639 179.434 176.870 -0.125 0.000 1.127 223 L CA 0.755 55.550 54.840 -0.075 0.000 0.914 223 L CB -0.161 41.875 42.059 -0.038 0.000 1.193 223 L HN 0.244 nan 8.230 nan 0.000 0.502 224 T N -0.185 114.271 114.554 -0.164 0.000 2.685 224 T HA -0.211 4.139 4.350 0.001 0.000 0.268 224 T C 1.888 176.292 174.700 -0.493 0.000 1.034 224 T CA 1.304 63.211 62.100 -0.321 0.000 1.149 224 T CB -0.162 68.511 68.868 -0.325 0.000 0.860 224 T HN 0.148 nan 8.240 nan 0.000 0.449 225 R N 1.581 121.879 120.500 -0.336 0.000 2.323 225 R HA 0.043 4.384 4.340 0.001 0.000 0.198 225 R C 1.499 177.631 176.300 -0.280 0.000 0.988 225 R CA 0.451 56.360 56.100 -0.319 0.000 1.041 225 R CB -0.184 29.987 30.300 -0.216 0.000 0.926 225 R HN 0.732 nan 8.270 nan 0.000 0.476 226 E N -0.761 119.290 120.200 -0.249 0.000 2.660 226 E HA 0.143 4.493 4.350 0.001 0.000 0.216 226 E C -0.315 176.141 176.600 -0.239 0.000 0.986 226 E CA -0.137 56.124 56.400 -0.230 0.000 1.037 226 E CB 0.661 30.278 29.700 -0.138 0.000 1.041 226 E HN -0.178 nan 8.360 nan 0.000 0.480 227 V N 1.738 121.519 119.914 -0.223 0.000 2.483 227 V HA 0.132 4.252 4.120 0.001 0.000 0.295 227 V C 0.612 176.625 176.094 -0.135 0.000 1.035 227 V CA -0.516 61.744 62.300 -0.066 0.000 0.896 227 V CB 1.285 33.205 31.823 0.163 0.000 0.986 227 V HN 0.199 nan 8.190 nan 0.000 0.447 228 H N 3.348 122.383 119.070 -0.057 0.000 2.363 228 H HA 0.211 4.768 4.556 0.001 0.000 0.301 228 H C -0.313 174.686 175.328 -0.548 0.000 1.074 228 H CA 1.489 57.287 56.048 -0.417 0.000 1.354 228 H CB 0.014 29.419 29.762 -0.595 0.000 1.397 228 H HN 0.521 nan 8.280 nan 0.000 0.516 229 F N -0.446 119.744 119.950 0.399 0.000 2.591 229 F HA 0.376 4.903 4.527 0.001 0.000 0.309 229 F C -0.443 175.393 175.800 0.060 0.000 1.098 229 F CA -1.078 57.059 58.000 0.228 0.000 0.937 229 F CB 2.176 41.258 39.000 0.137 0.000 1.250 229 F HN -0.124 nan 8.300 nan 0.000 0.447 230 M N 2.927 122.501 119.600 -0.043 0.000 2.446 230 M HA 0.713 5.193 4.480 0.001 0.000 0.294 230 M C -1.467 174.863 176.300 0.050 0.000 1.158 230 M CA -0.134 55.055 55.300 -0.185 0.000 0.899 230 M CB 2.522 34.683 32.600 -0.733 0.000 1.687 230 M HN 0.791 nan 8.290 nan 0.000 0.455 231 T N 1.066 115.666 114.554 0.077 0.000 2.887 231 T HA 0.999 5.349 4.350 0.001 0.000 0.292 231 T C -0.987 173.812 174.700 0.164 0.000 1.087 231 T CA -0.570 61.646 62.100 0.192 0.000 1.009 231 T CB 2.011 70.918 68.868 0.067 0.000 1.203 231 T HN 1.190 nan 8.240 nan 0.000 0.518 232 A N 0.781 123.737 122.820 0.227 0.000 2.565 232 A HA 0.689 5.010 4.320 0.001 0.000 0.298 232 A C -0.151 177.485 177.584 0.086 0.000 1.062 232 A CA -0.600 51.522 52.037 0.141 0.000 0.723 232 A CB 1.203 20.325 19.000 0.203 0.000 1.282 232 A HN 1.255 nan 8.150 nan 0.000 0.400 233 S N 0.644 116.350 115.700 0.011 0.000 2.560 233 S HA 0.310 4.780 4.470 0.001 0.000 0.284 233 S C 0.448 175.077 174.600 0.047 0.000 1.327 233 S CA -0.168 58.039 58.200 0.011 0.000 1.055 233 S CB 0.092 63.271 63.200 -0.035 0.000 0.868 233 S HN 0.798 nan 8.310 nan 0.000 0.506 234 L N 4.360 125.613 121.223 0.051 0.000 2.628 234 L HA 0.391 4.731 4.340 0.001 0.000 0.229 234 L C 1.779 178.758 176.870 0.181 0.000 1.137 234 L CA 0.564 55.459 54.840 0.092 0.000 0.909 234 L CB -0.743 41.334 42.059 0.030 0.000 1.137 234 L HN 0.845 nan 8.230 nan 0.000 0.470 235 A N -1.695 121.187 122.820 0.103 0.000 2.379 235 A HA 0.199 4.520 4.320 0.001 0.000 0.236 235 A C 1.537 179.149 177.584 0.045 0.000 1.272 235 A CA 0.133 52.214 52.037 0.073 0.000 0.886 235 A CB -0.127 18.887 19.000 0.024 0.000 0.962 235 A HN 0.064 nan 8.150 nan 0.000 0.504 236 K N -1.002 119.439 120.400 0.068 0.000 4.259 236 K HA 0.221 4.541 4.320 0.001 0.000 0.182 236 K C 1.575 178.205 176.600 0.050 0.000 1.151 236 K CA 1.021 57.302 56.287 -0.009 0.000 1.809 236 K CB -1.385 31.132 32.500 0.029 0.000 2.506 236 K HN 0.076 nan 8.250 nan 0.000 0.516 237 T N 1.850 116.521 114.554 0.194 0.000 2.759 237 T HA -0.071 4.279 4.350 0.001 0.000 0.269 237 T C 1.710 176.457 174.700 0.079 0.000 1.042 237 T CA 1.365 63.569 62.100 0.174 0.000 1.140 237 T CB -0.319 68.692 68.868 0.239 0.000 0.864 237 T HN 0.103 nan 8.240 nan 0.000 0.455 238 F N 1.244 121.251 119.950 0.095 0.000 2.699 238 F HA 0.377 4.905 4.527 0.001 0.000 0.298 238 F C 1.659 177.521 175.800 0.103 0.000 1.154 238 F CA -0.069 57.982 58.000 0.084 0.000 1.457 238 F CB -0.650 38.409 39.000 0.098 0.000 1.106 238 F HN 0.175 nan 8.300 nan 0.000 0.585 239 A N -0.389 122.563 122.820 0.220 0.000 2.687 239 A HA -0.292 4.029 4.320 0.001 0.000 0.299 239 A C -0.373 177.363 177.584 0.253 0.000 1.497 239 A CA 0.944 53.076 52.037 0.159 0.000 0.751 239 A CB -2.625 16.439 19.000 0.105 0.000 1.048 239 A HN 0.478 nan 8.150 nan 0.000 0.464 240 Y N -2.054 118.306 120.300 0.100 0.000 2.544 240 Y HA 0.568 5.118 4.550 0.001 0.000 0.342 240 Y C 0.203 176.131 175.900 0.046 0.000 1.062 240 Y CA -0.900 57.244 58.100 0.074 0.000 1.023 240 Y CB 1.174 39.687 38.460 0.088 0.000 1.308 240 Y HN 0.352 nan 8.280 nan 0.000 0.457 241 R N 3.566 123.712 120.500 -0.591 0.000 2.893 241 R HA 0.663 5.004 4.340 0.001 0.000 0.243 241 R C -1.272 174.950 176.300 -0.131 0.000 1.481 241 R CA 0.513 56.426 56.100 -0.313 0.000 1.250 241 R CB -0.713 29.371 30.300 -0.359 0.000 1.213 241 R HN 0.692 nan 8.270 nan 0.000 0.609 242 A N 1.325 124.163 122.820 0.029 0.000 2.511 242 A HA 0.726 5.046 4.320 0.001 0.000 0.293 242 A C -1.119 176.485 177.584 0.033 0.000 1.098 242 A CA -0.406 51.670 52.037 0.064 0.000 0.643 242 A CB 1.211 20.305 19.000 0.157 0.000 1.302 242 A HN 0.600 nan 8.150 nan 0.000 0.446 243 G N -1.660 107.135 108.800 -0.008 0.000 2.725 243 G HA2 0.928 4.889 3.960 0.001 0.000 0.288 243 G HA3 0.928 4.889 3.960 0.001 0.000 0.288 243 G C -0.780 174.039 174.900 -0.136 0.000 1.399 243 G CA 0.095 45.174 45.100 -0.036 0.000 0.859 243 G HN 2.137 nan 8.290 nan 0.000 0.479 244 A N -0.591 122.114 122.820 -0.191 0.000 2.549 244 A HA 0.781 5.101 4.320 0.001 0.000 0.297 244 A C -1.331 176.021 177.584 -0.387 0.000 1.061 244 A CA -0.536 51.219 52.037 -0.469 0.000 0.690 244 A CB 1.334 19.740 19.000 -0.990 0.000 1.287 244 A HN 0.665 nan 8.150 nan 0.000 0.402 245 I N 2.081 122.399 120.570 -0.421 0.000 2.389 245 I HA 0.312 4.483 4.170 0.001 0.000 0.288 245 I C -0.708 175.267 176.117 -0.236 0.000 0.999 245 I CA -0.262 60.931 61.300 -0.179 0.000 1.129 245 I CB 1.122 39.057 38.000 -0.108 0.000 1.288 245 I HN 0.602 nan 8.210 nan 0.000 0.444 246 W N 5.127 126.336 121.300 -0.153 0.000 2.496 246 W HA 0.510 5.170 4.660 0.001 0.000 0.327 246 W C -0.658 175.842 176.519 -0.032 0.000 1.086 246 W CA -0.506 56.724 57.345 -0.193 0.000 1.222 246 W CB 1.979 31.082 29.460 -0.595 0.000 1.304 246 W HN 0.348 nan 8.180 nan 0.000 0.547 247 C N 2.356 121.883 119.300 0.377 0.000 2.609 247 C HA 0.220 4.681 4.460 0.001 0.000 0.313 247 C C 0.646 175.861 174.990 0.374 0.000 1.175 247 C CA -0.724 58.521 59.018 0.379 0.000 1.434 247 C CB 1.449 29.373 27.740 0.307 0.000 2.005 247 C HN 0.545 nan 8.230 nan 0.000 0.471 248 N N 2.906 121.737 118.700 0.219 0.000 2.558 248 N HA 0.189 4.930 4.740 0.001 0.000 0.281 248 N C -0.172 175.323 175.510 -0.026 0.000 1.219 248 N CA 0.128 53.201 53.050 0.038 0.000 0.942 248 N CB -0.125 38.264 38.487 -0.163 0.000 1.241 248 N HN 0.965 nan 8.380 nan 0.000 0.511 249 N N -2.086 116.636 118.700 0.036 0.000 3.505 249 N HA 0.039 4.779 4.740 0.001 0.000 0.349 249 N C -0.212 175.353 175.510 0.092 0.000 1.491 249 N CA -0.585 52.490 53.050 0.042 0.000 0.859 249 N CB 0.878 39.377 38.487 0.021 0.000 2.068 249 N HN -0.177 nan 8.380 nan 0.000 0.500 250 E N -0.628 119.634 120.200 0.104 0.000 2.474 250 E HA 0.201 4.551 4.350 0.001 0.000 0.195 250 E C 0.571 177.249 176.600 0.129 0.000 1.039 250 E CA -0.068 56.394 56.400 0.103 0.000 0.881 250 E CB 0.215 29.966 29.700 0.084 0.000 0.970 250 E HN 0.386 nan 8.360 nan 0.000 0.486 251 V N 1.603 121.628 119.914 0.185 0.000 2.407 251 V HA -0.267 3.854 4.120 0.001 0.000 0.248 251 V C 1.806 177.977 176.094 0.128 0.000 1.055 251 V CA 1.471 63.887 62.300 0.195 0.000 1.049 251 V CB -0.412 31.618 31.823 0.345 0.000 0.662 251 V HN 0.349 nan 8.190 nan 0.000 0.455 252 N N 0.172 118.944 118.700 0.120 0.000 2.519 252 N HA -0.142 4.598 4.740 0.001 0.000 0.186 252 N C 1.841 177.368 175.510 0.028 0.000 1.062 252 N CA 0.826 53.904 53.050 0.047 0.000 0.910 252 N CB -0.296 38.207 38.487 0.026 0.000 0.958 252 N HN 0.430 nan 8.380 nan 0.000 0.445 253 R N -0.756 119.788 120.500 0.073 0.000 2.148 253 R HA 0.129 4.470 4.340 0.001 0.000 0.223 253 R C 1.932 178.329 176.300 0.161 0.000 1.088 253 R CA 0.663 56.827 56.100 0.106 0.000 0.985 253 R CB -0.433 29.936 30.300 0.116 0.000 0.880 253 R HN 0.255 nan 8.270 nan 0.000 0.451 254 C N -1.289 118.088 119.300 0.127 0.000 2.611 254 C HA 0.203 4.664 4.460 0.001 0.000 0.282 254 C C 2.413 177.448 174.990 0.075 0.000 1.321 254 C CA -0.327 58.795 59.018 0.173 0.000 1.747 254 C CB -0.236 27.583 27.740 0.132 0.000 2.124 254 C HN 0.198 nan 8.230 nan 0.000 0.531 255 V N 2.712 122.618 119.914 -0.013 0.000 2.282 255 V HA -0.193 3.928 4.120 0.001 0.000 0.249 255 V C -0.238 175.754 176.094 -0.169 0.000 1.057 255 V CA 2.470 64.727 62.300 -0.072 0.000 1.032 255 V CB -1.817 29.958 31.823 -0.081 0.000 0.645 255 V HN 0.374 nan 8.190 nan 0.000 0.447 256 P HA -0.114 nan 4.420 nan 0.000 0.219 256 P C 1.006 177.891 177.300 -0.692 0.000 1.146 256 P CA 1.492 64.226 63.100 -0.610 0.000 0.808 256 P CB -0.117 31.031 31.700 -0.919 0.000 0.779 257 F N -2.836 117.099 119.950 -0.024 0.000 2.653 257 F HA 0.323 4.850 4.527 0.001 0.000 0.304 257 F C 1.738 177.539 175.800 0.003 0.000 1.092 257 F CA 0.088 58.072 58.000 -0.028 0.000 1.279 257 F CB -0.354 38.634 39.000 -0.020 0.000 1.044 257 F HN -0.145 nan 8.300 nan 0.000 0.564 258 I N -2.178 118.456 120.570 0.107 0.000 3.873 258 I HA 0.039 4.210 4.170 0.001 0.000 0.284 258 I C 1.147 177.337 176.117 0.122 0.000 1.186 258 I CA 0.082 61.453 61.300 0.118 0.000 1.362 258 I CB 0.045 38.090 38.000 0.076 0.000 1.432 258 I HN -0.090 nan 8.210 nan 0.000 0.454 259 S N 0.911 116.645 115.700 0.057 0.000 2.546 259 S HA -0.029 4.441 4.470 0.001 0.000 0.290 259 S C 1.096 175.847 174.600 0.253 0.000 1.262 259 S CA -0.085 58.164 58.200 0.082 0.000 1.083 259 S CB 0.183 63.394 63.200 0.018 0.000 0.859 259 S HN 0.162 nan 8.310 nan 0.000 0.495 260 Y N 5.250 125.625 120.300 0.125 0.000 2.128 260 Y HA 0.034 4.585 4.550 0.001 0.000 0.284 260 Y C -0.490 175.540 175.900 0.217 0.000 1.154 260 Y CA 0.825 59.084 58.100 0.266 0.000 1.149 260 Y CB -2.253 36.381 38.460 0.290 0.000 0.976 260 Y HN 0.597 nan 8.280 nan 0.000 0.505 261 P HA -0.121 nan 4.420 nan 0.000 0.218 261 P C 1.375 178.736 177.300 0.101 0.000 1.148 261 P CA 2.237 65.459 63.100 0.205 0.000 0.822 261 P CB -0.088 31.730 31.700 0.195 0.000 0.784 262 A N -1.462 121.390 122.820 0.053 0.000 2.016 262 A HA -0.058 4.263 4.320 0.001 0.000 0.217 262 A C 2.084 179.601 177.584 -0.113 0.000 1.162 262 A CA 1.050 53.060 52.037 -0.045 0.000 0.662 262 A CB -1.210 17.736 19.000 -0.090 0.000 0.812 262 A HN 0.122 nan 8.150 nan 0.000 0.450 263 I N -2.514 117.961 120.570 -0.158 0.000 2.429 263 I HA -0.011 4.159 4.170 0.001 0.000 0.247 263 I C 1.098 176.921 176.117 -0.490 0.000 1.099 263 I CA 0.909 61.948 61.300 -0.435 0.000 1.422 263 I CB 0.024 37.521 38.000 -0.838 0.000 1.112 263 I HN 0.267 nan 8.210 nan 0.000 0.430 264 F N -0.266 119.665 119.950 -0.031 0.000 2.639 264 F HA 0.285 4.812 4.527 0.001 0.000 0.302 264 F C 0.784 176.567 175.800 -0.029 0.000 1.097 264 F CA -0.081 57.886 58.000 -0.055 0.000 1.294 264 F CB 0.289 39.221 39.000 -0.112 0.000 1.027 264 F HN -0.197 nan 8.300 nan 0.000 0.550 265 S N 0.021 115.782 115.700 0.102 0.000 2.521 265 S HA 0.454 4.924 4.470 0.001 0.000 0.295 265 S C -0.071 174.541 174.600 0.020 0.000 1.098 265 S CA -0.775 57.467 58.200 0.069 0.000 0.999 265 S CB 0.849 64.096 63.200 0.079 0.000 1.034 265 S HN 0.195 nan 8.310 nan 0.000 0.483 266 S N 3.153 118.860 115.700 0.012 0.000 2.563 266 S HA 0.179 4.649 4.470 0.001 0.000 0.284 266 S C 0.515 175.104 174.600 -0.018 0.000 1.331 266 S CA -0.102 58.094 58.200 -0.006 0.000 1.047 266 S CB 0.597 63.795 63.200 -0.004 0.000 0.859 266 S HN 0.743 nan 8.310 nan 0.000 0.514 267 T N 2.995 117.529 114.554 -0.033 0.000 2.813 267 T HA 0.240 4.591 4.350 0.001 0.000 0.297 267 T C 0.382 175.051 174.700 -0.050 0.000 1.036 267 T CA -0.807 61.265 62.100 -0.046 0.000 1.044 267 T CB -0.107 68.727 68.868 -0.056 0.000 0.993 267 T HN 0.591 nan 8.240 nan 0.000 0.535 268 L N 4.039 125.226 121.223 -0.059 0.000 2.525 268 L HA 0.085 4.425 4.340 0.001 0.000 0.278 268 L C 0.622 177.420 176.870 -0.120 0.000 1.218 268 L CA -0.053 54.741 54.840 -0.077 0.000 0.878 268 L CB 0.054 42.076 42.059 -0.062 0.000 1.127 268 L HN 0.598 nan 8.230 nan 0.000 0.492 269 L N 6.192 127.299 121.223 -0.194 0.000 2.467 269 L HA 0.082 4.423 4.340 0.001 0.000 0.270 269 L C -1.060 175.628 176.870 -0.304 0.000 1.205 269 L CA -0.965 53.721 54.840 -0.257 0.000 0.828 269 L CB -0.081 41.750 42.059 -0.380 0.000 1.101 269 L HN 0.389 nan 8.230 nan 0.000 0.479 270 P HA -0.171 nan 4.420 nan 0.000 0.220 270 P C 1.313 178.575 177.300 -0.064 0.000 1.148 270 P CA 1.344 64.392 63.100 -0.086 0.000 0.803 270 P CB -0.012 31.683 31.700 -0.007 0.000 0.782 271 Y N -0.312 119.985 120.300 -0.005 0.000 2.509 271 Y HA 0.053 4.604 4.550 0.001 0.000 0.293 271 Y C 1.672 177.553 175.900 -0.031 0.000 1.133 271 Y CA 0.410 58.502 58.100 -0.012 0.000 1.283 271 Y CB -1.578 36.884 38.460 0.004 0.000 1.001 271 Y HN 0.007 nan 8.280 nan 0.000 0.555 272 E N 1.228 121.180 120.200 -0.414 0.000 2.106 272 E HA -0.125 4.225 4.350 0.001 0.000 0.192 272 E C 2.433 178.865 176.600 -0.280 0.000 0.984 272 E CA 0.963 57.198 56.400 -0.276 0.000 0.806 272 E CB -0.232 29.364 29.700 -0.173 0.000 0.750 272 E HN 0.612 nan 8.360 nan 0.000 0.458 273 A N 1.856 124.562 122.820 -0.190 0.000 1.933 273 A HA -0.114 4.206 4.320 0.001 0.000 0.218 273 A C 2.449 179.957 177.584 -0.127 0.000 1.175 273 A CA 1.642 53.586 52.037 -0.156 0.000 0.628 273 A CB -0.600 18.335 19.000 -0.109 0.000 0.814 273 A HN 0.285 nan 8.150 nan 0.000 0.444 274 A N -0.376 122.397 122.820 -0.077 0.000 1.908 274 A HA 0.078 4.398 4.320 0.001 0.000 0.218 274 A C 2.429 179.973 177.584 -0.067 0.000 1.181 274 A CA 2.015 54.027 52.037 -0.043 0.000 0.627 274 A CB -1.441 17.565 19.000 0.010 0.000 0.818 274 A HN 0.751 nan 8.150 nan 0.000 0.445 275 G N -0.204 108.532 108.800 -0.108 0.000 2.446 275 G HA2 -0.173 3.788 3.960 0.001 0.000 0.217 275 G HA3 -0.173 3.788 3.960 0.001 0.000 0.217 275 G C 1.366 176.169 174.900 -0.161 0.000 1.168 275 G CA 1.062 46.077 45.100 -0.141 0.000 0.771 275 G HN 0.335 nan 8.290 nan 0.000 0.551 276 L N 1.128 122.217 121.223 -0.224 0.000 2.079 276 L HA -0.095 4.246 4.340 0.001 0.000 0.210 276 L C 2.786 179.648 176.870 -0.014 0.000 1.081 276 L CA 1.657 56.439 54.840 -0.097 0.000 0.752 276 L CB -1.313 40.666 42.059 -0.133 0.000 0.896 276 L HN 0.471 nan 8.230 nan 0.000 0.433 277 E N -0.953 119.218 120.200 -0.048 0.000 2.051 277 E HA -0.187 4.163 4.350 0.001 0.000 0.192 277 E C 1.995 178.567 176.600 -0.046 0.000 0.991 277 E CA 1.745 58.124 56.400 -0.034 0.000 0.799 277 E CB -0.219 29.461 29.700 -0.034 0.000 0.748 277 E HN 0.465 nan 8.360 nan 0.000 0.449 278 T N 0.839 115.359 114.554 -0.057 0.000 2.737 278 T HA -0.123 4.227 4.350 0.001 0.000 0.265 278 T C 2.086 176.713 174.700 -0.122 0.000 1.038 278 T CA 1.685 63.739 62.100 -0.077 0.000 1.144 278 T CB -0.445 68.384 68.868 -0.064 0.000 0.866 278 T HN 0.176 nan 8.240 nan 0.000 0.434 279 T N 2.808 117.296 114.554 -0.110 0.000 2.635 279 T HA -0.122 4.228 4.350 0.001 0.000 0.267 279 T C 1.895 176.450 174.700 -0.242 0.000 1.040 279 T CA 1.233 63.236 62.100 -0.162 0.000 1.156 279 T CB -0.615 68.227 68.868 -0.044 0.000 0.863 279 T HN 0.140 nan 8.240 nan 0.000 0.430 280 L N 1.575 122.732 121.223 -0.111 0.000 2.013 280 L HA -0.147 4.194 4.340 0.001 0.000 0.212 280 L C 2.240 178.964 176.870 -0.243 0.000 1.073 280 L CA 1.859 56.591 54.840 -0.180 0.000 0.753 280 L CB -0.860 41.160 42.059 -0.064 0.000 0.890 280 L HN 0.333 nan 8.230 nan 0.000 0.432 281 E N -0.577 119.529 120.200 -0.158 0.000 2.051 281 E HA -0.243 4.108 4.350 0.001 0.000 0.192 281 E C 2.211 178.730 176.600 -0.135 0.000 0.991 281 E CA 1.632 57.960 56.400 -0.121 0.000 0.799 281 E CB -0.284 29.368 29.700 -0.080 0.000 0.748 281 E HN 0.512 nan 8.360 nan 0.000 0.449 282 I N 1.121 121.580 120.570 -0.185 0.000 2.226 282 I HA -0.277 3.893 4.170 0.001 0.000 0.245 282 I C 2.279 178.294 176.117 -0.171 0.000 1.100 282 I CA 1.212 62.393 61.300 -0.199 0.000 1.374 282 I CB -0.182 37.602 38.000 -0.360 0.000 1.057 282 I HN 0.099 nan 8.210 nan 0.000 0.413 283 I N 0.061 120.484 120.570 -0.245 0.000 2.179 283 I HA -0.301 3.869 4.170 0.001 0.000 0.242 283 I C 2.405 178.467 176.117 -0.090 0.000 1.088 283 I CA 1.460 62.629 61.300 -0.219 0.000 1.357 283 I CB -0.495 37.251 38.000 -0.422 0.000 1.051 283 I HN 0.272 nan 8.210 nan 0.000 0.409 284 E N 0.306 120.446 120.200 -0.099 0.000 2.130 284 E HA -0.207 4.144 4.350 0.001 0.000 0.196 284 E C 2.049 178.672 176.600 0.038 0.000 0.998 284 E CA 1.554 57.970 56.400 0.028 0.000 0.806 284 E CB -0.045 29.661 29.700 0.010 0.000 0.738 284 E HN 0.351 nan 8.360 nan 0.000 0.459 285 S N -0.311 115.388 115.700 -0.002 0.000 2.548 285 S HA 0.160 4.630 4.470 0.001 0.000 0.215 285 S C 0.959 175.567 174.600 0.014 0.000 0.976 285 S CA 0.101 58.307 58.200 0.010 0.000 0.908 285 S CB 0.772 63.973 63.200 0.002 0.000 0.781 285 S HN 0.228 nan 8.310 nan 0.000 0.519 286 A N 1.504 124.329 122.820 0.008 0.000 3.033 286 A HA 0.206 4.527 4.320 0.001 0.000 0.250 286 A C 0.755 178.355 177.584 0.027 0.000 1.633 286 A CA -0.252 51.794 52.037 0.015 0.000 1.290 286 A CB -0.391 18.611 19.000 0.004 0.000 1.048 286 A HN 0.106 nan 8.150 nan 0.000 0.648 287 D N 1.318 121.735 120.400 0.028 0.000 2.144 287 D HA -0.179 4.461 4.640 0.001 0.000 0.199 287 D C 2.065 178.381 176.300 0.028 0.000 0.984 287 D CA 1.624 55.641 54.000 0.027 0.000 0.834 287 D CB -0.045 40.771 40.800 0.026 0.000 0.955 287 D HN 0.728 nan 8.370 nan 0.000 0.465 288 N N 1.504 120.221 118.700 0.028 0.000 2.043 288 N HA -0.217 4.524 4.740 0.001 0.000 0.193 288 N C 1.717 177.260 175.510 0.055 0.000 1.037 288 N CA 1.068 54.137 53.050 0.033 0.000 0.851 288 N CB -0.627 37.871 38.487 0.017 0.000 1.027 288 N HN 0.194 nan 8.380 nan 0.000 0.422 289 R N 0.400 120.932 120.500 0.053 0.000 2.075 289 R HA 0.094 4.434 4.340 0.001 0.000 0.232 289 R C 2.701 179.054 176.300 0.088 0.000 1.126 289 R CA 1.044 57.194 56.100 0.083 0.000 0.963 289 R CB -0.228 30.114 30.300 0.071 0.000 0.858 289 R HN 0.299 nan 8.270 nan 0.000 0.435 290 R N 0.807 121.334 120.500 0.045 0.000 2.097 290 R HA -0.249 4.091 4.340 0.001 0.000 0.236 290 R C 2.544 178.838 176.300 -0.009 0.000 1.135 290 R CA 2.136 58.237 56.100 0.001 0.000 0.934 290 R CB -0.452 29.838 30.300 -0.016 0.000 0.846 290 R HN 0.365 nan 8.270 nan 0.000 0.431 291 Q N 0.104 119.914 119.800 0.017 0.000 2.030 291 Q HA -0.286 4.055 4.340 0.001 0.000 0.204 291 Q C 2.044 178.070 176.000 0.042 0.000 0.986 291 Q CA 2.206 58.020 55.803 0.019 0.000 0.843 291 Q CB -0.314 28.445 28.738 0.034 0.000 0.904 291 Q HN 0.498 nan 8.270 nan 0.000 0.420 292 H N 0.233 119.299 119.070 -0.008 0.000 2.352 292 H HA -0.150 4.406 4.556 0.001 0.000 0.299 292 H C 1.952 177.279 175.328 -0.000 0.000 1.097 292 H CA 1.837 57.886 56.048 0.001 0.000 1.311 292 H CB -0.233 29.535 29.762 0.010 0.000 1.377 292 H HN 0.337 nan 8.280 nan 0.000 0.504 293 L N 0.398 121.608 121.223 -0.023 0.000 2.056 293 L HA -0.075 4.265 4.340 0.001 0.000 0.207 293 L C 2.022 178.824 176.870 -0.114 0.000 1.078 293 L CA 2.395 57.190 54.840 -0.076 0.000 0.749 293 L CB -0.907 41.155 42.059 0.005 0.000 0.901 293 L HN 0.412 nan 8.230 nan 0.000 0.433 294 D N -0.805 119.536 120.400 -0.100 0.000 2.149 294 D HA -0.276 4.365 4.640 0.001 0.000 0.198 294 D C 2.377 178.623 176.300 -0.089 0.000 0.990 294 D CA 1.507 55.446 54.000 -0.103 0.000 0.839 294 D CB -0.110 40.629 40.800 -0.102 0.000 0.948 294 D HN 0.344 nan 8.370 nan 0.000 0.460 295 R N -0.786 119.652 120.500 -0.103 0.000 2.073 295 R HA -0.088 4.253 4.340 0.001 0.000 0.229 295 R C 2.017 178.241 176.300 -0.127 0.000 1.120 295 R CA 1.105 57.147 56.100 -0.097 0.000 0.967 295 R CB -0.080 30.172 30.300 -0.080 0.000 0.862 295 R HN 0.175 nan 8.270 nan 0.000 0.436 296 M N 0.575 120.045 119.600 -0.216 0.000 2.117 296 M HA -0.065 4.415 4.480 0.001 0.000 0.262 296 M C 2.399 178.641 176.300 -0.096 0.000 1.065 296 M CA 1.706 56.895 55.300 -0.186 0.000 1.114 296 M CB -1.241 31.202 32.600 -0.262 0.000 1.361 296 M HN 0.302 nan 8.290 nan 0.000 0.408 297 A N -0.229 122.541 122.820 -0.084 0.000 1.902 297 A HA -0.179 4.142 4.320 0.001 0.000 0.217 297 A C 2.425 179.986 177.584 -0.039 0.000 1.181 297 A CA 1.836 53.843 52.037 -0.049 0.000 0.623 297 A CB -0.676 18.297 19.000 -0.045 0.000 0.818 297 A HN 0.465 nan 8.150 nan 0.000 0.443 298 R N -0.252 120.223 120.500 -0.042 0.000 2.081 298 R HA -0.188 4.152 4.340 0.001 0.000 0.235 298 R C 2.246 178.529 176.300 -0.027 0.000 1.131 298 R CA 1.952 58.034 56.100 -0.030 0.000 0.960 298 R CB -0.203 30.080 30.300 -0.028 0.000 0.856 298 R HN 0.424 nan 8.270 nan 0.000 0.436 299 K N 0.765 121.144 120.400 -0.034 0.000 2.032 299 K HA -0.145 4.176 4.320 0.001 0.000 0.209 299 K C 1.954 178.542 176.600 -0.021 0.000 1.048 299 K CA 1.535 57.807 56.287 -0.026 0.000 0.927 299 K CB -0.519 31.963 32.500 -0.030 0.000 0.712 299 K HN 0.225 nan 8.250 nan 0.000 0.441 300 L N 0.399 121.608 121.223 -0.023 0.000 2.017 300 L HA -0.189 4.152 4.340 0.001 0.000 0.208 300 L C 2.535 179.392 176.870 -0.022 0.000 1.073 300 L CA 1.630 56.460 54.840 -0.017 0.000 0.745 300 L CB -0.323 41.728 42.059 -0.012 0.000 0.894 300 L HN 0.308 nan 8.230 nan 0.000 0.432 301 R N -0.245 120.242 120.500 -0.022 0.000 2.096 301 R HA -0.223 4.117 4.340 0.001 0.000 0.240 301 R C 2.160 178.446 176.300 -0.024 0.000 1.139 301 R CA 1.822 57.907 56.100 -0.024 0.000 0.952 301 R CB -0.365 29.924 30.300 -0.019 0.000 0.854 301 R HN 0.407 nan 8.270 nan 0.000 0.436 302 I N -0.606 119.952 120.570 -0.019 0.000 2.202 302 I HA -0.155 4.015 4.170 0.001 0.000 0.242 302 I C 2.563 178.670 176.117 -0.017 0.000 1.091 302 I CA 1.349 62.639 61.300 -0.016 0.000 1.368 302 I CB -0.700 37.292 38.000 -0.012 0.000 1.058 302 I HN 0.331 nan 8.210 nan 0.000 0.410 303 G N 1.239 110.029 108.800 -0.017 0.000 2.446 303 G HA2 -0.217 3.744 3.960 0.001 0.000 0.217 303 G HA3 -0.217 3.744 3.960 0.001 0.000 0.217 303 G C 1.704 176.588 174.900 -0.027 0.000 1.168 303 G CA 0.678 45.769 45.100 -0.016 0.000 0.771 303 G HN 0.268 nan 8.290 nan 0.000 0.551 304 L N 0.362 121.561 121.223 -0.040 0.000 2.109 304 L HA -0.007 4.334 4.340 0.001 0.000 0.207 304 L C 3.165 179.994 176.870 -0.069 0.000 1.086 304 L CA 0.854 55.652 54.840 -0.070 0.000 0.760 304 L CB -0.361 41.645 42.059 -0.090 0.000 0.910 304 L HN 0.165 nan 8.230 nan 0.000 0.437 305 S N 0.171 115.843 115.700 -0.047 0.000 2.370 305 S HA -0.251 4.220 4.470 0.001 0.000 0.226 305 S C 1.874 176.459 174.600 -0.026 0.000 1.033 305 S CA 1.744 59.923 58.200 -0.035 0.000 1.011 305 S CB -0.237 62.949 63.200 -0.023 0.000 0.852 305 S HN 0.576 nan 8.310 nan 0.000 0.457 306 Q N 0.281 120.069 119.800 -0.021 0.000 2.364 306 Q HA 0.059 4.399 4.340 0.001 0.000 0.207 306 Q C 1.329 177.323 176.000 -0.010 0.000 0.970 306 Q CA 0.716 56.512 55.803 -0.011 0.000 0.888 306 Q CB -0.309 28.424 28.738 -0.008 0.000 0.951 306 Q HN 0.315 nan 8.270 nan 0.000 0.469 307 L N 0.297 121.508 121.223 -0.020 0.000 2.478 307 L HA 0.162 4.503 4.340 0.001 0.000 0.223 307 L C 1.502 178.368 176.870 -0.007 0.000 1.140 307 L CA 1.644 56.475 54.840 -0.016 0.000 0.842 307 L CB -0.610 41.426 42.059 -0.039 0.000 0.953 307 L HN 0.548 nan 8.230 nan 0.000 0.452 308 G N -1.379 107.415 108.800 -0.011 0.000 2.175 308 G HA2 -0.260 3.701 3.960 0.001 0.000 0.244 308 G HA3 -0.260 3.701 3.960 0.001 0.000 0.244 308 G C 0.217 175.124 174.900 0.011 0.000 0.982 308 G CA -0.010 45.094 45.100 0.007 0.000 0.641 308 G HN 0.211 nan 8.290 nan 0.000 0.527 309 L N 1.961 123.160 121.223 -0.040 0.000 2.456 309 L HA 0.407 4.748 4.340 0.001 0.000 0.272 309 L C 1.281 178.134 176.870 -0.027 0.000 1.189 309 L CA 0.639 55.441 54.840 -0.064 0.000 0.846 309 L CB 0.566 42.475 42.059 -0.249 0.000 1.111 309 L HN 0.132 nan 8.230 nan 0.000 0.475 310 T N 4.473 119.034 114.554 0.011 0.000 2.834 310 T HA 0.339 4.689 4.350 0.001 0.000 0.298 310 T C 0.077 174.767 174.700 -0.017 0.000 0.966 310 T CA 0.134 62.238 62.100 0.007 0.000 1.141 310 T CB 0.089 68.975 68.868 0.029 0.000 0.905 310 T HN 0.187 nan 8.240 nan 0.000 0.535 311 I N 4.302 124.857 120.570 -0.024 0.000 2.563 311 I HA 0.279 4.450 4.170 0.001 0.000 0.276 311 I C 1.119 177.221 176.117 -0.025 0.000 1.074 311 I CA -0.376 60.905 61.300 -0.032 0.000 1.124 311 I CB 1.224 39.200 38.000 -0.040 0.000 1.225 311 I HN 0.648 nan 8.210 nan 0.000 0.482 312 R N 1.426 121.907 120.500 -0.031 0.000 2.236 312 R HA 0.018 4.359 4.340 0.001 0.000 0.208 312 R C 1.169 177.457 176.300 -0.020 0.000 1.036 312 R CA 0.235 56.318 56.100 -0.028 0.000 1.001 312 R CB 0.277 30.547 30.300 -0.050 0.000 0.896 312 R HN 0.530 nan 8.270 nan 0.000 0.464 313 S N 1.160 116.846 115.700 -0.024 0.000 2.563 313 S HA -0.077 4.394 4.470 0.001 0.000 0.284 313 S C 0.287 174.887 174.600 -0.001 0.000 1.331 313 S CA 0.257 58.449 58.200 -0.014 0.000 1.047 313 S CB 0.538 63.725 63.200 -0.021 0.000 0.859 313 S HN 0.262 nan 8.310 nan 0.000 0.514 314 E N 1.570 121.777 120.200 0.013 0.000 3.729 314 E HA 0.252 4.602 4.350 0.001 0.000 0.195 314 E C -0.660 175.963 176.600 0.039 0.000 1.005 314 E CA -0.316 56.097 56.400 0.022 0.000 1.356 314 E CB 0.719 30.435 29.700 0.026 0.000 1.138 314 E HN 0.670 nan 8.360 nan 0.000 0.450 315 S N -0.624 115.090 115.700 0.024 0.000 2.800 315 S HA 0.062 4.532 4.470 0.001 0.000 0.293 315 S C 0.546 175.138 174.600 -0.014 0.000 1.209 315 S CA -0.821 57.401 58.200 0.037 0.000 0.884 315 S CB 0.788 64.013 63.200 0.042 0.000 1.244 315 S HN 0.053 nan 8.310 nan 0.000 0.540 316 Q N 0.328 120.095 119.800 -0.055 0.000 2.482 316 Q HA 0.215 4.556 4.340 0.001 0.000 0.209 316 Q C -0.046 175.927 176.000 -0.045 0.000 0.961 316 Q CA 0.609 56.365 55.803 -0.078 0.000 0.945 316 Q CB -0.543 28.100 28.738 -0.158 0.000 1.012 316 Q HN 0.726 nan 8.270 nan 0.000 0.515 317 I N 1.923 122.458 120.570 -0.057 0.000 2.307 317 I HA 0.271 4.441 4.170 0.001 0.000 0.289 317 I C -0.794 175.308 176.117 -0.026 0.000 1.021 317 I CA -0.948 60.335 61.300 -0.029 0.000 1.224 317 I CB 0.983 38.929 38.000 -0.090 0.000 1.376 317 I HN -0.043 nan 8.210 nan 0.000 0.470 318 I N 5.884 126.453 120.570 -0.002 0.000 2.362 318 I HA 0.360 4.530 4.170 0.001 0.000 0.289 318 I C 0.722 176.834 176.117 -0.008 0.000 0.994 318 I CA -0.058 61.236 61.300 -0.010 0.000 1.158 318 I CB 1.672 39.669 38.000 -0.004 0.000 1.315 318 I HN 0.505 nan 8.210 nan 0.000 0.451 319 G N 7.362 116.145 108.800 -0.027 0.000 2.350 319 G HA2 0.520 4.481 3.960 0.001 0.000 0.306 319 G HA3 0.520 4.481 3.960 0.001 0.000 0.306 319 G C -0.266 174.638 174.900 0.007 0.000 1.094 319 G CA -0.541 44.548 45.100 -0.017 0.000 0.953 319 G HN 0.496 nan 8.290 nan 0.000 0.420 320 L N 2.803 124.054 121.223 0.045 0.000 2.385 320 L HA 0.211 4.552 4.340 0.001 0.000 0.281 320 L C 0.360 177.322 176.870 0.154 0.000 1.106 320 L CA -0.165 54.724 54.840 0.081 0.000 0.856 320 L CB 0.600 42.742 42.059 0.138 0.000 1.186 320 L HN 0.506 nan 8.230 nan 0.000 0.453 321 E N 2.307 122.607 120.200 0.165 0.000 2.152 321 E HA 0.112 4.462 4.350 0.001 0.000 0.285 321 E C 0.470 177.205 176.600 0.225 0.000 1.043 321 E CA -0.114 56.386 56.400 0.167 0.000 0.839 321 E CB 0.942 30.718 29.700 0.127 0.000 1.069 321 E HN 0.627 nan 8.360 nan 0.000 0.399 322 T N 0.073 114.705 114.554 0.129 0.000 3.132 322 T HA 0.334 4.685 4.350 0.001 0.000 0.274 322 T C 1.080 175.737 174.700 -0.071 0.000 1.011 322 T CA 0.024 62.113 62.100 -0.018 0.000 0.899 322 T CB 0.445 69.254 68.868 -0.099 0.000 1.089 322 T HN 0.630 nan 8.240 nan 0.000 0.543 323 G N 3.049 111.907 108.800 0.097 0.000 2.591 323 G HA2 -0.320 3.640 3.960 0.001 0.000 0.298 323 G HA3 -0.320 3.640 3.960 0.001 0.000 0.298 323 G C -0.252 174.692 174.900 0.074 0.000 1.195 323 G CA 0.452 45.650 45.100 0.164 0.000 0.989 323 G HN 1.015 nan 8.290 nan 0.000 0.551 324 D N 0.668 121.117 120.400 0.082 0.000 2.354 324 D HA 0.462 5.102 4.640 0.001 0.000 0.247 324 D C 1.312 177.586 176.300 -0.044 0.000 1.138 324 D CA 0.318 54.334 54.000 0.027 0.000 0.958 324 D CB 0.485 41.316 40.800 0.052 0.000 1.144 324 D HN 0.620 nan 8.370 nan 0.000 0.458 325 E N -0.036 120.130 120.200 -0.057 0.000 2.085 325 E HA -0.238 4.112 4.350 0.001 0.000 0.194 325 E C 1.976 178.514 176.600 -0.103 0.000 0.994 325 E CA 1.213 57.558 56.400 -0.091 0.000 0.801 325 E CB -0.066 29.559 29.700 -0.125 0.000 0.743 325 E HN 0.472 nan 8.360 nan 0.000 0.453 326 R N 0.722 121.170 120.500 -0.086 0.000 2.073 326 R HA -0.144 4.196 4.340 0.001 0.000 0.234 326 R C 2.245 178.481 176.300 -0.107 0.000 1.134 326 R CA 1.641 57.693 56.100 -0.080 0.000 0.952 326 R CB -0.582 29.690 30.300 -0.047 0.000 0.850 326 R HN 0.122 nan 8.270 nan 0.000 0.433 327 N N 0.197 118.816 118.700 -0.135 0.000 2.166 327 N HA -0.139 4.601 4.740 0.001 0.000 0.186 327 N C 1.408 176.719 175.510 -0.332 0.000 1.019 327 N CA 1.869 54.761 53.050 -0.264 0.000 0.856 327 N CB -0.048 38.136 38.487 -0.505 0.000 0.993 327 N HN 0.085 nan 8.380 nan 0.000 0.426 328 T N -0.114 114.288 114.554 -0.254 0.000 2.788 328 T HA -0.153 4.197 4.350 0.001 0.000 0.268 328 T C 1.529 176.101 174.700 -0.214 0.000 1.044 328 T CA 1.220 63.185 62.100 -0.225 0.000 1.139 328 T CB -0.323 68.472 68.868 -0.123 0.000 0.867 328 T HN 0.408 nan 8.240 nan 0.000 0.454 329 E N 1.087 121.185 120.200 -0.169 0.000 2.051 329 E HA -0.179 4.172 4.350 0.001 0.000 0.192 329 E C 2.107 178.607 176.600 -0.166 0.000 0.991 329 E CA 1.102 57.420 56.400 -0.137 0.000 0.799 329 E CB 0.024 29.665 29.700 -0.100 0.000 0.748 329 E HN 0.415 nan 8.360 nan 0.000 0.449 330 K N 0.077 120.359 120.400 -0.196 0.000 2.057 330 K HA -0.114 4.207 4.320 0.001 0.000 0.207 330 K C 2.220 178.509 176.600 -0.519 0.000 1.049 330 K CA 1.369 57.535 56.287 -0.201 0.000 0.931 330 K CB -0.074 32.387 32.500 -0.065 0.000 0.714 330 K HN 0.056 nan 8.250 nan 0.000 0.440 331 V N 2.067 121.476 119.914 -0.841 0.000 2.287 331 V HA -0.294 3.826 4.120 0.001 0.000 0.248 331 V C 2.471 178.299 176.094 -0.444 0.000 1.053 331 V CA 2.297 63.952 62.300 -1.076 0.000 1.027 331 V CB -0.633 30.693 31.823 -0.828 0.000 0.646 331 V HN 0.411 nan 8.190 nan 0.000 0.447 332 R N 0.213 120.545 120.500 -0.280 0.000 2.119 332 R HA -0.083 4.257 4.340 0.001 0.000 0.222 332 R C 1.754 177.955 176.300 -0.165 0.000 1.088 332 R CA 1.719 57.716 56.100 -0.171 0.000 0.984 332 R CB -0.616 29.613 30.300 -0.118 0.000 0.884 332 R HN 0.361 nan 8.270 nan 0.000 0.447 333 D N 0.195 120.515 120.400 -0.134 0.000 2.117 333 D HA -0.192 4.448 4.640 0.001 0.000 0.197 333 D C 1.534 177.795 176.300 -0.064 0.000 0.987 333 D CA 1.238 55.186 54.000 -0.088 0.000 0.829 333 D CB -0.373 40.406 40.800 -0.036 0.000 0.961 333 D HN 0.275 nan 8.370 nan 0.000 0.460 334 Y N 1.022 121.238 120.300 -0.140 0.000 2.070 334 Y HA -0.237 4.313 4.550 0.001 0.000 0.280 334 Y C 2.059 177.910 175.900 -0.081 0.000 1.148 334 Y CA 1.259 59.332 58.100 -0.044 0.000 1.125 334 Y CB -0.319 38.174 38.460 0.054 0.000 0.975 334 Y HN -0.119 nan 8.280 nan 0.000 0.492 335 L N 0.785 122.010 121.223 0.003 0.000 2.012 335 L HA -0.233 4.107 4.340 0.001 0.000 0.210 335 L C 2.317 178.991 176.870 -0.326 0.000 1.073 335 L CA 1.919 56.702 54.840 -0.095 0.000 0.748 335 L CB -1.409 40.613 42.059 -0.061 0.000 0.891 335 L HN 0.352 nan 8.230 nan 0.000 0.431 336 E N -1.438 118.476 120.200 -0.477 0.000 2.106 336 E HA -0.185 4.165 4.350 0.001 0.000 0.192 336 E C 2.315 178.695 176.600 -0.367 0.000 0.984 336 E CA 1.200 57.116 56.400 -0.806 0.000 0.806 336 E CB -0.160 29.076 29.700 -0.772 0.000 0.750 336 E HN 0.305 nan 8.360 nan 0.000 0.458 337 S N 0.512 116.052 115.700 -0.267 0.000 2.442 337 S HA -0.064 4.406 4.470 0.001 0.000 0.236 337 S C 1.222 175.699 174.600 -0.204 0.000 1.007 337 S CA 0.767 58.850 58.200 -0.194 0.000 0.965 337 S CB -0.008 63.061 63.200 -0.218 0.000 0.773 337 S HN 0.205 nan 8.310 nan 0.000 0.504 338 N N 0.098 118.638 118.700 -0.266 0.000 2.275 338 N HA 0.214 4.955 4.740 0.001 0.000 0.236 338 N C 0.657 176.113 175.510 -0.091 0.000 1.154 338 N CA 0.638 53.562 53.050 -0.209 0.000 0.866 338 N CB 1.009 39.300 38.487 -0.326 0.000 1.093 338 N HN 0.432 nan 8.380 nan 0.000 0.515 339 G N 0.294 109.073 108.800 -0.036 0.000 2.137 339 G HA2 -0.232 3.728 3.960 0.001 0.000 0.237 339 G HA3 -0.232 3.728 3.960 0.001 0.000 0.237 339 G C -0.337 174.653 174.900 0.150 0.000 1.002 339 G CA -0.035 45.135 45.100 0.117 0.000 0.702 339 G HN 0.170 nan 8.290 nan 0.000 0.515 340 V N 0.158 120.052 119.914 -0.033 0.000 2.483 340 V HA 0.754 4.874 4.120 0.001 0.000 0.297 340 V C -0.559 175.439 176.094 -0.160 0.000 1.027 340 V CA -0.733 61.584 62.300 0.028 0.000 0.855 340 V CB 1.468 33.299 31.823 0.013 0.000 0.995 340 V HN 0.281 nan 8.190 nan 0.000 0.424 341 F N 2.313 122.288 119.950 0.041 0.000 2.553 341 F HA 0.747 5.274 4.527 0.001 0.000 0.335 341 F C 0.573 176.412 175.800 0.065 0.000 1.148 341 F CA -0.512 57.516 58.000 0.046 0.000 0.963 341 F CB 2.336 41.355 39.000 0.033 0.000 1.217 341 F HN 0.767 nan 8.300 nan 0.000 0.441 342 G N 1.932 110.859 108.800 0.213 0.000 3.238 342 G HA2 0.019 3.979 3.960 0.001 0.000 0.684 342 G HA3 0.019 3.979 3.960 0.001 0.000 0.684 342 G C -1.065 173.943 174.900 0.180 0.000 1.156 342 G CA -1.057 44.135 45.100 0.153 0.000 1.048 342 G HN 0.602 nan 8.290 nan 0.000 0.462 343 S N 0.883 116.707 115.700 0.207 0.000 2.530 343 S HA 0.575 5.046 4.470 0.001 0.000 0.322 343 S C 0.593 175.318 174.600 0.208 0.000 1.085 343 S CA -0.698 57.618 58.200 0.193 0.000 1.096 343 S CB 1.948 65.311 63.200 0.272 0.000 0.988 343 S HN 0.984 nan 8.310 nan 0.000 0.466 344 V N 4.603 124.558 119.914 0.069 0.000 2.521 344 V HA 0.205 4.326 4.120 0.001 0.000 0.286 344 V C -0.684 175.386 176.094 -0.040 0.000 1.034 344 V CA 0.352 62.697 62.300 0.074 0.000 1.045 344 V CB -0.341 31.502 31.823 0.033 0.000 0.974 344 V HN 0.702 nan 8.190 nan 0.000 0.480 345 F N 4.955 124.964 119.950 0.099 0.000 2.375 345 F HA 0.582 5.109 4.527 0.001 0.000 0.361 345 F C 0.558 176.422 175.800 0.106 0.000 1.117 345 F CA -0.503 57.566 58.000 0.115 0.000 1.037 345 F CB 1.203 40.274 39.000 0.118 0.000 1.192 345 F HN 0.684 nan 8.300 nan 0.000 0.452 346 C N 1.856 121.276 119.300 0.199 0.000 3.119 346 C HA 0.767 5.227 4.460 0.001 0.000 0.359 346 C C 0.152 175.245 174.990 0.172 0.000 1.486 346 C CA -1.568 57.545 59.018 0.159 0.000 1.556 346 C CB 1.528 29.326 27.740 0.096 0.000 2.063 346 C HN 0.918 nan 8.230 nan 0.000 0.454 347 R N 1.238 121.821 120.500 0.139 0.000 2.619 347 R HA 0.128 4.468 4.340 0.001 0.000 0.268 347 R C -1.834 174.595 176.300 0.215 0.000 0.990 347 R CA 0.304 56.493 56.100 0.149 0.000 1.092 347 R CB -0.393 29.987 30.300 0.133 0.000 0.935 347 R HN 0.716 nan 8.270 nan 0.000 0.415 348 P HA 0.094 nan 4.420 nan 0.000 0.261 348 P C 0.638 177.969 177.300 0.051 0.000 1.268 348 P CA 0.505 63.659 63.100 0.091 0.000 0.833 348 P CB 0.511 32.253 31.700 0.070 0.000 1.231 349 A N 0.563 123.455 122.820 0.120 0.000 1.969 349 A HA 0.022 4.343 4.320 0.001 0.000 0.218 349 A C 1.397 179.057 177.584 0.127 0.000 1.169 349 A CA 1.801 53.935 52.037 0.161 0.000 0.635 349 A CB -1.052 18.161 19.000 0.356 0.000 0.810 349 A HN 0.418 nan 8.150 nan 0.000 0.445 350 T N -4.474 110.161 114.554 0.135 0.000 2.858 350 T HA 0.584 4.934 4.350 0.001 0.000 0.285 350 T C 0.018 174.765 174.700 0.077 0.000 1.052 350 T CA -0.188 61.988 62.100 0.127 0.000 1.009 350 T CB 1.173 70.155 68.868 0.189 0.000 1.241 350 T HN 0.006 nan 8.240 nan 0.000 0.542 351 S N 0.472 116.227 115.700 0.091 0.000 2.584 351 S HA 0.155 4.626 4.470 0.001 0.000 0.270 351 S C 1.467 176.104 174.600 0.062 0.000 1.346 351 S CA -0.586 57.657 58.200 0.071 0.000 1.018 351 S CB 0.793 64.045 63.200 0.087 0.000 0.899 351 S HN 0.876 nan 8.310 nan 0.000 0.542 352 K N 1.647 122.070 120.400 0.038 0.000 2.113 352 K HA -0.156 4.165 4.320 0.001 0.000 0.208 352 K C 0.401 177.012 176.600 0.019 0.000 1.047 352 K CA 1.479 57.774 56.287 0.014 0.000 0.928 352 K CB -0.047 32.450 32.500 -0.005 0.000 0.716 352 K HN 0.452 nan 8.250 nan 0.000 0.446 353 N N 0.359 119.082 118.700 0.038 0.000 2.234 353 N HA 0.043 4.784 4.740 0.001 0.000 0.227 353 N C -0.739 174.818 175.510 0.078 0.000 1.151 353 N CA 0.170 53.251 53.050 0.050 0.000 0.865 353 N CB 1.144 39.657 38.487 0.044 0.000 1.066 353 N HN 0.068 nan 8.380 nan 0.000 0.515 354 K N 1.201 121.655 120.400 0.089 0.000 3.206 354 K HA 0.251 4.571 4.320 0.001 0.000 0.180 354 K C -0.359 176.318 176.600 0.128 0.000 1.088 354 K CA -0.389 55.968 56.287 0.117 0.000 0.872 354 K CB 0.552 33.134 32.500 0.137 0.000 0.976 354 K HN 0.032 nan 8.250 nan 0.000 0.564 355 N N 1.419 120.181 118.700 0.104 0.000 2.415 355 N HA 0.273 5.013 4.740 0.001 0.000 0.248 355 N C 0.059 175.647 175.510 0.131 0.000 1.271 355 N CA 0.274 53.392 53.050 0.115 0.000 0.913 355 N CB 1.119 39.645 38.487 0.065 0.000 1.129 355 N HN 0.219 nan 8.380 nan 0.000 0.444 356 I N 1.233 121.908 120.570 0.175 0.000 2.582 356 I HA 0.362 4.533 4.170 0.001 0.000 0.292 356 I C -0.232 176.012 176.117 0.212 0.000 1.066 356 I CA -0.619 60.781 61.300 0.167 0.000 1.053 356 I CB 2.043 40.122 38.000 0.132 0.000 1.241 356 I HN 0.209 nan 8.210 nan 0.000 0.421 357 I N 5.562 126.232 120.570 0.168 0.000 2.307 357 I HA 0.344 4.515 4.170 0.001 0.000 0.289 357 I C 0.220 176.441 176.117 0.174 0.000 1.021 357 I CA -0.421 60.986 61.300 0.180 0.000 1.224 357 I CB 0.898 38.972 38.000 0.122 0.000 1.376 357 I HN 0.502 nan 8.210 nan 0.000 0.470 358 R N 6.321 126.968 120.500 0.245 0.000 2.254 358 R HA 0.421 4.762 4.340 0.001 0.000 0.318 358 R C -1.297 175.104 176.300 0.168 0.000 1.031 358 R CA -0.726 55.473 56.100 0.166 0.000 0.905 358 R CB 0.766 31.143 30.300 0.128 0.000 1.050 358 R HN 0.390 nan 8.270 nan 0.000 0.456 359 L N 3.453 124.744 121.223 0.113 0.000 2.255 359 L HA 0.289 4.629 4.340 0.001 0.000 0.289 359 L C -0.326 176.620 176.870 0.127 0.000 1.046 359 L CA 0.196 55.107 54.840 0.117 0.000 0.816 359 L CB 1.532 43.640 42.059 0.082 0.000 1.197 359 L HN 0.582 nan 8.230 nan 0.000 0.427 360 S N 4.881 120.684 115.700 0.172 0.000 2.420 360 S HA 0.562 5.032 4.470 0.001 0.000 0.313 360 S C 0.113 174.849 174.600 0.226 0.000 1.079 360 S CA -0.594 57.747 58.200 0.236 0.000 1.104 360 S CB 0.450 63.819 63.200 0.280 0.000 0.969 360 S HN 0.333 nan 8.310 nan 0.000 0.471 361 L N 3.939 125.285 121.223 0.206 0.000 2.418 361 L HA 0.465 4.805 4.340 0.001 0.000 0.265 361 L C 0.320 177.342 176.870 0.253 0.000 1.143 361 L CA -0.586 54.356 54.840 0.170 0.000 0.809 361 L CB 0.390 42.501 42.059 0.086 0.000 1.124 361 L HN 0.668 nan 8.230 nan 0.000 0.456 362 N N -1.903 116.913 118.700 0.193 0.000 2.571 362 N HA 0.210 4.950 4.740 0.001 0.000 0.273 362 N C 0.182 175.794 175.510 0.170 0.000 1.340 362 N CA -0.499 52.676 53.050 0.209 0.000 0.789 362 N CB 1.283 39.873 38.487 0.171 0.000 1.514 362 N HN 0.446 nan 8.380 nan 0.000 0.499 363 S N -1.573 114.234 115.700 0.179 0.000 2.547 363 S HA -0.094 4.376 4.470 0.001 0.000 0.235 363 S C 0.367 175.108 174.600 0.235 0.000 0.980 363 S CA 0.758 59.093 58.200 0.224 0.000 0.941 363 S CB -0.396 62.908 63.200 0.174 0.000 0.763 363 S HN 0.572 nan 8.310 nan 0.000 0.532 364 D N 1.268 121.761 120.400 0.155 0.000 2.323 364 D HA 0.158 4.798 4.640 0.001 0.000 0.209 364 D C 0.215 176.601 176.300 0.143 0.000 0.973 364 D CA 0.079 54.147 54.000 0.112 0.000 0.874 364 D CB -0.027 40.818 40.800 0.074 0.000 0.930 364 D HN 0.263 nan 8.370 nan 0.000 0.521 365 V N 2.201 122.217 119.914 0.170 0.000 2.599 365 V HA -0.024 4.096 4.120 0.001 0.000 0.300 365 V C 0.838 177.054 176.094 0.205 0.000 1.034 365 V CA -0.245 62.142 62.300 0.145 0.000 1.115 365 V CB 0.559 32.442 31.823 0.101 0.000 0.934 365 V HN 0.084 nan 8.190 nan 0.000 0.485 366 N N 3.086 121.870 118.700 0.141 0.000 2.513 366 N HA 0.135 4.876 4.740 0.001 0.000 0.274 366 N C 0.757 176.326 175.510 0.098 0.000 1.189 366 N CA -0.326 52.806 53.050 0.136 0.000 0.975 366 N CB 1.317 39.855 38.487 0.084 0.000 1.157 366 N HN 0.656 nan 8.380 nan 0.000 0.465 367 D N 0.649 121.110 120.400 0.101 0.000 2.133 367 D HA -0.189 4.451 4.640 0.001 0.000 0.195 367 D C 1.477 177.804 176.300 0.044 0.000 0.997 367 D CA 1.364 55.399 54.000 0.059 0.000 0.840 367 D CB 0.241 41.078 40.800 0.061 0.000 0.947 367 D HN 0.661 nan 8.370 nan 0.000 0.452 368 E N 0.201 120.430 120.200 0.048 0.000 2.077 368 E HA -0.251 4.099 4.350 0.001 0.000 0.193 368 E C 1.966 178.590 176.600 0.040 0.000 0.989 368 E CA 0.962 57.385 56.400 0.039 0.000 0.800 368 E CB 0.063 29.784 29.700 0.036 0.000 0.746 368 E HN 0.350 nan 8.360 nan 0.000 0.452 369 Q N -0.049 119.779 119.800 0.047 0.000 2.084 369 Q HA -0.172 4.169 4.340 0.001 0.000 0.202 369 Q C 2.270 178.297 176.000 0.045 0.000 0.978 369 Q CA 1.295 57.128 55.803 0.050 0.000 0.844 369 Q CB -0.011 28.764 28.738 0.060 0.000 0.898 369 Q HN 0.365 nan 8.270 nan 0.000 0.426 370 I N 0.623 121.216 120.570 0.038 0.000 2.179 370 I HA -0.252 3.919 4.170 0.001 0.000 0.242 370 I C 2.350 178.481 176.117 0.024 0.000 1.088 370 I CA 1.462 62.777 61.300 0.026 0.000 1.357 370 I CB -1.574 36.432 38.000 0.010 0.000 1.051 370 I HN 0.155 nan 8.210 nan 0.000 0.409 371 A N 0.714 123.549 122.820 0.024 0.000 1.908 371 A HA -0.279 4.041 4.320 0.001 0.000 0.218 371 A C 2.326 179.927 177.584 0.028 0.000 1.181 371 A CA 2.224 54.275 52.037 0.023 0.000 0.627 371 A CB -0.559 18.454 19.000 0.023 0.000 0.818 371 A HN 0.324 nan 8.150 nan 0.000 0.445 372 K N 0.294 120.714 120.400 0.033 0.000 2.103 372 K HA -0.068 4.252 4.320 0.001 0.000 0.207 372 K C 1.525 178.151 176.600 0.043 0.000 1.048 372 K CA 1.690 57.999 56.287 0.037 0.000 0.930 372 K CB -0.591 31.932 32.500 0.039 0.000 0.716 372 K HN 0.532 nan 8.250 nan 0.000 0.444 373 I N 0.220 120.816 120.570 0.043 0.000 2.142 373 I HA -0.262 3.908 4.170 0.001 0.000 0.240 373 I C 2.150 178.292 176.117 0.042 0.000 1.078 373 I CA 1.304 62.632 61.300 0.046 0.000 1.343 373 I CB -0.292 37.733 38.000 0.042 0.000 1.046 373 I HN 0.087 nan 8.210 nan 0.000 0.405 374 I N 0.630 121.217 120.570 0.028 0.000 2.151 374 I HA -0.365 3.806 4.170 0.001 0.000 0.243 374 I C 2.657 178.796 176.117 0.037 0.000 1.080 374 I CA 1.826 63.138 61.300 0.020 0.000 1.339 374 I CB -0.570 37.437 38.000 0.012 0.000 1.039 374 I HN 0.355 nan 8.210 nan 0.000 0.409 375 E N 1.064 121.290 120.200 0.043 0.000 2.038 375 E HA -0.221 4.130 4.350 0.001 0.000 0.195 375 E C 2.309 178.961 176.600 0.086 0.000 1.000 375 E CA 1.984 58.416 56.400 0.054 0.000 0.803 375 E CB 0.050 29.776 29.700 0.044 0.000 0.750 375 E HN 0.285 nan 8.360 nan 0.000 0.448 376 V N 0.546 120.518 119.914 0.097 0.000 2.343 376 V HA -0.325 3.796 4.120 0.001 0.000 0.247 376 V C 2.546 178.794 176.094 0.257 0.000 1.051 376 V CA 1.724 64.119 62.300 0.159 0.000 1.036 376 V CB -0.442 31.449 31.823 0.113 0.000 0.654 376 V HN 0.559 nan 8.190 nan 0.000 0.451 377 C N -0.889 118.514 119.300 0.172 0.000 2.440 377 C HA -0.109 4.351 4.460 0.001 0.000 0.278 377 C C 3.237 178.309 174.990 0.137 0.000 1.295 377 C CA 1.239 60.353 59.018 0.160 0.000 1.738 377 C CB -0.894 26.853 27.740 0.011 0.000 1.987 377 C HN 0.650 nan 8.230 nan 0.000 0.492 378 S N 1.186 116.943 115.700 0.095 0.000 2.359 378 S HA -0.218 4.252 4.470 0.001 0.000 0.223 378 S C 1.511 176.174 174.600 0.104 0.000 1.039 378 S CA 2.205 60.453 58.200 0.079 0.000 1.042 378 S CB -0.459 62.776 63.200 0.059 0.000 0.915 378 S HN 0.570 nan 8.310 nan 0.000 0.439 379 D N 1.246 121.731 120.400 0.142 0.000 2.178 379 D HA -0.016 4.624 4.640 0.001 0.000 0.201 379 D C 2.176 178.553 176.300 0.129 0.000 0.980 379 D CA 1.225 55.324 54.000 0.163 0.000 0.842 379 D CB -0.634 40.298 40.800 0.221 0.000 0.948 379 D HN 0.515 nan 8.370 nan 0.000 0.472 380 A N 0.550 123.453 122.820 0.139 0.000 1.873 380 A HA -0.070 4.250 4.320 0.001 0.000 0.215 380 A C 1.483 179.064 177.584 -0.006 0.000 1.186 380 A CA 0.691 52.660 52.037 -0.114 0.000 0.616 380 A CB -0.177 18.975 19.000 0.253 0.000 0.823 380 A HN 0.126 nan 8.150 nan 0.000 0.442 381 V N 1.307 121.322 119.914 0.169 0.000 2.221 381 V HA 0.526 4.646 4.120 0.001 0.000 0.258 381 V C 0.134 176.260 176.094 0.053 0.000 1.179 381 V CA 0.420 62.802 62.300 0.138 0.000 1.022 381 V CB -1.055 30.875 31.823 0.178 0.000 1.228 381 V HN 0.654 nan 8.190 nan 0.000 0.487 382 N N 1.019 119.719 118.700 0.000 0.000 2.406 382 N HA 0.404 5.144 4.740 0.001 0.000 0.283 382 N C -0.342 175.121 175.510 -0.078 0.000 1.074 382 N CA -0.626 52.364 53.050 -0.100 0.000 0.916 382 N CB 1.180 39.582 38.487 -0.142 0.000 1.639 382 N HN 0.347 nan 8.380 nan 0.000 0.485 383 Y N 1.925 122.031 120.300 -0.323 0.000 2.553 383 Y HA 0.399 4.950 4.550 0.001 0.000 0.303 383 Y C 1.430 177.158 175.900 -0.287 0.000 1.194 383 Y CA 0.774 58.731 58.100 -0.238 0.000 1.305 383 Y CB -0.663 37.666 38.460 -0.218 0.000 1.045 383 Y HN 1.422 nan 8.280 nan 0.000 0.514 384 G N 0.712 109.259 108.800 -0.422 0.000 2.539 384 G HA2 -0.359 3.601 3.960 0.001 0.000 0.256 384 G HA3 -0.359 3.601 3.960 0.001 0.000 0.256 384 G C 0.282 174.745 174.900 -0.728 0.000 1.233 384 G CA 0.070 44.881 45.100 -0.481 0.000 0.936 384 G HN 0.327 nan 8.290 nan 0.000 0.571 385 D N -2.949 117.143 120.400 -0.514 0.000 2.332 385 D HA -0.158 4.483 4.640 0.001 0.000 0.166 385 D C 0.593 176.799 176.300 -0.157 0.000 1.574 385 D CA 3.595 57.388 54.000 -0.345 0.000 1.598 385 D CB -1.154 39.484 40.800 -0.271 0.000 1.354 385 D HN 1.663 nan 8.370 nan 0.000 0.481 386 F N -2.022 117.825 119.950 -0.172 0.000 2.858 386 F HA 0.593 5.120 4.527 0.001 0.000 0.319 386 F C -1.049 174.619 175.800 -0.220 0.000 1.166 386 F CA -1.703 56.159 58.000 -0.230 0.000 0.899 386 F CB 0.544 39.326 39.000 -0.363 0.000 1.332 386 F HN -0.077 nan 8.300 nan 0.000 0.461 387 Y N -0.390 119.927 120.300 0.028 0.000 2.630 387 Y HA 0.888 5.439 4.550 0.001 0.000 0.337 387 Y C -1.845 173.937 175.900 -0.197 0.000 1.051 387 Y CA -2.340 55.724 58.100 -0.060 0.000 1.121 387 Y CB 1.340 39.788 38.460 -0.019 0.000 1.299 387 Y HN 0.519 nan 8.280 nan 0.000 0.498 388 F N 0.659 120.787 119.950 0.298 0.000 2.538 388 F HA 0.701 5.228 4.527 0.001 0.000 0.325 388 F C 0.344 176.312 175.800 0.280 0.000 1.066 388 F CA -1.038 57.088 58.000 0.209 0.000 0.946 388 F CB 2.045 41.124 39.000 0.131 0.000 1.199 388 F HN 0.423 nan 8.300 nan 0.000 0.473 389 R N 0.000 120.755 120.500 0.426 0.000 2.786 389 R HA 0.000 4.340 4.340 0.001 0.000 0.208 389 R CA 0.000 56.263 56.100 0.272 0.000 0.921 389 R CB 0.000 30.438 30.300 0.230 0.000 0.687 389 R HN 0.000 nan 8.270 nan 0.000 0.535