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 2vkh_1_B DATA FIRST_RESID 3 DATA SEQUENCE LVNKAQLQKM AYVKFRIQED EYVAILNALE EYHNMSESSV VEKYLKLKDI DATA SEQUENCE NNLTDNYLNT YKKSGRNKAL KKFKEYLTME VLELKNNSLT PVEKNLHFIW DATA SEQUENCE IGGQINDTAI NYINQWKDVN SDYTVKVFYD SNAFLINTLK KTIVESATNN DATA SEQUENCE TLESFRENLN DPEFDYNKFY RKRMEIIYDK QKHFIDYYKS QIEENPEFII DATA SEQUENCE DNIIKTYLSN EYSKDLEALN KYIEESLNKI TANNGNDIRN LEKFADEDLV DATA SEQUENCE RLYNQELVER WNLAAASDIL RISMLKEDGG VYLDVDMLPG IQPDLFKSIN DATA SEQUENCE KPDSITNTSW EMIKLEAIMK YKEYIPGYTS KNFDMLDEEV QRSFESALSS DATA SEQUENCE KSDKSEIFLP LDDIKVSPLE VKIAFANNSV INQALISLKD SYCSDLVINQ DATA SEQUENCE IKNRYKILND NLNPSINEGT DFNTTMKIFS DKLASISNED NMMFMIKITN DATA SEQUENCE YLKVGFAPDV RSTINLSGPG VYTGAYQDLL MFKDNSTNIH LLEPELRNFE DATA SEQUENCE FPKTKISQLT EQEITSLXXX XXARAKSQFE EYKKGYFE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.973 176.870 0.172 0.000 1.165 3 L CA 0.000 54.945 54.840 0.175 0.000 0.813 3 L CB 0.000 42.182 42.059 0.205 0.000 0.961 4 V N 2.129 122.232 119.914 0.315 0.000 2.852 4 V HA 0.482 4.603 4.120 0.001 0.000 0.300 4 V C -1.382 174.795 176.094 0.139 0.000 1.205 4 V CA -0.160 62.254 62.300 0.189 0.000 0.940 4 V CB 1.972 33.955 31.823 0.266 0.000 1.047 4 V HN 0.957 nan 8.190 nan 0.000 0.429 5 N N 4.442 123.045 118.700 -0.163 0.000 2.381 5 N HA 0.226 4.967 4.740 0.001 0.000 0.254 5 N C 0.943 176.353 175.510 -0.167 0.000 1.264 5 N CA -0.066 52.720 53.050 -0.440 0.000 0.942 5 N CB 0.355 38.586 38.487 -0.428 0.000 1.190 5 N HN 0.750 nan 8.380 nan 0.000 0.495 6 K N -1.111 119.203 120.400 -0.143 0.000 2.103 6 K HA -0.164 4.157 4.320 0.001 0.000 0.207 6 K C 1.591 178.118 176.600 -0.121 0.000 1.048 6 K CA 1.491 57.707 56.287 -0.119 0.000 0.930 6 K CB -0.515 31.927 32.500 -0.096 0.000 0.716 6 K HN 0.527 nan 8.250 nan 0.000 0.444 7 A N 1.432 124.189 122.820 -0.104 0.000 1.930 7 A HA -0.177 4.144 4.320 0.001 0.000 0.217 7 A C 2.106 179.650 177.584 -0.067 0.000 1.175 7 A CA 1.524 53.513 52.037 -0.080 0.000 0.627 7 A CB -0.502 18.453 19.000 -0.074 0.000 0.815 7 A HN 0.534 nan 8.150 nan 0.000 0.443 8 Q N -1.142 118.618 119.800 -0.066 0.000 2.167 8 Q HA -0.126 4.215 4.340 0.001 0.000 0.202 8 Q C 2.033 178.017 176.000 -0.028 0.000 0.970 8 Q CA 1.258 57.040 55.803 -0.035 0.000 0.855 8 Q CB -0.294 28.433 28.738 -0.019 0.000 0.911 8 Q HN 0.568 nan 8.270 nan 0.000 0.438 9 L N 1.121 122.296 121.223 -0.081 0.000 2.005 9 L HA -0.203 4.138 4.340 0.001 0.000 0.207 9 L C 2.098 178.929 176.870 -0.065 0.000 1.072 9 L CA 1.831 56.578 54.840 -0.154 0.000 0.744 9 L CB -0.686 41.150 42.059 -0.372 0.000 0.895 9 L HN 0.176 nan 8.230 nan 0.000 0.433 10 Q N -0.506 119.270 119.800 -0.040 0.000 2.197 10 Q HA -0.261 4.080 4.340 0.001 0.000 0.211 10 Q C 1.975 178.048 176.000 0.122 0.000 0.993 10 Q CA 1.661 57.511 55.803 0.079 0.000 0.883 10 Q CB -0.309 28.450 28.738 0.035 0.000 0.916 10 Q HN 0.456 nan 8.270 nan 0.000 0.418 11 K N 0.229 120.652 120.400 0.039 0.000 2.186 11 K HA 0.059 4.380 4.320 0.001 0.000 0.202 11 K C 1.960 178.597 176.600 0.061 0.000 1.052 11 K CA 0.645 56.947 56.287 0.024 0.000 0.965 11 K CB -0.111 32.364 32.500 -0.042 0.000 0.746 11 K HN 0.275 nan 8.250 nan 0.000 0.457 12 M N 0.164 119.791 119.600 0.045 0.000 2.067 12 M HA -0.138 4.343 4.480 0.001 0.000 0.260 12 M C 1.822 178.140 176.300 0.029 0.000 1.069 12 M CA 1.917 57.242 55.300 0.042 0.000 1.117 12 M CB -0.184 32.438 32.600 0.037 0.000 1.334 12 M HN 0.036 nan 8.290 nan 0.000 0.407 13 A N -1.526 121.307 122.820 0.022 0.000 2.379 13 A HA 0.049 4.370 4.320 0.001 0.000 0.236 13 A C 0.069 177.614 177.584 -0.065 0.000 1.272 13 A CA -0.432 51.571 52.037 -0.057 0.000 0.886 13 A CB -0.584 18.352 19.000 -0.106 0.000 0.962 13 A HN 0.447 nan 8.150 nan 0.000 0.504 14 Y N 0.709 120.962 120.300 -0.079 0.000 2.729 14 Y HA 0.253 4.804 4.550 0.001 0.000 0.331 14 Y C -0.367 175.461 175.900 -0.120 0.000 1.208 14 Y CA 0.622 58.671 58.100 -0.085 0.000 1.521 14 Y CB 0.341 38.760 38.460 -0.068 0.000 1.233 14 Y HN -0.009 nan 8.280 nan 0.000 0.539 15 V N 7.731 127.185 119.914 -0.766 0.000 2.482 15 V HA 0.176 4.296 4.120 0.001 0.000 0.295 15 V C -0.327 175.256 176.094 -0.852 0.000 1.026 15 V CA -1.630 60.294 62.300 -0.627 0.000 0.856 15 V CB 1.441 33.041 31.823 -0.371 0.000 1.001 15 V HN 0.566 nan 8.190 nan 0.000 0.424 16 K N 4.088 124.025 120.400 -0.771 0.000 2.473 16 K HA 0.001 4.322 4.320 0.001 0.000 0.277 16 K C 0.542 176.807 176.600 -0.558 0.000 1.052 16 K CA 0.755 56.565 56.287 -0.794 0.000 1.114 16 K CB -0.225 31.853 32.500 -0.704 0.000 0.869 16 K HN 0.650 nan 8.250 nan 0.000 0.481 17 F N -1.312 118.540 119.950 -0.164 0.000 2.778 17 F HA -0.325 4.203 4.527 0.001 0.000 0.399 17 F C 0.870 176.605 175.800 -0.109 0.000 0.604 17 F CA 0.994 58.941 58.000 -0.089 0.000 1.106 17 F CB -1.537 37.432 39.000 -0.051 0.000 1.643 17 F HN 0.594 nan 8.300 nan 0.000 0.290 18 R N 2.720 123.183 120.500 -0.063 0.000 2.442 18 R HA 0.437 4.778 4.340 0.001 0.000 0.291 18 R C 0.738 176.998 176.300 -0.066 0.000 1.069 18 R CA -0.105 55.943 56.100 -0.086 0.000 1.022 18 R CB 0.404 30.598 30.300 -0.177 0.000 0.976 18 R HN 0.424 nan 8.270 nan 0.000 0.443 19 I N 1.660 122.207 120.570 -0.037 0.000 2.752 19 I HA 0.007 4.178 4.170 0.001 0.000 0.287 19 I C -0.345 175.768 176.117 -0.007 0.000 1.188 19 I CA -0.097 61.198 61.300 -0.008 0.000 1.427 19 I CB 0.658 38.659 38.000 0.002 0.000 1.365 19 I HN 0.560 nan 8.210 nan 0.000 0.585 20 Q N 5.058 124.898 119.800 0.067 0.000 2.300 20 Q HA 0.145 4.485 4.340 0.001 0.000 0.262 20 Q C -0.683 175.405 176.000 0.146 0.000 1.109 20 Q CA -0.155 55.755 55.803 0.177 0.000 0.905 20 Q CB 0.365 29.207 28.738 0.173 0.000 1.280 20 Q HN 0.610 nan 8.270 nan 0.000 0.426 21 E N 1.706 122.006 120.200 0.166 0.000 2.383 21 E HA -0.035 4.316 4.350 0.001 0.000 0.264 21 E C 0.271 177.000 176.600 0.215 0.000 1.050 21 E CA -0.288 56.198 56.400 0.142 0.000 0.896 21 E CB 0.588 30.297 29.700 0.015 0.000 0.982 21 E HN 0.366 nan 8.360 nan 0.000 0.424 22 D N 2.013 122.518 120.400 0.176 0.000 2.149 22 D HA -0.199 4.441 4.640 0.001 0.000 0.194 22 D C 1.184 177.596 176.300 0.187 0.000 1.001 22 D CA 1.399 55.486 54.000 0.146 0.000 0.849 22 D CB 0.072 40.943 40.800 0.117 0.000 0.939 22 D HN 0.453 nan 8.370 nan 0.000 0.449 23 E N -0.837 119.537 120.200 0.289 0.000 2.204 23 E HA -0.138 4.213 4.350 0.001 0.000 0.194 23 E C 1.748 178.595 176.600 0.412 0.000 0.989 23 E CA 0.406 57.013 56.400 0.345 0.000 0.824 23 E CB -0.217 29.738 29.700 0.424 0.000 0.756 23 E HN 0.390 nan 8.360 nan 0.000 0.477 24 Y N -0.043 120.426 120.300 0.282 0.000 2.314 24 Y HA -0.051 4.500 4.550 0.001 0.000 0.294 24 Y C 1.909 177.818 175.900 0.016 0.000 1.119 24 Y CA 0.613 58.767 58.100 0.090 0.000 1.179 24 Y CB -0.218 38.263 38.460 0.036 0.000 1.025 24 Y HN -0.144 nan 8.280 nan 0.000 0.541 25 V N 0.474 120.363 119.914 -0.041 0.000 2.358 25 V HA -0.283 3.838 4.120 0.001 0.000 0.246 25 V C 2.678 178.715 176.094 -0.094 0.000 1.047 25 V CA 1.716 63.937 62.300 -0.132 0.000 1.035 25 V CB -1.516 30.292 31.823 -0.025 0.000 0.658 25 V HN 0.505 nan 8.190 nan 0.000 0.452 26 A N 0.013 122.830 122.820 -0.005 0.000 1.908 26 A HA -0.208 4.113 4.320 0.001 0.000 0.218 26 A C 2.183 179.761 177.584 -0.010 0.000 1.181 26 A CA 2.019 54.063 52.037 0.011 0.000 0.627 26 A CB -0.561 18.471 19.000 0.054 0.000 0.818 26 A HN 0.509 nan 8.150 nan 0.000 0.445 27 I N -0.454 120.104 120.570 -0.021 0.000 2.163 27 I HA -0.290 3.880 4.170 0.001 0.000 0.243 27 I C 2.408 178.470 176.117 -0.092 0.000 1.085 27 I CA 1.367 62.651 61.300 -0.026 0.000 1.347 27 I CB -0.374 37.608 38.000 -0.029 0.000 1.044 27 I HN 0.310 nan 8.210 nan 0.000 0.408 28 L N 0.241 121.331 121.223 -0.222 0.000 2.056 28 L HA -0.200 4.141 4.340 0.001 0.000 0.207 28 L C 2.338 179.149 176.870 -0.097 0.000 1.078 28 L CA 1.149 55.851 54.840 -0.229 0.000 0.749 28 L CB -0.824 41.014 42.059 -0.368 0.000 0.901 28 L HN 0.287 nan 8.230 nan 0.000 0.433 29 N N 0.664 119.320 118.700 -0.073 0.000 2.043 29 N HA -0.201 4.540 4.740 0.001 0.000 0.193 29 N C 1.912 177.432 175.510 0.016 0.000 1.037 29 N CA 1.776 54.813 53.050 -0.022 0.000 0.851 29 N CB -0.588 37.889 38.487 -0.016 0.000 1.027 29 N HN 0.327 nan 8.380 nan 0.000 0.422 30 A N 1.068 123.900 122.820 0.020 0.000 1.892 30 A HA -0.142 4.179 4.320 0.001 0.000 0.218 30 A C 2.243 179.885 177.584 0.096 0.000 1.188 30 A CA 1.400 53.464 52.037 0.045 0.000 0.631 30 A CB -0.932 18.084 19.000 0.027 0.000 0.822 30 A HN 0.274 nan 8.150 nan 0.000 0.447 31 L N -0.031 121.259 121.223 0.111 0.000 2.083 31 L HA -0.154 4.187 4.340 0.001 0.000 0.209 31 L C 2.215 179.274 176.870 0.315 0.000 1.083 31 L CA 2.698 57.668 54.840 0.217 0.000 0.752 31 L CB -0.640 41.538 42.059 0.197 0.000 0.899 31 L HN 0.625 nan 8.230 nan 0.000 0.433 32 E N -0.461 119.846 120.200 0.179 0.000 2.028 32 E HA -0.246 4.105 4.350 0.001 0.000 0.191 32 E C 1.955 178.645 176.600 0.152 0.000 0.988 32 E CA 1.412 57.907 56.400 0.157 0.000 0.799 32 E CB -0.163 29.570 29.700 0.055 0.000 0.755 32 E HN 0.719 nan 8.360 nan 0.000 0.447 33 E N -0.040 120.222 120.200 0.103 0.000 2.086 33 E HA -0.310 4.040 4.350 0.001 0.000 0.200 33 E C 2.122 178.762 176.600 0.066 0.000 1.012 33 E CA 1.526 57.968 56.400 0.070 0.000 0.812 33 E CB -0.843 28.888 29.700 0.052 0.000 0.743 33 E HN 0.410 nan 8.360 nan 0.000 0.453 34 Y N 1.997 122.295 120.300 -0.003 0.000 2.096 34 Y HA -0.313 4.238 4.550 0.001 0.000 0.278 34 Y C 2.289 178.114 175.900 -0.124 0.000 1.192 34 Y CA 2.259 60.310 58.100 -0.082 0.000 1.143 34 Y CB -0.315 38.062 38.460 -0.139 0.000 0.963 34 Y HN 0.162 nan 8.280 nan 0.000 0.505 35 H N -0.734 118.313 119.070 -0.039 0.000 2.502 35 H HA 0.012 4.569 4.556 0.001 0.000 0.283 35 H C 0.795 176.052 175.328 -0.119 0.000 1.015 35 H CA 1.084 57.077 56.048 -0.091 0.000 1.298 35 H CB -0.054 29.737 29.762 0.048 0.000 1.411 35 H HN 0.402 nan 8.280 nan 0.000 0.556 36 N N 0.631 119.334 118.700 0.005 0.000 2.413 36 N HA 0.026 4.767 4.740 0.001 0.000 0.207 36 N C 0.562 176.023 175.510 -0.082 0.000 1.206 36 N CA 0.282 53.315 53.050 -0.027 0.000 0.832 36 N CB 0.134 38.621 38.487 -0.000 0.000 1.037 36 N HN 0.389 nan 8.380 nan 0.000 0.467 37 M N -0.517 118.976 119.600 -0.178 0.000 2.596 37 M HA 0.073 4.554 4.480 0.001 0.000 0.364 37 M C 1.392 177.578 176.300 -0.190 0.000 1.158 37 M CA -0.125 55.067 55.300 -0.180 0.000 0.940 37 M CB 0.479 32.944 32.600 -0.225 0.000 1.388 37 M HN 0.021 nan 8.290 nan 0.000 0.522 38 S N 0.128 115.731 115.700 -0.161 0.000 2.420 38 S HA -0.134 4.337 4.470 0.001 0.000 0.237 38 S C 1.330 175.880 174.600 -0.084 0.000 1.023 38 S CA 1.203 59.326 58.200 -0.129 0.000 0.991 38 S CB -0.167 62.987 63.200 -0.078 0.000 0.792 38 S HN 0.470 nan 8.310 nan 0.000 0.488 39 E N 1.367 121.528 120.200 -0.066 0.000 2.479 39 E HA 0.295 4.646 4.350 0.001 0.000 0.193 39 E C 0.237 176.815 176.600 -0.036 0.000 1.049 39 E CA -0.028 56.347 56.400 -0.042 0.000 0.870 39 E CB 0.215 29.897 29.700 -0.029 0.000 0.944 39 E HN 0.469 nan 8.360 nan 0.000 0.492 40 S N 1.463 117.132 115.700 -0.051 0.000 2.600 40 S HA 0.121 4.592 4.470 0.001 0.000 0.265 40 S C 0.556 175.147 174.600 -0.015 0.000 1.325 40 S CA -0.381 57.800 58.200 -0.032 0.000 1.002 40 S CB 0.924 64.100 63.200 -0.040 0.000 0.921 40 S HN 0.305 nan 8.310 nan 0.000 0.554 41 S N 0.966 116.668 115.700 0.004 0.000 2.579 41 S HA 0.100 4.571 4.470 0.001 0.000 0.275 41 S C 1.325 175.942 174.600 0.029 0.000 1.345 41 S CA -0.774 57.436 58.200 0.017 0.000 1.031 41 S CB 0.426 63.641 63.200 0.026 0.000 0.892 41 S HN 0.389 nan 8.310 nan 0.000 0.529 42 V N 3.074 123.009 119.914 0.036 0.000 2.287 42 V HA -0.167 3.954 4.120 0.001 0.000 0.248 42 V C 2.556 178.693 176.094 0.072 0.000 1.053 42 V CA 2.010 64.342 62.300 0.053 0.000 1.027 42 V CB -0.991 30.860 31.823 0.047 0.000 0.646 42 V HN 0.828 nan 8.190 nan 0.000 0.447 43 V N -0.260 119.686 119.914 0.053 0.000 2.343 43 V HA -0.217 3.904 4.120 0.001 0.000 0.247 43 V C 2.616 178.756 176.094 0.077 0.000 1.051 43 V CA 1.880 64.204 62.300 0.040 0.000 1.036 43 V CB -0.624 31.244 31.823 0.075 0.000 0.654 43 V HN 0.562 nan 8.190 nan 0.000 0.451 44 E N 0.250 120.492 120.200 0.070 0.000 2.110 44 E HA -0.215 4.136 4.350 0.001 0.000 0.193 44 E C 2.227 178.874 176.600 0.078 0.000 0.988 44 E CA 1.114 57.553 56.400 0.065 0.000 0.804 44 E CB -0.250 29.474 29.700 0.042 0.000 0.745 44 E HN 0.614 nan 8.360 nan 0.000 0.458 45 K N 0.022 120.479 120.400 0.095 0.000 2.057 45 K HA -0.183 4.138 4.320 0.001 0.000 0.207 45 K C 2.207 178.936 176.600 0.215 0.000 1.049 45 K CA 1.327 57.721 56.287 0.180 0.000 0.931 45 K CB -0.350 32.248 32.500 0.163 0.000 0.714 45 K HN 0.124 nan 8.250 nan 0.000 0.440 46 Y N 1.587 121.911 120.300 0.040 0.000 2.224 46 Y HA -0.153 4.398 4.550 0.001 0.000 0.289 46 Y C 1.757 177.647 175.900 -0.016 0.000 1.146 46 Y CA 1.231 59.327 58.100 -0.007 0.000 1.182 46 Y CB -0.071 38.284 38.460 -0.175 0.000 0.983 46 Y HN -0.057 nan 8.280 nan 0.000 0.524 47 L N -0.020 121.188 121.223 -0.026 0.000 2.093 47 L HA -0.183 4.158 4.340 0.001 0.000 0.208 47 L C 2.471 179.271 176.870 -0.117 0.000 1.085 47 L CA 1.483 56.288 54.840 -0.057 0.000 0.755 47 L CB -0.498 41.597 42.059 0.060 0.000 0.904 47 L HN 0.113 nan 8.230 nan 0.000 0.435 48 K N 0.921 121.290 120.400 -0.052 0.000 2.032 48 K HA -0.176 4.145 4.320 0.001 0.000 0.209 48 K C 1.965 178.448 176.600 -0.196 0.000 1.048 48 K CA 1.678 57.944 56.287 -0.035 0.000 0.927 48 K CB -0.523 32.060 32.500 0.138 0.000 0.712 48 K HN 0.146 nan 8.250 nan 0.000 0.441 49 L N 0.517 121.544 121.223 -0.327 0.000 2.012 49 L HA -0.218 4.123 4.340 0.001 0.000 0.210 49 L C 2.615 178.966 176.870 -0.864 0.000 1.073 49 L CA 1.832 56.305 54.840 -0.612 0.000 0.748 49 L CB -0.542 41.195 42.059 -0.536 0.000 0.891 49 L HN 0.292 nan 8.230 nan 0.000 0.431 50 K N 0.165 120.104 120.400 -0.768 0.000 2.044 50 K HA -0.239 4.081 4.320 0.001 0.000 0.210 50 K C 1.672 178.036 176.600 -0.394 0.000 1.049 50 K CA 2.081 58.012 56.287 -0.595 0.000 0.927 50 K CB -0.013 32.329 32.500 -0.263 0.000 0.713 50 K HN 0.241 nan 8.250 nan 0.000 0.443 51 D N 0.486 120.727 120.400 -0.266 0.000 2.144 51 D HA -0.113 4.528 4.640 0.001 0.000 0.200 51 D C 1.895 178.096 176.300 -0.164 0.000 0.978 51 D CA 1.057 54.964 54.000 -0.155 0.000 0.833 51 D CB -0.114 40.637 40.800 -0.081 0.000 0.961 51 D HN 0.303 nan 8.370 nan 0.000 0.470 52 I N 1.000 121.436 120.570 -0.224 0.000 2.208 52 I HA -0.260 3.910 4.170 0.001 0.000 0.245 52 I C 2.326 178.316 176.117 -0.211 0.000 1.097 52 I CA 0.869 62.067 61.300 -0.169 0.000 1.363 52 I CB -0.303 37.571 38.000 -0.209 0.000 1.051 52 I HN 0.055 nan 8.210 nan 0.000 0.413 53 N N 1.171 119.612 118.700 -0.431 0.000 2.084 53 N HA -0.197 4.544 4.740 0.001 0.000 0.190 53 N C 1.617 177.039 175.510 -0.146 0.000 1.030 53 N CA 1.452 54.275 53.050 -0.377 0.000 0.849 53 N CB -0.086 38.003 38.487 -0.664 0.000 1.012 53 N HN 0.313 nan 8.380 nan 0.000 0.423 54 N N 1.184 119.809 118.700 -0.124 0.000 2.223 54 N HA -0.079 4.662 4.740 0.001 0.000 0.185 54 N C 1.859 177.372 175.510 0.005 0.000 1.016 54 N CA 0.481 53.511 53.050 -0.034 0.000 0.863 54 N CB -0.366 38.104 38.487 -0.029 0.000 0.983 54 N HN 0.336 nan 8.380 nan 0.000 0.429 55 L N 0.192 121.416 121.223 0.002 0.000 2.141 55 L HA -0.096 4.245 4.340 0.001 0.000 0.209 55 L C 1.903 178.845 176.870 0.120 0.000 1.094 55 L CA 1.000 55.875 54.840 0.059 0.000 0.763 55 L CB -0.507 41.583 42.059 0.050 0.000 0.908 55 L HN 0.151 nan 8.230 nan 0.000 0.437 56 T N -1.698 112.919 114.554 0.104 0.000 2.896 56 T HA -0.114 4.237 4.350 0.001 0.000 0.263 56 T C 1.381 176.183 174.700 0.170 0.000 1.050 56 T CA 0.927 63.126 62.100 0.164 0.000 1.140 56 T CB -0.115 68.844 68.868 0.151 0.000 0.877 56 T HN 0.214 nan 8.240 nan 0.000 0.457 57 D N 1.060 121.522 120.400 0.103 0.000 2.144 57 D HA -0.044 4.596 4.640 0.001 0.000 0.200 57 D C 2.144 178.502 176.300 0.096 0.000 0.978 57 D CA 0.621 54.675 54.000 0.090 0.000 0.833 57 D CB -0.450 40.382 40.800 0.053 0.000 0.961 57 D HN 0.186 nan 8.370 nan 0.000 0.470 58 N N -0.233 118.526 118.700 0.098 0.000 2.043 58 N HA -0.238 4.502 4.740 0.001 0.000 0.193 58 N C 1.790 177.370 175.510 0.117 0.000 1.037 58 N CA 1.266 54.366 53.050 0.084 0.000 0.851 58 N CB -0.501 38.036 38.487 0.084 0.000 1.027 58 N HN 0.273 nan 8.380 nan 0.000 0.422 59 Y N 0.732 121.092 120.300 0.101 0.000 2.097 59 Y HA -0.120 4.430 4.550 0.001 0.000 0.282 59 Y C 2.143 178.136 175.900 0.155 0.000 1.152 59 Y CA 1.612 59.822 58.100 0.184 0.000 1.136 59 Y CB -0.343 38.255 38.460 0.230 0.000 0.975 59 Y HN 0.100 nan 8.280 nan 0.000 0.498 60 L N 0.463 121.912 121.223 0.378 0.000 2.079 60 L HA -0.297 4.044 4.340 0.001 0.000 0.210 60 L C 1.814 178.724 176.870 0.068 0.000 1.081 60 L CA 1.551 56.540 54.840 0.248 0.000 0.752 60 L CB -0.582 41.588 42.059 0.184 0.000 0.896 60 L HN 0.390 nan 8.230 nan 0.000 0.433 61 N N -1.205 117.504 118.700 0.015 0.000 2.467 61 N HA -0.051 4.690 4.740 0.001 0.000 0.184 61 N C 1.366 176.778 175.510 -0.164 0.000 1.106 61 N CA 1.022 54.041 53.050 -0.053 0.000 0.892 61 N CB 0.262 38.730 38.487 -0.032 0.000 0.969 61 N HN 0.328 nan 8.380 nan 0.000 0.454 62 T N -0.686 113.689 114.554 -0.298 0.000 3.044 62 T HA 0.105 4.456 4.350 0.001 0.000 0.250 62 T C -0.329 173.786 174.700 -0.975 0.000 1.081 62 T CA 0.417 62.139 62.100 -0.632 0.000 1.040 62 T CB 0.119 68.501 68.868 -0.810 0.000 0.962 62 T HN 0.171 nan 8.240 nan 0.000 0.506 63 Y N 0.642 120.764 120.300 -0.296 0.000 2.516 63 Y HA 0.395 4.945 4.550 0.001 0.000 0.329 63 Y C 0.880 176.696 175.900 -0.141 0.000 1.095 63 Y CA -1.324 56.608 58.100 -0.280 0.000 1.213 63 Y CB 0.312 38.455 38.460 -0.529 0.000 1.109 63 Y HN -0.114 nan 8.280 nan 0.000 0.630 64 K N 0.459 120.858 120.400 -0.002 0.000 2.283 64 K HA -0.035 4.286 4.320 0.001 0.000 0.202 64 K C 0.943 177.566 176.600 0.039 0.000 1.048 64 K CA 1.086 57.383 56.287 0.018 0.000 0.948 64 K CB 0.204 32.699 32.500 -0.009 0.000 0.742 64 K HN 0.380 nan 8.250 nan 0.000 0.458 65 K N 0.660 121.085 120.400 0.041 0.000 2.399 65 K HA 0.091 4.412 4.320 0.001 0.000 0.204 65 K C 0.244 176.866 176.600 0.036 0.000 1.023 65 K CA -0.143 56.163 56.287 0.032 0.000 1.127 65 K CB 1.043 33.555 32.500 0.019 0.000 0.856 65 K HN -0.075 nan 8.250 nan 0.000 0.514 66 S N 0.276 116.014 115.700 0.064 0.000 2.562 66 S HA 0.083 4.554 4.470 0.001 0.000 0.281 66 S C 1.393 176.007 174.600 0.022 0.000 1.333 66 S CA -0.218 58.013 58.200 0.050 0.000 1.052 66 S CB 1.016 64.294 63.200 0.129 0.000 0.884 66 S HN 0.407 nan 8.310 nan 0.000 0.506 67 G N 3.575 112.357 108.800 -0.031 0.000 2.559 67 G HA2 -0.081 3.880 3.960 0.001 0.000 0.216 67 G HA3 -0.081 3.880 3.960 0.001 0.000 0.216 67 G C 1.391 176.245 174.900 -0.076 0.000 1.126 67 G CA -0.006 45.061 45.100 -0.055 0.000 0.778 67 G HN 0.810 nan 8.290 nan 0.000 0.543 68 R N 0.032 120.477 120.500 -0.091 0.000 2.240 68 R HA 0.036 4.376 4.340 0.001 0.000 0.203 68 R C 1.837 178.083 176.300 -0.090 0.000 1.011 68 R CA 0.476 56.471 56.100 -0.175 0.000 1.007 68 R CB -0.061 29.993 30.300 -0.410 0.000 0.911 68 R HN 0.208 nan 8.270 nan 0.000 0.468 69 N N 1.438 120.149 118.700 0.017 0.000 2.166 69 N HA -0.172 4.569 4.740 0.001 0.000 0.186 69 N C 1.487 177.007 175.510 0.016 0.000 1.019 69 N CA 1.091 54.174 53.050 0.055 0.000 0.856 69 N CB -0.128 38.415 38.487 0.093 0.000 0.993 69 N HN 0.196 nan 8.380 nan 0.000 0.426 70 K N 0.741 121.140 120.400 -0.002 0.000 2.032 70 K HA -0.067 4.254 4.320 0.001 0.000 0.209 70 K C 1.767 178.354 176.600 -0.022 0.000 1.048 70 K CA 1.505 57.786 56.287 -0.010 0.000 0.927 70 K CB -0.133 32.360 32.500 -0.012 0.000 0.712 70 K HN 0.156 nan 8.250 nan 0.000 0.441 71 A N 0.789 123.590 122.820 -0.033 0.000 2.014 71 A HA -0.022 4.299 4.320 0.001 0.000 0.218 71 A C 2.021 179.591 177.584 -0.023 0.000 1.163 71 A CA 0.870 52.884 52.037 -0.039 0.000 0.652 71 A CB -0.295 18.679 19.000 -0.043 0.000 0.808 71 A HN 0.312 nan 8.150 nan 0.000 0.449 72 L N -0.998 120.217 121.223 -0.014 0.000 2.240 72 L HA -0.071 4.270 4.340 0.001 0.000 0.211 72 L C 2.302 179.226 176.870 0.090 0.000 1.106 72 L CA 1.037 55.913 54.840 0.060 0.000 0.793 72 L CB -0.232 41.835 42.059 0.012 0.000 0.927 72 L HN 0.302 nan 8.230 nan 0.000 0.446 73 K N -0.123 120.294 120.400 0.029 0.000 2.228 73 K HA -0.141 4.180 4.320 0.001 0.000 0.202 73 K C 2.004 178.570 176.600 -0.056 0.000 1.051 73 K CA 0.578 56.867 56.287 0.003 0.000 0.960 73 K CB 0.075 32.577 32.500 0.003 0.000 0.743 73 K HN -0.043 nan 8.250 nan 0.000 0.458 74 K N 1.231 121.570 120.400 -0.102 0.000 2.002 74 K HA -0.147 4.174 4.320 0.001 0.000 0.209 74 K C 1.757 178.062 176.600 -0.493 0.000 1.048 74 K CA 1.211 57.327 56.287 -0.285 0.000 0.930 74 K CB -0.478 31.850 32.500 -0.287 0.000 0.714 74 K HN 0.016 nan 8.250 nan 0.000 0.438 75 F N 1.834 121.515 119.950 -0.449 0.000 2.091 75 F HA -0.226 4.302 4.527 0.001 0.000 0.299 75 F C 1.561 177.288 175.800 -0.123 0.000 1.103 75 F CA 1.886 59.717 58.000 -0.281 0.000 1.228 75 F CB -0.318 38.623 39.000 -0.099 0.000 0.984 75 F HN 0.003 nan 8.300 nan 0.000 0.477 76 K N 0.074 120.357 120.400 -0.195 0.000 2.113 76 K HA -0.238 4.083 4.320 0.001 0.000 0.208 76 K C 1.971 178.509 176.600 -0.103 0.000 1.047 76 K CA 2.054 58.215 56.287 -0.211 0.000 0.928 76 K CB -0.357 32.107 32.500 -0.060 0.000 0.716 76 K HN 0.469 nan 8.250 nan 0.000 0.446 77 E N -0.360 119.785 120.200 -0.092 0.000 2.106 77 E HA -0.170 4.181 4.350 0.001 0.000 0.192 77 E C 1.844 178.518 176.600 0.123 0.000 0.984 77 E CA 0.950 57.352 56.400 0.003 0.000 0.806 77 E CB -0.060 29.628 29.700 -0.021 0.000 0.750 77 E HN 0.331 nan 8.360 nan 0.000 0.458 78 Y N 0.822 121.114 120.300 -0.013 0.000 2.242 78 Y HA -0.123 4.428 4.550 0.001 0.000 0.291 78 Y C 2.184 178.039 175.900 -0.075 0.000 1.137 78 Y CA 0.491 58.588 58.100 -0.006 0.000 1.181 78 Y CB -0.772 37.734 38.460 0.076 0.000 0.989 78 Y HN 0.026 nan 8.280 nan 0.000 0.527 79 L N -0.969 120.207 121.223 -0.078 0.000 2.042 79 L HA -0.257 4.084 4.340 0.001 0.000 0.210 79 L C 2.254 179.265 176.870 0.235 0.000 1.076 79 L CA 1.919 56.705 54.840 -0.090 0.000 0.749 79 L CB -1.092 40.752 42.059 -0.359 0.000 0.893 79 L HN 0.156 nan 8.230 nan 0.000 0.432 80 T N -0.583 114.114 114.554 0.237 0.000 2.812 80 T HA -0.113 4.238 4.350 0.001 0.000 0.264 80 T C 1.969 176.738 174.700 0.115 0.000 1.042 80 T CA 1.142 63.335 62.100 0.154 0.000 1.140 80 T CB -0.128 68.802 68.868 0.104 0.000 0.870 80 T HN 0.190 nan 8.240 nan 0.000 0.445 81 M N 0.901 120.576 119.600 0.126 0.000 2.082 81 M HA -0.179 4.302 4.480 0.001 0.000 0.258 81 M C 2.442 178.794 176.300 0.086 0.000 1.069 81 M CA 1.787 57.148 55.300 0.101 0.000 1.102 81 M CB -0.365 32.306 32.600 0.119 0.000 1.336 81 M HN 0.151 nan 8.290 nan 0.000 0.404 82 E N 0.348 120.606 120.200 0.096 0.000 2.118 82 E HA -0.147 4.204 4.350 0.001 0.000 0.195 82 E C 1.616 178.285 176.600 0.115 0.000 0.992 82 E CA 1.508 57.959 56.400 0.084 0.000 0.804 82 E CB -0.282 29.438 29.700 0.033 0.000 0.741 82 E HN 0.329 nan 8.360 nan 0.000 0.458 83 V N 0.958 120.965 119.914 0.155 0.000 2.282 83 V HA -0.304 3.817 4.120 0.001 0.000 0.249 83 V C 2.503 178.662 176.094 0.109 0.000 1.057 83 V CA 1.982 64.392 62.300 0.184 0.000 1.032 83 V CB -0.634 31.296 31.823 0.178 0.000 0.645 83 V HN 0.354 nan 8.190 nan 0.000 0.447 84 L N -0.442 120.818 121.223 0.061 0.000 2.083 84 L HA -0.154 4.187 4.340 0.001 0.000 0.209 84 L C 2.772 179.640 176.870 -0.004 0.000 1.083 84 L CA 1.394 56.229 54.840 -0.008 0.000 0.752 84 L CB -0.663 41.377 42.059 -0.031 0.000 0.899 84 L HN 0.360 nan 8.230 nan 0.000 0.433 85 E N -0.081 120.137 120.200 0.030 0.000 2.072 85 E HA -0.141 4.210 4.350 0.001 0.000 0.190 85 E C 2.226 178.853 176.600 0.045 0.000 0.982 85 E CA 0.717 57.136 56.400 0.031 0.000 0.803 85 E CB -0.289 29.437 29.700 0.043 0.000 0.755 85 E HN 0.205 nan 8.360 nan 0.000 0.453 86 L N 1.840 123.110 121.223 0.078 0.000 1.978 86 L HA -0.242 4.099 4.340 0.001 0.000 0.218 86 L C 2.426 179.329 176.870 0.054 0.000 1.075 86 L CA 1.876 56.768 54.840 0.087 0.000 0.767 86 L CB -0.959 41.184 42.059 0.140 0.000 0.890 86 L HN 0.104 nan 8.230 nan 0.000 0.434 87 K N -0.270 120.156 120.400 0.043 0.000 2.015 87 K HA -0.251 4.069 4.320 0.001 0.000 0.216 87 K C 1.836 178.431 176.600 -0.008 0.000 1.052 87 K CA 2.371 58.666 56.287 0.014 0.000 0.937 87 K CB -0.298 32.194 32.500 -0.014 0.000 0.719 87 K HN 0.484 nan 8.250 nan 0.000 0.446 88 N N -0.021 118.664 118.700 -0.025 0.000 2.272 88 N HA -0.143 4.598 4.740 0.001 0.000 0.185 88 N C 0.806 176.310 175.510 -0.009 0.000 1.014 88 N CA 1.336 54.368 53.050 -0.029 0.000 0.870 88 N CB -0.118 38.347 38.487 -0.036 0.000 0.975 88 N HN 0.344 nan 8.380 nan 0.000 0.433 89 N N -0.803 117.900 118.700 0.006 0.000 2.280 89 N HA 0.031 4.772 4.740 0.001 0.000 0.192 89 N C 0.359 175.877 175.510 0.013 0.000 1.109 89 N CA 0.013 53.069 53.050 0.011 0.000 0.855 89 N CB 0.588 39.086 38.487 0.018 0.000 0.974 89 N HN 0.124 nan 8.380 nan 0.000 0.482 90 S N -0.313 115.396 115.700 0.015 0.000 2.602 90 S HA 0.268 4.739 4.470 0.001 0.000 0.240 90 S C 0.192 174.801 174.600 0.014 0.000 0.992 90 S CA -0.549 57.662 58.200 0.018 0.000 0.971 90 S CB -0.205 63.012 63.200 0.028 0.000 0.855 90 S HN 0.065 nan 8.310 nan 0.000 0.481 91 L N 2.265 123.492 121.223 0.007 0.000 2.499 91 L HA 0.416 4.757 4.340 0.001 0.000 0.273 91 L C 0.539 177.413 176.870 0.006 0.000 1.195 91 L CA 0.309 55.151 54.840 0.004 0.000 0.882 91 L CB 0.798 42.855 42.059 -0.004 0.000 1.133 91 L HN 0.284 nan 8.230 nan 0.000 0.483 92 T N 3.829 118.388 114.554 0.007 0.000 2.894 92 T HA 0.461 4.812 4.350 0.001 0.000 0.309 92 T C -2.801 171.903 174.700 0.006 0.000 1.208 92 T CA -1.529 60.575 62.100 0.007 0.000 1.016 92 T CB 2.141 71.013 68.868 0.008 0.000 1.192 92 T HN 0.267 nan 8.240 nan 0.000 0.491 93 P HA 0.188 nan 4.420 nan 0.000 0.268 93 P C -0.035 177.264 177.300 -0.001 0.000 1.204 93 P CA -0.141 62.963 63.100 0.007 0.000 0.768 93 P CB 0.258 31.962 31.700 0.006 0.000 0.842 94 V N 2.955 122.871 119.914 0.004 0.000 2.963 94 V HA -0.023 4.097 4.120 0.001 0.000 0.306 94 V C 1.016 177.089 176.094 -0.036 0.000 1.077 94 V CA -0.141 62.158 62.300 -0.002 0.000 1.124 94 V CB -0.653 31.180 31.823 0.017 0.000 0.987 94 V HN 0.473 nan 8.190 nan 0.000 0.487 95 E N 2.102 122.283 120.200 -0.032 0.000 2.502 95 E HA -0.008 4.343 4.350 0.001 0.000 0.261 95 E C 0.234 176.760 176.600 -0.123 0.000 0.974 95 E CA 0.443 56.810 56.400 -0.055 0.000 0.936 95 E CB 0.093 29.792 29.700 -0.002 0.000 0.926 95 E HN 0.434 nan 8.360 nan 0.000 0.459 96 K N 3.632 123.875 120.400 -0.261 0.000 2.737 96 K HA 0.130 4.450 4.320 0.001 0.000 0.251 96 K C -0.545 175.907 176.600 -0.247 0.000 1.280 96 K CA -0.172 55.719 56.287 -0.660 0.000 1.219 96 K CB -0.313 31.600 32.500 -0.978 0.000 1.587 96 K HN 0.354 nan 8.250 nan 0.000 0.279 97 N N 1.680 120.388 118.700 0.015 0.000 2.361 97 N HA 0.337 5.077 4.740 0.001 0.000 0.302 97 N C -0.647 174.975 175.510 0.186 0.000 1.074 97 N CA -0.547 52.604 53.050 0.169 0.000 0.850 97 N CB 2.037 40.681 38.487 0.261 0.000 1.228 97 N HN 0.121 nan 8.380 nan 0.000 0.491 98 L N 2.211 123.576 121.223 0.237 0.000 2.294 98 L HA 0.329 4.670 4.340 0.001 0.000 0.283 98 L C -0.222 176.717 176.870 0.115 0.000 1.015 98 L CA -0.501 54.369 54.840 0.050 0.000 0.831 98 L CB 0.742 42.848 42.059 0.079 0.000 1.217 98 L HN 0.414 nan 8.230 nan 0.000 0.420 99 H N 3.891 122.854 119.070 -0.179 0.000 2.488 99 H HA 0.430 4.987 4.556 0.001 0.000 0.322 99 H C -0.992 174.105 175.328 -0.384 0.000 1.078 99 H CA -0.671 55.389 56.048 0.020 0.000 1.260 99 H CB 1.306 31.322 29.762 0.423 0.000 1.425 99 H HN 0.317 nan 8.280 nan 0.000 0.471 100 F N 2.289 122.319 119.950 0.133 0.000 2.575 100 F HA 0.533 5.061 4.527 0.001 0.000 0.330 100 F C -0.018 175.997 175.800 0.359 0.000 1.056 100 F CA -0.891 57.166 58.000 0.095 0.000 0.964 100 F CB 1.367 40.373 39.000 0.010 0.000 1.258 100 F HN 0.269 nan 8.300 nan 0.000 0.484 101 I N 0.972 121.908 120.570 0.611 0.000 2.619 101 I HA 0.272 4.443 4.170 0.001 0.000 0.292 101 I C -1.665 174.773 176.117 0.535 0.000 1.100 101 I CA -0.519 61.107 61.300 0.543 0.000 1.043 101 I CB 2.428 40.709 38.000 0.468 0.000 1.239 101 I HN 0.536 nan 8.210 nan 0.000 0.420 102 W N 8.616 130.078 121.300 0.270 0.000 2.835 102 W HA 0.588 5.249 4.660 0.001 0.000 0.326 102 W C -1.881 174.768 176.519 0.216 0.000 1.024 102 W CA -0.557 56.915 57.345 0.211 0.000 1.267 102 W CB 1.645 31.203 29.460 0.163 0.000 1.267 102 W HN 0.389 nan 8.180 nan 0.000 0.412 103 I N 2.001 122.368 120.570 -0.338 0.000 2.892 103 I HA 0.924 5.094 4.170 0.001 0.000 0.306 103 I C 0.809 176.756 176.117 -0.285 0.000 1.078 103 I CA -0.315 60.888 61.300 -0.162 0.000 1.032 103 I CB 2.134 40.109 38.000 -0.042 0.000 1.229 103 I HN 0.603 nan 8.210 nan 0.000 0.435 104 G N 2.118 110.856 108.800 -0.102 0.000 2.195 104 G HA2 0.107 4.068 3.960 0.001 0.000 0.246 104 G HA3 0.107 4.068 3.960 0.001 0.000 0.246 104 G C 0.240 175.214 174.900 0.123 0.000 0.984 104 G CA -0.081 44.988 45.100 -0.053 0.000 0.633 104 G HN 1.769 nan 8.290 nan 0.000 0.525 105 G N -1.352 107.634 108.800 0.310 0.000 2.489 105 G HA2 0.599 4.560 3.960 0.001 0.000 0.305 105 G HA3 0.599 4.560 3.960 0.001 0.000 0.305 105 G C -1.053 174.254 174.900 0.679 0.000 1.311 105 G CA 0.282 45.722 45.100 0.566 0.000 0.813 105 G HN 0.658 nan 8.290 nan 0.000 0.480 106 Q N -0.194 119.931 119.800 0.542 0.000 2.314 106 Q HA 0.456 4.797 4.340 0.001 0.000 0.258 106 Q C 0.024 176.117 176.000 0.155 0.000 0.954 106 Q CA -0.524 55.392 55.803 0.189 0.000 0.890 106 Q CB 1.243 29.927 28.738 -0.089 0.000 1.210 106 Q HN 0.533 nan 8.270 nan 0.000 0.410 107 I N 4.807 125.308 120.570 -0.115 0.000 2.505 107 I HA 0.003 4.173 4.170 0.001 0.000 0.287 107 I C 0.104 175.965 176.117 -0.427 0.000 1.104 107 I CA 0.018 60.960 61.300 -0.597 0.000 1.387 107 I CB 0.206 37.961 38.000 -0.408 0.000 1.404 107 I HN 0.716 nan 8.210 nan 0.000 0.528 108 N N 5.387 123.773 118.700 -0.524 0.000 2.479 108 N HA -0.063 4.677 4.740 0.001 0.000 0.257 108 N C 0.412 175.765 175.510 -0.262 0.000 1.232 108 N CA 0.053 52.919 53.050 -0.306 0.000 0.920 108 N CB 1.047 39.366 38.487 -0.280 0.000 1.105 108 N HN 0.607 nan 8.380 nan 0.000 0.444 109 D N 0.922 121.228 120.400 -0.157 0.000 2.182 109 D HA -0.128 4.513 4.640 0.001 0.000 0.201 109 D C 1.447 177.697 176.300 -0.083 0.000 0.986 109 D CA 1.492 55.427 54.000 -0.109 0.000 0.847 109 D CB -0.070 40.692 40.800 -0.064 0.000 0.942 109 D HN 0.545 nan 8.370 nan 0.000 0.467 110 T N 0.154 114.653 114.554 -0.091 0.000 2.720 110 T HA -0.202 4.148 4.350 0.001 0.000 0.268 110 T C 2.076 176.726 174.700 -0.084 0.000 1.037 110 T CA 1.455 63.528 62.100 -0.044 0.000 1.144 110 T CB -0.423 68.383 68.868 -0.103 0.000 0.864 110 T HN 0.276 nan 8.240 nan 0.000 0.444 111 A N 1.423 124.102 122.820 -0.235 0.000 1.933 111 A HA -0.043 4.278 4.320 0.001 0.000 0.218 111 A C 2.189 179.681 177.584 -0.153 0.000 1.175 111 A CA 1.071 52.953 52.037 -0.257 0.000 0.628 111 A CB -0.552 18.193 19.000 -0.426 0.000 0.814 111 A HN 0.402 nan 8.150 nan 0.000 0.444 112 I N 0.603 121.088 120.570 -0.141 0.000 2.202 112 I HA -0.221 3.950 4.170 0.001 0.000 0.242 112 I C 1.909 177.997 176.117 -0.048 0.000 1.091 112 I CA 1.685 62.913 61.300 -0.120 0.000 1.368 112 I CB -2.024 35.913 38.000 -0.105 0.000 1.058 112 I HN 0.390 nan 8.210 nan 0.000 0.410 113 N N -0.082 118.639 118.700 0.035 0.000 2.188 113 N HA -0.202 4.539 4.740 0.001 0.000 0.184 113 N C 1.890 177.460 175.510 0.099 0.000 1.018 113 N CA 1.020 54.116 53.050 0.076 0.000 0.858 113 N CB -0.265 38.291 38.487 0.116 0.000 0.989 113 N HN 0.233 nan 8.380 nan 0.000 0.426 114 Y N 1.120 121.405 120.300 -0.025 0.000 2.163 114 Y HA -0.041 4.510 4.550 0.001 0.000 0.288 114 Y C 2.024 177.949 175.900 0.041 0.000 1.136 114 Y CA 0.728 58.841 58.100 0.022 0.000 1.147 114 Y CB -0.458 38.042 38.460 0.068 0.000 0.987 114 Y HN 0.034 nan 8.280 nan 0.000 0.509 115 I N 0.041 120.626 120.570 0.025 0.000 2.163 115 I HA -0.379 3.792 4.170 0.001 0.000 0.243 115 I C 1.913 178.009 176.117 -0.035 0.000 1.085 115 I CA 1.480 62.622 61.300 -0.263 0.000 1.347 115 I CB -0.477 37.134 38.000 -0.647 0.000 1.044 115 I HN 0.237 nan 8.210 nan 0.000 0.408 116 N N 0.522 119.195 118.700 -0.045 0.000 2.205 116 N HA -0.183 4.558 4.740 0.001 0.000 0.186 116 N C 1.844 177.331 175.510 -0.038 0.000 1.015 116 N CA 1.056 54.087 53.050 -0.032 0.000 0.862 116 N CB -0.303 38.159 38.487 -0.041 0.000 0.986 116 N HN 0.425 nan 8.380 nan 0.000 0.429 117 Q N -0.213 119.534 119.800 -0.089 0.000 2.050 117 Q HA -0.131 4.210 4.340 0.001 0.000 0.202 117 Q C 2.145 178.001 176.000 -0.239 0.000 0.980 117 Q CA 1.199 56.862 55.803 -0.234 0.000 0.840 117 Q CB -0.863 27.609 28.738 -0.444 0.000 0.898 117 Q HN 0.530 nan 8.270 nan 0.000 0.424 118 W N 1.880 123.099 121.300 -0.135 0.000 2.317 118 W HA -0.167 4.494 4.660 0.001 0.000 0.318 118 W C 2.532 179.035 176.519 -0.027 0.000 1.227 118 W CA 1.319 58.628 57.345 -0.060 0.000 1.269 118 W CB -0.383 29.144 29.460 0.111 0.000 1.155 118 W HN 0.163 nan 8.180 nan 0.000 0.484 119 K N 0.406 120.944 120.400 0.231 0.000 2.044 119 K HA -0.244 4.077 4.320 0.001 0.000 0.210 119 K C 1.500 178.143 176.600 0.072 0.000 1.049 119 K CA 2.187 58.555 56.287 0.136 0.000 0.927 119 K CB -0.418 32.126 32.500 0.073 0.000 0.713 119 K HN 0.059 nan 8.250 nan 0.000 0.443 120 D N 0.055 120.462 120.400 0.012 0.000 2.097 120 D HA -0.146 4.495 4.640 0.001 0.000 0.195 120 D C 1.751 178.048 176.300 -0.005 0.000 0.989 120 D CA 1.604 55.592 54.000 -0.020 0.000 0.827 120 D CB -0.191 40.558 40.800 -0.086 0.000 0.966 120 D HN 0.300 nan 8.370 nan 0.000 0.456 121 V N -1.531 118.377 119.914 -0.010 0.000 3.649 121 V HA 0.193 4.314 4.120 0.001 0.000 0.275 121 V C 0.161 176.278 176.094 0.040 0.000 1.281 121 V CA 0.214 62.514 62.300 0.001 0.000 1.143 121 V CB -0.309 31.505 31.823 -0.015 0.000 0.892 121 V HN -0.037 nan 8.190 nan 0.000 0.441 122 N N 1.464 120.210 118.700 0.078 0.000 2.818 122 N HA 0.181 4.922 4.740 0.001 0.000 0.301 122 N C 1.278 176.911 175.510 0.206 0.000 1.821 122 N CA 0.732 53.861 53.050 0.131 0.000 0.930 122 N CB 1.326 39.836 38.487 0.038 0.000 1.263 122 N HN 0.647 nan 8.380 nan 0.000 0.487 123 S N -0.200 115.589 115.700 0.149 0.000 2.474 123 S HA -0.145 4.326 4.470 0.001 0.000 0.235 123 S C 1.103 175.786 174.600 0.138 0.000 0.997 123 S CA 0.856 59.129 58.200 0.122 0.000 0.949 123 S CB -0.046 63.201 63.200 0.078 0.000 0.766 123 S HN 0.343 nan 8.310 nan 0.000 0.517 124 D N -0.878 119.636 120.400 0.189 0.000 2.350 124 D HA 0.036 4.676 4.640 0.001 0.000 0.213 124 D C -0.275 176.087 176.300 0.104 0.000 1.031 124 D CA -0.137 53.944 54.000 0.135 0.000 0.861 124 D CB -0.486 40.375 40.800 0.103 0.000 0.926 124 D HN 0.435 nan 8.370 nan 0.000 0.520 125 Y N 0.887 121.231 120.300 0.073 0.000 2.334 125 Y HA 0.360 4.911 4.550 0.001 0.000 0.328 125 Y C 0.693 176.645 175.900 0.086 0.000 1.130 125 Y CA -0.656 57.492 58.100 0.081 0.000 1.163 125 Y CB 1.711 40.229 38.460 0.098 0.000 1.207 125 Y HN -0.313 nan 8.280 nan 0.000 0.471 126 T N 3.772 118.434 114.554 0.181 0.000 2.727 126 T HA 0.320 4.671 4.350 0.001 0.000 0.298 126 T C -0.322 174.493 174.700 0.192 0.000 0.942 126 T CA -0.510 61.682 62.100 0.153 0.000 0.997 126 T CB 0.020 68.953 68.868 0.108 0.000 0.917 126 T HN 0.266 nan 8.240 nan 0.000 0.487 127 V N 5.436 125.454 119.914 0.174 0.000 2.461 127 V HA 0.321 4.442 4.120 0.001 0.000 0.275 127 V C 0.274 176.427 176.094 0.098 0.000 1.047 127 V CA -0.263 62.152 62.300 0.191 0.000 0.955 127 V CB 0.796 32.732 31.823 0.187 0.000 0.988 127 V HN 0.732 nan 8.190 nan 0.000 0.471 128 K N 3.896 124.333 120.400 0.061 0.000 2.545 128 K HA 0.582 4.903 4.320 0.001 0.000 0.252 128 K C -1.372 175.073 176.600 -0.259 0.000 0.948 128 K CA -0.578 55.566 56.287 -0.238 0.000 0.827 128 K CB 2.346 34.507 32.500 -0.564 0.000 1.128 128 K HN 0.415 nan 8.250 nan 0.000 0.429 129 V N 4.846 124.658 119.914 -0.170 0.000 2.277 129 V HA 0.300 4.421 4.120 0.001 0.000 0.269 129 V C -0.487 175.638 176.094 0.053 0.000 1.036 129 V CA -0.770 61.553 62.300 0.038 0.000 0.821 129 V CB -0.473 31.402 31.823 0.088 0.000 1.052 129 V HN 0.555 nan 8.190 nan 0.000 0.462 130 F N 5.405 125.496 119.950 0.235 0.000 2.484 130 F HA 0.501 5.029 4.527 0.001 0.000 0.360 130 F C 0.233 176.183 175.800 0.250 0.000 1.101 130 F CA -0.060 58.028 58.000 0.146 0.000 1.251 130 F CB 0.314 39.318 39.000 0.006 0.000 1.132 130 F HN 0.618 nan 8.300 nan 0.000 0.570 131 Y N -0.576 119.858 120.300 0.224 0.000 2.625 131 Y HA 0.554 5.105 4.550 0.001 0.000 0.338 131 Y C -1.751 174.164 175.900 0.025 0.000 1.123 131 Y CA -1.873 56.312 58.100 0.141 0.000 1.046 131 Y CB 1.320 39.897 38.460 0.196 0.000 1.299 131 Y HN 0.436 nan 8.280 nan 0.000 0.464 132 D N 1.390 121.695 120.400 -0.159 0.000 2.461 132 D HA 0.173 4.814 4.640 0.001 0.000 0.240 132 D C 0.618 176.628 176.300 -0.482 0.000 1.094 132 D CA 0.113 53.940 54.000 -0.287 0.000 0.868 132 D CB 1.568 42.318 40.800 -0.084 0.000 1.062 132 D HN 0.747 nan 8.370 nan 0.000 0.530 133 S N 3.158 118.643 115.700 -0.358 0.000 2.469 133 S HA -0.151 4.319 4.470 0.001 0.000 0.238 133 S C 1.056 175.610 174.600 -0.077 0.000 0.998 133 S CA 0.630 58.779 58.200 -0.086 0.000 0.957 133 S CB -0.065 63.261 63.200 0.211 0.000 0.764 133 S HN 0.336 nan 8.310 nan 0.000 0.514 134 N N 1.829 120.456 118.700 -0.122 0.000 2.336 134 N HA 0.414 5.155 4.740 0.001 0.000 0.189 134 N C -0.137 175.358 175.510 -0.025 0.000 1.113 134 N CA 0.703 53.753 53.050 -0.000 0.000 0.858 134 N CB 0.719 39.228 38.487 0.037 0.000 0.970 134 N HN 0.567 nan 8.380 nan 0.000 0.471 135 A N -0.336 122.362 122.820 -0.203 0.000 2.599 135 A HA 0.538 4.859 4.320 0.001 0.000 0.281 135 A C -0.802 176.647 177.584 -0.226 0.000 1.137 135 A CA -0.472 51.491 52.037 -0.124 0.000 0.767 135 A CB 0.016 18.958 19.000 -0.096 0.000 1.266 135 A HN 0.108 nan 8.150 nan 0.000 0.420 136 F N 0.972 120.998 119.950 0.127 0.000 2.831 136 F HA 0.270 4.797 4.527 0.001 0.000 0.334 136 F C 1.163 177.086 175.800 0.205 0.000 1.071 136 F CA 0.255 58.363 58.000 0.180 0.000 1.172 136 F CB 0.732 39.835 39.000 0.171 0.000 1.054 136 F HN 0.502 nan 8.300 nan 0.000 0.572 137 L N -0.032 121.337 121.223 0.244 0.000 2.667 137 L HA 0.117 4.458 4.340 0.001 0.000 0.232 137 L C 1.731 178.546 176.870 -0.092 0.000 1.138 137 L CA -0.124 54.771 54.840 0.091 0.000 0.921 137 L CB 0.031 42.135 42.059 0.074 0.000 1.180 137 L HN 0.064 nan 8.230 nan 0.000 0.487 138 I N 0.585 121.101 120.570 -0.090 0.000 2.208 138 I HA -0.288 3.883 4.170 0.001 0.000 0.245 138 I C 1.858 177.792 176.117 -0.305 0.000 1.097 138 I CA 1.756 62.922 61.300 -0.224 0.000 1.363 138 I CB -0.949 36.970 38.000 -0.135 0.000 1.051 138 I HN 0.426 nan 8.210 nan 0.000 0.413 139 N N -0.396 118.204 118.700 -0.167 0.000 2.331 139 N HA -0.103 4.637 4.740 0.001 0.000 0.180 139 N C 1.610 176.976 175.510 -0.239 0.000 1.019 139 N CA 1.230 54.180 53.050 -0.166 0.000 0.881 139 N CB 0.123 38.584 38.487 -0.043 0.000 0.972 139 N HN 0.335 nan 8.380 nan 0.000 0.435 140 T N 1.206 115.606 114.554 -0.256 0.000 2.770 140 T HA -0.060 4.290 4.350 0.001 0.000 0.263 140 T C 1.813 176.281 174.700 -0.386 0.000 1.039 140 T CA 0.409 62.334 62.100 -0.291 0.000 1.142 140 T CB -0.266 68.445 68.868 -0.262 0.000 0.868 140 T HN 0.064 nan 8.240 nan 0.000 0.435 141 L N 1.792 122.719 121.223 -0.493 0.000 1.990 141 L HA -0.086 4.255 4.340 0.001 0.000 0.213 141 L C 2.334 178.615 176.870 -0.982 0.000 1.072 141 L CA 1.975 56.358 54.840 -0.761 0.000 0.755 141 L CB -0.710 40.730 42.059 -1.032 0.000 0.889 141 L HN 0.142 nan 8.230 nan 0.000 0.432 142 K N -0.507 119.292 120.400 -1.002 0.000 2.002 142 K HA -0.257 4.064 4.320 0.001 0.000 0.209 142 K C 2.348 178.719 176.600 -0.383 0.000 1.048 142 K CA 1.864 57.670 56.287 -0.802 0.000 0.930 142 K CB -0.279 31.995 32.500 -0.376 0.000 0.714 142 K HN 0.252 nan 8.250 nan 0.000 0.438 143 K N -0.117 120.111 120.400 -0.287 0.000 2.074 143 K HA -0.160 4.161 4.320 0.001 0.000 0.209 143 K C 1.769 178.230 176.600 -0.233 0.000 1.048 143 K CA 2.180 58.356 56.287 -0.185 0.000 0.926 143 K CB -0.154 32.255 32.500 -0.152 0.000 0.713 143 K HN 0.257 nan 8.250 nan 0.000 0.444 144 T N 1.731 116.073 114.554 -0.353 0.000 2.643 144 T HA -0.135 4.215 4.350 0.001 0.000 0.264 144 T C 1.793 176.204 174.700 -0.481 0.000 1.045 144 T CA 1.468 63.310 62.100 -0.431 0.000 1.155 144 T CB -0.165 68.355 68.868 -0.580 0.000 0.863 144 T HN 0.130 nan 8.240 nan 0.000 0.420 145 I N 1.157 121.410 120.570 -0.529 0.000 2.264 145 I HA -0.130 4.041 4.170 0.001 0.000 0.248 145 I C 2.558 178.580 176.117 -0.158 0.000 1.111 145 I CA 1.143 62.242 61.300 -0.334 0.000 1.382 145 I CB -1.195 36.684 38.000 -0.201 0.000 1.060 145 I HN 0.130 nan 8.210 nan 0.000 0.418 146 V N 0.844 120.685 119.914 -0.122 0.000 2.270 146 V HA -0.254 3.867 4.120 0.001 0.000 0.245 146 V C 2.458 178.481 176.094 -0.118 0.000 1.043 146 V CA 1.766 64.026 62.300 -0.067 0.000 1.014 146 V CB -0.593 31.257 31.823 0.045 0.000 0.645 146 V HN 0.374 nan 8.190 nan 0.000 0.447 147 E N -0.180 119.952 120.200 -0.114 0.000 2.077 147 E HA -0.211 4.140 4.350 0.001 0.000 0.193 147 E C 2.427 178.970 176.600 -0.094 0.000 0.989 147 E CA 1.491 57.825 56.400 -0.110 0.000 0.800 147 E CB -0.296 29.360 29.700 -0.075 0.000 0.746 147 E HN 0.477 nan 8.360 nan 0.000 0.452 148 S N -0.105 115.552 115.700 -0.071 0.000 2.387 148 S HA -0.224 4.247 4.470 0.001 0.000 0.230 148 S C 1.964 176.544 174.600 -0.033 0.000 1.035 148 S CA 1.281 59.486 58.200 0.009 0.000 1.014 148 S CB -0.162 63.133 63.200 0.157 0.000 0.836 148 S HN 0.363 nan 8.310 nan 0.000 0.466 149 A N -0.021 122.743 122.820 -0.093 0.000 1.968 149 A HA 0.025 4.346 4.320 0.001 0.000 0.217 149 A C 2.325 179.771 177.584 -0.231 0.000 1.169 149 A CA 1.866 53.809 52.037 -0.157 0.000 0.638 149 A CB -1.237 17.641 19.000 -0.204 0.000 0.812 149 A HN 0.556 nan 8.150 nan 0.000 0.446 150 T N 0.992 115.404 114.554 -0.237 0.000 2.701 150 T HA -0.132 4.219 4.350 0.001 0.000 0.263 150 T C 1.876 176.494 174.700 -0.136 0.000 1.040 150 T CA 1.561 63.506 62.100 -0.258 0.000 1.147 150 T CB -0.387 68.250 68.868 -0.385 0.000 0.865 150 T HN 0.520 nan 8.240 nan 0.000 0.426 151 N N 1.851 120.503 118.700 -0.080 0.000 2.084 151 N HA -0.059 4.682 4.740 0.001 0.000 0.190 151 N C 1.774 177.282 175.510 -0.002 0.000 1.030 151 N CA 0.917 53.970 53.050 0.005 0.000 0.849 151 N CB -0.663 37.847 38.487 0.038 0.000 1.012 151 N HN 0.362 nan 8.380 nan 0.000 0.423 152 N N 0.346 119.027 118.700 -0.033 0.000 2.289 152 N HA -0.065 4.676 4.740 0.001 0.000 0.184 152 N C 1.344 176.822 175.510 -0.055 0.000 1.016 152 N CA 1.038 54.072 53.050 -0.027 0.000 0.872 152 N CB -0.136 38.332 38.487 -0.032 0.000 0.973 152 N HN 0.308 nan 8.380 nan 0.000 0.433 153 T N 1.828 116.298 114.554 -0.141 0.000 2.698 153 T HA 0.031 4.381 4.350 0.001 0.000 0.260 153 T C 2.052 176.625 174.700 -0.212 0.000 1.044 153 T CA 0.555 62.509 62.100 -0.243 0.000 1.149 153 T CB -0.256 68.314 68.868 -0.497 0.000 0.864 153 T HN 0.141 nan 8.240 nan 0.000 0.419 154 L N 1.219 122.342 121.223 -0.167 0.000 2.549 154 L HA -0.037 4.304 4.340 0.001 0.000 0.230 154 L C 2.510 179.299 176.870 -0.135 0.000 1.162 154 L CA 0.691 55.398 54.840 -0.221 0.000 0.834 154 L CB -0.483 41.349 42.059 -0.378 0.000 0.947 154 L HN 0.165 nan 8.230 nan 0.000 0.452 155 E N -0.281 119.932 120.200 0.021 0.000 2.170 155 E HA -0.061 4.290 4.350 0.001 0.000 0.191 155 E C 2.349 179.045 176.600 0.161 0.000 0.981 155 E CA 0.987 57.461 56.400 0.124 0.000 0.830 155 E CB 0.043 29.812 29.700 0.115 0.000 0.775 155 E HN 0.422 nan 8.360 nan 0.000 0.470 156 S N 0.546 116.363 115.700 0.196 0.000 2.406 156 S HA -0.016 4.455 4.470 0.001 0.000 0.228 156 S C 1.194 176.071 174.600 0.461 0.000 1.020 156 S CA 0.460 58.839 58.200 0.298 0.000 0.965 156 S CB -0.158 63.239 63.200 0.327 0.000 0.798 156 S HN 0.114 nan 8.310 nan 0.000 0.488 157 F N 2.987 123.008 119.950 0.119 0.000 2.664 157 F HA 0.287 4.815 4.527 0.001 0.000 0.301 157 F C 1.851 177.695 175.800 0.075 0.000 1.126 157 F CA -1.536 56.566 58.000 0.169 0.000 1.373 157 F CB -0.807 38.329 39.000 0.226 0.000 1.042 157 F HN 0.184 nan 8.300 nan 0.000 0.535 158 R N 0.455 121.101 120.500 0.243 0.000 2.133 158 R HA -0.201 4.140 4.340 0.001 0.000 0.245 158 R C 1.064 177.468 176.300 0.172 0.000 1.137 158 R CA 2.109 58.321 56.100 0.186 0.000 0.947 158 R CB -0.585 29.838 30.300 0.205 0.000 0.865 158 R HN 0.125 nan 8.270 nan 0.000 0.437 159 E N 0.002 120.274 120.200 0.120 0.000 2.481 159 E HA 0.056 4.407 4.350 0.001 0.000 0.198 159 E C -0.192 176.410 176.600 0.003 0.000 1.027 159 E CA 0.140 56.584 56.400 0.074 0.000 0.900 159 E CB 0.545 30.275 29.700 0.050 0.000 0.993 159 E HN 0.455 nan 8.360 nan 0.000 0.482 160 N N 0.443 119.121 118.700 -0.038 0.000 2.538 160 N HA 0.196 4.937 4.740 0.001 0.000 0.291 160 N C 1.006 176.403 175.510 -0.188 0.000 1.323 160 N CA 0.018 52.930 53.050 -0.230 0.000 0.934 160 N CB 0.461 38.634 38.487 -0.523 0.000 1.255 160 N HN 0.026 nan 8.380 nan 0.000 0.509 161 L N -0.093 121.121 121.223 -0.014 0.000 2.084 161 L HA -0.026 4.315 4.340 0.001 0.000 0.202 161 L C 1.492 178.403 176.870 0.067 0.000 1.074 161 L CA 0.918 55.812 54.840 0.091 0.000 0.757 161 L CB -0.149 41.955 42.059 0.074 0.000 0.918 161 L HN 0.281 nan 8.230 nan 0.000 0.444 162 N N -1.696 117.003 118.700 -0.002 0.000 2.422 162 N HA -0.007 4.734 4.740 0.001 0.000 0.181 162 N C -0.287 175.218 175.510 -0.007 0.000 1.080 162 N CA 0.319 53.368 53.050 -0.002 0.000 0.893 162 N CB -0.172 38.295 38.487 -0.032 0.000 0.973 162 N HN 0.213 nan 8.380 nan 0.000 0.456 163 D N -0.342 120.023 120.400 -0.058 0.000 2.419 163 D HA 0.300 4.941 4.640 0.001 0.000 0.234 163 D C -1.750 174.439 176.300 -0.185 0.000 1.014 163 D CA -1.396 52.557 54.000 -0.079 0.000 0.919 163 D CB 2.615 43.362 40.800 -0.089 0.000 1.366 163 D HN -0.049 nan 8.370 nan 0.000 0.490 164 P HA 0.138 nan 4.420 nan 0.000 0.210 164 P C 0.224 177.586 177.300 0.104 0.000 1.130 164 P CA 0.666 63.776 63.100 0.017 0.000 0.905 164 P CB 1.144 32.863 31.700 0.032 0.000 0.774 165 E N -0.953 119.372 120.200 0.208 0.000 4.120 165 E HA 0.230 4.581 4.350 0.001 0.000 0.202 165 E C -0.663 176.123 176.600 0.310 0.000 1.067 165 E CA -0.426 56.100 56.400 0.210 0.000 1.424 165 E CB -0.417 29.348 29.700 0.109 0.000 1.164 165 E HN 0.077 nan 8.360 nan 0.000 0.439 166 F N 2.344 122.299 119.950 0.009 0.000 2.778 166 F HA 0.026 4.554 4.527 0.001 0.000 0.295 166 F C 1.308 177.175 175.800 0.112 0.000 1.262 166 F CA -0.752 57.248 58.000 0.000 0.000 1.429 166 F CB -0.584 38.338 39.000 -0.130 0.000 1.072 166 F HN 0.069 nan 8.300 nan 0.000 0.514 167 D N -0.713 119.806 120.400 0.199 0.000 2.325 167 D HA -0.158 4.483 4.640 0.001 0.000 0.262 167 D C 1.767 177.953 176.300 -0.190 0.000 1.263 167 D CA -0.172 53.926 54.000 0.162 0.000 1.020 167 D CB -0.229 40.672 40.800 0.168 0.000 1.117 167 D HN 0.389 nan 8.370 nan 0.000 0.545 168 Y N -0.829 119.449 120.300 -0.036 0.000 2.384 168 Y HA -0.142 4.409 4.550 0.001 0.000 0.289 168 Y C 1.652 177.646 175.900 0.156 0.000 1.152 168 Y CA 1.446 59.576 58.100 0.050 0.000 1.258 168 Y CB -0.961 37.659 38.460 0.266 0.000 0.979 168 Y HN 0.157 nan 8.280 nan 0.000 0.549 169 N N 0.711 119.119 118.700 -0.487 0.000 2.244 169 N HA -0.113 4.627 4.740 0.001 0.000 0.183 169 N C 1.662 177.126 175.510 -0.076 0.000 1.016 169 N CA 1.618 54.465 53.050 -0.339 0.000 0.866 169 N CB -0.153 38.081 38.487 -0.421 0.000 0.980 169 N HN 0.496 nan 8.380 nan 0.000 0.430 170 K N -0.674 119.700 120.400 -0.044 0.000 2.244 170 K HA 0.099 4.420 4.320 0.001 0.000 0.200 170 K C 1.655 178.342 176.600 0.146 0.000 1.052 170 K CA 0.260 56.550 56.287 0.004 0.000 0.980 170 K CB -0.366 32.059 32.500 -0.124 0.000 0.838 170 K HN 0.050 nan 8.250 nan 0.000 0.481 171 F N 0.656 120.578 119.950 -0.047 0.000 2.046 171 F HA -0.208 4.320 4.527 0.001 0.000 0.297 171 F C 1.438 177.110 175.800 -0.214 0.000 1.123 171 F CA 1.771 59.589 58.000 -0.304 0.000 1.199 171 F CB -0.612 37.997 39.000 -0.651 0.000 0.972 171 F HN 0.043 nan 8.300 nan 0.000 0.474 172 Y N 0.593 120.785 120.300 -0.179 0.000 2.207 172 Y HA -0.230 4.321 4.550 0.001 0.000 0.287 172 Y C 2.645 178.400 175.900 -0.242 0.000 1.156 172 Y CA 1.672 59.643 58.100 -0.216 0.000 1.182 172 Y CB -0.626 37.855 38.460 0.034 0.000 0.979 172 Y HN -0.033 nan 8.280 nan 0.000 0.521 173 R N 0.492 120.992 120.500 -0.001 0.000 2.083 173 R HA -0.127 4.213 4.340 0.001 0.000 0.237 173 R C 1.983 178.202 176.300 -0.136 0.000 1.137 173 R CA 1.322 57.392 56.100 -0.050 0.000 0.951 173 R CB -0.445 29.847 30.300 -0.014 0.000 0.851 173 R HN 0.290 nan 8.270 nan 0.000 0.434 174 K N 0.102 120.410 120.400 -0.153 0.000 2.167 174 K HA -0.021 4.300 4.320 0.001 0.000 0.203 174 K C 2.073 178.485 176.600 -0.314 0.000 1.052 174 K CA 0.446 56.638 56.287 -0.158 0.000 0.956 174 K CB -0.139 32.361 32.500 0.001 0.000 0.735 174 K HN 0.128 nan 8.250 nan 0.000 0.451 175 R N 0.626 120.796 120.500 -0.549 0.000 2.075 175 R HA -0.084 4.257 4.340 0.001 0.000 0.232 175 R C 2.309 178.335 176.300 -0.457 0.000 1.126 175 R CA 1.333 57.059 56.100 -0.623 0.000 0.963 175 R CB -0.123 29.550 30.300 -1.045 0.000 0.858 175 R HN 0.011 nan 8.270 nan 0.000 0.435 176 M N 1.347 120.684 119.600 -0.438 0.000 2.117 176 M HA -0.146 4.335 4.480 0.001 0.000 0.262 176 M C 1.490 177.440 176.300 -0.584 0.000 1.065 176 M CA 1.797 56.787 55.300 -0.518 0.000 1.114 176 M CB -0.101 32.163 32.600 -0.559 0.000 1.361 176 M HN 0.121 nan 8.290 nan 0.000 0.408 177 E N -0.190 119.741 120.200 -0.448 0.000 2.097 177 E HA -0.224 4.127 4.350 0.001 0.000 0.196 177 E C 1.993 178.541 176.600 -0.086 0.000 1.000 177 E CA 1.557 57.840 56.400 -0.196 0.000 0.804 177 E CB -0.298 29.366 29.700 -0.061 0.000 0.740 177 E HN 0.517 nan 8.360 nan 0.000 0.454 178 I N 0.785 121.263 120.570 -0.154 0.000 2.193 178 I HA -0.216 3.955 4.170 0.001 0.000 0.240 178 I C 2.485 178.531 176.117 -0.118 0.000 1.084 178 I CA 0.946 62.181 61.300 -0.109 0.000 1.365 178 I CB -0.733 37.180 38.000 -0.145 0.000 1.064 178 I HN 0.138 nan 8.210 nan 0.000 0.410 179 I N 0.490 120.921 120.570 -0.232 0.000 2.068 179 I HA -0.437 3.734 4.170 0.001 0.000 0.238 179 I C 2.744 178.728 176.117 -0.222 0.000 1.046 179 I CA 2.112 63.228 61.300 -0.307 0.000 1.306 179 I CB -0.776 36.854 38.000 -0.617 0.000 1.023 179 I HN 0.149 nan 8.210 nan 0.000 0.399 180 Y N 2.003 122.110 120.300 -0.322 0.000 2.069 180 Y HA -0.409 4.142 4.550 0.001 0.000 0.278 180 Y C 2.353 178.236 175.900 -0.028 0.000 1.175 180 Y CA 2.210 60.220 58.100 -0.150 0.000 1.134 180 Y CB -0.489 37.965 38.460 -0.009 0.000 0.965 180 Y HN 0.264 nan 8.280 nan 0.000 0.498 181 D N 0.144 120.580 120.400 0.060 0.000 2.126 181 D HA -0.223 4.418 4.640 0.001 0.000 0.190 181 D C 2.052 178.360 176.300 0.013 0.000 1.001 181 D CA 2.153 56.169 54.000 0.027 0.000 0.841 181 D CB -0.288 40.556 40.800 0.074 0.000 0.949 181 D HN 0.461 nan 8.370 nan 0.000 0.446 182 K N 0.227 120.655 120.400 0.048 0.000 2.097 182 K HA -0.122 4.199 4.320 0.001 0.000 0.205 182 K C 2.232 178.981 176.600 0.248 0.000 1.050 182 K CA 0.674 57.068 56.287 0.177 0.000 0.938 182 K CB -0.081 32.529 32.500 0.183 0.000 0.718 182 K HN 0.137 nan 8.250 nan 0.000 0.442 183 Q N 1.591 121.439 119.800 0.080 0.000 2.079 183 Q HA -0.182 4.158 4.340 0.001 0.000 0.200 183 Q C 2.081 178.052 176.000 -0.047 0.000 0.974 183 Q CA 1.565 57.373 55.803 0.009 0.000 0.840 183 Q CB 0.094 28.610 28.738 -0.370 0.000 0.898 183 Q HN 0.117 nan 8.270 nan 0.000 0.430 184 K N -0.543 119.716 120.400 -0.234 0.000 2.147 184 K HA -0.242 4.079 4.320 0.001 0.000 0.205 184 K C 2.151 178.745 176.600 -0.009 0.000 1.049 184 K CA 1.439 57.592 56.287 -0.223 0.000 0.936 184 K CB -0.274 31.963 32.500 -0.439 0.000 0.722 184 K HN 0.407 nan 8.250 nan 0.000 0.446 185 H N -0.544 118.550 119.070 0.040 0.000 2.421 185 H HA -0.162 4.395 4.556 0.001 0.000 0.298 185 H C 1.805 177.263 175.328 0.216 0.000 1.087 185 H CA 1.806 57.950 56.048 0.159 0.000 1.330 185 H CB 0.028 29.929 29.762 0.233 0.000 1.388 185 H HN 0.341 nan 8.280 nan 0.000 0.526 186 F N 0.710 120.696 119.950 0.060 0.000 2.179 186 F HA -0.007 4.521 4.527 0.001 0.000 0.292 186 F C 2.308 178.082 175.800 -0.043 0.000 1.089 186 F CA 0.721 58.564 58.000 -0.261 0.000 1.295 186 F CB -0.666 38.108 39.000 -0.376 0.000 1.041 186 F HN -0.016 nan 8.300 nan 0.000 0.487 187 I N 0.923 121.355 120.570 -0.231 0.000 2.118 187 I HA -0.337 3.834 4.170 0.001 0.000 0.241 187 I C 2.080 178.086 176.117 -0.185 0.000 1.070 187 I CA 1.758 62.902 61.300 -0.259 0.000 1.327 187 I CB -0.677 37.280 38.000 -0.073 0.000 1.034 187 I HN 0.131 nan 8.210 nan 0.000 0.405 188 D N -0.088 120.234 120.400 -0.131 0.000 2.133 188 D HA -0.262 4.378 4.640 0.001 0.000 0.195 188 D C 1.872 178.101 176.300 -0.120 0.000 0.997 188 D CA 1.536 55.471 54.000 -0.107 0.000 0.840 188 D CB -0.363 40.385 40.800 -0.086 0.000 0.947 188 D HN 0.416 nan 8.370 nan 0.000 0.452 189 Y N 0.155 120.295 120.300 -0.267 0.000 2.109 189 Y HA -0.312 4.239 4.550 0.001 0.000 0.285 189 Y C 2.387 178.157 175.900 -0.217 0.000 1.131 189 Y CA 1.733 59.712 58.100 -0.202 0.000 1.121 189 Y CB -0.894 37.506 38.460 -0.101 0.000 0.987 189 Y HN 0.031 nan 8.280 nan 0.000 0.495 190 Y N 1.602 121.624 120.300 -0.465 0.000 2.132 190 Y HA -0.341 4.209 4.550 0.001 0.000 0.280 190 Y C 2.120 177.830 175.900 -0.316 0.000 1.193 190 Y CA 2.415 60.229 58.100 -0.477 0.000 1.157 190 Y CB -0.437 37.580 38.460 -0.738 0.000 0.966 190 Y HN 0.063 nan 8.280 nan 0.000 0.511 191 K N -0.232 119.894 120.400 -0.457 0.000 2.001 191 K HA -0.168 4.152 4.320 0.001 0.000 0.208 191 K C 2.552 178.936 176.600 -0.361 0.000 1.048 191 K CA 1.300 57.323 56.287 -0.440 0.000 0.932 191 K CB -0.877 31.504 32.500 -0.198 0.000 0.715 191 K HN 0.390 nan 8.250 nan 0.000 0.437 192 S N 1.139 116.661 115.700 -0.297 0.000 2.365 192 S HA -0.200 4.271 4.470 0.001 0.000 0.225 192 S C 1.992 176.433 174.600 -0.265 0.000 1.039 192 S CA 1.365 59.416 58.200 -0.248 0.000 1.033 192 S CB -0.020 63.046 63.200 -0.224 0.000 0.887 192 S HN 0.212 nan 8.310 nan 0.000 0.447 193 Q N 0.251 119.823 119.800 -0.380 0.000 2.050 193 Q HA -0.030 4.311 4.340 0.001 0.000 0.202 193 Q C 2.212 178.176 176.000 -0.060 0.000 0.980 193 Q CA 1.219 56.895 55.803 -0.213 0.000 0.840 193 Q CB -0.774 27.761 28.738 -0.339 0.000 0.898 193 Q HN 0.586 nan 8.270 nan 0.000 0.424 194 I N 1.192 121.615 120.570 -0.245 0.000 2.394 194 I HA -0.230 3.941 4.170 0.001 0.000 0.251 194 I C 2.269 178.273 176.117 -0.188 0.000 1.136 194 I CA 1.142 62.303 61.300 -0.231 0.000 1.425 194 I CB -0.205 37.509 38.000 -0.477 0.000 1.079 194 I HN 0.160 nan 8.210 nan 0.000 0.425 195 E N 0.644 120.727 120.200 -0.196 0.000 2.077 195 E HA -0.235 4.116 4.350 0.001 0.000 0.193 195 E C 2.057 178.580 176.600 -0.129 0.000 0.989 195 E CA 1.715 58.026 56.400 -0.147 0.000 0.800 195 E CB -0.129 29.489 29.700 -0.136 0.000 0.746 195 E HN 0.537 nan 8.360 nan 0.000 0.452 196 E N -0.575 119.549 120.200 -0.126 0.000 2.046 196 E HA -0.045 4.306 4.350 0.001 0.000 0.190 196 E C 0.226 176.694 176.600 -0.219 0.000 0.982 196 E CA 0.809 57.132 56.400 -0.130 0.000 0.800 196 E CB 0.154 29.806 29.700 -0.080 0.000 0.756 196 E HN 0.013 nan 8.360 nan 0.000 0.449 197 N N -0.207 118.309 118.700 -0.307 0.000 2.746 197 N HA 0.148 4.888 4.740 0.001 0.000 0.250 197 N C -2.479 172.849 175.510 -0.303 0.000 1.146 197 N CA -1.953 50.780 53.050 -0.529 0.000 0.828 197 N CB 1.259 38.876 38.487 -1.450 0.000 1.158 197 N HN -0.182 nan 8.380 nan 0.000 0.519 198 P HA -0.008 nan 4.420 nan 0.000 0.236 198 P C 0.362 177.626 177.300 -0.060 0.000 1.172 198 P CA 0.987 64.028 63.100 -0.097 0.000 0.759 198 P CB 0.493 32.141 31.700 -0.086 0.000 0.843 199 E N -1.649 118.484 120.200 -0.111 0.000 2.166 199 E HA 0.016 4.367 4.350 0.001 0.000 0.192 199 E C 0.233 176.884 176.600 0.086 0.000 0.967 199 E CA -0.201 56.175 56.400 -0.041 0.000 0.840 199 E CB -0.178 29.471 29.700 -0.085 0.000 0.795 199 E HN 0.097 nan 8.360 nan 0.000 0.470 200 F N 1.565 121.521 119.950 0.010 0.000 2.517 200 F HA -0.132 4.396 4.527 0.001 0.000 0.398 200 F C 0.782 176.619 175.800 0.063 0.000 1.005 200 F CA 0.292 58.312 58.000 0.033 0.000 1.221 200 F CB -0.215 38.792 39.000 0.012 0.000 0.936 200 F HN -0.054 nan 8.300 nan 0.000 0.557 201 I N 5.326 126.072 120.570 0.293 0.000 2.385 201 I HA 0.107 4.278 4.170 0.001 0.000 0.294 201 I C 1.407 177.639 176.117 0.191 0.000 0.988 201 I CA -0.556 60.864 61.300 0.201 0.000 1.265 201 I CB 1.265 39.363 38.000 0.164 0.000 1.388 201 I HN 0.540 nan 8.210 nan 0.000 0.480 202 I N 3.885 124.574 120.570 0.198 0.000 2.113 202 I HA -0.369 3.802 4.170 0.001 0.000 0.242 202 I C 1.671 177.898 176.117 0.184 0.000 1.057 202 I CA 1.653 63.082 61.300 0.214 0.000 1.314 202 I CB -0.281 37.812 38.000 0.154 0.000 1.022 202 I HN 0.679 nan 8.210 nan 0.000 0.408 203 D N 0.508 120.999 120.400 0.150 0.000 2.178 203 D HA -0.140 4.501 4.640 0.001 0.000 0.201 203 D C 1.906 178.287 176.300 0.136 0.000 0.980 203 D CA 0.964 55.054 54.000 0.150 0.000 0.842 203 D CB -0.419 40.493 40.800 0.186 0.000 0.948 203 D HN 0.350 nan 8.370 nan 0.000 0.472 204 N N 0.393 119.160 118.700 0.111 0.000 2.084 204 N HA -0.071 4.670 4.740 0.001 0.000 0.190 204 N C 2.054 177.590 175.510 0.044 0.000 1.030 204 N CA 0.463 53.542 53.050 0.048 0.000 0.849 204 N CB -0.284 38.191 38.487 -0.020 0.000 1.012 204 N HN 0.283 nan 8.380 nan 0.000 0.423 205 I N 0.765 121.388 120.570 0.089 0.000 2.179 205 I HA -0.211 3.960 4.170 0.001 0.000 0.242 205 I C 1.971 178.313 176.117 0.375 0.000 1.088 205 I CA 0.911 62.343 61.300 0.220 0.000 1.357 205 I CB -0.178 37.998 38.000 0.293 0.000 1.051 205 I HN 0.051 nan 8.210 nan 0.000 0.409 206 I N 1.148 121.906 120.570 0.313 0.000 2.202 206 I HA -0.308 3.863 4.170 0.001 0.000 0.242 206 I C 2.687 178.925 176.117 0.203 0.000 1.091 206 I CA 1.557 63.013 61.300 0.260 0.000 1.368 206 I CB -0.442 37.613 38.000 0.092 0.000 1.058 206 I HN 0.280 nan 8.210 nan 0.000 0.410 207 K N 0.496 120.982 120.400 0.144 0.000 2.148 207 K HA -0.109 4.211 4.320 0.001 0.000 0.204 207 K C 1.872 178.533 176.600 0.101 0.000 1.050 207 K CA 1.746 58.094 56.287 0.102 0.000 0.942 207 K CB -0.651 31.900 32.500 0.085 0.000 0.724 207 K HN 0.149 nan 8.250 nan 0.000 0.446 208 T N 0.737 115.363 114.554 0.121 0.000 2.708 208 T HA -0.196 4.155 4.350 0.001 0.000 0.266 208 T C 1.499 176.242 174.700 0.072 0.000 1.037 208 T CA 1.518 63.677 62.100 0.098 0.000 1.146 208 T CB -0.493 68.450 68.868 0.126 0.000 0.865 208 T HN 0.356 nan 8.240 nan 0.000 0.435 209 Y N 1.316 121.614 120.300 -0.004 0.000 2.128 209 Y HA -0.130 4.421 4.550 0.001 0.000 0.284 209 Y C 2.040 177.954 175.900 0.024 0.000 1.154 209 Y CA 1.079 59.126 58.100 -0.090 0.000 1.149 209 Y CB -0.317 38.172 38.460 0.049 0.000 0.976 209 Y HN 0.042 nan 8.280 nan 0.000 0.505 210 L N -0.746 120.574 121.223 0.161 0.000 2.141 210 L HA -0.153 4.188 4.340 0.001 0.000 0.209 210 L C 2.676 179.569 176.870 0.037 0.000 1.094 210 L CA 2.045 56.961 54.840 0.127 0.000 0.763 210 L CB -1.667 40.436 42.059 0.073 0.000 0.908 210 L HN 0.341 nan 8.230 nan 0.000 0.437 211 S N -0.619 115.081 115.700 -0.000 0.000 2.414 211 S HA -0.071 4.400 4.470 0.001 0.000 0.227 211 S C 1.709 176.267 174.600 -0.070 0.000 1.022 211 S CA 0.746 58.933 58.200 -0.022 0.000 0.958 211 S CB 0.079 63.277 63.200 -0.004 0.000 0.797 211 S HN 0.444 nan 8.310 nan 0.000 0.493 212 N N 1.175 119.800 118.700 -0.124 0.000 2.197 212 N HA 0.056 4.797 4.740 0.001 0.000 0.184 212 N C 1.697 177.046 175.510 -0.268 0.000 1.030 212 N CA 1.129 54.074 53.050 -0.175 0.000 0.851 212 N CB -0.323 38.047 38.487 -0.195 0.000 1.003 212 N HN 0.479 nan 8.380 nan 0.000 0.430 213 E N -0.365 119.582 120.200 -0.423 0.000 2.190 213 E HA 0.016 4.367 4.350 0.001 0.000 0.191 213 E C 0.683 176.871 176.600 -0.686 0.000 0.978 213 E CA 0.659 56.691 56.400 -0.613 0.000 0.839 213 E CB 0.042 29.176 29.700 -0.944 0.000 0.787 213 E HN 0.469 nan 8.360 nan 0.000 0.473 214 Y N -0.042 120.130 120.300 -0.213 0.000 2.500 214 Y HA 0.203 4.754 4.550 0.001 0.000 0.246 214 Y C 0.777 176.616 175.900 -0.102 0.000 1.146 214 Y CA -0.074 57.947 58.100 -0.131 0.000 1.230 214 Y CB 0.939 39.338 38.460 -0.102 0.000 1.214 214 Y HN -0.203 nan 8.280 nan 0.000 0.526 215 S N 1.047 116.733 115.700 -0.023 0.000 3.682 215 S HA -0.179 4.292 4.470 0.001 0.000 0.354 215 S C 0.076 174.675 174.600 -0.002 0.000 1.034 215 S CA 0.142 58.324 58.200 -0.029 0.000 1.084 215 S CB -1.029 62.146 63.200 -0.042 0.000 0.903 215 S HN 0.265 nan 8.310 nan 0.000 0.470 216 K N 1.118 121.525 120.400 0.012 0.000 2.107 216 K HA 0.241 4.562 4.320 0.001 0.000 0.251 216 K C 0.022 176.621 176.600 -0.002 0.000 1.012 216 K CA -0.492 55.797 56.287 0.003 0.000 0.920 216 K CB 0.383 32.883 32.500 0.001 0.000 1.033 216 K HN 0.463 nan 8.250 nan 0.000 0.478 217 D N 1.246 121.644 120.400 -0.004 0.000 2.277 217 D HA 0.086 4.727 4.640 0.001 0.000 0.249 217 D C 1.161 177.466 176.300 0.009 0.000 1.134 217 D CA -0.055 53.945 54.000 0.000 0.000 0.863 217 D CB 0.701 41.500 40.800 -0.002 0.000 1.143 217 D HN 0.315 nan 8.370 nan 0.000 0.458 218 L N 2.938 124.170 121.223 0.014 0.000 2.005 218 L HA -0.115 4.225 4.340 0.001 0.000 0.207 218 L C 2.188 179.075 176.870 0.029 0.000 1.072 218 L CA 1.042 55.897 54.840 0.025 0.000 0.744 218 L CB -0.318 41.757 42.059 0.026 0.000 0.895 218 L HN 0.630 nan 8.230 nan 0.000 0.433 219 E N -0.072 120.142 120.200 0.023 0.000 2.095 219 E HA -0.369 3.981 4.350 0.001 0.000 0.212 219 E C 2.087 178.704 176.600 0.029 0.000 1.044 219 E CA 1.881 58.294 56.400 0.023 0.000 0.857 219 E CB -0.214 29.495 29.700 0.016 0.000 0.764 219 E HN 0.547 nan 8.360 nan 0.000 0.462 220 A N 0.573 123.408 122.820 0.025 0.000 1.978 220 A HA -0.171 4.150 4.320 0.001 0.000 0.220 220 A C 2.185 179.804 177.584 0.058 0.000 1.170 220 A CA 1.191 53.247 52.037 0.032 0.000 0.636 220 A CB -0.519 18.487 19.000 0.011 0.000 0.810 220 A HN 0.162 nan 8.150 nan 0.000 0.448 221 L N -0.532 120.722 121.223 0.052 0.000 2.007 221 L HA -0.169 4.172 4.340 0.001 0.000 0.205 221 L C 2.393 179.330 176.870 0.111 0.000 1.073 221 L CA 1.211 56.099 54.840 0.079 0.000 0.744 221 L CB -0.710 41.382 42.059 0.056 0.000 0.898 221 L HN 0.352 nan 8.230 nan 0.000 0.435 222 N N 0.437 119.183 118.700 0.077 0.000 2.094 222 N HA -0.227 4.513 4.740 0.001 0.000 0.191 222 N C 1.793 177.328 175.510 0.041 0.000 1.023 222 N CA 1.435 54.522 53.050 0.062 0.000 0.857 222 N CB -0.199 38.317 38.487 0.048 0.000 1.013 222 N HN 0.323 nan 8.380 nan 0.000 0.426 223 K N -0.052 120.375 120.400 0.046 0.000 2.032 223 K HA -0.183 4.138 4.320 0.001 0.000 0.209 223 K C 2.070 178.682 176.600 0.020 0.000 1.048 223 K CA 1.173 57.475 56.287 0.026 0.000 0.927 223 K CB -0.299 32.222 32.500 0.035 0.000 0.712 223 K HN 0.181 nan 8.250 nan 0.000 0.441 224 Y N 1.472 121.741 120.300 -0.050 0.000 2.165 224 Y HA -0.222 4.329 4.550 0.001 0.000 0.286 224 Y C 1.775 177.592 175.900 -0.138 0.000 1.155 224 Y CA 1.436 59.496 58.100 -0.067 0.000 1.164 224 Y CB -0.121 38.321 38.460 -0.030 0.000 0.978 224 Y HN -0.003 nan 8.280 nan 0.000 0.513 225 I N -0.058 120.463 120.570 -0.081 0.000 2.127 225 I HA -0.301 3.869 4.170 0.001 0.000 0.241 225 I C 2.420 178.272 176.117 -0.442 0.000 1.075 225 I CA 1.931 63.065 61.300 -0.278 0.000 1.334 225 I CB -0.451 37.550 38.000 0.002 0.000 1.040 225 I HN 0.192 nan 8.210 nan 0.000 0.405 226 E N 1.246 121.310 120.200 -0.228 0.000 2.077 226 E HA -0.234 4.117 4.350 0.001 0.000 0.193 226 E C 1.953 178.397 176.600 -0.259 0.000 0.989 226 E CA 1.603 57.885 56.400 -0.196 0.000 0.800 226 E CB -0.027 29.616 29.700 -0.096 0.000 0.746 226 E HN 0.433 nan 8.360 nan 0.000 0.452 227 E N -0.338 119.697 120.200 -0.275 0.000 2.017 227 E HA -0.146 4.205 4.350 0.001 0.000 0.193 227 E C 2.209 178.568 176.600 -0.402 0.000 0.997 227 E CA 1.413 57.644 56.400 -0.282 0.000 0.804 227 E CB -0.144 29.412 29.700 -0.240 0.000 0.757 227 E HN 0.164 nan 8.360 nan 0.000 0.448 228 S N 1.250 116.573 115.700 -0.628 0.000 2.372 228 S HA -0.217 4.254 4.470 0.001 0.000 0.227 228 S C 1.980 176.209 174.600 -0.618 0.000 1.044 228 S CA 1.179 58.967 58.200 -0.686 0.000 1.050 228 S CB -0.341 62.287 63.200 -0.954 0.000 0.901 228 S HN 0.148 nan 8.310 nan 0.000 0.447 229 L N 2.409 123.185 121.223 -0.744 0.000 2.056 229 L HA -0.007 4.334 4.340 0.001 0.000 0.207 229 L C 1.692 178.390 176.870 -0.285 0.000 1.078 229 L CA 1.696 56.247 54.840 -0.481 0.000 0.749 229 L CB -0.808 41.052 42.059 -0.332 0.000 0.901 229 L HN 0.104 nan 8.230 nan 0.000 0.433 230 N N -0.178 118.375 118.700 -0.245 0.000 2.309 230 N HA -0.191 4.549 4.740 0.001 0.000 0.182 230 N C 1.763 177.170 175.510 -0.171 0.000 1.018 230 N CA 1.116 54.065 53.050 -0.167 0.000 0.876 230 N CB -0.162 38.243 38.487 -0.137 0.000 0.972 230 N HN 0.444 nan 8.380 nan 0.000 0.434 231 K N 0.121 120.395 120.400 -0.210 0.000 2.076 231 K HA -0.004 4.317 4.320 0.001 0.000 0.204 231 K C 1.802 178.289 176.600 -0.187 0.000 1.051 231 K CA 0.598 56.774 56.287 -0.184 0.000 0.949 231 K CB -0.062 32.321 32.500 -0.196 0.000 0.726 231 K HN -0.023 nan 8.250 nan 0.000 0.443 232 I N 1.186 121.609 120.570 -0.244 0.000 2.286 232 I HA -0.166 4.005 4.170 0.001 0.000 0.245 232 I C 1.753 177.712 176.117 -0.264 0.000 1.104 232 I CA 1.582 62.717 61.300 -0.274 0.000 1.397 232 I CB -0.437 37.325 38.000 -0.397 0.000 1.072 232 I HN 0.131 nan 8.210 nan 0.000 0.417 233 T N 1.025 115.414 114.554 -0.274 0.000 2.699 233 T HA -0.181 4.169 4.350 0.001 0.000 0.268 233 T C 1.764 176.412 174.700 -0.087 0.000 1.036 233 T CA 1.590 63.605 62.100 -0.141 0.000 1.147 233 T CB -0.519 68.289 68.868 -0.099 0.000 0.862 233 T HN 0.499 nan 8.240 nan 0.000 0.446 234 A N 1.111 123.872 122.820 -0.099 0.000 2.239 234 A HA 0.063 4.384 4.320 0.001 0.000 0.209 234 A C 1.342 178.883 177.584 -0.071 0.000 1.171 234 A CA 0.620 52.613 52.037 -0.074 0.000 0.768 234 A CB -0.010 18.944 19.000 -0.077 0.000 0.790 234 A HN 0.388 nan 8.150 nan 0.000 0.478 235 N N 0.079 118.728 118.700 -0.085 0.000 2.571 235 N HA 0.118 4.859 4.740 0.001 0.000 0.298 235 N C -0.706 174.764 175.510 -0.065 0.000 1.671 235 N CA -0.006 52.996 53.050 -0.080 0.000 0.900 235 N CB 0.090 38.514 38.487 -0.105 0.000 1.365 235 N HN 0.506 nan 8.380 nan 0.000 0.493 236 N N -0.760 117.915 118.700 -0.042 0.000 2.753 236 N HA -0.165 4.576 4.740 0.001 0.000 0.251 236 N C 0.532 176.034 175.510 -0.014 0.000 1.097 236 N CA 0.665 53.702 53.050 -0.022 0.000 0.786 236 N CB -0.979 37.500 38.487 -0.014 0.000 1.137 236 N HN 0.376 nan 8.380 nan 0.000 0.566 237 G N 0.545 109.336 108.800 -0.015 0.000 2.224 237 G HA2 0.048 4.009 3.960 0.001 0.000 0.239 237 G HA3 0.048 4.009 3.960 0.001 0.000 0.239 237 G C -0.167 174.902 174.900 0.282 0.000 1.240 237 G CA 0.166 45.315 45.100 0.081 0.000 0.896 237 G HN 0.304 nan 8.290 nan 0.000 0.496 238 N N 1.500 120.404 118.700 0.339 0.000 2.448 238 N HA 0.134 4.875 4.740 0.001 0.000 0.279 238 N C -1.436 174.056 175.510 -0.030 0.000 1.025 238 N CA -0.576 52.550 53.050 0.126 0.000 0.898 238 N CB 2.188 40.567 38.487 -0.180 0.000 1.303 238 N HN 0.494 nan 8.380 nan 0.000 0.495 239 D N 2.380 122.633 120.400 -0.246 0.000 2.317 239 D HA 0.100 4.740 4.640 0.001 0.000 0.252 239 D C 1.703 177.787 176.300 -0.360 0.000 1.174 239 D CA -0.450 53.146 54.000 -0.675 0.000 0.866 239 D CB 0.827 41.348 40.800 -0.464 0.000 1.127 239 D HN 0.561 nan 8.370 nan 0.000 0.467 240 I N 1.798 122.147 120.570 -0.367 0.000 2.614 240 I HA -0.094 4.077 4.170 0.001 0.000 0.258 240 I C 1.311 177.263 176.117 -0.275 0.000 1.189 240 I CA 0.592 61.694 61.300 -0.330 0.000 1.462 240 I CB 0.025 37.805 38.000 -0.367 0.000 1.092 240 I HN 0.085 nan 8.210 nan 0.000 0.442 241 R N 1.709 122.071 120.500 -0.229 0.000 2.328 241 R HA 0.065 4.405 4.340 0.001 0.000 0.200 241 R C -0.096 176.141 176.300 -0.105 0.000 0.983 241 R CA 0.331 56.349 56.100 -0.136 0.000 1.062 241 R CB -1.121 29.124 30.300 -0.092 0.000 0.956 241 R HN 0.522 nan 8.270 nan 0.000 0.479 242 N N 0.020 118.636 118.700 -0.139 0.000 2.451 242 N HA 0.240 4.981 4.740 0.001 0.000 0.271 242 N C -1.163 174.265 175.510 -0.136 0.000 1.410 242 N CA -0.049 52.943 53.050 -0.096 0.000 0.884 242 N CB 0.847 39.296 38.487 -0.064 0.000 1.332 242 N HN -0.055 nan 8.380 nan 0.000 0.498 243 L N 0.279 121.376 121.223 -0.209 0.000 2.356 243 L HA 0.435 4.775 4.340 0.001 0.000 0.277 243 L C 0.863 177.761 176.870 0.047 0.000 0.996 243 L CA -0.582 54.062 54.840 -0.327 0.000 0.822 243 L CB 2.278 43.661 42.059 -1.127 0.000 1.256 243 L HN 0.150 nan 8.230 nan 0.000 0.413 244 E N 2.877 123.260 120.200 0.305 0.000 2.004 244 E HA -0.140 4.211 4.350 0.001 0.000 0.192 244 E C 0.914 177.617 176.600 0.171 0.000 0.987 244 E CA 0.987 57.505 56.400 0.196 0.000 0.822 244 E CB 0.095 29.886 29.700 0.152 0.000 0.779 244 E HN 0.577 nan 8.360 nan 0.000 0.458 245 K N 0.332 120.827 120.400 0.159 0.000 2.372 245 K HA 0.151 4.472 4.320 0.001 0.000 0.200 245 K C 1.275 177.863 176.600 -0.021 0.000 1.022 245 K CA -0.083 56.220 56.287 0.026 0.000 1.125 245 K CB 0.017 32.490 32.500 -0.045 0.000 0.855 245 K HN -0.008 nan 8.250 nan 0.000 0.524 246 F N 2.676 122.581 119.950 -0.075 0.000 2.225 246 F HA -0.185 4.343 4.527 0.001 0.000 0.302 246 F C 1.402 177.125 175.800 -0.127 0.000 1.068 246 F CA 0.761 58.694 58.000 -0.112 0.000 1.327 246 F CB -0.146 38.765 39.000 -0.148 0.000 1.043 246 F HN 0.114 nan 8.300 nan 0.000 0.506 247 A N 0.882 123.745 122.820 0.072 0.000 2.666 247 A HA 0.066 4.387 4.320 0.001 0.000 0.312 247 A C -0.122 177.445 177.584 -0.027 0.000 1.471 247 A CA -0.460 51.576 52.037 -0.003 0.000 1.134 247 A CB -0.570 18.428 19.000 -0.004 0.000 1.129 247 A HN 0.177 nan 8.150 nan 0.000 0.539 248 D N 2.301 122.672 120.400 -0.047 0.000 2.348 248 D HA 0.002 4.643 4.640 0.001 0.000 0.253 248 D C 0.852 177.125 176.300 -0.044 0.000 1.161 248 D CA 0.019 53.988 54.000 -0.051 0.000 0.876 248 D CB 0.868 41.629 40.800 -0.065 0.000 1.160 248 D HN 0.711 nan 8.370 nan 0.000 0.459 249 E N 2.790 122.970 120.200 -0.035 0.000 2.106 249 E HA -0.173 4.178 4.350 0.001 0.000 0.192 249 E C 0.748 177.332 176.600 -0.028 0.000 0.984 249 E CA 0.966 57.350 56.400 -0.026 0.000 0.806 249 E CB 0.335 30.023 29.700 -0.021 0.000 0.750 249 E HN 0.523 nan 8.360 nan 0.000 0.458 250 D N 0.333 120.712 120.400 -0.036 0.000 2.149 250 D HA -0.123 4.517 4.640 0.001 0.000 0.201 250 D C 2.007 178.272 176.300 -0.059 0.000 0.972 250 D CA 0.452 54.427 54.000 -0.041 0.000 0.835 250 D CB 0.026 40.802 40.800 -0.040 0.000 0.966 250 D HN 0.184 nan 8.370 nan 0.000 0.476 251 L N 0.913 122.098 121.223 -0.064 0.000 2.056 251 L HA -0.132 4.209 4.340 0.001 0.000 0.207 251 L C 2.435 179.276 176.870 -0.048 0.000 1.078 251 L CA 1.054 55.847 54.840 -0.079 0.000 0.749 251 L CB -0.450 41.559 42.059 -0.083 0.000 0.901 251 L HN -0.145 nan 8.230 nan 0.000 0.433 252 V N -0.471 119.427 119.914 -0.027 0.000 2.332 252 V HA -0.338 3.783 4.120 0.001 0.000 0.248 252 V C 2.720 178.851 176.094 0.061 0.000 1.055 252 V CA 2.061 64.376 62.300 0.025 0.000 1.038 252 V CB -0.758 31.068 31.823 0.006 0.000 0.651 252 V HN 0.464 nan 8.190 nan 0.000 0.450 253 R N -0.398 120.105 120.500 0.006 0.000 2.096 253 R HA -0.101 4.240 4.340 0.001 0.000 0.235 253 R C 2.246 178.518 176.300 -0.047 0.000 1.127 253 R CA 1.421 57.519 56.100 -0.004 0.000 0.968 253 R CB -0.176 30.113 30.300 -0.017 0.000 0.861 253 R HN 0.472 nan 8.270 nan 0.000 0.440 254 L N -0.799 120.355 121.223 -0.115 0.000 2.044 254 L HA -0.168 4.172 4.340 0.001 0.000 0.205 254 L C 2.405 179.160 176.870 -0.192 0.000 1.075 254 L CA 1.165 55.839 54.840 -0.275 0.000 0.747 254 L CB -0.801 40.960 42.059 -0.497 0.000 0.903 254 L HN 0.236 nan 8.230 nan 0.000 0.435 255 Y N 1.436 121.623 120.300 -0.189 0.000 2.128 255 Y HA -0.259 4.291 4.550 0.001 0.000 0.284 255 Y C 2.507 178.352 175.900 -0.091 0.000 1.154 255 Y CA 1.686 59.705 58.100 -0.135 0.000 1.149 255 Y CB -0.389 38.001 38.460 -0.117 0.000 0.976 255 Y HN 0.174 nan 8.280 nan 0.000 0.505 256 N N 0.543 119.154 118.700 -0.147 0.000 2.223 256 N HA -0.227 4.513 4.740 0.001 0.000 0.185 256 N C 1.906 177.306 175.510 -0.183 0.000 1.016 256 N CA 1.526 54.463 53.050 -0.188 0.000 0.863 256 N CB -0.352 38.157 38.487 0.036 0.000 0.983 256 N HN 0.712 nan 8.380 nan 0.000 0.429 257 Q N 1.063 120.787 119.800 -0.128 0.000 2.046 257 Q HA -0.114 4.227 4.340 0.001 0.000 0.200 257 Q C 1.299 177.239 176.000 -0.100 0.000 0.975 257 Q CA 1.137 56.893 55.803 -0.078 0.000 0.836 257 Q CB 0.099 28.824 28.738 -0.022 0.000 0.896 257 Q HN 0.129 nan 8.270 nan 0.000 0.428 258 E N 0.622 120.746 120.200 -0.126 0.000 2.107 258 E HA -0.140 4.210 4.350 0.001 0.000 0.191 258 E C 2.079 178.572 176.600 -0.178 0.000 0.982 258 E CA 0.643 56.977 56.400 -0.110 0.000 0.809 258 E CB -0.280 29.374 29.700 -0.077 0.000 0.756 258 E HN 0.338 nan 8.360 nan 0.000 0.459 259 L N 0.521 121.556 121.223 -0.313 0.000 1.948 259 L HA -0.164 4.176 4.340 0.001 0.000 0.212 259 L C 2.198 179.004 176.870 -0.106 0.000 1.074 259 L CA 1.664 56.318 54.840 -0.310 0.000 0.753 259 L CB -0.414 41.288 42.059 -0.596 0.000 0.888 259 L HN -0.075 nan 8.230 nan 0.000 0.432 260 V N -1.437 118.393 119.914 -0.139 0.000 3.307 260 V HA 0.019 4.140 4.120 0.001 0.000 0.253 260 V C 2.122 178.229 176.094 0.023 0.000 1.149 260 V CA 1.001 63.263 62.300 -0.064 0.000 1.112 260 V CB -0.256 31.376 31.823 -0.319 0.000 0.777 260 V HN 0.437 nan 8.190 nan 0.000 0.464 261 E N -0.009 120.103 120.200 -0.147 0.000 2.127 261 E HA 0.038 4.388 4.350 0.001 0.000 0.191 261 E C 2.164 178.433 176.600 -0.553 0.000 0.964 261 E CA 0.326 56.603 56.400 -0.205 0.000 0.832 261 E CB 0.130 29.755 29.700 -0.125 0.000 0.790 261 E HN 0.274 nan 8.360 nan 0.000 0.465 262 R N -0.467 119.768 120.500 -0.442 0.000 2.254 262 R HA 0.012 4.353 4.340 0.001 0.000 0.193 262 R C -0.145 175.928 176.300 -0.378 0.000 0.929 262 R CA 0.107 55.911 56.100 -0.493 0.000 1.038 262 R CB 0.126 30.251 30.300 -0.291 0.000 1.009 262 R HN 0.256 nan 8.270 nan 0.000 0.512 263 W N 0.357 121.570 121.300 -0.145 0.000 4.141 263 W HA -0.224 4.437 4.660 0.001 0.000 0.336 263 W C -0.116 176.279 176.519 -0.206 0.000 1.258 263 W CA -0.095 57.144 57.345 -0.176 0.000 0.747 263 W CB -2.885 26.493 29.460 -0.137 0.000 2.338 263 W HN 0.092 nan 8.180 nan 0.000 1.410 264 N N 1.571 120.240 118.700 -0.052 0.000 2.609 264 N HA 0.324 5.065 4.740 0.001 0.000 0.234 264 N C 0.665 176.116 175.510 -0.098 0.000 1.001 264 N CA -0.291 52.695 53.050 -0.106 0.000 0.926 264 N CB 0.524 38.927 38.487 -0.140 0.000 1.130 264 N HN -0.191 nan 8.380 nan 0.000 0.510 265 L N 2.196 123.353 121.223 -0.111 0.000 2.270 265 L HA 0.187 4.528 4.340 0.001 0.000 0.210 265 L C 2.124 178.927 176.870 -0.111 0.000 1.104 265 L CA 0.883 55.638 54.840 -0.143 0.000 0.804 265 L CB -1.666 40.262 42.059 -0.218 0.000 0.937 265 L HN 0.584 nan 8.230 nan 0.000 0.450 266 A N 0.025 122.794 122.820 -0.086 0.000 1.902 266 A HA -0.095 4.225 4.320 0.001 0.000 0.217 266 A C 2.485 180.065 177.584 -0.007 0.000 1.181 266 A CA 1.727 53.742 52.037 -0.036 0.000 0.623 266 A CB -0.495 18.492 19.000 -0.022 0.000 0.818 266 A HN 0.349 nan 8.150 nan 0.000 0.443 267 A N -0.436 122.378 122.820 -0.009 0.000 1.930 267 A HA 0.320 4.641 4.320 0.001 0.000 0.215 267 A C 2.447 180.050 177.584 0.031 0.000 1.176 267 A CA 1.618 53.679 52.037 0.040 0.000 0.632 267 A CB -0.832 18.210 19.000 0.070 0.000 0.819 267 A HN 0.928 nan 8.150 nan 0.000 0.445 268 A N -0.546 122.258 122.820 -0.026 0.000 1.877 268 A HA -0.114 4.206 4.320 0.001 0.000 0.216 268 A C 2.488 180.147 177.584 0.125 0.000 1.186 268 A CA 2.134 54.159 52.037 -0.020 0.000 0.620 268 A CB -1.016 17.861 19.000 -0.205 0.000 0.822 268 A HN 0.581 nan 8.150 nan 0.000 0.443 269 S N -0.349 115.386 115.700 0.058 0.000 2.399 269 S HA -0.193 4.278 4.470 0.001 0.000 0.231 269 S C 1.639 176.231 174.600 -0.012 0.000 1.022 269 S CA 1.689 59.921 58.200 0.052 0.000 0.983 269 S CB -0.591 62.638 63.200 0.048 0.000 0.803 269 S HN 0.540 nan 8.310 nan 0.000 0.480 270 D N 1.217 121.619 120.400 0.004 0.000 2.104 270 D HA -0.079 4.562 4.640 0.001 0.000 0.194 270 D C 1.850 178.147 176.300 -0.005 0.000 0.994 270 D CA 1.416 55.417 54.000 0.001 0.000 0.830 270 D CB -0.404 40.434 40.800 0.062 0.000 0.959 270 D HN 0.477 nan 8.370 nan 0.000 0.452 271 I N 0.206 120.791 120.570 0.025 0.000 2.202 271 I HA -0.218 3.953 4.170 0.001 0.000 0.242 271 I C 2.350 178.437 176.117 -0.051 0.000 1.091 271 I CA 0.352 61.651 61.300 -0.001 0.000 1.368 271 I CB -0.147 37.863 38.000 0.017 0.000 1.058 271 I HN -0.018 nan 8.210 nan 0.000 0.410 272 L N 1.744 122.945 121.223 -0.037 0.000 1.990 272 L HA -0.254 4.087 4.340 0.001 0.000 0.213 272 L C 2.842 179.592 176.870 -0.200 0.000 1.072 272 L CA 2.013 56.749 54.840 -0.174 0.000 0.755 272 L CB -0.756 41.212 42.059 -0.151 0.000 0.889 272 L HN 0.276 nan 8.230 nan 0.000 0.432 273 R N -0.805 119.571 120.500 -0.207 0.000 2.096 273 R HA -0.186 4.155 4.340 0.001 0.000 0.235 273 R C 2.201 178.416 176.300 -0.142 0.000 1.127 273 R CA 2.142 58.066 56.100 -0.294 0.000 0.968 273 R CB -1.050 28.728 30.300 -0.870 0.000 0.861 273 R HN 0.440 nan 8.270 nan 0.000 0.440 274 I N 1.101 121.609 120.570 -0.104 0.000 2.584 274 I HA -0.105 4.065 4.170 0.001 0.000 0.255 274 I C 2.371 178.454 176.117 -0.057 0.000 1.145 274 I CA 0.899 62.175 61.300 -0.040 0.000 1.462 274 I CB 0.070 38.050 38.000 -0.033 0.000 1.102 274 I HN 0.279 nan 8.210 nan 0.000 0.433 275 S N 0.307 115.950 115.700 -0.095 0.000 2.353 275 S HA -0.200 4.271 4.470 0.001 0.000 0.222 275 S C 2.112 176.671 174.600 -0.068 0.000 1.035 275 S CA 1.700 59.840 58.200 -0.100 0.000 1.025 275 S CB -0.162 62.954 63.200 -0.140 0.000 0.902 275 S HN 0.356 nan 8.310 nan 0.000 0.440 276 M N 0.950 120.485 119.600 -0.108 0.000 2.159 276 M HA 0.025 4.506 4.480 0.001 0.000 0.263 276 M C 2.186 178.598 176.300 0.187 0.000 1.063 276 M CA 1.116 56.377 55.300 -0.065 0.000 1.110 276 M CB -1.634 30.669 32.600 -0.495 0.000 1.374 276 M HN 0.350 nan 8.290 nan 0.000 0.411 277 L N -0.180 121.156 121.223 0.188 0.000 2.083 277 L HA -0.228 4.113 4.340 0.001 0.000 0.209 277 L C 2.671 179.599 176.870 0.096 0.000 1.083 277 L CA 1.267 56.218 54.840 0.185 0.000 0.752 277 L CB -0.609 41.523 42.059 0.120 0.000 0.899 277 L HN 0.343 nan 8.230 nan 0.000 0.433 278 K N -0.214 120.204 120.400 0.031 0.000 2.057 278 K HA -0.181 4.140 4.320 0.001 0.000 0.206 278 K C 2.000 178.568 176.600 -0.054 0.000 1.050 278 K CA 1.190 57.464 56.287 -0.022 0.000 0.935 278 K CB 0.152 32.615 32.500 -0.061 0.000 0.715 278 K HN 0.196 nan 8.250 nan 0.000 0.439 279 E N 0.769 120.919 120.200 -0.083 0.000 2.046 279 E HA -0.151 4.200 4.350 0.001 0.000 0.190 279 E C 1.590 178.099 176.600 -0.151 0.000 0.982 279 E CA 1.274 57.526 56.400 -0.247 0.000 0.800 279 E CB -0.138 29.261 29.700 -0.502 0.000 0.756 279 E HN 0.368 nan 8.360 nan 0.000 0.449 280 D N -0.846 119.604 120.400 0.082 0.000 2.338 280 D HA 0.112 4.753 4.640 0.001 0.000 0.208 280 D C 0.390 176.792 176.300 0.169 0.000 0.997 280 D CA 0.994 55.120 54.000 0.209 0.000 0.880 280 D CB 0.530 41.617 40.800 0.479 0.000 0.980 280 D HN 0.203 nan 8.370 nan 0.000 0.509 281 G N -1.141 107.743 108.800 0.139 0.000 2.785 281 G HA2 0.343 4.304 3.960 0.001 0.000 0.685 281 G HA3 0.343 4.304 3.960 0.001 0.000 0.685 281 G C 0.465 175.354 174.900 -0.018 0.000 1.480 281 G CA -0.304 44.834 45.100 0.063 0.000 0.915 281 G HN 1.018 nan 8.290 nan 0.000 0.576 282 G N -1.783 106.968 108.800 -0.082 0.000 2.260 282 G HA2 0.512 4.473 3.960 0.001 0.000 0.250 282 G HA3 0.512 4.473 3.960 0.001 0.000 0.250 282 G C -0.933 173.889 174.900 -0.129 0.000 1.340 282 G CA 0.451 45.465 45.100 -0.144 0.000 1.056 282 G HN 2.048 nan 8.290 nan 0.000 0.471 283 V N 0.901 120.719 119.914 -0.160 0.000 2.409 283 V HA 0.581 4.701 4.120 0.001 0.000 0.291 283 V C -0.681 175.297 176.094 -0.194 0.000 1.020 283 V CA -0.595 61.644 62.300 -0.103 0.000 0.848 283 V CB 1.234 33.007 31.823 -0.083 0.000 0.990 283 V HN 0.897 nan 8.190 nan 0.000 0.430 284 Y N 6.173 126.379 120.300 -0.157 0.000 2.320 284 Y HA 0.766 5.316 4.550 0.001 0.000 0.334 284 Y C -0.828 174.911 175.900 -0.267 0.000 1.055 284 Y CA -0.615 57.387 58.100 -0.163 0.000 1.143 284 Y CB 1.214 39.671 38.460 -0.004 0.000 1.193 284 Y HN 0.559 nan 8.280 nan 0.000 0.477 285 L N 5.749 125.972 121.223 -1.665 0.000 2.410 285 L HA 0.348 4.689 4.340 0.001 0.000 0.270 285 L C -0.849 175.332 176.870 -1.148 0.000 0.983 285 L CA -1.141 52.926 54.840 -1.289 0.000 0.822 285 L CB 1.818 43.108 42.059 -1.281 0.000 1.285 285 L HN 0.620 nan 8.230 nan 0.000 0.409 286 D N 0.819 120.977 120.400 -0.404 0.000 2.423 286 D HA 0.030 4.671 4.640 0.001 0.000 0.238 286 D C 1.154 177.555 176.300 0.168 0.000 1.142 286 D CA -0.017 54.003 54.000 0.034 0.000 0.884 286 D CB 1.762 42.648 40.800 0.144 0.000 1.199 286 D HN 0.397 nan 8.370 nan 0.000 0.438 287 V N -0.405 119.677 119.914 0.281 0.000 3.141 287 V HA -0.140 3.981 4.120 0.001 0.000 0.265 287 V C 0.820 176.968 176.094 0.090 0.000 1.126 287 V CA 1.295 63.745 62.300 0.251 0.000 1.141 287 V CB -0.626 31.280 31.823 0.139 0.000 0.743 287 V HN 0.425 nan 8.190 nan 0.000 0.492 288 D N -0.941 119.494 120.400 0.059 0.000 2.336 288 D HA 0.161 4.802 4.640 0.001 0.000 0.228 288 D C 0.507 176.977 176.300 0.283 0.000 1.120 288 D CA -0.037 53.932 54.000 -0.052 0.000 0.839 288 D CB -0.165 40.598 40.800 -0.063 0.000 0.932 288 D HN 0.361 nan 8.370 nan 0.000 0.509 289 M N 0.663 120.497 119.600 0.391 0.000 2.363 289 M HA 0.452 4.932 4.480 0.001 0.000 0.343 289 M C -0.361 176.356 176.300 0.696 0.000 1.165 289 M CA -0.627 54.934 55.300 0.436 0.000 1.046 289 M CB 2.029 34.789 32.600 0.266 0.000 1.648 289 M HN -0.037 nan 8.290 nan 0.000 0.452 290 L N 3.048 124.494 121.223 0.372 0.000 2.319 290 L HA 0.579 4.920 4.340 0.001 0.000 0.267 290 L C -2.167 174.288 176.870 -0.693 0.000 1.011 290 L CA -2.001 52.728 54.840 -0.185 0.000 0.818 290 L CB 2.376 44.230 42.059 -0.341 0.000 1.316 290 L HN 0.370 nan 8.230 nan 0.000 0.432 291 P HA 0.031 nan 4.420 nan 0.000 0.268 291 P C -0.170 176.720 177.300 -0.684 0.000 1.208 291 P CA -0.177 61.935 63.100 -1.646 0.000 0.777 291 P CB 0.381 31.046 31.700 -1.725 0.000 0.875 292 G N 1.845 110.477 108.800 -0.281 0.000 2.614 292 G HA2 0.269 4.229 3.960 0.001 0.000 0.239 292 G HA3 0.269 4.229 3.960 0.001 0.000 0.239 292 G C -0.260 174.713 174.900 0.122 0.000 1.240 292 G CA -0.511 44.580 45.100 -0.014 0.000 0.842 292 G HN 0.408 nan 8.290 nan 0.000 0.584 293 I N 0.929 121.600 120.570 0.168 0.000 2.396 293 I HA 0.104 4.274 4.170 0.001 0.000 0.292 293 I C 0.392 176.554 176.117 0.075 0.000 0.999 293 I CA -0.742 60.658 61.300 0.166 0.000 1.310 293 I CB 1.489 39.588 38.000 0.165 0.000 1.404 293 I HN 0.279 nan 8.210 nan 0.000 0.496 294 Q N 6.509 126.314 119.800 0.008 0.000 2.436 294 Q HA -0.079 4.262 4.340 0.001 0.000 0.326 294 Q C -1.534 174.462 176.000 -0.006 0.000 1.079 294 Q CA -0.511 55.281 55.803 -0.019 0.000 1.049 294 Q CB 0.244 28.934 28.738 -0.079 0.000 1.047 294 Q HN 0.401 nan 8.270 nan 0.000 0.386 295 P HA -0.225 nan 4.420 nan 0.000 0.217 295 P C 0.903 178.222 177.300 0.031 0.000 1.158 295 P CA 1.427 64.555 63.100 0.046 0.000 0.887 295 P CB 0.209 31.935 31.700 0.042 0.000 0.792 296 D N -1.054 119.343 120.400 -0.005 0.000 2.277 296 D HA -0.102 4.538 4.640 0.001 0.000 0.208 296 D C 1.801 178.062 176.300 -0.064 0.000 0.962 296 D CA 0.409 54.398 54.000 -0.019 0.000 0.865 296 D CB -0.253 40.532 40.800 -0.025 0.000 0.939 296 D HN -0.021 nan 8.370 nan 0.000 0.510 297 L N -0.146 120.989 121.223 -0.147 0.000 2.017 297 L HA -0.115 4.225 4.340 0.001 0.000 0.208 297 L C 1.265 177.926 176.870 -0.347 0.000 1.073 297 L CA 1.722 56.356 54.840 -0.343 0.000 0.745 297 L CB -0.606 41.106 42.059 -0.580 0.000 0.894 297 L HN -0.111 nan 8.230 nan 0.000 0.432 298 F N -0.305 119.640 119.950 -0.008 0.000 2.654 298 F HA 0.230 4.758 4.527 0.001 0.000 0.303 298 F C 1.762 177.577 175.800 0.024 0.000 1.099 298 F CA -0.096 57.892 58.000 -0.021 0.000 1.270 298 F CB -0.641 38.357 39.000 -0.004 0.000 1.024 298 F HN 0.179 nan 8.300 nan 0.000 0.548 299 K N -1.344 119.157 120.400 0.168 0.000 2.519 299 K HA -0.068 4.252 4.320 0.001 0.000 0.196 299 K C 1.519 178.180 176.600 0.101 0.000 1.041 299 K CA 1.420 57.784 56.287 0.128 0.000 0.954 299 K CB -0.137 32.408 32.500 0.075 0.000 0.774 299 K HN 0.089 nan 8.250 nan 0.000 0.480 300 S N 0.162 115.920 115.700 0.097 0.000 2.559 300 S HA 0.312 4.783 4.470 0.001 0.000 0.226 300 S C 0.149 174.777 174.600 0.047 0.000 1.000 300 S CA -0.791 57.442 58.200 0.055 0.000 0.948 300 S CB 0.189 63.408 63.200 0.032 0.000 0.870 300 S HN 0.274 nan 8.310 nan 0.000 0.497 301 I N 3.213 123.831 120.570 0.079 0.000 2.307 301 I HA 0.301 4.471 4.170 0.001 0.000 0.289 301 I C -0.123 176.061 176.117 0.112 0.000 1.021 301 I CA -0.720 60.612 61.300 0.054 0.000 1.224 301 I CB 0.729 38.676 38.000 -0.089 0.000 1.376 301 I HN 0.057 nan 8.210 nan 0.000 0.470 302 N N 6.881 125.585 118.700 0.007 0.000 2.475 302 N HA -0.013 4.728 4.740 0.001 0.000 0.267 302 N C -0.175 175.169 175.510 -0.276 0.000 1.169 302 N CA 0.093 53.091 53.050 -0.086 0.000 0.947 302 N CB 0.847 39.282 38.487 -0.085 0.000 1.061 302 N HN 0.498 nan 8.380 nan 0.000 0.466 303 K N 4.390 124.448 120.400 -0.571 0.000 2.451 303 K HA 0.126 4.447 4.320 0.001 0.000 0.280 303 K C -2.169 174.050 176.600 -0.636 0.000 1.020 303 K CA -1.045 54.516 56.287 -1.211 0.000 1.008 303 K CB 0.226 31.909 32.500 -1.361 0.000 0.917 303 K HN 0.407 nan 8.250 nan 0.000 0.478 304 P HA -0.041 nan 4.420 nan 0.000 0.264 304 P C -0.328 176.833 177.300 -0.231 0.000 1.193 304 P CA -0.072 62.861 63.100 -0.279 0.000 0.763 304 P CB 0.565 32.151 31.700 -0.190 0.000 0.810 305 D N 1.131 121.439 120.400 -0.153 0.000 2.133 305 D HA -0.177 4.464 4.640 0.001 0.000 0.195 305 D C 1.829 178.077 176.300 -0.086 0.000 0.997 305 D CA 1.457 55.389 54.000 -0.113 0.000 0.840 305 D CB -0.644 40.110 40.800 -0.076 0.000 0.947 305 D HN 0.332 nan 8.370 nan 0.000 0.452 306 S N -0.244 115.413 115.700 -0.072 0.000 2.387 306 S HA -0.127 4.344 4.470 0.001 0.000 0.230 306 S C 1.063 175.644 174.600 -0.033 0.000 1.035 306 S CA 0.491 58.665 58.200 -0.043 0.000 1.014 306 S CB -0.195 62.985 63.200 -0.034 0.000 0.836 306 S HN 0.152 nan 8.310 nan 0.000 0.466 307 I N 2.595 123.132 120.570 -0.054 0.000 2.441 307 I HA 0.148 4.319 4.170 0.001 0.000 0.287 307 I C 0.912 177.026 176.117 -0.005 0.000 1.049 307 I CA -0.432 60.861 61.300 -0.011 0.000 1.381 307 I CB 1.153 39.160 38.000 0.011 0.000 1.409 307 I HN 0.271 nan 8.210 nan 0.000 0.523 308 T N 1.637 116.219 114.554 0.046 0.000 2.828 308 T HA 0.123 4.473 4.350 0.001 0.000 0.290 308 T C 0.921 175.685 174.700 0.106 0.000 1.019 308 T CA -0.383 61.751 62.100 0.056 0.000 1.031 308 T CB 0.798 69.703 68.868 0.062 0.000 1.001 308 T HN 0.586 nan 8.240 nan 0.000 0.531 309 N N 0.576 119.337 118.700 0.101 0.000 2.104 309 N HA -0.080 4.661 4.740 0.001 0.000 0.190 309 N C 2.011 177.636 175.510 0.191 0.000 1.024 309 N CA 1.780 54.922 53.050 0.153 0.000 0.853 309 N CB -0.689 37.868 38.487 0.117 0.000 1.008 309 N HN 0.700 nan 8.380 nan 0.000 0.424 310 T N -0.136 114.504 114.554 0.143 0.000 2.720 310 T HA -0.120 4.231 4.350 0.001 0.000 0.268 310 T C 2.010 176.801 174.700 0.152 0.000 1.037 310 T CA 1.434 63.614 62.100 0.133 0.000 1.144 310 T CB -0.355 68.574 68.868 0.102 0.000 0.864 310 T HN 0.193 nan 8.240 nan 0.000 0.444 311 S N -0.219 115.581 115.700 0.166 0.000 2.368 311 S HA -0.047 4.424 4.470 0.001 0.000 0.224 311 S C 1.601 176.358 174.600 0.261 0.000 1.029 311 S CA 0.571 58.878 58.200 0.179 0.000 0.988 311 S CB -0.392 62.903 63.200 0.158 0.000 0.838 311 S HN 0.598 nan 8.310 nan 0.000 0.462 312 W N 2.618 123.954 121.300 0.060 0.000 2.333 312 W HA -0.174 4.487 4.660 0.001 0.000 0.316 312 W C 1.987 178.557 176.519 0.086 0.000 1.215 312 W CA 1.230 58.621 57.345 0.076 0.000 1.278 312 W CB -0.059 29.450 29.460 0.081 0.000 1.154 312 W HN 0.296 nan 8.180 nan 0.000 0.486 313 E N 0.076 120.387 120.200 0.185 0.000 2.085 313 E HA -0.311 4.039 4.350 0.001 0.000 0.194 313 E C 1.989 178.605 176.600 0.027 0.000 0.994 313 E CA 1.809 58.253 56.400 0.073 0.000 0.801 313 E CB -0.966 28.811 29.700 0.129 0.000 0.743 313 E HN 0.453 nan 8.360 nan 0.000 0.453 314 M N 0.831 120.471 119.600 0.066 0.000 2.117 314 M HA -0.157 4.324 4.480 0.001 0.000 0.262 314 M C 2.394 178.698 176.300 0.007 0.000 1.065 314 M CA 1.453 56.792 55.300 0.066 0.000 1.114 314 M CB -0.149 32.503 32.600 0.087 0.000 1.361 314 M HN 0.158 nan 8.290 nan 0.000 0.408 315 I N -0.713 119.822 120.570 -0.059 0.000 2.546 315 I HA -0.168 4.003 4.170 0.001 0.000 0.255 315 I C 1.747 177.611 176.117 -0.421 0.000 1.163 315 I CA 1.579 62.775 61.300 -0.174 0.000 1.457 315 I CB -0.550 37.370 38.000 -0.132 0.000 1.092 315 I HN 0.163 nan 8.210 nan 0.000 0.434 316 K N 0.810 120.919 120.400 -0.486 0.000 2.209 316 K HA -0.028 4.293 4.320 0.001 0.000 0.204 316 K C 2.033 178.517 176.600 -0.192 0.000 1.048 316 K CA 1.474 57.484 56.287 -0.461 0.000 0.940 316 K CB -0.317 32.003 32.500 -0.300 0.000 0.729 316 K HN 0.440 nan 8.250 nan 0.000 0.451 317 L N 0.827 121.977 121.223 -0.122 0.000 2.095 317 L HA -0.124 4.216 4.340 0.001 0.000 0.204 317 L C 2.192 178.898 176.870 -0.273 0.000 1.080 317 L CA 1.134 55.902 54.840 -0.120 0.000 0.759 317 L CB -0.286 41.765 42.059 -0.013 0.000 0.914 317 L HN 0.169 nan 8.230 nan 0.000 0.439 318 E N 0.322 120.424 120.200 -0.164 0.000 2.160 318 E HA -0.247 4.104 4.350 0.001 0.000 0.195 318 E C 2.245 178.507 176.600 -0.565 0.000 0.991 318 E CA 1.153 57.443 56.400 -0.184 0.000 0.810 318 E CB -0.134 29.546 29.700 -0.035 0.000 0.742 318 E HN 0.513 nan 8.360 nan 0.000 0.466 319 A N 1.670 124.040 122.820 -0.749 0.000 1.858 319 A HA -0.187 4.134 4.320 0.001 0.000 0.216 319 A C 2.143 179.425 177.584 -0.504 0.000 1.190 319 A CA 1.103 52.534 52.037 -1.011 0.000 0.617 319 A CB -0.466 17.972 19.000 -0.938 0.000 0.827 319 A HN 0.093 nan 8.150 nan 0.000 0.443 320 I N -0.063 120.332 120.570 -0.291 0.000 2.113 320 I HA -0.281 3.889 4.170 0.001 0.000 0.242 320 I C 2.457 178.317 176.117 -0.428 0.000 1.064 320 I CA 1.672 62.809 61.300 -0.271 0.000 1.320 320 I CB -1.320 36.523 38.000 -0.261 0.000 1.028 320 I HN 0.300 nan 8.210 nan 0.000 0.406 321 M N -0.057 119.254 119.600 -0.481 0.000 2.460 321 M HA -0.142 4.339 4.480 0.001 0.000 0.263 321 M C 2.055 178.093 176.300 -0.436 0.000 1.071 321 M CA 1.119 56.137 55.300 -0.470 0.000 1.096 321 M CB -1.135 31.121 32.600 -0.574 0.000 1.408 321 M HN 0.158 nan 8.290 nan 0.000 0.463 322 K N 0.450 120.502 120.400 -0.580 0.000 2.031 322 K HA -0.093 4.228 4.320 0.001 0.000 0.205 322 K C 1.515 177.642 176.600 -0.788 0.000 1.049 322 K CA 1.707 57.528 56.287 -0.776 0.000 0.939 322 K CB -0.210 31.536 32.500 -1.256 0.000 0.717 322 K HN 0.218 nan 8.250 nan 0.000 0.438 323 Y N -0.013 120.087 120.300 -0.333 0.000 2.479 323 Y HA 0.202 4.753 4.550 0.001 0.000 0.283 323 Y C 1.638 177.357 175.900 -0.302 0.000 1.109 323 Y CA 0.482 58.431 58.100 -0.253 0.000 1.239 323 Y CB 0.405 38.753 38.460 -0.186 0.000 1.108 323 Y HN -0.095 nan 8.280 nan 0.000 0.548 324 K N 0.168 120.351 120.400 -0.361 0.000 2.334 324 K HA 0.050 4.371 4.320 0.001 0.000 0.195 324 K C 0.124 176.323 176.600 -0.668 0.000 1.045 324 K CA 0.580 56.480 56.287 -0.645 0.000 1.004 324 K CB 0.148 31.918 32.500 -1.217 0.000 0.837 324 K HN 0.325 nan 8.250 nan 0.000 0.510 325 E N -0.399 119.492 120.200 -0.513 0.000 2.791 325 E HA -0.235 4.116 4.350 0.001 0.000 0.271 325 E C 0.158 176.648 176.600 -0.184 0.000 1.044 325 E CA 0.265 56.488 56.400 -0.295 0.000 0.814 325 E CB -1.687 27.903 29.700 -0.182 0.000 1.400 325 E HN 0.235 nan 8.360 nan 0.000 0.423 326 Y N -0.564 119.659 120.300 -0.129 0.000 2.151 326 Y HA -0.078 4.473 4.550 0.001 0.000 0.284 326 Y C 1.513 177.362 175.900 -0.085 0.000 1.166 326 Y CA 1.134 59.172 58.100 -0.102 0.000 1.163 326 Y CB 0.027 38.424 38.460 -0.104 0.000 0.974 326 Y HN 0.148 nan 8.280 nan 0.000 0.511 327 I N 2.985 123.581 120.570 0.042 0.000 2.382 327 I HA 0.240 4.411 4.170 0.001 0.000 0.285 327 I C -2.371 173.786 176.117 0.068 0.000 1.007 327 I CA -2.266 59.064 61.300 0.050 0.000 1.142 327 I CB 1.739 39.764 38.000 0.042 0.000 1.289 327 I HN -0.193 nan 8.210 nan 0.000 0.453 328 P HA 0.097 nan 4.420 nan 0.000 0.267 328 P C 0.787 178.125 177.300 0.062 0.000 1.209 328 P CA 0.509 63.633 63.100 0.040 0.000 0.763 328 P CB 1.012 32.727 31.700 0.026 0.000 0.816 329 G N 2.182 111.009 108.800 0.046 0.000 2.159 329 G HA2 -0.303 3.658 3.960 0.001 0.000 0.256 329 G HA3 -0.303 3.658 3.960 0.001 0.000 0.256 329 G C -0.099 174.839 174.900 0.063 0.000 0.977 329 G CA -0.233 44.891 45.100 0.038 0.000 0.652 329 G HN 0.578 nan 8.290 nan 0.000 0.531 330 Y N 2.039 122.322 120.300 -0.029 0.000 2.526 330 Y HA 0.451 5.002 4.550 0.001 0.000 0.330 330 Y C 1.386 177.255 175.900 -0.050 0.000 1.156 330 Y CA 0.939 59.023 58.100 -0.026 0.000 1.419 330 Y CB 0.651 39.077 38.460 -0.056 0.000 1.250 330 Y HN 0.232 nan 8.280 nan 0.000 0.540 331 T N 2.649 117.123 114.554 -0.134 0.000 2.855 331 T HA 0.100 4.451 4.350 0.001 0.000 0.322 331 T C 0.820 175.554 174.700 0.057 0.000 1.088 331 T CA 0.518 62.584 62.100 -0.058 0.000 1.104 331 T CB 0.165 68.954 68.868 -0.132 0.000 0.996 331 T HN 0.807 nan 8.240 nan 0.000 0.549 332 S N 1.770 117.486 115.700 0.026 0.000 2.847 332 S HA 0.250 4.721 4.470 0.001 0.000 0.254 332 S C 1.430 176.076 174.600 0.076 0.000 1.039 332 S CA -0.742 57.485 58.200 0.046 0.000 1.113 332 S CB 0.234 63.438 63.200 0.008 0.000 1.092 332 S HN 0.591 nan 8.310 nan 0.000 0.620 333 K N 3.459 123.882 120.400 0.038 0.000 2.015 333 K HA -0.176 4.144 4.320 0.001 0.000 0.220 333 K C 1.386 178.012 176.600 0.043 0.000 1.055 333 K CA 2.404 58.709 56.287 0.029 0.000 0.951 333 K CB -1.081 31.425 32.500 0.010 0.000 0.725 333 K HN 0.649 nan 8.250 nan 0.000 0.449 334 N N -0.086 118.646 118.700 0.052 0.000 2.171 334 N HA -0.104 4.636 4.740 0.001 0.000 0.184 334 N C 1.778 177.316 175.510 0.047 0.000 1.021 334 N CA 0.753 53.832 53.050 0.049 0.000 0.854 334 N CB -0.349 38.172 38.487 0.056 0.000 0.994 334 N HN 0.079 nan 8.380 nan 0.000 0.426 335 F N 2.297 122.195 119.950 -0.087 0.000 2.115 335 F HA -0.241 4.287 4.527 0.001 0.000 0.300 335 F C 1.328 177.088 175.800 -0.066 0.000 1.092 335 F CA 1.577 59.491 58.000 -0.143 0.000 1.245 335 F CB -0.155 38.708 39.000 -0.229 0.000 0.995 335 F HN -0.014 nan 8.300 nan 0.000 0.481 336 D N -0.438 119.971 120.400 0.015 0.000 2.348 336 D HA -0.093 4.548 4.640 0.001 0.000 0.216 336 D C 2.055 178.309 176.300 -0.076 0.000 0.970 336 D CA 0.798 54.778 54.000 -0.033 0.000 0.889 336 D CB -0.147 40.680 40.800 0.044 0.000 0.912 336 D HN 0.352 nan 8.370 nan 0.000 0.524 337 M N -0.271 119.288 119.600 -0.069 0.000 2.541 337 M HA 0.076 4.557 4.480 0.001 0.000 0.252 337 M C 0.348 176.608 176.300 -0.068 0.000 1.125 337 M CA 0.027 55.299 55.300 -0.047 0.000 1.091 337 M CB -0.178 32.414 32.600 -0.013 0.000 1.420 337 M HN -0.086 nan 8.290 nan 0.000 0.486 338 L N 1.425 122.565 121.223 -0.138 0.000 2.479 338 L HA 0.020 4.361 4.340 0.001 0.000 0.270 338 L C 0.454 177.268 176.870 -0.094 0.000 1.236 338 L CA 0.587 55.359 54.840 -0.114 0.000 0.823 338 L CB -0.193 41.733 42.059 -0.220 0.000 1.098 338 L HN 0.064 nan 8.230 nan 0.000 0.500 339 D N 0.503 120.879 120.400 -0.040 0.000 2.449 339 D HA -0.003 4.638 4.640 0.001 0.000 0.236 339 D C 0.968 177.246 176.300 -0.036 0.000 1.149 339 D CA 0.067 54.051 54.000 -0.027 0.000 0.878 339 D CB 0.709 41.506 40.800 -0.006 0.000 1.198 339 D HN 0.444 nan 8.370 nan 0.000 0.446 340 E N 0.987 121.174 120.200 -0.021 0.000 2.150 340 E HA -0.168 4.183 4.350 0.001 0.000 0.193 340 E C 1.537 178.147 176.600 0.017 0.000 0.985 340 E CA 0.868 57.265 56.400 -0.005 0.000 0.814 340 E CB 0.005 29.709 29.700 0.007 0.000 0.752 340 E HN 0.513 nan 8.360 nan 0.000 0.466 341 E N 0.239 120.448 120.200 0.015 0.000 2.085 341 E HA -0.159 4.192 4.350 0.001 0.000 0.194 341 E C 1.763 178.388 176.600 0.042 0.000 0.994 341 E CA 1.234 57.647 56.400 0.022 0.000 0.801 341 E CB -0.081 29.626 29.700 0.011 0.000 0.743 341 E HN 0.111 nan 8.360 nan 0.000 0.453 342 V N 0.650 120.596 119.914 0.053 0.000 2.323 342 V HA -0.219 3.902 4.120 0.001 0.000 0.244 342 V C 2.400 178.612 176.094 0.195 0.000 1.041 342 V CA 1.993 64.365 62.300 0.120 0.000 1.025 342 V CB -0.636 31.282 31.823 0.159 0.000 0.656 342 V HN 0.329 nan 8.190 nan 0.000 0.451 343 Q N -0.461 119.374 119.800 0.058 0.000 2.308 343 Q HA -0.217 4.124 4.340 0.001 0.000 0.209 343 Q C 2.340 178.532 176.000 0.321 0.000 0.985 343 Q CA 1.127 56.940 55.803 0.016 0.000 0.881 343 Q CB -0.071 28.569 28.738 -0.164 0.000 0.917 343 Q HN 0.462 nan 8.270 nan 0.000 0.443 344 R N -1.042 119.566 120.500 0.181 0.000 2.189 344 R HA 0.131 4.472 4.340 0.001 0.000 0.203 344 R C 2.076 178.427 176.300 0.084 0.000 1.012 344 R CA 0.336 56.505 56.100 0.114 0.000 1.015 344 R CB -0.121 30.214 30.300 0.059 0.000 0.938 344 R HN 0.051 nan 8.270 nan 0.000 0.472 345 S N 0.823 116.574 115.700 0.085 0.000 2.423 345 S HA -0.039 4.432 4.470 0.001 0.000 0.231 345 S C 1.449 176.045 174.600 -0.006 0.000 1.014 345 S CA 0.998 59.200 58.200 0.002 0.000 0.965 345 S CB -0.149 63.011 63.200 -0.066 0.000 0.785 345 S HN 0.152 nan 8.310 nan 0.000 0.495 346 F N 1.595 121.632 119.950 0.146 0.000 2.074 346 F HA 0.027 4.555 4.527 0.001 0.000 0.293 346 F C 2.485 178.342 175.800 0.096 0.000 1.116 346 F CA 1.131 59.253 58.000 0.203 0.000 1.212 346 F CB -0.593 38.597 39.000 0.316 0.000 0.998 346 F HN 0.172 nan 8.300 nan 0.000 0.471 347 E N -0.060 120.158 120.200 0.030 0.000 2.049 347 E HA -0.306 4.045 4.350 0.001 0.000 0.198 347 E C 2.435 178.911 176.600 -0.206 0.000 1.007 347 E CA 1.734 57.831 56.400 -0.505 0.000 0.809 347 E CB -0.337 28.896 29.700 -0.778 0.000 0.749 347 E HN 0.291 nan 8.360 nan 0.000 0.450 348 S N -0.033 115.612 115.700 -0.093 0.000 2.368 348 S HA -0.258 4.213 4.470 0.001 0.000 0.226 348 S C 2.078 176.656 174.600 -0.036 0.000 1.044 348 S CA 1.956 60.123 58.200 -0.055 0.000 1.062 348 S CB -0.415 62.769 63.200 -0.026 0.000 0.931 348 S HN 0.421 nan 8.310 nan 0.000 0.440 349 A N 0.543 123.372 122.820 0.015 0.000 2.015 349 A HA 0.190 4.511 4.320 0.001 0.000 0.219 349 A C 2.224 179.775 177.584 -0.055 0.000 1.163 349 A CA 1.251 53.290 52.037 0.003 0.000 0.646 349 A CB -0.562 18.492 19.000 0.092 0.000 0.806 349 A HN 0.594 nan 8.150 nan 0.000 0.448 350 L N -1.128 120.087 121.223 -0.014 0.000 2.270 350 L HA -0.015 4.326 4.340 0.001 0.000 0.210 350 L C 2.631 179.452 176.870 -0.082 0.000 1.104 350 L CA 0.771 55.576 54.840 -0.058 0.000 0.804 350 L CB -0.128 41.940 42.059 0.016 0.000 0.937 350 L HN 0.250 nan 8.230 nan 0.000 0.450 351 S N -0.271 115.376 115.700 -0.089 0.000 2.382 351 S HA -0.154 4.317 4.470 0.001 0.000 0.228 351 S C 2.113 176.675 174.600 -0.063 0.000 1.027 351 S CA 1.617 59.769 58.200 -0.081 0.000 0.991 351 S CB -0.123 63.026 63.200 -0.086 0.000 0.823 351 S HN 0.583 nan 8.310 nan 0.000 0.469 352 S N 0.496 116.158 115.700 -0.063 0.000 2.489 352 S HA 0.137 4.608 4.470 0.001 0.000 0.228 352 S C 0.520 175.085 174.600 -0.057 0.000 0.995 352 S CA 0.349 58.517 58.200 -0.055 0.000 0.934 352 S CB -0.053 63.115 63.200 -0.053 0.000 0.771 352 S HN 0.148 nan 8.310 nan 0.000 0.522 353 K N 2.762 123.119 120.400 -0.071 0.000 2.273 353 K HA 0.410 4.731 4.320 0.001 0.000 0.287 353 K C 0.465 177.034 176.600 -0.051 0.000 1.089 353 K CA -0.035 56.208 56.287 -0.074 0.000 0.909 353 K CB 1.256 33.688 32.500 -0.112 0.000 1.123 353 K HN 0.217 nan 8.250 nan 0.000 0.473 354 S N 1.420 117.098 115.700 -0.038 0.000 2.336 354 S HA -0.044 4.427 4.470 0.001 0.000 0.216 354 S C 0.439 175.033 174.600 -0.009 0.000 1.032 354 S CA 0.785 58.972 58.200 -0.021 0.000 0.973 354 S CB 0.063 63.251 63.200 -0.019 0.000 0.888 354 S HN 0.562 nan 8.310 nan 0.000 0.455 355 D N 1.233 121.621 120.400 -0.021 0.000 2.210 355 D HA 0.196 4.837 4.640 0.001 0.000 0.249 355 D C 0.618 176.894 176.300 -0.041 0.000 1.078 355 D CA -0.266 53.720 54.000 -0.023 0.000 0.875 355 D CB 1.272 42.056 40.800 -0.027 0.000 1.175 355 D HN 0.092 nan 8.370 nan 0.000 0.440 356 K N 0.940 121.301 120.400 -0.064 0.000 2.218 356 K HA -0.180 4.141 4.320 0.001 0.000 0.205 356 K C 1.447 177.970 176.600 -0.128 0.000 1.046 356 K CA 1.223 57.415 56.287 -0.159 0.000 0.933 356 K CB 0.065 32.364 32.500 -0.335 0.000 0.728 356 K HN 0.388 nan 8.250 nan 0.000 0.454 357 S N -0.475 115.181 115.700 -0.074 0.000 2.660 357 S HA 0.007 4.478 4.470 0.001 0.000 0.223 357 S C 0.797 175.368 174.600 -0.049 0.000 0.963 357 S CA 0.338 58.513 58.200 -0.042 0.000 0.932 357 S CB 0.099 63.287 63.200 -0.019 0.000 0.775 357 S HN 0.353 nan 8.310 nan 0.000 0.531 358 E N -0.119 120.034 120.200 -0.078 0.000 2.498 358 E HA 0.356 4.707 4.350 0.001 0.000 0.203 358 E C 1.024 177.534 176.600 -0.151 0.000 1.013 358 E CA 0.029 56.373 56.400 -0.093 0.000 0.927 358 E CB 0.232 29.881 29.700 -0.085 0.000 1.012 358 E HN 0.562 nan 8.360 nan 0.000 0.482 359 I N -0.325 120.128 120.570 -0.195 0.000 3.132 359 I HA 0.063 4.233 4.170 0.001 0.000 0.255 359 I C 0.184 176.105 176.117 -0.328 0.000 1.118 359 I CA 0.140 61.237 61.300 -0.338 0.000 1.463 359 I CB 0.407 38.155 38.000 -0.420 0.000 1.356 359 I HN -0.077 nan 8.210 nan 0.000 0.463 360 F N 1.412 121.276 119.950 -0.145 0.000 2.379 360 F HA 0.370 4.898 4.527 0.001 0.000 0.332 360 F C -0.003 175.709 175.800 -0.146 0.000 1.096 360 F CA -1.029 56.862 58.000 -0.182 0.000 1.105 360 F CB 0.799 39.633 39.000 -0.277 0.000 1.189 360 F HN -0.192 nan 8.300 nan 0.000 0.515 361 L N 5.950 127.233 121.223 0.101 0.000 2.255 361 L HA 0.520 4.861 4.340 0.001 0.000 0.289 361 L C -2.455 174.419 176.870 0.008 0.000 1.046 361 L CA -2.138 52.724 54.840 0.038 0.000 0.816 361 L CB 0.318 42.404 42.059 0.045 0.000 1.197 361 L HN 0.271 nan 8.230 nan 0.000 0.427 362 P HA 0.038 nan 4.420 nan 0.000 0.267 362 P C 0.869 178.184 177.300 0.025 0.000 1.200 362 P CA 0.048 63.157 63.100 0.015 0.000 0.772 362 P CB 0.630 32.354 31.700 0.040 0.000 0.855 363 L N 0.375 121.585 121.223 -0.022 0.000 2.131 363 L HA -0.153 4.188 4.340 0.001 0.000 0.210 363 L C 1.096 178.020 176.870 0.089 0.000 1.092 363 L CA 1.208 56.033 54.840 -0.025 0.000 0.759 363 L CB -0.601 41.263 42.059 -0.325 0.000 0.903 363 L HN 0.506 nan 8.230 nan 0.000 0.435 364 D N -0.163 120.335 120.400 0.163 0.000 3.245 364 D HA -0.233 4.408 4.640 0.001 0.000 0.196 364 D C -0.145 176.313 176.300 0.262 0.000 1.370 364 D CA 1.725 55.848 54.000 0.205 0.000 1.087 364 D CB -0.434 40.434 40.800 0.113 0.000 0.612 364 D HN 0.155 nan 8.370 nan 0.000 0.704 365 D N 1.186 121.675 120.400 0.149 0.000 2.325 365 D HA 0.380 5.021 4.640 0.001 0.000 0.251 365 D C 0.116 176.472 176.300 0.094 0.000 1.196 365 D CA -0.091 53.977 54.000 0.114 0.000 0.866 365 D CB 0.086 40.921 40.800 0.059 0.000 1.101 365 D HN 0.302 nan 8.370 nan 0.000 0.476 366 I N -1.030 119.602 120.570 0.103 0.000 2.385 366 I HA 0.412 4.583 4.170 0.001 0.000 0.294 366 I C -0.280 175.843 176.117 0.010 0.000 0.988 366 I CA -0.835 60.484 61.300 0.032 0.000 1.265 366 I CB 1.241 39.231 38.000 -0.017 0.000 1.388 366 I HN -0.259 nan 8.210 nan 0.000 0.480 367 K N 5.697 126.091 120.400 -0.010 0.000 2.172 367 K HA 0.716 5.036 4.320 0.001 0.000 0.276 367 K C -0.725 175.862 176.600 -0.022 0.000 1.013 367 K CA -0.670 55.611 56.287 -0.010 0.000 0.913 367 K CB 2.284 34.779 32.500 -0.007 0.000 1.055 367 K HN 0.613 nan 8.250 nan 0.000 0.461 368 V N 0.117 120.027 119.914 -0.007 0.000 3.120 368 V HA 0.296 4.417 4.120 0.001 0.000 0.303 368 V C -0.401 175.704 176.094 0.018 0.000 1.238 368 V CA -0.998 61.304 62.300 0.004 0.000 1.008 368 V CB 2.334 34.163 31.823 0.010 0.000 1.064 368 V HN 0.820 nan 8.190 nan 0.000 0.434 369 S N 2.638 118.356 115.700 0.031 0.000 2.585 369 S HA 0.465 4.936 4.470 0.001 0.000 0.277 369 S C -1.775 172.860 174.600 0.058 0.000 1.241 369 S CA -1.376 56.848 58.200 0.039 0.000 1.041 369 S CB 1.620 64.843 63.200 0.038 0.000 0.987 369 S HN 0.570 nan 8.310 nan 0.000 0.512 370 P HA -0.054 nan 4.420 nan 0.000 0.222 370 P C 0.894 178.247 177.300 0.089 0.000 1.142 370 P CA 1.075 64.214 63.100 0.064 0.000 0.788 370 P CB 0.035 31.768 31.700 0.055 0.000 0.767 371 L N -1.399 119.870 121.223 0.077 0.000 2.446 371 L HA 0.076 4.416 4.340 0.001 0.000 0.219 371 L C 1.458 178.417 176.870 0.149 0.000 1.116 371 L CA 0.326 55.206 54.840 0.067 0.000 0.844 371 L CB -0.286 41.772 42.059 -0.002 0.000 0.970 371 L HN 0.156 nan 8.230 nan 0.000 0.457 372 E N -0.646 119.661 120.200 0.179 0.000 2.355 372 E HA 0.572 4.923 4.350 0.001 0.000 0.261 372 E C -1.164 175.580 176.600 0.240 0.000 0.943 372 E CA -0.784 55.786 56.400 0.283 0.000 0.806 372 E CB 2.624 32.542 29.700 0.364 0.000 1.286 372 E HN -0.242 nan 8.360 nan 0.000 0.424 373 V N 1.575 121.692 119.914 0.337 0.000 2.524 373 V HA 0.277 4.398 4.120 0.001 0.000 0.297 373 V C -0.391 175.925 176.094 0.371 0.000 1.035 373 V CA -0.950 61.525 62.300 0.291 0.000 0.867 373 V CB 1.551 33.545 31.823 0.284 0.000 1.004 373 V HN 0.583 nan 8.190 nan 0.000 0.426 374 K N 4.036 124.584 120.400 0.246 0.000 2.202 374 K HA 0.670 4.990 4.320 0.001 0.000 0.264 374 K C -0.737 176.030 176.600 0.279 0.000 1.010 374 K CA -0.401 56.029 56.287 0.239 0.000 0.940 374 K CB 2.081 34.630 32.500 0.082 0.000 0.983 374 K HN 0.578 nan 8.250 nan 0.000 0.475 375 I N 0.107 120.867 120.570 0.317 0.000 2.802 375 I HA 0.308 4.479 4.170 0.001 0.000 0.298 375 I C -1.105 175.181 176.117 0.281 0.000 1.176 375 I CA -0.591 60.845 61.300 0.228 0.000 1.025 375 I CB 1.966 40.025 38.000 0.098 0.000 1.243 375 I HN 0.759 nan 8.210 nan 0.000 0.424 376 A N 5.362 128.281 122.820 0.165 0.000 2.366 376 A HA 0.587 4.908 4.320 0.001 0.000 0.249 376 A C -1.230 176.394 177.584 0.066 0.000 1.084 376 A CA 0.284 52.410 52.037 0.148 0.000 0.794 376 A CB 0.109 19.098 19.000 -0.018 0.000 1.034 376 A HN 0.520 nan 8.150 nan 0.000 0.491 377 F N -0.299 119.693 119.950 0.070 0.000 2.532 377 F HA 0.630 5.158 4.527 0.001 0.000 0.321 377 F C 0.489 176.320 175.800 0.053 0.000 1.089 377 F CA -0.027 58.013 58.000 0.067 0.000 0.926 377 F CB 2.343 41.390 39.000 0.078 0.000 1.168 377 F HN 0.709 nan 8.300 nan 0.000 0.459 378 A N 2.442 125.383 122.820 0.203 0.000 2.374 378 A HA 0.599 4.920 4.320 0.001 0.000 0.305 378 A C -0.445 177.234 177.584 0.157 0.000 1.053 378 A CA -0.844 51.284 52.037 0.151 0.000 0.726 378 A CB 0.650 19.704 19.000 0.089 0.000 1.229 378 A HN 0.802 nan 8.150 nan 0.000 0.431 379 N N 2.457 121.244 118.700 0.145 0.000 2.725 379 N HA -0.182 4.559 4.740 0.001 0.000 0.251 379 N C 0.085 175.688 175.510 0.155 0.000 1.031 379 N CA 1.347 54.471 53.050 0.124 0.000 0.720 379 N CB -1.065 37.478 38.487 0.092 0.000 0.930 379 N HN 0.830 nan 8.380 nan 0.000 0.543 380 N N -2.978 115.855 118.700 0.221 0.000 2.713 380 N HA -0.216 4.525 4.740 0.001 0.000 0.251 380 N C -0.582 175.151 175.510 0.372 0.000 1.117 380 N CA 1.554 54.774 53.050 0.283 0.000 0.770 380 N CB -1.312 37.266 38.487 0.153 0.000 1.137 380 N HN 0.772 nan 8.380 nan 0.000 0.566 381 S N -1.604 114.276 115.700 0.300 0.000 2.568 381 S HA 0.681 5.152 4.470 0.001 0.000 0.293 381 S C 0.494 174.960 174.600 -0.223 0.000 1.089 381 S CA -0.573 57.698 58.200 0.119 0.000 0.945 381 S CB 2.908 66.147 63.200 0.065 0.000 1.077 381 S HN 0.375 nan 8.310 nan 0.000 0.485 382 V N 0.162 119.739 119.914 -0.561 0.000 2.928 382 V HA 0.529 4.649 4.120 0.001 0.000 0.307 382 V C -0.167 175.739 176.094 -0.312 0.000 1.105 382 V CA -0.103 61.769 62.300 -0.714 0.000 1.223 382 V CB -0.008 31.559 31.823 -0.428 0.000 0.930 382 V HN 0.922 nan 8.190 nan 0.000 0.499 383 I N 3.935 124.346 120.570 -0.266 0.000 2.548 383 I HA 0.480 4.651 4.170 0.001 0.000 0.287 383 I C 0.329 176.348 176.117 -0.163 0.000 1.103 383 I CA -0.530 60.686 61.300 -0.140 0.000 1.049 383 I CB 1.912 39.876 38.000 -0.059 0.000 1.232 383 I HN 0.837 nan 8.210 nan 0.000 0.429 384 N N 6.502 125.093 118.700 -0.182 0.000 2.421 384 N HA -0.103 4.637 4.740 0.001 0.000 0.201 384 N C 0.766 176.245 175.510 -0.053 0.000 1.198 384 N CA 0.291 53.184 53.050 -0.263 0.000 0.838 384 N CB -0.090 38.146 38.487 -0.418 0.000 1.011 384 N HN 0.862 nan 8.380 nan 0.000 0.463 385 Q N -0.870 118.932 119.800 0.003 0.000 2.488 385 Q HA 0.189 4.530 4.340 0.001 0.000 0.211 385 Q C -0.174 175.865 176.000 0.064 0.000 0.967 385 Q CA 0.560 56.416 55.803 0.089 0.000 0.926 385 Q CB 0.123 28.888 28.738 0.046 0.000 0.992 385 Q HN 0.302 nan 8.270 nan 0.000 0.506 386 A N 0.923 123.754 122.820 0.019 0.000 2.465 386 A HA 0.679 5.000 4.320 0.001 0.000 0.292 386 A C -1.456 176.245 177.584 0.196 0.000 1.041 386 A CA -0.760 51.263 52.037 -0.023 0.000 0.718 386 A CB 1.284 20.012 19.000 -0.454 0.000 1.266 386 A HN 0.239 nan 8.150 nan 0.000 0.403 387 L N 1.947 123.367 121.223 0.329 0.000 2.424 387 L HA 0.719 5.059 4.340 0.001 0.000 0.258 387 L C -1.100 175.916 176.870 0.243 0.000 0.995 387 L CA -0.606 54.403 54.840 0.281 0.000 0.821 387 L CB 2.557 44.725 42.059 0.181 0.000 1.383 387 L HN 0.662 nan 8.230 nan 0.000 0.410 388 I N 1.125 121.782 120.570 0.145 0.000 2.571 388 I HA 0.458 4.629 4.170 0.001 0.000 0.289 388 I C -0.844 175.310 176.117 0.062 0.000 1.115 388 I CA -0.223 61.099 61.300 0.036 0.000 1.045 388 I CB 2.226 40.157 38.000 -0.114 0.000 1.238 388 I HN 0.486 nan 8.210 nan 0.000 0.424 389 S N 6.530 122.257 115.700 0.045 0.000 2.546 389 S HA 0.641 5.112 4.470 0.001 0.000 0.272 389 S C -0.732 173.888 174.600 0.034 0.000 1.140 389 S CA -0.626 57.608 58.200 0.057 0.000 0.920 389 S CB 1.151 64.394 63.200 0.073 0.000 1.083 389 S HN 0.484 nan 8.310 nan 0.000 0.476 390 L N 3.388 124.632 121.223 0.036 0.000 2.483 390 L HA 0.283 4.624 4.340 0.001 0.000 0.275 390 L C 0.935 177.820 176.870 0.026 0.000 1.220 390 L CA -0.292 54.564 54.840 0.027 0.000 0.833 390 L CB 0.203 42.279 42.059 0.029 0.000 1.102 390 L HN 0.679 nan 8.230 nan 0.000 0.490 391 K N 1.936 122.349 120.400 0.020 0.000 2.524 391 K HA -0.110 4.211 4.320 0.001 0.000 0.279 391 K C 0.043 176.643 176.600 0.001 0.000 0.993 391 K CA 0.166 56.459 56.287 0.009 0.000 1.030 391 K CB 0.178 32.678 32.500 0.001 0.000 0.891 391 K HN 0.626 nan 8.250 nan 0.000 0.488 392 D N 1.563 121.954 120.400 -0.016 0.000 2.837 392 D HA -0.170 4.471 4.640 0.001 0.000 0.230 392 D C -0.339 175.966 176.300 0.009 0.000 1.152 392 D CA 1.412 55.401 54.000 -0.018 0.000 0.736 392 D CB -1.263 39.526 40.800 -0.017 0.000 1.084 392 D HN 0.670 nan 8.370 nan 0.000 0.429 393 S N -1.055 114.656 115.700 0.019 0.000 2.573 393 S HA 0.065 4.536 4.470 0.001 0.000 0.277 393 S C 1.201 175.827 174.600 0.044 0.000 1.346 393 S CA -0.352 57.879 58.200 0.051 0.000 1.034 393 S CB 1.011 64.246 63.200 0.059 0.000 0.879 393 S HN 0.267 nan 8.310 nan 0.000 0.528 394 Y N 1.102 121.381 120.300 -0.035 0.000 2.224 394 Y HA -0.132 4.418 4.550 0.001 0.000 0.289 394 Y C 2.637 178.486 175.900 -0.086 0.000 1.146 394 Y CA 1.728 59.788 58.100 -0.067 0.000 1.182 394 Y CB -0.607 37.781 38.460 -0.120 0.000 0.983 394 Y HN 0.857 nan 8.280 nan 0.000 0.524 395 C N -0.164 119.154 119.300 0.029 0.000 2.467 395 C HA -0.085 4.376 4.460 0.001 0.000 0.279 395 C C 3.054 177.969 174.990 -0.125 0.000 1.347 395 C CA 1.317 60.309 59.018 -0.043 0.000 1.748 395 C CB -1.574 26.211 27.740 0.075 0.000 1.977 395 C HN 0.798 nan 8.230 nan 0.000 0.501 396 S N 0.460 116.109 115.700 -0.085 0.000 2.382 396 S HA -0.185 4.286 4.470 0.001 0.000 0.228 396 S C 1.394 175.886 174.600 -0.179 0.000 1.027 396 S CA 1.927 60.060 58.200 -0.111 0.000 0.991 396 S CB -0.508 62.659 63.200 -0.055 0.000 0.823 396 S HN 0.608 nan 8.310 nan 0.000 0.469 397 D N 1.805 122.075 120.400 -0.216 0.000 2.117 397 D HA 0.041 4.682 4.640 0.001 0.000 0.198 397 D C 2.075 178.198 176.300 -0.295 0.000 0.982 397 D CA 0.938 54.784 54.000 -0.258 0.000 0.828 397 D CB -0.411 40.204 40.800 -0.308 0.000 0.967 397 D HN 0.359 nan 8.370 nan 0.000 0.464 398 L N 0.620 121.625 121.223 -0.363 0.000 2.013 398 L HA -0.196 4.145 4.340 0.001 0.000 0.212 398 L C 2.601 179.293 176.870 -0.297 0.000 1.073 398 L CA 0.911 55.566 54.840 -0.309 0.000 0.753 398 L CB -0.537 41.353 42.059 -0.282 0.000 0.890 398 L HN -0.033 nan 8.230 nan 0.000 0.432 399 V N -0.007 119.699 119.914 -0.346 0.000 2.261 399 V HA -0.308 3.813 4.120 0.001 0.000 0.246 399 V C 2.418 178.317 176.094 -0.325 0.000 1.047 399 V CA 1.617 63.649 62.300 -0.447 0.000 1.015 399 V CB -0.435 31.031 31.823 -0.595 0.000 0.642 399 V HN 0.306 nan 8.190 nan 0.000 0.446 400 I N 0.749 121.171 120.570 -0.246 0.000 2.286 400 I HA -0.197 3.974 4.170 0.001 0.000 0.248 400 I C 2.306 178.333 176.117 -0.149 0.000 1.115 400 I CA 1.605 62.799 61.300 -0.177 0.000 1.392 400 I CB -1.313 36.598 38.000 -0.150 0.000 1.065 400 I HN 0.410 nan 8.210 nan 0.000 0.418 401 N N 0.734 119.334 118.700 -0.166 0.000 2.188 401 N HA -0.151 4.590 4.740 0.001 0.000 0.184 401 N C 1.827 177.261 175.510 -0.126 0.000 1.018 401 N CA 0.864 53.834 53.050 -0.134 0.000 0.858 401 N CB -0.250 38.152 38.487 -0.142 0.000 0.989 401 N HN 0.393 nan 8.380 nan 0.000 0.426 402 Q N 0.897 120.599 119.800 -0.164 0.000 2.077 402 Q HA -0.105 4.236 4.340 0.001 0.000 0.206 402 Q C 2.292 178.238 176.000 -0.090 0.000 0.989 402 Q CA 0.950 56.658 55.803 -0.157 0.000 0.853 402 Q CB -0.440 28.172 28.738 -0.209 0.000 0.907 402 Q HN 0.481 nan 8.270 nan 0.000 0.418 403 I N 0.769 121.301 120.570 -0.063 0.000 2.127 403 I HA -0.324 3.847 4.170 0.001 0.000 0.241 403 I C 2.410 178.625 176.117 0.164 0.000 1.075 403 I CA 1.431 62.778 61.300 0.079 0.000 1.334 403 I CB -0.363 37.656 38.000 0.032 0.000 1.040 403 I HN 0.195 nan 8.210 nan 0.000 0.405 404 K N 0.497 120.924 120.400 0.045 0.000 2.057 404 K HA -0.156 4.165 4.320 0.001 0.000 0.207 404 K C 1.956 178.584 176.600 0.048 0.000 1.049 404 K CA 1.395 57.707 56.287 0.043 0.000 0.931 404 K CB -0.251 32.237 32.500 -0.020 0.000 0.714 404 K HN 0.311 nan 8.250 nan 0.000 0.440 405 N N 1.073 119.765 118.700 -0.013 0.000 2.058 405 N HA -0.120 4.621 4.740 0.001 0.000 0.191 405 N C 1.768 177.238 175.510 -0.067 0.000 1.037 405 N CA 1.252 54.268 53.050 -0.055 0.000 0.848 405 N CB -0.234 38.188 38.487 -0.108 0.000 1.021 405 N HN 0.149 nan 8.380 nan 0.000 0.422 406 R N -0.430 120.022 120.500 -0.080 0.000 2.105 406 R HA -0.090 4.251 4.340 0.001 0.000 0.239 406 R C 1.932 178.263 176.300 0.050 0.000 1.135 406 R CA 1.099 57.177 56.100 -0.037 0.000 0.967 406 R CB -0.353 29.971 30.300 0.040 0.000 0.861 406 R HN 0.333 nan 8.270 nan 0.000 0.442 407 Y N 0.623 120.943 120.300 0.034 0.000 2.263 407 Y HA -0.122 4.429 4.550 0.001 0.000 0.292 407 Y C 2.370 178.262 175.900 -0.013 0.000 1.130 407 Y CA 1.251 59.348 58.100 -0.005 0.000 1.179 407 Y CB 0.024 38.469 38.460 -0.024 0.000 0.998 407 Y HN -0.053 nan 8.280 nan 0.000 0.532 408 K N 0.438 120.913 120.400 0.126 0.000 2.097 408 K HA -0.162 4.159 4.320 0.001 0.000 0.206 408 K C 1.816 178.448 176.600 0.053 0.000 1.049 408 K CA 1.497 57.825 56.287 0.068 0.000 0.933 408 K CB -0.307 32.212 32.500 0.032 0.000 0.717 408 K HN 0.275 nan 8.250 nan 0.000 0.442 409 I N 0.953 121.556 120.570 0.055 0.000 2.179 409 I HA -0.284 3.886 4.170 0.001 0.000 0.242 409 I C 2.327 178.504 176.117 0.100 0.000 1.088 409 I CA 0.696 62.044 61.300 0.081 0.000 1.357 409 I CB -0.259 37.817 38.000 0.126 0.000 1.051 409 I HN 0.224 nan 8.210 nan 0.000 0.409 410 L N 1.075 122.339 121.223 0.068 0.000 1.994 410 L HA -0.220 4.121 4.340 0.001 0.000 0.208 410 L C 2.196 179.056 176.870 -0.017 0.000 1.071 410 L CA 2.022 56.855 54.840 -0.012 0.000 0.745 410 L CB -0.860 41.017 42.059 -0.303 0.000 0.892 410 L HN 0.174 nan 8.230 nan 0.000 0.431 411 N N 0.200 118.891 118.700 -0.015 0.000 2.084 411 N HA -0.193 4.548 4.740 0.001 0.000 0.190 411 N C 1.568 177.090 175.510 0.020 0.000 1.030 411 N CA 1.668 54.717 53.050 -0.000 0.000 0.849 411 N CB -0.601 37.915 38.487 0.048 0.000 1.012 411 N HN 0.447 nan 8.380 nan 0.000 0.423 412 D N 0.529 120.954 120.400 0.041 0.000 2.182 412 D HA -0.073 4.568 4.640 0.001 0.000 0.201 412 D C 1.277 177.613 176.300 0.060 0.000 0.986 412 D CA 0.851 54.876 54.000 0.042 0.000 0.847 412 D CB -0.205 40.617 40.800 0.038 0.000 0.942 412 D HN 0.347 nan 8.370 nan 0.000 0.467 413 N N -0.214 118.549 118.700 0.106 0.000 2.415 413 N HA -0.022 4.719 4.740 0.001 0.000 0.174 413 N C 1.738 177.378 175.510 0.216 0.000 1.048 413 N CA -0.001 53.152 53.050 0.171 0.000 0.895 413 N CB 0.398 39.017 38.487 0.219 0.000 1.036 413 N HN 0.137 nan 8.380 nan 0.000 0.449 414 L N 1.703 122.976 121.223 0.083 0.000 2.209 414 L HA 0.098 4.439 4.340 0.001 0.000 0.207 414 L C 1.429 178.236 176.870 -0.105 0.000 1.094 414 L CA 1.407 56.120 54.840 -0.212 0.000 0.790 414 L CB -0.543 41.193 42.059 -0.538 0.000 0.932 414 L HN 0.029 nan 8.230 nan 0.000 0.447 415 N N 0.193 118.872 118.700 -0.036 0.000 2.080 415 N HA -0.119 4.622 4.740 0.001 0.000 0.189 415 N C -1.099 174.414 175.510 0.006 0.000 1.036 415 N CA 1.556 54.599 53.050 -0.012 0.000 0.846 415 N CB -1.032 37.455 38.487 -0.000 0.000 1.015 415 N HN 0.330 nan 8.380 nan 0.000 0.423 416 P HA -0.105 nan 4.420 nan 0.000 0.215 416 P C 1.072 178.391 177.300 0.032 0.000 1.157 416 P CA 1.448 64.564 63.100 0.026 0.000 0.874 416 P CB -0.003 31.717 31.700 0.033 0.000 0.790 417 S N 0.103 115.829 115.700 0.044 0.000 2.359 417 S HA -0.157 4.314 4.470 0.001 0.000 0.223 417 S C 2.070 176.687 174.600 0.029 0.000 1.039 417 S CA 1.304 59.532 58.200 0.047 0.000 1.042 417 S CB -1.105 62.147 63.200 0.087 0.000 0.915 417 S HN 0.139 nan 8.310 nan 0.000 0.439 418 I N 1.661 122.244 120.570 0.023 0.000 2.226 418 I HA -0.207 3.964 4.170 0.001 0.000 0.245 418 I C 1.895 178.058 176.117 0.076 0.000 1.100 418 I CA 1.158 62.505 61.300 0.077 0.000 1.374 418 I CB -0.542 37.502 38.000 0.073 0.000 1.057 418 I HN 0.260 nan 8.210 nan 0.000 0.413 419 N N 0.749 119.474 118.700 0.043 0.000 2.309 419 N HA -0.133 4.607 4.740 0.001 0.000 0.182 419 N C 0.074 175.606 175.510 0.036 0.000 1.018 419 N CA 0.791 53.862 53.050 0.034 0.000 0.876 419 N CB 0.010 38.510 38.487 0.020 0.000 0.972 419 N HN 0.439 nan 8.380 nan 0.000 0.434 420 E N -0.197 120.024 120.200 0.035 0.000 2.597 420 E HA 0.475 4.826 4.350 0.001 0.000 0.235 420 E C -0.410 176.209 176.600 0.031 0.000 1.155 420 E CA -0.585 55.833 56.400 0.030 0.000 1.199 420 E CB 0.817 30.529 29.700 0.021 0.000 1.409 420 E HN 0.108 nan 8.360 nan 0.000 0.453 421 G N 0.241 109.071 108.800 0.051 0.000 2.684 421 G HA2 0.115 4.076 3.960 0.001 0.000 0.289 421 G HA3 0.115 4.076 3.960 0.001 0.000 0.289 421 G C 0.213 175.165 174.900 0.085 0.000 1.416 421 G CA -0.504 44.625 45.100 0.049 0.000 1.235 421 G HN 0.121 nan 8.290 nan 0.000 0.576 422 T N 0.412 115.004 114.554 0.063 0.000 2.857 422 T HA 0.036 4.387 4.350 0.001 0.000 0.266 422 T C 0.829 175.603 174.700 0.124 0.000 1.048 422 T CA 2.133 64.280 62.100 0.078 0.000 1.139 422 T CB -0.302 68.596 68.868 0.050 0.000 0.874 422 T HN 0.774 nan 8.240 nan 0.000 0.455 423 D N -2.003 118.468 120.400 0.118 0.000 2.895 423 D HA 0.097 4.738 4.640 0.001 0.000 0.320 423 D C 0.694 177.004 176.300 0.016 0.000 1.249 423 D CA -0.686 53.420 54.000 0.176 0.000 0.997 423 D CB 0.056 40.935 40.800 0.131 0.000 1.430 423 D HN 0.055 nan 8.370 nan 0.000 0.558 424 F N 1.466 121.283 119.950 -0.223 0.000 2.069 424 F HA -0.162 4.366 4.527 0.001 0.000 0.298 424 F C 1.900 177.477 175.800 -0.371 0.000 1.113 424 F CA 1.977 59.599 58.000 -0.631 0.000 1.214 424 F CB -0.502 38.280 39.000 -0.364 0.000 0.978 424 F HN 0.199 nan 8.300 nan 0.000 0.474 425 N N 0.133 118.686 118.700 -0.246 0.000 2.058 425 N HA -0.189 4.552 4.740 0.001 0.000 0.191 425 N C 1.997 177.354 175.510 -0.254 0.000 1.037 425 N CA 2.615 55.496 53.050 -0.281 0.000 0.848 425 N CB -1.221 37.223 38.487 -0.072 0.000 1.021 425 N HN 0.500 nan 8.380 nan 0.000 0.422 426 T N -0.782 113.680 114.554 -0.153 0.000 2.699 426 T HA -0.137 4.214 4.350 0.001 0.000 0.268 426 T C 1.996 176.611 174.700 -0.142 0.000 1.036 426 T CA 2.013 64.046 62.100 -0.111 0.000 1.147 426 T CB -1.074 67.762 68.868 -0.053 0.000 0.862 426 T HN 0.130 nan 8.240 nan 0.000 0.446 427 T N 2.239 116.671 114.554 -0.204 0.000 2.720 427 T HA -0.014 4.337 4.350 0.001 0.000 0.268 427 T C 2.057 176.634 174.700 -0.204 0.000 1.037 427 T CA 1.413 63.398 62.100 -0.192 0.000 1.144 427 T CB -0.367 68.334 68.868 -0.278 0.000 0.864 427 T HN 0.184 nan 8.240 nan 0.000 0.444 428 M N 1.072 120.427 119.600 -0.409 0.000 2.149 428 M HA -0.040 4.440 4.480 0.001 0.000 0.261 428 M C 2.072 178.293 176.300 -0.131 0.000 1.064 428 M CA 1.634 56.733 55.300 -0.335 0.000 1.102 428 M CB -0.766 31.420 32.600 -0.690 0.000 1.369 428 M HN 0.274 nan 8.290 nan 0.000 0.408 429 K N -0.285 120.030 120.400 -0.142 0.000 2.116 429 K HA 0.051 4.372 4.320 0.001 0.000 0.203 429 K C 1.956 178.525 176.600 -0.052 0.000 1.052 429 K CA 0.794 57.026 56.287 -0.092 0.000 0.952 429 K CB 0.023 32.470 32.500 -0.088 0.000 0.729 429 K HN 0.249 nan 8.250 nan 0.000 0.446 430 I N 0.497 121.051 120.570 -0.027 0.000 2.202 430 I HA -0.261 3.910 4.170 0.001 0.000 0.242 430 I C 2.213 178.369 176.117 0.064 0.000 1.091 430 I CA 0.991 62.296 61.300 0.009 0.000 1.368 430 I CB -0.213 37.795 38.000 0.014 0.000 1.058 430 I HN 0.060 nan 8.210 nan 0.000 0.410 431 F N 1.217 121.112 119.950 -0.091 0.000 2.095 431 F HA -0.275 4.253 4.527 0.001 0.000 0.298 431 F C 2.791 178.546 175.800 -0.074 0.000 1.104 431 F CA 1.859 59.812 58.000 -0.078 0.000 1.232 431 F CB -0.708 38.239 39.000 -0.090 0.000 0.987 431 F HN -0.035 nan 8.300 nan 0.000 0.475 432 S N -0.192 115.392 115.700 -0.195 0.000 2.368 432 S HA -0.168 4.303 4.470 0.001 0.000 0.224 432 S C 1.800 176.278 174.600 -0.204 0.000 1.029 432 S CA 1.527 59.552 58.200 -0.292 0.000 0.988 432 S CB -0.559 62.532 63.200 -0.183 0.000 0.838 432 S HN 0.470 nan 8.310 nan 0.000 0.462 433 D N 1.224 121.552 120.400 -0.119 0.000 2.117 433 D HA -0.078 4.563 4.640 0.001 0.000 0.197 433 D C 1.996 178.244 176.300 -0.086 0.000 0.987 433 D CA 1.046 54.995 54.000 -0.086 0.000 0.829 433 D CB -0.257 40.511 40.800 -0.053 0.000 0.961 433 D HN 0.472 nan 8.370 nan 0.000 0.460 434 K N 0.270 120.622 120.400 -0.081 0.000 2.097 434 K HA -0.032 4.289 4.320 0.001 0.000 0.206 434 K C 2.325 178.865 176.600 -0.101 0.000 1.049 434 K CA 0.511 56.763 56.287 -0.059 0.000 0.933 434 K CB -0.047 32.455 32.500 0.003 0.000 0.717 434 K HN 0.154 nan 8.250 nan 0.000 0.442 435 L N 0.387 121.485 121.223 -0.208 0.000 2.027 435 L HA -0.155 4.186 4.340 0.001 0.000 0.206 435 L C 2.636 179.424 176.870 -0.137 0.000 1.074 435 L CA 1.134 55.843 54.840 -0.219 0.000 0.745 435 L CB -0.762 41.057 42.059 -0.401 0.000 0.898 435 L HN 0.208 nan 8.230 nan 0.000 0.433 436 A N 0.050 122.788 122.820 -0.137 0.000 1.917 436 A HA -0.231 4.090 4.320 0.001 0.000 0.219 436 A C 2.486 180.033 177.584 -0.061 0.000 1.182 436 A CA 2.318 54.300 52.037 -0.091 0.000 0.633 436 A CB -0.661 18.288 19.000 -0.086 0.000 0.819 436 A HN 0.456 nan 8.150 nan 0.000 0.448 437 S N -0.349 115.317 115.700 -0.057 0.000 2.399 437 S HA -0.028 4.443 4.470 0.001 0.000 0.231 437 S C 1.307 175.889 174.600 -0.029 0.000 1.022 437 S CA 1.417 59.595 58.200 -0.038 0.000 0.983 437 S CB -0.333 62.847 63.200 -0.033 0.000 0.803 437 S HN 0.592 nan 8.310 nan 0.000 0.480 438 I N 1.851 122.403 120.570 -0.030 0.000 3.914 438 I HA 0.139 4.310 4.170 0.001 0.000 0.333 438 I C 0.298 176.406 176.117 -0.016 0.000 1.449 438 I CA -0.269 61.019 61.300 -0.019 0.000 1.135 438 I CB -0.125 37.868 38.000 -0.012 0.000 1.073 438 I HN 0.130 nan 8.210 nan 0.000 0.401 439 S N 1.658 117.344 115.700 -0.022 0.000 2.586 439 S HA 0.640 5.111 4.470 0.001 0.000 0.274 439 S C -0.275 174.319 174.600 -0.011 0.000 1.281 439 S CA -0.546 57.645 58.200 -0.014 0.000 1.035 439 S CB 1.563 64.747 63.200 -0.027 0.000 0.962 439 S HN 0.514 nan 8.310 nan 0.000 0.512 440 N N -0.532 118.166 118.700 -0.003 0.000 3.277 440 N HA 0.233 4.974 4.740 0.001 0.000 0.278 440 N C 0.177 175.690 175.510 0.004 0.000 1.544 440 N CA -0.892 52.157 53.050 -0.003 0.000 0.869 440 N CB 0.381 38.865 38.487 -0.005 0.000 1.584 440 N HN 0.612 nan 8.380 nan 0.000 0.564 441 E N -0.613 119.590 120.200 0.005 0.000 2.153 441 E HA -0.248 4.103 4.350 0.001 0.000 0.194 441 E C 0.122 176.731 176.600 0.016 0.000 0.988 441 E CA 1.516 57.922 56.400 0.010 0.000 0.811 441 E CB -0.085 29.621 29.700 0.010 0.000 0.746 441 E HN 0.635 nan 8.360 nan 0.000 0.466 442 D N 0.164 120.570 120.400 0.011 0.000 2.149 442 D HA -0.125 4.516 4.640 0.001 0.000 0.201 442 D C 1.238 177.543 176.300 0.008 0.000 0.972 442 D CA 1.349 55.355 54.000 0.009 0.000 0.835 442 D CB 0.075 40.874 40.800 -0.002 0.000 0.966 442 D HN 0.266 nan 8.370 nan 0.000 0.476 443 N N -0.779 117.929 118.700 0.014 0.000 2.204 443 N HA 0.025 4.766 4.740 0.001 0.000 0.219 443 N C 1.045 176.612 175.510 0.095 0.000 1.151 443 N CA -0.058 53.017 53.050 0.041 0.000 0.867 443 N CB -0.065 38.431 38.487 0.015 0.000 1.043 443 N HN 0.039 nan 8.380 nan 0.000 0.516 444 M N 0.337 119.970 119.600 0.055 0.000 2.099 444 M HA 0.130 4.611 4.480 0.001 0.000 0.262 444 M C 1.640 177.964 176.300 0.040 0.000 1.067 444 M CA 1.473 56.795 55.300 0.036 0.000 1.124 444 M CB -0.281 32.328 32.600 0.014 0.000 1.353 444 M HN 0.092 nan 8.290 nan 0.000 0.410 445 M N -0.891 118.743 119.600 0.056 0.000 2.065 445 M HA -0.183 4.298 4.480 0.001 0.000 0.259 445 M C 2.285 178.619 176.300 0.057 0.000 1.069 445 M CA 1.748 57.077 55.300 0.048 0.000 1.110 445 M CB -1.556 31.078 32.600 0.055 0.000 1.328 445 M HN 0.415 nan 8.290 nan 0.000 0.405 446 F N 1.613 121.541 119.950 -0.036 0.000 2.043 446 F HA -0.333 4.194 4.527 0.001 0.000 0.297 446 F C 2.231 177.994 175.800 -0.060 0.000 1.118 446 F CA 1.896 59.868 58.000 -0.047 0.000 1.202 446 F CB -0.286 38.681 39.000 -0.054 0.000 0.965 446 F HN 0.056 nan 8.300 nan 0.000 0.482 447 M N 0.298 119.904 119.600 0.010 0.000 2.082 447 M HA -0.244 4.236 4.480 0.001 0.000 0.258 447 M C 2.407 178.578 176.300 -0.215 0.000 1.069 447 M CA 1.770 56.988 55.300 -0.136 0.000 1.102 447 M CB -1.573 31.003 32.600 -0.039 0.000 1.336 447 M HN 0.314 nan 8.290 nan 0.000 0.404 448 I N -0.043 120.447 120.570 -0.132 0.000 2.226 448 I HA -0.311 3.860 4.170 0.001 0.000 0.245 448 I C 2.286 178.324 176.117 -0.131 0.000 1.100 448 I CA 1.432 62.663 61.300 -0.116 0.000 1.374 448 I CB -0.297 37.666 38.000 -0.061 0.000 1.057 448 I HN 0.313 nan 8.210 nan 0.000 0.413 449 K N 0.538 120.842 120.400 -0.160 0.000 2.288 449 K HA -0.035 4.286 4.320 0.001 0.000 0.201 449 K C 1.805 178.298 176.600 -0.179 0.000 1.048 449 K CA 1.093 57.294 56.287 -0.143 0.000 0.956 449 K CB -0.059 32.370 32.500 -0.117 0.000 0.746 449 K HN 0.482 nan 8.250 nan 0.000 0.461 450 I N -2.968 117.414 120.570 -0.314 0.000 3.728 450 I HA 0.051 4.222 4.170 0.001 0.000 0.307 450 I C 1.422 177.545 176.117 0.011 0.000 1.276 450 I CA 0.408 61.575 61.300 -0.222 0.000 1.285 450 I CB -0.009 37.698 38.000 -0.489 0.000 1.038 450 I HN -0.184 nan 8.210 nan 0.000 0.445 451 T N 1.944 116.445 114.554 -0.087 0.000 2.778 451 T HA -0.100 4.251 4.350 0.001 0.000 0.269 451 T C 1.344 176.164 174.700 0.200 0.000 1.050 451 T CA 1.662 63.721 62.100 -0.069 0.000 1.137 451 T CB -0.406 68.365 68.868 -0.161 0.000 0.860 451 T HN 0.465 nan 8.240 nan 0.000 0.468 452 N N 0.282 119.077 118.700 0.159 0.000 2.295 452 N HA 0.107 4.848 4.740 0.001 0.000 0.221 452 N C 0.805 176.450 175.510 0.226 0.000 1.129 452 N CA -0.124 53.042 53.050 0.193 0.000 0.836 452 N CB -0.060 38.502 38.487 0.125 0.000 1.040 452 N HN 0.427 nan 8.380 nan 0.000 0.494 453 Y N 1.990 122.362 120.300 0.121 0.000 2.096 453 Y HA -0.256 4.295 4.550 0.001 0.000 0.278 453 Y C 1.857 177.805 175.900 0.079 0.000 1.192 453 Y CA 1.743 59.874 58.100 0.052 0.000 1.143 453 Y CB -0.293 38.166 38.460 -0.001 0.000 0.963 453 Y HN 0.079 nan 8.280 nan 0.000 0.505 454 L N -0.189 121.133 121.223 0.166 0.000 2.353 454 L HA -0.212 4.128 4.340 0.001 0.000 0.220 454 L C 2.045 179.070 176.870 0.259 0.000 1.133 454 L CA 1.446 56.397 54.840 0.186 0.000 0.798 454 L CB -0.500 41.753 42.059 0.324 0.000 0.922 454 L HN 0.206 nan 8.230 nan 0.000 0.445 455 K N -0.333 120.210 120.400 0.237 0.000 2.379 455 K HA 0.111 4.432 4.320 0.001 0.000 0.194 455 K C 0.517 177.202 176.600 0.142 0.000 1.031 455 K CA -0.125 56.305 56.287 0.238 0.000 1.037 455 K CB 0.405 33.025 32.500 0.200 0.000 0.824 455 K HN -0.003 nan 8.250 nan 0.000 0.516 456 V N 2.251 122.150 119.914 -0.024 0.000 2.611 456 V HA -0.120 4.001 4.120 0.001 0.000 0.296 456 V C 1.308 177.171 176.094 -0.384 0.000 1.006 456 V CA 1.608 63.806 62.300 -0.171 0.000 1.194 456 V CB -0.644 31.028 31.823 -0.251 0.000 0.871 456 V HN 0.785 nan 8.190 nan 0.000 0.470 457 G N 4.573 113.200 108.800 -0.290 0.000 2.157 457 G HA2 -0.282 3.678 3.960 0.001 0.000 0.248 457 G HA3 -0.282 3.678 3.960 0.001 0.000 0.248 457 G C 0.096 174.713 174.900 -0.472 0.000 0.979 457 G CA 0.307 45.169 45.100 -0.396 0.000 0.650 457 G HN 0.683 nan 8.290 nan 0.000 0.529 458 F N 0.607 120.580 119.950 0.039 0.000 2.746 458 F HA 0.723 5.251 4.527 0.001 0.000 0.320 458 F C 1.021 176.902 175.800 0.134 0.000 1.097 458 F CA -0.131 57.904 58.000 0.059 0.000 1.195 458 F CB 0.915 39.908 39.000 -0.012 0.000 1.056 458 F HN 0.662 nan 8.300 nan 0.000 0.562 459 A N 0.601 123.567 122.820 0.244 0.000 2.540 459 A HA 0.707 5.028 4.320 0.001 0.000 0.297 459 A C -2.863 174.767 177.584 0.077 0.000 1.056 459 A CA -1.245 50.906 52.037 0.191 0.000 0.700 459 A CB 1.068 20.160 19.000 0.154 0.000 1.280 459 A HN -0.140 nan 8.150 nan 0.000 0.398 460 P HA 0.570 nan 4.420 nan 0.000 0.279 460 P C -0.516 176.784 177.300 0.001 0.000 1.276 460 P CA 0.356 63.458 63.100 0.004 0.000 0.801 460 P CB 0.620 32.310 31.700 -0.016 0.000 1.127 461 D N -3.335 117.067 120.400 0.004 0.000 2.653 461 D HA -0.126 4.514 4.640 0.001 0.000 0.184 461 D C -0.068 176.240 176.300 0.014 0.000 0.993 461 D CA 0.711 54.716 54.000 0.009 0.000 1.027 461 D CB -1.771 39.035 40.800 0.011 0.000 1.089 461 D HN 0.113 nan 8.370 nan 0.000 0.447 462 V N 1.363 121.288 119.914 0.017 0.000 2.599 462 V HA 0.052 4.173 4.120 0.001 0.000 0.300 462 V C 1.402 177.502 176.094 0.010 0.000 1.034 462 V CA 0.814 63.126 62.300 0.020 0.000 1.115 462 V CB 1.237 33.074 31.823 0.023 0.000 0.934 462 V HN 0.063 nan 8.190 nan 0.000 0.485 463 R N 2.568 123.074 120.500 0.010 0.000 2.659 463 R HA 0.237 4.578 4.340 0.001 0.000 0.418 463 R C 1.489 177.788 176.300 -0.002 0.000 1.076 463 R CA -0.090 56.013 56.100 0.004 0.000 1.093 463 R CB 0.494 30.796 30.300 0.003 0.000 1.400 463 R HN 0.705 nan 8.270 nan 0.000 0.583 464 S N -0.157 115.549 115.700 0.011 0.000 2.402 464 S HA -0.089 4.382 4.470 0.001 0.000 0.229 464 S C 1.585 176.199 174.600 0.023 0.000 1.021 464 S CA 1.634 59.845 58.200 0.018 0.000 0.974 464 S CB 0.159 63.438 63.200 0.132 0.000 0.800 464 S HN 0.286 nan 8.310 nan 0.000 0.484 465 T N 2.726 117.303 114.554 0.039 0.000 2.812 465 T HA 0.082 4.433 4.350 0.001 0.000 0.264 465 T C 1.669 176.402 174.700 0.055 0.000 1.042 465 T CA 0.648 62.783 62.100 0.057 0.000 1.140 465 T CB -0.243 68.647 68.868 0.037 0.000 0.870 465 T HN 0.225 nan 8.240 nan 0.000 0.445 466 I N 2.388 122.981 120.570 0.039 0.000 2.502 466 I HA -0.125 4.045 4.170 0.001 0.000 0.258 466 I C 1.648 177.797 176.117 0.055 0.000 1.172 466 I CA 1.300 62.627 61.300 0.045 0.000 1.430 466 I CB -0.888 37.130 38.000 0.031 0.000 1.086 466 I HN 0.298 nan 8.210 nan 0.000 0.440 467 N N -0.579 118.144 118.700 0.040 0.000 2.197 467 N HA 0.179 4.920 4.740 0.001 0.000 0.201 467 N C 1.696 177.266 175.510 0.100 0.000 1.148 467 N CA 0.226 53.313 53.050 0.062 0.000 0.883 467 N CB 1.289 39.771 38.487 -0.009 0.000 1.012 467 N HN 0.314 nan 8.380 nan 0.000 0.507 468 L N -0.475 120.770 121.223 0.037 0.000 2.547 468 L HA 0.155 4.495 4.340 0.001 0.000 0.218 468 L C 1.358 178.301 176.870 0.122 0.000 1.048 468 L CA 0.563 55.387 54.840 -0.027 0.000 0.859 468 L CB 0.354 42.242 42.059 -0.285 0.000 1.128 468 L HN 0.041 nan 8.230 nan 0.000 0.483 469 S N -2.124 113.663 115.700 0.145 0.000 2.733 469 S HA 0.296 4.767 4.470 0.001 0.000 0.270 469 S C 0.696 175.383 174.600 0.146 0.000 1.062 469 S CA 0.133 58.428 58.200 0.159 0.000 1.256 469 S CB 0.388 63.717 63.200 0.215 0.000 1.187 469 S HN 0.167 nan 8.310 nan 0.000 0.666 470 G N 2.200 111.082 108.800 0.138 0.000 2.849 470 G HA2 0.541 4.502 3.960 0.001 0.000 0.174 470 G HA3 0.541 4.502 3.960 0.001 0.000 0.174 470 G C -2.002 173.027 174.900 0.215 0.000 1.370 470 G CA -1.355 43.838 45.100 0.156 0.000 1.040 470 G HN 0.095 nan 8.290 nan 0.000 0.582 471 P HA -0.082 nan 4.420 nan 0.000 0.216 471 P C 1.951 179.323 177.300 0.120 0.000 1.150 471 P CA 1.920 65.083 63.100 0.104 0.000 0.843 471 P CB -0.061 31.644 31.700 0.009 0.000 0.787 472 G N -0.637 108.210 108.800 0.078 0.000 2.422 472 G HA2 -0.216 3.745 3.960 0.001 0.000 0.218 472 G HA3 -0.216 3.745 3.960 0.001 0.000 0.218 472 G C 1.677 176.569 174.900 -0.012 0.000 1.140 472 G CA 0.361 45.485 45.100 0.041 0.000 0.775 472 G HN 0.166 nan 8.290 nan 0.000 0.545 473 V N -0.118 119.782 119.914 -0.023 0.000 2.332 473 V HA -0.233 3.888 4.120 0.001 0.000 0.248 473 V C 2.430 178.296 176.094 -0.380 0.000 1.055 473 V CA 1.785 63.974 62.300 -0.184 0.000 1.038 473 V CB -0.521 31.181 31.823 -0.202 0.000 0.651 473 V HN 0.501 nan 8.190 nan 0.000 0.450 474 Y N 0.791 120.929 120.300 -0.269 0.000 2.184 474 Y HA -0.193 4.358 4.550 0.001 0.000 0.290 474 Y C 2.918 178.385 175.900 -0.722 0.000 1.129 474 Y CA 1.812 59.600 58.100 -0.520 0.000 1.144 474 Y CB -1.134 37.104 38.460 -0.370 0.000 0.995 474 Y HN 0.435 nan 8.280 nan 0.000 0.513 475 T N -2.777 111.692 114.554 -0.141 0.000 2.833 475 T HA -0.142 4.209 4.350 0.001 0.000 0.269 475 T C 2.253 176.871 174.700 -0.138 0.000 1.054 475 T CA 1.222 63.299 62.100 -0.039 0.000 1.135 475 T CB -1.104 67.785 68.868 0.035 0.000 0.869 475 T HN 0.389 nan 8.240 nan 0.000 0.466 476 G N 1.173 109.867 108.800 -0.176 0.000 2.422 476 G HA2 0.090 4.050 3.960 0.001 0.000 0.218 476 G HA3 0.090 4.050 3.960 0.001 0.000 0.218 476 G C 1.890 176.650 174.900 -0.233 0.000 1.146 476 G CA 0.761 45.753 45.100 -0.179 0.000 0.769 476 G HN 0.746 nan 8.290 nan 0.000 0.547 477 A N 0.195 122.794 122.820 -0.368 0.000 1.898 477 A HA 0.094 4.415 4.320 0.001 0.000 0.216 477 A C 2.220 179.591 177.584 -0.354 0.000 1.181 477 A CA 1.435 53.228 52.037 -0.406 0.000 0.620 477 A CB -0.576 18.085 19.000 -0.565 0.000 0.819 477 A HN 0.346 nan 8.150 nan 0.000 0.442 478 Y N -0.048 120.065 120.300 -0.312 0.000 2.128 478 Y HA -0.239 4.311 4.550 0.001 0.000 0.284 478 Y C 2.640 178.395 175.900 -0.242 0.000 1.154 478 Y CA 1.343 59.163 58.100 -0.467 0.000 1.149 478 Y CB -1.107 36.942 38.460 -0.684 0.000 0.976 478 Y HN 0.534 nan 8.280 nan 0.000 0.505 479 Q N 0.321 120.090 119.800 -0.053 0.000 2.124 479 Q HA -0.194 4.147 4.340 0.001 0.000 0.202 479 Q C 1.557 177.527 176.000 -0.051 0.000 0.977 479 Q CA 1.803 57.559 55.803 -0.079 0.000 0.850 479 Q CB -0.090 28.545 28.738 -0.171 0.000 0.901 479 Q HN 0.349 nan 8.270 nan 0.000 0.429 480 D N 0.485 120.848 120.400 -0.061 0.000 2.103 480 D HA -0.216 4.425 4.640 0.001 0.000 0.190 480 D C 1.868 178.189 176.300 0.035 0.000 0.997 480 D CA 1.286 55.280 54.000 -0.010 0.000 0.833 480 D CB -0.385 40.392 40.800 -0.039 0.000 0.961 480 D HN 0.254 nan 8.370 nan 0.000 0.447 481 L N 0.482 121.712 121.223 0.012 0.000 1.955 481 L HA -0.165 4.176 4.340 0.001 0.000 0.213 481 L C 2.360 179.185 176.870 -0.074 0.000 1.072 481 L CA 1.559 56.414 54.840 0.024 0.000 0.755 481 L CB -0.485 41.568 42.059 -0.011 0.000 0.888 481 L HN 0.052 nan 8.230 nan 0.000 0.432 482 L N -1.256 119.910 121.223 -0.094 0.000 2.141 482 L HA -0.152 4.189 4.340 0.001 0.000 0.209 482 L C 1.903 178.510 176.870 -0.438 0.000 1.094 482 L CA 0.720 55.444 54.840 -0.192 0.000 0.763 482 L CB -0.376 41.699 42.059 0.025 0.000 0.908 482 L HN 0.391 nan 8.230 nan 0.000 0.437 483 M N -1.308 118.146 119.600 -0.243 0.000 2.371 483 M HA 0.164 4.645 4.480 0.001 0.000 0.246 483 M C -0.113 176.210 176.300 0.039 0.000 1.103 483 M CA -0.066 55.186 55.300 -0.080 0.000 1.010 483 M CB -0.183 32.486 32.600 0.115 0.000 1.457 483 M HN 0.050 nan 8.290 nan 0.000 0.486 484 F N 0.558 120.597 119.950 0.149 0.000 3.030 484 F HA -0.265 4.263 4.527 0.001 0.000 0.309 484 F C 0.278 176.137 175.800 0.098 0.000 0.941 484 F CA 0.342 58.408 58.000 0.112 0.000 1.082 484 F CB -2.008 36.974 39.000 -0.030 0.000 1.113 484 F HN 0.050 nan 8.300 nan 0.000 0.716 485 K N -0.037 120.479 120.400 0.195 0.000 2.352 485 K HA 0.562 4.883 4.320 0.001 0.000 0.240 485 K C 0.390 177.050 176.600 0.100 0.000 1.017 485 K CA -0.681 55.682 56.287 0.128 0.000 0.851 485 K CB 1.511 34.060 32.500 0.082 0.000 1.261 485 K HN -0.081 nan 8.250 nan 0.000 0.451 486 D N 0.346 120.778 120.400 0.053 0.000 2.556 486 D HA 0.040 4.680 4.640 0.001 0.000 0.237 486 D C 0.064 176.343 176.300 -0.035 0.000 1.296 486 D CA 0.194 54.202 54.000 0.013 0.000 0.807 486 D CB 0.456 41.271 40.800 0.025 0.000 1.084 486 D HN 0.533 nan 8.370 nan 0.000 0.510 487 N N -1.169 117.508 118.700 -0.038 0.000 2.142 487 N HA -0.022 4.719 4.740 0.001 0.000 0.233 487 N C -0.410 175.049 175.510 -0.086 0.000 1.335 487 N CA -0.269 52.738 53.050 -0.072 0.000 0.837 487 N CB -0.113 38.340 38.487 -0.057 0.000 1.238 487 N HN -0.328 nan 8.380 nan 0.000 0.501 488 S N 0.485 116.142 115.700 -0.072 0.000 2.670 488 S HA 0.087 4.558 4.470 0.001 0.000 0.308 488 S C 0.430 174.967 174.600 -0.104 0.000 1.232 488 S CA 0.504 58.661 58.200 -0.071 0.000 1.126 488 S CB 0.205 63.359 63.200 -0.077 0.000 0.897 488 S HN 0.424 nan 8.310 nan 0.000 0.508 489 T N 1.842 116.345 114.554 -0.086 0.000 3.041 489 T HA 0.161 4.512 4.350 0.001 0.000 0.276 489 T C 0.070 174.753 174.700 -0.028 0.000 0.948 489 T CA -0.345 61.693 62.100 -0.105 0.000 0.885 489 T CB 0.085 68.834 68.868 -0.198 0.000 1.175 489 T HN 0.458 nan 8.240 nan 0.000 0.529 490 N N 1.552 120.251 118.700 -0.002 0.000 2.573 490 N HA 0.474 5.215 4.740 0.001 0.000 0.262 490 N C -1.447 174.087 175.510 0.040 0.000 1.029 490 N CA -0.418 52.653 53.050 0.035 0.000 0.882 490 N CB 0.443 38.963 38.487 0.055 0.000 1.204 490 N HN 0.127 nan 8.380 nan 0.000 0.519 491 I N 3.871 124.448 120.570 0.012 0.000 2.312 491 I HA 0.154 4.325 4.170 0.001 0.000 0.291 491 I C 1.464 177.577 176.117 -0.005 0.000 1.031 491 I CA -0.298 60.969 61.300 -0.054 0.000 1.293 491 I CB 0.795 38.766 38.000 -0.049 0.000 1.403 491 I HN 0.669 nan 8.210 nan 0.000 0.484 492 H N 6.088 125.187 119.070 0.048 0.000 2.705 492 H HA 0.321 4.877 4.556 0.001 0.000 0.269 492 H C 0.194 175.561 175.328 0.065 0.000 0.998 492 H CA -0.434 55.645 56.048 0.052 0.000 1.193 492 H CB 0.109 29.897 29.762 0.043 0.000 1.485 492 H HN 0.337 nan 8.280 nan 0.000 0.521 493 L N 2.601 123.757 121.223 -0.113 0.000 2.455 493 L HA 0.139 4.480 4.340 0.001 0.000 0.272 493 L C 0.120 177.048 176.870 0.096 0.000 1.174 493 L CA 0.018 54.880 54.840 0.037 0.000 0.869 493 L CB 0.822 42.891 42.059 0.016 0.000 1.130 493 L HN 0.101 nan 8.230 nan 0.000 0.474 494 L N 2.520 123.816 121.223 0.122 0.000 2.375 494 L HA 0.208 4.549 4.340 0.001 0.000 0.268 494 L C 1.549 178.501 176.870 0.136 0.000 1.058 494 L CA -0.440 54.471 54.840 0.119 0.000 0.803 494 L CB 1.230 43.351 42.059 0.102 0.000 1.212 494 L HN 0.703 nan 8.230 nan 0.000 0.451 495 E N 1.794 122.081 120.200 0.146 0.000 2.149 495 E HA -0.255 4.096 4.350 0.001 0.000 0.215 495 E C -0.876 175.785 176.600 0.102 0.000 1.055 495 E CA 2.295 58.797 56.400 0.171 0.000 0.870 495 E CB -0.678 29.104 29.700 0.136 0.000 0.764 495 E HN 0.566 nan 8.360 nan 0.000 0.463 496 P HA -0.143 nan 4.420 nan 0.000 0.216 496 P C 0.725 178.045 177.300 0.035 0.000 1.150 496 P CA 1.501 64.612 63.100 0.018 0.000 0.837 496 P CB -0.091 31.622 31.700 0.022 0.000 0.786 497 E N -0.404 119.846 120.200 0.082 0.000 2.047 497 E HA -0.110 4.241 4.350 0.001 0.000 0.191 497 E C 2.021 178.729 176.600 0.181 0.000 0.987 497 E CA 0.868 57.335 56.400 0.111 0.000 0.799 497 E CB -0.666 29.119 29.700 0.140 0.000 0.752 497 E HN 0.237 nan 8.360 nan 0.000 0.449 498 L N 0.649 122.016 121.223 0.239 0.000 2.191 498 L HA -0.125 4.216 4.340 0.001 0.000 0.212 498 L C 2.289 179.411 176.870 0.419 0.000 1.103 498 L CA 0.765 55.832 54.840 0.378 0.000 0.769 498 L CB -0.224 42.083 42.059 0.413 0.000 0.908 498 L HN 0.031 nan 8.230 nan 0.000 0.438 499 R N -0.023 120.560 120.500 0.138 0.000 2.323 499 R HA -0.012 4.329 4.340 0.001 0.000 0.198 499 R C 1.344 177.579 176.300 -0.108 0.000 0.988 499 R CA 0.138 56.175 56.100 -0.104 0.000 1.041 499 R CB -0.255 29.856 30.300 -0.316 0.000 0.926 499 R HN 0.483 nan 8.270 nan 0.000 0.476 500 N N 0.206 118.793 118.700 -0.188 0.000 2.459 500 N HA -0.090 4.651 4.740 0.001 0.000 0.181 500 N C 0.401 175.511 175.510 -0.666 0.000 1.046 500 N CA 1.037 53.800 53.050 -0.479 0.000 0.904 500 N CB 0.103 38.155 38.487 -0.724 0.000 0.964 500 N HN 0.193 nan 8.380 nan 0.000 0.444 501 F N 1.050 120.930 119.950 -0.117 0.000 2.647 501 F HA 0.187 4.715 4.527 0.001 0.000 0.300 501 F C 0.710 176.542 175.800 0.054 0.000 1.106 501 F CA -0.691 57.219 58.000 -0.149 0.000 1.313 501 F CB -0.080 38.543 39.000 -0.629 0.000 1.007 501 F HN -0.083 nan 8.300 nan 0.000 0.536 502 E N 0.773 121.121 120.200 0.247 0.000 2.338 502 E HA 0.070 4.421 4.350 0.001 0.000 0.272 502 E C -0.353 176.421 176.600 0.290 0.000 1.029 502 E CA -0.766 55.862 56.400 0.380 0.000 0.872 502 E CB 0.783 30.623 29.700 0.233 0.000 1.015 502 E HN 0.219 nan 8.360 nan 0.000 0.417 503 F N 4.591 124.663 119.950 0.204 0.000 2.629 503 F HA 0.024 4.552 4.527 0.001 0.000 0.377 503 F C -1.576 174.291 175.800 0.112 0.000 1.101 503 F CA -1.520 56.564 58.000 0.140 0.000 1.301 503 F CB 0.524 39.606 39.000 0.137 0.000 1.062 503 F HN 0.447 nan 8.300 nan 0.000 0.583 504 P HA -0.071 nan 4.420 nan 0.000 0.260 504 P C -0.216 177.287 177.300 0.338 0.000 1.185 504 P CA 0.025 63.232 63.100 0.177 0.000 0.763 504 P CB 1.043 32.767 31.700 0.040 0.000 0.776 505 K N 3.395 123.928 120.400 0.221 0.000 2.097 505 K HA -0.120 4.201 4.320 0.001 0.000 0.206 505 K C 1.864 178.572 176.600 0.179 0.000 1.049 505 K CA 2.275 58.679 56.287 0.195 0.000 0.933 505 K CB -1.212 31.363 32.500 0.124 0.000 0.717 505 K HN 0.556 nan 8.250 nan 0.000 0.442 506 T N -2.189 112.458 114.554 0.156 0.000 2.915 506 T HA -0.044 4.306 4.350 0.001 0.000 0.269 506 T C 1.440 176.233 174.700 0.155 0.000 1.071 506 T CA 0.945 63.126 62.100 0.134 0.000 1.132 506 T CB -0.116 68.813 68.868 0.101 0.000 0.878 506 T HN -0.037 nan 8.240 nan 0.000 0.479 507 K N 0.512 121.050 120.400 0.231 0.000 2.458 507 K HA 0.536 4.857 4.320 0.001 0.000 0.194 507 K C -0.069 176.753 176.600 0.370 0.000 1.024 507 K CA -0.091 56.367 56.287 0.285 0.000 1.108 507 K CB 0.072 32.762 32.500 0.316 0.000 0.846 507 K HN 0.585 nan 8.250 nan 0.000 0.518 508 I N -1.228 119.488 120.570 0.243 0.000 2.752 508 I HA 0.240 4.411 4.170 0.001 0.000 0.295 508 I C -1.495 174.659 176.117 0.062 0.000 1.219 508 I CA -0.596 60.782 61.300 0.131 0.000 1.030 508 I CB 2.173 40.102 38.000 -0.118 0.000 1.259 508 I HN -0.231 nan 8.210 nan 0.000 0.423 509 S N 4.878 120.596 115.700 0.030 0.000 2.566 509 S HA 0.413 4.884 4.470 0.001 0.000 0.324 509 S C 0.141 174.791 174.600 0.083 0.000 1.081 509 S CA -0.372 57.855 58.200 0.045 0.000 1.105 509 S CB 1.353 64.559 63.200 0.010 0.000 0.981 509 S HN 0.795 nan 8.310 nan 0.000 0.464 510 Q N 3.331 123.184 119.800 0.088 0.000 2.373 510 Q HA 0.312 4.653 4.340 0.001 0.000 0.210 510 Q C 0.183 176.256 176.000 0.122 0.000 0.913 510 Q CA 0.463 56.325 55.803 0.098 0.000 0.911 510 Q CB 0.196 28.975 28.738 0.069 0.000 1.040 510 Q HN 0.656 nan 8.270 nan 0.000 0.521 511 L N 2.730 124.025 121.223 0.120 0.000 2.727 511 L HA 0.131 4.471 4.340 0.001 0.000 0.237 511 L C 0.387 177.352 176.870 0.159 0.000 1.370 511 L CA -0.378 54.536 54.840 0.124 0.000 1.248 511 L CB -0.563 41.562 42.059 0.110 0.000 1.556 511 L HN 0.099 nan 8.230 nan 0.000 0.420 512 T N -4.863 109.813 114.554 0.203 0.000 2.899 512 T HA 0.134 4.484 4.350 0.001 0.000 0.284 512 T C 1.077 175.898 174.700 0.203 0.000 1.004 512 T CA -0.654 61.631 62.100 0.309 0.000 1.043 512 T CB 1.963 71.121 68.868 0.484 0.000 1.013 512 T HN 0.443 nan 8.240 nan 0.000 0.518 513 E N 0.485 120.745 120.200 0.100 0.000 2.049 513 E HA -0.326 4.025 4.350 0.001 0.000 0.198 513 E C 2.003 178.586 176.600 -0.029 0.000 1.007 513 E CA 1.657 57.985 56.400 -0.120 0.000 0.809 513 E CB -0.172 29.190 29.700 -0.563 0.000 0.749 513 E HN 0.761 nan 8.360 nan 0.000 0.450 514 Q N 0.793 120.613 119.800 0.033 0.000 2.124 514 Q HA -0.222 4.119 4.340 0.001 0.000 0.202 514 Q C 1.816 177.810 176.000 -0.011 0.000 0.977 514 Q CA 2.106 57.877 55.803 -0.053 0.000 0.850 514 Q CB -0.203 28.369 28.738 -0.276 0.000 0.901 514 Q HN 0.306 nan 8.270 nan 0.000 0.429 515 E N -0.133 120.100 120.200 0.056 0.000 2.072 515 E HA -0.129 4.222 4.350 0.001 0.000 0.191 515 E C 1.709 178.337 176.600 0.048 0.000 0.985 515 E CA 1.485 57.923 56.400 0.064 0.000 0.801 515 E CB -0.395 29.366 29.700 0.102 0.000 0.750 515 E HN 0.539 nan 8.360 nan 0.000 0.452 516 I N 0.328 120.925 120.570 0.045 0.000 2.226 516 I HA -0.265 3.906 4.170 0.001 0.000 0.245 516 I C 2.208 178.335 176.117 0.017 0.000 1.100 516 I CA 1.578 62.897 61.300 0.033 0.000 1.374 516 I CB -0.434 37.585 38.000 0.031 0.000 1.057 516 I HN 0.137 nan 8.210 nan 0.000 0.413 517 T N -0.045 114.510 114.554 0.002 0.000 2.685 517 T HA -0.204 4.147 4.350 0.001 0.000 0.268 517 T C 1.697 176.403 174.700 0.009 0.000 1.034 517 T CA 1.864 63.962 62.100 -0.003 0.000 1.149 517 T CB -0.415 68.442 68.868 -0.019 0.000 0.860 517 T HN 0.524 nan 8.240 nan 0.000 0.449 518 S N 0.529 116.240 115.700 0.018 0.000 2.743 518 S HA 0.383 4.854 4.470 0.001 0.000 0.230 518 S C 0.309 174.927 174.600 0.029 0.000 0.950 518 S CA -0.471 57.746 58.200 0.028 0.000 0.976 518 S CB -0.608 62.616 63.200 0.039 0.000 0.779 518 S HN 0.333 nan 8.310 nan 0.000 0.487 526 R N -0.965 119.498 120.500 -0.061 0.000 2.668 526 R HA 0.673 5.014 4.340 0.001 0.000 0.272 526 R C -0.640 175.572 176.300 -0.148 0.000 1.019 526 R CA -0.276 55.758 56.100 -0.110 0.000 0.894 526 R CB 2.380 32.585 30.300 -0.159 0.000 1.228 526 R HN 1.342 nan 8.270 nan 0.000 0.460 527 A N 2.143 124.888 122.820 -0.125 0.000 2.302 527 A HA 0.199 4.520 4.320 0.001 0.000 0.295 527 A C 0.574 178.032 177.584 -0.210 0.000 1.235 527 A CA -0.442 51.523 52.037 -0.119 0.000 0.876 527 A CB 0.219 19.201 19.000 -0.031 0.000 1.133 527 A HN 0.851 nan 8.150 nan 0.000 0.533 528 K N 1.628 121.834 120.400 -0.323 0.000 2.426 528 K HA -0.019 4.301 4.320 0.001 0.000 0.193 528 K C 1.304 177.896 176.600 -0.013 0.000 1.028 528 K CA 1.103 57.188 56.287 -0.338 0.000 1.047 528 K CB 0.076 32.271 32.500 -0.508 0.000 0.821 528 K HN 0.614 nan 8.250 nan 0.000 0.513 529 S N 1.025 116.693 115.700 -0.054 0.000 2.436 529 S HA -0.115 4.356 4.470 0.001 0.000 0.228 529 S C 2.041 176.579 174.600 -0.102 0.000 1.014 529 S CA 0.328 58.491 58.200 -0.062 0.000 0.950 529 S CB -0.138 63.019 63.200 -0.072 0.000 0.784 529 S HN 0.305 nan 8.310 nan 0.000 0.504 530 Q N 0.039 119.801 119.800 -0.063 0.000 2.030 530 Q HA -0.118 4.223 4.340 0.001 0.000 0.204 530 Q C 1.909 177.658 176.000 -0.420 0.000 0.986 530 Q CA 1.836 57.503 55.803 -0.227 0.000 0.843 530 Q CB -0.329 28.445 28.738 0.059 0.000 0.904 530 Q HN 0.696 nan 8.270 nan 0.000 0.420 531 F N 1.667 121.519 119.950 -0.163 0.000 2.234 531 F HA -0.111 4.416 4.527 0.001 0.000 0.299 531 F C 1.679 177.364 175.800 -0.191 0.000 1.087 531 F CA 1.298 59.163 58.000 -0.225 0.000 1.340 531 F CB -0.014 38.969 39.000 -0.028 0.000 1.031 531 F HN 0.059 nan 8.300 nan 0.000 0.500 532 E N -0.022 120.004 120.200 -0.291 0.000 2.150 532 E HA -0.248 4.103 4.350 0.001 0.000 0.193 532 E C 2.058 178.479 176.600 -0.300 0.000 0.985 532 E CA 1.279 57.477 56.400 -0.337 0.000 0.814 532 E CB -0.238 29.365 29.700 -0.161 0.000 0.752 532 E HN 0.645 nan 8.360 nan 0.000 0.466 533 E N 0.274 120.292 120.200 -0.304 0.000 2.046 533 E HA -0.187 4.164 4.350 0.001 0.000 0.190 533 E C 1.628 178.114 176.600 -0.191 0.000 0.982 533 E CA 0.838 57.081 56.400 -0.261 0.000 0.800 533 E CB -0.099 29.414 29.700 -0.312 0.000 0.756 533 E HN 0.215 nan 8.360 nan 0.000 0.449 534 Y N 1.377 121.581 120.300 -0.160 0.000 2.256 534 Y HA -0.163 4.388 4.550 0.001 0.000 0.288 534 Y C 2.279 178.070 175.900 -0.182 0.000 1.155 534 Y CA 1.172 59.179 58.100 -0.155 0.000 1.203 534 Y CB -0.556 37.760 38.460 -0.240 0.000 0.980 534 Y HN 0.062 nan 8.280 nan 0.000 0.530 535 K N 0.755 121.029 120.400 -0.210 0.000 2.057 535 K HA -0.205 4.116 4.320 0.001 0.000 0.207 535 K C 1.955 178.547 176.600 -0.013 0.000 1.049 535 K CA 1.489 57.643 56.287 -0.222 0.000 0.931 535 K CB -0.062 32.163 32.500 -0.459 0.000 0.714 535 K HN 0.284 nan 8.250 nan 0.000 0.440 536 K N -0.488 119.898 120.400 -0.024 0.000 1.985 536 K HA -0.083 4.238 4.320 0.001 0.000 0.210 536 K C 1.836 178.522 176.600 0.143 0.000 1.047 536 K CA 1.353 57.677 56.287 0.062 0.000 0.932 536 K CB -0.375 32.131 32.500 0.010 0.000 0.716 536 K HN 0.248 nan 8.250 nan 0.000 0.439 537 G N -0.784 108.092 108.800 0.127 0.000 3.079 537 G HA2 -0.206 3.755 3.960 0.001 0.000 0.205 537 G HA3 -0.206 3.755 3.960 0.001 0.000 0.205 537 G C 0.595 175.625 174.900 0.216 0.000 1.203 537 G CA 0.448 45.639 45.100 0.151 0.000 0.929 537 G HN 0.354 nan 8.290 nan 0.000 0.498 538 Y N -2.252 118.099 120.300 0.084 0.000 2.459 538 Y HA 0.369 4.920 4.550 0.001 0.000 0.271 538 Y C 1.483 177.457 175.900 0.122 0.000 1.063 538 Y CA -0.682 57.469 58.100 0.085 0.000 1.216 538 Y CB 0.448 38.960 38.460 0.087 0.000 1.335 538 Y HN 0.122 nan 8.280 nan 0.000 0.550 539 F N 0.713 120.718 119.950 0.091 0.000 2.500 539 F HA 0.259 4.787 4.527 0.001 0.000 0.285 539 F C 1.197 176.990 175.800 -0.011 0.000 1.088 539 F CA 0.171 58.187 58.000 0.028 0.000 1.432 539 F CB 0.138 39.163 39.000 0.042 0.000 1.131 539 F HN -0.245 nan 8.300 nan 0.000 0.582 540 E N 0.000 120.262 120.200 0.103 0.000 2.725 540 E HA 0.000 4.351 4.350 0.001 0.000 0.291 540 E CA 0.000 56.407 56.400 0.011 0.000 0.976 540 E CB 0.000 29.741 29.700 0.069 0.000 0.812 540 E HN 0.000 nan 8.360 nan 0.000 0.440