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 2ez4_1_B DATA FIRST_RESID 9 DATA SEQUENCE TNILAGAAVI KVLEAWGVDH LYGIPGGSIN SIMDALSAER DRIHYIQVRH DATA SEQUENCE EEVGAMAAAA DAKLTGKIGV CFGSAGPGGT HLMNGLYDAR EDHVPVLALI DATA SEQUENCE GQFGTTGMNM DTFQEMNENP IYADVADYNV TAVNAATLPH VIDEAIRRAY DATA SEQUENCE AHQGVAVVQI PVDLPWQQIP AEDWYASANS YQTPLLPEPD VQAVTRLTQT DATA SEQUENCE LLAAERPLIY YGIGARKAGK ELEQLSKTLK IPLMSTYPAK GIVADRYPAY DATA SEQUENCE LGSANRVAQK PANEALAQAD VVLFVGNNYP FAEVSKAFKN TRYFLQIDID DATA SEQUENCE PAKLGKRHKT DIAVLADAQK TLAAILAQVS ERESTPWWQA NLANVKNWRA DATA SEQUENCE YLASLEDKQE GPLQAYQVLR AVNKIAEPDA IYSIDVGDIN LNANRHLKLT DATA SEQUENCE PSNRHITSNL FATMGVGIPG AIAAKLNYPE RQVFNLAGDG GASMTMQDLA DATA SEQUENCE TQVQYHLPVI NVVFTNCQYG WIKDEQEDTN QNDFIGVEFN DIDFSKIADG DATA SEQUENCE VHMQAFRVNK IEQLPDVFEQ AKAIAQHEPV LIDAVITGDR PLPAEKLRLD DATA SEQUENCE SAMSSAADIE AFKQRYEAQD LQPLSTYLKQ FGLDD 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 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.736 174.700 0.059 0.000 1.109 9 T CA 0.000 62.126 62.100 0.043 0.000 1.349 9 T CB 0.000 68.887 68.868 0.031 0.000 0.612 10 N N 0.424 119.160 118.700 0.060 0.000 2.362 10 N HA 0.771 5.511 4.740 -0.000 0.000 0.299 10 N C -1.577 173.981 175.510 0.081 0.000 1.170 10 N CA -0.674 52.419 53.050 0.070 0.000 0.825 10 N CB 2.580 41.098 38.487 0.052 0.000 1.299 10 N HN 0.352 nan 8.380 nan 0.000 0.502 11 I N 1.450 122.073 120.570 0.088 0.000 2.802 11 I HA 0.325 4.495 4.170 -0.000 0.000 0.298 11 I C -1.160 174.974 176.117 0.028 0.000 1.176 11 I CA -0.773 60.569 61.300 0.069 0.000 1.025 11 I CB 1.626 39.697 38.000 0.117 0.000 1.243 11 I HN 0.384 nan 8.210 nan 0.000 0.424 12 L N 6.298 127.525 121.223 0.008 0.000 2.453 12 L HA 0.155 4.495 4.340 -0.000 0.000 0.272 12 L C 1.553 178.378 176.870 -0.074 0.000 1.182 12 L CA 0.172 55.011 54.840 -0.002 0.000 0.858 12 L CB 1.196 43.272 42.059 0.028 0.000 1.120 12 L HN 0.854 nan 8.230 nan 0.000 0.474 13 A N 3.584 126.361 122.820 -0.072 0.000 1.940 13 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 13 A C 2.140 179.602 177.584 -0.204 0.000 1.176 13 A CA 1.878 53.836 52.037 -0.132 0.000 0.631 13 A CB -0.919 18.027 19.000 -0.090 0.000 0.814 13 A HN 0.991 nan 8.150 nan 0.000 0.446 14 G N -0.543 108.141 108.800 -0.194 0.000 2.418 14 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.217 14 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.217 14 G C 1.750 176.506 174.900 -0.240 0.000 1.158 14 G CA 1.449 46.402 45.100 -0.244 0.000 0.771 14 G HN 0.822 nan 8.290 nan 0.000 0.545 15 A N 1.184 123.885 122.820 -0.198 0.000 1.902 15 A HA 0.242 4.562 4.320 -0.000 0.000 0.217 15 A C 2.823 180.212 177.584 -0.326 0.000 1.181 15 A CA 2.293 54.213 52.037 -0.195 0.000 0.623 15 A CB -0.794 18.138 19.000 -0.114 0.000 0.818 15 A HN 0.804 nan 8.150 nan 0.000 0.443 16 A N -0.574 121.958 122.820 -0.480 0.000 1.902 16 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 16 A C 2.228 179.349 177.584 -0.772 0.000 1.181 16 A CA 1.778 53.231 52.037 -0.974 0.000 0.623 16 A CB -0.981 17.330 19.000 -1.147 0.000 0.818 16 A HN 0.395 nan 8.150 nan 0.000 0.443 17 V N 0.638 120.279 119.914 -0.455 0.000 2.332 17 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 17 V C 2.419 178.360 176.094 -0.254 0.000 1.055 17 V CA 1.908 64.022 62.300 -0.310 0.000 1.038 17 V CB -0.660 31.014 31.823 -0.248 0.000 0.651 17 V HN 0.533 nan 8.190 nan 0.000 0.450 18 I N -0.397 120.023 120.570 -0.249 0.000 2.315 18 I HA -0.131 4.039 4.170 -0.000 0.000 0.248 18 I C 2.400 178.433 176.117 -0.141 0.000 1.117 18 I CA 1.391 62.585 61.300 -0.176 0.000 1.404 18 I CB -1.301 36.603 38.000 -0.160 0.000 1.071 18 I HN 0.302 nan 8.210 nan 0.000 0.419 19 K N 0.706 120.981 120.400 -0.208 0.000 2.148 19 K HA -0.033 4.287 4.320 -0.000 0.000 0.204 19 K C 2.275 178.877 176.600 0.003 0.000 1.050 19 K CA 0.750 56.975 56.287 -0.103 0.000 0.942 19 K CB -0.684 31.728 32.500 -0.146 0.000 0.724 19 K HN 0.214 nan 8.250 nan 0.000 0.446 20 V N 1.923 121.788 119.914 -0.081 0.000 2.343 20 V HA -0.216 3.904 4.120 -0.000 0.000 0.247 20 V C 2.421 178.639 176.094 0.207 0.000 1.051 20 V CA 1.417 63.796 62.300 0.132 0.000 1.036 20 V CB -0.474 31.391 31.823 0.071 0.000 0.654 20 V HN 0.186 nan 8.190 nan 0.000 0.451 21 L N -0.373 120.891 121.223 0.068 0.000 2.046 21 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 21 L C 2.574 179.505 176.870 0.101 0.000 1.077 21 L CA 1.746 56.627 54.840 0.070 0.000 0.747 21 L CB -0.675 41.368 42.059 -0.026 0.000 0.896 21 L HN 0.387 nan 8.230 nan 0.000 0.432 22 E N 0.220 120.453 120.200 0.056 0.000 2.106 22 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 22 E C 2.312 178.951 176.600 0.065 0.000 0.984 22 E CA 1.058 57.483 56.400 0.042 0.000 0.806 22 E CB -0.150 29.560 29.700 0.017 0.000 0.750 22 E HN 0.489 nan 8.360 nan 0.000 0.458 23 A N 0.512 123.387 122.820 0.091 0.000 1.933 23 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 23 A C 1.447 178.987 177.584 -0.073 0.000 1.175 23 A CA 0.943 52.987 52.037 0.012 0.000 0.628 23 A CB -0.842 18.171 19.000 0.022 0.000 0.814 23 A HN 0.362 nan 8.150 nan 0.000 0.444 24 W N -0.857 120.446 121.300 0.005 0.000 3.180 24 W HA 0.353 5.013 4.660 -0.000 0.000 0.254 24 W C 1.541 178.043 176.519 -0.029 0.000 1.318 24 W CA 0.856 58.190 57.345 -0.017 0.000 1.608 24 W CB 0.005 29.466 29.460 0.002 0.000 1.124 24 W HN 0.574 nan 8.180 nan 0.000 0.694 25 G N 0.341 109.223 108.800 0.136 0.000 2.160 25 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.244 25 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.244 25 G C -0.091 174.839 174.900 0.051 0.000 1.022 25 G CA -0.122 45.020 45.100 0.070 0.000 0.741 25 G HN 0.013 nan 8.290 nan 0.000 0.508 26 V N 0.673 120.614 119.914 0.045 0.000 2.446 26 V HA 0.232 4.352 4.120 -0.000 0.000 0.276 26 V C 1.494 177.549 176.094 -0.065 0.000 1.030 26 V CA 1.154 63.432 62.300 -0.037 0.000 1.033 26 V CB 1.331 33.125 31.823 -0.048 0.000 0.993 26 V HN 0.533 nan 8.190 nan 0.000 0.477 27 D N 3.213 123.554 120.400 -0.099 0.000 2.183 27 D HA -0.016 4.623 4.640 -0.000 0.000 0.205 27 D C 0.664 177.013 176.300 0.081 0.000 0.962 27 D CA 0.845 54.861 54.000 0.028 0.000 0.849 27 D CB 0.340 41.232 40.800 0.154 0.000 0.978 27 D HN 0.809 nan 8.370 nan 0.000 0.488 28 H N -1.324 117.708 119.070 -0.063 0.000 3.046 28 H HA 0.475 5.031 4.556 -0.000 0.000 0.361 28 H C -1.004 174.154 175.328 -0.284 0.000 1.235 28 H CA -1.165 54.789 56.048 -0.157 0.000 1.146 28 H CB 0.579 30.212 29.762 -0.215 0.000 1.859 28 H HN 0.114 nan 8.280 nan 0.000 0.548 29 L N -0.266 120.805 121.223 -0.253 0.000 2.469 29 L HA 0.741 5.081 4.340 -0.000 0.000 0.256 29 L C -2.019 174.692 176.870 -0.265 0.000 1.006 29 L CA -1.169 53.527 54.840 -0.240 0.000 0.832 29 L CB 2.618 44.704 42.059 0.045 0.000 1.421 29 L HN 0.484 nan 8.230 nan 0.000 0.410 30 Y N 0.182 120.530 120.300 0.081 0.000 2.485 30 Y HA 0.976 5.526 4.550 -0.000 0.000 0.345 30 Y C 0.606 176.269 175.900 -0.394 0.000 0.998 30 Y CA -0.178 57.870 58.100 -0.086 0.000 1.059 30 Y CB 2.419 40.811 38.460 -0.114 0.000 1.234 30 Y HN 1.039 nan 8.280 nan 0.000 0.461 31 G N 1.057 109.642 108.800 -0.358 0.000 2.320 31 G HA2 0.517 4.477 3.960 -0.000 0.000 0.296 31 G HA3 0.517 4.477 3.960 -0.000 0.000 0.296 31 G C -2.260 172.452 174.900 -0.313 0.000 1.306 31 G CA -0.915 43.575 45.100 -1.017 0.000 0.836 31 G HN 0.507 nan 8.290 nan 0.000 0.517 32 I N 2.113 122.564 120.570 -0.199 0.000 2.498 32 I HA 0.401 4.571 4.170 -0.000 0.000 0.290 32 I C -2.083 174.225 176.117 0.318 0.000 1.032 32 I CA -2.072 59.320 61.300 0.154 0.000 1.073 32 I CB 2.968 41.025 38.000 0.095 0.000 1.251 32 I HN 0.297 nan 8.210 nan 0.000 0.426 33 P HA 0.396 nan 4.420 nan 0.000 0.274 33 P C -0.443 176.962 177.300 0.175 0.000 1.246 33 P CA -0.074 63.181 63.100 0.260 0.000 0.795 33 P CB 1.324 33.120 31.700 0.159 0.000 1.006 34 G N -1.403 107.470 108.800 0.123 0.000 2.646 34 G HA2 0.440 4.400 3.960 -0.000 0.000 0.291 34 G HA3 0.440 4.400 3.960 -0.000 0.000 0.291 34 G C 0.703 175.647 174.900 0.074 0.000 1.445 34 G CA -0.130 45.033 45.100 0.106 0.000 0.814 34 G HN 0.469 nan 8.290 nan 0.000 0.495 35 G N 0.062 108.918 108.800 0.093 0.000 2.442 35 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.219 35 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.219 35 G C 2.011 176.930 174.900 0.033 0.000 1.141 35 G CA 2.248 47.396 45.100 0.081 0.000 0.763 35 G HN 1.554 nan 8.290 nan 0.000 0.554 36 S N -0.744 114.984 115.700 0.046 0.000 2.603 36 S HA 0.204 4.673 4.470 -0.000 0.000 0.229 36 S C 1.560 176.112 174.600 -0.079 0.000 0.972 36 S CA 0.671 58.871 58.200 -0.000 0.000 0.935 36 S CB 0.047 63.289 63.200 0.069 0.000 0.769 36 S HN 0.342 nan 8.310 nan 0.000 0.536 37 I N 0.083 120.595 120.570 -0.097 0.000 3.994 37 I HA 0.313 4.483 4.170 -0.000 0.000 0.323 37 I C 0.650 176.592 176.117 -0.290 0.000 1.501 37 I CA -0.109 61.069 61.300 -0.203 0.000 1.112 37 I CB 0.380 38.293 38.000 -0.145 0.000 1.254 37 I HN 0.013 nan 8.210 nan 0.000 0.495 38 N N 0.684 119.243 118.700 -0.235 0.000 2.396 38 N HA -0.104 4.636 4.740 -0.000 0.000 0.180 38 N C 1.973 177.234 175.510 -0.415 0.000 1.028 38 N CA 1.538 54.474 53.050 -0.189 0.000 0.893 38 N CB 0.109 38.619 38.487 0.038 0.000 0.967 38 N HN 0.512 nan 8.380 nan 0.000 0.440 39 S N -0.008 115.140 115.700 -0.920 0.000 2.395 39 S HA 0.029 4.499 4.470 -0.000 0.000 0.225 39 S C 1.922 176.057 174.600 -0.775 0.000 1.027 39 S CA 0.276 57.604 58.200 -1.454 0.000 0.965 39 S CB -0.117 61.713 63.200 -2.284 0.000 0.812 39 S HN 0.039 nan 8.310 nan 0.000 0.482 40 I N 2.162 122.371 120.570 -0.602 0.000 2.179 40 I HA -0.083 4.087 4.170 -0.000 0.000 0.242 40 I C 2.502 178.339 176.117 -0.468 0.000 1.088 40 I CA 1.263 62.263 61.300 -0.499 0.000 1.357 40 I CB -1.225 36.458 38.000 -0.529 0.000 1.051 40 I HN 0.291 nan 8.210 nan 0.000 0.409 41 M N 0.045 119.361 119.600 -0.472 0.000 2.106 41 M HA -0.256 4.224 4.480 -0.000 0.000 0.259 41 M C 1.996 178.157 176.300 -0.232 0.000 1.068 41 M CA 1.670 56.743 55.300 -0.378 0.000 1.100 41 M CB -1.553 30.885 32.600 -0.270 0.000 1.351 41 M HN 0.184 nan 8.290 nan 0.000 0.404 42 D N -0.003 120.295 120.400 -0.170 0.000 2.117 42 D HA -0.048 4.592 4.640 -0.000 0.000 0.197 42 D C 1.920 178.181 176.300 -0.064 0.000 0.987 42 D CA 1.659 55.642 54.000 -0.028 0.000 0.829 42 D CB 0.083 40.987 40.800 0.174 0.000 0.961 42 D HN 0.327 nan 8.370 nan 0.000 0.460 43 A N 0.038 122.767 122.820 -0.151 0.000 1.929 43 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 43 A C 2.467 179.972 177.584 -0.132 0.000 1.176 43 A CA 0.712 52.666 52.037 -0.139 0.000 0.628 43 A CB -0.689 18.195 19.000 -0.193 0.000 0.816 43 A HN 0.301 nan 8.150 nan 0.000 0.444 44 L N -0.690 120.426 121.223 -0.177 0.000 2.046 44 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 44 L C 2.898 179.721 176.870 -0.078 0.000 1.077 44 L CA 1.513 56.264 54.840 -0.148 0.000 0.747 44 L CB -0.412 41.508 42.059 -0.233 0.000 0.896 44 L HN 0.484 nan 8.230 nan 0.000 0.432 45 S N -0.371 115.286 115.700 -0.071 0.000 2.383 45 S HA -0.184 4.286 4.470 -0.000 0.000 0.229 45 S C 1.924 176.526 174.600 0.003 0.000 1.030 45 S CA 1.295 59.487 58.200 -0.012 0.000 1.002 45 S CB -0.074 63.125 63.200 -0.002 0.000 0.829 45 S HN 0.467 nan 8.310 nan 0.000 0.467 46 A N 0.038 122.851 122.820 -0.012 0.000 2.208 46 A HA 0.191 4.511 4.320 -0.000 0.000 0.209 46 A C 1.372 178.951 177.584 -0.008 0.000 1.161 46 A CA 0.499 52.535 52.037 -0.003 0.000 0.782 46 A CB 0.011 19.009 19.000 -0.004 0.000 0.816 46 A HN 0.430 nan 8.150 nan 0.000 0.477 47 E N -0.533 119.654 120.200 -0.021 0.000 2.789 47 E HA 0.150 4.500 4.350 -0.000 0.000 0.208 47 E C 0.870 177.449 176.600 -0.036 0.000 0.988 47 E CA -0.158 56.222 56.400 -0.033 0.000 1.092 47 E CB 0.129 29.794 29.700 -0.059 0.000 1.066 47 E HN 0.549 nan 8.360 nan 0.000 0.465 48 R N 0.396 120.900 120.500 0.006 0.000 2.152 48 R HA -0.137 4.203 4.340 -0.000 0.000 0.232 48 R C 1.592 177.912 176.300 0.033 0.000 1.117 48 R CA 1.336 57.462 56.100 0.043 0.000 0.981 48 R CB 0.071 30.429 30.300 0.097 0.000 0.870 48 R HN 0.038 nan 8.270 nan 0.000 0.451 49 D N 0.164 120.576 120.400 0.020 0.000 2.224 49 D HA -0.085 4.555 4.640 -0.000 0.000 0.205 49 D C 1.538 177.822 176.300 -0.026 0.000 0.965 49 D CA 1.069 55.097 54.000 0.047 0.000 0.852 49 D CB 0.294 41.120 40.800 0.044 0.000 0.947 49 D HN 0.047 nan 8.370 nan 0.000 0.494 50 R N -0.985 119.437 120.500 -0.129 0.000 2.344 50 R HA 0.395 4.735 4.340 -0.000 0.000 0.209 50 R C -0.104 176.012 176.300 -0.307 0.000 0.886 50 R CA -0.083 55.923 56.100 -0.156 0.000 1.040 50 R CB 1.498 31.757 30.300 -0.067 0.000 1.114 50 R HN 0.144 nan 8.270 nan 0.000 0.547 51 I N 0.784 121.106 120.570 -0.412 0.000 2.607 51 I HA 0.231 4.401 4.170 -0.000 0.000 0.290 51 I C -1.447 174.423 176.117 -0.411 0.000 1.129 51 I CA -0.899 60.168 61.300 -0.388 0.000 1.042 51 I CB 1.723 39.628 38.000 -0.158 0.000 1.242 51 I HN 0.122 nan 8.210 nan 0.000 0.421 52 H N 6.648 125.748 119.070 0.051 0.000 2.641 52 H HA 0.223 4.779 4.556 -0.000 0.000 0.295 52 H C -1.140 174.214 175.328 0.043 0.000 1.070 52 H CA -0.399 55.681 56.048 0.052 0.000 1.257 52 H CB 0.713 30.486 29.762 0.018 0.000 1.393 52 H HN 0.441 nan 8.280 nan 0.000 0.464 53 Y N 4.830 125.167 120.300 0.062 0.000 2.359 53 Y HA 0.210 4.760 4.550 -0.000 0.000 0.334 53 Y C -0.851 175.029 175.900 -0.033 0.000 1.058 53 Y CA -1.121 57.000 58.100 0.035 0.000 1.244 53 Y CB 0.431 38.954 38.460 0.105 0.000 1.187 53 Y HN 0.503 nan 8.280 nan 0.000 0.510 54 I N 7.565 127.687 120.570 -0.746 0.000 2.330 54 I HA 0.154 4.324 4.170 -0.000 0.000 0.286 54 I C -0.177 175.414 176.117 -0.877 0.000 1.025 54 I CA -0.638 60.108 61.300 -0.923 0.000 1.197 54 I CB 1.121 38.685 38.000 -0.726 0.000 1.358 54 I HN 0.635 nan 8.210 nan 0.000 0.467 55 Q N 7.114 126.480 119.800 -0.722 0.000 2.307 55 Q HA 0.279 4.618 4.340 -0.000 0.000 0.261 55 Q C -0.603 175.414 176.000 0.029 0.000 1.051 55 Q CA -0.165 55.480 55.803 -0.264 0.000 0.911 55 Q CB 1.275 30.030 28.738 0.028 0.000 1.227 55 Q HN 0.600 nan 8.270 nan 0.000 0.418 56 V N 3.004 122.932 119.914 0.023 0.000 3.262 56 V HA 0.452 4.572 4.120 -0.000 0.000 0.313 56 V C 0.808 176.949 176.094 0.080 0.000 1.070 56 V CA -0.647 61.691 62.300 0.063 0.000 1.049 56 V CB 1.305 33.149 31.823 0.035 0.000 1.157 56 V HN 0.704 nan 8.190 nan 0.000 0.454 57 R N -0.502 120.049 120.500 0.085 0.000 2.290 57 R HA 0.289 4.629 4.340 -0.000 0.000 0.197 57 R C 0.266 176.640 176.300 0.123 0.000 0.913 57 R CA 0.433 56.588 56.100 0.093 0.000 1.040 57 R CB -0.475 29.873 30.300 0.081 0.000 0.992 57 R HN 0.934 nan 8.270 nan 0.000 0.500 58 H N 0.102 119.168 119.070 -0.007 0.000 2.856 58 H HA 0.197 4.752 4.556 -0.000 0.000 0.355 58 H C -0.171 175.125 175.328 -0.053 0.000 1.079 58 H CA -0.249 55.772 56.048 -0.045 0.000 1.240 58 H CB 1.751 31.441 29.762 -0.121 0.000 1.701 58 H HN -0.208 nan 8.280 nan 0.000 0.527 59 E N 2.223 122.469 120.200 0.077 0.000 2.265 59 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 59 E C 1.781 178.464 176.600 0.137 0.000 0.996 59 E CA 1.307 57.762 56.400 0.092 0.000 0.832 59 E CB 0.185 29.941 29.700 0.094 0.000 0.756 59 E HN 0.786 nan 8.360 nan 0.000 0.491 60 E N 0.603 120.981 120.200 0.297 0.000 2.153 60 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 60 E C 1.801 178.394 176.600 -0.012 0.000 0.988 60 E CA 1.328 57.792 56.400 0.108 0.000 0.811 60 E CB -0.194 29.506 29.700 -0.001 0.000 0.746 60 E HN 0.129 nan 8.360 nan 0.000 0.466 61 V N 1.561 121.457 119.914 -0.030 0.000 2.427 61 V HA -0.160 3.960 4.120 -0.000 0.000 0.248 61 V C 2.526 178.493 176.094 -0.211 0.000 1.051 61 V CA 1.859 64.096 62.300 -0.106 0.000 1.048 61 V CB -0.872 30.908 31.823 -0.072 0.000 0.666 61 V HN 0.561 nan 8.190 nan 0.000 0.456 62 G N -0.257 108.443 108.800 -0.168 0.000 2.421 62 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.216 62 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.216 62 G C 1.769 176.515 174.900 -0.256 0.000 1.171 62 G CA 1.062 46.011 45.100 -0.252 0.000 0.775 62 G HN 0.598 nan 8.290 nan 0.000 0.543 63 A N 0.438 123.189 122.820 -0.115 0.000 1.898 63 A HA 0.095 4.415 4.320 -0.000 0.000 0.216 63 A C 2.466 179.985 177.584 -0.109 0.000 1.181 63 A CA 1.741 53.735 52.037 -0.072 0.000 0.620 63 A CB -0.333 18.664 19.000 -0.004 0.000 0.819 63 A HN 0.374 nan 8.150 nan 0.000 0.442 64 M N -0.604 118.925 119.600 -0.119 0.000 2.175 64 M HA -0.111 4.369 4.480 -0.000 0.000 0.264 64 M C 2.467 178.665 176.300 -0.170 0.000 1.063 64 M CA 1.349 56.587 55.300 -0.104 0.000 1.119 64 M CB -0.299 32.255 32.600 -0.076 0.000 1.377 64 M HN 0.481 nan 8.290 nan 0.000 0.415 65 A N 0.172 122.783 122.820 -0.348 0.000 1.930 65 A HA 0.019 4.339 4.320 -0.000 0.000 0.217 65 A C 2.330 179.732 177.584 -0.303 0.000 1.175 65 A CA 1.656 53.412 52.037 -0.468 0.000 0.627 65 A CB -0.801 17.586 19.000 -1.022 0.000 0.815 65 A HN 0.479 nan 8.150 nan 0.000 0.443 66 A N -0.003 122.655 122.820 -0.270 0.000 1.902 66 A HA 0.177 4.496 4.320 -0.000 0.000 0.217 66 A C 2.485 180.063 177.584 -0.011 0.000 1.181 66 A CA 1.963 54.020 52.037 0.033 0.000 0.623 66 A CB -0.954 18.088 19.000 0.071 0.000 0.818 66 A HN 0.992 nan 8.150 nan 0.000 0.443 67 A N -0.051 122.737 122.820 -0.054 0.000 1.902 67 A HA 0.148 4.468 4.320 -0.000 0.000 0.217 67 A C 2.514 180.084 177.584 -0.023 0.000 1.181 67 A CA 2.124 54.133 52.037 -0.047 0.000 0.623 67 A CB -1.050 17.920 19.000 -0.050 0.000 0.818 67 A HN 1.066 nan 8.150 nan 0.000 0.443 68 A N -0.079 122.732 122.820 -0.016 0.000 1.902 68 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 68 A C 1.800 179.422 177.584 0.064 0.000 1.181 68 A CA 1.893 53.941 52.037 0.020 0.000 0.623 68 A CB -0.651 18.359 19.000 0.017 0.000 0.818 68 A HN 0.474 nan 8.150 nan 0.000 0.443 69 D N 0.134 120.587 120.400 0.089 0.000 2.126 69 D HA -0.167 4.473 4.640 -0.000 0.000 0.190 69 D C 2.244 178.583 176.300 0.065 0.000 1.001 69 D CA 1.874 55.943 54.000 0.116 0.000 0.841 69 D CB -0.437 40.437 40.800 0.124 0.000 0.949 69 D HN 0.434 nan 8.370 nan 0.000 0.446 70 A N 0.822 123.656 122.820 0.024 0.000 1.930 70 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 70 A C 2.075 179.679 177.584 0.034 0.000 1.175 70 A CA 1.407 53.450 52.037 0.009 0.000 0.627 70 A CB -0.329 18.645 19.000 -0.045 0.000 0.815 70 A HN 0.164 nan 8.150 nan 0.000 0.443 71 K N -0.427 119.987 120.400 0.023 0.000 2.063 71 K HA -0.086 4.234 4.320 -0.000 0.000 0.208 71 K C 1.796 178.433 176.600 0.061 0.000 1.048 71 K CA 1.513 57.812 56.287 0.020 0.000 0.928 71 K CB -0.350 32.148 32.500 -0.004 0.000 0.713 71 K HN 0.472 nan 8.250 nan 0.000 0.442 72 L N -0.019 121.268 121.223 0.108 0.000 2.068 72 L HA -0.104 4.236 4.340 -0.000 0.000 0.204 72 L C 2.598 179.599 176.870 0.218 0.000 1.076 72 L CA 1.502 56.456 54.840 0.189 0.000 0.753 72 L CB -0.416 41.823 42.059 0.300 0.000 0.910 72 L HN 0.337 nan 8.230 nan 0.000 0.439 73 T N -4.928 109.728 114.554 0.169 0.000 2.990 73 T HA 0.256 4.606 4.350 -0.000 0.000 0.249 73 T C 1.506 176.287 174.700 0.136 0.000 1.039 73 T CA 0.540 62.733 62.100 0.155 0.000 1.036 73 T CB 0.824 69.741 68.868 0.082 0.000 0.994 73 T HN 0.406 nan 8.240 nan 0.000 0.489 74 G N 1.586 110.461 108.800 0.126 0.000 2.179 74 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.260 74 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.260 74 G C -0.024 175.002 174.900 0.210 0.000 0.977 74 G CA 0.288 45.481 45.100 0.154 0.000 0.641 74 G HN 0.683 nan 8.290 nan 0.000 0.533 75 K N 0.048 120.541 120.400 0.155 0.000 2.110 75 K HA 0.594 4.914 4.320 -0.000 0.000 0.263 75 K C 0.671 177.267 176.600 -0.008 0.000 0.975 75 K CA -0.945 55.454 56.287 0.185 0.000 0.895 75 K CB 1.972 34.542 32.500 0.116 0.000 1.060 75 K HN 0.245 nan 8.250 nan 0.000 0.448 76 I N 1.897 122.337 120.570 -0.217 0.000 2.826 76 I HA -0.070 4.099 4.170 -0.000 0.000 0.295 76 I C 0.413 176.397 176.117 -0.221 0.000 1.213 76 I CA 0.529 61.560 61.300 -0.449 0.000 1.436 76 I CB 0.378 37.918 38.000 -0.767 0.000 1.348 76 I HN 0.679 nan 8.210 nan 0.000 0.570 77 G N 6.303 115.000 108.800 -0.172 0.000 2.420 77 G HA2 0.529 4.489 3.960 -0.000 0.000 0.284 77 G HA3 0.529 4.489 3.960 -0.000 0.000 0.284 77 G C -1.108 173.746 174.900 -0.076 0.000 1.177 77 G CA -0.428 44.623 45.100 -0.081 0.000 0.841 77 G HN 0.518 nan 8.290 nan 0.000 0.527 78 V N 0.907 120.817 119.914 -0.007 0.000 2.577 78 V HA 0.541 4.661 4.120 -0.000 0.000 0.303 78 V C 0.171 176.351 176.094 0.144 0.000 1.042 78 V CA -0.770 61.537 62.300 0.012 0.000 0.872 78 V CB 0.926 32.726 31.823 -0.038 0.000 0.998 78 V HN 1.228 nan 8.190 nan 0.000 0.423 79 C N 3.554 122.931 119.300 0.130 0.000 3.154 79 C HA 1.032 5.492 4.460 -0.000 0.000 0.312 79 C C -0.897 174.210 174.990 0.194 0.000 1.349 79 C CA -0.993 58.119 59.018 0.156 0.000 1.518 79 C CB 1.433 29.221 27.740 0.079 0.000 1.934 79 C HN 1.016 nan 8.230 nan 0.000 0.462 80 F N -0.673 119.319 119.950 0.070 0.000 2.686 80 F HA 0.932 5.458 4.527 -0.000 0.000 0.311 80 F C -0.363 175.465 175.800 0.047 0.000 1.128 80 F CA -0.391 57.619 58.000 0.017 0.000 0.946 80 F CB 1.369 40.359 39.000 -0.016 0.000 1.336 80 F HN 1.169 nan 8.300 nan 0.000 0.457 81 G N 0.548 109.504 108.800 0.260 0.000 2.719 81 G HA2 0.538 4.498 3.960 -0.000 0.000 0.298 81 G HA3 0.538 4.498 3.960 -0.000 0.000 0.298 81 G C -1.363 173.658 174.900 0.202 0.000 1.411 81 G CA -0.579 44.623 45.100 0.171 0.000 0.991 81 G HN 1.063 nan 8.290 nan 0.000 0.509 82 S N 0.605 116.410 115.700 0.175 0.000 2.589 82 S HA 0.590 5.060 4.470 -0.000 0.000 0.265 82 S C 1.029 175.678 174.600 0.081 0.000 1.342 82 S CA 0.160 58.433 58.200 0.121 0.000 1.005 82 S CB 1.078 64.347 63.200 0.115 0.000 0.909 82 S HN 1.966 nan 8.310 nan 0.000 0.555 83 A N 1.460 124.321 122.820 0.067 0.000 2.587 83 A HA 0.489 4.809 4.320 -0.000 0.000 0.233 83 A C 1.543 179.145 177.584 0.030 0.000 1.049 83 A CA 0.394 52.467 52.037 0.060 0.000 0.754 83 A CB -1.503 17.543 19.000 0.075 0.000 0.977 83 A HN 2.482 nan 8.150 nan 0.000 0.509 84 G N 2.319 111.136 108.800 0.028 0.000 2.557 84 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.292 84 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.292 84 G C -0.657 174.224 174.900 -0.030 0.000 1.162 84 G CA 0.403 45.489 45.100 -0.022 0.000 0.964 84 G HN 0.867 nan 8.290 nan 0.000 0.541 85 P HA -0.000 nan 4.420 nan 0.000 0.222 85 P C 1.905 179.086 177.300 -0.198 0.000 1.147 85 P CA 2.489 65.477 63.100 -0.187 0.000 0.790 85 P CB -0.659 30.904 31.700 -0.228 0.000 0.780 86 G N 0.598 109.362 108.800 -0.060 0.000 2.414 86 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.215 86 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.215 86 G C 1.882 176.833 174.900 0.086 0.000 1.188 86 G CA 0.908 46.019 45.100 0.019 0.000 0.783 86 G HN 0.350 nan 8.290 nan 0.000 0.537 87 G N 0.597 109.468 108.800 0.119 0.000 2.418 87 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.217 87 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.217 87 G C 2.025 177.097 174.900 0.287 0.000 1.158 87 G CA 2.306 47.535 45.100 0.216 0.000 0.771 87 G HN 0.589 nan 8.290 nan 0.000 0.545 88 T N -2.069 112.591 114.554 0.176 0.000 2.833 88 T HA -0.122 4.228 4.350 -0.000 0.000 0.269 88 T C 1.929 176.749 174.700 0.199 0.000 1.054 88 T CA 1.538 63.709 62.100 0.119 0.000 1.135 88 T CB -0.691 68.181 68.868 0.006 0.000 0.869 88 T HN 0.551 nan 8.240 nan 0.000 0.466 89 H N 0.760 119.888 119.070 0.097 0.000 2.489 89 H HA 0.102 4.657 4.556 -0.000 0.000 0.295 89 H C 1.942 177.367 175.328 0.163 0.000 1.082 89 H CA 0.881 57.004 56.048 0.125 0.000 1.295 89 H CB -0.202 29.564 29.762 0.007 0.000 1.380 89 H HN 0.321 nan 8.280 nan 0.000 0.548 90 L N -0.113 121.268 121.223 0.263 0.000 2.275 90 L HA -0.183 4.157 4.340 -0.000 0.000 0.215 90 L C 2.197 179.176 176.870 0.180 0.000 1.119 90 L CA 0.064 55.014 54.840 0.183 0.000 0.790 90 L CB -0.211 41.939 42.059 0.151 0.000 0.919 90 L HN 0.361 nan 8.230 nan 0.000 0.443 91 M N 0.001 119.738 119.600 0.228 0.000 2.089 91 M HA -0.253 4.227 4.480 -0.000 0.000 0.257 91 M C 1.920 178.384 176.300 0.273 0.000 1.071 91 M CA 1.848 57.306 55.300 0.264 0.000 1.096 91 M CB -1.395 31.360 32.600 0.259 0.000 1.330 91 M HN 0.283 nan 8.290 nan 0.000 0.403 92 N N 0.070 118.913 118.700 0.238 0.000 2.166 92 N HA -0.073 4.666 4.740 -0.000 0.000 0.186 92 N C 1.763 177.391 175.510 0.196 0.000 1.019 92 N CA 1.572 54.801 53.050 0.299 0.000 0.856 92 N CB -0.583 38.055 38.487 0.251 0.000 0.993 92 N HN 0.499 nan 8.380 nan 0.000 0.426 93 G N 0.175 109.035 108.800 0.101 0.000 2.403 93 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.216 93 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.216 93 G C 1.412 176.295 174.900 -0.028 0.000 1.154 93 G CA 0.265 45.382 45.100 0.029 0.000 0.784 93 G HN 0.197 nan 8.290 nan 0.000 0.538 94 L N -1.089 120.115 121.223 -0.031 0.000 2.072 94 L HA -0.000 4.340 4.340 -0.000 0.000 0.205 94 L C 2.603 179.294 176.870 -0.299 0.000 1.079 94 L CA 0.783 55.544 54.840 -0.131 0.000 0.752 94 L CB -0.478 41.522 42.059 -0.098 0.000 0.906 94 L HN 0.143 nan 8.230 nan 0.000 0.436 95 Y N 0.275 120.347 120.300 -0.379 0.000 2.293 95 Y HA -0.276 4.274 4.550 -0.000 0.000 0.291 95 Y C 2.421 177.898 175.900 -0.705 0.000 1.137 95 Y CA 1.669 59.306 58.100 -0.771 0.000 1.202 95 Y CB -0.299 37.195 38.460 -1.610 0.000 0.990 95 Y HN 0.243 nan 8.280 nan 0.000 0.537 96 D N -0.270 119.951 120.400 -0.299 0.000 2.097 96 D HA -0.200 4.440 4.640 -0.000 0.000 0.195 96 D C 2.233 178.491 176.300 -0.069 0.000 0.989 96 D CA 1.480 55.465 54.000 -0.025 0.000 0.827 96 D CB -0.254 40.599 40.800 0.089 0.000 0.966 96 D HN 0.238 nan 8.370 nan 0.000 0.456 97 A N 0.356 123.112 122.820 -0.106 0.000 1.902 97 A HA -0.164 4.155 4.320 -0.000 0.000 0.217 97 A C 2.287 179.809 177.584 -0.103 0.000 1.181 97 A CA 1.693 53.669 52.037 -0.102 0.000 0.623 97 A CB -0.659 18.277 19.000 -0.106 0.000 0.818 97 A HN 0.258 nan 8.150 nan 0.000 0.443 98 R N -0.420 119.991 120.500 -0.148 0.000 2.070 98 R HA -0.155 4.185 4.340 -0.000 0.000 0.233 98 R C 1.872 178.155 176.300 -0.029 0.000 1.137 98 R CA 1.745 57.777 56.100 -0.113 0.000 0.945 98 R CB -0.244 29.928 30.300 -0.213 0.000 0.845 98 R HN 0.440 nan 8.270 nan 0.000 0.430 99 E N 0.475 120.658 120.200 -0.028 0.000 2.150 99 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 99 E C 0.954 177.571 176.600 0.029 0.000 0.985 99 E CA 0.993 57.427 56.400 0.058 0.000 0.814 99 E CB -0.072 29.710 29.700 0.137 0.000 0.752 99 E HN 0.402 nan 8.360 nan 0.000 0.466 100 D N -0.048 120.301 120.400 -0.085 0.000 2.328 100 D HA -0.008 4.632 4.640 -0.000 0.000 0.221 100 D C -0.420 175.495 176.300 -0.642 0.000 1.072 100 D CA 0.119 53.926 54.000 -0.323 0.000 0.850 100 D CB -0.536 40.141 40.800 -0.205 0.000 0.922 100 D HN 0.336 nan 8.370 nan 0.000 0.516 101 H N -1.952 117.122 119.070 0.007 0.000 2.506 101 H HA -0.151 4.404 4.556 -0.000 0.000 0.323 101 H C -0.591 174.740 175.328 0.006 0.000 1.076 101 H CA 0.316 56.368 56.048 0.008 0.000 1.108 101 H CB -2.640 27.137 29.762 0.025 0.000 1.569 101 H HN 0.016 nan 8.280 nan 0.000 0.399 102 V N -2.640 117.267 119.914 -0.011 0.000 2.769 102 V HA 0.760 4.880 4.120 -0.000 0.000 0.312 102 V C -2.369 173.690 176.094 -0.059 0.000 1.061 102 V CA -2.562 59.728 62.300 -0.016 0.000 0.931 102 V CB 2.582 34.374 31.823 -0.051 0.000 1.010 102 V HN 0.273 nan 8.190 nan 0.000 0.433 103 P HA 0.323 nan 4.420 nan 0.000 0.271 103 P C -0.787 176.364 177.300 -0.248 0.000 1.233 103 P CA 0.114 63.069 63.100 -0.241 0.000 0.764 103 P CB 1.350 32.755 31.700 -0.492 0.000 0.825 104 V N 5.123 124.912 119.914 -0.209 0.000 2.686 104 V HA 0.283 4.403 4.120 -0.000 0.000 0.306 104 V C -0.214 175.776 176.094 -0.174 0.000 1.065 104 V CA -0.838 61.358 62.300 -0.173 0.000 0.894 104 V CB 2.320 34.073 31.823 -0.116 0.000 1.004 104 V HN 0.377 nan 8.190 nan 0.000 0.424 105 L N 4.622 125.744 121.223 -0.168 0.000 2.272 105 L HA 0.906 5.246 4.340 -0.000 0.000 0.289 105 L C 0.134 176.952 176.870 -0.087 0.000 1.032 105 L CA -0.036 54.718 54.840 -0.143 0.000 0.810 105 L CB 1.177 43.132 42.059 -0.174 0.000 1.205 105 L HN 0.788 nan 8.230 nan 0.000 0.422 106 A N 6.657 129.422 122.820 -0.092 0.000 2.304 106 A HA 0.681 5.000 4.320 -0.000 0.000 0.314 106 A C -1.024 176.499 177.584 -0.101 0.000 1.187 106 A CA -0.568 51.422 52.037 -0.078 0.000 0.810 106 A CB 0.468 19.398 19.000 -0.117 0.000 1.183 106 A HN 0.720 nan 8.150 nan 0.000 0.487 107 L N 3.871 125.078 121.223 -0.026 0.000 2.289 107 L HA 0.465 4.805 4.340 -0.000 0.000 0.285 107 L C -0.638 176.209 176.870 -0.039 0.000 1.049 107 L CA -0.599 54.208 54.840 -0.055 0.000 0.804 107 L CB 1.152 43.179 42.059 -0.052 0.000 1.195 107 L HN 0.489 nan 8.230 nan 0.000 0.428 108 I N 2.493 122.991 120.570 -0.121 0.000 2.378 108 I HA 0.318 4.488 4.170 -0.000 0.000 0.291 108 I C 0.837 176.918 176.117 -0.061 0.000 0.992 108 I CA -0.295 60.944 61.300 -0.101 0.000 1.154 108 I CB 1.354 39.215 38.000 -0.232 0.000 1.315 108 I HN 0.576 nan 8.210 nan 0.000 0.448 109 G N 4.597 113.390 108.800 -0.012 0.000 2.491 109 G HA2 0.284 4.244 3.960 -0.000 0.000 0.238 109 G HA3 0.284 4.244 3.960 -0.000 0.000 0.238 109 G C -0.405 174.498 174.900 0.004 0.000 1.277 109 G CA 0.147 45.235 45.100 -0.021 0.000 0.851 109 G HN 0.608 nan 8.290 nan 0.000 0.573 110 Q N 0.233 120.035 119.800 0.002 0.000 2.418 110 Q HA 0.505 4.844 4.340 -0.000 0.000 0.282 110 Q C -1.069 174.985 176.000 0.089 0.000 1.044 110 Q CA -0.910 54.928 55.803 0.058 0.000 0.813 110 Q CB 1.401 30.162 28.738 0.039 0.000 1.428 110 Q HN 0.462 nan 8.270 nan 0.000 0.402 111 F N 1.370 121.328 119.950 0.013 0.000 2.539 111 F HA 0.522 5.049 4.527 -0.000 0.000 0.340 111 F C 1.117 176.932 175.800 0.024 0.000 1.185 111 F CA 1.325 59.344 58.000 0.033 0.000 1.333 111 F CB 0.614 39.642 39.000 0.046 0.000 1.152 111 F HN 0.638 nan 8.300 nan 0.000 0.602 112 G N 1.848 110.478 108.800 -0.283 0.000 2.554 112 G HA2 0.176 4.136 3.960 -0.000 0.000 0.238 112 G HA3 0.176 4.136 3.960 -0.000 0.000 0.238 112 G C 0.884 175.863 174.900 0.131 0.000 1.259 112 G CA 0.043 45.089 45.100 -0.091 0.000 0.843 112 G HN 0.961 nan 8.290 nan 0.000 0.582 113 T N -1.827 112.774 114.554 0.079 0.000 2.869 113 T HA -0.246 4.104 4.350 -0.000 0.000 0.270 113 T C 2.212 176.983 174.700 0.119 0.000 1.082 113 T CA 2.191 64.346 62.100 0.092 0.000 1.123 113 T CB -0.657 68.243 68.868 0.053 0.000 0.856 113 T HN 0.708 nan 8.240 nan 0.000 0.499 114 T N -1.975 112.661 114.554 0.137 0.000 3.055 114 T HA 0.294 4.644 4.350 -0.000 0.000 0.265 114 T C 1.998 176.823 174.700 0.209 0.000 1.111 114 T CA 0.655 62.840 62.100 0.142 0.000 1.118 114 T CB -0.347 68.592 68.868 0.118 0.000 0.909 114 T HN 0.505 nan 8.240 nan 0.000 0.501 115 G N 0.264 109.287 108.800 0.371 0.000 3.062 115 G HA2 0.390 4.350 3.960 -0.000 0.000 0.228 115 G HA3 0.390 4.350 3.960 -0.000 0.000 0.228 115 G C 0.383 175.339 174.900 0.093 0.000 1.094 115 G CA -0.603 44.686 45.100 0.314 0.000 0.782 115 G HN 0.399 nan 8.290 nan 0.000 0.541 116 M N 1.362 121.079 119.600 0.195 0.000 2.249 116 M HA 0.112 4.591 4.480 -0.000 0.000 0.340 116 M C 0.534 176.848 176.300 0.024 0.000 1.166 116 M CA 0.258 55.613 55.300 0.092 0.000 1.115 116 M CB 0.293 32.956 32.600 0.106 0.000 1.606 116 M HN 0.132 nan 8.290 nan 0.000 0.448 117 N N 0.750 119.445 118.700 -0.008 0.000 2.800 117 N HA -0.168 4.572 4.740 -0.000 0.000 0.250 117 N C -0.073 175.418 175.510 -0.031 0.000 1.078 117 N CA 0.838 53.878 53.050 -0.017 0.000 0.804 117 N CB -0.702 37.785 38.487 0.001 0.000 1.135 117 N HN 0.619 nan 8.380 nan 0.000 0.565 118 M N 0.186 119.749 119.600 -0.063 0.000 2.428 118 M HA 0.069 4.549 4.480 -0.000 0.000 0.239 118 M C -0.167 176.082 176.300 -0.085 0.000 1.121 118 M CA 0.211 55.469 55.300 -0.070 0.000 1.019 118 M CB -0.532 32.016 32.600 -0.086 0.000 1.485 118 M HN -0.021 nan 8.290 nan 0.000 0.484 119 D N 1.723 122.068 120.400 -0.092 0.000 2.735 119 D HA -0.153 4.487 4.640 -0.000 0.000 0.235 119 D C 0.483 176.717 176.300 -0.111 0.000 1.175 119 D CA 0.895 54.841 54.000 -0.089 0.000 0.683 119 D CB -0.961 39.806 40.800 -0.055 0.000 1.008 119 D HN 0.284 nan 8.370 nan 0.000 0.416 120 T N -1.030 113.408 114.554 -0.194 0.000 2.880 120 T HA 0.421 4.771 4.350 -0.000 0.000 0.279 120 T C 0.041 174.668 174.700 -0.122 0.000 0.990 120 T CA -0.726 61.248 62.100 -0.210 0.000 0.938 120 T CB 0.575 69.171 68.868 -0.453 0.000 1.206 120 T HN 0.092 nan 8.240 nan 0.000 0.573 121 F N 2.024 121.866 119.950 -0.179 0.000 2.602 121 F HA 0.155 4.682 4.527 -0.000 0.000 0.385 121 F C 1.403 177.176 175.800 -0.044 0.000 1.063 121 F CA 0.741 58.699 58.000 -0.071 0.000 1.233 121 F CB -0.103 38.895 39.000 -0.004 0.000 1.067 121 F HN 0.860 nan 8.300 nan 0.000 0.564 122 Q N 1.966 121.361 119.800 -0.674 0.000 2.461 122 Q HA -0.297 4.043 4.340 -0.000 0.000 0.264 122 Q C -0.625 175.262 176.000 -0.187 0.000 1.085 122 Q CA 1.189 56.682 55.803 -0.517 0.000 1.006 122 Q CB -0.807 27.554 28.738 -0.629 0.000 1.437 122 Q HN 0.733 nan 8.270 nan 0.000 0.514 123 E N 1.089 121.194 120.200 -0.159 0.000 2.145 123 E HA 0.480 4.830 4.350 -0.000 0.000 0.270 123 E C -0.401 176.150 176.600 -0.082 0.000 0.906 123 E CA -0.367 55.975 56.400 -0.097 0.000 0.761 123 E CB 0.784 30.363 29.700 -0.202 0.000 1.116 123 E HN 0.419 nan 8.360 nan 0.000 0.408 124 M N 2.488 122.064 119.600 -0.040 0.000 2.683 124 M HA 0.460 4.940 4.480 -0.000 0.000 0.274 124 M C -0.888 175.409 176.300 -0.004 0.000 1.272 124 M CA -1.111 54.169 55.300 -0.033 0.000 0.833 124 M CB 1.313 33.889 32.600 -0.040 0.000 1.708 124 M HN 0.144 nan 8.290 nan 0.000 0.463 125 N N 1.566 120.263 118.700 -0.005 0.000 2.406 125 N HA 0.125 4.865 4.740 -0.000 0.000 0.265 125 N C -0.100 175.422 175.510 0.020 0.000 1.203 125 N CA 0.418 53.473 53.050 0.008 0.000 0.945 125 N CB 0.405 38.893 38.487 0.001 0.000 1.165 125 N HN 0.729 nan 8.380 nan 0.000 0.485 126 E N 2.037 122.268 120.200 0.052 0.000 2.385 126 E HA -0.073 4.277 4.350 -0.000 0.000 0.194 126 E C 1.047 177.740 176.600 0.155 0.000 1.013 126 E CA -0.064 56.403 56.400 0.110 0.000 0.866 126 E CB 0.112 29.907 29.700 0.160 0.000 0.832 126 E HN 0.641 nan 8.360 nan 0.000 0.500 127 N N 1.537 120.292 118.700 0.091 0.000 2.069 127 N HA -0.109 4.631 4.740 -0.000 0.000 0.191 127 N C -0.933 174.619 175.510 0.070 0.000 1.031 127 N CA 1.209 54.310 53.050 0.085 0.000 0.852 127 N CB -0.382 38.119 38.487 0.024 0.000 1.018 127 N HN 0.074 nan 8.380 nan 0.000 0.423 128 P HA -0.026 nan 4.420 nan 0.000 0.222 128 P C 1.509 178.772 177.300 -0.062 0.000 1.147 128 P CA 0.719 63.812 63.100 -0.012 0.000 0.790 128 P CB -0.117 31.572 31.700 -0.019 0.000 0.780 129 I N -2.016 118.477 120.570 -0.128 0.000 2.264 129 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 129 I C 1.479 177.270 176.117 -0.542 0.000 1.111 129 I CA 1.808 62.873 61.300 -0.391 0.000 1.382 129 I CB -0.668 36.958 38.000 -0.623 0.000 1.060 129 I HN -0.016 nan 8.210 nan 0.000 0.418 130 Y N -0.096 120.197 120.300 -0.012 0.000 2.507 130 Y HA 0.397 4.947 4.550 -0.000 0.000 0.254 130 Y C 2.175 178.044 175.900 -0.052 0.000 1.171 130 Y CA 0.174 58.253 58.100 -0.036 0.000 1.238 130 Y CB -0.309 38.118 38.460 -0.055 0.000 1.148 130 Y HN -0.005 nan 8.280 nan 0.000 0.525 131 A N 0.340 123.187 122.820 0.046 0.000 1.908 131 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 131 A C 1.834 179.424 177.584 0.011 0.000 1.181 131 A CA 2.389 54.439 52.037 0.021 0.000 0.627 131 A CB -0.582 18.424 19.000 0.009 0.000 0.818 131 A HN 0.453 nan 8.150 nan 0.000 0.445 132 D N -1.223 119.189 120.400 0.020 0.000 2.123 132 D HA -0.091 4.549 4.640 -0.000 0.000 0.200 132 D C 1.732 178.004 176.300 -0.046 0.000 0.976 132 D CA 1.270 55.291 54.000 0.036 0.000 0.831 132 D CB -0.061 40.813 40.800 0.123 0.000 0.974 132 D HN 0.093 nan 8.370 nan 0.000 0.469 133 V N -0.194 119.616 119.914 -0.174 0.000 2.548 133 V HA 0.202 4.322 4.120 -0.000 0.000 0.249 133 V C 0.776 176.712 176.094 -0.263 0.000 1.055 133 V CA 1.090 63.085 62.300 -0.509 0.000 1.065 133 V CB -0.350 30.961 31.823 -0.853 0.000 0.681 133 V HN 0.323 nan 8.190 nan 0.000 0.462 134 A N -0.226 122.526 122.820 -0.113 0.000 2.301 134 A HA 0.374 4.694 4.320 -0.000 0.000 0.312 134 A C 0.769 178.345 177.584 -0.014 0.000 1.182 134 A CA 0.214 52.217 52.037 -0.056 0.000 0.826 134 A CB 0.944 19.933 19.000 -0.017 0.000 1.134 134 A HN 0.452 nan 8.150 nan 0.000 0.501 135 D N 0.179 120.592 120.400 0.021 0.000 2.183 135 D HA -0.064 4.576 4.640 -0.000 0.000 0.203 135 D C -0.179 176.221 176.300 0.166 0.000 0.969 135 D CA 1.493 55.541 54.000 0.079 0.000 0.842 135 D CB 0.029 40.902 40.800 0.121 0.000 0.957 135 D HN 0.487 nan 8.370 nan 0.000 0.484 136 Y N -0.051 120.246 120.300 -0.004 0.000 2.386 136 Y HA 0.502 5.052 4.550 -0.000 0.000 0.334 136 Y C -1.665 174.217 175.900 -0.030 0.000 1.002 136 Y CA -1.404 56.691 58.100 -0.007 0.000 1.068 136 Y CB 1.406 39.858 38.460 -0.012 0.000 1.203 136 Y HN -0.190 nan 8.280 nan 0.000 0.443 137 N N 4.989 123.426 118.700 -0.439 0.000 2.664 137 N HA 0.496 5.236 4.740 -0.000 0.000 0.268 137 N C -2.303 172.983 175.510 -0.374 0.000 1.222 137 N CA -0.341 52.528 53.050 -0.302 0.000 0.805 137 N CB 1.167 39.593 38.487 -0.103 0.000 1.399 137 N HN 0.555 nan 8.380 nan 0.000 0.547 138 V N -0.084 119.584 119.914 -0.409 0.000 2.925 138 V HA 0.730 4.850 4.120 -0.000 0.000 0.311 138 V C -0.284 175.705 176.094 -0.174 0.000 1.104 138 V CA -0.663 61.451 62.300 -0.311 0.000 0.954 138 V CB 1.674 33.246 31.823 -0.418 0.000 1.022 138 V HN 0.372 nan 8.190 nan 0.000 0.427 139 T N 3.765 118.257 114.554 -0.104 0.000 2.733 139 T HA 0.709 5.059 4.350 -0.000 0.000 0.294 139 T C 0.403 175.075 174.700 -0.047 0.000 0.956 139 T CA 0.378 62.440 62.100 -0.063 0.000 0.987 139 T CB 1.037 69.887 68.868 -0.030 0.000 0.920 139 T HN 1.421 nan 8.240 nan 0.000 0.470 140 A N 2.644 125.436 122.820 -0.046 0.000 2.477 140 A HA 0.425 4.745 4.320 -0.000 0.000 0.246 140 A C 1.245 178.820 177.584 -0.015 0.000 1.078 140 A CA -0.421 51.600 52.037 -0.026 0.000 0.770 140 A CB 0.035 19.012 19.000 -0.038 0.000 1.011 140 A HN 1.045 nan 8.150 nan 0.000 0.494 141 V N -0.192 119.722 119.914 -0.000 0.000 3.398 141 V HA 0.379 4.499 4.120 -0.000 0.000 0.298 141 V C 0.084 176.185 176.094 0.012 0.000 1.496 141 V CA 0.154 62.458 62.300 0.007 0.000 1.044 141 V CB -0.713 31.117 31.823 0.012 0.000 0.880 141 V HN 0.823 nan 8.190 nan 0.000 0.443 142 N N 0.042 118.748 118.700 0.011 0.000 2.324 142 N HA 0.574 5.314 4.740 -0.000 0.000 0.285 142 N C 0.620 176.136 175.510 0.009 0.000 1.076 142 N CA 0.454 53.513 53.050 0.016 0.000 0.864 142 N CB 2.583 41.085 38.487 0.025 0.000 1.632 142 N HN 0.099 nan 8.380 nan 0.000 0.478 143 A N 2.868 125.693 122.820 0.008 0.000 1.898 143 A HA 0.113 4.433 4.320 -0.000 0.000 0.214 143 A C 1.996 179.586 177.584 0.010 0.000 1.183 143 A CA 1.746 53.781 52.037 -0.003 0.000 0.622 143 A CB -0.692 18.308 19.000 -0.000 0.000 0.824 143 A HN 0.753 nan 8.150 nan 0.000 0.444 144 A N -0.134 122.705 122.820 0.031 0.000 1.972 144 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 144 A C 2.264 179.890 177.584 0.071 0.000 1.169 144 A CA 2.343 54.413 52.037 0.055 0.000 0.635 144 A CB -1.130 17.904 19.000 0.057 0.000 0.810 144 A HN 0.784 nan 8.150 nan 0.000 0.446 145 T N -3.015 111.575 114.554 0.061 0.000 3.107 145 T HA 0.169 4.519 4.350 -0.000 0.000 0.249 145 T C 1.482 176.237 174.700 0.091 0.000 1.096 145 T CA 0.661 62.815 62.100 0.089 0.000 1.012 145 T CB -0.129 68.788 68.868 0.082 0.000 0.977 145 T HN 0.148 nan 8.240 nan 0.000 0.527 146 L N 2.405 123.649 121.223 0.035 0.000 2.017 146 L HA 0.177 4.517 4.340 -0.000 0.000 0.208 146 L C -0.922 175.934 176.870 -0.022 0.000 1.073 146 L CA 1.741 56.577 54.840 -0.007 0.000 0.745 146 L CB -1.208 40.818 42.059 -0.056 0.000 0.894 146 L HN 0.092 nan 8.230 nan 0.000 0.432 147 P HA -0.227 nan 4.420 nan 0.000 0.216 147 P C 1.503 178.807 177.300 0.006 0.000 1.150 147 P CA 1.736 64.806 63.100 -0.050 0.000 0.843 147 P CB -0.342 31.334 31.700 -0.040 0.000 0.787 148 H N -0.334 118.719 119.070 -0.027 0.000 2.389 148 H HA -0.059 4.497 4.556 -0.000 0.000 0.299 148 H C 1.648 176.960 175.328 -0.027 0.000 1.081 148 H CA 1.253 57.266 56.048 -0.059 0.000 1.345 148 H CB -0.337 29.399 29.762 -0.042 0.000 1.393 148 H HN -0.108 nan 8.280 nan 0.000 0.520 149 V N 1.674 121.570 119.914 -0.030 0.000 2.407 149 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 149 V C 2.793 178.845 176.094 -0.069 0.000 1.055 149 V CA 1.259 63.549 62.300 -0.015 0.000 1.049 149 V CB -0.455 31.414 31.823 0.078 0.000 0.662 149 V HN 0.375 nan 8.190 nan 0.000 0.455 150 I N 0.450 120.964 120.570 -0.093 0.000 2.252 150 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 150 I C 2.350 178.358 176.117 -0.183 0.000 1.102 150 I CA 2.039 63.267 61.300 -0.120 0.000 1.385 150 I CB -1.257 36.673 38.000 -0.117 0.000 1.064 150 I HN 0.420 nan 8.210 nan 0.000 0.414 151 D N 0.842 121.143 120.400 -0.166 0.000 2.097 151 D HA -0.267 4.373 4.640 -0.000 0.000 0.195 151 D C 2.110 178.250 176.300 -0.267 0.000 0.989 151 D CA 1.433 55.361 54.000 -0.121 0.000 0.827 151 D CB 0.164 40.938 40.800 -0.043 0.000 0.966 151 D HN 0.225 nan 8.370 nan 0.000 0.456 152 E N 0.013 119.964 120.200 -0.414 0.000 2.058 152 E HA -0.154 4.195 4.350 -0.000 0.000 0.194 152 E C 1.881 178.148 176.600 -0.554 0.000 0.997 152 E CA 1.556 57.669 56.400 -0.479 0.000 0.801 152 E CB -0.580 28.799 29.700 -0.534 0.000 0.746 152 E HN 0.315 nan 8.360 nan 0.000 0.450 153 A N 0.576 123.142 122.820 -0.424 0.000 1.865 153 A HA -0.191 4.128 4.320 -0.000 0.000 0.217 153 A C 2.378 179.748 177.584 -0.358 0.000 1.191 153 A CA 1.836 53.698 52.037 -0.292 0.000 0.623 153 A CB -0.855 18.135 19.000 -0.017 0.000 0.826 153 A HN 0.374 nan 8.150 nan 0.000 0.444 154 I N -1.204 119.092 120.570 -0.457 0.000 2.179 154 I HA -0.261 3.909 4.170 -0.000 0.000 0.242 154 I C 2.739 178.479 176.117 -0.629 0.000 1.088 154 I CA 1.834 62.733 61.300 -0.669 0.000 1.357 154 I CB -0.358 36.991 38.000 -1.085 0.000 1.051 154 I HN 0.367 nan 8.210 nan 0.000 0.409 155 R N 1.082 121.248 120.500 -0.557 0.000 2.081 155 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 155 R C 2.479 178.644 176.300 -0.225 0.000 1.131 155 R CA 1.454 57.396 56.100 -0.263 0.000 0.960 155 R CB -0.076 30.201 30.300 -0.038 0.000 0.856 155 R HN 0.265 nan 8.270 nan 0.000 0.436 156 R N -0.317 119.974 120.500 -0.348 0.000 2.092 156 R HA -0.028 4.312 4.340 -0.000 0.000 0.231 156 R C 2.346 178.460 176.300 -0.310 0.000 1.119 156 R CA 1.164 57.014 56.100 -0.417 0.000 0.970 156 R CB -0.282 29.786 30.300 -0.388 0.000 0.864 156 R HN 0.249 nan 8.270 nan 0.000 0.440 157 A N 0.447 123.116 122.820 -0.251 0.000 1.908 157 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 157 A C 1.776 179.255 177.584 -0.174 0.000 1.181 157 A CA 1.340 53.248 52.037 -0.215 0.000 0.627 157 A CB -0.654 18.150 19.000 -0.327 0.000 0.818 157 A HN 0.286 nan 8.150 nan 0.000 0.445 158 Y N -0.357 119.837 120.300 -0.177 0.000 2.163 158 Y HA -0.014 4.536 4.550 -0.000 0.000 0.288 158 Y C 2.963 178.852 175.900 -0.019 0.000 1.136 158 Y CA 0.785 58.849 58.100 -0.060 0.000 1.147 158 Y CB -0.732 37.724 38.460 -0.008 0.000 0.987 158 Y HN 0.316 nan 8.280 nan 0.000 0.509 159 A N -0.797 122.049 122.820 0.044 0.000 1.933 159 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 159 A C 1.428 179.002 177.584 -0.018 0.000 1.175 159 A CA 2.015 54.009 52.037 -0.072 0.000 0.628 159 A CB -0.962 17.862 19.000 -0.293 0.000 0.814 159 A HN 0.696 nan 8.150 nan 0.000 0.444 160 H N -1.625 117.477 119.070 0.054 0.000 2.586 160 H HA 0.173 4.729 4.556 -0.000 0.000 0.273 160 H C -0.303 175.047 175.328 0.037 0.000 0.997 160 H CA -0.207 55.861 56.048 0.034 0.000 1.177 160 H CB 0.397 30.168 29.762 0.016 0.000 1.471 160 H HN 0.294 nan 8.280 nan 0.000 0.538 161 Q N 0.702 120.580 119.800 0.130 0.000 2.443 161 Q HA -0.148 4.192 4.340 -0.000 0.000 0.337 161 Q C 0.285 176.337 176.000 0.085 0.000 1.401 161 Q CA 1.054 56.922 55.803 0.109 0.000 0.943 161 Q CB -1.487 27.340 28.738 0.149 0.000 1.177 161 Q HN 0.833 nan 8.270 nan 0.000 0.394 162 G N -2.112 106.704 108.800 0.028 0.000 2.664 162 G HA2 0.569 4.528 3.960 -0.000 0.000 0.303 162 G HA3 0.569 4.528 3.960 -0.000 0.000 0.303 162 G C -1.168 173.699 174.900 -0.056 0.000 1.243 162 G CA -0.200 44.899 45.100 -0.002 0.000 0.826 162 G HN 0.104 nan 8.290 nan 0.000 0.498 163 V N 0.947 120.824 119.914 -0.061 0.000 2.427 163 V HA 0.687 4.807 4.120 -0.000 0.000 0.286 163 V C 0.422 176.490 176.094 -0.044 0.000 1.034 163 V CA -0.186 62.063 62.300 -0.086 0.000 0.893 163 V CB 0.903 32.653 31.823 -0.122 0.000 0.982 163 V HN 1.180 nan 8.190 nan 0.000 0.452 164 A N 4.883 127.671 122.820 -0.054 0.000 2.318 164 A HA 0.858 5.178 4.320 -0.000 0.000 0.324 164 A C -0.860 176.697 177.584 -0.045 0.000 1.170 164 A CA -0.524 51.524 52.037 0.018 0.000 0.810 164 A CB 1.509 20.529 19.000 0.033 0.000 1.198 164 A HN 0.651 nan 8.150 nan 0.000 0.484 165 V N 2.875 122.748 119.914 -0.067 0.000 2.487 165 V HA 0.509 4.629 4.120 -0.000 0.000 0.298 165 V C -0.612 175.370 176.094 -0.187 0.000 1.028 165 V CA -0.494 61.700 62.300 -0.177 0.000 0.860 165 V CB 1.680 33.344 31.823 -0.265 0.000 0.991 165 V HN 0.657 nan 8.190 nan 0.000 0.427 166 V N 4.652 124.458 119.914 -0.180 0.000 2.407 166 V HA 0.413 4.533 4.120 -0.000 0.000 0.291 166 V C -0.439 175.553 176.094 -0.169 0.000 1.018 166 V CA -0.795 61.412 62.300 -0.156 0.000 0.842 166 V CB 1.691 33.456 31.823 -0.097 0.000 0.996 166 V HN 0.947 nan 8.190 nan 0.000 0.426 167 Q N 4.550 124.258 119.800 -0.152 0.000 2.295 167 Q HA 0.600 4.940 4.340 -0.000 0.000 0.259 167 Q C -0.712 175.236 176.000 -0.088 0.000 0.976 167 Q CA 0.312 56.047 55.803 -0.113 0.000 0.923 167 Q CB 1.405 30.103 28.738 -0.068 0.000 1.185 167 Q HN 0.690 nan 8.270 nan 0.000 0.410 168 I N 4.840 125.354 120.570 -0.093 0.000 2.390 168 I HA 0.319 4.489 4.170 -0.000 0.000 0.283 168 I C -2.298 173.764 176.117 -0.092 0.000 1.016 168 I CA -2.585 58.654 61.300 -0.102 0.000 1.151 168 I CB 1.601 39.512 38.000 -0.148 0.000 1.293 168 I HN 0.340 nan 8.210 nan 0.000 0.458 169 P HA -0.059 nan 4.420 nan 0.000 0.264 169 P C 0.903 178.139 177.300 -0.105 0.000 1.193 169 P CA 0.184 63.256 63.100 -0.047 0.000 0.763 169 P CB 1.049 32.742 31.700 -0.013 0.000 0.810 170 V N 3.576 123.408 119.914 -0.137 0.000 2.759 170 V HA -0.195 3.925 4.120 -0.000 0.000 0.256 170 V C 1.568 177.544 176.094 -0.198 0.000 1.080 170 V CA 2.303 64.468 62.300 -0.226 0.000 1.101 170 V CB -0.886 30.803 31.823 -0.222 0.000 0.698 170 V HN 0.609 nan 8.190 nan 0.000 0.477 171 D N -0.228 120.131 120.400 -0.069 0.000 2.178 171 D HA -0.217 4.423 4.640 -0.000 0.000 0.202 171 D C 2.002 178.314 176.300 0.020 0.000 0.974 171 D CA 1.470 55.498 54.000 0.047 0.000 0.841 171 D CB -0.582 40.242 40.800 0.040 0.000 0.953 171 D HN 0.500 nan 8.370 nan 0.000 0.478 172 L N 0.436 121.627 121.223 -0.052 0.000 2.012 172 L HA -0.091 4.249 4.340 -0.000 0.000 0.210 172 L C -0.291 176.528 176.870 -0.085 0.000 1.073 172 L CA 1.351 56.160 54.840 -0.052 0.000 0.748 172 L CB -1.865 40.156 42.059 -0.063 0.000 0.891 172 L HN 0.090 nan 8.230 nan 0.000 0.431 173 P HA -0.156 nan 4.420 nan 0.000 0.228 173 P C 0.929 178.114 177.300 -0.192 0.000 1.151 173 P CA 1.090 64.033 63.100 -0.262 0.000 0.770 173 P CB -0.031 31.409 31.700 -0.433 0.000 0.786 174 W N -0.281 120.968 121.300 -0.084 0.000 3.278 174 W HA 0.245 4.905 4.660 -0.000 0.000 0.308 174 W C 0.318 176.804 176.519 -0.055 0.000 1.253 174 W CA 0.053 57.355 57.345 -0.071 0.000 1.759 174 W CB -0.508 28.910 29.460 -0.071 0.000 1.093 174 W HN 0.107 nan 8.180 nan 0.000 0.648 175 Q N 1.196 121.078 119.800 0.137 0.000 2.261 175 Q HA 0.138 4.478 4.340 -0.000 0.000 0.252 175 Q C 0.423 176.456 176.000 0.054 0.000 0.915 175 Q CA -0.239 55.613 55.803 0.081 0.000 0.915 175 Q CB 1.218 29.987 28.738 0.051 0.000 1.204 175 Q HN -0.156 nan 8.270 nan 0.000 0.421 176 Q N 2.523 122.353 119.800 0.050 0.000 2.332 176 Q HA 0.318 4.658 4.340 -0.000 0.000 0.263 176 Q C -0.115 175.911 176.000 0.043 0.000 0.979 176 Q CA 0.213 56.042 55.803 0.043 0.000 0.885 176 Q CB 0.642 29.404 28.738 0.040 0.000 1.218 176 Q HN 0.593 nan 8.270 nan 0.000 0.405 177 I N -1.678 118.922 120.570 0.051 0.000 2.934 177 I HA 0.603 4.773 4.170 -0.000 0.000 0.306 177 I C -2.684 173.493 176.117 0.099 0.000 1.110 177 I CA -3.255 58.087 61.300 0.070 0.000 1.019 177 I CB 2.282 40.324 38.000 0.071 0.000 1.227 177 I HN 0.195 nan 8.210 nan 0.000 0.434 178 P HA 0.051 nan 4.420 nan 0.000 0.264 178 P C 0.343 177.746 177.300 0.172 0.000 1.193 178 P CA 0.173 63.339 63.100 0.110 0.000 0.763 178 P CB 1.036 32.789 31.700 0.089 0.000 0.810 179 A N 4.475 127.385 122.820 0.151 0.000 2.067 179 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 179 A C 1.647 179.315 177.584 0.140 0.000 1.158 179 A CA 1.357 53.519 52.037 0.208 0.000 0.661 179 A CB -0.643 18.441 19.000 0.141 0.000 0.801 179 A HN 0.636 nan 8.150 nan 0.000 0.452 180 E N -0.601 119.630 120.200 0.051 0.000 2.476 180 E HA -0.033 4.317 4.350 -0.000 0.000 0.199 180 E C 0.127 176.681 176.600 -0.078 0.000 1.021 180 E CA 0.617 56.984 56.400 -0.055 0.000 0.907 180 E CB -0.240 29.440 29.700 -0.032 0.000 0.974 180 E HN 0.422 nan 8.360 nan 0.000 0.489 181 D N 1.267 121.682 120.400 0.026 0.000 2.120 181 D HA -0.041 4.599 4.640 -0.000 0.000 0.202 181 D C 0.926 177.303 176.300 0.130 0.000 0.972 181 D CA 0.527 54.571 54.000 0.074 0.000 0.837 181 D CB -0.473 40.400 40.800 0.121 0.000 0.989 181 D HN 0.384 nan 8.370 nan 0.000 0.469 182 W N 2.092 123.460 121.300 0.113 0.000 2.150 182 W HA 0.331 4.990 4.660 -0.000 0.000 0.341 182 W C -0.569 176.074 176.519 0.207 0.000 1.276 182 W CA -0.659 56.756 57.345 0.117 0.000 1.238 182 W CB -0.343 29.147 29.460 0.049 0.000 1.128 182 W HN -0.003 nan 8.180 nan 0.000 0.581 183 Y N 0.183 120.602 120.300 0.198 0.000 2.670 183 Y HA 0.766 5.316 4.550 -0.000 0.000 0.334 183 Y C -1.442 174.654 175.900 0.327 0.000 1.185 183 Y CA -1.792 56.304 58.100 -0.007 0.000 1.053 183 Y CB 0.490 38.885 38.460 -0.109 0.000 1.298 183 Y HN 0.724 nan 8.280 nan 0.000 0.459 184 A N 0.664 123.667 122.820 0.304 0.000 2.340 184 A HA 0.583 4.903 4.320 -0.000 0.000 0.331 184 A C 0.208 177.928 177.584 0.226 0.000 1.140 184 A CA -0.315 51.856 52.037 0.224 0.000 0.801 184 A CB 0.832 19.951 19.000 0.198 0.000 1.234 184 A HN 1.267 nan 8.150 nan 0.000 0.469 185 S N 0.782 116.596 115.700 0.191 0.000 2.572 185 S HA 0.314 4.784 4.470 -0.000 0.000 0.228 185 S C 1.375 175.795 174.600 -0.299 0.000 0.963 185 S CA 0.530 58.824 58.200 0.157 0.000 0.939 185 S CB 0.053 63.459 63.200 0.343 0.000 0.804 185 S HN 1.291 nan 8.310 nan 0.000 0.480 186 A N 4.176 126.395 122.820 -1.002 0.000 1.948 186 A HA -0.244 4.076 4.320 -0.000 0.000 0.220 186 A C 2.248 179.435 177.584 -0.661 0.000 1.177 186 A CA 1.836 52.866 52.037 -1.678 0.000 0.636 186 A CB -0.964 17.066 19.000 -1.616 0.000 0.815 186 A HN 0.825 nan 8.150 nan 0.000 0.449 187 N N 0.130 118.616 118.700 -0.358 0.000 2.289 187 N HA -0.108 4.632 4.740 -0.000 0.000 0.184 187 N C 1.255 176.694 175.510 -0.119 0.000 1.016 187 N CA 1.764 54.702 53.050 -0.186 0.000 0.872 187 N CB -0.625 37.788 38.487 -0.123 0.000 0.973 187 N HN 0.350 nan 8.380 nan 0.000 0.433 188 S N -0.692 114.950 115.700 -0.097 0.000 2.527 188 S HA -0.014 4.456 4.470 -0.000 0.000 0.222 188 S C 0.247 174.841 174.600 -0.009 0.000 0.985 188 S CA -0.487 57.695 58.200 -0.031 0.000 0.921 188 S CB -0.425 62.787 63.200 0.020 0.000 0.772 188 S HN 0.490 nan 8.310 nan 0.000 0.529 189 Y N 4.539 124.752 120.300 -0.146 0.000 2.511 189 Y HA 0.228 4.778 4.550 -0.000 0.000 0.332 189 Y C 0.320 176.167 175.900 -0.087 0.000 1.177 189 Y CA -0.010 58.034 58.100 -0.093 0.000 1.422 189 Y CB 0.188 38.568 38.460 -0.133 0.000 1.271 189 Y HN 0.245 nan 8.280 nan 0.000 0.550 190 Q N 2.615 121.995 119.800 -0.700 0.000 2.590 190 Q HA 0.468 4.808 4.340 -0.000 0.000 0.295 190 Q C -1.490 174.133 176.000 -0.627 0.000 0.973 190 Q CA -1.088 54.408 55.803 -0.512 0.000 0.768 190 Q CB 1.580 30.178 28.738 -0.233 0.000 1.479 190 Q HN 0.631 nan 8.270 nan 0.000 0.419 191 T N -1.011 113.341 114.554 -0.336 0.000 2.867 191 T HA 0.648 4.998 4.350 -0.000 0.000 0.282 191 T C -2.000 172.617 174.700 -0.138 0.000 1.000 191 T CA -1.312 60.655 62.100 -0.223 0.000 1.042 191 T CB 0.899 69.701 68.868 -0.110 0.000 0.973 191 T HN 0.535 nan 8.240 nan 0.000 0.465 192 P HA 0.309 nan 4.420 nan 0.000 0.272 192 P C -1.045 176.227 177.300 -0.047 0.000 1.223 192 P CA -0.699 62.360 63.100 -0.068 0.000 0.784 192 P CB 0.446 32.117 31.700 -0.049 0.000 0.923 193 L N 2.629 123.828 121.223 -0.040 0.000 2.261 193 L HA 0.282 4.621 4.340 -0.000 0.000 0.289 193 L C 0.514 177.371 176.870 -0.022 0.000 1.059 193 L CA 0.062 54.885 54.840 -0.029 0.000 0.816 193 L CB -0.210 41.833 42.059 -0.027 0.000 1.191 193 L HN 0.286 nan 8.230 nan 0.000 0.431 194 L N 5.602 126.814 121.223 -0.018 0.000 2.399 194 L HA 0.510 4.850 4.340 -0.000 0.000 0.266 194 L C -1.522 175.341 176.870 -0.011 0.000 1.114 194 L CA -1.759 53.073 54.840 -0.013 0.000 0.804 194 L CB 0.661 42.714 42.059 -0.010 0.000 1.146 194 L HN 0.477 nan 8.230 nan 0.000 0.451 195 P HA 0.130 nan 4.420 nan 0.000 0.275 195 P C -0.813 176.482 177.300 -0.008 0.000 1.266 195 P CA -0.546 62.549 63.100 -0.009 0.000 0.793 195 P CB 0.616 32.312 31.700 -0.007 0.000 1.074 196 E N 0.513 120.708 120.200 -0.008 0.000 2.366 196 E HA 0.250 4.600 4.350 -0.000 0.000 0.266 196 E C -1.929 174.667 176.600 -0.007 0.000 1.051 196 E CA -1.759 54.636 56.400 -0.009 0.000 0.884 196 E CB -0.857 28.838 29.700 -0.009 0.000 1.006 196 E HN 0.324 nan 8.360 nan 0.000 0.417 197 P HA -0.037 nan 4.420 nan 0.000 0.265 197 P C -0.649 176.647 177.300 -0.007 0.000 1.193 197 P CA -0.063 63.034 63.100 -0.007 0.000 0.765 197 P CB 0.219 31.914 31.700 -0.008 0.000 0.823 198 D N 1.997 122.394 120.400 -0.005 0.000 2.450 198 D HA -0.055 4.585 4.640 -0.000 0.000 0.247 198 D C 0.902 177.197 176.300 -0.008 0.000 1.162 198 D CA -0.234 53.763 54.000 -0.006 0.000 0.879 198 D CB 0.443 41.241 40.800 -0.004 0.000 1.163 198 D HN 0.011 nan 8.370 nan 0.000 0.472 199 V N 3.025 122.934 119.914 -0.008 0.000 2.324 199 V HA -0.331 3.789 4.120 -0.000 0.000 0.250 199 V C 2.375 178.463 176.094 -0.011 0.000 1.060 199 V CA 2.104 64.398 62.300 -0.010 0.000 1.042 199 V CB -0.944 30.873 31.823 -0.010 0.000 0.650 199 V HN 0.670 nan 8.190 nan 0.000 0.450 200 Q N -0.496 119.298 119.800 -0.011 0.000 2.187 200 Q HA -0.006 4.334 4.340 -0.000 0.000 0.199 200 Q C 2.413 178.405 176.000 -0.014 0.000 0.957 200 Q CA 1.363 57.158 55.803 -0.012 0.000 0.857 200 Q CB -0.283 28.449 28.738 -0.011 0.000 0.929 200 Q HN 0.685 nan 8.270 nan 0.000 0.453 201 A N 0.348 123.161 122.820 -0.012 0.000 1.929 201 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 201 A C 2.278 179.853 177.584 -0.015 0.000 1.176 201 A CA 0.887 52.917 52.037 -0.012 0.000 0.628 201 A CB -0.434 18.562 19.000 -0.006 0.000 0.816 201 A HN 0.175 nan 8.150 nan 0.000 0.444 202 V N -0.133 119.773 119.914 -0.013 0.000 2.358 202 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 202 V C 2.726 178.809 176.094 -0.019 0.000 1.047 202 V CA 2.422 64.713 62.300 -0.015 0.000 1.035 202 V CB -1.236 30.579 31.823 -0.013 0.000 0.658 202 V HN 0.590 nan 8.190 nan 0.000 0.452 203 T N -0.492 114.051 114.554 -0.019 0.000 2.720 203 T HA -0.249 4.101 4.350 -0.000 0.000 0.268 203 T C 2.072 176.755 174.700 -0.029 0.000 1.037 203 T CA 1.811 63.898 62.100 -0.022 0.000 1.144 203 T CB -0.242 68.614 68.868 -0.020 0.000 0.864 203 T HN 0.349 nan 8.240 nan 0.000 0.444 204 R N 0.338 120.819 120.500 -0.031 0.000 2.075 204 R HA 0.052 4.392 4.340 -0.000 0.000 0.232 204 R C 2.506 178.774 176.300 -0.053 0.000 1.126 204 R CA 1.010 57.084 56.100 -0.044 0.000 0.963 204 R CB -0.462 29.813 30.300 -0.041 0.000 0.858 204 R HN 0.369 nan 8.270 nan 0.000 0.435 205 L N 0.353 121.552 121.223 -0.041 0.000 2.046 205 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 205 L C 1.869 178.717 176.870 -0.037 0.000 1.077 205 L CA 1.819 56.635 54.840 -0.040 0.000 0.747 205 L CB -0.355 41.688 42.059 -0.025 0.000 0.896 205 L HN 0.229 nan 8.230 nan 0.000 0.432 206 T N -0.638 113.898 114.554 -0.030 0.000 2.720 206 T HA -0.253 4.097 4.350 -0.000 0.000 0.268 206 T C 1.808 176.491 174.700 -0.030 0.000 1.037 206 T CA 1.535 63.620 62.100 -0.024 0.000 1.144 206 T CB -0.254 68.601 68.868 -0.021 0.000 0.864 206 T HN 0.406 nan 8.240 nan 0.000 0.444 207 Q N 0.750 120.526 119.800 -0.040 0.000 2.084 207 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 207 Q C 2.255 178.220 176.000 -0.058 0.000 0.978 207 Q CA 1.723 57.499 55.803 -0.045 0.000 0.844 207 Q CB -0.625 28.082 28.738 -0.052 0.000 0.898 207 Q HN 0.495 nan 8.270 nan 0.000 0.426 208 T N 1.885 116.387 114.554 -0.087 0.000 2.821 208 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 208 T C 1.844 176.519 174.700 -0.042 0.000 1.046 208 T CA 1.054 63.080 62.100 -0.123 0.000 1.139 208 T CB -0.263 68.478 68.868 -0.211 0.000 0.871 208 T HN 0.185 nan 8.240 nan 0.000 0.454 209 L N 1.143 122.353 121.223 -0.021 0.000 2.017 209 L HA 0.047 4.387 4.340 -0.000 0.000 0.208 209 L C 2.108 178.986 176.870 0.015 0.000 1.073 209 L CA 1.646 56.493 54.840 0.011 0.000 0.745 209 L CB -0.672 41.395 42.059 0.013 0.000 0.894 209 L HN 0.239 nan 8.230 nan 0.000 0.432 210 L N -0.805 120.418 121.223 -0.001 0.000 2.156 210 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 210 L C 2.560 179.431 176.870 0.001 0.000 1.095 210 L CA 0.981 55.820 54.840 -0.001 0.000 0.770 210 L CB -1.063 40.989 42.059 -0.011 0.000 0.914 210 L HN 0.372 nan 8.230 nan 0.000 0.439 211 A N 0.479 123.298 122.820 -0.002 0.000 2.067 211 A HA 0.112 4.432 4.320 -0.000 0.000 0.219 211 A C 1.467 179.065 177.584 0.023 0.000 1.158 211 A CA 0.805 52.846 52.037 0.008 0.000 0.661 211 A CB -0.464 18.537 19.000 0.002 0.000 0.801 211 A HN 0.329 nan 8.150 nan 0.000 0.452 212 A N 0.005 122.840 122.820 0.025 0.000 2.483 212 A HA 0.327 4.647 4.320 -0.000 0.000 0.238 212 A C 0.794 178.350 177.584 -0.045 0.000 1.070 212 A CA 0.283 52.324 52.037 0.006 0.000 0.770 212 A CB 0.146 19.148 19.000 0.004 0.000 1.008 212 A HN 0.545 nan 8.150 nan 0.000 0.497 213 E N 0.685 120.823 120.200 -0.103 0.000 2.216 213 E HA -0.002 4.348 4.350 -0.000 0.000 0.192 213 E C 0.117 176.502 176.600 -0.360 0.000 0.973 213 E CA 0.628 56.943 56.400 -0.143 0.000 0.851 213 E CB 0.180 29.810 29.700 -0.118 0.000 0.804 213 E HN 0.651 nan 8.360 nan 0.000 0.477 214 R N 1.493 121.642 120.500 -0.586 0.000 2.681 214 R HA 0.222 4.562 4.340 -0.000 0.000 0.277 214 R C -2.632 173.212 176.300 -0.759 0.000 1.563 214 R CA -1.470 53.760 56.100 -1.449 0.000 1.673 214 R CB 1.063 30.336 30.300 -1.711 0.000 1.258 214 R HN 0.053 nan 8.270 nan 0.000 0.650 215 P HA 0.152 nan 4.420 nan 0.000 0.275 215 P C -0.568 176.946 177.300 0.356 0.000 1.228 215 P CA -0.050 63.110 63.100 0.101 0.000 0.786 215 P CB 1.408 33.189 31.700 0.135 0.000 0.927 216 L N 2.453 123.839 121.223 0.272 0.000 2.422 216 L HA 0.522 4.862 4.340 -0.000 0.000 0.264 216 L C 0.075 177.093 176.870 0.248 0.000 0.984 216 L CA -0.963 54.055 54.840 0.298 0.000 0.819 216 L CB 2.194 44.416 42.059 0.272 0.000 1.330 216 L HN 0.236 nan 8.230 nan 0.000 0.410 217 I N 2.686 123.419 120.570 0.272 0.000 2.321 217 I HA 0.243 4.413 4.170 -0.000 0.000 0.291 217 I C -1.222 175.129 176.117 0.389 0.000 0.998 217 I CA -0.487 60.988 61.300 0.292 0.000 1.227 217 I CB 1.181 39.343 38.000 0.271 0.000 1.368 217 I HN 0.400 nan 8.210 nan 0.000 0.466 218 Y N 9.500 129.920 120.300 0.199 0.000 2.464 218 Y HA 0.393 4.943 4.550 -0.000 0.000 0.326 218 Y C -1.083 174.850 175.900 0.055 0.000 0.969 218 Y CA -1.789 56.386 58.100 0.126 0.000 1.270 218 Y CB 0.373 38.976 38.460 0.239 0.000 1.103 218 Y HN 0.459 nan 8.280 nan 0.000 0.491 219 Y N 2.816 123.240 120.300 0.206 0.000 2.496 219 Y HA 0.972 5.522 4.550 -0.000 0.000 0.331 219 Y C 0.144 176.020 175.900 -0.040 0.000 1.140 219 Y CA -1.224 56.870 58.100 -0.010 0.000 1.166 219 Y CB 1.137 39.622 38.460 0.042 0.000 1.249 219 Y HN 0.566 nan 8.280 nan 0.000 0.479 220 G N 0.663 109.474 108.800 0.018 0.000 3.175 220 G HA2 0.387 4.346 3.960 -0.000 0.000 0.255 220 G HA3 0.387 4.346 3.960 -0.000 0.000 0.255 220 G C 0.267 175.241 174.900 0.123 0.000 1.352 220 G CA -0.735 44.371 45.100 0.010 0.000 1.037 220 G HN 1.105 nan 8.290 nan 0.000 0.556 221 I N -1.560 119.061 120.570 0.085 0.000 3.001 221 I HA 0.133 4.303 4.170 -0.000 0.000 0.268 221 I C 1.989 178.149 176.117 0.071 0.000 1.267 221 I CA 0.988 62.339 61.300 0.086 0.000 1.472 221 I CB -0.252 37.781 38.000 0.055 0.000 1.089 221 I HN 0.417 nan 8.210 nan 0.000 0.468 222 G N 1.391 110.221 108.800 0.050 0.000 2.501 222 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.220 222 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.220 222 G C 1.371 176.285 174.900 0.024 0.000 1.114 222 G CA 0.591 45.709 45.100 0.029 0.000 0.757 222 G HN 0.617 nan 8.290 nan 0.000 0.559 223 A N 0.623 123.468 122.820 0.042 0.000 2.507 223 A HA 0.352 4.672 4.320 -0.000 0.000 0.270 223 A C 2.041 179.620 177.584 -0.008 0.000 1.318 223 A CA 0.430 52.472 52.037 0.008 0.000 0.924 223 A CB -0.231 18.769 19.000 -0.000 0.000 1.061 223 A HN 0.484 nan 8.150 nan 0.000 0.516 224 R N 0.035 120.550 120.500 0.024 0.000 2.193 224 R HA -0.058 4.282 4.340 -0.000 0.000 0.229 224 R C 1.118 177.414 176.300 -0.006 0.000 1.110 224 R CA 1.739 57.850 56.100 0.019 0.000 0.988 224 R CB -0.369 29.952 30.300 0.035 0.000 0.871 224 R HN 0.313 nan 8.270 nan 0.000 0.458 225 K N 0.235 120.628 120.400 -0.011 0.000 2.444 225 K HA 0.183 4.503 4.320 -0.000 0.000 0.193 225 K C 0.955 177.528 176.600 -0.045 0.000 1.024 225 K CA 0.562 56.838 56.287 -0.019 0.000 1.077 225 K CB 0.753 33.249 32.500 -0.007 0.000 0.833 225 K HN 0.289 nan 8.250 nan 0.000 0.517 226 A N 0.441 123.217 122.820 -0.073 0.000 2.500 226 A HA 0.246 4.566 4.320 -0.000 0.000 0.267 226 A C 1.715 179.202 177.584 -0.163 0.000 1.290 226 A CA 0.062 52.035 52.037 -0.106 0.000 0.928 226 A CB -0.132 18.805 19.000 -0.106 0.000 1.066 226 A HN 0.294 nan 8.150 nan 0.000 0.516 227 G N 1.071 109.779 108.800 -0.155 0.000 2.476 227 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.218 227 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.218 227 G C 1.572 176.366 174.900 -0.177 0.000 1.164 227 G CA 1.395 46.382 45.100 -0.188 0.000 0.768 227 G HN 0.584 nan 8.290 nan 0.000 0.560 228 K N 0.295 120.620 120.400 -0.126 0.000 2.026 228 K HA -0.113 4.207 4.320 -0.000 0.000 0.208 228 K C 2.472 179.001 176.600 -0.118 0.000 1.048 228 K CA 1.719 57.939 56.287 -0.111 0.000 0.929 228 K CB -0.124 32.331 32.500 -0.075 0.000 0.713 228 K HN 0.273 nan 8.250 nan 0.000 0.439 229 E N 0.825 120.959 120.200 -0.109 0.000 2.072 229 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 229 E C 1.953 178.483 176.600 -0.116 0.000 0.985 229 E CA 1.122 57.465 56.400 -0.096 0.000 0.801 229 E CB -0.119 29.534 29.700 -0.079 0.000 0.750 229 E HN 0.255 nan 8.360 nan 0.000 0.452 230 L N 0.618 121.740 121.223 -0.169 0.000 1.989 230 L HA -0.245 4.095 4.340 -0.000 0.000 0.211 230 L C 2.625 179.398 176.870 -0.163 0.000 1.071 230 L CA 1.734 56.459 54.840 -0.193 0.000 0.749 230 L CB -0.346 41.478 42.059 -0.393 0.000 0.890 230 L HN 0.201 nan 8.230 nan 0.000 0.431 231 E N -0.512 119.540 120.200 -0.246 0.000 2.106 231 E HA -0.289 4.061 4.350 -0.000 0.000 0.192 231 E C 2.185 178.645 176.600 -0.232 0.000 0.984 231 E CA 1.111 57.277 56.400 -0.391 0.000 0.806 231 E CB 0.122 29.521 29.700 -0.502 0.000 0.750 231 E HN 0.292 nan 8.360 nan 0.000 0.458 232 Q N 0.534 120.248 119.800 -0.142 0.000 2.083 232 Q HA -0.063 4.277 4.340 -0.000 0.000 0.198 232 Q C 2.136 178.107 176.000 -0.049 0.000 0.969 232 Q CA 1.160 56.917 55.803 -0.077 0.000 0.838 232 Q CB -0.189 28.510 28.738 -0.065 0.000 0.900 232 Q HN 0.357 nan 8.270 nan 0.000 0.436 233 L N -0.361 120.835 121.223 -0.046 0.000 2.012 233 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 233 L C 2.522 179.393 176.870 0.002 0.000 1.073 233 L CA 1.622 56.449 54.840 -0.022 0.000 0.748 233 L CB -0.763 41.289 42.059 -0.011 0.000 0.891 233 L HN 0.276 nan 8.230 nan 0.000 0.431 234 S N -0.236 115.496 115.700 0.054 0.000 2.353 234 S HA -0.250 4.220 4.470 -0.000 0.000 0.222 234 S C 2.026 176.678 174.600 0.087 0.000 1.035 234 S CA 1.709 60.015 58.200 0.176 0.000 1.025 234 S CB -0.062 63.364 63.200 0.377 0.000 0.902 234 S HN 0.319 nan 8.310 nan 0.000 0.440 235 K N -0.280 120.194 120.400 0.123 0.000 2.057 235 K HA -0.038 4.282 4.320 -0.000 0.000 0.207 235 K C 2.359 178.876 176.600 -0.139 0.000 1.049 235 K CA 1.773 58.108 56.287 0.080 0.000 0.931 235 K CB -0.492 32.094 32.500 0.143 0.000 0.714 235 K HN 0.355 nan 8.250 nan 0.000 0.440 236 T N 1.512 116.005 114.554 -0.101 0.000 2.770 236 T HA -0.027 4.323 4.350 -0.000 0.000 0.263 236 T C 1.685 176.281 174.700 -0.173 0.000 1.039 236 T CA 0.998 63.030 62.100 -0.113 0.000 1.142 236 T CB -0.017 68.810 68.868 -0.067 0.000 0.868 236 T HN 0.093 nan 8.240 nan 0.000 0.435 237 L N 0.124 121.244 121.223 -0.172 0.000 2.509 237 L HA 0.192 4.532 4.340 -0.000 0.000 0.222 237 L C 0.252 176.949 176.870 -0.288 0.000 1.123 237 L CA 0.050 54.791 54.840 -0.166 0.000 0.856 237 L CB -0.101 41.915 42.059 -0.072 0.000 0.985 237 L HN 0.080 nan 8.230 nan 0.000 0.456 238 K N 0.928 120.967 120.400 -0.602 0.000 3.162 238 K HA -0.125 4.195 4.320 -0.000 0.000 0.268 238 K C -0.619 175.811 176.600 -0.283 0.000 1.062 238 K CA 0.788 56.350 56.287 -1.208 0.000 0.769 238 K CB -2.291 29.579 32.500 -1.049 0.000 1.274 238 K HN 0.329 nan 8.250 nan 0.000 0.478 239 I N 1.206 121.783 120.570 0.013 0.000 2.382 239 I HA 0.224 4.394 4.170 -0.000 0.000 0.286 239 I C -2.080 174.335 176.117 0.496 0.000 1.002 239 I CA -2.404 59.091 61.300 0.324 0.000 1.135 239 I CB 1.884 40.014 38.000 0.217 0.000 1.288 239 I HN -0.177 nan 8.210 nan 0.000 0.448 240 P HA 0.172 nan 4.420 nan 0.000 0.269 240 P C -0.895 176.584 177.300 0.297 0.000 1.215 240 P CA -0.052 63.222 63.100 0.290 0.000 0.780 240 P CB 0.602 32.298 31.700 -0.007 0.000 0.898 241 L N 2.897 124.307 121.223 0.312 0.000 2.329 241 L HA 0.622 4.962 4.340 -0.000 0.000 0.279 241 L C 0.395 177.384 176.870 0.200 0.000 1.014 241 L CA -0.608 54.470 54.840 0.397 0.000 0.814 241 L CB 1.043 43.491 42.059 0.648 0.000 1.257 241 L HN 0.384 nan 8.230 nan 0.000 0.424 242 M N 1.530 121.199 119.600 0.115 0.000 2.593 242 M HA 0.803 5.283 4.480 -0.000 0.000 0.290 242 M C -0.767 175.423 176.300 -0.183 0.000 1.244 242 M CA -0.498 54.707 55.300 -0.158 0.000 0.857 242 M CB 2.445 34.828 32.600 -0.363 0.000 1.738 242 M HN 0.482 nan 8.290 nan 0.000 0.461 243 S N -0.236 115.361 115.700 -0.170 0.000 2.661 243 S HA 0.770 5.240 4.470 -0.000 0.000 0.285 243 S C -0.191 174.512 174.600 0.171 0.000 1.138 243 S CA -0.216 57.848 58.200 -0.227 0.000 0.855 243 S CB 1.580 64.522 63.200 -0.431 0.000 1.136 243 S HN 0.984 nan 8.310 nan 0.000 0.484 244 T N -0.192 114.451 114.554 0.149 0.000 2.856 244 T HA 0.170 4.520 4.350 -0.000 0.000 0.306 244 T C 0.939 175.818 174.700 0.298 0.000 1.062 244 T CA -0.022 62.238 62.100 0.267 0.000 1.083 244 T CB -0.061 68.930 68.868 0.205 0.000 0.984 244 T HN 0.830 nan 8.240 nan 0.000 0.542 245 Y N 3.264 123.717 120.300 0.255 0.000 2.081 245 Y HA 0.023 4.573 4.550 -0.000 0.000 0.280 245 Y C -1.066 175.001 175.900 0.279 0.000 1.163 245 Y CA 1.166 59.410 58.100 0.240 0.000 1.135 245 Y CB -1.971 36.626 38.460 0.228 0.000 0.970 245 Y HN 0.516 nan 8.280 nan 0.000 0.498 246 P HA -0.092 nan 4.420 nan 0.000 0.221 246 P C 1.111 178.384 177.300 -0.045 0.000 1.145 246 P CA 2.204 65.138 63.100 -0.277 0.000 0.795 246 P CB -0.332 31.247 31.700 -0.201 0.000 0.775 247 A N -0.852 122.024 122.820 0.094 0.000 2.235 247 A HA -0.057 4.263 4.320 -0.000 0.000 0.208 247 A C 1.169 178.903 177.584 0.251 0.000 1.172 247 A CA -0.010 52.134 52.037 0.178 0.000 0.786 247 A CB -1.008 18.099 19.000 0.178 0.000 0.804 247 A HN 0.089 nan 8.150 nan 0.000 0.479 248 K N -0.012 120.558 120.400 0.284 0.000 2.524 248 K HA 0.201 4.521 4.320 -0.000 0.000 0.279 248 K C 1.171 177.880 176.600 0.182 0.000 0.993 248 K CA 1.021 57.438 56.287 0.216 0.000 1.030 248 K CB -0.140 32.466 32.500 0.176 0.000 0.891 248 K HN 0.705 nan 8.250 nan 0.000 0.488 249 G N 3.847 112.647 108.800 0.001 0.000 2.234 249 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.235 249 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.235 249 G C 0.887 175.802 174.900 0.024 0.000 0.997 249 G CA 0.294 45.406 45.100 0.019 0.000 0.623 249 G HN 0.655 nan 8.290 nan 0.000 0.514 250 I N 0.528 121.137 120.570 0.065 0.000 2.286 250 I HA -0.016 4.154 4.170 -0.000 0.000 0.248 250 I C 1.026 177.108 176.117 -0.059 0.000 1.115 250 I CA 1.237 62.555 61.300 0.031 0.000 1.392 250 I CB -0.119 37.936 38.000 0.093 0.000 1.065 250 I HN 0.111 nan 8.210 nan 0.000 0.418 251 V N 1.327 121.192 119.914 -0.083 0.000 2.459 251 V HA 0.503 4.623 4.120 -0.000 0.000 0.295 251 V C 0.343 176.340 176.094 -0.162 0.000 1.029 251 V CA -1.218 60.998 62.300 -0.140 0.000 0.874 251 V CB 1.416 33.167 31.823 -0.119 0.000 0.985 251 V HN 0.232 nan 8.190 nan 0.000 0.438 252 A N 2.963 125.732 122.820 -0.084 0.000 2.565 252 A HA 0.048 4.368 4.320 -0.000 0.000 0.237 252 A C 1.202 178.758 177.584 -0.047 0.000 1.053 252 A CA 0.084 52.096 52.037 -0.042 0.000 0.755 252 A CB -0.089 18.919 19.000 0.014 0.000 0.980 252 A HN 0.929 nan 8.150 nan 0.000 0.506 253 D N 1.610 121.979 120.400 -0.053 0.000 2.221 253 D HA -0.192 4.448 4.640 -0.000 0.000 0.204 253 D C 1.996 178.370 176.300 0.123 0.000 0.982 253 D CA 1.741 55.759 54.000 0.030 0.000 0.857 253 D CB -0.027 40.803 40.800 0.049 0.000 0.934 253 D HN 0.846 nan 8.370 nan 0.000 0.475 254 R N 0.286 120.840 120.500 0.090 0.000 2.237 254 R HA -0.135 4.205 4.340 -0.000 0.000 0.219 254 R C 0.907 177.282 176.300 0.124 0.000 1.080 254 R CA 0.025 56.177 56.100 0.086 0.000 0.995 254 R CB -0.773 29.564 30.300 0.062 0.000 0.875 254 R HN 0.053 nan 8.270 nan 0.000 0.462 255 Y N 3.786 124.117 120.300 0.053 0.000 2.804 255 Y HA 0.063 4.613 4.550 -0.000 0.000 0.338 255 Y C -1.687 174.258 175.900 0.076 0.000 1.252 255 Y CA -2.555 55.588 58.100 0.071 0.000 1.576 255 Y CB 0.935 39.448 38.460 0.088 0.000 1.223 255 Y HN -0.021 nan 8.280 nan 0.000 0.536 256 P HA -0.136 nan 4.420 nan 0.000 0.221 256 P C 0.298 177.215 177.300 -0.637 0.000 1.145 256 P CA 2.151 64.966 63.100 -0.474 0.000 0.795 256 P CB 0.228 31.693 31.700 -0.392 0.000 0.775 257 A N -2.598 119.609 122.820 -1.022 0.000 2.500 257 A HA 0.113 4.433 4.320 -0.000 0.000 0.267 257 A C -0.006 177.500 177.584 -0.131 0.000 1.290 257 A CA -0.345 51.315 52.037 -0.628 0.000 0.928 257 A CB -1.065 17.586 19.000 -0.580 0.000 1.066 257 A HN 0.066 nan 8.150 nan 0.000 0.516 258 Y N 1.150 121.383 120.300 -0.112 0.000 2.531 258 Y HA 0.343 4.893 4.550 -0.000 0.000 0.347 258 Y C 0.780 176.669 175.900 -0.018 0.000 1.024 258 Y CA -0.663 57.501 58.100 0.106 0.000 1.306 258 Y CB 0.397 38.995 38.460 0.230 0.000 1.149 258 Y HN 0.205 nan 8.280 nan 0.000 0.527 259 L N 5.433 126.320 121.223 -0.560 0.000 2.270 259 L HA 0.234 4.574 4.340 -0.000 0.000 0.210 259 L C 1.420 177.867 176.870 -0.706 0.000 1.104 259 L CA 0.713 55.228 54.840 -0.540 0.000 0.804 259 L CB -0.758 41.055 42.059 -0.409 0.000 0.937 259 L HN 0.985 nan 8.230 nan 0.000 0.450 260 G N 0.086 108.140 108.800 -1.244 0.000 2.428 260 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.202 260 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.202 260 G C -0.444 174.204 174.900 -0.420 0.000 1.247 260 G CA -0.261 44.370 45.100 -0.782 0.000 1.020 260 G HN 0.318 nan 8.290 nan 0.000 0.529 261 S N -0.427 115.176 115.700 -0.161 0.000 2.664 261 S HA 0.957 5.427 4.470 -0.000 0.000 0.304 261 S C 0.308 174.834 174.600 -0.122 0.000 1.099 261 S CA 0.569 58.735 58.200 -0.056 0.000 1.003 261 S CB 1.835 65.134 63.200 0.164 0.000 1.092 261 S HN 2.406 nan 8.310 nan 0.000 0.525 262 A N 0.825 123.589 122.820 -0.092 0.000 2.269 262 A HA 0.790 5.110 4.320 -0.000 0.000 0.327 262 A C 0.641 178.262 177.584 0.060 0.000 1.112 262 A CA -0.266 51.711 52.037 -0.101 0.000 0.865 262 A CB 0.045 18.913 19.000 -0.219 0.000 1.227 262 A HN 1.249 nan 8.150 nan 0.000 0.498 263 N N -1.325 117.367 118.700 -0.013 0.000 1.570 263 N HA -0.215 4.525 4.740 -0.000 0.000 0.190 263 N C 1.162 176.574 175.510 -0.162 0.000 0.844 263 N CA 1.444 54.417 53.050 -0.129 0.000 1.198 263 N CB -0.891 37.388 38.487 -0.347 0.000 1.523 263 N HN 0.741 nan 8.380 nan 0.000 0.430 264 R N 0.422 120.808 120.500 -0.189 0.000 2.140 264 R HA 0.324 4.664 4.340 -0.000 0.000 0.200 264 R C 0.213 176.546 176.300 0.056 0.000 1.069 264 R CA 0.767 56.813 56.100 -0.089 0.000 1.088 264 R CB 0.295 30.519 30.300 -0.127 0.000 1.012 264 R HN 0.227 nan 8.270 nan 0.000 0.500 265 V N 2.651 122.616 119.914 0.086 0.000 2.229 265 V HA 0.407 4.527 4.120 -0.000 0.000 0.245 265 V C -0.221 175.867 176.094 -0.010 0.000 1.243 265 V CA 0.139 62.429 62.300 -0.016 0.000 1.176 265 V CB 0.057 31.728 31.823 -0.253 0.000 1.323 265 V HN 0.411 nan 8.190 nan 0.000 0.499 266 A N 4.579 127.395 122.820 -0.006 0.000 2.599 266 A HA 0.831 5.151 4.320 -0.000 0.000 0.290 266 A C -1.168 176.373 177.584 -0.072 0.000 1.101 266 A CA -0.820 51.193 52.037 -0.041 0.000 0.674 266 A CB 1.775 20.727 19.000 -0.081 0.000 1.277 266 A HN 0.492 nan 8.150 nan 0.000 0.419 267 Q N 0.666 120.340 119.800 -0.209 0.000 2.375 267 Q HA 0.321 4.661 4.340 -0.000 0.000 0.271 267 Q C 0.337 175.855 176.000 -0.804 0.000 1.074 267 Q CA -0.792 54.747 55.803 -0.441 0.000 0.808 267 Q CB 2.674 31.246 28.738 -0.278 0.000 1.327 267 Q HN 0.868 nan 8.270 nan 0.000 0.441 268 K N 2.308 121.866 120.400 -1.403 0.000 2.059 268 K HA -0.196 4.124 4.320 -0.000 0.000 0.212 268 K C -1.066 175.110 176.600 -0.708 0.000 1.050 268 K CA 2.055 57.742 56.287 -1.001 0.000 0.927 268 K CB -0.667 31.194 32.500 -1.067 0.000 0.714 268 K HN 0.328 nan 8.250 nan 0.000 0.447 269 P HA -0.104 nan 4.420 nan 0.000 0.218 269 P C 0.860 177.920 177.300 -0.401 0.000 1.149 269 P CA 1.795 64.604 63.100 -0.486 0.000 0.817 269 P CB -0.032 31.393 31.700 -0.457 0.000 0.785 270 A N -0.351 122.207 122.820 -0.436 0.000 1.873 270 A HA -0.195 4.125 4.320 -0.000 0.000 0.215 270 A C 2.171 179.568 177.584 -0.311 0.000 1.186 270 A CA 1.701 53.512 52.037 -0.376 0.000 0.616 270 A CB -1.429 17.327 19.000 -0.407 0.000 0.823 270 A HN 0.095 nan 8.150 nan 0.000 0.442 271 N N 0.102 118.619 118.700 -0.304 0.000 2.084 271 N HA -0.147 4.593 4.740 -0.000 0.000 0.190 271 N C 1.692 177.091 175.510 -0.184 0.000 1.030 271 N CA 1.700 54.610 53.050 -0.234 0.000 0.849 271 N CB -0.427 37.923 38.487 -0.228 0.000 1.012 271 N HN 0.667 nan 8.380 nan 0.000 0.423 272 E N 0.482 120.562 120.200 -0.200 0.000 2.051 272 E HA -0.079 4.271 4.350 -0.000 0.000 0.192 272 E C 1.946 178.514 176.600 -0.053 0.000 0.991 272 E CA 1.183 57.505 56.400 -0.130 0.000 0.799 272 E CB -0.112 29.500 29.700 -0.146 0.000 0.748 272 E HN 0.355 nan 8.360 nan 0.000 0.449 273 A N 1.178 123.952 122.820 -0.078 0.000 1.898 273 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 273 A C 2.163 179.851 177.584 0.172 0.000 1.181 273 A CA 0.939 53.019 52.037 0.070 0.000 0.620 273 A CB -0.522 18.421 19.000 -0.095 0.000 0.819 273 A HN 0.220 nan 8.150 nan 0.000 0.442 274 L N -0.074 121.153 121.223 0.007 0.000 2.079 274 L HA -0.099 4.241 4.340 -0.000 0.000 0.210 274 L C 2.598 179.488 176.870 0.033 0.000 1.081 274 L CA 2.139 56.983 54.840 0.007 0.000 0.752 274 L CB -0.707 41.273 42.059 -0.132 0.000 0.896 274 L HN 0.342 nan 8.230 nan 0.000 0.433 275 A N -1.528 121.293 122.820 0.002 0.000 2.019 275 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 275 A C 2.093 179.695 177.584 0.030 0.000 1.164 275 A CA 1.479 53.515 52.037 -0.001 0.000 0.644 275 A CB -0.352 18.631 19.000 -0.027 0.000 0.805 275 A HN 0.598 nan 8.150 nan 0.000 0.449 276 Q N -0.596 119.256 119.800 0.087 0.000 2.376 276 Q HA 0.285 4.625 4.340 -0.000 0.000 0.206 276 Q C 1.034 176.994 176.000 -0.066 0.000 0.921 276 Q CA 0.687 56.534 55.803 0.073 0.000 0.911 276 Q CB -0.569 28.324 28.738 0.258 0.000 1.032 276 Q HN 0.577 nan 8.270 nan 0.000 0.510 277 A N 2.749 125.565 122.820 -0.007 0.000 2.498 277 A HA 0.046 4.366 4.320 -0.000 0.000 0.239 277 A C 0.760 178.280 177.584 -0.107 0.000 1.068 277 A CA 0.397 52.365 52.037 -0.115 0.000 0.766 277 A CB 0.167 19.224 19.000 0.094 0.000 1.003 277 A HN 0.270 nan 8.150 nan 0.000 0.497 278 D N 0.712 121.006 120.400 -0.177 0.000 2.380 278 D HA 0.084 4.723 4.640 -0.000 0.000 0.212 278 D C 0.034 176.325 176.300 -0.015 0.000 1.021 278 D CA 0.488 54.425 54.000 -0.106 0.000 0.884 278 D CB -0.052 40.662 40.800 -0.143 0.000 1.001 278 D HN 0.190 nan 8.370 nan 0.000 0.506 279 V N 1.161 121.084 119.914 0.016 0.000 2.638 279 V HA 0.412 4.531 4.120 -0.000 0.000 0.306 279 V C -0.609 175.538 176.094 0.089 0.000 1.052 279 V CA -0.968 61.389 62.300 0.095 0.000 0.885 279 V CB 2.566 34.463 31.823 0.124 0.000 0.999 279 V HN -0.076 nan 8.190 nan 0.000 0.424 280 V N 5.536 125.491 119.914 0.068 0.000 2.448 280 V HA 0.456 4.576 4.120 -0.000 0.000 0.295 280 V C -0.545 175.476 176.094 -0.122 0.000 1.025 280 V CA -0.639 61.682 62.300 0.036 0.000 0.859 280 V CB 1.843 33.714 31.823 0.080 0.000 0.988 280 V HN 0.668 nan 8.190 nan 0.000 0.431 281 L N 6.022 127.243 121.223 -0.003 0.000 2.259 281 L HA 0.528 4.868 4.340 -0.000 0.000 0.288 281 L C -0.921 175.971 176.870 0.038 0.000 1.051 281 L CA 0.031 54.854 54.840 -0.028 0.000 0.824 281 L CB 0.418 42.500 42.059 0.039 0.000 1.206 281 L HN 0.531 nan 8.230 nan 0.000 0.429 282 F N 6.047 125.800 119.950 -0.328 0.000 2.334 282 F HA 0.580 5.106 4.527 -0.000 0.000 0.367 282 F C -0.684 175.039 175.800 -0.129 0.000 1.115 282 F CA -0.536 57.295 58.000 -0.282 0.000 1.116 282 F CB 1.005 39.644 39.000 -0.603 0.000 1.230 282 F HN 0.190 nan 8.300 nan 0.000 0.484 283 V N 5.003 124.792 119.914 -0.209 0.000 2.483 283 V HA 0.510 4.630 4.120 -0.000 0.000 0.297 283 V C 0.467 176.466 176.094 -0.159 0.000 1.027 283 V CA -0.642 61.592 62.300 -0.110 0.000 0.855 283 V CB 1.082 32.910 31.823 0.008 0.000 0.995 283 V HN 0.964 nan 8.190 nan 0.000 0.424 284 G N 3.433 112.154 108.800 -0.131 0.000 2.366 284 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.299 284 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.299 284 G C -0.036 174.760 174.900 -0.174 0.000 1.020 284 G CA 0.646 45.688 45.100 -0.097 0.000 1.026 284 G HN 0.730 nan 8.290 nan 0.000 0.512 285 N N -0.290 118.188 118.700 -0.371 0.000 2.352 285 N HA 0.403 5.143 4.740 -0.000 0.000 0.291 285 N C -0.357 174.958 175.510 -0.325 0.000 1.040 285 N CA -0.912 51.786 53.050 -0.587 0.000 0.864 285 N CB 1.488 39.084 38.487 -1.485 0.000 1.440 285 N HN 0.075 nan 8.380 nan 0.000 0.483 286 N N 2.794 121.481 118.700 -0.022 0.000 2.497 286 N HA 0.069 4.809 4.740 -0.000 0.000 0.284 286 N C -1.187 174.494 175.510 0.286 0.000 1.459 286 N CA -0.421 52.742 53.050 0.187 0.000 0.899 286 N CB -0.249 38.317 38.487 0.131 0.000 1.316 286 N HN 0.447 nan 8.380 nan 0.000 0.500 287 Y N 2.096 122.526 120.300 0.217 0.000 2.861 287 Y HA -0.053 4.497 4.550 -0.000 0.000 0.375 287 Y C -1.355 174.668 175.900 0.205 0.000 1.293 287 Y CA -0.752 57.511 58.100 0.271 0.000 1.651 287 Y CB 0.666 39.382 38.460 0.427 0.000 1.156 287 Y HN 0.319 nan 8.280 nan 0.000 0.533 288 P HA -0.060 nan 4.420 nan 0.000 0.241 288 P C 0.445 177.361 177.300 -0.640 0.000 1.191 288 P CA 0.963 63.801 63.100 -0.436 0.000 0.771 288 P CB -0.018 31.358 31.700 -0.539 0.000 0.929 289 F N -0.260 119.293 119.950 -0.661 0.000 2.727 289 F HA 0.360 4.887 4.527 -0.000 0.000 0.302 289 F C 2.349 177.962 175.800 -0.312 0.000 1.097 289 F CA -0.067 57.618 58.000 -0.525 0.000 1.330 289 F CB -0.927 37.699 39.000 -0.624 0.000 1.084 289 F HN -0.077 nan 8.300 nan 0.000 0.578 290 A N 0.752 123.551 122.820 -0.034 0.000 1.859 290 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 290 A C 2.087 179.720 177.584 0.082 0.000 1.198 290 A CA 2.265 54.416 52.037 0.190 0.000 0.629 290 A CB -0.641 18.608 19.000 0.417 0.000 0.830 290 A HN 0.351 nan 8.150 nan 0.000 0.446 291 E N -0.382 119.866 120.200 0.080 0.000 2.046 291 E HA -0.084 4.266 4.350 -0.000 0.000 0.190 291 E C 2.087 178.712 176.600 0.042 0.000 0.982 291 E CA 1.510 57.948 56.400 0.064 0.000 0.800 291 E CB -0.527 29.204 29.700 0.051 0.000 0.756 291 E HN 0.601 nan 8.360 nan 0.000 0.449 292 V N -0.186 119.752 119.914 0.039 0.000 2.515 292 V HA -0.169 3.951 4.120 -0.000 0.000 0.250 292 V C 2.019 178.141 176.094 0.046 0.000 1.058 292 V CA 1.817 64.144 62.300 0.045 0.000 1.064 292 V CB -0.698 31.161 31.823 0.060 0.000 0.675 292 V HN 0.305 nan 8.190 nan 0.000 0.461 293 S N -1.046 114.686 115.700 0.053 0.000 2.575 293 S HA 0.165 4.635 4.470 -0.000 0.000 0.215 293 S C 0.930 175.521 174.600 -0.014 0.000 0.966 293 S CA 0.211 58.424 58.200 0.022 0.000 0.911 293 S CB -0.588 62.634 63.200 0.036 0.000 0.780 293 S HN 0.699 nan 8.310 nan 0.000 0.514 294 K N 0.353 120.746 120.400 -0.012 0.000 3.077 294 K HA -0.216 4.104 4.320 -0.000 0.000 0.264 294 K C 1.072 177.607 176.600 -0.107 0.000 1.008 294 K CA 0.352 56.624 56.287 -0.026 0.000 0.740 294 K CB -2.023 30.471 32.500 -0.011 0.000 1.273 294 K HN 0.561 nan 8.250 nan 0.000 0.477 295 A N 0.037 122.718 122.820 -0.231 0.000 1.978 295 A HA -0.101 4.219 4.320 -0.000 0.000 0.220 295 A C 1.209 178.452 177.584 -0.567 0.000 1.170 295 A CA 1.383 53.144 52.037 -0.460 0.000 0.636 295 A CB -0.224 18.385 19.000 -0.652 0.000 0.810 295 A HN 0.368 nan 8.150 nan 0.000 0.448 296 F N -0.098 119.775 119.950 -0.129 0.000 2.647 296 F HA 0.189 4.716 4.527 -0.000 0.000 0.300 296 F C 1.743 177.404 175.800 -0.232 0.000 1.106 296 F CA -0.086 57.728 58.000 -0.310 0.000 1.313 296 F CB -0.023 38.444 39.000 -0.889 0.000 1.007 296 F HN 0.337 nan 8.300 nan 0.000 0.536 297 K N -0.124 120.287 120.400 0.018 0.000 2.211 297 K HA -0.159 4.160 4.320 -0.000 0.000 0.204 297 K C 0.704 177.338 176.600 0.056 0.000 1.047 297 K CA 1.805 58.130 56.287 0.063 0.000 0.935 297 K CB -0.167 32.348 32.500 0.026 0.000 0.728 297 K HN 0.146 nan 8.250 nan 0.000 0.452 298 N N 0.672 119.394 118.700 0.037 0.000 2.236 298 N HA 0.021 4.761 4.740 -0.000 0.000 0.196 298 N C -0.465 175.060 175.510 0.025 0.000 1.114 298 N CA 0.252 53.314 53.050 0.020 0.000 0.859 298 N CB 0.739 39.228 38.487 0.003 0.000 0.982 298 N HN 0.144 nan 8.380 nan 0.000 0.493 299 T N 0.858 115.454 114.554 0.070 0.000 2.870 299 T HA 0.107 4.457 4.350 -0.000 0.000 0.300 299 T C 1.451 176.170 174.700 0.033 0.000 0.989 299 T CA -0.131 62.020 62.100 0.084 0.000 1.139 299 T CB 2.223 71.196 68.868 0.174 0.000 0.920 299 T HN 0.143 nan 8.240 nan 0.000 0.537 300 R N 1.948 122.403 120.500 -0.074 0.000 2.057 300 R HA 0.039 4.379 4.340 -0.000 0.000 0.224 300 R C -0.384 175.692 176.300 -0.372 0.000 1.136 300 R CA 0.983 56.903 56.100 -0.299 0.000 0.968 300 R CB 0.203 30.220 30.300 -0.472 0.000 0.863 300 R HN 0.604 nan 8.270 nan 0.000 0.433 301 Y N -0.923 119.433 120.300 0.094 0.000 2.376 301 Y HA 0.351 4.901 4.550 -0.000 0.000 0.340 301 Y C -1.155 174.837 175.900 0.152 0.000 0.965 301 Y CA -1.321 56.844 58.100 0.108 0.000 1.078 301 Y CB 1.527 40.019 38.460 0.053 0.000 1.193 301 Y HN -0.046 nan 8.280 nan 0.000 0.452 302 F N 4.836 124.886 119.950 0.168 0.000 2.427 302 F HA 0.685 5.212 4.527 -0.000 0.000 0.348 302 F C -1.411 174.419 175.800 0.050 0.000 1.125 302 F CA -0.961 57.062 58.000 0.037 0.000 0.989 302 F CB 0.587 39.600 39.000 0.021 0.000 1.165 302 F HN 0.330 nan 8.300 nan 0.000 0.442 303 L N 5.532 126.588 121.223 -0.277 0.000 2.334 303 L HA 0.583 4.923 4.340 -0.000 0.000 0.276 303 L C -0.732 176.006 176.870 -0.219 0.000 1.014 303 L CA -0.783 53.971 54.840 -0.144 0.000 0.815 303 L CB 1.930 43.943 42.059 -0.076 0.000 1.268 303 L HN 0.557 nan 8.230 nan 0.000 0.428 304 Q N 2.771 122.540 119.800 -0.052 0.000 2.347 304 Q HA 0.649 4.988 4.340 -0.000 0.000 0.271 304 Q C -1.701 174.319 176.000 0.032 0.000 1.064 304 Q CA -0.623 55.193 55.803 0.022 0.000 0.800 304 Q CB 2.814 31.646 28.738 0.158 0.000 1.304 304 Q HN 0.612 nan 8.270 nan 0.000 0.438 305 I N 2.915 123.500 120.570 0.025 0.000 2.418 305 I HA 0.464 4.633 4.170 -0.000 0.000 0.287 305 I C -0.880 175.245 176.117 0.013 0.000 1.008 305 I CA -0.485 60.824 61.300 0.014 0.000 1.104 305 I CB 1.826 39.825 38.000 -0.002 0.000 1.264 305 I HN 0.523 nan 8.210 nan 0.000 0.438 306 D N 4.844 125.258 120.400 0.023 0.000 2.736 306 D HA 0.319 4.959 4.640 -0.000 0.000 0.223 306 D C 0.095 176.403 176.300 0.014 0.000 1.231 306 D CA -0.473 53.538 54.000 0.017 0.000 0.818 306 D CB 3.048 43.873 40.800 0.041 0.000 1.587 306 D HN 0.476 nan 8.370 nan 0.000 0.463 307 I N 0.849 121.422 120.570 0.005 0.000 3.059 307 I HA -0.055 4.115 4.170 -0.000 0.000 0.270 307 I C 0.082 176.202 176.117 0.006 0.000 1.238 307 I CA 0.532 61.834 61.300 0.004 0.000 1.478 307 I CB 0.380 38.380 38.000 0.001 0.000 1.097 307 I HN 0.190 nan 8.210 nan 0.000 0.455 308 D N 0.265 120.668 120.400 0.006 0.000 2.392 308 D HA 0.200 4.840 4.640 -0.000 0.000 0.228 308 D C -1.781 174.531 176.300 0.020 0.000 1.074 308 D CA -2.544 51.460 54.000 0.006 0.000 0.838 308 D CB 1.716 42.509 40.800 -0.012 0.000 1.067 308 D HN -0.101 nan 8.370 nan 0.000 0.511 309 P HA -0.129 nan 4.420 nan 0.000 0.217 309 P C 0.966 178.284 177.300 0.030 0.000 1.148 309 P CA 1.214 64.330 63.100 0.026 0.000 0.828 309 P CB 0.190 31.902 31.700 0.020 0.000 0.783 310 A N -0.534 122.301 122.820 0.025 0.000 2.125 310 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 310 A C 1.902 179.513 177.584 0.044 0.000 1.156 310 A CA 1.472 53.526 52.037 0.028 0.000 0.671 310 A CB -0.701 18.309 19.000 0.017 0.000 0.794 310 A HN 0.078 nan 8.150 nan 0.000 0.459 311 K N -0.524 119.909 120.400 0.055 0.000 2.361 311 K HA 0.257 4.576 4.320 -0.000 0.000 0.194 311 K C 0.110 176.781 176.600 0.118 0.000 1.032 311 K CA 0.009 56.351 56.287 0.091 0.000 1.048 311 K CB -0.157 32.397 32.500 0.090 0.000 0.842 311 K HN 0.461 nan 8.250 nan 0.000 0.526 312 L N 1.474 122.751 121.223 0.090 0.000 2.530 312 L HA 0.093 4.433 4.340 -0.000 0.000 0.273 312 L C 1.084 178.011 176.870 0.096 0.000 1.141 312 L CA 0.306 55.205 54.840 0.098 0.000 0.905 312 L CB -0.206 41.894 42.059 0.068 0.000 1.202 312 L HN 0.440 nan 8.230 nan 0.000 0.473 313 G N 2.515 111.394 108.800 0.131 0.000 2.179 313 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.257 313 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.257 313 G C 1.114 176.050 174.900 0.060 0.000 1.010 313 G CA 0.782 45.939 45.100 0.094 0.000 0.736 313 G HN 0.785 nan 8.290 nan 0.000 0.513 314 K N -0.393 120.067 120.400 0.100 0.000 2.025 314 K HA 0.002 4.322 4.320 -0.000 0.000 0.207 314 K C 2.477 179.118 176.600 0.069 0.000 1.049 314 K CA 1.079 57.416 56.287 0.085 0.000 0.933 314 K CB -0.137 32.434 32.500 0.118 0.000 0.714 314 K HN 0.263 nan 8.250 nan 0.000 0.438 315 R N -0.525 120.027 120.500 0.087 0.000 2.254 315 R HA 0.140 4.480 4.340 -0.000 0.000 0.195 315 R C 0.255 176.527 176.300 -0.046 0.000 0.957 315 R CA 0.435 56.576 56.100 0.067 0.000 1.024 315 R CB 0.190 30.591 30.300 0.168 0.000 0.952 315 R HN 0.392 nan 8.270 nan 0.000 0.484 316 H N -0.408 118.431 119.070 -0.386 0.000 3.060 316 H HA 0.118 4.674 4.556 -0.000 0.000 0.330 316 H C -1.174 173.902 175.328 -0.420 0.000 1.305 316 H CA -0.752 54.949 56.048 -0.578 0.000 1.209 316 H CB 2.092 31.025 29.762 -1.381 0.000 1.913 316 H HN -0.184 nan 8.280 nan 0.000 0.534 317 K N 2.111 122.079 120.400 -0.720 0.000 2.472 317 K HA 0.092 4.412 4.320 -0.000 0.000 0.280 317 K C -0.912 175.587 176.600 -0.168 0.000 1.028 317 K CA 0.591 56.650 56.287 -0.380 0.000 1.045 317 K CB 0.401 32.689 32.500 -0.353 0.000 0.902 317 K HN 0.407 nan 8.250 nan 0.000 0.478 318 T N 4.430 118.998 114.554 0.023 0.000 2.807 318 T HA 0.157 4.507 4.350 -0.000 0.000 0.279 318 T C 0.117 174.905 174.700 0.147 0.000 0.993 318 T CA -0.845 61.381 62.100 0.210 0.000 0.970 318 T CB 1.436 70.457 68.868 0.255 0.000 0.950 318 T HN 0.614 nan 8.240 nan 0.000 0.441 319 D N 1.908 122.419 120.400 0.184 0.000 2.120 319 D HA 0.083 4.722 4.640 -0.000 0.000 0.202 319 D C 0.452 176.792 176.300 0.067 0.000 0.972 319 D CA 1.149 55.225 54.000 0.128 0.000 0.837 319 D CB 0.561 41.468 40.800 0.178 0.000 0.989 319 D HN 0.444 nan 8.370 nan 0.000 0.469 320 I N 0.391 120.999 120.570 0.063 0.000 2.512 320 I HA 0.371 4.541 4.170 -0.000 0.000 0.287 320 I C -1.007 175.138 176.117 0.046 0.000 1.069 320 I CA -0.780 60.539 61.300 0.032 0.000 1.056 320 I CB 2.406 40.404 38.000 -0.003 0.000 1.229 320 I HN -0.214 nan 8.210 nan 0.000 0.429 321 A N 6.398 129.248 122.820 0.050 0.000 2.285 321 A HA 0.749 5.069 4.320 -0.000 0.000 0.310 321 A C -0.739 176.867 177.584 0.038 0.000 1.266 321 A CA -0.521 51.552 52.037 0.059 0.000 0.832 321 A CB 1.082 20.132 19.000 0.083 0.000 1.163 321 A HN 0.430 nan 8.150 nan 0.000 0.499 322 V N 3.751 123.683 119.914 0.030 0.000 2.383 322 V HA 0.233 4.353 4.120 -0.000 0.000 0.275 322 V C -0.131 175.975 176.094 0.021 0.000 1.036 322 V CA -0.389 61.922 62.300 0.018 0.000 0.889 322 V CB 1.157 32.984 31.823 0.008 0.000 0.985 322 V HN 0.781 nan 8.190 nan 0.000 0.459 323 L N 6.223 127.457 121.223 0.018 0.000 2.295 323 L HA 0.756 5.096 4.340 -0.000 0.000 0.288 323 L C 0.183 177.059 176.870 0.009 0.000 1.079 323 L CA 0.713 55.563 54.840 0.017 0.000 0.830 323 L CB -0.011 42.058 42.059 0.017 0.000 1.200 323 L HN 0.862 nan 8.230 nan 0.000 0.438 324 A N 3.430 126.255 122.820 0.007 0.000 2.544 324 A HA 0.381 4.701 4.320 -0.000 0.000 0.291 324 A C -1.474 176.110 177.584 -0.000 0.000 1.055 324 A CA -0.788 51.250 52.037 0.002 0.000 0.651 324 A CB 0.367 19.366 19.000 -0.001 0.000 1.296 324 A HN 0.579 nan 8.150 nan 0.000 0.431 325 D N 0.777 121.175 120.400 -0.003 0.000 2.425 325 D HA 0.495 5.135 4.640 -0.000 0.000 0.247 325 D C 1.294 177.588 176.300 -0.009 0.000 1.147 325 D CA 0.822 54.819 54.000 -0.005 0.000 0.879 325 D CB 1.371 42.167 40.800 -0.005 0.000 1.179 325 D HN 0.834 nan 8.370 nan 0.000 0.456 326 A N 3.797 126.611 122.820 -0.010 0.000 1.865 326 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 326 A C 1.964 179.534 177.584 -0.024 0.000 1.191 326 A CA 1.621 53.648 52.037 -0.017 0.000 0.623 326 A CB -0.757 18.233 19.000 -0.017 0.000 0.826 326 A HN 0.810 nan 8.150 nan 0.000 0.444 327 Q N -0.176 119.608 119.800 -0.026 0.000 2.050 327 Q HA -0.209 4.131 4.340 -0.000 0.000 0.202 327 Q C 2.028 178.012 176.000 -0.027 0.000 0.980 327 Q CA 1.864 57.647 55.803 -0.032 0.000 0.840 327 Q CB -0.183 28.537 28.738 -0.029 0.000 0.898 327 Q HN 0.692 nan 8.270 nan 0.000 0.424 328 K N -0.485 119.903 120.400 -0.020 0.000 2.044 328 K HA -0.135 4.184 4.320 -0.000 0.000 0.210 328 K C 2.136 178.726 176.600 -0.018 0.000 1.049 328 K CA 1.959 58.236 56.287 -0.017 0.000 0.927 328 K CB -0.159 32.333 32.500 -0.013 0.000 0.713 328 K HN 0.268 nan 8.250 nan 0.000 0.443 329 T N 1.905 116.449 114.554 -0.017 0.000 2.737 329 T HA -0.062 4.288 4.350 -0.000 0.000 0.265 329 T C 1.943 176.632 174.700 -0.019 0.000 1.038 329 T CA 0.955 63.046 62.100 -0.015 0.000 1.144 329 T CB -0.185 68.676 68.868 -0.012 0.000 0.866 329 T HN 0.090 nan 8.240 nan 0.000 0.434 330 L N 0.884 122.093 121.223 -0.025 0.000 2.083 330 L HA -0.056 4.284 4.340 -0.000 0.000 0.209 330 L C 3.020 179.871 176.870 -0.031 0.000 1.083 330 L CA 1.109 55.931 54.840 -0.030 0.000 0.752 330 L CB -0.649 41.383 42.059 -0.044 0.000 0.899 330 L HN 0.244 nan 8.230 nan 0.000 0.433 331 A N -0.024 122.778 122.820 -0.031 0.000 1.930 331 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 331 A C 2.535 180.105 177.584 -0.024 0.000 1.175 331 A CA 1.560 53.580 52.037 -0.029 0.000 0.627 331 A CB -0.609 18.375 19.000 -0.027 0.000 0.815 331 A HN 0.383 nan 8.150 nan 0.000 0.443 332 A N -0.023 122.785 122.820 -0.021 0.000 1.930 332 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 332 A C 2.088 179.661 177.584 -0.018 0.000 1.175 332 A CA 1.422 53.448 52.037 -0.018 0.000 0.627 332 A CB -0.559 18.431 19.000 -0.016 0.000 0.815 332 A HN 0.498 nan 8.150 nan 0.000 0.443 333 I N -0.955 119.604 120.570 -0.019 0.000 2.142 333 I HA -0.223 3.947 4.170 -0.000 0.000 0.240 333 I C 2.381 178.486 176.117 -0.020 0.000 1.078 333 I CA 1.150 62.439 61.300 -0.018 0.000 1.343 333 I CB -0.329 37.662 38.000 -0.015 0.000 1.046 333 I HN 0.346 nan 8.210 nan 0.000 0.405 334 L N 1.289 122.498 121.223 -0.023 0.000 2.079 334 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 334 L C 2.451 179.306 176.870 -0.024 0.000 1.081 334 L CA 2.056 56.880 54.840 -0.026 0.000 0.752 334 L CB -0.732 41.309 42.059 -0.031 0.000 0.896 334 L HN 0.216 nan 8.230 nan 0.000 0.433 335 A N -0.919 121.888 122.820 -0.022 0.000 2.119 335 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 335 A C 1.961 179.534 177.584 -0.018 0.000 1.153 335 A CA 1.270 53.296 52.037 -0.019 0.000 0.692 335 A CB -0.492 18.497 19.000 -0.018 0.000 0.799 335 A HN 0.760 nan 8.150 nan 0.000 0.458 336 Q N -0.352 119.437 119.800 -0.018 0.000 2.219 336 Q HA 0.363 4.703 4.340 -0.000 0.000 0.209 336 Q C 0.060 176.048 176.000 -0.019 0.000 0.854 336 Q CA 0.253 56.046 55.803 -0.018 0.000 0.960 336 Q CB -0.147 28.581 28.738 -0.017 0.000 1.116 336 Q HN 0.486 nan 8.270 nan 0.000 0.500 337 V N -1.679 118.223 119.914 -0.021 0.000 3.046 337 V HA 0.914 5.034 4.120 -0.000 0.000 0.316 337 V C -0.423 175.656 176.094 -0.026 0.000 1.104 337 V CA -0.195 62.091 62.300 -0.024 0.000 1.006 337 V CB 1.851 33.658 31.823 -0.026 0.000 1.058 337 V HN 0.335 nan 8.190 nan 0.000 0.440 338 S N -0.018 115.665 115.700 -0.029 0.000 2.720 338 S HA 0.637 5.107 4.470 -0.000 0.000 0.287 338 S C -0.487 174.087 174.600 -0.042 0.000 1.168 338 S CA -0.611 57.570 58.200 -0.032 0.000 0.832 338 S CB 1.272 64.457 63.200 -0.025 0.000 1.166 338 S HN 1.294 nan 8.310 nan 0.000 0.493 339 E N 0.834 121.007 120.200 -0.044 0.000 2.608 339 E HA 0.045 4.395 4.350 -0.000 0.000 0.259 339 E C -0.506 176.056 176.600 -0.063 0.000 0.951 339 E CA 0.742 57.107 56.400 -0.058 0.000 0.945 339 E CB 0.268 29.941 29.700 -0.046 0.000 0.916 339 E HN 0.482 nan 8.360 nan 0.000 0.477 340 R N 4.023 124.467 120.500 -0.094 0.000 2.637 340 R HA 0.299 4.639 4.340 -0.000 0.000 0.291 340 R C -0.243 175.987 176.300 -0.116 0.000 0.963 340 R CA -0.878 55.167 56.100 -0.091 0.000 0.901 340 R CB 1.398 31.639 30.300 -0.098 0.000 1.160 340 R HN 0.616 nan 8.270 nan 0.000 0.457 341 E N 0.987 121.142 120.200 -0.075 0.000 2.404 341 E HA -0.011 4.339 4.350 -0.000 0.000 0.261 341 E C -0.090 176.454 176.600 -0.093 0.000 1.074 341 E CA -0.012 56.350 56.400 -0.064 0.000 0.917 341 E CB 0.880 30.570 29.700 -0.017 0.000 0.965 341 E HN 0.379 nan 8.360 nan 0.000 0.433 342 S N 1.484 117.138 115.700 -0.076 0.000 2.599 342 S HA -0.044 4.426 4.470 -0.000 0.000 0.303 342 S C -0.096 174.538 174.600 0.057 0.000 1.267 342 S CA 0.127 58.317 58.200 -0.015 0.000 1.055 342 S CB 0.036 63.326 63.200 0.150 0.000 0.790 342 S HN 0.526 nan 8.310 nan 0.000 0.500 343 T N 3.083 117.708 114.554 0.118 0.000 2.942 343 T HA 0.572 4.922 4.350 -0.000 0.000 0.289 343 T C -2.220 172.579 174.700 0.165 0.000 1.044 343 T CA -1.929 60.261 62.100 0.149 0.000 1.023 343 T CB 1.296 70.273 68.868 0.182 0.000 1.123 343 T HN 0.316 nan 8.240 nan 0.000 0.512 344 P HA -0.088 nan 4.420 nan 0.000 0.216 344 P C 1.299 178.690 177.300 0.152 0.000 1.150 344 P CA 0.871 64.061 63.100 0.151 0.000 0.843 344 P CB -0.042 31.801 31.700 0.239 0.000 0.787 345 W N -0.655 120.683 121.300 0.064 0.000 2.358 345 W HA -0.165 4.495 4.660 -0.000 0.000 0.303 345 W C 1.922 178.482 176.519 0.068 0.000 1.208 345 W CA 0.834 58.220 57.345 0.067 0.000 1.274 345 W CB -0.951 28.561 29.460 0.087 0.000 1.138 345 W HN 0.075 nan 8.180 nan 0.000 0.515 346 W N 1.815 123.038 121.300 -0.129 0.000 2.354 346 W HA -0.242 4.417 4.660 -0.000 0.000 0.315 346 W C 2.182 178.470 176.519 -0.384 0.000 1.206 346 W CA 1.558 58.744 57.345 -0.266 0.000 1.290 346 W CB -0.490 28.905 29.460 -0.109 0.000 1.152 346 W HN -0.031 nan 8.180 nan 0.000 0.489 347 Q N 0.411 119.971 119.800 -0.400 0.000 2.124 347 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 347 Q C 2.402 177.853 176.000 -0.916 0.000 0.977 347 Q CA 1.793 57.080 55.803 -0.860 0.000 0.850 347 Q CB -0.995 26.966 28.738 -1.296 0.000 0.901 347 Q HN 0.402 nan 8.270 nan 0.000 0.429 348 A N 1.717 124.172 122.820 -0.609 0.000 1.873 348 A HA -0.180 4.140 4.320 -0.000 0.000 0.215 348 A C 1.926 179.300 177.584 -0.350 0.000 1.186 348 A CA 1.398 53.319 52.037 -0.194 0.000 0.616 348 A CB -0.496 18.536 19.000 0.053 0.000 0.823 348 A HN 0.327 nan 8.150 nan 0.000 0.442 349 N N 0.112 118.478 118.700 -0.557 0.000 2.166 349 N HA -0.100 4.640 4.740 -0.000 0.000 0.186 349 N C 1.754 176.910 175.510 -0.591 0.000 1.019 349 N CA 1.399 54.080 53.050 -0.614 0.000 0.856 349 N CB -0.373 37.643 38.487 -0.785 0.000 0.993 349 N HN 0.491 nan 8.380 nan 0.000 0.426 350 L N 0.848 121.651 121.223 -0.700 0.000 2.046 350 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 350 L C 2.527 179.095 176.870 -0.503 0.000 1.077 350 L CA 1.122 55.567 54.840 -0.658 0.000 0.747 350 L CB -0.482 41.121 42.059 -0.759 0.000 0.896 350 L HN 0.117 nan 8.230 nan 0.000 0.432 351 A N -0.003 122.507 122.820 -0.516 0.000 1.930 351 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 351 A C 2.057 179.115 177.584 -0.877 0.000 1.175 351 A CA 1.929 53.607 52.037 -0.598 0.000 0.627 351 A CB -0.637 18.054 19.000 -0.515 0.000 0.815 351 A HN 0.429 nan 8.150 nan 0.000 0.443 352 N N 0.186 118.404 118.700 -0.803 0.000 2.120 352 N HA -0.132 4.608 4.740 -0.000 0.000 0.188 352 N C 1.509 176.872 175.510 -0.246 0.000 1.024 352 N CA 1.756 54.516 53.050 -0.482 0.000 0.852 352 N CB -0.370 37.982 38.487 -0.226 0.000 1.003 352 N HN 0.165 nan 8.380 nan 0.000 0.424 353 V N 0.985 120.737 119.914 -0.269 0.000 2.343 353 V HA -0.188 3.932 4.120 -0.000 0.000 0.247 353 V C 2.289 178.344 176.094 -0.066 0.000 1.051 353 V CA 1.480 63.697 62.300 -0.139 0.000 1.036 353 V CB -0.400 31.290 31.823 -0.222 0.000 0.654 353 V HN 0.352 nan 8.190 nan 0.000 0.451 354 K N 0.136 120.436 120.400 -0.166 0.000 2.063 354 K HA -0.227 4.092 4.320 -0.000 0.000 0.208 354 K C 2.166 178.734 176.600 -0.053 0.000 1.048 354 K CA 1.711 57.925 56.287 -0.121 0.000 0.928 354 K CB -0.428 31.974 32.500 -0.162 0.000 0.713 354 K HN 0.531 nan 8.250 nan 0.000 0.442 355 N N 0.521 119.189 118.700 -0.054 0.000 2.142 355 N HA -0.199 4.541 4.740 -0.000 0.000 0.186 355 N C 1.739 177.341 175.510 0.154 0.000 1.023 355 N CA 0.974 54.060 53.050 0.061 0.000 0.852 355 N CB -0.125 38.435 38.487 0.122 0.000 0.998 355 N HN 0.410 nan 8.380 nan 0.000 0.424 356 W N 1.990 123.268 121.300 -0.036 0.000 2.355 356 W HA -0.112 4.548 4.660 -0.000 0.000 0.309 356 W C 1.893 178.436 176.519 0.040 0.000 1.206 356 W CA 0.810 58.156 57.345 0.002 0.000 1.284 356 W CB -0.143 29.277 29.460 -0.066 0.000 1.145 356 W HN 0.106 nan 8.180 nan 0.000 0.502 357 R N 0.253 120.718 120.500 -0.058 0.000 2.115 357 R HA -0.112 4.228 4.340 -0.000 0.000 0.230 357 R C 2.525 178.720 176.300 -0.176 0.000 1.111 357 R CA 1.468 57.455 56.100 -0.188 0.000 0.976 357 R CB -0.762 29.493 30.300 -0.076 0.000 0.870 357 R HN 0.146 nan 8.270 nan 0.000 0.445 358 A N 0.629 123.397 122.820 -0.087 0.000 1.902 358 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 358 A C 1.956 179.484 177.584 -0.093 0.000 1.181 358 A CA 1.232 53.228 52.037 -0.069 0.000 0.623 358 A CB -0.736 18.255 19.000 -0.015 0.000 0.818 358 A HN 0.456 nan 8.150 nan 0.000 0.443 359 Y N 0.716 120.893 120.300 -0.204 0.000 2.053 359 Y HA -0.245 4.305 4.550 -0.000 0.000 0.277 359 Y C 1.975 177.650 175.900 -0.374 0.000 1.159 359 Y CA 2.095 60.038 58.100 -0.262 0.000 1.125 359 Y CB -0.487 37.813 38.460 -0.266 0.000 0.969 359 Y HN 0.215 nan 8.280 nan 0.000 0.492 360 L N -0.173 120.652 121.223 -0.664 0.000 2.042 360 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 360 L C 2.816 179.448 176.870 -0.397 0.000 1.076 360 L CA 1.244 55.671 54.840 -0.688 0.000 0.749 360 L CB -1.109 40.533 42.059 -0.695 0.000 0.893 360 L HN 0.401 nan 8.230 nan 0.000 0.432 361 A N 0.264 122.909 122.820 -0.292 0.000 1.933 361 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 361 A C 2.532 179.996 177.584 -0.200 0.000 1.175 361 A CA 1.988 53.911 52.037 -0.189 0.000 0.628 361 A CB -0.726 18.193 19.000 -0.136 0.000 0.814 361 A HN 0.543 nan 8.150 nan 0.000 0.444 362 S N 0.067 115.622 115.700 -0.241 0.000 2.400 362 S HA -0.128 4.342 4.470 -0.000 0.000 0.232 362 S C 1.838 176.284 174.600 -0.256 0.000 1.025 362 S CA 1.569 59.641 58.200 -0.213 0.000 0.993 362 S CB -0.703 62.383 63.200 -0.189 0.000 0.808 362 S HN 0.476 nan 8.310 nan 0.000 0.478 363 L N 0.854 121.837 121.223 -0.400 0.000 2.095 363 L HA 0.047 4.387 4.340 -0.000 0.000 0.204 363 L C 2.926 179.677 176.870 -0.199 0.000 1.080 363 L CA 1.443 56.042 54.840 -0.402 0.000 0.759 363 L CB -0.619 40.921 42.059 -0.865 0.000 0.914 363 L HN 0.331 nan 8.230 nan 0.000 0.439 364 E N 0.193 120.279 120.200 -0.191 0.000 2.110 364 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 364 E C 1.140 177.672 176.600 -0.112 0.000 0.988 364 E CA 1.121 57.437 56.400 -0.140 0.000 0.804 364 E CB 0.020 29.651 29.700 -0.115 0.000 0.745 364 E HN 0.420 nan 8.360 nan 0.000 0.458 365 D N 0.610 120.943 120.400 -0.111 0.000 2.340 365 D HA 0.017 4.656 4.640 -0.000 0.000 0.220 365 D C -0.143 176.114 176.300 -0.072 0.000 1.039 365 D CA 0.293 54.241 54.000 -0.087 0.000 0.866 365 D CB 0.115 40.865 40.800 -0.083 0.000 0.913 365 D HN 0.024 nan 8.370 nan 0.000 0.523 366 K N 1.083 121.441 120.400 -0.070 0.000 2.511 366 K HA -0.016 4.304 4.320 -0.000 0.000 0.280 366 K C 1.139 177.711 176.600 -0.046 0.000 1.008 366 K CA 0.348 56.605 56.287 -0.050 0.000 1.050 366 K CB 0.829 33.307 32.500 -0.036 0.000 0.889 366 K HN -0.021 nan 8.250 nan 0.000 0.484 367 Q N 1.547 121.324 119.800 -0.037 0.000 2.350 367 Q HA 0.084 4.424 4.340 -0.000 0.000 0.225 367 Q C -0.124 175.860 176.000 -0.028 0.000 0.878 367 Q CA 0.647 56.429 55.803 -0.035 0.000 0.935 367 Q CB 0.936 29.655 28.738 -0.031 0.000 1.099 367 Q HN 0.632 nan 8.270 nan 0.000 0.527 368 E N -1.485 118.701 120.200 -0.024 0.000 2.392 368 E HA 0.502 4.851 4.350 -0.000 0.000 0.279 368 E C -0.809 175.782 176.600 -0.015 0.000 0.964 368 E CA -0.055 56.334 56.400 -0.018 0.000 0.777 368 E CB 1.792 31.483 29.700 -0.015 0.000 1.249 368 E HN 0.138 nan 8.360 nan 0.000 0.449 369 G N 1.980 110.773 108.800 -0.013 0.000 2.409 369 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.421 369 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.421 369 G C -2.888 172.005 174.900 -0.012 0.000 1.259 369 G CA -0.908 44.185 45.100 -0.011 0.000 1.011 369 G HN 0.419 nan 8.290 nan 0.000 0.497 370 P HA 0.405 nan 4.420 nan 0.000 0.267 370 P C 0.106 177.394 177.300 -0.020 0.000 1.209 370 P CA -0.353 62.738 63.100 -0.015 0.000 0.763 370 P CB 0.731 32.423 31.700 -0.014 0.000 0.816 371 L N 4.543 125.750 121.223 -0.026 0.000 2.455 371 L HA 0.067 4.407 4.340 -0.000 0.000 0.272 371 L C 0.214 177.047 176.870 -0.061 0.000 1.174 371 L CA 0.898 55.714 54.840 -0.039 0.000 0.869 371 L CB -0.299 41.738 42.059 -0.036 0.000 1.130 371 L HN 0.393 nan 8.230 nan 0.000 0.474 372 Q N 3.203 122.950 119.800 -0.089 0.000 2.359 372 Q HA 0.558 4.898 4.340 -0.000 0.000 0.275 372 Q C 0.916 176.779 176.000 -0.230 0.000 1.082 372 Q CA -0.286 55.399 55.803 -0.198 0.000 0.849 372 Q CB 1.493 30.075 28.738 -0.260 0.000 1.377 372 Q HN 0.784 nan 8.270 nan 0.000 0.452 373 A N 0.432 123.059 122.820 -0.322 0.000 1.986 373 A HA -0.231 4.089 4.320 -0.000 0.000 0.220 373 A C 1.397 178.878 177.584 -0.172 0.000 1.171 373 A CA 1.712 53.691 52.037 -0.098 0.000 0.640 373 A CB -0.734 18.191 19.000 -0.125 0.000 0.811 373 A HN 0.758 nan 8.150 nan 0.000 0.451 374 Y N -0.042 120.153 120.300 -0.175 0.000 2.128 374 Y HA -0.213 4.337 4.550 -0.000 0.000 0.284 374 Y C 2.598 178.256 175.900 -0.404 0.000 1.154 374 Y CA 1.608 59.410 58.100 -0.496 0.000 1.149 374 Y CB -1.088 37.128 38.460 -0.408 0.000 0.976 374 Y HN 0.360 nan 8.280 nan 0.000 0.505 375 Q N -0.185 119.561 119.800 -0.091 0.000 2.172 375 Q HA -0.061 4.279 4.340 -0.000 0.000 0.200 375 Q C 2.368 178.257 176.000 -0.186 0.000 0.964 375 Q CA 1.173 56.898 55.803 -0.129 0.000 0.855 375 Q CB -0.611 28.073 28.738 -0.091 0.000 0.918 375 Q HN 0.338 nan 8.270 nan 0.000 0.444 376 V N 0.510 120.337 119.914 -0.146 0.000 2.332 376 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 376 V C 1.996 177.970 176.094 -0.199 0.000 1.055 376 V CA 1.622 63.816 62.300 -0.176 0.000 1.038 376 V CB -0.492 31.248 31.823 -0.138 0.000 0.651 376 V HN 0.335 nan 8.190 nan 0.000 0.450 377 L N -0.384 120.793 121.223 -0.078 0.000 2.156 377 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 377 L C 2.746 179.515 176.870 -0.168 0.000 1.095 377 L CA 1.158 55.954 54.840 -0.073 0.000 0.770 377 L CB -0.593 41.450 42.059 -0.028 0.000 0.914 377 L HN 0.243 nan 8.230 nan 0.000 0.439 378 R N 0.885 121.260 120.500 -0.208 0.000 2.096 378 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 378 R C 2.093 178.234 176.300 -0.265 0.000 1.127 378 R CA 1.685 57.670 56.100 -0.191 0.000 0.968 378 R CB -0.244 29.954 30.300 -0.170 0.000 0.861 378 R HN 0.341 nan 8.270 nan 0.000 0.440 379 A N 0.335 122.888 122.820 -0.445 0.000 1.929 379 A HA -0.046 4.274 4.320 -0.000 0.000 0.216 379 A C 2.409 179.567 177.584 -0.710 0.000 1.176 379 A CA 1.255 52.850 52.037 -0.736 0.000 0.628 379 A CB -0.421 17.767 19.000 -1.354 0.000 0.816 379 A HN 0.182 nan 8.150 nan 0.000 0.444 380 V N 1.086 120.673 119.914 -0.545 0.000 2.295 380 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 380 V C 2.342 178.354 176.094 -0.136 0.000 1.049 380 V CA 2.182 64.351 62.300 -0.218 0.000 1.024 380 V CB -0.967 30.725 31.823 -0.219 0.000 0.648 380 V HN 0.549 nan 8.190 nan 0.000 0.447 381 N N 0.274 118.893 118.700 -0.136 0.000 2.094 381 N HA -0.174 4.566 4.740 -0.000 0.000 0.191 381 N C 1.787 177.287 175.510 -0.016 0.000 1.023 381 N CA 1.268 54.284 53.050 -0.058 0.000 0.857 381 N CB -0.330 38.118 38.487 -0.066 0.000 1.013 381 N HN 0.424 nan 8.380 nan 0.000 0.426 382 K N 0.890 121.258 120.400 -0.054 0.000 2.211 382 K HA -0.035 4.285 4.320 -0.000 0.000 0.203 382 K C 1.861 178.487 176.600 0.044 0.000 1.050 382 K CA 0.644 56.919 56.287 -0.021 0.000 0.945 382 K CB -0.085 32.379 32.500 -0.061 0.000 0.732 382 K HN 0.481 nan 8.250 nan 0.000 0.451 383 I N -2.650 117.982 120.570 0.103 0.000 3.956 383 I HA 0.252 4.422 4.170 -0.000 0.000 0.333 383 I C 0.492 176.766 176.117 0.262 0.000 1.302 383 I CA -0.439 60.975 61.300 0.190 0.000 1.122 383 I CB 0.345 38.514 38.000 0.280 0.000 1.013 383 I HN -0.265 nan 8.210 nan 0.000 0.405 384 A N 1.746 124.715 122.820 0.249 0.000 2.366 384 A HA 0.368 4.688 4.320 -0.000 0.000 0.272 384 A C 0.106 177.808 177.584 0.197 0.000 1.135 384 A CA -0.250 51.979 52.037 0.319 0.000 0.804 384 A CB 0.092 19.256 19.000 0.273 0.000 1.064 384 A HN 0.495 nan 8.150 nan 0.000 0.499 385 E N 3.215 123.518 120.200 0.171 0.000 2.373 385 E HA 0.138 4.488 4.350 -0.000 0.000 0.263 385 E C -1.344 175.316 176.600 0.099 0.000 1.073 385 E CA -1.634 54.823 56.400 0.095 0.000 0.894 385 E CB 0.661 30.390 29.700 0.048 0.000 1.008 385 E HN 0.497 nan 8.360 nan 0.000 0.420 386 P HA -0.171 nan 4.420 nan 0.000 0.221 386 P C 0.189 177.529 177.300 0.067 0.000 1.145 386 P CA 1.324 64.466 63.100 0.070 0.000 0.795 386 P CB 0.152 31.880 31.700 0.047 0.000 0.775 387 D N -1.436 118.990 120.400 0.044 0.000 2.593 387 D HA 0.242 4.882 4.640 -0.000 0.000 0.241 387 D C 0.298 176.595 176.300 -0.004 0.000 1.257 387 D CA -0.801 53.209 54.000 0.018 0.000 0.828 387 D CB -0.496 40.296 40.800 -0.013 0.000 1.049 387 D HN -0.028 nan 8.370 nan 0.000 0.490 388 A N 0.628 123.463 122.820 0.025 0.000 2.520 388 A HA 0.380 4.700 4.320 -0.000 0.000 0.235 388 A C 0.274 177.796 177.584 -0.104 0.000 1.065 388 A CA 0.019 52.019 52.037 -0.062 0.000 0.764 388 A CB 0.128 19.099 19.000 -0.049 0.000 1.002 388 A HN 0.406 nan 8.150 nan 0.000 0.502 389 I N 0.976 121.448 120.570 -0.163 0.000 2.441 389 I HA 0.357 4.527 4.170 -0.000 0.000 0.295 389 I C -1.253 174.809 176.117 -0.092 0.000 0.994 389 I CA -0.337 60.934 61.300 -0.048 0.000 1.144 389 I CB 1.507 39.494 38.000 -0.022 0.000 1.314 389 I HN 0.600 nan 8.210 nan 0.000 0.445 390 Y N 3.681 124.109 120.300 0.214 0.000 2.328 390 Y HA 0.319 4.869 4.550 -0.000 0.000 0.333 390 Y C 0.380 176.396 175.900 0.194 0.000 0.958 390 Y CA -0.619 57.626 58.100 0.241 0.000 1.167 390 Y CB 1.963 40.540 38.460 0.194 0.000 1.151 390 Y HN 0.411 nan 8.280 nan 0.000 0.470 391 S N 5.073 120.950 115.700 0.294 0.000 2.430 391 S HA 0.610 5.080 4.470 -0.000 0.000 0.289 391 S C -0.599 174.128 174.600 0.212 0.000 1.143 391 S CA -0.419 57.906 58.200 0.209 0.000 1.067 391 S CB -0.263 63.022 63.200 0.142 0.000 0.964 391 S HN 0.557 nan 8.310 nan 0.000 0.485 392 I N 4.382 125.062 120.570 0.183 0.000 2.378 392 I HA 0.328 4.498 4.170 -0.000 0.000 0.291 392 I C 0.703 176.874 176.117 0.090 0.000 0.992 392 I CA -0.807 60.584 61.300 0.151 0.000 1.154 392 I CB 1.555 39.668 38.000 0.189 0.000 1.315 392 I HN 0.595 nan 8.210 nan 0.000 0.448 393 D N 4.250 124.678 120.400 0.046 0.000 2.315 393 D HA 0.300 4.940 4.640 -0.000 0.000 0.275 393 D C -0.797 175.477 176.300 -0.042 0.000 1.218 393 D CA 0.077 54.081 54.000 0.007 0.000 1.040 393 D CB 1.449 42.249 40.800 0.001 0.000 1.123 393 D HN 0.099 nan 8.370 nan 0.000 0.541 394 V N -0.220 119.643 119.914 -0.086 0.000 2.487 394 V HA 0.672 4.792 4.120 -0.000 0.000 0.298 394 V C 0.726 176.664 176.094 -0.260 0.000 1.028 394 V CA 0.268 62.462 62.300 -0.176 0.000 0.860 394 V CB 0.820 32.562 31.823 -0.135 0.000 0.991 394 V HN 0.892 nan 8.190 nan 0.000 0.427 395 G N 3.734 112.229 108.800 -0.508 0.000 2.334 395 G HA2 0.001 3.960 3.960 -0.000 0.000 0.249 395 G HA3 0.001 3.960 3.960 -0.000 0.000 0.249 395 G C -0.068 174.455 174.900 -0.628 0.000 1.327 395 G CA 0.026 44.795 45.100 -0.552 0.000 0.979 395 G HN 0.419 nan 8.290 nan 0.000 0.471 396 D N -0.396 119.921 120.400 -0.139 0.000 2.228 396 D HA -0.097 4.543 4.640 -0.000 0.000 0.203 396 D C 2.366 178.541 176.300 -0.209 0.000 0.988 396 D CA 1.251 55.252 54.000 0.000 0.000 0.864 396 D CB 0.006 40.859 40.800 0.088 0.000 0.928 396 D HN 0.282 nan 8.370 nan 0.000 0.469 397 I N 1.317 121.696 120.570 -0.319 0.000 2.335 397 I HA -0.261 3.909 4.170 -0.000 0.000 0.251 397 I C 1.350 177.287 176.117 -0.300 0.000 1.129 397 I CA 1.290 62.350 61.300 -0.400 0.000 1.402 397 I CB -0.411 37.329 38.000 -0.433 0.000 1.069 397 I HN -0.032 nan 8.210 nan 0.000 0.424 398 N N 0.253 118.743 118.700 -0.351 0.000 2.069 398 N HA -0.222 4.517 4.740 -0.000 0.000 0.191 398 N C 1.945 177.179 175.510 -0.460 0.000 1.031 398 N CA 1.772 54.573 53.050 -0.415 0.000 0.852 398 N CB -0.444 37.713 38.487 -0.551 0.000 1.018 398 N HN 0.439 nan 8.380 nan 0.000 0.423 399 L N 0.838 121.863 121.223 -0.329 0.000 2.017 399 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 399 L C 1.606 178.452 176.870 -0.040 0.000 1.073 399 L CA 1.445 56.221 54.840 -0.106 0.000 0.745 399 L CB -0.221 41.933 42.059 0.159 0.000 0.894 399 L HN 0.218 nan 8.230 nan 0.000 0.432 400 N N 0.302 118.982 118.700 -0.032 0.000 2.171 400 N HA -0.115 4.625 4.740 -0.000 0.000 0.184 400 N C 1.840 177.389 175.510 0.064 0.000 1.021 400 N CA 1.494 54.596 53.050 0.086 0.000 0.854 400 N CB -0.414 38.075 38.487 0.002 0.000 0.994 400 N HN 0.497 nan 8.380 nan 0.000 0.426 401 A N 1.279 124.056 122.820 -0.072 0.000 1.902 401 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 401 A C 2.145 179.691 177.584 -0.063 0.000 1.181 401 A CA 1.773 53.762 52.037 -0.079 0.000 0.623 401 A CB -0.832 18.108 19.000 -0.099 0.000 0.818 401 A HN 0.347 nan 8.150 nan 0.000 0.443 402 N N -0.397 118.273 118.700 -0.050 0.000 2.149 402 N HA -0.159 4.580 4.740 -0.000 0.000 0.188 402 N C 1.846 177.367 175.510 0.019 0.000 1.019 402 N CA 1.831 54.891 53.050 0.015 0.000 0.857 402 N CB -0.234 38.218 38.487 -0.060 0.000 0.997 402 N HN 0.532 nan 8.380 nan 0.000 0.426 403 R N -1.528 118.952 120.500 -0.033 0.000 2.075 403 R HA 0.049 4.389 4.340 -0.000 0.000 0.226 403 R C 1.604 177.732 176.300 -0.288 0.000 1.114 403 R CA 1.070 57.088 56.100 -0.137 0.000 0.972 403 R CB -0.154 29.992 30.300 -0.256 0.000 0.869 403 R HN 0.470 nan 8.270 nan 0.000 0.437 404 H N -0.177 118.872 119.070 -0.035 0.000 2.557 404 H HA 0.183 4.739 4.556 -0.000 0.000 0.281 404 H C 0.600 175.865 175.328 -0.105 0.000 0.990 404 H CA 0.047 56.052 56.048 -0.072 0.000 1.278 404 H CB 0.315 30.044 29.762 -0.055 0.000 1.451 404 H HN 0.008 nan 8.280 nan 0.000 0.516 405 L N 2.355 123.543 121.223 -0.057 0.000 2.499 405 L HA 0.007 4.347 4.340 -0.000 0.000 0.273 405 L C 0.385 177.176 176.870 -0.132 0.000 1.195 405 L CA 0.460 55.187 54.840 -0.188 0.000 0.882 405 L CB 0.496 42.307 42.059 -0.414 0.000 1.133 405 L HN -0.104 nan 8.230 nan 0.000 0.483 406 K N 5.428 125.767 120.400 -0.103 0.000 2.290 406 K HA 0.445 4.765 4.320 -0.000 0.000 0.250 406 K C -0.770 175.810 176.600 -0.033 0.000 1.092 406 K CA -0.163 56.097 56.287 -0.045 0.000 1.006 406 K CB 0.493 32.983 32.500 -0.017 0.000 1.549 406 K HN 0.439 nan 8.250 nan 0.000 0.436 407 L N 1.430 122.622 121.223 -0.051 0.000 2.352 407 L HA 0.520 4.860 4.340 -0.000 0.000 0.269 407 L C 0.677 177.545 176.870 -0.003 0.000 1.034 407 L CA -0.687 54.138 54.840 -0.024 0.000 0.806 407 L CB 1.667 43.682 42.059 -0.073 0.000 1.244 407 L HN 0.536 nan 8.230 nan 0.000 0.447 408 T N -2.782 111.788 114.554 0.027 0.000 2.838 408 T HA 0.411 4.761 4.350 -0.000 0.000 0.292 408 T C -2.396 172.319 174.700 0.025 0.000 1.113 408 T CA -1.796 60.313 62.100 0.016 0.000 1.008 408 T CB 1.848 70.730 68.868 0.024 0.000 1.259 408 T HN 0.212 nan 8.240 nan 0.000 0.520 409 P HA -0.067 nan 4.420 nan 0.000 0.218 409 P C 1.421 178.733 177.300 0.018 0.000 1.146 409 P CA 1.064 64.168 63.100 0.008 0.000 0.820 409 P CB -0.102 31.591 31.700 -0.012 0.000 0.778 410 S N -1.732 113.983 115.700 0.024 0.000 2.489 410 S HA -0.006 4.464 4.470 -0.000 0.000 0.228 410 S C 0.812 175.430 174.600 0.030 0.000 0.995 410 S CA 0.405 58.617 58.200 0.020 0.000 0.934 410 S CB -0.804 62.409 63.200 0.022 0.000 0.771 410 S HN 0.348 nan 8.310 nan 0.000 0.522 411 N N 1.136 119.880 118.700 0.073 0.000 2.493 411 N HA 0.339 5.078 4.740 -0.000 0.000 0.275 411 N C -0.200 175.382 175.510 0.120 0.000 1.186 411 N CA -0.336 52.793 53.050 0.131 0.000 0.978 411 N CB 0.567 39.192 38.487 0.229 0.000 1.184 411 N HN -0.038 nan 8.380 nan 0.000 0.487 412 R N 0.799 121.385 120.500 0.143 0.000 2.670 412 R HA 0.381 4.721 4.340 -0.000 0.000 0.289 412 R C -1.080 175.403 176.300 0.305 0.000 0.965 412 R CA -0.810 55.376 56.100 0.144 0.000 0.899 412 R CB 1.171 31.487 30.300 0.027 0.000 1.173 412 R HN 0.888 nan 8.270 nan 0.000 0.456 413 H N -0.441 118.704 119.070 0.124 0.000 2.771 413 H HA 0.740 5.296 4.556 -0.000 0.000 0.361 413 H C -0.446 174.918 175.328 0.060 0.000 1.108 413 H CA -1.022 55.112 56.048 0.142 0.000 1.201 413 H CB 1.531 31.359 29.762 0.110 0.000 1.681 413 H HN 0.572 nan 8.280 nan 0.000 0.534 414 I N -0.013 120.587 120.570 0.050 0.000 2.828 414 I HA 0.831 5.001 4.170 -0.000 0.000 0.302 414 I C -0.760 175.383 176.117 0.043 0.000 1.101 414 I CA -0.800 60.478 61.300 -0.036 0.000 1.031 414 I CB 2.545 40.548 38.000 0.005 0.000 1.231 414 I HN 0.782 nan 8.210 nan 0.000 0.427 415 T N 1.123 115.681 114.554 0.007 0.000 2.645 415 T HA 0.345 4.695 4.350 -0.000 0.000 0.300 415 T C -1.051 173.670 174.700 0.036 0.000 1.210 415 T CA -0.448 61.686 62.100 0.056 0.000 1.034 415 T CB 1.809 70.753 68.868 0.127 0.000 1.537 415 T HN 0.749 nan 8.240 nan 0.000 0.492 416 S N 1.687 117.422 115.700 0.059 0.000 2.681 416 S HA 0.243 4.713 4.470 -0.000 0.000 0.313 416 S C 0.973 175.626 174.600 0.088 0.000 1.137 416 S CA -0.588 57.658 58.200 0.076 0.000 1.045 416 S CB -0.714 62.545 63.200 0.098 0.000 1.208 416 S HN 0.533 nan 8.310 nan 0.000 0.523 417 N N 3.563 122.302 118.700 0.066 0.000 2.120 417 N HA -0.054 4.686 4.740 -0.000 0.000 0.188 417 N C 1.193 176.774 175.510 0.120 0.000 1.024 417 N CA 1.116 54.216 53.050 0.084 0.000 0.852 417 N CB -0.197 38.305 38.487 0.025 0.000 1.003 417 N HN 0.573 nan 8.380 nan 0.000 0.424 418 L N -1.809 119.483 121.223 0.116 0.000 2.641 418 L HA 0.314 4.654 4.340 -0.000 0.000 0.207 418 L C 1.476 178.446 176.870 0.166 0.000 1.049 418 L CA 0.375 55.285 54.840 0.117 0.000 0.866 418 L CB -0.602 41.521 42.059 0.106 0.000 1.264 418 L HN -0.087 nan 8.230 nan 0.000 0.483 419 F N 2.115 122.088 119.950 0.040 0.000 2.293 419 F HA 0.228 4.755 4.527 -0.000 0.000 0.300 419 F C 1.610 177.430 175.800 0.032 0.000 1.086 419 F CA 0.685 58.712 58.000 0.045 0.000 1.375 419 F CB -0.334 38.709 39.000 0.072 0.000 1.045 419 F HN 0.219 nan 8.300 nan 0.000 0.516 420 A N 1.009 123.865 122.820 0.061 0.000 2.640 420 A HA -0.261 4.059 4.320 -0.000 0.000 0.300 420 A C 0.781 178.287 177.584 -0.130 0.000 1.499 420 A CA 0.980 53.001 52.037 -0.028 0.000 0.759 420 A CB -2.654 16.329 19.000 -0.028 0.000 1.048 420 A HN 0.458 nan 8.150 nan 0.000 0.450 421 T N 0.609 115.122 114.554 -0.068 0.000 2.814 421 T HA 0.502 4.852 4.350 -0.000 0.000 0.297 421 T C 0.695 175.368 174.700 -0.045 0.000 0.956 421 T CA -0.068 61.979 62.100 -0.087 0.000 1.123 421 T CB -0.136 68.791 68.868 0.098 0.000 0.902 421 T HN 0.454 nan 8.240 nan 0.000 0.528 422 M N 3.958 123.511 119.600 -0.079 0.000 2.250 422 M HA 0.320 4.800 4.480 -0.000 0.000 0.325 422 M C 1.662 177.942 176.300 -0.034 0.000 1.084 422 M CA 1.415 56.682 55.300 -0.055 0.000 1.161 422 M CB 0.361 32.923 32.600 -0.063 0.000 1.481 422 M HN 1.011 nan 8.290 nan 0.000 0.449 423 G N 0.042 108.829 108.800 -0.022 0.000 2.194 423 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.236 423 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.236 423 G C 0.451 175.339 174.900 -0.020 0.000 0.987 423 G CA 0.283 45.367 45.100 -0.026 0.000 0.635 423 G HN 0.822 nan 8.290 nan 0.000 0.520 424 V N -0.360 119.552 119.914 -0.004 0.000 2.970 424 V HA 0.348 4.467 4.120 -0.000 0.000 0.260 424 V C 2.588 178.691 176.094 0.015 0.000 1.100 424 V CA 1.989 64.291 62.300 0.004 0.000 1.122 424 V CB -0.990 30.847 31.823 0.023 0.000 0.721 424 V HN 0.912 nan 8.190 nan 0.000 0.483 425 G N 1.203 110.017 108.800 0.024 0.000 2.514 425 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 425 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 425 G C 1.481 176.406 174.900 0.043 0.000 1.198 425 G CA 1.527 46.656 45.100 0.049 0.000 0.780 425 G HN 0.526 nan 8.290 nan 0.000 0.565 426 I N 1.924 122.507 120.570 0.022 0.000 2.099 426 I HA -0.134 4.036 4.170 -0.000 0.000 0.239 426 I C 0.069 176.185 176.117 -0.002 0.000 1.066 426 I CA 1.436 62.745 61.300 0.015 0.000 1.324 426 I CB -0.846 37.161 38.000 0.011 0.000 1.037 426 I HN 0.194 nan 8.210 nan 0.000 0.401 427 P HA -0.147 nan 4.420 nan 0.000 0.215 427 P C 1.637 178.906 177.300 -0.051 0.000 1.153 427 P CA 2.057 65.110 63.100 -0.078 0.000 0.853 427 P CB -0.375 31.253 31.700 -0.119 0.000 0.788 428 G N 0.299 109.093 108.800 -0.010 0.000 2.442 428 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.219 428 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.219 428 G C 1.733 176.665 174.900 0.054 0.000 1.141 428 G CA 1.084 46.200 45.100 0.027 0.000 0.763 428 G HN 0.389 nan 8.290 nan 0.000 0.554 429 A N 0.368 123.219 122.820 0.051 0.000 1.930 429 A HA 0.237 4.557 4.320 -0.000 0.000 0.215 429 A C 2.354 179.963 177.584 0.041 0.000 1.176 429 A CA 0.800 52.871 52.037 0.057 0.000 0.632 429 A CB -0.216 18.819 19.000 0.057 0.000 0.819 429 A HN 0.344 nan 8.150 nan 0.000 0.445 430 I N 0.030 120.615 120.570 0.026 0.000 2.127 430 I HA -0.321 3.849 4.170 -0.000 0.000 0.241 430 I C 2.991 179.132 176.117 0.040 0.000 1.075 430 I CA 1.269 62.584 61.300 0.025 0.000 1.334 430 I CB -0.306 37.703 38.000 0.016 0.000 1.040 430 I HN 0.351 nan 8.210 nan 0.000 0.405 431 A N 0.569 123.428 122.820 0.064 0.000 1.902 431 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 431 A C 2.532 180.179 177.584 0.105 0.000 1.181 431 A CA 1.905 54.021 52.037 0.131 0.000 0.623 431 A CB -0.925 18.158 19.000 0.138 0.000 0.818 431 A HN 0.450 nan 8.150 nan 0.000 0.443 432 A N -0.302 122.590 122.820 0.120 0.000 1.883 432 A HA -0.183 4.136 4.320 -0.000 0.000 0.217 432 A C 2.093 179.778 177.584 0.169 0.000 1.186 432 A CA 2.414 54.570 52.037 0.198 0.000 0.624 432 A CB -0.401 18.700 19.000 0.168 0.000 0.822 432 A HN 0.424 nan 8.150 nan 0.000 0.444 433 K N -0.101 120.342 120.400 0.073 0.000 2.103 433 K HA 0.083 4.403 4.320 -0.000 0.000 0.204 433 K C 1.721 178.304 176.600 -0.028 0.000 1.052 433 K CA 1.090 57.398 56.287 0.035 0.000 0.945 433 K CB -0.541 31.965 32.500 0.010 0.000 0.722 433 K HN 0.471 nan 8.250 nan 0.000 0.443 434 L N 0.642 121.803 121.223 -0.104 0.000 2.083 434 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 434 L C 1.892 178.611 176.870 -0.252 0.000 1.083 434 L CA 1.183 55.859 54.840 -0.274 0.000 0.752 434 L CB -0.423 41.276 42.059 -0.600 0.000 0.899 434 L HN 0.259 nan 8.230 nan 0.000 0.433 435 N N -0.898 117.678 118.700 -0.205 0.000 2.300 435 N HA -0.090 4.650 4.740 -0.000 0.000 0.179 435 N C -0.118 175.061 175.510 -0.552 0.000 1.016 435 N CA 1.023 53.840 53.050 -0.387 0.000 0.876 435 N CB 0.225 38.358 38.487 -0.591 0.000 0.979 435 N HN 0.292 nan 8.380 nan 0.000 0.432 436 Y N -0.427 119.880 120.300 0.013 0.000 2.584 436 Y HA 0.363 4.913 4.550 -0.000 0.000 0.358 436 Y C -1.840 174.053 175.900 -0.013 0.000 1.028 436 Y CA -1.970 56.135 58.100 0.008 0.000 1.148 436 Y CB 1.442 39.911 38.460 0.014 0.000 1.126 436 Y HN -0.033 nan 8.280 nan 0.000 0.658 437 P HA -0.138 nan 4.420 nan 0.000 0.221 437 P C 0.964 178.284 177.300 0.034 0.000 1.145 437 P CA 1.474 64.593 63.100 0.031 0.000 0.795 437 P CB 0.534 32.235 31.700 0.002 0.000 0.775 438 E N -1.279 118.954 120.200 0.056 0.000 2.474 438 E HA 0.107 4.457 4.350 -0.000 0.000 0.195 438 E C 0.621 177.234 176.600 0.021 0.000 1.039 438 E CA 0.155 56.574 56.400 0.032 0.000 0.881 438 E CB 0.094 29.817 29.700 0.038 0.000 0.970 438 E HN 0.327 nan 8.360 nan 0.000 0.486 439 R N 1.028 121.550 120.500 0.036 0.000 2.474 439 R HA 0.252 4.592 4.340 -0.000 0.000 0.295 439 R C 0.259 176.528 176.300 -0.051 0.000 0.980 439 R CA -0.466 55.629 56.100 -0.009 0.000 0.934 439 R CB 1.467 31.752 30.300 -0.026 0.000 1.101 439 R HN 0.072 nan 8.270 nan 0.000 0.469 440 Q N 1.913 121.656 119.800 -0.094 0.000 2.311 440 Q HA 0.146 4.486 4.340 -0.000 0.000 0.272 440 Q C -1.070 174.788 176.000 -0.237 0.000 1.012 440 Q CA 0.187 55.878 55.803 -0.187 0.000 0.891 440 Q CB 0.869 29.496 28.738 -0.185 0.000 1.201 440 Q HN 0.277 nan 8.270 nan 0.000 0.391 441 V N 5.507 125.231 119.914 -0.316 0.000 2.531 441 V HA 0.442 4.561 4.120 -0.000 0.000 0.301 441 V C -0.916 174.959 176.094 -0.365 0.000 1.034 441 V CA -0.604 61.556 62.300 -0.233 0.000 0.865 441 V CB 1.271 33.043 31.823 -0.084 0.000 0.995 441 V HN 0.637 nan 8.190 nan 0.000 0.424 442 F N 2.859 122.733 119.950 -0.126 0.000 2.492 442 F HA 0.551 5.078 4.527 0.000 0.000 0.327 442 F C 0.330 176.175 175.800 0.075 0.000 1.079 442 F CA -0.524 57.471 58.000 -0.010 0.000 0.967 442 F CB 1.792 40.809 39.000 0.029 0.000 1.169 442 F HN 0.515 nan 8.300 nan 0.000 0.472 443 N N 3.482 122.357 118.700 0.293 0.000 2.479 443 N HA 0.416 5.156 4.740 -0.000 0.000 0.261 443 N C -1.872 173.802 175.510 0.274 0.000 0.979 443 N CA -0.349 52.837 53.050 0.228 0.000 0.930 443 N CB 0.688 39.251 38.487 0.127 0.000 1.172 443 N HN 0.574 nan 8.380 nan 0.000 0.499 444 L N 2.514 123.906 121.223 0.282 0.000 2.294 444 L HA 0.818 5.158 4.340 -0.000 0.000 0.283 444 L C -0.296 176.690 176.870 0.193 0.000 1.015 444 L CA -0.883 54.151 54.840 0.322 0.000 0.831 444 L CB 1.178 43.412 42.059 0.291 0.000 1.217 444 L HN 0.626 nan 8.230 nan 0.000 0.420 445 A N 2.297 125.255 122.820 0.230 0.000 2.449 445 A HA 0.813 5.133 4.320 -0.000 0.000 0.302 445 A C -0.000 177.670 177.584 0.143 0.000 1.048 445 A CA -0.382 51.715 52.037 0.100 0.000 0.708 445 A CB 1.599 20.617 19.000 0.030 0.000 1.274 445 A HN 0.679 nan 8.150 nan 0.000 0.410 446 G N 0.344 109.175 108.800 0.051 0.000 2.606 446 G HA2 0.373 4.333 3.960 -0.000 0.000 0.252 446 G HA3 0.373 4.333 3.960 -0.000 0.000 0.252 446 G C 0.466 175.406 174.900 0.067 0.000 1.206 446 G CA 0.419 45.576 45.100 0.095 0.000 0.861 446 G HN 0.836 nan 8.290 nan 0.000 0.561 447 D N 0.082 120.551 120.400 0.115 0.000 2.144 447 D HA -0.101 4.539 4.640 -0.000 0.000 0.199 447 D C 2.214 178.649 176.300 0.224 0.000 0.984 447 D CA 1.433 55.510 54.000 0.128 0.000 0.834 447 D CB -0.976 40.002 40.800 0.296 0.000 0.955 447 D HN 0.472 nan 8.370 nan 0.000 0.465 448 G N 0.519 109.507 108.800 0.314 0.000 2.459 448 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.217 448 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.217 448 G C 1.750 176.788 174.900 0.229 0.000 1.183 448 G CA 1.133 46.461 45.100 0.379 0.000 0.776 448 G HN 0.502 nan 8.290 nan 0.000 0.552 449 G N 0.902 109.791 108.800 0.149 0.000 2.402 449 G HA2 0.108 4.068 3.960 -0.000 0.000 0.216 449 G HA3 0.108 4.068 3.960 -0.000 0.000 0.216 449 G C 2.066 176.990 174.900 0.040 0.000 1.162 449 G CA 1.456 46.593 45.100 0.062 0.000 0.777 449 G HN 0.652 nan 8.290 nan 0.000 0.539 450 A N 1.435 124.259 122.820 0.007 0.000 1.933 450 A HA -0.058 4.262 4.320 -0.000 0.000 0.218 450 A C 2.731 180.414 177.584 0.164 0.000 1.175 450 A CA 2.607 54.622 52.037 -0.037 0.000 0.628 450 A CB -0.754 18.004 19.000 -0.403 0.000 0.814 450 A HN 0.750 nan 8.150 nan 0.000 0.444 451 S N -0.597 115.277 115.700 0.289 0.000 2.423 451 S HA -0.127 4.342 4.470 -0.000 0.000 0.231 451 S C 1.943 176.605 174.600 0.103 0.000 1.014 451 S CA 1.525 59.902 58.200 0.294 0.000 0.965 451 S CB -0.595 62.739 63.200 0.223 0.000 0.785 451 S HN 0.511 nan 8.310 nan 0.000 0.495 452 M N 1.870 121.503 119.600 0.055 0.000 2.213 452 M HA -0.050 4.430 4.480 -0.000 0.000 0.263 452 M C 1.686 177.943 176.300 -0.073 0.000 1.062 452 M CA 1.728 57.015 55.300 -0.022 0.000 1.105 452 M CB -0.552 32.025 32.600 -0.039 0.000 1.385 452 M HN 0.661 nan 8.290 nan 0.000 0.417 453 T N -3.250 111.283 114.554 -0.034 0.000 3.200 453 T HA 0.267 4.617 4.350 -0.000 0.000 0.284 453 T C 1.180 175.887 174.700 0.011 0.000 1.009 453 T CA -0.360 61.705 62.100 -0.059 0.000 0.907 453 T CB -0.404 68.422 68.868 -0.070 0.000 1.120 453 T HN 0.420 nan 8.240 nan 0.000 0.534 454 M N 1.266 120.908 119.600 0.071 0.000 2.195 454 M HA -0.181 4.299 4.480 -0.000 0.000 0.260 454 M C 2.314 178.655 176.300 0.067 0.000 1.066 454 M CA 1.814 57.193 55.300 0.132 0.000 1.089 454 M CB -0.819 31.902 32.600 0.203 0.000 1.377 454 M HN 0.216 nan 8.290 nan 0.000 0.411 455 Q N 0.915 120.736 119.800 0.035 0.000 2.234 455 Q HA -0.209 4.131 4.340 -0.000 0.000 0.206 455 Q C 0.709 176.729 176.000 0.034 0.000 0.980 455 Q CA 1.996 57.817 55.803 0.029 0.000 0.869 455 Q CB -1.094 27.668 28.738 0.040 0.000 0.912 455 Q HN 0.671 nan 8.270 nan 0.000 0.436 456 D N 0.510 120.930 120.400 0.033 0.000 2.340 456 D HA 0.119 4.758 4.640 -0.000 0.000 0.220 456 D C 1.757 178.079 176.300 0.037 0.000 1.039 456 D CA -0.040 53.981 54.000 0.035 0.000 0.866 456 D CB 0.227 41.039 40.800 0.021 0.000 0.913 456 D HN 0.281 nan 8.370 nan 0.000 0.523 457 L N 0.874 122.120 121.223 0.039 0.000 2.127 457 L HA -0.199 4.140 4.340 -0.000 0.000 0.211 457 L C 2.599 179.481 176.870 0.020 0.000 1.089 457 L CA 0.993 55.854 54.840 0.035 0.000 0.757 457 L CB -0.337 41.751 42.059 0.048 0.000 0.899 457 L HN 0.006 nan 8.230 nan 0.000 0.434 458 A N -0.638 122.191 122.820 0.015 0.000 2.019 458 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 458 A C 2.337 179.931 177.584 0.017 0.000 1.164 458 A CA 2.098 54.138 52.037 0.004 0.000 0.644 458 A CB -0.711 18.290 19.000 0.003 0.000 0.805 458 A HN 0.394 nan 8.150 nan 0.000 0.449 459 T N 0.059 114.650 114.554 0.063 0.000 2.821 459 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 459 T C 2.012 176.808 174.700 0.160 0.000 1.046 459 T CA 1.631 63.821 62.100 0.150 0.000 1.139 459 T CB -0.232 68.724 68.868 0.146 0.000 0.871 459 T HN 0.644 nan 8.240 nan 0.000 0.454 460 Q N 0.313 120.159 119.800 0.078 0.000 2.084 460 Q HA -0.075 4.265 4.340 -0.000 0.000 0.202 460 Q C 2.560 178.557 176.000 -0.006 0.000 0.978 460 Q CA 1.167 57.002 55.803 0.052 0.000 0.844 460 Q CB -0.389 28.366 28.738 0.029 0.000 0.898 460 Q HN 0.357 nan 8.270 nan 0.000 0.426 461 V N 0.775 120.660 119.914 -0.049 0.000 2.307 461 V HA -0.293 3.826 4.120 -0.000 0.000 0.245 461 V C 2.289 178.184 176.094 -0.332 0.000 1.045 461 V CA 2.098 64.312 62.300 -0.143 0.000 1.024 461 V CB -0.639 31.137 31.823 -0.079 0.000 0.651 461 V HN 0.390 nan 8.190 nan 0.000 0.449 462 Q N -0.795 118.847 119.800 -0.263 0.000 2.135 462 Q HA -0.214 4.126 4.340 -0.000 0.000 0.204 462 Q C 1.599 177.223 176.000 -0.626 0.000 0.981 462 Q CA 2.078 57.611 55.803 -0.451 0.000 0.856 462 Q CB -0.056 28.417 28.738 -0.441 0.000 0.902 462 Q HN 0.779 nan 8.270 nan 0.000 0.425 463 Y N -1.206 119.003 120.300 -0.152 0.000 2.555 463 Y HA 0.189 4.739 4.550 -0.000 0.000 0.259 463 Y C -0.593 175.337 175.900 0.050 0.000 1.179 463 Y CA -0.014 58.069 58.100 -0.028 0.000 1.230 463 Y CB 0.253 38.694 38.460 -0.032 0.000 1.146 463 Y HN 0.214 nan 8.280 nan 0.000 0.526 464 H N -0.713 118.393 119.070 0.061 0.000 2.692 464 H HA -0.166 4.389 4.556 -0.000 0.000 0.316 464 H C -0.857 174.498 175.328 0.045 0.000 1.176 464 H CA 0.338 56.410 56.048 0.040 0.000 1.142 464 H CB -2.010 27.766 29.762 0.023 0.000 1.475 464 H HN 0.269 nan 8.280 nan 0.000 0.423 465 L N 1.197 122.482 121.223 0.104 0.000 2.270 465 L HA 0.299 4.638 4.340 -0.000 0.000 0.286 465 L C -1.830 175.059 176.870 0.032 0.000 1.059 465 L CA -1.926 52.952 54.840 0.063 0.000 0.839 465 L CB 0.874 42.964 42.059 0.051 0.000 1.221 465 L HN -0.051 nan 8.230 nan 0.000 0.431 466 P HA 0.054 nan 4.420 nan 0.000 0.231 466 P C -0.091 177.171 177.300 -0.063 0.000 1.756 466 P CA 0.017 63.108 63.100 -0.015 0.000 0.990 466 P CB -0.026 31.659 31.700 -0.025 0.000 1.973 467 V N 2.499 122.384 119.914 -0.049 0.000 2.686 467 V HA 0.090 4.210 4.120 -0.000 0.000 0.295 467 V C 0.997 177.034 176.094 -0.095 0.000 1.055 467 V CA -0.153 62.101 62.300 -0.076 0.000 1.050 467 V CB 0.746 32.556 31.823 -0.022 0.000 0.984 467 V HN 0.238 nan 8.190 nan 0.000 0.482 468 I N 5.347 125.810 120.570 -0.179 0.000 2.281 468 I HA 0.240 4.410 4.170 -0.000 0.000 0.293 468 I C 0.294 176.438 176.117 0.044 0.000 1.085 468 I CA -0.018 61.208 61.300 -0.124 0.000 1.257 468 I CB 0.037 37.849 38.000 -0.314 0.000 1.430 468 I HN 0.593 nan 8.210 nan 0.000 0.489 469 N N 6.545 125.274 118.700 0.048 0.000 2.444 469 N HA 0.294 5.034 4.740 -0.000 0.000 0.271 469 N C -0.753 174.799 175.510 0.071 0.000 1.069 469 N CA -0.240 52.855 53.050 0.075 0.000 0.965 469 N CB 2.463 40.972 38.487 0.036 0.000 1.092 469 N HN 0.191 nan 8.380 nan 0.000 0.476 470 V N 2.801 122.790 119.914 0.124 0.000 2.376 470 V HA 0.270 4.390 4.120 -0.000 0.000 0.287 470 V C 0.134 176.236 176.094 0.014 0.000 1.015 470 V CA -0.819 61.507 62.300 0.043 0.000 0.834 470 V CB 1.711 33.617 31.823 0.137 0.000 1.001 470 V HN 0.286 nan 8.190 nan 0.000 0.428 471 V N 5.275 125.111 119.914 -0.129 0.000 2.394 471 V HA 0.475 4.594 4.120 -0.000 0.000 0.282 471 V C -0.516 175.490 176.094 -0.145 0.000 1.031 471 V CA -0.413 61.805 62.300 -0.137 0.000 0.881 471 V CB 1.469 33.038 31.823 -0.423 0.000 0.982 471 V HN 0.672 nan 8.190 nan 0.000 0.451 472 F N 2.313 122.219 119.950 -0.072 0.000 2.335 472 F HA 0.350 4.877 4.527 -0.000 0.000 0.365 472 F C 0.995 176.784 175.800 -0.019 0.000 1.122 472 F CA -0.330 57.651 58.000 -0.032 0.000 1.151 472 F CB 0.962 39.944 39.000 -0.030 0.000 1.282 472 F HN 0.342 nan 8.300 nan 0.000 0.513 473 T N 3.194 117.805 114.554 0.096 0.000 2.891 473 T HA 0.105 4.455 4.350 -0.000 0.000 0.315 473 T C 0.923 175.661 174.700 0.063 0.000 1.054 473 T CA -0.503 61.661 62.100 0.106 0.000 0.958 473 T CB -0.031 68.912 68.868 0.125 0.000 1.008 473 T HN 0.522 nan 8.240 nan 0.000 0.521 474 N N 0.298 119.021 118.700 0.038 0.000 2.205 474 N HA 0.046 4.786 4.740 -0.000 0.000 0.201 474 N C 0.526 175.942 175.510 -0.157 0.000 1.128 474 N CA -0.485 52.538 53.050 -0.046 0.000 0.867 474 N CB -0.573 37.886 38.487 -0.048 0.000 0.996 474 N HN 0.552 nan 8.380 nan 0.000 0.503 475 C N 0.358 119.559 119.300 -0.164 0.000 4.356 475 C HA -0.166 4.294 4.460 -0.000 0.000 0.296 475 C C -0.265 174.027 174.990 -1.163 0.000 1.424 475 C CA 0.478 59.234 59.018 -0.437 0.000 2.000 475 C CB -2.951 24.651 27.740 -0.229 0.000 1.262 475 C HN 0.618 nan 8.230 nan 0.000 0.789 476 Q N -2.432 116.755 119.800 -1.022 0.000 2.456 476 Q HA 0.507 4.847 4.340 -0.000 0.000 0.284 476 Q C -1.029 174.703 176.000 -0.446 0.000 1.061 476 Q CA -0.743 54.517 55.803 -0.904 0.000 0.799 476 Q CB 1.370 29.866 28.738 -0.403 0.000 1.445 476 Q HN 0.333 nan 8.270 nan 0.000 0.411 477 Y N 0.913 121.212 120.300 -0.001 0.000 2.632 477 Y HA 0.189 4.739 4.550 -0.000 0.000 0.336 477 Y C 1.312 177.253 175.900 0.067 0.000 1.237 477 Y CA -0.274 57.927 58.100 0.169 0.000 1.595 477 Y CB 0.027 38.624 38.460 0.228 0.000 1.508 477 Y HN 0.947 nan 8.280 nan 0.000 0.480 478 G N 2.391 111.292 108.800 0.168 0.000 2.446 478 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.217 478 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.217 478 G C 1.639 176.648 174.900 0.181 0.000 1.168 478 G CA 0.255 45.413 45.100 0.097 0.000 0.771 478 G HN 0.780 nan 8.290 nan 0.000 0.551 479 W N 0.751 122.074 121.300 0.039 0.000 2.321 479 W HA -0.176 4.484 4.660 -0.000 0.000 0.306 479 W C 2.035 178.578 176.519 0.040 0.000 1.217 479 W CA 1.087 58.449 57.345 0.028 0.000 1.257 479 W CB 0.016 29.491 29.460 0.025 0.000 1.145 479 W HN 0.135 nan 8.180 nan 0.000 0.509 480 I N 0.614 121.317 120.570 0.222 0.000 2.406 480 I HA -0.194 3.976 4.170 -0.000 0.000 0.249 480 I C 2.249 178.409 176.117 0.073 0.000 1.122 480 I CA 1.336 62.706 61.300 0.117 0.000 1.431 480 I CB -1.625 36.477 38.000 0.169 0.000 1.087 480 I HN -0.004 nan 8.210 nan 0.000 0.424 481 K N 1.349 121.777 120.400 0.046 0.000 2.032 481 K HA -0.229 4.091 4.320 -0.000 0.000 0.209 481 K C 1.615 178.219 176.600 0.007 0.000 1.048 481 K CA 1.989 58.228 56.287 -0.081 0.000 0.927 481 K CB 0.027 32.337 32.500 -0.317 0.000 0.712 481 K HN 0.190 nan 8.250 nan 0.000 0.441 482 D N 0.669 121.054 120.400 -0.026 0.000 2.144 482 D HA -0.145 4.494 4.640 -0.000 0.000 0.199 482 D C 1.754 178.042 176.300 -0.020 0.000 0.984 482 D CA 1.170 55.163 54.000 -0.011 0.000 0.834 482 D CB -0.108 40.647 40.800 -0.074 0.000 0.955 482 D HN 0.425 nan 8.370 nan 0.000 0.465 483 E N 0.621 120.770 120.200 -0.086 0.000 2.077 483 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 483 E C 2.187 178.803 176.600 0.026 0.000 0.989 483 E CA 0.786 57.141 56.400 -0.076 0.000 0.800 483 E CB -0.062 29.573 29.700 -0.109 0.000 0.746 483 E HN 0.372 nan 8.360 nan 0.000 0.452 484 Q N 0.456 120.322 119.800 0.110 0.000 2.124 484 Q HA -0.215 4.125 4.340 -0.000 0.000 0.202 484 Q C 2.185 178.278 176.000 0.155 0.000 0.977 484 Q CA 1.132 57.036 55.803 0.167 0.000 0.850 484 Q CB -0.081 28.844 28.738 0.311 0.000 0.901 484 Q HN 0.315 nan 8.270 nan 0.000 0.429 485 E N 0.662 121.038 120.200 0.293 0.000 2.085 485 E HA -0.238 4.112 4.350 -0.000 0.000 0.194 485 E C 1.065 177.699 176.600 0.057 0.000 0.994 485 E CA 1.441 57.953 56.400 0.186 0.000 0.801 485 E CB 0.179 30.053 29.700 0.290 0.000 0.743 485 E HN 0.301 nan 8.360 nan 0.000 0.453 486 D N -0.898 119.528 120.400 0.044 0.000 2.162 486 D HA -0.091 4.549 4.640 -0.000 0.000 0.203 486 D C 2.001 178.298 176.300 -0.005 0.000 0.967 486 D CA 1.929 55.934 54.000 0.010 0.000 0.840 486 D CB -0.053 40.738 40.800 -0.014 0.000 0.972 486 D HN 0.381 nan 8.370 nan 0.000 0.482 487 T N -2.803 111.749 114.554 -0.003 0.000 2.999 487 T HA 0.103 4.453 4.350 -0.000 0.000 0.247 487 T C 0.744 175.435 174.700 -0.014 0.000 1.012 487 T CA -0.387 61.707 62.100 -0.009 0.000 1.048 487 T CB 0.110 68.975 68.868 -0.006 0.000 1.020 487 T HN -0.212 nan 8.240 nan 0.000 0.478 488 N N 2.163 120.853 118.700 -0.017 0.000 2.499 488 N HA 0.331 5.071 4.740 -0.000 0.000 0.281 488 N C 0.946 176.420 175.510 -0.060 0.000 1.098 488 N CA -0.409 52.623 53.050 -0.029 0.000 0.979 488 N CB 1.212 39.689 38.487 -0.016 0.000 1.121 488 N HN 0.151 nan 8.380 nan 0.000 0.466 489 Q N 0.550 120.321 119.800 -0.049 0.000 2.163 489 Q HA 0.115 4.455 4.340 -0.000 0.000 0.198 489 Q C -0.083 175.870 176.000 -0.077 0.000 0.954 489 Q CA 1.055 56.823 55.803 -0.058 0.000 0.851 489 Q CB 0.054 28.769 28.738 -0.038 0.000 0.928 489 Q HN 0.560 nan 8.270 nan 0.000 0.459 490 N N 1.267 119.924 118.700 -0.071 0.000 2.448 490 N HA 0.092 4.832 4.740 -0.000 0.000 0.274 490 N C -0.356 175.080 175.510 -0.123 0.000 1.239 490 N CA -0.401 52.604 53.050 -0.075 0.000 0.982 490 N CB 0.380 38.844 38.487 -0.038 0.000 1.199 490 N HN -0.058 nan 8.380 nan 0.000 0.576 491 D N 0.092 120.428 120.400 -0.105 0.000 2.378 491 D HA 0.063 4.703 4.640 -0.000 0.000 0.238 491 D C 0.100 176.347 176.300 -0.088 0.000 1.180 491 D CA 0.293 54.206 54.000 -0.146 0.000 0.895 491 D CB 0.102 40.873 40.800 -0.048 0.000 1.192 491 D HN 0.181 nan 8.370 nan 0.000 0.438 492 F N 0.722 120.679 119.950 0.012 0.000 2.623 492 F HA 0.065 4.592 4.527 -0.000 0.000 0.386 492 F C 0.951 176.770 175.800 0.031 0.000 1.068 492 F CA 0.343 58.355 58.000 0.020 0.000 1.265 492 F CB -0.193 38.815 39.000 0.012 0.000 1.026 492 F HN 0.099 nan 8.300 nan 0.000 0.568 493 I N 1.695 122.417 120.570 0.253 0.000 2.569 493 I HA 0.510 4.679 4.170 -0.000 0.000 0.290 493 I C 0.461 176.686 176.117 0.180 0.000 1.088 493 I CA -0.202 61.200 61.300 0.171 0.000 1.047 493 I CB 1.706 39.776 38.000 0.117 0.000 1.237 493 I HN 0.680 nan 8.210 nan 0.000 0.421 494 G N 4.398 113.304 108.800 0.177 0.000 2.155 494 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.257 494 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.257 494 G C 0.422 175.524 174.900 0.337 0.000 0.983 494 G CA 0.700 45.941 45.100 0.235 0.000 0.676 494 G HN 1.298 nan 8.290 nan 0.000 0.528 495 V N -3.849 116.193 119.914 0.213 0.000 3.604 495 V HA 0.517 4.637 4.120 -0.000 0.000 0.277 495 V C 0.443 176.430 176.094 -0.178 0.000 1.399 495 V CA 0.732 63.124 62.300 0.153 0.000 1.034 495 V CB 0.410 32.291 31.823 0.098 0.000 0.824 495 V HN 0.337 nan 8.190 nan 0.000 0.439 496 E N 1.583 121.676 120.200 -0.178 0.000 2.176 496 E HA 0.658 5.008 4.350 -0.000 0.000 0.267 496 E C -1.308 175.170 176.600 -0.202 0.000 0.893 496 E CA -0.562 55.622 56.400 -0.360 0.000 0.761 496 E CB 2.215 31.775 29.700 -0.234 0.000 1.133 496 E HN 0.529 nan 8.360 nan 0.000 0.409 497 F N -0.746 119.129 119.950 -0.126 0.000 2.726 497 F HA 0.521 5.047 4.527 -0.000 0.000 0.324 497 F C -0.329 175.427 175.800 -0.074 0.000 1.140 497 F CA -1.655 56.284 58.000 -0.103 0.000 0.964 497 F CB 0.307 39.213 39.000 -0.157 0.000 1.399 497 F HN 0.065 nan 8.300 nan 0.000 0.491 498 N N 0.699 119.575 118.700 0.293 0.000 2.508 498 N HA 0.124 4.864 4.740 -0.000 0.000 0.264 498 N C -1.116 174.526 175.510 0.221 0.000 1.216 498 N CA -0.145 53.007 53.050 0.170 0.000 0.943 498 N CB 0.282 38.824 38.487 0.091 0.000 1.113 498 N HN 0.792 nan 8.380 nan 0.000 0.447 499 D N 0.658 121.130 120.400 0.120 0.000 2.488 499 D HA 0.073 4.713 4.640 -0.000 0.000 0.238 499 D C -0.489 175.851 176.300 0.068 0.000 1.138 499 D CA 0.344 54.409 54.000 0.108 0.000 0.873 499 D CB 0.341 41.175 40.800 0.056 0.000 1.183 499 D HN 0.303 nan 8.370 nan 0.000 0.458 500 I N 3.000 123.614 120.570 0.074 0.000 2.378 500 I HA 0.149 4.319 4.170 -0.000 0.000 0.291 500 I C -0.279 175.806 176.117 -0.054 0.000 0.992 500 I CA -0.878 60.372 61.300 -0.083 0.000 1.154 500 I CB 1.737 39.574 38.000 -0.273 0.000 1.315 500 I HN 0.391 nan 8.210 nan 0.000 0.448 501 D N 5.986 126.327 120.400 -0.099 0.000 2.393 501 D HA 0.128 4.768 4.640 -0.000 0.000 0.232 501 D C 0.612 176.859 176.300 -0.089 0.000 1.192 501 D CA 0.023 54.006 54.000 -0.028 0.000 0.882 501 D CB 0.520 41.303 40.800 -0.028 0.000 1.038 501 D HN 0.299 nan 8.370 nan 0.000 0.499 502 F N 1.416 121.364 119.950 -0.004 0.000 2.502 502 F HA -0.149 4.378 4.527 -0.000 0.000 0.298 502 F C 2.669 178.453 175.800 -0.027 0.000 1.111 502 F CA 0.720 58.713 58.000 -0.011 0.000 1.445 502 F CB 0.038 39.040 39.000 0.004 0.000 1.081 502 F HN 0.382 nan 8.300 nan 0.000 0.558 503 S N -0.115 115.651 115.700 0.109 0.000 2.402 503 S HA -0.176 4.294 4.470 -0.000 0.000 0.229 503 S C 1.882 176.465 174.600 -0.029 0.000 1.021 503 S CA 0.897 59.111 58.200 0.024 0.000 0.974 503 S CB -0.358 62.844 63.200 0.005 0.000 0.800 503 S HN 0.386 nan 8.310 nan 0.000 0.484 504 K N 0.511 120.885 120.400 -0.044 0.000 2.076 504 K HA 0.142 4.462 4.320 -0.000 0.000 0.204 504 K C 2.026 178.566 176.600 -0.101 0.000 1.051 504 K CA 0.924 57.166 56.287 -0.074 0.000 0.949 504 K CB -0.281 32.173 32.500 -0.077 0.000 0.726 504 K HN 0.293 nan 8.250 nan 0.000 0.443 505 I N 1.735 122.227 120.570 -0.130 0.000 2.151 505 I HA -0.276 3.893 4.170 -0.000 0.000 0.243 505 I C 2.538 178.606 176.117 -0.081 0.000 1.080 505 I CA 1.521 62.735 61.300 -0.143 0.000 1.339 505 I CB -1.461 36.394 38.000 -0.242 0.000 1.039 505 I HN 0.107 nan 8.210 nan 0.000 0.409 506 A N 0.435 123.240 122.820 -0.026 0.000 1.908 506 A HA -0.280 4.039 4.320 -0.000 0.000 0.218 506 A C 2.144 179.677 177.584 -0.085 0.000 1.181 506 A CA 2.175 54.196 52.037 -0.028 0.000 0.627 506 A CB -0.824 18.178 19.000 0.003 0.000 0.818 506 A HN 0.433 nan 8.150 nan 0.000 0.445 507 D N -0.372 119.973 120.400 -0.093 0.000 2.123 507 D HA -0.092 4.548 4.640 -0.000 0.000 0.196 507 D C 2.006 178.188 176.300 -0.197 0.000 0.992 507 D CA 1.699 55.636 54.000 -0.106 0.000 0.833 507 D CB -0.615 40.135 40.800 -0.082 0.000 0.954 507 D HN 0.315 nan 8.370 nan 0.000 0.455 508 G N 0.053 108.730 108.800 -0.206 0.000 2.450 508 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.220 508 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.220 508 G C 1.556 176.169 174.900 -0.478 0.000 1.130 508 G CA 1.439 46.370 45.100 -0.283 0.000 0.760 508 G HN 0.427 nan 8.290 nan 0.000 0.557 509 V N -3.716 115.983 119.914 -0.358 0.000 3.647 509 V HA 0.278 4.397 4.120 -0.000 0.000 0.279 509 V C 0.852 176.785 176.094 -0.268 0.000 1.314 509 V CA 0.275 62.390 62.300 -0.308 0.000 1.125 509 V CB -1.034 30.720 31.823 -0.115 0.000 0.907 509 V HN 0.537 nan 8.190 nan 0.000 0.434 510 H N -1.161 117.885 119.070 -0.040 0.000 2.933 510 H HA -0.141 4.415 4.556 -0.000 0.000 0.301 510 H C -0.061 175.238 175.328 -0.049 0.000 1.280 510 H CA 1.172 57.193 56.048 -0.046 0.000 1.155 510 H CB -1.611 28.123 29.762 -0.046 0.000 1.379 510 H HN 0.695 nan 8.280 nan 0.000 0.419 511 M N 0.921 120.520 119.600 -0.002 0.000 2.364 511 M HA 0.273 4.753 4.480 -0.000 0.000 0.334 511 M C 0.122 176.395 176.300 -0.045 0.000 1.107 511 M CA -0.523 54.769 55.300 -0.013 0.000 0.988 511 M CB 1.426 34.016 32.600 -0.017 0.000 1.673 511 M HN 0.153 nan 8.290 nan 0.000 0.441 512 Q N 2.366 122.133 119.800 -0.055 0.000 2.361 512 Q HA 0.505 4.845 4.340 -0.000 0.000 0.276 512 Q C -0.890 174.999 176.000 -0.186 0.000 1.022 512 Q CA 0.112 55.833 55.803 -0.136 0.000 0.898 512 Q CB 0.983 29.650 28.738 -0.118 0.000 1.246 512 Q HN 0.740 nan 8.270 nan 0.000 0.410 513 A N 2.293 124.896 122.820 -0.361 0.000 2.606 513 A HA 0.786 5.106 4.320 -0.000 0.000 0.293 513 A C -1.762 175.450 177.584 -0.621 0.000 1.082 513 A CA -0.660 51.187 52.037 -0.317 0.000 0.685 513 A CB 1.154 20.085 19.000 -0.115 0.000 1.284 513 A HN 0.557 nan 8.150 nan 0.000 0.408 514 F N -0.241 119.676 119.950 -0.056 0.000 2.588 514 F HA 0.802 5.329 4.527 -0.000 0.000 0.314 514 F C 0.202 175.974 175.800 -0.048 0.000 1.069 514 F CA -0.486 57.480 58.000 -0.057 0.000 0.931 514 F CB 2.412 41.358 39.000 -0.091 0.000 1.260 514 F HN 0.659 nan 8.300 nan 0.000 0.465 515 R N 1.784 122.377 120.500 0.155 0.000 2.480 515 R HA 0.827 5.167 4.340 -0.000 0.000 0.306 515 R C -1.900 174.448 176.300 0.079 0.000 0.958 515 R CA -0.675 55.480 56.100 0.091 0.000 0.861 515 R CB 1.609 31.946 30.300 0.061 0.000 1.171 515 R HN 0.627 nan 8.270 nan 0.000 0.445 516 V N 2.317 122.259 119.914 0.047 0.000 2.914 516 V HA 0.617 4.737 4.120 -0.000 0.000 0.314 516 V C -0.500 175.604 176.094 0.016 0.000 1.084 516 V CA -0.721 61.598 62.300 0.033 0.000 0.963 516 V CB 2.136 33.977 31.823 0.031 0.000 1.025 516 V HN 1.020 nan 8.190 nan 0.000 0.432 517 N N 0.559 119.267 118.700 0.013 0.000 2.082 517 N HA 0.233 4.973 4.740 -0.000 0.000 0.228 517 N C -0.309 175.199 175.510 -0.004 0.000 1.341 517 N CA -0.452 52.599 53.050 0.002 0.000 0.873 517 N CB 0.575 39.064 38.487 0.005 0.000 1.137 517 N HN 0.768 nan 8.380 nan 0.000 0.505 518 K N 0.189 120.589 120.400 -0.001 0.000 2.375 518 K HA 0.498 4.818 4.320 -0.000 0.000 0.249 518 K C 0.750 177.346 176.600 -0.008 0.000 0.942 518 K CA -0.712 55.572 56.287 -0.005 0.000 0.806 518 K CB 2.588 35.087 32.500 -0.001 0.000 1.227 518 K HN -0.203 nan 8.250 nan 0.000 0.430 519 I N 1.943 122.503 120.570 -0.016 0.000 2.208 519 I HA -0.316 3.854 4.170 -0.000 0.000 0.245 519 I C 2.199 178.304 176.117 -0.021 0.000 1.097 519 I CA 1.446 62.731 61.300 -0.025 0.000 1.363 519 I CB -0.108 37.874 38.000 -0.030 0.000 1.051 519 I HN 0.718 nan 8.210 nan 0.000 0.413 520 E N 1.207 121.399 120.200 -0.014 0.000 2.409 520 E HA -0.246 4.104 4.350 -0.000 0.000 0.198 520 E C 1.651 178.249 176.600 -0.004 0.000 1.024 520 E CA 0.935 57.328 56.400 -0.012 0.000 0.861 520 E CB -0.391 29.304 29.700 -0.009 0.000 0.788 520 E HN 0.642 nan 8.360 nan 0.000 0.521 521 Q N 0.466 120.268 119.800 0.003 0.000 2.378 521 Q HA 0.112 4.452 4.340 -0.000 0.000 0.205 521 Q C 2.364 178.379 176.000 0.024 0.000 0.954 521 Q CA 0.361 56.170 55.803 0.010 0.000 0.901 521 Q CB -0.018 28.729 28.738 0.016 0.000 0.981 521 Q HN 0.283 nan 8.270 nan 0.000 0.483 522 L N 0.760 122.006 121.223 0.038 0.000 1.989 522 L HA -0.177 4.163 4.340 -0.000 0.000 0.211 522 L C -0.638 176.306 176.870 0.123 0.000 1.071 522 L CA 1.461 56.366 54.840 0.108 0.000 0.749 522 L CB -1.680 40.367 42.059 -0.020 0.000 0.890 522 L HN 0.160 nan 8.230 nan 0.000 0.431 523 P HA -0.203 nan 4.420 nan 0.000 0.214 523 P C 1.042 178.362 177.300 0.033 0.000 1.163 523 P CA 1.727 64.840 63.100 0.021 0.000 0.889 523 P CB 0.017 31.712 31.700 -0.008 0.000 0.790 524 D N -1.177 119.221 120.400 -0.003 0.000 2.149 524 D HA -0.108 4.532 4.640 -0.000 0.000 0.201 524 D C 1.806 178.021 176.300 -0.142 0.000 0.972 524 D CA 0.695 54.669 54.000 -0.044 0.000 0.835 524 D CB -0.548 40.230 40.800 -0.036 0.000 0.966 524 D HN -0.172 nan 8.370 nan 0.000 0.476 525 V N -0.060 119.734 119.914 -0.200 0.000 2.295 525 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 525 V C 2.107 177.886 176.094 -0.526 0.000 1.049 525 V CA 1.492 63.458 62.300 -0.557 0.000 1.024 525 V CB -0.660 30.885 31.823 -0.462 0.000 0.648 525 V HN 0.211 nan 8.190 nan 0.000 0.447 526 F N 0.036 119.834 119.950 -0.254 0.000 2.171 526 F HA -0.104 4.423 4.527 -0.000 0.000 0.300 526 F C 2.542 178.282 175.800 -0.101 0.000 1.090 526 F CA 1.389 59.306 58.000 -0.139 0.000 1.293 526 F CB -0.345 38.617 39.000 -0.062 0.000 1.013 526 F HN 0.125 nan 8.300 nan 0.000 0.486 527 E N 0.288 120.520 120.200 0.053 0.000 2.077 527 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 527 E C 2.170 178.753 176.600 -0.028 0.000 0.989 527 E CA 1.207 57.618 56.400 0.018 0.000 0.800 527 E CB -0.561 29.146 29.700 0.011 0.000 0.746 527 E HN 0.550 nan 8.360 nan 0.000 0.452 528 Q N 0.131 119.864 119.800 -0.111 0.000 2.050 528 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 528 Q C 2.205 178.191 176.000 -0.023 0.000 0.980 528 Q CA 1.512 57.272 55.803 -0.071 0.000 0.840 528 Q CB -0.223 28.435 28.738 -0.133 0.000 0.898 528 Q HN 0.238 nan 8.270 nan 0.000 0.424 529 A N 1.684 124.422 122.820 -0.137 0.000 1.883 529 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 529 A C 2.034 179.607 177.584 -0.017 0.000 1.186 529 A CA 1.779 53.788 52.037 -0.046 0.000 0.624 529 A CB -0.545 18.337 19.000 -0.198 0.000 0.822 529 A HN 0.260 nan 8.150 nan 0.000 0.444 530 K N -0.346 120.053 120.400 -0.001 0.000 2.074 530 K HA -0.167 4.153 4.320 -0.000 0.000 0.209 530 K C 2.128 178.718 176.600 -0.016 0.000 1.048 530 K CA 1.476 57.767 56.287 0.007 0.000 0.926 530 K CB -0.345 32.187 32.500 0.054 0.000 0.713 530 K HN 0.387 nan 8.250 nan 0.000 0.444 531 A N 1.172 123.995 122.820 0.004 0.000 1.873 531 A HA -0.094 4.226 4.320 -0.000 0.000 0.215 531 A C 2.104 179.698 177.584 0.016 0.000 1.186 531 A CA 1.396 53.439 52.037 0.010 0.000 0.616 531 A CB -0.540 18.480 19.000 0.035 0.000 0.823 531 A HN 0.342 nan 8.150 nan 0.000 0.442 532 I N 0.073 120.672 120.570 0.048 0.000 2.208 532 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 532 I C 2.604 178.735 176.117 0.024 0.000 1.097 532 I CA 1.202 62.543 61.300 0.069 0.000 1.363 532 I CB -0.170 37.892 38.000 0.103 0.000 1.051 532 I HN 0.334 nan 8.210 nan 0.000 0.413 533 A N -0.235 122.571 122.820 -0.025 0.000 2.252 533 A HA -0.084 4.236 4.320 -0.000 0.000 0.207 533 A C 1.955 179.461 177.584 -0.130 0.000 1.194 533 A CA 0.517 52.511 52.037 -0.072 0.000 0.809 533 A CB -0.272 18.659 19.000 -0.115 0.000 0.814 533 A HN 0.357 nan 8.150 nan 0.000 0.482 534 Q N -0.653 119.034 119.800 -0.188 0.000 2.291 534 Q HA -0.119 4.221 4.340 -0.000 0.000 0.205 534 Q C 0.663 176.301 176.000 -0.604 0.000 0.970 534 Q CA 1.763 57.319 55.803 -0.410 0.000 0.876 534 Q CB -0.219 28.204 28.738 -0.526 0.000 0.935 534 Q HN 0.968 nan 8.270 nan 0.000 0.455 535 H N -1.961 117.112 119.070 0.004 0.000 3.580 535 H HA 0.260 4.815 4.556 -0.000 0.000 0.245 535 H C -0.120 175.231 175.328 0.037 0.000 1.015 535 H CA -0.151 55.905 56.048 0.015 0.000 1.113 535 H CB 1.192 30.962 29.762 0.012 0.000 1.469 535 H HN -0.103 nan 8.280 nan 0.000 0.554 536 E N 0.931 121.205 120.200 0.125 0.000 2.383 536 E HA 0.267 4.617 4.350 -0.000 0.000 0.275 536 E C -2.786 173.840 176.600 0.043 0.000 0.918 536 E CA -2.312 54.147 56.400 0.099 0.000 0.764 536 E CB 2.390 32.153 29.700 0.104 0.000 1.252 536 E HN -0.049 nan 8.360 nan 0.000 0.449 537 P HA 0.174 nan 4.420 nan 0.000 0.272 537 P C -0.467 176.838 177.300 0.008 0.000 1.230 537 P CA -0.259 62.845 63.100 0.005 0.000 0.788 537 P CB 1.054 32.757 31.700 0.005 0.000 0.949 538 V N 2.837 122.753 119.914 0.003 0.000 3.049 538 V HA 0.616 4.736 4.120 -0.000 0.000 0.309 538 V C -1.445 174.661 176.094 0.021 0.000 1.148 538 V CA -1.107 61.206 62.300 0.022 0.000 0.990 538 V CB 2.242 34.102 31.823 0.062 0.000 1.039 538 V HN 0.476 nan 8.190 nan 0.000 0.430 539 L N 5.522 126.765 121.223 0.033 0.000 2.410 539 L HA 0.719 5.059 4.340 -0.000 0.000 0.270 539 L C -1.374 175.527 176.870 0.052 0.000 0.983 539 L CA -0.399 54.460 54.840 0.030 0.000 0.822 539 L CB 1.824 43.908 42.059 0.041 0.000 1.285 539 L HN 0.690 nan 8.230 nan 0.000 0.409 540 I N 3.931 124.489 120.570 -0.019 0.000 2.362 540 I HA 0.292 4.461 4.170 -0.000 0.000 0.289 540 I C -0.919 175.159 176.117 -0.065 0.000 0.994 540 I CA -0.399 60.863 61.300 -0.063 0.000 1.158 540 I CB 1.596 39.391 38.000 -0.343 0.000 1.315 540 I HN 0.512 nan 8.210 nan 0.000 0.451 541 D N 6.510 126.909 120.400 -0.001 0.000 2.396 541 D HA 0.418 5.058 4.640 -0.000 0.000 0.225 541 D C -0.371 175.912 176.300 -0.030 0.000 1.121 541 D CA -0.198 53.804 54.000 0.003 0.000 0.853 541 D CB 1.331 42.197 40.800 0.109 0.000 1.043 541 D HN 0.559 nan 8.370 nan 0.000 0.500 542 A N 4.272 127.022 122.820 -0.116 0.000 2.294 542 A HA 0.405 4.725 4.320 -0.000 0.000 0.316 542 A C -0.106 177.434 177.584 -0.074 0.000 1.359 542 A CA -0.700 51.261 52.037 -0.127 0.000 0.956 542 A CB 0.474 19.303 19.000 -0.284 0.000 1.155 542 A HN 0.403 nan 8.150 nan 0.000 0.544 543 V N 5.572 125.473 119.914 -0.023 0.000 2.397 543 V HA 0.168 4.288 4.120 -0.000 0.000 0.262 543 V C 0.448 176.532 176.094 -0.018 0.000 1.047 543 V CA 0.408 62.707 62.300 -0.002 0.000 1.003 543 V CB -0.879 30.950 31.823 0.010 0.000 1.037 543 V HN 0.720 nan 8.190 nan 0.000 0.480 544 I N 2.226 122.789 120.570 -0.013 0.000 2.822 544 I HA 0.761 4.931 4.170 -0.000 0.000 0.312 544 I C 0.740 176.835 176.117 -0.036 0.000 1.011 544 I CA -0.635 60.649 61.300 -0.026 0.000 1.105 544 I CB 1.971 39.970 38.000 -0.002 0.000 1.291 544 I HN 0.539 nan 8.210 nan 0.000 0.474 545 T N 0.161 114.683 114.554 -0.054 0.000 2.748 545 T HA 0.292 4.642 4.350 -0.000 0.000 0.304 545 T C 0.891 175.554 174.700 -0.062 0.000 1.041 545 T CA -0.131 61.936 62.100 -0.054 0.000 1.033 545 T CB 0.927 69.766 68.868 -0.049 0.000 0.995 545 T HN 0.948 nan 8.240 nan 0.000 0.536 546 G N 0.439 109.202 108.800 -0.062 0.000 3.591 546 G HA2 0.206 4.165 3.960 -0.000 0.000 0.282 546 G HA3 0.206 4.165 3.960 -0.000 0.000 0.282 546 G C -0.124 174.749 174.900 -0.045 0.000 1.238 546 G CA -0.554 44.504 45.100 -0.070 0.000 0.993 546 G HN 0.760 nan 8.290 nan 0.000 0.542 547 D N 0.788 121.172 120.400 -0.027 0.000 2.458 547 D HA 0.033 4.673 4.640 -0.000 0.000 0.243 547 D C 0.621 176.961 176.300 0.066 0.000 1.146 547 D CA 0.232 54.245 54.000 0.021 0.000 0.877 547 D CB 1.415 42.246 40.800 0.053 0.000 1.176 547 D HN 0.185 nan 8.370 nan 0.000 0.461 548 R N 3.518 124.088 120.500 0.117 0.000 2.401 548 R HA 0.143 4.483 4.340 -0.000 0.000 0.299 548 R C -2.167 174.327 176.300 0.323 0.000 1.064 548 R CA -1.118 55.100 56.100 0.196 0.000 1.000 548 R CB 0.512 30.956 30.300 0.240 0.000 0.973 548 R HN 0.216 nan 8.270 nan 0.000 0.438 549 P HA -0.046 nan 4.420 nan 0.000 0.271 549 P C -0.308 177.028 177.300 0.061 0.000 1.218 549 P CA -0.247 63.024 63.100 0.285 0.000 0.780 549 P CB 0.648 32.508 31.700 0.267 0.000 0.901 550 L N 4.546 125.755 121.223 -0.024 0.000 2.601 550 L HA 0.076 4.416 4.340 -0.000 0.000 0.277 550 L C -1.939 174.742 176.870 -0.315 0.000 1.219 550 L CA -1.122 53.400 54.840 -0.531 0.000 0.915 550 L CB -0.196 41.767 42.059 -0.160 0.000 1.160 550 L HN 0.267 nan 8.230 nan 0.000 0.494 551 P HA 0.117 nan 4.420 nan 0.000 0.280 551 P C -0.007 177.245 177.300 -0.080 0.000 1.386 551 P CA -0.317 62.678 63.100 -0.176 0.000 0.899 551 P CB 1.450 33.064 31.700 -0.143 0.000 1.098 552 A N 4.410 127.181 122.820 -0.082 0.000 2.070 552 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 552 A C 1.741 179.237 177.584 -0.147 0.000 1.159 552 A CA 1.249 53.204 52.037 -0.137 0.000 0.656 552 A CB -0.633 18.246 19.000 -0.202 0.000 0.800 552 A HN 0.553 nan 8.150 nan 0.000 0.453 553 E N 0.052 120.177 120.200 -0.125 0.000 2.479 553 E HA 0.013 4.363 4.350 -0.000 0.000 0.193 553 E C 0.139 176.676 176.600 -0.104 0.000 1.049 553 E CA 0.414 56.738 56.400 -0.126 0.000 0.870 553 E CB -0.053 29.564 29.700 -0.138 0.000 0.944 553 E HN 0.507 nan 8.360 nan 0.000 0.492 554 K N 1.400 121.754 120.400 -0.077 0.000 3.271 554 K HA 0.344 4.664 4.320 -0.000 0.000 0.192 554 K C -0.344 176.206 176.600 -0.083 0.000 1.108 554 K CA -0.287 55.971 56.287 -0.048 0.000 0.902 554 K CB 0.804 33.315 32.500 0.018 0.000 0.889 554 K HN 0.028 nan 8.250 nan 0.000 0.520 555 L N 1.912 123.000 121.223 -0.225 0.000 2.453 555 L HA 0.144 4.484 4.340 -0.000 0.000 0.272 555 L C 0.502 176.946 176.870 -0.709 0.000 1.182 555 L CA 0.143 54.653 54.840 -0.549 0.000 0.858 555 L CB 0.191 42.021 42.059 -0.382 0.000 1.120 555 L HN 0.057 nan 8.230 nan 0.000 0.474 556 R N 5.998 125.682 120.500 -1.361 0.000 2.443 556 R HA 0.371 4.711 4.340 -0.000 0.000 0.287 556 R C -0.105 175.817 176.300 -0.630 0.000 1.425 556 R CA -0.128 55.525 56.100 -0.745 0.000 1.300 556 R CB 0.815 30.866 30.300 -0.416 0.000 1.129 556 R HN 0.717 nan 8.270 nan 0.000 0.577 557 L N -0.795 120.190 121.223 -0.397 0.000 3.406 557 L HA 0.241 4.581 4.340 -0.000 0.000 0.309 557 L C 0.111 176.892 176.870 -0.147 0.000 1.159 557 L CA -0.020 54.684 54.840 -0.226 0.000 1.122 557 L CB 0.744 42.681 42.059 -0.204 0.000 1.633 557 L HN 0.188 nan 8.230 nan 0.000 0.607 558 D N -0.003 120.305 120.400 -0.154 0.000 2.373 558 D HA 0.188 4.828 4.640 -0.000 0.000 0.227 558 D C 0.940 177.185 176.300 -0.092 0.000 1.091 558 D CA 0.094 54.026 54.000 -0.114 0.000 0.840 558 D CB 1.844 42.578 40.800 -0.110 0.000 1.060 558 D HN -0.142 nan 8.370 nan 0.000 0.502 559 S N 2.451 118.106 115.700 -0.075 0.000 2.423 559 S HA -0.224 4.246 4.470 -0.000 0.000 0.238 559 S C 1.768 176.336 174.600 -0.053 0.000 1.028 559 S CA 1.429 59.594 58.200 -0.058 0.000 1.000 559 S CB 0.057 63.227 63.200 -0.051 0.000 0.797 559 S HN 0.677 nan 8.310 nan 0.000 0.487 560 A N 0.289 123.077 122.820 -0.055 0.000 2.067 560 A HA 0.216 4.535 4.320 -0.000 0.000 0.217 560 A C 1.910 179.465 177.584 -0.048 0.000 1.156 560 A CA 0.735 52.745 52.037 -0.046 0.000 0.683 560 A CB -0.253 18.722 19.000 -0.042 0.000 0.808 560 A HN 0.522 nan 8.150 nan 0.000 0.455 561 M N -1.319 118.244 119.600 -0.061 0.000 2.379 561 M HA 0.182 4.662 4.480 -0.000 0.000 0.265 561 M C -0.331 175.928 176.300 -0.068 0.000 1.095 561 M CA 0.284 55.545 55.300 -0.065 0.000 1.075 561 M CB 0.734 33.287 32.600 -0.078 0.000 1.443 561 M HN 0.149 nan 8.290 nan 0.000 0.519 562 S N 0.304 115.961 115.700 -0.072 0.000 2.570 562 S HA 0.470 4.940 4.470 -0.000 0.000 0.286 562 S C -0.194 174.377 174.600 -0.048 0.000 1.099 562 S CA -1.026 57.134 58.200 -0.067 0.000 0.913 562 S CB 1.972 65.114 63.200 -0.096 0.000 1.085 562 S HN 0.364 nan 8.310 nan 0.000 0.480 563 S N 1.265 116.945 115.700 -0.034 0.000 2.579 563 S HA 0.476 4.945 4.470 -0.000 0.000 0.275 563 S C 1.420 176.009 174.600 -0.019 0.000 1.345 563 S CA -0.224 57.962 58.200 -0.023 0.000 1.031 563 S CB 0.694 63.885 63.200 -0.015 0.000 0.892 563 S HN 0.943 nan 8.310 nan 0.000 0.529 564 A N 2.790 125.601 122.820 -0.015 0.000 1.917 564 A HA 0.041 4.360 4.320 -0.000 0.000 0.219 564 A C 2.442 180.028 177.584 0.003 0.000 1.182 564 A CA 2.073 54.105 52.037 -0.009 0.000 0.633 564 A CB -1.735 17.260 19.000 -0.009 0.000 0.819 564 A HN 1.423 nan 8.150 nan 0.000 0.448 565 A N -0.064 122.758 122.820 0.004 0.000 1.883 565 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 565 A C 1.805 179.405 177.584 0.026 0.000 1.186 565 A CA 2.049 54.093 52.037 0.012 0.000 0.624 565 A CB -0.688 18.316 19.000 0.007 0.000 0.822 565 A HN 0.460 nan 8.150 nan 0.000 0.444 566 D N -0.170 120.243 120.400 0.022 0.000 2.144 566 D HA -0.095 4.545 4.640 -0.000 0.000 0.199 566 D C 1.818 178.161 176.300 0.072 0.000 0.984 566 D CA 1.084 55.109 54.000 0.041 0.000 0.834 566 D CB -0.307 40.502 40.800 0.014 0.000 0.955 566 D HN 0.543 nan 8.370 nan 0.000 0.465 567 I N 0.876 121.469 120.570 0.037 0.000 2.202 567 I HA -0.190 3.980 4.170 -0.000 0.000 0.242 567 I C 2.238 178.424 176.117 0.116 0.000 1.091 567 I CA 0.891 62.223 61.300 0.053 0.000 1.368 567 I CB -0.067 37.932 38.000 -0.002 0.000 1.058 567 I HN -0.133 nan 8.210 nan 0.000 0.410 568 E N 0.986 121.229 120.200 0.072 0.000 2.110 568 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 568 E C 2.302 178.948 176.600 0.077 0.000 0.988 568 E CA 1.381 57.821 56.400 0.066 0.000 0.804 568 E CB -0.345 29.375 29.700 0.035 0.000 0.745 568 E HN 0.492 nan 8.360 nan 0.000 0.458 569 A N 0.586 123.456 122.820 0.083 0.000 1.877 569 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 569 A C 2.160 179.794 177.584 0.084 0.000 1.186 569 A CA 1.338 53.413 52.037 0.062 0.000 0.620 569 A CB -0.902 18.135 19.000 0.063 0.000 0.822 569 A HN 0.304 nan 8.150 nan 0.000 0.443 570 F N 0.730 120.698 119.950 0.031 0.000 2.102 570 F HA -0.171 4.356 4.527 -0.000 0.000 0.298 570 F C 2.224 178.096 175.800 0.121 0.000 1.105 570 F CA 2.242 60.316 58.000 0.124 0.000 1.239 570 F CB -0.132 38.955 39.000 0.146 0.000 0.991 570 F HN 0.109 nan 8.300 nan 0.000 0.474 571 K N -0.316 120.266 120.400 0.302 0.000 2.063 571 K HA -0.271 4.049 4.320 -0.000 0.000 0.208 571 K C 2.097 178.712 176.600 0.025 0.000 1.048 571 K CA 1.728 58.113 56.287 0.164 0.000 0.928 571 K CB -0.352 32.242 32.500 0.156 0.000 0.713 571 K HN 0.294 nan 8.250 nan 0.000 0.442 572 Q N 1.298 121.093 119.800 -0.010 0.000 1.993 572 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 572 Q C 2.043 177.952 176.000 -0.151 0.000 0.984 572 Q CA 1.691 57.460 55.803 -0.057 0.000 0.837 572 Q CB -0.132 28.577 28.738 -0.049 0.000 0.902 572 Q HN 0.152 nan 8.270 nan 0.000 0.423 573 R N -1.417 118.895 120.500 -0.312 0.000 2.096 573 R HA -0.155 4.185 4.340 -0.000 0.000 0.235 573 R C 0.832 176.789 176.300 -0.571 0.000 1.127 573 R CA 1.526 57.289 56.100 -0.561 0.000 0.968 573 R CB -0.098 29.627 30.300 -0.957 0.000 0.861 573 R HN 0.355 nan 8.270 nan 0.000 0.440 574 Y N 0.822 121.008 120.300 -0.191 0.000 2.571 574 Y HA 0.232 4.782 4.550 -0.000 0.000 0.275 574 Y C -0.282 175.633 175.900 0.025 0.000 1.179 574 Y CA -0.318 57.691 58.100 -0.152 0.000 1.242 574 Y CB 0.063 38.254 38.460 -0.449 0.000 1.126 574 Y HN 0.142 nan 8.280 nan 0.000 0.524 575 E N -0.640 119.618 120.200 0.096 0.000 2.360 575 E HA -0.267 4.083 4.350 -0.000 0.000 0.238 575 E C 0.665 177.416 176.600 0.253 0.000 1.186 575 E CA 0.454 56.928 56.400 0.125 0.000 0.719 575 E CB -1.303 28.441 29.700 0.072 0.000 1.236 575 E HN 0.506 nan 8.360 nan 0.000 0.386 576 A N 0.283 123.210 122.820 0.178 0.000 2.545 576 A HA 0.179 4.499 4.320 -0.000 0.000 0.277 576 A C 1.509 179.165 177.584 0.120 0.000 1.301 576 A CA -0.196 51.916 52.037 0.125 0.000 0.935 576 A CB 0.299 19.306 19.000 0.010 0.000 1.093 576 A HN 0.138 nan 8.150 nan 0.000 0.519 577 Q N 0.471 120.339 119.800 0.113 0.000 2.135 577 Q HA -0.156 4.184 4.340 -0.000 0.000 0.204 577 Q C 0.633 176.680 176.000 0.078 0.000 0.981 577 Q CA 1.961 57.815 55.803 0.085 0.000 0.856 577 Q CB -0.024 28.750 28.738 0.061 0.000 0.902 577 Q HN 0.550 nan 8.270 nan 0.000 0.425 578 D N -0.741 119.716 120.400 0.095 0.000 2.339 578 D HA 0.064 4.704 4.640 -0.000 0.000 0.217 578 D C -0.132 176.228 176.300 0.099 0.000 1.050 578 D CA 0.118 54.171 54.000 0.088 0.000 0.856 578 D CB 0.245 41.098 40.800 0.087 0.000 0.922 578 D HN 0.229 nan 8.370 nan 0.000 0.518 579 L N 1.665 122.942 121.223 0.089 0.000 2.416 579 L HA 0.075 4.415 4.340 -0.000 0.000 0.272 579 L C 0.480 177.391 176.870 0.068 0.000 1.161 579 L CA 0.017 54.907 54.840 0.082 0.000 0.845 579 L CB 0.698 42.763 42.059 0.010 0.000 1.119 579 L HN -0.223 nan 8.230 nan 0.000 0.464 580 Q N 4.632 124.486 119.800 0.090 0.000 2.306 580 Q HA 0.491 4.831 4.340 -0.000 0.000 0.265 580 Q C -2.314 173.675 176.000 -0.019 0.000 1.022 580 Q CA -2.025 53.771 55.803 -0.013 0.000 0.853 580 Q CB 1.852 30.512 28.738 -0.130 0.000 1.327 580 Q HN 0.322 nan 8.270 nan 0.000 0.449 581 P HA 0.034 nan 4.420 nan 0.000 0.274 581 P C 0.753 178.011 177.300 -0.070 0.000 1.237 581 P CA -0.460 62.586 63.100 -0.089 0.000 0.793 581 P CB 0.942 32.572 31.700 -0.116 0.000 0.977 582 L N 2.767 123.987 121.223 -0.005 0.000 2.081 582 L HA -0.237 4.103 4.340 -0.000 0.000 0.212 582 L C 2.421 179.315 176.870 0.040 0.000 1.080 582 L CA 2.791 57.678 54.840 0.078 0.000 0.754 582 L CB -1.695 40.376 42.059 0.020 0.000 0.893 582 L HN 0.503 nan 8.230 nan 0.000 0.433 583 S N -2.396 113.291 115.700 -0.021 0.000 2.387 583 S HA -0.268 4.202 4.470 -0.000 0.000 0.230 583 S C 1.890 176.442 174.600 -0.079 0.000 1.035 583 S CA 1.815 59.999 58.200 -0.026 0.000 1.014 583 S CB -1.484 61.690 63.200 -0.044 0.000 0.836 583 S HN 0.592 nan 8.310 nan 0.000 0.466 584 T N 1.287 115.714 114.554 -0.211 0.000 2.684 584 T HA -0.079 4.271 4.350 -0.000 0.000 0.267 584 T C 1.448 175.951 174.700 -0.328 0.000 1.036 584 T CA 1.893 63.784 62.100 -0.348 0.000 1.148 584 T CB -0.560 67.962 68.868 -0.577 0.000 0.863 584 T HN 0.615 nan 8.240 nan 0.000 0.436 585 Y N 1.082 121.402 120.300 0.034 0.000 2.263 585 Y HA 0.151 4.701 4.550 -0.000 0.000 0.292 585 Y C 2.224 178.245 175.900 0.201 0.000 1.130 585 Y CA 0.043 58.213 58.100 0.117 0.000 1.179 585 Y CB -0.879 37.651 38.460 0.116 0.000 0.998 585 Y HN 0.130 nan 8.280 nan 0.000 0.532 586 L N 0.119 121.491 121.223 0.248 0.000 1.989 586 L HA -0.293 4.047 4.340 -0.000 0.000 0.211 586 L C 2.339 179.315 176.870 0.176 0.000 1.071 586 L CA 1.772 56.751 54.840 0.232 0.000 0.749 586 L CB -0.596 41.570 42.059 0.179 0.000 0.890 586 L HN 0.168 nan 8.230 nan 0.000 0.431 587 K N -0.424 120.022 120.400 0.076 0.000 2.063 587 K HA -0.265 4.055 4.320 -0.000 0.000 0.208 587 K C 2.154 178.744 176.600 -0.016 0.000 1.048 587 K CA 1.515 57.814 56.287 0.021 0.000 0.928 587 K CB -0.240 32.242 32.500 -0.029 0.000 0.713 587 K HN 0.315 nan 8.250 nan 0.000 0.442 588 Q N 0.043 119.801 119.800 -0.071 0.000 2.112 588 Q HA -0.176 4.164 4.340 -0.000 0.000 0.206 588 Q C 1.008 176.774 176.000 -0.390 0.000 0.987 588 Q CA 1.666 57.307 55.803 -0.270 0.000 0.858 588 Q CB 0.042 28.552 28.738 -0.380 0.000 0.905 588 Q HN 0.286 nan 8.270 nan 0.000 0.420 589 F N -1.248 118.746 119.950 0.073 0.000 2.660 589 F HA 0.321 4.848 4.527 -0.000 0.000 0.302 589 F C 1.182 177.028 175.800 0.077 0.000 1.103 589 F CA 0.528 58.575 58.000 0.077 0.000 1.340 589 F CB 1.004 40.058 39.000 0.090 0.000 1.048 589 F HN 0.213 nan 8.300 nan 0.000 0.551 590 G N 0.846 109.742 108.800 0.159 0.000 2.130 590 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.216 590 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.216 590 G C -0.167 174.806 174.900 0.121 0.000 0.999 590 G CA -0.365 44.804 45.100 0.115 0.000 0.686 590 G HN 0.264 nan 8.290 nan 0.000 0.515 591 L N 0.623 121.934 121.223 0.146 0.000 2.334 591 L HA 0.646 4.986 4.340 -0.000 0.000 0.272 591 L C 0.600 177.528 176.870 0.096 0.000 1.020 591 L CA -0.872 54.048 54.840 0.132 0.000 0.812 591 L CB 1.367 43.542 42.059 0.193 0.000 1.264 591 L HN 0.409 nan 8.230 nan 0.000 0.439 592 D N -0.985 119.457 120.400 0.070 0.000 2.539 592 D HA 0.396 5.036 4.640 -0.000 0.000 0.276 592 D C -0.978 175.353 176.300 0.052 0.000 1.206 592 D CA -0.613 53.415 54.000 0.047 0.000 1.081 592 D CB 0.756 41.572 40.800 0.026 0.000 1.142 592 D HN 0.288 nan 8.370 nan 0.000 0.595 593 D N 0.000 120.418 120.400 0.031 0.000 6.856 593 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 593 D CA 0.000 54.016 54.000 0.027 0.000 0.868 593 D CB 0.000 40.809 40.800 0.015 0.000 0.688 593 D HN 0.000 nan 8.370 nan 0.000 0.683