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 3ke0_1_B DATA FIRST_RESID 1 DATA SEQUENCE ARPcIPKSFG YSSVVcVcNA TYcDSFDPPT FPALGTFSRY ESTRSGRRME DATA SEQUENCE LSMGPIQANH TGTGLLLTLQ PEQKFQKVKG FGGAMTDAAA LNILALSPPA DATA SEQUENCE QNLLLKSYFS EEGIGYNIIR VPMASCDFSI RTYTYADTPD DFQLHNFSLP DATA SEQUENCE EEDTKLKIPL IHRALQLAQR PVSLLASPWT SPTWLKTNGA VNGKGSLKGQ DATA SEQUENCE PGDIYHQTWA RYFVKFLDAY AEHKLQFWAV TAENEPSAGL LSGYPFQCLG DATA SEQUENCE FTPEHQRDFI ARDLGPTLAN STHHNVRLLM LDDQRLLLPH WAKVVLTDPE DATA SEQUENCE AAKYVHGIAV HWYLDFLAPA KATLGETHRL FPNTMLFASE ACVGSKFWEQ DATA SEQUENCE SVRLGSWDRG MQYSHSIITS LLYHVVGWTD WNLALNPEGG PNWVRNFVDS DATA SEQUENCE PIIVDITKDT FYKQPMFYHL GHFSKFIPEG SQRVGLVASQ KNDLDAVALM DATA SEQUENCE HPDGSAVVVV LNRSSKDVPL TIKDPAVGFL ETISPGYSIH TYLWRRQ 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.556 177.584 -0.047 0.000 1.274 1 A CA 0.000 52.028 52.037 -0.014 0.000 0.836 1 A CB 0.000 18.984 19.000 -0.027 0.000 0.831 2 R N 1.457 121.893 120.500 -0.107 0.000 2.401 2 R HA 0.411 4.763 4.340 0.021 0.000 0.299 2 R C -2.449 173.804 176.300 -0.080 0.000 1.064 2 R CA -1.161 54.863 56.100 -0.127 0.000 1.000 2 R CB 0.059 30.124 30.300 -0.393 0.000 0.973 2 R HN 0.422 nan 8.270 nan 0.000 0.438 3 P HA 0.019 nan 4.420 nan 0.000 0.276 3 P C -0.059 177.301 177.300 0.100 0.000 1.252 3 P CA -0.758 62.363 63.100 0.035 0.000 0.802 3 P CB 0.705 32.432 31.700 0.045 0.000 1.035 4 c N 3.154 121.773 118.600 0.032 0.000 2.648 4 c HA 0.165 4.747 4.570 0.021 0.000 0.415 4 c C 0.635 174.749 174.090 0.039 0.000 1.366 4 c CA -0.508 55.848 56.329 0.045 0.000 1.756 4 c CB -1.978 40.513 42.510 -0.031 0.000 2.549 4 c HN 0.257 nan 8.230 nan 0.000 0.597 5 I N 9.659 130.255 120.570 0.043 0.000 2.294 5 I HA 0.265 4.448 4.170 0.021 0.000 0.295 5 I C -1.576 174.532 176.117 -0.016 0.000 1.098 5 I CA -2.535 58.734 61.300 -0.052 0.000 1.277 5 I CB 0.135 38.038 38.000 -0.162 0.000 1.434 5 I HN 0.577 nan 8.210 nan 0.000 0.498 6 P HA 0.333 nan 4.420 nan 0.000 0.278 6 P C -0.654 176.629 177.300 -0.028 0.000 1.238 6 P CA -0.531 62.563 63.100 -0.010 0.000 0.794 6 P CB 1.834 33.519 31.700 -0.026 0.000 0.955 7 K N 0.807 121.198 120.400 -0.015 0.000 2.546 7 K HA 0.501 4.833 4.320 0.021 0.000 0.264 7 K C -1.525 175.023 176.600 -0.086 0.000 0.937 7 K CA -0.606 55.618 56.287 -0.105 0.000 0.833 7 K CB 1.878 34.295 32.500 -0.138 0.000 1.378 7 K HN 0.334 nan 8.250 nan 0.000 0.432 8 S N 2.605 118.172 115.700 -0.220 0.000 2.482 8 S HA 0.607 5.090 4.470 0.021 0.000 0.303 8 S C -0.974 173.440 174.600 -0.310 0.000 1.091 8 S CA -0.599 57.537 58.200 -0.107 0.000 1.057 8 S CB 0.426 63.576 63.200 -0.083 0.000 1.031 8 S HN 0.498 nan 8.310 nan 0.000 0.485 9 F N 2.778 122.727 119.950 -0.002 0.000 2.855 9 F HA 0.415 4.954 4.527 0.020 0.000 0.317 9 F C 1.578 177.331 175.800 -0.079 0.000 1.169 9 F CA -0.028 57.971 58.000 -0.001 0.000 1.299 9 F CB 0.687 39.726 39.000 0.065 0.000 0.962 9 F HN 0.904 nan 8.300 nan 0.000 0.506 10 G N -0.892 107.898 108.800 -0.016 0.000 2.157 10 G HA2 -0.320 3.652 3.960 0.021 0.000 0.248 10 G HA3 -0.320 3.652 3.960 0.021 0.000 0.248 10 G C 0.045 174.727 174.900 -0.363 0.000 0.979 10 G CA -0.213 44.762 45.100 -0.209 0.000 0.650 10 G HN 0.368 nan 8.290 nan 0.000 0.529 11 Y N 0.507 120.865 120.300 0.096 0.000 2.534 11 Y HA 0.467 5.029 4.550 0.020 0.000 0.338 11 Y C 2.174 178.121 175.900 0.078 0.000 1.279 11 Y CA 0.137 58.291 58.100 0.090 0.000 1.436 11 Y CB 0.597 39.120 38.460 0.105 0.000 1.573 11 Y HN 0.202 nan 8.280 nan 0.000 0.567 12 S N -1.442 114.422 115.700 0.274 0.000 2.507 12 S HA 0.031 4.514 4.470 0.021 0.000 0.235 12 S C 0.593 175.274 174.600 0.135 0.000 0.988 12 S CA 0.800 59.095 58.200 0.158 0.000 0.944 12 S CB -0.139 63.151 63.200 0.149 0.000 0.762 12 S HN 0.457 nan 8.310 nan 0.000 0.526 13 S N -0.702 115.120 115.700 0.202 0.000 2.843 13 S HA 0.664 5.146 4.470 0.021 0.000 0.301 13 S C -1.024 173.687 174.600 0.185 0.000 1.206 13 S CA -0.250 58.048 58.200 0.163 0.000 0.875 13 S CB 1.000 64.351 63.200 0.252 0.000 1.248 13 S HN 0.697 nan 8.310 nan 0.000 0.555 14 V N 0.636 120.647 119.914 0.162 0.000 2.975 14 V HA 0.977 5.109 4.120 0.021 0.000 0.318 14 V C 0.063 176.275 176.094 0.196 0.000 1.077 14 V CA -0.492 61.897 62.300 0.148 0.000 1.000 14 V CB 1.024 32.889 31.823 0.069 0.000 1.066 14 V HN 0.946 nan 8.190 nan 0.000 0.452 15 V N -1.191 118.839 119.914 0.193 0.000 2.975 15 V HA 0.694 4.827 4.120 0.021 0.000 0.318 15 V C -0.011 176.193 176.094 0.184 0.000 1.077 15 V CA -0.603 61.823 62.300 0.211 0.000 1.000 15 V CB 1.319 33.249 31.823 0.178 0.000 1.066 15 V HN 1.088 nan 8.190 nan 0.000 0.452 16 c N 2.682 121.406 118.600 0.207 0.000 2.273 16 c HA 0.654 5.237 4.570 0.021 0.000 0.328 16 c C 0.362 174.523 174.090 0.118 0.000 1.275 16 c CA -0.643 55.771 56.329 0.141 0.000 1.704 16 c CB -0.078 42.530 42.510 0.163 0.000 2.326 16 c HN 0.741 nan 8.230 nan 0.000 0.517 17 V N 3.119 123.099 119.914 0.110 0.000 2.498 17 V HA 0.344 4.477 4.120 0.021 0.000 0.279 17 V C 0.301 176.314 176.094 -0.136 0.000 1.048 17 V CA -0.079 62.281 62.300 0.100 0.000 0.967 17 V CB 0.681 32.591 31.823 0.144 0.000 0.988 17 V HN 1.047 nan 8.190 nan 0.000 0.473 18 c N 5.159 123.480 118.600 -0.465 0.000 2.634 18 c HA 0.816 5.399 4.570 0.021 0.000 0.313 18 c C 0.204 173.938 174.090 -0.593 0.000 1.198 18 c CA -0.688 55.240 56.329 -0.668 0.000 1.605 18 c CB 1.464 43.088 42.510 -1.477 0.000 2.196 18 c HN 1.116 nan 8.230 nan 0.000 0.486 19 N N 0.511 119.047 118.700 -0.274 0.000 3.574 19 N HA 0.534 5.287 4.740 0.021 0.000 0.340 19 N C 0.308 175.825 175.510 0.013 0.000 1.650 19 N CA -0.037 52.948 53.050 -0.108 0.000 0.762 19 N CB 0.116 38.565 38.487 -0.063 0.000 2.206 19 N HN 0.468 nan 8.380 nan 0.000 0.621 20 A N -1.089 121.753 122.820 0.037 0.000 2.014 20 A HA 0.040 4.372 4.320 0.021 0.000 0.218 20 A C 1.517 179.131 177.584 0.051 0.000 1.163 20 A CA 2.215 54.285 52.037 0.055 0.000 0.652 20 A CB -1.208 17.816 19.000 0.040 0.000 0.808 20 A HN 0.876 nan 8.150 nan 0.000 0.449 21 T N -5.736 108.852 114.554 0.056 0.000 3.044 21 T HA 0.388 4.751 4.350 0.021 0.000 0.260 21 T C -0.171 174.597 174.700 0.114 0.000 1.019 21 T CA -0.162 61.978 62.100 0.068 0.000 0.921 21 T CB -0.219 68.687 68.868 0.064 0.000 1.053 21 T HN 0.334 nan 8.240 nan 0.000 0.533 22 Y N -0.192 120.078 120.300 -0.051 0.000 2.482 22 Y HA 0.539 5.101 4.550 0.020 0.000 0.334 22 Y C -1.724 174.105 175.900 -0.118 0.000 1.091 22 Y CA -1.419 56.639 58.100 -0.071 0.000 1.027 22 Y CB 1.705 40.121 38.460 -0.073 0.000 1.306 22 Y HN 0.274 nan 8.280 nan 0.000 0.446 23 c N 6.505 124.806 118.600 -0.498 0.000 2.985 23 c HA 0.354 4.937 4.570 0.021 0.000 0.332 23 c C -1.354 172.444 174.090 -0.486 0.000 1.164 23 c CA -0.831 55.309 56.329 -0.315 0.000 1.347 23 c CB 0.720 43.131 42.510 -0.165 0.000 1.764 23 c HN 0.927 nan 8.230 nan 0.000 0.489 24 D N 2.979 123.247 120.400 -0.220 0.000 2.423 24 D HA 0.398 5.051 4.640 0.021 0.000 0.238 24 D C -0.206 175.952 176.300 -0.235 0.000 1.142 24 D CA 0.471 54.354 54.000 -0.195 0.000 0.884 24 D CB 1.066 41.832 40.800 -0.056 0.000 1.199 24 D HN 0.883 nan 8.370 nan 0.000 0.438 25 S N -0.097 115.433 115.700 -0.284 0.000 2.587 25 S HA 0.575 5.058 4.470 0.021 0.000 0.269 25 S C -1.060 173.359 174.600 -0.302 0.000 1.154 25 S CA -1.092 56.954 58.200 -0.257 0.000 0.824 25 S CB 0.569 63.689 63.200 -0.134 0.000 1.118 25 S HN 0.350 nan 8.310 nan 0.000 0.462 26 F N 1.399 121.363 119.950 0.024 0.000 2.403 26 F HA 0.461 4.999 4.527 0.018 0.000 0.326 26 F C 1.073 176.889 175.800 0.027 0.000 1.081 26 F CA -0.482 57.545 58.000 0.044 0.000 1.041 26 F CB 0.705 39.727 39.000 0.038 0.000 1.234 26 F HN 0.542 nan 8.300 nan 0.000 0.503 27 D N 1.547 122.102 120.400 0.258 0.000 2.360 27 D HA 0.159 4.812 4.640 0.021 0.000 0.242 27 D C -2.214 174.173 176.300 0.144 0.000 1.184 27 D CA -0.853 53.238 54.000 0.153 0.000 0.930 27 D CB 0.307 41.181 40.800 0.122 0.000 1.161 27 D HN 0.111 nan 8.370 nan 0.000 0.447 28 P HA 0.095 nan 4.420 nan 0.000 0.266 28 P C -2.358 174.971 177.300 0.048 0.000 1.195 28 P CA -0.638 62.497 63.100 0.058 0.000 0.768 28 P CB -0.323 31.404 31.700 0.044 0.000 0.838 29 P HA 0.078 nan 4.420 nan 0.000 0.266 29 P C -0.638 176.659 177.300 -0.004 0.000 1.195 29 P CA 0.456 63.544 63.100 -0.019 0.000 0.768 29 P CB 0.344 31.997 31.700 -0.078 0.000 0.838 30 T N 2.645 117.193 114.554 -0.009 0.000 2.876 30 T HA 0.468 4.831 4.350 0.021 0.000 0.289 30 T C -0.646 174.047 174.700 -0.012 0.000 1.014 30 T CA -0.232 61.882 62.100 0.023 0.000 0.986 30 T CB 0.812 69.710 68.868 0.050 0.000 1.021 30 T HN 0.140 nan 8.240 nan 0.000 0.458 31 F N 4.007 123.997 119.950 0.066 0.000 2.410 31 F HA 0.391 4.929 4.527 0.020 0.000 0.349 31 F C -1.420 174.404 175.800 0.041 0.000 1.117 31 F CA -2.252 55.784 58.000 0.059 0.000 1.104 31 F CB 1.340 40.374 39.000 0.055 0.000 1.122 31 F HN 0.337 nan 8.300 nan 0.000 0.483 32 P HA 0.079 nan 4.420 nan 0.000 0.269 32 P C -0.844 176.537 177.300 0.134 0.000 1.209 32 P CA -0.350 62.864 63.100 0.190 0.000 0.776 32 P CB 0.690 32.503 31.700 0.189 0.000 0.876 33 A N 3.705 126.569 122.820 0.072 0.000 2.483 33 A HA 0.079 4.412 4.320 0.021 0.000 0.238 33 A C 0.639 178.249 177.584 0.042 0.000 1.070 33 A CA -0.462 51.601 52.037 0.043 0.000 0.770 33 A CB -0.336 18.680 19.000 0.026 0.000 1.008 33 A HN 0.749 nan 8.150 nan 0.000 0.497 34 L N 1.763 123.001 121.223 0.026 0.000 2.678 34 L HA 0.189 4.541 4.340 0.021 0.000 0.285 34 L C 1.386 178.279 176.870 0.038 0.000 1.233 34 L CA 1.807 56.667 54.840 0.034 0.000 0.920 34 L CB 0.020 42.089 42.059 0.018 0.000 1.176 34 L HN 1.395 nan 8.230 nan 0.000 0.495 35 G N 1.999 110.830 108.800 0.052 0.000 2.195 35 G HA2 -0.243 3.729 3.960 0.021 0.000 0.224 35 G HA3 -0.243 3.729 3.960 0.021 0.000 0.224 35 G C 0.166 175.090 174.900 0.040 0.000 0.990 35 G CA 0.196 45.319 45.100 0.038 0.000 0.639 35 G HN 0.967 nan 8.290 nan 0.000 0.514 36 T N -1.031 113.555 114.554 0.052 0.000 2.906 36 T HA 0.793 5.156 4.350 0.021 0.000 0.295 36 T C -0.436 174.334 174.700 0.116 0.000 1.075 36 T CA -0.339 61.764 62.100 0.004 0.000 1.005 36 T CB 2.430 71.254 68.868 -0.072 0.000 1.136 36 T HN 1.495 nan 8.240 nan 0.000 0.498 37 F N -0.262 119.730 119.950 0.070 0.000 2.538 37 F HA 0.859 5.392 4.527 0.009 0.000 0.325 37 F C -0.281 175.589 175.800 0.115 0.000 1.066 37 F CA -1.141 56.955 58.000 0.159 0.000 0.946 37 F CB 1.416 40.503 39.000 0.145 0.000 1.199 37 F HN 0.561 nan 8.300 nan 0.000 0.473 38 S N 2.099 117.975 115.700 0.293 0.000 2.585 38 S HA 0.513 4.996 4.470 0.021 0.000 0.277 38 S C -0.603 174.107 174.600 0.182 0.000 1.241 38 S CA -0.801 57.441 58.200 0.071 0.000 1.041 38 S CB 0.943 64.143 63.200 0.001 0.000 0.987 38 S HN 0.726 nan 8.310 nan 0.000 0.512 39 R N 2.102 122.538 120.500 -0.105 0.000 2.513 39 R HA 0.398 4.751 4.340 0.021 0.000 0.301 39 R C -1.969 174.012 176.300 -0.531 0.000 0.968 39 R CA -0.433 55.476 56.100 -0.318 0.000 0.872 39 R CB 0.847 31.011 30.300 -0.226 0.000 1.177 39 R HN 0.638 nan 8.270 nan 0.000 0.444 40 Y N 1.546 121.620 120.300 -0.377 0.000 2.377 40 Y HA 0.337 4.902 4.550 0.024 0.000 0.339 40 Y C -0.038 175.790 175.900 -0.120 0.000 1.011 40 Y CA -0.426 57.536 58.100 -0.231 0.000 1.093 40 Y CB 2.062 40.337 38.460 -0.308 0.000 1.201 40 Y HN 0.549 nan 8.280 nan 0.000 0.455 41 E N 1.450 121.738 120.200 0.147 0.000 2.292 41 E HA 0.624 4.987 4.350 0.021 0.000 0.272 41 E C -1.689 175.102 176.600 0.319 0.000 0.881 41 E CA -0.598 55.912 56.400 0.183 0.000 0.754 41 E CB 1.391 31.051 29.700 -0.066 0.000 1.201 41 E HN 0.584 nan 8.360 nan 0.000 0.425 42 S N 2.162 118.101 115.700 0.399 0.000 2.594 42 S HA 0.505 4.988 4.470 0.021 0.000 0.296 42 S C -0.747 174.070 174.600 0.362 0.000 1.124 42 S CA -0.768 57.652 58.200 0.368 0.000 1.011 42 S CB 1.679 65.159 63.200 0.468 0.000 1.016 42 S HN 0.631 nan 8.310 nan 0.000 0.485 43 T N -0.676 113.925 114.554 0.079 0.000 2.930 43 T HA 0.501 4.864 4.350 0.021 0.000 0.290 43 T C 0.802 174.903 174.700 -0.998 0.000 1.052 43 T CA -0.981 60.972 62.100 -0.245 0.000 1.017 43 T CB 1.636 70.427 68.868 -0.128 0.000 1.137 43 T HN 0.450 nan 8.240 nan 0.000 0.511 44 R N 0.607 120.274 120.500 -1.387 0.000 2.189 44 R HA -0.062 4.291 4.340 0.021 0.000 0.218 44 R C 2.000 177.941 176.300 -0.598 0.000 1.074 44 R CA 1.638 56.815 56.100 -1.539 0.000 0.991 44 R CB -0.577 28.904 30.300 -1.365 0.000 0.883 44 R HN 0.809 nan 8.270 nan 0.000 0.457 45 S N -1.558 113.915 115.700 -0.378 0.000 2.481 45 S HA 0.068 4.551 4.470 0.021 0.000 0.231 45 S C 1.308 175.818 174.600 -0.150 0.000 0.996 45 S CA 0.772 58.857 58.200 -0.191 0.000 0.942 45 S CB 0.473 63.600 63.200 -0.121 0.000 0.768 45 S HN 0.513 nan 8.310 nan 0.000 0.520 46 G N 0.649 109.341 108.800 -0.180 0.000 2.273 46 G HA2 -0.120 3.852 3.960 0.021 0.000 0.162 46 G HA3 -0.120 3.852 3.960 0.021 0.000 0.162 46 G C -0.004 174.846 174.900 -0.083 0.000 1.006 46 G CA -0.709 44.326 45.100 -0.108 0.000 0.704 46 G HN 0.452 nan 8.290 nan 0.000 0.487 47 R N 0.388 120.845 120.500 -0.072 0.000 2.623 47 R HA 0.472 4.824 4.340 0.021 0.000 0.271 47 R C -0.212 176.075 176.300 -0.022 0.000 1.043 47 R CA 0.123 56.205 56.100 -0.030 0.000 1.083 47 R CB 0.326 30.630 30.300 0.006 0.000 0.974 47 R HN -0.017 nan 8.270 nan 0.000 0.436 48 R N 3.663 124.132 120.500 -0.052 0.000 2.545 48 R HA 0.163 4.515 4.340 0.021 0.000 0.289 48 R C -0.168 176.151 176.300 0.032 0.000 1.327 48 R CA -0.602 55.401 56.100 -0.162 0.000 1.040 48 R CB 1.002 31.023 30.300 -0.465 0.000 1.176 48 R HN 0.780 nan 8.270 nan 0.000 0.518 49 M N 0.871 120.605 119.600 0.223 0.000 2.217 49 M HA -0.269 4.224 4.480 0.021 0.000 0.187 49 M C -0.293 176.256 176.300 0.415 0.000 0.642 49 M CA 1.246 56.773 55.300 0.379 0.000 0.450 49 M CB -1.181 31.733 32.600 0.523 0.000 1.039 49 M HN 0.402 nan 8.290 nan 0.000 0.916 50 E N 0.815 121.138 120.200 0.206 0.000 2.373 50 E HA 0.349 4.712 4.350 0.021 0.000 0.267 50 E C -0.390 176.184 176.600 -0.043 0.000 1.032 50 E CA -0.526 55.928 56.400 0.089 0.000 0.889 50 E CB 0.987 30.698 29.700 0.018 0.000 0.984 50 E HN 0.316 nan 8.360 nan 0.000 0.425 51 L N 3.210 124.354 121.223 -0.132 0.000 2.264 51 L HA 0.286 4.639 4.340 0.021 0.000 0.289 51 L C -0.591 176.110 176.870 -0.282 0.000 1.044 51 L CA 0.187 54.766 54.840 -0.434 0.000 0.807 51 L CB 0.888 42.717 42.059 -0.385 0.000 1.192 51 L HN 0.524 nan 8.230 nan 0.000 0.425 52 S N 5.317 120.827 115.700 -0.317 0.000 2.704 52 S HA 0.872 5.355 4.470 0.021 0.000 0.296 52 S C -0.699 173.743 174.600 -0.262 0.000 1.138 52 S CA -0.944 57.123 58.200 -0.221 0.000 0.875 52 S CB 1.898 65.010 63.200 -0.146 0.000 1.151 52 S HN 0.768 nan 8.310 nan 0.000 0.500 53 M N 0.740 120.173 119.600 -0.278 0.000 2.421 53 M HA 0.675 5.168 4.480 0.021 0.000 0.287 53 M C -1.164 174.801 176.300 -0.560 0.000 1.183 53 M CA -0.000 55.037 55.300 -0.438 0.000 0.916 53 M CB 1.544 33.969 32.600 -0.291 0.000 1.701 53 M HN 1.193 nan 8.290 nan 0.000 0.470 54 G N 3.591 111.732 108.800 -1.099 0.000 2.684 54 G HA2 0.835 4.808 3.960 0.021 0.000 0.290 54 G HA3 0.835 4.808 3.960 0.021 0.000 0.290 54 G C -3.436 171.040 174.900 -0.707 0.000 1.425 54 G CA -0.831 43.770 45.100 -0.831 0.000 0.822 54 G HN 0.448 nan 8.290 nan 0.000 0.482 55 P HA 0.510 nan 4.420 nan 0.000 0.287 55 P C -0.574 176.838 177.300 0.185 0.000 1.270 55 P CA -0.563 62.541 63.100 0.006 0.000 0.844 55 P CB 2.029 33.738 31.700 0.015 0.000 1.068 56 I N 2.596 123.245 120.570 0.132 0.000 2.315 56 I HA 0.152 4.334 4.170 0.021 0.000 0.291 56 I C 0.996 177.159 176.117 0.078 0.000 1.006 56 I CA -0.606 60.749 61.300 0.092 0.000 1.265 56 I CB 0.855 38.851 38.000 -0.008 0.000 1.387 56 I HN 0.166 nan 8.210 nan 0.000 0.475 57 Q N 4.329 124.194 119.800 0.108 0.000 2.340 57 Q HA 0.242 4.595 4.340 0.021 0.000 0.249 57 Q C 0.793 176.904 176.000 0.184 0.000 0.957 57 Q CA -0.168 55.709 55.803 0.124 0.000 0.882 57 Q CB 1.400 30.207 28.738 0.115 0.000 1.235 57 Q HN 0.823 nan 8.270 nan 0.000 0.439 58 A N 2.924 125.827 122.820 0.137 0.000 2.016 58 A HA -0.027 4.306 4.320 0.021 0.000 0.217 58 A C 0.299 178.024 177.584 0.236 0.000 1.162 58 A CA 0.893 53.027 52.037 0.162 0.000 0.662 58 A CB 0.107 19.159 19.000 0.088 0.000 0.812 58 A HN 0.768 nan 8.150 nan 0.000 0.450 59 N N -1.785 116.978 118.700 0.106 0.000 2.357 59 N HA 0.474 5.226 4.740 0.021 0.000 0.284 59 N C -1.211 174.064 175.510 -0.390 0.000 1.236 59 N CA -0.587 52.408 53.050 -0.093 0.000 0.774 59 N CB 1.516 39.965 38.487 -0.064 0.000 1.534 59 N HN 0.356 nan 8.380 nan 0.000 0.478 60 H N 0.220 118.802 119.070 -0.813 0.000 2.966 60 H HA 0.379 4.946 4.556 0.018 0.000 0.347 60 H C -1.629 173.420 175.328 -0.464 0.000 1.048 60 H CA -0.385 55.171 56.048 -0.820 0.000 1.295 60 H CB 1.387 30.192 29.762 -1.595 0.000 1.744 60 H HN 0.458 nan 8.280 nan 0.000 0.513 61 T N 3.527 117.574 114.554 -0.846 0.000 2.779 61 T HA 0.626 4.989 4.350 0.021 0.000 0.280 61 T C 0.074 174.302 174.700 -0.786 0.000 0.987 61 T CA 0.148 61.867 62.100 -0.636 0.000 0.966 61 T CB 1.320 69.993 68.868 -0.324 0.000 0.933 61 T HN 0.892 nan 8.240 nan 0.000 0.442 62 G N 0.883 109.357 108.800 -0.543 0.000 2.341 62 G HA2 0.331 4.304 3.960 0.021 0.000 0.293 62 G HA3 0.331 4.304 3.960 0.021 0.000 0.293 62 G C 0.035 174.869 174.900 -0.112 0.000 1.298 62 G CA 0.109 45.039 45.100 -0.284 0.000 0.868 62 G HN 0.539 nan 8.290 nan 0.000 0.540 63 T N -0.976 113.554 114.554 -0.041 0.000 3.004 63 T HA 0.447 4.810 4.350 0.021 0.000 0.266 63 T C 1.310 176.027 174.700 0.028 0.000 0.986 63 T CA 1.557 63.655 62.100 -0.004 0.000 0.902 63 T CB -0.619 68.240 68.868 -0.016 0.000 1.118 63 T HN 1.389 nan 8.240 nan 0.000 0.522 64 G N 1.623 110.453 108.800 0.050 0.000 2.653 64 G HA2 0.451 4.424 3.960 0.021 0.000 0.265 64 G HA3 0.451 4.424 3.960 0.021 0.000 0.265 64 G C -0.367 174.571 174.900 0.064 0.000 1.237 64 G CA -0.636 44.497 45.100 0.056 0.000 0.946 64 G HN 0.437 nan 8.290 nan 0.000 0.522 65 L N -0.472 120.772 121.223 0.034 0.000 2.410 65 L HA 0.530 4.883 4.340 0.021 0.000 0.273 65 L C -0.393 176.480 176.870 0.005 0.000 1.152 65 L CA -0.263 54.590 54.840 0.020 0.000 0.855 65 L CB 0.932 42.994 42.059 0.005 0.000 1.129 65 L HN 0.326 nan 8.230 nan 0.000 0.463 66 L N 6.107 127.338 121.223 0.013 0.000 2.349 66 L HA 0.545 4.898 4.340 0.021 0.000 0.278 66 L C -1.319 175.542 176.870 -0.015 0.000 0.996 66 L CA -0.224 54.611 54.840 -0.008 0.000 0.825 66 L CB 1.418 43.505 42.059 0.047 0.000 1.243 66 L HN 0.571 nan 8.230 nan 0.000 0.412 67 L N 4.851 126.045 121.223 -0.048 0.000 2.272 67 L HA 0.540 4.893 4.340 0.021 0.000 0.289 67 L C -0.320 176.523 176.870 -0.045 0.000 1.032 67 L CA -0.425 54.392 54.840 -0.038 0.000 0.810 67 L CB 1.554 43.585 42.059 -0.046 0.000 1.205 67 L HN 0.584 nan 8.230 nan 0.000 0.422 68 T N 3.944 118.486 114.554 -0.019 0.000 2.770 68 T HA 0.363 4.726 4.350 0.021 0.000 0.283 68 T C -0.188 174.512 174.700 -0.000 0.000 0.988 68 T CA -0.505 61.578 62.100 -0.028 0.000 0.957 68 T CB 1.635 70.495 68.868 -0.013 0.000 0.930 68 T HN 0.215 nan 8.240 nan 0.000 0.443 69 L N 3.695 124.920 121.223 0.003 0.000 2.453 69 L HA 0.186 4.539 4.340 0.021 0.000 0.272 69 L C 0.315 177.206 176.870 0.034 0.000 1.182 69 L CA 0.696 55.563 54.840 0.046 0.000 0.858 69 L CB 0.382 42.496 42.059 0.092 0.000 1.120 69 L HN 0.641 nan 8.230 nan 0.000 0.474 70 Q N 6.734 126.566 119.800 0.053 0.000 2.849 70 Q HA 0.248 4.601 4.340 0.021 0.000 0.289 70 Q C -1.711 174.314 176.000 0.042 0.000 1.012 70 Q CA -1.476 54.354 55.803 0.045 0.000 0.899 70 Q CB 0.858 29.631 28.738 0.057 0.000 1.235 70 Q HN 0.536 nan 8.270 nan 0.000 0.457 71 P HA -0.178 nan 4.420 nan 0.000 0.226 71 P C 0.466 177.766 177.300 0.001 0.000 1.146 71 P CA 1.097 64.209 63.100 0.020 0.000 0.773 71 P CB 0.583 32.291 31.700 0.015 0.000 0.772 72 E N -0.415 119.780 120.200 -0.008 0.000 2.299 72 E HA 0.000 4.363 4.350 0.021 0.000 0.193 72 E C 0.956 177.510 176.600 -0.076 0.000 0.998 72 E CA 0.515 56.895 56.400 -0.032 0.000 0.851 72 E CB -0.383 29.302 29.700 -0.025 0.000 0.795 72 E HN 0.446 nan 8.360 nan 0.000 0.492 73 Q N 1.868 121.624 119.800 -0.074 0.000 2.348 73 Q HA 0.101 4.454 4.340 0.021 0.000 0.251 73 Q C -0.219 175.575 176.000 -0.344 0.000 1.113 73 Q CA 0.235 55.912 55.803 -0.211 0.000 0.902 73 Q CB 0.514 29.231 28.738 -0.035 0.000 1.333 73 Q HN -0.146 nan 8.270 nan 0.000 0.457 74 K N 3.284 123.408 120.400 -0.461 0.000 2.211 74 K HA 0.503 4.836 4.320 0.021 0.000 0.275 74 K C -0.344 175.922 176.600 -0.558 0.000 1.024 74 K CA -0.193 55.896 56.287 -0.330 0.000 0.887 74 K CB 0.785 33.192 32.500 -0.155 0.000 1.084 74 K HN 0.292 nan 8.250 nan 0.000 0.463 75 F N 0.133 120.108 119.950 0.042 0.000 2.835 75 F HA 0.181 4.721 4.527 0.021 0.000 0.373 75 F C 0.672 176.513 175.800 0.068 0.000 1.209 75 F CA -1.011 57.021 58.000 0.053 0.000 1.082 75 F CB 0.359 39.363 39.000 0.007 0.000 1.472 75 F HN 0.364 nan 8.300 nan 0.000 0.519 76 Q N 2.555 122.551 119.800 0.327 0.000 2.394 76 Q HA -0.065 4.288 4.340 0.021 0.000 0.347 76 Q C -1.085 175.013 176.000 0.163 0.000 1.144 76 Q CA 0.565 56.499 55.803 0.218 0.000 1.050 76 Q CB 0.259 29.121 28.738 0.206 0.000 1.188 76 Q HN 0.496 nan 8.270 nan 0.000 0.406 77 K N 1.966 122.448 120.400 0.136 0.000 2.185 77 K HA 0.394 4.727 4.320 0.021 0.000 0.271 77 K C -0.510 176.146 176.600 0.095 0.000 1.013 77 K CA -0.705 55.646 56.287 0.107 0.000 0.943 77 K CB 1.382 33.938 32.500 0.093 0.000 0.998 77 K HN 0.493 nan 8.250 nan 0.000 0.468 78 V N 3.086 123.040 119.914 0.068 0.000 2.427 78 V HA 0.067 4.200 4.120 0.021 0.000 0.286 78 V C 1.154 177.233 176.094 -0.024 0.000 1.034 78 V CA -0.389 61.926 62.300 0.025 0.000 0.893 78 V CB 1.439 33.290 31.823 0.045 0.000 0.982 78 V HN 0.743 nan 8.190 nan 0.000 0.452 79 K N 3.417 123.784 120.400 -0.056 0.000 2.067 79 K HA 0.376 4.709 4.320 0.021 0.000 0.203 79 K C 0.690 177.160 176.600 -0.218 0.000 1.048 79 K CA 1.535 57.747 56.287 -0.126 0.000 0.954 79 K CB -0.083 32.371 32.500 -0.077 0.000 0.737 79 K HN 1.013 nan 8.250 nan 0.000 0.444 80 G N -2.111 106.489 108.800 -0.334 0.000 2.351 80 G HA2 0.287 4.260 3.960 0.021 0.000 0.279 80 G HA3 0.287 4.260 3.960 0.021 0.000 0.279 80 G C -1.565 172.802 174.900 -0.889 0.000 1.297 80 G CA -0.844 43.994 45.100 -0.436 0.000 0.886 80 G HN 0.022 nan 8.290 nan 0.000 0.493 81 F N -0.218 119.677 119.950 -0.092 0.000 2.601 81 F HA 0.823 5.364 4.527 0.024 0.000 0.309 81 F C 0.734 176.246 175.800 -0.480 0.000 1.089 81 F CA 0.507 58.387 58.000 -0.200 0.000 0.940 81 F CB 2.461 41.368 39.000 -0.154 0.000 1.273 81 F HN 1.323 nan 8.300 nan 0.000 0.450 82 G N 0.176 108.620 108.800 -0.593 0.000 2.356 82 G HA2 0.549 4.522 3.960 0.021 0.000 0.281 82 G HA3 0.549 4.522 3.960 0.021 0.000 0.281 82 G C -1.336 173.167 174.900 -0.662 0.000 1.246 82 G CA 0.012 44.376 45.100 -1.225 0.000 0.889 82 G HN 1.087 nan 8.290 nan 0.000 0.486 83 G N -1.548 107.108 108.800 -0.241 0.000 2.827 83 G HA2 0.827 4.800 3.960 0.021 0.000 0.296 83 G HA3 0.827 4.800 3.960 0.021 0.000 0.296 83 G C -1.003 173.959 174.900 0.104 0.000 1.362 83 G CA 0.486 45.581 45.100 -0.007 0.000 0.809 83 G HN 1.804 nan 8.290 nan 0.000 0.522 84 A N -0.377 122.515 122.820 0.120 0.000 2.304 84 A HA 0.652 4.984 4.320 0.021 0.000 0.323 84 A C -0.330 177.279 177.584 0.041 0.000 1.195 84 A CA -0.596 51.535 52.037 0.156 0.000 0.826 84 A CB 1.353 20.541 19.000 0.313 0.000 1.184 84 A HN 0.698 nan 8.150 nan 0.000 0.496 85 M N 3.891 123.546 119.600 0.092 0.000 2.852 85 M HA 0.251 4.744 4.480 0.021 0.000 0.321 85 M C 0.496 176.811 176.300 0.025 0.000 1.337 85 M CA -0.184 55.151 55.300 0.057 0.000 1.406 85 M CB -0.522 32.137 32.600 0.098 0.000 1.152 85 M HN 0.751 nan 8.290 nan 0.000 0.508 86 T N -0.800 113.699 114.554 -0.091 0.000 2.816 86 T HA 0.310 4.673 4.350 0.021 0.000 0.282 86 T C 0.829 175.510 174.700 -0.032 0.000 0.993 86 T CA -0.724 61.305 62.100 -0.118 0.000 0.994 86 T CB 0.735 69.407 68.868 -0.326 0.000 1.025 86 T HN 0.485 nan 8.240 nan 0.000 0.529 87 D N 1.022 121.426 120.400 0.008 0.000 2.133 87 D HA -0.145 4.508 4.640 0.021 0.000 0.192 87 D C 2.347 178.668 176.300 0.034 0.000 1.001 87 D CA 1.968 55.997 54.000 0.049 0.000 0.844 87 D CB -0.854 39.999 40.800 0.088 0.000 0.944 87 D HN 0.750 nan 8.370 nan 0.000 0.447 88 A N 0.803 123.645 122.820 0.038 0.000 1.902 88 A HA -0.068 4.265 4.320 0.021 0.000 0.217 88 A C 2.312 179.896 177.584 -0.001 0.000 1.181 88 A CA 2.481 54.552 52.037 0.057 0.000 0.623 88 A CB -0.761 18.342 19.000 0.172 0.000 0.818 88 A HN 0.259 nan 8.150 nan 0.000 0.443 89 A N -0.170 122.614 122.820 -0.060 0.000 1.873 89 A HA 0.186 4.519 4.320 0.021 0.000 0.215 89 A C 2.536 180.109 177.584 -0.019 0.000 1.186 89 A CA 2.100 54.103 52.037 -0.056 0.000 0.616 89 A CB -1.117 17.834 19.000 -0.082 0.000 0.823 89 A HN 1.093 nan 8.150 nan 0.000 0.442 90 A N -0.569 122.247 122.820 -0.006 0.000 1.940 90 A HA -0.059 4.273 4.320 0.021 0.000 0.219 90 A C 2.164 179.749 177.584 0.001 0.000 1.176 90 A CA 1.792 53.831 52.037 0.004 0.000 0.631 90 A CB -0.597 18.412 19.000 0.016 0.000 0.814 90 A HN 0.754 nan 8.150 nan 0.000 0.446 91 L N 0.057 121.285 121.223 0.008 0.000 2.109 91 L HA -0.093 4.259 4.340 0.021 0.000 0.207 91 L C 1.847 178.720 176.870 0.005 0.000 1.086 91 L CA 2.003 56.849 54.840 0.011 0.000 0.760 91 L CB -0.563 41.511 42.059 0.025 0.000 0.910 91 L HN 0.311 nan 8.230 nan 0.000 0.437 92 N N -0.030 118.671 118.700 0.002 0.000 2.142 92 N HA -0.119 4.633 4.740 0.021 0.000 0.186 92 N C 1.958 177.452 175.510 -0.027 0.000 1.023 92 N CA 1.890 54.936 53.050 -0.007 0.000 0.852 92 N CB -0.209 38.273 38.487 -0.008 0.000 0.998 92 N HN 0.411 nan 8.380 nan 0.000 0.424 93 I N 1.148 121.696 120.570 -0.037 0.000 2.179 93 I HA -0.219 3.964 4.170 0.021 0.000 0.242 93 I C 1.905 177.997 176.117 -0.042 0.000 1.088 93 I CA 0.984 62.248 61.300 -0.061 0.000 1.357 93 I CB -0.137 37.832 38.000 -0.052 0.000 1.051 93 I HN 0.029 nan 8.210 nan 0.000 0.409 94 L N 0.201 121.411 121.223 -0.022 0.000 2.552 94 L HA -0.008 4.345 4.340 0.021 0.000 0.227 94 L C 2.409 179.274 176.870 -0.009 0.000 1.146 94 L CA 0.338 55.169 54.840 -0.014 0.000 0.858 94 L CB -0.375 41.678 42.059 -0.010 0.000 0.969 94 L HN 0.203 nan 8.230 nan 0.000 0.451 95 A N -0.441 122.374 122.820 -0.007 0.000 2.169 95 A HA 0.131 4.463 4.320 0.021 0.000 0.212 95 A C 1.172 178.757 177.584 0.002 0.000 1.153 95 A CA 0.193 52.229 52.037 -0.001 0.000 0.756 95 A CB -0.122 18.880 19.000 0.003 0.000 0.813 95 A HN 0.235 nan 8.150 nan 0.000 0.471 96 L N 0.398 121.620 121.223 -0.002 0.000 2.479 96 L HA 0.214 4.567 4.340 0.021 0.000 0.248 96 L C 1.255 178.133 176.870 0.014 0.000 1.205 96 L CA -0.312 54.535 54.840 0.012 0.000 0.817 96 L CB 0.764 42.831 42.059 0.013 0.000 1.162 96 L HN 0.395 nan 8.230 nan 0.000 0.486 97 S N -0.188 115.527 115.700 0.025 0.000 2.614 97 S HA 0.214 4.697 4.470 0.021 0.000 0.265 97 S C -2.008 172.605 174.600 0.022 0.000 1.303 97 S CA -1.043 57.170 58.200 0.022 0.000 1.000 97 S CB 0.977 64.192 63.200 0.025 0.000 0.935 97 S HN 0.364 nan 8.310 nan 0.000 0.551 98 P HA 0.048 nan 4.420 nan 0.000 0.217 98 P C -1.597 175.716 177.300 0.021 0.000 1.150 98 P CA 1.099 64.207 63.100 0.014 0.000 0.832 98 P CB -1.046 30.660 31.700 0.009 0.000 0.787 99 P HA -0.080 nan 4.420 nan 0.000 0.217 99 P C 1.451 178.788 177.300 0.062 0.000 1.151 99 P CA 1.579 64.701 63.100 0.037 0.000 0.828 99 P CB -0.577 31.143 31.700 0.034 0.000 0.788 100 A N -0.102 122.766 122.820 0.081 0.000 1.902 100 A HA -0.284 4.049 4.320 0.021 0.000 0.217 100 A C 2.236 179.881 177.584 0.101 0.000 1.181 100 A CA 1.705 53.839 52.037 0.160 0.000 0.623 100 A CB -1.403 17.702 19.000 0.175 0.000 0.818 100 A HN 0.180 nan 8.150 nan 0.000 0.443 101 Q N -0.786 119.025 119.800 0.019 0.000 2.077 101 Q HA -0.264 4.088 4.340 0.021 0.000 0.206 101 Q C 2.122 178.106 176.000 -0.027 0.000 0.989 101 Q CA 1.795 57.574 55.803 -0.039 0.000 0.853 101 Q CB -0.322 28.403 28.738 -0.021 0.000 0.907 101 Q HN 0.726 nan 8.270 nan 0.000 0.418 102 N N 0.168 118.876 118.700 0.013 0.000 2.205 102 N HA -0.124 4.629 4.740 0.021 0.000 0.186 102 N C 1.428 176.961 175.510 0.037 0.000 1.015 102 N CA 0.986 54.051 53.050 0.025 0.000 0.862 102 N CB -0.005 38.499 38.487 0.028 0.000 0.986 102 N HN 0.173 nan 8.380 nan 0.000 0.429 103 L N -0.519 120.742 121.223 0.064 0.000 2.162 103 L HA 0.014 4.367 4.340 0.021 0.000 0.205 103 L C 2.208 179.138 176.870 0.099 0.000 1.086 103 L CA 0.315 55.225 54.840 0.117 0.000 0.778 103 L CB -0.342 41.840 42.059 0.206 0.000 0.928 103 L HN 0.226 nan 8.230 nan 0.000 0.446 104 L N -0.062 121.071 121.223 -0.151 0.000 1.989 104 L HA -0.247 4.106 4.340 0.021 0.000 0.211 104 L C 2.474 179.227 176.870 -0.194 0.000 1.071 104 L CA 1.543 56.009 54.840 -0.623 0.000 0.749 104 L CB -0.117 41.297 42.059 -1.076 0.000 0.890 104 L HN 0.174 nan 8.230 nan 0.000 0.431 105 L N -0.599 120.613 121.223 -0.019 0.000 2.083 105 L HA -0.238 4.115 4.340 0.021 0.000 0.209 105 L C 2.604 179.625 176.870 0.252 0.000 1.083 105 L CA 1.292 56.258 54.840 0.210 0.000 0.752 105 L CB -0.502 41.645 42.059 0.147 0.000 0.899 105 L HN 0.256 nan 8.230 nan 0.000 0.433 106 K N -0.431 120.041 120.400 0.119 0.000 2.097 106 K HA -0.134 4.199 4.320 0.021 0.000 0.206 106 K C 2.341 178.985 176.600 0.074 0.000 1.049 106 K CA 1.416 57.767 56.287 0.108 0.000 0.933 106 K CB -0.063 32.477 32.500 0.068 0.000 0.717 106 K HN 0.127 nan 8.250 nan 0.000 0.442 107 S N -0.032 115.670 115.700 0.003 0.000 2.370 107 S HA -0.147 4.336 4.470 0.021 0.000 0.226 107 S C 1.735 176.299 174.600 -0.060 0.000 1.033 107 S CA 1.254 59.434 58.200 -0.034 0.000 1.011 107 S CB -0.238 62.817 63.200 -0.240 0.000 0.852 107 S HN 0.341 nan 8.310 nan 0.000 0.457 108 Y N -0.994 119.181 120.300 -0.207 0.000 2.269 108 Y HA 0.040 4.602 4.550 0.021 0.000 0.294 108 Y C 1.633 177.009 175.900 -0.873 0.000 1.120 108 Y CA 0.766 58.374 58.100 -0.819 0.000 1.159 108 Y CB 0.065 37.786 38.460 -1.232 0.000 1.024 108 Y HN 0.233 nan 8.280 nan 0.000 0.532 109 F N -2.058 117.943 119.950 0.086 0.000 2.712 109 F HA 0.136 4.676 4.527 0.023 0.000 0.297 109 F C 1.393 177.218 175.800 0.042 0.000 1.114 109 F CA -0.207 57.839 58.000 0.075 0.000 1.305 109 F CB -0.030 39.022 39.000 0.086 0.000 1.086 109 F HN -0.286 nan 8.300 nan 0.000 0.599 110 S N 0.830 116.631 115.700 0.168 0.000 2.624 110 S HA 0.040 4.523 4.470 0.021 0.000 0.263 110 S C 1.368 175.996 174.600 0.047 0.000 1.287 110 S CA -0.224 58.041 58.200 0.109 0.000 0.990 110 S CB 0.883 64.141 63.200 0.097 0.000 0.950 110 S HN 0.483 nan 8.310 nan 0.000 0.561 111 E N 0.871 121.088 120.200 0.029 0.000 2.274 111 E HA -0.103 4.260 4.350 0.021 0.000 0.194 111 E C 1.259 177.872 176.600 0.022 0.000 0.996 111 E CA 1.052 57.440 56.400 -0.020 0.000 0.840 111 E CB -0.292 29.395 29.700 -0.023 0.000 0.772 111 E HN 0.821 nan 8.360 nan 0.000 0.491 112 E N 1.321 121.571 120.200 0.084 0.000 2.347 112 E HA 0.006 4.369 4.350 0.021 0.000 0.196 112 E C 1.204 177.971 176.600 0.278 0.000 1.008 112 E CA 0.577 57.077 56.400 0.166 0.000 0.852 112 E CB 0.138 29.897 29.700 0.099 0.000 0.783 112 E HN 0.390 nan 8.360 nan 0.000 0.505 113 G N 1.376 110.283 108.800 0.179 0.000 2.945 113 G HA2 0.329 4.302 3.960 0.021 0.000 0.156 113 G HA3 0.329 4.302 3.960 0.021 0.000 0.156 113 G C 0.687 175.626 174.900 0.066 0.000 1.375 113 G CA -0.423 44.793 45.100 0.194 0.000 1.039 113 G HN 0.208 nan 8.290 nan 0.000 0.586 114 I N -2.563 117.939 120.570 -0.113 0.000 3.941 114 I HA 0.505 4.688 4.170 0.021 0.000 0.335 114 I C 1.159 177.104 176.117 -0.287 0.000 1.402 114 I CA 0.219 61.319 61.300 -0.334 0.000 1.112 114 I CB 0.399 38.084 38.000 -0.524 0.000 1.043 114 I HN 0.743 nan 8.210 nan 0.000 0.395 115 G N 1.224 109.920 108.800 -0.173 0.000 2.295 115 G HA2 -0.322 3.651 3.960 0.021 0.000 0.287 115 G HA3 -0.322 3.651 3.960 0.021 0.000 0.287 115 G C 0.012 174.973 174.900 0.101 0.000 1.055 115 G CA -0.082 44.982 45.100 -0.060 0.000 0.922 115 G HN 0.647 nan 8.290 nan 0.000 0.503 116 Y N 0.223 120.443 120.300 -0.134 0.000 2.702 116 Y HA 0.056 4.619 4.550 0.021 0.000 0.336 116 Y C 1.650 177.618 175.900 0.114 0.000 1.235 116 Y CA 0.450 58.506 58.100 -0.072 0.000 1.492 116 Y CB 0.548 38.789 38.460 -0.365 0.000 1.308 116 Y HN 0.485 nan 8.280 nan 0.000 0.589 117 N N 2.968 121.796 118.700 0.213 0.000 2.240 117 N HA 0.194 4.947 4.740 0.021 0.000 0.240 117 N C -0.996 174.559 175.510 0.076 0.000 1.277 117 N CA 0.142 53.281 53.050 0.149 0.000 0.873 117 N CB 0.307 38.831 38.487 0.062 0.000 1.222 117 N HN 0.473 nan 8.380 nan 0.000 0.507 118 I N 1.076 121.705 120.570 0.099 0.000 2.619 118 I HA 0.476 4.659 4.170 0.021 0.000 0.292 118 I C -0.930 175.288 176.117 0.168 0.000 1.100 118 I CA -0.790 60.562 61.300 0.087 0.000 1.043 118 I CB 2.477 40.511 38.000 0.058 0.000 1.239 118 I HN -0.150 nan 8.210 nan 0.000 0.420 119 I N 5.250 125.929 120.570 0.182 0.000 2.499 119 I HA 0.421 4.604 4.170 0.021 0.000 0.288 119 I C -0.319 175.933 176.117 0.226 0.000 1.048 119 I CA -0.601 60.820 61.300 0.201 0.000 1.062 119 I CB 2.206 40.298 38.000 0.153 0.000 1.238 119 I HN 0.530 nan 8.210 nan 0.000 0.426 120 R N 5.586 126.235 120.500 0.249 0.000 2.349 120 R HA 0.686 5.039 4.340 0.021 0.000 0.299 120 R C -1.573 174.916 176.300 0.314 0.000 1.027 120 R CA -0.370 55.910 56.100 0.301 0.000 0.958 120 R CB 1.413 31.899 30.300 0.310 0.000 1.047 120 R HN 0.444 nan 8.270 nan 0.000 0.468 121 V N 6.977 127.107 119.914 0.360 0.000 2.407 121 V HA 0.356 4.489 4.120 0.021 0.000 0.291 121 V C -2.236 174.040 176.094 0.303 0.000 1.018 121 V CA -2.238 60.272 62.300 0.349 0.000 0.842 121 V CB 1.592 33.697 31.823 0.468 0.000 0.996 121 V HN 0.849 nan 8.190 nan 0.000 0.426 122 P HA 0.221 nan 4.420 nan 0.000 0.268 122 P C -0.307 177.103 177.300 0.184 0.000 1.204 122 P CA -0.001 63.260 63.100 0.268 0.000 0.768 122 P CB 0.394 32.093 31.700 -0.001 0.000 0.842 123 M N 3.275 122.923 119.600 0.079 0.000 2.156 123 M HA 0.376 4.869 4.480 0.021 0.000 0.345 123 M C 1.000 177.334 176.300 0.056 0.000 1.398 123 M CA 0.272 55.579 55.300 0.012 0.000 1.148 123 M CB -0.254 32.090 32.600 -0.426 0.000 1.663 123 M HN 0.604 nan 8.290 nan 0.000 0.464 124 A N 2.382 125.164 122.820 -0.064 0.000 5.585 124 A HA -0.204 4.129 4.320 0.021 0.000 0.295 124 A C 0.291 177.657 177.584 -0.364 0.000 1.985 124 A CA 0.970 52.769 52.037 -0.397 0.000 0.716 124 A CB -1.825 16.704 19.000 -0.784 0.000 1.237 124 A HN 0.955 nan 8.150 nan 0.000 0.371 125 S N -0.223 115.017 115.700 -0.767 0.000 2.565 125 S HA 0.711 5.193 4.470 0.021 0.000 0.290 125 S C 0.234 174.565 174.600 -0.448 0.000 1.150 125 S CA 0.108 57.855 58.200 -0.755 0.000 1.058 125 S CB 1.077 63.550 63.200 -1.210 0.000 1.032 125 S HN 2.442 nan 8.310 nan 0.000 0.510 126 C N 0.539 119.578 119.300 -0.435 0.000 3.312 126 C HA 0.669 5.142 4.460 0.021 0.000 0.368 126 C C 1.311 176.224 174.990 -0.129 0.000 2.465 126 C CA 0.002 58.691 59.018 -0.548 0.000 1.359 126 C CB 0.479 27.219 27.740 -1.667 0.000 2.896 126 C HN 0.870 nan 8.230 nan 0.000 0.470 127 D N 0.447 120.724 120.400 -0.206 0.000 2.269 127 D HA -0.076 4.577 4.640 0.021 0.000 0.208 127 D C 0.560 176.615 176.300 -0.409 0.000 0.963 127 D CA 0.921 54.679 54.000 -0.403 0.000 0.864 127 D CB -0.462 39.513 40.800 -1.375 0.000 0.936 127 D HN 0.568 nan 8.370 nan 0.000 0.505 128 F N 1.331 121.186 119.950 -0.157 0.000 2.871 128 F HA 0.321 4.861 4.527 0.022 0.000 0.317 128 F C 0.312 176.060 175.800 -0.087 0.000 1.193 128 F CA -0.150 57.768 58.000 -0.136 0.000 1.311 128 F CB 0.100 38.935 39.000 -0.275 0.000 1.380 128 F HN -0.251 nan 8.300 nan 0.000 0.557 129 S N 0.182 115.930 115.700 0.080 0.000 2.627 129 S HA 0.446 4.929 4.470 0.021 0.000 0.283 129 S C 0.833 175.513 174.600 0.133 0.000 1.127 129 S CA -0.732 57.521 58.200 0.088 0.000 0.863 129 S CB 1.765 64.969 63.200 0.006 0.000 1.121 129 S HN 0.392 nan 8.310 nan 0.000 0.479 130 I N -0.726 119.903 120.570 0.098 0.000 3.793 130 I HA 0.378 4.561 4.170 0.021 0.000 0.315 130 I C 0.551 176.679 176.117 0.018 0.000 1.275 130 I CA -0.004 61.354 61.300 0.096 0.000 1.214 130 I CB -0.143 37.903 38.000 0.077 0.000 1.018 130 I HN 0.495 nan 8.210 nan 0.000 0.439 131 R N 0.798 121.251 120.500 -0.079 0.000 2.692 131 R HA 0.457 4.810 4.340 0.021 0.000 0.269 131 R C -1.030 175.052 176.300 -0.363 0.000 1.030 131 R CA -0.357 55.617 56.100 -0.210 0.000 0.882 131 R CB 0.836 31.111 30.300 -0.042 0.000 1.250 131 R HN 0.098 nan 8.270 nan 0.000 0.465 132 T N -0.325 113.923 114.554 -0.511 0.000 2.837 132 T HA 0.666 5.029 4.350 0.021 0.000 0.285 132 T C -0.543 174.037 174.700 -0.201 0.000 0.984 132 T CA -0.427 61.361 62.100 -0.520 0.000 1.049 132 T CB 0.632 69.138 68.868 -0.604 0.000 0.947 132 T HN 0.652 nan 8.240 nan 0.000 0.472 133 Y N -1.049 119.128 120.300 -0.205 0.000 2.662 133 Y HA 0.672 5.235 4.550 0.021 0.000 0.334 133 Y C -0.502 175.306 175.900 -0.154 0.000 1.185 133 Y CA -1.067 56.946 58.100 -0.145 0.000 1.074 133 Y CB 0.574 38.956 38.460 -0.130 0.000 1.330 133 Y HN 0.974 nan 8.280 nan 0.000 0.458 134 T N -2.728 111.850 114.554 0.041 0.000 2.773 134 T HA 0.422 4.785 4.350 0.021 0.000 0.278 134 T C -0.414 174.328 174.700 0.070 0.000 1.011 134 T CA -0.709 61.378 62.100 -0.023 0.000 1.014 134 T CB 1.085 70.005 68.868 0.086 0.000 1.293 134 T HN 0.764 nan 8.240 nan 0.000 0.554 135 Y N 0.026 120.438 120.300 0.186 0.000 2.490 135 Y HA 0.492 5.055 4.550 0.021 0.000 0.281 135 Y C 1.460 177.227 175.900 -0.222 0.000 1.174 135 Y CA -0.202 57.738 58.100 -0.267 0.000 1.295 135 Y CB 0.368 38.266 38.460 -0.936 0.000 1.062 135 Y HN 0.807 nan 8.280 nan 0.000 0.522 136 A N -0.442 122.567 122.820 0.315 0.000 3.464 136 A HA 0.214 4.547 4.320 0.021 0.000 0.243 136 A C -0.200 177.696 177.584 0.519 0.000 1.100 136 A CA -0.433 51.882 52.037 0.462 0.000 0.957 136 A CB -0.250 19.205 19.000 0.758 0.000 1.340 136 A HN 0.142 nan 8.150 nan 0.000 0.645 137 D N 0.480 121.082 120.400 0.336 0.000 2.347 137 D HA 0.009 4.662 4.640 0.021 0.000 0.213 137 D C 0.424 176.882 176.300 0.264 0.000 0.985 137 D CA 0.950 55.138 54.000 0.313 0.000 0.879 137 D CB 0.345 41.253 40.800 0.179 0.000 0.919 137 D HN 0.435 nan 8.370 nan 0.000 0.526 138 T N 3.570 118.224 114.554 0.167 0.000 2.829 138 T HA 0.099 4.462 4.350 0.021 0.000 0.293 138 T C -2.380 172.129 174.700 -0.320 0.000 0.970 138 T CA -0.938 61.151 62.100 -0.018 0.000 1.168 138 T CB 1.093 69.950 68.868 -0.018 0.000 0.911 138 T HN -0.035 nan 8.240 nan 0.000 0.535 139 P HA 0.089 nan 4.420 nan 0.000 0.265 139 P C 0.273 176.966 177.300 -1.011 0.000 1.193 139 P CA 0.193 62.883 63.100 -0.684 0.000 0.765 139 P CB 0.278 31.840 31.700 -0.229 0.000 0.823 140 D N -0.269 119.159 120.400 -1.620 0.000 2.983 140 D HA -0.200 4.453 4.640 0.021 0.000 0.225 140 D C 0.025 175.544 176.300 -1.301 0.000 1.174 140 D CA 1.064 54.296 54.000 -1.281 0.000 0.831 140 D CB -1.594 39.004 40.800 -0.336 0.000 1.104 140 D HN 0.467 nan 8.370 nan 0.000 0.421 141 D N -0.477 118.914 120.400 -1.682 0.000 2.688 141 D HA 0.090 4.743 4.640 0.021 0.000 0.228 141 D C 1.102 177.259 176.300 -0.238 0.000 1.116 141 D CA -0.297 53.329 54.000 -0.624 0.000 1.023 141 D CB -0.841 39.801 40.800 -0.262 0.000 1.100 141 D HN 0.128 nan 8.370 nan 0.000 0.487 142 F N 0.268 120.232 119.950 0.023 0.000 2.236 142 F HA -0.160 4.379 4.527 0.021 0.000 0.302 142 F C 2.377 178.341 175.800 0.273 0.000 1.073 142 F CA 0.883 59.060 58.000 0.296 0.000 1.336 142 F CB 0.035 39.139 39.000 0.174 0.000 1.040 142 F HN 0.303 nan 8.300 nan 0.000 0.507 143 Q N -0.126 119.879 119.800 0.343 0.000 2.425 143 Q HA 0.117 4.470 4.340 0.021 0.000 0.204 143 Q C 1.078 177.249 176.000 0.285 0.000 0.933 143 Q CA 0.236 56.206 55.803 0.278 0.000 0.939 143 Q CB 0.247 29.113 28.738 0.214 0.000 1.044 143 Q HN 0.511 nan 8.270 nan 0.000 0.513 144 L N 0.393 121.822 121.223 0.343 0.000 3.843 144 L HA -0.313 4.040 4.340 0.021 0.000 0.411 144 L C 1.168 178.223 176.870 0.308 0.000 1.205 144 L CA 0.363 55.430 54.840 0.378 0.000 0.945 144 L CB -1.904 40.376 42.059 0.369 0.000 1.929 144 L HN 0.329 nan 8.230 nan 0.000 0.934 145 H N 0.915 120.093 119.070 0.180 0.000 2.387 145 H HA -0.071 4.498 4.556 0.021 0.000 0.299 145 H C 1.437 176.855 175.328 0.149 0.000 1.090 145 H CA 2.458 58.587 56.048 0.135 0.000 1.332 145 H CB 0.179 29.995 29.762 0.090 0.000 1.386 145 H HN 0.543 nan 8.280 nan 0.000 0.516 146 N N -0.177 118.646 118.700 0.205 0.000 2.376 146 N HA 0.078 4.830 4.740 0.021 0.000 0.249 146 N C -1.067 174.565 175.510 0.203 0.000 1.140 146 N CA -0.288 52.850 53.050 0.147 0.000 0.870 146 N CB 0.010 38.585 38.487 0.146 0.000 1.124 146 N HN 0.210 nan 8.380 nan 0.000 0.505 147 F N 2.186 122.194 119.950 0.096 0.000 2.495 147 F HA 0.330 4.870 4.527 0.021 0.000 0.365 147 F C 0.557 176.383 175.800 0.044 0.000 1.090 147 F CA -0.104 57.958 58.000 0.103 0.000 1.235 147 F CB 0.441 39.474 39.000 0.056 0.000 1.119 147 F HN 0.046 nan 8.300 nan 0.000 0.562 148 S N 5.827 121.305 115.700 -0.369 0.000 2.565 148 S HA 0.489 4.972 4.470 0.021 0.000 0.274 148 S C -1.520 172.936 174.600 -0.241 0.000 1.144 148 S CA -1.262 56.820 58.200 -0.196 0.000 0.849 148 S CB 0.667 63.854 63.200 -0.022 0.000 1.103 148 S HN 0.730 nan 8.310 nan 0.000 0.455 149 L N 2.684 123.815 121.223 -0.155 0.000 2.331 149 L HA 0.495 4.847 4.340 0.021 0.000 0.278 149 L C -1.575 175.294 176.870 -0.002 0.000 1.106 149 L CA -1.555 53.257 54.840 -0.046 0.000 0.824 149 L CB 0.238 42.241 42.059 -0.094 0.000 1.142 149 L HN 0.614 nan 8.230 nan 0.000 0.443 150 P HA 0.153 nan 4.420 nan 0.000 0.312 150 P C 0.199 177.437 177.300 -0.104 0.000 1.308 150 P CA -0.425 62.611 63.100 -0.105 0.000 0.743 150 P CB 0.953 32.484 31.700 -0.282 0.000 1.364 151 E N -0.462 119.659 120.200 -0.131 0.000 2.153 151 E HA -0.194 4.168 4.350 0.021 0.000 0.194 151 E C 1.719 178.266 176.600 -0.089 0.000 0.988 151 E CA 1.187 57.529 56.400 -0.098 0.000 0.811 151 E CB -0.169 29.478 29.700 -0.088 0.000 0.746 151 E HN 0.439 nan 8.360 nan 0.000 0.466 152 E N 0.808 120.933 120.200 -0.126 0.000 2.187 152 E HA -0.215 4.148 4.350 0.021 0.000 0.199 152 E C 1.273 177.889 176.600 0.028 0.000 1.004 152 E CA 1.727 58.097 56.400 -0.050 0.000 0.813 152 E CB -0.053 29.611 29.700 -0.061 0.000 0.736 152 E HN 0.318 nan 8.360 nan 0.000 0.468 153 D N -1.579 118.842 120.400 0.036 0.000 2.202 153 D HA -0.060 4.593 4.640 0.021 0.000 0.214 153 D C 1.952 178.169 176.300 -0.139 0.000 0.967 153 D CA 1.749 55.772 54.000 0.038 0.000 0.871 153 D CB -0.159 40.715 40.800 0.124 0.000 1.020 153 D HN 0.257 nan 8.370 nan 0.000 0.474 154 T N -1.692 112.766 114.554 -0.159 0.000 3.023 154 T HA 0.037 4.399 4.350 0.021 0.000 0.266 154 T C 1.512 176.147 174.700 -0.108 0.000 1.093 154 T CA 0.656 62.637 62.100 -0.199 0.000 1.129 154 T CB 0.145 68.942 68.868 -0.117 0.000 0.899 154 T HN -0.116 nan 8.240 nan 0.000 0.491 155 K N -0.134 120.224 120.400 -0.070 0.000 2.412 155 K HA 0.452 4.785 4.320 0.021 0.000 0.202 155 K C 1.392 177.972 176.600 -0.033 0.000 1.102 155 K CA 0.086 56.348 56.287 -0.042 0.000 1.027 155 K CB 0.647 33.127 32.500 -0.033 0.000 0.931 155 K HN 0.375 nan 8.250 nan 0.000 0.557 156 L N -0.202 121.001 121.223 -0.033 0.000 2.777 156 L HA 0.165 4.518 4.340 0.021 0.000 0.172 156 L C 1.941 178.806 176.870 -0.010 0.000 1.179 156 L CA 0.197 55.028 54.840 -0.014 0.000 0.859 156 L CB -0.207 41.851 42.059 -0.000 0.000 1.269 156 L HN -0.178 nan 8.230 nan 0.000 0.511 157 K N 0.672 121.078 120.400 0.011 0.000 2.025 157 K HA -0.015 4.318 4.320 0.021 0.000 0.207 157 K C 2.012 178.598 176.600 -0.023 0.000 1.049 157 K CA 1.419 57.728 56.287 0.038 0.000 0.933 157 K CB -0.072 32.511 32.500 0.139 0.000 0.714 157 K HN 0.175 nan 8.250 nan 0.000 0.438 158 I N 0.800 121.306 120.570 -0.107 0.000 2.233 158 I HA -0.144 4.038 4.170 0.021 0.000 0.243 158 I C -1.014 175.009 176.117 -0.158 0.000 1.093 158 I CA 0.737 61.891 61.300 -0.245 0.000 1.380 158 I CB -1.066 36.645 38.000 -0.483 0.000 1.067 158 I HN 0.035 nan 8.210 nan 0.000 0.413 159 P HA -0.182 nan 4.420 nan 0.000 0.215 159 P C 1.999 179.301 177.300 0.004 0.000 1.157 159 P CA 1.580 64.704 63.100 0.040 0.000 0.874 159 P CB -0.016 31.690 31.700 0.010 0.000 0.790 160 L N -1.508 119.694 121.223 -0.034 0.000 2.046 160 L HA -0.163 4.190 4.340 0.021 0.000 0.208 160 L C 2.455 179.259 176.870 -0.110 0.000 1.077 160 L CA 1.346 56.156 54.840 -0.049 0.000 0.747 160 L CB -0.746 41.295 42.059 -0.030 0.000 0.896 160 L HN -0.065 nan 8.230 nan 0.000 0.432 161 I N -1.203 119.281 120.570 -0.143 0.000 2.226 161 I HA -0.313 3.870 4.170 0.021 0.000 0.245 161 I C 2.607 178.585 176.117 -0.232 0.000 1.100 161 I CA 1.044 62.212 61.300 -0.221 0.000 1.374 161 I CB -0.541 37.335 38.000 -0.206 0.000 1.057 161 I HN 0.312 nan 8.210 nan 0.000 0.413 162 H N 0.985 119.990 119.070 -0.109 0.000 2.387 162 H HA -0.084 4.485 4.556 0.021 0.000 0.299 162 H C 2.447 177.712 175.328 -0.106 0.000 1.090 162 H CA 1.352 57.343 56.048 -0.095 0.000 1.332 162 H CB -0.183 29.539 29.762 -0.066 0.000 1.386 162 H HN 0.301 nan 8.280 nan 0.000 0.516 163 R N 0.245 120.752 120.500 0.012 0.000 2.115 163 R HA -0.022 4.331 4.340 0.021 0.000 0.230 163 R C 2.500 178.740 176.300 -0.100 0.000 1.111 163 R CA 0.954 57.037 56.100 -0.028 0.000 0.976 163 R CB -0.040 30.248 30.300 -0.019 0.000 0.870 163 R HN 0.217 nan 8.270 nan 0.000 0.445 164 A N 0.931 123.604 122.820 -0.246 0.000 1.897 164 A HA -0.051 4.282 4.320 0.021 0.000 0.215 164 A C 2.086 179.471 177.584 -0.332 0.000 1.181 164 A CA 0.856 52.582 52.037 -0.517 0.000 0.620 164 A CB -0.365 17.858 19.000 -1.295 0.000 0.821 164 A HN 0.136 nan 8.150 nan 0.000 0.443 165 L N -0.814 120.276 121.223 -0.222 0.000 2.046 165 L HA -0.228 4.125 4.340 0.021 0.000 0.208 165 L C 2.870 179.720 176.870 -0.033 0.000 1.077 165 L CA 1.896 56.676 54.840 -0.100 0.000 0.747 165 L CB -0.767 41.255 42.059 -0.062 0.000 0.896 165 L HN 0.591 nan 8.230 nan 0.000 0.432 166 Q N 0.395 120.182 119.800 -0.022 0.000 2.124 166 Q HA -0.197 4.156 4.340 0.021 0.000 0.202 166 Q C 2.336 178.342 176.000 0.011 0.000 0.977 166 Q CA 1.367 57.170 55.803 -0.000 0.000 0.850 166 Q CB 0.059 28.798 28.738 0.001 0.000 0.901 166 Q HN 0.514 nan 8.270 nan 0.000 0.429 167 L N 0.096 121.328 121.223 0.014 0.000 2.240 167 L HA 0.106 4.459 4.340 0.021 0.000 0.211 167 L C 0.988 177.907 176.870 0.082 0.000 1.106 167 L CA -0.010 54.861 54.840 0.053 0.000 0.793 167 L CB -0.145 41.963 42.059 0.082 0.000 0.927 167 L HN 0.127 nan 8.230 nan 0.000 0.446 168 A N -0.665 122.206 122.820 0.086 0.000 2.351 168 A HA 0.097 4.430 4.320 0.021 0.000 0.257 168 A C 0.878 178.505 177.584 0.072 0.000 1.087 168 A CA -0.145 51.965 52.037 0.122 0.000 0.798 168 A CB 0.851 19.941 19.000 0.151 0.000 1.033 168 A HN 0.257 nan 8.150 nan 0.000 0.488 169 Q N -0.164 119.675 119.800 0.064 0.000 2.349 169 Q HA 0.047 4.400 4.340 0.021 0.000 0.209 169 Q C 0.258 176.278 176.000 0.033 0.000 0.920 169 Q CA 0.370 56.197 55.803 0.039 0.000 0.901 169 Q CB 0.172 28.926 28.738 0.026 0.000 1.021 169 Q HN 0.782 nan 8.270 nan 0.000 0.519 170 R N 1.507 122.031 120.500 0.039 0.000 2.594 170 R HA 0.184 4.536 4.340 0.021 0.000 0.272 170 R C -2.391 173.926 176.300 0.028 0.000 1.074 170 R CA -1.595 54.521 56.100 0.028 0.000 1.105 170 R CB -0.151 30.165 30.300 0.027 0.000 1.008 170 R HN 0.011 nan 8.270 nan 0.000 0.472 171 P HA -0.039 nan 4.420 nan 0.000 0.264 171 P C -0.756 176.542 177.300 -0.003 0.000 1.193 171 P CA 0.087 63.187 63.100 -0.000 0.000 0.763 171 P CB 0.508 32.200 31.700 -0.013 0.000 0.810 172 V N 3.388 123.304 119.914 0.002 0.000 2.567 172 V HA 0.259 4.392 4.120 0.021 0.000 0.289 172 V C 0.483 176.560 176.094 -0.028 0.000 1.049 172 V CA -0.133 62.173 62.300 0.010 0.000 0.969 172 V CB 1.456 33.296 31.823 0.027 0.000 0.995 172 V HN 0.480 nan 8.190 nan 0.000 0.471 173 S N 5.086 120.759 115.700 -0.045 0.000 2.475 173 S HA 0.701 5.184 4.470 0.021 0.000 0.298 173 S C -0.478 174.173 174.600 0.084 0.000 1.119 173 S CA -0.551 57.638 58.200 -0.018 0.000 1.085 173 S CB 1.038 64.102 63.200 -0.227 0.000 1.028 173 S HN 0.485 nan 8.310 nan 0.000 0.489 174 L N 3.101 124.376 121.223 0.088 0.000 2.322 174 L HA 0.637 4.990 4.340 0.021 0.000 0.279 174 L C -0.840 176.277 176.870 0.411 0.000 1.036 174 L CA -0.958 53.915 54.840 0.056 0.000 0.807 174 L CB 1.127 42.858 42.059 -0.546 0.000 1.226 174 L HN 0.402 nan 8.230 nan 0.000 0.433 175 L N 2.947 124.460 121.223 0.484 0.000 2.381 175 L HA 0.835 5.187 4.340 0.021 0.000 0.274 175 L C -0.470 176.625 176.870 0.375 0.000 0.988 175 L CA -0.242 54.839 54.840 0.401 0.000 0.824 175 L CB 1.521 43.768 42.059 0.314 0.000 1.263 175 L HN 0.672 nan 8.230 nan 0.000 0.410 176 A N 3.150 126.050 122.820 0.134 0.000 2.320 176 A HA 0.934 5.267 4.320 0.021 0.000 0.334 176 A C -0.730 176.795 177.584 -0.098 0.000 1.147 176 A CA -0.447 51.527 52.037 -0.105 0.000 0.820 176 A CB 1.123 19.718 19.000 -0.675 0.000 1.218 176 A HN 0.732 nan 8.150 nan 0.000 0.482 177 S N 2.423 118.104 115.700 -0.032 0.000 2.614 177 S HA 0.624 5.107 4.470 0.021 0.000 0.275 177 S C -3.116 171.561 174.600 0.127 0.000 1.161 177 S CA -0.801 57.407 58.200 0.014 0.000 0.969 177 S CB 2.161 65.379 63.200 0.030 0.000 1.059 177 S HN 0.636 nan 8.310 nan 0.000 0.482 178 P HA 0.258 nan 4.420 nan 0.000 0.288 178 P C 0.121 177.619 177.300 0.331 0.000 1.267 178 P CA -0.639 62.579 63.100 0.196 0.000 0.815 178 P CB 1.049 32.817 31.700 0.114 0.000 0.989 179 W N 1.045 122.382 121.300 0.062 0.000 2.526 179 W HA 0.021 4.694 4.660 0.021 0.000 0.294 179 W C 0.822 177.351 176.519 0.016 0.000 1.181 179 W CA 0.693 58.089 57.345 0.085 0.000 1.373 179 W CB 0.256 29.813 29.460 0.163 0.000 1.112 179 W HN 0.251 nan 8.180 nan 0.000 0.545 180 T N -0.016 114.643 114.554 0.175 0.000 2.900 180 T HA 0.320 4.683 4.350 0.021 0.000 0.295 180 T C -0.015 174.504 174.700 -0.301 0.000 1.044 180 T CA -0.482 61.566 62.100 -0.088 0.000 0.995 180 T CB 1.503 70.324 68.868 -0.078 0.000 1.072 180 T HN -0.051 nan 8.240 nan 0.000 0.473 181 S N 4.016 119.246 115.700 -0.783 0.000 2.655 181 S HA 0.601 5.084 4.470 0.021 0.000 0.265 181 S C -2.644 171.561 174.600 -0.659 0.000 1.240 181 S CA -1.102 56.358 58.200 -1.232 0.000 0.986 181 S CB 0.009 62.073 63.200 -1.894 0.000 0.985 181 S HN 0.549 nan 8.310 nan 0.000 0.562 182 P HA 0.055 nan 4.420 nan 0.000 0.266 182 P C 1.193 178.111 177.300 -0.637 0.000 1.193 182 P CA 0.193 62.986 63.100 -0.512 0.000 0.770 182 P CB 0.235 31.495 31.700 -0.733 0.000 0.836 183 T N -0.948 113.393 114.554 -0.354 0.000 2.821 183 T HA -0.153 4.210 4.350 0.021 0.000 0.267 183 T C 1.381 175.946 174.700 -0.225 0.000 1.046 183 T CA 0.774 62.726 62.100 -0.247 0.000 1.139 183 T CB -0.917 67.907 68.868 -0.073 0.000 0.871 183 T HN 0.559 nan 8.240 nan 0.000 0.454 184 W N 1.438 122.680 121.300 -0.097 0.000 2.747 184 W HA 0.210 4.883 4.660 0.022 0.000 0.244 184 W C 0.787 177.264 176.519 -0.070 0.000 1.270 184 W CA -0.276 57.023 57.345 -0.077 0.000 1.333 184 W CB -1.115 28.296 29.460 -0.082 0.000 1.139 184 W HN 0.295 nan 8.180 nan 0.000 0.662 185 L N 0.532 121.432 121.223 -0.539 0.000 2.607 185 L HA 0.191 4.544 4.340 0.021 0.000 0.228 185 L C 0.729 177.330 176.870 -0.448 0.000 1.123 185 L CA 0.503 55.088 54.840 -0.424 0.000 0.890 185 L CB -0.135 41.547 42.059 -0.629 0.000 1.103 185 L HN -0.271 nan 8.230 nan 0.000 0.468 186 K N -0.623 119.540 120.400 -0.394 0.000 2.203 186 K HA 0.265 4.598 4.320 0.021 0.000 0.251 186 K C 1.146 177.577 176.600 -0.282 0.000 0.944 186 K CA -0.041 56.018 56.287 -0.380 0.000 0.829 186 K CB 1.802 34.085 32.500 -0.361 0.000 1.125 186 K HN -0.094 nan 8.250 nan 0.000 0.430 187 T N -1.474 112.915 114.554 -0.275 0.000 2.737 187 T HA -0.206 4.157 4.350 0.021 0.000 0.269 187 T C 1.263 175.878 174.700 -0.142 0.000 1.040 187 T CA 1.779 63.758 62.100 -0.202 0.000 1.142 187 T CB -0.291 68.467 68.868 -0.183 0.000 0.861 187 T HN 0.700 nan 8.240 nan 0.000 0.456 188 N N 1.360 119.976 118.700 -0.139 0.000 2.280 188 N HA 0.182 4.935 4.740 0.021 0.000 0.192 188 N C 1.494 176.958 175.510 -0.077 0.000 1.109 188 N CA 0.630 53.623 53.050 -0.095 0.000 0.855 188 N CB -0.497 37.938 38.487 -0.088 0.000 0.974 188 N HN 0.684 nan 8.380 nan 0.000 0.482 189 G N -0.339 108.404 108.800 -0.094 0.000 2.249 189 G HA2 -0.043 3.930 3.960 0.021 0.000 0.273 189 G HA3 -0.043 3.930 3.960 0.021 0.000 0.273 189 G C 0.057 174.927 174.900 -0.050 0.000 1.036 189 G CA 0.535 45.599 45.100 -0.060 0.000 0.824 189 G HN 0.898 nan 8.290 nan 0.000 0.504 190 A N -1.798 120.979 122.820 -0.073 0.000 2.532 190 A HA 0.909 5.242 4.320 0.021 0.000 0.290 190 A C 1.250 178.793 177.584 -0.069 0.000 1.143 190 A CA 0.330 52.338 52.037 -0.048 0.000 0.728 190 A CB 1.009 19.997 19.000 -0.019 0.000 1.317 190 A HN 1.464 nan 8.150 nan 0.000 0.414 191 V N -1.220 118.673 119.914 -0.036 0.000 2.591 191 V HA 0.077 4.210 4.120 0.021 0.000 0.249 191 V C 0.682 176.800 176.094 0.040 0.000 1.053 191 V CA 1.663 63.946 62.300 -0.028 0.000 1.068 191 V CB -1.471 30.334 31.823 -0.029 0.000 0.689 191 V HN 0.895 nan 8.190 nan 0.000 0.462 192 N N 0.580 119.327 118.700 0.079 0.000 2.879 192 N HA 0.676 5.429 4.740 0.021 0.000 0.329 192 N C 0.503 176.037 175.510 0.040 0.000 1.337 192 N CA 0.185 53.300 53.050 0.108 0.000 0.844 192 N CB 0.312 38.901 38.487 0.169 0.000 1.236 192 N HN 0.878 nan 8.380 nan 0.000 0.601 193 G N -0.763 108.068 108.800 0.050 0.000 2.782 193 G HA2 -0.190 3.782 3.960 0.021 0.000 0.228 193 G HA3 -0.190 3.782 3.960 0.021 0.000 0.228 193 G C -0.945 173.945 174.900 -0.018 0.000 1.372 193 G CA -0.127 44.983 45.100 0.016 0.000 0.862 193 G HN 0.891 nan 8.290 nan 0.000 0.547 194 K N 0.490 120.867 120.400 -0.038 0.000 2.276 194 K HA 0.610 4.943 4.320 0.021 0.000 0.285 194 K C 0.468 177.008 176.600 -0.101 0.000 1.062 194 K CA 0.245 56.489 56.287 -0.073 0.000 0.918 194 K CB 0.375 32.840 32.500 -0.058 0.000 1.055 194 K HN 1.851 nan 8.250 nan 0.000 0.477 195 G N 1.443 110.157 108.800 -0.144 0.000 2.489 195 G HA2 0.320 4.293 3.960 0.021 0.000 0.291 195 G HA3 0.320 4.293 3.960 0.021 0.000 0.291 195 G C -1.438 173.307 174.900 -0.259 0.000 1.487 195 G CA -0.542 44.450 45.100 -0.181 0.000 0.795 195 G HN 0.687 nan 8.290 nan 0.000 0.513 196 S N -0.869 114.650 115.700 -0.301 0.000 2.851 196 S HA 0.793 5.275 4.470 0.021 0.000 0.317 196 S C -0.109 174.200 174.600 -0.485 0.000 1.144 196 S CA -0.930 57.000 58.200 -0.450 0.000 0.862 196 S CB 0.901 63.855 63.200 -0.411 0.000 1.259 196 S HN 0.801 nan 8.310 nan 0.000 0.564 197 L N 1.568 122.404 121.223 -0.645 0.000 2.525 197 L HA 0.190 4.543 4.340 0.021 0.000 0.278 197 L C 0.653 177.295 176.870 -0.379 0.000 1.218 197 L CA -0.041 54.429 54.840 -0.616 0.000 0.878 197 L CB 0.070 41.581 42.059 -0.913 0.000 1.127 197 L HN 0.668 nan 8.230 nan 0.000 0.492 198 K N 1.904 122.018 120.400 -0.476 0.000 2.276 198 K HA 0.323 4.655 4.320 0.021 0.000 0.259 198 K C 0.882 177.381 176.600 -0.169 0.000 1.001 198 K CA 0.628 56.615 56.287 -0.500 0.000 0.927 198 K CB 0.456 32.289 32.500 -1.111 0.000 0.969 198 K HN 0.811 nan 8.250 nan 0.000 0.490 199 G N 0.957 109.726 108.800 -0.052 0.000 2.556 199 G HA2 -0.326 3.647 3.960 0.021 0.000 0.283 199 G HA3 -0.326 3.647 3.960 0.021 0.000 0.283 199 G C -0.905 174.067 174.900 0.120 0.000 1.177 199 G CA 0.548 45.728 45.100 0.133 0.000 0.978 199 G HN 0.747 nan 8.290 nan 0.000 0.554 200 Q N -1.410 118.435 119.800 0.075 0.000 2.522 200 Q HA 0.625 4.978 4.340 0.021 0.000 0.285 200 Q C -3.305 172.284 176.000 -0.685 0.000 0.982 200 Q CA -1.929 53.691 55.803 -0.305 0.000 0.805 200 Q CB 2.037 30.658 28.738 -0.196 0.000 1.457 200 Q HN 0.476 nan 8.270 nan 0.000 0.394 201 P HA 0.021 nan 4.420 nan 0.000 0.264 201 P C 0.685 177.899 177.300 -0.144 0.000 1.179 201 P CA 2.171 64.975 63.100 -0.493 0.000 0.763 201 P CB 0.384 32.045 31.700 -0.065 0.000 0.806 202 G N 1.437 110.253 108.800 0.027 0.000 2.299 202 G HA2 -0.215 3.757 3.960 0.021 0.000 0.237 202 G HA3 -0.215 3.757 3.960 0.021 0.000 0.237 202 G C 0.198 175.145 174.900 0.080 0.000 1.027 202 G CA 0.361 45.490 45.100 0.048 0.000 0.619 202 G HN 0.743 nan 8.290 nan 0.000 0.513 203 D N 0.474 120.935 120.400 0.102 0.000 2.414 203 D HA 0.429 5.081 4.640 0.021 0.000 0.251 203 D C 1.813 178.215 176.300 0.170 0.000 1.252 203 D CA -0.215 53.864 54.000 0.133 0.000 0.999 203 D CB 0.331 41.229 40.800 0.163 0.000 1.093 203 D HN 0.387 nan 8.370 nan 0.000 0.515 204 I N -0.372 120.211 120.570 0.022 0.000 2.194 204 I HA -0.354 3.828 4.170 0.021 0.000 0.246 204 I C 1.694 177.869 176.117 0.097 0.000 1.093 204 I CA 1.467 62.727 61.300 -0.067 0.000 1.355 204 I CB -0.127 37.629 38.000 -0.407 0.000 1.046 204 I HN 0.388 nan 8.210 nan 0.000 0.413 205 Y N -0.202 120.292 120.300 0.323 0.000 2.114 205 Y HA -0.284 4.279 4.550 0.021 0.000 0.284 205 Y C 2.604 178.683 175.900 0.299 0.000 1.143 205 Y CA 2.034 60.336 58.100 0.338 0.000 1.135 205 Y CB -0.932 37.648 38.460 0.200 0.000 0.980 205 Y HN 0.242 nan 8.280 nan 0.000 0.499 206 H N -0.571 118.753 119.070 0.423 0.000 2.389 206 H HA -0.133 4.436 4.556 0.021 0.000 0.299 206 H C 2.127 177.739 175.328 0.474 0.000 1.081 206 H CA 1.551 57.877 56.048 0.465 0.000 1.345 206 H CB -0.131 29.899 29.762 0.447 0.000 1.393 206 H HN 0.258 nan 8.280 nan 0.000 0.520 207 Q N -0.092 119.974 119.800 0.442 0.000 2.084 207 Q HA -0.107 4.245 4.340 0.021 0.000 0.202 207 Q C 2.250 178.454 176.000 0.339 0.000 0.978 207 Q CA 1.725 57.716 55.803 0.314 0.000 0.844 207 Q CB -0.507 28.352 28.738 0.203 0.000 0.898 207 Q HN 0.496 nan 8.270 nan 0.000 0.426 208 T N 0.817 115.609 114.554 0.396 0.000 2.684 208 T HA -0.190 4.173 4.350 0.021 0.000 0.267 208 T C 1.239 176.234 174.700 0.493 0.000 1.036 208 T CA 1.197 63.565 62.100 0.445 0.000 1.148 208 T CB -0.454 68.741 68.868 0.544 0.000 0.863 208 T HN 0.520 nan 8.240 nan 0.000 0.436 209 W N 1.604 123.062 121.300 0.263 0.000 2.363 209 W HA -0.110 4.563 4.660 0.021 0.000 0.296 209 W C 2.523 179.335 176.519 0.488 0.000 1.212 209 W CA 0.844 58.334 57.345 0.242 0.000 1.260 209 W CB -0.212 29.299 29.460 0.085 0.000 1.131 209 W HN 0.305 nan 8.180 nan 0.000 0.530 210 A N 1.017 124.066 122.820 0.382 0.000 1.898 210 A HA -0.207 4.126 4.320 0.021 0.000 0.216 210 A C 1.877 179.564 177.584 0.172 0.000 1.181 210 A CA 1.740 53.864 52.037 0.146 0.000 0.620 210 A CB -0.969 18.032 19.000 0.002 0.000 0.819 210 A HN 0.312 nan 8.150 nan 0.000 0.442 211 R N -2.053 118.571 120.500 0.208 0.000 2.139 211 R HA -0.189 4.164 4.340 0.021 0.000 0.243 211 R C 1.970 178.364 176.300 0.157 0.000 1.145 211 R CA 1.808 58.006 56.100 0.164 0.000 0.976 211 R CB -0.530 29.880 30.300 0.183 0.000 0.866 211 R HN 0.775 nan 8.270 nan 0.000 0.449 212 Y N -0.418 119.922 120.300 0.068 0.000 2.242 212 Y HA -0.209 4.354 4.550 0.021 0.000 0.291 212 Y C 1.468 177.300 175.900 -0.114 0.000 1.137 212 Y CA 1.246 59.346 58.100 -0.001 0.000 1.181 212 Y CB -0.082 38.441 38.460 0.105 0.000 0.989 212 Y HN -0.074 nan 8.280 nan 0.000 0.527 213 F N -0.361 119.558 119.950 -0.052 0.000 2.063 213 F HA -0.332 4.208 4.527 0.021 0.000 0.298 213 F C 2.381 178.132 175.800 -0.082 0.000 1.109 213 F CA 1.950 59.873 58.000 -0.129 0.000 1.212 213 F CB -1.236 37.623 39.000 -0.234 0.000 0.973 213 F HN -0.111 nan 8.300 nan 0.000 0.480 214 V N -0.081 119.894 119.914 0.102 0.000 2.407 214 V HA -0.253 3.880 4.120 0.021 0.000 0.248 214 V C 2.368 178.410 176.094 -0.087 0.000 1.055 214 V CA 1.627 63.959 62.300 0.053 0.000 1.049 214 V CB -0.555 31.318 31.823 0.083 0.000 0.662 214 V HN 0.262 nan 8.190 nan 0.000 0.455 215 K N -0.453 119.769 120.400 -0.297 0.000 2.097 215 K HA -0.135 4.198 4.320 0.021 0.000 0.205 215 K C 2.084 178.311 176.600 -0.622 0.000 1.050 215 K CA 1.467 57.337 56.287 -0.696 0.000 0.938 215 K CB -0.576 31.030 32.500 -1.490 0.000 0.718 215 K HN 0.523 nan 8.250 nan 0.000 0.442 216 F N 2.212 121.845 119.950 -0.528 0.000 2.069 216 F HA -0.206 4.334 4.527 0.021 0.000 0.298 216 F C 1.988 177.669 175.800 -0.198 0.000 1.113 216 F CA 1.371 59.238 58.000 -0.220 0.000 1.214 216 F CB -0.316 38.527 39.000 -0.262 0.000 0.978 216 F HN -0.139 nan 8.300 nan 0.000 0.474 217 L N 0.069 121.162 121.223 -0.215 0.000 2.046 217 L HA -0.214 4.139 4.340 0.021 0.000 0.208 217 L C 2.172 178.847 176.870 -0.324 0.000 1.077 217 L CA 1.353 55.927 54.840 -0.443 0.000 0.747 217 L CB -0.925 40.668 42.059 -0.777 0.000 0.896 217 L HN 0.097 nan 8.230 nan 0.000 0.432 218 D N 0.353 120.690 120.400 -0.105 0.000 2.123 218 D HA -0.189 4.464 4.640 0.021 0.000 0.196 218 D C 2.223 178.527 176.300 0.007 0.000 0.992 218 D CA 1.605 55.648 54.000 0.072 0.000 0.833 218 D CB -0.067 40.750 40.800 0.029 0.000 0.954 218 D HN 0.345 nan 8.370 nan 0.000 0.455 219 A N -0.168 122.621 122.820 -0.050 0.000 1.898 219 A HA -0.177 4.156 4.320 0.021 0.000 0.216 219 A C 2.045 179.662 177.584 0.056 0.000 1.181 219 A CA 0.961 53.010 52.037 0.020 0.000 0.620 219 A CB -0.945 18.091 19.000 0.061 0.000 0.819 219 A HN 0.202 nan 8.150 nan 0.000 0.442 220 Y N -0.034 120.134 120.300 -0.221 0.000 2.293 220 Y HA -0.012 4.551 4.550 0.021 0.000 0.291 220 Y C 2.800 178.717 175.900 0.027 0.000 1.137 220 Y CA 0.529 58.565 58.100 -0.106 0.000 1.202 220 Y CB -0.405 37.969 38.460 -0.142 0.000 0.990 220 Y HN 0.335 nan 8.280 nan 0.000 0.537 221 A N -0.250 122.654 122.820 0.141 0.000 2.015 221 A HA -0.168 4.165 4.320 0.021 0.000 0.219 221 A C 1.973 179.599 177.584 0.070 0.000 1.163 221 A CA 1.542 53.656 52.037 0.127 0.000 0.646 221 A CB -0.491 18.616 19.000 0.179 0.000 0.806 221 A HN 0.475 nan 8.150 nan 0.000 0.448 222 E N -0.893 119.326 120.200 0.032 0.000 2.338 222 E HA -0.105 4.258 4.350 0.021 0.000 0.197 222 E C 0.812 177.306 176.600 -0.177 0.000 1.007 222 E CA 0.656 57.013 56.400 -0.072 0.000 0.849 222 E CB -0.082 29.555 29.700 -0.105 0.000 0.774 222 E HN 0.711 nan 8.360 nan 0.000 0.506 223 H N 0.084 119.125 119.070 -0.048 0.000 2.505 223 H HA 0.201 4.770 4.556 0.021 0.000 0.289 223 H C -0.223 175.157 175.328 0.087 0.000 1.052 223 H CA 0.169 56.208 56.048 -0.015 0.000 1.156 223 H CB 0.346 30.043 29.762 -0.109 0.000 1.507 223 H HN 0.030 nan 8.280 nan 0.000 0.548 224 K N 0.612 121.093 120.400 0.135 0.000 3.218 224 K HA -0.137 4.196 4.320 0.021 0.000 0.276 224 K C -0.768 175.921 176.600 0.148 0.000 1.173 224 K CA 0.233 56.599 56.287 0.132 0.000 0.812 224 K CB -1.644 30.922 32.500 0.111 0.000 1.275 224 K HN 0.251 nan 8.250 nan 0.000 0.504 225 L N 1.464 122.748 121.223 0.102 0.000 2.376 225 L HA 0.331 4.684 4.340 0.021 0.000 0.275 225 L C 0.061 176.952 176.870 0.035 0.000 0.987 225 L CA -0.863 53.989 54.840 0.019 0.000 0.828 225 L CB 1.757 43.805 42.059 -0.018 0.000 1.249 225 L HN 0.035 nan 8.230 nan 0.000 0.409 226 Q N 2.559 122.334 119.800 -0.041 0.000 2.306 226 Q HA 0.546 4.899 4.340 0.021 0.000 0.265 226 Q C -1.158 174.785 176.000 -0.096 0.000 1.022 226 Q CA -0.586 55.239 55.803 0.037 0.000 0.853 226 Q CB 2.916 31.692 28.738 0.064 0.000 1.327 226 Q HN 0.305 nan 8.270 nan 0.000 0.449 227 F N 0.148 120.130 119.950 0.053 0.000 2.425 227 F HA 0.181 4.721 4.527 0.021 0.000 0.331 227 F C 0.956 176.819 175.800 0.104 0.000 1.085 227 F CA -0.748 57.300 58.000 0.079 0.000 1.028 227 F CB 0.840 39.868 39.000 0.047 0.000 1.177 227 F HN 0.715 nan 8.300 nan 0.000 0.487 228 W N 3.131 124.498 121.300 0.112 0.000 2.453 228 W HA 0.461 5.135 4.660 0.022 0.000 0.289 228 W C -0.265 176.264 176.519 0.017 0.000 1.215 228 W CA 0.880 58.240 57.345 0.025 0.000 1.297 228 W CB -0.012 29.434 29.460 -0.024 0.000 1.113 228 W HN 0.441 nan 8.180 nan 0.000 0.551 229 A N 0.342 122.972 122.820 -0.317 0.000 2.612 229 A HA 0.588 4.921 4.320 0.021 0.000 0.293 229 A C -1.349 176.064 177.584 -0.284 0.000 1.075 229 A CA -0.215 51.428 52.037 -0.657 0.000 0.680 229 A CB 0.870 18.937 19.000 -1.555 0.000 1.279 229 A HN 0.569 nan 8.150 nan 0.000 0.411 230 V N -1.024 118.718 119.914 -0.287 0.000 2.962 230 V HA 0.942 5.075 4.120 0.021 0.000 0.313 230 V C 0.055 176.045 176.094 -0.173 0.000 1.099 230 V CA 0.036 62.228 62.300 -0.179 0.000 0.971 230 V CB 1.273 33.045 31.823 -0.084 0.000 1.028 230 V HN 1.627 nan 8.190 nan 0.000 0.430 231 T N 0.482 114.972 114.554 -0.106 0.000 2.881 231 T HA 0.726 5.089 4.350 0.021 0.000 0.278 231 T C 1.083 175.753 174.700 -0.050 0.000 0.982 231 T CA -0.023 62.009 62.100 -0.113 0.000 0.989 231 T CB 1.655 70.453 68.868 -0.117 0.000 1.058 231 T HN 1.555 nan 8.240 nan 0.000 0.529 232 A N 0.126 122.878 122.820 -0.113 0.000 2.072 232 A HA 0.408 4.740 4.320 0.021 0.000 0.216 232 A C 0.787 178.364 177.584 -0.012 0.000 1.156 232 A CA 0.899 52.874 52.037 -0.103 0.000 0.701 232 A CB -0.641 18.251 19.000 -0.180 0.000 0.816 232 A HN 0.969 nan 8.150 nan 0.000 0.458 233 E N -1.709 118.429 120.200 -0.102 0.000 2.393 233 E HA 0.257 4.620 4.350 0.021 0.000 0.282 233 E C -1.518 174.922 176.600 -0.267 0.000 1.096 233 E CA -0.476 55.857 56.400 -0.113 0.000 0.866 233 E CB 0.166 29.750 29.700 -0.194 0.000 1.232 233 E HN 0.146 nan 8.360 nan 0.000 0.431 234 N N 2.183 120.656 118.700 -0.379 0.000 2.444 234 N HA 0.234 4.987 4.740 0.021 0.000 0.271 234 N C -0.940 174.234 175.510 -0.560 0.000 1.069 234 N CA 0.121 52.785 53.050 -0.644 0.000 0.965 234 N CB 0.556 38.212 38.487 -1.385 0.000 1.092 234 N HN 0.575 nan 8.380 nan 0.000 0.476 235 E N 1.810 121.663 120.200 -0.578 0.000 2.197 235 E HA -0.181 4.182 4.350 0.021 0.000 0.184 235 E C -1.691 174.665 176.600 -0.406 0.000 1.439 235 E CA 0.071 56.163 56.400 -0.514 0.000 0.688 235 E CB -0.540 28.922 29.700 -0.397 0.000 1.090 235 E HN 0.689 nan 8.360 nan 0.000 0.341 236 P HA -0.252 nan 4.420 nan 0.000 0.218 236 P C 1.514 178.769 177.300 -0.075 0.000 1.148 236 P CA 1.847 64.884 63.100 -0.105 0.000 0.822 236 P CB 0.064 31.754 31.700 -0.017 0.000 0.784 237 S N -0.231 115.350 115.700 -0.197 0.000 2.447 237 S HA -0.027 4.456 4.470 0.021 0.000 0.233 237 S C 2.129 176.585 174.600 -0.240 0.000 1.006 237 S CA 0.903 59.039 58.200 -0.106 0.000 0.957 237 S CB -1.076 62.041 63.200 -0.138 0.000 0.773 237 S HN 0.142 nan 8.310 nan 0.000 0.507 238 A N 1.488 124.049 122.820 -0.431 0.000 1.930 238 A HA 0.283 4.616 4.320 0.021 0.000 0.217 238 A C 2.267 179.449 177.584 -0.670 0.000 1.175 238 A CA 1.178 52.723 52.037 -0.820 0.000 0.627 238 A CB -1.532 16.631 19.000 -1.395 0.000 0.815 238 A HN 0.693 nan 8.150 nan 0.000 0.443 239 G N -0.828 107.731 108.800 -0.402 0.000 2.776 239 G HA2 0.163 4.136 3.960 0.021 0.000 0.209 239 G HA3 0.163 4.136 3.960 0.021 0.000 0.209 239 G C 1.083 175.867 174.900 -0.193 0.000 1.145 239 G CA 0.490 45.424 45.100 -0.277 0.000 0.791 239 G HN 0.447 nan 8.290 nan 0.000 0.530 240 L N -0.455 120.665 121.223 -0.171 0.000 2.616 240 L HA 0.374 4.727 4.340 0.021 0.000 0.229 240 L C 0.467 177.286 176.870 -0.086 0.000 1.110 240 L CA -0.090 54.689 54.840 -0.102 0.000 0.884 240 L CB 0.188 42.215 42.059 -0.053 0.000 1.115 240 L HN 0.055 nan 8.230 nan 0.000 0.481 241 L N 0.969 122.130 121.223 -0.104 0.000 2.265 241 L HA 0.241 4.594 4.340 0.021 0.000 0.288 241 L C 0.683 177.552 176.870 -0.001 0.000 1.058 241 L CA -0.387 54.432 54.840 -0.035 0.000 0.809 241 L CB 1.333 43.400 42.059 0.013 0.000 1.179 241 L HN 0.121 nan 8.230 nan 0.000 0.429 242 S N 1.387 117.081 115.700 -0.010 0.000 2.572 242 S HA 0.332 4.815 4.470 0.021 0.000 0.279 242 S C 1.258 175.859 174.600 0.002 0.000 1.341 242 S CA -0.090 58.104 58.200 -0.010 0.000 1.043 242 S CB 1.219 64.406 63.200 -0.021 0.000 0.887 242 S HN 1.043 nan 8.310 nan 0.000 0.516 243 G N 0.412 109.210 108.800 -0.003 0.000 2.180 243 G HA2 -0.337 3.636 3.960 0.021 0.000 0.263 243 G HA3 -0.337 3.636 3.960 0.021 0.000 0.263 243 G C -0.089 174.798 174.900 -0.021 0.000 0.989 243 G CA 0.567 45.658 45.100 -0.015 0.000 0.692 243 G HN 1.049 nan 8.290 nan 0.000 0.526 244 Y N 1.712 121.940 120.300 -0.120 0.000 2.810 244 Y HA 0.246 4.809 4.550 0.021 0.000 0.332 244 Y C -0.092 175.701 175.900 -0.179 0.000 1.243 244 Y CA -0.326 57.664 58.100 -0.183 0.000 1.537 244 Y CB 0.994 39.314 38.460 -0.233 0.000 1.265 244 Y HN 0.096 nan 8.280 nan 0.000 0.572 245 P HA -0.039 nan 4.420 nan 0.000 0.226 245 P C -0.455 176.757 177.300 -0.147 0.000 1.161 245 P CA 0.957 63.858 63.100 -0.331 0.000 0.804 245 P CB 0.148 31.634 31.700 -0.357 0.000 0.829 246 F N -1.718 118.151 119.950 -0.135 0.000 2.835 246 F HA 0.722 5.262 4.527 0.021 0.000 0.373 246 F C -0.211 175.812 175.800 0.372 0.000 1.209 246 F CA -1.927 56.155 58.000 0.137 0.000 1.082 246 F CB -0.489 38.486 39.000 -0.041 0.000 1.472 246 F HN -0.461 nan 8.300 nan 0.000 0.519 247 Q N 0.783 121.056 119.800 0.789 0.000 2.330 247 Q HA 0.453 4.806 4.340 0.021 0.000 0.279 247 Q C -0.367 175.881 176.000 0.414 0.000 1.024 247 Q CA 0.520 56.620 55.803 0.495 0.000 0.900 247 Q CB 0.704 29.690 28.738 0.413 0.000 1.221 247 Q HN 0.903 nan 8.270 nan 0.000 0.396 248 C N 0.322 119.718 119.300 0.159 0.000 3.275 248 C HA 0.832 5.305 4.460 0.021 0.000 0.340 248 C C -2.011 172.910 174.990 -0.116 0.000 1.366 248 C CA -1.204 57.812 59.018 -0.004 0.000 1.227 248 C CB 0.585 28.235 27.740 -0.150 0.000 1.512 248 C HN 0.811 nan 8.230 nan 0.000 0.461 249 L N 1.809 122.935 121.223 -0.162 0.000 2.639 249 L HA 0.745 5.098 4.340 0.021 0.000 0.264 249 L C 0.060 176.823 176.870 -0.178 0.000 0.948 249 L CA 0.523 55.219 54.840 -0.240 0.000 0.912 249 L CB 1.419 43.331 42.059 -0.245 0.000 1.294 249 L HN 1.470 nan 8.230 nan 0.000 0.412 250 G N 3.262 111.892 108.800 -0.283 0.000 2.356 250 G HA2 0.591 4.564 3.960 0.021 0.000 0.298 250 G HA3 0.591 4.564 3.960 0.021 0.000 0.298 250 G C -1.367 173.378 174.900 -0.259 0.000 1.145 250 G CA -0.141 44.856 45.100 -0.170 0.000 0.850 250 G HN 0.343 nan 8.290 nan 0.000 0.487 251 F N 0.290 120.193 119.950 -0.078 0.000 2.561 251 F HA 0.390 4.930 4.527 0.022 0.000 0.313 251 F C 0.885 176.746 175.800 0.102 0.000 1.126 251 F CA -0.840 57.129 58.000 -0.051 0.000 0.918 251 F CB 2.195 41.143 39.000 -0.086 0.000 1.199 251 F HN 0.616 nan 8.300 nan 0.000 0.444 252 T N 0.183 114.861 114.554 0.206 0.000 2.860 252 T HA 0.187 4.550 4.350 0.021 0.000 0.299 252 T C -1.905 172.566 174.700 -0.382 0.000 1.045 252 T CA -1.449 60.635 62.100 -0.026 0.000 1.071 252 T CB 1.074 69.918 68.868 -0.039 0.000 0.985 252 T HN 0.314 nan 8.240 nan 0.000 0.537 253 P HA -0.127 nan 4.420 nan 0.000 0.216 253 P C 1.188 178.172 177.300 -0.526 0.000 1.153 253 P CA 1.214 63.415 63.100 -1.497 0.000 0.858 253 P CB 0.063 30.747 31.700 -1.694 0.000 0.789 254 E N -1.514 118.492 120.200 -0.322 0.000 2.085 254 E HA -0.224 4.138 4.350 0.021 0.000 0.194 254 E C 2.199 178.818 176.600 0.032 0.000 0.994 254 E CA 1.121 57.444 56.400 -0.129 0.000 0.801 254 E CB -1.136 28.503 29.700 -0.101 0.000 0.743 254 E HN 0.355 nan 8.360 nan 0.000 0.453 255 H N 0.512 119.574 119.070 -0.014 0.000 2.389 255 H HA -0.046 4.522 4.556 0.022 0.000 0.299 255 H C 1.993 177.523 175.328 0.337 0.000 1.081 255 H CA 1.868 58.010 56.048 0.156 0.000 1.345 255 H CB 0.033 29.879 29.762 0.141 0.000 1.393 255 H HN 0.261 nan 8.280 nan 0.000 0.520 256 Q N 0.193 120.173 119.800 0.300 0.000 2.049 256 Q HA -0.112 4.241 4.340 0.021 0.000 0.198 256 Q C 2.565 178.657 176.000 0.154 0.000 0.971 256 Q CA 1.044 56.958 55.803 0.184 0.000 0.833 256 Q CB 0.038 28.841 28.738 0.108 0.000 0.896 256 Q HN 0.318 nan 8.270 nan 0.000 0.434 257 R N 0.180 120.715 120.500 0.058 0.000 2.115 257 R HA -0.215 4.138 4.340 0.021 0.000 0.239 257 R C 1.459 177.806 176.300 0.079 0.000 1.133 257 R CA 2.251 58.366 56.100 0.024 0.000 0.935 257 R CB -0.276 30.003 30.300 -0.036 0.000 0.853 257 R HN 0.392 nan 8.270 nan 0.000 0.433 258 D N -0.337 120.146 120.400 0.137 0.000 2.117 258 D HA -0.155 4.497 4.640 0.021 0.000 0.198 258 D C 1.610 178.044 176.300 0.223 0.000 0.982 258 D CA 0.847 54.931 54.000 0.139 0.000 0.828 258 D CB -0.423 40.441 40.800 0.107 0.000 0.967 258 D HN 0.182 nan 8.370 nan 0.000 0.464 259 F N 1.616 121.688 119.950 0.203 0.000 2.091 259 F HA -0.167 4.372 4.527 0.021 0.000 0.299 259 F C 2.119 177.943 175.800 0.040 0.000 1.103 259 F CA 1.035 59.170 58.000 0.226 0.000 1.228 259 F CB -0.530 38.682 39.000 0.353 0.000 0.984 259 F HN -0.121 nan 8.300 nan 0.000 0.477 260 I N -0.125 120.350 120.570 -0.158 0.000 2.286 260 I HA -0.270 3.913 4.170 0.021 0.000 0.248 260 I C 2.534 178.465 176.117 -0.311 0.000 1.115 260 I CA 1.309 62.396 61.300 -0.355 0.000 1.392 260 I CB -0.700 37.199 38.000 -0.168 0.000 1.065 260 I HN 0.225 nan 8.210 nan 0.000 0.418 261 A N 0.284 123.037 122.820 -0.112 0.000 1.984 261 A HA -0.005 4.328 4.320 0.021 0.000 0.214 261 A C 2.346 179.877 177.584 -0.088 0.000 1.173 261 A CA 0.647 52.675 52.037 -0.016 0.000 0.673 261 A CB -0.167 18.871 19.000 0.064 0.000 0.830 261 A HN 0.236 nan 8.150 nan 0.000 0.453 262 R N -0.382 120.067 120.500 -0.085 0.000 2.112 262 R HA 0.056 4.409 4.340 0.021 0.000 0.216 262 R C 0.508 176.745 176.300 -0.105 0.000 1.080 262 R CA 1.374 57.441 56.100 -0.054 0.000 0.996 262 R CB -0.034 30.270 30.300 0.007 0.000 0.902 262 R HN 0.536 nan 8.270 nan 0.000 0.449 263 D N -0.103 120.178 120.400 -0.198 0.000 3.239 263 D HA -0.033 4.620 4.640 0.021 0.000 0.265 263 D C 1.794 177.823 176.300 -0.452 0.000 1.442 263 D CA -0.130 53.747 54.000 -0.205 0.000 1.178 263 D CB -0.454 40.380 40.800 0.056 0.000 1.198 263 D HN -0.079 nan 8.370 nan 0.000 0.366 264 L N 2.239 122.951 121.223 -0.852 0.000 1.994 264 L HA 0.053 4.406 4.340 0.021 0.000 0.208 264 L C 2.210 178.648 176.870 -0.721 0.000 1.071 264 L CA 2.393 56.689 54.840 -0.906 0.000 0.745 264 L CB -1.116 40.146 42.059 -1.329 0.000 0.892 264 L HN 0.132 nan 8.230 nan 0.000 0.431 265 G N -0.283 107.993 108.800 -0.874 0.000 2.545 265 G HA2 -0.244 3.729 3.960 0.021 0.000 0.217 265 G HA3 -0.244 3.729 3.960 0.021 0.000 0.217 265 G C -0.604 173.656 174.900 -1.066 0.000 1.218 265 G CA 1.050 45.345 45.100 -1.342 0.000 0.787 265 G HN 0.386 nan 8.290 nan 0.000 0.571 266 P HA -0.041 nan 4.420 nan 0.000 0.216 266 P C 2.023 179.198 177.300 -0.209 0.000 1.150 266 P CA 1.814 64.706 63.100 -0.347 0.000 0.837 266 P CB -0.236 31.333 31.700 -0.219 0.000 0.786 267 T N -0.455 113.957 114.554 -0.238 0.000 2.777 267 T HA -0.043 4.320 4.350 0.021 0.000 0.266 267 T C 1.763 176.402 174.700 -0.103 0.000 1.040 267 T CA 0.913 62.932 62.100 -0.134 0.000 1.141 267 T CB -0.845 67.952 68.868 -0.119 0.000 0.868 267 T HN 0.035 nan 8.240 nan 0.000 0.444 268 L N 0.786 121.910 121.223 -0.166 0.000 2.017 268 L HA -0.131 4.222 4.340 0.021 0.000 0.208 268 L C 3.070 179.945 176.870 0.008 0.000 1.073 268 L CA 1.355 56.145 54.840 -0.084 0.000 0.745 268 L CB -0.731 41.234 42.059 -0.156 0.000 0.894 268 L HN 0.255 nan 8.230 nan 0.000 0.432 269 A N 0.238 123.054 122.820 -0.006 0.000 1.908 269 A HA -0.276 4.057 4.320 0.021 0.000 0.218 269 A C 1.910 179.525 177.584 0.051 0.000 1.181 269 A CA 2.266 54.346 52.037 0.072 0.000 0.627 269 A CB -0.722 18.349 19.000 0.118 0.000 0.818 269 A HN 0.486 nan 8.150 nan 0.000 0.445 270 N N -0.399 118.309 118.700 0.013 0.000 2.434 270 N HA 0.020 4.773 4.740 0.021 0.000 0.196 270 N C 0.346 175.867 175.510 0.020 0.000 1.183 270 N CA 0.747 53.801 53.050 0.007 0.000 0.849 270 N CB -0.154 38.330 38.487 -0.005 0.000 0.992 270 N HN 0.547 nan 8.380 nan 0.000 0.460 271 S N -2.456 113.274 115.700 0.050 0.000 2.759 271 S HA 0.269 4.752 4.470 0.021 0.000 0.310 271 S C 1.173 175.801 174.600 0.047 0.000 1.123 271 S CA -0.138 58.081 58.200 0.033 0.000 0.959 271 S CB 0.695 63.920 63.200 0.041 0.000 1.172 271 S HN 0.199 nan 8.310 nan 0.000 0.539 272 T N -1.785 112.692 114.554 -0.129 0.000 3.160 272 T HA 0.086 4.449 4.350 0.021 0.000 0.257 272 T C 0.498 174.963 174.700 -0.391 0.000 1.147 272 T CA 0.571 62.537 62.100 -0.223 0.000 1.064 272 T CB -0.669 68.002 68.868 -0.328 0.000 0.949 272 T HN 0.728 nan 8.240 nan 0.000 0.526 273 H N 0.785 119.831 119.070 -0.040 0.000 2.487 273 H HA 0.193 4.762 4.556 0.021 0.000 0.290 273 H C 1.500 176.736 175.328 -0.153 0.000 1.081 273 H CA 0.309 56.297 56.048 -0.101 0.000 1.116 273 H CB -0.267 29.479 29.762 -0.027 0.000 1.560 273 H HN 0.811 nan 8.280 nan 0.000 0.548 274 H N -0.567 118.537 119.070 0.057 0.000 2.456 274 H HA -0.052 4.517 4.556 0.021 0.000 0.296 274 H C 1.381 176.722 175.328 0.020 0.000 1.079 274 H CA 1.075 57.140 56.048 0.028 0.000 1.322 274 H CB -0.009 29.759 29.762 0.011 0.000 1.388 274 H HN 0.035 nan 8.280 nan 0.000 0.538 275 N N 0.951 119.459 118.700 -0.319 0.000 2.453 275 N HA -0.039 4.714 4.740 0.021 0.000 0.183 275 N C -0.068 175.401 175.510 -0.068 0.000 1.041 275 N CA 0.478 53.463 53.050 -0.109 0.000 0.900 275 N CB 0.006 38.409 38.487 -0.141 0.000 0.961 275 N HN 0.205 nan 8.380 nan 0.000 0.443 276 V N 3.255 123.133 119.914 -0.060 0.000 2.599 276 V HA -0.041 4.092 4.120 0.021 0.000 0.300 276 V C 0.836 176.832 176.094 -0.164 0.000 1.034 276 V CA -0.022 62.230 62.300 -0.081 0.000 1.115 276 V CB 0.412 32.215 31.823 -0.034 0.000 0.934 276 V HN 0.125 nan 8.190 nan 0.000 0.485 277 R N 3.605 123.914 120.500 -0.319 0.000 2.490 277 R HA 0.483 4.836 4.340 0.021 0.000 0.278 277 R C -0.538 175.559 176.300 -0.340 0.000 1.069 277 R CA -0.811 55.057 56.100 -0.387 0.000 1.080 277 R CB 0.901 30.798 30.300 -0.672 0.000 1.030 277 R HN 0.520 nan 8.270 nan 0.000 0.491 278 L N 3.322 124.413 121.223 -0.219 0.000 2.296 278 L HA 0.443 4.795 4.340 0.021 0.000 0.286 278 L C -1.076 175.693 176.870 -0.169 0.000 1.023 278 L CA -0.243 54.474 54.840 -0.206 0.000 0.812 278 L CB 1.065 43.017 42.059 -0.179 0.000 1.223 278 L HN 0.445 nan 8.230 nan 0.000 0.421 279 L N 5.796 126.896 121.223 -0.205 0.000 2.334 279 L HA 0.614 4.967 4.340 0.021 0.000 0.276 279 L C 0.209 176.993 176.870 -0.143 0.000 1.014 279 L CA -0.741 54.003 54.840 -0.160 0.000 0.815 279 L CB 1.771 43.712 42.059 -0.196 0.000 1.268 279 L HN 0.769 nan 8.230 nan 0.000 0.428 280 M N 1.398 120.930 119.600 -0.114 0.000 2.679 280 M HA 0.542 5.034 4.480 0.021 0.000 0.287 280 M C 0.625 176.839 176.300 -0.144 0.000 1.202 280 M CA -0.438 54.795 55.300 -0.112 0.000 0.911 280 M CB 1.523 34.083 32.600 -0.066 0.000 1.556 280 M HN 0.464 nan 8.290 nan 0.000 0.511 281 L N 0.192 121.305 121.223 -0.183 0.000 3.412 281 L HA -0.346 4.007 4.340 0.021 0.000 0.253 281 L C 0.483 177.048 176.870 -0.508 0.000 4.367 281 L CA 2.876 57.473 54.840 -0.405 0.000 0.793 281 L CB -1.955 39.909 42.059 -0.325 0.000 3.488 281 L HN 1.155 nan 8.230 nan 0.000 0.786 282 D N 0.830 121.006 120.400 -0.373 0.000 2.730 282 D HA -0.154 4.499 4.640 0.021 0.000 0.227 282 D C -0.101 175.654 176.300 -0.909 0.000 1.196 282 D CA 1.457 55.190 54.000 -0.445 0.000 0.620 282 D CB -0.668 39.935 40.800 -0.328 0.000 1.012 282 D HN 0.681 nan 8.370 nan 0.000 0.411 283 D N -1.020 118.888 120.400 -0.820 0.000 2.652 283 D HA 0.222 4.875 4.640 0.021 0.000 0.285 283 D C -0.187 175.825 176.300 -0.480 0.000 1.173 283 D CA -0.460 53.058 54.000 -0.804 0.000 0.981 283 D CB 0.872 41.216 40.800 -0.759 0.000 1.440 283 D HN 0.274 nan 8.370 nan 0.000 0.485 284 Q N 0.142 119.752 119.800 -0.317 0.000 2.524 284 Q HA 0.206 4.558 4.340 0.021 0.000 0.246 284 Q C 0.782 176.650 176.000 -0.221 0.000 1.063 284 Q CA 0.024 55.725 55.803 -0.171 0.000 0.945 284 Q CB 1.177 29.843 28.738 -0.120 0.000 1.292 284 Q HN 0.296 nan 8.270 nan 0.000 0.518 285 R N 0.437 120.796 120.500 -0.235 0.000 2.091 285 R HA -0.105 4.248 4.340 0.021 0.000 0.238 285 R C 1.957 178.149 176.300 -0.179 0.000 1.136 285 R CA 1.575 57.518 56.100 -0.261 0.000 0.959 285 R CB -0.475 29.562 30.300 -0.438 0.000 0.856 285 R HN 0.624 nan 8.270 nan 0.000 0.437 286 L N 1.003 122.130 121.223 -0.161 0.000 2.633 286 L HA -0.077 4.276 4.340 0.021 0.000 0.235 286 L C 1.580 178.422 176.870 -0.048 0.000 1.163 286 L CA 0.416 55.197 54.840 -0.098 0.000 0.859 286 L CB -0.165 41.841 42.059 -0.088 0.000 0.973 286 L HN 0.206 nan 8.230 nan 0.000 0.451 287 L N -0.525 120.647 121.223 -0.084 0.000 2.599 287 L HA 0.060 4.413 4.340 0.021 0.000 0.230 287 L C 0.546 177.487 176.870 0.119 0.000 1.141 287 L CA 0.216 55.053 54.840 -0.004 0.000 0.877 287 L CB 0.023 41.899 42.059 -0.305 0.000 1.009 287 L HN 0.197 nan 8.230 nan 0.000 0.447 288 L N 0.392 121.644 121.223 0.048 0.000 2.331 288 L HA 0.316 4.668 4.340 0.021 0.000 0.275 288 L C -1.622 175.309 176.870 0.101 0.000 1.022 288 L CA -1.509 53.385 54.840 0.091 0.000 0.812 288 L CB 1.788 43.870 42.059 0.039 0.000 1.257 288 L HN -0.195 nan 8.230 nan 0.000 0.435 289 P HA 0.049 nan 4.420 nan 0.000 0.261 289 P C 0.790 178.227 177.300 0.229 0.000 1.268 289 P CA 0.177 63.386 63.100 0.181 0.000 0.833 289 P CB 0.104 31.906 31.700 0.170 0.000 1.231 290 H N -0.497 118.661 119.070 0.147 0.000 2.289 290 H HA -0.180 4.389 4.556 0.021 0.000 0.296 290 H C 1.335 176.759 175.328 0.160 0.000 1.091 290 H CA 2.186 58.315 56.048 0.134 0.000 1.274 290 H CB -0.783 29.045 29.762 0.110 0.000 1.364 290 H HN 0.024 nan 8.280 nan 0.000 0.490 291 W N 0.484 121.730 121.300 -0.090 0.000 2.342 291 W HA -0.101 4.572 4.660 0.022 0.000 0.297 291 W C 2.893 179.311 176.519 -0.169 0.000 1.213 291 W CA 2.094 59.338 57.345 -0.168 0.000 1.251 291 W CB -0.735 28.669 29.460 -0.093 0.000 1.136 291 W HN 0.390 nan 8.180 nan 0.000 0.526 292 A N 0.056 122.953 122.820 0.128 0.000 1.898 292 A HA -0.196 4.137 4.320 0.021 0.000 0.216 292 A C 1.990 179.515 177.584 -0.097 0.000 1.181 292 A CA 1.701 53.717 52.037 -0.035 0.000 0.620 292 A CB -0.599 18.424 19.000 0.039 0.000 0.819 292 A HN 0.249 nan 8.150 nan 0.000 0.442 293 K N -0.360 120.103 120.400 0.105 0.000 2.063 293 K HA -0.097 4.236 4.320 0.021 0.000 0.208 293 K C 1.926 178.511 176.600 -0.025 0.000 1.048 293 K CA 1.507 57.897 56.287 0.171 0.000 0.928 293 K CB -0.465 32.120 32.500 0.142 0.000 0.713 293 K HN 0.323 nan 8.250 nan 0.000 0.442 294 V N 1.088 120.887 119.914 -0.191 0.000 2.343 294 V HA -0.205 3.928 4.120 0.021 0.000 0.247 294 V C 2.304 178.292 176.094 -0.176 0.000 1.051 294 V CA 1.494 63.650 62.300 -0.240 0.000 1.036 294 V CB -0.224 31.337 31.823 -0.437 0.000 0.654 294 V HN 0.074 nan 8.190 nan 0.000 0.451 295 V N -0.615 119.194 119.914 -0.176 0.000 2.379 295 V HA -0.092 4.041 4.120 0.021 0.000 0.243 295 V C 2.128 178.116 176.094 -0.177 0.000 1.035 295 V CA 1.458 63.671 62.300 -0.145 0.000 1.035 295 V CB -0.346 31.417 31.823 -0.099 0.000 0.673 295 V HN 0.406 nan 8.190 nan 0.000 0.457 296 L N 0.779 121.815 121.223 -0.312 0.000 2.313 296 L HA -0.057 4.296 4.340 0.021 0.000 0.214 296 L C 2.493 179.265 176.870 -0.164 0.000 1.119 296 L CA 1.616 56.204 54.840 -0.420 0.000 0.809 296 L CB -0.849 40.533 42.059 -1.127 0.000 0.933 296 L HN 0.560 nan 8.230 nan 0.000 0.449 297 T N -4.430 110.107 114.554 -0.029 0.000 3.148 297 T HA -0.061 4.302 4.350 0.021 0.000 0.253 297 T C 0.596 175.302 174.700 0.011 0.000 1.134 297 T CA -0.122 62.022 62.100 0.073 0.000 1.051 297 T CB -0.249 68.681 68.868 0.103 0.000 0.959 297 T HN 0.063 nan 8.240 nan 0.000 0.525 298 D N 2.558 122.942 120.400 -0.028 0.000 2.359 298 D HA 0.246 4.898 4.640 0.021 0.000 0.230 298 D C -1.549 174.731 176.300 -0.033 0.000 1.118 298 D CA -2.782 51.203 54.000 -0.026 0.000 0.844 298 D CB 2.041 42.823 40.800 -0.030 0.000 1.059 298 D HN 0.001 nan 8.370 nan 0.000 0.493 299 P HA -0.092 nan 4.420 nan 0.000 0.223 299 P C 0.766 178.030 177.300 -0.061 0.000 1.151 299 P CA 0.658 63.731 63.100 -0.045 0.000 0.787 299 P CB 0.643 32.321 31.700 -0.036 0.000 0.788 300 E N 0.268 120.451 120.200 -0.028 0.000 2.107 300 E HA -0.061 4.301 4.350 0.021 0.000 0.191 300 E C 2.137 178.774 176.600 0.063 0.000 0.982 300 E CA 1.175 57.577 56.400 0.004 0.000 0.809 300 E CB -0.835 28.888 29.700 0.038 0.000 0.756 300 E HN 0.218 nan 8.360 nan 0.000 0.459 301 A N 1.755 124.599 122.820 0.041 0.000 1.855 301 A HA -0.012 4.321 4.320 0.021 0.000 0.215 301 A C 2.469 180.061 177.584 0.015 0.000 1.191 301 A CA 1.980 54.054 52.037 0.061 0.000 0.613 301 A CB -0.779 18.220 19.000 -0.002 0.000 0.829 301 A HN 0.254 nan 8.150 nan 0.000 0.442 302 A N 1.089 123.872 122.820 -0.063 0.000 1.948 302 A HA -0.245 4.088 4.320 0.021 0.000 0.220 302 A C 2.048 179.555 177.584 -0.129 0.000 1.177 302 A CA 2.279 54.254 52.037 -0.104 0.000 0.636 302 A CB -0.675 18.262 19.000 -0.104 0.000 0.815 302 A HN 0.749 nan 8.150 nan 0.000 0.449 303 K N -1.839 118.432 120.400 -0.215 0.000 2.360 303 K HA -0.123 4.209 4.320 0.021 0.000 0.201 303 K C 1.359 177.709 176.600 -0.417 0.000 1.046 303 K CA 1.694 57.779 56.287 -0.336 0.000 0.945 303 K CB -0.470 31.758 32.500 -0.454 0.000 0.750 303 K HN 0.578 nan 8.250 nan 0.000 0.464 304 Y N 1.013 121.268 120.300 -0.075 0.000 2.510 304 Y HA 0.148 4.711 4.550 0.021 0.000 0.273 304 Y C 0.436 176.282 175.900 -0.089 0.000 1.119 304 Y CA -0.629 57.416 58.100 -0.091 0.000 1.286 304 Y CB 0.872 39.253 38.460 -0.132 0.000 1.061 304 Y HN -0.198 nan 8.280 nan 0.000 0.542 305 V N 1.450 121.377 119.914 0.022 0.000 2.385 305 V HA -0.010 4.123 4.120 0.021 0.000 0.269 305 V C 1.066 177.168 176.094 0.014 0.000 1.043 305 V CA -0.307 61.986 62.300 -0.011 0.000 0.906 305 V CB 0.869 32.653 31.823 -0.064 0.000 0.995 305 V HN 0.415 nan 8.190 nan 0.000 0.467 306 H N 3.714 122.735 119.070 -0.081 0.000 2.482 306 H HA 0.229 4.798 4.556 0.021 0.000 0.286 306 H C 0.737 176.045 175.328 -0.034 0.000 1.017 306 H CA 0.991 57.004 56.048 -0.059 0.000 1.322 306 H CB 0.956 30.666 29.762 -0.086 0.000 1.426 306 H HN 0.755 nan 8.280 nan 0.000 0.546 307 G N -0.071 108.672 108.800 -0.096 0.000 2.441 307 G HA2 0.380 4.353 3.960 0.021 0.000 0.294 307 G HA3 0.380 4.353 3.960 0.021 0.000 0.294 307 G C -1.789 173.085 174.900 -0.042 0.000 1.393 307 G CA -0.727 44.317 45.100 -0.094 0.000 0.796 307 G HN 0.109 nan 8.290 nan 0.000 0.494 308 I N 1.042 121.621 120.570 0.014 0.000 2.418 308 I HA 0.585 4.768 4.170 0.021 0.000 0.287 308 I C 0.519 176.684 176.117 0.080 0.000 1.008 308 I CA -0.810 60.497 61.300 0.013 0.000 1.104 308 I CB 2.045 40.057 38.000 0.020 0.000 1.264 308 I HN 0.680 nan 8.210 nan 0.000 0.438 309 A N 6.793 129.635 122.820 0.037 0.000 2.289 309 A HA 0.718 5.051 4.320 0.021 0.000 0.298 309 A C -0.251 177.345 177.584 0.021 0.000 1.208 309 A CA -0.447 51.655 52.037 0.109 0.000 0.845 309 A CB 0.674 19.710 19.000 0.060 0.000 1.125 309 A HN 0.620 nan 8.150 nan 0.000 0.517 310 V N 1.067 121.030 119.914 0.082 0.000 2.769 310 V HA 0.606 4.739 4.120 0.021 0.000 0.312 310 V C -0.346 175.826 176.094 0.129 0.000 1.061 310 V CA -0.779 61.536 62.300 0.025 0.000 0.931 310 V CB 1.231 33.075 31.823 0.035 0.000 1.010 310 V HN 0.907 nan 8.190 nan 0.000 0.433 311 H N 2.588 121.556 119.070 -0.171 0.000 2.502 311 H HA 0.388 4.957 4.556 0.022 0.000 0.338 311 H C -1.408 173.834 175.328 -0.143 0.000 1.155 311 H CA -0.653 55.254 56.048 -0.234 0.000 1.237 311 H CB 2.020 31.600 29.762 -0.303 0.000 1.534 311 H HN 0.745 nan 8.280 nan 0.000 0.523 312 W N 3.829 124.937 121.300 -0.320 0.000 2.521 312 W HA 0.168 4.842 4.660 0.022 0.000 0.310 312 W C -1.619 174.742 176.519 -0.264 0.000 1.000 312 W CA -0.786 56.441 57.345 -0.196 0.000 1.353 312 W CB 0.652 30.006 29.460 -0.177 0.000 1.276 312 W HN 0.666 nan 8.180 nan 0.000 0.417 313 Y N 4.877 125.243 120.300 0.110 0.000 2.539 313 Y HA 0.036 4.599 4.550 0.021 0.000 0.352 313 Y C 1.596 177.675 175.900 0.298 0.000 1.004 313 Y CA 0.151 58.364 58.100 0.189 0.000 1.278 313 Y CB 0.739 39.285 38.460 0.143 0.000 1.136 313 Y HN 0.246 nan 8.280 nan 0.000 0.528 314 L N 1.911 123.341 121.223 0.346 0.000 2.353 314 L HA -0.160 4.193 4.340 0.021 0.000 0.220 314 L C 0.761 177.760 176.870 0.215 0.000 1.133 314 L CA 0.950 55.963 54.840 0.289 0.000 0.798 314 L CB -0.090 42.028 42.059 0.099 0.000 0.922 314 L HN 0.640 nan 8.230 nan 0.000 0.445 315 D N -0.662 119.853 120.400 0.192 0.000 2.328 315 D HA 0.146 4.799 4.640 0.021 0.000 0.221 315 D C -0.027 176.100 176.300 -0.288 0.000 1.072 315 D CA 0.480 54.427 54.000 -0.088 0.000 0.850 315 D CB 0.251 40.877 40.800 -0.290 0.000 0.922 315 D HN 0.095 nan 8.370 nan 0.000 0.516 316 F N -0.110 119.896 119.950 0.093 0.000 2.588 316 F HA 0.414 4.954 4.527 0.022 0.000 0.314 316 F C 0.124 175.949 175.800 0.042 0.000 1.069 316 F CA -1.045 56.992 58.000 0.062 0.000 0.931 316 F CB 1.643 40.667 39.000 0.041 0.000 1.260 316 F HN -0.397 nan 8.300 nan 0.000 0.465 317 L N 2.044 123.402 121.223 0.225 0.000 2.360 317 L HA 0.879 5.232 4.340 0.021 0.000 0.271 317 L C -0.440 176.453 176.870 0.039 0.000 1.057 317 L CA -0.869 54.039 54.840 0.113 0.000 0.803 317 L CB 1.559 43.675 42.059 0.094 0.000 1.207 317 L HN 0.742 nan 8.230 nan 0.000 0.445 318 A N 2.525 125.321 122.820 -0.040 0.000 2.491 318 A HA 0.661 4.994 4.320 0.021 0.000 0.293 318 A C -2.706 174.808 177.584 -0.117 0.000 1.047 318 A CA -0.998 50.973 52.037 -0.110 0.000 0.735 318 A CB 1.180 20.040 19.000 -0.233 0.000 1.281 318 A HN 0.450 nan 8.150 nan 0.000 0.398 319 P HA 0.361 nan 4.420 nan 0.000 0.276 319 P C 0.825 178.014 177.300 -0.185 0.000 1.253 319 P CA 0.301 63.344 63.100 -0.095 0.000 0.766 319 P CB 1.471 33.140 31.700 -0.052 0.000 0.845 320 A N 4.585 127.229 122.820 -0.293 0.000 1.930 320 A HA -0.174 4.158 4.320 0.021 0.000 0.217 320 A C 2.185 179.427 177.584 -0.569 0.000 1.175 320 A CA 1.380 53.102 52.037 -0.525 0.000 0.627 320 A CB -0.713 17.776 19.000 -0.852 0.000 0.815 320 A HN 0.565 nan 8.150 nan 0.000 0.443 321 K N -0.273 119.859 120.400 -0.446 0.000 2.026 321 K HA -0.085 4.247 4.320 0.021 0.000 0.208 321 K C 2.062 178.656 176.600 -0.010 0.000 1.048 321 K CA 1.228 57.454 56.287 -0.103 0.000 0.929 321 K CB -0.300 32.246 32.500 0.077 0.000 0.713 321 K HN 0.367 nan 8.250 nan 0.000 0.439 322 A N 0.440 123.242 122.820 -0.030 0.000 2.121 322 A HA -0.095 4.238 4.320 0.021 0.000 0.218 322 A C 1.872 179.460 177.584 0.008 0.000 1.154 322 A CA 1.896 53.935 52.037 0.004 0.000 0.679 322 A CB -0.494 18.504 19.000 -0.003 0.000 0.795 322 A HN 0.654 nan 8.150 nan 0.000 0.458 323 T N -2.401 112.137 114.554 -0.027 0.000 3.395 323 T HA 0.179 4.541 4.350 0.021 0.000 0.230 323 T C 1.781 176.505 174.700 0.040 0.000 0.958 323 T CA 0.671 62.761 62.100 -0.017 0.000 1.377 323 T CB -0.719 68.093 68.868 -0.094 0.000 1.124 323 T HN 0.137 nan 8.240 nan 0.000 0.425 324 L N 1.415 122.658 121.223 0.033 0.000 2.056 324 L HA 0.202 4.555 4.340 0.021 0.000 0.207 324 L C 3.164 180.197 176.870 0.272 0.000 1.078 324 L CA 1.436 56.374 54.840 0.163 0.000 0.749 324 L CB -1.209 40.974 42.059 0.207 0.000 0.901 324 L HN 0.565 nan 8.230 nan 0.000 0.433 325 G N 0.008 108.971 108.800 0.272 0.000 2.433 325 G HA2 -0.325 3.648 3.960 0.021 0.000 0.216 325 G HA3 -0.325 3.648 3.960 0.021 0.000 0.216 325 G C 1.490 176.540 174.900 0.250 0.000 1.186 325 G CA 0.983 46.319 45.100 0.394 0.000 0.779 325 G HN 0.335 nan 8.290 nan 0.000 0.543 326 E N 0.336 120.632 120.200 0.161 0.000 2.110 326 E HA -0.071 4.292 4.350 0.021 0.000 0.193 326 E C 2.610 179.264 176.600 0.090 0.000 0.988 326 E CA 1.676 58.138 56.400 0.104 0.000 0.804 326 E CB -0.641 29.105 29.700 0.076 0.000 0.745 326 E HN 0.319 nan 8.360 nan 0.000 0.458 327 T N -0.720 113.920 114.554 0.143 0.000 2.746 327 T HA -0.184 4.178 4.350 0.021 0.000 0.267 327 T C 1.518 176.320 174.700 0.170 0.000 1.039 327 T CA 1.620 63.838 62.100 0.196 0.000 1.142 327 T CB -0.579 68.420 68.868 0.218 0.000 0.866 327 T HN 0.432 nan 8.240 nan 0.000 0.444 328 H N 1.296 120.390 119.070 0.040 0.000 2.321 328 H HA 0.026 4.595 4.556 0.022 0.000 0.300 328 H C 2.497 177.760 175.328 -0.108 0.000 1.087 328 H CA 1.854 57.848 56.048 -0.089 0.000 1.319 328 H CB -0.105 29.393 29.762 -0.440 0.000 1.379 328 H HN 0.180 nan 8.280 nan 0.000 0.501 329 R N 0.090 120.549 120.500 -0.068 0.000 2.091 329 R HA -0.127 4.225 4.340 0.021 0.000 0.238 329 R C 2.095 178.245 176.300 -0.251 0.000 1.136 329 R CA 1.886 57.911 56.100 -0.124 0.000 0.959 329 R CB -0.275 30.017 30.300 -0.013 0.000 0.856 329 R HN 0.431 nan 8.270 nan 0.000 0.437 330 L N -0.730 120.294 121.223 -0.330 0.000 2.156 330 L HA 0.005 4.357 4.340 0.021 0.000 0.208 330 L C 0.398 176.650 176.870 -1.030 0.000 1.095 330 L CA 0.818 55.221 54.840 -0.728 0.000 0.770 330 L CB 0.142 41.632 42.059 -0.949 0.000 0.914 330 L HN 0.091 nan 8.230 nan 0.000 0.439 331 F N -0.762 119.115 119.950 -0.122 0.000 2.710 331 F HA 0.293 4.833 4.527 0.021 0.000 0.345 331 F C -1.685 173.986 175.800 -0.216 0.000 1.362 331 F CA -1.492 56.434 58.000 -0.124 0.000 1.175 331 F CB 0.553 39.512 39.000 -0.068 0.000 1.561 331 F HN -0.181 nan 8.300 nan 0.000 0.593 332 P HA -0.116 nan 4.420 nan 0.000 0.225 332 P C 0.264 177.482 177.300 -0.137 0.000 1.148 332 P CA 1.310 64.156 63.100 -0.422 0.000 0.779 332 P CB 0.316 31.816 31.700 -0.334 0.000 0.780 333 N N -1.029 117.656 118.700 -0.025 0.000 2.238 333 N HA 0.058 4.811 4.740 0.021 0.000 0.222 333 N C -0.221 175.289 175.510 -0.001 0.000 1.133 333 N CA 0.262 53.317 53.050 0.008 0.000 0.854 333 N CB 0.365 38.859 38.487 0.011 0.000 1.041 333 N HN 0.014 nan 8.380 nan 0.000 0.510 334 T N 2.642 117.207 114.554 0.018 0.000 2.874 334 T HA 0.272 4.635 4.350 0.021 0.000 0.321 334 T C 0.564 175.271 174.700 0.012 0.000 1.075 334 T CA -0.741 61.342 62.100 -0.029 0.000 0.966 334 T CB 0.580 69.428 68.868 -0.033 0.000 1.001 334 T HN 0.141 nan 8.240 nan 0.000 0.476 335 M N 3.484 123.059 119.600 -0.040 0.000 2.248 335 M HA 0.253 4.745 4.480 0.021 0.000 0.343 335 M C -0.837 175.542 176.300 0.133 0.000 1.243 335 M CA 0.403 55.746 55.300 0.070 0.000 1.025 335 M CB -0.377 32.259 32.600 0.061 0.000 1.759 335 M HN 0.353 nan 8.290 nan 0.000 0.452 336 L N 4.668 126.017 121.223 0.210 0.000 2.276 336 L HA 0.609 4.962 4.340 0.021 0.000 0.286 336 L C -0.919 176.127 176.870 0.292 0.000 1.061 336 L CA -0.172 54.808 54.840 0.234 0.000 0.807 336 L CB 0.636 42.844 42.059 0.249 0.000 1.177 336 L HN 0.835 nan 8.230 nan 0.000 0.429 337 F N 2.897 122.912 119.950 0.110 0.000 2.578 337 F HA 0.715 5.256 4.527 0.022 0.000 0.311 337 F C -0.503 175.331 175.800 0.057 0.000 1.094 337 F CA -0.672 57.387 58.000 0.099 0.000 0.923 337 F CB 1.640 40.727 39.000 0.145 0.000 1.230 337 F HN 0.391 nan 8.300 nan 0.000 0.450 338 A N 2.904 125.351 122.820 -0.622 0.000 2.249 338 A HA 0.490 4.823 4.320 0.021 0.000 0.314 338 A C 0.144 177.361 177.584 -0.610 0.000 1.290 338 A CA 0.125 51.881 52.037 -0.468 0.000 0.893 338 A CB 0.345 18.973 19.000 -0.619 0.000 1.165 338 A HN 0.961 nan 8.150 nan 0.000 0.530 339 S N 1.123 116.731 115.700 -0.153 0.000 2.524 339 S HA 0.296 4.778 4.470 0.021 0.000 0.215 339 S C 0.204 174.652 174.600 -0.253 0.000 0.986 339 S CA 0.239 58.476 58.200 0.062 0.000 0.911 339 S CB 0.092 63.459 63.200 0.278 0.000 0.805 339 S HN 0.796 nan 8.310 nan 0.000 0.501 340 E N -0.269 119.592 120.200 -0.565 0.000 2.481 340 E HA 0.571 4.934 4.350 0.021 0.000 0.301 340 E C -1.940 174.194 176.600 -0.777 0.000 0.948 340 E CA -0.406 55.535 56.400 -0.764 0.000 0.804 340 E CB 1.623 30.518 29.700 -1.342 0.000 1.265 340 E HN 0.339 nan 8.360 nan 0.000 0.406 341 A N 2.350 124.780 122.820 -0.650 0.000 2.475 341 A HA 0.883 5.216 4.320 0.021 0.000 0.301 341 A C -0.849 176.605 177.584 -0.217 0.000 1.059 341 A CA -0.424 51.300 52.037 -0.522 0.000 0.710 341 A CB 1.033 19.578 19.000 -0.759 0.000 1.288 341 A HN 0.891 nan 8.150 nan 0.000 0.408 342 C N 0.208 119.411 119.300 -0.162 0.000 3.288 342 C HA 0.923 5.396 4.460 0.021 0.000 0.318 342 C C -0.581 174.484 174.990 0.125 0.000 1.356 342 C CA -0.192 58.875 59.018 0.081 0.000 1.359 342 C CB 0.748 28.602 27.740 0.190 0.000 1.688 342 C HN 1.751 nan 8.230 nan 0.000 0.467 343 V N -0.607 119.425 119.914 0.196 0.000 2.960 343 V HA 1.002 5.135 4.120 0.021 0.000 0.315 343 V C 0.762 176.944 176.094 0.146 0.000 1.087 343 V CA 0.158 62.555 62.300 0.162 0.000 0.982 343 V CB 0.857 32.756 31.823 0.128 0.000 1.039 343 V HN 2.825 nan 8.190 nan 0.000 0.437 344 G N 1.561 110.397 108.800 0.061 0.000 2.131 344 G HA2 -0.198 3.775 3.960 0.021 0.000 0.223 344 G HA3 -0.198 3.775 3.960 0.021 0.000 0.223 344 G C 0.670 175.591 174.900 0.035 0.000 0.990 344 G CA 0.849 45.946 45.100 -0.004 0.000 0.671 344 G HN 1.901 nan 8.290 nan 0.000 0.521 345 S N -0.987 114.779 115.700 0.110 0.000 2.524 345 S HA 0.311 4.794 4.470 0.021 0.000 0.216 345 S C 1.040 175.684 174.600 0.073 0.000 0.987 345 S CA 0.620 58.922 58.200 0.171 0.000 0.909 345 S CB 0.522 63.929 63.200 0.345 0.000 0.781 345 S HN 0.525 nan 8.310 nan 0.000 0.521 346 K N 1.149 121.461 120.400 -0.146 0.000 2.380 346 K HA 0.126 4.459 4.320 0.021 0.000 0.267 346 K C 1.024 177.401 176.600 -0.372 0.000 0.990 346 K CA 0.026 56.109 56.287 -0.340 0.000 0.946 346 K CB 0.251 32.240 32.500 -0.851 0.000 0.937 346 K HN 0.378 nan 8.250 nan 0.000 0.491 347 F N 2.184 122.043 119.950 -0.152 0.000 2.161 347 F HA -0.182 4.358 4.527 0.022 0.000 0.300 347 F C 1.530 177.340 175.800 0.016 0.000 1.089 347 F CA 0.737 58.726 58.000 -0.020 0.000 1.282 347 F CB -0.498 38.548 39.000 0.077 0.000 1.010 347 F HN 0.642 nan 8.300 nan 0.000 0.485 348 W N 2.339 123.314 121.300 -0.540 0.000 3.278 348 W HA 0.352 5.024 4.660 0.020 0.000 0.308 348 W C -0.520 175.910 176.519 -0.147 0.000 1.253 348 W CA -0.319 56.847 57.345 -0.298 0.000 1.759 348 W CB -0.877 28.291 29.460 -0.487 0.000 1.093 348 W HN 0.144 nan 8.180 nan 0.000 0.648 349 E N 2.181 122.038 120.200 -0.572 0.000 2.250 349 E HA 0.199 4.562 4.350 0.021 0.000 0.265 349 E C -0.226 176.319 176.600 -0.091 0.000 1.033 349 E CA -0.768 55.391 56.400 -0.402 0.000 0.888 349 E CB 0.941 30.201 29.700 -0.733 0.000 1.151 349 E HN 0.076 nan 8.360 nan 0.000 0.412 350 Q N 0.718 120.519 119.800 0.000 0.000 2.327 350 Q HA 0.128 4.481 4.340 0.021 0.000 0.254 350 Q C 0.639 176.639 176.000 0.000 0.000 0.952 350 Q CA -0.241 55.583 55.803 0.034 0.000 0.884 350 Q CB 1.013 29.788 28.738 0.061 0.000 1.224 350 Q HN 0.477 nan 8.270 nan 0.000 0.422 351 S N 0.825 116.554 115.700 0.048 0.000 2.353 351 S HA -0.079 4.404 4.470 0.021 0.000 0.222 351 S C 0.832 175.448 174.600 0.026 0.000 1.035 351 S CA 0.847 59.095 58.200 0.079 0.000 1.025 351 S CB 0.196 63.492 63.200 0.160 0.000 0.902 351 S HN 0.459 nan 8.310 nan 0.000 0.440 352 V N 1.738 121.638 119.914 -0.023 0.000 2.495 352 V HA 0.461 4.594 4.120 0.021 0.000 0.298 352 V C -0.257 175.725 176.094 -0.187 0.000 1.031 352 V CA -0.645 61.607 62.300 -0.079 0.000 0.871 352 V CB 1.679 33.457 31.823 -0.075 0.000 0.988 352 V HN 0.199 nan 8.190 nan 0.000 0.432 353 R N 4.524 124.831 120.500 -0.321 0.000 2.443 353 R HA 0.446 4.799 4.340 0.021 0.000 0.287 353 R C -0.996 174.905 176.300 -0.665 0.000 1.425 353 R CA -0.568 55.049 56.100 -0.806 0.000 1.300 353 R CB 1.227 31.061 30.300 -0.776 0.000 1.129 353 R HN 0.604 nan 8.270 nan 0.000 0.577 354 L N 1.877 122.836 121.223 -0.439 0.000 2.534 354 L HA 0.025 4.378 4.340 0.021 0.000 0.271 354 L C 1.262 178.152 176.870 0.033 0.000 1.178 354 L CA 1.026 55.732 54.840 -0.223 0.000 0.907 354 L CB 0.576 42.322 42.059 -0.522 0.000 1.164 354 L HN 1.003 nan 8.230 nan 0.000 0.482 355 G N 2.226 111.071 108.800 0.075 0.000 2.157 355 G HA2 -0.277 3.696 3.960 0.021 0.000 0.239 355 G HA3 -0.277 3.696 3.960 0.021 0.000 0.239 355 G C 0.416 175.452 174.900 0.227 0.000 0.982 355 G CA 0.239 45.467 45.100 0.213 0.000 0.650 355 G HN 0.654 nan 8.290 nan 0.000 0.527 356 S N 0.080 115.840 115.700 0.099 0.000 2.506 356 S HA 0.215 4.698 4.470 0.021 0.000 0.291 356 S C 1.249 175.957 174.600 0.180 0.000 1.230 356 S CA 0.514 58.779 58.200 0.109 0.000 1.107 356 S CB -0.148 63.023 63.200 -0.047 0.000 0.942 356 S HN 0.454 nan 8.310 nan 0.000 0.502 357 W N 4.566 125.896 121.300 0.050 0.000 2.436 357 W HA -0.111 4.565 4.660 0.027 0.000 0.284 357 W C 1.304 177.802 176.519 -0.035 0.000 1.225 357 W CA 1.344 58.709 57.345 0.035 0.000 1.271 357 W CB -0.366 29.114 29.460 0.033 0.000 1.114 357 W HN 0.852 nan 8.180 nan 0.000 0.559 358 D N 0.069 120.501 120.400 0.054 0.000 2.116 358 D HA -0.226 4.427 4.640 0.021 0.000 0.193 358 D C 2.276 178.504 176.300 -0.120 0.000 0.998 358 D CA 2.038 56.015 54.000 -0.038 0.000 0.836 358 D CB -0.081 40.734 40.800 0.026 0.000 0.951 358 D HN 0.043 nan 8.370 nan 0.000 0.449 359 R N -0.582 119.868 120.500 -0.083 0.000 2.115 359 R HA 0.033 4.386 4.340 0.021 0.000 0.226 359 R C 2.446 178.679 176.300 -0.112 0.000 1.100 359 R CA 0.957 57.033 56.100 -0.039 0.000 0.980 359 R CB -0.380 29.932 30.300 0.021 0.000 0.875 359 R HN 0.207 nan 8.270 nan 0.000 0.445 360 G N 1.296 109.867 108.800 -0.382 0.000 2.446 360 G HA2 -0.282 3.691 3.960 0.021 0.000 0.217 360 G HA3 -0.282 3.691 3.960 0.021 0.000 0.217 360 G C 1.443 175.635 174.900 -1.179 0.000 1.168 360 G CA 0.801 45.353 45.100 -0.914 0.000 0.771 360 G HN 0.168 nan 8.290 nan 0.000 0.551 361 M N -0.223 118.816 119.600 -0.934 0.000 2.229 361 M HA -0.050 4.443 4.480 0.021 0.000 0.264 361 M C 2.686 178.897 176.300 -0.147 0.000 1.063 361 M CA 1.099 56.120 55.300 -0.465 0.000 1.114 361 M CB -0.317 32.133 32.600 -0.251 0.000 1.387 361 M HN 0.280 nan 8.290 nan 0.000 0.420 362 Q N -0.549 119.187 119.800 -0.105 0.000 2.079 362 Q HA -0.172 4.181 4.340 0.021 0.000 0.200 362 Q C 1.823 177.834 176.000 0.019 0.000 0.974 362 Q CA 1.589 57.403 55.803 0.018 0.000 0.840 362 Q CB -0.086 28.670 28.738 0.030 0.000 0.898 362 Q HN 0.481 nan 8.270 nan 0.000 0.430 363 Y N 0.424 120.650 120.300 -0.123 0.000 2.114 363 Y HA -0.279 4.283 4.550 0.021 0.000 0.284 363 Y C 2.857 178.573 175.900 -0.306 0.000 1.143 363 Y CA 1.819 59.812 58.100 -0.179 0.000 1.135 363 Y CB -0.266 38.103 38.460 -0.151 0.000 0.980 363 Y HN 0.191 nan 8.280 nan 0.000 0.499 364 S N -1.195 114.529 115.700 0.040 0.000 2.383 364 S HA -0.261 4.222 4.470 0.021 0.000 0.227 364 S C 1.992 176.585 174.600 -0.013 0.000 1.026 364 S CA 1.390 59.645 58.200 0.092 0.000 0.981 364 S CB -0.931 62.542 63.200 0.455 0.000 0.818 364 S HN 0.619 nan 8.310 nan 0.000 0.472 365 H N 1.844 120.893 119.070 -0.034 0.000 2.319 365 H HA -0.095 4.473 4.556 0.021 0.000 0.299 365 H C 2.381 177.660 175.328 -0.081 0.000 1.092 365 H CA 1.960 58.001 56.048 -0.012 0.000 1.302 365 H CB -0.396 29.383 29.762 0.027 0.000 1.373 365 H HN 0.597 nan 8.280 nan 0.000 0.497 366 S N 0.061 115.626 115.700 -0.225 0.000 2.414 366 S HA -0.027 4.455 4.470 0.021 0.000 0.227 366 S C 2.362 176.526 174.600 -0.727 0.000 1.022 366 S CA 0.729 58.710 58.200 -0.364 0.000 0.958 366 S CB -0.426 62.677 63.200 -0.163 0.000 0.797 366 S HN 0.456 nan 8.310 nan 0.000 0.493 367 I N 0.942 120.948 120.570 -0.940 0.000 2.286 367 I HA -0.108 4.075 4.170 0.021 0.000 0.248 367 I C 2.228 177.881 176.117 -0.772 0.000 1.115 367 I CA 1.176 61.748 61.300 -1.214 0.000 1.392 367 I CB -0.317 36.623 38.000 -1.767 0.000 1.065 367 I HN 0.326 nan 8.210 nan 0.000 0.418 368 I N 0.233 120.492 120.570 -0.518 0.000 2.353 368 I HA -0.235 3.948 4.170 0.021 0.000 0.248 368 I C 2.464 178.477 176.117 -0.173 0.000 1.119 368 I CA 1.345 62.512 61.300 -0.222 0.000 1.417 368 I CB -0.338 37.642 38.000 -0.034 0.000 1.078 368 I HN 0.189 nan 8.210 nan 0.000 0.421 369 T N -0.422 114.012 114.554 -0.200 0.000 2.788 369 T HA -0.168 4.195 4.350 0.021 0.000 0.268 369 T C 2.142 176.919 174.700 0.127 0.000 1.044 369 T CA 1.623 63.730 62.100 0.013 0.000 1.139 369 T CB -0.175 68.715 68.868 0.037 0.000 0.867 369 T HN 0.231 nan 8.240 nan 0.000 0.454 370 S N 0.985 116.639 115.700 -0.076 0.000 2.359 370 S HA 0.009 4.492 4.470 0.021 0.000 0.224 370 S C 1.889 176.497 174.600 0.012 0.000 1.035 370 S CA 0.990 59.182 58.200 -0.013 0.000 1.018 370 S CB -0.358 62.705 63.200 -0.229 0.000 0.876 370 S HN 0.384 nan 8.310 nan 0.000 0.448 371 L N 0.717 121.890 121.223 -0.083 0.000 2.313 371 L HA 0.122 4.475 4.340 0.021 0.000 0.214 371 L C 1.712 178.468 176.870 -0.190 0.000 1.119 371 L CA 0.474 55.263 54.840 -0.085 0.000 0.809 371 L CB -0.238 41.792 42.059 -0.049 0.000 0.933 371 L HN 0.266 nan 8.230 nan 0.000 0.449 372 L N -1.513 119.584 121.223 -0.210 0.000 2.554 372 L HA -0.078 4.275 4.340 0.021 0.000 0.226 372 L C 0.415 176.796 176.870 -0.815 0.000 1.137 372 L CA 0.682 55.242 54.840 -0.467 0.000 0.863 372 L CB 0.051 41.887 42.059 -0.372 0.000 0.985 372 L HN 0.268 nan 8.230 nan 0.000 0.451 373 Y N -1.288 118.813 120.300 -0.333 0.000 2.629 373 Y HA 0.241 4.804 4.550 0.021 0.000 0.282 373 Y C 0.401 176.166 175.900 -0.224 0.000 0.994 373 Y CA -0.669 57.214 58.100 -0.362 0.000 1.126 373 Y CB -0.143 38.309 38.460 -0.014 0.000 1.187 373 Y HN 0.150 nan 8.280 nan 0.000 0.600 374 H N -3.144 115.914 119.070 -0.020 0.000 3.636 374 H HA -0.150 4.419 4.556 0.022 0.000 0.179 374 H C 0.247 175.619 175.328 0.074 0.000 0.968 374 H CA 0.604 56.631 56.048 -0.035 0.000 1.220 374 H CB -1.575 28.092 29.762 -0.158 0.000 1.023 374 H HN 0.101 nan 8.280 nan 0.000 0.366 375 V N 2.845 122.862 119.914 0.172 0.000 2.673 375 V HA 0.041 4.173 4.120 0.021 0.000 0.303 375 V C 2.022 178.168 176.094 0.087 0.000 1.046 375 V CA 0.842 63.231 62.300 0.148 0.000 1.126 375 V CB 1.505 33.415 31.823 0.145 0.000 0.934 375 V HN 0.358 nan 8.190 nan 0.000 0.487 376 V N 1.199 121.172 119.914 0.099 0.000 3.644 376 V HA 0.658 4.791 4.120 0.021 0.000 0.267 376 V C 0.686 176.748 176.094 -0.052 0.000 1.277 376 V CA 0.906 63.257 62.300 0.085 0.000 1.096 376 V CB -0.003 31.937 31.823 0.194 0.000 0.828 376 V HN 0.965 nan 8.190 nan 0.000 0.446 377 G N -1.494 107.156 108.800 -0.250 0.000 2.660 377 G HA2 0.500 4.473 3.960 0.021 0.000 0.290 377 G HA3 0.500 4.473 3.960 0.021 0.000 0.290 377 G C -2.690 171.729 174.900 -0.801 0.000 1.432 377 G CA -0.722 44.008 45.100 -0.616 0.000 0.807 377 G HN 0.233 nan 8.290 nan 0.000 0.485 378 W N 0.924 121.658 121.300 -0.944 0.000 2.968 378 W HA 0.597 5.272 4.660 0.025 0.000 0.337 378 W C -0.611 175.656 176.519 -0.419 0.000 1.060 378 W CA -0.319 56.649 57.345 -0.628 0.000 1.240 378 W CB 2.341 31.600 29.460 -0.335 0.000 1.370 378 W HN 0.555 nan 8.180 nan 0.000 0.459 379 T N 3.858 118.092 114.554 -0.532 0.000 2.792 379 T HA 0.184 4.547 4.350 0.021 0.000 0.280 379 T C -0.599 173.900 174.700 -0.335 0.000 0.990 379 T CA -0.529 61.419 62.100 -0.253 0.000 0.960 379 T CB 1.609 70.454 68.868 -0.040 0.000 0.939 379 T HN 0.277 nan 8.240 nan 0.000 0.439 380 D N 0.765 121.127 120.400 -0.062 0.000 2.384 380 D HA 0.213 4.866 4.640 0.021 0.000 0.244 380 D C 0.132 176.524 176.300 0.153 0.000 1.251 380 D CA -0.492 53.559 54.000 0.083 0.000 0.961 380 D CB 0.840 41.793 40.800 0.255 0.000 1.116 380 D HN 0.531 nan 8.370 nan 0.000 0.484 381 W N 0.594 121.846 121.300 -0.079 0.000 1.763 381 W HA 0.139 4.812 4.660 0.021 0.000 0.619 381 W C 0.260 176.723 176.519 -0.093 0.000 1.755 381 W CA -0.802 56.474 57.345 -0.115 0.000 1.933 381 W CB 0.148 29.513 29.460 -0.158 0.000 3.002 381 W HN 0.245 nan 8.180 nan 0.000 0.782 382 N N 2.561 120.881 118.700 -0.634 0.000 2.131 382 N HA -0.177 4.576 4.740 0.021 0.000 0.276 382 N C 0.716 176.107 175.510 -0.198 0.000 1.295 382 N CA 0.685 53.383 53.050 -0.587 0.000 0.818 382 N CB 0.624 38.605 38.487 -0.842 0.000 1.049 382 N HN 0.332 nan 8.380 nan 0.000 0.484 383 L N 1.276 122.427 121.223 -0.119 0.000 2.156 383 L HA -0.012 4.341 4.340 0.021 0.000 0.208 383 L C 1.049 177.990 176.870 0.118 0.000 1.095 383 L CA 0.867 55.705 54.840 -0.004 0.000 0.770 383 L CB -0.051 41.993 42.059 -0.025 0.000 0.914 383 L HN 0.634 nan 8.230 nan 0.000 0.439 384 A N -0.757 122.069 122.820 0.010 0.000 2.574 384 A HA 0.759 5.092 4.320 0.021 0.000 0.297 384 A C -1.159 176.400 177.584 -0.042 0.000 1.062 384 A CA -0.449 51.592 52.037 0.008 0.000 0.686 384 A CB 1.447 20.446 19.000 -0.002 0.000 1.285 384 A HN -0.016 nan 8.150 nan 0.000 0.403 385 L N 0.804 122.018 121.223 -0.015 0.000 2.322 385 L HA 0.518 4.871 4.340 0.021 0.000 0.252 385 L C -0.124 176.753 176.870 0.012 0.000 1.055 385 L CA -1.220 53.622 54.840 0.003 0.000 0.849 385 L CB 2.229 44.299 42.059 0.017 0.000 1.446 385 L HN 0.982 nan 8.230 nan 0.000 0.416 386 N N -0.667 118.040 118.700 0.013 0.000 2.447 386 N HA 0.357 5.110 4.740 0.021 0.000 0.271 386 N C -2.445 173.045 175.510 -0.033 0.000 1.226 386 N CA -1.765 51.281 53.050 -0.008 0.000 0.980 386 N CB -0.087 38.392 38.487 -0.013 0.000 1.206 386 N HN 0.142 nan 8.380 nan 0.000 0.558 387 P HA -0.062 nan 4.420 nan 0.000 0.225 387 P C 0.608 177.838 177.300 -0.117 0.000 1.148 387 P CA 1.050 64.119 63.100 -0.053 0.000 0.779 387 P CB 0.174 31.862 31.700 -0.020 0.000 0.780 388 E N -0.635 119.445 120.200 -0.199 0.000 2.358 388 E HA 0.043 4.406 4.350 0.021 0.000 0.195 388 E C 0.831 177.162 176.600 -0.449 0.000 1.010 388 E CA 0.530 56.683 56.400 -0.412 0.000 0.856 388 E CB -0.448 28.861 29.700 -0.651 0.000 0.795 388 E HN 0.139 nan 8.360 nan 0.000 0.504 389 G N 0.004 108.694 108.800 -0.182 0.000 2.165 389 G HA2 -0.174 3.799 3.960 0.021 0.000 0.226 389 G HA3 -0.174 3.799 3.960 0.021 0.000 0.226 389 G C 0.090 175.163 174.900 0.289 0.000 1.035 389 G CA 0.005 45.133 45.100 0.046 0.000 0.744 389 G HN 0.553 nan 8.290 nan 0.000 0.501 390 G N -0.902 107.993 108.800 0.157 0.000 2.975 390 G HA2 0.889 4.862 3.960 0.021 0.000 0.291 390 G HA3 0.889 4.862 3.960 0.021 0.000 0.291 390 G C -3.028 172.000 174.900 0.214 0.000 1.334 390 G CA -0.596 44.709 45.100 0.343 0.000 0.843 390 G HN 0.226 nan 8.290 nan 0.000 0.548 391 P HA 0.205 nan 4.420 nan 0.000 0.276 391 P C -1.107 176.297 177.300 0.174 0.000 1.244 391 P CA -0.341 62.898 63.100 0.231 0.000 0.801 391 P CB 1.372 33.161 31.700 0.148 0.000 1.006 392 N N 1.781 120.521 118.700 0.066 0.000 2.503 392 N HA 0.054 4.807 4.740 0.021 0.000 0.287 392 N C 0.764 176.096 175.510 -0.296 0.000 1.096 392 N CA -0.578 52.248 53.050 -0.373 0.000 0.936 392 N CB 1.106 39.089 38.487 -0.841 0.000 1.570 392 N HN 0.562 nan 8.380 nan 0.000 0.504 393 W N 4.264 125.386 121.300 -0.298 0.000 2.699 393 W HA 0.078 4.751 4.660 0.021 0.000 0.249 393 W C 0.228 176.628 176.519 -0.198 0.000 1.280 393 W CA 0.484 57.718 57.345 -0.186 0.000 1.345 393 W CB -0.511 28.876 29.460 -0.122 0.000 1.128 393 W HN 0.237 nan 8.180 nan 0.000 0.642 394 V N -1.040 118.270 119.914 -1.006 0.000 3.214 394 V HA 0.423 4.556 4.120 0.021 0.000 0.330 394 V C 1.008 176.702 176.094 -0.666 0.000 1.403 394 V CA -0.580 61.216 62.300 -0.839 0.000 1.143 394 V CB -0.792 30.459 31.823 -0.955 0.000 1.098 394 V HN 0.188 nan 8.190 nan 0.000 0.463 395 R N 0.142 120.169 120.500 -0.789 0.000 3.770 395 R HA -0.204 4.149 4.340 0.021 0.000 0.305 395 R C 0.362 175.891 176.300 -1.286 0.000 1.184 395 R CA 1.003 56.369 56.100 -1.224 0.000 0.823 395 R CB -2.290 27.647 30.300 -0.605 0.000 1.285 395 R HN 0.661 nan 8.270 nan 0.000 0.499 396 N N 1.216 119.321 118.700 -0.991 0.000 3.303 396 N HA 0.106 4.859 4.740 0.021 0.000 0.304 396 N C -0.487 174.820 175.510 -0.338 0.000 1.302 396 N CA 0.005 52.707 53.050 -0.580 0.000 1.213 396 N CB -0.074 38.134 38.487 -0.465 0.000 1.481 396 N HN 0.162 nan 8.380 nan 0.000 0.546 397 F N 0.111 120.044 119.950 -0.028 0.000 2.471 397 F HA 0.209 4.748 4.527 0.021 0.000 0.353 397 F C 1.172 177.100 175.800 0.214 0.000 1.113 397 F CA -0.560 57.504 58.000 0.107 0.000 1.262 397 F CB 0.565 39.602 39.000 0.061 0.000 1.146 397 F HN -0.043 nan 8.300 nan 0.000 0.578 398 V N -1.276 118.958 119.914 0.533 0.000 3.156 398 V HA 0.520 4.653 4.120 0.021 0.000 0.310 398 V C -0.847 175.382 176.094 0.224 0.000 1.234 398 V CA -1.088 61.420 62.300 0.347 0.000 1.065 398 V CB 1.778 33.834 31.823 0.388 0.000 1.088 398 V HN 0.576 nan 8.190 nan 0.000 0.451 399 D N 0.377 120.874 120.400 0.162 0.000 2.358 399 D HA 0.606 5.259 4.640 0.021 0.000 0.244 399 D C -0.414 175.948 176.300 0.104 0.000 1.163 399 D CA 0.491 54.555 54.000 0.107 0.000 0.945 399 D CB 1.819 42.674 40.800 0.092 0.000 1.152 399 D HN 0.936 nan 8.370 nan 0.000 0.451 400 S N 0.153 115.898 115.700 0.075 0.000 2.556 400 S HA 0.445 4.927 4.470 0.021 0.000 0.271 400 S C -2.250 172.403 174.600 0.089 0.000 1.135 400 S CA -1.226 57.018 58.200 0.073 0.000 0.858 400 S CB 1.812 65.021 63.200 0.014 0.000 1.114 400 S HN 0.070 nan 8.310 nan 0.000 0.468 401 P HA 0.119 nan 4.420 nan 0.000 0.218 401 P C -0.333 177.050 177.300 0.139 0.000 1.148 401 P CA 1.158 64.345 63.100 0.145 0.000 0.822 401 P CB 0.088 31.943 31.700 0.258 0.000 0.784 402 I N -0.340 120.310 120.570 0.134 0.000 2.406 402 I HA 0.225 4.408 4.170 0.021 0.000 0.290 402 I C -0.455 175.704 176.117 0.071 0.000 0.999 402 I CA -0.917 60.424 61.300 0.067 0.000 1.124 402 I CB 1.969 39.955 38.000 -0.022 0.000 1.289 402 I HN -0.274 nan 8.210 nan 0.000 0.441 403 I N 7.217 127.847 120.570 0.100 0.000 2.378 403 I HA 0.354 4.536 4.170 0.021 0.000 0.291 403 I C -0.073 176.073 176.117 0.050 0.000 0.992 403 I CA -0.730 60.621 61.300 0.084 0.000 1.154 403 I CB 1.738 39.808 38.000 0.117 0.000 1.315 403 I HN 0.116 nan 8.210 nan 0.000 0.448 404 V N 5.475 125.397 119.914 0.012 0.000 2.398 404 V HA 0.308 4.440 4.120 0.021 0.000 0.286 404 V C -0.148 175.926 176.094 -0.033 0.000 1.026 404 V CA -0.558 61.731 62.300 -0.017 0.000 0.868 404 V CB 1.972 33.785 31.823 -0.016 0.000 0.982 404 V HN 0.605 nan 8.190 nan 0.000 0.443 405 D N 4.078 124.427 120.400 -0.086 0.000 2.472 405 D HA 0.381 5.034 4.640 0.021 0.000 0.234 405 D C 0.940 177.230 176.300 -0.016 0.000 1.088 405 D CA -0.299 53.684 54.000 -0.028 0.000 0.882 405 D CB 1.186 41.995 40.800 0.015 0.000 1.037 405 D HN 0.425 nan 8.370 nan 0.000 0.520 406 I N 1.638 122.209 120.570 0.002 0.000 2.264 406 I HA -0.272 3.911 4.170 0.021 0.000 0.248 406 I C 2.359 178.484 176.117 0.013 0.000 1.111 406 I CA 1.478 62.783 61.300 0.008 0.000 1.382 406 I CB -0.211 37.795 38.000 0.010 0.000 1.060 406 I HN 0.456 nan 8.210 nan 0.000 0.418 407 T N -1.787 112.780 114.554 0.021 0.000 3.051 407 T HA -0.103 4.260 4.350 0.021 0.000 0.269 407 T C 1.398 176.113 174.700 0.025 0.000 1.127 407 T CA 0.874 62.989 62.100 0.025 0.000 1.107 407 T CB -0.176 68.712 68.868 0.033 0.000 0.898 407 T HN 0.371 nan 8.240 nan 0.000 0.517 408 K N 0.520 120.932 120.400 0.020 0.000 2.438 408 K HA 0.159 4.492 4.320 0.021 0.000 0.205 408 K C 0.034 176.634 176.600 0.000 0.000 1.033 408 K CA 0.103 56.401 56.287 0.018 0.000 1.089 408 K CB 0.376 32.896 32.500 0.034 0.000 0.857 408 K HN 0.164 nan 8.250 nan 0.000 0.522 409 D N 2.117 122.519 120.400 0.004 0.000 2.713 409 D HA -0.150 4.503 4.640 0.021 0.000 0.231 409 D C -1.138 175.162 176.300 -0.001 0.000 1.173 409 D CA 1.126 55.133 54.000 0.011 0.000 0.628 409 D CB -0.647 40.164 40.800 0.018 0.000 1.033 409 D HN 0.095 nan 8.370 nan 0.000 0.419 410 T N 0.448 114.971 114.554 -0.052 0.000 2.876 410 T HA 0.637 5.000 4.350 0.021 0.000 0.289 410 T C -0.277 174.294 174.700 -0.215 0.000 1.014 410 T CA -0.730 61.266 62.100 -0.174 0.000 0.986 410 T CB 0.967 69.690 68.868 -0.242 0.000 1.021 410 T HN 0.187 nan 8.240 nan 0.000 0.458 411 F N 0.308 120.030 119.950 -0.379 0.000 2.561 411 F HA 0.803 5.343 4.527 0.021 0.000 0.321 411 F C -1.499 174.016 175.800 -0.475 0.000 1.065 411 F CA -1.597 56.135 58.000 -0.447 0.000 0.934 411 F CB 1.046 39.898 39.000 -0.246 0.000 1.215 411 F HN 0.480 nan 8.300 nan 0.000 0.471 412 Y N 1.543 121.892 120.300 0.081 0.000 2.334 412 Y HA 0.412 4.975 4.550 0.021 0.000 0.336 412 Y C -0.221 175.683 175.900 0.007 0.000 0.960 412 Y CA -1.198 56.902 58.100 -0.001 0.000 1.164 412 Y CB 1.500 39.961 38.460 0.001 0.000 1.155 412 Y HN 0.419 nan 8.280 nan 0.000 0.478 413 K N 4.808 125.244 120.400 0.061 0.000 2.312 413 K HA 0.201 4.533 4.320 0.021 0.000 0.287 413 K C -0.331 176.365 176.600 0.161 0.000 1.062 413 K CA -0.399 55.821 56.287 -0.111 0.000 0.934 413 K CB 0.902 33.080 32.500 -0.536 0.000 1.027 413 K HN 0.683 nan 8.250 nan 0.000 0.478 414 Q N 2.652 122.559 119.800 0.178 0.000 2.212 414 Q HA 0.126 4.479 4.340 0.021 0.000 0.238 414 Q C -1.771 174.474 176.000 0.408 0.000 0.955 414 Q CA -2.075 53.883 55.803 0.258 0.000 0.906 414 Q CB 0.603 29.431 28.738 0.149 0.000 1.215 414 Q HN 0.230 nan 8.270 nan 0.000 0.478 415 P HA -0.260 nan 4.420 nan 0.000 0.218 415 P C 1.210 178.721 177.300 0.351 0.000 1.154 415 P CA 1.865 65.245 63.100 0.466 0.000 0.872 415 P CB 0.058 31.941 31.700 0.305 0.000 0.790 416 M N -2.935 116.727 119.600 0.104 0.000 2.108 416 M HA -0.234 4.259 4.480 0.021 0.000 0.257 416 M C 2.055 178.334 176.300 -0.036 0.000 1.071 416 M CA 1.939 57.171 55.300 -0.113 0.000 1.093 416 M CB -1.042 31.379 32.600 -0.299 0.000 1.345 416 M HN -0.082 nan 8.290 nan 0.000 0.403 417 F N 0.366 120.257 119.950 -0.099 0.000 2.065 417 F HA -0.309 4.230 4.527 0.020 0.000 0.298 417 F C 1.948 177.620 175.800 -0.214 0.000 1.112 417 F CA 1.863 59.728 58.000 -0.224 0.000 1.212 417 F CB -0.547 38.176 39.000 -0.461 0.000 0.975 417 F HN 0.037 nan 8.300 nan 0.000 0.476 418 Y N -0.865 119.588 120.300 0.255 0.000 2.263 418 Y HA -0.175 4.390 4.550 0.025 0.000 0.292 418 Y C 2.779 178.764 175.900 0.141 0.000 1.130 418 Y CA 1.641 59.856 58.100 0.191 0.000 1.179 418 Y CB -1.017 37.644 38.460 0.335 0.000 0.998 418 Y HN 0.178 nan 8.280 nan 0.000 0.532 419 H N -0.373 118.805 119.070 0.181 0.000 2.387 419 H HA -0.137 4.432 4.556 0.022 0.000 0.299 419 H C 2.235 177.636 175.328 0.122 0.000 1.090 419 H CA 1.676 57.775 56.048 0.084 0.000 1.332 419 H CB -0.238 29.492 29.762 -0.053 0.000 1.386 419 H HN 0.352 nan 8.280 nan 0.000 0.516 420 L N -0.140 121.131 121.223 0.081 0.000 2.056 420 L HA -0.083 4.269 4.340 0.021 0.000 0.207 420 L C 2.840 179.701 176.870 -0.016 0.000 1.078 420 L CA 1.104 55.960 54.840 0.026 0.000 0.749 420 L CB -0.440 41.606 42.059 -0.021 0.000 0.901 420 L HN 0.272 nan 8.230 nan 0.000 0.433 421 G N -2.008 106.695 108.800 -0.163 0.000 2.422 421 G HA2 -0.244 3.729 3.960 0.021 0.000 0.218 421 G HA3 -0.244 3.729 3.960 0.021 0.000 0.218 421 G C 1.385 176.109 174.900 -0.293 0.000 1.140 421 G CA 0.308 45.214 45.100 -0.322 0.000 0.775 421 G HN 0.416 nan 8.290 nan 0.000 0.545 422 H N -0.747 118.208 119.070 -0.191 0.000 2.518 422 H HA -0.043 4.525 4.556 0.019 0.000 0.292 422 H C 1.895 176.954 175.328 -0.448 0.000 1.068 422 H CA 1.195 57.110 56.048 -0.222 0.000 1.275 422 H CB 0.085 29.643 29.762 -0.339 0.000 1.375 422 H HN 0.476 nan 8.280 nan 0.000 0.563 423 F N -0.211 119.602 119.950 -0.227 0.000 2.298 423 F HA -0.083 4.458 4.527 0.024 0.000 0.282 423 F C 2.887 178.211 175.800 -0.793 0.000 1.045 423 F CA 0.736 58.423 58.000 -0.522 0.000 1.280 423 F CB -0.549 37.980 39.000 -0.786 0.000 1.114 423 F HN 0.013 nan 8.300 nan 0.000 0.546 424 S N 0.382 115.678 115.700 -0.674 0.000 2.382 424 S HA -0.234 4.249 4.470 0.021 0.000 0.228 424 S C 1.966 176.332 174.600 -0.389 0.000 1.027 424 S CA 1.375 59.260 58.200 -0.525 0.000 0.991 424 S CB -0.625 62.516 63.200 -0.097 0.000 0.823 424 S HN 0.364 nan 8.310 nan 0.000 0.469 425 K N 0.173 120.182 120.400 -0.651 0.000 2.211 425 K HA 0.059 4.392 4.320 0.021 0.000 0.203 425 K C 0.457 176.443 176.600 -1.024 0.000 1.050 425 K CA 1.135 56.815 56.287 -1.013 0.000 0.945 425 K CB -0.130 31.353 32.500 -1.695 0.000 0.732 425 K HN 0.586 nan 8.250 nan 0.000 0.451 426 F N -0.262 119.517 119.950 -0.284 0.000 2.729 426 F HA 0.320 4.862 4.527 0.024 0.000 0.315 426 F C 0.035 175.805 175.800 -0.049 0.000 1.102 426 F CA -0.592 57.305 58.000 -0.171 0.000 1.204 426 F CB 0.939 39.825 39.000 -0.190 0.000 1.052 426 F HN -0.186 nan 8.300 nan 0.000 0.551 427 I N 3.170 123.748 120.570 0.014 0.000 2.782 427 I HA 0.237 4.420 4.170 0.021 0.000 0.279 427 I C -2.486 173.662 176.117 0.053 0.000 1.247 427 I CA -1.879 59.461 61.300 0.068 0.000 1.062 427 I CB 0.680 38.825 38.000 0.241 0.000 1.421 427 I HN -0.223 nan 8.210 nan 0.000 0.558 428 P HA 0.006 nan 4.420 nan 0.000 0.271 428 P C -0.056 177.230 177.300 -0.024 0.000 1.233 428 P CA -0.116 62.938 63.100 -0.075 0.000 0.789 428 P CB 0.818 32.425 31.700 -0.156 0.000 0.951 429 E N 0.030 120.220 120.200 -0.018 0.000 2.529 429 E HA 0.156 4.519 4.350 0.021 0.000 0.259 429 E C 1.007 177.594 176.600 -0.022 0.000 0.966 429 E CA 1.030 57.410 56.400 -0.034 0.000 0.937 429 E CB -0.662 28.999 29.700 -0.065 0.000 0.923 429 E HN 0.775 nan 8.360 nan 0.000 0.468 430 G N 3.010 111.809 108.800 -0.002 0.000 2.253 430 G HA2 -0.230 3.743 3.960 0.021 0.000 0.209 430 G HA3 -0.230 3.743 3.960 0.021 0.000 0.209 430 G C 0.108 175.030 174.900 0.038 0.000 0.997 430 G CA 0.042 45.153 45.100 0.017 0.000 0.640 430 G HN 0.588 nan 8.290 nan 0.000 0.496 431 S N 0.230 115.953 115.700 0.038 0.000 2.579 431 S HA 0.506 4.989 4.470 0.021 0.000 0.275 431 S C 0.088 174.747 174.600 0.097 0.000 1.345 431 S CA 0.283 58.527 58.200 0.073 0.000 1.031 431 S CB 1.709 64.958 63.200 0.082 0.000 0.892 431 S HN 0.659 nan 8.310 nan 0.000 0.529 432 Q N 1.422 121.288 119.800 0.109 0.000 2.330 432 Q HA 0.340 4.693 4.340 0.021 0.000 0.269 432 Q C -0.481 175.602 176.000 0.139 0.000 1.022 432 Q CA -0.726 55.146 55.803 0.116 0.000 0.796 432 Q CB 1.081 29.874 28.738 0.092 0.000 1.271 432 Q HN 0.634 nan 8.270 nan 0.000 0.450 433 R N 2.770 123.371 120.500 0.168 0.000 2.537 433 R HA 0.316 4.669 4.340 0.021 0.000 0.280 433 R C -0.527 175.953 176.300 0.300 0.000 1.058 433 R CA 0.088 56.300 56.100 0.186 0.000 1.057 433 R CB 0.432 30.814 30.300 0.137 0.000 0.973 433 R HN 0.525 nan 8.270 nan 0.000 0.438 434 V N 0.862 120.933 119.914 0.261 0.000 3.156 434 V HA 0.776 4.909 4.120 0.021 0.000 0.311 434 V C 0.246 176.534 176.094 0.324 0.000 1.208 434 V CA -0.663 61.828 62.300 0.318 0.000 1.063 434 V CB 1.297 33.206 31.823 0.143 0.000 1.098 434 V HN 0.843 nan 8.190 nan 0.000 0.452 435 G N -0.178 108.823 108.800 0.335 0.000 2.572 435 G HA2 0.580 4.553 3.960 0.021 0.000 0.261 435 G HA3 0.580 4.553 3.960 0.021 0.000 0.261 435 G C -1.134 173.838 174.900 0.119 0.000 1.197 435 G CA -0.179 45.084 45.100 0.270 0.000 0.870 435 G HN 1.421 nan 8.290 nan 0.000 0.548 436 L N 0.999 122.263 121.223 0.068 0.000 2.710 436 L HA 0.478 4.831 4.340 0.021 0.000 0.262 436 L C -0.452 176.431 176.870 0.021 0.000 0.940 436 L CA -0.742 54.122 54.840 0.040 0.000 0.944 436 L CB 1.729 43.807 42.059 0.032 0.000 1.348 436 L HN 0.786 nan 8.230 nan 0.000 0.425 437 V N 2.329 122.257 119.914 0.023 0.000 2.715 437 V HA 1.054 5.187 4.120 0.021 0.000 0.310 437 V C 0.159 176.261 176.094 0.014 0.000 1.054 437 V CA 0.003 62.314 62.300 0.018 0.000 0.928 437 V CB 1.497 33.336 31.823 0.027 0.000 1.007 437 V HN 1.094 nan 8.190 nan 0.000 0.437 438 A N 3.058 125.886 122.820 0.014 0.000 2.295 438 A HA 0.704 5.037 4.320 0.021 0.000 0.318 438 A C 0.980 178.576 177.584 0.020 0.000 1.134 438 A CA -0.007 52.038 52.037 0.014 0.000 0.827 438 A CB 1.441 20.450 19.000 0.015 0.000 1.136 438 A HN 1.919 nan 8.150 nan 0.000 0.493 439 S N 0.082 115.796 115.700 0.023 0.000 2.605 439 S HA 0.289 4.772 4.470 0.021 0.000 0.217 439 S C 0.253 174.869 174.600 0.028 0.000 0.958 439 S CA 0.372 58.590 58.200 0.030 0.000 0.919 439 S CB -0.552 62.672 63.200 0.040 0.000 0.780 439 S HN 1.069 nan 8.310 nan 0.000 0.507 440 Q N -0.629 119.186 119.800 0.025 0.000 2.791 440 Q HA 0.382 4.735 4.340 0.021 0.000 0.280 440 Q C -1.850 174.164 176.000 0.023 0.000 0.928 440 Q CA -1.064 54.753 55.803 0.024 0.000 0.819 440 Q CB 0.334 29.086 28.738 0.023 0.000 1.552 440 Q HN -0.002 nan 8.270 nan 0.000 0.410 441 K N 1.362 121.777 120.400 0.024 0.000 2.527 441 K HA 0.154 4.487 4.320 0.021 0.000 0.278 441 K C -0.542 176.073 176.600 0.025 0.000 0.981 441 K CA 1.448 57.752 56.287 0.027 0.000 1.009 441 K CB 0.182 32.698 32.500 0.028 0.000 0.895 441 K HN 0.768 nan 8.250 nan 0.000 0.493 442 N N -0.602 118.115 118.700 0.029 0.000 3.046 442 N HA 0.192 4.945 4.740 0.021 0.000 0.243 442 N C -1.226 174.304 175.510 0.034 0.000 1.452 442 N CA -0.826 52.239 53.050 0.026 0.000 0.882 442 N CB 1.065 39.564 38.487 0.021 0.000 1.425 442 N HN 0.211 nan 8.380 nan 0.000 0.517 443 D N -0.110 120.308 120.400 0.030 0.000 2.328 443 D HA 0.193 4.846 4.640 0.021 0.000 0.221 443 D C 0.002 176.335 176.300 0.055 0.000 1.072 443 D CA 0.196 54.221 54.000 0.041 0.000 0.850 443 D CB 0.154 40.971 40.800 0.028 0.000 0.922 443 D HN 0.366 nan 8.370 nan 0.000 0.516 444 L N 0.638 121.891 121.223 0.050 0.000 2.421 444 L HA 0.271 4.624 4.340 0.021 0.000 0.263 444 L C 0.434 177.356 176.870 0.087 0.000 1.122 444 L CA -0.355 54.521 54.840 0.060 0.000 0.804 444 L CB 0.961 43.041 42.059 0.036 0.000 1.150 444 L HN -0.277 nan 8.230 nan 0.000 0.457 445 D N 1.520 121.985 120.400 0.109 0.000 2.344 445 D HA 0.595 5.247 4.640 0.021 0.000 0.239 445 D C -0.755 175.604 176.300 0.099 0.000 1.064 445 D CA -0.036 54.036 54.000 0.120 0.000 0.829 445 D CB 2.234 43.142 40.800 0.180 0.000 1.129 445 D HN 0.575 nan 8.370 nan 0.000 0.506 446 A N 1.813 124.677 122.820 0.074 0.000 2.475 446 A HA 0.707 5.040 4.320 0.021 0.000 0.301 446 A C -1.268 176.352 177.584 0.059 0.000 1.059 446 A CA -0.745 51.335 52.037 0.072 0.000 0.710 446 A CB 2.153 21.186 19.000 0.054 0.000 1.288 446 A HN 0.345 nan 8.150 nan 0.000 0.408 447 V N 0.457 120.422 119.914 0.084 0.000 2.971 447 V HA 0.866 4.999 4.120 0.021 0.000 0.309 447 V C -0.588 175.555 176.094 0.081 0.000 1.130 447 V CA 0.117 62.458 62.300 0.067 0.000 0.964 447 V CB 2.014 33.896 31.823 0.098 0.000 1.029 447 V HN 1.954 nan 8.190 nan 0.000 0.427 448 A N 5.968 128.827 122.820 0.064 0.000 2.371 448 A HA 0.968 5.300 4.320 0.021 0.000 0.311 448 A C -1.604 176.027 177.584 0.079 0.000 1.068 448 A CA -0.496 51.582 52.037 0.069 0.000 0.744 448 A CB 1.420 20.460 19.000 0.067 0.000 1.239 448 A HN 0.836 nan 8.150 nan 0.000 0.435 449 L N 1.112 122.379 121.223 0.073 0.000 2.359 449 L HA 0.708 5.060 4.340 0.021 0.000 0.256 449 L C -0.261 176.649 176.870 0.068 0.000 1.026 449 L CA -0.268 54.634 54.840 0.104 0.000 0.828 449 L CB 2.156 44.308 42.059 0.155 0.000 1.406 449 L HN 0.799 nan 8.230 nan 0.000 0.413 450 M N 0.489 120.143 119.600 0.089 0.000 2.383 450 M HA 0.446 4.939 4.480 0.021 0.000 0.325 450 M C -0.611 175.795 176.300 0.176 0.000 1.092 450 M CA -0.322 55.014 55.300 0.061 0.000 0.961 450 M CB 1.453 34.066 32.600 0.023 0.000 1.672 450 M HN 0.558 nan 8.290 nan 0.000 0.438 451 H N 3.355 122.424 119.070 -0.002 0.000 2.660 451 H HA 0.120 4.689 4.556 0.022 0.000 0.374 451 H C -1.747 173.600 175.328 0.031 0.000 1.291 451 H CA -1.470 54.603 56.048 0.041 0.000 1.437 451 H CB 0.544 30.351 29.762 0.075 0.000 1.509 451 H HN 0.484 nan 8.280 nan 0.000 0.614 452 P HA -0.182 nan 4.420 nan 0.000 0.216 452 P C 0.745 178.095 177.300 0.083 0.000 1.150 452 P CA 1.587 64.737 63.100 0.085 0.000 0.843 452 P CB 0.043 31.777 31.700 0.056 0.000 0.787 453 D N -2.234 118.233 120.400 0.112 0.000 2.349 453 D HA 0.069 4.722 4.640 0.021 0.000 0.224 453 D C 1.448 177.756 176.300 0.015 0.000 1.029 453 D CA 0.815 54.853 54.000 0.064 0.000 0.879 453 D CB -0.783 40.064 40.800 0.079 0.000 0.906 453 D HN 0.256 nan 8.370 nan 0.000 0.528 454 G N -0.250 108.560 108.800 0.017 0.000 2.232 454 G HA2 -0.263 3.710 3.960 0.021 0.000 0.226 454 G HA3 -0.263 3.710 3.960 0.021 0.000 0.226 454 G C 0.489 175.322 174.900 -0.113 0.000 0.996 454 G CA 0.246 45.325 45.100 -0.035 0.000 0.626 454 G HN 0.818 nan 8.290 nan 0.000 0.509 455 S N 0.317 115.906 115.700 -0.184 0.000 2.624 455 S HA 0.832 5.315 4.470 0.021 0.000 0.263 455 S C 0.367 174.679 174.600 -0.480 0.000 1.287 455 S CA 0.597 58.566 58.200 -0.385 0.000 0.990 455 S CB 2.016 64.858 63.200 -0.596 0.000 0.950 455 S HN 1.939 nan 8.310 nan 0.000 0.561 456 A N 0.069 122.438 122.820 -0.752 0.000 2.337 456 A HA 0.821 5.154 4.320 0.021 0.000 0.331 456 A C -0.653 176.469 177.584 -0.770 0.000 1.137 456 A CA -0.868 50.660 52.037 -0.848 0.000 0.807 456 A CB 1.465 19.655 19.000 -1.350 0.000 1.250 456 A HN 1.534 nan 8.150 nan 0.000 0.468 457 V N 1.940 121.592 119.914 -0.437 0.000 2.733 457 V HA 0.670 4.803 4.120 0.021 0.000 0.306 457 V C -1.499 174.561 176.094 -0.056 0.000 1.084 457 V CA -0.349 61.846 62.300 -0.174 0.000 0.905 457 V CB 1.891 33.753 31.823 0.064 0.000 1.010 457 V HN 0.856 nan 8.190 nan 0.000 0.424 458 V N 6.646 126.604 119.914 0.072 0.000 2.588 458 V HA 0.581 4.713 4.120 0.021 0.000 0.304 458 V C -0.394 175.798 176.094 0.163 0.000 1.042 458 V CA -0.636 61.752 62.300 0.147 0.000 0.877 458 V CB 2.034 33.991 31.823 0.223 0.000 0.996 458 V HN 0.707 nan 8.190 nan 0.000 0.425 459 V N 5.063 125.030 119.914 0.090 0.000 2.472 459 V HA 0.599 4.732 4.120 0.021 0.000 0.290 459 V C -0.329 175.819 176.094 0.090 0.000 1.037 459 V CA -0.508 61.802 62.300 0.016 0.000 0.908 459 V CB 1.928 33.596 31.823 -0.259 0.000 0.985 459 V HN 0.620 nan 8.190 nan 0.000 0.454 460 V N 5.900 125.883 119.914 0.115 0.000 2.525 460 V HA 0.510 4.643 4.120 0.021 0.000 0.299 460 V C -0.709 175.417 176.094 0.054 0.000 1.034 460 V CA -0.543 61.823 62.300 0.110 0.000 0.863 460 V CB 1.722 33.644 31.823 0.164 0.000 0.999 460 V HN 0.668 nan 8.190 nan 0.000 0.423 461 L N 4.582 125.850 121.223 0.074 0.000 2.341 461 L HA 0.707 5.060 4.340 0.021 0.000 0.278 461 L C -0.530 176.401 176.870 0.101 0.000 1.005 461 L CA -0.043 54.855 54.840 0.097 0.000 0.818 461 L CB 1.869 44.024 42.059 0.161 0.000 1.259 461 L HN 0.651 nan 8.230 nan 0.000 0.418 462 N N 3.812 122.578 118.700 0.110 0.000 2.476 462 N HA 0.370 5.123 4.740 0.021 0.000 0.257 462 N C 0.053 175.670 175.510 0.178 0.000 0.970 462 N CA -0.244 52.861 53.050 0.093 0.000 0.938 462 N CB 1.228 39.724 38.487 0.016 0.000 1.144 462 N HN 0.700 nan 8.380 nan 0.000 0.500 463 R N 0.701 121.300 120.500 0.164 0.000 2.334 463 R HA 0.114 4.467 4.340 0.021 0.000 0.216 463 R C 0.455 176.890 176.300 0.225 0.000 0.905 463 R CA -0.068 56.181 56.100 0.249 0.000 1.064 463 R CB 0.215 30.609 30.300 0.156 0.000 1.046 463 R HN 0.628 nan 8.270 nan 0.000 0.508 464 S N -0.520 115.200 115.700 0.033 0.000 2.617 464 S HA 0.049 4.532 4.470 0.021 0.000 0.269 464 S C 1.306 175.577 174.600 -0.548 0.000 1.292 464 S CA -0.326 57.806 58.200 -0.112 0.000 1.010 464 S CB 1.839 64.997 63.200 -0.070 0.000 0.944 464 S HN 0.172 nan 8.310 nan 0.000 0.536 465 S N 1.036 116.396 115.700 -0.566 0.000 2.453 465 S HA 0.055 4.538 4.470 0.021 0.000 0.231 465 S C 0.387 174.763 174.600 -0.372 0.000 1.005 465 S CA 0.231 57.994 58.200 -0.728 0.000 0.949 465 S CB -0.546 62.509 63.200 -0.243 0.000 0.774 465 S HN 0.727 nan 8.310 nan 0.000 0.510 466 K N 2.272 122.536 120.400 -0.227 0.000 2.249 466 K HA 0.273 4.606 4.320 0.021 0.000 0.280 466 K C -0.958 175.575 176.600 -0.112 0.000 1.033 466 K CA -0.396 55.814 56.287 -0.127 0.000 0.946 466 K CB 0.423 32.878 32.500 -0.076 0.000 1.005 466 K HN 0.154 nan 8.250 nan 0.000 0.469 467 D N 1.765 122.120 120.400 -0.075 0.000 2.417 467 D HA 0.041 4.694 4.640 0.021 0.000 0.250 467 D C -0.671 175.608 176.300 -0.036 0.000 1.166 467 D CA 0.053 54.023 54.000 -0.050 0.000 0.881 467 D CB 0.817 41.601 40.800 -0.026 0.000 1.164 467 D HN 0.003 nan 8.370 nan 0.000 0.467 468 V N 5.590 125.484 119.914 -0.033 0.000 2.334 468 V HA 0.266 4.398 4.120 0.021 0.000 0.281 468 V C -2.147 173.941 176.094 -0.011 0.000 1.016 468 V CA -1.702 60.585 62.300 -0.022 0.000 0.832 468 V CB 1.563 33.372 31.823 -0.023 0.000 0.999 468 V HN 0.369 nan 8.190 nan 0.000 0.439 469 P HA 0.465 nan 4.420 nan 0.000 0.275 469 P C -0.768 176.528 177.300 -0.007 0.000 1.227 469 P CA -0.107 62.996 63.100 0.004 0.000 0.781 469 P CB 0.766 32.473 31.700 0.012 0.000 0.906 470 L N -0.672 120.536 121.223 -0.025 0.000 2.568 470 L HA 0.811 5.164 4.340 0.021 0.000 0.257 470 L C -1.391 175.410 176.870 -0.114 0.000 1.024 470 L CA -0.635 54.171 54.840 -0.057 0.000 0.854 470 L CB 2.202 44.223 42.059 -0.063 0.000 1.460 470 L HN 0.095 nan 8.230 nan 0.000 0.409 471 T N 2.004 116.463 114.554 -0.158 0.000 2.861 471 T HA 0.644 5.007 4.350 0.021 0.000 0.287 471 T C -0.508 174.054 174.700 -0.230 0.000 1.003 471 T CA -0.253 61.703 62.100 -0.241 0.000 0.977 471 T CB 1.655 70.267 68.868 -0.427 0.000 0.996 471 T HN 0.479 nan 8.240 nan 0.000 0.448 472 I N 2.772 123.161 120.570 -0.302 0.000 2.339 472 I HA 0.402 4.585 4.170 0.021 0.000 0.290 472 I C 0.219 176.134 176.117 -0.337 0.000 0.994 472 I CA -0.775 60.346 61.300 -0.298 0.000 1.191 472 I CB 1.463 39.227 38.000 -0.393 0.000 1.343 472 I HN 0.311 nan 8.210 nan 0.000 0.458 473 K N 5.429 125.650 120.400 -0.298 0.000 2.211 473 K HA 0.227 4.560 4.320 0.021 0.000 0.275 473 K C -1.097 175.296 176.600 -0.345 0.000 1.024 473 K CA -0.442 55.537 56.287 -0.513 0.000 0.887 473 K CB 0.997 33.228 32.500 -0.449 0.000 1.084 473 K HN 0.458 nan 8.250 nan 0.000 0.463 474 D N 6.162 126.336 120.400 -0.377 0.000 2.425 474 D HA 0.211 4.864 4.640 0.021 0.000 0.240 474 D C -1.765 174.415 176.300 -0.200 0.000 1.080 474 D CA -2.401 51.510 54.000 -0.149 0.000 0.836 474 D CB 1.906 42.727 40.800 0.034 0.000 1.125 474 D HN 0.309 nan 8.370 nan 0.000 0.525 475 P HA -0.011 nan 4.420 nan 0.000 0.230 475 P C 0.974 178.233 177.300 -0.069 0.000 1.158 475 P CA 0.349 63.372 63.100 -0.128 0.000 0.769 475 P CB 0.337 31.993 31.700 -0.073 0.000 0.807 476 A N 0.423 123.226 122.820 -0.028 0.000 1.930 476 A HA -0.065 4.268 4.320 0.021 0.000 0.217 476 A C 2.158 179.738 177.584 -0.006 0.000 1.175 476 A CA 2.411 54.448 52.037 0.001 0.000 0.627 476 A CB -1.107 17.914 19.000 0.035 0.000 0.815 476 A HN 0.220 nan 8.150 nan 0.000 0.443 477 V N -5.865 114.031 119.914 -0.030 0.000 3.371 477 V HA 0.642 4.775 4.120 0.021 0.000 0.246 477 V C 1.119 177.161 176.094 -0.087 0.000 1.303 477 V CA 0.872 63.151 62.300 -0.035 0.000 1.156 477 V CB -0.387 31.439 31.823 0.005 0.000 0.929 477 V HN 1.433 nan 8.190 nan 0.000 0.459 478 G N 0.576 109.254 108.800 -0.203 0.000 2.217 478 G HA2 0.157 4.130 3.960 0.021 0.000 0.126 478 G HA3 0.157 4.130 3.960 0.021 0.000 0.126 478 G C -1.444 173.144 174.900 -0.519 0.000 1.293 478 G CA -0.224 44.737 45.100 -0.231 0.000 1.219 478 G HN 0.333 nan 8.290 nan 0.000 0.477 479 F N 0.273 120.121 119.950 -0.169 0.000 2.547 479 F HA 0.742 5.281 4.527 0.020 0.000 0.316 479 F C -0.237 175.391 175.800 -0.287 0.000 1.121 479 F CA -0.647 57.211 58.000 -0.238 0.000 0.911 479 F CB 2.159 41.053 39.000 -0.176 0.000 1.179 479 F HN 0.297 nan 8.300 nan 0.000 0.443 480 L N 3.215 124.259 121.223 -0.298 0.000 2.257 480 L HA 0.377 4.730 4.340 0.021 0.000 0.290 480 L C -0.235 176.449 176.870 -0.311 0.000 1.044 480 L CA -0.159 54.420 54.840 -0.436 0.000 0.810 480 L CB 0.961 42.483 42.059 -0.896 0.000 1.193 480 L HN 0.535 nan 8.230 nan 0.000 0.425 481 E N 1.835 121.947 120.200 -0.148 0.000 2.156 481 E HA 0.607 4.969 4.350 0.021 0.000 0.279 481 E C -0.336 176.233 176.600 -0.052 0.000 0.965 481 E CA -0.260 56.092 56.400 -0.080 0.000 0.789 481 E CB 1.808 31.515 29.700 0.012 0.000 1.098 481 E HN 0.564 nan 8.360 nan 0.000 0.397 482 T N 2.156 116.676 114.554 -0.057 0.000 2.711 482 T HA 0.591 4.954 4.350 0.021 0.000 0.302 482 T C -1.657 173.076 174.700 0.055 0.000 1.373 482 T CA -0.511 61.607 62.100 0.031 0.000 1.000 482 T CB 0.848 69.728 68.868 0.020 0.000 1.483 482 T HN 0.335 nan 8.240 nan 0.000 0.499 483 I N 1.725 122.373 120.570 0.129 0.000 2.582 483 I HA 0.463 4.645 4.170 0.021 0.000 0.292 483 I C -0.343 175.846 176.117 0.120 0.000 1.066 483 I CA -0.859 60.498 61.300 0.096 0.000 1.053 483 I CB 2.265 40.315 38.000 0.084 0.000 1.241 483 I HN 0.498 nan 8.210 nan 0.000 0.421 484 S N 7.042 122.742 115.700 0.000 0.000 2.404 484 S HA 0.475 4.958 4.470 0.021 0.000 0.309 484 S C -2.459 172.084 174.600 -0.096 0.000 1.076 484 S CA -1.487 56.624 58.200 -0.148 0.000 1.095 484 S CB 0.497 63.617 63.200 -0.133 0.000 0.972 484 S HN 0.201 nan 8.310 nan 0.000 0.484 485 P HA 0.178 nan 4.420 nan 0.000 0.271 485 P C 0.201 177.467 177.300 -0.056 0.000 1.218 485 P CA -0.092 62.989 63.100 -0.031 0.000 0.780 485 P CB 0.359 32.076 31.700 0.029 0.000 0.901 486 G N 2.233 110.972 108.800 -0.102 0.000 2.321 486 G HA2 -0.013 3.960 3.960 0.021 0.000 0.237 486 G HA3 -0.013 3.960 3.960 0.021 0.000 0.237 486 G C -0.666 174.174 174.900 -0.100 0.000 1.282 486 G CA -0.047 44.909 45.100 -0.239 0.000 0.886 486 G HN 0.588 nan 8.290 nan 0.000 0.528 487 Y N -0.084 120.299 120.300 0.137 0.000 2.970 487 Y HA -0.211 4.355 4.550 0.025 0.000 0.164 487 Y C 1.037 177.131 175.900 0.323 0.000 1.661 487 Y CA 0.487 58.770 58.100 0.306 0.000 0.895 487 Y CB -1.758 36.826 38.460 0.208 0.000 1.437 487 Y HN 1.030 nan 8.280 nan 0.000 0.371 488 S N 0.706 116.663 115.700 0.427 0.000 2.570 488 S HA 0.867 5.350 4.470 0.021 0.000 0.270 488 S C -1.006 173.730 174.600 0.227 0.000 1.149 488 S CA -0.959 57.447 58.200 0.344 0.000 0.837 488 S CB 3.011 66.279 63.200 0.114 0.000 1.124 488 S HN 0.522 nan 8.310 nan 0.000 0.465 489 I N 1.278 121.942 120.570 0.155 0.000 2.533 489 I HA 0.566 4.749 4.170 0.021 0.000 0.290 489 I C -1.438 174.689 176.117 0.018 0.000 1.056 489 I CA -0.547 60.685 61.300 -0.114 0.000 1.057 489 I CB 1.678 39.387 38.000 -0.485 0.000 1.240 489 I HN 0.922 nan 8.210 nan 0.000 0.423 490 H N 4.337 123.345 119.070 -0.104 0.000 2.600 490 H HA 0.440 5.001 4.556 0.008 0.000 0.357 490 H C -1.035 174.295 175.328 0.004 0.000 1.106 490 H CA -0.954 55.085 56.048 -0.014 0.000 1.193 490 H CB 2.309 32.041 29.762 -0.050 0.000 1.594 490 H HN 0.429 nan 8.280 nan 0.000 0.526 491 T N 2.780 117.401 114.554 0.112 0.000 2.823 491 T HA 0.297 4.659 4.350 0.021 0.000 0.279 491 T C -0.959 173.585 174.700 -0.260 0.000 0.998 491 T CA -0.595 61.473 62.100 -0.054 0.000 0.994 491 T CB 0.712 69.459 68.868 -0.202 0.000 0.960 491 T HN 0.312 nan 8.240 nan 0.000 0.448 492 Y N 1.849 122.180 120.300 0.051 0.000 2.364 492 Y HA 0.651 5.208 4.550 0.012 0.000 0.340 492 Y C -0.290 175.718 175.900 0.180 0.000 0.975 492 Y CA -1.046 57.151 58.100 0.161 0.000 1.089 492 Y CB 1.290 39.879 38.460 0.215 0.000 1.192 492 Y HN 0.381 nan 8.280 nan 0.000 0.454 493 L N 3.764 125.225 121.223 0.396 0.000 2.386 493 L HA 0.614 4.966 4.340 0.021 0.000 0.271 493 L C -1.349 175.852 176.870 0.551 0.000 0.993 493 L CA -0.609 54.407 54.840 0.293 0.000 0.819 493 L CB 1.642 43.827 42.059 0.211 0.000 1.294 493 L HN 0.783 nan 8.230 nan 0.000 0.414 494 W N 1.372 122.769 121.300 0.162 0.000 3.213 494 W HA 0.669 5.343 4.660 0.024 0.000 0.318 494 W C -1.273 175.166 176.519 -0.133 0.000 1.248 494 W CA -1.041 56.348 57.345 0.073 0.000 1.187 494 W CB 0.789 30.311 29.460 0.104 0.000 1.403 494 W HN 0.225 nan 8.180 nan 0.000 0.556 495 R N 1.837 122.318 120.500 -0.033 0.000 2.594 495 R HA 0.335 4.687 4.340 0.021 0.000 0.272 495 R C 0.907 177.224 176.300 0.028 0.000 1.074 495 R CA -0.252 55.741 56.100 -0.178 0.000 1.105 495 R CB 0.914 31.112 30.300 -0.170 0.000 1.008 495 R HN 0.725 nan 8.270 nan 0.000 0.472 496 R N 1.000 121.470 120.500 -0.051 0.000 2.373 496 R HA 0.059 4.412 4.340 0.021 0.000 0.221 496 R C -0.006 176.299 176.300 0.009 0.000 0.893 496 R CA 0.259 56.377 56.100 0.030 0.000 1.049 496 R CB 0.784 31.081 30.300 -0.005 0.000 1.119 496 R HN 0.642 nan 8.270 nan 0.000 0.535 497 Q N 0.000 119.785 119.800 -0.025 0.000 2.315 497 Q HA 0.000 4.353 4.340 0.021 0.000 0.214 497 Q CA 0.000 55.793 55.803 -0.017 0.000 1.022 497 Q CB 0.000 28.728 28.738 -0.016 0.000 1.108 497 Q HN 0.000 nan 8.270 nan 0.000 0.481