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 3bnc_1_A DATA FIRST_RESID 1 DATA SEQUENCE MFSAGHKIKG TVVLMPKNXX XXXXXXXXXX NLNAFLGRSV SLQLISATKA DATA SEQUENCE DAHGKGKVGK DTFLEGINTS LPTLGAGESA FNIHFEWDGS MGIPGAFYIK DATA SEQUENCE NYMQVEFFLK SLTLEAXXXX GTIRFVCNSW VYNTKLYKSV RIFFANHTYV DATA SEQUENCE PSETPAPLVE YREEELKSLR GNGTGERKEY DRIYDYDVYN DLGNPDKSEK DATA SEQUENCE LARPVLGGSS TFPYPRRGRT GRGPTVTDPN TEKQGEVFYV PRDENLGHLK DATA SEQUENCE SKDALEIGTK SLSQIVQPAF ESAFDLKSTP IEFHSFQDVH DLYEGGIKLP DATA SEQUENCE RDVISTIIPL PVIKELYRTD GQHILKFPQP HVVQVSQSAW MTDEEFAREM DATA SEQUENCE IAGVNPCVIR GLEEFPPKSN LDPAIYGDQS SKITADSLDL DGYTMDEALG DATA SEQUENCE SRRLFMLDYH DIFMPYVRQI NQLNSAKTYA TRTILFLRED GTLKPVAIEL DATA SEQUENCE SLPHSAGDLS AAVSQVVLPA KEGVESTIWL LAKAYVIVND SCYHQLMSHW DATA SEQUENCE LNTHAAMEPF VIATHRHLSV LHPIYKLLTP HYRNNMNINA LARQSLINAN DATA SEQUENCE GIGETTFLPS KYSVEMSSAV YKNWVFTDQA LPADLIKRGV AIKDPSTPHG DATA SEQUENCE VRLLIEDYPY AADGLEIWAA IKTWVQEYVP LYYARDDDVK NDSELQHWWK DATA SEQUENCE EAVEKGHGDL KDKPWWPKLQ TLEDLVEVCL IIIWIASALH AAVNFGQYPY DATA SEQUENCE GGLIMNRPTA SRRLLPEKGT PEYEEMINNH EKAYLRTITS KLPTLISLSV DATA SEQUENCE IEILSTHASD EVYLGQRDNP HWTSDSKALQ AFQKFGNKLK EIEEKLVRRN DATA SEQUENCE NDPSLQGNRL GPVQLPYTLL YPSSEEGLTF RGIPNSISI 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.486 176.300 0.309 0.000 1.140 1 M CA 0.000 55.403 55.300 0.171 0.000 0.988 1 M CB 0.000 32.654 32.600 0.090 0.000 1.302 2 F N 2.307 122.282 119.950 0.043 0.000 2.563 2 F HA 0.212 4.740 4.527 0.002 0.000 0.363 2 F C 1.917 177.741 175.800 0.040 0.000 1.123 2 F CA 0.519 58.542 58.000 0.038 0.000 1.307 2 F CB 0.672 39.697 39.000 0.042 0.000 1.115 2 F HN 0.840 nan 8.300 nan 0.000 0.592 3 S N 1.327 117.131 115.700 0.173 0.000 2.419 3 S HA -0.072 4.400 4.470 0.002 0.000 0.233 3 S C 1.318 175.986 174.600 0.113 0.000 1.016 3 S CA 0.769 59.032 58.200 0.104 0.000 0.974 3 S CB -0.344 62.883 63.200 0.045 0.000 0.786 3 S HN 0.649 nan 8.310 nan 0.000 0.492 4 A N 0.893 123.800 122.820 0.145 0.000 2.564 4 A HA 0.673 4.994 4.320 0.002 0.000 0.279 4 A C 0.948 178.640 177.584 0.179 0.000 1.232 4 A CA -0.069 52.049 52.037 0.135 0.000 0.950 4 A CB -0.396 18.665 19.000 0.102 0.000 1.138 4 A HN 0.563 nan 8.150 nan 0.000 0.526 5 G N -0.438 108.494 108.800 0.219 0.000 2.594 5 G HA2 0.382 4.344 3.960 0.002 0.000 0.243 5 G HA3 0.382 4.344 3.960 0.002 0.000 0.243 5 G C -0.375 174.651 174.900 0.210 0.000 1.229 5 G CA -0.060 45.163 45.100 0.204 0.000 0.843 5 G HN 0.460 nan 8.290 nan 0.000 0.578 6 H N 0.824 119.953 119.070 0.098 0.000 2.689 6 H HA 0.279 4.837 4.556 0.002 0.000 0.346 6 H C -0.316 175.080 175.328 0.114 0.000 1.037 6 H CA -0.638 55.464 56.048 0.091 0.000 1.234 6 H CB 1.304 31.117 29.762 0.085 0.000 1.572 6 H HN 0.370 nan 8.280 nan 0.000 0.524 7 K N 4.593 124.855 120.400 -0.229 0.000 2.295 7 K HA 0.200 4.521 4.320 0.002 0.000 0.270 7 K C 0.283 176.842 176.600 -0.068 0.000 1.011 7 K CA -0.308 55.935 56.287 -0.072 0.000 0.953 7 K CB 1.168 33.642 32.500 -0.043 0.000 0.956 7 K HN 0.445 nan 8.250 nan 0.000 0.477 8 I N 2.833 123.465 120.570 0.104 0.000 2.452 8 I HA 0.010 4.182 4.170 0.002 0.000 0.287 8 I C 0.654 176.829 176.117 0.095 0.000 1.079 8 I CA -0.122 61.240 61.300 0.104 0.000 1.387 8 I CB 0.457 38.469 38.000 0.020 0.000 1.404 8 I HN 0.412 nan 8.210 nan 0.000 0.522 9 K N 5.822 126.251 120.400 0.047 0.000 2.349 9 K HA 0.387 4.708 4.320 0.002 0.000 0.288 9 K C -0.025 176.489 176.600 -0.144 0.000 1.058 9 K CA -0.173 56.026 56.287 -0.147 0.000 0.953 9 K CB 0.691 33.180 32.500 -0.018 0.000 0.997 9 K HN 0.821 nan 8.250 nan 0.000 0.477 10 G N 2.002 110.649 108.800 -0.256 0.000 2.481 10 G HA2 0.464 4.425 3.960 0.002 0.000 0.315 10 G HA3 0.464 4.425 3.960 0.002 0.000 0.315 10 G C -1.238 173.552 174.900 -0.184 0.000 1.231 10 G CA -0.515 44.515 45.100 -0.116 0.000 0.968 10 G HN 0.515 nan 8.290 nan 0.000 0.482 11 T N 0.553 115.031 114.554 -0.127 0.000 2.841 11 T HA 0.474 4.825 4.350 0.002 0.000 0.285 11 T C -0.493 174.143 174.700 -0.107 0.000 0.991 11 T CA -0.317 61.716 62.100 -0.111 0.000 0.966 11 T CB 1.747 70.562 68.868 -0.089 0.000 0.962 11 T HN 0.345 nan 8.240 nan 0.000 0.438 12 V N 3.965 123.831 119.914 -0.080 0.000 2.394 12 V HA 0.497 4.619 4.120 0.002 0.000 0.282 12 V C -0.134 175.950 176.094 -0.017 0.000 1.031 12 V CA -0.640 61.606 62.300 -0.091 0.000 0.881 12 V CB 1.711 33.463 31.823 -0.119 0.000 0.982 12 V HN 0.702 nan 8.190 nan 0.000 0.451 13 V N 6.791 126.672 119.914 -0.055 0.000 2.417 13 V HA 0.659 4.780 4.120 0.002 0.000 0.291 13 V C -0.333 175.723 176.094 -0.064 0.000 1.024 13 V CA -0.444 61.831 62.300 -0.041 0.000 0.861 13 V CB 1.406 33.204 31.823 -0.043 0.000 0.985 13 V HN 0.792 nan 8.190 nan 0.000 0.436 14 L N 2.552 123.742 121.223 -0.055 0.000 2.403 14 L HA 0.807 5.149 4.340 0.002 0.000 0.253 14 L C -0.768 176.075 176.870 -0.045 0.000 1.045 14 L CA -0.893 53.895 54.840 -0.087 0.000 0.845 14 L CB 2.276 44.181 42.059 -0.256 0.000 1.447 14 L HN 0.634 nan 8.230 nan 0.000 0.411 15 M N 1.769 121.390 119.600 0.036 0.000 2.134 15 M HA 0.626 5.108 4.480 0.002 0.000 0.310 15 M C -2.651 173.736 176.300 0.145 0.000 0.966 15 M CA -1.614 53.729 55.300 0.071 0.000 0.922 15 M CB 2.156 34.823 32.600 0.111 0.000 1.537 15 M HN 0.471 nan 8.290 nan 0.000 0.424 16 P HA 0.055 nan 4.420 nan 0.000 0.269 16 P C -0.173 177.341 177.300 0.356 0.000 1.209 16 P CA 0.031 63.339 63.100 0.347 0.000 0.776 16 P CB 0.607 32.508 31.700 0.334 0.000 0.876 17 K N 2.571 123.242 120.400 0.452 0.000 2.074 17 K HA -0.212 4.109 4.320 0.002 0.000 0.209 17 K C 0.885 177.663 176.600 0.297 0.000 1.048 17 K CA 1.452 58.018 56.287 0.465 0.000 0.926 17 K CB -0.284 32.419 32.500 0.339 0.000 0.713 17 K HN 0.588 nan 8.250 nan 0.000 0.444 32 L N 2.405 123.777 121.223 0.247 0.000 2.275 32 L HA 0.057 4.399 4.340 0.002 0.000 0.215 32 L C 1.750 178.893 176.870 0.455 0.000 1.119 32 L CA 0.827 55.903 54.840 0.392 0.000 0.790 32 L CB -0.429 41.730 42.059 0.167 0.000 0.919 32 L HN 0.256 nan 8.230 nan 0.000 0.443 33 N N 0.583 119.438 118.700 0.257 0.000 2.289 33 N HA -0.152 4.589 4.740 0.002 0.000 0.184 33 N C 1.906 177.519 175.510 0.171 0.000 1.016 33 N CA 1.332 54.502 53.050 0.200 0.000 0.872 33 N CB -0.029 38.523 38.487 0.108 0.000 0.973 33 N HN 0.338 nan 8.380 nan 0.000 0.433 34 A N 0.178 123.079 122.820 0.134 0.000 2.024 34 A HA -0.103 4.219 4.320 0.002 0.000 0.220 34 A C 1.667 179.173 177.584 -0.130 0.000 1.164 34 A CA 0.931 52.949 52.037 -0.032 0.000 0.643 34 A CB -0.808 18.116 19.000 -0.128 0.000 0.806 34 A HN 0.235 nan 8.150 nan 0.000 0.451 35 F N -0.169 119.769 119.950 -0.020 0.000 2.748 35 F HA 0.175 4.704 4.527 0.002 0.000 0.299 35 F C 1.199 176.900 175.800 -0.164 0.000 1.154 35 F CA 0.051 57.937 58.000 -0.190 0.000 1.446 35 F CB -0.269 38.410 39.000 -0.534 0.000 1.112 35 F HN 0.097 nan 8.300 nan 0.000 0.584 36 L N -1.377 119.916 121.223 0.117 0.000 2.946 36 L HA 0.492 4.834 4.340 0.002 0.000 0.189 36 L C 1.780 178.657 176.870 0.012 0.000 1.249 36 L CA -0.043 54.849 54.840 0.086 0.000 1.098 36 L CB -0.889 41.241 42.059 0.119 0.000 2.064 36 L HN 0.248 nan 8.230 nan 0.000 0.522 37 G N -0.007 108.779 108.800 -0.023 0.000 2.652 37 G HA2 -0.360 3.602 3.960 0.002 0.000 0.318 37 G HA3 -0.360 3.602 3.960 0.002 0.000 0.318 37 G C 0.465 175.205 174.900 -0.266 0.000 1.295 37 G CA 0.563 45.587 45.100 -0.127 0.000 0.999 37 G HN 0.649 nan 8.290 nan 0.000 0.548 38 R N 0.521 120.778 120.500 -0.404 0.000 2.586 38 R HA 0.401 4.742 4.340 0.002 0.000 0.306 38 R C 2.147 178.351 176.300 -0.160 0.000 1.079 38 R CA 0.500 56.120 56.100 -0.801 0.000 1.083 38 R CB 0.177 29.954 30.300 -0.871 0.000 1.306 38 R HN 0.303 nan 8.270 nan 0.000 0.567 39 S N 0.141 115.873 115.700 0.053 0.000 2.371 39 S HA 0.002 4.473 4.470 0.002 0.000 0.224 39 S C 0.810 175.658 174.600 0.413 0.000 1.029 39 S CA 0.660 58.969 58.200 0.181 0.000 0.978 39 S CB 0.406 63.618 63.200 0.021 0.000 0.833 39 S HN 0.041 nan 8.310 nan 0.000 0.466 40 V N 2.025 122.215 119.914 0.461 0.000 2.524 40 V HA 0.487 4.608 4.120 0.002 0.000 0.297 40 V C -0.637 175.650 176.094 0.322 0.000 1.035 40 V CA -0.878 61.648 62.300 0.377 0.000 0.867 40 V CB 1.763 33.684 31.823 0.164 0.000 1.004 40 V HN 0.316 nan 8.190 nan 0.000 0.426 41 S N 5.390 121.198 115.700 0.181 0.000 2.501 41 S HA 0.916 5.387 4.470 0.002 0.000 0.301 41 S C -1.043 173.544 174.600 -0.021 0.000 1.096 41 S CA -0.693 57.371 58.200 -0.227 0.000 1.063 41 S CB 1.886 64.766 63.200 -0.533 0.000 1.042 41 S HN 0.390 nan 8.310 nan 0.000 0.494 42 L N 1.914 123.127 121.223 -0.016 0.000 2.342 42 L HA 0.605 4.946 4.340 0.002 0.000 0.271 42 L C -0.139 176.856 176.870 0.208 0.000 1.008 42 L CA -0.255 54.683 54.840 0.164 0.000 0.818 42 L CB 1.933 44.084 42.059 0.154 0.000 1.296 42 L HN 0.798 nan 8.230 nan 0.000 0.427 43 Q N 2.310 122.236 119.800 0.210 0.000 2.274 43 Q HA 0.564 4.905 4.340 0.002 0.000 0.268 43 Q C -1.349 174.678 176.000 0.044 0.000 1.015 43 Q CA -0.528 55.380 55.803 0.175 0.000 0.775 43 Q CB 2.524 31.405 28.738 0.238 0.000 1.256 43 Q HN 0.458 nan 8.270 nan 0.000 0.442 44 L N 3.174 124.325 121.223 -0.120 0.000 2.436 44 L HA 0.443 4.784 4.340 0.002 0.000 0.265 44 L C -0.226 176.668 176.870 0.040 0.000 1.168 44 L CA -0.213 54.467 54.840 -0.267 0.000 0.815 44 L CB 0.511 42.132 42.059 -0.731 0.000 1.109 44 L HN 0.505 nan 8.230 nan 0.000 0.462 45 I N 1.143 121.706 120.570 -0.012 0.000 2.465 45 I HA 0.166 4.338 4.170 0.002 0.000 0.291 45 I C 0.106 176.355 176.117 0.220 0.000 1.014 45 I CA -0.234 61.095 61.300 0.048 0.000 1.093 45 I CB 2.075 39.878 38.000 -0.329 0.000 1.267 45 I HN 0.502 nan 8.210 nan 0.000 0.431 46 S N 3.648 119.561 115.700 0.355 0.000 2.549 46 S HA 0.394 4.866 4.470 0.002 0.000 0.279 46 S C 0.977 175.725 174.600 0.247 0.000 1.321 46 S CA -0.005 58.415 58.200 0.366 0.000 1.054 46 S CB 1.218 64.579 63.200 0.267 0.000 0.899 46 S HN 0.735 nan 8.310 nan 0.000 0.497 47 A N 3.198 126.152 122.820 0.223 0.000 2.195 47 A HA 0.159 4.480 4.320 0.002 0.000 0.210 47 A C 1.840 179.489 177.584 0.108 0.000 1.165 47 A CA 0.967 53.105 52.037 0.169 0.000 0.806 47 A CB -0.350 18.753 19.000 0.171 0.000 0.847 47 A HN 0.946 nan 8.150 nan 0.000 0.482 48 T N -4.517 110.107 114.554 0.116 0.000 2.959 48 T HA 0.279 4.630 4.350 0.002 0.000 0.254 48 T C 0.343 175.073 174.700 0.050 0.000 1.003 48 T CA -0.156 61.985 62.100 0.068 0.000 0.950 48 T CB 0.254 69.164 68.868 0.071 0.000 1.090 48 T HN 0.027 nan 8.240 nan 0.000 0.503 49 K N 1.668 122.103 120.400 0.059 0.000 2.376 49 K HA 0.835 5.157 4.320 0.002 0.000 0.257 49 K C -0.950 175.667 176.600 0.027 0.000 0.939 49 K CA -0.430 55.869 56.287 0.019 0.000 0.809 49 K CB 2.200 34.686 32.500 -0.023 0.000 1.121 49 K HN 0.335 nan 8.250 nan 0.000 0.425 50 A N 2.148 124.976 122.820 0.014 0.000 2.330 50 A HA 0.559 4.880 4.320 0.002 0.000 0.329 50 A C -0.351 177.238 177.584 0.008 0.000 1.135 50 A CA -0.661 51.388 52.037 0.021 0.000 0.817 50 A CB 0.697 19.702 19.000 0.008 0.000 1.269 50 A HN 0.765 nan 8.150 nan 0.000 0.469 51 D N 0.320 120.735 120.400 0.024 0.000 2.398 51 D HA 0.403 5.045 4.640 0.002 0.000 0.264 51 D C 1.114 177.397 176.300 -0.030 0.000 1.263 51 D CA 0.177 54.184 54.000 0.013 0.000 1.037 51 D CB 0.286 41.123 40.800 0.062 0.000 1.101 51 D HN 0.480 nan 8.370 nan 0.000 0.551 52 A N -1.315 121.448 122.820 -0.096 0.000 2.172 52 A HA -0.155 4.166 4.320 0.002 0.000 0.216 52 A C 1.408 178.817 177.584 -0.291 0.000 1.154 52 A CA 0.928 52.840 52.037 -0.209 0.000 0.701 52 A CB -0.781 18.047 19.000 -0.287 0.000 0.789 52 A HN 0.599 nan 8.150 nan 0.000 0.465 53 H N -1.466 117.595 119.070 -0.015 0.000 2.549 53 H HA 0.262 4.819 4.556 0.002 0.000 0.279 53 H C 1.628 176.929 175.328 -0.045 0.000 1.018 53 H CA 0.495 56.527 56.048 -0.026 0.000 1.175 53 H CB 0.153 29.901 29.762 -0.024 0.000 1.485 53 H HN 0.588 nan 8.280 nan 0.000 0.543 54 G N 1.577 110.395 108.800 0.030 0.000 2.162 54 G HA2 -0.295 3.666 3.960 0.002 0.000 0.260 54 G HA3 -0.295 3.666 3.960 0.002 0.000 0.260 54 G C 0.225 175.101 174.900 -0.040 0.000 0.976 54 G CA 0.086 45.182 45.100 -0.007 0.000 0.655 54 G HN 0.311 nan 8.290 nan 0.000 0.533 55 K N 0.702 121.078 120.400 -0.040 0.000 2.172 55 K HA 0.523 4.845 4.320 0.002 0.000 0.276 55 K C 1.114 177.729 176.600 0.024 0.000 1.013 55 K CA -0.086 56.109 56.287 -0.153 0.000 0.913 55 K CB 1.200 33.559 32.500 -0.236 0.000 1.055 55 K HN 0.318 nan 8.250 nan 0.000 0.461 56 G N 2.952 111.836 108.800 0.140 0.000 2.224 56 G HA2 -0.111 3.850 3.960 0.002 0.000 0.239 56 G HA3 -0.111 3.850 3.960 0.002 0.000 0.239 56 G C -0.300 174.759 174.900 0.265 0.000 1.240 56 G CA -0.189 45.073 45.100 0.269 0.000 0.896 56 G HN 0.503 nan 8.290 nan 0.000 0.496 57 K N 0.544 121.032 120.400 0.147 0.000 2.414 57 K HA 0.187 4.509 4.320 0.002 0.000 0.272 57 K C -0.008 176.675 176.600 0.138 0.000 0.993 57 K CA -0.122 56.222 56.287 0.094 0.000 0.964 57 K CB 1.093 33.575 32.500 -0.031 0.000 0.925 57 K HN 0.191 nan 8.250 nan 0.000 0.487 58 V N 1.993 121.992 119.914 0.143 0.000 2.513 58 V HA 0.304 4.425 4.120 0.002 0.000 0.299 58 V C 0.831 177.022 176.094 0.162 0.000 1.035 58 V CA -0.741 61.672 62.300 0.189 0.000 0.889 58 V CB 1.659 33.630 31.823 0.246 0.000 0.988 58 V HN 0.979 nan 8.190 nan 0.000 0.440 59 G N 2.991 111.949 108.800 0.263 0.000 2.535 59 G HA2 0.349 4.310 3.960 0.002 0.000 0.282 59 G HA3 0.349 4.310 3.960 0.002 0.000 0.282 59 G C -0.250 174.771 174.900 0.203 0.000 1.350 59 G CA -0.717 44.553 45.100 0.284 0.000 1.039 59 G HN 0.654 nan 8.290 nan 0.000 0.509 60 K N 0.322 120.840 120.400 0.198 0.000 2.202 60 K HA 0.119 4.440 4.320 0.002 0.000 0.264 60 K C -0.519 176.158 176.600 0.129 0.000 1.010 60 K CA -0.361 56.012 56.287 0.143 0.000 0.940 60 K CB 0.695 33.272 32.500 0.127 0.000 0.983 60 K HN 0.366 nan 8.250 nan 0.000 0.475 61 D N 2.155 122.593 120.400 0.063 0.000 2.487 61 D HA -0.001 4.641 4.640 0.002 0.000 0.243 61 D C -0.508 175.690 176.300 -0.170 0.000 1.154 61 D CA 0.879 54.840 54.000 -0.066 0.000 0.876 61 D CB 0.695 41.440 40.800 -0.093 0.000 1.161 61 D HN 0.336 nan 8.370 nan 0.000 0.478 62 T N 2.868 117.259 114.554 -0.271 0.000 2.881 62 T HA 0.397 4.748 4.350 0.002 0.000 0.290 62 T C -0.200 174.234 174.700 -0.444 0.000 1.000 62 T CA -0.580 61.365 62.100 -0.259 0.000 0.978 62 T CB 0.698 69.450 68.868 -0.194 0.000 0.997 62 T HN 0.057 nan 8.240 nan 0.000 0.443 63 F N 1.221 121.145 119.950 -0.043 0.000 2.450 63 F HA 0.552 5.081 4.527 0.002 0.000 0.328 63 F C 0.600 176.345 175.800 -0.092 0.000 1.068 63 F CA -1.421 56.559 58.000 -0.032 0.000 1.007 63 F CB 0.731 39.728 39.000 -0.006 0.000 1.251 63 F HN 0.243 nan 8.300 nan 0.000 0.492 64 L N 1.664 122.959 121.223 0.121 0.000 2.455 64 L HA 0.072 4.414 4.340 0.002 0.000 0.272 64 L C 0.815 177.733 176.870 0.080 0.000 1.174 64 L CA 0.350 55.200 54.840 0.017 0.000 0.869 64 L CB 0.474 42.471 42.059 -0.103 0.000 1.130 64 L HN 0.776 nan 8.230 nan 0.000 0.474 65 E N 1.672 121.913 120.200 0.068 0.000 2.216 65 E HA 0.208 4.559 4.350 0.002 0.000 0.192 65 E C 0.689 177.349 176.600 0.099 0.000 0.973 65 E CA 0.291 56.736 56.400 0.075 0.000 0.851 65 E CB 0.586 30.324 29.700 0.064 0.000 0.804 65 E HN 0.833 nan 8.360 nan 0.000 0.477 66 G N 0.276 109.162 108.800 0.143 0.000 2.368 66 G HA2 0.378 4.339 3.960 0.002 0.000 0.293 66 G HA3 0.378 4.339 3.960 0.002 0.000 0.293 66 G C -1.599 173.352 174.900 0.084 0.000 1.467 66 G CA -1.076 44.098 45.100 0.123 0.000 0.804 66 G HN -0.039 nan 8.290 nan 0.000 0.535 67 I N 1.511 122.047 120.570 -0.057 0.000 2.441 67 I HA 0.213 4.384 4.170 0.002 0.000 0.287 67 I C 0.303 176.279 176.117 -0.236 0.000 1.049 67 I CA -0.636 60.462 61.300 -0.337 0.000 1.381 67 I CB 1.306 39.096 38.000 -0.350 0.000 1.409 67 I HN 0.346 nan 8.210 nan 0.000 0.523 68 N N 4.301 122.827 118.700 -0.289 0.000 2.437 68 N HA 0.085 4.827 4.740 0.002 0.000 0.243 68 N C 0.299 175.698 175.510 -0.186 0.000 1.041 68 N CA 0.197 53.137 53.050 -0.183 0.000 0.940 68 N CB 1.076 39.473 38.487 -0.151 0.000 1.133 68 N HN 0.627 nan 8.380 nan 0.000 0.506 69 T N 1.108 115.583 114.554 -0.133 0.000 3.145 69 T HA 0.181 4.532 4.350 0.002 0.000 0.255 69 T C 0.930 175.583 174.700 -0.078 0.000 1.039 69 T CA 0.120 62.152 62.100 -0.113 0.000 0.928 69 T CB 0.198 69.008 68.868 -0.097 0.000 1.029 69 T HN 0.392 nan 8.240 nan 0.000 0.554 70 S N 0.820 116.478 115.700 -0.070 0.000 2.486 70 S HA 0.350 4.821 4.470 0.002 0.000 0.220 70 S C 0.561 175.135 174.600 -0.044 0.000 1.011 70 S CA -0.079 58.092 58.200 -0.048 0.000 0.921 70 S CB 0.034 63.211 63.200 -0.038 0.000 0.785 70 S HN 0.468 nan 8.310 nan 0.000 0.517 71 L N 3.271 124.461 121.223 -0.054 0.000 2.407 71 L HA 0.186 4.527 4.340 0.002 0.000 0.282 71 L C -1.650 175.197 176.870 -0.038 0.000 1.110 71 L CA -1.281 53.533 54.840 -0.043 0.000 0.863 71 L CB 0.054 42.082 42.059 -0.051 0.000 1.207 71 L HN 0.047 nan 8.230 nan 0.000 0.454 72 P HA -0.044 nan 4.420 nan 0.000 0.220 72 P C 0.564 177.855 177.300 -0.015 0.000 1.152 72 P CA 0.669 63.757 63.100 -0.020 0.000 0.812 72 P CB 0.161 31.854 31.700 -0.013 0.000 0.792 73 T N 2.168 116.716 114.554 -0.010 0.000 2.776 73 T HA 0.383 4.734 4.350 0.002 0.000 0.292 73 T C -0.070 174.626 174.700 -0.008 0.000 0.921 73 T CA 0.349 62.448 62.100 -0.002 0.000 1.038 73 T CB -0.668 68.206 68.868 0.010 0.000 0.910 73 T HN -0.093 nan 8.240 nan 0.000 0.536 74 L N 2.092 123.309 121.223 -0.009 0.000 2.472 74 L HA 0.587 4.928 4.340 0.002 0.000 0.260 74 L C 0.885 177.755 176.870 0.000 0.000 0.963 74 L CA -1.300 53.534 54.840 -0.011 0.000 0.829 74 L CB 2.049 44.088 42.059 -0.033 0.000 1.348 74 L HN 0.630 nan 8.230 nan 0.000 0.408 75 G N 0.997 109.804 108.800 0.011 0.000 2.667 75 G HA2 0.437 4.398 3.960 0.002 0.000 0.250 75 G HA3 0.437 4.398 3.960 0.002 0.000 0.250 75 G C 0.157 175.065 174.900 0.013 0.000 1.212 75 G CA 0.063 45.175 45.100 0.019 0.000 0.874 75 G HN 0.789 nan 8.290 nan 0.000 0.561 76 A N -0.819 122.013 122.820 0.019 0.000 2.531 76 A HA 0.511 4.832 4.320 0.002 0.000 0.236 76 A C 1.722 179.318 177.584 0.021 0.000 1.062 76 A CA 1.257 53.305 52.037 0.018 0.000 0.760 76 A CB -0.359 18.655 19.000 0.025 0.000 0.995 76 A HN 2.617 nan 8.150 nan 0.000 0.501 77 G N 1.245 110.055 108.800 0.018 0.000 2.184 77 G HA2 -0.234 3.728 3.960 0.002 0.000 0.264 77 G HA3 -0.234 3.728 3.960 0.002 0.000 0.264 77 G C 0.060 174.967 174.900 0.013 0.000 0.975 77 G CA 0.762 45.876 45.100 0.025 0.000 0.642 77 G HN 0.906 nan 8.290 nan 0.000 0.536 78 E N 0.477 120.675 120.200 -0.003 0.000 2.231 78 E HA 0.631 4.982 4.350 0.002 0.000 0.277 78 E C -0.383 176.174 176.600 -0.072 0.000 0.999 78 E CA -0.197 56.190 56.400 -0.021 0.000 0.827 78 E CB 1.425 31.119 29.700 -0.009 0.000 1.101 78 E HN 0.145 nan 8.360 nan 0.000 0.393 79 S N 0.908 116.541 115.700 -0.111 0.000 2.526 79 S HA 0.678 5.150 4.470 0.002 0.000 0.293 79 S C -1.012 173.429 174.600 -0.266 0.000 1.092 79 S CA -0.757 57.302 58.200 -0.234 0.000 0.980 79 S CB 1.783 64.796 63.200 -0.311 0.000 1.048 79 S HN 0.582 nan 8.310 nan 0.000 0.483 80 A N 2.110 124.693 122.820 -0.395 0.000 2.337 80 A HA 0.899 5.220 4.320 0.002 0.000 0.329 80 A C -1.314 175.929 177.584 -0.567 0.000 1.146 80 A CA -0.472 51.383 52.037 -0.304 0.000 0.800 80 A CB 0.387 19.272 19.000 -0.193 0.000 1.220 80 A HN 0.648 nan 8.150 nan 0.000 0.472 81 F N 1.193 121.042 119.950 -0.167 0.000 2.565 81 F HA 0.368 4.897 4.527 0.002 0.000 0.313 81 F C 0.200 175.907 175.800 -0.155 0.000 1.091 81 F CA -0.811 57.098 58.000 -0.153 0.000 0.915 81 F CB 2.111 41.009 39.000 -0.170 0.000 1.208 81 F HN 0.483 nan 8.300 nan 0.000 0.453 82 N N 3.070 121.787 118.700 0.029 0.000 2.514 82 N HA 0.542 5.283 4.740 0.002 0.000 0.277 82 N C -1.107 174.333 175.510 -0.117 0.000 1.126 82 N CA -0.112 52.894 53.050 -0.073 0.000 0.978 82 N CB 2.037 40.508 38.487 -0.027 0.000 1.106 82 N HN 0.680 nan 8.380 nan 0.000 0.461 83 I N 0.967 121.348 120.570 -0.314 0.000 2.722 83 I HA 0.252 4.423 4.170 0.002 0.000 0.292 83 I C -1.529 174.173 176.117 -0.693 0.000 1.267 83 I CA -0.651 60.388 61.300 -0.435 0.000 1.036 83 I CB 1.556 39.253 38.000 -0.506 0.000 1.281 83 I HN 0.507 nan 8.210 nan 0.000 0.423 84 H N 6.316 125.097 119.070 -0.481 0.000 2.547 84 H HA 0.524 5.081 4.556 0.002 0.000 0.342 84 H C -1.488 173.573 175.328 -0.446 0.000 1.048 84 H CA -0.174 55.652 56.048 -0.370 0.000 1.204 84 H CB 1.599 31.244 29.762 -0.196 0.000 1.493 84 H HN 0.299 nan 8.280 nan 0.000 0.511 85 F N 1.151 121.103 119.950 0.003 0.000 2.436 85 F HA 0.259 4.787 4.527 0.002 0.000 0.340 85 F C 0.687 176.530 175.800 0.072 0.000 1.113 85 F CA -0.856 57.146 58.000 0.003 0.000 1.022 85 F CB 1.185 40.129 39.000 -0.093 0.000 1.128 85 F HN 0.447 nan 8.300 nan 0.000 0.466 86 E N 2.762 123.126 120.200 0.273 0.000 2.384 86 E HA -0.063 4.289 4.350 0.002 0.000 0.266 86 E C -0.650 176.182 176.600 0.386 0.000 1.012 86 E CA 0.231 56.767 56.400 0.227 0.000 0.901 86 E CB 0.934 30.714 29.700 0.133 0.000 0.967 86 E HN 0.686 nan 8.360 nan 0.000 0.435 87 W N 4.386 125.673 121.300 -0.021 0.000 1.177 87 W HA 0.110 4.772 4.660 0.002 0.000 0.309 87 W C -1.273 175.165 176.519 -0.135 0.000 0.863 87 W CA -0.479 56.839 57.345 -0.044 0.000 1.725 87 W CB 0.694 30.158 29.460 0.007 0.000 1.770 87 W HN 0.521 nan 8.180 nan 0.000 0.479 88 D N 0.439 120.657 120.400 -0.303 0.000 2.229 88 D HA 0.597 5.238 4.640 0.002 0.000 0.249 88 D C 0.853 176.755 176.300 -0.663 0.000 1.027 88 D CA 0.908 54.502 54.000 -0.675 0.000 0.923 88 D CB 1.999 41.937 40.800 -1.436 0.000 1.174 88 D HN 0.342 nan 8.370 nan 0.000 0.443 89 G N 0.702 109.201 108.800 -0.503 0.000 2.627 89 G HA2 -0.166 3.796 3.960 0.002 0.000 0.214 89 G HA3 -0.166 3.796 3.960 0.002 0.000 0.214 89 G C -0.235 174.569 174.900 -0.161 0.000 1.331 89 G CA -0.138 44.862 45.100 -0.166 0.000 0.891 89 G HN 0.760 nan 8.290 nan 0.000 0.539 90 S N -0.239 115.387 115.700 -0.122 0.000 3.729 90 S HA 0.520 4.991 4.470 0.002 0.000 0.235 90 S C 1.322 175.791 174.600 -0.218 0.000 1.367 90 S CA 0.013 58.144 58.200 -0.115 0.000 0.907 90 S CB 0.490 63.660 63.200 -0.050 0.000 1.471 90 S HN 0.569 nan 8.310 nan 0.000 0.476 91 M N 1.786 121.144 119.600 -0.403 0.000 2.502 91 M HA 0.221 4.703 4.480 0.002 0.000 0.243 91 M C 1.601 177.731 176.300 -0.284 0.000 1.130 91 M CA 0.825 55.716 55.300 -0.683 0.000 1.055 91 M CB -1.531 30.000 32.600 -1.781 0.000 1.457 91 M HN 0.900 nan 8.290 nan 0.000 0.488 92 G N 2.009 110.783 108.800 -0.043 0.000 2.550 92 G HA2 -0.246 3.715 3.960 0.002 0.000 0.277 92 G HA3 -0.246 3.715 3.960 0.002 0.000 0.277 92 G C -0.127 175.027 174.900 0.423 0.000 1.190 92 G CA -0.436 44.757 45.100 0.156 0.000 0.971 92 G HN 0.294 nan 8.290 nan 0.000 0.559 93 I N 2.313 123.087 120.570 0.341 0.000 2.406 93 I HA 0.415 4.587 4.170 0.002 0.000 0.290 93 I C -2.202 174.080 176.117 0.276 0.000 0.999 93 I CA -2.566 58.907 61.300 0.288 0.000 1.124 93 I CB 1.374 39.464 38.000 0.150 0.000 1.289 93 I HN 0.147 nan 8.210 nan 0.000 0.441 94 P HA 0.197 nan 4.420 nan 0.000 0.268 94 P C 0.727 178.123 177.300 0.160 0.000 1.204 94 P CA 0.185 63.314 63.100 0.049 0.000 0.768 94 P CB 0.841 32.350 31.700 -0.318 0.000 0.842 95 G N 0.950 109.878 108.800 0.214 0.000 3.215 95 G HA2 0.535 4.496 3.960 0.002 0.000 0.236 95 G HA3 0.535 4.496 3.960 0.002 0.000 0.236 95 G C -0.029 175.053 174.900 0.302 0.000 1.029 95 G CA 0.459 45.707 45.100 0.248 0.000 0.909 95 G HN 0.761 nan 8.290 nan 0.000 0.543 96 A N -0.287 122.683 122.820 0.250 0.000 2.581 96 A HA 0.853 5.174 4.320 0.002 0.000 0.290 96 A C -1.693 175.849 177.584 -0.069 0.000 1.119 96 A CA -0.795 51.251 52.037 0.016 0.000 0.670 96 A CB 0.954 19.573 19.000 -0.635 0.000 1.280 96 A HN 1.048 nan 8.150 nan 0.000 0.425 97 F N -2.133 117.544 119.950 -0.455 0.000 2.645 97 F HA 0.836 5.364 4.527 0.002 0.000 0.310 97 F C -1.793 173.735 175.800 -0.455 0.000 1.102 97 F CA -1.206 56.496 58.000 -0.497 0.000 0.952 97 F CB 0.863 39.536 39.000 -0.545 0.000 1.326 97 F HN 0.490 nan 8.300 nan 0.000 0.456 98 Y N 2.670 122.912 120.300 -0.097 0.000 2.352 98 Y HA 0.696 5.247 4.550 0.002 0.000 0.326 98 Y C -0.186 175.788 175.900 0.123 0.000 1.166 98 Y CA -1.332 56.691 58.100 -0.128 0.000 1.182 98 Y CB 1.745 40.141 38.460 -0.107 0.000 1.216 98 Y HN 0.784 nan 8.280 nan 0.000 0.474 99 I N 2.766 123.500 120.570 0.274 0.000 2.647 99 I HA 0.469 4.640 4.170 0.002 0.000 0.295 99 I C -1.555 174.649 176.117 0.145 0.000 1.078 99 I CA -0.811 60.666 61.300 0.294 0.000 1.048 99 I CB 1.529 39.802 38.000 0.455 0.000 1.239 99 I HN 0.545 nan 8.210 nan 0.000 0.421 100 K N 4.899 125.346 120.400 0.078 0.000 2.426 100 K HA 0.323 4.644 4.320 0.002 0.000 0.254 100 K C -1.172 175.353 176.600 -0.124 0.000 0.936 100 K CA -0.835 55.387 56.287 -0.108 0.000 0.801 100 K CB 1.650 33.967 32.500 -0.306 0.000 1.139 100 K HN 0.425 nan 8.250 nan 0.000 0.424 101 N N 2.572 121.219 118.700 -0.088 0.000 2.457 101 N HA 0.118 4.859 4.740 0.002 0.000 0.250 101 N C -0.478 174.969 175.510 -0.105 0.000 0.982 101 N CA -0.168 52.916 53.050 0.057 0.000 0.941 101 N CB 0.437 38.968 38.487 0.073 0.000 1.120 101 N HN 0.477 nan 8.380 nan 0.000 0.505 102 Y N 1.941 122.342 120.300 0.170 0.000 2.490 102 Y HA 0.257 4.808 4.550 0.002 0.000 0.281 102 Y C 0.875 176.806 175.900 0.051 0.000 1.174 102 Y CA 0.079 58.241 58.100 0.103 0.000 1.295 102 Y CB -0.016 38.514 38.460 0.116 0.000 1.062 102 Y HN 0.384 nan 8.280 nan 0.000 0.522 103 M N 0.064 119.761 119.600 0.161 0.000 2.228 103 M HA 0.016 4.497 4.480 0.002 0.000 0.326 103 M C 1.342 177.661 176.300 0.031 0.000 1.122 103 M CA -0.132 55.202 55.300 0.057 0.000 1.161 103 M CB 0.680 33.273 32.600 -0.012 0.000 1.437 103 M HN 0.026 nan 8.290 nan 0.000 0.465 104 Q N 0.709 120.510 119.800 0.002 0.000 2.119 104 Q HA 0.050 4.392 4.340 0.002 0.000 0.201 104 Q C 0.084 176.072 176.000 -0.020 0.000 0.972 104 Q CA 0.927 56.726 55.803 -0.007 0.000 0.847 104 Q CB -0.196 28.538 28.738 -0.008 0.000 0.903 104 Q HN 0.553 nan 8.270 nan 0.000 0.433 105 V N 3.260 123.166 119.914 -0.013 0.000 2.481 105 V HA 0.083 4.204 4.120 0.002 0.000 0.286 105 V C 0.457 176.540 176.094 -0.017 0.000 1.042 105 V CA -0.901 61.388 62.300 -0.017 0.000 0.928 105 V CB 1.493 33.332 31.823 0.027 0.000 0.986 105 V HN 0.254 nan 8.190 nan 0.000 0.462 106 E N 4.567 124.653 120.200 -0.189 0.000 2.404 106 E HA 0.186 4.537 4.350 0.002 0.000 0.261 106 E C -0.972 175.750 176.600 0.203 0.000 1.074 106 E CA -0.081 56.148 56.400 -0.285 0.000 0.917 106 E CB 0.956 30.044 29.700 -1.021 0.000 0.965 106 E HN 0.507 nan 8.360 nan 0.000 0.433 107 F N -0.473 119.672 119.950 0.324 0.000 2.620 107 F HA 0.634 5.162 4.527 0.002 0.000 0.320 107 F C -1.227 174.667 175.800 0.156 0.000 1.069 107 F CA -2.083 56.129 58.000 0.353 0.000 0.953 107 F CB 0.860 40.074 39.000 0.357 0.000 1.322 107 F HN 0.289 nan 8.300 nan 0.000 0.479 108 F N 3.436 123.295 119.950 -0.152 0.000 2.371 108 F HA 0.564 5.093 4.527 0.002 0.000 0.363 108 F C -0.773 174.963 175.800 -0.107 0.000 1.122 108 F CA -1.181 56.428 58.000 -0.652 0.000 1.129 108 F CB 1.008 39.244 39.000 -1.274 0.000 1.173 108 F HN 0.582 nan 8.300 nan 0.000 0.489 109 L N 7.876 128.823 121.223 -0.460 0.000 2.313 109 L HA 0.303 4.644 4.340 0.002 0.000 0.282 109 L C 0.726 177.221 176.870 -0.624 0.000 1.092 109 L CA 0.238 54.893 54.840 -0.309 0.000 0.831 109 L CB 0.566 42.483 42.059 -0.238 0.000 1.159 109 L HN 0.591 nan 8.230 nan 0.000 0.442 110 K N 2.347 122.538 120.400 -0.349 0.000 2.099 110 K HA 0.245 4.566 4.320 0.002 0.000 0.203 110 K C 0.171 176.666 176.600 -0.175 0.000 1.047 110 K CA 0.961 57.094 56.287 -0.256 0.000 0.963 110 K CB 0.063 32.520 32.500 -0.072 0.000 0.759 110 K HN 0.781 nan 8.250 nan 0.000 0.451 111 S N -0.346 115.274 115.700 -0.133 0.000 2.565 111 S HA 0.465 4.937 4.470 0.002 0.000 0.274 111 S C -1.683 172.866 174.600 -0.086 0.000 1.144 111 S CA -1.160 57.007 58.200 -0.055 0.000 0.849 111 S CB 1.111 64.310 63.200 -0.003 0.000 1.103 111 S HN 0.026 nan 8.310 nan 0.000 0.455 112 L N 1.339 122.532 121.223 -0.050 0.000 2.365 112 L HA 0.883 5.224 4.340 0.002 0.000 0.273 112 L C -0.892 175.999 176.870 0.035 0.000 1.000 112 L CA 0.231 54.948 54.840 -0.205 0.000 0.819 112 L CB 2.116 43.701 42.059 -0.789 0.000 1.284 112 L HN 0.956 nan 8.230 nan 0.000 0.418 113 T N 5.915 120.453 114.554 -0.026 0.000 2.841 113 T HA 0.590 4.942 4.350 0.002 0.000 0.285 113 T C -0.600 174.094 174.700 -0.011 0.000 0.991 113 T CA -0.329 61.781 62.100 0.017 0.000 0.966 113 T CB 0.984 69.833 68.868 -0.032 0.000 0.962 113 T HN 0.450 nan 8.240 nan 0.000 0.438 114 L N 3.181 124.423 121.223 0.031 0.000 2.307 114 L HA 0.553 4.894 4.340 0.002 0.000 0.284 114 L C 0.309 177.171 176.870 -0.013 0.000 1.023 114 L CA -0.810 54.027 54.840 -0.005 0.000 0.810 114 L CB 1.556 43.609 42.059 -0.010 0.000 1.231 114 L HN 0.565 nan 8.230 nan 0.000 0.423 115 E N 2.103 122.298 120.200 -0.008 0.000 2.202 115 E HA 0.711 5.062 4.350 0.002 0.000 0.272 115 E C -0.020 176.602 176.600 0.037 0.000 0.951 115 E CA -0.496 55.908 56.400 0.007 0.000 0.813 115 E CB 2.011 31.716 29.700 0.008 0.000 1.151 115 E HN 0.740 nan 8.360 nan 0.000 0.398 122 T N 1.253 115.791 114.554 -0.027 0.000 2.886 122 T HA 0.668 5.019 4.350 0.002 0.000 0.292 122 T C -0.955 173.706 174.700 -0.063 0.000 1.012 122 T CA -0.213 61.859 62.100 -0.046 0.000 0.982 122 T CB 2.216 71.040 68.868 -0.073 0.000 1.018 122 T HN 0.196 nan 8.240 nan 0.000 0.451 123 I N 2.872 123.404 120.570 -0.064 0.000 2.406 123 I HA 0.497 4.668 4.170 0.002 0.000 0.290 123 I C 0.141 176.155 176.117 -0.171 0.000 0.999 123 I CA -0.836 60.384 61.300 -0.134 0.000 1.124 123 I CB 1.581 39.525 38.000 -0.093 0.000 1.289 123 I HN 0.294 nan 8.210 nan 0.000 0.441 124 R N 5.471 125.762 120.500 -0.349 0.000 2.514 124 R HA 0.659 5.001 4.340 0.002 0.000 0.301 124 R C -1.588 174.475 176.300 -0.395 0.000 0.962 124 R CA -0.680 55.276 56.100 -0.240 0.000 0.882 124 R CB 1.885 32.033 30.300 -0.254 0.000 1.143 124 R HN 0.328 nan 8.270 nan 0.000 0.452 125 F N 1.276 121.192 119.950 -0.056 0.000 2.477 125 F HA 0.328 4.856 4.527 0.002 0.000 0.335 125 F C -0.130 175.687 175.800 0.029 0.000 1.130 125 F CA -1.027 56.995 58.000 0.038 0.000 0.948 125 F CB 1.772 40.897 39.000 0.208 0.000 1.154 125 F HN 0.056 nan 8.300 nan 0.000 0.439 126 V N 3.222 123.250 119.914 0.190 0.000 2.333 126 V HA 0.165 4.286 4.120 0.002 0.000 0.274 126 V C 0.037 176.208 176.094 0.128 0.000 1.028 126 V CA -0.263 62.119 62.300 0.138 0.000 0.851 126 V CB 0.698 32.610 31.823 0.149 0.000 1.000 126 V HN 1.103 nan 8.190 nan 0.000 0.456 127 C N 2.187 121.481 119.300 -0.011 0.000 2.519 127 C HA 0.147 4.609 4.460 0.002 0.000 0.297 127 C C 1.256 176.184 174.990 -0.103 0.000 1.414 127 C CA -0.450 58.475 59.018 -0.154 0.000 1.893 127 C CB -0.582 26.724 27.740 -0.723 0.000 2.134 127 C HN 0.925 nan 8.230 nan 0.000 0.580 128 N N 1.834 120.365 118.700 -0.282 0.000 2.678 128 N HA -0.163 4.579 4.740 0.002 0.000 0.268 128 N C -0.437 174.853 175.510 -0.366 0.000 1.010 128 N CA 1.323 54.141 53.050 -0.387 0.000 0.784 128 N CB -0.721 37.827 38.487 0.101 0.000 0.905 128 N HN 0.669 nan 8.380 nan 0.000 0.552 129 S N -0.562 114.693 115.700 -0.742 0.000 2.546 129 S HA 0.508 4.979 4.470 0.002 0.000 0.272 129 S C -0.933 173.577 174.600 -0.151 0.000 1.140 129 S CA -0.836 57.312 58.200 -0.086 0.000 0.920 129 S CB 0.739 64.134 63.200 0.325 0.000 1.083 129 S HN 0.301 nan 8.310 nan 0.000 0.476 130 W N 2.994 124.491 121.300 0.327 0.000 2.216 130 W HA 0.457 5.119 4.660 0.002 0.000 0.326 130 W C -0.210 176.456 176.519 0.243 0.000 1.319 130 W CA -0.348 57.186 57.345 0.316 0.000 1.213 130 W CB 0.751 30.478 29.460 0.446 0.000 1.171 130 W HN 0.378 nan 8.180 nan 0.000 0.557 131 V N 5.637 125.649 119.914 0.164 0.000 2.326 131 V HA 0.195 4.316 4.120 0.002 0.000 0.281 131 V C -0.355 175.708 176.094 -0.052 0.000 1.015 131 V CA -1.216 61.119 62.300 0.059 0.000 0.823 131 V CB -0.415 31.211 31.823 -0.328 0.000 1.009 131 V HN 0.335 nan 8.190 nan 0.000 0.436 132 Y N 2.266 122.645 120.300 0.133 0.000 2.295 132 Y HA 0.211 4.762 4.550 0.002 0.000 0.331 132 Y C 1.294 177.060 175.900 -0.224 0.000 1.311 132 Y CA -0.375 57.636 58.100 -0.149 0.000 1.430 132 Y CB 0.465 38.679 38.460 -0.410 0.000 1.339 132 Y HN 0.615 nan 8.280 nan 0.000 0.552 133 N N 0.433 119.066 118.700 -0.113 0.000 2.356 133 N HA -0.150 4.591 4.740 0.002 0.000 0.252 133 N C 1.130 176.530 175.510 -0.184 0.000 1.241 133 N CA 0.789 53.766 53.050 -0.120 0.000 0.861 133 N CB 1.068 39.496 38.487 -0.099 0.000 1.075 133 N HN 0.861 nan 8.380 nan 0.000 0.461 134 T N 3.206 117.694 114.554 -0.111 0.000 2.778 134 T HA -0.113 4.239 4.350 0.002 0.000 0.269 134 T C 1.454 176.118 174.700 -0.061 0.000 1.050 134 T CA 1.460 63.526 62.100 -0.057 0.000 1.137 134 T CB 0.026 68.766 68.868 -0.214 0.000 0.860 134 T HN 0.586 nan 8.240 nan 0.000 0.468 135 K N 0.252 120.594 120.400 -0.096 0.000 2.283 135 K HA 0.112 4.433 4.320 0.002 0.000 0.202 135 K C 2.014 178.515 176.600 -0.165 0.000 1.048 135 K CA 0.706 56.942 56.287 -0.084 0.000 0.948 135 K CB -0.111 32.354 32.500 -0.059 0.000 0.742 135 K HN 0.394 nan 8.250 nan 0.000 0.458 136 L N 0.096 121.110 121.223 -0.350 0.000 2.395 136 L HA -0.030 4.312 4.340 0.002 0.000 0.218 136 L C 0.173 176.794 176.870 -0.415 0.000 1.130 136 L CA 0.281 54.771 54.840 -0.583 0.000 0.826 136 L CB -0.036 41.331 42.059 -1.153 0.000 0.941 136 L HN 0.053 nan 8.230 nan 0.000 0.451 137 Y N 0.045 120.269 120.300 -0.126 0.000 2.320 137 Y HA 0.195 4.746 4.550 0.002 0.000 0.334 137 Y C 1.227 177.107 175.900 -0.034 0.000 1.055 137 Y CA -1.055 57.013 58.100 -0.053 0.000 1.143 137 Y CB 0.932 39.363 38.460 -0.048 0.000 1.193 137 Y HN -0.209 nan 8.280 nan 0.000 0.477 138 K N 0.793 121.300 120.400 0.179 0.000 2.167 138 K HA 0.103 4.425 4.320 0.002 0.000 0.203 138 K C -0.009 176.621 176.600 0.050 0.000 1.052 138 K CA 0.521 56.859 56.287 0.086 0.000 0.956 138 K CB 0.101 32.642 32.500 0.069 0.000 0.735 138 K HN 0.451 nan 8.250 nan 0.000 0.451 139 S N 0.592 116.316 115.700 0.039 0.000 2.513 139 S HA 0.328 4.800 4.470 0.002 0.000 0.299 139 S C -0.251 174.287 174.600 -0.102 0.000 1.087 139 S CA -0.852 57.329 58.200 -0.031 0.000 1.012 139 S CB 2.665 65.846 63.200 -0.032 0.000 1.044 139 S HN -0.149 nan 8.310 nan 0.000 0.485 140 V N 3.973 123.797 119.914 -0.150 0.000 2.673 140 V HA 0.098 4.219 4.120 0.002 0.000 0.303 140 V C 0.783 176.754 176.094 -0.204 0.000 1.046 140 V CA -0.179 62.000 62.300 -0.202 0.000 1.126 140 V CB -0.163 31.441 31.823 -0.365 0.000 0.934 140 V HN 0.676 nan 8.190 nan 0.000 0.487 141 R N 3.875 124.191 120.500 -0.308 0.000 2.522 141 R HA 0.346 4.687 4.340 0.002 0.000 0.284 141 R C -0.322 175.749 176.300 -0.382 0.000 1.032 141 R CA 0.070 55.906 56.100 -0.440 0.000 1.049 141 R CB 0.080 30.140 30.300 -0.400 0.000 0.956 141 R HN 0.746 nan 8.270 nan 0.000 0.422 142 I N 3.027 123.202 120.570 -0.658 0.000 2.509 142 I HA 0.452 4.623 4.170 0.002 0.000 0.293 142 I C -1.312 174.067 176.117 -1.230 0.000 1.020 142 I CA -0.881 59.930 61.300 -0.815 0.000 1.088 142 I CB 1.091 38.674 38.000 -0.696 0.000 1.267 142 I HN 0.302 nan 8.210 nan 0.000 0.430 143 F N 6.347 125.719 119.950 -0.964 0.000 2.540 143 F HA 0.529 5.057 4.527 0.002 0.000 0.317 143 F C -0.676 174.772 175.800 -0.586 0.000 1.104 143 F CA -0.433 57.140 58.000 -0.711 0.000 0.913 143 F CB 1.716 40.165 39.000 -0.918 0.000 1.170 143 F HN 0.182 nan 8.300 nan 0.000 0.450 144 F N 1.414 121.424 119.950 0.100 0.000 2.432 144 F HA 0.718 5.246 4.527 0.002 0.000 0.329 144 F C 0.689 176.581 175.800 0.154 0.000 1.076 144 F CA -0.925 57.156 58.000 0.134 0.000 1.018 144 F CB 0.975 39.992 39.000 0.028 0.000 1.201 144 F HN 0.578 nan 8.300 nan 0.000 0.489 145 A N 1.369 124.190 122.820 0.001 0.000 2.366 145 A HA 0.131 4.452 4.320 0.002 0.000 0.250 145 A C 0.886 178.221 177.584 -0.415 0.000 1.099 145 A CA -0.265 51.306 52.037 -0.777 0.000 0.794 145 A CB -0.050 18.330 19.000 -1.034 0.000 1.056 145 A HN 0.834 nan 8.150 nan 0.000 0.499 146 N N 0.294 118.640 118.700 -0.590 0.000 2.421 146 N HA -0.032 4.709 4.740 0.002 0.000 0.201 146 N C -0.267 175.007 175.510 -0.393 0.000 1.198 146 N CA 0.068 52.907 53.050 -0.353 0.000 0.838 146 N CB -0.427 37.908 38.487 -0.254 0.000 1.011 146 N HN 0.574 nan 8.380 nan 0.000 0.463 147 H N 0.162 119.091 119.070 -0.233 0.000 2.582 147 H HA 0.249 4.806 4.556 0.002 0.000 0.345 147 H C 0.022 174.982 175.328 -0.614 0.000 1.104 147 H CA 0.017 55.821 56.048 -0.407 0.000 1.390 147 H CB 0.787 30.305 29.762 -0.406 0.000 1.461 147 H HN -0.008 nan 8.280 nan 0.000 0.551 148 T N 3.943 118.170 114.554 -0.546 0.000 2.829 148 T HA 0.448 4.799 4.350 0.002 0.000 0.282 148 T C -0.653 173.608 174.700 -0.731 0.000 0.990 148 T CA -0.489 61.301 62.100 -0.516 0.000 1.028 148 T CB 0.276 68.935 68.868 -0.348 0.000 0.951 148 T HN 0.363 nan 8.240 nan 0.000 0.460 149 Y N 0.788 120.969 120.300 -0.199 0.000 2.441 149 Y HA 0.442 4.993 4.550 0.002 0.000 0.334 149 Y C 0.189 175.891 175.900 -0.329 0.000 1.061 149 Y CA -1.553 56.428 58.100 -0.199 0.000 1.032 149 Y CB 0.920 39.297 38.460 -0.138 0.000 1.266 149 Y HN 0.575 nan 8.280 nan 0.000 0.441 150 V N 0.734 120.515 119.914 -0.221 0.000 3.237 150 V HA 0.240 4.361 4.120 0.002 0.000 0.305 150 V C -2.152 173.887 176.094 -0.091 0.000 1.096 150 V CA -1.354 60.758 62.300 -0.313 0.000 1.130 150 V CB 0.823 32.445 31.823 -0.335 0.000 1.048 150 V HN 0.578 nan 8.190 nan 0.000 0.484 151 P HA -0.122 nan 4.420 nan 0.000 0.216 151 P C 1.905 179.188 177.300 -0.029 0.000 1.150 151 P CA 2.117 65.217 63.100 -0.001 0.000 0.837 151 P CB -0.073 31.651 31.700 0.040 0.000 0.786 152 S N -1.412 114.273 115.700 -0.026 0.000 2.515 152 S HA -0.062 4.410 4.470 0.002 0.000 0.231 152 S C 1.496 176.065 174.600 -0.052 0.000 0.987 152 S CA 0.831 59.012 58.200 -0.032 0.000 0.936 152 S CB -0.707 62.483 63.200 -0.018 0.000 0.766 152 S HN 0.106 nan 8.310 nan 0.000 0.528 153 E N 1.362 121.529 120.200 -0.055 0.000 2.481 153 E HA 0.132 4.483 4.350 0.002 0.000 0.198 153 E C -0.165 176.304 176.600 -0.218 0.000 1.027 153 E CA 0.096 56.462 56.400 -0.055 0.000 0.900 153 E CB 0.170 29.905 29.700 0.058 0.000 0.993 153 E HN 0.462 nan 8.360 nan 0.000 0.482 154 T N 4.211 118.618 114.554 -0.246 0.000 2.866 154 T HA 0.055 4.406 4.350 0.002 0.000 0.293 154 T C -2.382 172.075 174.700 -0.405 0.000 1.005 154 T CA -0.730 61.106 62.100 -0.440 0.000 1.162 154 T CB 0.266 69.005 68.868 -0.215 0.000 0.968 154 T HN -0.073 nan 8.240 nan 0.000 0.530 155 P HA 0.116 nan 4.420 nan 0.000 0.262 155 P C 0.644 177.857 177.300 -0.144 0.000 1.182 155 P CA -0.092 62.845 63.100 -0.272 0.000 0.761 155 P CB 0.353 31.919 31.700 -0.222 0.000 0.795 156 A N 6.606 129.369 122.820 -0.094 0.000 1.917 156 A HA -0.153 4.169 4.320 0.002 0.000 0.219 156 A C -0.476 177.083 177.584 -0.042 0.000 1.182 156 A CA 1.850 53.850 52.037 -0.062 0.000 0.633 156 A CB -2.321 16.651 19.000 -0.046 0.000 0.819 156 A HN 0.493 nan 8.150 nan 0.000 0.448 157 P HA 0.021 nan 4.420 nan 0.000 0.239 157 P C 0.687 178.025 177.300 0.062 0.000 1.184 157 P CA 0.690 63.799 63.100 0.016 0.000 0.760 157 P CB 0.043 31.783 31.700 0.067 0.000 0.884 158 L N -2.645 118.628 121.223 0.084 0.000 2.766 158 L HA 0.103 4.444 4.340 0.002 0.000 0.242 158 L C 1.812 178.758 176.870 0.127 0.000 1.136 158 L CA -0.014 54.972 54.840 0.244 0.000 0.933 158 L CB -0.030 42.194 42.059 0.275 0.000 1.241 158 L HN -0.207 nan 8.230 nan 0.000 0.522 159 V N 0.400 120.313 119.914 -0.002 0.000 2.295 159 V HA -0.291 3.830 4.120 0.002 0.000 0.246 159 V C 2.410 178.500 176.094 -0.006 0.000 1.049 159 V CA 2.126 64.414 62.300 -0.019 0.000 1.024 159 V CB -0.193 31.605 31.823 -0.041 0.000 0.648 159 V HN 0.480 nan 8.190 nan 0.000 0.447 160 E N -0.964 119.194 120.200 -0.070 0.000 2.077 160 E HA -0.222 4.129 4.350 0.002 0.000 0.193 160 E C 2.234 178.844 176.600 0.016 0.000 0.989 160 E CA 1.429 57.784 56.400 -0.075 0.000 0.800 160 E CB -0.151 29.448 29.700 -0.169 0.000 0.746 160 E HN 0.683 nan 8.360 nan 0.000 0.452 161 Y N 0.677 121.042 120.300 0.108 0.000 2.165 161 Y HA -0.206 4.345 4.550 0.002 0.000 0.286 161 Y C 2.467 178.505 175.900 0.230 0.000 1.155 161 Y CA 1.529 59.726 58.100 0.161 0.000 1.164 161 Y CB -0.640 37.926 38.460 0.178 0.000 0.978 161 Y HN 0.042 nan 8.280 nan 0.000 0.513 162 R N 0.388 121.087 120.500 0.332 0.000 2.073 162 R HA -0.215 4.126 4.340 0.002 0.000 0.234 162 R C 2.158 178.505 176.300 0.079 0.000 1.134 162 R CA 1.905 58.068 56.100 0.104 0.000 0.952 162 R CB -0.172 30.092 30.300 -0.059 0.000 0.850 162 R HN 0.257 nan 8.270 nan 0.000 0.433 163 E N 0.614 120.863 120.200 0.081 0.000 2.072 163 E HA -0.151 4.200 4.350 0.002 0.000 0.190 163 E C 1.732 178.381 176.600 0.081 0.000 0.982 163 E CA 1.391 57.833 56.400 0.070 0.000 0.803 163 E CB -0.012 29.725 29.700 0.061 0.000 0.755 163 E HN 0.283 nan 8.360 nan 0.000 0.453 164 E N 0.410 120.672 120.200 0.104 0.000 2.118 164 E HA -0.219 4.132 4.350 0.002 0.000 0.195 164 E C 1.943 178.603 176.600 0.099 0.000 0.992 164 E CA 1.385 57.847 56.400 0.103 0.000 0.804 164 E CB -0.174 29.605 29.700 0.132 0.000 0.741 164 E HN 0.331 nan 8.360 nan 0.000 0.458 165 E N 0.981 121.257 120.200 0.126 0.000 2.072 165 E HA -0.102 4.250 4.350 0.002 0.000 0.191 165 E C 2.186 178.822 176.600 0.059 0.000 0.985 165 E CA 0.700 57.157 56.400 0.095 0.000 0.801 165 E CB -0.309 29.483 29.700 0.154 0.000 0.750 165 E HN 0.191 nan 8.360 nan 0.000 0.452 166 L N 0.386 121.636 121.223 0.046 0.000 2.046 166 L HA -0.169 4.173 4.340 0.002 0.000 0.208 166 L C 2.695 179.573 176.870 0.014 0.000 1.077 166 L CA 1.623 56.473 54.840 0.017 0.000 0.747 166 L CB -0.474 41.591 42.059 0.011 0.000 0.896 166 L HN 0.162 nan 8.230 nan 0.000 0.432 167 K N -0.386 120.034 120.400 0.033 0.000 2.057 167 K HA -0.206 4.115 4.320 0.002 0.000 0.207 167 K C 2.401 179.022 176.600 0.035 0.000 1.049 167 K CA 1.621 57.926 56.287 0.031 0.000 0.931 167 K CB -0.049 32.477 32.500 0.043 0.000 0.714 167 K HN 0.102 nan 8.250 nan 0.000 0.440 168 S N 0.724 116.450 115.700 0.044 0.000 2.356 168 S HA -0.088 4.383 4.470 0.002 0.000 0.223 168 S C 1.898 176.539 174.600 0.068 0.000 1.032 168 S CA 1.078 59.307 58.200 0.048 0.000 1.005 168 S CB -0.208 63.015 63.200 0.039 0.000 0.867 168 S HN 0.352 nan 8.310 nan 0.000 0.449 169 L N 0.646 121.921 121.223 0.086 0.000 2.201 169 L HA 0.010 4.352 4.340 0.002 0.000 0.212 169 L C 2.798 179.758 176.870 0.150 0.000 1.105 169 L CA 0.983 55.920 54.840 0.162 0.000 0.775 169 L CB -0.327 41.825 42.059 0.156 0.000 0.913 169 L HN 0.252 nan 8.230 nan 0.000 0.440 170 R N -0.195 120.342 120.500 0.063 0.000 2.119 170 R HA 0.094 4.435 4.340 0.002 0.000 0.222 170 R C 1.268 177.589 176.300 0.035 0.000 1.088 170 R CA 0.511 56.632 56.100 0.035 0.000 0.984 170 R CB -0.222 30.067 30.300 -0.019 0.000 0.884 170 R HN 0.420 nan 8.270 nan 0.000 0.447 171 G N 1.681 110.500 108.800 0.031 0.000 2.601 171 G HA2 -0.365 3.597 3.960 0.002 0.000 0.261 171 G HA3 -0.365 3.597 3.960 0.002 0.000 0.261 171 G C -0.071 174.832 174.900 0.006 0.000 1.289 171 G CA 0.344 45.450 45.100 0.011 0.000 0.920 171 G HN 0.541 nan 8.290 nan 0.000 0.571 172 N N -0.182 118.514 118.700 -0.007 0.000 2.238 172 N HA 0.477 5.219 4.740 0.002 0.000 0.235 172 N C 1.477 176.982 175.510 -0.009 0.000 1.209 172 N CA 1.128 54.175 53.050 -0.004 0.000 0.879 172 N CB 0.650 39.133 38.487 -0.007 0.000 1.136 172 N HN 2.407 nan 8.380 nan 0.000 0.517 173 G N -0.402 108.388 108.800 -0.016 0.000 2.179 173 G HA2 -0.288 3.673 3.960 0.002 0.000 0.260 173 G HA3 -0.288 3.673 3.960 0.002 0.000 0.260 173 G C 0.123 174.999 174.900 -0.040 0.000 0.977 173 G CA 0.804 45.894 45.100 -0.018 0.000 0.641 173 G HN 0.955 nan 8.290 nan 0.000 0.533 174 T N -2.620 111.903 114.554 -0.053 0.000 2.907 174 T HA 0.921 5.272 4.350 0.002 0.000 0.290 174 T C 0.461 175.105 174.700 -0.094 0.000 1.066 174 T CA 0.323 62.383 62.100 -0.066 0.000 1.012 174 T CB 2.364 71.201 68.868 -0.050 0.000 1.184 174 T HN 2.344 nan 8.240 nan 0.000 0.522 175 G N 0.349 109.087 108.800 -0.104 0.000 2.675 175 G HA2 0.026 3.987 3.960 0.002 0.000 0.686 175 G HA3 0.026 3.987 3.960 0.002 0.000 0.686 175 G C -0.752 174.039 174.900 -0.182 0.000 1.215 175 G CA -0.494 44.529 45.100 -0.130 0.000 0.777 175 G HN 1.053 nan 8.290 nan 0.000 0.638 176 E N 1.006 121.091 120.200 -0.191 0.000 2.259 176 E HA 0.323 4.674 4.350 0.002 0.000 0.281 176 E C 0.629 177.022 176.600 -0.345 0.000 1.037 176 E CA -0.760 55.496 56.400 -0.241 0.000 0.854 176 E CB 0.399 29.986 29.700 -0.189 0.000 1.051 176 E HN 0.414 nan 8.360 nan 0.000 0.409 177 R N 3.696 123.891 120.500 -0.509 0.000 2.438 177 R HA 0.246 4.588 4.340 0.002 0.000 0.287 177 R C -0.060 175.818 176.300 -0.703 0.000 1.077 177 R CA -0.305 55.283 56.100 -0.852 0.000 1.034 177 R CB 0.718 29.983 30.300 -1.725 0.000 0.993 177 R HN 0.401 nan 8.270 nan 0.000 0.459 178 K N 1.647 121.647 120.400 -0.667 0.000 2.238 178 K HA 0.115 4.437 4.320 0.002 0.000 0.239 178 K C 0.981 177.286 176.600 -0.491 0.000 0.987 178 K CA -0.685 55.265 56.287 -0.563 0.000 0.857 178 K CB 1.385 33.420 32.500 -0.776 0.000 1.154 178 K HN 0.577 nan 8.250 nan 0.000 0.439 179 E N 0.848 120.817 120.200 -0.385 0.000 2.097 179 E HA -0.244 4.107 4.350 0.002 0.000 0.196 179 E C 1.015 177.419 176.600 -0.327 0.000 1.000 179 E CA 1.947 58.218 56.400 -0.214 0.000 0.804 179 E CB -0.055 29.576 29.700 -0.114 0.000 0.740 179 E HN 0.595 nan 8.360 nan 0.000 0.454 180 Y N -0.073 119.976 120.300 -0.418 0.000 2.490 180 Y HA 0.296 4.847 4.550 0.002 0.000 0.281 180 Y C 0.102 175.888 175.900 -0.189 0.000 1.174 180 Y CA -0.579 57.113 58.100 -0.679 0.000 1.295 180 Y CB -0.280 37.330 38.460 -1.415 0.000 1.062 180 Y HN -0.245 nan 8.280 nan 0.000 0.522 181 D N 2.271 122.457 120.400 -0.356 0.000 2.423 181 D HA 0.078 4.720 4.640 0.002 0.000 0.238 181 D C -0.048 176.315 176.300 0.105 0.000 1.142 181 D CA 0.307 54.267 54.000 -0.068 0.000 0.884 181 D CB 0.655 41.322 40.800 -0.221 0.000 1.199 181 D HN 0.376 nan 8.370 nan 0.000 0.438 182 R N 1.805 122.376 120.500 0.118 0.000 3.026 182 R HA 0.385 4.727 4.340 0.002 0.000 0.317 182 R C -0.514 175.846 176.300 0.099 0.000 1.278 182 R CA -0.278 55.883 56.100 0.101 0.000 1.407 182 R CB 0.297 30.710 30.300 0.188 0.000 1.368 182 R HN 0.299 nan 8.270 nan 0.000 0.612 183 I N 1.196 121.781 120.570 0.024 0.000 2.389 183 I HA 0.295 4.467 4.170 0.002 0.000 0.288 183 I C -0.772 175.312 176.117 -0.056 0.000 0.999 183 I CA -0.945 60.381 61.300 0.043 0.000 1.129 183 I CB 1.223 39.214 38.000 -0.016 0.000 1.288 183 I HN 0.153 nan 8.210 nan 0.000 0.444 184 Y N 4.734 125.035 120.300 0.001 0.000 2.335 184 Y HA 0.526 5.078 4.550 0.002 0.000 0.339 184 Y C 0.024 175.832 175.900 -0.154 0.000 0.987 184 Y CA -0.245 57.816 58.100 -0.065 0.000 1.140 184 Y CB 1.048 39.482 38.460 -0.044 0.000 1.173 184 Y HN 0.475 nan 8.280 nan 0.000 0.486 185 D N 0.862 121.182 120.400 -0.133 0.000 2.713 185 D HA 0.295 4.936 4.640 0.002 0.000 0.306 185 D C -1.708 174.364 176.300 -0.379 0.000 1.299 185 D CA -0.795 53.045 54.000 -0.267 0.000 0.823 185 D CB 1.283 42.038 40.800 -0.076 0.000 1.353 185 D HN 0.270 nan 8.370 nan 0.000 0.447 186 Y N 0.308 120.600 120.300 -0.014 0.000 2.457 186 Y HA 0.581 5.132 4.550 0.002 0.000 0.333 186 Y C 0.446 176.307 175.900 -0.065 0.000 1.119 186 Y CA -0.438 57.631 58.100 -0.052 0.000 1.143 186 Y CB 1.511 39.930 38.460 -0.068 0.000 1.230 186 Y HN 0.120 nan 8.280 nan 0.000 0.469 187 D N -0.423 120.022 120.400 0.075 0.000 2.615 187 D HA 0.421 5.062 4.640 0.002 0.000 0.267 187 D C -1.237 175.063 176.300 -0.001 0.000 1.236 187 D CA -0.446 53.561 54.000 0.012 0.000 0.839 187 D CB 2.343 43.113 40.800 -0.051 0.000 1.380 187 D HN 0.351 nan 8.370 nan 0.000 0.433 188 V N -0.365 119.556 119.914 0.013 0.000 3.214 188 V HA 0.426 4.547 4.120 0.002 0.000 0.306 188 V C -0.051 176.077 176.094 0.057 0.000 1.078 188 V CA -0.255 62.094 62.300 0.081 0.000 1.077 188 V CB 0.419 32.292 31.823 0.084 0.000 1.121 188 V HN 0.461 nan 8.190 nan 0.000 0.468 189 Y N 2.939 123.251 120.300 0.020 0.000 2.636 189 Y HA 0.293 4.845 4.550 0.002 0.000 0.334 189 Y C 1.191 177.050 175.900 -0.068 0.000 1.286 189 Y CA -0.502 57.592 58.100 -0.010 0.000 1.688 189 Y CB -0.526 37.916 38.460 -0.031 0.000 1.662 189 Y HN 0.845 nan 8.280 nan 0.000 0.465 190 N N -0.200 118.520 118.700 0.033 0.000 2.234 190 N HA -0.017 4.724 4.740 0.002 0.000 0.227 190 N C -0.105 175.387 175.510 -0.030 0.000 1.151 190 N CA 0.036 53.078 53.050 -0.013 0.000 0.865 190 N CB 0.077 38.549 38.487 -0.026 0.000 1.066 190 N HN 0.477 nan 8.380 nan 0.000 0.515 191 D N -0.230 120.163 120.400 -0.012 0.000 2.479 191 D HA 0.110 4.751 4.640 0.002 0.000 0.218 191 D C 1.043 177.387 176.300 0.072 0.000 1.177 191 D CA -0.299 53.694 54.000 -0.011 0.000 0.830 191 D CB -0.207 40.544 40.800 -0.083 0.000 1.014 191 D HN 0.192 nan 8.370 nan 0.000 0.503 192 L N 0.050 121.299 121.223 0.042 0.000 2.253 192 L HA 0.292 4.633 4.340 0.002 0.000 0.205 192 L C 1.627 178.483 176.870 -0.022 0.000 1.078 192 L CA 0.365 55.217 54.840 0.019 0.000 0.805 192 L CB -0.366 41.678 42.059 -0.025 0.000 0.963 192 L HN 0.037 nan 8.230 nan 0.000 0.459 193 G N 0.102 108.878 108.800 -0.041 0.000 2.594 193 G HA2 -0.007 3.954 3.960 0.002 0.000 0.243 193 G HA3 -0.007 3.954 3.960 0.002 0.000 0.243 193 G C -0.188 174.694 174.900 -0.029 0.000 1.229 193 G CA -0.049 45.020 45.100 -0.051 0.000 0.843 193 G HN 0.151 nan 8.290 nan 0.000 0.578 194 N N 1.068 119.748 118.700 -0.034 0.000 2.723 194 N HA 0.264 5.005 4.740 0.002 0.000 0.290 194 N C -1.532 173.961 175.510 -0.028 0.000 1.882 194 N CA -1.823 51.213 53.050 -0.023 0.000 0.851 194 N CB 1.511 39.986 38.487 -0.019 0.000 1.234 194 N HN 0.142 nan 8.380 nan 0.000 0.491 195 P HA -0.022 nan 4.420 nan 0.000 0.222 195 P C 0.349 177.634 177.300 -0.025 0.000 1.147 195 P CA 0.920 64.002 63.100 -0.030 0.000 0.790 195 P CB 0.614 32.296 31.700 -0.030 0.000 0.780 196 D N -0.007 120.379 120.400 -0.023 0.000 2.224 196 D HA -0.112 4.529 4.640 0.002 0.000 0.205 196 D C 1.994 178.282 176.300 -0.019 0.000 0.965 196 D CA 1.017 55.005 54.000 -0.021 0.000 0.852 196 D CB -0.281 40.506 40.800 -0.021 0.000 0.947 196 D HN 0.272 nan 8.370 nan 0.000 0.494 197 K N -0.388 120.001 120.400 -0.019 0.000 2.044 197 K HA -0.018 4.303 4.320 0.002 0.000 0.204 197 K C 0.372 176.960 176.600 -0.020 0.000 1.049 197 K CA 0.624 56.900 56.287 -0.019 0.000 0.945 197 K CB 0.327 32.816 32.500 -0.019 0.000 0.724 197 K HN 0.018 nan 8.250 nan 0.000 0.440 198 S N -1.138 114.548 115.700 -0.024 0.000 2.537 198 S HA 0.149 4.620 4.470 0.002 0.000 0.271 198 S C -0.363 174.221 174.600 -0.027 0.000 1.148 198 S CA -0.743 57.442 58.200 -0.024 0.000 0.868 198 S CB 1.661 64.846 63.200 -0.025 0.000 1.115 198 S HN 0.290 nan 8.310 nan 0.000 0.461 199 E N 1.755 121.941 120.200 -0.023 0.000 2.204 199 E HA -0.084 4.268 4.350 0.002 0.000 0.195 199 E C 1.290 177.872 176.600 -0.030 0.000 0.990 199 E CA 0.931 57.317 56.400 -0.023 0.000 0.821 199 E CB 0.005 29.695 29.700 -0.016 0.000 0.750 199 E HN 0.541 nan 8.360 nan 0.000 0.477 200 K N 0.256 120.637 120.400 -0.032 0.000 2.280 200 K HA -0.096 4.225 4.320 0.002 0.000 0.202 200 K C 1.461 178.026 176.600 -0.059 0.000 1.047 200 K CA 0.741 57.003 56.287 -0.043 0.000 0.942 200 K CB 0.057 32.533 32.500 -0.041 0.000 0.739 200 K HN 0.193 nan 8.250 nan 0.000 0.457 201 L N 0.606 121.797 121.223 -0.053 0.000 2.628 201 L HA 0.191 4.533 4.340 0.002 0.000 0.229 201 L C 0.517 177.349 176.870 -0.064 0.000 1.137 201 L CA -0.659 54.144 54.840 -0.062 0.000 0.909 201 L CB 0.165 42.194 42.059 -0.051 0.000 1.137 201 L HN -0.012 nan 8.230 nan 0.000 0.470 202 A N 1.029 123.814 122.820 -0.058 0.000 2.462 202 A HA 0.515 4.836 4.320 0.002 0.000 0.243 202 A C 0.099 177.635 177.584 -0.080 0.000 1.076 202 A CA 0.053 52.055 52.037 -0.058 0.000 0.773 202 A CB 0.265 19.239 19.000 -0.043 0.000 1.010 202 A HN 0.199 nan 8.150 nan 0.000 0.493 203 R N 1.646 122.088 120.500 -0.096 0.000 2.795 203 R HA 0.546 4.887 4.340 0.002 0.000 0.275 203 R C -2.855 173.341 176.300 -0.175 0.000 0.981 203 R CA -1.890 54.127 56.100 -0.138 0.000 0.917 203 R CB 1.136 31.346 30.300 -0.151 0.000 1.202 203 R HN 0.677 nan 8.270 nan 0.000 0.469 204 P HA 0.113 nan 4.420 nan 0.000 0.271 204 P C -0.164 176.903 177.300 -0.389 0.000 1.218 204 P CA -0.351 62.504 63.100 -0.408 0.000 0.780 204 P CB 0.652 31.818 31.700 -0.890 0.000 0.901 205 V N 3.905 123.670 119.914 -0.247 0.000 2.529 205 V HA 0.001 4.122 4.120 0.002 0.000 0.292 205 V C 0.829 176.815 176.094 -0.181 0.000 1.028 205 V CA 0.057 62.270 62.300 -0.146 0.000 1.074 205 V CB -0.043 31.758 31.823 -0.036 0.000 0.958 205 V HN 0.337 nan 8.190 nan 0.000 0.481 206 L N 5.635 126.764 121.223 -0.157 0.000 2.255 206 L HA 0.783 5.125 4.340 0.002 0.000 0.289 206 L C 0.619 177.537 176.870 0.081 0.000 1.046 206 L CA 0.009 54.745 54.840 -0.172 0.000 0.816 206 L CB 0.837 42.506 42.059 -0.651 0.000 1.197 206 L HN 0.941 nan 8.230 nan 0.000 0.427 207 G N 1.304 110.217 108.800 0.188 0.000 2.640 207 G HA2 0.323 4.284 3.960 0.002 0.000 0.686 207 G HA3 0.323 4.284 3.960 0.002 0.000 0.686 207 G C 0.235 175.232 174.900 0.162 0.000 1.229 207 G CA -0.309 44.921 45.100 0.216 0.000 0.796 207 G HN 1.011 nan 8.290 nan 0.000 0.654 208 G N -1.241 107.644 108.800 0.142 0.000 2.176 208 G HA2 0.271 4.232 3.960 0.002 0.000 0.253 208 G HA3 0.271 4.232 3.960 0.002 0.000 0.253 208 G C 0.777 175.739 174.900 0.104 0.000 0.979 208 G CA 1.494 46.652 45.100 0.096 0.000 0.641 208 G HN 2.798 nan 8.290 nan 0.000 0.530 209 S N -1.346 114.440 115.700 0.144 0.000 2.618 209 S HA 0.770 5.241 4.470 0.002 0.000 0.277 209 S C 1.187 175.858 174.600 0.118 0.000 1.138 209 S CA 0.726 59.002 58.200 0.126 0.000 0.844 209 S CB 1.550 64.844 63.200 0.157 0.000 1.127 209 S HN 1.388 nan 8.310 nan 0.000 0.474 210 S N 0.737 116.477 115.700 0.067 0.000 2.406 210 S HA -0.064 4.407 4.470 0.002 0.000 0.228 210 S C 1.541 176.135 174.600 -0.010 0.000 1.020 210 S CA 1.376 59.602 58.200 0.045 0.000 0.965 210 S CB -1.322 61.892 63.200 0.023 0.000 0.798 210 S HN 0.791 nan 8.310 nan 0.000 0.488 211 T N 1.176 115.679 114.554 -0.085 0.000 2.746 211 T HA 0.100 4.452 4.350 0.002 0.000 0.267 211 T C -0.065 174.323 174.700 -0.520 0.000 1.039 211 T CA 0.977 62.864 62.100 -0.355 0.000 1.142 211 T CB -0.372 68.211 68.868 -0.476 0.000 0.866 211 T HN 0.489 nan 8.240 nan 0.000 0.444 212 F N 2.328 122.341 119.950 0.104 0.000 2.622 212 F HA 0.352 4.880 4.527 0.002 0.000 0.338 212 F C -2.531 173.371 175.800 0.170 0.000 1.334 212 F CA -3.162 54.907 58.000 0.116 0.000 1.179 212 F CB 0.996 40.028 39.000 0.053 0.000 1.471 212 F HN -0.101 nan 8.300 nan 0.000 0.576 213 P HA 0.142 nan 4.420 nan 0.000 0.272 213 P C -1.135 176.495 177.300 0.549 0.000 1.223 213 P CA 0.085 63.450 63.100 0.442 0.000 0.784 213 P CB 1.675 33.656 31.700 0.468 0.000 0.923 214 Y N 0.971 121.330 120.300 0.098 0.000 2.573 214 Y HA 0.282 4.833 4.550 0.002 0.000 0.328 214 Y C -2.580 173.001 175.900 -0.532 0.000 1.170 214 Y CA -2.032 55.780 58.100 -0.480 0.000 1.078 214 Y CB 1.537 39.840 38.460 -0.261 0.000 1.341 214 Y HN 0.266 nan 8.280 nan 0.000 0.459 215 P HA 0.146 nan 4.420 nan 0.000 0.268 215 P C -0.558 176.608 177.300 -0.224 0.000 1.208 215 P CA -0.037 62.608 63.100 -0.759 0.000 0.777 215 P CB 0.558 31.686 31.700 -0.953 0.000 0.875 216 R N 2.021 122.403 120.500 -0.197 0.000 2.637 216 R HA 0.406 4.747 4.340 0.002 0.000 0.269 216 R C 0.825 177.148 176.300 0.039 0.000 1.089 216 R CA -0.236 55.873 56.100 0.016 0.000 1.177 216 R CB 0.267 30.582 30.300 0.025 0.000 1.091 216 R HN 0.628 nan 8.270 nan 0.000 0.540 217 R N -1.303 119.164 120.500 -0.054 0.000 2.950 217 R HA 0.584 4.925 4.340 0.002 0.000 0.253 217 R C -0.096 176.131 176.300 -0.121 0.000 1.168 217 R CA -0.798 55.204 56.100 -0.164 0.000 1.014 217 R CB -0.274 29.699 30.300 -0.544 0.000 1.228 217 R HN 0.595 nan 8.270 nan 0.000 0.487 218 G N 0.446 109.173 108.800 -0.122 0.000 2.378 218 G HA2 0.229 4.190 3.960 0.002 0.000 0.255 218 G HA3 0.229 4.190 3.960 0.002 0.000 0.255 218 G C -0.697 174.150 174.900 -0.089 0.000 1.270 218 G CA -0.604 44.428 45.100 -0.113 0.000 0.876 218 G HN 0.551 nan 8.290 nan 0.000 0.521 219 R N 0.879 121.332 120.500 -0.078 0.000 2.491 219 R HA 0.241 4.582 4.340 0.002 0.000 0.283 219 R C 1.325 177.598 176.300 -0.044 0.000 1.072 219 R CA 0.603 56.659 56.100 -0.073 0.000 1.048 219 R CB 0.504 30.759 30.300 -0.076 0.000 0.983 219 R HN 0.622 nan 8.270 nan 0.000 0.450 220 T N 0.021 114.512 114.554 -0.106 0.000 2.987 220 T HA 0.190 4.542 4.350 0.002 0.000 0.248 220 T C 1.225 175.777 174.700 -0.247 0.000 0.997 220 T CA 0.352 62.367 62.100 -0.142 0.000 1.013 220 T CB 0.384 69.153 68.868 -0.166 0.000 1.077 220 T HN 0.747 nan 8.240 nan 0.000 0.483 221 G N 2.363 111.041 108.800 -0.204 0.000 2.198 221 G HA2 -0.307 3.654 3.960 0.002 0.000 0.260 221 G HA3 -0.307 3.654 3.960 0.002 0.000 0.260 221 G C 0.821 175.608 174.900 -0.188 0.000 1.025 221 G CA 0.397 45.383 45.100 -0.190 0.000 0.769 221 G HN 0.558 nan 8.290 nan 0.000 0.507 222 R N 0.092 120.472 120.500 -0.200 0.000 2.235 222 R HA 0.332 4.674 4.340 0.002 0.000 0.213 222 R C 1.731 177.948 176.300 -0.138 0.000 1.059 222 R CA 0.935 56.927 56.100 -0.181 0.000 0.997 222 R CB -0.067 30.106 30.300 -0.211 0.000 0.884 222 R HN 1.641 nan 8.270 nan 0.000 0.462 223 G N 0.965 109.688 108.800 -0.127 0.000 2.655 223 G HA2 -0.170 3.792 3.960 0.002 0.000 0.680 223 G HA3 -0.170 3.792 3.960 0.002 0.000 0.680 223 G C -2.888 171.960 174.900 -0.087 0.000 1.302 223 G CA -1.009 44.032 45.100 -0.097 0.000 0.872 223 G HN -0.025 nan 8.290 nan 0.000 0.540 224 P HA 0.385 nan 4.420 nan 0.000 0.277 224 P C 0.826 178.094 177.300 -0.055 0.000 1.240 224 P CA 0.413 63.478 63.100 -0.059 0.000 0.798 224 P CB 0.717 32.389 31.700 -0.046 0.000 0.979 225 T N -2.000 112.525 114.554 -0.049 0.000 2.795 225 T HA 0.060 4.411 4.350 0.002 0.000 0.314 225 T C 1.574 176.254 174.700 -0.035 0.000 1.069 225 T CA -0.151 61.924 62.100 -0.041 0.000 1.071 225 T CB -0.200 68.646 68.868 -0.037 0.000 0.988 225 T HN 0.315 nan 8.240 nan 0.000 0.543 226 V N -0.712 119.184 119.914 -0.030 0.000 2.626 226 V HA -0.059 4.062 4.120 0.002 0.000 0.252 226 V C 2.409 178.489 176.094 -0.023 0.000 1.067 226 V CA 1.753 64.038 62.300 -0.026 0.000 1.081 226 V CB -1.958 29.851 31.823 -0.023 0.000 0.686 226 V HN 1.113 nan 8.190 nan 0.000 0.468 227 T N -3.001 111.539 114.554 -0.023 0.000 3.051 227 T HA 0.112 4.463 4.350 0.002 0.000 0.255 227 T C 0.525 175.214 174.700 -0.019 0.000 1.085 227 T CA 0.839 62.927 62.100 -0.020 0.000 1.109 227 T CB -0.016 68.841 68.868 -0.019 0.000 0.921 227 T HN 0.555 nan 8.240 nan 0.000 0.488 228 D N 1.641 122.027 120.400 -0.023 0.000 2.479 228 D HA 0.340 4.981 4.640 0.002 0.000 0.246 228 D C -2.337 173.948 176.300 -0.026 0.000 1.336 228 D CA -2.466 51.521 54.000 -0.022 0.000 0.967 228 D CB 2.184 42.970 40.800 -0.024 0.000 1.275 228 D HN -0.128 nan 8.370 nan 0.000 0.577 229 P HA -0.024 nan 4.420 nan 0.000 0.228 229 P C 0.461 177.745 177.300 -0.027 0.000 1.151 229 P CA 0.550 63.635 63.100 -0.025 0.000 0.770 229 P CB 0.434 32.122 31.700 -0.020 0.000 0.786 230 N N -1.151 117.535 118.700 -0.023 0.000 2.299 230 N HA 0.033 4.775 4.740 0.002 0.000 0.187 230 N C 0.213 175.705 175.510 -0.031 0.000 1.099 230 N CA 0.564 53.601 53.050 -0.022 0.000 0.867 230 N CB 0.116 38.596 38.487 -0.012 0.000 0.974 230 N HN 0.097 nan 8.380 nan 0.000 0.477 231 T N 0.760 115.292 114.554 -0.037 0.000 2.824 231 T HA 0.179 4.531 4.350 0.002 0.000 0.280 231 T C -0.048 174.618 174.700 -0.057 0.000 0.995 231 T CA -0.561 61.512 62.100 -0.045 0.000 1.009 231 T CB 2.369 71.212 68.868 -0.042 0.000 0.955 231 T HN 0.031 nan 8.240 nan 0.000 0.452 232 E N 2.721 122.878 120.200 -0.072 0.000 2.313 232 E HA 0.202 4.553 4.350 0.002 0.000 0.276 232 E C 0.197 176.736 176.600 -0.102 0.000 1.031 232 E CA -0.840 55.499 56.400 -0.101 0.000 0.857 232 E CB 0.613 30.228 29.700 -0.142 0.000 1.040 232 E HN 0.551 nan 8.360 nan 0.000 0.408 233 K N 3.593 123.930 120.400 -0.104 0.000 2.336 233 K HA 0.044 4.365 4.320 0.002 0.000 0.262 233 K C 0.014 176.552 176.600 -0.102 0.000 0.992 233 K CA -0.521 55.715 56.287 -0.086 0.000 0.927 233 K CB 0.546 33.000 32.500 -0.077 0.000 0.956 233 K HN 0.365 nan 8.250 nan 0.000 0.495 234 Q N 0.074 119.847 119.800 -0.045 0.000 2.524 234 Q HA 0.231 4.573 4.340 0.002 0.000 0.246 234 Q C 0.190 176.179 176.000 -0.019 0.000 1.063 234 Q CA 0.482 56.291 55.803 0.011 0.000 0.945 234 Q CB 1.170 29.933 28.738 0.042 0.000 1.292 234 Q HN 0.896 nan 8.270 nan 0.000 0.518 235 G N 0.040 108.886 108.800 0.077 0.000 2.733 235 G HA2 0.235 4.196 3.960 0.002 0.000 0.297 235 G HA3 0.235 4.196 3.960 0.002 0.000 0.297 235 G C 0.040 175.046 174.900 0.178 0.000 1.422 235 G CA -0.469 44.661 45.100 0.050 0.000 0.942 235 G HN 0.517 nan 8.290 nan 0.000 0.510 236 E N 0.169 120.427 120.200 0.097 0.000 2.077 236 E HA -0.056 4.295 4.350 0.002 0.000 0.193 236 E C 0.718 177.394 176.600 0.126 0.000 0.989 236 E CA 1.242 57.695 56.400 0.087 0.000 0.800 236 E CB 0.057 29.781 29.700 0.040 0.000 0.746 236 E HN 0.278 nan 8.360 nan 0.000 0.452 237 V N 1.401 121.402 119.914 0.145 0.000 2.487 237 V HA 0.283 4.404 4.120 0.002 0.000 0.298 237 V C -0.897 175.364 176.094 0.279 0.000 1.028 237 V CA -0.772 61.629 62.300 0.167 0.000 0.860 237 V CB 1.323 33.191 31.823 0.075 0.000 0.991 237 V HN 0.015 nan 8.190 nan 0.000 0.427 238 F N 4.591 124.530 119.950 -0.018 0.000 2.375 238 F HA 0.356 4.884 4.527 0.002 0.000 0.362 238 F C 0.194 175.993 175.800 -0.001 0.000 1.129 238 F CA -1.153 56.840 58.000 -0.011 0.000 1.154 238 F CB 0.306 39.289 39.000 -0.027 0.000 1.205 238 F HN 0.583 nan 8.300 nan 0.000 0.513 239 Y N 4.976 125.258 120.300 -0.031 0.000 2.712 239 Y HA 0.387 4.939 4.550 0.002 0.000 0.333 239 Y C -0.365 175.482 175.900 -0.087 0.000 1.225 239 Y CA -0.549 57.496 58.100 -0.093 0.000 1.499 239 Y CB 0.510 38.867 38.460 -0.172 0.000 1.288 239 Y HN 0.357 nan 8.280 nan 0.000 0.575 240 V N 3.594 123.006 119.914 -0.835 0.000 3.001 240 V HA 0.664 4.786 4.120 0.002 0.000 0.314 240 V C -2.834 172.344 176.094 -1.527 0.000 1.099 240 V CA -3.234 58.443 62.300 -1.040 0.000 0.989 240 V CB 1.570 33.133 31.823 -0.434 0.000 1.040 240 V HN 0.702 nan 8.190 nan 0.000 0.434 241 P HA 0.137 nan 4.420 nan 0.000 0.265 241 P C 0.444 177.512 177.300 -0.386 0.000 1.187 241 P CA 0.146 62.769 63.100 -0.796 0.000 0.766 241 P CB 0.505 31.518 31.700 -1.145 0.000 0.820 242 R N 3.391 123.809 120.500 -0.136 0.000 2.103 242 R HA -0.184 4.157 4.340 0.002 0.000 0.242 242 R C 0.936 177.327 176.300 0.152 0.000 1.142 242 R CA 2.034 58.147 56.100 0.020 0.000 0.960 242 R CB -1.026 29.378 30.300 0.173 0.000 0.858 242 R HN 0.431 nan 8.270 nan 0.000 0.439 243 D N 0.219 120.755 120.400 0.227 0.000 2.349 243 D HA -0.040 4.601 4.640 0.002 0.000 0.224 243 D C 0.697 177.132 176.300 0.226 0.000 1.029 243 D CA 0.308 54.516 54.000 0.346 0.000 0.879 243 D CB 0.208 41.248 40.800 0.400 0.000 0.906 243 D HN 0.298 nan 8.370 nan 0.000 0.528 244 E N 0.419 120.673 120.200 0.090 0.000 2.481 244 E HA -0.043 4.309 4.350 0.002 0.000 0.195 244 E C 0.468 177.093 176.600 0.043 0.000 1.047 244 E CA 0.254 56.685 56.400 0.052 0.000 0.867 244 E CB -0.015 29.652 29.700 -0.056 0.000 0.858 244 E HN 0.089 nan 8.360 nan 0.000 0.513 245 N N 0.735 119.465 118.700 0.051 0.000 2.844 245 N HA 0.129 4.871 4.740 0.002 0.000 0.268 245 N C 0.473 176.036 175.510 0.089 0.000 1.574 245 N CA -0.037 53.036 53.050 0.038 0.000 0.838 245 N CB 0.019 38.495 38.487 -0.019 0.000 1.177 245 N HN -0.049 nan 8.380 nan 0.000 0.495 246 L N 0.383 121.660 121.223 0.090 0.000 2.156 246 L HA 0.255 4.596 4.340 0.002 0.000 0.208 246 L C 1.267 178.181 176.870 0.072 0.000 1.095 246 L CA 0.865 55.803 54.840 0.162 0.000 0.770 246 L CB -0.604 41.470 42.059 0.025 0.000 0.914 246 L HN 0.627 nan 8.230 nan 0.000 0.439 247 G N -1.076 107.618 108.800 -0.176 0.000 2.541 247 G HA2 -0.097 3.864 3.960 0.002 0.000 0.686 247 G HA3 -0.097 3.864 3.960 0.002 0.000 0.686 247 G C -1.051 173.546 174.900 -0.505 0.000 1.286 247 G CA -0.916 44.068 45.100 -0.193 0.000 0.894 247 G HN 0.205 nan 8.290 nan 0.000 0.575 248 H N -0.406 118.687 119.070 0.038 0.000 2.894 248 H HA 0.424 4.982 4.556 0.002 0.000 0.367 248 H C 1.275 176.620 175.328 0.028 0.000 1.144 248 H CA -0.515 55.548 56.048 0.025 0.000 1.180 248 H CB 1.889 31.671 29.762 0.033 0.000 1.758 248 H HN 0.364 nan 8.280 nan 0.000 0.541 249 L N 0.814 122.115 121.223 0.129 0.000 2.046 249 L HA -0.092 4.250 4.340 0.002 0.000 0.208 249 L C 0.371 177.298 176.870 0.095 0.000 1.077 249 L CA 1.615 56.509 54.840 0.090 0.000 0.747 249 L CB -0.048 42.050 42.059 0.065 0.000 0.896 249 L HN 0.257 nan 8.230 nan 0.000 0.432 250 K N -1.094 119.368 120.400 0.103 0.000 2.274 250 K HA 0.230 4.552 4.320 0.002 0.000 0.262 250 K C 0.934 177.569 176.600 0.058 0.000 0.961 250 K CA -0.296 56.032 56.287 0.068 0.000 0.833 250 K CB 1.949 34.478 32.500 0.048 0.000 1.102 250 K HN -0.195 nan 8.250 nan 0.000 0.436 251 S N 2.159 117.885 115.700 0.043 0.000 2.419 251 S HA -0.190 4.281 4.470 0.002 0.000 0.235 251 S C 1.611 176.198 174.600 -0.023 0.000 1.019 251 S CA 1.383 59.597 58.200 0.023 0.000 0.982 251 S CB -0.155 63.059 63.200 0.023 0.000 0.789 251 S HN 0.667 nan 8.310 nan 0.000 0.490 252 K N 1.069 121.458 120.400 -0.019 0.000 2.360 252 K HA -0.102 4.220 4.320 0.002 0.000 0.201 252 K C 0.425 176.981 176.600 -0.075 0.000 1.046 252 K CA 1.555 57.820 56.287 -0.036 0.000 0.945 252 K CB -0.153 32.337 32.500 -0.017 0.000 0.750 252 K HN 0.130 nan 8.250 nan 0.000 0.464 253 D N 1.078 121.409 120.400 -0.116 0.000 2.340 253 D HA 0.068 4.709 4.640 0.002 0.000 0.220 253 D C 0.291 176.235 176.300 -0.594 0.000 1.039 253 D CA 0.395 54.257 54.000 -0.231 0.000 0.866 253 D CB 0.565 41.285 40.800 -0.133 0.000 0.913 253 D HN 0.378 nan 8.370 nan 0.000 0.523 254 A N 0.875 123.414 122.820 -0.467 0.000 3.117 254 A HA 0.194 4.515 4.320 0.002 0.000 0.255 254 A C 1.670 179.152 177.584 -0.170 0.000 1.583 254 A CA -0.213 51.567 52.037 -0.429 0.000 1.234 254 A CB -0.911 18.042 19.000 -0.079 0.000 1.076 254 A HN 0.160 nan 8.150 nan 0.000 0.653 255 L N 0.190 121.320 121.223 -0.155 0.000 2.081 255 L HA -0.224 4.117 4.340 0.002 0.000 0.212 255 L C 2.841 179.712 176.870 0.001 0.000 1.080 255 L CA 1.662 56.475 54.840 -0.045 0.000 0.754 255 L CB -0.352 41.707 42.059 0.000 0.000 0.893 255 L HN 0.745 nan 8.230 nan 0.000 0.433 256 E N 1.527 121.743 120.200 0.027 0.000 2.209 256 E HA -0.255 4.096 4.350 0.002 0.000 0.196 256 E C 1.979 178.595 176.600 0.026 0.000 0.993 256 E CA 1.898 58.330 56.400 0.053 0.000 0.819 256 E CB -0.649 29.106 29.700 0.092 0.000 0.745 256 E HN 0.789 nan 8.360 nan 0.000 0.477 257 I N -1.505 119.074 120.570 0.016 0.000 2.761 257 I HA 0.177 4.349 4.170 0.002 0.000 0.261 257 I C 2.266 178.377 176.117 -0.010 0.000 1.198 257 I CA 1.031 62.333 61.300 0.003 0.000 1.482 257 I CB -0.505 37.501 38.000 0.010 0.000 1.100 257 I HN -0.013 nan 8.210 nan 0.000 0.445 258 G N 1.850 110.644 108.800 -0.010 0.000 2.450 258 G HA2 -0.318 3.644 3.960 0.002 0.000 0.220 258 G HA3 -0.318 3.644 3.960 0.002 0.000 0.220 258 G C 1.761 176.657 174.900 -0.007 0.000 1.130 258 G CA 1.652 46.745 45.100 -0.012 0.000 0.760 258 G HN 0.569 nan 8.290 nan 0.000 0.557 259 T N -0.909 113.643 114.554 -0.004 0.000 2.788 259 T HA -0.076 4.275 4.350 0.002 0.000 0.268 259 T C 2.151 176.832 174.700 -0.032 0.000 1.044 259 T CA 1.775 63.870 62.100 -0.009 0.000 1.139 259 T CB -0.197 68.665 68.868 -0.010 0.000 0.867 259 T HN 0.387 nan 8.240 nan 0.000 0.454 260 K N 0.682 121.057 120.400 -0.043 0.000 2.057 260 K HA -0.002 4.319 4.320 0.002 0.000 0.206 260 K C 2.631 179.204 176.600 -0.045 0.000 1.050 260 K CA 1.276 57.528 56.287 -0.059 0.000 0.935 260 K CB -0.250 32.214 32.500 -0.060 0.000 0.715 260 K HN 0.342 nan 8.250 nan 0.000 0.439 261 S N 1.208 116.888 115.700 -0.033 0.000 2.368 261 S HA -0.132 4.339 4.470 0.002 0.000 0.225 261 S C 1.693 176.271 174.600 -0.037 0.000 1.030 261 S CA 0.957 59.137 58.200 -0.033 0.000 0.999 261 S CB -0.276 62.909 63.200 -0.025 0.000 0.844 261 S HN 0.225 nan 8.310 nan 0.000 0.459 262 L N 1.601 122.811 121.223 -0.020 0.000 2.012 262 L HA -0.067 4.274 4.340 0.002 0.000 0.210 262 L C 2.486 179.343 176.870 -0.021 0.000 1.073 262 L CA 1.877 56.712 54.840 -0.008 0.000 0.748 262 L CB -1.103 40.977 42.059 0.037 0.000 0.891 262 L HN 0.275 nan 8.230 nan 0.000 0.431 263 S N -1.623 114.062 115.700 -0.026 0.000 2.368 263 S HA -0.180 4.292 4.470 0.002 0.000 0.224 263 S C 1.885 176.460 174.600 -0.043 0.000 1.029 263 S CA 1.413 59.593 58.200 -0.034 0.000 0.988 263 S CB -0.067 63.102 63.200 -0.053 0.000 0.838 263 S HN 0.648 nan 8.310 nan 0.000 0.462 264 Q N -0.777 118.995 119.800 -0.048 0.000 2.302 264 Q HA 0.287 4.628 4.340 0.002 0.000 0.202 264 Q C 1.592 177.563 176.000 -0.048 0.000 0.936 264 Q CA 0.794 56.569 55.803 -0.046 0.000 0.886 264 Q CB 0.282 28.993 28.738 -0.044 0.000 0.986 264 Q HN 0.554 nan 8.270 nan 0.000 0.487 265 I N -1.736 118.798 120.570 -0.060 0.000 3.570 265 I HA -0.052 4.120 4.170 0.002 0.000 0.270 265 I C 1.714 177.758 176.117 -0.121 0.000 1.162 265 I CA 0.219 61.475 61.300 -0.074 0.000 1.413 265 I CB 0.416 38.377 38.000 -0.065 0.000 1.437 265 I HN -0.112 nan 8.210 nan 0.000 0.457 266 V N 0.856 120.677 119.914 -0.155 0.000 2.407 266 V HA -0.215 3.906 4.120 0.002 0.000 0.245 266 V C 2.382 178.244 176.094 -0.386 0.000 1.041 266 V CA 1.807 63.913 62.300 -0.323 0.000 1.040 266 V CB -0.605 31.032 31.823 -0.310 0.000 0.671 266 V HN 0.436 nan 8.190 nan 0.000 0.455 267 Q N 0.279 119.981 119.800 -0.164 0.000 2.077 267 Q HA -0.216 4.125 4.340 0.002 0.000 0.206 267 Q C -0.167 175.828 176.000 -0.008 0.000 0.989 267 Q CA 2.425 58.213 55.803 -0.024 0.000 0.853 267 Q CB -0.957 27.794 28.738 0.022 0.000 0.907 267 Q HN 0.472 nan 8.270 nan 0.000 0.418 268 P HA -0.127 nan 4.420 nan 0.000 0.216 268 P C 0.645 177.946 177.300 0.002 0.000 1.150 268 P CA 1.980 65.073 63.100 -0.011 0.000 0.837 268 P CB -0.189 31.496 31.700 -0.026 0.000 0.786 269 A N -1.183 121.601 122.820 -0.060 0.000 1.873 269 A HA -0.181 4.140 4.320 0.002 0.000 0.215 269 A C 1.935 179.578 177.584 0.100 0.000 1.186 269 A CA 1.348 53.360 52.037 -0.042 0.000 0.616 269 A CB -1.733 17.181 19.000 -0.143 0.000 0.823 269 A HN 0.014 nan 8.150 nan 0.000 0.442 270 F N 0.456 120.447 119.950 0.069 0.000 2.095 270 F HA -0.165 4.363 4.527 0.002 0.000 0.298 270 F C 2.389 178.307 175.800 0.197 0.000 1.104 270 F CA 1.438 59.523 58.000 0.143 0.000 1.232 270 F CB -1.191 37.868 39.000 0.098 0.000 0.987 270 F HN 0.356 nan 8.300 nan 0.000 0.475 271 E N -0.137 120.227 120.200 0.274 0.000 2.097 271 E HA -0.232 4.120 4.350 0.002 0.000 0.196 271 E C 2.354 179.075 176.600 0.201 0.000 1.000 271 E CA 1.841 58.337 56.400 0.159 0.000 0.804 271 E CB -0.319 29.419 29.700 0.063 0.000 0.740 271 E HN 0.419 nan 8.360 nan 0.000 0.454 272 S N 0.640 116.436 115.700 0.161 0.000 2.402 272 S HA -0.089 4.383 4.470 0.002 0.000 0.229 272 S C 2.181 176.861 174.600 0.133 0.000 1.021 272 S CA 0.896 59.167 58.200 0.118 0.000 0.974 272 S CB -0.096 63.148 63.200 0.073 0.000 0.800 272 S HN 0.280 nan 8.310 nan 0.000 0.484 273 A N 0.573 123.506 122.820 0.189 0.000 1.930 273 A HA 0.180 4.501 4.320 0.002 0.000 0.217 273 A C 1.835 179.430 177.584 0.017 0.000 1.175 273 A CA 1.153 53.251 52.037 0.103 0.000 0.627 273 A CB -0.876 18.197 19.000 0.122 0.000 0.815 273 A HN 0.560 nan 8.150 nan 0.000 0.443 274 F N 0.407 120.367 119.950 0.016 0.000 2.187 274 F HA -0.044 4.484 4.527 0.002 0.000 0.295 274 F C 2.012 177.807 175.800 -0.009 0.000 1.091 274 F CA 1.263 59.254 58.000 -0.014 0.000 1.308 274 F CB -0.356 38.625 39.000 -0.033 0.000 1.030 274 F HN 0.159 nan 8.300 nan 0.000 0.487 275 D N 0.334 120.850 120.400 0.195 0.000 2.149 275 D HA -0.142 4.499 4.640 0.002 0.000 0.198 275 D C 2.054 178.388 176.300 0.056 0.000 0.990 275 D CA 1.251 55.312 54.000 0.101 0.000 0.839 275 D CB -0.386 40.462 40.800 0.079 0.000 0.948 275 D HN 0.250 nan 8.370 nan 0.000 0.460 276 L N -0.030 121.218 121.223 0.043 0.000 2.612 276 L HA 0.087 4.429 4.340 0.002 0.000 0.230 276 L C 0.294 177.154 176.870 -0.015 0.000 1.140 276 L CA 0.048 54.895 54.840 0.012 0.000 0.896 276 L CB -0.237 41.829 42.059 0.012 0.000 1.065 276 L HN -0.053 nan 8.230 nan 0.000 0.447 277 K N -0.232 120.151 120.400 -0.029 0.000 3.077 277 K HA -0.204 4.118 4.320 0.002 0.000 0.264 277 K C 1.240 177.781 176.600 -0.099 0.000 1.008 277 K CA 0.575 56.824 56.287 -0.064 0.000 0.740 277 K CB -1.769 30.713 32.500 -0.031 0.000 1.273 277 K HN 0.522 nan 8.250 nan 0.000 0.477 278 S N -1.649 113.969 115.700 -0.135 0.000 2.528 278 S HA 0.020 4.491 4.470 0.002 0.000 0.219 278 S C 0.702 175.191 174.600 -0.186 0.000 0.985 278 S CA 0.733 58.856 58.200 -0.129 0.000 0.914 278 S CB 0.819 63.965 63.200 -0.090 0.000 0.776 278 S HN 0.344 nan 8.310 nan 0.000 0.526 279 T N 1.863 116.234 114.554 -0.304 0.000 2.894 279 T HA 0.575 4.927 4.350 0.002 0.000 0.309 279 T C -3.232 171.262 174.700 -0.343 0.000 1.208 279 T CA -1.646 60.249 62.100 -0.341 0.000 1.016 279 T CB 1.394 69.968 68.868 -0.491 0.000 1.192 279 T HN -0.098 nan 8.240 nan 0.000 0.491 280 P HA 0.182 nan 4.420 nan 0.000 0.267 280 P C 0.834 178.045 177.300 -0.149 0.000 1.200 280 P CA -0.383 62.662 63.100 -0.092 0.000 0.772 280 P CB 0.364 32.086 31.700 0.038 0.000 0.855 281 I N 0.106 120.662 120.570 -0.023 0.000 2.439 281 I HA -0.019 4.153 4.170 0.002 0.000 0.251 281 I C 1.062 177.183 176.117 0.005 0.000 1.139 281 I CA 1.587 62.947 61.300 0.099 0.000 1.438 281 I CB -0.797 37.268 38.000 0.107 0.000 1.085 281 I HN 0.380 nan 8.210 nan 0.000 0.427 282 E N -0.070 120.038 120.200 -0.153 0.000 2.299 282 E HA 0.352 4.704 4.350 0.002 0.000 0.265 282 E C -1.024 175.251 176.600 -0.541 0.000 0.911 282 E CA -0.913 55.276 56.400 -0.352 0.000 0.789 282 E CB 2.032 31.553 29.700 -0.298 0.000 1.246 282 E HN -0.171 nan 8.360 nan 0.000 0.427 283 F N 1.377 121.142 119.950 -0.308 0.000 2.518 283 F HA 0.072 4.601 4.527 0.003 0.000 0.359 283 F C 1.886 177.391 175.800 -0.491 0.000 1.118 283 F CA 0.266 58.090 58.000 -0.292 0.000 1.287 283 F CB 0.373 39.291 39.000 -0.137 0.000 1.132 283 F HN 0.420 nan 8.300 nan 0.000 0.587 284 H N -0.280 118.910 119.070 0.200 0.000 2.750 284 H HA 0.209 4.766 4.556 0.002 0.000 0.263 284 H C 0.341 175.695 175.328 0.044 0.000 0.964 284 H CA 0.673 56.776 56.048 0.092 0.000 1.205 284 H CB 0.675 30.467 29.762 0.049 0.000 1.454 284 H HN 0.506 nan 8.280 nan 0.000 0.503 285 S N -1.056 114.722 115.700 0.130 0.000 2.596 285 S HA 0.215 4.686 4.470 0.002 0.000 0.270 285 S C 0.241 174.901 174.600 0.101 0.000 1.155 285 S CA -0.745 57.474 58.200 0.032 0.000 0.827 285 S CB 0.766 63.977 63.200 0.019 0.000 1.130 285 S HN -0.181 nan 8.310 nan 0.000 0.467 286 F N 1.240 121.107 119.950 -0.140 0.000 2.202 286 F HA -0.012 4.517 4.527 0.002 0.000 0.301 286 F C 2.719 178.284 175.800 -0.392 0.000 1.082 286 F CA 1.604 59.439 58.000 -0.275 0.000 1.313 286 F CB -1.180 37.754 39.000 -0.110 0.000 1.024 286 F HN 0.729 nan 8.300 nan 0.000 0.495 287 Q N 0.809 120.666 119.800 0.095 0.000 2.226 287 Q HA -0.162 4.179 4.340 0.002 0.000 0.204 287 Q C 1.487 177.461 176.000 -0.044 0.000 0.975 287 Q CA 1.627 57.492 55.803 0.104 0.000 0.866 287 Q CB -0.478 28.335 28.738 0.124 0.000 0.915 287 Q HN 0.231 nan 8.270 nan 0.000 0.440 288 D N -1.084 119.287 120.400 -0.048 0.000 2.178 288 D HA -0.107 4.534 4.640 0.002 0.000 0.201 288 D C 1.693 177.877 176.300 -0.195 0.000 0.980 288 D CA 1.062 55.056 54.000 -0.010 0.000 0.842 288 D CB 0.086 40.977 40.800 0.151 0.000 0.948 288 D HN 0.184 nan 8.370 nan 0.000 0.472 289 V N 1.063 120.647 119.914 -0.550 0.000 2.323 289 V HA -0.185 3.936 4.120 0.002 0.000 0.244 289 V C 2.184 177.945 176.094 -0.555 0.000 1.041 289 V CA 1.309 63.116 62.300 -0.821 0.000 1.025 289 V CB -0.553 30.626 31.823 -1.074 0.000 0.656 289 V HN 0.272 nan 8.190 nan 0.000 0.451 290 H N 0.199 119.046 119.070 -0.372 0.000 2.422 290 H HA -0.144 4.413 4.556 0.002 0.000 0.298 290 H C 2.159 177.016 175.328 -0.784 0.000 1.098 290 H CA 1.572 57.246 56.048 -0.623 0.000 1.315 290 H CB -0.443 29.145 29.762 -0.289 0.000 1.382 290 H HN 0.430 nan 8.280 nan 0.000 0.523 291 D N 0.781 121.017 120.400 -0.274 0.000 2.190 291 D HA -0.123 4.519 4.640 0.002 0.000 0.200 291 D C 2.403 178.603 176.300 -0.167 0.000 0.992 291 D CA 0.398 54.294 54.000 -0.173 0.000 0.854 291 D CB -0.323 40.444 40.800 -0.054 0.000 0.936 291 D HN 0.327 nan 8.370 nan 0.000 0.462 292 L N -0.019 121.104 121.223 -0.166 0.000 2.127 292 L HA -0.200 4.141 4.340 0.002 0.000 0.211 292 L C 1.786 178.793 176.870 0.228 0.000 1.089 292 L CA 1.128 56.012 54.840 0.074 0.000 0.757 292 L CB -0.481 41.590 42.059 0.020 0.000 0.899 292 L HN 0.261 nan 8.230 nan 0.000 0.434 293 Y N -3.051 117.362 120.300 0.188 0.000 2.584 293 Y HA 0.405 4.956 4.550 0.002 0.000 0.254 293 Y C 1.279 177.260 175.900 0.135 0.000 1.177 293 Y CA -0.754 57.468 58.100 0.204 0.000 1.216 293 Y CB -0.467 38.105 38.460 0.187 0.000 1.172 293 Y HN 0.061 nan 8.280 nan 0.000 0.529 294 E N 0.779 120.961 120.200 -0.030 0.000 2.720 294 E HA 0.250 4.601 4.350 0.002 0.000 0.260 294 E C 1.919 178.548 176.600 0.047 0.000 0.967 294 E CA 0.206 56.618 56.400 0.020 0.000 1.055 294 E CB -0.417 29.237 29.700 -0.076 0.000 2.411 294 E HN 0.290 nan 8.360 nan 0.000 0.570 295 G N 0.246 109.058 108.800 0.019 0.000 2.484 295 G HA2 0.258 4.219 3.960 0.002 0.000 0.218 295 G HA3 0.258 4.219 3.960 0.002 0.000 0.218 295 G C 0.725 175.660 174.900 0.058 0.000 1.130 295 G CA 0.697 45.819 45.100 0.037 0.000 0.784 295 G HN 0.592 nan 8.290 nan 0.000 0.543 296 G N -0.785 108.057 108.800 0.070 0.000 2.582 296 G HA2 -0.084 3.878 3.960 0.002 0.000 0.222 296 G HA3 -0.084 3.878 3.960 0.002 0.000 0.222 296 G C -0.707 174.252 174.900 0.099 0.000 1.311 296 G CA -0.219 44.951 45.100 0.117 0.000 0.915 296 G HN 0.822 nan 8.290 nan 0.000 0.528 297 I N 0.315 120.953 120.570 0.113 0.000 2.509 297 I HA 0.565 4.737 4.170 0.002 0.000 0.293 297 I C 0.028 176.177 176.117 0.054 0.000 1.020 297 I CA -1.156 60.192 61.300 0.080 0.000 1.088 297 I CB 1.330 39.392 38.000 0.104 0.000 1.267 297 I HN 0.519 nan 8.210 nan 0.000 0.430 298 K N 8.020 128.436 120.400 0.027 0.000 2.258 298 K HA 0.556 4.877 4.320 0.002 0.000 0.284 298 K C -1.183 175.429 176.600 0.021 0.000 1.051 298 K CA -0.394 55.911 56.287 0.030 0.000 0.923 298 K CB 1.422 33.913 32.500 -0.014 0.000 1.046 298 K HN 0.512 nan 8.250 nan 0.000 0.474 299 L N 3.350 124.622 121.223 0.081 0.000 2.303 299 L HA 0.482 4.823 4.340 0.002 0.000 0.256 299 L C -2.463 174.513 176.870 0.177 0.000 1.034 299 L CA -2.726 52.161 54.840 0.080 0.000 0.832 299 L CB 2.077 44.188 42.059 0.086 0.000 1.403 299 L HN 0.337 nan 8.230 nan 0.000 0.419 300 P HA 0.108 nan 4.420 nan 0.000 0.269 300 P C 0.117 177.473 177.300 0.094 0.000 1.209 300 P CA -0.131 63.063 63.100 0.156 0.000 0.776 300 P CB 0.656 32.401 31.700 0.075 0.000 0.876 301 R N 2.415 122.929 120.500 0.022 0.000 2.134 301 R HA -0.236 4.105 4.340 0.002 0.000 0.248 301 R C 1.242 177.488 176.300 -0.090 0.000 1.143 301 R CA 2.049 58.033 56.100 -0.194 0.000 0.957 301 R CB -0.454 29.725 30.300 -0.201 0.000 0.867 301 R HN 0.544 nan 8.270 nan 0.000 0.441 302 D N -0.480 119.900 120.400 -0.033 0.000 2.218 302 D HA -0.129 4.512 4.640 0.002 0.000 0.204 302 D C 1.840 178.123 176.300 -0.030 0.000 0.976 302 D CA 1.232 55.215 54.000 -0.027 0.000 0.853 302 D CB 0.110 40.904 40.800 -0.010 0.000 0.939 302 D HN 0.168 nan 8.370 nan 0.000 0.481 303 V N 1.828 121.735 119.914 -0.012 0.000 2.307 303 V HA -0.215 3.906 4.120 0.002 0.000 0.245 303 V C 2.500 178.560 176.094 -0.055 0.000 1.045 303 V CA 0.958 63.246 62.300 -0.020 0.000 1.024 303 V CB -0.238 31.619 31.823 0.056 0.000 0.651 303 V HN 0.150 nan 8.190 nan 0.000 0.449 304 I N 0.358 120.897 120.570 -0.052 0.000 2.163 304 I HA -0.186 3.986 4.170 0.002 0.000 0.243 304 I C 2.537 178.614 176.117 -0.066 0.000 1.085 304 I CA 1.687 62.945 61.300 -0.070 0.000 1.347 304 I CB -1.614 36.333 38.000 -0.089 0.000 1.044 304 I HN 0.273 nan 8.210 nan 0.000 0.408 305 S N 0.233 115.893 115.700 -0.067 0.000 2.423 305 S HA -0.112 4.360 4.470 0.002 0.000 0.231 305 S C 2.005 176.577 174.600 -0.047 0.000 1.014 305 S CA 1.433 59.600 58.200 -0.055 0.000 0.965 305 S CB -0.253 62.914 63.200 -0.055 0.000 0.785 305 S HN 0.501 nan 8.310 nan 0.000 0.495 306 T N 2.032 116.553 114.554 -0.055 0.000 2.857 306 T HA 0.161 4.513 4.350 0.002 0.000 0.266 306 T C 1.692 176.354 174.700 -0.062 0.000 1.048 306 T CA 0.691 62.755 62.100 -0.060 0.000 1.139 306 T CB -0.177 68.645 68.868 -0.077 0.000 0.874 306 T HN 0.283 nan 8.240 nan 0.000 0.455 307 I N 0.618 121.147 120.570 -0.068 0.000 2.193 307 I HA -0.048 4.124 4.170 0.002 0.000 0.240 307 I C 2.189 178.309 176.117 0.006 0.000 1.084 307 I CA 1.017 62.295 61.300 -0.036 0.000 1.365 307 I CB -0.234 37.736 38.000 -0.050 0.000 1.064 307 I HN 0.165 nan 8.210 nan 0.000 0.410 308 I N 1.279 121.848 120.570 -0.001 0.000 2.236 308 I HA -0.231 3.940 4.170 0.002 0.000 0.249 308 I C -0.473 175.646 176.117 0.003 0.000 1.102 308 I CA 1.465 62.770 61.300 0.008 0.000 1.365 308 I CB -1.605 36.391 38.000 -0.007 0.000 1.051 308 I HN 0.302 nan 8.210 nan 0.000 0.420 309 P HA 0.080 nan 4.420 nan 0.000 0.251 309 P C 0.368 177.666 177.300 -0.003 0.000 1.223 309 P CA 0.503 63.600 63.100 -0.005 0.000 0.796 309 P CB 0.119 31.814 31.700 -0.009 0.000 1.068 310 L N 2.689 123.909 121.223 -0.004 0.000 2.361 310 L HA 0.272 4.613 4.340 0.002 0.000 0.278 310 L C -2.003 174.863 176.870 -0.006 0.000 1.113 310 L CA -2.165 52.671 54.840 -0.006 0.000 0.849 310 L CB 0.155 42.209 42.059 -0.010 0.000 1.155 310 L HN -0.149 nan 8.230 nan 0.000 0.452 311 P HA 0.063 nan 4.420 nan 0.000 0.268 311 P C 0.882 178.168 177.300 -0.022 0.000 1.208 311 P CA -0.004 63.089 63.100 -0.011 0.000 0.777 311 P CB 1.065 32.762 31.700 -0.005 0.000 0.875 312 V N 0.648 120.542 119.914 -0.034 0.000 0.516 312 V HA -0.348 3.773 4.120 0.002 0.000 0.092 312 V C 2.132 178.184 176.094 -0.070 0.000 2.243 312 V CA 2.372 64.641 62.300 -0.051 0.000 3.573 312 V CB -2.068 29.727 31.823 -0.047 0.000 0.862 312 V HN 0.479 nan 8.190 nan 0.000 0.902 313 I N 1.439 121.980 120.570 -0.048 0.000 2.226 313 I HA -0.218 3.953 4.170 0.002 0.000 0.245 313 I C 2.575 178.664 176.117 -0.047 0.000 1.100 313 I CA 2.732 64.006 61.300 -0.044 0.000 1.374 313 I CB -1.266 36.746 38.000 0.020 0.000 1.057 313 I HN 0.831 nan 8.210 nan 0.000 0.413 314 K N 0.874 121.267 120.400 -0.011 0.000 2.280 314 K HA -0.143 4.178 4.320 0.002 0.000 0.202 314 K C 1.234 177.813 176.600 -0.034 0.000 1.047 314 K CA 1.089 57.385 56.287 0.015 0.000 0.942 314 K CB -0.213 32.294 32.500 0.011 0.000 0.739 314 K HN 0.282 nan 8.250 nan 0.000 0.457 315 E N 1.143 121.289 120.200 -0.091 0.000 2.481 315 E HA 0.009 4.361 4.350 0.002 0.000 0.195 315 E C 1.829 178.299 176.600 -0.216 0.000 1.047 315 E CA 0.412 56.745 56.400 -0.112 0.000 0.867 315 E CB 0.025 29.671 29.700 -0.089 0.000 0.858 315 E HN 0.434 nan 8.360 nan 0.000 0.513 316 L N -0.528 120.449 121.223 -0.410 0.000 2.418 316 L HA 0.030 4.372 4.340 0.002 0.000 0.218 316 L C 0.072 176.447 176.870 -0.825 0.000 1.125 316 L CA 0.597 54.995 54.840 -0.736 0.000 0.835 316 L CB -0.021 41.320 42.059 -1.197 0.000 0.953 316 L HN 0.033 nan 8.230 nan 0.000 0.454 317 Y N -1.394 118.810 120.300 -0.161 0.000 2.504 317 Y HA 0.461 5.012 4.550 0.002 0.000 0.344 317 Y C 0.002 175.848 175.900 -0.091 0.000 1.023 317 Y CA -1.254 56.732 58.100 -0.190 0.000 1.020 317 Y CB 1.066 39.376 38.460 -0.250 0.000 1.282 317 Y HN -0.201 nan 8.280 nan 0.000 0.454 318 R N 0.750 121.312 120.500 0.103 0.000 2.531 318 R HA 0.655 4.997 4.340 0.002 0.000 0.273 318 R C -0.458 175.888 176.300 0.076 0.000 1.070 318 R CA -0.400 55.745 56.100 0.075 0.000 1.112 318 R CB 1.570 31.911 30.300 0.067 0.000 1.049 318 R HN 0.751 nan 8.270 nan 0.000 0.508 319 T N -0.576 114.009 114.554 0.053 0.000 2.889 319 T HA 0.068 4.419 4.350 0.002 0.000 0.315 319 T C -0.418 174.299 174.700 0.029 0.000 1.291 319 T CA -0.824 61.298 62.100 0.037 0.000 1.028 319 T CB 1.269 70.151 68.868 0.024 0.000 1.235 319 T HN 0.706 nan 8.240 nan 0.000 0.491 320 D N 0.919 121.335 120.400 0.026 0.000 2.340 320 D HA 0.215 4.856 4.640 0.002 0.000 0.220 320 D C 1.502 177.805 176.300 0.004 0.000 1.039 320 D CA 0.851 54.864 54.000 0.022 0.000 0.866 320 D CB -0.429 40.391 40.800 0.033 0.000 0.913 320 D HN 1.188 nan 8.370 nan 0.000 0.523 321 G N 0.104 108.899 108.800 -0.008 0.000 2.162 321 G HA2 -0.330 3.632 3.960 0.002 0.000 0.260 321 G HA3 -0.330 3.632 3.960 0.002 0.000 0.260 321 G C 0.918 175.777 174.900 -0.068 0.000 0.976 321 G CA 0.776 45.858 45.100 -0.029 0.000 0.655 321 G HN 0.403 nan 8.290 nan 0.000 0.533 322 Q N -1.560 118.192 119.800 -0.081 0.000 2.612 322 Q HA 0.257 4.598 4.340 0.002 0.000 0.193 322 Q C 1.483 177.260 176.000 -0.372 0.000 0.828 322 Q CA 0.950 56.636 55.803 -0.195 0.000 0.851 322 Q CB 0.255 28.958 28.738 -0.058 0.000 1.178 322 Q HN 0.656 nan 8.270 nan 0.000 0.634 323 H N -1.179 117.889 119.070 -0.003 0.000 3.680 323 H HA 0.419 4.977 4.556 0.002 0.000 0.260 323 H C 0.051 175.376 175.328 -0.006 0.000 1.183 323 H CA -0.018 56.027 56.048 -0.006 0.000 1.159 323 H CB 1.751 31.509 29.762 -0.006 0.000 1.567 323 H HN 0.068 nan 8.280 nan 0.000 0.648 324 I N 2.643 123.270 120.570 0.095 0.000 2.359 324 I HA 0.217 4.388 4.170 0.002 0.000 0.294 324 I C -0.426 175.706 176.117 0.025 0.000 0.987 324 I CA -0.401 60.938 61.300 0.066 0.000 1.225 324 I CB 1.969 40.009 38.000 0.066 0.000 1.366 324 I HN -0.183 nan 8.210 nan 0.000 0.466 325 L N 6.895 128.123 121.223 0.008 0.000 2.341 325 L HA 0.528 4.869 4.340 0.002 0.000 0.278 325 L C -0.487 176.410 176.870 0.046 0.000 1.005 325 L CA -0.766 54.042 54.840 -0.053 0.000 0.818 325 L CB 1.564 43.453 42.059 -0.284 0.000 1.259 325 L HN 0.499 nan 8.230 nan 0.000 0.418 326 K N 3.370 123.823 120.400 0.088 0.000 2.450 326 K HA 0.480 4.801 4.320 0.002 0.000 0.257 326 K C -1.045 175.699 176.600 0.240 0.000 0.953 326 K CA -0.566 55.837 56.287 0.193 0.000 0.844 326 K CB 1.815 34.411 32.500 0.160 0.000 1.103 326 K HN 0.168 nan 8.250 nan 0.000 0.429 327 F N 3.799 123.930 119.950 0.303 0.000 2.444 327 F HA 0.177 4.705 4.527 0.002 0.000 0.331 327 F C -1.495 174.466 175.800 0.268 0.000 1.167 327 F CA -1.706 56.491 58.000 0.328 0.000 1.262 327 F CB 0.142 39.389 39.000 0.412 0.000 1.196 327 F HN 0.368 nan 8.300 nan 0.000 0.583 328 P HA -0.017 nan 4.420 nan 0.000 0.275 328 P C -1.202 176.262 177.300 0.273 0.000 1.228 328 P CA -0.526 62.703 63.100 0.214 0.000 0.786 328 P CB 0.594 32.313 31.700 0.032 0.000 0.927 329 Q N 3.318 123.168 119.800 0.083 0.000 2.262 329 Q HA 0.132 4.473 4.340 0.002 0.000 0.272 329 Q C -2.035 173.807 176.000 -0.262 0.000 1.076 329 Q CA -1.576 54.075 55.803 -0.255 0.000 0.905 329 Q CB -0.121 28.507 28.738 -0.184 0.000 1.182 329 Q HN 0.280 nan 8.270 nan 0.000 0.390 330 P HA 0.006 nan 4.420 nan 0.000 0.268 330 P C -0.417 176.705 177.300 -0.296 0.000 1.205 330 P CA 0.076 63.009 63.100 -0.279 0.000 0.771 330 P CB 0.646 32.042 31.700 -0.506 0.000 0.858 331 H N 0.845 119.730 119.070 -0.307 0.000 2.394 331 H HA -0.145 4.412 4.556 0.002 0.000 0.297 331 H C 1.745 176.846 175.328 -0.378 0.000 1.113 331 H CA 1.580 57.398 56.048 -0.383 0.000 1.277 331 H CB -0.641 28.739 29.762 -0.636 0.000 1.370 331 H HN 0.141 nan 8.280 nan 0.000 0.506 332 V N 1.040 120.789 119.914 -0.275 0.000 2.913 332 V HA -0.113 4.008 4.120 0.002 0.000 0.260 332 V C 1.670 177.714 176.094 -0.083 0.000 1.098 332 V CA 1.545 63.735 62.300 -0.183 0.000 1.121 332 V CB -0.317 31.440 31.823 -0.110 0.000 0.714 332 V HN 0.489 nan 8.190 nan 0.000 0.487 333 V N -3.599 116.227 119.914 -0.148 0.000 3.528 333 V HA 0.197 4.318 4.120 0.002 0.000 0.294 333 V C 1.749 177.783 176.094 -0.101 0.000 1.404 333 V CA 0.543 62.791 62.300 -0.087 0.000 1.065 333 V CB 0.022 31.789 31.823 -0.094 0.000 0.904 333 V HN 0.463 nan 8.190 nan 0.000 0.435 334 Q N 0.414 120.133 119.800 -0.136 0.000 2.291 334 Q HA -0.058 4.283 4.340 0.002 0.000 0.206 334 Q C 1.967 177.931 176.000 -0.059 0.000 0.976 334 Q CA 1.943 57.675 55.803 -0.119 0.000 0.875 334 Q CB 0.194 28.835 28.738 -0.161 0.000 0.927 334 Q HN 0.713 nan 8.270 nan 0.000 0.450 335 V N -1.637 118.254 119.914 -0.037 0.000 2.911 335 V HA 0.079 4.200 4.120 0.002 0.000 0.237 335 V C 0.512 176.604 176.094 -0.003 0.000 1.156 335 V CA 0.380 62.672 62.300 -0.013 0.000 1.180 335 V CB 1.427 33.249 31.823 -0.001 0.000 0.932 335 V HN -0.026 nan 8.190 nan 0.000 0.483 336 S N 0.076 115.778 115.700 0.005 0.000 2.733 336 S HA 0.285 4.756 4.470 0.002 0.000 0.294 336 S C 0.545 175.166 174.600 0.036 0.000 1.149 336 S CA -0.433 57.775 58.200 0.013 0.000 1.034 336 S CB 1.765 64.975 63.200 0.017 0.000 1.015 336 S HN 0.500 nan 8.310 nan 0.000 0.486 337 Q N 3.336 123.148 119.800 0.019 0.000 2.369 337 Q HA 0.017 4.358 4.340 0.002 0.000 0.206 337 Q C 1.042 177.142 176.000 0.167 0.000 0.963 337 Q CA 1.616 57.449 55.803 0.050 0.000 0.894 337 Q CB -0.125 28.535 28.738 -0.129 0.000 0.965 337 Q HN 0.642 nan 8.270 nan 0.000 0.475 338 S N -1.356 114.373 115.700 0.048 0.000 2.539 338 S HA 0.426 4.897 4.470 0.002 0.000 0.221 338 S C 1.799 176.240 174.600 -0.264 0.000 0.987 338 S CA -0.035 58.109 58.200 -0.094 0.000 0.929 338 S CB 0.654 63.809 63.200 -0.075 0.000 0.832 338 S HN 0.426 nan 8.310 nan 0.000 0.492 339 A N 2.620 125.396 122.820 -0.073 0.000 2.019 339 A HA 0.001 4.323 4.320 0.002 0.000 0.219 339 A C 1.945 179.501 177.584 -0.047 0.000 1.164 339 A CA 1.105 53.111 52.037 -0.052 0.000 0.644 339 A CB -1.305 17.714 19.000 0.032 0.000 0.805 339 A HN 0.941 nan 8.150 nan 0.000 0.449 340 W N -1.232 120.081 121.300 0.022 0.000 2.364 340 W HA -0.113 4.548 4.660 0.002 0.000 0.281 340 W C 1.438 177.975 176.519 0.030 0.000 1.219 340 W CA 1.104 58.466 57.345 0.029 0.000 1.220 340 W CB -0.842 28.612 29.460 -0.009 0.000 1.127 340 W HN 0.270 nan 8.180 nan 0.000 0.556 341 M N 1.929 120.903 119.600 -1.043 0.000 2.619 341 M HA -0.021 4.460 4.480 0.002 0.000 0.251 341 M C 0.874 176.956 176.300 -0.363 0.000 1.106 341 M CA 1.142 55.826 55.300 -1.026 0.000 1.086 341 M CB -0.234 31.600 32.600 -1.276 0.000 1.465 341 M HN -0.105 nan 8.290 nan 0.000 0.506 342 T N -2.497 111.944 114.554 -0.188 0.000 2.913 342 T HA 0.068 4.419 4.350 0.002 0.000 0.297 342 T C 0.557 175.312 174.700 0.091 0.000 1.029 342 T CA -0.671 61.408 62.100 -0.036 0.000 1.104 342 T CB 1.055 69.919 68.868 -0.007 0.000 0.964 342 T HN 0.051 nan 8.240 nan 0.000 0.532 343 D N 1.444 121.935 120.400 0.151 0.000 2.178 343 D HA -0.056 4.585 4.640 0.002 0.000 0.201 343 D C 1.882 178.343 176.300 0.268 0.000 0.980 343 D CA 1.112 55.283 54.000 0.285 0.000 0.842 343 D CB -0.072 40.911 40.800 0.305 0.000 0.948 343 D HN 0.742 nan 8.370 nan 0.000 0.472 344 E N 0.399 120.695 120.200 0.161 0.000 2.077 344 E HA -0.176 4.176 4.350 0.002 0.000 0.193 344 E C 1.900 178.574 176.600 0.122 0.000 0.989 344 E CA 1.017 57.490 56.400 0.120 0.000 0.800 344 E CB -0.100 29.647 29.700 0.078 0.000 0.746 344 E HN 0.172 nan 8.360 nan 0.000 0.452 345 E N -0.108 120.175 120.200 0.139 0.000 2.072 345 E HA -0.147 4.205 4.350 0.002 0.000 0.191 345 E C 1.665 178.366 176.600 0.168 0.000 0.985 345 E CA 0.682 57.170 56.400 0.146 0.000 0.801 345 E CB -0.361 29.439 29.700 0.167 0.000 0.750 345 E HN 0.275 nan 8.360 nan 0.000 0.452 346 F N 0.802 120.793 119.950 0.068 0.000 2.091 346 F HA -0.230 4.299 4.527 0.002 0.000 0.299 346 F C 2.006 177.822 175.800 0.026 0.000 1.103 346 F CA 2.184 60.218 58.000 0.056 0.000 1.228 346 F CB -0.776 38.263 39.000 0.065 0.000 0.984 346 F HN 0.104 nan 8.300 nan 0.000 0.477 347 A N 0.302 123.096 122.820 -0.043 0.000 1.929 347 A HA -0.118 4.204 4.320 0.002 0.000 0.216 347 A C 2.400 179.870 177.584 -0.191 0.000 1.176 347 A CA 1.328 53.248 52.037 -0.195 0.000 0.628 347 A CB -0.817 18.178 19.000 -0.008 0.000 0.816 347 A HN 0.473 nan 8.150 nan 0.000 0.444 348 R N 0.067 120.512 120.500 -0.091 0.000 2.096 348 R HA -0.128 4.213 4.340 0.002 0.000 0.235 348 R C 1.687 177.905 176.300 -0.135 0.000 1.127 348 R CA 1.580 57.624 56.100 -0.093 0.000 0.968 348 R CB -0.228 30.068 30.300 -0.006 0.000 0.861 348 R HN 0.649 nan 8.270 nan 0.000 0.440 349 E N -0.055 120.052 120.200 -0.154 0.000 2.338 349 E HA -0.162 4.189 4.350 0.002 0.000 0.197 349 E C 1.751 178.198 176.600 -0.256 0.000 1.007 349 E CA 0.903 57.157 56.400 -0.242 0.000 0.849 349 E CB 0.009 29.542 29.700 -0.278 0.000 0.774 349 E HN 0.457 nan 8.360 nan 0.000 0.506 350 M N 0.137 119.573 119.600 -0.274 0.000 2.476 350 M HA -0.031 4.450 4.480 0.002 0.000 0.262 350 M C 2.095 178.237 176.300 -0.264 0.000 1.079 350 M CA 1.088 56.229 55.300 -0.266 0.000 1.104 350 M CB 0.011 32.420 32.600 -0.317 0.000 1.409 350 M HN 0.213 nan 8.290 nan 0.000 0.467 351 I N -5.035 115.367 120.570 -0.281 0.000 4.403 351 I HA 0.424 4.596 4.170 0.002 0.000 0.331 351 I C 1.164 177.245 176.117 -0.061 0.000 1.327 351 I CA -0.007 61.116 61.300 -0.296 0.000 1.175 351 I CB 0.377 38.005 38.000 -0.619 0.000 1.165 351 I HN -0.029 nan 8.210 nan 0.000 0.413 352 A N 1.154 123.906 122.820 -0.113 0.000 2.622 352 A HA 0.720 5.042 4.320 0.002 0.000 0.283 352 A C 0.776 178.436 177.584 0.127 0.000 0.998 352 A CA 0.160 52.123 52.037 -0.123 0.000 0.985 352 A CB -0.391 18.535 19.000 -0.124 0.000 1.236 352 A HN 0.392 nan 8.150 nan 0.000 0.559 353 G N -1.086 107.639 108.800 -0.125 0.000 2.641 353 G HA2 0.391 4.353 3.960 0.002 0.000 0.239 353 G HA3 0.391 4.353 3.960 0.002 0.000 0.239 353 G C 0.960 175.722 174.900 -0.230 0.000 1.402 353 G CA 0.519 45.281 45.100 -0.563 0.000 1.046 353 G HN 0.438 nan 8.290 nan 0.000 0.565 354 V N -0.108 119.603 119.914 -0.337 0.000 2.809 354 V HA 0.051 4.172 4.120 0.002 0.000 0.256 354 V C 0.783 176.755 176.094 -0.203 0.000 1.080 354 V CA 1.777 63.994 62.300 -0.137 0.000 1.102 354 V CB -0.326 31.349 31.823 -0.246 0.000 0.705 354 V HN 0.548 nan 8.190 nan 0.000 0.475 355 N N 0.275 118.870 118.700 -0.175 0.000 2.791 355 N HA 0.328 5.070 4.740 0.002 0.000 0.265 355 N C -2.221 173.268 175.510 -0.034 0.000 1.580 355 N CA -1.483 51.563 53.050 -0.007 0.000 0.809 355 N CB 1.404 39.937 38.487 0.077 0.000 1.178 355 N HN 0.238 nan 8.380 nan 0.000 0.499 356 P HA 0.195 nan 4.420 nan 0.000 0.258 356 P C 0.035 177.324 177.300 -0.019 0.000 1.416 356 P CA -0.039 63.003 63.100 -0.097 0.000 0.927 356 P CB -0.462 31.176 31.700 -0.103 0.000 1.444 357 C N -3.314 115.970 119.300 -0.026 0.000 3.098 357 C HA 0.478 4.939 4.460 0.002 0.000 0.265 357 C C 1.425 176.483 174.990 0.113 0.000 1.572 357 C CA -0.447 58.614 59.018 0.072 0.000 1.788 357 C CB -1.070 26.665 27.740 -0.009 0.000 2.982 357 C HN 0.024 nan 8.230 nan 0.000 0.532 358 V N 0.522 120.471 119.914 0.058 0.000 3.307 358 V HA 0.226 4.347 4.120 0.002 0.000 0.244 358 V C 1.222 177.257 176.094 -0.099 0.000 1.196 358 V CA 0.208 62.490 62.300 -0.029 0.000 1.132 358 V CB -0.075 31.697 31.823 -0.085 0.000 0.875 358 V HN 0.653 nan 8.190 nan 0.000 0.468 359 I N 1.844 122.363 120.570 -0.085 0.000 2.880 359 I HA -0.013 4.158 4.170 0.002 0.000 0.296 359 I C 0.410 176.535 176.117 0.013 0.000 1.220 359 I CA 0.858 62.107 61.300 -0.085 0.000 1.435 359 I CB 0.187 38.090 38.000 -0.161 0.000 1.339 359 I HN 0.249 nan 8.210 nan 0.000 0.583 360 R N 4.465 125.002 120.500 0.060 0.000 2.795 360 R HA 0.450 4.792 4.340 0.002 0.000 0.275 360 R C -0.407 176.006 176.300 0.188 0.000 0.981 360 R CA -0.815 55.347 56.100 0.103 0.000 0.917 360 R CB 1.769 32.075 30.300 0.009 0.000 1.202 360 R HN 0.786 nan 8.270 nan 0.000 0.469 361 G N 1.110 109.980 108.800 0.117 0.000 2.491 361 G HA2 0.317 4.278 3.960 0.002 0.000 0.242 361 G HA3 0.317 4.278 3.960 0.002 0.000 0.242 361 G C -1.006 173.776 174.900 -0.197 0.000 1.266 361 G CA -0.243 44.717 45.100 -0.234 0.000 0.844 361 G HN 0.300 nan 8.290 nan 0.000 0.571 362 L N 0.565 121.611 121.223 -0.295 0.000 2.319 362 L HA 0.480 4.821 4.340 0.002 0.000 0.281 362 L C 0.628 177.422 176.870 -0.125 0.000 1.005 362 L CA -0.224 54.537 54.840 -0.132 0.000 0.828 362 L CB 1.487 43.521 42.059 -0.041 0.000 1.227 362 L HN 0.699 nan 8.230 nan 0.000 0.415 363 E N 3.580 123.735 120.200 -0.076 0.000 2.498 363 E HA 0.115 4.466 4.350 0.002 0.000 0.203 363 E C -0.594 176.002 176.600 -0.008 0.000 1.013 363 E CA 0.097 56.464 56.400 -0.056 0.000 0.927 363 E CB 0.752 30.418 29.700 -0.057 0.000 1.012 363 E HN 0.791 nan 8.360 nan 0.000 0.482 364 E N -0.182 120.028 120.200 0.018 0.000 2.429 364 E HA 0.528 4.879 4.350 0.002 0.000 0.276 364 E C -1.289 175.387 176.600 0.126 0.000 0.953 364 E CA -0.956 55.476 56.400 0.054 0.000 0.787 364 E CB 1.738 31.445 29.700 0.011 0.000 1.307 364 E HN -0.103 nan 8.360 nan 0.000 0.458 365 F N 1.502 121.438 119.950 -0.024 0.000 2.581 365 F HA 0.468 4.997 4.527 0.003 0.000 0.311 365 F C -2.507 173.285 175.800 -0.015 0.000 1.113 365 F CA -1.602 56.387 58.000 -0.019 0.000 0.935 365 F CB 1.792 40.784 39.000 -0.013 0.000 1.232 365 F HN 0.461 nan 8.300 nan 0.000 0.445 366 P HA 0.384 nan 4.420 nan 0.000 0.276 366 P C -2.926 174.003 177.300 -0.617 0.000 1.261 366 P CA -1.345 60.995 63.100 -1.267 0.000 0.800 366 P CB 0.140 31.349 31.700 -0.818 0.000 1.066 367 P HA 0.195 nan 4.420 nan 0.000 0.269 367 P C -0.379 176.778 177.300 -0.239 0.000 1.215 367 P CA 0.175 63.110 63.100 -0.276 0.000 0.780 367 P CB 0.660 32.231 31.700 -0.215 0.000 0.898 368 K N 0.396 120.696 120.400 -0.167 0.000 2.281 368 K HA 0.593 4.915 4.320 0.002 0.000 0.242 368 K C -0.222 176.301 176.600 -0.129 0.000 0.971 368 K CA -0.718 55.488 56.287 -0.136 0.000 0.834 368 K CB 1.844 34.293 32.500 -0.085 0.000 1.181 368 K HN 0.342 nan 8.250 nan 0.000 0.435 369 S N 0.498 116.134 115.700 -0.106 0.000 2.532 369 S HA 0.272 4.743 4.470 0.002 0.000 0.301 369 S C 0.021 174.632 174.600 0.019 0.000 1.083 369 S CA -0.741 57.434 58.200 -0.041 0.000 1.025 369 S CB 0.812 63.993 63.200 -0.032 0.000 1.056 369 S HN 0.561 nan 8.310 nan 0.000 0.494 370 N N 2.565 121.294 118.700 0.048 0.000 2.412 370 N HA 0.193 4.934 4.740 0.002 0.000 0.184 370 N C 0.085 175.644 175.510 0.082 0.000 1.101 370 N CA 0.174 53.257 53.050 0.054 0.000 0.881 370 N CB -0.186 38.330 38.487 0.049 0.000 0.969 370 N HN 0.560 nan 8.380 nan 0.000 0.459 371 L N 0.870 122.156 121.223 0.105 0.000 2.452 371 L HA 0.087 4.429 4.340 0.002 0.000 0.267 371 L C 0.658 177.655 176.870 0.212 0.000 1.188 371 L CA -0.435 54.494 54.840 0.149 0.000 0.821 371 L CB 0.357 42.450 42.059 0.055 0.000 1.102 371 L HN -0.070 nan 8.230 nan 0.000 0.470 372 D N 3.721 124.287 120.400 0.277 0.000 2.358 372 D HA 0.067 4.709 4.640 0.002 0.000 0.258 372 D C -1.468 174.944 176.300 0.186 0.000 1.223 372 D CA -1.868 52.239 54.000 0.177 0.000 0.886 372 D CB 1.253 42.114 40.800 0.102 0.000 1.120 372 D HN 0.212 nan 8.370 nan 0.000 0.482 373 P HA -0.101 nan 4.420 nan 0.000 0.223 373 P C 0.926 178.259 177.300 0.055 0.000 1.151 373 P CA 0.576 63.745 63.100 0.115 0.000 0.787 373 P CB 0.200 31.950 31.700 0.084 0.000 0.788 374 A N -0.323 122.506 122.820 0.015 0.000 2.019 374 A HA -0.102 4.219 4.320 0.002 0.000 0.219 374 A C 2.212 179.743 177.584 -0.089 0.000 1.164 374 A CA 1.166 53.187 52.037 -0.025 0.000 0.644 374 A CB -1.219 17.765 19.000 -0.027 0.000 0.805 374 A HN 0.177 nan 8.150 nan 0.000 0.449 375 I N -3.171 117.291 120.570 -0.181 0.000 2.810 375 I HA -0.038 4.133 4.170 0.002 0.000 0.262 375 I C 1.574 177.392 176.117 -0.498 0.000 1.131 375 I CA 0.784 61.821 61.300 -0.437 0.000 1.453 375 I CB 0.079 37.614 38.000 -0.775 0.000 1.161 375 I HN 0.332 nan 8.210 nan 0.000 0.444 376 Y N 0.995 121.304 120.300 0.014 0.000 2.449 376 Y HA 0.476 5.028 4.550 0.002 0.000 0.254 376 Y C 1.168 177.098 175.900 0.050 0.000 1.140 376 Y CA 0.022 58.129 58.100 0.011 0.000 1.272 376 Y CB -0.002 38.464 38.460 0.010 0.000 1.114 376 Y HN 0.145 nan 8.280 nan 0.000 0.525 377 G N 0.695 109.588 108.800 0.155 0.000 2.746 377 G HA2 -0.234 3.727 3.960 0.002 0.000 0.685 377 G HA3 -0.234 3.727 3.960 0.002 0.000 0.685 377 G C -0.970 174.030 174.900 0.167 0.000 1.350 377 G CA -0.697 44.500 45.100 0.161 0.000 0.837 377 G HN 0.155 nan 8.290 nan 0.000 0.564 378 D N 0.151 120.629 120.400 0.131 0.000 2.662 378 D HA 0.066 4.707 4.640 0.002 0.000 0.233 378 D C 1.479 177.858 176.300 0.132 0.000 1.129 378 D CA 0.477 54.541 54.000 0.107 0.000 0.851 378 D CB 0.634 41.482 40.800 0.079 0.000 1.152 378 D HN 0.381 nan 8.370 nan 0.000 0.507 379 Q N 1.768 121.634 119.800 0.110 0.000 2.282 379 Q HA 0.075 4.417 4.340 0.002 0.000 0.206 379 Q C 0.099 176.101 176.000 0.002 0.000 0.878 379 Q CA -0.023 55.844 55.803 0.107 0.000 0.944 379 Q CB 0.176 28.992 28.738 0.130 0.000 1.100 379 Q HN 0.361 nan 8.270 nan 0.000 0.509 380 S N 1.397 117.098 115.700 0.001 0.000 2.563 380 S HA 0.012 4.484 4.470 0.002 0.000 0.294 380 S C 0.377 174.939 174.600 -0.064 0.000 1.279 380 S CA 0.046 58.220 58.200 -0.043 0.000 1.069 380 S CB 0.698 63.886 63.200 -0.019 0.000 0.828 380 S HN 0.208 nan 8.310 nan 0.000 0.497 381 S N 1.737 117.359 115.700 -0.129 0.000 2.564 381 S HA 0.169 4.640 4.470 0.002 0.000 0.278 381 S C 0.793 175.346 174.600 -0.078 0.000 1.333 381 S CA -0.499 57.621 58.200 -0.133 0.000 1.048 381 S CB 0.289 63.351 63.200 -0.230 0.000 0.900 381 S HN 0.562 nan 8.310 nan 0.000 0.505 382 K N 3.331 123.717 120.400 -0.024 0.000 2.358 382 K HA 0.296 4.617 4.320 0.002 0.000 0.197 382 K C -0.018 176.606 176.600 0.039 0.000 1.025 382 K CA 0.015 56.310 56.287 0.013 0.000 1.104 382 K CB -0.111 32.410 32.500 0.035 0.000 0.855 382 K HN 0.641 nan 8.250 nan 0.000 0.531 383 I N 3.061 123.653 120.570 0.036 0.000 2.517 383 I HA -0.060 4.111 4.170 0.002 0.000 0.285 383 I C 0.821 177.085 176.117 0.244 0.000 1.106 383 I CA 0.168 61.552 61.300 0.139 0.000 1.402 383 I CB 0.455 38.566 38.000 0.185 0.000 1.399 383 I HN 0.012 nan 8.210 nan 0.000 0.535 384 T N 2.780 117.463 114.554 0.216 0.000 2.882 384 T HA 0.473 4.824 4.350 0.002 0.000 0.287 384 T C 1.021 175.824 174.700 0.171 0.000 0.992 384 T CA -0.449 61.779 62.100 0.214 0.000 1.076 384 T CB 1.955 70.883 68.868 0.098 0.000 0.961 384 T HN 0.647 nan 8.240 nan 0.000 0.490 385 A N 2.360 125.248 122.820 0.113 0.000 1.940 385 A HA -0.069 4.252 4.320 0.002 0.000 0.219 385 A C 1.956 179.448 177.584 -0.153 0.000 1.176 385 A CA 1.531 53.426 52.037 -0.236 0.000 0.631 385 A CB -0.843 18.004 19.000 -0.255 0.000 0.814 385 A HN 0.873 nan 8.150 nan 0.000 0.446 386 D N -0.135 120.227 120.400 -0.063 0.000 2.264 386 D HA -0.096 4.545 4.640 0.002 0.000 0.208 386 D C 2.270 178.533 176.300 -0.063 0.000 0.966 386 D CA 1.471 55.434 54.000 -0.062 0.000 0.864 386 D CB -0.231 40.550 40.800 -0.031 0.000 0.933 386 D HN 0.594 nan 8.370 nan 0.000 0.499 387 S N -0.449 115.225 115.700 -0.043 0.000 2.555 387 S HA -0.017 4.455 4.470 0.002 0.000 0.230 387 S C 0.903 175.458 174.600 -0.074 0.000 0.978 387 S CA -0.041 58.134 58.200 -0.042 0.000 0.934 387 S CB -0.277 62.920 63.200 -0.004 0.000 0.766 387 S HN 0.118 nan 8.310 nan 0.000 0.533 388 L N 2.298 123.455 121.223 -0.109 0.000 2.292 388 L HA 0.425 4.766 4.340 0.002 0.000 0.284 388 L C -0.230 176.535 176.870 -0.176 0.000 1.065 388 L CA -0.662 54.095 54.840 -0.138 0.000 0.806 388 L CB 0.916 42.864 42.059 -0.185 0.000 1.175 388 L HN 0.075 nan 8.230 nan 0.000 0.431 389 D N 4.583 124.880 120.400 -0.172 0.000 2.453 389 D HA 0.191 4.832 4.640 0.002 0.000 0.223 389 D C 0.142 176.260 176.300 -0.304 0.000 1.183 389 D CA -0.036 53.852 54.000 -0.188 0.000 0.933 389 D CB 0.413 41.128 40.800 -0.142 0.000 1.038 389 D HN 0.371 nan 8.370 nan 0.000 0.513 390 L N 2.610 123.568 121.223 -0.442 0.000 2.978 390 L HA 0.225 4.566 4.340 0.002 0.000 0.239 390 L C 0.092 176.536 176.870 -0.709 0.000 1.293 390 L CA -0.432 53.808 54.840 -1.000 0.000 1.085 390 L CB -0.162 41.325 42.059 -0.954 0.000 1.432 390 L HN 0.191 nan 8.230 nan 0.000 0.512 391 D N 1.603 121.840 120.400 -0.272 0.000 2.737 391 D HA -0.219 4.423 4.640 0.002 0.000 0.233 391 D C 1.369 177.725 176.300 0.095 0.000 1.155 391 D CA 1.354 55.355 54.000 0.001 0.000 0.667 391 D CB -0.960 39.959 40.800 0.199 0.000 1.060 391 D HN 0.763 nan 8.370 nan 0.000 0.427 392 G N -1.758 107.040 108.800 -0.004 0.000 2.217 392 G HA2 -0.381 3.580 3.960 0.002 0.000 0.246 392 G HA3 -0.381 3.580 3.960 0.002 0.000 0.246 392 G C 0.249 175.135 174.900 -0.022 0.000 0.990 392 G CA 0.163 45.257 45.100 -0.010 0.000 0.627 392 G HN 0.413 nan 8.290 nan 0.000 0.522 393 Y N 2.714 122.926 120.300 -0.147 0.000 2.497 393 Y HA 0.423 4.974 4.550 0.001 0.000 0.334 393 Y C 1.774 177.588 175.900 -0.144 0.000 1.199 393 Y CA 0.619 58.655 58.100 -0.107 0.000 1.425 393 Y CB 0.658 39.072 38.460 -0.078 0.000 1.291 393 Y HN 0.334 nan 8.280 nan 0.000 0.562 394 T N -0.271 114.287 114.554 0.008 0.000 2.788 394 T HA 0.126 4.478 4.350 0.002 0.000 0.287 394 T C 1.148 175.840 174.700 -0.014 0.000 1.007 394 T CA -0.818 61.264 62.100 -0.030 0.000 1.005 394 T CB 0.726 69.572 68.868 -0.037 0.000 1.012 394 T HN 0.720 nan 8.240 nan 0.000 0.530 395 M N 0.744 120.296 119.600 -0.080 0.000 2.117 395 M HA -0.039 4.442 4.480 0.002 0.000 0.262 395 M C 1.504 177.789 176.300 -0.025 0.000 1.065 395 M CA 1.661 56.891 55.300 -0.117 0.000 1.114 395 M CB -1.343 31.132 32.600 -0.208 0.000 1.361 395 M HN 0.711 nan 8.290 nan 0.000 0.408 396 D N 0.150 120.546 120.400 -0.006 0.000 2.123 396 D HA -0.171 4.471 4.640 0.002 0.000 0.196 396 D C 1.954 178.285 176.300 0.052 0.000 0.992 396 D CA 1.550 55.562 54.000 0.020 0.000 0.833 396 D CB -0.226 40.581 40.800 0.011 0.000 0.954 396 D HN 0.579 nan 8.370 nan 0.000 0.455 397 E N 0.405 120.653 120.200 0.081 0.000 2.072 397 E HA -0.087 4.264 4.350 0.002 0.000 0.191 397 E C 2.115 178.876 176.600 0.268 0.000 0.985 397 E CA 0.912 57.409 56.400 0.162 0.000 0.801 397 E CB -0.025 29.765 29.700 0.150 0.000 0.750 397 E HN 0.182 nan 8.360 nan 0.000 0.452 398 A N 1.242 124.223 122.820 0.269 0.000 1.902 398 A HA -0.147 4.174 4.320 0.002 0.000 0.217 398 A C 2.199 179.841 177.584 0.096 0.000 1.181 398 A CA 0.995 53.174 52.037 0.237 0.000 0.623 398 A CB -0.616 18.505 19.000 0.201 0.000 0.818 398 A HN 0.110 nan 8.150 nan 0.000 0.443 399 L N -0.749 120.506 121.223 0.053 0.000 2.017 399 L HA -0.134 4.207 4.340 0.002 0.000 0.208 399 L C 2.870 179.743 176.870 0.005 0.000 1.073 399 L CA 1.242 56.087 54.840 0.008 0.000 0.745 399 L CB -0.901 41.170 42.059 0.019 0.000 0.894 399 L HN 0.489 nan 8.230 nan 0.000 0.432 400 G N -0.505 108.317 108.800 0.037 0.000 2.422 400 G HA2 -0.263 3.698 3.960 0.002 0.000 0.218 400 G HA3 -0.263 3.698 3.960 0.002 0.000 0.218 400 G C 1.613 176.536 174.900 0.038 0.000 1.146 400 G CA 0.990 46.110 45.100 0.034 0.000 0.769 400 G HN 0.508 nan 8.290 nan 0.000 0.547 401 S N -0.483 115.259 115.700 0.069 0.000 2.631 401 S HA 0.189 4.660 4.470 0.002 0.000 0.217 401 S C 1.039 175.645 174.600 0.009 0.000 0.958 401 S CA 0.045 58.285 58.200 0.068 0.000 0.920 401 S CB 0.158 63.450 63.200 0.153 0.000 0.776 401 S HN 0.246 nan 8.310 nan 0.000 0.517 402 R N 0.538 121.014 120.500 -0.040 0.000 3.423 402 R HA -0.122 4.220 4.340 0.002 0.000 0.271 402 R C 0.041 176.256 176.300 -0.142 0.000 1.093 402 R CA 0.630 56.657 56.100 -0.123 0.000 0.730 402 R CB -2.566 27.703 30.300 -0.052 0.000 1.190 402 R HN 0.624 nan 8.270 nan 0.000 0.437 403 R N -0.569 119.844 120.500 -0.146 0.000 2.397 403 R HA 0.204 4.545 4.340 0.002 0.000 0.241 403 R C 0.301 176.535 176.300 -0.111 0.000 0.914 403 R CA -0.329 55.681 56.100 -0.150 0.000 1.071 403 R CB 0.440 30.500 30.300 -0.399 0.000 1.116 403 R HN -0.087 nan 8.270 nan 0.000 0.524 404 L N 0.850 121.911 121.223 -0.270 0.000 2.295 404 L HA 0.474 4.815 4.340 0.002 0.000 0.285 404 L C -0.982 175.545 176.870 -0.572 0.000 1.035 404 L CA -0.197 54.554 54.840 -0.149 0.000 0.806 404 L CB 0.869 42.900 42.059 -0.046 0.000 1.214 404 L HN -0.186 nan 8.230 nan 0.000 0.426 405 F N 3.970 123.930 119.950 0.016 0.000 2.650 405 F HA 0.720 5.247 4.527 0.001 0.000 0.320 405 F C -0.199 175.602 175.800 0.001 0.000 1.091 405 F CA -0.685 57.303 58.000 -0.020 0.000 0.962 405 F CB 1.949 40.902 39.000 -0.078 0.000 1.363 405 F HN 0.318 nan 8.300 nan 0.000 0.482 406 M N 2.142 121.840 119.600 0.164 0.000 2.365 406 M HA 0.535 5.017 4.480 0.002 0.000 0.287 406 M C -2.329 173.960 176.300 -0.017 0.000 1.154 406 M CA -0.891 54.450 55.300 0.067 0.000 0.941 406 M CB 2.035 34.654 32.600 0.032 0.000 1.704 406 M HN 0.557 nan 8.290 nan 0.000 0.479 407 L N 4.447 125.633 121.223 -0.061 0.000 2.272 407 L HA 0.502 4.843 4.340 0.002 0.000 0.284 407 L C -1.308 175.407 176.870 -0.258 0.000 1.045 407 L CA 0.278 54.993 54.840 -0.208 0.000 0.842 407 L CB 0.773 42.741 42.059 -0.151 0.000 1.224 407 L HN 0.612 nan 8.230 nan 0.000 0.430 408 D N 3.417 123.593 120.400 -0.374 0.000 2.460 408 D HA 0.190 4.831 4.640 0.002 0.000 0.232 408 D C -0.444 175.701 176.300 -0.259 0.000 1.079 408 D CA -0.057 53.823 54.000 -0.200 0.000 0.864 408 D CB 0.532 41.268 40.800 -0.106 0.000 1.048 408 D HN 0.423 nan 8.370 nan 0.000 0.523 409 Y N 2.101 122.457 120.300 0.092 0.000 2.555 409 Y HA 0.095 4.647 4.550 0.003 0.000 0.259 409 Y C 1.882 177.929 175.900 0.245 0.000 1.179 409 Y CA -0.316 57.888 58.100 0.173 0.000 1.230 409 Y CB -0.135 38.392 38.460 0.113 0.000 1.146 409 Y HN 0.624 nan 8.280 nan 0.000 0.526 410 H N 0.595 119.783 119.070 0.197 0.000 2.270 410 H HA -0.133 4.424 4.556 0.002 0.000 0.299 410 H C 0.774 176.172 175.328 0.116 0.000 1.077 410 H CA 2.298 58.428 56.048 0.137 0.000 1.294 410 H CB 0.155 29.953 29.762 0.060 0.000 1.371 410 H HN 0.228 nan 8.280 nan 0.000 0.491 411 D N 0.316 120.864 120.400 0.247 0.000 2.183 411 D HA -0.050 4.591 4.640 0.002 0.000 0.203 411 D C 2.533 178.886 176.300 0.089 0.000 0.969 411 D CA 0.583 54.656 54.000 0.121 0.000 0.842 411 D CB -0.141 40.744 40.800 0.142 0.000 0.957 411 D HN 0.434 nan 8.370 nan 0.000 0.484 412 I N -0.494 120.188 120.570 0.187 0.000 2.179 412 I HA -0.252 3.920 4.170 0.002 0.000 0.242 412 I C 1.695 177.856 176.117 0.073 0.000 1.088 412 I CA 1.037 62.446 61.300 0.182 0.000 1.357 412 I CB -0.076 38.124 38.000 0.334 0.000 1.051 412 I HN -0.072 nan 8.210 nan 0.000 0.409 413 F N -0.883 119.134 119.950 0.110 0.000 2.446 413 F HA -0.018 4.510 4.527 0.002 0.000 0.292 413 F C 2.281 178.080 175.800 -0.001 0.000 1.096 413 F CA 0.419 58.471 58.000 0.086 0.000 1.438 413 F CB -0.306 38.733 39.000 0.066 0.000 1.107 413 F HN -0.040 nan 8.300 nan 0.000 0.546 414 M N 1.543 121.131 119.600 -0.020 0.000 2.108 414 M HA -0.168 4.313 4.480 0.002 0.000 0.257 414 M C -1.208 174.938 176.300 -0.257 0.000 1.071 414 M CA 2.286 57.420 55.300 -0.277 0.000 1.093 414 M CB -1.649 30.555 32.600 -0.660 0.000 1.345 414 M HN -0.183 nan 8.290 nan 0.000 0.403 415 P HA -0.072 nan 4.420 nan 0.000 0.230 415 P C 0.422 177.603 177.300 -0.199 0.000 1.158 415 P CA 1.291 64.324 63.100 -0.111 0.000 0.769 415 P CB -0.175 31.474 31.700 -0.084 0.000 0.807 416 Y N -2.404 117.863 120.300 -0.054 0.000 2.444 416 Y HA 0.052 4.604 4.550 0.002 0.000 0.249 416 Y C 2.094 177.969 175.900 -0.040 0.000 1.134 416 Y CA 0.042 58.093 58.100 -0.083 0.000 1.261 416 Y CB -0.231 38.166 38.460 -0.105 0.000 1.143 416 Y HN -0.301 nan 8.280 nan 0.000 0.523 417 V N 0.211 120.194 119.914 0.115 0.000 2.343 417 V HA -0.312 3.809 4.120 0.002 0.000 0.247 417 V C 2.281 178.391 176.094 0.026 0.000 1.051 417 V CA 1.918 64.266 62.300 0.080 0.000 1.036 417 V CB -0.370 31.471 31.823 0.030 0.000 0.654 417 V HN 0.343 nan 8.190 nan 0.000 0.451 418 R N 0.213 120.715 120.500 0.005 0.000 2.081 418 R HA -0.209 4.132 4.340 0.002 0.000 0.235 418 R C 2.484 178.772 176.300 -0.020 0.000 1.131 418 R CA 1.934 58.026 56.100 -0.012 0.000 0.960 418 R CB -0.353 29.938 30.300 -0.015 0.000 0.856 418 R HN 0.791 nan 8.270 nan 0.000 0.436 419 Q N 0.233 119.988 119.800 -0.075 0.000 2.187 419 Q HA -0.080 4.262 4.340 0.002 0.000 0.199 419 Q C 2.030 178.058 176.000 0.046 0.000 0.957 419 Q CA 1.135 56.872 55.803 -0.111 0.000 0.857 419 Q CB -0.192 28.281 28.738 -0.442 0.000 0.929 419 Q HN 0.358 nan 8.270 nan 0.000 0.453 420 I N 1.863 122.476 120.570 0.071 0.000 2.202 420 I HA -0.234 3.937 4.170 0.002 0.000 0.242 420 I C 1.470 177.661 176.117 0.123 0.000 1.091 420 I CA 1.076 62.488 61.300 0.186 0.000 1.368 420 I CB -0.317 37.800 38.000 0.195 0.000 1.058 420 I HN 0.231 nan 8.210 nan 0.000 0.410 421 N N 0.392 119.129 118.700 0.061 0.000 2.459 421 N HA -0.130 4.611 4.740 0.002 0.000 0.181 421 N C 1.699 177.230 175.510 0.034 0.000 1.046 421 N CA 0.635 53.699 53.050 0.023 0.000 0.904 421 N CB -0.170 38.301 38.487 -0.026 0.000 0.964 421 N HN 0.329 nan 8.380 nan 0.000 0.444 422 Q N 0.210 120.044 119.800 0.056 0.000 2.297 422 Q HA 0.067 4.408 4.340 0.002 0.000 0.204 422 Q C 0.337 176.381 176.000 0.073 0.000 0.962 422 Q CA 0.286 56.125 55.803 0.060 0.000 0.879 422 Q CB 0.019 28.801 28.738 0.073 0.000 0.947 422 Q HN 0.431 nan 8.270 nan 0.000 0.462 423 L N 2.187 123.467 121.223 0.095 0.000 2.439 423 L HA 0.070 4.412 4.340 0.002 0.000 0.269 423 L C 0.475 177.372 176.870 0.045 0.000 1.179 423 L CA -0.518 54.370 54.840 0.080 0.000 0.828 423 L CB 0.215 42.335 42.059 0.101 0.000 1.106 423 L HN -0.006 nan 8.230 nan 0.000 0.467 424 N N 1.039 119.756 118.700 0.028 0.000 2.454 424 N HA -0.015 4.727 4.740 0.002 0.000 0.254 424 N C 0.616 176.132 175.510 0.011 0.000 1.228 424 N CA 0.176 53.236 53.050 0.016 0.000 0.900 424 N CB 0.902 39.394 38.487 0.007 0.000 1.089 424 N HN 0.659 nan 8.380 nan 0.000 0.449 425 S N -1.762 113.943 115.700 0.008 0.000 3.445 425 S HA -0.201 4.270 4.470 0.002 0.000 0.319 425 S C -0.069 174.535 174.600 0.008 0.000 1.209 425 S CA 1.019 59.220 58.200 0.001 0.000 0.934 425 S CB -1.460 61.731 63.200 -0.015 0.000 0.999 425 S HN 0.941 nan 8.310 nan 0.000 0.582 426 A N 0.475 123.310 122.820 0.024 0.000 2.356 426 A HA 0.754 5.076 4.320 0.002 0.000 0.310 426 A C -0.330 177.272 177.584 0.030 0.000 1.075 426 A CA -0.660 51.399 52.037 0.037 0.000 0.746 426 A CB 1.243 20.283 19.000 0.067 0.000 1.221 426 A HN 0.067 nan 8.150 nan 0.000 0.443 427 K N 1.105 121.519 120.400 0.024 0.000 2.513 427 K HA 0.693 5.015 4.320 0.002 0.000 0.251 427 K C -1.065 175.516 176.600 -0.032 0.000 0.939 427 K CA -0.326 55.944 56.287 -0.027 0.000 0.793 427 K CB 2.047 34.516 32.500 -0.052 0.000 1.241 427 K HN 0.751 nan 8.250 nan 0.000 0.431 428 T N 1.052 115.537 114.554 -0.116 0.000 2.865 428 T HA 0.706 5.057 4.350 0.002 0.000 0.294 428 T C -1.407 173.102 174.700 -0.317 0.000 1.119 428 T CA -0.433 61.605 62.100 -0.103 0.000 1.007 428 T CB 0.729 69.612 68.868 0.025 0.000 1.225 428 T HN 0.325 nan 8.240 nan 0.000 0.515 429 Y N 0.344 120.559 120.300 -0.141 0.000 2.587 429 Y HA 0.699 5.250 4.550 0.003 0.000 0.337 429 Y C 0.512 176.347 175.900 -0.108 0.000 1.065 429 Y CA -1.054 56.958 58.100 -0.147 0.000 1.126 429 Y CB 1.649 39.972 38.460 -0.228 0.000 1.279 429 Y HN 0.765 nan 8.280 nan 0.000 0.489 430 A N 1.526 124.416 122.820 0.116 0.000 2.279 430 A HA 0.518 4.839 4.320 0.002 0.000 0.306 430 A C 0.026 177.683 177.584 0.121 0.000 1.300 430 A CA -0.375 51.707 52.037 0.075 0.000 0.925 430 A CB -0.705 18.265 19.000 -0.051 0.000 1.152 430 A HN 0.693 nan 8.150 nan 0.000 0.544 431 T N 0.543 115.167 114.554 0.118 0.000 2.943 431 T HA 0.733 5.084 4.350 0.002 0.000 0.284 431 T C -0.180 174.641 174.700 0.203 0.000 1.015 431 T CA -0.786 61.402 62.100 0.148 0.000 1.042 431 T CB 1.383 70.328 68.868 0.128 0.000 1.055 431 T HN 0.724 nan 8.240 nan 0.000 0.500 432 R N 0.452 121.048 120.500 0.160 0.000 2.621 432 R HA 0.566 4.908 4.340 0.002 0.000 0.284 432 R C -1.407 174.978 176.300 0.141 0.000 0.998 432 R CA -0.535 55.642 56.100 0.129 0.000 0.895 432 R CB 2.110 32.467 30.300 0.095 0.000 1.195 432 R HN 0.837 nan 8.270 nan 0.000 0.450 433 T N 4.991 119.629 114.554 0.140 0.000 2.812 433 T HA 0.443 4.794 4.350 0.002 0.000 0.282 433 T C -0.445 174.363 174.700 0.179 0.000 0.990 433 T CA -0.607 61.614 62.100 0.202 0.000 0.960 433 T CB 0.927 69.941 68.868 0.243 0.000 0.948 433 T HN 0.283 nan 8.240 nan 0.000 0.438 434 I N 4.235 124.940 120.570 0.226 0.000 2.353 434 I HA 0.439 4.611 4.170 0.002 0.000 0.293 434 I C -0.202 176.058 176.117 0.239 0.000 0.992 434 I CA -0.877 60.554 61.300 0.218 0.000 1.268 434 I CB 0.874 39.020 38.000 0.242 0.000 1.387 434 I HN 0.506 nan 8.210 nan 0.000 0.478 435 L N 6.310 127.669 121.223 0.225 0.000 2.342 435 L HA 0.515 4.856 4.340 0.002 0.000 0.271 435 L C -0.686 176.365 176.870 0.300 0.000 1.008 435 L CA -0.601 54.377 54.840 0.230 0.000 0.818 435 L CB 2.058 44.203 42.059 0.142 0.000 1.296 435 L HN 0.340 nan 8.230 nan 0.000 0.427 436 F N 2.926 122.932 119.950 0.093 0.000 2.482 436 F HA 0.554 5.082 4.527 0.002 0.000 0.331 436 F C -0.760 175.060 175.800 0.034 0.000 1.115 436 F CA -1.058 56.974 58.000 0.052 0.000 0.955 436 F CB 1.566 40.555 39.000 -0.019 0.000 1.136 436 F HN 0.264 nan 8.300 nan 0.000 0.452 437 L N 7.668 128.490 121.223 -0.669 0.000 2.342 437 L HA 0.409 4.750 4.340 0.002 0.000 0.285 437 L C 0.081 176.355 176.870 -0.993 0.000 1.095 437 L CA 0.076 54.560 54.840 -0.593 0.000 0.843 437 L CB -0.143 41.739 42.059 -0.293 0.000 1.201 437 L HN 0.623 nan 8.230 nan 0.000 0.445 438 R N 3.348 123.529 120.500 -0.532 0.000 2.827 438 R HA 0.039 4.380 4.340 0.002 0.000 0.269 438 R C 0.923 177.092 176.300 -0.218 0.000 1.048 438 R CA -0.150 55.784 56.100 -0.277 0.000 1.173 438 R CB 0.394 30.682 30.300 -0.019 0.000 1.070 438 R HN 0.642 nan 8.270 nan 0.000 0.498 439 E N 1.062 121.226 120.200 -0.060 0.000 2.204 439 E HA -0.205 4.146 4.350 0.002 0.000 0.195 439 E C 1.018 177.613 176.600 -0.009 0.000 0.990 439 E CA 1.472 57.868 56.400 -0.006 0.000 0.821 439 E CB -0.037 29.726 29.700 0.105 0.000 0.750 439 E HN 0.597 nan 8.360 nan 0.000 0.477 440 D N -0.588 119.810 120.400 -0.003 0.000 2.378 440 D HA -0.045 4.597 4.640 0.002 0.000 0.227 440 D C 1.291 177.575 176.300 -0.027 0.000 1.012 440 D CA 0.933 54.931 54.000 -0.002 0.000 0.905 440 D CB 0.080 40.889 40.800 0.014 0.000 0.895 440 D HN 0.221 nan 8.370 nan 0.000 0.532 441 G N -0.442 108.319 108.800 -0.064 0.000 2.175 441 G HA2 -0.249 3.712 3.960 0.002 0.000 0.244 441 G HA3 -0.249 3.712 3.960 0.002 0.000 0.244 441 G C 0.467 175.304 174.900 -0.104 0.000 0.982 441 G CA 0.501 45.551 45.100 -0.083 0.000 0.641 441 G HN 0.841 nan 8.290 nan 0.000 0.527 442 T N -0.674 113.827 114.554 -0.089 0.000 2.934 442 T HA 0.749 5.100 4.350 0.002 0.000 0.283 442 T C 0.406 175.035 174.700 -0.118 0.000 1.005 442 T CA -0.827 61.221 62.100 -0.088 0.000 1.041 442 T CB 2.199 71.046 68.868 -0.035 0.000 1.042 442 T HN 0.466 nan 8.240 nan 0.000 0.505 443 L N 1.974 123.123 121.223 -0.124 0.000 2.357 443 L HA 0.532 4.873 4.340 0.002 0.000 0.273 443 L C 0.468 177.343 176.870 0.009 0.000 1.080 443 L CA -0.815 53.961 54.840 -0.107 0.000 0.803 443 L CB 1.072 43.031 42.059 -0.166 0.000 1.174 443 L HN 0.808 nan 8.230 nan 0.000 0.443 444 K N 2.489 122.942 120.400 0.089 0.000 2.378 444 K HA 0.615 4.936 4.320 0.002 0.000 0.252 444 K C -2.933 173.807 176.600 0.232 0.000 0.931 444 K CA -1.982 54.406 56.287 0.167 0.000 0.794 444 K CB 2.155 34.759 32.500 0.172 0.000 1.181 444 K HN 0.122 nan 8.250 nan 0.000 0.425 445 P HA 0.014 nan 4.420 nan 0.000 0.285 445 P C 0.462 177.955 177.300 0.323 0.000 1.259 445 P CA -0.605 62.756 63.100 0.434 0.000 0.794 445 P CB 1.485 33.647 31.700 0.771 0.000 0.940 446 V N -0.330 119.745 119.914 0.269 0.000 3.548 446 V HA 0.732 4.853 4.120 0.002 0.000 0.279 446 V C 0.336 176.491 176.094 0.102 0.000 1.446 446 V CA 0.283 62.645 62.300 0.103 0.000 1.023 446 V CB -0.182 31.672 31.823 0.052 0.000 0.820 446 V HN 0.654 nan 8.190 nan 0.000 0.438 447 A N 0.065 123.051 122.820 0.276 0.000 2.605 447 A HA 0.831 5.152 4.320 0.002 0.000 0.294 447 A C -1.495 176.329 177.584 0.400 0.000 1.062 447 A CA -0.456 51.764 52.037 0.304 0.000 0.682 447 A CB 1.466 20.588 19.000 0.205 0.000 1.278 447 A HN 0.283 nan 8.150 nan 0.000 0.410 448 I N 1.077 121.885 120.570 0.396 0.000 2.466 448 I HA 0.389 4.561 4.170 0.002 0.000 0.289 448 I C -0.232 175.972 176.117 0.145 0.000 1.026 448 I CA -0.259 61.184 61.300 0.239 0.000 1.078 448 I CB 2.128 40.205 38.000 0.127 0.000 1.249 448 I HN 0.839 nan 8.210 nan 0.000 0.429 449 E N 7.170 127.433 120.200 0.105 0.000 2.156 449 E HA 0.477 4.829 4.350 0.002 0.000 0.279 449 E C -1.421 175.181 176.600 0.002 0.000 0.965 449 E CA -0.600 55.835 56.400 0.057 0.000 0.789 449 E CB 1.196 30.939 29.700 0.072 0.000 1.098 449 E HN 0.522 nan 8.360 nan 0.000 0.397 450 L N 4.024 125.173 121.223 -0.124 0.000 2.283 450 L HA 0.352 4.693 4.340 0.002 0.000 0.281 450 L C -0.475 176.339 176.870 -0.093 0.000 1.033 450 L CA -0.510 54.115 54.840 -0.357 0.000 0.848 450 L CB 1.335 42.764 42.059 -1.050 0.000 1.226 450 L HN 0.447 nan 8.230 nan 0.000 0.429 451 S N 3.949 119.722 115.700 0.122 0.000 2.549 451 S HA 0.773 5.245 4.470 0.002 0.000 0.297 451 S C -0.300 174.400 174.600 0.168 0.000 1.115 451 S CA -0.547 57.765 58.200 0.186 0.000 1.059 451 S CB 1.960 65.299 63.200 0.233 0.000 1.046 451 S HN 0.352 nan 8.310 nan 0.000 0.506 452 L N 3.103 124.352 121.223 0.044 0.000 2.388 452 L HA 0.558 4.899 4.340 0.002 0.000 0.264 452 L C -2.440 174.149 176.870 -0.467 0.000 0.998 452 L CA -2.558 52.181 54.840 -0.169 0.000 0.817 452 L CB 2.368 44.325 42.059 -0.169 0.000 1.338 452 L HN 0.385 nan 8.230 nan 0.000 0.414 453 P HA 0.143 nan 4.420 nan 0.000 0.271 453 P C -1.428 175.651 177.300 -0.369 0.000 1.218 453 P CA 0.021 63.024 63.100 -0.162 0.000 0.780 453 P CB 0.651 32.401 31.700 0.082 0.000 0.901 454 H N 0.097 119.233 119.070 0.109 0.000 2.840 454 H HA 0.452 5.009 4.556 0.002 0.000 0.340 454 H C -0.087 175.266 175.328 0.043 0.000 1.004 454 H CA -0.341 55.747 56.048 0.066 0.000 1.288 454 H CB 1.939 31.742 29.762 0.067 0.000 1.607 454 H HN 0.510 nan 8.280 nan 0.000 0.522 455 S N 0.381 116.161 115.700 0.134 0.000 2.607 455 S HA 0.607 5.078 4.470 0.002 0.000 0.273 455 S C 1.036 175.665 174.600 0.048 0.000 1.148 455 S CA -0.278 57.959 58.200 0.063 0.000 0.833 455 S CB 1.866 65.068 63.200 0.004 0.000 1.130 455 S HN 0.552 nan 8.310 nan 0.000 0.470 456 A N 1.335 124.171 122.820 0.025 0.000 1.903 456 A HA 0.136 4.457 4.320 0.002 0.000 0.219 456 A C 1.704 179.297 177.584 0.016 0.000 1.191 456 A CA 1.824 53.871 52.037 0.018 0.000 0.638 456 A CB -1.596 17.409 19.000 0.007 0.000 0.823 456 A HN 1.681 nan 8.150 nan 0.000 0.451 457 G N 0.302 109.107 108.800 0.008 0.000 3.316 457 G HA2 0.420 4.382 3.960 0.002 0.000 0.255 457 G HA3 0.420 4.382 3.960 0.002 0.000 0.255 457 G C -1.053 173.855 174.900 0.014 0.000 0.880 457 G CA -0.170 44.933 45.100 0.006 0.000 1.956 457 G HN 0.265 nan 8.290 nan 0.000 0.634 458 D N 0.342 120.759 120.400 0.029 0.000 2.375 458 D HA 0.337 4.978 4.640 0.002 0.000 0.247 458 D C 1.318 177.639 176.300 0.036 0.000 1.061 458 D CA -0.582 53.442 54.000 0.040 0.000 0.834 458 D CB 2.255 43.100 40.800 0.075 0.000 1.247 458 D HN 0.009 nan 8.370 nan 0.000 0.489 459 L N 0.492 121.733 121.223 0.030 0.000 2.162 459 L HA 0.044 4.385 4.340 0.002 0.000 0.205 459 L C 1.305 178.195 176.870 0.033 0.000 1.086 459 L CA 0.600 55.456 54.840 0.026 0.000 0.778 459 L CB -0.041 42.030 42.059 0.020 0.000 0.928 459 L HN 0.236 nan 8.230 nan 0.000 0.446 460 S N 0.026 115.750 115.700 0.040 0.000 2.548 460 S HA 0.364 4.836 4.470 0.002 0.000 0.277 460 S C 0.866 175.506 174.600 0.065 0.000 1.315 460 S CA -0.066 58.161 58.200 0.045 0.000 1.050 460 S CB 1.608 64.830 63.200 0.038 0.000 0.918 460 S HN 0.245 nan 8.310 nan 0.000 0.497 461 A N 4.204 127.057 122.820 0.055 0.000 2.275 461 A HA 0.594 4.915 4.320 0.002 0.000 0.212 461 A C 1.083 178.710 177.584 0.072 0.000 1.201 461 A CA 0.320 52.389 52.037 0.053 0.000 0.843 461 A CB -0.641 18.380 19.000 0.034 0.000 0.873 461 A HN 1.185 nan 8.150 nan 0.000 0.492 462 A N 0.380 123.255 122.820 0.091 0.000 2.531 462 A HA 0.456 4.777 4.320 0.002 0.000 0.236 462 A C 0.494 178.200 177.584 0.204 0.000 1.062 462 A CA 0.538 52.647 52.037 0.120 0.000 0.760 462 A CB -0.225 18.827 19.000 0.086 0.000 0.995 462 A HN 1.330 nan 8.150 nan 0.000 0.501 463 V N 0.488 120.519 119.914 0.195 0.000 2.815 463 V HA 0.753 4.875 4.120 0.002 0.000 0.314 463 V C 0.277 176.547 176.094 0.293 0.000 1.064 463 V CA -0.667 61.751 62.300 0.196 0.000 0.952 463 V CB 1.401 33.261 31.823 0.062 0.000 1.020 463 V HN 0.868 nan 8.190 nan 0.000 0.439 464 S N 3.110 119.041 115.700 0.385 0.000 2.584 464 S HA 0.508 4.979 4.470 0.002 0.000 0.270 464 S C -0.179 174.498 174.600 0.128 0.000 1.346 464 S CA -0.483 57.880 58.200 0.270 0.000 1.018 464 S CB 0.379 63.757 63.200 0.297 0.000 0.899 464 S HN 1.065 nan 8.310 nan 0.000 0.542 465 Q N -1.053 118.772 119.800 0.041 0.000 2.575 465 Q HA 0.649 4.991 4.340 0.002 0.000 0.290 465 Q C -2.047 173.954 176.000 0.002 0.000 0.963 465 Q CA -1.048 54.769 55.803 0.023 0.000 0.783 465 Q CB 1.149 29.900 28.738 0.021 0.000 1.467 465 Q HN 0.369 nan 8.270 nan 0.000 0.402 466 V N 1.247 121.184 119.914 0.039 0.000 2.435 466 V HA 0.552 4.673 4.120 0.002 0.000 0.290 466 V C -0.515 175.633 176.094 0.090 0.000 1.030 466 V CA -0.587 61.753 62.300 0.066 0.000 0.881 466 V CB 1.604 33.474 31.823 0.079 0.000 0.983 466 V HN 0.603 nan 8.190 nan 0.000 0.445 467 V N 6.185 126.186 119.914 0.145 0.000 2.540 467 V HA 0.554 4.676 4.120 0.002 0.000 0.302 467 V C -0.255 176.027 176.094 0.314 0.000 1.035 467 V CA -0.543 61.892 62.300 0.225 0.000 0.873 467 V CB 1.752 33.735 31.823 0.267 0.000 0.992 467 V HN 0.630 nan 8.190 nan 0.000 0.428 468 L N 4.572 125.879 121.223 0.140 0.000 2.322 468 L HA 0.601 4.942 4.340 0.002 0.000 0.269 468 L C -2.466 174.035 176.870 -0.614 0.000 1.012 468 L CA -2.165 52.581 54.840 -0.156 0.000 0.815 468 L CB 2.107 44.086 42.059 -0.133 0.000 1.295 468 L HN 0.370 nan 8.230 nan 0.000 0.438 469 P HA 0.135 nan 4.420 nan 0.000 0.265 469 P C -1.176 175.657 177.300 -0.778 0.000 1.187 469 P CA 0.166 62.243 63.100 -1.705 0.000 0.766 469 P CB 0.661 31.701 31.700 -1.099 0.000 0.820 470 A N 2.637 125.086 122.820 -0.618 0.000 2.577 470 A HA 0.390 4.711 4.320 0.002 0.000 0.297 470 A C 0.133 177.646 177.584 -0.118 0.000 1.060 470 A CA -0.571 51.323 52.037 -0.238 0.000 0.697 470 A CB 1.285 20.219 19.000 -0.110 0.000 1.281 470 A HN 0.436 nan 8.150 nan 0.000 0.402 471 K N 0.386 120.730 120.400 -0.094 0.000 2.380 471 K HA 0.199 4.520 4.320 0.002 0.000 0.198 471 K C -0.076 176.485 176.600 -0.065 0.000 1.070 471 K CA 0.479 56.727 56.287 -0.065 0.000 1.040 471 K CB 0.937 33.396 32.500 -0.067 0.000 0.903 471 K HN 0.764 nan 8.250 nan 0.000 0.549 472 E N 0.227 120.391 120.200 -0.060 0.000 2.299 472 E HA 0.429 4.780 4.350 0.002 0.000 0.265 472 E C -0.077 176.495 176.600 -0.046 0.000 0.911 472 E CA -0.604 55.762 56.400 -0.056 0.000 0.789 472 E CB 1.939 31.612 29.700 -0.045 0.000 1.246 472 E HN 0.172 nan 8.360 nan 0.000 0.427 473 G N 0.073 108.844 108.800 -0.048 0.000 2.749 473 G HA2 -0.306 3.656 3.960 0.002 0.000 0.242 473 G HA3 -0.306 3.656 3.960 0.002 0.000 0.242 473 G C 0.741 175.618 174.900 -0.037 0.000 1.364 473 G CA -0.203 44.877 45.100 -0.033 0.000 0.888 473 G HN 0.520 nan 8.290 nan 0.000 0.566 474 V N 0.357 120.255 119.914 -0.027 0.000 2.469 474 V HA -0.146 3.975 4.120 0.002 0.000 0.251 474 V C 2.685 178.770 176.094 -0.016 0.000 1.064 474 V CA 3.385 65.651 62.300 -0.056 0.000 1.066 474 V CB -0.631 31.131 31.823 -0.101 0.000 0.667 474 V HN 0.764 nan 8.190 nan 0.000 0.461 475 E N 0.680 120.890 120.200 0.016 0.000 2.153 475 E HA -0.161 4.191 4.350 0.002 0.000 0.194 475 E C 2.383 179.029 176.600 0.076 0.000 0.988 475 E CA 1.528 57.958 56.400 0.049 0.000 0.811 475 E CB -0.412 29.306 29.700 0.029 0.000 0.746 475 E HN 0.853 nan 8.360 nan 0.000 0.466 476 S N -0.536 115.185 115.700 0.036 0.000 2.402 476 S HA -0.132 4.339 4.470 0.002 0.000 0.229 476 S C 2.014 176.670 174.600 0.094 0.000 1.021 476 S CA 1.441 59.680 58.200 0.064 0.000 0.974 476 S CB -0.541 62.647 63.200 -0.020 0.000 0.800 476 S HN 0.150 nan 8.310 nan 0.000 0.484 477 T N 2.588 117.166 114.554 0.040 0.000 2.812 477 T HA 0.208 4.559 4.350 0.002 0.000 0.264 477 T C 1.705 176.473 174.700 0.113 0.000 1.042 477 T CA 1.252 63.394 62.100 0.069 0.000 1.140 477 T CB -0.430 68.461 68.868 0.039 0.000 0.870 477 T HN 0.395 nan 8.240 nan 0.000 0.445 478 I N 0.346 120.980 120.570 0.106 0.000 2.226 478 I HA -0.174 3.998 4.170 0.002 0.000 0.245 478 I C 2.436 178.666 176.117 0.189 0.000 1.100 478 I CA 1.242 62.626 61.300 0.139 0.000 1.374 478 I CB -0.281 37.800 38.000 0.134 0.000 1.057 478 I HN 0.465 nan 8.210 nan 0.000 0.413 479 W N 1.554 122.862 121.300 0.014 0.000 2.381 479 W HA -0.227 4.434 4.660 0.002 0.000 0.301 479 W C 2.296 178.805 176.519 -0.017 0.000 1.205 479 W CA 0.894 58.232 57.345 -0.012 0.000 1.285 479 W CB -0.177 29.261 29.460 -0.038 0.000 1.133 479 W HN 0.136 nan 8.180 nan 0.000 0.521 480 L N 1.701 122.903 121.223 -0.036 0.000 2.042 480 L HA -0.223 4.118 4.340 0.002 0.000 0.210 480 L C 2.473 179.346 176.870 0.004 0.000 1.076 480 L CA 2.013 56.806 54.840 -0.077 0.000 0.749 480 L CB -1.163 40.964 42.059 0.112 0.000 0.893 480 L HN -0.006 nan 8.230 nan 0.000 0.432 481 L N -0.901 120.357 121.223 0.058 0.000 2.056 481 L HA -0.157 4.184 4.340 0.002 0.000 0.207 481 L C 2.685 179.499 176.870 -0.093 0.000 1.078 481 L CA 1.073 55.887 54.840 -0.044 0.000 0.749 481 L CB -0.937 41.151 42.059 0.048 0.000 0.901 481 L HN 0.377 nan 8.230 nan 0.000 0.433 482 A N 0.269 123.072 122.820 -0.027 0.000 1.908 482 A HA -0.249 4.073 4.320 0.002 0.000 0.218 482 A C 2.334 179.783 177.584 -0.227 0.000 1.181 482 A CA 1.842 53.861 52.037 -0.030 0.000 0.627 482 A CB -0.390 18.528 19.000 -0.135 0.000 0.818 482 A HN 0.331 nan 8.150 nan 0.000 0.445 483 K N -0.476 119.586 120.400 -0.563 0.000 2.057 483 K HA -0.095 4.227 4.320 0.002 0.000 0.207 483 K C 2.339 178.827 176.600 -0.187 0.000 1.049 483 K CA 1.158 57.054 56.287 -0.651 0.000 0.931 483 K CB -0.362 31.506 32.500 -1.054 0.000 0.714 483 K HN 0.457 nan 8.250 nan 0.000 0.440 484 A N 0.779 123.504 122.820 -0.158 0.000 1.902 484 A HA -0.183 4.138 4.320 0.002 0.000 0.217 484 A C 1.903 179.371 177.584 -0.193 0.000 1.181 484 A CA 1.341 53.267 52.037 -0.184 0.000 0.623 484 A CB -0.752 17.965 19.000 -0.472 0.000 0.818 484 A HN 0.257 nan 8.150 nan 0.000 0.443 485 Y N -0.196 120.069 120.300 -0.059 0.000 2.181 485 Y HA -0.169 4.382 4.550 0.002 0.000 0.288 485 Y C 2.640 178.524 175.900 -0.027 0.000 1.146 485 Y CA 1.230 59.322 58.100 -0.014 0.000 1.164 485 Y CB -0.843 37.652 38.460 0.059 0.000 0.982 485 Y HN 0.090 nan 8.280 nan 0.000 0.515 486 V N 0.038 120.052 119.914 0.166 0.000 2.255 486 V HA -0.316 3.806 4.120 0.002 0.000 0.247 486 V C 2.228 178.403 176.094 0.135 0.000 1.051 486 V CA 1.655 64.061 62.300 0.178 0.000 1.018 486 V CB -0.627 31.379 31.823 0.305 0.000 0.641 486 V HN 0.335 nan 8.190 nan 0.000 0.445 487 I N -0.346 120.316 120.570 0.152 0.000 2.493 487 I HA -0.137 4.034 4.170 0.002 0.000 0.254 487 I C 2.439 178.574 176.117 0.030 0.000 1.160 487 I CA 1.217 62.584 61.300 0.112 0.000 1.445 487 I CB -1.144 36.938 38.000 0.137 0.000 1.086 487 I HN 0.177 nan 8.210 nan 0.000 0.433 488 V N 1.430 121.338 119.914 -0.011 0.000 2.295 488 V HA -0.290 3.832 4.120 0.002 0.000 0.246 488 V C 2.198 178.239 176.094 -0.087 0.000 1.049 488 V CA 1.947 64.234 62.300 -0.021 0.000 1.024 488 V CB -0.913 30.897 31.823 -0.022 0.000 0.648 488 V HN 0.475 nan 8.190 nan 0.000 0.447 489 N N -0.067 118.457 118.700 -0.293 0.000 2.061 489 N HA -0.271 4.471 4.740 0.002 0.000 0.193 489 N C 1.673 176.844 175.510 -0.565 0.000 1.030 489 N CA 1.810 54.380 53.050 -0.799 0.000 0.856 489 N CB -0.186 37.684 38.487 -1.029 0.000 1.023 489 N HN 0.581 nan 8.380 nan 0.000 0.424 490 D N 0.052 120.267 120.400 -0.308 0.000 2.117 490 D HA -0.037 4.605 4.640 0.002 0.000 0.198 490 D C 1.864 178.259 176.300 0.158 0.000 0.982 490 D CA 0.930 54.916 54.000 -0.025 0.000 0.828 490 D CB 0.133 41.041 40.800 0.181 0.000 0.967 490 D HN 0.001 nan 8.370 nan 0.000 0.464 491 S N -0.909 114.884 115.700 0.156 0.000 2.368 491 S HA -0.196 4.276 4.470 0.002 0.000 0.225 491 S C 2.165 176.976 174.600 0.351 0.000 1.030 491 S CA 0.947 59.324 58.200 0.295 0.000 0.999 491 S CB -0.512 62.867 63.200 0.297 0.000 0.844 491 S HN 0.565 nan 8.310 nan 0.000 0.459 492 C N 0.453 119.931 119.300 0.298 0.000 2.446 492 C HA -0.073 4.389 4.460 0.002 0.000 0.277 492 C C 2.276 177.356 174.990 0.151 0.000 1.275 492 C CA 0.657 59.821 59.018 0.242 0.000 1.727 492 C CB -1.364 26.615 27.740 0.398 0.000 2.010 492 C HN 0.679 nan 8.230 nan 0.000 0.486 493 Y N 0.154 120.539 120.300 0.141 0.000 2.220 493 Y HA -0.118 4.433 4.550 0.002 0.000 0.291 493 Y C 2.716 178.713 175.900 0.162 0.000 1.129 493 Y CA 2.278 60.467 58.100 0.150 0.000 1.161 493 Y CB -0.845 37.760 38.460 0.241 0.000 0.997 493 Y HN 0.561 nan 8.280 nan 0.000 0.522 494 H N -0.378 118.849 119.070 0.262 0.000 2.319 494 H HA -0.172 4.386 4.556 0.002 0.000 0.299 494 H C 1.767 177.148 175.328 0.090 0.000 1.092 494 H CA 1.983 58.145 56.048 0.190 0.000 1.302 494 H CB 0.122 29.991 29.762 0.179 0.000 1.373 494 H HN 0.359 nan 8.280 nan 0.000 0.497 495 Q N 0.332 120.056 119.800 -0.126 0.000 2.083 495 Q HA -0.025 4.316 4.340 0.002 0.000 0.198 495 Q C 2.808 178.643 176.000 -0.275 0.000 0.969 495 Q CA 0.750 56.371 55.803 -0.303 0.000 0.838 495 Q CB 0.144 28.542 28.738 -0.566 0.000 0.900 495 Q HN 0.512 nan 8.270 nan 0.000 0.436 496 L N -0.661 120.400 121.223 -0.270 0.000 2.202 496 L HA -0.057 4.285 4.340 0.002 0.000 0.205 496 L C 2.041 178.854 176.870 -0.095 0.000 1.083 496 L CA 0.509 55.245 54.840 -0.173 0.000 0.790 496 L CB -0.141 41.782 42.059 -0.227 0.000 0.942 496 L HN 0.180 nan 8.230 nan 0.000 0.452 497 M N -1.536 117.899 119.600 -0.275 0.000 2.751 497 M HA 0.111 4.593 4.480 0.002 0.000 0.252 497 M C 2.388 178.606 176.300 -0.137 0.000 1.264 497 M CA 0.945 56.052 55.300 -0.321 0.000 1.237 497 M CB -1.105 30.942 32.600 -0.922 0.000 1.242 497 M HN -0.095 nan 8.290 nan 0.000 0.525 498 S N -0.210 115.424 115.700 -0.110 0.000 2.383 498 S HA -0.124 4.347 4.470 0.002 0.000 0.227 498 S C 1.867 176.515 174.600 0.080 0.000 1.026 498 S CA 1.324 59.566 58.200 0.070 0.000 0.981 498 S CB -0.323 62.987 63.200 0.184 0.000 0.818 498 S HN 0.552 nan 8.310 nan 0.000 0.472 499 H N -1.311 117.660 119.070 -0.165 0.000 2.320 499 H HA 0.028 4.586 4.556 0.002 0.000 0.318 499 H C 2.140 177.522 175.328 0.090 0.000 1.098 499 H CA 0.270 56.271 56.048 -0.079 0.000 1.569 499 H CB -0.338 29.233 29.762 -0.318 0.000 1.506 499 H HN 0.439 nan 8.280 nan 0.000 0.632 500 W N 1.657 122.847 121.300 -0.182 0.000 2.329 500 W HA -0.247 4.414 4.660 0.002 0.000 0.324 500 W C 2.037 178.519 176.519 -0.062 0.000 1.222 500 W CA 1.542 58.759 57.345 -0.212 0.000 1.270 500 W CB -0.600 28.676 29.460 -0.307 0.000 1.167 500 W HN 0.378 nan 8.180 nan 0.000 0.467 501 L N 2.178 123.261 121.223 -0.233 0.000 2.027 501 L HA -0.173 4.168 4.340 0.002 0.000 0.206 501 L C 1.916 178.627 176.870 -0.266 0.000 1.074 501 L CA 2.250 56.875 54.840 -0.358 0.000 0.745 501 L CB -1.329 40.666 42.059 -0.107 0.000 0.898 501 L HN -0.126 nan 8.230 nan 0.000 0.433 502 N N -1.200 117.486 118.700 -0.023 0.000 2.409 502 N HA -0.056 4.685 4.740 0.002 0.000 0.179 502 N C 1.482 177.093 175.510 0.168 0.000 1.032 502 N CA 1.295 54.450 53.050 0.175 0.000 0.898 502 N CB -0.133 38.513 38.487 0.265 0.000 0.971 502 N HN 0.684 nan 8.380 nan 0.000 0.441 503 T N -2.450 112.152 114.554 0.080 0.000 3.587 503 T HA 0.081 4.433 4.350 0.002 0.000 0.221 503 T C 1.606 176.241 174.700 -0.109 0.000 0.921 503 T CA 0.120 62.269 62.100 0.082 0.000 1.426 503 T CB -0.415 68.593 68.868 0.234 0.000 1.340 503 T HN 0.013 nan 8.240 nan 0.000 0.423 504 H N 1.772 120.679 119.070 -0.271 0.000 2.267 504 H HA -0.092 4.465 4.556 0.002 0.000 0.291 504 H C 2.672 177.616 175.328 -0.639 0.000 1.094 504 H CA 2.163 57.914 56.048 -0.494 0.000 1.227 504 H CB -0.626 28.665 29.762 -0.786 0.000 1.351 504 H HN 0.586 nan 8.280 nan 0.000 0.483 505 A N 0.943 123.224 122.820 -0.897 0.000 1.897 505 A HA 0.059 4.380 4.320 0.002 0.000 0.215 505 A C 2.650 179.968 177.584 -0.443 0.000 1.181 505 A CA 1.339 52.931 52.037 -0.742 0.000 0.620 505 A CB -0.662 17.735 19.000 -1.006 0.000 0.821 505 A HN 0.450 nan 8.150 nan 0.000 0.443 506 A N -1.197 121.421 122.820 -0.337 0.000 2.015 506 A HA -0.046 4.275 4.320 0.002 0.000 0.219 506 A C 2.095 179.828 177.584 0.248 0.000 1.163 506 A CA 2.047 54.036 52.037 -0.081 0.000 0.646 506 A CB -0.401 18.621 19.000 0.037 0.000 0.806 506 A HN 0.516 nan 8.150 nan 0.000 0.448 507 M N -0.231 119.487 119.600 0.197 0.000 2.288 507 M HA 0.040 4.521 4.480 0.002 0.000 0.266 507 M C 1.706 178.110 176.300 0.173 0.000 1.072 507 M CA 1.767 57.287 55.300 0.365 0.000 1.132 507 M CB -0.454 32.286 32.600 0.234 0.000 1.386 507 M HN 0.540 nan 8.290 nan 0.000 0.432 508 E N -0.107 120.085 120.200 -0.014 0.000 2.097 508 E HA -0.205 4.146 4.350 0.002 0.000 0.196 508 E C -0.988 175.559 176.600 -0.088 0.000 1.000 508 E CA 1.647 58.012 56.400 -0.057 0.000 0.804 508 E CB -0.886 28.784 29.700 -0.051 0.000 0.740 508 E HN 0.350 nan 8.360 nan 0.000 0.454 509 P HA -0.142 nan 4.420 nan 0.000 0.216 509 P C 0.601 177.787 177.300 -0.190 0.000 1.150 509 P CA 1.248 64.202 63.100 -0.243 0.000 0.837 509 P CB -0.079 31.214 31.700 -0.679 0.000 0.786 510 F N -1.359 118.650 119.950 0.098 0.000 2.259 510 F HA -0.109 4.420 4.527 0.003 0.000 0.298 510 F C 2.264 178.049 175.800 -0.025 0.000 1.088 510 F CA 0.813 58.904 58.000 0.152 0.000 1.358 510 F CB -1.682 37.513 39.000 0.325 0.000 1.040 510 F HN -0.260 nan 8.300 nan 0.000 0.505 511 V N 0.447 120.239 119.914 -0.204 0.000 2.295 511 V HA -0.284 3.837 4.120 0.002 0.000 0.246 511 V C 2.318 178.432 176.094 0.033 0.000 1.049 511 V CA 1.767 63.770 62.300 -0.495 0.000 1.024 511 V CB -0.641 30.971 31.823 -0.351 0.000 0.648 511 V HN 0.277 nan 8.190 nan 0.000 0.447 512 I N 0.591 121.197 120.570 0.060 0.000 2.202 512 I HA -0.211 3.960 4.170 0.002 0.000 0.242 512 I C 2.700 178.893 176.117 0.126 0.000 1.091 512 I CA 1.509 62.847 61.300 0.064 0.000 1.368 512 I CB -0.643 37.208 38.000 -0.249 0.000 1.058 512 I HN 0.267 nan 8.210 nan 0.000 0.410 513 A N 0.373 123.348 122.820 0.258 0.000 1.940 513 A HA -0.212 4.109 4.320 0.002 0.000 0.219 513 A C 2.383 180.352 177.584 0.641 0.000 1.176 513 A CA 2.485 54.792 52.037 0.451 0.000 0.631 513 A CB -1.125 18.052 19.000 0.295 0.000 0.814 513 A HN 0.406 nan 8.150 nan 0.000 0.446 514 T N -0.738 114.177 114.554 0.601 0.000 2.674 514 T HA -0.149 4.202 4.350 0.002 0.000 0.265 514 T C 1.815 176.579 174.700 0.106 0.000 1.039 514 T CA 1.538 63.860 62.100 0.370 0.000 1.150 514 T CB -0.506 68.534 68.868 0.286 0.000 0.864 514 T HN 0.629 nan 8.240 nan 0.000 0.427 515 H N 0.949 120.025 119.070 0.009 0.000 2.423 515 H HA 0.099 4.657 4.556 0.002 0.000 0.297 515 H C 2.520 177.761 175.328 -0.145 0.000 1.075 515 H CA 0.974 56.891 56.048 -0.219 0.000 1.342 515 H CB 0.028 29.113 29.762 -1.128 0.000 1.395 515 H HN 0.303 nan 8.280 nan 0.000 0.530 516 R N -0.495 120.033 120.500 0.046 0.000 2.148 516 R HA -0.048 4.293 4.340 0.002 0.000 0.223 516 R C 1.215 177.372 176.300 -0.238 0.000 1.088 516 R CA 0.837 56.897 56.100 -0.066 0.000 0.985 516 R CB 0.243 30.521 30.300 -0.038 0.000 0.880 516 R HN 0.440 nan 8.270 nan 0.000 0.451 517 H N -1.487 117.702 119.070 0.198 0.000 3.400 517 H HA 0.255 4.812 4.556 0.002 0.000 0.251 517 H C -0.090 175.296 175.328 0.097 0.000 1.040 517 H CA 0.034 56.208 56.048 0.210 0.000 1.175 517 H CB 0.930 30.899 29.762 0.346 0.000 1.487 517 H HN -0.042 nan 8.280 nan 0.000 0.505 518 L N 1.917 123.200 121.223 0.100 0.000 2.280 518 L HA 0.264 4.605 4.340 0.002 0.000 0.287 518 L C 0.713 177.546 176.870 -0.062 0.000 1.023 518 L CA -0.478 54.302 54.840 -0.100 0.000 0.819 518 L CB 1.902 43.780 42.059 -0.301 0.000 1.212 518 L HN -0.032 nan 8.230 nan 0.000 0.420 519 S N 1.373 117.015 115.700 -0.097 0.000 2.566 519 S HA 0.016 4.488 4.470 0.002 0.000 0.280 519 S C 1.491 175.740 174.600 -0.585 0.000 1.343 519 S CA -0.394 57.653 58.200 -0.254 0.000 1.036 519 S CB 1.147 64.220 63.200 -0.212 0.000 0.866 519 S HN 0.477 nan 8.310 nan 0.000 0.526 520 V N 4.088 123.510 119.914 -0.820 0.000 2.546 520 V HA -0.159 3.962 4.120 0.002 0.000 0.254 520 V C 1.878 177.664 176.094 -0.512 0.000 1.076 520 V CA 1.896 63.554 62.300 -1.070 0.000 1.087 520 V CB -1.153 30.383 31.823 -0.480 0.000 0.674 520 V HN 0.813 nan 8.190 nan 0.000 0.470 521 L N -0.631 120.352 121.223 -0.400 0.000 2.465 521 L HA 0.077 4.418 4.340 0.002 0.000 0.224 521 L C 1.610 178.388 176.870 -0.153 0.000 1.145 521 L CA 0.499 55.192 54.840 -0.245 0.000 0.834 521 L CB -0.668 41.248 42.059 -0.239 0.000 0.944 521 L HN 0.447 nan 8.230 nan 0.000 0.451 522 H N 1.836 120.785 119.070 -0.201 0.000 2.683 522 H HA 0.072 4.630 4.556 0.002 0.000 0.339 522 H C -1.579 173.675 175.328 -0.123 0.000 1.081 522 H CA -1.708 54.260 56.048 -0.134 0.000 1.432 522 H CB 1.782 31.493 29.762 -0.086 0.000 1.462 522 H HN -0.132 nan 8.280 nan 0.000 0.557 523 P HA -0.173 nan 4.420 nan 0.000 0.216 523 P C 1.552 178.959 177.300 0.179 0.000 1.150 523 P CA 0.939 63.842 63.100 -0.328 0.000 0.837 523 P CB 0.544 31.630 31.700 -1.024 0.000 0.786 524 I N -1.874 118.920 120.570 0.374 0.000 2.500 524 I HA -0.161 4.011 4.170 0.002 0.000 0.252 524 I C 2.584 178.670 176.117 -0.051 0.000 1.142 524 I CA 0.679 62.052 61.300 0.120 0.000 1.451 524 I CB -1.726 36.245 38.000 -0.048 0.000 1.093 524 I HN -0.094 nan 8.210 nan 0.000 0.430 525 Y N 2.675 122.909 120.300 -0.109 0.000 2.097 525 Y HA -0.279 4.273 4.550 0.002 0.000 0.282 525 Y C 2.542 178.371 175.900 -0.118 0.000 1.152 525 Y CA 1.998 59.998 58.100 -0.165 0.000 1.136 525 Y CB -0.168 38.219 38.460 -0.121 0.000 0.975 525 Y HN 0.051 nan 8.280 nan 0.000 0.498 526 K N -0.536 120.010 120.400 0.244 0.000 2.148 526 K HA -0.161 4.160 4.320 0.002 0.000 0.204 526 K C 1.934 178.470 176.600 -0.107 0.000 1.050 526 K CA 1.325 57.719 56.287 0.179 0.000 0.942 526 K CB -0.386 32.351 32.500 0.394 0.000 0.724 526 K HN 0.296 nan 8.250 nan 0.000 0.446 527 L N 1.088 122.203 121.223 -0.181 0.000 2.056 527 L HA -0.120 4.222 4.340 0.002 0.000 0.207 527 L C 1.774 178.492 176.870 -0.252 0.000 1.078 527 L CA 1.637 56.237 54.840 -0.400 0.000 0.749 527 L CB -0.121 41.617 42.059 -0.534 0.000 0.901 527 L HN 0.109 nan 8.230 nan 0.000 0.433 528 L N -1.500 119.540 121.223 -0.306 0.000 2.298 528 L HA -0.031 4.310 4.340 0.002 0.000 0.209 528 L C 2.406 178.801 176.870 -0.792 0.000 1.084 528 L CA 1.053 55.652 54.840 -0.401 0.000 0.816 528 L CB -0.894 40.946 42.059 -0.365 0.000 0.967 528 L HN 0.391 nan 8.230 nan 0.000 0.460 529 T N -2.365 111.725 114.554 -0.773 0.000 2.833 529 T HA -0.071 4.280 4.350 0.002 0.000 0.269 529 T C -0.595 173.811 174.700 -0.491 0.000 1.054 529 T CA 0.607 62.251 62.100 -0.759 0.000 1.135 529 T CB -1.572 66.858 68.868 -0.730 0.000 0.869 529 T HN 0.135 nan 8.240 nan 0.000 0.466 530 P HA -0.069 nan 4.420 nan 0.000 0.222 530 P C 1.085 178.092 177.300 -0.488 0.000 1.147 530 P CA 0.979 63.796 63.100 -0.472 0.000 0.790 530 P CB -0.214 31.098 31.700 -0.647 0.000 0.780 531 H N -2.931 115.978 119.070 -0.268 0.000 2.543 531 H HA 0.102 4.659 4.556 0.002 0.000 0.269 531 H C 0.498 175.866 175.328 0.066 0.000 1.005 531 H CA 0.690 56.666 56.048 -0.119 0.000 1.146 531 H CB 0.038 29.726 29.762 -0.124 0.000 1.353 531 H HN 0.263 nan 8.280 nan 0.000 0.595 532 Y N 0.108 120.451 120.300 0.072 0.000 2.467 532 Y HA 0.174 4.725 4.550 0.002 0.000 0.250 532 Y C 1.360 177.301 175.900 0.069 0.000 1.155 532 Y CA -0.832 57.326 58.100 0.096 0.000 1.249 532 Y CB 0.075 38.613 38.460 0.130 0.000 1.146 532 Y HN -0.056 nan 8.280 nan 0.000 0.524 533 R N 2.179 122.776 120.500 0.161 0.000 2.480 533 R HA -0.098 4.244 4.340 0.002 0.000 0.303 533 R C 0.534 176.901 176.300 0.113 0.000 0.985 533 R CA 0.816 56.985 56.100 0.116 0.000 1.051 533 R CB -0.118 30.208 30.300 0.042 0.000 0.935 533 R HN 0.353 nan 8.270 nan 0.000 0.410 534 N N 1.584 120.356 118.700 0.120 0.000 2.936 534 N HA -0.295 4.447 4.740 0.002 0.000 0.236 534 N C 0.405 175.976 175.510 0.101 0.000 0.930 534 N CA 1.708 54.825 53.050 0.112 0.000 0.966 534 N CB -1.424 37.139 38.487 0.127 0.000 1.090 534 N HN 0.860 nan 8.380 nan 0.000 0.592 535 N N -0.587 118.170 118.700 0.095 0.000 2.080 535 N HA -0.034 4.708 4.740 0.002 0.000 0.189 535 N C 1.691 177.247 175.510 0.077 0.000 1.036 535 N CA 1.351 54.437 53.050 0.060 0.000 0.846 535 N CB -0.095 38.425 38.487 0.055 0.000 1.015 535 N HN 0.333 nan 8.380 nan 0.000 0.423 536 M N 0.410 120.049 119.600 0.064 0.000 2.159 536 M HA -0.153 4.329 4.480 0.002 0.000 0.263 536 M C 1.848 178.172 176.300 0.040 0.000 1.063 536 M CA 1.160 56.480 55.300 0.035 0.000 1.110 536 M CB -0.348 32.246 32.600 -0.011 0.000 1.374 536 M HN 0.250 nan 8.290 nan 0.000 0.411 537 N N 1.111 119.838 118.700 0.046 0.000 2.080 537 N HA -0.139 4.603 4.740 0.002 0.000 0.189 537 N C 1.445 177.005 175.510 0.082 0.000 1.036 537 N CA 1.206 54.282 53.050 0.045 0.000 0.846 537 N CB -0.195 38.327 38.487 0.058 0.000 1.015 537 N HN 0.189 nan 8.380 nan 0.000 0.423 538 I N 1.106 121.751 120.570 0.124 0.000 2.286 538 I HA -0.197 3.974 4.170 0.002 0.000 0.248 538 I C 1.374 177.609 176.117 0.196 0.000 1.115 538 I CA 1.342 62.740 61.300 0.163 0.000 1.392 538 I CB -0.701 37.435 38.000 0.226 0.000 1.065 538 I HN 0.151 nan 8.210 nan 0.000 0.418 539 N N 1.155 120.002 118.700 0.245 0.000 2.120 539 N HA -0.114 4.627 4.740 0.002 0.000 0.188 539 N C 1.911 177.558 175.510 0.228 0.000 1.024 539 N CA 1.710 54.963 53.050 0.339 0.000 0.852 539 N CB -0.673 37.990 38.487 0.293 0.000 1.003 539 N HN 0.523 nan 8.380 nan 0.000 0.424 540 A N 0.819 123.720 122.820 0.134 0.000 1.877 540 A HA -0.050 4.272 4.320 0.002 0.000 0.216 540 A C 2.278 179.850 177.584 -0.020 0.000 1.186 540 A CA 0.995 53.105 52.037 0.121 0.000 0.620 540 A CB -0.809 18.256 19.000 0.108 0.000 0.822 540 A HN 0.238 nan 8.150 nan 0.000 0.443 541 L N -0.778 120.423 121.223 -0.037 0.000 2.131 541 L HA -0.180 4.161 4.340 0.002 0.000 0.210 541 L C 3.024 179.791 176.870 -0.172 0.000 1.092 541 L CA 0.908 55.669 54.840 -0.132 0.000 0.759 541 L CB -0.479 41.549 42.059 -0.052 0.000 0.903 541 L HN 0.447 nan 8.230 nan 0.000 0.435 542 A N 0.202 122.972 122.820 -0.082 0.000 1.873 542 A HA -0.164 4.157 4.320 0.002 0.000 0.215 542 A C 2.385 179.832 177.584 -0.229 0.000 1.186 542 A CA 1.171 53.115 52.037 -0.154 0.000 0.616 542 A CB -0.398 18.538 19.000 -0.106 0.000 0.823 542 A HN 0.304 nan 8.150 nan 0.000 0.442 543 R N -0.639 119.789 120.500 -0.121 0.000 2.127 543 R HA -0.188 4.153 4.340 0.002 0.000 0.238 543 R C 2.429 178.563 176.300 -0.277 0.000 1.134 543 R CA 1.608 57.663 56.100 -0.075 0.000 0.975 543 R CB -0.297 30.111 30.300 0.181 0.000 0.865 543 R HN 0.801 nan 8.270 nan 0.000 0.447 544 Q N -0.212 119.178 119.800 -0.684 0.000 2.137 544 Q HA -0.022 4.319 4.340 0.002 0.000 0.198 544 Q C 0.968 176.712 176.000 -0.427 0.000 0.960 544 Q CA 1.351 56.569 55.803 -0.976 0.000 0.847 544 Q CB 0.414 28.291 28.738 -1.435 0.000 0.915 544 Q HN 0.144 nan 8.270 nan 0.000 0.448 545 S N -1.038 114.473 115.700 -0.315 0.000 2.628 545 S HA 0.260 4.731 4.470 0.002 0.000 0.246 545 S C 1.300 175.800 174.600 -0.167 0.000 1.062 545 S CA -0.379 57.701 58.200 -0.201 0.000 1.028 545 S CB 0.614 63.715 63.200 -0.164 0.000 0.985 545 S HN 0.248 nan 8.310 nan 0.000 0.551 546 L N 0.979 122.078 121.223 -0.207 0.000 2.362 546 L HA 0.409 4.750 4.340 0.002 0.000 0.204 546 L C 1.519 178.232 176.870 -0.262 0.000 1.060 546 L CA 0.771 55.488 54.840 -0.206 0.000 0.827 546 L CB -0.085 41.835 42.059 -0.233 0.000 1.027 546 L HN 0.300 nan 8.230 nan 0.000 0.474 547 I N -2.058 118.305 120.570 -0.345 0.000 3.974 547 I HA 0.180 4.351 4.170 0.002 0.000 0.334 547 I C 0.334 176.298 176.117 -0.256 0.000 1.437 547 I CA -0.631 60.437 61.300 -0.387 0.000 1.113 547 I CB -0.228 37.368 38.000 -0.673 0.000 1.063 547 I HN 0.148 nan 8.210 nan 0.000 0.400 548 N N 2.476 121.062 118.700 -0.191 0.000 2.424 548 N HA 0.233 4.974 4.740 0.002 0.000 0.257 548 N C 0.132 175.571 175.510 -0.118 0.000 1.250 548 N CA -0.164 52.810 53.050 -0.127 0.000 0.946 548 N CB 1.076 39.499 38.487 -0.108 0.000 1.175 548 N HN 0.178 nan 8.380 nan 0.000 0.477 549 A N 1.050 123.813 122.820 -0.096 0.000 2.545 549 A HA 0.042 4.363 4.320 0.002 0.000 0.253 549 A C 0.720 178.254 177.584 -0.084 0.000 1.074 549 A CA 0.143 52.123 52.037 -0.095 0.000 0.760 549 A CB -1.149 17.802 19.000 -0.082 0.000 1.005 549 A HN 0.903 nan 8.150 nan 0.000 0.506 550 N N -0.016 118.632 118.700 -0.087 0.000 2.800 550 N HA -0.155 4.586 4.740 0.002 0.000 0.250 550 N C 0.583 176.052 175.510 -0.068 0.000 1.078 550 N CA 1.630 54.637 53.050 -0.072 0.000 0.804 550 N CB -1.343 37.107 38.487 -0.062 0.000 1.135 550 N HN 1.182 nan 8.380 nan 0.000 0.565 551 G N -0.524 108.227 108.800 -0.081 0.000 2.516 551 G HA2 0.373 4.335 3.960 0.002 0.000 0.276 551 G HA3 0.373 4.335 3.960 0.002 0.000 0.276 551 G C 1.427 176.292 174.900 -0.058 0.000 1.390 551 G CA -0.069 44.982 45.100 -0.082 0.000 1.050 551 G HN 0.093 nan 8.290 nan 0.000 0.519 552 I N 0.875 121.415 120.570 -0.050 0.000 2.208 552 I HA -0.135 4.037 4.170 0.002 0.000 0.245 552 I C 2.961 179.096 176.117 0.031 0.000 1.097 552 I CA 1.813 63.109 61.300 -0.007 0.000 1.363 552 I CB -1.659 36.347 38.000 0.010 0.000 1.051 552 I HN 0.564 nan 8.210 nan 0.000 0.413 553 G N 0.555 109.365 108.800 0.016 0.000 2.421 553 G HA2 -0.224 3.738 3.960 0.002 0.000 0.216 553 G HA3 -0.224 3.738 3.960 0.002 0.000 0.216 553 G C 1.561 176.536 174.900 0.126 0.000 1.171 553 G CA 0.420 45.585 45.100 0.109 0.000 0.775 553 G HN 0.444 nan 8.290 nan 0.000 0.543 554 E N 0.035 120.236 120.200 0.002 0.000 2.204 554 E HA -0.102 4.249 4.350 0.002 0.000 0.194 554 E C 2.693 179.291 176.600 -0.003 0.000 0.989 554 E CA 1.408 57.801 56.400 -0.013 0.000 0.824 554 E CB -0.115 29.541 29.700 -0.072 0.000 0.756 554 E HN 0.617 nan 8.360 nan 0.000 0.477 555 T N -2.216 112.331 114.554 -0.013 0.000 3.100 555 T HA -0.002 4.349 4.350 0.002 0.000 0.253 555 T C 1.832 176.498 174.700 -0.057 0.000 1.118 555 T CA 0.997 63.075 62.100 -0.038 0.000 1.058 555 T CB 0.123 68.963 68.868 -0.047 0.000 0.953 555 T HN 0.142 nan 8.240 nan 0.000 0.515 556 T N -1.910 112.617 114.554 -0.045 0.000 2.969 556 T HA 0.406 4.757 4.350 0.002 0.000 0.250 556 T C 0.080 174.577 174.700 -0.338 0.000 1.021 556 T CA -0.535 61.450 62.100 -0.193 0.000 1.003 556 T CB -0.264 68.462 68.868 -0.237 0.000 1.040 556 T HN 0.254 nan 8.240 nan 0.000 0.492 557 F N 1.154 121.088 119.950 -0.026 0.000 2.425 557 F HA 0.547 5.075 4.527 0.002 0.000 0.331 557 F C 1.267 177.070 175.800 0.006 0.000 1.085 557 F CA -1.676 56.321 58.000 -0.005 0.000 1.028 557 F CB 1.497 40.496 39.000 -0.002 0.000 1.177 557 F HN -0.118 nan 8.300 nan 0.000 0.487 558 L N 4.501 125.846 121.223 0.203 0.000 2.030 558 L HA -0.190 4.151 4.340 0.002 0.000 0.222 558 L C -1.115 175.855 176.870 0.167 0.000 1.082 558 L CA 2.413 57.346 54.840 0.155 0.000 0.785 558 L CB -1.313 40.855 42.059 0.183 0.000 0.895 558 L HN 0.455 nan 8.230 nan 0.000 0.439 559 P HA -0.004 nan 4.420 nan 0.000 0.241 559 P C 0.845 178.224 177.300 0.132 0.000 1.191 559 P CA 0.932 64.145 63.100 0.187 0.000 0.771 559 P CB 0.223 31.991 31.700 0.113 0.000 0.929 560 S N 0.967 116.707 115.700 0.067 0.000 3.949 560 S HA -0.314 4.158 4.470 0.002 0.000 0.626 560 S C 1.612 176.146 174.600 -0.111 0.000 2.168 560 S CA 2.212 60.400 58.200 -0.020 0.000 4.124 560 S CB -1.656 61.525 63.200 -0.032 0.000 0.220 560 S HN 0.369 nan 8.310 nan 0.000 0.750 561 K N 0.522 120.770 120.400 -0.254 0.000 2.442 561 K HA -0.086 4.236 4.320 0.002 0.000 0.198 561 K C 1.492 177.876 176.600 -0.359 0.000 1.044 561 K CA 2.177 58.254 56.287 -0.349 0.000 0.948 561 K CB -0.452 31.780 32.500 -0.447 0.000 0.762 561 K HN 0.643 nan 8.250 nan 0.000 0.472 562 Y N 1.425 121.717 120.300 -0.013 0.000 2.466 562 Y HA 0.181 4.733 4.550 0.002 0.000 0.272 562 Y C 2.165 177.984 175.900 -0.136 0.000 1.169 562 Y CA -0.229 57.865 58.100 -0.010 0.000 1.285 562 Y CB 0.232 38.749 38.460 0.094 0.000 1.078 562 Y HN 0.064 nan 8.280 nan 0.000 0.523 563 S N 0.023 115.699 115.700 -0.039 0.000 2.354 563 S HA -0.184 4.288 4.470 0.002 0.000 0.219 563 S C 2.193 176.684 174.600 -0.182 0.000 1.035 563 S CA 1.929 60.056 58.200 -0.122 0.000 1.037 563 S CB -0.748 62.378 63.200 -0.124 0.000 0.956 563 S HN 0.266 nan 8.310 nan 0.000 0.428 564 V N 2.888 122.677 119.914 -0.208 0.000 2.515 564 V HA -0.185 3.937 4.120 0.002 0.000 0.250 564 V C 2.534 178.491 176.094 -0.228 0.000 1.058 564 V CA 1.971 64.114 62.300 -0.262 0.000 1.064 564 V CB -1.092 30.519 31.823 -0.352 0.000 0.675 564 V HN 0.702 nan 8.190 nan 0.000 0.461 565 E N 0.414 120.520 120.200 -0.157 0.000 2.150 565 E HA -0.232 4.120 4.350 0.002 0.000 0.193 565 E C 2.142 178.766 176.600 0.039 0.000 0.985 565 E CA 1.431 57.816 56.400 -0.024 0.000 0.814 565 E CB -0.416 29.351 29.700 0.112 0.000 0.752 565 E HN 0.519 nan 8.360 nan 0.000 0.466 566 M N 1.733 121.223 119.600 -0.184 0.000 2.149 566 M HA -0.159 4.323 4.480 0.002 0.000 0.261 566 M C 2.608 178.845 176.300 -0.106 0.000 1.064 566 M CA 1.975 57.049 55.300 -0.376 0.000 1.102 566 M CB -0.384 31.810 32.600 -0.677 0.000 1.369 566 M HN 0.318 nan 8.290 nan 0.000 0.408 567 S N -0.908 114.767 115.700 -0.042 0.000 2.402 567 S HA -0.124 4.347 4.470 0.002 0.000 0.229 567 S C 1.943 176.734 174.600 0.319 0.000 1.021 567 S CA 1.519 59.787 58.200 0.113 0.000 0.974 567 S CB -0.498 62.817 63.200 0.191 0.000 0.800 567 S HN 0.464 nan 8.310 nan 0.000 0.484 568 S N 1.918 117.802 115.700 0.306 0.000 2.368 568 S HA 0.071 4.542 4.470 0.002 0.000 0.224 568 S C 2.157 176.992 174.600 0.391 0.000 1.029 568 S CA 1.095 59.566 58.200 0.451 0.000 0.988 568 S CB -0.933 62.479 63.200 0.354 0.000 0.838 568 S HN 0.787 nan 8.310 nan 0.000 0.462 569 A N 0.787 123.783 122.820 0.294 0.000 1.908 569 A HA -0.035 4.287 4.320 0.002 0.000 0.218 569 A C 2.313 180.038 177.584 0.235 0.000 1.181 569 A CA 1.924 54.113 52.037 0.252 0.000 0.627 569 A CB -0.999 18.166 19.000 0.275 0.000 0.818 569 A HN 0.476 nan 8.150 nan 0.000 0.445 570 V N -1.707 118.342 119.914 0.225 0.000 2.548 570 V HA -0.207 3.915 4.120 0.002 0.000 0.249 570 V C 2.294 178.567 176.094 0.297 0.000 1.055 570 V CA 1.714 64.152 62.300 0.230 0.000 1.065 570 V CB -0.945 30.977 31.823 0.165 0.000 0.681 570 V HN 0.722 nan 8.190 nan 0.000 0.462 571 Y N 1.400 121.816 120.300 0.194 0.000 2.403 571 Y HA -0.205 4.347 4.550 0.002 0.000 0.291 571 Y C 2.320 178.388 175.900 0.280 0.000 1.143 571 Y CA 1.409 59.634 58.100 0.209 0.000 1.257 571 Y CB -0.269 38.249 38.460 0.097 0.000 0.984 571 Y HN 0.194 nan 8.280 nan 0.000 0.550 572 K N -0.095 120.439 120.400 0.224 0.000 2.160 572 K HA -0.196 4.125 4.320 0.002 0.000 0.206 572 K C 0.926 177.583 176.600 0.095 0.000 1.047 572 K CA 1.527 57.891 56.287 0.129 0.000 0.930 572 K CB -0.135 32.455 32.500 0.151 0.000 0.720 572 K HN 0.355 nan 8.250 nan 0.000 0.450 573 N N -0.747 118.027 118.700 0.124 0.000 2.235 573 N HA -0.021 4.720 4.740 0.002 0.000 0.209 573 N C -0.615 174.924 175.510 0.049 0.000 1.122 573 N CA -0.044 53.060 53.050 0.090 0.000 0.845 573 N CB 0.158 38.705 38.487 0.099 0.000 1.004 573 N HN 0.195 nan 8.380 nan 0.000 0.499 574 W N 1.715 122.928 121.300 -0.145 0.000 2.253 574 W HA 0.300 4.961 4.660 0.003 0.000 0.322 574 W C -0.598 175.680 176.519 -0.401 0.000 1.342 574 W CA -0.058 57.173 57.345 -0.190 0.000 1.218 574 W CB 0.638 30.036 29.460 -0.102 0.000 1.205 574 W HN -0.340 nan 8.180 nan 0.000 0.551 575 V N 9.722 128.879 119.914 -1.261 0.000 2.482 575 V HA 0.072 4.193 4.120 0.002 0.000 0.295 575 V C 0.460 175.337 176.094 -2.028 0.000 1.026 575 V CA -0.832 60.283 62.300 -1.974 0.000 0.856 575 V CB 0.866 31.764 31.823 -1.541 0.000 1.001 575 V HN 0.718 nan 8.190 nan 0.000 0.424 576 F N 4.391 122.939 119.950 -2.336 0.000 2.095 576 F HA -0.211 4.318 4.527 0.003 0.000 0.298 576 F C 2.448 177.812 175.800 -0.726 0.000 1.104 576 F CA 2.762 59.946 58.000 -1.361 0.000 1.232 576 F CB -0.084 38.538 39.000 -0.630 0.000 0.987 576 F HN 0.618 nan 8.300 nan 0.000 0.475 577 T N -2.944 111.196 114.554 -0.689 0.000 3.035 577 T HA -0.106 4.246 4.350 0.002 0.000 0.268 577 T C 1.332 175.728 174.700 -0.507 0.000 1.109 577 T CA 1.129 62.942 62.100 -0.477 0.000 1.119 577 T CB -0.514 68.243 68.868 -0.184 0.000 0.900 577 T HN 0.201 nan 8.240 nan 0.000 0.503 578 D N 1.222 121.240 120.400 -0.637 0.000 2.363 578 D HA 0.013 4.655 4.640 0.002 0.000 0.226 578 D C 1.993 178.045 176.300 -0.412 0.000 1.020 578 D CA 0.317 54.024 54.000 -0.489 0.000 0.892 578 D CB -0.022 40.490 40.800 -0.479 0.000 0.900 578 D HN 0.399 nan 8.370 nan 0.000 0.531 579 Q N 0.301 119.825 119.800 -0.461 0.000 2.389 579 Q HA 0.123 4.464 4.340 0.002 0.000 0.204 579 Q C 0.754 176.660 176.000 -0.158 0.000 0.944 579 Q CA 0.081 55.754 55.803 -0.217 0.000 0.908 579 Q CB -0.174 28.466 28.738 -0.164 0.000 1.002 579 Q HN 0.147 nan 8.270 nan 0.000 0.493 580 A N 1.473 124.091 122.820 -0.337 0.000 2.546 580 A HA 0.050 4.371 4.320 0.002 0.000 0.243 580 A C 1.235 178.247 177.584 -0.953 0.000 1.063 580 A CA -0.196 51.495 52.037 -0.576 0.000 0.757 580 A CB 0.137 18.912 19.000 -0.375 0.000 0.991 580 A HN 0.266 nan 8.150 nan 0.000 0.503 581 L N 4.420 124.565 121.223 -1.798 0.000 1.989 581 L HA -0.046 4.296 4.340 0.002 0.000 0.211 581 L C -0.761 175.526 176.870 -0.971 0.000 1.071 581 L CA 2.566 56.601 54.840 -1.340 0.000 0.749 581 L CB -1.316 39.688 42.059 -1.758 0.000 0.890 581 L HN 0.528 nan 8.230 nan 0.000 0.431 582 P HA -0.145 nan 4.420 nan 0.000 0.215 582 P C 1.553 178.602 177.300 -0.419 0.000 1.153 582 P CA 2.054 64.783 63.100 -0.619 0.000 0.853 582 P CB -0.230 31.163 31.700 -0.512 0.000 0.788 583 A N -0.161 122.403 122.820 -0.427 0.000 1.933 583 A HA -0.248 4.073 4.320 0.002 0.000 0.218 583 A C 2.189 179.620 177.584 -0.255 0.000 1.175 583 A CA 2.196 54.056 52.037 -0.295 0.000 0.628 583 A CB -1.647 17.175 19.000 -0.296 0.000 0.814 583 A HN 0.193 nan 8.150 nan 0.000 0.444 584 D N 0.005 120.235 120.400 -0.284 0.000 2.084 584 D HA -0.149 4.492 4.640 0.002 0.000 0.194 584 D C 1.812 178.037 176.300 -0.125 0.000 0.990 584 D CA 1.554 55.448 54.000 -0.176 0.000 0.826 584 D CB -0.266 40.457 40.800 -0.129 0.000 0.971 584 D HN 0.412 nan 8.370 nan 0.000 0.453 585 L N -0.042 121.078 121.223 -0.171 0.000 2.046 585 L HA -0.121 4.221 4.340 0.002 0.000 0.208 585 L C 2.662 179.493 176.870 -0.065 0.000 1.077 585 L CA 0.782 55.559 54.840 -0.105 0.000 0.747 585 L CB -0.411 41.537 42.059 -0.186 0.000 0.896 585 L HN 0.178 nan 8.230 nan 0.000 0.432 586 I N -0.228 120.278 120.570 -0.107 0.000 2.252 586 I HA -0.272 3.899 4.170 0.002 0.000 0.245 586 I C 2.713 178.794 176.117 -0.060 0.000 1.102 586 I CA 1.172 62.426 61.300 -0.076 0.000 1.385 586 I CB -0.228 37.713 38.000 -0.098 0.000 1.064 586 I HN 0.221 nan 8.210 nan 0.000 0.414 587 K N 1.270 121.621 120.400 -0.082 0.000 2.097 587 K HA -0.140 4.181 4.320 0.002 0.000 0.206 587 K C 2.032 178.610 176.600 -0.037 0.000 1.049 587 K CA 1.342 57.586 56.287 -0.072 0.000 0.933 587 K CB 0.019 32.456 32.500 -0.104 0.000 0.717 587 K HN 0.215 nan 8.250 nan 0.000 0.442 588 R N -0.587 119.904 120.500 -0.015 0.000 2.313 588 R HA 0.030 4.371 4.340 0.002 0.000 0.199 588 R C 0.702 177.032 176.300 0.051 0.000 0.958 588 R CA 0.562 56.675 56.100 0.023 0.000 1.047 588 R CB 0.180 30.513 30.300 0.056 0.000 0.955 588 R HN 0.498 nan 8.270 nan 0.000 0.481 589 G N 1.221 110.041 108.800 0.034 0.000 2.198 589 G HA2 -0.271 3.690 3.960 0.002 0.000 0.260 589 G HA3 -0.271 3.690 3.960 0.002 0.000 0.260 589 G C 0.605 175.592 174.900 0.146 0.000 1.025 589 G CA 0.526 45.653 45.100 0.045 0.000 0.769 589 G HN 0.350 nan 8.290 nan 0.000 0.507 590 V N -4.544 115.478 119.914 0.180 0.000 3.578 590 V HA 0.822 4.943 4.120 0.002 0.000 0.290 590 V C 0.858 177.058 176.094 0.176 0.000 1.376 590 V CA 0.942 63.410 62.300 0.280 0.000 1.083 590 V CB 0.122 32.135 31.823 0.315 0.000 0.911 590 V HN 1.918 nan 8.190 nan 0.000 0.433 591 A N 1.010 123.881 122.820 0.085 0.000 2.609 591 A HA 0.905 5.227 4.320 0.002 0.000 0.291 591 A C -1.086 176.500 177.584 0.004 0.000 1.096 591 A CA -0.505 51.548 52.037 0.028 0.000 0.684 591 A CB 1.915 20.893 19.000 -0.037 0.000 1.282 591 A HN 0.908 nan 8.150 nan 0.000 0.412 592 I N -1.955 118.611 120.570 -0.007 0.000 2.730 592 I HA 0.609 4.781 4.170 0.002 0.000 0.298 592 I C -0.208 175.892 176.117 -0.028 0.000 1.089 592 I CA -0.937 60.353 61.300 -0.016 0.000 1.041 592 I CB 2.017 40.014 38.000 -0.005 0.000 1.235 592 I HN 0.635 nan 8.210 nan 0.000 0.423 593 K N 2.553 122.933 120.400 -0.033 0.000 2.472 593 K HA 0.035 4.356 4.320 0.002 0.000 0.280 593 K C -1.066 175.521 176.600 -0.021 0.000 1.028 593 K CA 0.599 56.866 56.287 -0.033 0.000 1.045 593 K CB 0.274 32.755 32.500 -0.033 0.000 0.902 593 K HN 0.755 nan 8.250 nan 0.000 0.478 594 D N 5.707 126.096 120.400 -0.018 0.000 2.319 594 D HA 0.219 4.860 4.640 0.002 0.000 0.237 594 D C -2.295 173.999 176.300 -0.011 0.000 1.353 594 D CA -1.908 52.085 54.000 -0.012 0.000 0.992 594 D CB 1.704 42.498 40.800 -0.009 0.000 1.368 594 D HN 0.206 nan 8.370 nan 0.000 0.564 595 P HA -0.040 nan 4.420 nan 0.000 0.230 595 P C 1.067 178.359 177.300 -0.012 0.000 1.158 595 P CA 0.624 63.719 63.100 -0.009 0.000 0.769 595 P CB 0.227 31.923 31.700 -0.007 0.000 0.807 596 S N -2.199 113.493 115.700 -0.013 0.000 2.603 596 S HA 0.021 4.492 4.470 0.002 0.000 0.220 596 S C 0.910 175.494 174.600 -0.025 0.000 0.967 596 S CA 0.098 58.289 58.200 -0.016 0.000 0.920 596 S CB -1.361 61.831 63.200 -0.012 0.000 0.773 596 S HN 0.227 nan 8.310 nan 0.000 0.529 597 T N -1.269 113.268 114.554 -0.028 0.000 2.895 597 T HA 0.557 4.909 4.350 0.002 0.000 0.283 597 T C -2.216 172.439 174.700 -0.074 0.000 1.014 597 T CA -1.934 60.137 62.100 -0.048 0.000 1.037 597 T CB 1.412 70.262 68.868 -0.031 0.000 1.006 597 T HN -0.172 nan 8.240 nan 0.000 0.468 598 P HA -0.120 nan 4.420 nan 0.000 0.215 598 P C 1.201 178.392 177.300 -0.181 0.000 1.153 598 P CA 1.178 64.153 63.100 -0.208 0.000 0.853 598 P CB -0.010 31.473 31.700 -0.360 0.000 0.788 599 H N -2.237 116.829 119.070 -0.006 0.000 2.548 599 H HA 0.215 4.772 4.556 0.003 0.000 0.268 599 H C 1.712 177.027 175.328 -0.021 0.000 0.975 599 H CA 1.258 57.302 56.048 -0.006 0.000 1.195 599 H CB -0.361 29.379 29.762 -0.036 0.000 1.397 599 H HN 0.190 nan 8.280 nan 0.000 0.572 600 G N 0.638 109.470 108.800 0.053 0.000 2.176 600 G HA2 -0.281 3.680 3.960 0.002 0.000 0.253 600 G HA3 -0.281 3.680 3.960 0.002 0.000 0.253 600 G C 0.362 175.260 174.900 -0.004 0.000 0.979 600 G CA 0.505 45.616 45.100 0.019 0.000 0.641 600 G HN 0.516 nan 8.290 nan 0.000 0.530 601 V N -2.943 116.971 119.914 0.001 0.000 2.925 601 V HA 0.883 5.005 4.120 0.002 0.000 0.311 601 V C -0.227 175.861 176.094 -0.010 0.000 1.104 601 V CA -1.082 61.200 62.300 -0.030 0.000 0.954 601 V CB 1.917 33.687 31.823 -0.087 0.000 1.022 601 V HN 0.590 nan 8.190 nan 0.000 0.427 602 R N 3.346 123.839 120.500 -0.012 0.000 2.338 602 R HA 0.692 5.033 4.340 0.002 0.000 0.317 602 R C -0.993 175.309 176.300 0.004 0.000 0.968 602 R CA -0.761 55.339 56.100 0.001 0.000 0.849 602 R CB 1.368 31.671 30.300 0.005 0.000 1.128 602 R HN 0.912 nan 8.270 nan 0.000 0.448 603 L N 6.141 127.369 121.223 0.008 0.000 2.380 603 L HA 0.115 4.456 4.340 0.002 0.000 0.273 603 L C 1.194 178.097 176.870 0.056 0.000 1.138 603 L CA -0.221 54.635 54.840 0.027 0.000 0.832 603 L CB 0.953 43.024 42.059 0.021 0.000 1.124 603 L HN 0.739 nan 8.230 nan 0.000 0.454 604 L N 3.933 125.216 121.223 0.100 0.000 2.418 604 L HA 0.127 4.468 4.340 0.002 0.000 0.218 604 L C 0.496 177.423 176.870 0.096 0.000 1.125 604 L CA 0.701 55.625 54.840 0.139 0.000 0.835 604 L CB 0.022 42.233 42.059 0.252 0.000 0.953 604 L HN 0.529 nan 8.230 nan 0.000 0.454 605 I N -0.018 120.557 120.570 0.009 0.000 2.405 605 I HA 0.047 4.219 4.170 0.002 0.000 0.280 605 I C 1.211 177.325 176.117 -0.005 0.000 1.027 605 I CA -0.087 61.144 61.300 -0.116 0.000 1.161 605 I CB 1.713 39.505 38.000 -0.347 0.000 1.300 605 I HN 0.042 nan 8.210 nan 0.000 0.463 606 E N 3.807 123.998 120.200 -0.014 0.000 2.058 606 E HA -0.255 4.096 4.350 0.002 0.000 0.194 606 E C 0.608 177.220 176.600 0.020 0.000 0.997 606 E CA 1.343 57.748 56.400 0.008 0.000 0.801 606 E CB 0.274 29.974 29.700 0.000 0.000 0.746 606 E HN 0.577 nan 8.360 nan 0.000 0.450 607 D N -0.128 120.275 120.400 0.005 0.000 2.767 607 D HA -0.027 4.614 4.640 0.002 0.000 0.241 607 D C -1.599 174.721 176.300 0.034 0.000 1.187 607 D CA -0.358 53.651 54.000 0.015 0.000 0.999 607 D CB -0.409 40.391 40.800 -0.000 0.000 1.042 607 D HN 0.131 nan 8.370 nan 0.000 0.510 608 Y N 2.529 122.762 120.300 -0.112 0.000 2.595 608 Y HA 0.396 4.947 4.550 0.001 0.000 0.336 608 Y C -2.016 173.795 175.900 -0.148 0.000 0.996 608 Y CA -3.016 55.001 58.100 -0.139 0.000 1.260 608 Y CB 1.381 39.761 38.460 -0.134 0.000 1.108 608 Y HN 0.120 nan 8.280 nan 0.000 0.509 609 P HA -0.202 nan 4.420 nan 0.000 0.216 609 P C 1.322 178.476 177.300 -0.242 0.000 1.153 609 P CA 1.508 64.497 63.100 -0.184 0.000 0.848 609 P CB -0.069 31.353 31.700 -0.463 0.000 0.787 610 Y N 0.934 121.030 120.300 -0.339 0.000 2.145 610 Y HA -0.188 4.363 4.550 0.003 0.000 0.286 610 Y C 2.253 178.056 175.900 -0.161 0.000 1.145 610 Y CA 1.710 59.738 58.100 -0.119 0.000 1.148 610 Y CB -1.164 37.313 38.460 0.028 0.000 0.981 610 Y HN -0.129 nan 8.280 nan 0.000 0.507 611 A N 0.709 123.041 122.820 -0.814 0.000 1.898 611 A HA -0.006 4.315 4.320 0.002 0.000 0.216 611 A C 2.444 179.701 177.584 -0.545 0.000 1.181 611 A CA 1.785 53.246 52.037 -0.961 0.000 0.620 611 A CB -1.485 16.734 19.000 -1.302 0.000 0.819 611 A HN 0.644 nan 8.150 nan 0.000 0.442 612 A N 0.107 122.731 122.820 -0.326 0.000 1.873 612 A HA -0.152 4.170 4.320 0.002 0.000 0.215 612 A C 1.757 179.268 177.584 -0.122 0.000 1.186 612 A CA 1.941 53.880 52.037 -0.163 0.000 0.616 612 A CB -0.553 18.417 19.000 -0.049 0.000 0.823 612 A HN 0.434 nan 8.150 nan 0.000 0.442 613 D N -0.423 119.942 120.400 -0.059 0.000 2.149 613 D HA -0.005 4.637 4.640 0.002 0.000 0.201 613 D C 2.096 178.400 176.300 0.007 0.000 0.972 613 D CA 1.322 55.350 54.000 0.048 0.000 0.835 613 D CB -0.713 40.220 40.800 0.223 0.000 0.966 613 D HN 0.401 nan 8.370 nan 0.000 0.476 614 G N 0.836 109.570 108.800 -0.109 0.000 2.440 614 G HA2 -0.220 3.742 3.960 0.002 0.000 0.218 614 G HA3 -0.220 3.742 3.960 0.002 0.000 0.218 614 G C 1.707 176.546 174.900 -0.101 0.000 1.154 614 G CA 0.352 45.444 45.100 -0.013 0.000 0.767 614 G HN 0.254 nan 8.290 nan 0.000 0.552 615 L N 0.335 121.351 121.223 -0.344 0.000 2.079 615 L HA -0.099 4.243 4.340 0.002 0.000 0.210 615 L C 2.954 179.588 176.870 -0.393 0.000 1.081 615 L CA 1.077 55.607 54.840 -0.517 0.000 0.752 615 L CB -0.259 41.292 42.059 -0.846 0.000 0.896 615 L HN 0.177 nan 8.230 nan 0.000 0.433 616 E N 0.044 120.123 120.200 -0.200 0.000 2.047 616 E HA -0.167 4.185 4.350 0.002 0.000 0.191 616 E C 2.302 178.975 176.600 0.122 0.000 0.987 616 E CA 1.074 57.491 56.400 0.028 0.000 0.799 616 E CB -0.135 29.608 29.700 0.071 0.000 0.752 616 E HN 0.401 nan 8.360 nan 0.000 0.449 617 I N 0.701 121.378 120.570 0.178 0.000 2.252 617 I HA -0.234 3.937 4.170 0.002 0.000 0.245 617 I C 2.416 178.743 176.117 0.350 0.000 1.102 617 I CA 0.901 62.374 61.300 0.287 0.000 1.385 617 I CB -1.229 36.992 38.000 0.369 0.000 1.064 617 I HN 0.313 nan 8.210 nan 0.000 0.414 618 W N 2.583 123.946 121.300 0.105 0.000 2.335 618 W HA -0.274 4.387 4.660 0.002 0.000 0.311 618 W C 2.498 179.006 176.519 -0.019 0.000 1.213 618 W CA 2.404 59.702 57.345 -0.079 0.000 1.274 618 W CB -0.186 28.960 29.460 -0.524 0.000 1.148 618 W HN 0.148 nan 8.180 nan 0.000 0.498 619 A N 0.977 123.871 122.820 0.123 0.000 1.933 619 A HA -0.064 4.257 4.320 0.002 0.000 0.218 619 A C 2.207 179.822 177.584 0.053 0.000 1.175 619 A CA 2.713 54.796 52.037 0.076 0.000 0.628 619 A CB -1.322 17.815 19.000 0.229 0.000 0.814 619 A HN 0.358 nan 8.150 nan 0.000 0.444 620 A N 0.072 122.979 122.820 0.146 0.000 1.877 620 A HA -0.111 4.210 4.320 0.002 0.000 0.216 620 A C 2.118 179.860 177.584 0.263 0.000 1.186 620 A CA 1.592 53.783 52.037 0.257 0.000 0.620 620 A CB -0.639 18.555 19.000 0.322 0.000 0.822 620 A HN 0.500 nan 8.150 nan 0.000 0.443 621 I N -0.593 120.084 120.570 0.179 0.000 2.226 621 I HA -0.277 3.895 4.170 0.002 0.000 0.245 621 I C 2.542 178.538 176.117 -0.201 0.000 1.100 621 I CA 1.890 63.169 61.300 -0.034 0.000 1.374 621 I CB -0.254 37.734 38.000 -0.020 0.000 1.057 621 I HN 0.381 nan 8.210 nan 0.000 0.413 622 K N 0.596 120.806 120.400 -0.316 0.000 2.032 622 K HA -0.193 4.129 4.320 0.002 0.000 0.209 622 K C 2.081 178.584 176.600 -0.162 0.000 1.048 622 K CA 2.027 58.107 56.287 -0.345 0.000 0.927 622 K CB -0.106 32.142 32.500 -0.419 0.000 0.712 622 K HN 0.217 nan 8.250 nan 0.000 0.441 623 T N 0.678 115.200 114.554 -0.054 0.000 2.746 623 T HA -0.196 4.155 4.350 0.002 0.000 0.267 623 T C 1.193 175.937 174.700 0.073 0.000 1.039 623 T CA 1.401 63.518 62.100 0.029 0.000 1.142 623 T CB -0.360 68.565 68.868 0.095 0.000 0.866 623 T HN 0.542 nan 8.240 nan 0.000 0.444 624 W N 1.622 122.806 121.300 -0.194 0.000 2.355 624 W HA -0.173 4.488 4.660 0.002 0.000 0.309 624 W C 1.691 178.126 176.519 -0.139 0.000 1.206 624 W CA 0.599 57.791 57.345 -0.255 0.000 1.284 624 W CB -0.430 28.515 29.460 -0.859 0.000 1.145 624 W HN 0.033 nan 8.180 nan 0.000 0.502 625 V N 1.761 121.405 119.914 -0.450 0.000 2.358 625 V HA -0.321 3.800 4.120 0.002 0.000 0.246 625 V C 2.440 178.381 176.094 -0.256 0.000 1.047 625 V CA 2.249 64.234 62.300 -0.525 0.000 1.035 625 V CB -1.083 30.505 31.823 -0.391 0.000 0.658 625 V HN 0.249 nan 8.190 nan 0.000 0.452 626 Q N -0.508 119.196 119.800 -0.160 0.000 2.291 626 Q HA -0.243 4.098 4.340 0.002 0.000 0.206 626 Q C 2.228 178.203 176.000 -0.042 0.000 0.976 626 Q CA 1.626 57.379 55.803 -0.082 0.000 0.875 626 Q CB -0.027 28.676 28.738 -0.058 0.000 0.927 626 Q HN 0.745 nan 8.270 nan 0.000 0.450 627 E N -0.519 119.668 120.200 -0.021 0.000 2.140 627 E HA -0.137 4.214 4.350 0.002 0.000 0.191 627 E C 1.520 178.129 176.600 0.014 0.000 0.973 627 E CA 0.155 56.576 56.400 0.035 0.000 0.829 627 E CB 0.053 29.838 29.700 0.142 0.000 0.781 627 E HN 0.341 nan 8.360 nan 0.000 0.466 628 Y N 0.634 120.795 120.300 -0.231 0.000 2.184 628 Y HA -0.179 4.372 4.550 0.002 0.000 0.290 628 Y C 2.057 177.922 175.900 -0.058 0.000 1.129 628 Y CA 1.468 59.423 58.100 -0.241 0.000 1.144 628 Y CB -0.256 37.776 38.460 -0.712 0.000 0.995 628 Y HN -0.120 nan 8.280 nan 0.000 0.513 629 V N 1.412 121.376 119.914 0.084 0.000 2.282 629 V HA -0.270 3.852 4.120 0.002 0.000 0.249 629 V C -0.623 175.533 176.094 0.103 0.000 1.057 629 V CA 2.479 64.868 62.300 0.149 0.000 1.032 629 V CB -1.788 30.084 31.823 0.081 0.000 0.645 629 V HN 0.321 nan 8.190 nan 0.000 0.447 630 P HA -0.073 nan 4.420 nan 0.000 0.228 630 P C 1.654 178.843 177.300 -0.185 0.000 1.151 630 P CA 1.067 64.139 63.100 -0.046 0.000 0.770 630 P CB -0.107 31.561 31.700 -0.053 0.000 0.786 631 L N -3.087 117.921 121.223 -0.359 0.000 2.275 631 L HA -0.116 4.226 4.340 0.002 0.000 0.215 631 L C 1.475 177.746 176.870 -0.999 0.000 1.119 631 L CA 1.424 55.831 54.840 -0.720 0.000 0.790 631 L CB -0.526 40.937 42.059 -0.994 0.000 0.919 631 L HN 0.059 nan 8.230 nan 0.000 0.443 632 Y N -3.220 116.894 120.300 -0.309 0.000 2.423 632 Y HA 0.206 4.758 4.550 0.002 0.000 0.257 632 Y C -0.250 175.235 175.900 -0.692 0.000 1.087 632 Y CA -0.837 56.959 58.100 -0.508 0.000 1.258 632 Y CB 0.474 38.560 38.460 -0.623 0.000 1.237 632 Y HN -0.111 nan 8.280 nan 0.000 0.517 633 Y N -0.729 119.558 120.300 -0.021 0.000 2.327 633 Y HA 0.602 5.154 4.550 0.002 0.000 0.325 633 Y C 0.669 176.543 175.900 -0.042 0.000 0.999 633 Y CA -0.931 57.160 58.100 -0.015 0.000 1.195 633 Y CB 1.644 40.109 38.460 0.008 0.000 1.132 633 Y HN -0.031 nan 8.280 nan 0.000 0.455 634 A N 3.818 126.681 122.820 0.071 0.000 1.943 634 A HA 0.252 4.574 4.320 0.002 0.000 0.213 634 A C 0.860 178.470 177.584 0.043 0.000 1.181 634 A CA 0.727 52.779 52.037 0.024 0.000 0.653 634 A CB 0.230 19.224 19.000 -0.010 0.000 0.833 634 A HN 0.699 nan 8.150 nan 0.000 0.451 635 R N -1.430 119.112 120.500 0.069 0.000 2.799 635 R HA 0.303 4.644 4.340 0.002 0.000 0.270 635 R C -0.729 175.608 176.300 0.061 0.000 1.010 635 R CA -0.682 55.448 56.100 0.050 0.000 0.916 635 R CB 0.657 30.978 30.300 0.035 0.000 1.228 635 R HN -0.013 nan 8.270 nan 0.000 0.469 636 D N 0.987 121.408 120.400 0.035 0.000 2.133 636 D HA -0.176 4.465 4.640 0.002 0.000 0.195 636 D C 0.927 177.250 176.300 0.039 0.000 0.997 636 D CA 1.606 55.620 54.000 0.023 0.000 0.840 636 D CB 0.043 40.851 40.800 0.014 0.000 0.947 636 D HN 0.457 nan 8.370 nan 0.000 0.452 637 D N 0.729 121.156 120.400 0.046 0.000 2.182 637 D HA -0.126 4.516 4.640 0.002 0.000 0.201 637 D C 1.446 177.795 176.300 0.080 0.000 0.986 637 D CA 0.767 54.798 54.000 0.052 0.000 0.847 637 D CB -0.194 40.632 40.800 0.043 0.000 0.942 637 D HN 0.245 nan 8.370 nan 0.000 0.467 638 D N -0.092 120.377 120.400 0.115 0.000 2.178 638 D HA -0.087 4.554 4.640 0.002 0.000 0.201 638 D C 2.239 178.712 176.300 0.289 0.000 0.980 638 D CA 0.338 54.458 54.000 0.200 0.000 0.842 638 D CB 0.032 40.980 40.800 0.247 0.000 0.948 638 D HN 0.133 nan 8.370 nan 0.000 0.472 639 V N 1.151 121.154 119.914 0.149 0.000 2.323 639 V HA -0.186 3.935 4.120 0.002 0.000 0.244 639 V C 2.483 178.606 176.094 0.047 0.000 1.041 639 V CA 1.364 63.651 62.300 -0.022 0.000 1.025 639 V CB -0.431 31.292 31.823 -0.166 0.000 0.656 639 V HN 0.147 nan 8.190 nan 0.000 0.451 640 K N 0.445 120.876 120.400 0.052 0.000 2.103 640 K HA -0.217 4.105 4.320 0.002 0.000 0.207 640 K C 1.561 178.205 176.600 0.074 0.000 1.048 640 K CA 1.897 58.219 56.287 0.059 0.000 0.930 640 K CB -0.139 32.391 32.500 0.050 0.000 0.716 640 K HN 0.417 nan 8.250 nan 0.000 0.444 641 N N 1.248 120.001 118.700 0.087 0.000 2.336 641 N HA -0.062 4.679 4.740 0.002 0.000 0.189 641 N C -0.554 175.010 175.510 0.091 0.000 1.113 641 N CA 0.302 53.399 53.050 0.078 0.000 0.858 641 N CB 0.176 38.704 38.487 0.067 0.000 0.970 641 N HN 0.236 nan 8.380 nan 0.000 0.471 642 D N 0.858 121.342 120.400 0.140 0.000 2.374 642 D HA 0.044 4.685 4.640 0.002 0.000 0.240 642 D C 1.214 177.569 176.300 0.092 0.000 1.229 642 D CA -0.056 54.048 54.000 0.173 0.000 0.895 642 D CB 0.725 41.729 40.800 0.340 0.000 1.046 642 D HN 0.110 nan 8.370 nan 0.000 0.498 643 S N 3.224 118.927 115.700 0.005 0.000 2.383 643 S HA -0.212 4.259 4.470 0.002 0.000 0.229 643 S C 1.516 175.960 174.600 -0.259 0.000 1.030 643 S CA 0.902 58.990 58.200 -0.187 0.000 1.002 643 S CB -0.179 62.901 63.200 -0.201 0.000 0.829 643 S HN 0.585 nan 8.310 nan 0.000 0.467 644 E N 0.655 120.842 120.200 -0.022 0.000 2.047 644 E HA -0.038 4.313 4.350 0.002 0.000 0.191 644 E C 2.067 178.750 176.600 0.139 0.000 0.987 644 E CA 1.096 57.541 56.400 0.076 0.000 0.799 644 E CB -0.288 29.473 29.700 0.102 0.000 0.752 644 E HN 0.363 nan 8.360 nan 0.000 0.449 645 L N 1.246 122.559 121.223 0.151 0.000 2.046 645 L HA -0.222 4.119 4.340 0.002 0.000 0.208 645 L C 2.209 179.310 176.870 0.386 0.000 1.077 645 L CA 1.667 56.658 54.840 0.252 0.000 0.747 645 L CB -0.241 41.953 42.059 0.226 0.000 0.896 645 L HN 0.063 nan 8.230 nan 0.000 0.432 646 Q N -1.038 118.898 119.800 0.227 0.000 2.079 646 Q HA -0.186 4.156 4.340 0.002 0.000 0.200 646 Q C 2.236 178.398 176.000 0.270 0.000 0.974 646 Q CA 1.931 57.871 55.803 0.229 0.000 0.840 646 Q CB -0.529 28.293 28.738 0.140 0.000 0.898 646 Q HN 0.695 nan 8.270 nan 0.000 0.430 647 H N -1.412 117.705 119.070 0.079 0.000 2.352 647 H HA -0.187 4.370 4.556 0.002 0.000 0.299 647 H C 1.839 177.029 175.328 -0.229 0.000 1.097 647 H CA 1.021 56.983 56.048 -0.144 0.000 1.311 647 H CB -0.139 29.507 29.762 -0.193 0.000 1.377 647 H HN 0.337 nan 8.280 nan 0.000 0.504 648 W N 1.304 122.608 121.300 0.008 0.000 2.333 648 W HA -0.248 4.413 4.660 0.002 0.000 0.316 648 W C 2.395 179.019 176.519 0.176 0.000 1.215 648 W CA 1.297 58.717 57.345 0.125 0.000 1.278 648 W CB -0.755 28.826 29.460 0.202 0.000 1.154 648 W HN 0.316 nan 8.180 nan 0.000 0.486 649 W N 1.867 123.070 121.300 -0.162 0.000 2.418 649 W HA -0.171 4.490 4.660 0.002 0.000 0.292 649 W C 2.294 178.597 176.519 -0.361 0.000 1.213 649 W CA 1.679 58.733 57.345 -0.486 0.000 1.283 649 W CB -0.441 28.893 29.460 -0.211 0.000 1.119 649 W HN -0.057 nan 8.180 nan 0.000 0.542 650 K N 0.852 121.145 120.400 -0.178 0.000 2.063 650 K HA -0.278 4.043 4.320 0.002 0.000 0.208 650 K C 1.995 178.341 176.600 -0.423 0.000 1.048 650 K CA 2.014 58.125 56.287 -0.293 0.000 0.928 650 K CB -0.433 31.987 32.500 -0.132 0.000 0.713 650 K HN 0.122 nan 8.250 nan 0.000 0.442 651 E N -0.509 119.472 120.200 -0.364 0.000 2.076 651 E HA -0.106 4.246 4.350 0.002 0.000 0.190 651 E C 1.819 178.134 176.600 -0.475 0.000 0.979 651 E CA 0.707 56.907 56.400 -0.333 0.000 0.807 651 E CB -0.054 29.580 29.700 -0.109 0.000 0.761 651 E HN 0.427 nan 8.360 nan 0.000 0.454 652 A N 0.490 122.981 122.820 -0.550 0.000 1.940 652 A HA -0.159 4.162 4.320 0.002 0.000 0.219 652 A C 2.302 179.364 177.584 -0.869 0.000 1.176 652 A CA 1.524 53.166 52.037 -0.659 0.000 0.631 652 A CB -0.497 18.078 19.000 -0.709 0.000 0.814 652 A HN 0.216 nan 8.150 nan 0.000 0.446 653 V N -0.441 118.794 119.914 -1.131 0.000 2.331 653 V HA -0.143 3.978 4.120 0.002 0.000 0.242 653 V C 2.272 177.861 176.094 -0.842 0.000 1.034 653 V CA 1.921 63.411 62.300 -1.351 0.000 1.027 653 V CB -0.683 30.061 31.823 -1.799 0.000 0.667 653 V HN 0.619 nan 8.190 nan 0.000 0.457 654 E N -0.288 119.515 120.200 -0.662 0.000 2.230 654 E HA -0.082 4.269 4.350 0.002 0.000 0.192 654 E C 1.922 178.283 176.600 -0.397 0.000 0.987 654 E CA 0.569 56.698 56.400 -0.451 0.000 0.841 654 E CB 0.145 29.633 29.700 -0.353 0.000 0.783 654 E HN 0.416 nan 8.360 nan 0.000 0.481 655 K N -0.274 119.817 120.400 -0.515 0.000 2.266 655 K HA 0.118 4.440 4.320 0.002 0.000 0.209 655 K C 2.147 178.282 176.600 -0.775 0.000 1.065 655 K CA 0.880 56.788 56.287 -0.632 0.000 0.946 655 K CB -0.839 31.184 32.500 -0.794 0.000 1.069 655 K HN 0.108 nan 8.250 nan 0.000 0.472 656 G N 1.605 109.862 108.800 -0.905 0.000 2.421 656 G HA2 -0.198 3.763 3.960 0.002 0.000 0.216 656 G HA3 -0.198 3.763 3.960 0.002 0.000 0.216 656 G C 0.934 175.480 174.900 -0.591 0.000 1.171 656 G CA 0.763 45.435 45.100 -0.713 0.000 0.775 656 G HN 0.311 nan 8.290 nan 0.000 0.543 657 H N 0.359 119.190 119.070 -0.399 0.000 2.490 657 H HA 0.249 4.807 4.556 0.002 0.000 0.285 657 H C 2.090 177.388 175.328 -0.050 0.000 1.127 657 H CA 0.196 56.182 56.048 -0.102 0.000 0.993 657 H CB 0.441 30.298 29.762 0.157 0.000 1.653 657 H HN 0.329 nan 8.280 nan 0.000 0.557 658 G N 0.364 109.101 108.800 -0.106 0.000 2.479 658 G HA2 -0.222 3.739 3.960 0.002 0.000 0.220 658 G HA3 -0.222 3.739 3.960 0.002 0.000 0.220 658 G C 1.192 176.103 174.900 0.019 0.000 1.115 658 G CA 0.352 45.384 45.100 -0.114 0.000 0.757 658 G HN 0.323 nan 8.290 nan 0.000 0.560 659 D N 0.180 120.662 120.400 0.138 0.000 2.312 659 D HA 0.007 4.648 4.640 0.002 0.000 0.211 659 D C 1.951 178.373 176.300 0.203 0.000 0.964 659 D CA 0.455 54.568 54.000 0.188 0.000 0.877 659 D CB 0.164 41.135 40.800 0.286 0.000 0.924 659 D HN 0.342 nan 8.370 nan 0.000 0.515 660 L N 0.687 122.070 121.223 0.267 0.000 2.910 660 L HA 0.161 4.503 4.340 0.002 0.000 0.252 660 L C 1.954 178.972 176.870 0.247 0.000 1.195 660 L CA -0.152 54.855 54.840 0.279 0.000 1.003 660 L CB 0.219 42.553 42.059 0.458 0.000 1.328 660 L HN -0.050 nan 8.230 nan 0.000 0.540 661 K N 0.002 120.441 120.400 0.064 0.000 2.280 661 K HA -0.167 4.154 4.320 0.002 0.000 0.202 661 K C 0.963 177.504 176.600 -0.098 0.000 1.047 661 K CA 1.595 57.804 56.287 -0.131 0.000 0.942 661 K CB -0.114 32.256 32.500 -0.217 0.000 0.739 661 K HN 0.318 nan 8.250 nan 0.000 0.457 662 D N 0.603 120.977 120.400 -0.043 0.000 2.339 662 D HA -0.011 4.631 4.640 0.002 0.000 0.217 662 D C -0.108 176.129 176.300 -0.105 0.000 1.050 662 D CA -0.051 53.913 54.000 -0.062 0.000 0.856 662 D CB 0.064 40.837 40.800 -0.044 0.000 0.922 662 D HN -0.066 nan 8.370 nan 0.000 0.518 663 K N 2.076 122.351 120.400 -0.208 0.000 2.436 663 K HA 0.071 4.392 4.320 0.002 0.000 0.275 663 K C -1.380 174.897 176.600 -0.538 0.000 0.999 663 K CA -1.113 54.843 56.287 -0.551 0.000 0.980 663 K CB 0.829 32.525 32.500 -1.340 0.000 0.919 663 K HN 0.044 nan 8.250 nan 0.000 0.484 664 P HA -0.084 nan 4.420 nan 0.000 0.233 664 P C 0.748 178.010 177.300 -0.065 0.000 1.167 664 P CA 1.006 64.020 63.100 -0.143 0.000 0.770 664 P CB 0.007 31.688 31.700 -0.032 0.000 0.837 665 W N -2.367 118.925 121.300 -0.014 0.000 3.256 665 W HA 0.195 4.857 4.660 0.003 0.000 0.269 665 W C -0.344 176.172 176.519 -0.004 0.000 1.310 665 W CA -1.067 56.242 57.345 -0.059 0.000 1.673 665 W CB -1.274 28.084 29.460 -0.170 0.000 1.115 665 W HN -0.215 nan 8.180 nan 0.000 0.686 666 W N 4.122 125.536 121.300 0.190 0.000 2.251 666 W HA 0.212 4.874 4.660 0.003 0.000 0.327 666 W C -1.755 174.974 176.519 0.349 0.000 1.361 666 W CA -1.479 56.064 57.345 0.331 0.000 1.234 666 W CB -0.152 29.340 29.460 0.054 0.000 1.212 666 W HN -0.390 nan 8.180 nan 0.000 0.557 667 P HA -0.081 nan 4.420 nan 0.000 0.266 667 P C 0.521 178.106 177.300 0.474 0.000 1.195 667 P CA 0.141 63.512 63.100 0.452 0.000 0.768 667 P CB 0.756 32.647 31.700 0.319 0.000 0.838 668 K N 2.013 122.574 120.400 0.268 0.000 2.305 668 K HA 0.059 4.380 4.320 0.002 0.000 0.199 668 K C 0.785 177.477 176.600 0.154 0.000 1.047 668 K CA 0.022 56.450 56.287 0.235 0.000 0.976 668 K CB -0.459 32.130 32.500 0.149 0.000 0.765 668 K HN 0.319 nan 8.250 nan 0.000 0.474 669 L N 1.508 122.729 121.223 -0.004 0.000 3.608 669 L HA -0.204 4.138 4.340 0.002 0.000 0.422 669 L C 0.136 176.990 176.870 -0.027 0.000 1.260 669 L CA 0.511 55.273 54.840 -0.131 0.000 0.889 669 L CB -0.725 41.130 42.059 -0.340 0.000 1.821 669 L HN 0.151 nan 8.230 nan 0.000 0.884 670 Q N -0.925 118.876 119.800 0.002 0.000 2.194 670 Q HA 0.376 4.717 4.340 0.002 0.000 0.214 670 Q C 0.777 176.775 176.000 -0.003 0.000 0.838 670 Q CA 0.920 56.732 55.803 0.016 0.000 0.972 670 Q CB 0.887 29.648 28.738 0.039 0.000 1.131 670 Q HN 0.746 nan 8.270 nan 0.000 0.498 671 T N -4.110 110.426 114.554 -0.030 0.000 2.896 671 T HA 0.530 4.882 4.350 0.002 0.000 0.297 671 T C 1.060 175.718 174.700 -0.070 0.000 1.108 671 T CA -0.722 61.358 62.100 -0.032 0.000 1.004 671 T CB 0.942 69.802 68.868 -0.013 0.000 1.159 671 T HN -0.074 nan 8.240 nan 0.000 0.499 672 L N 0.493 121.681 121.223 -0.057 0.000 2.012 672 L HA -0.075 4.267 4.340 0.002 0.000 0.210 672 L C 2.895 179.723 176.870 -0.070 0.000 1.073 672 L CA 1.672 56.468 54.840 -0.073 0.000 0.748 672 L CB -0.658 41.383 42.059 -0.031 0.000 0.891 672 L HN 0.808 nan 8.230 nan 0.000 0.431 673 E N -0.054 120.120 120.200 -0.043 0.000 2.118 673 E HA -0.240 4.112 4.350 0.002 0.000 0.195 673 E C 1.762 178.337 176.600 -0.042 0.000 0.992 673 E CA 1.431 57.810 56.400 -0.035 0.000 0.804 673 E CB -0.066 29.626 29.700 -0.014 0.000 0.741 673 E HN 0.452 nan 8.360 nan 0.000 0.458 674 D N 0.282 120.651 120.400 -0.051 0.000 2.117 674 D HA -0.123 4.518 4.640 0.002 0.000 0.198 674 D C 1.835 178.059 176.300 -0.126 0.000 0.982 674 D CA 0.485 54.445 54.000 -0.067 0.000 0.828 674 D CB -0.170 40.589 40.800 -0.069 0.000 0.967 674 D HN 0.037 nan 8.370 nan 0.000 0.464 675 L N 0.409 121.542 121.223 -0.151 0.000 2.046 675 L HA -0.125 4.216 4.340 0.002 0.000 0.208 675 L C 2.154 178.949 176.870 -0.124 0.000 1.077 675 L CA 1.318 56.054 54.840 -0.173 0.000 0.747 675 L CB -0.521 41.393 42.059 -0.243 0.000 0.896 675 L HN -0.101 nan 8.230 nan 0.000 0.432 676 V N 0.084 119.933 119.914 -0.109 0.000 2.287 676 V HA -0.334 3.787 4.120 0.002 0.000 0.248 676 V C 2.616 178.651 176.094 -0.099 0.000 1.053 676 V CA 2.130 64.365 62.300 -0.107 0.000 1.027 676 V CB -0.746 31.019 31.823 -0.097 0.000 0.646 676 V HN 0.661 nan 8.190 nan 0.000 0.447 677 E N 0.013 120.176 120.200 -0.062 0.000 2.051 677 E HA -0.203 4.148 4.350 0.002 0.000 0.192 677 E C 2.214 178.828 176.600 0.024 0.000 0.991 677 E CA 1.868 58.257 56.400 -0.019 0.000 0.799 677 E CB -0.070 29.644 29.700 0.024 0.000 0.748 677 E HN 0.401 nan 8.360 nan 0.000 0.449 678 V N 0.753 120.685 119.914 0.030 0.000 2.295 678 V HA -0.328 3.793 4.120 0.002 0.000 0.246 678 V C 2.626 178.803 176.094 0.139 0.000 1.049 678 V CA 1.776 64.153 62.300 0.129 0.000 1.024 678 V CB -0.488 31.192 31.823 -0.239 0.000 0.648 678 V HN 0.548 nan 8.190 nan 0.000 0.447 679 C N -0.512 118.808 119.300 0.033 0.000 2.429 679 C HA -0.118 4.343 4.460 0.002 0.000 0.277 679 C C 2.635 177.591 174.990 -0.058 0.000 1.262 679 C CA 0.939 59.958 59.018 0.002 0.000 1.733 679 C CB -1.097 26.590 27.740 -0.088 0.000 2.010 679 C HN 0.618 nan 8.230 nan 0.000 0.483 680 L N 1.228 122.373 121.223 -0.130 0.000 2.012 680 L HA -0.124 4.217 4.340 0.002 0.000 0.210 680 L C 2.182 178.993 176.870 -0.097 0.000 1.073 680 L CA 1.953 56.648 54.840 -0.241 0.000 0.748 680 L CB -0.755 41.051 42.059 -0.422 0.000 0.891 680 L HN 0.339 nan 8.230 nan 0.000 0.431 681 I N -1.002 119.580 120.570 0.020 0.000 2.252 681 I HA -0.305 3.866 4.170 0.002 0.000 0.245 681 I C 2.431 178.672 176.117 0.207 0.000 1.102 681 I CA 1.425 62.804 61.300 0.131 0.000 1.385 681 I CB -0.237 37.633 38.000 -0.216 0.000 1.064 681 I HN 0.247 nan 8.210 nan 0.000 0.414 682 I N 0.766 121.454 120.570 0.197 0.000 2.163 682 I HA -0.327 3.845 4.170 0.002 0.000 0.243 682 I C 2.447 178.662 176.117 0.164 0.000 1.085 682 I CA 1.757 63.189 61.300 0.221 0.000 1.347 682 I CB -0.265 37.863 38.000 0.213 0.000 1.044 682 I HN 0.148 nan 8.210 nan 0.000 0.408 683 I N -0.255 120.330 120.570 0.024 0.000 2.226 683 I HA -0.332 3.839 4.170 0.002 0.000 0.245 683 I C 2.466 178.609 176.117 0.044 0.000 1.100 683 I CA 1.456 62.653 61.300 -0.172 0.000 1.374 683 I CB -0.547 37.215 38.000 -0.396 0.000 1.057 683 I HN 0.544 nan 8.210 nan 0.000 0.413 684 W N 2.342 123.655 121.300 0.021 0.000 2.355 684 W HA -0.218 4.443 4.660 0.003 0.000 0.309 684 W C 2.272 178.919 176.519 0.214 0.000 1.206 684 W CA 1.589 59.035 57.345 0.168 0.000 1.284 684 W CB -0.325 29.345 29.460 0.351 0.000 1.145 684 W HN 0.060 nan 8.180 nan 0.000 0.502 685 I N 1.579 122.235 120.570 0.144 0.000 2.163 685 I HA -0.317 3.854 4.170 0.002 0.000 0.243 685 I C 2.784 178.929 176.117 0.045 0.000 1.085 685 I CA 1.900 63.241 61.300 0.069 0.000 1.347 685 I CB -1.006 37.158 38.000 0.274 0.000 1.044 685 I HN -0.016 nan 8.210 nan 0.000 0.408 686 A N 0.181 123.070 122.820 0.115 0.000 1.969 686 A HA -0.150 4.171 4.320 0.002 0.000 0.218 686 A C 2.334 179.998 177.584 0.132 0.000 1.169 686 A CA 2.045 54.163 52.037 0.135 0.000 0.635 686 A CB -0.443 18.694 19.000 0.228 0.000 0.810 686 A HN 0.551 nan 8.150 nan 0.000 0.445 687 S N -0.971 114.787 115.700 0.097 0.000 2.650 687 S HA 0.467 4.938 4.470 0.002 0.000 0.182 687 S C 2.165 176.791 174.600 0.044 0.000 0.832 687 S CA 0.685 58.970 58.200 0.142 0.000 0.860 687 S CB -0.856 62.459 63.200 0.192 0.000 0.818 687 S HN 0.765 nan 8.310 nan 0.000 0.600 688 A N 1.290 124.025 122.820 -0.142 0.000 1.898 688 A HA 0.145 4.467 4.320 0.002 0.000 0.216 688 A C 2.272 179.587 177.584 -0.447 0.000 1.181 688 A CA 1.521 53.386 52.037 -0.286 0.000 0.620 688 A CB -1.062 17.714 19.000 -0.373 0.000 0.819 688 A HN 0.508 nan 8.150 nan 0.000 0.442 689 L N -0.521 120.201 121.223 -0.836 0.000 2.017 689 L HA -0.197 4.144 4.340 0.002 0.000 0.208 689 L C 2.430 179.246 176.870 -0.091 0.000 1.073 689 L CA 2.720 57.290 54.840 -0.450 0.000 0.745 689 L CB -0.875 40.937 42.059 -0.412 0.000 0.894 689 L HN 0.653 nan 8.230 nan 0.000 0.432 690 H N -0.480 118.531 119.070 -0.098 0.000 2.321 690 H HA -0.151 4.406 4.556 0.002 0.000 0.300 690 H C 1.907 177.262 175.328 0.045 0.000 1.087 690 H CA 1.604 57.651 56.048 -0.002 0.000 1.319 690 H CB 0.203 29.977 29.762 0.020 0.000 1.379 690 H HN 0.470 nan 8.280 nan 0.000 0.501 691 A N 1.299 124.170 122.820 0.084 0.000 1.908 691 A HA -0.133 4.188 4.320 0.002 0.000 0.218 691 A C 2.720 180.380 177.584 0.126 0.000 1.181 691 A CA 1.966 54.170 52.037 0.279 0.000 0.627 691 A CB -1.122 18.068 19.000 0.316 0.000 0.818 691 A HN 0.600 nan 8.150 nan 0.000 0.445 692 A N -0.308 122.553 122.820 0.067 0.000 1.933 692 A HA 0.020 4.341 4.320 0.002 0.000 0.218 692 A C 2.163 179.762 177.584 0.024 0.000 1.175 692 A CA 2.099 54.202 52.037 0.110 0.000 0.628 692 A CB -0.927 18.239 19.000 0.277 0.000 0.814 692 A HN 1.194 nan 8.150 nan 0.000 0.444 693 V N -2.634 117.236 119.914 -0.073 0.000 3.506 693 V HA 0.103 4.225 4.120 0.002 0.000 0.263 693 V C 1.489 177.461 176.094 -0.204 0.000 1.203 693 V CA 1.731 64.006 62.300 -0.041 0.000 1.133 693 V CB -0.766 31.057 31.823 0.001 0.000 0.802 693 V HN 0.510 nan 8.190 nan 0.000 0.459 694 N N 0.319 118.726 118.700 -0.488 0.000 2.420 694 N HA 0.171 4.912 4.740 0.002 0.000 0.185 694 N C 1.241 176.439 175.510 -0.521 0.000 1.033 694 N CA 0.838 53.423 53.050 -0.774 0.000 0.879 694 N CB -0.114 37.574 38.487 -1.332 0.000 1.071 694 N HN 0.369 nan 8.380 nan 0.000 0.437 695 F N 0.016 119.896 119.950 -0.116 0.000 2.802 695 F HA 0.315 4.843 4.527 0.002 0.000 0.300 695 F C 2.027 177.876 175.800 0.083 0.000 1.168 695 F CA 0.477 58.447 58.000 -0.051 0.000 1.433 695 F CB -0.105 38.830 39.000 -0.108 0.000 1.115 695 F HN 0.152 nan 8.300 nan 0.000 0.582 696 G N -1.110 107.830 108.800 0.232 0.000 3.042 696 G HA2 -0.017 3.945 3.960 0.002 0.000 0.212 696 G HA3 -0.017 3.945 3.960 0.002 0.000 0.212 696 G C 1.364 176.446 174.900 0.304 0.000 1.166 696 G CA -0.078 45.284 45.100 0.437 0.000 0.767 696 G HN 0.275 nan 8.290 nan 0.000 0.546 697 Q N -0.594 119.316 119.800 0.182 0.000 1.993 697 Q HA -0.150 4.191 4.340 0.002 0.000 0.202 697 Q C 2.003 178.105 176.000 0.171 0.000 0.984 697 Q CA 1.375 57.274 55.803 0.161 0.000 0.837 697 Q CB -0.216 28.625 28.738 0.171 0.000 0.902 697 Q HN 0.591 nan 8.270 nan 0.000 0.423 698 Y N 0.906 121.257 120.300 0.084 0.000 2.220 698 Y HA -0.078 4.474 4.550 0.002 0.000 0.291 698 Y C -0.981 174.920 175.900 0.001 0.000 1.129 698 Y CA 0.978 59.111 58.100 0.055 0.000 1.161 698 Y CB -0.711 37.794 38.460 0.075 0.000 0.997 698 Y HN 0.080 nan 8.280 nan 0.000 0.522 699 P HA -0.227 nan 4.420 nan 0.000 0.216 699 P C 0.751 177.799 177.300 -0.419 0.000 1.154 699 P CA 2.158 65.125 63.100 -0.222 0.000 0.865 699 P CB -0.155 31.213 31.700 -0.554 0.000 0.789 700 Y N -2.229 117.980 120.300 -0.152 0.000 2.479 700 Y HA 0.271 4.822 4.550 0.002 0.000 0.283 700 Y C 2.505 178.281 175.900 -0.207 0.000 1.109 700 Y CA 1.135 59.143 58.100 -0.152 0.000 1.239 700 Y CB -0.831 37.590 38.460 -0.066 0.000 1.108 700 Y HN -0.105 nan 8.280 nan 0.000 0.548 701 G N -1.186 107.583 108.800 -0.052 0.000 3.088 701 G HA2 0.084 4.045 3.960 0.002 0.000 0.217 701 G HA3 0.084 4.045 3.960 0.002 0.000 0.217 701 G C 1.776 176.488 174.900 -0.313 0.000 1.159 701 G CA 0.497 45.518 45.100 -0.132 0.000 0.760 701 G HN 0.436 nan 8.290 nan 0.000 0.550 702 G N 0.267 108.714 108.800 -0.588 0.000 2.559 702 G HA2 0.077 4.038 3.960 0.002 0.000 0.216 702 G HA3 0.077 4.038 3.960 0.002 0.000 0.216 702 G C 0.487 175.025 174.900 -0.603 0.000 1.126 702 G CA 0.146 44.619 45.100 -1.045 0.000 0.778 702 G HN 0.375 nan 8.290 nan 0.000 0.543 703 L N 0.797 121.740 121.223 -0.467 0.000 2.277 703 L HA 0.501 4.842 4.340 0.002 0.000 0.284 703 L C 1.185 177.768 176.870 -0.478 0.000 1.028 703 L CA -0.718 53.860 54.840 -0.437 0.000 0.835 703 L CB 1.300 43.081 42.059 -0.463 0.000 1.215 703 L HN -0.027 nan 8.230 nan 0.000 0.425 704 I N 4.270 124.573 120.570 -0.444 0.000 2.361 704 I HA -0.227 3.945 4.170 0.002 0.000 0.251 704 I C 1.817 177.687 176.117 -0.412 0.000 1.133 704 I CA 1.656 62.739 61.300 -0.363 0.000 1.413 704 I CB 0.034 37.871 38.000 -0.270 0.000 1.073 704 I HN 0.815 nan 8.210 nan 0.000 0.424 705 M N -0.129 119.084 119.600 -0.646 0.000 2.213 705 M HA -0.190 4.291 4.480 0.002 0.000 0.263 705 M C 2.000 177.800 176.300 -0.834 0.000 1.062 705 M CA 1.695 56.539 55.300 -0.761 0.000 1.105 705 M CB -0.791 30.896 32.600 -1.521 0.000 1.385 705 M HN 0.259 nan 8.290 nan 0.000 0.417 706 N N 0.266 118.420 118.700 -0.910 0.000 2.250 706 N HA -0.043 4.698 4.740 0.002 0.000 0.181 706 N C -0.015 175.396 175.510 -0.164 0.000 1.017 706 N CA 0.916 53.674 53.050 -0.487 0.000 0.866 706 N CB 0.409 38.684 38.487 -0.354 0.000 0.985 706 N HN 0.027 nan 8.380 nan 0.000 0.429 707 R N 0.654 121.041 120.500 -0.189 0.000 2.681 707 R HA 0.334 4.675 4.340 0.002 0.000 0.277 707 R C -2.646 173.587 176.300 -0.110 0.000 1.563 707 R CA -1.701 54.343 56.100 -0.093 0.000 1.673 707 R CB 0.897 31.159 30.300 -0.064 0.000 1.258 707 R HN 0.283 nan 8.270 nan 0.000 0.650 708 P HA 0.006 nan 4.420 nan 0.000 0.268 708 P C 0.797 178.032 177.300 -0.107 0.000 1.204 708 P CA 0.274 63.289 63.100 -0.140 0.000 0.768 708 P CB 0.882 32.481 31.700 -0.169 0.000 0.842 709 T N -0.429 114.017 114.554 -0.180 0.000 3.044 709 T HA 0.444 4.795 4.350 0.002 0.000 0.250 709 T C 0.603 175.225 174.700 -0.131 0.000 1.081 709 T CA 0.166 62.117 62.100 -0.247 0.000 1.040 709 T CB 0.098 68.519 68.868 -0.744 0.000 0.962 709 T HN 0.622 nan 8.240 nan 0.000 0.506 710 A N 0.951 123.701 122.820 -0.117 0.000 2.604 710 A HA 0.720 5.041 4.320 0.002 0.000 0.295 710 A C -0.686 176.853 177.584 -0.074 0.000 1.067 710 A CA -0.756 51.244 52.037 -0.061 0.000 0.683 710 A CB 1.384 20.335 19.000 -0.082 0.000 1.281 710 A HN 0.592 nan 8.150 nan 0.000 0.407 711 S N 0.181 115.867 115.700 -0.023 0.000 2.542 711 S HA 0.746 5.218 4.470 0.002 0.000 0.293 711 S C -0.054 174.559 174.600 0.021 0.000 1.089 711 S CA -0.861 57.325 58.200 -0.023 0.000 0.961 711 S CB 1.961 65.202 63.200 0.069 0.000 1.062 711 S HN 0.721 nan 8.310 nan 0.000 0.483 712 R N 0.277 120.784 120.500 0.013 0.000 2.487 712 R HA 0.284 4.626 4.340 0.002 0.000 0.272 712 R C 0.174 176.495 176.300 0.036 0.000 0.928 712 R CA -0.104 56.004 56.100 0.013 0.000 1.077 712 R CB 0.533 30.824 30.300 -0.015 0.000 1.265 712 R HN 0.830 nan 8.270 nan 0.000 0.537 713 R N -0.172 120.377 120.500 0.081 0.000 2.692 713 R HA 0.360 4.702 4.340 0.002 0.000 0.269 713 R C -1.040 175.365 176.300 0.175 0.000 1.030 713 R CA -0.841 55.314 56.100 0.091 0.000 0.882 713 R CB 0.982 31.332 30.300 0.084 0.000 1.250 713 R HN -0.159 nan 8.270 nan 0.000 0.465 714 L N 1.215 122.476 121.223 0.063 0.000 2.490 714 L HA 0.370 4.711 4.340 0.002 0.000 0.245 714 L C 0.557 177.572 176.870 0.242 0.000 1.185 714 L CA -1.100 53.745 54.840 0.009 0.000 0.813 714 L CB 0.271 42.240 42.059 -0.150 0.000 1.233 714 L HN 0.420 nan 8.230 nan 0.000 0.489 715 L N 1.965 123.377 121.223 0.316 0.000 2.485 715 L HA 0.130 4.472 4.340 0.002 0.000 0.275 715 L C -1.799 175.210 176.870 0.233 0.000 1.207 715 L CA -1.470 53.553 54.840 0.305 0.000 0.855 715 L CB 0.022 42.245 42.059 0.274 0.000 1.114 715 L HN 0.401 nan 8.230 nan 0.000 0.485 716 P HA 0.126 nan 4.420 nan 0.000 0.274 716 P C -0.935 176.536 177.300 0.284 0.000 1.231 716 P CA -0.471 62.769 63.100 0.232 0.000 0.790 716 P CB 0.826 32.672 31.700 0.244 0.000 0.951 717 E N 1.117 121.431 120.200 0.189 0.000 2.313 717 E HA 0.140 4.491 4.350 0.002 0.000 0.272 717 E C 0.223 176.796 176.600 -0.046 0.000 1.038 717 E CA -0.752 55.703 56.400 0.091 0.000 0.863 717 E CB 1.354 31.078 29.700 0.040 0.000 1.060 717 E HN 0.384 nan 8.360 nan 0.000 0.402 718 K N -0.019 120.135 120.400 -0.409 0.000 2.518 718 K HA -0.004 4.318 4.320 0.002 0.000 0.276 718 K C 0.796 177.206 176.600 -0.317 0.000 0.974 718 K CA 1.270 57.046 56.287 -0.852 0.000 0.986 718 K CB 0.102 32.131 32.500 -0.785 0.000 0.901 718 K HN 0.750 nan 8.250 nan 0.000 0.497 719 G N 1.688 110.355 108.800 -0.222 0.000 2.157 719 G HA2 -0.253 3.708 3.960 0.002 0.000 0.248 719 G HA3 -0.253 3.708 3.960 0.002 0.000 0.248 719 G C 0.002 174.903 174.900 0.002 0.000 0.979 719 G CA 0.528 45.586 45.100 -0.070 0.000 0.650 719 G HN 0.857 nan 8.290 nan 0.000 0.529 720 T N -2.900 111.684 114.554 0.050 0.000 2.912 720 T HA 0.745 5.096 4.350 0.002 0.000 0.288 720 T C -1.027 173.746 174.700 0.122 0.000 1.030 720 T CA -1.129 61.021 62.100 0.084 0.000 1.020 720 T CB 3.076 72.001 68.868 0.095 0.000 1.056 720 T HN -0.119 nan 8.240 nan 0.000 0.480 721 P HA -0.092 nan 4.420 nan 0.000 0.216 721 P C 1.051 178.414 177.300 0.105 0.000 1.150 721 P CA 1.179 64.333 63.100 0.089 0.000 0.837 721 P CB 0.142 31.880 31.700 0.064 0.000 0.786 722 E N -1.236 119.032 120.200 0.113 0.000 2.085 722 E HA -0.203 4.148 4.350 0.002 0.000 0.194 722 E C 2.094 178.776 176.600 0.137 0.000 0.994 722 E CA 1.038 57.506 56.400 0.113 0.000 0.801 722 E CB -1.205 28.562 29.700 0.113 0.000 0.743 722 E HN 0.334 nan 8.360 nan 0.000 0.453 723 Y N 1.574 121.910 120.300 0.060 0.000 2.181 723 Y HA -0.210 4.341 4.550 0.002 0.000 0.288 723 Y C 1.952 177.887 175.900 0.057 0.000 1.146 723 Y CA 1.507 59.645 58.100 0.063 0.000 1.164 723 Y CB 0.236 38.730 38.460 0.056 0.000 0.982 723 Y HN -0.041 nan 8.280 nan 0.000 0.515 724 E N 0.301 120.629 120.200 0.213 0.000 2.153 724 E HA -0.249 4.102 4.350 0.002 0.000 0.194 724 E C 2.037 178.662 176.600 0.042 0.000 0.988 724 E CA 1.334 57.811 56.400 0.129 0.000 0.811 724 E CB -0.341 29.430 29.700 0.119 0.000 0.746 724 E HN 0.679 nan 8.360 nan 0.000 0.466 725 E N 0.408 120.632 120.200 0.039 0.000 2.110 725 E HA -0.150 4.202 4.350 0.002 0.000 0.193 725 E C 2.079 178.679 176.600 0.000 0.000 0.988 725 E CA 0.801 57.215 56.400 0.024 0.000 0.804 725 E CB -0.003 29.719 29.700 0.038 0.000 0.745 725 E HN 0.202 nan 8.360 nan 0.000 0.458 726 M N 0.157 119.729 119.600 -0.048 0.000 2.149 726 M HA -0.203 4.278 4.480 0.002 0.000 0.261 726 M C 2.210 178.476 176.300 -0.057 0.000 1.064 726 M CA 1.366 56.624 55.300 -0.071 0.000 1.102 726 M CB -0.298 32.182 32.600 -0.201 0.000 1.369 726 M HN 0.221 nan 8.290 nan 0.000 0.408 727 I N 0.021 120.543 120.570 -0.080 0.000 2.277 727 I HA -0.240 3.932 4.170 0.002 0.000 0.243 727 I C 1.884 178.007 176.117 0.009 0.000 1.094 727 I CA 0.996 62.275 61.300 -0.035 0.000 1.393 727 I CB -0.479 37.514 38.000 -0.013 0.000 1.078 727 I HN 0.321 nan 8.210 nan 0.000 0.417 728 N N 0.341 119.050 118.700 0.017 0.000 2.415 728 N HA -0.031 4.711 4.740 0.002 0.000 0.176 728 N C 0.355 175.880 175.510 0.024 0.000 1.042 728 N CA 0.626 53.690 53.050 0.023 0.000 0.902 728 N CB 0.005 38.505 38.487 0.021 0.000 0.986 728 N HN 0.219 nan 8.380 nan 0.000 0.447 729 N N 0.486 119.199 118.700 0.021 0.000 2.732 729 N HA -0.020 4.721 4.740 0.002 0.000 0.235 729 N C 0.659 176.133 175.510 -0.060 0.000 1.466 729 N CA -0.184 52.849 53.050 -0.029 0.000 0.751 729 N CB -0.132 38.336 38.487 -0.032 0.000 1.317 729 N HN 0.184 nan 8.380 nan 0.000 0.525 730 H N 0.171 119.189 119.070 -0.085 0.000 2.421 730 H HA 0.024 4.581 4.556 0.002 0.000 0.298 730 H C 0.473 175.735 175.328 -0.110 0.000 1.087 730 H CA 1.196 57.200 56.048 -0.074 0.000 1.330 730 H CB 0.314 30.032 29.762 -0.074 0.000 1.388 730 H HN 0.458 nan 8.280 nan 0.000 0.526 731 E N 0.678 120.316 120.200 -0.938 0.000 2.072 731 E HA -0.139 4.212 4.350 0.002 0.000 0.191 731 E C 2.236 178.677 176.600 -0.266 0.000 0.985 731 E CA 1.055 56.886 56.400 -0.949 0.000 0.801 731 E CB 0.108 29.016 29.700 -1.321 0.000 0.750 731 E HN 0.230 nan 8.360 nan 0.000 0.452 732 K N 1.262 121.564 120.400 -0.162 0.000 2.097 732 K HA -0.046 4.275 4.320 0.002 0.000 0.205 732 K C 1.825 178.458 176.600 0.054 0.000 1.050 732 K CA 1.276 57.565 56.287 0.003 0.000 0.938 732 K CB -0.422 32.095 32.500 0.029 0.000 0.718 732 K HN 0.088 nan 8.250 nan 0.000 0.442 733 A N -0.276 122.571 122.820 0.045 0.000 1.908 733 A HA -0.213 4.108 4.320 0.002 0.000 0.218 733 A C 2.253 179.902 177.584 0.109 0.000 1.181 733 A CA 1.794 53.877 52.037 0.076 0.000 0.627 733 A CB -1.073 17.975 19.000 0.079 0.000 0.818 733 A HN 0.511 nan 8.150 nan 0.000 0.445 734 Y N 0.245 120.571 120.300 0.042 0.000 2.145 734 Y HA -0.153 4.399 4.550 0.002 0.000 0.286 734 Y C 2.061 178.012 175.900 0.084 0.000 1.145 734 Y CA 2.039 60.199 58.100 0.099 0.000 1.148 734 Y CB -0.219 38.406 38.460 0.275 0.000 0.981 734 Y HN 0.222 nan 8.280 nan 0.000 0.507 735 L N -0.361 121.040 121.223 0.298 0.000 2.141 735 L HA -0.177 4.165 4.340 0.002 0.000 0.209 735 L C 2.387 179.293 176.870 0.061 0.000 1.094 735 L CA 1.159 56.121 54.840 0.203 0.000 0.763 735 L CB -0.420 41.781 42.059 0.237 0.000 0.908 735 L HN 0.132 nan 8.230 nan 0.000 0.437 736 R N -0.938 119.586 120.500 0.040 0.000 2.189 736 R HA -0.056 4.286 4.340 0.002 0.000 0.218 736 R C 2.119 178.401 176.300 -0.031 0.000 1.074 736 R CA 1.352 57.458 56.100 0.011 0.000 0.991 736 R CB -0.308 30.011 30.300 0.032 0.000 0.883 736 R HN 0.307 nan 8.270 nan 0.000 0.457 737 T N 1.564 116.065 114.554 -0.090 0.000 2.894 737 T HA 0.048 4.399 4.350 0.002 0.000 0.258 737 T C 1.270 175.841 174.700 -0.214 0.000 1.043 737 T CA 0.739 62.740 62.100 -0.164 0.000 1.141 737 T CB -0.037 68.657 68.868 -0.288 0.000 0.873 737 T HN 0.230 nan 8.240 nan 0.000 0.449 738 I N -0.169 120.244 120.570 -0.261 0.000 3.502 738 I HA 0.401 4.572 4.170 0.002 0.000 0.302 738 I C 0.024 176.064 176.117 -0.129 0.000 1.170 738 I CA -1.097 60.061 61.300 -0.238 0.000 0.953 738 I CB 0.066 37.880 38.000 -0.310 0.000 1.475 738 I HN -0.199 nan 8.210 nan 0.000 0.657 739 T N 2.109 116.587 114.554 -0.128 0.000 2.867 739 T HA -0.041 4.311 4.350 0.002 0.000 0.290 739 T C 0.328 174.983 174.700 -0.075 0.000 1.025 739 T CA 0.179 62.209 62.100 -0.115 0.000 1.146 739 T CB -0.027 68.753 68.868 -0.146 0.000 1.024 739 T HN 0.656 nan 8.240 nan 0.000 0.519 740 S N 1.152 116.784 115.700 -0.112 0.000 2.589 740 S HA 0.102 4.573 4.470 0.002 0.000 0.265 740 S C 1.661 176.120 174.600 -0.235 0.000 1.342 740 S CA -0.639 57.471 58.200 -0.151 0.000 1.005 740 S CB 0.595 63.696 63.200 -0.166 0.000 0.909 740 S HN 0.832 nan 8.310 nan 0.000 0.555 741 K N 1.375 121.511 120.400 -0.440 0.000 2.044 741 K HA -0.169 4.152 4.320 0.002 0.000 0.210 741 K C 1.965 178.270 176.600 -0.492 0.000 1.049 741 K CA 1.820 57.650 56.287 -0.761 0.000 0.927 741 K CB -0.395 31.455 32.500 -1.084 0.000 0.713 741 K HN 0.566 nan 8.250 nan 0.000 0.443 742 L N 1.707 122.541 121.223 -0.649 0.000 1.976 742 L HA -0.081 4.261 4.340 0.002 0.000 0.209 742 L C -1.273 175.328 176.870 -0.448 0.000 1.071 742 L CA 1.765 56.061 54.840 -0.907 0.000 0.746 742 L CB -1.145 40.140 42.059 -1.290 0.000 0.890 742 L HN 0.162 nan 8.230 nan 0.000 0.432 743 P HA -0.117 nan 4.420 nan 0.000 0.220 743 P C 1.535 178.738 177.300 -0.162 0.000 1.148 743 P CA 1.628 64.607 63.100 -0.201 0.000 0.803 743 P CB -0.303 31.286 31.700 -0.185 0.000 0.782 744 T N 1.063 115.518 114.554 -0.166 0.000 2.652 744 T HA -0.123 4.228 4.350 0.002 0.000 0.267 744 T C 1.930 176.578 174.700 -0.088 0.000 1.039 744 T CA 1.294 63.336 62.100 -0.097 0.000 1.153 744 T CB -0.908 67.984 68.868 0.040 0.000 0.863 744 T HN 0.083 nan 8.240 nan 0.000 0.428 745 L N 0.124 121.268 121.223 -0.131 0.000 2.079 745 L HA -0.091 4.251 4.340 0.002 0.000 0.210 745 L C 2.446 179.398 176.870 0.137 0.000 1.081 745 L CA 1.263 56.045 54.840 -0.097 0.000 0.752 745 L CB -0.659 41.131 42.059 -0.449 0.000 0.896 745 L HN 0.291 nan 8.230 nan 0.000 0.433 746 I N -0.431 120.204 120.570 0.109 0.000 2.233 746 I HA -0.243 3.928 4.170 0.002 0.000 0.243 746 I C 2.813 179.043 176.117 0.188 0.000 1.093 746 I CA 1.472 62.923 61.300 0.251 0.000 1.380 746 I CB -0.291 37.796 38.000 0.145 0.000 1.067 746 I HN 0.316 nan 8.210 nan 0.000 0.413 747 S N 1.247 116.989 115.700 0.071 0.000 2.402 747 S HA -0.090 4.382 4.470 0.002 0.000 0.229 747 S C 2.008 176.683 174.600 0.125 0.000 1.021 747 S CA 0.795 59.022 58.200 0.044 0.000 0.974 747 S CB -0.796 62.335 63.200 -0.114 0.000 0.800 747 S HN 0.386 nan 8.310 nan 0.000 0.484 748 L N 1.269 122.577 121.223 0.140 0.000 2.093 748 L HA -0.053 4.288 4.340 0.002 0.000 0.208 748 L C 2.944 180.093 176.870 0.465 0.000 1.085 748 L CA 1.318 56.310 54.840 0.254 0.000 0.755 748 L CB -0.778 41.303 42.059 0.036 0.000 0.904 748 L HN 0.348 nan 8.230 nan 0.000 0.435 749 S N -0.480 115.522 115.700 0.503 0.000 2.356 749 S HA -0.142 4.329 4.470 0.002 0.000 0.223 749 S C 2.049 176.789 174.600 0.234 0.000 1.032 749 S CA 1.147 59.609 58.200 0.437 0.000 1.005 749 S CB -0.198 63.324 63.200 0.537 0.000 0.867 749 S HN 0.140 nan 8.310 nan 0.000 0.449 750 V N 3.348 123.393 119.914 0.218 0.000 2.255 750 V HA -0.203 3.918 4.120 0.002 0.000 0.247 750 V C 2.231 178.426 176.094 0.168 0.000 1.051 750 V CA 2.008 64.403 62.300 0.159 0.000 1.018 750 V CB -0.890 31.023 31.823 0.149 0.000 0.641 750 V HN 0.656 nan 8.190 nan 0.000 0.445 751 I N -1.465 119.239 120.570 0.223 0.000 2.493 751 I HA -0.182 3.990 4.170 0.002 0.000 0.254 751 I C 2.299 178.562 176.117 0.244 0.000 1.160 751 I CA 1.946 63.395 61.300 0.248 0.000 1.445 751 I CB -0.588 37.576 38.000 0.273 0.000 1.086 751 I HN 0.384 nan 8.210 nan 0.000 0.433 752 E N 1.963 122.284 120.200 0.202 0.000 2.047 752 E HA -0.189 4.162 4.350 0.002 0.000 0.191 752 E C 2.291 178.864 176.600 -0.045 0.000 0.987 752 E CA 1.596 57.947 56.400 -0.083 0.000 0.799 752 E CB -0.078 29.435 29.700 -0.311 0.000 0.752 752 E HN 0.639 nan 8.360 nan 0.000 0.449 753 I N 1.080 121.648 120.570 -0.002 0.000 2.163 753 I HA -0.317 3.855 4.170 0.002 0.000 0.243 753 I C 2.381 178.527 176.117 0.049 0.000 1.085 753 I CA 1.045 62.349 61.300 0.006 0.000 1.347 753 I CB -0.246 37.767 38.000 0.022 0.000 1.044 753 I HN 0.199 nan 8.210 nan 0.000 0.408 754 L N -0.229 121.039 121.223 0.075 0.000 2.275 754 L HA -0.129 4.213 4.340 0.002 0.000 0.215 754 L C 2.098 178.958 176.870 -0.016 0.000 1.119 754 L CA 0.856 55.737 54.840 0.069 0.000 0.790 754 L CB -0.512 41.619 42.059 0.120 0.000 0.919 754 L HN 0.170 nan 8.230 nan 0.000 0.443 755 S N -1.403 114.326 115.700 0.047 0.000 2.593 755 S HA 0.038 4.509 4.470 0.002 0.000 0.217 755 S C 0.722 175.438 174.600 0.193 0.000 0.966 755 S CA 0.100 58.364 58.200 0.107 0.000 0.914 755 S CB 0.019 63.330 63.200 0.184 0.000 0.776 755 S HN 0.293 nan 8.310 nan 0.000 0.523 756 T N 2.580 117.215 114.554 0.136 0.000 2.795 756 T HA 0.279 4.631 4.350 0.002 0.000 0.282 756 T C -0.546 174.243 174.700 0.149 0.000 0.980 756 T CA -0.427 61.732 62.100 0.098 0.000 1.012 756 T CB 0.615 69.512 68.868 0.050 0.000 0.936 756 T HN 0.172 nan 8.240 nan 0.000 0.457 757 H N 1.764 120.954 119.070 0.199 0.000 2.604 757 H HA 0.481 5.038 4.556 0.002 0.000 0.306 757 H C 0.472 175.859 175.328 0.099 0.000 1.075 757 H CA -0.567 55.563 56.048 0.137 0.000 1.357 757 H CB 0.754 30.567 29.762 0.086 0.000 1.426 757 H HN 0.805 nan 8.280 nan 0.000 0.470 758 A N 2.547 125.489 122.820 0.203 0.000 2.483 758 A HA 0.047 4.369 4.320 0.002 0.000 0.238 758 A C 1.519 179.172 177.584 0.116 0.000 1.070 758 A CA 0.302 52.403 52.037 0.107 0.000 0.770 758 A CB 0.169 19.205 19.000 0.061 0.000 1.008 758 A HN 0.849 nan 8.150 nan 0.000 0.497 759 S N 0.173 115.928 115.700 0.091 0.000 2.474 759 S HA -0.113 4.359 4.470 0.002 0.000 0.235 759 S C 0.611 175.268 174.600 0.096 0.000 0.997 759 S CA 1.181 59.438 58.200 0.096 0.000 0.949 759 S CB -0.304 62.939 63.200 0.072 0.000 0.766 759 S HN 0.802 nan 8.310 nan 0.000 0.517 760 D N 0.169 120.626 120.400 0.094 0.000 2.388 760 D HA 0.230 4.871 4.640 0.002 0.000 0.221 760 D C 0.208 176.538 176.300 0.051 0.000 1.133 760 D CA -0.465 53.590 54.000 0.091 0.000 0.831 760 D CB -0.381 40.497 40.800 0.130 0.000 0.962 760 D HN 0.346 nan 8.370 nan 0.000 0.502 761 E N 0.348 120.546 120.200 -0.003 0.000 2.437 761 E HA 0.136 4.488 4.350 0.002 0.000 0.263 761 E C -0.798 175.663 176.600 -0.232 0.000 1.030 761 E CA -0.167 56.115 56.400 -0.197 0.000 0.934 761 E CB 0.910 30.312 29.700 -0.497 0.000 0.943 761 E HN -0.026 nan 8.360 nan 0.000 0.444 762 V N 5.944 125.701 119.914 -0.262 0.000 2.334 762 V HA 0.256 4.377 4.120 0.002 0.000 0.281 762 V C -0.648 175.301 176.094 -0.242 0.000 1.016 762 V CA -0.649 61.556 62.300 -0.157 0.000 0.832 762 V CB 0.085 31.855 31.823 -0.088 0.000 0.999 762 V HN 0.589 nan 8.190 nan 0.000 0.439 763 Y N 2.942 123.206 120.300 -0.059 0.000 2.374 763 Y HA 0.489 5.040 4.550 0.002 0.000 0.322 763 Y C 0.360 176.234 175.900 -0.044 0.000 1.275 763 Y CA -0.849 57.207 58.100 -0.074 0.000 1.307 763 Y CB 0.924 39.303 38.460 -0.135 0.000 1.282 763 Y HN 0.474 nan 8.280 nan 0.000 0.509 764 L N 1.989 123.306 121.223 0.157 0.000 2.540 764 L HA 0.228 4.569 4.340 0.002 0.000 0.276 764 L C 1.052 177.860 176.870 -0.104 0.000 1.212 764 L CA 1.561 56.467 54.840 0.110 0.000 0.893 764 L CB -0.311 41.825 42.059 0.129 0.000 1.138 764 L HN 0.879 nan 8.230 nan 0.000 0.491 765 G N 2.565 111.269 108.800 -0.160 0.000 2.176 765 G HA2 -0.227 3.734 3.960 0.002 0.000 0.253 765 G HA3 -0.227 3.734 3.960 0.002 0.000 0.253 765 G C 0.241 175.041 174.900 -0.166 0.000 0.979 765 G CA 0.291 45.066 45.100 -0.540 0.000 0.641 765 G HN 0.633 nan 8.290 nan 0.000 0.530 766 Q N -0.372 119.507 119.800 0.131 0.000 2.348 766 Q HA 0.784 5.125 4.340 0.002 0.000 0.271 766 Q C 0.011 176.093 176.000 0.137 0.000 1.067 766 Q CA -0.929 54.980 55.803 0.177 0.000 0.839 766 Q CB 1.770 30.562 28.738 0.091 0.000 1.354 766 Q HN 0.235 nan 8.270 nan 0.000 0.447 767 R N 0.732 121.251 120.500 0.032 0.000 2.888 767 R HA 0.153 4.494 4.340 0.002 0.000 0.266 767 R C -0.210 176.055 176.300 -0.058 0.000 1.020 767 R CA -0.477 55.510 56.100 -0.187 0.000 0.963 767 R CB 1.179 31.181 30.300 -0.496 0.000 1.197 767 R HN 0.787 nan 8.270 nan 0.000 0.481 768 D N -0.960 119.404 120.400 -0.059 0.000 2.347 768 D HA -0.060 4.582 4.640 0.002 0.000 0.215 768 D C 0.045 176.379 176.300 0.057 0.000 0.976 768 D CA 0.633 54.642 54.000 0.015 0.000 0.884 768 D CB 0.273 41.091 40.800 0.031 0.000 0.915 768 D HN 0.216 nan 8.370 nan 0.000 0.526 769 N N -0.320 118.428 118.700 0.080 0.000 2.425 769 N HA 0.129 4.870 4.740 0.002 0.000 0.289 769 N C -2.376 173.229 175.510 0.158 0.000 1.074 769 N CA -1.397 51.725 53.050 0.120 0.000 0.905 769 N CB 2.358 40.941 38.487 0.159 0.000 1.586 769 N HN -0.274 nan 8.380 nan 0.000 0.490 770 P HA -0.022 nan 4.420 nan 0.000 0.231 770 P C 0.004 177.117 177.300 -0.312 0.000 1.158 770 P CA 1.036 64.056 63.100 -0.133 0.000 0.763 770 P CB 0.157 31.645 31.700 -0.352 0.000 0.805 771 H N -1.265 117.857 119.070 0.086 0.000 2.475 771 H HA 0.087 4.645 4.556 0.002 0.000 0.276 771 H C 1.505 176.795 175.328 -0.064 0.000 1.126 771 H CA -0.502 55.513 56.048 -0.055 0.000 1.023 771 H CB -0.515 29.225 29.762 -0.037 0.000 1.669 771 H HN 0.378 nan 8.280 nan 0.000 0.573 772 W N 0.739 122.059 121.300 0.034 0.000 2.364 772 W HA -0.045 4.616 4.660 0.002 0.000 0.281 772 W C -0.137 176.394 176.519 0.019 0.000 1.219 772 W CA 0.811 58.165 57.345 0.015 0.000 1.220 772 W CB -0.564 28.870 29.460 -0.042 0.000 1.127 772 W HN 0.059 nan 8.180 nan 0.000 0.556 773 T N 0.066 114.264 114.554 -0.594 0.000 2.903 773 T HA 0.301 4.653 4.350 0.002 0.000 0.299 773 T C 0.850 175.320 174.700 -0.384 0.000 1.093 773 T CA 0.119 61.934 62.100 -0.475 0.000 1.002 773 T CB 1.758 70.253 68.868 -0.622 0.000 1.127 773 T HN -0.004 nan 8.240 nan 0.000 0.488 774 S N 1.393 116.954 115.700 -0.231 0.000 2.548 774 S HA 0.159 4.631 4.470 0.002 0.000 0.215 774 S C 0.099 174.636 174.600 -0.105 0.000 0.976 774 S CA -0.154 57.969 58.200 -0.127 0.000 0.908 774 S CB -0.099 63.093 63.200 -0.013 0.000 0.781 774 S HN 0.677 nan 8.310 nan 0.000 0.519 775 D N 3.461 123.775 120.400 -0.144 0.000 2.348 775 D HA 0.192 4.834 4.640 0.002 0.000 0.259 775 D C 1.315 177.555 176.300 -0.100 0.000 1.296 775 D CA 0.235 54.173 54.000 -0.102 0.000 0.931 775 D CB 1.319 42.087 40.800 -0.052 0.000 1.067 775 D HN 0.440 nan 8.370 nan 0.000 0.503 776 S N 2.895 118.555 115.700 -0.066 0.000 2.383 776 S HA -0.241 4.230 4.470 0.002 0.000 0.229 776 S C 1.557 176.158 174.600 0.002 0.000 1.030 776 S CA 0.825 59.006 58.200 -0.032 0.000 1.002 776 S CB -0.006 63.183 63.200 -0.019 0.000 0.829 776 S HN 0.365 nan 8.310 nan 0.000 0.467 777 K N 1.600 121.990 120.400 -0.017 0.000 2.063 777 K HA 0.030 4.352 4.320 0.002 0.000 0.208 777 K C 2.571 179.233 176.600 0.103 0.000 1.048 777 K CA 1.270 57.563 56.287 0.010 0.000 0.928 777 K CB -0.565 31.895 32.500 -0.067 0.000 0.713 777 K HN 0.524 nan 8.250 nan 0.000 0.442 778 A N 1.318 124.203 122.820 0.108 0.000 1.898 778 A HA -0.107 4.214 4.320 0.002 0.000 0.216 778 A C 2.112 179.981 177.584 0.474 0.000 1.181 778 A CA 1.139 53.389 52.037 0.355 0.000 0.620 778 A CB -0.561 18.646 19.000 0.347 0.000 0.819 778 A HN 0.143 nan 8.150 nan 0.000 0.442 779 L N -0.961 120.375 121.223 0.189 0.000 2.046 779 L HA -0.261 4.080 4.340 0.002 0.000 0.208 779 L C 2.888 179.943 176.870 0.309 0.000 1.077 779 L CA 1.642 56.618 54.840 0.226 0.000 0.747 779 L CB -0.625 41.446 42.059 0.020 0.000 0.896 779 L HN 0.464 nan 8.230 nan 0.000 0.432 780 Q N -0.257 119.674 119.800 0.217 0.000 2.050 780 Q HA -0.199 4.143 4.340 0.002 0.000 0.202 780 Q C 2.469 178.619 176.000 0.250 0.000 0.980 780 Q CA 1.736 57.649 55.803 0.184 0.000 0.840 780 Q CB -0.322 28.489 28.738 0.121 0.000 0.898 780 Q HN 0.557 nan 8.270 nan 0.000 0.424 781 A N 0.294 123.332 122.820 0.364 0.000 1.940 781 A HA -0.210 4.111 4.320 0.002 0.000 0.219 781 A C 1.862 179.740 177.584 0.490 0.000 1.176 781 A CA 1.271 53.598 52.037 0.484 0.000 0.631 781 A CB -0.747 18.659 19.000 0.677 0.000 0.814 781 A HN 0.464 nan 8.150 nan 0.000 0.446 782 F N 0.343 120.484 119.950 0.319 0.000 2.186 782 F HA -0.109 4.419 4.527 0.003 0.000 0.299 782 F C 2.360 178.150 175.800 -0.016 0.000 1.090 782 F CA 1.963 59.894 58.000 -0.115 0.000 1.307 782 F CB -0.333 38.704 39.000 0.061 0.000 1.019 782 F HN 0.302 nan 8.300 nan 0.000 0.489 783 Q N 1.109 120.936 119.800 0.046 0.000 2.096 783 Q HA -0.206 4.135 4.340 0.002 0.000 0.204 783 Q C 2.073 178.006 176.000 -0.112 0.000 0.982 783 Q CA 2.028 57.792 55.803 -0.065 0.000 0.850 783 Q CB -0.318 28.448 28.738 0.046 0.000 0.901 783 Q HN 0.387 nan 8.270 nan 0.000 0.422 784 K N -0.863 119.534 120.400 -0.005 0.000 2.097 784 K HA -0.142 4.179 4.320 0.002 0.000 0.206 784 K C 1.955 178.551 176.600 -0.007 0.000 1.049 784 K CA 1.182 57.479 56.287 0.017 0.000 0.933 784 K CB -0.397 32.162 32.500 0.099 0.000 0.717 784 K HN 0.216 nan 8.250 nan 0.000 0.442 785 F N 1.711 121.518 119.950 -0.238 0.000 2.095 785 F HA -0.124 4.404 4.527 0.002 0.000 0.298 785 F C 2.117 177.679 175.800 -0.396 0.000 1.104 785 F CA 1.764 59.563 58.000 -0.336 0.000 1.232 785 F CB -0.948 37.673 39.000 -0.631 0.000 0.987 785 F HN -0.006 nan 8.300 nan 0.000 0.475 786 G N 0.063 108.439 108.800 -0.706 0.000 2.418 786 G HA2 -0.304 3.657 3.960 0.002 0.000 0.217 786 G HA3 -0.304 3.657 3.960 0.002 0.000 0.217 786 G C 1.565 176.222 174.900 -0.405 0.000 1.158 786 G CA 0.901 45.596 45.100 -0.676 0.000 0.771 786 G HN 0.353 nan 8.290 nan 0.000 0.545 787 N N 0.554 119.092 118.700 -0.269 0.000 2.166 787 N HA -0.068 4.673 4.740 0.002 0.000 0.186 787 N C 2.010 177.427 175.510 -0.155 0.000 1.019 787 N CA 1.178 54.125 53.050 -0.171 0.000 0.856 787 N CB -0.228 38.196 38.487 -0.104 0.000 0.993 787 N HN 0.251 nan 8.380 nan 0.000 0.426 788 K N 1.186 121.497 120.400 -0.148 0.000 2.057 788 K HA 0.072 4.393 4.320 0.002 0.000 0.207 788 K C 1.899 178.411 176.600 -0.146 0.000 1.049 788 K CA 0.803 57.034 56.287 -0.093 0.000 0.931 788 K CB -0.402 32.095 32.500 -0.005 0.000 0.714 788 K HN 0.116 nan 8.250 nan 0.000 0.440 789 L N 0.447 121.505 121.223 -0.275 0.000 2.083 789 L HA -0.189 4.153 4.340 0.002 0.000 0.209 789 L C 2.250 178.993 176.870 -0.213 0.000 1.083 789 L CA 1.475 56.150 54.840 -0.276 0.000 0.752 789 L CB -0.351 41.444 42.059 -0.440 0.000 0.899 789 L HN 0.166 nan 8.230 nan 0.000 0.433 790 K N -0.111 120.162 120.400 -0.213 0.000 2.057 790 K HA -0.240 4.081 4.320 0.002 0.000 0.207 790 K C 2.045 178.556 176.600 -0.148 0.000 1.049 790 K CA 1.544 57.725 56.287 -0.178 0.000 0.931 790 K CB -0.187 32.217 32.500 -0.160 0.000 0.714 790 K HN 0.308 nan 8.250 nan 0.000 0.440 791 E N 1.353 121.482 120.200 -0.120 0.000 2.085 791 E HA -0.219 4.132 4.350 0.002 0.000 0.194 791 E C 1.985 178.532 176.600 -0.089 0.000 0.994 791 E CA 1.173 57.520 56.400 -0.089 0.000 0.801 791 E CB -0.054 29.609 29.700 -0.062 0.000 0.743 791 E HN 0.270 nan 8.360 nan 0.000 0.453 792 I N 0.945 121.462 120.570 -0.088 0.000 2.179 792 I HA -0.257 3.914 4.170 0.002 0.000 0.242 792 I C 2.690 178.728 176.117 -0.131 0.000 1.088 792 I CA 1.453 62.710 61.300 -0.071 0.000 1.357 792 I CB -0.343 37.635 38.000 -0.037 0.000 1.051 792 I HN 0.248 nan 8.210 nan 0.000 0.409 793 E N 1.119 121.201 120.200 -0.197 0.000 2.118 793 E HA -0.271 4.080 4.350 0.002 0.000 0.195 793 E C 1.998 178.381 176.600 -0.361 0.000 0.992 793 E CA 1.455 57.644 56.400 -0.352 0.000 0.804 793 E CB 0.057 29.544 29.700 -0.354 0.000 0.741 793 E HN 0.486 nan 8.360 nan 0.000 0.458 794 E N 0.329 120.397 120.200 -0.220 0.000 2.110 794 E HA -0.219 4.132 4.350 0.002 0.000 0.193 794 E C 2.064 178.588 176.600 -0.126 0.000 0.988 794 E CA 1.014 57.317 56.400 -0.162 0.000 0.804 794 E CB -0.049 29.586 29.700 -0.107 0.000 0.745 794 E HN 0.140 nan 8.360 nan 0.000 0.458 795 K N 0.979 121.318 120.400 -0.102 0.000 2.026 795 K HA -0.133 4.188 4.320 0.002 0.000 0.208 795 K C 2.107 178.685 176.600 -0.037 0.000 1.048 795 K CA 0.964 57.221 56.287 -0.050 0.000 0.929 795 K CB -0.008 32.478 32.500 -0.024 0.000 0.713 795 K HN 0.080 nan 8.250 nan 0.000 0.439 796 L N 0.539 121.713 121.223 -0.081 0.000 2.141 796 L HA -0.144 4.197 4.340 0.002 0.000 0.209 796 L C 2.356 179.250 176.870 0.040 0.000 1.094 796 L CA 0.565 55.408 54.840 0.006 0.000 0.763 796 L CB -0.436 41.635 42.059 0.020 0.000 0.908 796 L HN 0.028 nan 8.230 nan 0.000 0.437 797 V N 0.205 120.034 119.914 -0.141 0.000 2.287 797 V HA -0.298 3.824 4.120 0.002 0.000 0.248 797 V C 2.680 178.805 176.094 0.052 0.000 1.053 797 V CA 1.831 64.128 62.300 -0.006 0.000 1.027 797 V CB -0.632 31.135 31.823 -0.094 0.000 0.646 797 V HN 0.436 nan 8.190 nan 0.000 0.447 798 R N -0.391 120.117 120.500 0.014 0.000 2.105 798 R HA -0.146 4.196 4.340 0.002 0.000 0.239 798 R C 2.524 178.858 176.300 0.056 0.000 1.135 798 R CA 1.451 57.569 56.100 0.030 0.000 0.967 798 R CB -0.370 29.937 30.300 0.011 0.000 0.861 798 R HN 0.507 nan 8.270 nan 0.000 0.442 799 R N 0.337 120.880 120.500 0.073 0.000 2.073 799 R HA -0.060 4.281 4.340 0.002 0.000 0.234 799 R C 1.908 178.277 176.300 0.115 0.000 1.134 799 R CA 1.286 57.442 56.100 0.092 0.000 0.952 799 R CB -0.271 30.096 30.300 0.113 0.000 0.850 799 R HN 0.222 nan 8.270 nan 0.000 0.433 800 N N 0.598 119.391 118.700 0.154 0.000 2.381 800 N HA -0.087 4.655 4.740 0.002 0.000 0.182 800 N C 0.890 176.471 175.510 0.120 0.000 1.025 800 N CA 0.864 54.012 53.050 0.163 0.000 0.888 800 N CB -0.172 38.446 38.487 0.219 0.000 0.965 800 N HN 0.240 nan 8.380 nan 0.000 0.438 801 N N 0.824 119.583 118.700 0.099 0.000 2.398 801 N HA -0.068 4.673 4.740 0.002 0.000 0.188 801 N C -0.254 175.292 175.510 0.058 0.000 1.122 801 N CA 0.210 53.303 53.050 0.073 0.000 0.866 801 N CB 0.084 38.608 38.487 0.061 0.000 0.970 801 N HN 0.194 nan 8.380 nan 0.000 0.462 802 D N 1.587 122.024 120.400 0.061 0.000 2.336 802 D HA 0.115 4.756 4.640 0.002 0.000 0.249 802 D C -1.639 174.690 176.300 0.048 0.000 1.213 802 D CA -1.992 52.037 54.000 0.049 0.000 0.870 802 D CB 1.536 42.365 40.800 0.048 0.000 1.076 802 D HN 0.010 nan 8.370 nan 0.000 0.483 803 P HA -0.118 nan 4.420 nan 0.000 0.222 803 P C 1.173 178.494 177.300 0.035 0.000 1.147 803 P CA 0.815 63.938 63.100 0.038 0.000 0.790 803 P CB 0.092 31.811 31.700 0.031 0.000 0.780 804 S N -1.198 114.521 115.700 0.032 0.000 2.522 804 S HA 0.009 4.480 4.470 0.002 0.000 0.227 804 S C 1.474 176.091 174.600 0.030 0.000 0.986 804 S CA 0.593 58.810 58.200 0.028 0.000 0.929 804 S CB -1.141 62.074 63.200 0.024 0.000 0.769 804 S HN 0.136 nan 8.310 nan 0.000 0.529 805 L N 0.777 122.023 121.223 0.039 0.000 2.728 805 L HA 0.281 4.622 4.340 0.002 0.000 0.238 805 L C 2.569 179.470 176.870 0.052 0.000 1.143 805 L CA -0.113 54.754 54.840 0.043 0.000 0.937 805 L CB -0.216 41.876 42.059 0.055 0.000 1.225 805 L HN 0.272 nan 8.230 nan 0.000 0.507 806 Q N 1.451 121.282 119.800 0.051 0.000 2.096 806 Q HA -0.183 4.159 4.340 0.002 0.000 0.204 806 Q C 1.995 178.028 176.000 0.056 0.000 0.982 806 Q CA 2.150 57.989 55.803 0.059 0.000 0.850 806 Q CB -0.089 28.679 28.738 0.050 0.000 0.901 806 Q HN 0.531 nan 8.270 nan 0.000 0.422 807 G N 0.752 109.576 108.800 0.040 0.000 2.440 807 G HA2 -0.270 3.692 3.960 0.002 0.000 0.218 807 G HA3 -0.270 3.692 3.960 0.002 0.000 0.218 807 G C 1.298 176.216 174.900 0.031 0.000 1.154 807 G CA 1.031 46.150 45.100 0.032 0.000 0.767 807 G HN 0.369 nan 8.290 nan 0.000 0.552 808 N N -0.362 118.352 118.700 0.023 0.000 2.432 808 N HA 0.086 4.827 4.740 0.002 0.000 0.174 808 N C 2.209 177.749 175.510 0.050 0.000 1.037 808 N CA 0.140 53.197 53.050 0.011 0.000 0.892 808 N CB -0.054 38.416 38.487 -0.029 0.000 1.049 808 N HN 0.271 nan 8.380 nan 0.000 0.442 809 R N -0.253 120.296 120.500 0.081 0.000 2.161 809 R HA 0.180 4.521 4.340 0.002 0.000 0.213 809 R C 0.842 177.259 176.300 0.195 0.000 1.055 809 R CA 0.674 56.862 56.100 0.145 0.000 0.996 809 R CB 0.245 30.634 30.300 0.148 0.000 0.901 809 R HN 0.087 nan 8.270 nan 0.000 0.456 810 L N -1.576 119.736 121.223 0.147 0.000 2.586 810 L HA 0.314 4.655 4.340 0.002 0.000 0.204 810 L C 0.961 177.910 176.870 0.132 0.000 1.053 810 L CA 0.982 55.909 54.840 0.146 0.000 0.856 810 L CB -0.008 42.117 42.059 0.109 0.000 1.192 810 L HN 0.295 nan 8.230 nan 0.000 0.484 811 G N 0.422 109.284 108.800 0.102 0.000 2.804 811 G HA2 -0.222 3.739 3.960 0.002 0.000 0.230 811 G HA3 -0.222 3.739 3.960 0.002 0.000 0.230 811 G C -1.969 172.978 174.900 0.078 0.000 1.386 811 G CA -0.127 45.027 45.100 0.090 0.000 0.875 811 G HN 0.125 nan 8.290 nan 0.000 0.557 812 P HA -0.046 nan 4.420 nan 0.000 0.223 812 P C 1.962 179.296 177.300 0.058 0.000 1.151 812 P CA 2.143 65.276 63.100 0.054 0.000 0.787 812 P CB -0.307 31.419 31.700 0.042 0.000 0.788 813 V N -4.258 115.706 119.914 0.083 0.000 3.141 813 V HA -0.033 4.088 4.120 0.002 0.000 0.265 813 V C 0.785 176.910 176.094 0.052 0.000 1.126 813 V CA 0.603 62.948 62.300 0.075 0.000 1.141 813 V CB -1.444 30.443 31.823 0.105 0.000 0.743 813 V HN 0.020 nan 8.190 nan 0.000 0.492 814 Q N -0.544 119.294 119.800 0.064 0.000 2.463 814 Q HA -0.196 4.145 4.340 0.002 0.000 0.299 814 Q C -0.426 175.607 176.000 0.056 0.000 1.353 814 Q CA 0.924 56.762 55.803 0.058 0.000 0.828 814 Q CB -1.715 27.047 28.738 0.040 0.000 1.157 814 Q HN 0.677 nan 8.270 nan 0.000 0.436 815 L N 0.739 122.008 121.223 0.077 0.000 2.337 815 L HA 0.487 4.828 4.340 0.002 0.000 0.269 815 L C -2.402 174.571 176.870 0.171 0.000 1.018 815 L CA -1.813 53.060 54.840 0.055 0.000 0.876 815 L CB 1.338 43.356 42.059 -0.069 0.000 1.236 815 L HN -0.194 nan 8.230 nan 0.000 0.436 816 P HA -0.039 nan 4.420 nan 0.000 0.264 816 P C -1.332 176.131 177.300 0.272 0.000 1.193 816 P CA 0.275 63.493 63.100 0.197 0.000 0.763 816 P CB 0.027 31.803 31.700 0.127 0.000 0.810 817 Y N 3.639 124.033 120.300 0.157 0.000 2.680 817 Y HA 0.114 4.666 4.550 0.002 0.000 0.356 817 Y C 1.117 176.927 175.900 -0.149 0.000 1.122 817 Y CA 0.613 58.771 58.100 0.098 0.000 1.509 817 Y CB -0.198 38.346 38.460 0.140 0.000 1.245 817 Y HN 0.356 nan 8.280 nan 0.000 0.513 818 T N 1.571 115.624 114.554 -0.835 0.000 3.085 818 T HA 0.122 4.473 4.350 0.002 0.000 0.264 818 T C 1.420 175.494 174.700 -1.044 0.000 1.019 818 T CA -0.097 61.315 62.100 -1.146 0.000 0.910 818 T CB -0.238 67.911 68.868 -1.199 0.000 1.059 818 T HN 0.651 nan 8.240 nan 0.000 0.542 819 L N 0.210 120.637 121.223 -1.327 0.000 2.265 819 L HA 0.202 4.543 4.340 0.002 0.000 0.215 819 L C 1.733 178.383 176.870 -0.367 0.000 1.117 819 L CA 1.156 55.460 54.840 -0.894 0.000 0.782 819 L CB -0.193 41.353 42.059 -0.854 0.000 0.914 819 L HN 0.351 nan 8.230 nan 0.000 0.441 820 L N -1.514 119.564 121.223 -0.242 0.000 2.910 820 L HA 0.146 4.487 4.340 0.002 0.000 0.252 820 L C -0.277 176.681 176.870 0.148 0.000 1.195 820 L CA -0.596 54.271 54.840 0.046 0.000 1.003 820 L CB 0.156 42.324 42.059 0.182 0.000 1.328 820 L HN 0.008 nan 8.230 nan 0.000 0.540 821 Y N 1.069 121.288 120.300 -0.136 0.000 2.632 821 Y HA 0.045 4.596 4.550 0.002 0.000 0.329 821 Y C -1.248 174.575 175.900 -0.128 0.000 1.174 821 Y CA -2.461 55.567 58.100 -0.119 0.000 1.469 821 Y CB 0.020 38.394 38.460 -0.143 0.000 1.242 821 Y HN -0.036 nan 8.280 nan 0.000 0.540 822 P HA -0.108 nan 4.420 nan 0.000 0.217 822 P C -0.000 177.201 177.300 -0.165 0.000 1.150 822 P CA 1.492 64.552 63.100 -0.066 0.000 0.832 822 P CB 0.287 31.908 31.700 -0.131 0.000 0.787 823 S N -2.291 113.269 115.700 -0.234 0.000 2.638 823 S HA 0.700 5.172 4.470 0.002 0.000 0.298 823 S C -0.291 174.024 174.600 -0.475 0.000 1.111 823 S CA -0.516 57.408 58.200 -0.460 0.000 1.027 823 S CB 1.766 64.764 63.200 -0.337 0.000 1.064 823 S HN -0.057 nan 8.310 nan 0.000 0.525 824 S N 0.232 115.471 115.700 -0.767 0.000 2.552 824 S HA 0.418 4.890 4.470 0.002 0.000 0.272 824 S C -1.457 172.901 174.600 -0.404 0.000 1.150 824 S CA -0.681 57.226 58.200 -0.488 0.000 0.849 824 S CB 1.261 64.177 63.200 -0.473 0.000 1.113 824 S HN 0.773 nan 8.310 nan 0.000 0.458 825 E N 1.873 121.980 120.200 -0.154 0.000 2.376 825 E HA 0.216 4.568 4.350 0.002 0.000 0.254 825 E C 0.260 176.885 176.600 0.041 0.000 1.213 825 E CA -0.434 55.935 56.400 -0.052 0.000 0.945 825 E CB 0.331 30.026 29.700 -0.009 0.000 1.057 825 E HN 0.802 nan 8.360 nan 0.000 0.479 826 E N -0.437 119.814 120.200 0.085 0.000 2.408 826 E HA 0.381 4.733 4.350 0.002 0.000 0.259 826 E C 0.535 177.222 176.600 0.145 0.000 1.110 826 E CA -0.137 56.350 56.400 0.146 0.000 0.929 826 E CB 0.449 30.214 29.700 0.108 0.000 0.971 826 E HN 0.603 nan 8.360 nan 0.000 0.438 827 G N 0.995 109.900 108.800 0.176 0.000 2.396 827 G HA2 -0.176 3.785 3.960 0.002 0.000 0.254 827 G HA3 -0.176 3.785 3.960 0.002 0.000 0.254 827 G C -1.018 173.958 174.900 0.126 0.000 1.248 827 G CA -0.420 44.750 45.100 0.117 0.000 1.033 827 G HN 0.684 nan 8.290 nan 0.000 0.502 828 L N 2.216 123.499 121.223 0.100 0.000 2.449 828 L HA 0.499 4.840 4.340 0.002 0.000 0.255 828 L C 1.872 178.871 176.870 0.215 0.000 1.167 828 L CA 0.496 55.410 54.840 0.124 0.000 1.090 828 L CB 0.107 42.206 42.059 0.066 0.000 1.385 828 L HN 0.955 nan 8.230 nan 0.000 0.411 829 T N -0.775 113.895 114.554 0.193 0.000 3.001 829 T HA 0.038 4.389 4.350 0.002 0.000 0.251 829 T C 0.875 175.665 174.700 0.150 0.000 1.040 829 T CA -0.211 62.008 62.100 0.197 0.000 0.985 829 T CB -0.069 68.898 68.868 0.166 0.000 1.011 829 T HN 0.405 nan 8.240 nan 0.000 0.509 830 F N 2.597 122.465 119.950 -0.137 0.000 3.057 830 F HA -0.254 4.274 4.527 0.002 0.000 0.287 830 F C 0.164 175.820 175.800 -0.240 0.000 0.834 830 F CA 0.835 58.661 58.000 -0.290 0.000 1.147 830 F CB -1.351 37.212 39.000 -0.729 0.000 1.245 830 F HN 0.707 nan 8.300 nan 0.000 0.509 831 R N -0.247 120.156 120.500 -0.162 0.000 2.752 831 R HA 0.744 5.085 4.340 0.002 0.000 0.271 831 R C 0.109 176.362 176.300 -0.078 0.000 1.026 831 R CA -0.842 55.114 56.100 -0.241 0.000 0.901 831 R CB 1.345 31.487 30.300 -0.262 0.000 1.243 831 R HN 1.283 nan 8.270 nan 0.000 0.463 832 G N 0.812 109.545 108.800 -0.111 0.000 3.055 832 G HA2 -0.002 3.959 3.960 0.002 0.000 0.686 832 G HA3 -0.002 3.959 3.960 0.002 0.000 0.686 832 G C -0.891 173.993 174.900 -0.025 0.000 1.087 832 G CA -0.608 44.390 45.100 -0.169 0.000 0.779 832 G HN 0.536 nan 8.290 nan 0.000 0.599 833 I N 4.148 124.784 120.570 0.110 0.000 2.359 833 I HA 0.276 4.447 4.170 0.002 0.000 0.284 833 I C -2.065 174.185 176.117 0.222 0.000 1.018 833 I CA -2.234 59.163 61.300 0.162 0.000 1.173 833 I CB 2.117 40.194 38.000 0.129 0.000 1.326 833 I HN 0.194 nan 8.210 nan 0.000 0.462 834 P HA 0.145 nan 4.420 nan 0.000 0.272 834 P C 0.289 177.645 177.300 0.094 0.000 1.240 834 P CA -0.280 62.789 63.100 -0.052 0.000 0.791 834 P CB 0.695 32.410 31.700 0.027 0.000 0.978 835 N N -0.850 117.870 118.700 0.033 0.000 2.309 835 N HA -0.052 4.690 4.740 0.002 0.000 0.182 835 N C 0.626 176.275 175.510 0.232 0.000 1.018 835 N CA 1.008 54.136 53.050 0.130 0.000 0.876 835 N CB -0.143 38.255 38.487 -0.149 0.000 0.972 835 N HN 0.518 nan 8.380 nan 0.000 0.434 836 S N -1.161 114.614 115.700 0.125 0.000 2.732 836 S HA 0.536 5.008 4.470 0.002 0.000 0.293 836 S C -0.300 174.310 174.600 0.017 0.000 1.159 836 S CA -0.854 57.414 58.200 0.114 0.000 0.847 836 S CB 1.244 64.494 63.200 0.083 0.000 1.169 836 S HN -0.009 nan 8.310 nan 0.000 0.501 837 I N 2.926 123.407 120.570 -0.148 0.000 2.243 837 I HA 0.168 4.339 4.170 0.002 0.000 0.297 837 I C 1.003 176.969 176.117 -0.252 0.000 1.161 837 I CA -0.190 60.758 61.300 -0.587 0.000 1.298 837 I CB 0.348 37.887 38.000 -0.768 0.000 1.475 837 I HN 0.803 nan 8.210 nan 0.000 0.561 838 S N 4.638 120.313 115.700 -0.041 0.000 2.539 838 S HA 0.379 4.850 4.470 0.002 0.000 0.221 838 S C 0.152 174.859 174.600 0.179 0.000 0.987 838 S CA -0.255 58.005 58.200 0.099 0.000 0.929 838 S CB 0.260 63.541 63.200 0.134 0.000 0.832 838 S HN 0.456 nan 8.310 nan 0.000 0.492 839 I N 0.000 120.706 120.570 0.227 0.000 2.984 839 I HA 0.000 4.171 4.170 0.002 0.000 0.288 839 I CA 0.000 61.474 61.300 0.290 0.000 1.566 839 I CB 0.000 38.152 38.000 0.253 0.000 1.214 839 I HN 0.000 nan 8.210 nan 0.000 0.494