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 2q01_1_A DATA FIRST_RESID 3 DATA SEQUENCE RPLSFHEDRL FPSDPATRSY ARGLYALVKD LPIISPHGHT DPSWFATNAP DATA SEQUENCE FQDATDLLLA PDHYLFRMLY SQGVSLDALK VRSKAGVPDT DPREAWRVFA DATA SEQUENCE SHFYLFRGTP SWVWLNHVFS QVFGFTEFLE ASNADDYFDR ITAALATDAF DATA SEQUENCE RPRALFDRFN IETLATTEGP HESLQHHAAI RESGWGGHVI TAYRPDAVID DATA SEQUENCE FEDERSPRAF ERFAETSGQD VYSWKSYLEA HRLRRQAFID AGATSSDHGH DATA SEQUENCE PTAATADLSD VEAEALFNSL VKGDVTPEKA ELFRAQMLTE MAKMSLDDGL DATA SEQUENCE VMQIHPGSHR NHNVGLLNSH GRDKGADIPM RTEYVDALKP LLTRLGNDPR DATA SEQUENCE LSIILFTLDE TTYSRELAPL AGHYPVLKLG PSWWFHDSPE GMMRFREQVT DATA SEQUENCE ETAGFYNTVG FNDDTRAFLS IPARHDVARR VDSAFLARMV AEHRMDLVEA DATA SEQUENCE EELIVDLTYN LPKKAYKLDQ RPDWARPAT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 R HA 0.000 nan 4.340 nan 0.000 0.208 3 R C 0.000 176.409 176.300 0.181 0.000 0.893 3 R CA 0.000 56.172 56.100 0.120 0.000 0.921 3 R CB 0.000 30.361 30.300 0.101 0.000 0.687 4 P HA 0.128 nan 4.420 nan 0.000 0.277 4 P C -0.508 176.964 177.300 0.287 0.000 1.240 4 P CA -0.495 62.724 63.100 0.198 0.000 0.798 4 P CB 0.953 32.743 31.700 0.150 0.000 0.979 5 L N 2.250 123.661 121.223 0.313 0.000 2.375 5 L HA 0.125 4.463 4.340 -0.003 0.000 0.276 5 L C 0.265 177.331 176.870 0.326 0.000 1.162 5 L CA -0.259 54.812 54.840 0.385 0.000 0.991 5 L CB -0.255 41.988 42.059 0.306 0.000 1.315 5 L HN 0.414 nan 8.230 nan 0.000 0.431 6 S N 2.825 118.730 115.700 0.341 0.000 2.416 6 S HA 0.297 4.765 4.470 -0.003 0.000 0.287 6 S C -0.588 174.276 174.600 0.441 0.000 1.139 6 S CA -0.522 57.868 58.200 0.316 0.000 1.058 6 S CB 0.640 63.993 63.200 0.255 0.000 0.967 6 S HN 0.404 nan 8.310 nan 0.000 0.495 7 F N 3.645 123.702 119.950 0.178 0.000 2.359 7 F HA 0.331 4.856 4.527 -0.003 0.000 0.370 7 F C 0.266 176.156 175.800 0.150 0.000 1.077 7 F CA -1.248 56.857 58.000 0.174 0.000 1.136 7 F CB 0.548 39.616 39.000 0.115 0.000 1.387 7 F HN 0.817 nan 8.300 nan 0.000 0.468 8 H N 2.755 121.773 119.070 -0.086 0.000 2.848 8 H HA 0.080 4.634 4.556 -0.003 0.000 0.341 8 H C 1.382 176.608 175.328 -0.170 0.000 1.060 8 H CA 0.730 56.728 56.048 -0.083 0.000 1.444 8 H CB 1.057 30.779 29.762 -0.067 0.000 1.446 8 H HN 0.734 nan 8.280 nan 0.000 0.583 9 E N 1.690 121.813 120.200 -0.128 0.000 2.418 9 E HA -0.142 4.206 4.350 -0.003 0.000 0.197 9 E C -0.053 176.572 176.600 0.042 0.000 1.026 9 E CA 1.161 57.549 56.400 -0.020 0.000 0.862 9 E CB 0.086 29.778 29.700 -0.012 0.000 0.799 9 E HN 0.765 nan 8.360 nan 0.000 0.518 10 D N 0.827 121.346 120.400 0.200 0.000 2.788 10 D HA 0.038 4.676 4.640 -0.003 0.000 0.289 10 D C -0.193 175.853 176.300 -0.422 0.000 1.340 10 D CA -0.688 53.279 54.000 -0.054 0.000 0.831 10 D CB 0.035 41.022 40.800 0.311 0.000 1.103 10 D HN 0.153 nan 8.370 nan 0.000 0.476 11 R N 0.846 121.068 120.500 -0.462 0.000 2.623 11 R HA 0.283 4.621 4.340 -0.003 0.000 0.271 11 R C 0.274 176.193 176.300 -0.636 0.000 1.043 11 R CA -0.339 55.486 56.100 -0.457 0.000 1.083 11 R CB 0.495 30.537 30.300 -0.430 0.000 0.974 11 R HN 0.230 nan 8.270 nan 0.000 0.436 12 L N -1.577 119.426 121.223 -0.367 0.000 5.060 12 L HA -0.253 4.086 4.340 -0.003 0.000 0.408 12 L C -0.371 176.459 176.870 -0.067 0.000 0.917 12 L CA 0.600 55.303 54.840 -0.228 0.000 1.627 12 L CB -1.528 40.403 42.059 -0.213 0.000 1.732 12 L HN 0.547 nan 8.230 nan 0.000 0.611 13 F N 1.144 121.050 119.950 -0.073 0.000 2.382 13 F HA 0.507 5.033 4.527 -0.002 0.000 0.331 13 F C -1.258 174.522 175.800 -0.035 0.000 1.121 13 F CA -3.065 54.909 58.000 -0.043 0.000 1.183 13 F CB -0.609 38.368 39.000 -0.038 0.000 1.207 13 F HN -0.291 nan 8.300 nan 0.000 0.555 14 P HA 0.045 nan 4.420 nan 0.000 0.269 14 P C 0.695 178.034 177.300 0.066 0.000 1.215 14 P CA 0.052 63.206 63.100 0.089 0.000 0.780 14 P CB 0.715 32.456 31.700 0.069 0.000 0.898 15 S N 0.753 116.468 115.700 0.025 0.000 2.399 15 S HA -0.155 4.314 4.470 -0.003 0.000 0.231 15 S C 0.651 175.257 174.600 0.011 0.000 1.022 15 S CA 0.744 58.947 58.200 0.006 0.000 0.983 15 S CB -0.980 62.212 63.200 -0.013 0.000 0.803 15 S HN 0.635 nan 8.310 nan 0.000 0.480 16 D N 1.486 121.895 120.400 0.015 0.000 2.426 16 D HA 0.094 4.732 4.640 -0.003 0.000 0.261 16 D C -1.536 174.770 176.300 0.010 0.000 1.245 16 D CA -1.362 52.644 54.000 0.011 0.000 0.917 16 D CB 1.089 41.896 40.800 0.011 0.000 1.123 16 D HN 0.147 nan 8.370 nan 0.000 0.508 17 P HA -0.174 nan 4.420 nan 0.000 0.216 17 P C 0.793 178.069 177.300 -0.040 0.000 1.150 17 P CA 1.356 64.450 63.100 -0.010 0.000 0.837 17 P CB 0.159 31.852 31.700 -0.011 0.000 0.786 18 A N -1.003 121.794 122.820 -0.039 0.000 1.854 18 A HA -0.133 4.185 4.320 -0.003 0.000 0.214 18 A C 2.240 179.793 177.584 -0.052 0.000 1.192 18 A CA 2.234 54.221 52.037 -0.084 0.000 0.611 18 A CB -1.808 17.180 19.000 -0.021 0.000 0.832 18 A HN 0.132 nan 8.150 nan 0.000 0.442 19 T N -0.508 114.079 114.554 0.055 0.000 2.720 19 T HA -0.181 4.168 4.350 -0.003 0.000 0.268 19 T C 2.057 176.783 174.700 0.044 0.000 1.037 19 T CA 1.658 63.825 62.100 0.112 0.000 1.144 19 T CB -0.263 68.635 68.868 0.051 0.000 0.864 19 T HN 0.548 nan 8.240 nan 0.000 0.444 20 R N 0.679 121.180 120.500 0.002 0.000 2.091 20 R HA -0.102 4.236 4.340 -0.003 0.000 0.238 20 R C 2.759 178.998 176.300 -0.101 0.000 1.136 20 R CA 1.708 57.796 56.100 -0.019 0.000 0.959 20 R CB -0.504 29.827 30.300 0.051 0.000 0.856 20 R HN 0.297 nan 8.270 nan 0.000 0.437 21 S N -0.722 114.908 115.700 -0.116 0.000 2.382 21 S HA -0.152 4.316 4.470 -0.003 0.000 0.228 21 S C 1.720 176.206 174.600 -0.190 0.000 1.027 21 S CA 1.087 59.184 58.200 -0.172 0.000 0.991 21 S CB -0.290 62.762 63.200 -0.246 0.000 0.823 21 S HN 0.518 nan 8.310 nan 0.000 0.469 22 Y N 1.363 121.598 120.300 -0.108 0.000 2.163 22 Y HA -0.062 4.487 4.550 -0.003 0.000 0.288 22 Y C 2.821 178.609 175.900 -0.187 0.000 1.136 22 Y CA 0.790 58.819 58.100 -0.118 0.000 1.147 22 Y CB -0.565 37.832 38.460 -0.105 0.000 0.987 22 Y HN 0.382 nan 8.280 nan 0.000 0.509 23 A N 0.379 123.118 122.820 -0.134 0.000 1.883 23 A HA -0.265 4.053 4.320 -0.003 0.000 0.217 23 A C 2.198 179.396 177.584 -0.644 0.000 1.186 23 A CA 1.968 53.728 52.037 -0.462 0.000 0.624 23 A CB -0.736 17.811 19.000 -0.755 0.000 0.822 23 A HN 0.412 nan 8.150 nan 0.000 0.444 24 R N -0.960 119.204 120.500 -0.561 0.000 2.096 24 R HA -0.115 4.224 4.340 -0.003 0.000 0.235 24 R C 2.273 178.567 176.300 -0.010 0.000 1.127 24 R CA 1.283 57.246 56.100 -0.228 0.000 0.968 24 R CB -0.511 29.772 30.300 -0.028 0.000 0.861 24 R HN 0.530 nan 8.270 nan 0.000 0.440 25 G N 0.396 109.174 108.800 -0.035 0.000 2.403 25 G HA2 -0.172 3.786 3.960 -0.003 0.000 0.216 25 G HA3 -0.172 3.786 3.960 -0.003 0.000 0.216 25 G C 1.407 176.318 174.900 0.018 0.000 1.154 25 G CA 0.202 45.307 45.100 0.009 0.000 0.784 25 G HN 0.184 nan 8.290 nan 0.000 0.538 26 L N -0.987 120.243 121.223 0.011 0.000 2.072 26 L HA 0.016 4.354 4.340 -0.003 0.000 0.205 26 L C 2.557 179.473 176.870 0.075 0.000 1.079 26 L CA 0.946 55.801 54.840 0.025 0.000 0.752 26 L CB -0.477 41.587 42.059 0.008 0.000 0.906 26 L HN 0.268 nan 8.230 nan 0.000 0.436 27 Y N 1.025 121.312 120.300 -0.023 0.000 2.274 27 Y HA -0.201 4.347 4.550 -0.002 0.000 0.290 27 Y C 2.408 178.357 175.900 0.082 0.000 1.145 27 Y CA 0.885 59.031 58.100 0.077 0.000 1.203 27 Y CB -0.253 38.338 38.460 0.218 0.000 0.984 27 Y HN 0.092 nan 8.280 nan 0.000 0.533 28 A N -0.162 122.622 122.820 -0.060 0.000 1.972 28 A HA -0.148 4.170 4.320 -0.003 0.000 0.219 28 A C 1.998 179.506 177.584 -0.127 0.000 1.169 28 A CA 1.574 53.534 52.037 -0.128 0.000 0.635 28 A CB -1.014 17.976 19.000 -0.018 0.000 0.810 28 A HN 0.462 nan 8.150 nan 0.000 0.446 29 L N -1.477 119.701 121.223 -0.076 0.000 2.551 29 L HA 0.062 4.400 4.340 -0.003 0.000 0.228 29 L C 1.641 178.467 176.870 -0.074 0.000 1.153 29 L CA 1.040 55.845 54.840 -0.058 0.000 0.851 29 L CB 0.476 42.519 42.059 -0.025 0.000 0.959 29 L HN 0.192 nan 8.230 nan 0.000 0.451 30 V N -2.150 117.697 119.914 -0.111 0.000 3.264 30 V HA -0.061 4.057 4.120 -0.003 0.000 0.262 30 V C 1.903 177.928 176.094 -0.116 0.000 1.616 30 V CA 0.523 62.779 62.300 -0.072 0.000 1.033 30 V CB 0.490 32.322 31.823 0.015 0.000 0.865 30 V HN 0.449 nan 8.190 nan 0.000 0.420 31 K N 0.077 120.290 120.400 -0.312 0.000 2.152 31 K HA -0.148 4.171 4.320 -0.003 0.000 0.206 31 K C 0.798 177.327 176.600 -0.119 0.000 1.048 31 K CA 2.110 58.188 56.287 -0.350 0.000 0.933 31 K CB -0.089 31.947 32.500 -0.774 0.000 0.721 31 K HN 0.332 nan 8.250 nan 0.000 0.447 32 D N 0.571 120.906 120.400 -0.109 0.000 2.402 32 D HA 0.176 4.814 4.640 -0.003 0.000 0.216 32 D C 0.091 176.357 176.300 -0.056 0.000 1.128 32 D CA -0.123 53.841 54.000 -0.059 0.000 0.833 32 D CB 0.284 41.048 40.800 -0.059 0.000 0.971 32 D HN 0.146 nan 8.370 nan 0.000 0.503 33 L N 1.835 123.022 121.223 -0.059 0.000 2.467 33 L HA 0.154 4.492 4.340 -0.003 0.000 0.270 33 L C -1.939 174.930 176.870 -0.003 0.000 1.205 33 L CA -1.282 53.514 54.840 -0.072 0.000 0.828 33 L CB 0.102 42.124 42.059 -0.061 0.000 1.101 33 L HN -0.268 nan 8.230 nan 0.000 0.479 34 P HA 0.150 nan 4.420 nan 0.000 0.271 34 P C -0.522 176.836 177.300 0.097 0.000 1.218 34 P CA -0.184 62.956 63.100 0.067 0.000 0.780 34 P CB 0.520 32.291 31.700 0.118 0.000 0.901 35 I N 3.044 123.587 120.570 -0.045 0.000 2.452 35 I HA 0.109 4.277 4.170 -0.003 0.000 0.287 35 I C 0.487 176.515 176.117 -0.148 0.000 1.079 35 I CA 0.136 61.314 61.300 -0.203 0.000 1.387 35 I CB 0.007 37.734 38.000 -0.454 0.000 1.404 35 I HN 0.136 nan 8.210 nan 0.000 0.522 36 I N 5.958 126.493 120.570 -0.059 0.000 2.312 36 I HA 0.142 4.310 4.170 -0.003 0.000 0.290 36 I C 0.304 176.442 176.117 0.035 0.000 1.008 36 I CA 0.077 61.362 61.300 -0.025 0.000 1.226 36 I CB 1.377 39.356 38.000 -0.034 0.000 1.371 36 I HN 0.454 nan 8.210 nan 0.000 0.468 37 S N 8.387 124.070 115.700 -0.028 0.000 2.328 37 S HA 0.400 4.868 4.470 -0.003 0.000 0.204 37 S C -1.643 172.901 174.600 -0.093 0.000 1.475 37 S CA -1.397 56.806 58.200 0.004 0.000 1.148 37 S CB 0.465 63.672 63.200 0.012 0.000 1.077 37 S HN 0.421 nan 8.310 nan 0.000 0.479 38 P HA 0.066 nan 4.420 nan 0.000 0.249 38 P C -0.287 176.834 177.300 -0.299 0.000 1.229 38 P CA 0.472 63.285 63.100 -0.478 0.000 0.788 38 P CB -0.147 30.795 31.700 -1.265 0.000 1.072 39 H N -0.715 118.188 119.070 -0.278 0.000 3.128 39 H HA 0.515 5.069 4.556 -0.003 0.000 0.336 39 H C -1.251 173.942 175.328 -0.225 0.000 1.026 39 H CA -0.337 55.572 56.048 -0.232 0.000 1.376 39 H CB 1.696 31.338 29.762 -0.199 0.000 1.882 39 H HN 0.047 nan 8.280 nan 0.000 0.479 40 G N 2.268 110.676 108.800 -0.655 0.000 2.649 40 G HA2 0.216 4.174 3.960 -0.003 0.000 0.290 40 G HA3 0.216 4.174 3.960 -0.003 0.000 0.290 40 G C -1.184 173.315 174.900 -0.668 0.000 1.426 40 G CA -0.535 44.263 45.100 -0.504 0.000 0.794 40 G HN 0.689 nan 8.290 nan 0.000 0.483 41 H N 0.496 119.453 119.070 -0.189 0.000 2.562 41 H HA 0.214 4.769 4.556 -0.003 0.000 0.249 41 H C 0.652 175.923 175.328 -0.095 0.000 1.195 41 H CA 0.290 56.248 56.048 -0.150 0.000 0.938 41 H CB 0.434 30.107 29.762 -0.148 0.000 1.891 41 H HN 0.626 nan 8.280 nan 0.000 0.595 42 T N -1.488 113.080 114.554 0.022 0.000 2.899 42 T HA 0.078 4.426 4.350 -0.003 0.000 0.295 42 T C 0.353 174.844 174.700 -0.348 0.000 1.033 42 T CA -0.746 61.342 62.100 -0.021 0.000 1.084 42 T CB 1.981 71.049 68.868 0.334 0.000 0.979 42 T HN 0.022 nan 8.240 nan 0.000 0.532 43 D N 2.496 122.267 120.400 -1.049 0.000 2.295 43 D HA 0.274 4.913 4.640 -0.003 0.000 0.248 43 D C -1.099 174.778 176.300 -0.705 0.000 1.154 43 D CA -2.432 50.924 54.000 -1.073 0.000 0.857 43 D CB 1.536 41.232 40.800 -1.841 0.000 1.117 43 D HN 0.280 nan 8.370 nan 0.000 0.468 44 P HA -0.113 nan 4.420 nan 0.000 0.226 44 P C 1.040 178.142 177.300 -0.331 0.000 1.153 44 P CA 0.592 63.524 63.100 -0.280 0.000 0.777 44 P CB 0.186 31.575 31.700 -0.518 0.000 0.794 45 S N -2.245 113.077 115.700 -0.630 0.000 2.447 45 S HA -0.115 4.354 4.470 -0.003 0.000 0.233 45 S C 1.805 176.174 174.600 -0.385 0.000 1.006 45 S CA 0.229 57.990 58.200 -0.732 0.000 0.957 45 S CB -1.303 61.234 63.200 -1.105 0.000 0.773 45 S HN 0.044 nan 8.310 nan 0.000 0.507 46 W N 1.584 122.560 121.300 -0.539 0.000 2.338 46 W HA 0.073 4.732 4.660 -0.003 0.000 0.304 46 W C 1.829 177.867 176.519 -0.803 0.000 1.212 46 W CA 0.236 57.136 57.345 -0.743 0.000 1.264 46 W CB -1.398 27.478 29.460 -0.974 0.000 1.142 46 W HN 0.393 nan 8.180 nan 0.000 0.512 47 F N -0.498 119.349 119.950 -0.173 0.000 2.569 47 F HA 0.159 4.684 4.527 -0.003 0.000 0.295 47 F C 2.386 177.974 175.800 -0.354 0.000 1.115 47 F CA 0.879 58.651 58.000 -0.381 0.000 1.450 47 F CB -1.152 37.612 39.000 -0.392 0.000 1.107 47 F HN -0.198 nan 8.300 nan 0.000 0.563 48 A N 0.565 123.330 122.820 -0.091 0.000 1.854 48 A HA -0.150 4.169 4.320 -0.003 0.000 0.214 48 A C 2.312 179.836 177.584 -0.101 0.000 1.192 48 A CA 2.213 54.208 52.037 -0.071 0.000 0.611 48 A CB -1.336 17.659 19.000 -0.009 0.000 0.832 48 A HN 0.366 nan 8.150 nan 0.000 0.442 49 T N -3.742 110.731 114.554 -0.134 0.000 2.942 49 T HA -0.038 4.310 4.350 -0.003 0.000 0.265 49 T C 0.957 175.550 174.700 -0.178 0.000 1.062 49 T CA 1.038 63.059 62.100 -0.131 0.000 1.139 49 T CB -0.402 68.390 68.868 -0.128 0.000 0.883 49 T HN 0.450 nan 8.240 nan 0.000 0.468 50 N N 1.328 119.879 118.700 -0.248 0.000 2.735 50 N HA -0.148 4.591 4.740 -0.003 0.000 0.248 50 N C -0.155 175.185 175.510 -0.283 0.000 1.083 50 N CA 0.579 53.448 53.050 -0.301 0.000 0.703 50 N CB -1.579 36.734 38.487 -0.290 0.000 1.005 50 N HN 0.965 nan 8.380 nan 0.000 0.550 51 A N -0.046 122.596 122.820 -0.297 0.000 2.371 51 A HA 0.576 4.894 4.320 -0.003 0.000 0.257 51 A C -1.854 175.472 177.584 -0.430 0.000 1.089 51 A CA -0.805 51.062 52.037 -0.284 0.000 0.794 51 A CB 0.344 19.209 19.000 -0.225 0.000 1.029 51 A HN 0.262 nan 8.150 nan 0.000 0.488 52 P HA 0.314 nan 4.420 nan 0.000 0.272 52 P C -0.739 176.286 177.300 -0.458 0.000 1.240 52 P CA -0.089 62.802 63.100 -0.349 0.000 0.791 52 P CB 0.231 31.840 31.700 -0.153 0.000 0.978 53 F N -0.325 119.525 119.950 -0.167 0.000 2.375 53 F HA 0.195 4.721 4.527 -0.002 0.000 0.333 53 F C 2.042 177.765 175.800 -0.127 0.000 1.104 53 F CA 0.148 58.043 58.000 -0.176 0.000 1.149 53 F CB 0.569 39.446 39.000 -0.204 0.000 1.190 53 F HN 0.403 nan 8.300 nan 0.000 0.533 54 Q N 0.528 120.374 119.800 0.077 0.000 1.967 54 Q HA 0.094 4.432 4.340 -0.003 0.000 0.196 54 Q C -0.488 175.477 176.000 -0.059 0.000 0.978 54 Q CA 0.588 56.392 55.803 0.001 0.000 0.833 54 Q CB -0.071 28.674 28.738 0.012 0.000 0.898 54 Q HN 0.470 nan 8.270 nan 0.000 0.446 55 D N -0.305 120.064 120.400 -0.052 0.000 2.494 55 D HA 0.396 5.035 4.640 -0.003 0.000 0.259 55 D C 0.539 176.692 176.300 -0.245 0.000 1.109 55 D CA -0.021 53.880 54.000 -0.165 0.000 1.040 55 D CB 1.082 41.907 40.800 0.042 0.000 1.175 55 D HN 0.274 nan 8.370 nan 0.000 0.584 56 A N -0.247 122.284 122.820 -0.481 0.000 1.929 56 A HA -0.096 4.223 4.320 -0.003 0.000 0.216 56 A C 1.961 179.536 177.584 -0.015 0.000 1.176 56 A CA 1.542 53.310 52.037 -0.448 0.000 0.628 56 A CB -0.721 17.627 19.000 -1.086 0.000 0.816 56 A HN 0.536 nan 8.150 nan 0.000 0.444 57 T N 0.013 114.685 114.554 0.197 0.000 2.737 57 T HA -0.105 4.243 4.350 -0.003 0.000 0.265 57 T C 1.449 176.243 174.700 0.158 0.000 1.038 57 T CA 1.679 63.951 62.100 0.286 0.000 1.144 57 T CB -0.407 68.657 68.868 0.326 0.000 0.866 57 T HN 0.451 nan 8.240 nan 0.000 0.434 58 D N 0.314 120.783 120.400 0.115 0.000 2.264 58 D HA 0.024 4.662 4.640 -0.003 0.000 0.208 58 D C 1.725 178.062 176.300 0.061 0.000 0.966 58 D CA 0.285 54.344 54.000 0.099 0.000 0.864 58 D CB -0.033 40.827 40.800 0.101 0.000 0.933 58 D HN 0.199 nan 8.370 nan 0.000 0.499 59 L N -0.919 120.299 121.223 -0.008 0.000 2.286 59 L HA 0.107 4.445 4.340 -0.003 0.000 0.203 59 L C 1.310 178.130 176.870 -0.083 0.000 1.068 59 L CA 0.883 55.636 54.840 -0.144 0.000 0.811 59 L CB 0.107 42.014 42.059 -0.252 0.000 0.989 59 L HN -0.072 nan 8.230 nan 0.000 0.467 60 L N -1.343 119.884 121.223 0.007 0.000 2.349 60 L HA 0.174 4.512 4.340 -0.003 0.000 0.200 60 L C 1.971 178.828 176.870 -0.022 0.000 1.064 60 L CA 1.131 55.984 54.840 0.022 0.000 0.821 60 L CB -0.965 41.185 42.059 0.153 0.000 1.027 60 L HN 0.288 nan 8.230 nan 0.000 0.476 61 L N -0.366 120.864 121.223 0.011 0.000 2.121 61 L HA 0.224 4.562 4.340 -0.003 0.000 0.200 61 L C 2.414 179.353 176.870 0.114 0.000 1.077 61 L CA 1.848 56.640 54.840 -0.081 0.000 0.766 61 L CB -0.982 41.020 42.059 -0.095 0.000 0.931 61 L HN 0.105 nan 8.230 nan 0.000 0.452 62 A N 0.668 123.575 122.820 0.145 0.000 1.933 62 A HA -0.055 4.264 4.320 -0.003 0.000 0.218 62 A C -0.177 177.570 177.584 0.271 0.000 1.175 62 A CA 1.871 54.011 52.037 0.171 0.000 0.628 62 A CB -2.123 16.943 19.000 0.111 0.000 0.814 62 A HN 0.569 nan 8.150 nan 0.000 0.444 63 P HA 0.045 nan 4.420 nan 0.000 0.235 63 P C -0.389 177.088 177.300 0.295 0.000 1.177 63 P CA 0.653 63.918 63.100 0.274 0.000 0.785 63 P CB -0.160 31.672 31.700 0.221 0.000 0.885 64 D N 0.263 120.792 120.400 0.215 0.000 2.347 64 D HA 0.037 4.676 4.640 -0.003 0.000 0.235 64 D C 1.271 177.484 176.300 -0.146 0.000 1.149 64 D CA -0.343 53.689 54.000 0.053 0.000 0.850 64 D CB 0.349 41.143 40.800 -0.010 0.000 1.061 64 D HN 0.224 nan 8.370 nan 0.000 0.487 65 H N 2.096 120.994 119.070 -0.287 0.000 2.495 65 H HA -0.060 4.494 4.556 -0.003 0.000 0.287 65 H C 0.963 175.953 175.328 -0.564 0.000 1.033 65 H CA 1.047 56.517 56.048 -0.964 0.000 1.307 65 H CB -0.375 29.048 29.762 -0.565 0.000 1.401 65 H HN 0.400 nan 8.280 nan 0.000 0.555 66 Y N 1.040 121.028 120.300 -0.520 0.000 2.165 66 Y HA -0.145 4.404 4.550 -0.003 0.000 0.286 66 Y C 2.346 178.302 175.900 0.094 0.000 1.155 66 Y CA 1.413 59.442 58.100 -0.118 0.000 1.164 66 Y CB -0.278 38.170 38.460 -0.020 0.000 0.978 66 Y HN 0.212 nan 8.280 nan 0.000 0.513 67 L N -1.233 120.105 121.223 0.192 0.000 2.023 67 L HA -0.160 4.179 4.340 -0.003 0.000 0.205 67 L C 2.364 179.488 176.870 0.423 0.000 1.073 67 L CA 1.565 56.606 54.840 0.334 0.000 0.745 67 L CB -0.898 41.181 42.059 0.034 0.000 0.900 67 L HN 0.319 nan 8.230 nan 0.000 0.435 68 F N -0.635 119.474 119.950 0.265 0.000 2.502 68 F HA 0.025 4.550 4.527 -0.003 0.000 0.298 68 F C 2.455 178.387 175.800 0.221 0.000 1.111 68 F CA 0.302 58.435 58.000 0.221 0.000 1.445 68 F CB -0.583 38.498 39.000 0.135 0.000 1.081 68 F HN -0.187 nan 8.300 nan 0.000 0.558 69 R N 0.250 120.808 120.500 0.096 0.000 2.097 69 R HA -0.172 4.167 4.340 -0.003 0.000 0.236 69 R C 2.324 178.748 176.300 0.206 0.000 1.135 69 R CA 2.188 58.387 56.100 0.164 0.000 0.934 69 R CB -0.472 29.887 30.300 0.098 0.000 0.846 69 R HN 0.279 nan 8.270 nan 0.000 0.431 70 M N 0.207 119.909 119.600 0.170 0.000 2.108 70 M HA -0.179 4.299 4.480 -0.003 0.000 0.261 70 M C 2.277 178.584 176.300 0.013 0.000 1.066 70 M CA 1.593 56.899 55.300 0.010 0.000 1.107 70 M CB -0.687 31.747 32.600 -0.276 0.000 1.356 70 M HN 0.119 nan 8.290 nan 0.000 0.406 71 L N -1.708 119.604 121.223 0.147 0.000 2.044 71 L HA -0.199 4.139 4.340 -0.003 0.000 0.205 71 L C 2.390 179.312 176.870 0.087 0.000 1.075 71 L CA 1.393 56.286 54.840 0.089 0.000 0.747 71 L CB -1.094 41.071 42.059 0.176 0.000 0.903 71 L HN 0.205 nan 8.230 nan 0.000 0.435 72 Y N 0.024 120.371 120.300 0.078 0.000 2.207 72 Y HA -0.319 4.230 4.550 -0.002 0.000 0.287 72 Y C 2.883 178.797 175.900 0.024 0.000 1.156 72 Y CA 1.559 59.693 58.100 0.057 0.000 1.182 72 Y CB -0.344 38.181 38.460 0.108 0.000 0.979 72 Y HN 0.308 nan 8.280 nan 0.000 0.521 73 S N -0.809 114.954 115.700 0.104 0.000 2.440 73 S HA -0.188 4.281 4.470 -0.003 0.000 0.238 73 S C 1.588 176.144 174.600 -0.073 0.000 1.010 73 S CA 1.419 59.621 58.200 0.005 0.000 0.972 73 S CB -0.252 62.964 63.200 0.028 0.000 0.774 73 S HN 0.606 nan 8.310 nan 0.000 0.501 74 Q N -0.267 119.483 119.800 -0.082 0.000 2.281 74 Q HA 0.303 4.642 4.340 -0.003 0.000 0.215 74 Q C 1.268 177.217 176.000 -0.085 0.000 0.867 74 Q CA 0.720 56.479 55.803 -0.073 0.000 0.940 74 Q CB 1.037 29.741 28.738 -0.056 0.000 1.111 74 Q HN 0.775 nan 8.270 nan 0.000 0.513 75 G N 0.289 108.999 108.800 -0.151 0.000 2.164 75 G HA2 -0.167 3.792 3.960 -0.003 0.000 0.154 75 G HA3 -0.167 3.792 3.960 -0.003 0.000 0.154 75 G C -0.068 174.755 174.900 -0.128 0.000 1.014 75 G CA -0.138 44.868 45.100 -0.157 0.000 0.683 75 G HN 0.110 nan 8.290 nan 0.000 0.500 76 V N 2.395 122.237 119.914 -0.121 0.000 2.498 76 V HA 0.626 4.744 4.120 -0.003 0.000 0.279 76 V C 1.212 177.332 176.094 0.043 0.000 1.048 76 V CA 0.079 62.344 62.300 -0.058 0.000 0.967 76 V CB 1.466 33.225 31.823 -0.107 0.000 0.988 76 V HN 0.896 nan 8.190 nan 0.000 0.473 77 S N 4.677 120.418 115.700 0.069 0.000 2.592 77 S HA 0.363 4.831 4.470 -0.003 0.000 0.271 77 S C 0.653 175.336 174.600 0.138 0.000 1.326 77 S CA -0.548 57.738 58.200 0.142 0.000 1.024 77 S CB 0.848 64.111 63.200 0.106 0.000 0.921 77 S HN 0.439 nan 8.310 nan 0.000 0.527 78 L N 1.115 122.410 121.223 0.120 0.000 2.395 78 L HA 0.093 4.431 4.340 -0.003 0.000 0.218 78 L C 2.083 178.971 176.870 0.029 0.000 1.130 78 L CA 0.845 55.676 54.840 -0.016 0.000 0.826 78 L CB -0.587 41.314 42.059 -0.264 0.000 0.941 78 L HN 0.644 nan 8.230 nan 0.000 0.451 79 D N 0.730 121.186 120.400 0.094 0.000 2.144 79 D HA -0.128 4.511 4.640 -0.003 0.000 0.200 79 D C 2.225 178.561 176.300 0.061 0.000 0.978 79 D CA 1.540 55.588 54.000 0.080 0.000 0.833 79 D CB 0.148 40.998 40.800 0.083 0.000 0.961 79 D HN 0.363 nan 8.370 nan 0.000 0.470 80 A N 0.297 123.157 122.820 0.066 0.000 2.121 80 A HA -0.046 4.273 4.320 -0.003 0.000 0.218 80 A C 1.987 179.616 177.584 0.075 0.000 1.154 80 A CA 0.685 52.761 52.037 0.066 0.000 0.679 80 A CB -0.301 18.739 19.000 0.066 0.000 0.795 80 A HN 0.208 nan 8.150 nan 0.000 0.458 81 L N -1.951 119.312 121.223 0.067 0.000 2.857 81 L HA 0.222 4.560 4.340 -0.003 0.000 0.249 81 L C 0.514 177.416 176.870 0.053 0.000 1.172 81 L CA -0.199 54.688 54.840 0.078 0.000 0.980 81 L CB 0.234 42.343 42.059 0.084 0.000 1.299 81 L HN 0.222 nan 8.230 nan 0.000 0.535 82 K N 0.788 121.214 120.400 0.044 0.000 3.071 82 K HA -0.157 4.161 4.320 -0.003 0.000 0.265 82 K C -0.288 176.314 176.600 0.003 0.000 1.060 82 K CA 0.101 56.411 56.287 0.040 0.000 0.767 82 K CB -1.167 31.376 32.500 0.072 0.000 1.241 82 K HN 0.120 nan 8.250 nan 0.000 0.486 83 V N 1.179 121.055 119.914 -0.064 0.000 2.530 83 V HA 0.118 4.236 4.120 -0.003 0.000 0.282 83 V C 1.138 177.210 176.094 -0.036 0.000 1.048 83 V CA -0.250 61.952 62.300 -0.164 0.000 0.997 83 V CB 1.239 32.755 31.823 -0.512 0.000 0.987 83 V HN 0.225 nan 8.190 nan 0.000 0.477 84 R N 3.053 123.547 120.500 -0.011 0.000 2.488 84 R HA 0.084 4.422 4.340 -0.003 0.000 0.317 84 R C 0.614 176.945 176.300 0.051 0.000 0.941 84 R CA 0.286 56.401 56.100 0.027 0.000 1.076 84 R CB 0.197 30.523 30.300 0.044 0.000 0.917 84 R HN 0.880 nan 8.270 nan 0.000 0.407 85 S N 2.190 117.877 115.700 -0.022 0.000 2.666 85 S HA 0.139 4.607 4.470 -0.003 0.000 0.279 85 S C 0.967 175.493 174.600 -0.124 0.000 1.149 85 S CA -0.544 57.534 58.200 -0.203 0.000 1.020 85 S CB 1.313 64.302 63.200 -0.352 0.000 1.127 85 S HN 0.703 nan 8.310 nan 0.000 0.537 86 K N -0.118 120.181 120.400 -0.169 0.000 2.365 86 K HA 0.267 4.585 4.320 -0.003 0.000 0.197 86 K C 0.942 177.503 176.600 -0.065 0.000 1.042 86 K CA 0.688 56.928 56.287 -0.078 0.000 0.987 86 K CB -0.134 32.328 32.500 -0.062 0.000 0.779 86 K HN 0.527 nan 8.250 nan 0.000 0.484 87 A N 0.802 123.566 122.820 -0.093 0.000 2.532 87 A HA 0.425 4.743 4.320 -0.003 0.000 0.273 87 A C 0.494 178.052 177.584 -0.043 0.000 1.342 87 A CA 0.295 52.296 52.037 -0.060 0.000 0.929 87 A CB -0.568 18.392 19.000 -0.065 0.000 1.051 87 A HN 0.382 nan 8.150 nan 0.000 0.521 88 G N -1.213 107.566 108.800 -0.035 0.000 2.725 88 G HA2 -0.067 3.891 3.960 -0.003 0.000 0.220 88 G HA3 -0.067 3.891 3.960 -0.003 0.000 0.220 88 G C -0.223 174.670 174.900 -0.011 0.000 1.357 88 G CA -0.528 44.564 45.100 -0.014 0.000 0.866 88 G HN 0.958 nan 8.290 nan 0.000 0.548 89 V N 2.625 122.543 119.914 0.007 0.000 2.521 89 V HA 0.347 4.465 4.120 -0.003 0.000 0.286 89 V C -0.910 175.192 176.094 0.014 0.000 1.034 89 V CA -0.272 62.038 62.300 0.017 0.000 1.045 89 V CB 0.642 32.483 31.823 0.031 0.000 0.974 89 V HN 0.731 nan 8.190 nan 0.000 0.480 90 P HA 0.160 nan 4.420 nan 0.000 0.271 90 P C 0.078 177.392 177.300 0.023 0.000 1.244 90 P CA -0.316 62.795 63.100 0.018 0.000 0.793 90 P CB 0.530 32.247 31.700 0.028 0.000 0.984 91 D N -2.069 118.344 120.400 0.022 0.000 2.347 91 D HA -0.050 4.588 4.640 -0.003 0.000 0.215 91 D C 0.412 176.727 176.300 0.025 0.000 0.976 91 D CA 0.773 54.786 54.000 0.021 0.000 0.884 91 D CB -0.566 40.245 40.800 0.018 0.000 0.915 91 D HN 0.443 nan 8.370 nan 0.000 0.526 92 T N -1.049 113.523 114.554 0.030 0.000 2.926 92 T HA -0.002 4.347 4.350 -0.003 0.000 0.307 92 T C 0.244 174.962 174.700 0.030 0.000 1.059 92 T CA -0.773 61.345 62.100 0.031 0.000 1.122 92 T CB 1.245 70.136 68.868 0.039 0.000 0.972 92 T HN -0.104 nan 8.240 nan 0.000 0.545 93 D N 2.959 123.369 120.400 0.016 0.000 2.425 93 D HA 0.120 4.759 4.640 -0.003 0.000 0.247 93 D C -1.372 174.922 176.300 -0.009 0.000 1.147 93 D CA -1.849 52.151 54.000 -0.001 0.000 0.879 93 D CB 1.545 42.329 40.800 -0.028 0.000 1.179 93 D HN 0.282 nan 8.370 nan 0.000 0.456 94 P HA -0.099 nan 4.420 nan 0.000 0.218 94 P C 1.345 178.524 177.300 -0.201 0.000 1.149 94 P CA 0.815 63.950 63.100 0.059 0.000 0.817 94 P CB 0.262 32.096 31.700 0.224 0.000 0.785 95 R N 0.187 120.330 120.500 -0.594 0.000 2.081 95 R HA -0.127 4.212 4.340 -0.003 0.000 0.235 95 R C 1.959 178.071 176.300 -0.313 0.000 1.131 95 R CA 1.249 56.754 56.100 -0.990 0.000 0.960 95 R CB -0.305 29.560 30.300 -0.726 0.000 0.856 95 R HN 0.057 nan 8.270 nan 0.000 0.436 96 E N -0.143 119.972 120.200 -0.141 0.000 2.285 96 E HA -0.072 4.277 4.350 -0.003 0.000 0.194 96 E C 1.642 178.272 176.600 0.049 0.000 0.997 96 E CA 0.901 57.288 56.400 -0.022 0.000 0.845 96 E CB 0.143 29.838 29.700 -0.009 0.000 0.782 96 E HN 0.416 nan 8.360 nan 0.000 0.491 97 A N 0.994 123.856 122.820 0.071 0.000 1.929 97 A HA -0.127 4.192 4.320 -0.003 0.000 0.216 97 A C 1.987 179.707 177.584 0.227 0.000 1.176 97 A CA 0.703 52.823 52.037 0.139 0.000 0.628 97 A CB -0.893 18.193 19.000 0.142 0.000 0.816 97 A HN 0.453 nan 8.150 nan 0.000 0.444 98 W N 0.883 122.210 121.300 0.046 0.000 2.388 98 W HA -0.167 4.492 4.660 -0.003 0.000 0.294 98 W C 2.179 178.783 176.519 0.142 0.000 1.212 98 W CA 1.767 59.198 57.345 0.144 0.000 1.271 98 W CB -0.165 29.372 29.460 0.129 0.000 1.126 98 W HN 0.359 nan 8.180 nan 0.000 0.535 99 R N 0.671 121.266 120.500 0.158 0.000 2.091 99 R HA -0.187 4.151 4.340 -0.003 0.000 0.238 99 R C 2.146 178.476 176.300 0.050 0.000 1.136 99 R CA 2.374 58.513 56.100 0.066 0.000 0.959 99 R CB -0.971 29.370 30.300 0.067 0.000 0.856 99 R HN 0.075 nan 8.270 nan 0.000 0.437 100 V N 0.387 120.371 119.914 0.117 0.000 2.358 100 V HA -0.197 3.922 4.120 -0.003 0.000 0.246 100 V C 1.994 178.249 176.094 0.268 0.000 1.047 100 V CA 1.890 64.311 62.300 0.203 0.000 1.035 100 V CB -0.705 31.219 31.823 0.169 0.000 0.658 100 V HN 0.337 nan 8.190 nan 0.000 0.452 101 F N 1.737 121.688 119.950 0.003 0.000 2.146 101 F HA -0.076 4.450 4.527 -0.001 0.000 0.298 101 F C 2.240 177.977 175.800 -0.106 0.000 1.096 101 F CA 1.290 59.265 58.000 -0.042 0.000 1.275 101 F CB -0.588 38.283 39.000 -0.214 0.000 1.008 101 F HN 0.062 nan 8.300 nan 0.000 0.480 102 A N -0.512 121.994 122.820 -0.523 0.000 1.930 102 A HA -0.126 4.192 4.320 -0.003 0.000 0.217 102 A C 2.305 179.754 177.584 -0.226 0.000 1.175 102 A CA 1.829 53.510 52.037 -0.593 0.000 0.627 102 A CB -1.181 17.500 19.000 -0.532 0.000 0.815 102 A HN 0.414 nan 8.150 nan 0.000 0.443 103 S N -1.011 114.641 115.700 -0.080 0.000 2.481 103 S HA -0.073 4.395 4.470 -0.003 0.000 0.231 103 S C 0.964 175.543 174.600 -0.034 0.000 0.996 103 S CA 1.164 59.338 58.200 -0.044 0.000 0.942 103 S CB -0.314 62.861 63.200 -0.043 0.000 0.768 103 S HN 0.801 nan 8.310 nan 0.000 0.520 104 H N -1.128 118.001 119.070 0.098 0.000 2.581 104 H HA 0.343 4.898 4.556 -0.002 0.000 0.275 104 H C 0.671 176.003 175.328 0.005 0.000 1.126 104 H CA -0.399 55.694 56.048 0.074 0.000 1.097 104 H CB 0.056 29.847 29.762 0.049 0.000 1.626 104 H HN 0.254 nan 8.280 nan 0.000 0.565 105 F N 0.880 120.777 119.950 -0.088 0.000 2.502 105 F HA -0.120 4.405 4.527 -0.003 0.000 0.298 105 F C 1.585 177.516 175.800 0.218 0.000 1.111 105 F CA 0.459 58.407 58.000 -0.086 0.000 1.445 105 F CB -0.220 38.514 39.000 -0.443 0.000 1.081 105 F HN 0.333 nan 8.300 nan 0.000 0.558 106 Y N -2.004 118.316 120.300 0.035 0.000 2.421 106 Y HA -0.030 4.520 4.550 -0.000 0.000 0.292 106 Y C 1.559 177.432 175.900 -0.045 0.000 1.136 106 Y CA 0.604 58.697 58.100 -0.013 0.000 1.255 106 Y CB -1.170 37.285 38.460 -0.008 0.000 0.991 106 Y HN -0.011 nan 8.280 nan 0.000 0.552 107 L N -0.195 120.619 121.223 -0.682 0.000 2.191 107 L HA -0.097 4.241 4.340 -0.003 0.000 0.212 107 L C 1.289 177.855 176.870 -0.506 0.000 1.103 107 L CA 1.270 55.696 54.840 -0.689 0.000 0.769 107 L CB -1.343 40.225 42.059 -0.818 0.000 0.908 107 L HN 0.297 nan 8.230 nan 0.000 0.438 108 F N -0.886 118.970 119.950 -0.157 0.000 2.692 108 F HA 0.156 4.681 4.527 -0.003 0.000 0.303 108 F C 1.154 176.953 175.800 -0.001 0.000 1.114 108 F CA -0.377 57.589 58.000 -0.057 0.000 1.361 108 F CB -0.350 38.628 39.000 -0.036 0.000 1.063 108 F HN -0.174 nan 8.300 nan 0.000 0.550 109 R N 0.420 120.953 120.500 0.056 0.000 2.484 109 R HA 0.285 4.624 4.340 -0.003 0.000 0.293 109 R C 1.331 177.542 176.300 -0.147 0.000 1.023 109 R CA 0.912 56.965 56.100 -0.078 0.000 1.037 109 R CB -0.028 30.228 30.300 -0.073 0.000 0.951 109 R HN 0.444 nan 8.270 nan 0.000 0.418 110 G N 1.741 110.376 108.800 -0.276 0.000 2.199 110 G HA2 -0.322 3.637 3.960 -0.003 0.000 0.254 110 G HA3 -0.322 3.637 3.960 -0.003 0.000 0.254 110 G C 0.308 175.148 174.900 -0.100 0.000 0.982 110 G CA 0.425 45.404 45.100 -0.201 0.000 0.632 110 G HN 0.714 nan 8.290 nan 0.000 0.529 111 T N -1.410 113.133 114.554 -0.019 0.000 2.928 111 T HA 0.681 5.029 4.350 -0.003 0.000 0.284 111 T C -0.667 174.009 174.700 -0.041 0.000 1.008 111 T CA -0.981 61.135 62.100 0.028 0.000 1.057 111 T CB 2.575 71.534 68.868 0.152 0.000 1.018 111 T HN -0.032 nan 8.240 nan 0.000 0.493 112 P HA -0.033 nan 4.420 nan 0.000 0.222 112 P C 1.492 178.202 177.300 -0.983 0.000 1.147 112 P CA 0.655 63.342 63.100 -0.689 0.000 0.790 112 P CB -0.064 31.056 31.700 -0.966 0.000 0.780 113 S N -1.503 113.941 115.700 -0.426 0.000 2.442 113 S HA -0.128 4.340 4.470 -0.003 0.000 0.236 113 S C 1.476 176.128 174.600 0.086 0.000 1.007 113 S CA 0.626 58.785 58.200 -0.069 0.000 0.965 113 S CB -0.869 62.411 63.200 0.134 0.000 0.773 113 S HN 0.316 nan 8.310 nan 0.000 0.504 114 W N 1.634 122.907 121.300 -0.045 0.000 2.379 114 W HA -0.127 4.531 4.660 -0.004 0.000 0.307 114 W C 1.905 178.500 176.519 0.126 0.000 1.200 114 W CA 1.011 58.395 57.345 0.064 0.000 1.297 114 W CB -0.326 29.162 29.460 0.046 0.000 1.140 114 W HN -0.004 nan 8.180 nan 0.000 0.507 115 V N -0.118 120.026 119.914 0.384 0.000 2.323 115 V HA -0.287 3.831 4.120 -0.003 0.000 0.244 115 V C 2.009 178.288 176.094 0.308 0.000 1.041 115 V CA 1.808 64.360 62.300 0.420 0.000 1.025 115 V CB -1.215 30.755 31.823 0.246 0.000 0.656 115 V HN 0.257 nan 8.190 nan 0.000 0.451 116 W N -0.015 121.350 121.300 0.108 0.000 2.355 116 W HA -0.048 4.611 4.660 -0.002 0.000 0.309 116 W C 2.311 178.725 176.519 -0.175 0.000 1.206 116 W CA 0.745 58.059 57.345 -0.052 0.000 1.284 116 W CB -1.330 28.062 29.460 -0.112 0.000 1.145 116 W HN 0.237 nan 8.180 nan 0.000 0.502 117 L N 0.410 121.621 121.223 -0.020 0.000 2.072 117 L HA -0.190 4.148 4.340 -0.003 0.000 0.205 117 L C 2.161 178.600 176.870 -0.718 0.000 1.079 117 L CA 1.095 55.665 54.840 -0.450 0.000 0.752 117 L CB -0.786 41.016 42.059 -0.429 0.000 0.906 117 L HN -0.062 nan 8.230 nan 0.000 0.436 118 N N -0.906 117.520 118.700 -0.458 0.000 2.309 118 N HA -0.210 4.529 4.740 -0.003 0.000 0.182 118 N C 1.683 176.678 175.510 -0.859 0.000 1.018 118 N CA 1.036 53.752 53.050 -0.557 0.000 0.876 118 N CB -0.291 37.796 38.487 -0.667 0.000 0.972 118 N HN 0.476 nan 8.380 nan 0.000 0.434 119 H N 0.471 119.052 119.070 -0.814 0.000 2.326 119 H HA 0.020 4.574 4.556 -0.003 0.000 0.301 119 H C 1.929 177.106 175.328 -0.251 0.000 1.081 119 H CA 1.473 57.221 56.048 -0.499 0.000 1.334 119 H CB 0.115 29.868 29.762 -0.014 0.000 1.385 119 H HN -0.131 nan 8.280 nan 0.000 0.504 120 V N 0.359 120.243 119.914 -0.049 0.000 2.287 120 V HA -0.273 3.845 4.120 -0.003 0.000 0.248 120 V C 2.166 178.367 176.094 0.178 0.000 1.053 120 V CA 2.036 64.310 62.300 -0.043 0.000 1.027 120 V CB -0.770 30.958 31.823 -0.158 0.000 0.646 120 V HN 0.459 nan 8.190 nan 0.000 0.447 121 F N 0.921 120.965 119.950 0.156 0.000 2.102 121 F HA -0.204 4.322 4.527 -0.003 0.000 0.298 121 F C 2.742 178.716 175.800 0.289 0.000 1.105 121 F CA 1.340 59.532 58.000 0.320 0.000 1.239 121 F CB -0.339 38.716 39.000 0.092 0.000 0.991 121 F HN 0.340 nan 8.300 nan 0.000 0.474 122 S N -1.091 114.727 115.700 0.197 0.000 2.439 122 S HA -0.089 4.380 4.470 -0.003 0.000 0.224 122 S C 1.647 176.277 174.600 0.050 0.000 1.029 122 S CA 0.505 58.765 58.200 0.101 0.000 0.946 122 S CB -0.037 63.143 63.200 -0.033 0.000 0.797 122 S HN 0.262 nan 8.310 nan 0.000 0.504 123 Q N 0.565 120.339 119.800 -0.044 0.000 2.304 123 Q HA 0.340 4.678 4.340 -0.003 0.000 0.204 123 Q C 2.037 178.041 176.000 0.006 0.000 0.936 123 Q CA 0.899 56.660 55.803 -0.071 0.000 0.878 123 Q CB 0.062 28.620 28.738 -0.301 0.000 0.983 123 Q HN 0.426 nan 8.270 nan 0.000 0.516 124 V N -0.361 119.556 119.914 0.004 0.000 2.535 124 V HA -0.027 4.091 4.120 -0.003 0.000 0.246 124 V C 1.291 177.365 176.094 -0.034 0.000 1.045 124 V CA 1.448 63.718 62.300 -0.050 0.000 1.058 124 V CB -0.259 31.451 31.823 -0.189 0.000 0.689 124 V HN 0.280 nan 8.190 nan 0.000 0.461 125 F N 0.022 120.118 119.950 0.243 0.000 2.559 125 F HA 0.454 4.979 4.527 -0.003 0.000 0.286 125 F C 1.914 177.681 175.800 -0.054 0.000 1.108 125 F CA 0.743 58.821 58.000 0.129 0.000 1.436 125 F CB 0.336 39.452 39.000 0.192 0.000 1.130 125 F HN 0.262 nan 8.300 nan 0.000 0.584 126 G N 0.793 109.700 108.800 0.178 0.000 2.130 126 G HA2 -0.276 3.683 3.960 -0.003 0.000 0.216 126 G HA3 -0.276 3.683 3.960 -0.003 0.000 0.216 126 G C 0.024 174.896 174.900 -0.047 0.000 0.999 126 G CA -0.683 44.443 45.100 0.042 0.000 0.686 126 G HN 0.142 nan 8.290 nan 0.000 0.515 127 F N -0.163 119.796 119.950 0.015 0.000 2.553 127 F HA 0.455 4.980 4.527 -0.003 0.000 0.356 127 F C 1.779 177.571 175.800 -0.013 0.000 1.142 127 F CA 1.649 59.589 58.000 -0.100 0.000 1.322 127 F CB 1.247 40.098 39.000 -0.249 0.000 1.126 127 F HN 0.023 nan 8.300 nan 0.000 0.599 128 T N 0.669 115.342 114.554 0.198 0.000 2.975 128 T HA 0.164 4.512 4.350 -0.003 0.000 0.261 128 T C -0.056 174.761 174.700 0.195 0.000 0.984 128 T CA 0.076 62.271 62.100 0.159 0.000 0.911 128 T CB -0.081 68.839 68.868 0.088 0.000 1.127 128 T HN 0.523 nan 8.240 nan 0.000 0.514 129 E N 0.284 120.623 120.200 0.232 0.000 2.227 129 E HA 0.423 4.771 4.350 -0.003 0.000 0.268 129 E C -1.494 175.296 176.600 0.317 0.000 0.907 129 E CA -0.858 55.696 56.400 0.257 0.000 0.786 129 E CB 1.855 31.688 29.700 0.222 0.000 1.191 129 E HN 0.159 nan 8.360 nan 0.000 0.411 130 F N 2.044 122.090 119.950 0.161 0.000 2.429 130 F HA 0.161 4.687 4.527 -0.002 0.000 0.348 130 F C 0.104 175.899 175.800 -0.007 0.000 1.109 130 F CA -0.358 57.711 58.000 0.114 0.000 1.232 130 F CB 0.547 39.627 39.000 0.133 0.000 1.157 130 F HN 0.273 nan 8.300 nan 0.000 0.564 131 L N 5.830 126.681 121.223 -0.620 0.000 2.500 131 L HA 0.154 4.492 4.340 -0.003 0.000 0.272 131 L C -0.465 176.274 176.870 -0.218 0.000 1.149 131 L CA 0.524 54.843 54.840 -0.867 0.000 0.897 131 L CB 0.070 41.160 42.059 -1.615 0.000 1.178 131 L HN 0.765 nan 8.230 nan 0.000 0.473 132 E N 1.880 121.985 120.200 -0.158 0.000 2.450 132 E HA 0.391 4.739 4.350 -0.003 0.000 0.272 132 E C 0.228 176.785 176.600 -0.071 0.000 0.967 132 E CA -0.393 55.998 56.400 -0.015 0.000 0.818 132 E CB 1.560 31.305 29.700 0.074 0.000 1.401 132 E HN 0.612 nan 8.360 nan 0.000 0.450 133 A N 0.413 123.213 122.820 -0.034 0.000 1.933 133 A HA -0.171 4.147 4.320 -0.003 0.000 0.218 133 A C 1.990 179.577 177.584 0.005 0.000 1.175 133 A CA 2.206 54.226 52.037 -0.029 0.000 0.628 133 A CB -0.753 18.231 19.000 -0.027 0.000 0.814 133 A HN 0.503 nan 8.150 nan 0.000 0.444 134 S N -0.506 115.205 115.700 0.018 0.000 2.481 134 S HA -0.074 4.394 4.470 -0.003 0.000 0.231 134 S C 1.530 176.169 174.600 0.064 0.000 0.996 134 S CA 1.175 59.398 58.200 0.038 0.000 0.942 134 S CB -0.354 62.868 63.200 0.037 0.000 0.768 134 S HN 0.501 nan 8.310 nan 0.000 0.520 135 N N 1.399 120.139 118.700 0.066 0.000 2.325 135 N HA 0.349 5.087 4.740 -0.003 0.000 0.182 135 N C 1.622 177.240 175.510 0.180 0.000 1.088 135 N CA 0.697 53.822 53.050 0.124 0.000 0.879 135 N CB -0.164 38.390 38.487 0.111 0.000 0.983 135 N HN 0.455 nan 8.380 nan 0.000 0.471 136 A N 1.018 123.913 122.820 0.124 0.000 1.869 136 A HA -0.193 4.126 4.320 -0.003 0.000 0.218 136 A C 1.824 179.658 177.584 0.416 0.000 1.203 136 A CA 1.874 54.054 52.037 0.238 0.000 0.638 136 A CB -0.703 18.380 19.000 0.138 0.000 0.831 136 A HN 0.273 nan 8.150 nan 0.000 0.450 137 D N -0.803 119.749 120.400 0.253 0.000 2.144 137 D HA -0.140 4.499 4.640 -0.003 0.000 0.199 137 D C 1.609 178.027 176.300 0.197 0.000 0.984 137 D CA 1.688 55.813 54.000 0.207 0.000 0.834 137 D CB -0.404 40.467 40.800 0.118 0.000 0.955 137 D HN 0.571 nan 8.370 nan 0.000 0.465 138 D N -0.615 119.894 120.400 0.181 0.000 2.144 138 D HA -0.181 4.458 4.640 -0.003 0.000 0.199 138 D C 1.942 178.327 176.300 0.141 0.000 0.984 138 D CA 0.886 54.965 54.000 0.133 0.000 0.834 138 D CB -0.094 40.780 40.800 0.123 0.000 0.955 138 D HN 0.166 nan 8.370 nan 0.000 0.465 139 Y N -0.608 119.735 120.300 0.070 0.000 2.145 139 Y HA -0.132 4.416 4.550 -0.003 0.000 0.286 139 Y C 2.095 177.840 175.900 -0.258 0.000 1.145 139 Y CA 1.590 59.642 58.100 -0.080 0.000 1.148 139 Y CB -0.581 37.807 38.460 -0.119 0.000 0.981 139 Y HN 0.042 nan 8.280 nan 0.000 0.507 140 F N 1.550 121.298 119.950 -0.336 0.000 2.026 140 F HA -0.313 4.212 4.527 -0.003 0.000 0.296 140 F C 2.221 177.755 175.800 -0.443 0.000 1.133 140 F CA 2.186 59.739 58.000 -0.746 0.000 1.188 140 F CB -0.454 38.212 39.000 -0.556 0.000 0.968 140 F HN 0.256 nan 8.300 nan 0.000 0.476 141 D N -0.912 119.386 120.400 -0.169 0.000 2.312 141 D HA -0.105 4.534 4.640 -0.003 0.000 0.211 141 D C 1.992 178.122 176.300 -0.283 0.000 0.964 141 D CA 0.762 54.624 54.000 -0.230 0.000 0.877 141 D CB -0.697 40.101 40.800 -0.003 0.000 0.924 141 D HN 0.279 nan 8.370 nan 0.000 0.515 142 R N 0.218 120.561 120.500 -0.263 0.000 2.148 142 R HA 0.084 4.423 4.340 -0.003 0.000 0.223 142 R C 2.220 178.241 176.300 -0.464 0.000 1.088 142 R CA 1.064 56.973 56.100 -0.317 0.000 0.985 142 R CB -0.179 29.933 30.300 -0.314 0.000 0.880 142 R HN 0.454 nan 8.270 nan 0.000 0.451 143 I N -2.901 117.321 120.570 -0.580 0.000 3.228 143 I HA 0.062 4.231 4.170 -0.003 0.000 0.279 143 I C 1.261 177.006 176.117 -0.620 0.000 1.221 143 I CA 0.658 61.481 61.300 -0.795 0.000 1.458 143 I CB -0.232 37.048 38.000 -1.200 0.000 1.105 143 I HN -0.185 nan 8.210 nan 0.000 0.445 144 T N 2.030 116.196 114.554 -0.647 0.000 2.777 144 T HA -0.010 4.339 4.350 -0.003 0.000 0.266 144 T C 2.157 176.650 174.700 -0.345 0.000 1.040 144 T CA 1.814 63.587 62.100 -0.546 0.000 1.141 144 T CB -0.221 68.231 68.868 -0.694 0.000 0.868 144 T HN 0.560 nan 8.240 nan 0.000 0.444 145 A N 1.146 123.777 122.820 -0.315 0.000 2.014 145 A HA 0.334 4.652 4.320 -0.003 0.000 0.218 145 A C 2.543 179.996 177.584 -0.219 0.000 1.163 145 A CA 1.460 53.364 52.037 -0.222 0.000 0.652 145 A CB -0.798 18.089 19.000 -0.188 0.000 0.808 145 A HN 0.490 nan 8.150 nan 0.000 0.449 146 A N -0.386 122.243 122.820 -0.317 0.000 2.014 146 A HA 0.124 4.442 4.320 -0.003 0.000 0.218 146 A C 1.987 179.354 177.584 -0.363 0.000 1.163 146 A CA 1.061 52.863 52.037 -0.392 0.000 0.652 146 A CB -0.435 18.194 19.000 -0.617 0.000 0.808 146 A HN 0.447 nan 8.150 nan 0.000 0.449 147 L N -0.926 120.139 121.223 -0.263 0.000 2.376 147 L HA -0.074 4.264 4.340 -0.003 0.000 0.219 147 L C 2.826 179.690 176.870 -0.011 0.000 1.133 147 L CA 0.658 55.460 54.840 -0.063 0.000 0.816 147 L CB -0.296 41.742 42.059 -0.035 0.000 0.933 147 L HN 0.425 nan 8.230 nan 0.000 0.449 148 A N -0.353 122.430 122.820 -0.062 0.000 2.014 148 A HA -0.051 4.267 4.320 -0.003 0.000 0.218 148 A C 1.484 179.063 177.584 -0.008 0.000 1.163 148 A CA 1.119 53.129 52.037 -0.044 0.000 0.652 148 A CB -0.702 18.259 19.000 -0.065 0.000 0.808 148 A HN 0.440 nan 8.150 nan 0.000 0.449 149 T N -2.827 111.742 114.554 0.026 0.000 2.828 149 T HA 0.242 4.590 4.350 -0.003 0.000 0.290 149 T C 0.278 175.036 174.700 0.097 0.000 1.019 149 T CA 0.177 62.318 62.100 0.067 0.000 1.031 149 T CB 0.725 69.657 68.868 0.106 0.000 1.001 149 T HN 0.135 nan 8.240 nan 0.000 0.531 150 D N 0.856 121.292 120.400 0.060 0.000 2.269 150 D HA 0.108 4.746 4.640 -0.003 0.000 0.208 150 D C 2.146 178.458 176.300 0.019 0.000 0.963 150 D CA 1.130 55.145 54.000 0.025 0.000 0.864 150 D CB -0.512 40.289 40.800 0.002 0.000 0.936 150 D HN 0.745 nan 8.370 nan 0.000 0.505 151 A N -0.610 122.240 122.820 0.050 0.000 2.119 151 A HA -0.024 4.295 4.320 -0.003 0.000 0.217 151 A C 1.122 178.556 177.584 -0.250 0.000 1.153 151 A CA 0.512 52.498 52.037 -0.085 0.000 0.692 151 A CB -0.381 18.567 19.000 -0.087 0.000 0.799 151 A HN 0.158 nan 8.150 nan 0.000 0.458 152 F N 0.182 120.122 119.950 -0.016 0.000 2.708 152 F HA 0.262 4.788 4.527 -0.003 0.000 0.300 152 F C 0.615 176.435 175.800 0.034 0.000 1.118 152 F CA -0.558 57.452 58.000 0.017 0.000 1.307 152 F CB 0.404 39.443 39.000 0.065 0.000 0.986 152 F HN -0.074 nan 8.300 nan 0.000 0.522 153 R N 0.890 121.432 120.500 0.069 0.000 2.490 153 R HA 0.149 4.487 4.340 -0.003 0.000 0.280 153 R C -1.620 174.663 176.300 -0.030 0.000 1.077 153 R CA -1.768 54.305 56.100 -0.045 0.000 1.065 153 R CB -0.069 30.169 30.300 -0.104 0.000 1.003 153 R HN -0.008 nan 8.270 nan 0.000 0.470 154 P HA -0.192 nan 4.420 nan 0.000 0.217 154 P C 0.980 178.371 177.300 0.152 0.000 1.158 154 P CA 1.675 64.726 63.100 -0.081 0.000 0.887 154 P CB 0.148 31.494 31.700 -0.590 0.000 0.792 155 R N -1.019 119.402 120.500 -0.131 0.000 2.092 155 R HA -0.005 4.334 4.340 -0.003 0.000 0.231 155 R C 2.307 178.638 176.300 0.052 0.000 1.119 155 R CA 1.389 57.278 56.100 -0.351 0.000 0.970 155 R CB -0.857 28.845 30.300 -0.996 0.000 0.864 155 R HN 0.161 nan 8.270 nan 0.000 0.440 156 A N 1.053 123.873 122.820 -0.001 0.000 1.898 156 A HA -0.089 4.229 4.320 -0.003 0.000 0.216 156 A C 2.128 179.693 177.584 -0.031 0.000 1.181 156 A CA 0.990 53.033 52.037 0.009 0.000 0.620 156 A CB -0.412 18.549 19.000 -0.066 0.000 0.819 156 A HN 0.155 nan 8.150 nan 0.000 0.442 157 L N -2.148 119.038 121.223 -0.062 0.000 2.056 157 L HA -0.132 4.207 4.340 -0.003 0.000 0.207 157 L C 2.437 179.153 176.870 -0.256 0.000 1.078 157 L CA 1.451 56.048 54.840 -0.404 0.000 0.749 157 L CB -0.535 41.365 42.059 -0.265 0.000 0.901 157 L HN 0.498 nan 8.230 nan 0.000 0.433 158 F N 1.287 121.411 119.950 0.290 0.000 2.120 158 F HA -0.312 4.213 4.527 -0.003 0.000 0.300 158 F C 2.185 178.136 175.800 0.251 0.000 1.095 158 F CA 1.924 60.205 58.000 0.469 0.000 1.249 158 F CB -0.045 39.314 39.000 0.598 0.000 0.995 158 F HN 0.163 nan 8.300 nan 0.000 0.480 159 D N -0.488 120.199 120.400 0.479 0.000 2.149 159 D HA -0.123 4.515 4.640 -0.003 0.000 0.201 159 D C 2.271 178.626 176.300 0.092 0.000 0.972 159 D CA 0.850 55.029 54.000 0.297 0.000 0.835 159 D CB -0.481 40.503 40.800 0.306 0.000 0.966 159 D HN 0.294 nan 8.370 nan 0.000 0.476 160 R N -0.193 120.286 120.500 -0.036 0.000 2.092 160 R HA -0.082 4.256 4.340 -0.003 0.000 0.231 160 R C 1.613 177.910 176.300 -0.006 0.000 1.119 160 R CA 0.812 56.843 56.100 -0.114 0.000 0.970 160 R CB -0.135 29.979 30.300 -0.310 0.000 0.864 160 R HN 0.048 nan 8.270 nan 0.000 0.440 161 F N 0.889 120.805 119.950 -0.057 0.000 2.661 161 F HA 0.066 4.592 4.527 -0.003 0.000 0.298 161 F C 0.909 176.635 175.800 -0.125 0.000 1.137 161 F CA 0.415 58.342 58.000 -0.122 0.000 1.454 161 F CB -0.936 37.938 39.000 -0.210 0.000 1.103 161 F HN 0.227 nan 8.300 nan 0.000 0.577 162 N N 0.812 119.553 118.700 0.068 0.000 2.758 162 N HA -0.230 4.508 4.740 -0.003 0.000 0.248 162 N C -0.407 175.057 175.510 -0.076 0.000 1.076 162 N CA -0.148 52.905 53.050 0.005 0.000 0.696 162 N CB -1.032 37.465 38.487 0.015 0.000 0.979 162 N HN 0.148 nan 8.380 nan 0.000 0.550 163 I N 1.160 121.597 120.570 -0.222 0.000 2.452 163 I HA -0.027 4.142 4.170 -0.003 0.000 0.287 163 I C 1.597 177.556 176.117 -0.264 0.000 1.079 163 I CA 0.254 61.314 61.300 -0.400 0.000 1.387 163 I CB 1.121 38.600 38.000 -0.868 0.000 1.404 163 I HN 0.299 nan 8.210 nan 0.000 0.522 164 E N 3.635 123.779 120.200 -0.094 0.000 2.102 164 E HA 0.008 4.356 4.350 -0.003 0.000 0.190 164 E C -0.156 176.506 176.600 0.104 0.000 0.971 164 E CA 0.815 57.227 56.400 0.020 0.000 0.821 164 E CB 0.536 30.266 29.700 0.049 0.000 0.777 164 E HN 0.661 nan 8.360 nan 0.000 0.460 165 T N 0.575 115.180 114.554 0.085 0.000 2.971 165 T HA 0.447 4.795 4.350 -0.003 0.000 0.304 165 T C -1.213 173.552 174.700 0.109 0.000 1.038 165 T CA -0.589 61.633 62.100 0.204 0.000 1.007 165 T CB 1.706 70.683 68.868 0.181 0.000 1.055 165 T HN 0.030 nan 8.240 nan 0.000 0.451 166 L N 2.653 123.975 121.223 0.166 0.000 2.376 166 L HA 0.792 5.131 4.340 -0.003 0.000 0.275 166 L C -0.642 176.269 176.870 0.069 0.000 0.987 166 L CA -0.849 54.071 54.840 0.133 0.000 0.828 166 L CB 1.305 43.539 42.059 0.292 0.000 1.249 166 L HN 0.828 nan 8.230 nan 0.000 0.409 167 A N 2.663 125.493 122.820 0.017 0.000 2.304 167 A HA 0.743 5.061 4.320 -0.003 0.000 0.323 167 A C 0.034 177.595 177.584 -0.038 0.000 1.195 167 A CA -0.370 51.665 52.037 -0.004 0.000 0.826 167 A CB 1.220 20.200 19.000 -0.032 0.000 1.184 167 A HN 0.688 nan 8.150 nan 0.000 0.496 168 T N -0.834 113.725 114.554 0.010 0.000 2.937 168 T HA 0.752 5.100 4.350 -0.003 0.000 0.283 168 T C -0.111 174.526 174.700 -0.105 0.000 1.012 168 T CA -0.542 61.532 62.100 -0.044 0.000 0.997 168 T CB 1.379 70.296 68.868 0.083 0.000 1.136 168 T HN 0.461 nan 8.240 nan 0.000 0.551 169 T N 1.684 116.144 114.554 -0.157 0.000 2.815 169 T HA 0.621 4.970 4.350 -0.003 0.000 0.289 169 T C -0.973 173.716 174.700 -0.017 0.000 1.000 169 T CA -0.537 61.486 62.100 -0.129 0.000 0.958 169 T CB 1.271 69.949 68.868 -0.317 0.000 0.944 169 T HN 0.657 nan 8.240 nan 0.000 0.442 170 E N 1.065 121.301 120.200 0.060 0.000 2.293 170 E HA 0.625 4.973 4.350 -0.003 0.000 0.270 170 E C 0.245 176.870 176.600 0.041 0.000 0.879 170 E CA -0.462 55.977 56.400 0.066 0.000 0.756 170 E CB 1.668 31.388 29.700 0.034 0.000 1.208 170 E HN 0.705 nan 8.360 nan 0.000 0.428 171 G N 1.744 110.446 108.800 -0.163 0.000 2.599 171 G HA2 0.283 4.241 3.960 -0.003 0.000 0.264 171 G HA3 0.283 4.241 3.960 -0.003 0.000 0.264 171 G C -1.781 172.917 174.900 -0.337 0.000 1.200 171 G CA -1.173 43.701 45.100 -0.377 0.000 0.896 171 G HN 0.404 nan 8.290 nan 0.000 0.536 172 P HA -0.009 nan 4.420 nan 0.000 0.236 172 P C 1.105 178.411 177.300 0.010 0.000 1.177 172 P CA 0.834 63.806 63.100 -0.213 0.000 0.773 172 P CB 0.079 31.470 31.700 -0.515 0.000 0.878 173 H N -0.886 118.141 119.070 -0.072 0.000 2.548 173 H HA 0.183 4.737 4.556 -0.003 0.000 0.265 173 H C 0.157 175.517 175.328 0.054 0.000 0.969 173 H CA -0.001 56.069 56.048 0.037 0.000 1.155 173 H CB -0.091 29.653 29.762 -0.030 0.000 1.394 173 H HN 0.246 nan 8.280 nan 0.000 0.570 174 E N 1.051 121.103 120.200 -0.247 0.000 2.235 174 E HA 0.434 4.783 4.350 -0.003 0.000 0.265 174 E C -0.780 175.777 176.600 -0.071 0.000 0.940 174 E CA -1.112 55.208 56.400 -0.133 0.000 0.819 174 E CB 1.958 31.540 29.700 -0.196 0.000 1.206 174 E HN -0.027 nan 8.360 nan 0.000 0.409 175 S N 0.645 116.305 115.700 -0.066 0.000 2.601 175 S HA 0.259 4.727 4.470 -0.003 0.000 0.271 175 S C 0.277 174.796 174.600 -0.134 0.000 1.305 175 S CA -0.677 57.468 58.200 -0.090 0.000 1.022 175 S CB 0.203 63.348 63.200 -0.093 0.000 0.940 175 S HN 0.488 nan 8.310 nan 0.000 0.525 176 L N 4.403 125.524 121.223 -0.169 0.000 3.073 176 L HA 0.276 4.614 4.340 -0.003 0.000 0.242 176 L C 1.647 178.441 176.870 -0.127 0.000 1.317 176 L CA -0.125 54.612 54.840 -0.173 0.000 1.081 176 L CB -0.169 41.679 42.059 -0.351 0.000 1.456 176 L HN 0.736 nan 8.230 nan 0.000 0.525 177 Q N -0.360 119.323 119.800 -0.194 0.000 2.079 177 Q HA -0.177 4.162 4.340 -0.003 0.000 0.200 177 Q C 1.564 177.411 176.000 -0.255 0.000 0.974 177 Q CA 1.748 57.393 55.803 -0.263 0.000 0.840 177 Q CB 0.029 28.538 28.738 -0.382 0.000 0.898 177 Q HN 0.677 nan 8.270 nan 0.000 0.430 178 H N -1.345 117.670 119.070 -0.091 0.000 2.389 178 H HA -0.087 4.468 4.556 -0.003 0.000 0.299 178 H C 1.750 176.957 175.328 -0.202 0.000 1.081 178 H CA 1.346 57.305 56.048 -0.149 0.000 1.345 178 H CB 0.018 29.665 29.762 -0.192 0.000 1.393 178 H HN 0.340 nan 8.280 nan 0.000 0.520 179 H N -0.115 118.912 119.070 -0.073 0.000 2.387 179 H HA -0.022 4.533 4.556 -0.003 0.000 0.299 179 H C 2.296 177.466 175.328 -0.263 0.000 1.090 179 H CA 1.055 56.999 56.048 -0.173 0.000 1.332 179 H CB -0.033 29.596 29.762 -0.222 0.000 1.386 179 H HN 0.441 nan 8.280 nan 0.000 0.516 180 A N 0.752 123.502 122.820 -0.117 0.000 1.930 180 A HA -0.071 4.247 4.320 -0.003 0.000 0.217 180 A C 2.506 179.990 177.584 -0.165 0.000 1.175 180 A CA 1.389 53.318 52.037 -0.180 0.000 0.627 180 A CB -0.974 17.936 19.000 -0.149 0.000 0.815 180 A HN 0.464 nan 8.150 nan 0.000 0.443 181 A N 0.112 122.863 122.820 -0.116 0.000 1.933 181 A HA -0.052 4.266 4.320 -0.003 0.000 0.218 181 A C 1.991 179.538 177.584 -0.060 0.000 1.175 181 A CA 1.530 53.521 52.037 -0.076 0.000 0.628 181 A CB -0.481 18.494 19.000 -0.041 0.000 0.814 181 A HN 0.417 nan 8.150 nan 0.000 0.444 182 I N 0.682 121.204 120.570 -0.079 0.000 2.127 182 I HA -0.257 3.912 4.170 -0.003 0.000 0.241 182 I C 2.559 178.634 176.117 -0.070 0.000 1.075 182 I CA 2.129 63.419 61.300 -0.016 0.000 1.334 182 I CB -1.292 36.675 38.000 -0.054 0.000 1.040 182 I HN 0.570 nan 8.210 nan 0.000 0.405 183 R N 1.541 121.840 120.500 -0.334 0.000 2.299 183 R HA -0.052 4.287 4.340 -0.003 0.000 0.197 183 R C 1.480 177.672 176.300 -0.180 0.000 0.971 183 R CA 0.802 56.615 56.100 -0.478 0.000 1.030 183 R CB -0.384 29.047 30.300 -1.448 0.000 0.932 183 R HN 0.604 nan 8.270 nan 0.000 0.477 184 E N 1.120 121.253 120.200 -0.112 0.000 2.431 184 E HA 0.019 4.367 4.350 -0.003 0.000 0.200 184 E C 0.251 176.858 176.600 0.011 0.000 0.995 184 E CA 0.096 56.470 56.400 -0.044 0.000 0.915 184 E CB 0.247 29.911 29.700 -0.061 0.000 0.930 184 E HN 0.241 nan 8.360 nan 0.000 0.496 185 S N -0.079 115.643 115.700 0.037 0.000 2.617 185 S HA 0.345 4.814 4.470 -0.003 0.000 0.269 185 S C 1.282 175.955 174.600 0.121 0.000 1.292 185 S CA -0.241 58.005 58.200 0.078 0.000 1.010 185 S CB 1.420 64.676 63.200 0.095 0.000 0.944 185 S HN 0.200 nan 8.310 nan 0.000 0.536 186 G N 0.152 109.024 108.800 0.121 0.000 2.534 186 G HA2 -0.065 3.894 3.960 -0.003 0.000 0.217 186 G HA3 -0.065 3.894 3.960 -0.003 0.000 0.217 186 G C 0.197 175.194 174.900 0.163 0.000 1.128 186 G CA -0.353 44.818 45.100 0.118 0.000 0.784 186 G HN 0.792 nan 8.290 nan 0.000 0.542 187 W N 1.948 123.254 121.300 0.011 0.000 2.381 187 W HA 0.454 5.112 4.660 -0.003 0.000 0.321 187 W C 1.027 177.560 176.519 0.022 0.000 1.407 187 W CA -0.687 56.660 57.345 0.002 0.000 1.274 187 W CB 0.952 30.395 29.460 -0.027 0.000 1.310 187 W HN -0.085 nan 8.180 nan 0.000 0.551 188 G N 4.891 113.397 108.800 -0.490 0.000 3.383 188 G HA2 0.229 4.187 3.960 -0.003 0.000 0.251 188 G HA3 0.229 4.187 3.960 -0.003 0.000 0.251 188 G C 0.438 174.924 174.900 -0.690 0.000 1.203 188 G CA -0.220 44.631 45.100 -0.415 0.000 0.852 188 G HN 0.773 nan 8.290 nan 0.000 0.531 189 G N -0.038 107.809 108.800 -1.588 0.000 2.361 189 G HA2 0.271 4.229 3.960 -0.003 0.000 0.260 189 G HA3 0.271 4.229 3.960 -0.003 0.000 0.260 189 G C -0.430 174.090 174.900 -0.633 0.000 1.261 189 G CA -0.444 43.667 45.100 -1.647 0.000 0.897 189 G HN 0.400 nan 8.290 nan 0.000 0.499 190 H N 2.723 121.620 119.070 -0.289 0.000 3.092 190 H HA 0.339 4.894 4.556 -0.003 0.000 0.263 190 H C -0.183 175.216 175.328 0.118 0.000 1.611 190 H CA -0.284 55.724 56.048 -0.067 0.000 1.457 190 H CB -0.015 29.668 29.762 -0.131 0.000 1.731 190 H HN 0.137 nan 8.280 nan 0.000 0.532 191 V N 7.705 127.617 119.914 -0.002 0.000 2.350 191 V HA 0.214 4.332 4.120 -0.003 0.000 0.276 191 V C 0.642 176.792 176.094 0.094 0.000 1.028 191 V CA -0.452 61.842 62.300 -0.010 0.000 0.860 191 V CB 0.156 31.919 31.823 -0.100 0.000 0.990 191 V HN 0.669 nan 8.190 nan 0.000 0.453 192 I N 2.092 122.679 120.570 0.029 0.000 3.573 192 I HA 0.873 5.042 4.170 -0.003 0.000 0.285 192 I C 0.092 176.272 176.117 0.105 0.000 1.203 192 I CA -0.506 60.837 61.300 0.071 0.000 1.033 192 I CB 2.213 40.187 38.000 -0.043 0.000 1.348 192 I HN 0.487 nan 8.210 nan 0.000 0.525 193 T N -0.224 114.287 114.554 -0.072 0.000 2.773 193 T HA 0.847 5.195 4.350 -0.003 0.000 0.278 193 T C -1.368 173.374 174.700 0.070 0.000 1.011 193 T CA -0.366 61.666 62.100 -0.113 0.000 1.014 193 T CB 1.655 70.171 68.868 -0.587 0.000 1.293 193 T HN 1.076 nan 8.240 nan 0.000 0.554 194 A N 0.966 123.884 122.820 0.164 0.000 2.520 194 A HA 0.615 4.933 4.320 -0.003 0.000 0.298 194 A C -1.884 175.860 177.584 0.266 0.000 1.051 194 A CA -0.594 51.574 52.037 0.218 0.000 0.690 194 A CB 0.927 20.000 19.000 0.121 0.000 1.281 194 A HN 0.826 nan 8.150 nan 0.000 0.402 195 Y N 2.090 122.352 120.300 -0.063 0.000 2.531 195 Y HA 0.398 4.946 4.550 -0.003 0.000 0.347 195 Y C 0.833 176.556 175.900 -0.295 0.000 1.024 195 Y CA 0.646 58.469 58.100 -0.460 0.000 1.306 195 Y CB 0.349 38.450 38.460 -0.597 0.000 1.149 195 Y HN 0.627 nan 8.280 nan 0.000 0.527 196 R N 8.807 129.020 120.500 -0.478 0.000 2.402 196 R HA 0.293 4.632 4.340 -0.003 0.000 0.290 196 R C -2.507 173.564 176.300 -0.382 0.000 1.321 196 R CA -1.853 54.052 56.100 -0.325 0.000 1.283 196 R CB 0.794 31.010 30.300 -0.140 0.000 1.111 196 R HN 0.419 nan 8.270 nan 0.000 0.578 197 P HA 0.123 nan 4.420 nan 0.000 0.253 197 P C -0.390 176.902 177.300 -0.014 0.000 1.508 197 P CA -0.065 62.882 63.100 -0.255 0.000 0.883 197 P CB 0.529 32.188 31.700 -0.068 0.000 1.519 198 D N 1.000 121.423 120.400 0.038 0.000 2.144 198 D HA -0.112 4.526 4.640 -0.003 0.000 0.199 198 D C 2.100 178.449 176.300 0.081 0.000 0.984 198 D CA 1.460 55.544 54.000 0.141 0.000 0.834 198 D CB -0.520 40.372 40.800 0.154 0.000 0.955 198 D HN 0.162 nan 8.370 nan 0.000 0.465 199 A N 0.294 123.114 122.820 -0.000 0.000 2.014 199 A HA -0.047 4.271 4.320 -0.003 0.000 0.218 199 A C 2.017 179.514 177.584 -0.144 0.000 1.163 199 A CA 1.246 53.241 52.037 -0.070 0.000 0.652 199 A CB -0.255 18.645 19.000 -0.166 0.000 0.808 199 A HN 0.232 nan 8.150 nan 0.000 0.449 200 V N -3.966 115.801 119.914 -0.245 0.000 3.514 200 V HA 0.384 4.502 4.120 -0.003 0.000 0.301 200 V C 1.284 177.394 176.094 0.027 0.000 1.346 200 V CA 0.484 62.496 62.300 -0.481 0.000 1.156 200 V CB -0.524 30.750 31.823 -0.915 0.000 1.029 200 V HN 0.417 nan 8.190 nan 0.000 0.428 201 I N -0.673 120.008 120.570 0.185 0.000 3.873 201 I HA 0.302 4.470 4.170 -0.003 0.000 0.284 201 I C 0.543 176.895 176.117 0.391 0.000 1.186 201 I CA 0.151 61.717 61.300 0.442 0.000 1.362 201 I CB 0.513 38.695 38.000 0.303 0.000 1.432 201 I HN 0.213 nan 8.210 nan 0.000 0.454 202 D N 0.973 121.490 120.400 0.194 0.000 2.338 202 D HA 0.061 4.700 4.640 -0.003 0.000 0.255 202 D C 0.524 176.903 176.300 0.131 0.000 1.237 202 D CA 0.339 54.443 54.000 0.172 0.000 0.883 202 D CB 0.482 41.354 40.800 0.120 0.000 1.087 202 D HN 0.036 nan 8.370 nan 0.000 0.485 203 F N 1.627 121.677 119.950 0.167 0.000 2.615 203 F HA 0.076 4.601 4.527 -0.003 0.000 0.297 203 F C 2.045 177.867 175.800 0.037 0.000 1.124 203 F CA 0.381 58.427 58.000 0.076 0.000 1.451 203 F CB 0.322 39.293 39.000 -0.048 0.000 1.103 203 F HN 0.453 nan 8.300 nan 0.000 0.569 204 E N -0.567 119.754 120.200 0.200 0.000 2.435 204 E HA -0.100 4.249 4.350 -0.003 0.000 0.195 204 E C 0.280 176.933 176.600 0.088 0.000 1.029 204 E CA -0.039 56.431 56.400 0.117 0.000 0.865 204 E CB 0.005 29.756 29.700 0.085 0.000 0.833 204 E HN 0.129 nan 8.360 nan 0.000 0.510 205 D N 1.665 122.120 120.400 0.091 0.000 2.425 205 D HA -0.075 4.563 4.640 -0.003 0.000 0.247 205 D C 1.251 177.588 176.300 0.061 0.000 1.147 205 D CA 0.175 54.217 54.000 0.070 0.000 0.879 205 D CB 0.875 41.713 40.800 0.063 0.000 1.179 205 D HN 0.122 nan 8.370 nan 0.000 0.456 206 E N 4.127 124.358 120.200 0.052 0.000 2.208 206 E HA -0.196 4.152 4.350 -0.003 0.000 0.193 206 E C 1.120 177.745 176.600 0.041 0.000 0.988 206 E CA 0.625 57.052 56.400 0.045 0.000 0.828 206 E CB -0.167 29.558 29.700 0.040 0.000 0.763 206 E HN 0.575 nan 8.360 nan 0.000 0.478 207 R N 1.039 121.560 120.500 0.034 0.000 2.334 207 R HA 0.266 4.604 4.340 -0.003 0.000 0.220 207 R C 1.888 178.194 176.300 0.009 0.000 0.917 207 R CA 0.503 56.614 56.100 0.019 0.000 1.073 207 R CB -0.038 30.266 30.300 0.008 0.000 1.056 207 R HN -0.005 nan 8.270 nan 0.000 0.506 208 S N 2.551 118.275 115.700 0.041 0.000 2.348 208 S HA -0.023 4.446 4.470 -0.003 0.000 0.221 208 S C -0.540 174.183 174.600 0.205 0.000 1.033 208 S CA 0.941 59.196 58.200 0.092 0.000 1.010 208 S CB -0.538 62.705 63.200 0.073 0.000 0.891 208 S HN 0.297 nan 8.310 nan 0.000 0.442 209 P HA -0.110 nan 4.420 nan 0.000 0.218 209 P C 1.405 178.826 177.300 0.200 0.000 1.149 209 P CA 1.126 64.326 63.100 0.167 0.000 0.817 209 P CB -0.145 31.608 31.700 0.090 0.000 0.785 210 R N -0.009 120.564 120.500 0.121 0.000 2.119 210 R HA 0.068 4.406 4.340 -0.003 0.000 0.222 210 R C 2.289 178.630 176.300 0.069 0.000 1.088 210 R CA 1.168 57.325 56.100 0.096 0.000 0.984 210 R CB -0.573 29.759 30.300 0.054 0.000 0.884 210 R HN 0.048 nan 8.270 nan 0.000 0.447 211 A N -0.286 122.521 122.820 -0.022 0.000 2.014 211 A HA -0.071 4.248 4.320 -0.003 0.000 0.218 211 A C 1.740 179.287 177.584 -0.062 0.000 1.163 211 A CA 0.722 52.609 52.037 -0.250 0.000 0.652 211 A CB -0.464 18.182 19.000 -0.589 0.000 0.808 211 A HN 0.344 nan 8.150 nan 0.000 0.449 212 F N 0.399 120.356 119.950 0.012 0.000 2.234 212 F HA -0.097 4.428 4.527 -0.003 0.000 0.299 212 F C 2.414 178.291 175.800 0.130 0.000 1.087 212 F CA 1.762 59.818 58.000 0.093 0.000 1.340 212 F CB -0.062 38.970 39.000 0.053 0.000 1.031 212 F HN 0.316 nan 8.300 nan 0.000 0.500 213 E N 0.063 120.473 120.200 0.350 0.000 2.047 213 E HA -0.201 4.148 4.350 -0.003 0.000 0.191 213 E C 2.175 178.897 176.600 0.203 0.000 0.987 213 E CA 1.281 57.854 56.400 0.288 0.000 0.799 213 E CB -0.141 29.697 29.700 0.231 0.000 0.752 213 E HN 0.468 nan 8.360 nan 0.000 0.449 214 R N 0.097 120.707 120.500 0.184 0.000 2.240 214 R HA 0.017 4.356 4.340 -0.003 0.000 0.203 214 R C 2.094 178.536 176.300 0.238 0.000 1.011 214 R CA 0.469 56.678 56.100 0.181 0.000 1.007 214 R CB -0.490 29.916 30.300 0.176 0.000 0.911 214 R HN 0.193 nan 8.270 nan 0.000 0.468 215 F N 2.304 122.274 119.950 0.034 0.000 2.186 215 F HA -0.098 4.428 4.527 -0.003 0.000 0.299 215 F C 2.412 178.190 175.800 -0.036 0.000 1.090 215 F CA 0.932 58.909 58.000 -0.038 0.000 1.307 215 F CB 0.066 38.950 39.000 -0.192 0.000 1.019 215 F HN 0.127 nan 8.300 nan 0.000 0.489 216 A N 0.308 123.115 122.820 -0.022 0.000 1.930 216 A HA -0.193 4.125 4.320 -0.003 0.000 0.217 216 A C 1.936 179.506 177.584 -0.024 0.000 1.175 216 A CA 1.791 53.778 52.037 -0.083 0.000 0.627 216 A CB -0.702 18.327 19.000 0.048 0.000 0.815 216 A HN 0.540 nan 8.150 nan 0.000 0.443 217 E N -0.525 119.702 120.200 0.044 0.000 2.047 217 E HA -0.144 4.204 4.350 -0.003 0.000 0.191 217 E C 2.206 178.823 176.600 0.029 0.000 0.987 217 E CA 1.735 58.162 56.400 0.045 0.000 0.799 217 E CB -0.340 29.401 29.700 0.068 0.000 0.752 217 E HN 0.823 nan 8.360 nan 0.000 0.449 218 T N -1.298 113.287 114.554 0.052 0.000 3.023 218 T HA -0.045 4.304 4.350 -0.003 0.000 0.266 218 T C 2.021 176.733 174.700 0.020 0.000 1.093 218 T CA 1.116 63.250 62.100 0.057 0.000 1.129 218 T CB -0.003 68.937 68.868 0.120 0.000 0.899 218 T HN 0.142 nan 8.240 nan 0.000 0.491 219 S N 0.441 116.109 115.700 -0.053 0.000 2.499 219 S HA 0.458 4.927 4.470 -0.003 0.000 0.225 219 S C 1.853 176.393 174.600 -0.101 0.000 1.050 219 S CA 0.368 58.499 58.200 -0.116 0.000 0.928 219 S CB -0.567 62.447 63.200 -0.311 0.000 0.803 219 S HN 1.268 nan 8.310 nan 0.000 0.506 220 G N 1.597 110.343 108.800 -0.089 0.000 2.256 220 G HA2 -0.152 3.806 3.960 -0.003 0.000 0.272 220 G HA3 -0.152 3.806 3.960 -0.003 0.000 0.272 220 G C -0.330 174.529 174.900 -0.068 0.000 1.076 220 G CA 0.086 45.153 45.100 -0.055 0.000 0.882 220 G HN 0.535 nan 8.290 nan 0.000 0.497 221 Q N -0.681 119.052 119.800 -0.111 0.000 2.458 221 Q HA 0.398 4.736 4.340 -0.003 0.000 0.282 221 Q C -0.868 175.102 176.000 -0.051 0.000 1.106 221 Q CA -0.907 54.835 55.803 -0.103 0.000 0.814 221 Q CB 1.686 30.312 28.738 -0.187 0.000 1.425 221 Q HN 0.243 nan 8.270 nan 0.000 0.437 222 D N 0.899 121.307 120.400 0.013 0.000 2.416 222 D HA 0.089 4.728 4.640 -0.003 0.000 0.240 222 D C 0.567 176.942 176.300 0.125 0.000 1.250 222 D CA 0.139 54.202 54.000 0.105 0.000 0.967 222 D CB 0.392 41.273 40.800 0.136 0.000 1.059 222 D HN 0.179 nan 8.370 nan 0.000 0.512 223 V N 3.766 123.720 119.914 0.066 0.000 3.041 223 V HA -0.174 3.944 4.120 -0.003 0.000 0.260 223 V C 0.843 177.113 176.094 0.293 0.000 1.105 223 V CA 1.086 63.418 62.300 0.054 0.000 1.125 223 V CB -0.717 30.989 31.823 -0.196 0.000 0.730 223 V HN 0.592 nan 8.190 nan 0.000 0.479 224 Y N 0.270 120.832 120.300 0.437 0.000 2.470 224 Y HA 0.268 4.816 4.550 -0.003 0.000 0.284 224 Y C 1.145 177.329 175.900 0.474 0.000 1.188 224 Y CA 0.126 58.461 58.100 0.392 0.000 1.269 224 Y CB 0.069 38.633 38.460 0.172 0.000 1.094 224 Y HN 0.284 nan 8.280 nan 0.000 0.518 225 S N -1.432 114.636 115.700 0.614 0.000 2.536 225 S HA 0.098 4.566 4.470 -0.003 0.000 0.287 225 S C 0.507 175.352 174.600 0.409 0.000 1.101 225 S CA -1.028 57.507 58.200 0.557 0.000 0.950 225 S CB 0.681 64.078 63.200 0.330 0.000 1.056 225 S HN 0.513 nan 8.310 nan 0.000 0.481 226 W N 3.884 125.234 121.300 0.083 0.000 2.335 226 W HA -0.178 4.480 4.660 -0.003 0.000 0.311 226 W C 1.512 177.988 176.519 -0.071 0.000 1.213 226 W CA 1.814 58.960 57.345 -0.332 0.000 1.274 226 W CB -0.191 29.177 29.460 -0.153 0.000 1.148 226 W HN 0.870 nan 8.180 nan 0.000 0.498 227 K N 0.330 120.682 120.400 -0.080 0.000 2.097 227 K HA -0.155 4.163 4.320 -0.003 0.000 0.205 227 K C 2.291 178.790 176.600 -0.168 0.000 1.050 227 K CA 1.999 58.170 56.287 -0.193 0.000 0.938 227 K CB -0.207 32.287 32.500 -0.010 0.000 0.718 227 K HN 0.127 nan 8.250 nan 0.000 0.442 228 S N -0.758 114.906 115.700 -0.060 0.000 2.501 228 S HA -0.089 4.379 4.470 -0.003 0.000 0.220 228 S C 1.744 176.292 174.600 -0.086 0.000 0.997 228 S CA 0.003 58.167 58.200 -0.060 0.000 0.919 228 S CB -0.355 62.844 63.200 -0.002 0.000 0.778 228 S HN 0.412 nan 8.310 nan 0.000 0.523 229 Y N 2.686 122.871 120.300 -0.192 0.000 2.163 229 Y HA 0.098 4.646 4.550 -0.003 0.000 0.288 229 Y C 1.838 177.645 175.900 -0.155 0.000 1.136 229 Y CA 1.218 59.220 58.100 -0.163 0.000 1.147 229 Y CB -0.435 37.925 38.460 -0.167 0.000 0.987 229 Y HN 0.180 nan 8.280 nan 0.000 0.509 230 L N -0.005 120.999 121.223 -0.364 0.000 2.083 230 L HA -0.162 4.176 4.340 -0.003 0.000 0.209 230 L C 2.487 179.220 176.870 -0.227 0.000 1.083 230 L CA 1.299 55.915 54.840 -0.373 0.000 0.752 230 L CB -0.514 41.227 42.059 -0.530 0.000 0.899 230 L HN 0.227 nan 8.230 nan 0.000 0.433 231 E N 0.279 120.353 120.200 -0.210 0.000 2.106 231 E HA -0.147 4.202 4.350 -0.003 0.000 0.192 231 E C 2.261 178.764 176.600 -0.161 0.000 0.984 231 E CA 1.216 57.524 56.400 -0.153 0.000 0.806 231 E CB 0.013 29.637 29.700 -0.125 0.000 0.750 231 E HN 0.423 nan 8.360 nan 0.000 0.458 232 A N 1.112 123.778 122.820 -0.257 0.000 1.902 232 A HA -0.204 4.114 4.320 -0.003 0.000 0.217 232 A C 1.988 179.484 177.584 -0.147 0.000 1.181 232 A CA 1.379 53.188 52.037 -0.381 0.000 0.623 232 A CB -0.718 17.754 19.000 -0.879 0.000 0.818 232 A HN 0.265 nan 8.150 nan 0.000 0.443 233 H N -0.320 118.739 119.070 -0.018 0.000 2.321 233 H HA -0.063 4.492 4.556 -0.003 0.000 0.300 233 H C 2.353 177.621 175.328 -0.099 0.000 1.087 233 H CA 1.818 57.900 56.048 0.057 0.000 1.319 233 H CB -0.164 29.532 29.762 -0.109 0.000 1.379 233 H HN 0.478 nan 8.280 nan 0.000 0.501 234 R N 0.203 120.693 120.500 -0.018 0.000 2.096 234 R HA -0.083 4.256 4.340 -0.003 0.000 0.235 234 R C 2.618 178.875 176.300 -0.071 0.000 1.127 234 R CA 0.834 56.883 56.100 -0.086 0.000 0.968 234 R CB -0.200 30.048 30.300 -0.087 0.000 0.861 234 R HN 0.239 nan 8.270 nan 0.000 0.440 235 L N 0.042 121.238 121.223 -0.044 0.000 2.109 235 L HA -0.106 4.232 4.340 -0.003 0.000 0.207 235 L C 2.543 179.435 176.870 0.035 0.000 1.086 235 L CA 0.924 55.752 54.840 -0.019 0.000 0.760 235 L CB -0.239 41.798 42.059 -0.035 0.000 0.910 235 L HN 0.043 nan 8.230 nan 0.000 0.437 236 R N 0.191 120.746 120.500 0.092 0.000 2.090 236 R HA -0.058 4.281 4.340 -0.003 0.000 0.228 236 R C 2.276 178.681 176.300 0.176 0.000 1.110 236 R CA 1.007 57.250 56.100 0.238 0.000 0.973 236 R CB -0.524 30.026 30.300 0.416 0.000 0.869 236 R HN 0.336 nan 8.270 nan 0.000 0.440 237 R N 0.246 120.632 120.500 -0.189 0.000 2.120 237 R HA -0.147 4.191 4.340 -0.003 0.000 0.234 237 R C 2.198 178.443 176.300 -0.091 0.000 1.123 237 R CA 1.261 57.098 56.100 -0.438 0.000 0.975 237 R CB -0.090 29.852 30.300 -0.596 0.000 0.866 237 R HN 0.074 nan 8.270 nan 0.000 0.446 238 Q N 0.258 120.043 119.800 -0.026 0.000 2.083 238 Q HA -0.009 4.329 4.340 -0.003 0.000 0.198 238 Q C 1.888 177.929 176.000 0.068 0.000 0.969 238 Q CA 1.809 57.620 55.803 0.014 0.000 0.838 238 Q CB -0.157 28.579 28.738 -0.002 0.000 0.900 238 Q HN 0.329 nan 8.270 nan 0.000 0.436 239 A N -0.774 122.114 122.820 0.113 0.000 1.972 239 A HA -0.137 4.181 4.320 -0.003 0.000 0.219 239 A C 1.770 179.410 177.584 0.092 0.000 1.169 239 A CA 1.232 53.330 52.037 0.100 0.000 0.635 239 A CB -0.762 18.310 19.000 0.120 0.000 0.810 239 A HN 0.427 nan 8.150 nan 0.000 0.446 240 F N -0.113 119.825 119.950 -0.020 0.000 2.163 240 F HA -0.026 4.500 4.527 -0.003 0.000 0.297 240 F C 2.114 177.898 175.800 -0.028 0.000 1.094 240 F CA 1.092 59.076 58.000 -0.026 0.000 1.290 240 F CB -0.400 38.624 39.000 0.040 0.000 1.017 240 F HN 0.108 nan 8.300 nan 0.000 0.483 241 I N -0.194 120.472 120.570 0.160 0.000 2.286 241 I HA -0.281 3.887 4.170 -0.003 0.000 0.248 241 I C 1.816 177.985 176.117 0.086 0.000 1.115 241 I CA 1.195 62.555 61.300 0.100 0.000 1.392 241 I CB -0.497 37.539 38.000 0.061 0.000 1.065 241 I HN 0.040 nan 8.210 nan 0.000 0.418 242 D N 1.301 121.735 120.400 0.057 0.000 2.144 242 D HA -0.128 4.510 4.640 -0.003 0.000 0.199 242 D C 2.078 178.389 176.300 0.018 0.000 0.984 242 D CA 1.469 55.492 54.000 0.038 0.000 0.834 242 D CB -0.108 40.693 40.800 0.002 0.000 0.955 242 D HN 0.359 nan 8.370 nan 0.000 0.465 243 A N -0.624 122.168 122.820 -0.047 0.000 2.238 243 A HA 0.435 4.753 4.320 -0.003 0.000 0.208 243 A C 1.715 179.322 177.584 0.039 0.000 1.177 243 A CA 1.044 53.009 52.037 -0.120 0.000 0.804 243 A CB -0.145 18.657 19.000 -0.329 0.000 0.823 243 A HN 0.260 nan 8.150 nan 0.000 0.482 244 G N -2.099 106.794 108.800 0.154 0.000 2.176 244 G HA2 0.117 4.075 3.960 -0.003 0.000 0.232 244 G HA3 0.117 4.075 3.960 -0.003 0.000 0.232 244 G C 0.443 175.436 174.900 0.156 0.000 0.986 244 G CA 0.104 45.355 45.100 0.252 0.000 0.643 244 G HN 1.572 nan 8.290 nan 0.000 0.522 245 A N 0.462 123.350 122.820 0.114 0.000 2.511 245 A HA 0.621 4.940 4.320 -0.003 0.000 0.242 245 A C 1.451 179.116 177.584 0.134 0.000 1.069 245 A CA 1.729 53.847 52.037 0.136 0.000 0.763 245 A CB 0.268 19.402 19.000 0.224 0.000 1.001 245 A HN 1.537 nan 8.150 nan 0.000 0.498 246 T N -1.360 113.278 114.554 0.141 0.000 3.043 246 T HA 0.398 4.747 4.350 -0.003 0.000 0.272 246 T C 0.437 175.214 174.700 0.129 0.000 0.990 246 T CA 0.485 62.663 62.100 0.130 0.000 0.897 246 T CB -0.045 68.917 68.868 0.157 0.000 1.111 246 T HN 0.746 nan 8.240 nan 0.000 0.529 247 S N 1.340 117.127 115.700 0.145 0.000 2.548 247 S HA 0.716 5.185 4.470 -0.003 0.000 0.286 247 S C -0.732 173.917 174.600 0.081 0.000 1.098 247 S CA -0.450 57.832 58.200 0.136 0.000 0.930 247 S CB 1.825 65.177 63.200 0.253 0.000 1.070 247 S HN 0.634 nan 8.310 nan 0.000 0.480 248 S N 2.034 117.740 115.700 0.011 0.000 2.568 248 S HA 0.745 5.214 4.470 -0.003 0.000 0.302 248 S C -1.418 173.017 174.600 -0.274 0.000 1.082 248 S CA -0.662 57.484 58.200 -0.089 0.000 1.009 248 S CB 1.696 64.863 63.200 -0.055 0.000 1.069 248 S HN 0.683 nan 8.310 nan 0.000 0.500 249 D N -0.171 119.962 120.400 -0.446 0.000 2.649 249 D HA 0.384 5.023 4.640 -0.003 0.000 0.249 249 D C -1.516 174.414 176.300 -0.617 0.000 1.112 249 D CA -0.398 53.356 54.000 -0.410 0.000 0.850 249 D CB 1.039 41.742 40.800 -0.162 0.000 1.399 249 D HN 0.649 nan 8.370 nan 0.000 0.503 250 H N 2.424 121.449 119.070 -0.074 0.000 2.991 250 H HA 0.422 4.977 4.556 -0.003 0.000 0.304 250 H C 0.096 175.326 175.328 -0.163 0.000 1.040 250 H CA -0.727 55.192 56.048 -0.215 0.000 1.410 250 H CB 1.623 31.144 29.762 -0.402 0.000 1.529 250 H HN 0.488 nan 8.280 nan 0.000 0.509 251 G N 2.975 111.814 108.800 0.064 0.000 3.860 251 G HA2 0.108 4.066 3.960 -0.003 0.000 0.269 251 G HA3 0.108 4.066 3.960 -0.003 0.000 0.269 251 G C -0.022 175.068 174.900 0.316 0.000 1.112 251 G CA -0.326 44.895 45.100 0.203 0.000 1.674 251 G HN 0.602 nan 8.290 nan 0.000 0.628 252 H N 0.825 120.025 119.070 0.217 0.000 2.551 252 H HA 0.099 4.653 4.556 -0.003 0.000 0.358 252 H C -1.355 174.076 175.328 0.172 0.000 1.151 252 H CA -1.960 54.190 56.048 0.170 0.000 1.374 252 H CB 2.095 31.936 29.762 0.130 0.000 1.473 252 H HN 0.092 nan 8.280 nan 0.000 0.574 253 P HA -0.075 nan 4.420 nan 0.000 0.222 253 P C -0.324 177.058 177.300 0.137 0.000 1.147 253 P CA 1.277 64.474 63.100 0.162 0.000 0.790 253 P CB 0.438 32.187 31.700 0.082 0.000 0.780 254 T N -1.975 112.665 114.554 0.144 0.000 2.883 254 T HA 0.549 4.897 4.350 -0.003 0.000 0.301 254 T C 0.375 175.125 174.700 0.083 0.000 1.158 254 T CA -0.435 61.707 62.100 0.070 0.000 1.007 254 T CB 2.042 70.934 68.868 0.040 0.000 1.186 254 T HN -0.249 nan 8.240 nan 0.000 0.499 255 A N 0.635 123.435 122.820 -0.033 0.000 2.337 255 A HA 0.651 4.970 4.320 -0.003 0.000 0.227 255 A C 1.185 178.777 177.584 0.012 0.000 1.259 255 A CA -0.111 51.912 52.037 -0.024 0.000 0.870 255 A CB -0.741 18.119 19.000 -0.234 0.000 0.927 255 A HN 1.058 nan 8.150 nan 0.000 0.497 256 A N 0.893 123.726 122.820 0.022 0.000 2.511 256 A HA 0.478 4.796 4.320 -0.003 0.000 0.242 256 A C 0.849 178.458 177.584 0.042 0.000 1.069 256 A CA 0.848 52.899 52.037 0.024 0.000 0.763 256 A CB -0.304 18.709 19.000 0.022 0.000 1.001 256 A HN 0.830 nan 8.150 nan 0.000 0.498 257 T N -1.012 113.557 114.554 0.025 0.000 2.926 257 T HA 0.871 5.219 4.350 -0.003 0.000 0.289 257 T C -0.356 174.352 174.700 0.013 0.000 1.054 257 T CA -0.153 61.958 62.100 0.018 0.000 1.015 257 T CB 1.900 70.772 68.868 0.007 0.000 1.167 257 T HN 1.984 nan 8.240 nan 0.000 0.526 258 A N 0.161 122.987 122.820 0.010 0.000 2.594 258 A HA 0.729 5.047 4.320 -0.003 0.000 0.291 258 A C -1.466 176.126 177.584 0.015 0.000 1.105 258 A CA -0.706 51.339 52.037 0.013 0.000 0.694 258 A CB 1.879 20.889 19.000 0.016 0.000 1.291 258 A HN 0.771 nan 8.150 nan 0.000 0.410 259 D N 1.321 121.732 120.400 0.018 0.000 2.613 259 D HA 0.406 5.044 4.640 -0.003 0.000 0.312 259 D C -0.700 175.615 176.300 0.025 0.000 1.202 259 D CA 0.028 54.042 54.000 0.023 0.000 0.825 259 D CB -0.046 40.766 40.800 0.021 0.000 1.113 259 D HN 0.452 nan 8.370 nan 0.000 0.502 260 L N 0.976 122.215 121.223 0.026 0.000 2.417 260 L HA 0.313 4.652 4.340 -0.003 0.000 0.268 260 L C 1.306 178.196 176.870 0.032 0.000 1.158 260 L CA -0.622 54.229 54.840 0.019 0.000 0.819 260 L CB 1.058 43.118 42.059 0.002 0.000 1.112 260 L HN 0.235 nan 8.230 nan 0.000 0.458 261 S N -0.001 115.714 115.700 0.024 0.000 2.589 261 S HA 0.017 4.485 4.470 -0.003 0.000 0.265 261 S C 0.688 175.318 174.600 0.050 0.000 1.342 261 S CA -0.693 57.530 58.200 0.039 0.000 1.005 261 S CB 0.858 64.075 63.200 0.028 0.000 0.909 261 S HN 0.608 nan 8.310 nan 0.000 0.555 262 D N 0.730 121.185 120.400 0.091 0.000 2.190 262 D HA -0.097 4.541 4.640 -0.003 0.000 0.200 262 D C 1.807 178.151 176.300 0.074 0.000 0.992 262 D CA 0.898 54.993 54.000 0.159 0.000 0.854 262 D CB -0.283 40.626 40.800 0.182 0.000 0.936 262 D HN 0.349 nan 8.370 nan 0.000 0.462 263 V N 0.691 120.623 119.914 0.031 0.000 2.535 263 V HA -0.127 3.991 4.120 -0.003 0.000 0.246 263 V C 2.073 178.131 176.094 -0.060 0.000 1.045 263 V CA 1.267 63.565 62.300 -0.003 0.000 1.058 263 V CB -0.052 31.782 31.823 0.019 0.000 0.689 263 V HN 0.105 nan 8.190 nan 0.000 0.461 264 E N 0.185 120.352 120.200 -0.056 0.000 2.152 264 E HA -0.111 4.237 4.350 -0.003 0.000 0.192 264 E C 2.241 178.757 176.600 -0.141 0.000 0.983 264 E CA 1.142 57.498 56.400 -0.073 0.000 0.818 264 E CB -0.244 29.433 29.700 -0.039 0.000 0.758 264 E HN 0.607 nan 8.360 nan 0.000 0.467 265 A N 1.391 124.085 122.820 -0.210 0.000 1.873 265 A HA -0.236 4.082 4.320 -0.003 0.000 0.215 265 A C 2.067 179.166 177.584 -0.808 0.000 1.186 265 A CA 1.549 53.328 52.037 -0.430 0.000 0.616 265 A CB -0.399 18.369 19.000 -0.387 0.000 0.823 265 A HN 0.222 nan 8.150 nan 0.000 0.442 266 E N -0.080 119.613 120.200 -0.846 0.000 2.051 266 E HA -0.131 4.217 4.350 -0.003 0.000 0.192 266 E C 2.140 178.622 176.600 -0.196 0.000 0.991 266 E CA 1.154 57.185 56.400 -0.616 0.000 0.799 266 E CB -0.296 29.259 29.700 -0.241 0.000 0.748 266 E HN 0.522 nan 8.360 nan 0.000 0.449 267 A N 0.969 123.697 122.820 -0.154 0.000 1.892 267 A HA -0.226 4.092 4.320 -0.003 0.000 0.218 267 A C 2.172 179.686 177.584 -0.117 0.000 1.188 267 A CA 1.681 53.659 52.037 -0.097 0.000 0.631 267 A CB -0.852 18.100 19.000 -0.079 0.000 0.822 267 A HN 0.406 nan 8.150 nan 0.000 0.447 268 L N -1.684 119.460 121.223 -0.133 0.000 2.017 268 L HA -0.072 4.266 4.340 -0.003 0.000 0.208 268 L C 2.245 178.999 176.870 -0.194 0.000 1.073 268 L CA 2.298 57.061 54.840 -0.128 0.000 0.745 268 L CB -0.735 41.295 42.059 -0.048 0.000 0.894 268 L HN 0.454 nan 8.230 nan 0.000 0.432 269 F N 0.495 120.253 119.950 -0.321 0.000 2.095 269 F HA -0.278 4.247 4.527 -0.003 0.000 0.298 269 F C 2.202 177.824 175.800 -0.296 0.000 1.104 269 F CA 2.252 60.048 58.000 -0.339 0.000 1.232 269 F CB -0.402 38.529 39.000 -0.116 0.000 0.987 269 F HN 0.263 nan 8.300 nan 0.000 0.475 270 N N -0.801 117.828 118.700 -0.119 0.000 2.149 270 N HA -0.242 4.496 4.740 -0.003 0.000 0.188 270 N C 1.968 177.305 175.510 -0.287 0.000 1.019 270 N CA 1.244 54.195 53.050 -0.165 0.000 0.857 270 N CB -0.313 38.158 38.487 -0.027 0.000 0.997 270 N HN 0.265 nan 8.380 nan 0.000 0.426 271 S N 0.498 116.021 115.700 -0.295 0.000 2.406 271 S HA 0.043 4.511 4.470 -0.003 0.000 0.228 271 S C 1.790 176.124 174.600 -0.443 0.000 1.020 271 S CA 0.622 58.642 58.200 -0.299 0.000 0.965 271 S CB -0.059 63.000 63.200 -0.235 0.000 0.798 271 S HN 0.203 nan 8.310 nan 0.000 0.488 272 L N 0.762 121.567 121.223 -0.697 0.000 2.131 272 L HA 0.055 4.394 4.340 -0.003 0.000 0.206 272 L C 2.399 178.629 176.870 -1.068 0.000 1.087 272 L CA 0.553 54.739 54.840 -1.091 0.000 0.767 272 L CB -0.374 40.584 42.059 -1.834 0.000 0.917 272 L HN 0.188 nan 8.230 nan 0.000 0.441 273 V N -0.362 119.010 119.914 -0.904 0.000 2.515 273 V HA -0.232 3.886 4.120 -0.003 0.000 0.250 273 V C 2.545 178.439 176.094 -0.333 0.000 1.058 273 V CA 1.390 63.368 62.300 -0.537 0.000 1.064 273 V CB -0.544 30.963 31.823 -0.527 0.000 0.675 273 V HN 0.362 nan 8.190 nan 0.000 0.461 274 K N -0.100 120.108 120.400 -0.320 0.000 2.147 274 K HA -0.093 4.226 4.320 -0.003 0.000 0.205 274 K C 1.682 178.161 176.600 -0.201 0.000 1.049 274 K CA 1.291 57.447 56.287 -0.220 0.000 0.936 274 K CB -0.210 32.174 32.500 -0.193 0.000 0.722 274 K HN 0.642 nan 8.250 nan 0.000 0.446 275 G N 1.417 110.069 108.800 -0.246 0.000 2.205 275 G HA2 -0.178 3.780 3.960 -0.003 0.000 0.180 275 G HA3 -0.178 3.780 3.960 -0.003 0.000 0.180 275 G C -0.195 174.599 174.900 -0.178 0.000 1.004 275 G CA 0.069 45.055 45.100 -0.189 0.000 0.670 275 G HN 0.290 nan 8.290 nan 0.000 0.496 276 D N 1.757 122.031 120.400 -0.210 0.000 2.713 276 D HA 0.404 5.042 4.640 -0.003 0.000 0.229 276 D C 0.644 176.823 176.300 -0.201 0.000 1.136 276 D CA -0.082 53.813 54.000 -0.174 0.000 1.010 276 D CB 0.085 40.791 40.800 -0.157 0.000 1.084 276 D HN 0.141 nan 8.370 nan 0.000 0.495 277 V N 2.845 122.651 119.914 -0.179 0.000 2.372 277 V HA 0.246 4.364 4.120 -0.003 0.000 0.261 277 V C 0.913 176.952 176.094 -0.092 0.000 1.055 277 V CA -0.311 61.892 62.300 -0.161 0.000 0.930 277 V CB 0.579 32.337 31.823 -0.107 0.000 1.031 277 V HN 0.499 nan 8.190 nan 0.000 0.479 278 T N 3.052 117.553 114.554 -0.087 0.000 2.918 278 T HA 0.477 4.826 4.350 -0.003 0.000 0.286 278 T C -1.873 172.810 174.700 -0.028 0.000 1.026 278 T CA -2.231 59.839 62.100 -0.051 0.000 1.031 278 T CB 2.157 70.994 68.868 -0.051 0.000 1.046 278 T HN 0.289 nan 8.240 nan 0.000 0.479 279 P HA -0.125 nan 4.420 nan 0.000 0.217 279 P C 1.073 178.377 177.300 0.007 0.000 1.151 279 P CA 1.192 64.294 63.100 0.003 0.000 0.849 279 P CB 0.101 31.802 31.700 0.002 0.000 0.787 280 E N -0.420 119.779 120.200 -0.003 0.000 2.072 280 E HA -0.131 4.217 4.350 -0.003 0.000 0.191 280 E C 1.909 178.513 176.600 0.006 0.000 0.985 280 E CA 1.173 57.574 56.400 0.001 0.000 0.801 280 E CB -0.541 29.155 29.700 -0.007 0.000 0.750 280 E HN 0.263 nan 8.360 nan 0.000 0.452 281 K N 0.289 120.680 120.400 -0.014 0.000 2.057 281 K HA 0.009 4.328 4.320 -0.003 0.000 0.206 281 K C 2.206 178.824 176.600 0.030 0.000 1.050 281 K CA 1.017 57.290 56.287 -0.023 0.000 0.935 281 K CB -0.168 32.274 32.500 -0.096 0.000 0.715 281 K HN 0.113 nan 8.250 nan 0.000 0.439 282 A N 1.684 124.524 122.820 0.034 0.000 1.908 282 A HA -0.208 4.111 4.320 -0.003 0.000 0.218 282 A C 2.048 179.722 177.584 0.151 0.000 1.181 282 A CA 1.473 53.586 52.037 0.126 0.000 0.627 282 A CB -0.354 18.711 19.000 0.109 0.000 0.818 282 A HN 0.178 nan 8.150 nan 0.000 0.445 283 E N -0.197 120.052 120.200 0.081 0.000 2.058 283 E HA -0.163 4.185 4.350 -0.003 0.000 0.194 283 E C 2.030 178.670 176.600 0.067 0.000 0.997 283 E CA 0.937 57.371 56.400 0.056 0.000 0.801 283 E CB -0.411 29.310 29.700 0.034 0.000 0.746 283 E HN 0.617 nan 8.360 nan 0.000 0.450 284 L N -0.123 121.149 121.223 0.080 0.000 2.141 284 L HA -0.169 4.169 4.340 -0.003 0.000 0.209 284 L C 2.383 179.332 176.870 0.132 0.000 1.094 284 L CA 0.901 55.789 54.840 0.080 0.000 0.763 284 L CB -0.240 41.856 42.059 0.061 0.000 0.908 284 L HN 0.105 nan 8.230 nan 0.000 0.437 285 F N 0.757 120.732 119.950 0.042 0.000 2.128 285 F HA -0.163 4.363 4.527 -0.003 0.000 0.295 285 F C 2.662 178.531 175.800 0.116 0.000 1.100 285 F CA 1.340 59.406 58.000 0.109 0.000 1.260 285 F CB -0.211 38.899 39.000 0.184 0.000 1.009 285 F HN -0.100 nan 8.300 nan 0.000 0.476 286 R N 0.210 120.741 120.500 0.052 0.000 2.091 286 R HA -0.173 4.165 4.340 -0.003 0.000 0.238 286 R C 2.421 178.646 176.300 -0.126 0.000 1.136 286 R CA 1.283 57.252 56.100 -0.217 0.000 0.959 286 R CB -0.993 29.084 30.300 -0.371 0.000 0.856 286 R HN 0.396 nan 8.270 nan 0.000 0.437 287 A N 1.022 123.823 122.820 -0.032 0.000 1.883 287 A HA -0.270 4.048 4.320 -0.003 0.000 0.217 287 A C 2.147 179.723 177.584 -0.014 0.000 1.186 287 A CA 1.665 53.707 52.037 0.009 0.000 0.624 287 A CB -0.488 18.525 19.000 0.021 0.000 0.822 287 A HN 0.229 nan 8.150 nan 0.000 0.444 288 Q N -1.276 118.501 119.800 -0.039 0.000 2.119 288 Q HA -0.070 4.268 4.340 -0.003 0.000 0.201 288 Q C 1.917 177.879 176.000 -0.063 0.000 0.972 288 Q CA 1.635 57.418 55.803 -0.033 0.000 0.847 288 Q CB -0.308 28.425 28.738 -0.009 0.000 0.903 288 Q HN 0.492 nan 8.270 nan 0.000 0.433 289 M N -0.388 119.104 119.600 -0.179 0.000 2.296 289 M HA -0.070 4.408 4.480 -0.003 0.000 0.265 289 M C 1.906 178.121 176.300 -0.143 0.000 1.064 289 M CA 1.035 56.228 55.300 -0.178 0.000 1.109 289 M CB -0.806 31.620 32.600 -0.291 0.000 1.396 289 M HN 0.295 nan 8.290 nan 0.000 0.430 290 L N -0.567 120.598 121.223 -0.097 0.000 2.017 290 L HA -0.230 4.108 4.340 -0.003 0.000 0.208 290 L C 2.264 179.061 176.870 -0.122 0.000 1.073 290 L CA 1.499 56.243 54.840 -0.160 0.000 0.745 290 L CB -1.007 41.013 42.059 -0.066 0.000 0.894 290 L HN 0.286 nan 8.230 nan 0.000 0.432 291 T N -1.428 113.090 114.554 -0.061 0.000 2.833 291 T HA -0.197 4.152 4.350 -0.003 0.000 0.269 291 T C 1.728 176.407 174.700 -0.035 0.000 1.054 291 T CA 1.191 63.270 62.100 -0.035 0.000 1.135 291 T CB -0.081 68.784 68.868 -0.006 0.000 0.869 291 T HN 0.194 nan 8.240 nan 0.000 0.466 292 E N 0.642 120.819 120.200 -0.038 0.000 2.072 292 E HA 0.025 4.374 4.350 -0.003 0.000 0.190 292 E C 2.168 178.709 176.600 -0.098 0.000 0.982 292 E CA 0.770 57.147 56.400 -0.038 0.000 0.803 292 E CB -0.190 29.508 29.700 -0.004 0.000 0.755 292 E HN 0.263 nan 8.360 nan 0.000 0.453 293 M N -0.216 119.300 119.600 -0.140 0.000 2.159 293 M HA -0.077 4.402 4.480 -0.003 0.000 0.263 293 M C 2.267 178.521 176.300 -0.076 0.000 1.063 293 M CA 1.485 56.706 55.300 -0.131 0.000 1.110 293 M CB -1.032 31.471 32.600 -0.161 0.000 1.374 293 M HN 0.185 nan 8.290 nan 0.000 0.411 294 A N 0.228 123.007 122.820 -0.069 0.000 1.902 294 A HA -0.170 4.148 4.320 -0.003 0.000 0.217 294 A C 2.297 179.858 177.584 -0.039 0.000 1.181 294 A CA 1.623 53.634 52.037 -0.042 0.000 0.623 294 A CB -0.532 18.445 19.000 -0.039 0.000 0.818 294 A HN 0.446 nan 8.150 nan 0.000 0.443 295 K N -1.112 119.265 120.400 -0.040 0.000 2.148 295 K HA -0.021 4.297 4.320 -0.003 0.000 0.204 295 K C 2.045 178.617 176.600 -0.047 0.000 1.050 295 K CA 1.483 57.750 56.287 -0.033 0.000 0.942 295 K CB -0.226 32.263 32.500 -0.020 0.000 0.724 295 K HN 0.513 nan 8.250 nan 0.000 0.446 296 M N -0.080 119.479 119.600 -0.069 0.000 2.175 296 M HA -0.135 4.343 4.480 -0.003 0.000 0.264 296 M C 2.098 178.353 176.300 -0.076 0.000 1.063 296 M CA 1.290 56.538 55.300 -0.086 0.000 1.119 296 M CB 0.011 32.536 32.600 -0.125 0.000 1.377 296 M HN -0.019 nan 8.290 nan 0.000 0.415 297 S N 0.643 116.305 115.700 -0.063 0.000 2.419 297 S HA -0.079 4.389 4.470 -0.003 0.000 0.233 297 S C 1.665 176.243 174.600 -0.037 0.000 1.016 297 S CA 0.866 59.037 58.200 -0.049 0.000 0.974 297 S CB -0.212 62.969 63.200 -0.032 0.000 0.786 297 S HN 0.242 nan 8.310 nan 0.000 0.492 298 L N 1.486 122.689 121.223 -0.034 0.000 2.131 298 L HA -0.079 4.260 4.340 -0.003 0.000 0.210 298 L C 1.847 178.702 176.870 -0.026 0.000 1.092 298 L CA 1.550 56.375 54.840 -0.025 0.000 0.759 298 L CB -0.425 41.622 42.059 -0.020 0.000 0.903 298 L HN 0.196 nan 8.230 nan 0.000 0.435 299 D N -0.893 119.487 120.400 -0.034 0.000 2.320 299 D HA -0.094 4.544 4.640 -0.003 0.000 0.228 299 D C 1.489 177.769 176.300 -0.033 0.000 0.978 299 D CA 1.346 55.327 54.000 -0.033 0.000 0.905 299 D CB -0.111 40.666 40.800 -0.039 0.000 1.051 299 D HN 0.432 nan 8.370 nan 0.000 0.471 300 D N -0.692 119.681 120.400 -0.045 0.000 2.348 300 D HA 0.113 4.752 4.640 -0.003 0.000 0.211 300 D C 1.484 177.765 176.300 -0.032 0.000 0.998 300 D CA 0.899 54.872 54.000 -0.044 0.000 0.873 300 D CB -0.085 40.674 40.800 -0.068 0.000 0.925 300 D HN 0.256 nan 8.370 nan 0.000 0.524 301 G N -0.172 108.609 108.800 -0.031 0.000 2.143 301 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.249 301 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.249 301 G C -0.107 174.783 174.900 -0.016 0.000 0.981 301 G CA 0.116 45.204 45.100 -0.020 0.000 0.665 301 G HN 0.336 nan 8.290 nan 0.000 0.528 302 L N 0.686 121.892 121.223 -0.027 0.000 2.456 302 L HA 0.442 4.780 4.340 -0.003 0.000 0.272 302 L C 1.020 177.881 176.870 -0.016 0.000 1.189 302 L CA -0.243 54.586 54.840 -0.018 0.000 0.846 302 L CB 1.377 43.408 42.059 -0.046 0.000 1.111 302 L HN 0.058 nan 8.230 nan 0.000 0.475 303 V N 5.115 125.022 119.914 -0.010 0.000 2.465 303 V HA 0.278 4.397 4.120 -0.003 0.000 0.279 303 V C 0.340 176.417 176.094 -0.028 0.000 1.045 303 V CA -0.466 61.806 62.300 -0.047 0.000 0.938 303 V CB 1.144 32.896 31.823 -0.118 0.000 0.986 303 V HN 0.756 nan 8.190 nan 0.000 0.467 304 M N 5.106 124.694 119.600 -0.020 0.000 2.063 304 M HA 0.366 4.845 4.480 -0.003 0.000 0.348 304 M C -0.361 175.956 176.300 0.029 0.000 1.180 304 M CA -0.156 55.166 55.300 0.038 0.000 1.059 304 M CB 0.498 33.147 32.600 0.081 0.000 1.544 304 M HN 0.683 nan 8.290 nan 0.000 0.447 305 Q N 5.478 125.284 119.800 0.010 0.000 2.303 305 Q HA 0.469 4.807 4.340 -0.003 0.000 0.257 305 Q C -1.077 174.943 176.000 0.033 0.000 0.941 305 Q CA -0.180 55.639 55.803 0.026 0.000 0.931 305 Q CB 1.657 30.390 28.738 -0.007 0.000 1.215 305 Q HN 0.721 nan 8.270 nan 0.000 0.437 306 I N 2.824 123.429 120.570 0.057 0.000 2.312 306 I HA 0.179 4.348 4.170 -0.003 0.000 0.290 306 I C -0.427 175.672 176.117 -0.030 0.000 1.008 306 I CA -0.560 60.782 61.300 0.070 0.000 1.226 306 I CB 0.633 38.706 38.000 0.121 0.000 1.371 306 I HN 0.593 nan 8.210 nan 0.000 0.468 307 H N 6.651 125.670 119.070 -0.086 0.000 2.410 307 H HA 0.304 4.859 4.556 -0.003 0.000 0.232 307 H C -2.380 173.052 175.328 0.173 0.000 1.535 307 H CA -1.494 54.386 56.048 -0.281 0.000 1.310 307 H CB 0.289 29.599 29.762 -0.753 0.000 1.518 307 H HN 0.374 nan 8.280 nan 0.000 0.545 308 P HA 0.316 nan 4.420 nan 0.000 0.284 308 P C 0.863 178.465 177.300 0.503 0.000 1.287 308 P CA -0.272 63.071 63.100 0.405 0.000 0.824 308 P CB 1.749 33.594 31.700 0.241 0.000 1.180 309 G N -1.394 107.606 108.800 0.333 0.000 2.201 309 G HA2 -0.199 3.759 3.960 -0.003 0.000 0.212 309 G HA3 -0.199 3.759 3.960 -0.003 0.000 0.212 309 G C 0.240 175.253 174.900 0.188 0.000 0.994 309 G CA 0.154 45.398 45.100 0.240 0.000 0.644 309 G HN 0.767 nan 8.290 nan 0.000 0.508 310 S N 0.955 116.795 115.700 0.234 0.000 2.448 310 S HA 0.415 4.883 4.470 -0.003 0.000 0.279 310 S C 0.363 175.054 174.600 0.152 0.000 1.195 310 S CA -0.448 57.834 58.200 0.136 0.000 1.051 310 S CB 0.188 63.510 63.200 0.204 0.000 0.948 310 S HN 0.385 nan 8.310 nan 0.000 0.493 311 H N 6.900 125.987 119.070 0.028 0.000 3.224 311 H HA 0.185 4.739 4.556 -0.003 0.000 0.265 311 H C 0.296 175.670 175.328 0.075 0.000 1.461 311 H CA -0.056 56.030 56.048 0.064 0.000 1.509 311 H CB -0.275 29.528 29.762 0.068 0.000 1.686 311 H HN 0.602 nan 8.280 nan 0.000 0.514 312 R N 3.262 123.878 120.500 0.193 0.000 2.594 312 R HA 0.012 4.350 4.340 -0.003 0.000 0.272 312 R C 0.516 176.951 176.300 0.225 0.000 1.074 312 R CA -0.494 55.721 56.100 0.193 0.000 1.105 312 R CB 0.445 30.838 30.300 0.156 0.000 1.008 312 R HN 0.713 nan 8.270 nan 0.000 0.472 313 N N 1.643 120.457 118.700 0.189 0.000 2.727 313 N HA -0.234 4.505 4.740 -0.003 0.000 0.251 313 N C 0.549 176.180 175.510 0.202 0.000 1.040 313 N CA 0.685 53.831 53.050 0.160 0.000 0.712 313 N CB -1.206 37.349 38.487 0.113 0.000 0.912 313 N HN 0.700 nan 8.380 nan 0.000 0.545 314 H N 0.515 119.656 119.070 0.119 0.000 2.423 314 H HA 0.021 4.575 4.556 -0.003 0.000 0.297 314 H C 0.392 175.733 175.328 0.022 0.000 1.075 314 H CA 0.959 57.031 56.048 0.039 0.000 1.342 314 H CB 0.413 30.107 29.762 -0.113 0.000 1.395 314 H HN 0.437 nan 8.280 nan 0.000 0.530 315 N N 0.657 119.431 118.700 0.123 0.000 2.415 315 N HA 0.033 4.772 4.740 -0.003 0.000 0.250 315 N C 1.141 176.679 175.510 0.048 0.000 1.127 315 N CA -0.428 52.667 53.050 0.076 0.000 0.945 315 N CB 1.046 39.589 38.487 0.094 0.000 1.196 315 N HN -0.066 nan 8.380 nan 0.000 0.499 316 V N 3.070 122.994 119.914 0.017 0.000 2.270 316 V HA -0.145 3.974 4.120 -0.003 0.000 0.245 316 V C 2.350 178.470 176.094 0.043 0.000 1.043 316 V CA 2.183 64.497 62.300 0.023 0.000 1.014 316 V CB -0.940 30.884 31.823 0.002 0.000 0.645 316 V HN 0.833 nan 8.190 nan 0.000 0.447 317 G N -0.251 108.579 108.800 0.050 0.000 2.450 317 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.220 317 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.220 317 G C 1.587 176.540 174.900 0.088 0.000 1.130 317 G CA 1.148 46.289 45.100 0.067 0.000 0.760 317 G HN 0.442 nan 8.290 nan 0.000 0.557 318 L N -0.015 121.256 121.223 0.081 0.000 2.156 318 L HA 0.216 4.555 4.340 -0.003 0.000 0.208 318 L C 2.439 179.369 176.870 0.100 0.000 1.095 318 L CA 1.101 55.987 54.840 0.075 0.000 0.770 318 L CB -0.311 41.730 42.059 -0.030 0.000 0.914 318 L HN 0.200 nan 8.230 nan 0.000 0.439 319 L N -0.294 120.975 121.223 0.077 0.000 2.093 319 L HA -0.155 4.184 4.340 -0.003 0.000 0.208 319 L C 2.123 179.035 176.870 0.070 0.000 1.085 319 L CA 1.706 56.591 54.840 0.075 0.000 0.755 319 L CB -0.903 41.195 42.059 0.065 0.000 0.904 319 L HN 0.335 nan 8.230 nan 0.000 0.435 320 N N -0.421 118.317 118.700 0.063 0.000 2.188 320 N HA -0.136 4.603 4.740 -0.003 0.000 0.184 320 N C 1.962 177.496 175.510 0.040 0.000 1.018 320 N CA 1.589 54.667 53.050 0.047 0.000 0.858 320 N CB -0.347 38.164 38.487 0.041 0.000 0.989 320 N HN 0.633 nan 8.380 nan 0.000 0.426 321 S N -0.344 115.398 115.700 0.071 0.000 2.388 321 S HA 0.009 4.477 4.470 -0.003 0.000 0.223 321 S C 1.428 175.968 174.600 -0.100 0.000 1.034 321 S CA 0.716 58.930 58.200 0.024 0.000 0.963 321 S CB -0.174 63.104 63.200 0.130 0.000 0.827 321 S HN 0.334 nan 8.310 nan 0.000 0.481 322 H N 0.716 119.782 119.070 -0.007 0.000 2.800 322 H HA 0.539 5.093 4.556 -0.003 0.000 0.257 322 H C 1.360 176.688 175.328 -0.000 0.000 0.967 322 H CA 0.367 56.404 56.048 -0.017 0.000 1.192 322 H CB 0.827 30.560 29.762 -0.049 0.000 1.441 322 H HN 0.679 nan 8.280 nan 0.000 0.461 323 G N 0.389 109.265 108.800 0.127 0.000 2.451 323 G HA2 -0.197 3.762 3.960 -0.003 0.000 0.208 323 G HA3 -0.197 3.762 3.960 -0.003 0.000 0.208 323 G C -0.626 174.325 174.900 0.084 0.000 1.248 323 G CA -0.656 44.495 45.100 0.085 0.000 0.989 323 G HN 0.216 nan 8.290 nan 0.000 0.559 324 R N 0.641 121.184 120.500 0.071 0.000 2.577 324 R HA 0.449 4.787 4.340 -0.003 0.000 0.269 324 R C 0.100 176.435 176.300 0.059 0.000 1.084 324 R CA 0.227 56.365 56.100 0.064 0.000 1.163 324 R CB 0.134 30.468 30.300 0.057 0.000 1.100 324 R HN 0.679 nan 8.270 nan 0.000 0.547 325 D N 1.211 121.630 120.400 0.031 0.000 2.723 325 D HA -0.139 4.499 4.640 -0.003 0.000 0.236 325 D C -0.198 176.119 176.300 0.028 0.000 1.138 325 D CA 0.895 54.876 54.000 -0.031 0.000 0.676 325 D CB -0.236 40.538 40.800 -0.042 0.000 1.069 325 D HN 0.385 nan 8.370 nan 0.000 0.430 326 K N -0.443 119.999 120.400 0.071 0.000 2.440 326 K HA 0.328 4.646 4.320 -0.003 0.000 0.206 326 K C 1.473 178.184 176.600 0.185 0.000 1.025 326 K CA 0.501 56.920 56.287 0.220 0.000 1.135 326 K CB 0.687 33.252 32.500 0.108 0.000 0.856 326 K HN 0.408 nan 8.250 nan 0.000 0.502 327 G N 0.927 109.708 108.800 -0.033 0.000 2.132 327 G HA2 -0.285 3.673 3.960 -0.003 0.000 0.234 327 G HA3 -0.285 3.673 3.960 -0.003 0.000 0.234 327 G C 0.509 175.433 174.900 0.039 0.000 0.989 327 G CA 0.224 45.305 45.100 -0.030 0.000 0.676 327 G HN 0.371 nan 8.290 nan 0.000 0.522 328 A N -0.025 122.817 122.820 0.038 0.000 2.713 328 A HA 0.568 4.886 4.320 -0.003 0.000 0.296 328 A C 0.065 177.686 177.584 0.061 0.000 1.255 328 A CA 0.142 52.212 52.037 0.055 0.000 0.955 328 A CB 0.246 19.292 19.000 0.076 0.000 1.149 328 A HN 0.191 nan 8.150 nan 0.000 0.538 329 D N 1.427 121.847 120.400 0.033 0.000 2.428 329 D HA 0.362 5.001 4.640 -0.003 0.000 0.221 329 D C -0.147 176.034 176.300 -0.197 0.000 1.123 329 D CA 0.058 54.054 54.000 -0.006 0.000 0.869 329 D CB 0.880 41.737 40.800 0.096 0.000 1.032 329 D HN 0.155 nan 8.370 nan 0.000 0.506 330 I N 3.054 123.515 120.570 -0.182 0.000 2.385 330 I HA 0.308 4.477 4.170 -0.003 0.000 0.294 330 I C -2.163 173.795 176.117 -0.263 0.000 0.988 330 I CA -2.822 58.273 61.300 -0.342 0.000 1.265 330 I CB 0.942 38.649 38.000 -0.489 0.000 1.388 330 I HN -0.060 nan 8.210 nan 0.000 0.480 331 P HA 0.290 nan 4.420 nan 0.000 0.272 331 P C -0.658 176.585 177.300 -0.096 0.000 1.223 331 P CA -0.131 62.857 63.100 -0.186 0.000 0.784 331 P CB 0.591 32.170 31.700 -0.203 0.000 0.923 332 M N 0.254 119.854 119.600 -0.001 0.000 2.727 332 M HA 0.578 5.056 4.480 -0.003 0.000 0.300 332 M C 0.036 176.355 176.300 0.033 0.000 1.246 332 M CA -1.368 53.944 55.300 0.020 0.000 0.835 332 M CB 1.677 34.319 32.600 0.071 0.000 1.755 332 M HN 0.130 nan 8.290 nan 0.000 0.473 333 R N 0.246 120.761 120.500 0.024 0.000 2.570 333 R HA 0.421 4.759 4.340 -0.003 0.000 0.277 333 R C -1.106 175.209 176.300 0.025 0.000 1.039 333 R CA 0.067 56.183 56.100 0.026 0.000 1.065 333 R CB -0.300 30.011 30.300 0.017 0.000 0.964 333 R HN 0.621 nan 8.270 nan 0.000 0.428 334 T N 1.812 116.384 114.554 0.029 0.000 2.863 334 T HA 0.261 4.610 4.350 -0.003 0.000 0.285 334 T C -0.854 173.790 174.700 -0.093 0.000 1.009 334 T CA -0.796 61.272 62.100 -0.053 0.000 0.989 334 T CB 1.869 70.712 68.868 -0.042 0.000 1.004 334 T HN 0.545 nan 8.240 nan 0.000 0.455 335 E N 1.059 121.127 120.200 -0.220 0.000 2.199 335 E HA 0.359 4.707 4.350 -0.003 0.000 0.269 335 E C -0.911 175.506 176.600 -0.305 0.000 0.899 335 E CA -0.466 55.856 56.400 -0.130 0.000 0.772 335 E CB 1.483 31.151 29.700 -0.053 0.000 1.155 335 E HN 0.760 nan 8.360 nan 0.000 0.408 336 Y N 1.562 121.892 120.300 0.050 0.000 2.512 336 Y HA 0.052 4.601 4.550 -0.003 0.000 0.268 336 Y C 1.780 177.702 175.900 0.037 0.000 1.102 336 Y CA 0.104 58.233 58.100 0.048 0.000 1.261 336 Y CB 0.558 39.050 38.460 0.055 0.000 1.250 336 Y HN 0.295 nan 8.280 nan 0.000 0.506 337 V N 0.289 120.312 119.914 0.183 0.000 2.270 337 V HA -0.239 3.879 4.120 -0.003 0.000 0.245 337 V C 1.586 177.729 176.094 0.083 0.000 1.043 337 V CA 2.305 64.681 62.300 0.126 0.000 1.014 337 V CB -0.325 31.560 31.823 0.103 0.000 0.645 337 V HN 0.327 nan 8.190 nan 0.000 0.447 338 D N -0.005 120.431 120.400 0.060 0.000 2.194 338 D HA 0.024 4.662 4.640 -0.003 0.000 0.204 338 D C 2.202 178.520 176.300 0.029 0.000 0.964 338 D CA 1.370 55.394 54.000 0.040 0.000 0.846 338 D CB -0.061 40.756 40.800 0.029 0.000 0.962 338 D HN 0.404 nan 8.370 nan 0.000 0.490 339 A N 0.848 123.682 122.820 0.024 0.000 1.877 339 A HA -0.085 4.233 4.320 -0.003 0.000 0.216 339 A C 2.248 179.843 177.584 0.019 0.000 1.186 339 A CA 0.896 52.938 52.037 0.008 0.000 0.620 339 A CB -0.675 18.305 19.000 -0.033 0.000 0.822 339 A HN 0.196 nan 8.150 nan 0.000 0.443 340 L N -1.043 120.201 121.223 0.036 0.000 2.492 340 L HA 0.009 4.347 4.340 -0.003 0.000 0.223 340 L C 2.320 179.170 176.870 -0.033 0.000 1.132 340 L CA 0.634 55.481 54.840 0.012 0.000 0.850 340 L CB -0.247 41.830 42.059 0.030 0.000 0.966 340 L HN 0.427 nan 8.230 nan 0.000 0.454 341 K N 1.043 121.438 120.400 -0.009 0.000 2.044 341 K HA -0.187 4.132 4.320 -0.003 0.000 0.210 341 K C -0.524 176.071 176.600 -0.008 0.000 1.049 341 K CA 1.642 57.924 56.287 -0.008 0.000 0.927 341 K CB -0.643 31.874 32.500 0.029 0.000 0.713 341 K HN 0.176 nan 8.250 nan 0.000 0.443 342 P HA -0.169 nan 4.420 nan 0.000 0.216 342 P C 1.198 178.494 177.300 -0.007 0.000 1.150 342 P CA 0.847 63.949 63.100 0.003 0.000 0.837 342 P CB 0.048 31.753 31.700 0.008 0.000 0.786 343 L N -0.932 120.278 121.223 -0.022 0.000 2.056 343 L HA -0.066 4.272 4.340 -0.003 0.000 0.207 343 L C 2.064 178.899 176.870 -0.058 0.000 1.078 343 L CA 1.757 56.577 54.840 -0.035 0.000 0.749 343 L CB -1.419 40.616 42.059 -0.040 0.000 0.901 343 L HN -0.115 nan 8.230 nan 0.000 0.433 344 L N -1.341 119.815 121.223 -0.111 0.000 2.291 344 L HA -0.111 4.227 4.340 -0.003 0.000 0.214 344 L C 2.149 178.998 176.870 -0.036 0.000 1.120 344 L CA 1.040 55.767 54.840 -0.189 0.000 0.799 344 L CB -0.811 40.933 42.059 -0.525 0.000 0.925 344 L HN 0.239 nan 8.230 nan 0.000 0.446 345 T N -0.914 113.644 114.554 0.006 0.000 2.821 345 T HA -0.167 4.181 4.350 -0.003 0.000 0.267 345 T C 2.055 176.782 174.700 0.045 0.000 1.046 345 T CA 1.069 63.201 62.100 0.052 0.000 1.139 345 T CB -0.063 68.831 68.868 0.044 0.000 0.871 345 T HN 0.264 nan 8.240 nan 0.000 0.454 346 R N 0.396 120.909 120.500 0.023 0.000 2.062 346 R HA 0.159 4.497 4.340 -0.003 0.000 0.226 346 R C 1.198 177.511 176.300 0.022 0.000 1.125 346 R CA 1.010 57.123 56.100 0.022 0.000 0.966 346 R CB 0.003 30.312 30.300 0.014 0.000 0.861 346 R HN 0.328 nan 8.270 nan 0.000 0.433 347 L N -0.839 120.390 121.223 0.010 0.000 3.229 347 L HA 0.323 4.662 4.340 -0.003 0.000 0.286 347 L C 1.462 178.341 176.870 0.016 0.000 1.239 347 L CA -0.158 54.687 54.840 0.009 0.000 1.035 347 L CB 1.412 43.468 42.059 -0.005 0.000 1.408 347 L HN 0.274 nan 8.230 nan 0.000 0.593 348 G N 0.507 109.329 108.800 0.037 0.000 2.471 348 G HA2 -0.196 3.763 3.960 -0.003 0.000 0.219 348 G HA3 -0.196 3.763 3.960 -0.003 0.000 0.219 348 G C 0.928 175.935 174.900 0.179 0.000 1.125 348 G CA 0.630 45.782 45.100 0.087 0.000 0.775 348 G HN 0.495 nan 8.290 nan 0.000 0.548 349 N N -0.099 118.672 118.700 0.117 0.000 2.203 349 N HA 0.112 4.851 4.740 -0.003 0.000 0.207 349 N C -0.375 175.156 175.510 0.036 0.000 1.130 349 N CA -0.292 52.802 53.050 0.073 0.000 0.861 349 N CB 0.794 39.317 38.487 0.061 0.000 1.005 349 N HN 0.035 nan 8.380 nan 0.000 0.507 350 D N 1.526 121.944 120.400 0.031 0.000 2.343 350 D HA 0.070 4.708 4.640 -0.003 0.000 0.255 350 D C -1.563 174.740 176.300 0.006 0.000 1.187 350 D CA -1.727 52.281 54.000 0.014 0.000 0.875 350 D CB 1.549 42.355 40.800 0.010 0.000 1.136 350 D HN 0.053 nan 8.370 nan 0.000 0.469 351 P HA -0.006 nan 4.420 nan 0.000 0.223 351 P C 0.953 178.249 177.300 -0.007 0.000 1.151 351 P CA 0.745 63.843 63.100 -0.004 0.000 0.787 351 P CB 0.356 32.052 31.700 -0.006 0.000 0.788 352 R N -1.442 119.053 120.500 -0.007 0.000 2.275 352 R HA 0.116 4.454 4.340 -0.003 0.000 0.199 352 R C 0.510 176.801 176.300 -0.015 0.000 0.989 352 R CA -0.054 56.040 56.100 -0.011 0.000 1.016 352 R CB -0.378 29.916 30.300 -0.011 0.000 0.918 352 R HN 0.158 nan 8.270 nan 0.000 0.473 353 L N 0.154 121.369 121.223 -0.013 0.000 2.312 353 L HA 0.302 4.640 4.340 -0.003 0.000 0.281 353 L C -0.616 176.240 176.870 -0.023 0.000 1.070 353 L CA 0.147 54.977 54.840 -0.018 0.000 0.805 353 L CB 1.954 44.004 42.059 -0.015 0.000 1.174 353 L HN -0.249 nan 8.230 nan 0.000 0.434 354 S N 5.580 121.260 115.700 -0.033 0.000 2.756 354 S HA 0.680 5.148 4.470 -0.003 0.000 0.303 354 S C -0.762 173.805 174.600 -0.055 0.000 1.135 354 S CA -0.556 57.614 58.200 -0.049 0.000 1.066 354 S CB 0.265 63.424 63.200 -0.069 0.000 1.008 354 S HN 0.502 nan 8.310 nan 0.000 0.482 355 I N 5.201 125.740 120.570 -0.051 0.000 2.441 355 I HA 0.528 4.697 4.170 -0.003 0.000 0.295 355 I C -0.655 175.416 176.117 -0.078 0.000 0.994 355 I CA -0.817 60.456 61.300 -0.046 0.000 1.144 355 I CB 1.860 39.845 38.000 -0.026 0.000 1.314 355 I HN 0.483 nan 8.210 nan 0.000 0.445 356 I N 6.607 127.125 120.570 -0.088 0.000 2.362 356 I HA 0.368 4.536 4.170 -0.003 0.000 0.289 356 I C -0.556 175.475 176.117 -0.144 0.000 0.994 356 I CA -0.481 60.726 61.300 -0.154 0.000 1.158 356 I CB 1.398 39.284 38.000 -0.191 0.000 1.315 356 I HN 0.297 nan 8.210 nan 0.000 0.451 357 L N 6.352 127.444 121.223 -0.218 0.000 2.275 357 L HA 0.512 4.850 4.340 -0.003 0.000 0.288 357 L C -0.732 175.949 176.870 -0.315 0.000 1.046 357 L CA -0.295 54.454 54.840 -0.151 0.000 0.805 357 L CB 0.778 42.754 42.059 -0.139 0.000 1.193 357 L HN 0.399 nan 8.230 nan 0.000 0.426 358 F N 0.742 120.614 119.950 -0.130 0.000 2.541 358 F HA 0.655 5.181 4.527 -0.003 0.000 0.331 358 F C 0.517 176.473 175.800 0.260 0.000 1.057 358 F CA -0.474 57.498 58.000 -0.046 0.000 0.975 358 F CB 2.266 40.956 39.000 -0.517 0.000 1.246 358 F HN 0.256 nan 8.300 nan 0.000 0.484 359 T N 1.067 116.020 114.554 0.665 0.000 2.868 359 T HA 0.448 4.797 4.350 -0.003 0.000 0.306 359 T C -0.621 174.520 174.700 0.735 0.000 1.224 359 T CA -0.315 62.174 62.100 0.648 0.000 1.012 359 T CB 1.253 70.318 68.868 0.329 0.000 1.221 359 T HN 0.408 nan 8.240 nan 0.000 0.499 360 L N 2.261 123.812 121.223 0.546 0.000 2.766 360 L HA 0.496 4.834 4.340 -0.003 0.000 0.242 360 L C 0.080 177.146 176.870 0.326 0.000 1.136 360 L CA 0.485 55.574 54.840 0.415 0.000 0.933 360 L CB 0.504 42.662 42.059 0.164 0.000 1.241 360 L HN 0.592 nan 8.230 nan 0.000 0.522 361 D N -0.499 119.996 120.400 0.157 0.000 2.446 361 D HA 0.141 4.780 4.640 -0.003 0.000 0.251 361 D C 0.897 177.056 176.300 -0.235 0.000 1.137 361 D CA -0.009 53.997 54.000 0.010 0.000 0.890 361 D CB 0.882 41.728 40.800 0.077 0.000 1.071 361 D HN 0.136 nan 8.370 nan 0.000 0.528 362 E N 0.777 120.739 120.200 -0.396 0.000 2.333 362 E HA -0.147 4.201 4.350 -0.003 0.000 0.198 362 E C 1.572 177.952 176.600 -0.367 0.000 1.007 362 E CA 1.190 57.198 56.400 -0.654 0.000 0.845 362 E CB 0.169 29.664 29.700 -0.342 0.000 0.766 362 E HN 0.598 nan 8.360 nan 0.000 0.507 363 T N -1.519 112.930 114.554 -0.175 0.000 3.035 363 T HA -0.096 4.252 4.350 -0.003 0.000 0.268 363 T C 2.006 176.687 174.700 -0.032 0.000 1.109 363 T CA 1.341 63.405 62.100 -0.060 0.000 1.119 363 T CB -0.343 68.511 68.868 -0.022 0.000 0.900 363 T HN 0.181 nan 8.240 nan 0.000 0.503 364 T N -1.825 112.687 114.554 -0.070 0.000 3.081 364 T HA 0.094 4.443 4.350 -0.003 0.000 0.255 364 T C 1.452 176.160 174.700 0.013 0.000 1.113 364 T CA -0.119 61.987 62.100 0.010 0.000 1.082 364 T CB -0.586 68.355 68.868 0.121 0.000 0.939 364 T HN 0.294 nan 8.240 nan 0.000 0.506 365 Y N 3.551 123.849 120.300 -0.003 0.000 2.014 365 Y HA -0.168 4.380 4.550 -0.003 0.000 0.270 365 Y C 3.239 179.088 175.900 -0.086 0.000 1.145 365 Y CA 1.285 59.350 58.100 -0.059 0.000 1.106 365 Y CB -1.168 37.252 38.460 -0.067 0.000 0.968 365 Y HN 0.473 nan 8.280 nan 0.000 0.484 366 S N -0.422 115.351 115.700 0.122 0.000 2.436 366 S HA -0.052 4.417 4.470 -0.003 0.000 0.228 366 S C 2.061 176.676 174.600 0.026 0.000 1.014 366 S CA 0.704 58.924 58.200 0.033 0.000 0.950 366 S CB -0.184 63.029 63.200 0.022 0.000 0.784 366 S HN 0.378 nan 8.310 nan 0.000 0.504 367 R N 0.981 121.504 120.500 0.040 0.000 2.066 367 R HA 0.097 4.435 4.340 -0.003 0.000 0.224 367 R C 1.767 178.093 176.300 0.043 0.000 1.122 367 R CA 1.546 57.668 56.100 0.037 0.000 0.974 367 R CB 0.079 30.404 30.300 0.042 0.000 0.871 367 R HN 0.608 nan 8.270 nan 0.000 0.435 368 E N -0.739 119.491 120.200 0.049 0.000 2.520 368 E HA 0.066 4.414 4.350 -0.003 0.000 0.201 368 E C 2.058 178.665 176.600 0.012 0.000 0.894 368 E CA -0.136 56.300 56.400 0.059 0.000 1.161 368 E CB 0.038 29.814 29.700 0.128 0.000 1.137 368 E HN 0.097 nan 8.360 nan 0.000 0.510 369 L N 1.422 122.615 121.223 -0.050 0.000 2.017 369 L HA -0.145 4.194 4.340 -0.003 0.000 0.208 369 L C 2.626 179.469 176.870 -0.044 0.000 1.073 369 L CA 1.511 56.285 54.840 -0.110 0.000 0.745 369 L CB -0.472 41.518 42.059 -0.115 0.000 0.894 369 L HN 0.169 nan 8.230 nan 0.000 0.432 370 A N 0.057 122.857 122.820 -0.033 0.000 1.897 370 A HA -0.049 4.270 4.320 -0.003 0.000 0.215 370 A C -0.121 177.452 177.584 -0.017 0.000 1.181 370 A CA 1.061 53.064 52.037 -0.056 0.000 0.620 370 A CB -1.616 17.319 19.000 -0.109 0.000 0.821 370 A HN 0.273 nan 8.150 nan 0.000 0.443 371 P HA -0.126 nan 4.420 nan 0.000 0.216 371 P C 1.442 178.789 177.300 0.079 0.000 1.150 371 P CA 0.808 63.924 63.100 0.027 0.000 0.837 371 P CB -0.085 31.628 31.700 0.021 0.000 0.786 372 L N -1.050 120.236 121.223 0.105 0.000 2.023 372 L HA -0.114 4.225 4.340 -0.003 0.000 0.205 372 L C 2.479 179.486 176.870 0.228 0.000 1.073 372 L CA 1.640 56.611 54.840 0.220 0.000 0.745 372 L CB -1.197 40.962 42.059 0.167 0.000 0.900 372 L HN -0.062 nan 8.230 nan 0.000 0.435 373 A N 0.040 122.921 122.820 0.101 0.000 1.969 373 A HA -0.079 4.239 4.320 -0.003 0.000 0.218 373 A C 2.114 179.732 177.584 0.058 0.000 1.169 373 A CA 1.454 53.531 52.037 0.066 0.000 0.635 373 A CB -0.975 18.025 19.000 0.000 0.000 0.810 373 A HN 0.456 nan 8.150 nan 0.000 0.445 374 G N -2.524 106.305 108.800 0.049 0.000 3.124 374 G HA2 0.180 4.139 3.960 -0.003 0.000 0.212 374 G HA3 0.180 4.139 3.960 -0.003 0.000 0.212 374 G C 0.871 175.812 174.900 0.068 0.000 1.181 374 G CA 1.057 46.178 45.100 0.036 0.000 0.803 374 G HN 0.747 nan 8.290 nan 0.000 0.529 375 H N -1.383 117.670 119.070 -0.028 0.000 2.067 375 H HA 0.297 4.851 4.556 -0.003 0.000 0.220 375 H C -0.347 174.898 175.328 -0.138 0.000 0.883 375 H CA -0.431 55.542 56.048 -0.125 0.000 1.042 375 H CB 0.336 29.951 29.762 -0.244 0.000 1.305 375 H HN 0.142 nan 8.280 nan 0.000 0.430 376 Y N 2.205 122.467 120.300 -0.065 0.000 2.402 376 Y HA 0.179 4.727 4.550 -0.003 0.000 0.333 376 Y C -1.439 174.399 175.900 -0.104 0.000 1.076 376 Y CA -2.003 56.032 58.100 -0.108 0.000 1.299 376 Y CB 0.944 39.426 38.460 0.037 0.000 1.197 376 Y HN 0.338 nan 8.280 nan 0.000 0.517 377 P HA -0.236 nan 4.420 nan 0.000 0.218 377 P C 1.352 178.668 177.300 0.028 0.000 1.146 377 P CA 1.655 64.755 63.100 0.001 0.000 0.813 377 P CB 0.062 31.754 31.700 -0.013 0.000 0.778 378 V N -5.362 114.587 119.914 0.059 0.000 3.052 378 V HA 0.044 4.163 4.120 -0.003 0.000 0.254 378 V C 0.920 177.018 176.094 0.005 0.000 1.100 378 V CA 0.542 62.855 62.300 0.021 0.000 1.112 378 V CB -0.937 30.891 31.823 0.008 0.000 0.738 378 V HN -0.132 nan 8.190 nan 0.000 0.469 379 L N 1.364 122.607 121.223 0.034 0.000 2.350 379 L HA 0.693 5.032 4.340 -0.003 0.000 0.275 379 L C -0.052 176.812 176.870 -0.011 0.000 1.099 379 L CA 0.202 55.047 54.840 0.008 0.000 0.808 379 L CB 1.066 43.152 42.059 0.046 0.000 1.149 379 L HN 0.286 nan 8.230 nan 0.000 0.442 380 K N 1.613 121.982 120.400 -0.053 0.000 2.532 380 K HA 0.664 4.982 4.320 -0.003 0.000 0.265 380 K C -1.615 174.914 176.600 -0.118 0.000 0.948 380 K CA -0.427 55.819 56.287 -0.069 0.000 0.842 380 K CB 1.729 34.177 32.500 -0.086 0.000 1.392 380 K HN 0.394 nan 8.250 nan 0.000 0.436 381 L N 2.309 123.475 121.223 -0.094 0.000 2.282 381 L HA 0.555 4.894 4.340 -0.003 0.000 0.288 381 L C 0.733 177.476 176.870 -0.211 0.000 1.033 381 L CA -0.995 53.778 54.840 -0.112 0.000 0.807 381 L CB 1.619 43.701 42.059 0.037 0.000 1.209 381 L HN 0.734 nan 8.230 nan 0.000 0.423 382 G N 3.333 111.752 108.800 -0.634 0.000 2.539 382 G HA2 0.459 4.418 3.960 -0.003 0.000 0.258 382 G HA3 0.459 4.418 3.960 -0.003 0.000 0.258 382 G C -2.475 172.070 174.900 -0.591 0.000 1.202 382 G CA -0.899 43.593 45.100 -1.013 0.000 0.851 382 G HN 0.341 nan 8.290 nan 0.000 0.556 383 P HA 0.122 nan 4.420 nan 0.000 0.272 383 P C 0.456 177.592 177.300 -0.273 0.000 1.240 383 P CA -0.316 62.469 63.100 -0.526 0.000 0.791 383 P CB 0.658 32.305 31.700 -0.089 0.000 0.978 384 S N 0.263 115.710 115.700 -0.420 0.000 2.563 384 S HA 0.015 4.483 4.470 -0.003 0.000 0.294 384 S C -0.511 174.399 174.600 0.517 0.000 1.279 384 S CA -0.484 57.844 58.200 0.212 0.000 1.069 384 S CB -0.480 62.878 63.200 0.263 0.000 0.828 384 S HN 0.570 nan 8.310 nan 0.000 0.497 385 W N 6.140 127.734 121.300 0.490 0.000 2.666 385 W HA 0.533 5.192 4.660 -0.002 0.000 0.334 385 W C 0.185 177.016 176.519 0.521 0.000 1.051 385 W CA -1.214 56.426 57.345 0.492 0.000 1.224 385 W CB 0.328 30.139 29.460 0.587 0.000 1.405 385 W HN 0.879 nan 8.180 nan 0.000 0.513 386 W N 3.350 124.667 121.300 0.027 0.000 2.127 386 W HA -0.433 4.225 4.660 -0.003 0.000 0.290 386 W C 1.317 177.723 176.519 -0.188 0.000 1.868 386 W CA 2.318 59.462 57.345 -0.335 0.000 2.076 386 W CB -2.092 26.760 29.460 -1.014 0.000 0.943 386 W HN 0.453 nan 8.180 nan 0.000 0.447 387 F N 1.054 121.054 119.950 0.084 0.000 2.502 387 F HA -0.053 4.472 4.527 -0.003 0.000 0.298 387 F C 2.230 178.005 175.800 -0.042 0.000 1.111 387 F CA 1.831 59.776 58.000 -0.091 0.000 1.445 387 F CB -0.642 38.078 39.000 -0.467 0.000 1.081 387 F HN 0.058 nan 8.300 nan 0.000 0.558 388 H N -1.841 117.495 119.070 0.444 0.000 2.586 388 H HA 0.071 4.625 4.556 -0.003 0.000 0.273 388 H C 0.342 175.898 175.328 0.379 0.000 0.997 388 H CA 0.041 56.319 56.048 0.384 0.000 1.177 388 H CB -0.225 29.774 29.762 0.394 0.000 1.471 388 H HN 0.158 nan 8.280 nan 0.000 0.538 389 D N 2.820 123.515 120.400 0.492 0.000 2.541 389 D HA 0.064 4.703 4.640 -0.003 0.000 0.231 389 D C -0.241 176.361 176.300 0.502 0.000 1.163 389 D CA 0.243 54.540 54.000 0.494 0.000 1.077 389 D CB 0.033 41.126 40.800 0.489 0.000 1.110 389 D HN 0.355 nan 8.370 nan 0.000 0.499 390 S N 1.243 117.163 115.700 0.366 0.000 2.567 390 S HA 0.371 4.840 4.470 -0.003 0.000 0.270 390 S C -2.520 172.182 174.600 0.171 0.000 1.152 390 S CA -1.034 57.306 58.200 0.235 0.000 0.835 390 S CB 2.082 65.402 63.200 0.199 0.000 1.115 390 S HN -0.115 nan 8.310 nan 0.000 0.459 391 P HA -0.140 nan 4.420 nan 0.000 0.215 391 P C 1.264 178.624 177.300 0.099 0.000 1.163 391 P CA 1.548 64.694 63.100 0.076 0.000 0.894 391 P CB 0.043 31.758 31.700 0.026 0.000 0.791 392 E N -0.963 119.296 120.200 0.098 0.000 2.107 392 E HA -0.062 4.287 4.350 -0.003 0.000 0.191 392 E C 2.308 178.999 176.600 0.152 0.000 0.982 392 E CA 1.404 57.870 56.400 0.109 0.000 0.809 392 E CB -1.042 28.712 29.700 0.090 0.000 0.756 392 E HN 0.286 nan 8.360 nan 0.000 0.459 393 G N 1.350 110.273 108.800 0.206 0.000 2.421 393 G HA2 -0.243 3.716 3.960 -0.003 0.000 0.216 393 G HA3 -0.243 3.716 3.960 -0.003 0.000 0.216 393 G C 1.684 176.740 174.900 0.260 0.000 1.171 393 G CA 0.725 45.993 45.100 0.281 0.000 0.775 393 G HN 0.119 nan 8.290 nan 0.000 0.543 394 M N -0.643 119.086 119.600 0.215 0.000 2.229 394 M HA 0.065 4.543 4.480 -0.003 0.000 0.264 394 M C 2.510 178.889 176.300 0.131 0.000 1.063 394 M CA 1.165 56.569 55.300 0.174 0.000 1.114 394 M CB -0.172 32.508 32.600 0.133 0.000 1.387 394 M HN 0.286 nan 8.290 nan 0.000 0.420 395 M N 0.178 119.843 119.600 0.108 0.000 2.156 395 M HA -0.072 4.406 4.480 -0.003 0.000 0.264 395 M C 2.052 178.366 176.300 0.022 0.000 1.067 395 M CA 1.802 57.142 55.300 0.067 0.000 1.131 395 M CB -0.222 32.450 32.600 0.120 0.000 1.368 395 M HN 0.011 nan 8.290 nan 0.000 0.416 396 R N -1.294 119.252 120.500 0.077 0.000 2.081 396 R HA -0.166 4.172 4.340 -0.003 0.000 0.235 396 R C 2.217 178.491 176.300 -0.043 0.000 1.131 396 R CA 1.879 58.018 56.100 0.065 0.000 0.960 396 R CB -0.823 29.562 30.300 0.143 0.000 0.856 396 R HN 0.441 nan 8.270 nan 0.000 0.436 397 F N 1.881 121.691 119.950 -0.233 0.000 2.043 397 F HA -0.281 4.244 4.527 -0.003 0.000 0.297 397 F C 2.436 177.922 175.800 -0.525 0.000 1.121 397 F CA 1.565 59.216 58.000 -0.581 0.000 1.199 397 F CB 0.011 38.765 39.000 -0.410 0.000 0.968 397 F HN -0.165 nan 8.300 nan 0.000 0.478 398 R N 0.769 120.987 120.500 -0.469 0.000 2.081 398 R HA -0.158 4.180 4.340 -0.003 0.000 0.235 398 R C 2.077 177.888 176.300 -0.816 0.000 1.131 398 R CA 1.801 57.375 56.100 -0.876 0.000 0.960 398 R CB -1.088 28.410 30.300 -1.337 0.000 0.856 398 R HN 0.519 nan 8.270 nan 0.000 0.436 399 E N 0.320 120.260 120.200 -0.433 0.000 2.347 399 E HA -0.145 4.204 4.350 -0.003 0.000 0.196 399 E C 1.620 178.148 176.600 -0.119 0.000 1.008 399 E CA 0.764 57.123 56.400 -0.069 0.000 0.852 399 E CB 0.167 29.907 29.700 0.068 0.000 0.783 399 E HN 0.437 nan 8.360 nan 0.000 0.505 400 Q N -0.948 118.701 119.800 -0.252 0.000 2.353 400 Q HA 0.075 4.413 4.340 -0.003 0.000 0.240 400 Q C 1.824 177.655 176.000 -0.281 0.000 0.868 400 Q CA 0.073 55.764 55.803 -0.188 0.000 0.944 400 Q CB 1.035 29.736 28.738 -0.063 0.000 1.104 400 Q HN 0.054 nan 8.270 nan 0.000 0.531 401 V N -0.018 119.575 119.914 -0.535 0.000 2.575 401 V HA -0.119 4.000 4.120 -0.003 0.000 0.242 401 V C 1.924 177.743 176.094 -0.458 0.000 1.045 401 V CA 1.793 63.747 62.300 -0.578 0.000 1.065 401 V CB 0.012 31.193 31.823 -1.070 0.000 0.717 401 V HN 0.329 nan 8.190 nan 0.000 0.467 402 T N -0.001 114.247 114.554 -0.510 0.000 2.720 402 T HA -0.240 4.109 4.350 -0.003 0.000 0.268 402 T C 1.713 176.225 174.700 -0.313 0.000 1.037 402 T CA 1.766 63.553 62.100 -0.521 0.000 1.144 402 T CB -0.234 68.289 68.868 -0.574 0.000 0.864 402 T HN 0.546 nan 8.240 nan 0.000 0.444 403 E N 0.163 120.245 120.200 -0.196 0.000 2.204 403 E HA -0.081 4.268 4.350 -0.003 0.000 0.195 403 E C 2.047 178.592 176.600 -0.092 0.000 0.990 403 E CA 1.214 57.548 56.400 -0.110 0.000 0.821 403 E CB 0.011 29.672 29.700 -0.066 0.000 0.750 403 E HN 0.453 nan 8.360 nan 0.000 0.477 404 T N -0.554 113.934 114.554 -0.110 0.000 3.056 404 T HA 0.169 4.518 4.350 -0.003 0.000 0.241 404 T C 1.775 176.431 174.700 -0.074 0.000 1.006 404 T CA 0.560 62.616 62.100 -0.074 0.000 1.115 404 T CB 0.293 69.126 68.868 -0.059 0.000 0.939 404 T HN 0.142 nan 8.240 nan 0.000 0.462 405 A N 0.806 123.553 122.820 -0.122 0.000 1.997 405 A HA 0.611 4.929 4.320 -0.003 0.000 0.212 405 A C 1.458 178.981 177.584 -0.102 0.000 1.178 405 A CA 0.953 52.927 52.037 -0.104 0.000 0.698 405 A CB -0.782 18.134 19.000 -0.141 0.000 0.842 405 A HN 0.809 nan 8.150 nan 0.000 0.458 406 G N -1.921 106.765 108.800 -0.190 0.000 2.782 406 G HA2 -0.177 3.782 3.960 -0.003 0.000 0.228 406 G HA3 -0.177 3.782 3.960 -0.003 0.000 0.228 406 G C 0.123 174.829 174.900 -0.323 0.000 1.372 406 G CA 0.001 44.977 45.100 -0.207 0.000 0.862 406 G HN 0.388 nan 8.290 nan 0.000 0.547 407 F N -0.851 119.012 119.950 -0.144 0.000 2.569 407 F HA 0.257 4.782 4.527 -0.003 0.000 0.295 407 F C 2.257 177.864 175.800 -0.321 0.000 1.115 407 F CA 1.145 58.970 58.000 -0.292 0.000 1.450 407 F CB -0.046 38.669 39.000 -0.475 0.000 1.107 407 F HN 0.403 nan 8.300 nan 0.000 0.563 408 Y N -1.121 119.286 120.300 0.178 0.000 2.466 408 Y HA 0.107 4.655 4.550 -0.002 0.000 0.272 408 Y C 1.315 177.250 175.900 0.057 0.000 1.169 408 Y CA 0.008 58.176 58.100 0.114 0.000 1.285 408 Y CB -0.366 38.149 38.460 0.092 0.000 1.078 408 Y HN -0.049 nan 8.280 nan 0.000 0.523 409 N N -0.151 118.620 118.700 0.119 0.000 2.203 409 N HA 0.032 4.770 4.740 -0.003 0.000 0.207 409 N C 0.406 175.929 175.510 0.022 0.000 1.130 409 N CA 0.373 53.455 53.050 0.053 0.000 0.861 409 N CB 0.369 38.868 38.487 0.020 0.000 1.005 409 N HN 0.275 nan 8.380 nan 0.000 0.507 410 T N -3.923 110.659 114.554 0.046 0.000 2.922 410 T HA 0.469 4.818 4.350 -0.003 0.000 0.281 410 T C 0.622 175.369 174.700 0.078 0.000 1.005 410 T CA -0.570 61.575 62.100 0.075 0.000 0.982 410 T CB 2.027 70.986 68.868 0.151 0.000 1.158 410 T HN -0.242 nan 8.240 nan 0.000 0.566 411 V N 0.028 119.993 119.914 0.085 0.000 3.276 411 V HA 0.542 4.660 4.120 -0.003 0.000 0.319 411 V C 1.062 177.260 176.094 0.173 0.000 1.476 411 V CA 0.882 63.239 62.300 0.095 0.000 1.097 411 V CB -0.528 31.310 31.823 0.024 0.000 0.988 411 V HN 1.639 nan 8.190 nan 0.000 0.473 412 G N 1.228 110.128 108.800 0.167 0.000 2.553 412 G HA2 -0.250 3.709 3.960 -0.003 0.000 0.242 412 G HA3 -0.250 3.709 3.960 -0.003 0.000 0.242 412 G C -0.601 174.433 174.900 0.223 0.000 1.277 412 G CA 0.329 45.549 45.100 0.201 0.000 0.910 412 G HN 0.790 nan 8.290 nan 0.000 0.576 413 F N 3.134 123.121 119.950 0.061 0.000 2.546 413 F HA 0.712 5.238 4.527 -0.003 0.000 0.320 413 F C 0.079 175.885 175.800 0.010 0.000 1.076 413 F CA -0.513 57.485 58.000 -0.002 0.000 0.928 413 F CB 1.687 40.633 39.000 -0.090 0.000 1.189 413 F HN 0.947 nan 8.300 nan 0.000 0.465 414 N N 2.924 121.086 118.700 -0.897 0.000 2.229 414 N HA 0.231 4.969 4.740 -0.003 0.000 0.298 414 N C -1.028 173.758 175.510 -1.207 0.000 1.114 414 N CA -0.474 52.117 53.050 -0.765 0.000 0.776 414 N CB 2.127 40.482 38.487 -0.220 0.000 1.501 414 N HN 0.672 nan 8.380 nan 0.000 0.474 415 D N -0.775 119.238 120.400 -0.645 0.000 2.213 415 D HA -0.063 4.576 4.640 -0.003 0.000 0.205 415 D C -0.164 175.999 176.300 -0.228 0.000 0.961 415 D CA 0.258 54.015 54.000 -0.405 0.000 0.853 415 D CB -0.147 40.613 40.800 -0.065 0.000 0.967 415 D HN 0.707 nan 8.370 nan 0.000 0.496 416 D N -0.556 119.755 120.400 -0.148 0.000 2.737 416 D HA -0.186 4.452 4.640 -0.003 0.000 0.238 416 D C -1.137 175.144 176.300 -0.031 0.000 1.157 416 D CA 1.299 55.271 54.000 -0.047 0.000 0.694 416 D CB -1.111 39.755 40.800 0.110 0.000 1.021 416 D HN 0.312 nan 8.370 nan 0.000 0.420 417 T N -0.510 114.022 114.554 -0.037 0.000 2.900 417 T HA 0.537 4.885 4.350 -0.003 0.000 0.303 417 T C 0.577 175.319 174.700 0.070 0.000 1.142 417 T CA -0.263 61.810 62.100 -0.044 0.000 1.007 417 T CB 1.700 70.456 68.868 -0.186 0.000 1.156 417 T HN 0.229 nan 8.240 nan 0.000 0.490 418 R N 2.616 123.170 120.500 0.091 0.000 2.112 418 R HA 0.495 4.833 4.340 -0.003 0.000 0.216 418 R C 1.019 177.492 176.300 0.288 0.000 1.080 418 R CA 0.888 57.113 56.100 0.208 0.000 0.996 418 R CB -0.363 30.050 30.300 0.188 0.000 0.902 418 R HN 0.617 nan 8.270 nan 0.000 0.449 419 A N 1.356 124.244 122.820 0.114 0.000 2.500 419 A HA -0.001 4.318 4.320 -0.003 0.000 0.285 419 A C 0.478 178.102 177.584 0.068 0.000 1.183 419 A CA -0.226 51.833 52.037 0.037 0.000 0.851 419 A CB -0.724 18.221 19.000 -0.093 0.000 1.091 419 A HN 0.601 nan 8.150 nan 0.000 0.521 420 F N 3.111 123.048 119.950 -0.023 0.000 2.234 420 F HA -0.077 4.448 4.527 -0.003 0.000 0.299 420 F C 1.357 177.174 175.800 0.028 0.000 1.087 420 F CA 1.500 59.548 58.000 0.079 0.000 1.340 420 F CB -0.065 39.007 39.000 0.120 0.000 1.031 420 F HN 0.465 nan 8.300 nan 0.000 0.500 421 L N -0.373 120.717 121.223 -0.223 0.000 2.291 421 L HA -0.083 4.255 4.340 -0.003 0.000 0.214 421 L C 2.336 178.950 176.870 -0.426 0.000 1.120 421 L CA 1.286 55.940 54.840 -0.309 0.000 0.799 421 L CB -0.907 41.065 42.059 -0.145 0.000 0.925 421 L HN 0.011 nan 8.230 nan 0.000 0.446 422 S N -0.944 114.547 115.700 -0.347 0.000 2.527 422 S HA 0.080 4.548 4.470 -0.003 0.000 0.222 422 S C 1.937 176.268 174.600 -0.448 0.000 0.985 422 S CA 0.248 58.213 58.200 -0.392 0.000 0.921 422 S CB -0.164 62.792 63.200 -0.406 0.000 0.772 422 S HN 0.311 nan 8.310 nan 0.000 0.529 423 I N 2.671 122.988 120.570 -0.422 0.000 2.127 423 I HA -0.159 4.009 4.170 -0.003 0.000 0.241 423 I C -0.542 175.390 176.117 -0.307 0.000 1.075 423 I CA 1.316 62.438 61.300 -0.296 0.000 1.334 423 I CB -1.454 36.412 38.000 -0.222 0.000 1.040 423 I HN 0.215 nan 8.210 nan 0.000 0.405 424 P HA -0.131 nan 4.420 nan 0.000 0.219 424 P C 1.402 178.455 177.300 -0.410 0.000 1.150 424 P CA 1.820 64.656 63.100 -0.440 0.000 0.814 424 P CB 0.009 31.340 31.700 -0.615 0.000 0.787 425 A N 0.989 123.439 122.820 -0.616 0.000 1.858 425 A HA -0.188 4.130 4.320 -0.003 0.000 0.216 425 A C 2.444 179.846 177.584 -0.305 0.000 1.190 425 A CA 1.616 53.178 52.037 -0.791 0.000 0.617 425 A CB -1.228 17.481 19.000 -0.486 0.000 0.827 425 A HN 0.070 nan 8.150 nan 0.000 0.443 426 R N -1.727 118.589 120.500 -0.307 0.000 2.092 426 R HA -0.115 4.223 4.340 -0.003 0.000 0.231 426 R C 2.127 178.335 176.300 -0.153 0.000 1.119 426 R CA 1.647 57.617 56.100 -0.217 0.000 0.970 426 R CB -0.448 29.657 30.300 -0.324 0.000 0.864 426 R HN 0.706 nan 8.270 nan 0.000 0.440 427 H N -0.434 118.574 119.070 -0.104 0.000 2.428 427 H HA -0.074 4.480 4.556 -0.003 0.000 0.296 427 H C 1.563 176.815 175.328 -0.128 0.000 1.062 427 H CA 1.627 57.611 56.048 -0.107 0.000 1.350 427 H CB -0.014 29.765 29.762 0.029 0.000 1.403 427 H HN 0.184 nan 8.280 nan 0.000 0.533 428 D N -0.565 119.848 120.400 0.022 0.000 2.097 428 D HA -0.124 4.514 4.640 -0.003 0.000 0.197 428 D C 2.132 178.456 176.300 0.039 0.000 0.984 428 D CA 0.949 55.011 54.000 0.103 0.000 0.826 428 D CB -0.012 40.882 40.800 0.157 0.000 0.973 428 D HN 0.092 nan 8.370 nan 0.000 0.460 429 V N 0.982 120.891 119.914 -0.008 0.000 2.282 429 V HA -0.300 3.819 4.120 -0.003 0.000 0.249 429 V C 2.581 178.613 176.094 -0.104 0.000 1.057 429 V CA 1.972 64.266 62.300 -0.008 0.000 1.032 429 V CB -1.088 30.815 31.823 0.135 0.000 0.645 429 V HN 0.337 nan 8.190 nan 0.000 0.447 430 A N -0.121 122.496 122.820 -0.338 0.000 1.917 430 A HA -0.281 4.037 4.320 -0.003 0.000 0.219 430 A C 2.366 179.858 177.584 -0.153 0.000 1.182 430 A CA 2.247 53.993 52.037 -0.485 0.000 0.633 430 A CB -0.525 17.689 19.000 -1.311 0.000 0.819 430 A HN 0.557 nan 8.150 nan 0.000 0.448 431 R N -0.987 119.496 120.500 -0.029 0.000 2.115 431 R HA -0.007 4.332 4.340 -0.003 0.000 0.226 431 R C 2.442 178.889 176.300 0.244 0.000 1.100 431 R CA 1.266 57.464 56.100 0.164 0.000 0.980 431 R CB -0.211 30.263 30.300 0.290 0.000 0.875 431 R HN 0.511 nan 8.270 nan 0.000 0.445 432 R N -0.032 120.554 120.500 0.142 0.000 2.090 432 R HA -0.028 4.310 4.340 -0.003 0.000 0.228 432 R C 2.187 178.623 176.300 0.226 0.000 1.110 432 R CA 1.116 57.305 56.100 0.148 0.000 0.973 432 R CB -0.239 29.941 30.300 -0.200 0.000 0.869 432 R HN 0.048 nan 8.270 nan 0.000 0.440 433 V N 1.493 121.481 119.914 0.124 0.000 2.453 433 V HA -0.184 3.935 4.120 -0.003 0.000 0.247 433 V C 1.333 177.539 176.094 0.188 0.000 1.048 433 V CA 1.797 64.183 62.300 0.143 0.000 1.049 433 V CB -0.384 31.493 31.823 0.089 0.000 0.672 433 V HN 0.194 nan 8.190 nan 0.000 0.457 434 D N 0.080 120.577 120.400 0.162 0.000 2.144 434 D HA -0.105 4.533 4.640 -0.003 0.000 0.200 434 D C 2.443 178.859 176.300 0.194 0.000 0.978 434 D CA 1.518 55.631 54.000 0.188 0.000 0.833 434 D CB -0.176 40.706 40.800 0.138 0.000 0.961 434 D HN 0.349 nan 8.370 nan 0.000 0.470 435 S N 0.196 116.002 115.700 0.176 0.000 2.368 435 S HA -0.099 4.369 4.470 -0.003 0.000 0.224 435 S C 2.094 176.733 174.600 0.064 0.000 1.029 435 S CA 0.970 59.234 58.200 0.106 0.000 0.988 435 S CB -0.247 63.022 63.200 0.114 0.000 0.838 435 S HN 0.358 nan 8.310 nan 0.000 0.462 436 A N 1.095 124.005 122.820 0.151 0.000 1.877 436 A HA -0.092 4.226 4.320 -0.003 0.000 0.216 436 A C 1.921 179.591 177.584 0.144 0.000 1.186 436 A CA 1.518 53.646 52.037 0.152 0.000 0.620 436 A CB -0.858 18.284 19.000 0.237 0.000 0.822 436 A HN 0.497 nan 8.150 nan 0.000 0.443 437 F N 0.012 120.002 119.950 0.066 0.000 2.113 437 F HA -0.090 4.435 4.527 -0.003 0.000 0.297 437 F C 1.809 177.635 175.800 0.043 0.000 1.103 437 F CA 1.437 59.477 58.000 0.067 0.000 1.248 437 F CB -0.290 38.775 39.000 0.108 0.000 0.999 437 F HN 0.131 nan 8.300 nan 0.000 0.475 438 L N 0.680 121.926 121.223 0.039 0.000 2.046 438 L HA -0.133 4.205 4.340 -0.003 0.000 0.208 438 L C 2.736 179.490 176.870 -0.193 0.000 1.077 438 L CA 1.894 56.667 54.840 -0.111 0.000 0.747 438 L CB -1.734 40.293 42.059 -0.053 0.000 0.896 438 L HN 0.256 nan 8.230 nan 0.000 0.432 439 A N -1.104 121.640 122.820 -0.128 0.000 1.908 439 A HA -0.240 4.079 4.320 -0.003 0.000 0.218 439 A C 2.518 179.997 177.584 -0.175 0.000 1.181 439 A CA 1.598 53.558 52.037 -0.128 0.000 0.627 439 A CB -0.518 18.464 19.000 -0.029 0.000 0.818 439 A HN 0.309 nan 8.150 nan 0.000 0.445 440 R N -1.273 119.120 120.500 -0.178 0.000 2.148 440 R HA -0.066 4.273 4.340 -0.003 0.000 0.227 440 R C 1.831 177.964 176.300 -0.279 0.000 1.103 440 R CA 1.287 57.269 56.100 -0.196 0.000 0.983 440 R CB -0.236 29.958 30.300 -0.176 0.000 0.874 440 R HN 0.456 nan 8.270 nan 0.000 0.451 441 M N -0.323 119.060 119.600 -0.361 0.000 2.200 441 M HA -0.088 4.391 4.480 -0.003 0.000 0.265 441 M C 2.289 178.419 176.300 -0.282 0.000 1.066 441 M CA 1.033 56.142 55.300 -0.319 0.000 1.127 441 M CB -0.713 31.696 32.600 -0.318 0.000 1.379 441 M HN -0.080 nan 8.290 nan 0.000 0.420 442 V N 0.625 120.329 119.914 -0.350 0.000 2.307 442 V HA -0.177 3.942 4.120 -0.003 0.000 0.245 442 V C 2.708 178.484 176.094 -0.530 0.000 1.045 442 V CA 1.766 63.792 62.300 -0.457 0.000 1.024 442 V CB -1.446 29.932 31.823 -0.741 0.000 0.651 442 V HN 0.467 nan 8.190 nan 0.000 0.449 443 A N -0.465 122.070 122.820 -0.475 0.000 2.024 443 A HA -0.224 4.094 4.320 -0.003 0.000 0.220 443 A C 2.004 179.264 177.584 -0.541 0.000 1.164 443 A CA 1.786 53.624 52.037 -0.332 0.000 0.643 443 A CB -0.397 18.555 19.000 -0.080 0.000 0.806 443 A HN 0.668 nan 8.150 nan 0.000 0.451 444 E N -1.130 118.807 120.200 -0.439 0.000 2.463 444 E HA 0.054 4.402 4.350 -0.003 0.000 0.193 444 E C -0.608 175.824 176.600 -0.281 0.000 1.041 444 E CA -0.070 56.126 56.400 -0.341 0.000 0.879 444 E CB 0.031 29.627 29.700 -0.174 0.000 0.997 444 E HN 0.691 nan 8.360 nan 0.000 0.478 445 H N -0.614 118.404 119.070 -0.087 0.000 2.791 445 H HA -0.174 4.380 4.556 -0.003 0.000 0.302 445 H C 0.863 176.151 175.328 -0.066 0.000 1.198 445 H CA 0.766 56.768 56.048 -0.077 0.000 1.145 445 H CB -1.600 28.135 29.762 -0.045 0.000 1.385 445 H HN 0.298 nan 8.280 nan 0.000 0.409 446 R N -0.112 120.367 120.500 -0.034 0.000 2.254 446 R HA 0.199 4.537 4.340 -0.003 0.000 0.195 446 R C 1.336 177.623 176.300 -0.020 0.000 0.957 446 R CA 1.040 57.124 56.100 -0.027 0.000 1.024 446 R CB 0.585 30.849 30.300 -0.061 0.000 0.952 446 R HN 0.454 nan 8.270 nan 0.000 0.484 447 M N -0.964 118.607 119.600 -0.049 0.000 2.569 447 M HA 0.436 4.914 4.480 -0.003 0.000 0.279 447 M C -1.954 174.311 176.300 -0.059 0.000 1.253 447 M CA -0.952 54.326 55.300 -0.036 0.000 0.867 447 M CB 2.568 35.148 32.600 -0.033 0.000 1.727 447 M HN -0.332 nan 8.290 nan 0.000 0.467 448 D N 1.765 122.142 120.400 -0.038 0.000 2.312 448 D HA 0.286 4.924 4.640 -0.003 0.000 0.248 448 D C 0.863 177.119 176.300 -0.073 0.000 1.086 448 D CA -0.403 53.573 54.000 -0.041 0.000 0.948 448 D CB 1.960 42.752 40.800 -0.012 0.000 1.162 448 D HN 0.733 nan 8.370 nan 0.000 0.446 449 L N 1.360 122.538 121.223 -0.075 0.000 2.131 449 L HA -0.172 4.166 4.340 -0.003 0.000 0.210 449 L C 2.053 178.902 176.870 -0.035 0.000 1.092 449 L CA 0.811 55.607 54.840 -0.073 0.000 0.759 449 L CB 0.049 42.100 42.059 -0.014 0.000 0.903 449 L HN 0.237 nan 8.230 nan 0.000 0.435 450 V N -0.439 119.465 119.914 -0.017 0.000 2.332 450 V HA -0.300 3.818 4.120 -0.003 0.000 0.248 450 V C 2.220 178.308 176.094 -0.010 0.000 1.055 450 V CA 1.949 64.246 62.300 -0.006 0.000 1.038 450 V CB -0.657 31.167 31.823 0.002 0.000 0.651 450 V HN 0.494 nan 8.190 nan 0.000 0.450 451 E N 0.630 120.820 120.200 -0.016 0.000 2.072 451 E HA -0.115 4.234 4.350 -0.003 0.000 0.191 451 E C 2.354 178.921 176.600 -0.055 0.000 0.985 451 E CA 1.227 57.620 56.400 -0.012 0.000 0.801 451 E CB -0.367 29.333 29.700 0.000 0.000 0.750 451 E HN 0.598 nan 8.360 nan 0.000 0.452 452 A N 1.276 124.046 122.820 -0.083 0.000 1.969 452 A HA -0.213 4.106 4.320 -0.003 0.000 0.218 452 A C 1.899 179.433 177.584 -0.083 0.000 1.169 452 A CA 1.293 53.259 52.037 -0.118 0.000 0.635 452 A CB -0.303 18.618 19.000 -0.131 0.000 0.810 452 A HN 0.141 nan 8.150 nan 0.000 0.445 453 E N -0.416 119.756 120.200 -0.047 0.000 2.106 453 E HA -0.166 4.183 4.350 -0.003 0.000 0.192 453 E C 1.974 178.563 176.600 -0.017 0.000 0.984 453 E CA 1.130 57.516 56.400 -0.024 0.000 0.806 453 E CB -0.107 29.588 29.700 -0.009 0.000 0.750 453 E HN 0.706 nan 8.360 nan 0.000 0.458 454 E N 0.411 120.604 120.200 -0.012 0.000 2.106 454 E HA -0.157 4.191 4.350 -0.003 0.000 0.192 454 E C 2.136 178.736 176.600 0.001 0.000 0.984 454 E CA 0.604 57.011 56.400 0.012 0.000 0.806 454 E CB 0.073 29.796 29.700 0.037 0.000 0.750 454 E HN 0.233 nan 8.360 nan 0.000 0.458 455 L N 0.422 121.604 121.223 -0.067 0.000 2.044 455 L HA -0.159 4.180 4.340 -0.003 0.000 0.205 455 L C 2.363 179.158 176.870 -0.125 0.000 1.075 455 L CA 0.653 55.394 54.840 -0.165 0.000 0.747 455 L CB -0.350 41.465 42.059 -0.406 0.000 0.903 455 L HN 0.196 nan 8.230 nan 0.000 0.435 456 I N -2.321 118.201 120.570 -0.080 0.000 2.361 456 I HA -0.174 3.994 4.170 -0.003 0.000 0.251 456 I C 2.223 178.361 176.117 0.036 0.000 1.133 456 I CA 1.152 62.445 61.300 -0.011 0.000 1.413 456 I CB -1.155 36.858 38.000 0.021 0.000 1.073 456 I HN -0.104 nan 8.210 nan 0.000 0.424 457 V N 1.112 121.045 119.914 0.033 0.000 2.453 457 V HA -0.205 3.913 4.120 -0.003 0.000 0.247 457 V C 2.176 178.341 176.094 0.118 0.000 1.048 457 V CA 2.039 64.378 62.300 0.066 0.000 1.049 457 V CB -0.907 30.939 31.823 0.037 0.000 0.672 457 V HN 0.327 nan 8.190 nan 0.000 0.457 458 D N 0.289 120.744 120.400 0.093 0.000 2.084 458 D HA -0.121 4.518 4.640 -0.003 0.000 0.194 458 D C 1.960 178.328 176.300 0.114 0.000 0.990 458 D CA 1.109 55.182 54.000 0.121 0.000 0.826 458 D CB -0.321 40.555 40.800 0.127 0.000 0.971 458 D HN 0.205 nan 8.370 nan 0.000 0.453 459 L N 0.457 121.718 121.223 0.064 0.000 2.131 459 L HA -0.111 4.227 4.340 -0.003 0.000 0.210 459 L C 2.328 179.286 176.870 0.146 0.000 1.092 459 L CA 1.566 56.460 54.840 0.089 0.000 0.759 459 L CB -0.904 41.187 42.059 0.054 0.000 0.903 459 L HN 0.058 nan 8.230 nan 0.000 0.435 460 T N -3.089 111.561 114.554 0.160 0.000 2.937 460 T HA -0.096 4.252 4.350 -0.003 0.000 0.260 460 T C 1.401 176.260 174.700 0.265 0.000 1.051 460 T CA 1.235 63.461 62.100 0.210 0.000 1.141 460 T CB -0.027 68.954 68.868 0.189 0.000 0.879 460 T HN 0.284 nan 8.240 nan 0.000 0.459 461 Y N 0.489 120.847 120.300 0.096 0.000 2.921 461 Y HA 0.287 4.835 4.550 -0.003 0.000 0.246 461 Y C 1.957 177.907 175.900 0.084 0.000 1.030 461 Y CA -0.061 58.089 58.100 0.082 0.000 1.338 461 Y CB 0.260 38.752 38.460 0.053 0.000 1.493 461 Y HN -0.073 nan 8.280 nan 0.000 0.452 462 N N 0.507 119.338 118.700 0.218 0.000 2.135 462 N HA -0.107 4.631 4.740 -0.003 0.000 0.186 462 N C 1.579 177.142 175.510 0.089 0.000 1.027 462 N CA 1.344 54.477 53.050 0.139 0.000 0.849 462 N CB -0.374 38.222 38.487 0.181 0.000 1.002 462 N HN 0.258 nan 8.380 nan 0.000 0.425 463 L N 1.229 122.526 121.223 0.123 0.000 2.027 463 L HA -0.020 4.318 4.340 -0.003 0.000 0.206 463 L C -0.652 176.294 176.870 0.126 0.000 1.074 463 L CA 1.682 56.600 54.840 0.130 0.000 0.745 463 L CB -1.797 40.349 42.059 0.146 0.000 0.898 463 L HN 0.103 nan 8.230 nan 0.000 0.433 464 P HA -0.185 nan 4.420 nan 0.000 0.215 464 P C 1.645 179.049 177.300 0.173 0.000 1.153 464 P CA 1.419 64.635 63.100 0.193 0.000 0.853 464 P CB 0.049 31.826 31.700 0.129 0.000 0.788 465 K N -0.153 120.257 120.400 0.018 0.000 2.057 465 K HA -0.134 4.184 4.320 -0.003 0.000 0.207 465 K C 2.026 178.649 176.600 0.039 0.000 1.049 465 K CA 1.438 57.709 56.287 -0.026 0.000 0.931 465 K CB -0.157 32.235 32.500 -0.180 0.000 0.714 465 K HN 0.095 nan 8.250 nan 0.000 0.440 466 K N -0.091 120.337 120.400 0.046 0.000 2.062 466 K HA -0.061 4.258 4.320 -0.003 0.000 0.205 466 K C 2.110 178.734 176.600 0.040 0.000 1.051 466 K CA 1.117 57.430 56.287 0.043 0.000 0.941 466 K CB -0.036 32.494 32.500 0.050 0.000 0.719 466 K HN 0.091 nan 8.250 nan 0.000 0.440 467 A N 0.261 123.112 122.820 0.050 0.000 1.930 467 A HA -0.121 4.197 4.320 -0.003 0.000 0.217 467 A C 1.343 178.839 177.584 -0.147 0.000 1.175 467 A CA 1.164 53.173 52.037 -0.047 0.000 0.627 467 A CB -0.449 18.518 19.000 -0.056 0.000 0.815 467 A HN 0.307 nan 8.150 nan 0.000 0.443 468 Y N -0.647 119.665 120.300 0.020 0.000 2.493 468 Y HA 0.219 4.768 4.550 -0.003 0.000 0.275 468 Y C 0.333 176.246 175.900 0.022 0.000 1.183 468 Y CA 0.086 58.201 58.100 0.026 0.000 1.258 468 Y CB -0.082 38.400 38.460 0.037 0.000 1.108 468 Y HN 0.289 nan 8.280 nan 0.000 0.521 469 K N -0.185 120.278 120.400 0.106 0.000 3.077 469 K HA -0.220 4.098 4.320 -0.003 0.000 0.264 469 K C 0.008 176.646 176.600 0.065 0.000 1.008 469 K CA 0.067 56.391 56.287 0.062 0.000 0.740 469 K CB -1.331 31.195 32.500 0.043 0.000 1.273 469 K HN 0.206 nan 8.250 nan 0.000 0.477 470 L N 0.488 121.747 121.223 0.060 0.000 2.629 470 L HA 0.042 4.380 4.340 -0.003 0.000 0.230 470 L C 1.284 178.126 176.870 -0.047 0.000 1.151 470 L CA 1.084 55.937 54.840 0.022 0.000 0.924 470 L CB 0.150 42.220 42.059 0.018 0.000 1.137 470 L HN 0.138 nan 8.230 nan 0.000 0.457 471 D N -0.294 120.087 120.400 -0.031 0.000 2.178 471 D HA -0.101 4.538 4.640 -0.003 0.000 0.202 471 D C 0.714 176.976 176.300 -0.063 0.000 0.974 471 D CA 0.941 54.915 54.000 -0.043 0.000 0.841 471 D CB 0.116 40.905 40.800 -0.019 0.000 0.953 471 D HN 0.301 nan 8.370 nan 0.000 0.478 472 Q N 1.171 120.934 119.800 -0.061 0.000 2.421 472 Q HA 0.244 4.582 4.340 -0.003 0.000 0.242 472 Q C -0.398 175.520 176.000 -0.137 0.000 1.024 472 Q CA -0.330 55.426 55.803 -0.078 0.000 0.891 472 Q CB 1.135 29.846 28.738 -0.045 0.000 1.222 472 Q HN -0.109 nan 8.270 nan 0.000 0.483 473 R N 2.811 123.189 120.500 -0.203 0.000 2.491 473 R HA 0.262 4.601 4.340 -0.003 0.000 0.283 473 R C -2.151 173.965 176.300 -0.307 0.000 1.072 473 R CA -1.605 54.289 56.100 -0.343 0.000 1.048 473 R CB -0.268 29.819 30.300 -0.355 0.000 0.983 473 R HN 0.439 nan 8.270 nan 0.000 0.450 474 P HA 0.185 nan 4.420 nan 0.000 0.276 474 P C -0.273 176.749 177.300 -0.463 0.000 1.244 474 P CA -0.451 62.396 63.100 -0.421 0.000 0.801 474 P CB 0.608 31.925 31.700 -0.639 0.000 1.006 475 D N -0.345 119.914 120.400 -0.235 0.000 2.312 475 D HA -0.077 4.561 4.640 -0.003 0.000 0.211 475 D C 1.298 177.569 176.300 -0.050 0.000 0.964 475 D CA 0.710 54.640 54.000 -0.116 0.000 0.877 475 D CB -0.308 40.484 40.800 -0.014 0.000 0.924 475 D HN 0.586 nan 8.370 nan 0.000 0.515 476 W N 0.479 121.773 121.300 -0.010 0.000 2.800 476 W HA 0.424 5.082 4.660 -0.003 0.000 0.249 476 W C 0.099 176.594 176.519 -0.040 0.000 1.294 476 W CA -0.192 57.143 57.345 -0.017 0.000 1.402 476 W CB -0.378 29.080 29.460 -0.004 0.000 1.126 476 W HN -0.148 nan 8.180 nan 0.000 0.652 477 A N 2.034 124.621 122.820 -0.389 0.000 2.320 477 A HA 0.574 4.892 4.320 -0.003 0.000 0.334 477 A C 0.150 177.575 177.584 -0.265 0.000 1.147 477 A CA -1.016 50.792 52.037 -0.381 0.000 0.820 477 A CB 0.730 19.320 19.000 -0.683 0.000 1.218 477 A HN 0.145 nan 8.150 nan 0.000 0.482 478 R N 1.371 121.738 120.500 -0.221 0.000 2.640 478 R HA 0.162 4.501 4.340 -0.003 0.000 0.270 478 R C -2.132 174.066 176.300 -0.171 0.000 1.024 478 R CA -0.847 55.151 56.100 -0.168 0.000 1.085 478 R CB 0.026 30.233 30.300 -0.154 0.000 0.963 478 R HN 0.533 nan 8.270 nan 0.000 0.426 479 P HA 0.011 nan 4.420 nan 0.000 0.268 479 P C -1.048 176.197 177.300 -0.090 0.000 1.205 479 P CA -0.097 62.934 63.100 -0.114 0.000 0.771 479 P CB 0.755 32.407 31.700 -0.080 0.000 0.858 480 A N 2.530 125.300 122.820 -0.083 0.000 2.454 480 A HA 0.488 4.807 4.320 -0.003 0.000 0.260 480 A C 0.558 178.137 177.584 -0.009 0.000 1.106 480 A CA 0.382 52.399 52.037 -0.034 0.000 0.780 480 A CB -0.349 18.645 19.000 -0.009 0.000 1.044 480 A HN 0.603 nan 8.150 nan 0.000 0.498 481 T N 0.000 114.551 114.554 -0.006 0.000 3.816 481 T HA 0.000 4.348 4.350 -0.003 0.000 0.228 481 T CA 0.000 62.087 62.100 -0.021 0.000 1.349 481 T CB 0.000 68.852 68.868 -0.026 0.000 0.612 481 T HN 0.000 nan 8.240 nan 0.000 0.658