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 3pm9_1_E DATA FIRST_RESID 11 DATA SEQUENCE TLSPELIARF TAIVGDKHAL TDPLELEAYI TEERNLYRGH SPLVLRPGST DATA SEQUENCE EEVVAICKLA NEARVALVPQ GGNTGLVGGQ TPHNGEVVIS LKRXDKIREI DATA SEQUENCE DTSSNTITVE AGAILQRVQE KAAEVDRLFP LSLGAQGSCT IGGNLSTNAG DATA SEQUENCE GTAALAYGLA RDXALGVEVV LADGRVXNLL SKLKKDNTGY DLRDLFIGAE DATA SEQUENCE GTLGIITAAT LKLFPKPRAV ETAFVGLQSP DDALKLLGIA QGEAAGNLTS DATA SEQUENCE FELIAETPLD FSVRHANNRD PLEARYPWYV LIELSSPRDD ARAALESILE DATA SEQUENCE RGFEDGIVVD AAIANSVQQQ QAFWKLREEI SPAQKPEGGS IKHDISVPVA DATA SEQUENCE AVPQFIEQAN AAVVALIPGA RPVPFGHLGD GNIHYNVSQP VGADKAEFLA DATA SEQUENCE RWHDVSQVVF EVVLRLGGSI SAEHGIGVXK RDELAEVKDK TAIELXRSIK DATA SEQUENCE ALLDPHGIXN PGKVV 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 11 T HA 0.000 nan 4.350 nan 0.000 0.228 11 T C 0.000 174.727 174.700 0.046 0.000 1.109 11 T CA 0.000 62.126 62.100 0.043 0.000 1.349 11 T CB 0.000 68.890 68.868 0.036 0.000 0.612 12 L N 3.356 124.611 121.223 0.054 0.000 2.361 12 L HA 0.517 4.857 4.340 0.000 0.000 0.278 12 L C 0.809 177.713 176.870 0.056 0.000 1.113 12 L CA 0.139 55.019 54.840 0.065 0.000 0.849 12 L CB 0.204 42.311 42.059 0.080 0.000 1.155 12 L HN 0.842 nan 8.230 nan 0.000 0.452 13 S N 5.217 120.946 115.700 0.048 0.000 2.573 13 S HA 0.257 4.728 4.470 0.000 0.000 0.277 13 S C -1.716 172.905 174.600 0.033 0.000 1.346 13 S CA -0.681 57.538 58.200 0.031 0.000 1.034 13 S CB 0.400 63.610 63.200 0.017 0.000 0.879 13 S HN 0.638 nan 8.310 nan 0.000 0.528 14 P HA -0.107 nan 4.420 nan 0.000 0.216 14 P C 1.498 178.803 177.300 0.009 0.000 1.150 14 P CA 1.390 64.501 63.100 0.019 0.000 0.837 14 P CB 0.020 31.726 31.700 0.011 0.000 0.786 15 E N 0.199 120.396 120.200 -0.004 0.000 2.033 15 E HA -0.191 4.159 4.350 0.000 0.000 0.199 15 E C 1.892 178.463 176.600 -0.049 0.000 1.011 15 E CA 1.480 57.864 56.400 -0.026 0.000 0.815 15 E CB -1.240 28.440 29.700 -0.032 0.000 0.755 15 E HN 0.102 nan 8.360 nan 0.000 0.451 16 L N 0.133 121.330 121.223 -0.044 0.000 2.083 16 L HA -0.130 4.210 4.340 0.000 0.000 0.209 16 L C 2.639 179.515 176.870 0.010 0.000 1.083 16 L CA 1.013 55.794 54.840 -0.099 0.000 0.752 16 L CB -0.409 41.639 42.059 -0.019 0.000 0.899 16 L HN 0.256 nan 8.230 nan 0.000 0.433 17 I N -0.104 120.529 120.570 0.105 0.000 2.226 17 I HA -0.305 3.865 4.170 0.000 0.000 0.245 17 I C 2.790 178.970 176.117 0.105 0.000 1.100 17 I CA 1.215 62.610 61.300 0.158 0.000 1.374 17 I CB -0.439 37.618 38.000 0.095 0.000 1.057 17 I HN 0.220 nan 8.210 nan 0.000 0.413 18 A N 0.883 123.724 122.820 0.035 0.000 1.898 18 A HA -0.181 4.139 4.320 0.000 0.000 0.216 18 A C 2.397 179.978 177.584 -0.005 0.000 1.181 18 A CA 1.362 53.407 52.037 0.014 0.000 0.620 18 A CB -0.506 18.491 19.000 -0.006 0.000 0.819 18 A HN 0.312 nan 8.150 nan 0.000 0.442 19 R N -1.713 118.745 120.500 -0.071 0.000 2.075 19 R HA -0.076 4.264 4.340 0.000 0.000 0.232 19 R C 1.853 178.092 176.300 -0.101 0.000 1.126 19 R CA 1.521 57.540 56.100 -0.135 0.000 0.963 19 R CB -0.482 29.667 30.300 -0.252 0.000 0.858 19 R HN 0.520 nan 8.270 nan 0.000 0.435 20 F N 0.784 120.731 119.950 -0.005 0.000 2.146 20 F HA -0.146 4.381 4.527 0.000 0.000 0.298 20 F C 2.604 178.401 175.800 -0.004 0.000 1.096 20 F CA 1.304 59.300 58.000 -0.006 0.000 1.275 20 F CB -0.941 38.052 39.000 -0.012 0.000 1.008 20 F HN -0.054 nan 8.300 nan 0.000 0.480 21 T N -0.014 114.650 114.554 0.183 0.000 2.684 21 T HA -0.241 4.109 4.350 0.000 0.000 0.267 21 T C 2.289 177.033 174.700 0.073 0.000 1.036 21 T CA 1.526 63.685 62.100 0.099 0.000 1.148 21 T CB -0.742 68.162 68.868 0.059 0.000 0.863 21 T HN 0.288 nan 8.240 nan 0.000 0.436 22 A N 0.820 123.671 122.820 0.051 0.000 1.978 22 A HA -0.065 4.255 4.320 0.000 0.000 0.220 22 A C 2.261 179.872 177.584 0.045 0.000 1.170 22 A CA 1.277 53.333 52.037 0.032 0.000 0.636 22 A CB -0.783 18.221 19.000 0.008 0.000 0.810 22 A HN 0.568 nan 8.150 nan 0.000 0.448 23 I N -0.180 120.429 120.570 0.065 0.000 2.202 23 I HA -0.189 3.981 4.170 0.000 0.000 0.242 23 I C 2.269 178.430 176.117 0.073 0.000 1.091 23 I CA 1.699 63.040 61.300 0.068 0.000 1.368 23 I CB -0.124 37.935 38.000 0.099 0.000 1.058 23 I HN 0.340 nan 8.210 nan 0.000 0.410 24 V N -1.762 118.208 119.914 0.093 0.000 3.590 24 V HA 0.507 4.627 4.120 0.000 0.000 0.265 24 V C 0.840 177.047 176.094 0.188 0.000 1.239 24 V CA 0.188 62.555 62.300 0.112 0.000 1.117 24 V CB -0.736 31.150 31.823 0.105 0.000 0.818 24 V HN 0.482 nan 8.190 nan 0.000 0.451 25 G N 2.155 111.028 108.800 0.120 0.000 2.895 25 G HA2 -0.175 3.785 3.960 0.000 0.000 0.686 25 G HA3 -0.175 3.785 3.960 0.000 0.000 0.686 25 G C 0.117 175.018 174.900 0.002 0.000 1.108 25 G CA 0.117 45.262 45.100 0.075 0.000 0.761 25 G HN 0.627 nan 8.290 nan 0.000 0.611 26 D N 1.415 121.791 120.400 -0.040 0.000 2.182 26 D HA -0.151 4.489 4.640 0.000 0.000 0.201 26 D C 1.726 177.952 176.300 -0.123 0.000 0.986 26 D CA 1.502 55.470 54.000 -0.054 0.000 0.847 26 D CB -0.040 40.736 40.800 -0.041 0.000 0.942 26 D HN 0.664 nan 8.370 nan 0.000 0.467 27 K N -0.551 119.690 120.400 -0.264 0.000 2.442 27 K HA -0.110 4.210 4.320 0.000 0.000 0.198 27 K C 0.704 177.050 176.600 -0.424 0.000 1.044 27 K CA 0.861 56.916 56.287 -0.386 0.000 0.948 27 K CB -0.175 31.995 32.500 -0.549 0.000 0.762 27 K HN 0.522 nan 8.250 nan 0.000 0.472 28 H N -1.525 117.543 119.070 -0.002 0.000 2.581 28 H HA 0.337 4.893 4.556 0.000 0.000 0.275 28 H C -0.623 174.684 175.328 -0.036 0.000 1.126 28 H CA -0.500 55.540 56.048 -0.013 0.000 1.097 28 H CB 1.088 30.845 29.762 -0.009 0.000 1.626 28 H HN 0.017 nan 8.280 nan 0.000 0.565 29 A N 1.915 124.750 122.820 0.024 0.000 2.332 29 A HA 0.544 4.864 4.320 0.000 0.000 0.300 29 A C -0.863 176.705 177.584 -0.028 0.000 1.153 29 A CA -0.617 51.416 52.037 -0.007 0.000 0.764 29 A CB 0.571 19.580 19.000 0.016 0.000 1.174 29 A HN 0.268 nan 8.150 nan 0.000 0.467 30 L N 2.765 123.952 121.223 -0.060 0.000 2.296 30 L HA 0.588 4.928 4.340 0.000 0.000 0.286 30 L C 1.039 177.886 176.870 -0.038 0.000 1.023 30 L CA -0.390 54.424 54.840 -0.044 0.000 0.812 30 L CB 1.943 43.970 42.059 -0.054 0.000 1.223 30 L HN 0.891 nan 8.230 nan 0.000 0.421 31 T N -3.859 110.689 114.554 -0.009 0.000 2.986 31 T HA 0.052 4.402 4.350 0.000 0.000 0.264 31 T C 0.338 175.047 174.700 0.014 0.000 0.964 31 T CA -0.338 61.762 62.100 0.001 0.000 0.895 31 T CB 0.261 69.133 68.868 0.007 0.000 1.163 31 T HN 0.419 nan 8.240 nan 0.000 0.517 32 D N 3.331 123.742 120.400 0.018 0.000 2.358 32 D HA 0.198 4.838 4.640 0.000 0.000 0.258 32 D C -1.534 174.786 176.300 0.035 0.000 1.223 32 D CA -1.974 52.040 54.000 0.024 0.000 0.886 32 D CB 1.839 42.653 40.800 0.023 0.000 1.120 32 D HN -0.021 nan 8.370 nan 0.000 0.482 33 P HA -0.174 nan 4.420 nan 0.000 0.216 33 P C 1.736 179.062 177.300 0.044 0.000 1.154 33 P CA 1.042 64.165 63.100 0.039 0.000 0.865 33 P CB 0.210 31.928 31.700 0.031 0.000 0.789 34 L N -0.692 120.553 121.223 0.037 0.000 2.042 34 L HA -0.208 4.132 4.340 0.000 0.000 0.210 34 L C 2.384 179.283 176.870 0.049 0.000 1.076 34 L CA 1.697 56.558 54.840 0.035 0.000 0.749 34 L CB -0.902 41.173 42.059 0.027 0.000 0.893 34 L HN 0.060 nan 8.230 nan 0.000 0.432 35 E N -0.028 120.211 120.200 0.064 0.000 2.107 35 E HA -0.142 4.208 4.350 0.000 0.000 0.191 35 E C 2.314 179.019 176.600 0.174 0.000 0.982 35 E CA 0.736 57.198 56.400 0.102 0.000 0.809 35 E CB -0.053 29.705 29.700 0.096 0.000 0.756 35 E HN 0.458 nan 8.360 nan 0.000 0.459 36 L N 1.043 122.352 121.223 0.143 0.000 2.275 36 L HA -0.156 4.184 4.340 0.000 0.000 0.215 36 L C 2.436 179.409 176.870 0.172 0.000 1.119 36 L CA 0.629 55.578 54.840 0.182 0.000 0.790 36 L CB -0.234 41.879 42.059 0.090 0.000 0.919 36 L HN 0.096 nan 8.230 nan 0.000 0.443 37 E N 1.125 121.383 120.200 0.097 0.000 2.097 37 E HA -0.257 4.093 4.350 0.000 0.000 0.196 37 E C 2.139 178.746 176.600 0.012 0.000 1.000 37 E CA 1.732 58.162 56.400 0.050 0.000 0.804 37 E CB -0.102 29.615 29.700 0.028 0.000 0.740 37 E HN 0.395 nan 8.360 nan 0.000 0.454 38 A N -1.146 121.648 122.820 -0.044 0.000 2.067 38 A HA -0.106 4.214 4.320 0.000 0.000 0.219 38 A C 1.565 178.969 177.584 -0.300 0.000 1.158 38 A CA 1.260 53.173 52.037 -0.207 0.000 0.661 38 A CB -0.552 18.242 19.000 -0.343 0.000 0.801 38 A HN 0.435 nan 8.150 nan 0.000 0.452 39 Y N -0.487 119.805 120.300 -0.014 0.000 2.503 39 Y HA 0.173 4.723 4.550 0.000 0.000 0.277 39 Y C 2.015 177.889 175.900 -0.043 0.000 1.102 39 Y CA 0.534 58.617 58.100 -0.027 0.000 1.261 39 Y CB -0.058 38.383 38.460 -0.032 0.000 1.096 39 Y HN 0.406 nan 8.280 nan 0.000 0.546 40 I N -2.657 117.974 120.570 0.102 0.000 3.578 40 I HA 0.146 4.316 4.170 0.000 0.000 0.295 40 I C 0.573 176.694 176.117 0.007 0.000 1.280 40 I CA 0.708 62.026 61.300 0.029 0.000 1.347 40 I CB 0.159 38.183 38.000 0.040 0.000 1.051 40 I HN 0.005 nan 8.210 nan 0.000 0.460 41 T N 1.711 116.272 114.554 0.011 0.000 2.906 41 T HA 0.418 4.768 4.350 0.000 0.000 0.295 41 T C -0.914 173.788 174.700 0.004 0.000 1.075 41 T CA -0.636 61.473 62.100 0.016 0.000 1.005 41 T CB 1.851 70.729 68.868 0.018 0.000 1.136 41 T HN 0.461 nan 8.240 nan 0.000 0.498 42 E N 1.455 121.669 120.200 0.023 0.000 2.339 42 E HA 0.531 4.881 4.350 0.000 0.000 0.262 42 E C 1.140 177.749 176.600 0.016 0.000 0.934 42 E CA -0.065 56.346 56.400 0.017 0.000 0.802 42 E CB 0.384 30.108 29.700 0.039 0.000 1.275 42 E HN 0.702 nan 8.360 nan 0.000 0.427 43 E N 0.908 121.115 120.200 0.012 0.000 2.072 43 E HA -0.314 4.036 4.350 0.000 0.000 0.218 43 E C 1.991 178.604 176.600 0.021 0.000 1.051 43 E CA 3.364 59.773 56.400 0.014 0.000 0.880 43 E CB -1.393 28.319 29.700 0.020 0.000 0.783 43 E HN 0.744 nan 8.360 nan 0.000 0.473 44 R N 0.197 120.714 120.500 0.029 0.000 2.823 44 R HA 0.436 4.776 4.340 0.000 0.000 0.250 44 R C 1.640 177.946 176.300 0.011 0.000 1.332 44 R CA 1.759 57.877 56.100 0.029 0.000 1.259 44 R CB -2.079 28.245 30.300 0.040 0.000 1.225 44 R HN 1.767 nan 8.270 nan 0.000 0.545 45 N N 0.052 118.759 118.700 0.011 0.000 2.693 45 N HA -0.218 4.522 4.740 0.000 0.000 0.255 45 N C 1.269 176.757 175.510 -0.036 0.000 0.975 45 N CA 1.427 54.477 53.050 -0.000 0.000 0.792 45 N CB -1.948 36.536 38.487 -0.005 0.000 0.931 45 N HN 0.658 nan 8.380 nan 0.000 0.541 46 L N -2.565 118.637 121.223 -0.034 0.000 1.993 46 L HA 0.133 4.473 4.340 0.000 0.000 0.206 46 L C 0.797 177.492 176.870 -0.291 0.000 1.074 46 L CA 1.125 55.857 54.840 -0.179 0.000 0.746 46 L CB -0.113 41.890 42.059 -0.094 0.000 0.896 46 L HN 0.620 nan 8.230 nan 0.000 0.435 47 Y N -1.301 119.006 120.300 0.011 0.000 2.509 47 Y HA 0.533 5.083 4.550 0.000 0.000 0.341 47 Y C -0.023 175.902 175.900 0.040 0.000 1.038 47 Y CA -0.907 57.228 58.100 0.057 0.000 1.089 47 Y CB 1.394 39.957 38.460 0.171 0.000 1.241 47 Y HN -0.088 nan 8.280 nan 0.000 0.468 48 R N 1.253 121.879 120.500 0.211 0.000 2.388 48 R HA 0.635 4.975 4.340 0.000 0.000 0.314 48 R C -0.347 176.042 176.300 0.148 0.000 0.959 48 R CA -0.383 55.795 56.100 0.131 0.000 0.851 48 R CB 0.762 31.116 30.300 0.089 0.000 1.168 48 R HN 0.949 nan 8.270 nan 0.000 0.472 49 G N 2.024 110.862 108.800 0.064 0.000 2.613 49 G HA2 0.362 4.322 3.960 0.000 0.000 0.303 49 G HA3 0.362 4.322 3.960 0.000 0.000 0.303 49 G C -1.091 173.862 174.900 0.089 0.000 1.312 49 G CA -0.445 44.657 45.100 0.004 0.000 1.036 49 G HN 0.773 nan 8.290 nan 0.000 0.513 50 H N -2.035 117.030 119.070 -0.009 0.000 2.856 50 H HA 0.702 5.258 4.556 0.000 0.000 0.355 50 H C -1.650 173.672 175.328 -0.011 0.000 1.079 50 H CA -0.775 55.274 56.048 0.002 0.000 1.240 50 H CB 1.491 31.263 29.762 0.016 0.000 1.701 50 H HN 0.512 nan 8.280 nan 0.000 0.527 51 S N 2.982 118.708 115.700 0.043 0.000 2.540 51 S HA 0.363 4.833 4.470 0.000 0.000 0.275 51 S C -2.111 172.503 174.600 0.023 0.000 1.123 51 S CA -1.228 56.965 58.200 -0.012 0.000 0.907 51 S CB 1.894 65.060 63.200 -0.058 0.000 1.081 51 S HN 0.642 nan 8.310 nan 0.000 0.476 52 P HA 0.288 nan 4.420 nan 0.000 0.245 52 P C -0.370 176.924 177.300 -0.011 0.000 1.203 52 P CA 0.143 63.254 63.100 0.018 0.000 0.792 52 P CB 0.138 31.857 31.700 0.032 0.000 0.997 53 L N -0.732 120.459 121.223 -0.054 0.000 2.545 53 L HA 0.436 4.776 4.340 0.000 0.000 0.258 53 L C -1.722 175.048 176.870 -0.168 0.000 0.942 53 L CA -0.952 53.833 54.840 -0.093 0.000 0.855 53 L CB 2.505 44.511 42.059 -0.088 0.000 1.374 53 L HN -0.407 nan 8.230 nan 0.000 0.411 54 V N 5.464 125.253 119.914 -0.208 0.000 2.483 54 V HA 0.540 4.660 4.120 0.000 0.000 0.297 54 V C -0.467 175.460 176.094 -0.279 0.000 1.027 54 V CA -0.450 61.649 62.300 -0.335 0.000 0.855 54 V CB 1.698 33.160 31.823 -0.601 0.000 0.995 54 V HN 0.614 nan 8.190 nan 0.000 0.424 55 L N 5.626 126.698 121.223 -0.251 0.000 2.317 55 L HA 0.647 4.987 4.340 0.000 0.000 0.281 55 L C 0.253 177.041 176.870 -0.136 0.000 1.024 55 L CA -0.620 54.126 54.840 -0.158 0.000 0.810 55 L CB 1.754 43.719 42.059 -0.156 0.000 1.240 55 L HN 0.549 nan 8.230 nan 0.000 0.427 56 R N 3.126 123.587 120.500 -0.064 0.000 2.724 56 R HA 0.285 4.625 4.340 0.000 0.000 0.284 56 R C -2.497 173.765 176.300 -0.063 0.000 1.481 56 R CA -1.646 54.425 56.100 -0.049 0.000 1.652 56 R CB 0.420 30.718 30.300 -0.003 0.000 1.175 56 R HN 0.337 nan 8.270 nan 0.000 0.613 57 P HA 0.002 nan 4.420 nan 0.000 0.269 57 P C 0.347 177.591 177.300 -0.093 0.000 1.215 57 P CA 0.153 63.218 63.100 -0.058 0.000 0.780 57 P CB 1.081 32.760 31.700 -0.035 0.000 0.898 58 G N -0.304 108.436 108.800 -0.101 0.000 3.324 58 G HA2 0.310 4.270 3.960 0.000 0.000 0.251 58 G HA3 0.310 4.270 3.960 0.000 0.000 0.251 58 G C -0.074 174.787 174.900 -0.066 0.000 1.072 58 G CA 0.071 45.105 45.100 -0.110 0.000 0.787 58 G HN 0.760 nan 8.290 nan 0.000 0.537 59 S N -2.599 113.073 115.700 -0.047 0.000 2.565 59 S HA 0.330 4.800 4.470 0.000 0.000 0.274 59 S C 0.670 175.253 174.600 -0.028 0.000 1.144 59 S CA 0.199 58.378 58.200 -0.035 0.000 0.849 59 S CB 1.084 64.267 63.200 -0.028 0.000 1.103 59 S HN -0.123 nan 8.310 nan 0.000 0.455 60 T N 1.338 115.875 114.554 -0.028 0.000 2.699 60 T HA -0.164 4.186 4.350 0.000 0.000 0.268 60 T C 1.538 176.228 174.700 -0.017 0.000 1.036 60 T CA 2.075 64.159 62.100 -0.027 0.000 1.147 60 T CB -0.625 68.225 68.868 -0.031 0.000 0.862 60 T HN 0.795 nan 8.240 nan 0.000 0.446 61 E N 0.789 120.980 120.200 -0.014 0.000 2.118 61 E HA -0.214 4.136 4.350 0.000 0.000 0.195 61 E C 2.091 178.693 176.600 0.003 0.000 0.992 61 E CA 1.313 57.709 56.400 -0.006 0.000 0.804 61 E CB -0.013 29.683 29.700 -0.006 0.000 0.741 61 E HN 0.608 nan 8.360 nan 0.000 0.458 62 E N -0.316 119.885 120.200 0.002 0.000 2.107 62 E HA -0.128 4.222 4.350 0.000 0.000 0.191 62 E C 2.191 178.804 176.600 0.021 0.000 0.982 62 E CA 1.028 57.437 56.400 0.014 0.000 0.809 62 E CB 0.187 29.892 29.700 0.008 0.000 0.756 62 E HN 0.140 nan 8.360 nan 0.000 0.459 63 V N 0.995 120.912 119.914 0.004 0.000 2.407 63 V HA -0.231 3.889 4.120 0.000 0.000 0.248 63 V C 2.300 178.405 176.094 0.018 0.000 1.055 63 V CA 1.249 63.551 62.300 0.004 0.000 1.049 63 V CB -0.326 31.489 31.823 -0.014 0.000 0.662 63 V HN 0.139 nan 8.190 nan 0.000 0.455 64 V N 0.204 120.126 119.914 0.013 0.000 2.343 64 V HA -0.246 3.874 4.120 0.000 0.000 0.247 64 V C 2.691 178.806 176.094 0.035 0.000 1.051 64 V CA 1.988 64.299 62.300 0.017 0.000 1.036 64 V CB -1.024 30.803 31.823 0.006 0.000 0.654 64 V HN 0.565 nan 8.190 nan 0.000 0.451 65 A N -0.040 122.803 122.820 0.039 0.000 1.877 65 A HA -0.184 4.136 4.320 0.000 0.000 0.216 65 A C 2.168 179.808 177.584 0.093 0.000 1.186 65 A CA 1.966 54.033 52.037 0.049 0.000 0.620 65 A CB -0.547 18.478 19.000 0.042 0.000 0.822 65 A HN 0.505 nan 8.150 nan 0.000 0.443 66 I N -0.573 120.076 120.570 0.131 0.000 2.163 66 I HA -0.345 3.825 4.170 0.000 0.000 0.243 66 I C 2.512 178.762 176.117 0.222 0.000 1.085 66 I CA 1.321 62.768 61.300 0.245 0.000 1.347 66 I CB -0.523 37.562 38.000 0.142 0.000 1.044 66 I HN 0.378 nan 8.210 nan 0.000 0.408 67 C N 0.703 120.073 119.300 0.117 0.000 2.425 67 C HA -0.133 4.327 4.460 0.000 0.000 0.277 67 C C 2.751 177.801 174.990 0.101 0.000 1.280 67 C CA 0.744 59.820 59.018 0.097 0.000 1.744 67 C CB -0.952 26.822 27.740 0.056 0.000 1.989 67 C HN 0.421 nan 8.230 nan 0.000 0.491 68 K N 0.224 120.673 120.400 0.081 0.000 2.057 68 K HA -0.143 4.177 4.320 0.000 0.000 0.207 68 K C 1.895 178.531 176.600 0.060 0.000 1.049 68 K CA 1.059 57.383 56.287 0.062 0.000 0.931 68 K CB -0.344 32.178 32.500 0.037 0.000 0.714 68 K HN 0.300 nan 8.250 nan 0.000 0.440 69 L N 1.051 122.311 121.223 0.061 0.000 2.005 69 L HA -0.067 4.273 4.340 0.000 0.000 0.207 69 L C 2.205 179.117 176.870 0.071 0.000 1.072 69 L CA 1.805 56.639 54.840 -0.009 0.000 0.744 69 L CB -0.826 41.129 42.059 -0.173 0.000 0.895 69 L HN 0.114 nan 8.230 nan 0.000 0.433 70 A N -0.561 122.404 122.820 0.242 0.000 1.940 70 A HA -0.293 4.027 4.320 0.000 0.000 0.219 70 A C 2.192 179.867 177.584 0.151 0.000 1.176 70 A CA 2.095 54.298 52.037 0.277 0.000 0.631 70 A CB -0.984 18.170 19.000 0.257 0.000 0.814 70 A HN 0.622 nan 8.150 nan 0.000 0.446 71 N N -0.457 118.324 118.700 0.134 0.000 2.171 71 N HA -0.148 4.592 4.740 0.000 0.000 0.184 71 N C 1.778 177.345 175.510 0.095 0.000 1.021 71 N CA 1.631 54.776 53.050 0.159 0.000 0.854 71 N CB -0.254 38.340 38.487 0.180 0.000 0.994 71 N HN 0.662 nan 8.380 nan 0.000 0.426 72 E N -0.548 119.682 120.200 0.051 0.000 2.072 72 E HA -0.089 4.261 4.350 0.000 0.000 0.191 72 E C 1.218 177.795 176.600 -0.039 0.000 0.985 72 E CA 1.128 57.524 56.400 -0.007 0.000 0.801 72 E CB -0.160 29.535 29.700 -0.007 0.000 0.750 72 E HN 0.409 nan 8.360 nan 0.000 0.452 73 A N 0.470 123.283 122.820 -0.012 0.000 2.251 73 A HA 0.087 4.407 4.320 0.000 0.000 0.209 73 A C 0.263 177.850 177.584 0.004 0.000 1.187 73 A CA -0.007 52.023 52.037 -0.012 0.000 0.823 73 A CB 0.071 19.066 19.000 -0.010 0.000 0.846 73 A HN 0.199 nan 8.150 nan 0.000 0.486 74 R N -1.420 119.084 120.500 0.006 0.000 3.336 74 R HA -0.126 4.214 4.340 0.000 0.000 0.260 74 R C -0.803 175.529 176.300 0.053 0.000 1.032 74 R CA 0.731 56.840 56.100 0.015 0.000 0.693 74 R CB -3.058 27.226 30.300 -0.026 0.000 1.134 74 R HN 0.275 nan 8.270 nan 0.000 0.433 75 V N 0.752 120.721 119.914 0.093 0.000 2.370 75 V HA 0.595 4.715 4.120 0.000 0.000 0.279 75 V C 1.050 177.187 176.094 0.071 0.000 1.029 75 V CA -0.478 61.885 62.300 0.105 0.000 0.870 75 V CB 1.811 33.758 31.823 0.207 0.000 0.984 75 V HN 0.464 nan 8.190 nan 0.000 0.451 76 A N 6.670 129.512 122.820 0.036 0.000 2.440 76 A HA 0.692 5.012 4.320 0.000 0.000 0.251 76 A C -0.414 177.154 177.584 -0.026 0.000 1.089 76 A CA -0.128 51.917 52.037 0.014 0.000 0.779 76 A CB 0.131 19.136 19.000 0.008 0.000 1.022 76 A HN 0.803 nan 8.150 nan 0.000 0.492 77 L N 2.253 123.459 121.223 -0.028 0.000 2.342 77 L HA 0.587 4.927 4.340 0.000 0.000 0.271 77 L C -0.839 176.000 176.870 -0.051 0.000 1.008 77 L CA -0.930 53.871 54.840 -0.065 0.000 0.818 77 L CB 2.064 44.090 42.059 -0.056 0.000 1.296 77 L HN 0.382 nan 8.230 nan 0.000 0.427 78 V N 2.966 122.837 119.914 -0.071 0.000 2.357 78 V HA 0.307 4.427 4.120 0.000 0.000 0.281 78 V C -2.299 173.767 176.094 -0.048 0.000 1.015 78 V CA -1.615 60.652 62.300 -0.055 0.000 0.827 78 V CB 1.590 33.369 31.823 -0.074 0.000 1.018 78 V HN 0.566 nan 8.190 nan 0.000 0.432 79 P HA 0.295 nan 4.420 nan 0.000 0.271 79 P C -0.840 176.458 177.300 -0.003 0.000 1.216 79 P CA -0.045 63.045 63.100 -0.016 0.000 0.776 79 P CB 0.607 32.308 31.700 0.000 0.000 0.881 80 Q N 1.423 121.227 119.800 0.008 0.000 2.340 80 Q HA 0.584 4.924 4.340 0.000 0.000 0.276 80 Q C -0.528 175.499 176.000 0.045 0.000 1.048 80 Q CA -0.715 55.108 55.803 0.033 0.000 0.832 80 Q CB 1.637 30.410 28.738 0.058 0.000 1.373 80 Q HN 0.503 nan 8.270 nan 0.000 0.409 81 G N 1.090 109.916 108.800 0.045 0.000 2.930 81 G HA2 0.279 4.239 3.960 0.000 0.000 0.209 81 G HA3 0.279 4.239 3.960 0.000 0.000 0.209 81 G C 0.580 175.506 174.900 0.044 0.000 2.018 81 G CA 0.280 45.405 45.100 0.042 0.000 0.751 81 G HN 0.711 nan 8.290 nan 0.000 0.770 82 G N -0.296 108.523 108.800 0.032 0.000 2.813 82 G HA2 0.102 4.062 3.960 0.000 0.000 0.209 82 G HA3 0.102 4.062 3.960 0.000 0.000 0.209 82 G C 0.803 175.706 174.900 0.005 0.000 1.150 82 G CA 0.873 45.984 45.100 0.018 0.000 0.785 82 G HN 0.696 nan 8.290 nan 0.000 0.535 83 N N -0.034 118.675 118.700 0.015 0.000 2.754 83 N HA -0.188 4.552 4.740 0.000 0.000 0.248 83 N C 1.215 176.728 175.510 0.005 0.000 1.093 83 N CA 1.398 54.451 53.050 0.005 0.000 0.699 83 N CB -1.446 37.026 38.487 -0.026 0.000 1.016 83 N HN 0.449 nan 8.380 nan 0.000 0.552 84 T N -4.052 110.514 114.554 0.019 0.000 3.054 84 T HA 0.378 4.728 4.350 0.000 0.000 0.255 84 T C 1.080 175.794 174.700 0.024 0.000 1.035 84 T CA 0.206 62.320 62.100 0.023 0.000 0.941 84 T CB 0.215 69.103 68.868 0.034 0.000 1.026 84 T HN 0.446 nan 8.240 nan 0.000 0.533 85 G N 1.311 110.129 108.800 0.029 0.000 2.414 85 G HA2 0.417 4.377 3.960 0.000 0.000 0.236 85 G HA3 0.417 4.377 3.960 0.000 0.000 0.236 85 G C 0.288 175.198 174.900 0.016 0.000 1.293 85 G CA -0.455 44.664 45.100 0.032 0.000 0.869 85 G HN 0.525 nan 8.290 nan 0.000 0.556 86 L N 1.858 123.073 121.223 -0.013 0.000 2.910 86 L HA 0.178 4.518 4.340 0.000 0.000 0.252 86 L C 1.233 178.146 176.870 0.072 0.000 1.195 86 L CA -0.194 54.625 54.840 -0.035 0.000 1.003 86 L CB 0.510 42.395 42.059 -0.290 0.000 1.328 86 L HN 0.520 nan 8.230 nan 0.000 0.540 87 V N -4.920 115.048 119.914 0.090 0.000 3.199 87 V HA 0.545 4.665 4.120 0.000 0.000 0.331 87 V C 1.081 177.165 176.094 -0.016 0.000 1.446 87 V CA 0.178 62.543 62.300 0.108 0.000 1.120 87 V CB 0.196 32.084 31.823 0.109 0.000 1.051 87 V HN 0.312 nan 8.190 nan 0.000 0.495 88 G N 0.481 109.249 108.800 -0.054 0.000 2.160 88 G HA2 -0.235 3.725 3.960 0.000 0.000 0.251 88 G HA3 -0.235 3.725 3.960 0.000 0.000 0.251 88 G C 0.992 175.847 174.900 -0.075 0.000 1.008 88 G CA 0.492 45.454 45.100 -0.231 0.000 0.724 88 G HN 1.275 nan 8.290 nan 0.000 0.514 89 G N 0.083 108.863 108.800 -0.032 0.000 2.403 89 G HA2 0.044 4.004 3.960 0.000 0.000 0.216 89 G HA3 0.044 4.004 3.960 0.000 0.000 0.216 89 G C 1.533 176.424 174.900 -0.015 0.000 1.154 89 G CA 1.549 46.644 45.100 -0.008 0.000 0.784 89 G HN 0.908 nan 8.290 nan 0.000 0.538 90 Q N 0.756 120.540 119.800 -0.026 0.000 2.280 90 Q HA 0.094 4.434 4.340 0.000 0.000 0.201 90 Q C -0.211 175.739 176.000 -0.083 0.000 0.890 90 Q CA 0.192 55.976 55.803 -0.032 0.000 0.947 90 Q CB -0.485 28.252 28.738 -0.002 0.000 1.081 90 Q HN 0.191 nan 8.270 nan 0.000 0.502 91 T N 5.000 119.453 114.554 -0.169 0.000 2.799 91 T HA 0.392 4.742 4.350 0.000 0.000 0.286 91 T C -2.694 171.699 174.700 -0.512 0.000 0.973 91 T CA -1.386 60.512 62.100 -0.336 0.000 1.035 91 T CB 1.607 70.200 68.868 -0.459 0.000 0.932 91 T HN 0.160 nan 8.240 nan 0.000 0.469 92 P HA 0.279 nan 4.420 nan 0.000 0.291 92 P C 0.056 177.082 177.300 -0.457 0.000 1.340 92 P CA -0.446 62.452 63.100 -0.336 0.000 0.799 92 P CB 0.472 32.040 31.700 -0.220 0.000 0.917 93 H N 1.880 120.828 119.070 -0.203 0.000 2.551 93 H HA 0.202 4.758 4.556 0.000 0.000 0.271 93 H C 0.600 175.730 175.328 -0.331 0.000 0.984 93 H CA 0.222 56.148 56.048 -0.204 0.000 1.164 93 H CB 0.644 30.351 29.762 -0.091 0.000 1.437 93 H HN 0.505 nan 8.280 nan 0.000 0.550 94 N N -0.197 118.331 118.700 -0.285 0.000 2.390 94 N HA 0.091 4.831 4.740 0.000 0.000 0.259 94 N C 0.214 175.652 175.510 -0.121 0.000 1.395 94 N CA 0.485 53.441 53.050 -0.157 0.000 0.852 94 N CB 1.003 39.494 38.487 0.006 0.000 1.371 94 N HN 0.376 nan 8.380 nan 0.000 0.491 95 G N 1.539 110.167 108.800 -0.286 0.000 2.137 95 G HA2 -0.240 3.720 3.960 0.000 0.000 0.237 95 G HA3 -0.240 3.720 3.960 0.000 0.000 0.237 95 G C -0.164 174.706 174.900 -0.051 0.000 1.002 95 G CA 0.095 45.169 45.100 -0.043 0.000 0.702 95 G HN 0.416 nan 8.290 nan 0.000 0.515 96 E N -0.877 119.263 120.200 -0.100 0.000 2.392 96 E HA 0.531 4.881 4.350 0.000 0.000 0.256 96 E C 0.666 177.202 176.600 -0.106 0.000 1.145 96 E CA -0.347 56.003 56.400 -0.084 0.000 0.929 96 E CB 1.096 30.743 29.700 -0.088 0.000 0.998 96 E HN 0.212 nan 8.360 nan 0.000 0.442 97 V N 1.853 121.686 119.914 -0.135 0.000 2.439 97 V HA 0.186 4.306 4.120 0.000 0.000 0.282 97 V C -0.274 175.702 176.094 -0.195 0.000 1.039 97 V CA -0.769 61.410 62.300 -0.203 0.000 0.913 97 V CB 1.505 33.115 31.823 -0.354 0.000 0.983 97 V HN 0.365 nan 8.190 nan 0.000 0.460 98 V N 5.976 125.773 119.914 -0.194 0.000 2.498 98 V HA 0.351 4.471 4.120 0.000 0.000 0.279 98 V C 0.027 176.003 176.094 -0.196 0.000 1.048 98 V CA -0.395 61.803 62.300 -0.170 0.000 0.967 98 V CB 1.422 33.148 31.823 -0.161 0.000 0.988 98 V HN 0.554 nan 8.190 nan 0.000 0.473 99 I N 4.219 124.704 120.570 -0.142 0.000 2.388 99 I HA 0.269 4.439 4.170 0.000 0.000 0.281 99 I C 0.423 176.494 176.117 -0.077 0.000 1.046 99 I CA 0.283 61.508 61.300 -0.124 0.000 1.187 99 I CB 1.028 38.968 38.000 -0.099 0.000 1.351 99 I HN 0.619 nan 8.210 nan 0.000 0.472 100 S N 5.891 121.540 115.700 -0.085 0.000 2.537 100 S HA 0.513 4.983 4.470 0.000 0.000 0.275 100 S C 0.654 175.247 174.600 -0.011 0.000 1.272 100 S CA -0.380 57.813 58.200 -0.012 0.000 1.050 100 S CB 0.832 64.049 63.200 0.028 0.000 0.961 100 S HN 0.520 nan 8.310 nan 0.000 0.496 101 L N 5.020 126.248 121.223 0.009 0.000 2.700 101 L HA 0.330 4.670 4.340 0.000 0.000 0.234 101 L C 1.891 178.763 176.870 0.002 0.000 1.156 101 L CA -0.044 54.793 54.840 -0.005 0.000 0.946 101 L CB -0.037 42.017 42.059 -0.007 0.000 1.216 101 L HN 0.656 nan 8.230 nan 0.000 0.493 102 K N 0.297 120.714 120.400 0.028 0.000 2.211 102 K HA -0.080 4.241 4.320 0.000 0.000 0.204 102 K C 0.950 177.552 176.600 0.004 0.000 1.047 102 K CA 0.938 57.243 56.287 0.030 0.000 0.935 102 K CB 0.020 32.562 32.500 0.070 0.000 0.728 102 K HN 0.347 nan 8.250 nan 0.000 0.452 106 K N 1.208 121.585 120.400 -0.037 0.000 2.368 106 K HA 0.351 4.671 4.320 0.000 0.000 0.282 106 K C 0.185 176.758 176.600 -0.044 0.000 1.035 106 K CA -0.453 55.812 56.287 -0.037 0.000 0.973 106 K CB 0.101 32.581 32.500 -0.034 0.000 0.957 106 K HN 0.239 nan 8.250 nan 0.000 0.474 107 I N 6.254 126.796 120.570 -0.045 0.000 2.337 107 I HA 0.255 4.425 4.170 0.000 0.000 0.291 107 I C 1.582 177.672 176.117 -0.045 0.000 1.046 107 I CA 0.257 61.524 61.300 -0.055 0.000 1.324 107 I CB 0.958 38.925 38.000 -0.056 0.000 1.409 107 I HN 0.763 nan 8.210 nan 0.000 0.494 108 R N 3.595 124.066 120.500 -0.047 0.000 2.090 108 R HA 0.126 4.466 4.340 0.000 0.000 0.219 108 R C 0.381 176.661 176.300 -0.034 0.000 1.100 108 R CA 0.612 56.689 56.100 -0.038 0.000 0.991 108 R CB 0.511 30.789 30.300 -0.037 0.000 0.893 108 R HN 0.638 nan 8.270 nan 0.000 0.443 109 E N 0.338 120.516 120.200 -0.038 0.000 2.354 109 E HA 0.250 4.600 4.350 0.000 0.000 0.283 109 E C -1.591 174.988 176.600 -0.035 0.000 0.938 109 E CA -0.382 55.999 56.400 -0.032 0.000 0.777 109 E CB 1.665 31.349 29.700 -0.028 0.000 1.222 109 E HN -0.001 nan 8.360 nan 0.000 0.423 110 I N 3.463 124.017 120.570 -0.028 0.000 2.390 110 I HA 0.243 4.413 4.170 0.000 0.000 0.283 110 I C -0.735 175.371 176.117 -0.018 0.000 1.016 110 I CA -0.724 60.561 61.300 -0.026 0.000 1.151 110 I CB 1.413 39.399 38.000 -0.022 0.000 1.293 110 I HN 0.373 nan 8.210 nan 0.000 0.458 111 D N 5.085 125.474 120.400 -0.018 0.000 2.443 111 D HA 0.114 4.754 4.640 0.000 0.000 0.221 111 D C 1.266 177.558 176.300 -0.014 0.000 1.097 111 D CA -0.298 53.693 54.000 -0.016 0.000 0.865 111 D CB 1.387 42.176 40.800 -0.018 0.000 1.034 111 D HN 0.642 nan 8.370 nan 0.000 0.511 112 T N -0.067 114.481 114.554 -0.009 0.000 3.035 112 T HA -0.046 4.304 4.350 0.000 0.000 0.268 112 T C 1.619 176.314 174.700 -0.009 0.000 1.109 112 T CA 0.551 62.648 62.100 -0.006 0.000 1.119 112 T CB 0.181 69.049 68.868 0.000 0.000 0.900 112 T HN 0.117 nan 8.240 nan 0.000 0.503 113 S N 1.256 116.949 115.700 -0.011 0.000 2.404 113 S HA 0.083 4.553 4.470 0.000 0.000 0.223 113 S C 2.284 176.872 174.600 -0.020 0.000 1.040 113 S CA 0.674 58.867 58.200 -0.013 0.000 0.957 113 S CB -0.178 63.015 63.200 -0.010 0.000 0.826 113 S HN 0.559 nan 8.310 nan 0.000 0.491 114 S N 1.604 117.291 115.700 -0.022 0.000 2.496 114 S HA 0.131 4.601 4.470 0.000 0.000 0.224 114 S C 0.210 174.785 174.600 -0.043 0.000 0.996 114 S CA -0.027 58.156 58.200 -0.029 0.000 0.927 114 S CB -0.143 63.042 63.200 -0.024 0.000 0.774 114 S HN 0.469 nan 8.310 nan 0.000 0.524 115 N N 2.347 121.024 118.700 -0.039 0.000 2.699 115 N HA -0.116 4.624 4.740 0.000 0.000 0.257 115 N C -0.490 174.990 175.510 -0.051 0.000 1.077 115 N CA 1.264 54.283 53.050 -0.051 0.000 0.702 115 N CB -1.441 36.993 38.487 -0.089 0.000 0.886 115 N HN 0.668 nan 8.380 nan 0.000 0.549 116 T N -2.189 112.349 114.554 -0.027 0.000 2.883 116 T HA 0.817 5.167 4.350 0.000 0.000 0.296 116 T C -0.149 174.539 174.700 -0.020 0.000 1.117 116 T CA -0.889 61.201 62.100 -0.018 0.000 1.006 116 T CB 3.114 71.970 68.868 -0.021 0.000 1.191 116 T HN 0.233 nan 8.240 nan 0.000 0.508 117 I N 1.082 121.633 120.570 -0.032 0.000 2.610 117 I HA 0.482 4.652 4.170 0.000 0.000 0.289 117 I C -1.320 174.751 176.117 -0.075 0.000 1.163 117 I CA -0.459 60.803 61.300 -0.063 0.000 1.044 117 I CB 2.121 40.059 38.000 -0.104 0.000 1.251 117 I HN 0.838 nan 8.210 nan 0.000 0.424 118 T N 7.174 121.689 114.554 -0.065 0.000 2.756 118 T HA 0.574 4.924 4.350 0.000 0.000 0.290 118 T C -0.373 174.284 174.700 -0.072 0.000 0.985 118 T CA -0.435 61.629 62.100 -0.060 0.000 0.955 118 T CB 1.141 69.984 68.868 -0.042 0.000 0.930 118 T HN 0.467 nan 8.240 nan 0.000 0.451 119 V N 0.915 120.781 119.914 -0.081 0.000 3.102 119 V HA 0.696 4.816 4.120 0.000 0.000 0.312 119 V C -0.455 175.601 176.094 -0.064 0.000 1.135 119 V CA -1.305 60.945 62.300 -0.082 0.000 1.022 119 V CB 2.008 33.760 31.823 -0.118 0.000 1.056 119 V HN 0.743 nan 8.190 nan 0.000 0.436 120 E N 0.952 121.118 120.200 -0.056 0.000 2.318 120 E HA 0.566 4.916 4.350 0.000 0.000 0.265 120 E C 1.168 177.743 176.600 -0.041 0.000 1.069 120 E CA -0.125 56.248 56.400 -0.046 0.000 0.893 120 E CB 1.833 31.508 29.700 -0.042 0.000 1.076 120 E HN 0.941 nan 8.360 nan 0.000 0.414 121 A N 1.999 124.799 122.820 -0.033 0.000 1.978 121 A HA -0.128 4.192 4.320 0.000 0.000 0.220 121 A C 1.884 179.460 177.584 -0.014 0.000 1.170 121 A CA 1.820 53.845 52.037 -0.021 0.000 0.636 121 A CB -0.660 18.330 19.000 -0.017 0.000 0.810 121 A HN 0.710 nan 8.150 nan 0.000 0.448 122 G N -1.025 107.765 108.800 -0.017 0.000 2.985 122 G HA2 0.383 4.343 3.960 0.000 0.000 0.209 122 G HA3 0.383 4.343 3.960 0.000 0.000 0.209 122 G C 0.608 175.500 174.900 -0.013 0.000 1.165 122 G CA 0.481 45.575 45.100 -0.009 0.000 0.776 122 G HN 0.780 nan 8.290 nan 0.000 0.541 123 A N 1.371 124.176 122.820 -0.026 0.000 2.524 123 A HA 0.429 4.749 4.320 0.000 0.000 0.250 123 A C 0.492 178.062 177.584 -0.023 0.000 1.078 123 A CA -0.282 51.734 52.037 -0.034 0.000 0.761 123 A CB 0.135 19.099 19.000 -0.060 0.000 1.012 123 A HN 0.156 nan 8.150 nan 0.000 0.500 124 I N 3.965 124.526 120.570 -0.014 0.000 2.618 124 I HA -0.091 4.079 4.170 0.000 0.000 0.284 124 I C 1.612 177.729 176.117 0.000 0.000 1.146 124 I CA -0.045 61.255 61.300 0.000 0.000 1.425 124 I CB 0.102 38.103 38.000 0.003 0.000 1.383 124 I HN 0.819 nan 8.210 nan 0.000 0.562 125 L N 6.342 127.580 121.223 0.025 0.000 2.013 125 L HA -0.260 4.080 4.340 0.000 0.000 0.212 125 L C 2.402 179.304 176.870 0.052 0.000 1.073 125 L CA 2.013 56.887 54.840 0.056 0.000 0.753 125 L CB -0.820 41.297 42.059 0.096 0.000 0.890 125 L HN 0.810 nan 8.230 nan 0.000 0.432 126 Q N -0.789 119.033 119.800 0.037 0.000 2.135 126 Q HA -0.287 4.053 4.340 0.000 0.000 0.204 126 Q C 2.458 178.467 176.000 0.015 0.000 0.981 126 Q CA 1.989 57.809 55.803 0.027 0.000 0.856 126 Q CB -0.159 28.590 28.738 0.018 0.000 0.902 126 Q HN 0.550 nan 8.270 nan 0.000 0.425 127 R N -0.759 119.743 120.500 0.002 0.000 2.115 127 R HA -0.070 4.270 4.340 0.000 0.000 0.226 127 R C 2.053 178.338 176.300 -0.026 0.000 1.100 127 R CA 1.048 57.142 56.100 -0.011 0.000 0.980 127 R CB 0.064 30.355 30.300 -0.016 0.000 0.875 127 R HN 0.159 nan 8.270 nan 0.000 0.445 128 V N 1.220 121.106 119.914 -0.047 0.000 2.343 128 V HA -0.259 3.861 4.120 0.000 0.000 0.247 128 V C 2.233 178.304 176.094 -0.038 0.000 1.051 128 V CA 1.846 64.082 62.300 -0.107 0.000 1.036 128 V CB -0.518 31.147 31.823 -0.262 0.000 0.654 128 V HN 0.437 nan 8.190 nan 0.000 0.451 129 Q N -0.178 119.650 119.800 0.046 0.000 2.077 129 Q HA -0.290 4.050 4.340 0.000 0.000 0.206 129 Q C 2.295 178.320 176.000 0.043 0.000 0.989 129 Q CA 2.242 58.102 55.803 0.095 0.000 0.853 129 Q CB -0.238 28.549 28.738 0.081 0.000 0.907 129 Q HN 0.707 nan 8.270 nan 0.000 0.418 130 E N 0.321 120.532 120.200 0.019 0.000 2.051 130 E HA -0.160 4.190 4.350 0.000 0.000 0.192 130 E C 2.035 178.638 176.600 0.005 0.000 0.991 130 E CA 0.730 57.135 56.400 0.009 0.000 0.799 130 E CB 0.085 29.787 29.700 0.003 0.000 0.748 130 E HN 0.113 nan 8.360 nan 0.000 0.449 131 K N 0.469 120.865 120.400 -0.006 0.000 2.103 131 K HA -0.116 4.204 4.320 0.000 0.000 0.207 131 K C 2.107 178.707 176.600 -0.001 0.000 1.048 131 K CA 1.074 57.354 56.287 -0.012 0.000 0.930 131 K CB -0.331 32.151 32.500 -0.031 0.000 0.716 131 K HN 0.102 nan 8.250 nan 0.000 0.444 132 A N 1.441 124.268 122.820 0.012 0.000 1.877 132 A HA -0.132 4.189 4.320 0.000 0.000 0.216 132 A C 2.429 180.035 177.584 0.035 0.000 1.186 132 A CA 2.234 54.294 52.037 0.039 0.000 0.620 132 A CB -0.697 18.360 19.000 0.094 0.000 0.822 132 A HN 0.314 nan 8.150 nan 0.000 0.443 133 A N -0.217 122.621 122.820 0.030 0.000 1.940 133 A HA -0.206 4.114 4.320 0.000 0.000 0.219 133 A C 1.868 179.462 177.584 0.016 0.000 1.176 133 A CA 1.733 53.783 52.037 0.022 0.000 0.631 133 A CB -0.601 18.408 19.000 0.015 0.000 0.814 133 A HN 0.664 nan 8.150 nan 0.000 0.446 134 E N -0.413 119.794 120.200 0.012 0.000 2.204 134 E HA -0.102 4.248 4.350 0.000 0.000 0.195 134 E C 1.249 177.854 176.600 0.009 0.000 0.990 134 E CA 1.351 57.755 56.400 0.008 0.000 0.821 134 E CB -0.189 29.512 29.700 0.003 0.000 0.750 134 E HN 0.652 nan 8.360 nan 0.000 0.477 135 V N -1.731 118.190 119.914 0.012 0.000 3.099 135 V HA 0.185 4.305 4.120 0.000 0.000 0.356 135 V C -0.125 175.980 176.094 0.018 0.000 1.364 135 V CA -0.005 62.302 62.300 0.012 0.000 1.229 135 V CB -0.134 31.693 31.823 0.008 0.000 1.227 135 V HN 0.062 nan 8.190 nan 0.000 0.493 136 D N 1.051 121.464 120.400 0.021 0.000 2.746 136 D HA -0.170 4.470 4.640 0.000 0.000 0.236 136 D C 0.199 176.521 176.300 0.037 0.000 1.129 136 D CA 0.875 54.890 54.000 0.026 0.000 0.691 136 D CB -0.359 40.455 40.800 0.022 0.000 1.077 136 D HN 0.622 nan 8.370 nan 0.000 0.432 137 R N -0.568 119.959 120.500 0.044 0.000 2.869 137 R HA 0.813 5.153 4.340 0.000 0.000 0.263 137 R C -0.796 175.549 176.300 0.074 0.000 1.066 137 R CA -1.013 55.127 56.100 0.066 0.000 0.960 137 R CB 0.805 31.146 30.300 0.069 0.000 1.221 137 R HN 0.150 nan 8.270 nan 0.000 0.474 138 L N 0.648 121.934 121.223 0.105 0.000 2.386 138 L HA 0.545 4.885 4.340 0.000 0.000 0.271 138 L C -1.482 175.470 176.870 0.137 0.000 0.993 138 L CA -0.561 54.316 54.840 0.062 0.000 0.819 138 L CB 1.613 43.650 42.059 -0.037 0.000 1.294 138 L HN 0.491 nan 8.230 nan 0.000 0.414 139 F N 7.779 127.690 119.950 -0.065 0.000 2.325 139 F HA 0.594 5.121 4.527 0.000 0.000 0.369 139 F C -1.734 173.926 175.800 -0.232 0.000 1.095 139 F CA -2.274 55.684 58.000 -0.071 0.000 1.082 139 F CB 1.162 40.146 39.000 -0.027 0.000 1.289 139 F HN 0.495 nan 8.300 nan 0.000 0.462 140 P HA -0.096 nan 4.420 nan 0.000 0.229 140 P C 0.492 177.343 177.300 -0.748 0.000 1.160 140 P CA 0.415 62.894 63.100 -1.035 0.000 0.777 140 P CB 0.270 30.794 31.700 -1.961 0.000 0.814 141 L N 0.795 121.486 121.223 -0.887 0.000 2.615 141 L HA 0.178 4.518 4.340 0.000 0.000 0.271 141 L C 0.045 176.780 176.870 -0.225 0.000 1.183 141 L CA 0.580 55.141 54.840 -0.465 0.000 0.933 141 L CB -0.537 41.298 42.059 -0.373 0.000 1.199 141 L HN -0.128 nan 8.230 nan 0.000 0.487 142 S N 5.749 121.357 115.700 -0.153 0.000 2.677 142 S HA 0.805 5.275 4.470 0.000 0.000 0.283 142 S C -0.898 173.672 174.600 -0.051 0.000 1.159 142 S CA -0.712 57.431 58.200 -0.095 0.000 1.001 142 S CB 0.578 63.693 63.200 -0.141 0.000 1.032 142 S HN 0.671 nan 8.310 nan 0.000 0.487 143 L N 2.636 123.858 121.223 -0.001 0.000 2.389 143 L HA 0.928 5.268 4.340 0.000 0.000 0.249 143 L C 1.222 178.131 176.870 0.065 0.000 1.083 143 L CA -0.633 54.235 54.840 0.047 0.000 0.876 143 L CB 0.096 42.202 42.059 0.078 0.000 1.489 143 L HN 0.551 nan 8.230 nan 0.000 0.412 144 G N -0.698 108.168 108.800 0.110 0.000 2.422 144 G HA2 0.078 4.038 3.960 0.000 0.000 0.218 144 G HA3 0.078 4.038 3.960 0.000 0.000 0.218 144 G C 0.866 175.818 174.900 0.086 0.000 1.140 144 G CA 0.743 45.908 45.100 0.109 0.000 0.775 144 G HN 0.962 nan 8.290 nan 0.000 0.545 145 A N -0.173 122.699 122.820 0.087 0.000 2.462 145 A HA 0.389 4.709 4.320 0.000 0.000 0.261 145 A C 1.776 179.393 177.584 0.054 0.000 1.323 145 A CA 0.212 52.289 52.037 0.067 0.000 0.913 145 A CB -0.133 18.909 19.000 0.070 0.000 1.028 145 A HN 0.385 nan 8.150 nan 0.000 0.511 146 Q N -0.190 119.640 119.800 0.050 0.000 2.118 146 Q HA -0.242 4.098 4.340 0.000 0.000 0.211 146 Q C 2.057 178.077 176.000 0.034 0.000 0.998 146 Q CA 1.851 57.679 55.803 0.042 0.000 0.872 146 Q CB -0.332 28.424 28.738 0.029 0.000 0.925 146 Q HN 0.720 nan 8.270 nan 0.000 0.414 147 G N -1.014 107.803 108.800 0.028 0.000 2.470 147 G HA2 -0.197 3.764 3.960 0.000 0.000 0.220 147 G HA3 -0.197 3.764 3.960 0.000 0.000 0.220 147 G C 1.213 176.124 174.900 0.018 0.000 1.121 147 G CA 1.169 46.282 45.100 0.021 0.000 0.766 147 G HN 0.275 nan 8.290 nan 0.000 0.553 148 S N -1.150 114.563 115.700 0.022 0.000 2.741 148 S HA 0.046 4.516 4.470 0.000 0.000 0.245 148 S C 1.338 175.951 174.600 0.022 0.000 1.083 148 S CA 0.107 58.317 58.200 0.016 0.000 0.873 148 S CB -0.106 63.101 63.200 0.011 0.000 0.814 148 S HN 0.673 nan 8.310 nan 0.000 0.476 149 C N 4.202 123.522 119.300 0.034 0.000 2.676 149 C HA 0.648 5.108 4.460 0.000 0.000 0.416 149 C C 0.995 176.009 174.990 0.040 0.000 1.299 149 C CA -0.665 58.378 59.018 0.042 0.000 2.048 149 C CB -0.528 27.247 27.740 0.058 0.000 2.713 149 C HN 0.523 nan 8.230 nan 0.000 0.624 150 T N 1.108 115.685 114.554 0.039 0.000 2.950 150 T HA 0.485 4.835 4.350 0.000 0.000 0.288 150 T C 1.026 175.750 174.700 0.040 0.000 1.035 150 T CA -0.848 61.270 62.100 0.030 0.000 1.028 150 T CB 0.872 69.753 68.868 0.022 0.000 1.109 150 T HN 0.560 nan 8.240 nan 0.000 0.514 151 I N 1.257 121.841 120.570 0.024 0.000 2.252 151 I HA 0.004 4.174 4.170 0.000 0.000 0.245 151 I C 2.760 178.901 176.117 0.040 0.000 1.102 151 I CA 1.788 63.108 61.300 0.033 0.000 1.385 151 I CB -1.898 36.090 38.000 -0.019 0.000 1.064 151 I HN 0.978 nan 8.210 nan 0.000 0.414 152 G N 0.693 109.507 108.800 0.024 0.000 2.418 152 G HA2 -0.182 3.778 3.960 0.000 0.000 0.217 152 G HA3 -0.182 3.778 3.960 0.000 0.000 0.217 152 G C 1.739 176.665 174.900 0.042 0.000 1.158 152 G CA 0.881 45.997 45.100 0.026 0.000 0.771 152 G HN 0.474 nan 8.290 nan 0.000 0.545 153 G N 0.948 109.775 108.800 0.044 0.000 2.404 153 G HA2 -0.208 3.752 3.960 0.000 0.000 0.215 153 G HA3 -0.208 3.752 3.960 0.000 0.000 0.215 153 G C 1.748 176.688 174.900 0.067 0.000 1.174 153 G CA 0.985 46.117 45.100 0.053 0.000 0.780 153 G HN 0.376 nan 8.290 nan 0.000 0.537 154 N N 0.640 119.384 118.700 0.074 0.000 2.104 154 N HA -0.052 4.688 4.740 0.000 0.000 0.190 154 N C 2.270 177.833 175.510 0.089 0.000 1.024 154 N CA 0.767 53.871 53.050 0.089 0.000 0.853 154 N CB -0.401 38.152 38.487 0.110 0.000 1.008 154 N HN 0.298 nan 8.380 nan 0.000 0.424 155 L N 0.381 121.656 121.223 0.086 0.000 2.056 155 L HA -0.057 4.283 4.340 0.000 0.000 0.207 155 L C 2.219 179.139 176.870 0.084 0.000 1.078 155 L CA 0.792 55.685 54.840 0.088 0.000 0.749 155 L CB -0.348 41.761 42.059 0.083 0.000 0.901 155 L HN 0.069 nan 8.230 nan 0.000 0.433 156 S N -0.745 115.002 115.700 0.078 0.000 2.399 156 S HA -0.157 4.313 4.470 0.000 0.000 0.231 156 S C 1.929 176.571 174.600 0.070 0.000 1.022 156 S CA 1.845 60.092 58.200 0.078 0.000 0.983 156 S CB -0.306 62.935 63.200 0.068 0.000 0.803 156 S HN 0.646 nan 8.310 nan 0.000 0.480 157 T N -1.296 113.300 114.554 0.071 0.000 3.060 157 T HA 0.169 4.519 4.350 0.000 0.000 0.249 157 T C 0.553 175.294 174.700 0.067 0.000 1.079 157 T CA 0.369 62.513 62.100 0.072 0.000 1.013 157 T CB -0.417 68.504 68.868 0.088 0.000 0.975 157 T HN 0.243 nan 8.240 nan 0.000 0.518 158 N N 1.489 120.230 118.700 0.067 0.000 2.708 158 N HA -0.152 4.588 4.740 0.000 0.000 0.255 158 N C -0.037 175.507 175.510 0.057 0.000 1.046 158 N CA 0.531 53.617 53.050 0.059 0.000 0.715 158 N CB -1.564 36.950 38.487 0.045 0.000 0.895 158 N HN 0.927 nan 8.380 nan 0.000 0.545 159 A N 0.131 122.992 122.820 0.070 0.000 2.466 159 A HA 0.587 4.907 4.320 0.000 0.000 0.238 159 A C 1.101 178.714 177.584 0.048 0.000 1.074 159 A CA 0.685 52.766 52.037 0.073 0.000 0.774 159 A CB 0.415 19.468 19.000 0.088 0.000 1.015 159 A HN 0.940 nan 8.150 nan 0.000 0.498 160 G N -0.582 108.245 108.800 0.044 0.000 2.706 160 G HA2 0.660 4.620 3.960 0.000 0.000 0.297 160 G HA3 0.660 4.620 3.960 0.000 0.000 0.297 160 G C -0.297 174.609 174.900 0.010 0.000 1.403 160 G CA 0.125 45.233 45.100 0.013 0.000 0.954 160 G HN 1.317 nan 8.290 nan 0.000 0.500 161 G N -0.848 107.917 108.800 -0.059 0.000 3.262 161 G HA2 0.491 4.451 3.960 0.000 0.000 0.229 161 G HA3 0.491 4.451 3.960 0.000 0.000 0.229 161 G C 0.931 175.613 174.900 -0.363 0.000 1.280 161 G CA 0.550 45.578 45.100 -0.120 0.000 0.951 161 G HN 0.547 nan 8.290 nan 0.000 0.589 162 T N 0.982 115.332 114.554 -0.340 0.000 2.759 162 T HA -0.041 4.309 4.350 0.000 0.000 0.269 162 T C 2.213 176.815 174.700 -0.163 0.000 1.042 162 T CA 1.859 63.752 62.100 -0.344 0.000 1.140 162 T CB -0.246 68.599 68.868 -0.038 0.000 0.864 162 T HN 0.637 nan 8.240 nan 0.000 0.455 163 A N 0.542 123.304 122.820 -0.096 0.000 2.302 163 A HA 0.665 4.985 4.320 0.000 0.000 0.219 163 A C 2.290 179.853 177.584 -0.035 0.000 1.243 163 A CA 0.753 52.781 52.037 -0.015 0.000 0.856 163 A CB -0.602 18.475 19.000 0.129 0.000 0.893 163 A HN 0.421 nan 8.150 nan 0.000 0.491 164 A N 0.882 123.654 122.820 -0.079 0.000 1.948 164 A HA -0.165 4.155 4.320 0.000 0.000 0.220 164 A C 2.079 179.626 177.584 -0.062 0.000 1.177 164 A CA 1.621 53.622 52.037 -0.059 0.000 0.636 164 A CB -0.794 18.170 19.000 -0.060 0.000 0.815 164 A HN 1.127 nan 8.150 nan 0.000 0.449 165 L N -3.541 117.643 121.223 -0.065 0.000 2.265 165 L HA 0.024 4.364 4.340 0.000 0.000 0.215 165 L C 2.180 178.971 176.870 -0.132 0.000 1.117 165 L CA 1.612 56.409 54.840 -0.072 0.000 0.782 165 L CB -0.497 41.536 42.059 -0.043 0.000 0.914 165 L HN 0.254 nan 8.230 nan 0.000 0.441 166 A N -0.861 121.821 122.820 -0.231 0.000 1.944 166 A HA 0.119 4.439 4.320 0.000 0.000 0.207 166 A C 1.576 178.873 177.584 -0.478 0.000 1.265 166 A CA 0.408 52.181 52.037 -0.440 0.000 0.712 166 A CB -0.392 18.152 19.000 -0.760 0.000 0.915 166 A HN 0.466 nan 8.150 nan 0.000 0.470 167 Y N -0.438 119.763 120.300 -0.164 0.000 2.444 167 Y HA 0.430 4.980 4.550 0.000 0.000 0.249 167 Y C 1.578 177.385 175.900 -0.154 0.000 1.134 167 Y CA -0.057 57.894 58.100 -0.249 0.000 1.261 167 Y CB -0.001 38.179 38.460 -0.467 0.000 1.143 167 Y HN 0.538 nan 8.280 nan 0.000 0.523 168 G N 0.610 109.417 108.800 0.012 0.000 2.681 168 G HA2 -0.224 3.736 3.960 0.000 0.000 0.220 168 G HA3 -0.224 3.736 3.960 0.000 0.000 0.220 168 G C -0.616 174.282 174.900 -0.003 0.000 1.353 168 G CA -0.406 44.701 45.100 0.011 0.000 0.872 168 G HN 0.143 nan 8.290 nan 0.000 0.557 169 L N -0.253 120.974 121.223 0.008 0.000 2.492 169 L HA 0.682 5.022 4.340 0.000 0.000 0.263 169 L C 2.414 179.295 176.870 0.018 0.000 1.062 169 L CA -0.355 54.489 54.840 0.005 0.000 0.817 169 L CB 0.595 42.664 42.059 0.017 0.000 1.441 169 L HN 1.138 nan 8.230 nan 0.000 0.493 170 A N -0.022 122.819 122.820 0.035 0.000 1.948 170 A HA -0.216 4.104 4.320 0.000 0.000 0.220 170 A C 2.300 179.939 177.584 0.093 0.000 1.177 170 A CA 2.070 54.152 52.037 0.075 0.000 0.636 170 A CB -0.744 18.311 19.000 0.091 0.000 0.815 170 A HN 0.837 nan 8.150 nan 0.000 0.449 171 R N 0.087 120.632 120.500 0.074 0.000 2.091 171 R HA -0.126 4.214 4.340 0.000 0.000 0.238 171 R C 0.147 176.497 176.300 0.084 0.000 1.136 171 R CA 1.564 57.709 56.100 0.075 0.000 0.959 171 R CB -0.318 30.015 30.300 0.056 0.000 0.856 171 R HN 0.553 nan 8.270 nan 0.000 0.437 175 L N 1.197 122.459 121.223 0.066 0.000 2.642 175 L HA 0.538 4.878 4.340 0.000 0.000 0.233 175 L C 1.099 177.990 176.870 0.035 0.000 1.077 175 L CA 0.744 55.610 54.840 0.043 0.000 0.879 175 L CB 0.901 42.977 42.059 0.027 0.000 1.151 175 L HN 1.027 nan 8.230 nan 0.000 0.495 176 G N -0.085 108.735 108.800 0.034 0.000 2.547 176 G HA2 0.515 4.475 3.960 0.000 0.000 0.291 176 G HA3 0.515 4.475 3.960 0.000 0.000 0.291 176 G C -1.799 173.109 174.900 0.014 0.000 1.471 176 G CA -0.139 44.975 45.100 0.023 0.000 0.798 176 G HN -0.167 nan 8.290 nan 0.000 0.504 177 V N -2.372 117.541 119.914 -0.002 0.000 3.114 177 V HA 0.920 5.040 4.120 0.000 0.000 0.308 177 V C -0.892 175.158 176.094 -0.073 0.000 1.168 177 V CA -1.084 61.197 62.300 -0.031 0.000 1.015 177 V CB 1.969 33.776 31.823 -0.028 0.000 1.050 177 V HN 1.028 nan 8.190 nan 0.000 0.433 178 E N 1.221 121.365 120.200 -0.093 0.000 2.191 178 E HA 0.740 5.090 4.350 0.000 0.000 0.263 178 E C -1.835 174.665 176.600 -0.166 0.000 0.881 178 E CA -0.636 55.695 56.400 -0.115 0.000 0.757 178 E CB 2.216 31.869 29.700 -0.078 0.000 1.147 178 E HN 0.753 nan 8.360 nan 0.000 0.414 179 V N 4.159 123.929 119.914 -0.240 0.000 2.735 179 V HA 0.376 4.496 4.120 0.000 0.000 0.310 179 V C -0.541 175.429 176.094 -0.207 0.000 1.061 179 V CA -0.916 61.200 62.300 -0.307 0.000 0.913 179 V CB 2.032 33.427 31.823 -0.713 0.000 1.005 179 V HN 0.538 nan 8.190 nan 0.000 0.428 180 V N 5.565 125.397 119.914 -0.136 0.000 2.370 180 V HA 0.440 4.560 4.120 0.000 0.000 0.283 180 V C 0.167 176.234 176.094 -0.045 0.000 1.023 180 V CA -0.364 61.893 62.300 -0.073 0.000 0.857 180 V CB 1.269 33.067 31.823 -0.041 0.000 0.985 180 V HN 0.622 nan 8.190 nan 0.000 0.443 181 L N 3.339 124.551 121.223 -0.018 0.000 2.479 181 L HA 0.413 4.753 4.340 0.000 0.000 0.249 181 L C 1.969 178.859 176.870 0.035 0.000 1.178 181 L CA -0.088 54.771 54.840 0.031 0.000 0.811 181 L CB 0.335 42.425 42.059 0.051 0.000 1.187 181 L HN 0.692 nan 8.230 nan 0.000 0.480 182 A N 0.608 123.455 122.820 0.046 0.000 1.978 182 A HA -0.203 4.117 4.320 0.000 0.000 0.220 182 A C 1.540 179.154 177.584 0.050 0.000 1.170 182 A CA 1.859 53.924 52.037 0.046 0.000 0.636 182 A CB -0.698 18.326 19.000 0.040 0.000 0.810 182 A HN 0.932 nan 8.150 nan 0.000 0.448 183 D N -2.617 117.804 120.400 0.035 0.000 2.340 183 D HA 0.294 4.934 4.640 0.000 0.000 0.220 183 D C 1.144 177.466 176.300 0.037 0.000 1.039 183 D CA 0.965 54.988 54.000 0.039 0.000 0.866 183 D CB -0.431 40.380 40.800 0.019 0.000 0.913 183 D HN 0.778 nan 8.370 nan 0.000 0.523 184 G N 0.141 108.960 108.800 0.031 0.000 2.175 184 G HA2 -0.303 3.657 3.960 0.000 0.000 0.244 184 G HA3 -0.303 3.657 3.960 0.000 0.000 0.244 184 G C 0.286 175.192 174.900 0.010 0.000 0.982 184 G CA -0.180 44.934 45.100 0.023 0.000 0.641 184 G HN 0.437 nan 8.290 nan 0.000 0.527 185 R N 0.102 120.607 120.500 0.008 0.000 2.590 185 R HA 0.479 4.819 4.340 0.000 0.000 0.274 185 R C 0.615 176.905 176.300 -0.017 0.000 1.061 185 R CA 0.037 56.137 56.100 0.000 0.000 1.081 185 R CB 1.067 31.371 30.300 0.007 0.000 0.984 185 R HN 0.128 nan 8.270 nan 0.000 0.448 189 L N 3.114 124.315 121.223 -0.036 0.000 3.066 189 L HA 0.389 4.729 4.340 0.000 0.000 0.265 189 L C 0.460 177.323 176.870 -0.012 0.000 1.232 189 L CA -0.217 54.614 54.840 -0.015 0.000 1.031 189 L CB 0.289 42.349 42.059 0.002 0.000 1.379 189 L HN 0.356 nan 8.230 nan 0.000 0.563 190 L N 0.651 121.862 121.223 -0.021 0.000 2.584 190 L HA 0.038 4.378 4.340 0.000 0.000 0.272 190 L C 0.521 177.384 176.870 -0.011 0.000 1.195 190 L CA 0.791 55.620 54.840 -0.017 0.000 0.920 190 L CB 0.446 42.491 42.059 -0.024 0.000 1.173 190 L HN 0.160 nan 8.230 nan 0.000 0.489 191 S N 2.313 118.009 115.700 -0.006 0.000 2.537 191 S HA 0.363 4.833 4.470 0.000 0.000 0.270 191 S C -0.060 174.537 174.600 -0.004 0.000 1.142 191 S CA -0.844 57.353 58.200 -0.004 0.000 0.870 191 S CB 1.627 64.829 63.200 0.002 0.000 1.112 191 S HN 0.651 nan 8.310 nan 0.000 0.466 192 K N 2.516 122.912 120.400 -0.007 0.000 2.397 192 K HA 0.341 4.661 4.320 0.000 0.000 0.202 192 K C -0.216 176.378 176.600 -0.010 0.000 1.022 192 K CA -0.008 56.273 56.287 -0.010 0.000 1.141 192 K CB 0.057 32.548 32.500 -0.014 0.000 0.857 192 K HN 0.478 nan 8.250 nan 0.000 0.514 193 L N 1.378 122.598 121.223 -0.005 0.000 2.395 193 L HA 0.137 4.477 4.340 0.000 0.000 0.269 193 L C 1.247 178.115 176.870 -0.003 0.000 1.133 193 L CA -0.289 54.549 54.840 -0.004 0.000 0.812 193 L CB 0.681 42.739 42.059 -0.001 0.000 1.125 193 L HN -0.039 nan 8.230 nan 0.000 0.452 194 K N 1.372 121.768 120.400 -0.006 0.000 2.334 194 K HA 0.202 4.522 4.320 0.000 0.000 0.195 194 K C -0.035 176.566 176.600 0.002 0.000 1.045 194 K CA 0.558 56.842 56.287 -0.006 0.000 1.004 194 K CB 0.498 32.988 32.500 -0.016 0.000 0.837 194 K HN 0.455 nan 8.250 nan 0.000 0.510 195 K N 1.433 121.834 120.400 0.002 0.000 2.545 195 K HA 0.180 4.500 4.320 0.000 0.000 0.252 195 K C -1.668 174.935 176.600 0.006 0.000 0.948 195 K CA -0.403 55.887 56.287 0.006 0.000 0.827 195 K CB 1.659 34.161 32.500 0.004 0.000 1.128 195 K HN -0.194 nan 8.250 nan 0.000 0.429 196 D N 2.646 123.052 120.400 0.011 0.000 2.312 196 D HA 0.134 4.774 4.640 0.000 0.000 0.229 196 D C -1.348 174.960 176.300 0.014 0.000 1.337 196 D CA -0.468 53.537 54.000 0.010 0.000 0.964 196 D CB 0.612 41.417 40.800 0.010 0.000 1.456 196 D HN 0.287 nan 8.370 nan 0.000 0.547 197 N N 2.157 120.864 118.700 0.012 0.000 3.091 197 N HA 0.231 4.971 4.740 0.000 0.000 0.255 197 N C -0.742 174.772 175.510 0.005 0.000 1.204 197 N CA -0.166 52.893 53.050 0.016 0.000 0.990 197 N CB 1.159 39.657 38.487 0.017 0.000 1.260 197 N HN 0.329 nan 8.380 nan 0.000 0.502 198 T N -1.554 113.000 114.554 -0.000 0.000 3.241 198 T HA 0.688 5.038 4.350 0.000 0.000 0.387 198 T C 0.592 175.268 174.700 -0.041 0.000 1.451 198 T CA -0.481 61.607 62.100 -0.020 0.000 1.363 198 T CB 0.693 69.550 68.868 -0.019 0.000 1.074 198 T HN 0.477 nan 8.240 nan 0.000 0.598 199 G N 1.825 110.584 108.800 -0.067 0.000 2.627 199 G HA2 -0.059 3.901 3.960 0.000 0.000 0.214 199 G HA3 -0.059 3.901 3.960 0.000 0.000 0.214 199 G C -0.990 173.888 174.900 -0.037 0.000 1.331 199 G CA -1.024 43.974 45.100 -0.169 0.000 0.891 199 G HN 0.633 nan 8.290 nan 0.000 0.539 200 Y N 0.499 120.809 120.300 0.015 0.000 2.357 200 Y HA 0.466 5.016 4.550 0.000 0.000 0.340 200 Y C 1.037 176.952 175.900 0.025 0.000 1.260 200 Y CA -0.651 57.459 58.100 0.015 0.000 1.425 200 Y CB 0.623 39.090 38.460 0.011 0.000 1.326 200 Y HN 0.531 nan 8.280 nan 0.000 0.580 201 D N 2.158 122.677 120.400 0.198 0.000 2.483 201 D HA 0.126 4.766 4.640 0.000 0.000 0.220 201 D C 0.379 176.753 176.300 0.123 0.000 1.173 201 D CA 0.245 54.319 54.000 0.124 0.000 0.964 201 D CB -0.065 40.786 40.800 0.085 0.000 1.046 201 D HN 0.589 nan 8.370 nan 0.000 0.517 202 L N 2.767 124.082 121.223 0.154 0.000 2.270 202 L HA 0.049 4.389 4.340 0.000 0.000 0.210 202 L C 2.516 179.543 176.870 0.262 0.000 1.104 202 L CA 0.071 55.025 54.840 0.189 0.000 0.804 202 L CB -0.213 42.002 42.059 0.260 0.000 0.937 202 L HN 0.344 nan 8.230 nan 0.000 0.450 203 R N 0.884 121.516 120.500 0.219 0.000 2.112 203 R HA -0.233 4.107 4.340 0.000 0.000 0.242 203 R C 1.606 178.031 176.300 0.208 0.000 1.137 203 R CA 2.283 58.515 56.100 0.220 0.000 0.944 203 R CB -0.238 30.138 30.300 0.126 0.000 0.857 203 R HN 0.316 nan 8.270 nan 0.000 0.435 204 D N 0.339 120.811 120.400 0.120 0.000 2.350 204 D HA -0.117 4.523 4.640 0.000 0.000 0.216 204 D C 1.699 178.015 176.300 0.026 0.000 0.968 204 D CA 0.482 54.527 54.000 0.074 0.000 0.894 204 D CB 0.099 40.927 40.800 0.047 0.000 0.909 204 D HN 0.210 nan 8.370 nan 0.000 0.520 205 L N -0.490 120.720 121.223 -0.022 0.000 2.109 205 L HA -0.044 4.296 4.340 0.000 0.000 0.207 205 L C 1.664 178.362 176.870 -0.287 0.000 1.086 205 L CA 1.349 56.062 54.840 -0.210 0.000 0.760 205 L CB -0.350 41.486 42.059 -0.372 0.000 0.910 205 L HN -0.118 nan 8.230 nan 0.000 0.437 206 F N -0.860 119.100 119.950 0.017 0.000 2.512 206 F HA 0.140 4.667 4.527 0.000 0.000 0.296 206 F C 1.149 176.961 175.800 0.020 0.000 1.110 206 F CA -0.045 57.965 58.000 0.016 0.000 1.446 206 F CB -0.299 38.711 39.000 0.017 0.000 1.092 206 F HN -0.197 nan 8.300 nan 0.000 0.554 207 I N 0.801 121.478 120.570 0.177 0.000 2.421 207 I HA 0.257 4.427 4.170 0.000 0.000 0.291 207 I C 1.196 177.354 176.117 0.068 0.000 1.089 207 I CA 0.407 61.777 61.300 0.116 0.000 1.354 207 I CB -0.049 38.013 38.000 0.103 0.000 1.413 207 I HN 0.415 nan 8.210 nan 0.000 0.513 208 G N 4.535 113.373 108.800 0.063 0.000 2.195 208 G HA2 -0.263 3.697 3.960 0.000 0.000 0.224 208 G HA3 -0.263 3.697 3.960 0.000 0.000 0.224 208 G C 0.987 175.903 174.900 0.028 0.000 0.990 208 G CA 0.147 45.271 45.100 0.039 0.000 0.639 208 G HN 0.720 nan 8.290 nan 0.000 0.514 209 A N 0.523 123.365 122.820 0.036 0.000 2.168 209 A HA 0.451 4.771 4.320 0.000 0.000 0.215 209 A C 1.328 178.935 177.584 0.037 0.000 1.152 209 A CA 1.814 53.864 52.037 0.021 0.000 0.716 209 A CB -0.472 18.542 19.000 0.022 0.000 0.794 209 A HN 1.318 nan 8.150 nan 0.000 0.465 210 E N -2.660 117.570 120.200 0.051 0.000 2.476 210 E HA -0.253 4.097 4.350 0.000 0.000 0.251 210 E C 0.805 177.432 176.600 0.045 0.000 1.130 210 E CA 0.382 56.809 56.400 0.046 0.000 0.736 210 E CB -2.224 27.497 29.700 0.034 0.000 1.298 210 E HN 1.525 nan 8.360 nan 0.000 0.400 211 G N -0.466 108.372 108.800 0.063 0.000 2.155 211 G HA2 -0.425 3.535 3.960 0.000 0.000 0.257 211 G HA3 -0.425 3.535 3.960 0.000 0.000 0.257 211 G C 0.788 175.721 174.900 0.055 0.000 0.983 211 G CA 1.341 46.477 45.100 0.060 0.000 0.676 211 G HN 0.724 nan 8.290 nan 0.000 0.528 212 T N -2.088 112.496 114.554 0.051 0.000 3.081 212 T HA 0.430 4.780 4.350 0.000 0.000 0.255 212 T C 1.994 176.722 174.700 0.047 0.000 1.113 212 T CA 1.029 63.150 62.100 0.035 0.000 1.082 212 T CB 0.068 68.945 68.868 0.014 0.000 0.939 212 T HN 0.386 nan 8.240 nan 0.000 0.506 213 L N 0.066 121.343 121.223 0.089 0.000 2.731 213 L HA 0.561 4.901 4.340 0.000 0.000 0.240 213 L C 1.167 178.199 176.870 0.271 0.000 1.120 213 L CA -0.139 54.778 54.840 0.128 0.000 0.913 213 L CB 0.404 42.467 42.059 0.006 0.000 1.213 213 L HN 0.579 nan 8.230 nan 0.000 0.515 214 G N 0.412 109.340 108.800 0.214 0.000 2.336 214 G HA2 0.222 4.182 3.960 0.000 0.000 0.300 214 G HA3 0.222 4.182 3.960 0.000 0.000 0.300 214 G C -1.613 173.331 174.900 0.074 0.000 1.375 214 G CA -0.829 44.355 45.100 0.139 0.000 0.885 214 G HN -0.103 nan 8.290 nan 0.000 0.599 215 I N 1.120 121.693 120.570 0.005 0.000 2.330 215 I HA 0.358 4.528 4.170 0.000 0.000 0.289 215 I C 0.340 176.423 176.117 -0.056 0.000 1.001 215 I CA -0.647 60.645 61.300 -0.013 0.000 1.193 215 I CB 1.394 39.384 38.000 -0.016 0.000 1.345 215 I HN 0.271 nan 8.210 nan 0.000 0.461 216 I N 5.908 126.453 120.570 -0.043 0.000 2.471 216 I HA 0.029 4.199 4.170 0.000 0.000 0.286 216 I C 1.402 177.490 176.117 -0.048 0.000 1.079 216 I CA 0.243 61.504 61.300 -0.064 0.000 1.398 216 I CB 1.109 39.093 38.000 -0.027 0.000 1.403 216 I HN 0.700 nan 8.210 nan 0.000 0.530 217 T N 1.839 116.356 114.554 -0.061 0.000 2.990 217 T HA 0.544 4.894 4.350 0.000 0.000 0.250 217 T C 0.341 175.014 174.700 -0.045 0.000 1.041 217 T CA 0.080 62.151 62.100 -0.048 0.000 1.010 217 T CB 0.560 69.398 68.868 -0.050 0.000 1.003 217 T HN 0.680 nan 8.240 nan 0.000 0.499 218 A N 0.073 122.864 122.820 -0.049 0.000 2.601 218 A HA 0.894 5.214 4.320 0.000 0.000 0.291 218 A C -1.448 176.111 177.584 -0.041 0.000 1.075 218 A CA -0.575 51.435 52.037 -0.045 0.000 0.671 218 A CB 0.942 19.915 19.000 -0.045 0.000 1.277 218 A HN 1.180 nan 8.150 nan 0.000 0.417 219 A N -0.188 122.609 122.820 -0.038 0.000 2.612 219 A HA 0.851 5.171 4.320 0.000 0.000 0.293 219 A C -0.655 176.912 177.584 -0.029 0.000 1.075 219 A CA -0.261 51.762 52.037 -0.025 0.000 0.680 219 A CB 1.245 20.241 19.000 -0.007 0.000 1.279 219 A HN 1.203 nan 8.150 nan 0.000 0.411 220 T N 1.937 116.484 114.554 -0.012 0.000 2.758 220 T HA 0.613 4.963 4.350 0.000 0.000 0.285 220 T C -0.379 174.331 174.700 0.017 0.000 0.981 220 T CA -0.035 62.058 62.100 -0.011 0.000 0.965 220 T CB 0.164 69.028 68.868 -0.007 0.000 0.927 220 T HN 0.455 nan 8.240 nan 0.000 0.448 221 L N 2.359 123.589 121.223 0.012 0.000 2.303 221 L HA 0.588 4.928 4.340 0.000 0.000 0.266 221 L C 0.310 177.256 176.870 0.127 0.000 1.011 221 L CA -1.330 53.571 54.840 0.101 0.000 0.818 221 L CB 1.621 43.714 42.059 0.057 0.000 1.326 221 L HN 0.351 nan 8.230 nan 0.000 0.435 222 K N 1.548 122.084 120.400 0.227 0.000 2.218 222 K HA 0.554 4.874 4.320 0.000 0.000 0.276 222 K C -1.000 175.741 176.600 0.234 0.000 1.022 222 K CA -0.351 56.002 56.287 0.109 0.000 0.946 222 K CB 1.048 33.539 32.500 -0.015 0.000 1.000 222 K HN 0.349 nan 8.250 nan 0.000 0.468 223 L N 2.761 124.005 121.223 0.034 0.000 2.330 223 L HA 0.547 4.887 4.340 0.000 0.000 0.271 223 L C -0.690 176.142 176.870 -0.063 0.000 1.013 223 L CA -0.884 54.047 54.840 0.151 0.000 0.816 223 L CB 0.777 42.888 42.059 0.086 0.000 1.287 223 L HN 0.457 nan 8.230 nan 0.000 0.435 224 F N 0.438 120.407 119.950 0.031 0.000 2.611 224 F HA 0.549 5.076 4.527 0.000 0.000 0.324 224 F C -2.161 173.652 175.800 0.021 0.000 1.061 224 F CA -2.457 55.553 58.000 0.017 0.000 0.954 224 F CB 1.035 40.016 39.000 -0.031 0.000 1.301 224 F HN 0.183 nan 8.300 nan 0.000 0.482 225 P HA 0.046 nan 4.420 nan 0.000 0.268 225 P C -1.012 176.370 177.300 0.137 0.000 1.204 225 P CA -0.328 62.859 63.100 0.146 0.000 0.768 225 P CB 0.490 32.271 31.700 0.134 0.000 0.842 226 K N 5.167 125.621 120.400 0.090 0.000 2.339 226 K HA 0.227 4.547 4.320 0.000 0.000 0.286 226 K C -2.083 174.559 176.600 0.068 0.000 1.050 226 K CA -1.836 54.491 56.287 0.067 0.000 0.956 226 K CB 0.002 32.531 32.500 0.048 0.000 0.990 226 K HN 0.331 nan 8.250 nan 0.000 0.475 227 P HA 0.088 nan 4.420 nan 0.000 0.271 227 P C -0.487 176.843 177.300 0.051 0.000 1.218 227 P CA -0.201 62.940 63.100 0.069 0.000 0.780 227 P CB 1.315 33.062 31.700 0.079 0.000 0.901 228 R N 1.924 122.453 120.500 0.048 0.000 2.156 228 R HA 0.305 4.645 4.340 0.000 0.000 0.207 228 R C 0.264 176.586 176.300 0.037 0.000 1.040 228 R CA 0.783 56.906 56.100 0.039 0.000 1.013 228 R CB -0.035 30.287 30.300 0.036 0.000 0.931 228 R HN 0.612 nan 8.270 nan 0.000 0.465 229 A N -0.036 122.810 122.820 0.043 0.000 2.398 229 A HA 0.633 4.953 4.320 0.000 0.000 0.301 229 A C -1.502 176.113 177.584 0.053 0.000 1.041 229 A CA -0.660 51.403 52.037 0.043 0.000 0.711 229 A CB 1.959 20.984 19.000 0.041 0.000 1.240 229 A HN -0.009 nan 8.150 nan 0.000 0.420 230 V N 3.083 123.031 119.914 0.056 0.000 2.483 230 V HA 0.532 4.652 4.120 0.000 0.000 0.297 230 V C -0.704 175.439 176.094 0.082 0.000 1.027 230 V CA -0.583 61.761 62.300 0.074 0.000 0.855 230 V CB 1.564 33.432 31.823 0.074 0.000 0.995 230 V HN 0.909 nan 8.190 nan 0.000 0.424 231 E N 2.370 122.626 120.200 0.093 0.000 2.238 231 E HA 0.716 5.066 4.350 0.000 0.000 0.267 231 E C -0.859 175.814 176.600 0.122 0.000 0.887 231 E CA -0.521 55.934 56.400 0.091 0.000 0.769 231 E CB 2.663 32.407 29.700 0.072 0.000 1.187 231 E HN 0.652 nan 8.360 nan 0.000 0.416 232 T N 0.379 115.009 114.554 0.127 0.000 2.900 232 T HA 0.796 5.146 4.350 0.000 0.000 0.295 232 T C -0.951 173.860 174.700 0.184 0.000 1.044 232 T CA -0.772 61.423 62.100 0.158 0.000 0.995 232 T CB 1.906 70.909 68.868 0.225 0.000 1.072 232 T HN 0.537 nan 8.240 nan 0.000 0.473 233 A N 1.598 124.496 122.820 0.130 0.000 2.549 233 A HA 0.824 5.144 4.320 0.000 0.000 0.297 233 A C -1.959 175.581 177.584 -0.073 0.000 1.061 233 A CA -0.640 51.491 52.037 0.157 0.000 0.690 233 A CB 1.293 20.335 19.000 0.070 0.000 1.287 233 A HN 0.667 nan 8.150 nan 0.000 0.402 234 F N 1.447 121.293 119.950 -0.173 0.000 2.458 234 F HA 0.638 5.165 4.527 0.000 0.000 0.336 234 F C -0.246 175.429 175.800 -0.208 0.000 1.114 234 F CA -0.387 57.369 58.000 -0.406 0.000 0.987 234 F CB 2.191 40.684 39.000 -0.844 0.000 1.130 234 F HN 0.383 nan 8.300 nan 0.000 0.458 235 V N 3.255 123.202 119.914 0.054 0.000 2.735 235 V HA 0.740 4.860 4.120 0.000 0.000 0.310 235 V C -0.016 176.048 176.094 -0.050 0.000 1.061 235 V CA -0.960 61.305 62.300 -0.059 0.000 0.913 235 V CB 1.759 33.474 31.823 -0.180 0.000 1.005 235 V HN 0.880 nan 8.190 nan 0.000 0.428 236 G N 3.578 112.180 108.800 -0.330 0.000 2.368 236 G HA2 0.729 4.689 3.960 0.000 0.000 0.320 236 G HA3 0.729 4.689 3.960 0.000 0.000 0.320 236 G C -1.314 173.196 174.900 -0.650 0.000 1.158 236 G CA -0.292 44.380 45.100 -0.715 0.000 0.912 236 G HN 0.457 nan 8.290 nan 0.000 0.456 237 L N 0.786 121.791 121.223 -0.364 0.000 2.341 237 L HA 0.495 4.835 4.340 0.000 0.000 0.254 237 L C 1.022 177.896 176.870 0.005 0.000 1.040 237 L CA -0.891 53.847 54.840 -0.169 0.000 0.837 237 L CB 1.614 43.618 42.059 -0.092 0.000 1.425 237 L HN 0.301 nan 8.230 nan 0.000 0.414 238 Q N 0.093 119.918 119.800 0.043 0.000 2.354 238 Q HA 0.189 4.529 4.340 0.000 0.000 0.203 238 Q C 0.062 176.171 176.000 0.183 0.000 0.933 238 Q CA 0.649 56.524 55.803 0.120 0.000 0.901 238 Q CB 0.527 29.308 28.738 0.072 0.000 1.007 238 Q HN 0.791 nan 8.270 nan 0.000 0.495 239 S N -2.122 113.602 115.700 0.040 0.000 2.588 239 S HA 0.399 4.869 4.470 0.000 0.000 0.269 239 S C -2.605 171.724 174.600 -0.452 0.000 1.157 239 S CA -1.188 56.891 58.200 -0.202 0.000 0.824 239 S CB 1.981 65.107 63.200 -0.122 0.000 1.126 239 S HN -0.295 nan 8.310 nan 0.000 0.464 240 P HA -0.029 nan 4.420 nan 0.000 0.218 240 P C 0.801 177.928 177.300 -0.290 0.000 1.149 240 P CA 1.069 63.788 63.100 -0.634 0.000 0.817 240 P CB -0.017 31.235 31.700 -0.748 0.000 0.785 241 D N -0.595 119.668 120.400 -0.229 0.000 2.144 241 D HA -0.152 4.488 4.640 0.000 0.000 0.199 241 D C 1.300 177.541 176.300 -0.098 0.000 0.984 241 D CA 1.173 55.093 54.000 -0.132 0.000 0.834 241 D CB -0.336 40.403 40.800 -0.101 0.000 0.955 241 D HN 0.141 nan 8.370 nan 0.000 0.465 242 D N 0.297 120.639 120.400 -0.097 0.000 2.149 242 D HA -0.053 4.587 4.640 0.000 0.000 0.201 242 D C 2.004 178.284 176.300 -0.034 0.000 0.972 242 D CA 0.861 54.824 54.000 -0.062 0.000 0.835 242 D CB -0.255 40.511 40.800 -0.057 0.000 0.966 242 D HN 0.108 nan 8.370 nan 0.000 0.476 243 A N 0.634 123.434 122.820 -0.032 0.000 1.933 243 A HA -0.127 4.193 4.320 0.000 0.000 0.218 243 A C 2.108 179.744 177.584 0.087 0.000 1.175 243 A CA 0.903 52.989 52.037 0.081 0.000 0.628 243 A CB -0.626 18.424 19.000 0.084 0.000 0.814 243 A HN 0.249 nan 8.150 nan 0.000 0.444 244 L N -0.209 120.996 121.223 -0.029 0.000 2.056 244 L HA -0.099 4.241 4.340 0.000 0.000 0.207 244 L C 2.137 178.948 176.870 -0.098 0.000 1.078 244 L CA 2.175 56.962 54.840 -0.088 0.000 0.749 244 L CB -0.463 41.540 42.059 -0.092 0.000 0.901 244 L HN 0.327 nan 8.230 nan 0.000 0.433 245 K N -0.962 119.402 120.400 -0.061 0.000 2.148 245 K HA -0.153 4.167 4.320 0.000 0.000 0.204 245 K C 1.963 178.540 176.600 -0.038 0.000 1.050 245 K CA 1.376 57.632 56.287 -0.052 0.000 0.942 245 K CB -0.331 32.146 32.500 -0.039 0.000 0.724 245 K HN 0.229 nan 8.250 nan 0.000 0.446 246 L N 1.078 122.308 121.223 0.011 0.000 2.156 246 L HA -0.077 4.263 4.340 0.000 0.000 0.208 246 L C 1.920 178.814 176.870 0.041 0.000 1.095 246 L CA 1.158 56.052 54.840 0.089 0.000 0.770 246 L CB -0.360 41.822 42.059 0.205 0.000 0.914 246 L HN 0.078 nan 8.230 nan 0.000 0.439 247 L N -0.286 120.790 121.223 -0.245 0.000 2.046 247 L HA -0.019 4.321 4.340 0.000 0.000 0.208 247 L C 2.337 179.008 176.870 -0.331 0.000 1.077 247 L CA 2.113 56.511 54.840 -0.737 0.000 0.747 247 L CB -1.394 40.131 42.059 -0.890 0.000 0.896 247 L HN 0.280 nan 8.230 nan 0.000 0.432 248 G N -0.370 108.311 108.800 -0.199 0.000 2.422 248 G HA2 -0.249 3.711 3.960 0.000 0.000 0.218 248 G HA3 -0.249 3.711 3.960 0.000 0.000 0.218 248 G C 1.623 176.476 174.900 -0.078 0.000 1.146 248 G CA 1.213 46.238 45.100 -0.124 0.000 0.769 248 G HN 0.488 nan 8.290 nan 0.000 0.547 249 I N 1.223 121.762 120.570 -0.051 0.000 2.202 249 I HA -0.129 4.041 4.170 0.000 0.000 0.242 249 I C 3.305 179.421 176.117 -0.001 0.000 1.091 249 I CA 0.922 62.214 61.300 -0.013 0.000 1.368 249 I CB -0.259 37.748 38.000 0.011 0.000 1.058 249 I HN 0.234 nan 8.210 nan 0.000 0.410 250 A N 0.282 123.108 122.820 0.011 0.000 1.883 250 A HA -0.284 4.036 4.320 0.000 0.000 0.217 250 A C 2.261 179.842 177.584 -0.005 0.000 1.186 250 A CA 1.782 53.847 52.037 0.046 0.000 0.624 250 A CB -0.710 18.374 19.000 0.141 0.000 0.822 250 A HN 0.477 nan 8.150 nan 0.000 0.444 251 Q N -1.062 118.700 119.800 -0.063 0.000 2.084 251 Q HA -0.105 4.235 4.340 0.000 0.000 0.202 251 Q C 2.198 178.174 176.000 -0.041 0.000 0.978 251 Q CA 1.256 57.019 55.803 -0.067 0.000 0.844 251 Q CB -0.429 28.248 28.738 -0.102 0.000 0.898 251 Q HN 0.690 nan 8.270 nan 0.000 0.426 252 G N 0.175 108.954 108.800 -0.035 0.000 2.448 252 G HA2 -0.237 3.723 3.960 0.000 0.000 0.218 252 G HA3 -0.237 3.723 3.960 0.000 0.000 0.218 252 G C 1.215 176.110 174.900 -0.009 0.000 1.135 252 G CA 0.634 45.721 45.100 -0.022 0.000 0.784 252 G HN 0.214 nan 8.290 nan 0.000 0.543 253 E N -0.567 119.633 120.200 -0.000 0.000 2.364 253 E HA 0.399 4.749 4.350 0.000 0.000 0.196 253 E C 2.130 178.738 176.600 0.013 0.000 0.990 253 E CA 0.771 57.177 56.400 0.011 0.000 0.886 253 E CB 0.250 29.963 29.700 0.022 0.000 0.866 253 E HN 0.282 nan 8.360 nan 0.000 0.493 254 A N -0.564 122.261 122.820 0.009 0.000 2.226 254 A HA 0.697 5.017 4.320 0.000 0.000 0.207 254 A C 1.281 178.860 177.584 -0.008 0.000 1.293 254 A CA 0.724 52.767 52.037 0.009 0.000 0.968 254 A CB 0.002 19.016 19.000 0.023 0.000 1.044 254 A HN 0.255 nan 8.150 nan 0.000 0.493 255 A N -0.774 122.035 122.820 -0.019 0.000 5.395 255 A HA -0.199 4.121 4.320 0.000 0.000 0.324 255 A C 2.145 179.698 177.584 -0.051 0.000 1.813 255 A CA 1.923 53.941 52.037 -0.032 0.000 0.714 255 A CB -1.963 17.024 19.000 -0.021 0.000 1.374 255 A HN 1.768 nan 8.150 nan 0.000 0.390 256 G N -1.085 107.682 108.800 -0.055 0.000 2.535 256 G HA2 -0.058 3.902 3.960 0.000 0.000 0.218 256 G HA3 -0.058 3.902 3.960 0.000 0.000 0.218 256 G C 0.856 175.685 174.900 -0.118 0.000 1.122 256 G CA 1.429 46.471 45.100 -0.097 0.000 0.769 256 G HN 0.711 nan 8.290 nan 0.000 0.549 257 N N -0.290 118.375 118.700 -0.059 0.000 2.494 257 N HA 0.020 4.760 4.740 0.000 0.000 0.182 257 N C 0.577 176.066 175.510 -0.034 0.000 1.076 257 N CA -0.043 52.984 53.050 -0.037 0.000 0.908 257 N CB 0.005 38.494 38.487 0.002 0.000 0.967 257 N HN 0.274 nan 8.380 nan 0.000 0.449 258 L N 1.861 123.061 121.223 -0.039 0.000 2.454 258 L HA 0.127 4.467 4.340 0.000 0.000 0.284 258 L C 1.178 178.026 176.870 -0.036 0.000 1.139 258 L CA 0.308 55.150 54.840 0.003 0.000 0.911 258 L CB -0.028 42.045 42.059 0.024 0.000 1.262 258 L HN 0.066 nan 8.230 nan 0.000 0.453 259 T N -1.058 113.491 114.554 -0.008 0.000 3.086 259 T HA 0.311 4.661 4.350 0.000 0.000 0.250 259 T C 0.548 175.289 174.700 0.069 0.000 1.074 259 T CA 0.103 62.182 62.100 -0.033 0.000 0.988 259 T CB -0.065 68.803 68.868 0.000 0.000 0.988 259 T HN 0.484 nan 8.240 nan 0.000 0.530 260 S N 0.126 115.916 115.700 0.150 0.000 2.535 260 S HA 0.629 5.099 4.470 0.000 0.000 0.272 260 S C -2.033 172.721 174.600 0.256 0.000 1.149 260 S CA -0.815 57.526 58.200 0.235 0.000 0.888 260 S CB 1.795 65.239 63.200 0.406 0.000 1.110 260 S HN 0.311 nan 8.310 nan 0.000 0.463 261 F N 2.363 122.370 119.950 0.095 0.000 3.282 261 F HA 0.321 4.848 4.527 0.000 0.000 0.398 261 F C -0.876 174.972 175.800 0.080 0.000 1.205 261 F CA -0.205 57.823 58.000 0.046 0.000 1.273 261 F CB 0.668 39.682 39.000 0.024 0.000 2.153 261 F HN 0.419 nan 8.300 nan 0.000 0.680 262 E N 3.969 124.200 120.200 0.052 0.000 2.227 262 E HA 0.302 4.652 4.350 0.000 0.000 0.282 262 E C -1.058 175.583 176.600 0.069 0.000 1.015 262 E CA -0.851 55.626 56.400 0.129 0.000 0.823 262 E CB 2.633 32.381 29.700 0.080 0.000 1.081 262 E HN 0.500 nan 8.360 nan 0.000 0.396 263 L N 4.414 125.759 121.223 0.203 0.000 2.275 263 L HA 0.415 4.755 4.340 0.000 0.000 0.288 263 L C -0.844 176.230 176.870 0.340 0.000 1.046 263 L CA -0.138 54.855 54.840 0.255 0.000 0.805 263 L CB 0.439 42.655 42.059 0.261 0.000 1.193 263 L HN 0.418 nan 8.230 nan 0.000 0.426 264 I N 5.485 126.280 120.570 0.375 0.000 2.468 264 I HA 0.531 4.701 4.170 0.000 0.000 0.285 264 I C 0.225 176.527 176.117 0.308 0.000 1.039 264 I CA -0.750 60.746 61.300 0.328 0.000 1.074 264 I CB 1.736 39.832 38.000 0.160 0.000 1.228 264 I HN 0.756 nan 8.210 nan 0.000 0.436 265 A N 4.552 127.403 122.820 0.053 0.000 2.386 265 A HA 0.145 4.465 4.320 0.000 0.000 0.246 265 A C 1.322 178.723 177.584 -0.306 0.000 1.089 265 A CA -0.010 51.648 52.037 -0.632 0.000 0.790 265 A CB 0.436 18.907 19.000 -0.880 0.000 1.042 265 A HN 0.918 nan 8.150 nan 0.000 0.497 266 E N 0.231 120.206 120.200 -0.376 0.000 2.058 266 E HA -0.183 4.167 4.350 0.000 0.000 0.194 266 E C 1.671 178.133 176.600 -0.229 0.000 0.997 266 E CA 2.004 58.333 56.400 -0.118 0.000 0.801 266 E CB -0.215 29.405 29.700 -0.132 0.000 0.746 266 E HN 0.803 nan 8.360 nan 0.000 0.450 267 T N 1.502 115.848 114.554 -0.347 0.000 2.684 267 T HA -0.123 4.227 4.350 0.000 0.000 0.267 267 T C -1.106 173.132 174.700 -0.770 0.000 1.036 267 T CA 1.824 63.615 62.100 -0.515 0.000 1.148 267 T CB -1.150 67.392 68.868 -0.542 0.000 0.863 267 T HN 0.312 nan 8.240 nan 0.000 0.436 268 P HA -0.003 nan 4.420 nan 0.000 0.217 268 P C 1.807 178.901 177.300 -0.343 0.000 1.150 268 P CA 0.795 63.586 63.100 -0.516 0.000 0.832 268 P CB -0.226 31.241 31.700 -0.388 0.000 0.787 269 L N -0.037 121.009 121.223 -0.296 0.000 2.056 269 L HA -0.149 4.191 4.340 0.000 0.000 0.207 269 L C 2.278 179.023 176.870 -0.208 0.000 1.078 269 L CA 1.989 56.657 54.840 -0.287 0.000 0.749 269 L CB -0.897 40.892 42.059 -0.449 0.000 0.901 269 L HN -0.131 nan 8.230 nan 0.000 0.433 270 D N -0.422 119.880 120.400 -0.162 0.000 2.097 270 D HA -0.243 4.397 4.640 0.000 0.000 0.195 270 D C 2.063 178.423 176.300 0.101 0.000 0.989 270 D CA 1.541 55.511 54.000 -0.049 0.000 0.827 270 D CB -0.135 40.657 40.800 -0.012 0.000 0.966 270 D HN 0.299 nan 8.370 nan 0.000 0.456 271 F N 0.795 120.686 119.950 -0.098 0.000 2.126 271 F HA -0.104 4.423 4.527 0.000 0.000 0.299 271 F C 2.948 178.731 175.800 -0.029 0.000 1.096 271 F CA 0.958 58.953 58.000 -0.009 0.000 1.255 271 F CB -1.362 37.646 39.000 0.014 0.000 0.997 271 F HN -0.006 nan 8.300 nan 0.000 0.479 272 S N -0.308 115.457 115.700 0.108 0.000 2.383 272 S HA -0.097 4.373 4.470 0.000 0.000 0.227 272 S C 2.273 176.857 174.600 -0.028 0.000 1.026 272 S CA 1.080 59.290 58.200 0.016 0.000 0.981 272 S CB -0.413 62.750 63.200 -0.061 0.000 0.818 272 S HN 0.073 nan 8.310 nan 0.000 0.472 273 V N 2.013 121.882 119.914 -0.075 0.000 2.307 273 V HA -0.080 4.040 4.120 0.000 0.000 0.245 273 V C 2.626 178.651 176.094 -0.114 0.000 1.045 273 V CA 1.799 64.037 62.300 -0.103 0.000 1.024 273 V CB -0.581 31.161 31.823 -0.135 0.000 0.651 273 V HN 0.425 nan 8.190 nan 0.000 0.449 274 R N -0.928 119.468 120.500 -0.174 0.000 2.090 274 R HA -0.052 4.288 4.340 0.000 0.000 0.228 274 R C 2.022 178.101 176.300 -0.369 0.000 1.110 274 R CA 1.169 57.078 56.100 -0.319 0.000 0.973 274 R CB -0.215 29.797 30.300 -0.480 0.000 0.869 274 R HN 0.605 nan 8.270 nan 0.000 0.440 275 H N -1.616 117.430 119.070 -0.040 0.000 2.705 275 H HA 0.305 4.861 4.556 0.000 0.000 0.269 275 H C 0.597 175.907 175.328 -0.031 0.000 0.998 275 H CA 0.449 56.467 56.048 -0.050 0.000 1.193 275 H CB 1.109 30.822 29.762 -0.081 0.000 1.485 275 H HN 0.158 nan 8.280 nan 0.000 0.521 276 A N 0.845 123.705 122.820 0.066 0.000 2.589 276 A HA 0.120 4.440 4.320 0.000 0.000 0.283 276 A C 0.517 178.112 177.584 0.017 0.000 1.187 276 A CA -0.239 51.824 52.037 0.043 0.000 0.957 276 A CB -0.113 18.912 19.000 0.043 0.000 1.175 276 A HN 0.265 nan 8.150 nan 0.000 0.532 277 N N 1.150 119.849 118.700 -0.001 0.000 2.705 277 N HA -0.154 4.586 4.740 0.000 0.000 0.255 277 N C -1.116 174.389 175.510 -0.010 0.000 1.008 277 N CA 0.842 53.885 53.050 -0.011 0.000 0.742 277 N CB -1.307 37.180 38.487 -0.000 0.000 0.906 277 N HN 0.591 nan 8.380 nan 0.000 0.541 278 N N 0.569 119.254 118.700 -0.024 0.000 2.370 278 N HA 0.273 5.013 4.740 0.000 0.000 0.303 278 N C -0.166 175.313 175.510 -0.052 0.000 1.103 278 N CA -0.566 52.469 53.050 -0.024 0.000 0.848 278 N CB 1.400 39.871 38.487 -0.028 0.000 1.235 278 N HN 0.307 nan 8.380 nan 0.000 0.496 279 R N 0.763 121.239 120.500 -0.040 0.000 2.390 279 R HA 0.048 4.388 4.340 0.000 0.000 0.291 279 R C -0.606 175.616 176.300 -0.131 0.000 1.070 279 R CA -0.396 55.670 56.100 -0.056 0.000 1.014 279 R CB 0.474 30.769 30.300 -0.008 0.000 1.007 279 R HN 0.422 nan 8.270 nan 0.000 0.466 280 D N 5.866 126.177 120.400 -0.147 0.000 2.346 280 D HA 0.051 4.691 4.640 0.000 0.000 0.260 280 D C -1.386 174.783 176.300 -0.220 0.000 1.252 280 D CA -1.978 51.888 54.000 -0.224 0.000 0.895 280 D CB 1.510 42.216 40.800 -0.157 0.000 1.097 280 D HN 0.405 nan 8.370 nan 0.000 0.489 281 P HA -0.014 nan 4.420 nan 0.000 0.226 281 P C 0.209 177.422 177.300 -0.144 0.000 1.153 281 P CA 0.545 63.440 63.100 -0.341 0.000 0.777 281 P CB 0.560 31.643 31.700 -1.027 0.000 0.794 282 L N -1.153 120.014 121.223 -0.093 0.000 2.323 282 L HA 0.335 4.675 4.340 0.000 0.000 0.265 282 L C 1.674 178.589 176.870 0.075 0.000 1.012 282 L CA -0.811 54.075 54.840 0.076 0.000 0.820 282 L CB 1.714 43.919 42.059 0.243 0.000 1.334 282 L HN -0.365 nan 8.230 nan 0.000 0.427 283 E N 0.998 121.258 120.200 0.100 0.000 2.106 283 E HA 0.023 4.373 4.350 0.000 0.000 0.192 283 E C 0.219 176.827 176.600 0.014 0.000 0.984 283 E CA 1.018 57.450 56.400 0.052 0.000 0.806 283 E CB 0.309 30.047 29.700 0.063 0.000 0.750 283 E HN 0.629 nan 8.360 nan 0.000 0.458 284 A N -0.441 122.386 122.820 0.012 0.000 2.346 284 A HA 0.690 5.010 4.320 0.000 0.000 0.313 284 A C -0.521 176.877 177.584 -0.309 0.000 1.140 284 A CA -0.707 51.226 52.037 -0.174 0.000 0.826 284 A CB 1.095 19.935 19.000 -0.266 0.000 1.332 284 A HN -0.058 nan 8.150 nan 0.000 0.457 285 R N -0.560 119.686 120.500 -0.423 0.000 2.486 285 R HA 0.567 4.907 4.340 0.000 0.000 0.286 285 R C -1.709 174.142 176.300 -0.748 0.000 0.999 285 R CA 0.009 55.911 56.100 -0.329 0.000 0.993 285 R CB 0.815 31.023 30.300 -0.154 0.000 1.084 285 R HN 0.688 nan 8.270 nan 0.000 0.487 286 Y N 1.091 121.292 120.300 -0.165 0.000 2.545 286 Y HA 0.302 4.852 4.550 0.000 0.000 0.348 286 Y C -1.346 174.320 175.900 -0.390 0.000 1.002 286 Y CA -2.160 55.716 58.100 -0.373 0.000 1.039 286 Y CB 1.826 39.915 38.460 -0.617 0.000 1.271 286 Y HN 0.401 nan 8.280 nan 0.000 0.467 287 P HA -0.092 nan 4.420 nan 0.000 0.219 287 P C -0.707 176.275 177.300 -0.530 0.000 1.150 287 P CA 1.410 64.368 63.100 -0.237 0.000 0.814 287 P CB 0.572 32.243 31.700 -0.047 0.000 0.787 288 W N -1.321 119.891 121.300 -0.147 0.000 2.936 288 W HA 0.512 5.172 4.660 0.000 0.000 0.338 288 W C -0.717 175.637 176.519 -0.275 0.000 1.121 288 W CA -0.516 56.777 57.345 -0.086 0.000 1.209 288 W CB 1.249 30.692 29.460 -0.027 0.000 1.420 288 W HN -0.244 nan 8.180 nan 0.000 0.516 289 Y N 0.518 120.987 120.300 0.281 0.000 2.576 289 Y HA 0.748 5.298 4.550 0.000 0.000 0.346 289 Y C -0.414 175.524 175.900 0.063 0.000 1.018 289 Y CA -1.410 56.780 58.100 0.151 0.000 1.050 289 Y CB 1.785 40.367 38.460 0.203 0.000 1.280 289 Y HN -0.002 nan 8.280 nan 0.000 0.474 290 V N 2.770 122.715 119.914 0.051 0.000 2.656 290 V HA 0.413 4.533 4.120 0.000 0.000 0.307 290 V C -1.402 174.363 176.094 -0.548 0.000 1.051 290 V CA -0.764 61.376 62.300 -0.267 0.000 0.893 290 V CB 2.180 33.731 31.823 -0.454 0.000 0.999 290 V HN 0.507 nan 8.190 nan 0.000 0.426 291 L N 6.220 127.023 121.223 -0.700 0.000 2.301 291 L HA 0.628 4.968 4.340 0.000 0.000 0.278 291 L C -0.613 175.879 176.870 -0.630 0.000 1.022 291 L CA 0.177 54.447 54.840 -0.950 0.000 0.854 291 L CB 0.808 42.165 42.059 -1.169 0.000 1.226 291 L HN 0.665 nan 8.230 nan 0.000 0.429 292 I N 3.842 124.098 120.570 -0.522 0.000 2.498 292 I HA 0.541 4.711 4.170 0.000 0.000 0.301 292 I C -0.839 175.229 176.117 -0.081 0.000 0.984 292 I CA -0.270 60.843 61.300 -0.312 0.000 1.204 292 I CB 1.508 39.314 38.000 -0.323 0.000 1.362 292 I HN 0.815 nan 8.210 nan 0.000 0.471 293 E N 6.140 126.379 120.200 0.066 0.000 2.335 293 E HA 0.452 4.802 4.350 0.000 0.000 0.280 293 E C -2.153 174.525 176.600 0.130 0.000 0.918 293 E CA -0.672 55.820 56.400 0.153 0.000 0.765 293 E CB 1.785 31.680 29.700 0.326 0.000 1.218 293 E HN 0.463 nan 8.360 nan 0.000 0.425 294 L N 2.195 123.483 121.223 0.109 0.000 2.346 294 L HA 0.556 4.896 4.340 0.000 0.000 0.274 294 L C -0.725 176.191 176.870 0.076 0.000 1.007 294 L CA -0.496 54.391 54.840 0.079 0.000 0.818 294 L CB 2.129 44.228 42.059 0.067 0.000 1.284 294 L HN 0.459 nan 8.230 nan 0.000 0.424 295 S N 0.911 116.645 115.700 0.058 0.000 2.605 295 S HA 0.708 5.178 4.470 0.000 0.000 0.308 295 S C -0.694 173.939 174.600 0.056 0.000 1.113 295 S CA -0.581 57.658 58.200 0.065 0.000 1.049 295 S CB 1.731 64.983 63.200 0.086 0.000 1.001 295 S HN 0.540 nan 8.310 nan 0.000 0.480 296 S N 2.789 118.522 115.700 0.056 0.000 2.568 296 S HA 0.639 5.109 4.470 0.000 0.000 0.293 296 S C -2.198 172.435 174.600 0.056 0.000 1.089 296 S CA -1.973 56.258 58.200 0.051 0.000 0.945 296 S CB 1.445 64.671 63.200 0.043 0.000 1.077 296 S HN 0.416 nan 8.310 nan 0.000 0.485 297 P HA 0.119 nan 4.420 nan 0.000 0.241 297 P C -0.073 177.252 177.300 0.043 0.000 1.191 297 P CA 0.359 63.492 63.100 0.054 0.000 0.771 297 P CB 0.265 32.000 31.700 0.058 0.000 0.929 298 R N -0.615 119.908 120.500 0.039 0.000 3.029 298 R HA 0.386 4.726 4.340 0.000 0.000 0.239 298 R C -0.179 176.141 176.300 0.033 0.000 1.351 298 R CA -0.702 55.417 56.100 0.033 0.000 1.052 298 R CB 0.102 30.420 30.300 0.030 0.000 1.354 298 R HN -0.322 nan 8.270 nan 0.000 0.499 299 D N 0.455 120.873 120.400 0.029 0.000 2.434 299 D HA 0.017 4.657 4.640 0.000 0.000 0.232 299 D C -0.234 176.084 176.300 0.030 0.000 1.166 299 D CA 0.294 54.311 54.000 0.029 0.000 0.830 299 D CB 0.061 40.876 40.800 0.026 0.000 0.960 299 D HN 0.439 nan 8.370 nan 0.000 0.497 300 D N -1.224 119.194 120.400 0.031 0.000 2.328 300 D HA 0.084 4.724 4.640 0.000 0.000 0.221 300 D C 1.702 178.023 176.300 0.035 0.000 1.072 300 D CA -0.124 53.894 54.000 0.030 0.000 0.850 300 D CB 0.037 40.853 40.800 0.027 0.000 0.922 300 D HN 0.057 nan 8.370 nan 0.000 0.516 301 A N 1.058 123.901 122.820 0.038 0.000 1.873 301 A HA -0.168 4.152 4.320 0.000 0.000 0.215 301 A C 2.287 179.899 177.584 0.047 0.000 1.186 301 A CA 1.383 53.447 52.037 0.044 0.000 0.616 301 A CB -0.620 18.410 19.000 0.050 0.000 0.823 301 A HN 0.217 nan 8.150 nan 0.000 0.442 302 R N -0.472 120.055 120.500 0.045 0.000 2.081 302 R HA -0.107 4.233 4.340 0.000 0.000 0.235 302 R C 2.364 178.691 176.300 0.046 0.000 1.131 302 R CA 1.403 57.531 56.100 0.047 0.000 0.960 302 R CB -0.437 29.889 30.300 0.042 0.000 0.856 302 R HN 0.454 nan 8.270 nan 0.000 0.436 303 A N 0.861 123.705 122.820 0.040 0.000 1.873 303 A HA -0.219 4.101 4.320 0.000 0.000 0.218 303 A C 2.378 179.987 177.584 0.042 0.000 1.193 303 A CA 2.095 54.155 52.037 0.038 0.000 0.629 303 A CB -1.012 18.007 19.000 0.032 0.000 0.826 303 A HN 0.554 nan 8.150 nan 0.000 0.447 304 A N -0.856 121.989 122.820 0.041 0.000 1.902 304 A HA -0.031 4.289 4.320 0.000 0.000 0.217 304 A C 2.158 179.773 177.584 0.051 0.000 1.181 304 A CA 1.832 53.895 52.037 0.042 0.000 0.623 304 A CB -0.635 18.389 19.000 0.039 0.000 0.818 304 A HN 0.739 nan 8.150 nan 0.000 0.443 305 L N 0.178 121.434 121.223 0.056 0.000 1.994 305 L HA -0.147 4.193 4.340 0.000 0.000 0.208 305 L C 2.150 179.061 176.870 0.068 0.000 1.071 305 L CA 2.511 57.389 54.840 0.062 0.000 0.745 305 L CB -0.888 41.210 42.059 0.065 0.000 0.892 305 L HN 0.532 nan 8.230 nan 0.000 0.431 306 E N -1.138 119.104 120.200 0.069 0.000 2.118 306 E HA -0.237 4.113 4.350 0.000 0.000 0.195 306 E C 2.274 178.923 176.600 0.081 0.000 0.992 306 E CA 1.331 57.779 56.400 0.080 0.000 0.804 306 E CB -0.227 29.512 29.700 0.066 0.000 0.741 306 E HN 0.547 nan 8.360 nan 0.000 0.458 307 S N 0.317 116.055 115.700 0.064 0.000 2.382 307 S HA -0.129 4.341 4.470 0.000 0.000 0.228 307 S C 1.935 176.573 174.600 0.065 0.000 1.027 307 S CA 0.789 59.025 58.200 0.059 0.000 0.991 307 S CB -0.129 63.098 63.200 0.045 0.000 0.823 307 S HN 0.173 nan 8.310 nan 0.000 0.469 308 I N 1.213 121.821 120.570 0.063 0.000 2.202 308 I HA -0.168 4.002 4.170 0.000 0.000 0.242 308 I C 2.174 178.326 176.117 0.059 0.000 1.091 308 I CA 1.121 62.457 61.300 0.061 0.000 1.368 308 I CB -0.355 37.687 38.000 0.070 0.000 1.058 308 I HN 0.292 nan 8.210 nan 0.000 0.410 309 L N 0.161 121.426 121.223 0.071 0.000 2.083 309 L HA -0.196 4.144 4.340 0.000 0.000 0.209 309 L C 2.684 179.677 176.870 0.205 0.000 1.083 309 L CA 1.090 55.975 54.840 0.075 0.000 0.752 309 L CB -0.685 41.449 42.059 0.126 0.000 0.899 309 L HN 0.332 nan 8.230 nan 0.000 0.433 310 E N 0.753 121.077 120.200 0.207 0.000 2.051 310 E HA -0.212 4.138 4.350 0.000 0.000 0.192 310 E C 2.324 179.031 176.600 0.179 0.000 0.991 310 E CA 1.198 57.732 56.400 0.223 0.000 0.799 310 E CB 0.039 29.812 29.700 0.122 0.000 0.748 310 E HN 0.322 nan 8.360 nan 0.000 0.449 311 R N -0.305 120.258 120.500 0.105 0.000 2.091 311 R HA -0.122 4.218 4.340 0.000 0.000 0.238 311 R C 2.421 178.756 176.300 0.058 0.000 1.136 311 R CA 1.192 57.334 56.100 0.070 0.000 0.959 311 R CB -0.927 29.400 30.300 0.045 0.000 0.856 311 R HN 0.293 nan 8.270 nan 0.000 0.437 312 G N 0.339 109.155 108.800 0.027 0.000 2.421 312 G HA2 -0.255 3.705 3.960 0.000 0.000 0.216 312 G HA3 -0.255 3.705 3.960 0.000 0.000 0.216 312 G C 1.277 176.146 174.900 -0.051 0.000 1.171 312 G CA 0.484 45.552 45.100 -0.054 0.000 0.775 312 G HN 0.166 nan 8.290 nan 0.000 0.543 313 F N 1.154 121.105 119.950 0.001 0.000 2.095 313 F HA -0.012 4.515 4.527 0.000 0.000 0.298 313 F C 2.794 178.595 175.800 0.001 0.000 1.104 313 F CA 1.702 59.701 58.000 -0.002 0.000 1.232 313 F CB -0.410 38.591 39.000 0.001 0.000 0.987 313 F HN 0.202 nan 8.300 nan 0.000 0.475 314 E N -0.232 120.089 120.200 0.201 0.000 2.085 314 E HA -0.225 4.125 4.350 0.000 0.000 0.194 314 E C 1.422 178.066 176.600 0.073 0.000 0.994 314 E CA 1.494 57.960 56.400 0.110 0.000 0.801 314 E CB -0.221 29.525 29.700 0.077 0.000 0.743 314 E HN 0.339 nan 8.360 nan 0.000 0.453 315 D N -1.087 119.346 120.400 0.054 0.000 2.363 315 D HA 0.015 4.655 4.640 0.000 0.000 0.226 315 D C 1.104 177.416 176.300 0.021 0.000 1.020 315 D CA 0.894 54.910 54.000 0.027 0.000 0.892 315 D CB 0.332 41.139 40.800 0.011 0.000 0.900 315 D HN 0.345 nan 8.370 nan 0.000 0.531 316 G N 1.249 110.071 108.800 0.036 0.000 2.162 316 G HA2 -0.349 3.611 3.960 0.000 0.000 0.260 316 G HA3 -0.349 3.611 3.960 0.000 0.000 0.260 316 G C 1.122 176.014 174.900 -0.012 0.000 0.976 316 G CA 0.637 45.755 45.100 0.029 0.000 0.655 316 G HN 0.521 nan 8.290 nan 0.000 0.533 317 I N -2.149 118.394 120.570 -0.046 0.000 2.584 317 I HA 0.347 4.517 4.170 0.000 0.000 0.255 317 I C 0.780 176.805 176.117 -0.153 0.000 1.145 317 I CA 0.126 61.380 61.300 -0.077 0.000 1.462 317 I CB -0.083 37.881 38.000 -0.060 0.000 1.102 317 I HN -0.018 nan 8.210 nan 0.000 0.433 318 V N 2.561 122.317 119.914 -0.263 0.000 2.406 318 V HA 0.128 4.248 4.120 0.000 0.000 0.272 318 V C 1.193 177.021 176.094 -0.442 0.000 1.043 318 V CA -0.206 61.800 62.300 -0.491 0.000 0.915 318 V CB 1.497 32.782 31.823 -0.896 0.000 0.988 318 V HN 0.164 nan 8.190 nan 0.000 0.466 319 V N 2.851 122.566 119.914 -0.332 0.000 2.685 319 V HA 0.165 4.285 4.120 0.000 0.000 0.244 319 V C 0.418 176.472 176.094 -0.067 0.000 1.054 319 V CA 1.079 63.294 62.300 -0.141 0.000 1.076 319 V CB 0.049 31.803 31.823 -0.116 0.000 0.725 319 V HN 0.962 nan 8.190 nan 0.000 0.467 320 D N -1.538 118.689 120.400 -0.288 0.000 2.717 320 D HA 0.658 5.298 4.640 0.000 0.000 0.223 320 D C -1.090 175.142 176.300 -0.114 0.000 1.240 320 D CA 0.315 54.284 54.000 -0.051 0.000 0.801 320 D CB 2.125 42.926 40.800 0.002 0.000 1.556 320 D HN 0.270 nan 8.370 nan 0.000 0.462 321 A N 0.865 123.744 122.820 0.099 0.000 2.587 321 A HA 0.927 5.247 4.320 0.000 0.000 0.293 321 A C -1.599 176.080 177.584 0.159 0.000 1.087 321 A CA -0.195 51.890 52.037 0.080 0.000 0.692 321 A CB 1.837 20.873 19.000 0.060 0.000 1.291 321 A HN 0.909 nan 8.150 nan 0.000 0.407 322 A N 1.347 124.271 122.820 0.174 0.000 2.414 322 A HA 0.652 4.972 4.320 0.000 0.000 0.286 322 A C -0.870 176.894 177.584 0.299 0.000 1.073 322 A CA -0.252 51.925 52.037 0.233 0.000 0.727 322 A CB 0.356 19.520 19.000 0.274 0.000 1.215 322 A HN 0.726 nan 8.150 nan 0.000 0.430 323 I N 2.531 123.229 120.570 0.213 0.000 2.371 323 I HA 0.397 4.567 4.170 0.000 0.000 0.290 323 I C 1.082 177.269 176.117 0.118 0.000 1.028 323 I CA -0.289 61.117 61.300 0.178 0.000 1.345 323 I CB 1.684 39.753 38.000 0.115 0.000 1.407 323 I HN 0.759 nan 8.210 nan 0.000 0.501 324 A N 5.789 128.635 122.820 0.044 0.000 2.520 324 A HA 0.132 4.452 4.320 0.000 0.000 0.245 324 A C 0.561 178.099 177.584 -0.076 0.000 1.072 324 A CA -0.105 51.821 52.037 -0.185 0.000 0.761 324 A CB -0.073 18.709 19.000 -0.363 0.000 1.004 324 A HN 0.797 nan 8.150 nan 0.000 0.499 325 N N 0.375 119.027 118.700 -0.081 0.000 2.234 325 N HA 0.146 4.886 4.740 0.000 0.000 0.227 325 N C -0.390 175.098 175.510 -0.038 0.000 1.151 325 N CA 0.775 53.804 53.050 -0.035 0.000 0.865 325 N CB 0.385 38.863 38.487 -0.015 0.000 1.066 325 N HN 0.830 nan 8.380 nan 0.000 0.515 326 S N -2.810 112.855 115.700 -0.060 0.000 2.615 326 S HA 0.276 4.746 4.470 0.000 0.000 0.268 326 S C 0.619 175.190 174.600 -0.047 0.000 1.146 326 S CA -0.701 57.473 58.200 -0.042 0.000 0.818 326 S CB 0.801 63.977 63.200 -0.041 0.000 1.111 326 S HN -0.249 nan 8.310 nan 0.000 0.465 327 V N 1.374 121.275 119.914 -0.021 0.000 2.427 327 V HA -0.141 3.980 4.120 0.000 0.000 0.248 327 V C 3.009 179.096 176.094 -0.011 0.000 1.051 327 V CA 2.256 64.553 62.300 -0.006 0.000 1.048 327 V CB -1.231 30.596 31.823 0.007 0.000 0.666 327 V HN 0.839 nan 8.190 nan 0.000 0.456 328 Q N -0.990 118.797 119.800 -0.021 0.000 2.124 328 Q HA -0.274 4.066 4.340 0.000 0.000 0.202 328 Q C 2.222 178.191 176.000 -0.052 0.000 0.977 328 Q CA 1.794 57.586 55.803 -0.018 0.000 0.850 328 Q CB -0.506 28.223 28.738 -0.015 0.000 0.901 328 Q HN 0.845 nan 8.270 nan 0.000 0.429 329 Q N -0.159 119.570 119.800 -0.119 0.000 2.123 329 Q HA -0.161 4.179 4.340 0.000 0.000 0.199 329 Q C 2.291 178.034 176.000 -0.428 0.000 0.966 329 Q CA 1.236 56.879 55.803 -0.266 0.000 0.845 329 Q CB 0.021 28.574 28.738 -0.307 0.000 0.907 329 Q HN 0.633 nan 8.270 nan 0.000 0.439 330 Q N -0.096 119.559 119.800 -0.242 0.000 2.050 330 Q HA -0.214 4.126 4.340 0.000 0.000 0.202 330 Q C 2.072 178.168 176.000 0.160 0.000 0.980 330 Q CA 1.587 57.344 55.803 -0.077 0.000 0.840 330 Q CB 0.009 28.793 28.738 0.077 0.000 0.898 330 Q HN 0.478 nan 8.270 nan 0.000 0.424 331 Q N -0.194 119.687 119.800 0.135 0.000 2.170 331 Q HA -0.115 4.225 4.340 0.000 0.000 0.203 331 Q C 1.979 178.101 176.000 0.202 0.000 0.976 331 Q CA 1.117 57.038 55.803 0.197 0.000 0.858 331 Q CB -0.103 28.702 28.738 0.111 0.000 0.907 331 Q HN 0.346 nan 8.270 nan 0.000 0.433 332 A N 0.280 123.177 122.820 0.130 0.000 1.930 332 A HA -0.145 4.175 4.320 0.000 0.000 0.217 332 A C 1.637 179.409 177.584 0.313 0.000 1.175 332 A CA 0.907 53.040 52.037 0.160 0.000 0.627 332 A CB -0.456 18.601 19.000 0.096 0.000 0.815 332 A HN 0.251 nan 8.150 nan 0.000 0.443 333 F N -1.568 118.433 119.950 0.085 0.000 2.113 333 F HA -0.110 4.417 4.527 0.000 0.000 0.297 333 F C 2.080 177.871 175.800 -0.015 0.000 1.103 333 F CA 0.160 58.205 58.000 0.075 0.000 1.248 333 F CB -1.309 37.670 39.000 -0.035 0.000 0.999 333 F HN 0.408 nan 8.300 nan 0.000 0.475 334 W N 0.499 121.978 121.300 0.298 0.000 2.436 334 W HA -0.081 4.579 4.660 0.000 0.000 0.284 334 W C 2.522 179.113 176.519 0.120 0.000 1.225 334 W CA 0.985 58.426 57.345 0.161 0.000 1.271 334 W CB -0.410 29.117 29.460 0.111 0.000 1.114 334 W HN -0.097 nan 8.180 nan 0.000 0.559 335 K N 0.930 121.522 120.400 0.320 0.000 2.097 335 K HA -0.203 4.117 4.320 0.000 0.000 0.206 335 K C 1.982 178.668 176.600 0.143 0.000 1.049 335 K CA 1.332 57.738 56.287 0.199 0.000 0.933 335 K CB -0.479 32.109 32.500 0.147 0.000 0.717 335 K HN 0.210 nan 8.250 nan 0.000 0.442 336 L N 0.853 122.154 121.223 0.130 0.000 1.994 336 L HA -0.225 4.115 4.340 0.000 0.000 0.208 336 L C 2.643 179.535 176.870 0.038 0.000 1.071 336 L CA 1.545 56.416 54.840 0.052 0.000 0.745 336 L CB -0.321 41.748 42.059 0.015 0.000 0.892 336 L HN 0.150 nan 8.230 nan 0.000 0.431 337 R N 0.485 121.034 120.500 0.081 0.000 2.073 337 R HA -0.191 4.149 4.340 0.000 0.000 0.234 337 R C 2.020 178.374 176.300 0.090 0.000 1.134 337 R CA 2.081 58.214 56.100 0.055 0.000 0.952 337 R CB -0.532 29.802 30.300 0.057 0.000 0.850 337 R HN 0.483 nan 8.270 nan 0.000 0.433 338 E N -0.037 120.272 120.200 0.182 0.000 2.204 338 E HA -0.131 4.219 4.350 0.000 0.000 0.194 338 E C 1.208 177.860 176.600 0.086 0.000 0.989 338 E CA 1.176 57.672 56.400 0.159 0.000 0.824 338 E CB 0.060 29.871 29.700 0.186 0.000 0.756 338 E HN 0.526 nan 8.360 nan 0.000 0.477 339 E N 0.226 120.460 120.200 0.057 0.000 2.465 339 E HA 0.050 4.400 4.350 0.000 0.000 0.191 339 E C 1.588 178.181 176.600 -0.011 0.000 1.053 339 E CA -0.206 56.215 56.400 0.034 0.000 0.869 339 E CB 0.237 29.963 29.700 0.043 0.000 0.977 339 E HN 0.273 nan 8.360 nan 0.000 0.483 340 I N 0.698 121.211 120.570 -0.095 0.000 2.194 340 I HA -0.332 3.838 4.170 0.000 0.000 0.246 340 I C 2.570 178.607 176.117 -0.133 0.000 1.093 340 I CA 1.000 62.162 61.300 -0.230 0.000 1.355 340 I CB -0.305 37.303 38.000 -0.653 0.000 1.046 340 I HN 0.144 nan 8.210 nan 0.000 0.413 341 S N 1.095 116.764 115.700 -0.053 0.000 2.351 341 S HA -0.103 4.367 4.470 0.000 0.000 0.220 341 S C -0.160 174.490 174.600 0.083 0.000 1.035 341 S CA 1.962 60.211 58.200 0.083 0.000 1.031 341 S CB -1.181 62.107 63.200 0.146 0.000 0.928 341 S HN 0.237 nan 8.310 nan 0.000 0.433 342 P HA 0.101 nan 4.420 nan 0.000 0.223 342 P C 1.140 178.457 177.300 0.027 0.000 1.151 342 P CA 1.269 64.397 63.100 0.046 0.000 0.787 342 P CB -0.306 31.418 31.700 0.041 0.000 0.788 343 A N 0.071 122.919 122.820 0.047 0.000 2.125 343 A HA -0.180 4.140 4.320 0.000 0.000 0.219 343 A C 2.261 179.863 177.584 0.030 0.000 1.156 343 A CA 1.175 53.254 52.037 0.070 0.000 0.671 343 A CB -1.018 18.062 19.000 0.133 0.000 0.794 343 A HN 0.234 nan 8.150 nan 0.000 0.459 344 Q N -0.639 119.204 119.800 0.072 0.000 2.137 344 Q HA -0.112 4.228 4.340 0.000 0.000 0.198 344 Q C 2.249 178.198 176.000 -0.086 0.000 0.960 344 Q CA 1.392 57.240 55.803 0.075 0.000 0.847 344 Q CB -0.106 28.741 28.738 0.182 0.000 0.915 344 Q HN 0.527 nan 8.270 nan 0.000 0.448 345 K N 0.585 120.947 120.400 -0.062 0.000 2.052 345 K HA -0.166 4.154 4.320 0.000 0.000 0.215 345 K C -0.725 175.768 176.600 -0.178 0.000 1.053 345 K CA 1.784 58.023 56.287 -0.080 0.000 0.934 345 K CB -1.824 30.648 32.500 -0.046 0.000 0.717 345 K HN 0.456 nan 8.250 nan 0.000 0.450 346 P HA -0.048 nan 4.420 nan 0.000 0.230 346 P C 0.647 177.666 177.300 -0.468 0.000 1.158 346 P CA 1.088 63.946 63.100 -0.404 0.000 0.769 346 P CB 0.079 31.414 31.700 -0.608 0.000 0.807 347 E N 0.112 120.012 120.200 -0.501 0.000 2.479 347 E HA 0.324 4.674 4.350 0.000 0.000 0.193 347 E C 0.883 177.318 176.600 -0.275 0.000 1.049 347 E CA 0.293 56.401 56.400 -0.486 0.000 0.870 347 E CB -0.213 28.957 29.700 -0.883 0.000 0.944 347 E HN 0.245 nan 8.360 nan 0.000 0.492 348 G N -1.356 107.327 108.800 -0.194 0.000 2.466 348 G HA2 -0.040 3.920 3.960 0.000 0.000 0.316 348 G HA3 -0.040 3.920 3.960 0.000 0.000 0.316 348 G C 0.256 175.124 174.900 -0.052 0.000 1.270 348 G CA -0.639 44.387 45.100 -0.123 0.000 0.982 348 G HN 0.424 nan 8.290 nan 0.000 0.506 349 G N -0.482 108.310 108.800 -0.012 0.000 2.353 349 G HA2 0.546 4.506 3.960 0.000 0.000 0.239 349 G HA3 0.546 4.506 3.960 0.000 0.000 0.239 349 G C 0.337 175.365 174.900 0.214 0.000 1.295 349 G CA 1.458 46.655 45.100 0.162 0.000 0.884 349 G HN 1.726 nan 8.290 nan 0.000 0.537 350 S N 1.410 117.275 115.700 0.276 0.000 2.561 350 S HA 0.555 5.025 4.470 0.000 0.000 0.303 350 S C -0.276 174.373 174.600 0.081 0.000 1.110 350 S CA -0.820 57.513 58.200 0.223 0.000 1.034 350 S CB 0.695 63.987 63.200 0.154 0.000 1.010 350 S HN 0.442 nan 8.310 nan 0.000 0.482 351 I N 4.994 125.488 120.570 -0.126 0.000 2.312 351 I HA 0.377 4.547 4.170 0.000 0.000 0.290 351 I C -0.100 175.575 176.117 -0.738 0.000 1.008 351 I CA -0.474 60.297 61.300 -0.882 0.000 1.226 351 I CB 1.241 38.770 38.000 -0.785 0.000 1.371 351 I HN 0.455 nan 8.210 nan 0.000 0.468 352 K N 5.561 125.392 120.400 -0.950 0.000 2.164 352 K HA 0.661 4.981 4.320 0.000 0.000 0.258 352 K C -1.221 175.087 176.600 -0.487 0.000 0.951 352 K CA -0.861 55.216 56.287 -0.350 0.000 0.844 352 K CB 1.746 34.267 32.500 0.036 0.000 1.099 352 K HN 0.503 nan 8.250 nan 0.000 0.435 353 H N 0.194 119.298 119.070 0.057 0.000 2.877 353 H HA 0.146 4.702 4.556 0.000 0.000 0.347 353 H C -1.660 173.723 175.328 0.091 0.000 1.042 353 H CA -0.765 55.365 56.048 0.136 0.000 1.276 353 H CB 1.774 31.604 29.762 0.114 0.000 1.681 353 H HN 0.531 nan 8.280 nan 0.000 0.521 354 D N 3.439 123.937 120.400 0.162 0.000 2.472 354 D HA 0.331 4.971 4.640 0.000 0.000 0.234 354 D C -0.739 175.511 176.300 -0.083 0.000 1.088 354 D CA -0.521 53.399 54.000 -0.133 0.000 0.882 354 D CB 0.329 40.916 40.800 -0.354 0.000 1.037 354 D HN 0.415 nan 8.370 nan 0.000 0.520 355 I N 0.131 120.637 120.570 -0.108 0.000 3.170 355 I HA 0.814 4.984 4.170 0.000 0.000 0.312 355 I C -0.656 175.320 176.117 -0.235 0.000 1.085 355 I CA -0.982 60.236 61.300 -0.137 0.000 0.999 355 I CB 1.978 39.894 38.000 -0.140 0.000 1.233 355 I HN 0.197 nan 8.210 nan 0.000 0.467 356 S N 1.306 116.862 115.700 -0.240 0.000 2.556 356 S HA 0.931 5.401 4.470 0.000 0.000 0.271 356 S C -0.706 173.748 174.600 -0.244 0.000 1.135 356 S CA -0.189 57.874 58.200 -0.228 0.000 0.858 356 S CB 1.344 64.461 63.200 -0.139 0.000 1.114 356 S HN 1.879 nan 8.310 nan 0.000 0.468 357 V N -2.565 117.216 119.914 -0.221 0.000 3.159 357 V HA 0.817 4.937 4.120 0.000 0.000 0.308 357 V C -3.257 172.773 176.094 -0.106 0.000 1.190 357 V CA -2.797 59.402 62.300 -0.167 0.000 1.037 357 V CB 0.778 32.489 31.823 -0.187 0.000 1.060 357 V HN 0.719 nan 8.190 nan 0.000 0.437 358 P HA 0.172 nan 4.420 nan 0.000 0.265 358 P C 1.132 178.397 177.300 -0.059 0.000 1.187 358 P CA 0.168 63.231 63.100 -0.060 0.000 0.766 358 P CB 0.790 32.461 31.700 -0.049 0.000 0.820 359 V N 3.175 123.055 119.914 -0.058 0.000 2.317 359 V HA -0.341 3.779 4.120 0.000 0.000 0.251 359 V C 2.297 178.355 176.094 -0.061 0.000 1.065 359 V CA 2.736 64.999 62.300 -0.061 0.000 1.049 359 V CB -1.534 30.246 31.823 -0.072 0.000 0.651 359 V HN 0.715 nan 8.190 nan 0.000 0.450 360 A N -0.560 122.226 122.820 -0.057 0.000 2.070 360 A HA 0.036 4.356 4.320 0.000 0.000 0.220 360 A C 2.124 179.683 177.584 -0.042 0.000 1.159 360 A CA 1.719 53.724 52.037 -0.053 0.000 0.656 360 A CB -0.435 18.536 19.000 -0.047 0.000 0.800 360 A HN 0.642 nan 8.150 nan 0.000 0.453 361 A N -0.932 121.868 122.820 -0.033 0.000 2.308 361 A HA 0.421 4.741 4.320 0.000 0.000 0.217 361 A C 1.733 179.328 177.584 0.017 0.000 1.216 361 A CA 0.580 52.611 52.037 -0.011 0.000 0.864 361 A CB -0.295 18.700 19.000 -0.007 0.000 0.902 361 A HN 0.221 nan 8.150 nan 0.000 0.499 362 V N 0.982 120.894 119.914 -0.004 0.000 2.332 362 V HA -0.157 3.963 4.120 0.000 0.000 0.248 362 V C -0.244 175.876 176.094 0.043 0.000 1.055 362 V CA 2.603 64.921 62.300 0.030 0.000 1.038 362 V CB -1.194 30.626 31.823 -0.005 0.000 0.651 362 V HN 0.388 nan 8.190 nan 0.000 0.450 363 P HA -0.137 nan 4.420 nan 0.000 0.217 363 P C 1.736 179.008 177.300 -0.048 0.000 1.151 363 P CA 1.256 64.303 63.100 -0.088 0.000 0.828 363 P CB -0.039 31.591 31.700 -0.117 0.000 0.788 364 Q N -1.814 117.977 119.800 -0.014 0.000 2.119 364 Q HA -0.157 4.183 4.340 0.000 0.000 0.201 364 Q C 2.001 177.995 176.000 -0.009 0.000 0.972 364 Q CA 1.093 56.887 55.803 -0.014 0.000 0.847 364 Q CB -0.690 28.047 28.738 -0.001 0.000 0.903 364 Q HN 0.234 nan 8.270 nan 0.000 0.433 365 F N 1.375 121.272 119.950 -0.087 0.000 2.075 365 F HA -0.200 4.327 4.527 0.000 0.000 0.297 365 F C 1.849 177.570 175.800 -0.132 0.000 1.113 365 F CA 1.313 59.243 58.000 -0.116 0.000 1.218 365 F CB -0.189 38.741 39.000 -0.118 0.000 0.984 365 F HN -0.066 nan 8.300 nan 0.000 0.472 366 I N 0.303 120.776 120.570 -0.162 0.000 2.163 366 I HA -0.275 3.895 4.170 0.000 0.000 0.243 366 I C 2.621 178.639 176.117 -0.165 0.000 1.085 366 I CA 1.719 62.924 61.300 -0.159 0.000 1.347 366 I CB -0.682 37.377 38.000 0.098 0.000 1.044 366 I HN 0.258 nan 8.210 nan 0.000 0.408 367 E N 1.095 121.229 120.200 -0.111 0.000 2.038 367 E HA -0.266 4.084 4.350 0.000 0.000 0.195 367 E C 2.127 178.655 176.600 -0.121 0.000 1.000 367 E CA 1.779 58.138 56.400 -0.068 0.000 0.803 367 E CB -0.102 29.566 29.700 -0.053 0.000 0.750 367 E HN 0.566 nan 8.360 nan 0.000 0.448 368 Q N -0.265 119.421 119.800 -0.191 0.000 2.079 368 Q HA -0.065 4.275 4.340 0.000 0.000 0.200 368 Q C 2.182 178.014 176.000 -0.280 0.000 0.974 368 Q CA 1.385 57.070 55.803 -0.197 0.000 0.840 368 Q CB -0.143 28.492 28.738 -0.170 0.000 0.898 368 Q HN 0.306 nan 8.270 nan 0.000 0.430 369 A N 1.394 123.891 122.820 -0.539 0.000 1.898 369 A HA -0.204 4.116 4.320 0.000 0.000 0.216 369 A C 1.756 179.198 177.584 -0.237 0.000 1.181 369 A CA 1.456 53.123 52.037 -0.617 0.000 0.620 369 A CB -0.500 17.617 19.000 -1.472 0.000 0.819 369 A HN 0.264 nan 8.150 nan 0.000 0.442 370 N N 0.753 119.386 118.700 -0.113 0.000 2.036 370 N HA -0.174 4.566 4.740 0.000 0.000 0.195 370 N C 1.895 177.413 175.510 0.012 0.000 1.037 370 N CA 1.900 54.990 53.050 0.066 0.000 0.855 370 N CB -0.682 37.861 38.487 0.093 0.000 1.033 370 N HN 0.468 nan 8.380 nan 0.000 0.423 371 A N 0.726 123.526 122.820 -0.033 0.000 1.865 371 A HA -0.014 4.306 4.320 0.000 0.000 0.217 371 A C 2.354 179.920 177.584 -0.029 0.000 1.191 371 A CA 2.294 54.316 52.037 -0.025 0.000 0.623 371 A CB -1.114 17.864 19.000 -0.037 0.000 0.826 371 A HN 0.344 nan 8.150 nan 0.000 0.444 372 A N -0.748 122.037 122.820 -0.058 0.000 1.902 372 A HA 0.001 4.321 4.320 0.000 0.000 0.217 372 A C 2.236 179.802 177.584 -0.031 0.000 1.181 372 A CA 1.831 53.836 52.037 -0.054 0.000 0.623 372 A CB -0.923 18.025 19.000 -0.087 0.000 0.818 372 A HN 0.412 nan 8.150 nan 0.000 0.443 373 V N -0.522 119.384 119.914 -0.013 0.000 2.358 373 V HA -0.198 3.922 4.120 0.000 0.000 0.246 373 V C 2.519 178.636 176.094 0.039 0.000 1.047 373 V CA 1.894 64.210 62.300 0.028 0.000 1.035 373 V CB -0.572 31.309 31.823 0.097 0.000 0.658 373 V HN 0.367 nan 8.190 nan 0.000 0.452 374 V N 0.194 120.129 119.914 0.035 0.000 2.548 374 V HA -0.165 3.955 4.120 0.000 0.000 0.249 374 V C 2.615 178.724 176.094 0.024 0.000 1.055 374 V CA 1.662 63.983 62.300 0.034 0.000 1.065 374 V CB -0.814 31.026 31.823 0.029 0.000 0.681 374 V HN 0.549 nan 8.190 nan 0.000 0.462 375 A N -0.296 122.531 122.820 0.012 0.000 1.930 375 A HA -0.151 4.169 4.320 0.000 0.000 0.217 375 A C 2.123 179.714 177.584 0.011 0.000 1.175 375 A CA 1.812 53.854 52.037 0.007 0.000 0.627 375 A CB -0.414 18.583 19.000 -0.004 0.000 0.815 375 A HN 0.447 nan 8.150 nan 0.000 0.443 376 L N -0.568 120.661 121.223 0.010 0.000 2.044 376 L HA 0.186 4.527 4.340 0.000 0.000 0.205 376 L C 0.454 177.342 176.870 0.031 0.000 1.075 376 L CA 1.616 56.463 54.840 0.011 0.000 0.747 376 L CB -0.033 42.023 42.059 -0.005 0.000 0.903 376 L HN 0.344 nan 8.230 nan 0.000 0.435 377 I N 0.459 121.061 120.570 0.053 0.000 2.537 377 I HA 0.293 4.463 4.170 0.000 0.000 0.276 377 I C -2.349 173.813 176.117 0.076 0.000 1.063 377 I CA -1.888 59.465 61.300 0.087 0.000 1.144 377 I CB 1.082 39.179 38.000 0.161 0.000 1.252 377 I HN -0.027 nan 8.210 nan 0.000 0.480 378 P HA 0.102 nan 4.420 nan 0.000 0.265 378 P C 1.039 178.360 177.300 0.036 0.000 1.193 378 P CA 0.748 63.870 63.100 0.038 0.000 0.765 378 P CB 0.752 32.469 31.700 0.028 0.000 0.823 379 G N 1.455 110.269 108.800 0.024 0.000 2.176 379 G HA2 -0.192 3.768 3.960 0.000 0.000 0.253 379 G HA3 -0.192 3.768 3.960 0.000 0.000 0.253 379 G C 0.470 175.370 174.900 0.001 0.000 0.979 379 G CA 0.004 45.110 45.100 0.009 0.000 0.641 379 G HN 0.849 nan 8.290 nan 0.000 0.530 380 A N -0.025 122.813 122.820 0.030 0.000 2.445 380 A HA 0.682 5.002 4.320 0.000 0.000 0.242 380 A C 0.717 178.308 177.584 0.011 0.000 1.075 380 A CA 0.390 52.448 52.037 0.034 0.000 0.777 380 A CB 0.250 19.335 19.000 0.141 0.000 1.013 380 A HN 0.536 nan 8.150 nan 0.000 0.493 381 R N 2.118 122.612 120.500 -0.010 0.000 2.310 381 R HA 0.345 4.685 4.340 0.000 0.000 0.316 381 R C -2.892 173.385 176.300 -0.039 0.000 1.004 381 R CA -1.665 54.426 56.100 -0.016 0.000 0.900 381 R CB 1.305 31.612 30.300 0.012 0.000 1.152 381 R HN 0.449 nan 8.270 nan 0.000 0.513 382 P HA 0.006 nan 4.420 nan 0.000 0.268 382 P C -0.564 176.631 177.300 -0.174 0.000 1.204 382 P CA -0.143 62.872 63.100 -0.142 0.000 0.768 382 P CB 0.863 32.530 31.700 -0.056 0.000 0.842 383 V N 5.597 125.386 119.914 -0.209 0.000 2.380 383 V HA 0.311 4.431 4.120 0.000 0.000 0.268 383 V C -2.312 173.799 176.094 0.028 0.000 1.008 383 V CA -1.429 60.803 62.300 -0.113 0.000 0.823 383 V CB 1.430 33.218 31.823 -0.059 0.000 1.053 383 V HN 0.542 nan 8.190 nan 0.000 0.446 384 P HA 0.738 nan 4.420 nan 0.000 0.305 384 P C -1.236 176.329 177.300 0.443 0.000 1.378 384 P CA -0.541 62.703 63.100 0.240 0.000 0.926 384 P CB 1.758 33.695 31.700 0.396 0.000 1.051 385 F N -0.116 119.943 119.950 0.183 0.000 2.668 385 F HA 0.914 5.441 4.527 0.000 0.000 0.309 385 F C -0.395 175.476 175.800 0.117 0.000 1.117 385 F CA -0.903 57.184 58.000 0.146 0.000 0.951 385 F CB 1.255 40.281 39.000 0.043 0.000 1.323 385 F HN 0.715 nan 8.300 nan 0.000 0.451 386 G N -0.063 108.825 108.800 0.147 0.000 2.317 386 G HA2 0.323 4.284 3.960 0.000 0.000 0.293 386 G HA3 0.323 4.284 3.960 0.000 0.000 0.293 386 G C -2.380 172.514 174.900 -0.010 0.000 1.287 386 G CA -1.108 43.927 45.100 -0.107 0.000 0.850 386 G HN 0.982 nan 8.290 nan 0.000 0.515 387 H N 1.436 120.616 119.070 0.184 0.000 2.908 387 H HA 0.292 4.848 4.556 0.000 0.000 0.269 387 H C 1.365 176.767 175.328 0.124 0.000 1.303 387 H CA -0.594 55.551 56.048 0.163 0.000 1.341 387 H CB 1.230 31.073 29.762 0.134 0.000 1.519 387 H HN 0.310 nan 8.280 nan 0.000 0.505 388 L N 3.099 124.471 121.223 0.247 0.000 2.131 388 L HA -0.027 4.313 4.340 0.000 0.000 0.210 388 L C 2.240 179.136 176.870 0.043 0.000 1.092 388 L CA 1.788 56.715 54.840 0.145 0.000 0.759 388 L CB -0.696 41.490 42.059 0.212 0.000 0.903 388 L HN 0.710 nan 8.230 nan 0.000 0.435 389 G N -0.867 107.966 108.800 0.055 0.000 2.471 389 G HA2 -0.241 3.719 3.960 0.000 0.000 0.219 389 G HA3 -0.241 3.719 3.960 0.000 0.000 0.219 389 G C 0.876 175.766 174.900 -0.016 0.000 1.125 389 G CA 0.876 45.951 45.100 -0.043 0.000 0.775 389 G HN 0.642 nan 8.290 nan 0.000 0.548 390 D N -2.539 117.885 120.400 0.041 0.000 2.469 390 D HA 0.265 4.905 4.640 0.000 0.000 0.215 390 D C 1.543 177.851 176.300 0.014 0.000 1.154 390 D CA 0.337 54.352 54.000 0.024 0.000 0.832 390 D CB -0.372 40.453 40.800 0.042 0.000 1.008 390 D HN 0.306 nan 8.370 nan 0.000 0.506 391 G N 0.747 109.553 108.800 0.011 0.000 2.155 391 G HA2 -0.345 3.615 3.960 0.000 0.000 0.257 391 G HA3 -0.345 3.615 3.960 0.000 0.000 0.257 391 G C 0.013 174.878 174.900 -0.059 0.000 0.983 391 G CA 0.172 45.253 45.100 -0.031 0.000 0.676 391 G HN 0.622 nan 8.290 nan 0.000 0.528 392 N N 0.579 119.273 118.700 -0.010 0.000 2.420 392 N HA 0.487 5.227 4.740 0.000 0.000 0.249 392 N C -0.100 175.342 175.510 -0.113 0.000 1.033 392 N CA -0.694 52.318 53.050 -0.064 0.000 0.944 392 N CB 0.252 38.757 38.487 0.031 0.000 1.113 392 N HN 0.102 nan 8.380 nan 0.000 0.502 393 I N 3.572 124.051 120.570 -0.151 0.000 2.404 393 I HA 0.158 4.328 4.170 0.000 0.000 0.293 393 I C 0.269 176.313 176.117 -0.122 0.000 0.992 393 I CA -0.638 60.613 61.300 -0.082 0.000 1.149 393 I CB 1.117 39.138 38.000 0.036 0.000 1.315 393 I HN 0.461 nan 8.210 nan 0.000 0.446 394 H N 6.424 125.282 119.070 -0.353 0.000 3.004 394 H HA 0.055 4.611 4.556 0.000 0.000 0.267 394 H C -1.050 174.133 175.328 -0.242 0.000 1.165 394 H CA 0.006 55.807 56.048 -0.412 0.000 1.450 394 H CB 0.493 29.673 29.762 -0.969 0.000 1.488 394 H HN 0.415 nan 8.280 nan 0.000 0.478 395 Y N 5.234 125.540 120.300 0.010 0.000 2.700 395 Y HA 0.130 4.680 4.550 0.000 0.000 0.333 395 Y C -0.660 175.316 175.900 0.126 0.000 1.036 395 Y CA -0.974 57.208 58.100 0.137 0.000 1.287 395 Y CB -0.212 38.444 38.460 0.327 0.000 1.132 395 Y HN 0.510 nan 8.280 nan 0.000 0.510 396 N N 3.029 121.578 118.700 -0.252 0.000 2.472 396 N HA 0.589 5.329 4.740 0.000 0.000 0.289 396 N C -1.423 173.920 175.510 -0.278 0.000 1.156 396 N CA -0.592 52.363 53.050 -0.158 0.000 0.940 396 N CB 2.151 40.665 38.487 0.045 0.000 1.200 396 N HN 0.222 nan 8.380 nan 0.000 0.511 397 V N 0.497 120.342 119.914 -0.114 0.000 2.525 397 V HA 0.385 4.505 4.120 0.000 0.000 0.299 397 V C -0.211 175.968 176.094 0.143 0.000 1.034 397 V CA -0.735 61.557 62.300 -0.012 0.000 0.863 397 V CB 1.561 33.423 31.823 0.066 0.000 0.999 397 V HN 0.583 nan 8.190 nan 0.000 0.423 398 S N 3.442 119.182 115.700 0.068 0.000 2.616 398 S HA 0.435 4.905 4.470 0.000 0.000 0.277 398 S C -0.037 174.335 174.600 -0.381 0.000 1.234 398 S CA -0.685 57.503 58.200 -0.021 0.000 1.028 398 S CB 1.319 64.584 63.200 0.109 0.000 0.988 398 S HN 0.896 nan 8.310 nan 0.000 0.522 399 Q N 1.357 120.598 119.800 -0.932 0.000 2.479 399 Q HA 0.226 4.566 4.340 0.000 0.000 0.267 399 Q C -2.656 172.985 176.000 -0.599 0.000 1.071 399 Q CA -1.175 53.708 55.803 -1.534 0.000 0.935 399 Q CB -0.673 27.357 28.738 -1.181 0.000 1.295 399 Q HN 0.187 nan 8.270 nan 0.000 0.476 400 P HA -0.015 nan 4.420 nan 0.000 0.269 400 P C -0.801 176.410 177.300 -0.147 0.000 1.215 400 P CA -0.366 62.630 63.100 -0.173 0.000 0.780 400 P CB 0.482 32.132 31.700 -0.083 0.000 0.898 401 V N 2.489 122.350 119.914 -0.088 0.000 2.540 401 V HA 0.235 4.355 4.120 0.000 0.000 0.297 401 V C 1.737 177.794 176.094 -0.061 0.000 1.024 401 V CA 1.903 64.160 62.300 -0.073 0.000 1.105 401 V CB -0.586 31.211 31.823 -0.044 0.000 0.938 401 V HN 1.047 nan 8.190 nan 0.000 0.482 402 G N 3.647 112.410 108.800 -0.063 0.000 2.268 402 G HA2 -0.159 3.801 3.960 0.000 0.000 0.240 402 G HA3 -0.159 3.801 3.960 0.000 0.000 0.240 402 G C 0.538 175.417 174.900 -0.036 0.000 1.010 402 G CA 0.229 45.302 45.100 -0.043 0.000 0.618 402 G HN 1.543 nan 8.290 nan 0.000 0.516 403 A N 0.473 123.265 122.820 -0.046 0.000 2.466 403 A HA 0.485 4.805 4.320 0.000 0.000 0.238 403 A C 0.219 177.801 177.584 -0.003 0.000 1.074 403 A CA 0.445 52.471 52.037 -0.018 0.000 0.774 403 A CB 0.201 19.189 19.000 -0.020 0.000 1.015 403 A HN 0.294 nan 8.150 nan 0.000 0.498 404 D N 1.183 121.602 120.400 0.031 0.000 2.371 404 D HA 0.083 4.723 4.640 0.000 0.000 0.256 404 D C 1.115 177.465 176.300 0.084 0.000 1.193 404 D CA 0.106 54.132 54.000 0.043 0.000 0.881 404 D CB 1.273 42.099 40.800 0.045 0.000 1.143 404 D HN 0.666 nan 8.370 nan 0.000 0.473 405 K N 2.626 123.068 120.400 0.070 0.000 2.001 405 K HA -0.264 4.056 4.320 0.000 0.000 0.214 405 K C 1.736 178.439 176.600 0.171 0.000 1.050 405 K CA 1.659 58.017 56.287 0.117 0.000 0.934 405 K CB -0.035 32.508 32.500 0.071 0.000 0.718 405 K HN 0.413 nan 8.250 nan 0.000 0.443 406 A N 1.020 123.908 122.820 0.112 0.000 1.940 406 A HA -0.254 4.066 4.320 0.000 0.000 0.219 406 A C 2.034 179.682 177.584 0.106 0.000 1.176 406 A CA 2.043 54.139 52.037 0.097 0.000 0.631 406 A CB -0.637 18.399 19.000 0.060 0.000 0.814 406 A HN 0.644 nan 8.150 nan 0.000 0.446 407 E N -1.633 118.635 120.200 0.114 0.000 2.106 407 E HA -0.166 4.184 4.350 0.000 0.000 0.192 407 E C 1.706 178.393 176.600 0.145 0.000 0.984 407 E CA 1.161 57.626 56.400 0.108 0.000 0.806 407 E CB -0.206 29.553 29.700 0.098 0.000 0.750 407 E HN 0.652 nan 8.360 nan 0.000 0.458 408 F N 0.989 120.968 119.950 0.049 0.000 2.128 408 F HA -0.075 4.452 4.527 0.000 0.000 0.295 408 F C 1.829 177.682 175.800 0.088 0.000 1.100 408 F CA 1.140 59.172 58.000 0.054 0.000 1.260 408 F CB -0.211 38.813 39.000 0.039 0.000 1.009 408 F HN -0.036 nan 8.300 nan 0.000 0.476 409 L N 0.266 121.548 121.223 0.099 0.000 2.187 409 L HA -0.212 4.128 4.340 0.000 0.000 0.213 409 L C 2.630 179.540 176.870 0.067 0.000 1.100 409 L CA 1.000 55.890 54.840 0.082 0.000 0.765 409 L CB -1.109 41.075 42.059 0.209 0.000 0.904 409 L HN 0.299 nan 8.230 nan 0.000 0.437 410 A N -0.489 122.354 122.820 0.038 0.000 2.172 410 A HA -0.113 4.207 4.320 0.000 0.000 0.216 410 A C 1.971 179.578 177.584 0.039 0.000 1.154 410 A CA 0.930 52.994 52.037 0.044 0.000 0.701 410 A CB -0.267 18.757 19.000 0.039 0.000 0.789 410 A HN 0.256 nan 8.150 nan 0.000 0.465 411 R N -1.201 119.269 120.500 -0.051 0.000 2.320 411 R HA -0.019 4.321 4.340 0.000 0.000 0.211 411 R C 1.393 177.679 176.300 -0.023 0.000 0.931 411 R CA -0.345 55.714 56.100 -0.067 0.000 1.071 411 R CB -0.703 29.487 30.300 -0.184 0.000 1.025 411 R HN 0.826 nan 8.270 nan 0.000 0.495 412 W N 1.925 123.141 121.300 -0.139 0.000 2.302 412 W HA -0.298 4.362 4.660 0.000 0.000 0.320 412 W C 1.934 178.463 176.519 0.018 0.000 1.241 412 W CA 1.958 59.259 57.345 -0.072 0.000 1.264 412 W CB -0.595 28.837 29.460 -0.048 0.000 1.154 412 W HN 0.325 nan 8.180 nan 0.000 0.483 413 H N 0.254 119.501 119.070 0.295 0.000 2.321 413 H HA -0.156 4.400 4.556 0.000 0.000 0.300 413 H C 1.676 177.054 175.328 0.083 0.000 1.087 413 H CA 2.143 58.311 56.048 0.200 0.000 1.319 413 H CB -0.373 29.469 29.762 0.133 0.000 1.379 413 H HN 0.014 nan 8.280 nan 0.000 0.501 414 D N 0.282 120.669 120.400 -0.023 0.000 2.149 414 D HA -0.119 4.521 4.640 0.000 0.000 0.198 414 D C 2.453 178.654 176.300 -0.165 0.000 0.990 414 D CA 0.896 54.830 54.000 -0.111 0.000 0.839 414 D CB -0.150 40.641 40.800 -0.014 0.000 0.948 414 D HN 0.253 nan 8.370 nan 0.000 0.460 415 V N 0.688 120.513 119.914 -0.148 0.000 2.453 415 V HA -0.179 3.941 4.120 0.000 0.000 0.247 415 V C 2.489 178.378 176.094 -0.341 0.000 1.048 415 V CA 1.376 63.564 62.300 -0.187 0.000 1.049 415 V CB -0.447 31.273 31.823 -0.172 0.000 0.672 415 V HN 0.126 nan 8.190 nan 0.000 0.457 416 S N -0.436 115.038 115.700 -0.377 0.000 2.353 416 S HA -0.307 4.163 4.470 0.000 0.000 0.222 416 S C 2.002 176.186 174.600 -0.693 0.000 1.035 416 S CA 1.784 59.507 58.200 -0.795 0.000 1.025 416 S CB -0.368 62.605 63.200 -0.379 0.000 0.902 416 S HN 0.644 nan 8.310 nan 0.000 0.440 417 Q N 0.228 119.788 119.800 -0.399 0.000 2.096 417 Q HA -0.149 4.191 4.340 0.000 0.000 0.208 417 Q C 2.322 178.228 176.000 -0.156 0.000 0.993 417 Q CA 1.749 57.425 55.803 -0.213 0.000 0.862 417 Q CB -0.458 28.155 28.738 -0.209 0.000 0.915 417 Q HN 0.381 nan 8.270 nan 0.000 0.416 418 V N -0.125 119.672 119.914 -0.195 0.000 2.307 418 V HA -0.219 3.901 4.120 0.000 0.000 0.245 418 V C 2.219 178.211 176.094 -0.169 0.000 1.045 418 V CA 1.463 63.675 62.300 -0.148 0.000 1.024 418 V CB -0.451 31.292 31.823 -0.133 0.000 0.651 418 V HN 0.193 nan 8.190 nan 0.000 0.449 419 V N -0.566 119.172 119.914 -0.292 0.000 2.343 419 V HA -0.215 3.905 4.120 0.000 0.000 0.247 419 V C 2.253 178.312 176.094 -0.058 0.000 1.051 419 V CA 1.952 64.091 62.300 -0.268 0.000 1.036 419 V CB -0.765 30.785 31.823 -0.455 0.000 0.654 419 V HN 0.444 nan 8.190 nan 0.000 0.451 420 F N 0.537 120.416 119.950 -0.118 0.000 2.365 420 F HA -0.056 4.471 4.527 0.000 0.000 0.300 420 F C 2.354 178.129 175.800 -0.041 0.000 1.090 420 F CA 1.276 59.235 58.000 -0.067 0.000 1.408 420 F CB -0.777 38.189 39.000 -0.058 0.000 1.060 420 F HN 0.258 nan 8.300 nan 0.000 0.534 421 E N 0.530 120.800 120.200 0.117 0.000 2.152 421 E HA -0.084 4.266 4.350 0.000 0.000 0.192 421 E C 2.093 178.721 176.600 0.048 0.000 0.983 421 E CA 0.882 57.318 56.400 0.060 0.000 0.818 421 E CB -0.287 29.422 29.700 0.017 0.000 0.758 421 E HN 0.151 nan 8.360 nan 0.000 0.467 422 V N -0.278 119.664 119.914 0.047 0.000 2.323 422 V HA -0.182 3.938 4.120 0.000 0.000 0.244 422 V C 2.375 178.559 176.094 0.150 0.000 1.041 422 V CA 1.370 63.706 62.300 0.060 0.000 1.025 422 V CB -0.406 31.403 31.823 -0.023 0.000 0.656 422 V HN 0.153 nan 8.190 nan 0.000 0.451 423 V N 0.148 120.179 119.914 0.194 0.000 2.255 423 V HA -0.282 3.838 4.120 0.000 0.000 0.247 423 V C 2.466 178.582 176.094 0.037 0.000 1.051 423 V CA 2.345 64.703 62.300 0.097 0.000 1.018 423 V CB -0.705 31.160 31.823 0.070 0.000 0.641 423 V HN 0.552 nan 8.190 nan 0.000 0.445 424 L N 1.548 122.796 121.223 0.042 0.000 2.021 424 L HA -0.248 4.092 4.340 0.000 0.000 0.215 424 L C 2.708 179.581 176.870 0.006 0.000 1.074 424 L CA 2.647 57.492 54.840 0.009 0.000 0.760 424 L CB -0.829 41.240 42.059 0.016 0.000 0.889 424 L HN 0.503 nan 8.230 nan 0.000 0.433 425 R N -0.527 119.984 120.500 0.018 0.000 2.189 425 R HA -0.073 4.267 4.340 0.000 0.000 0.223 425 R C 1.650 177.954 176.300 0.007 0.000 1.092 425 R CA 1.512 57.617 56.100 0.009 0.000 0.989 425 R CB -0.706 29.599 30.300 0.009 0.000 0.876 425 R HN 0.490 nan 8.270 nan 0.000 0.457 426 L N 0.736 121.968 121.223 0.015 0.000 2.628 426 L HA 0.311 4.651 4.340 0.000 0.000 0.229 426 L C 0.683 177.544 176.870 -0.016 0.000 1.137 426 L CA 0.367 55.211 54.840 0.007 0.000 0.909 426 L CB 0.423 42.502 42.059 0.034 0.000 1.137 426 L HN 0.605 nan 8.230 nan 0.000 0.470 427 G N 0.363 109.150 108.800 -0.022 0.000 2.160 427 G HA2 -0.220 3.740 3.960 0.000 0.000 0.244 427 G HA3 -0.220 3.740 3.960 0.000 0.000 0.244 427 G C 0.476 175.345 174.900 -0.052 0.000 1.022 427 G CA 0.022 45.101 45.100 -0.035 0.000 0.741 427 G HN 0.503 nan 8.290 nan 0.000 0.508 428 G N -0.934 107.828 108.800 -0.062 0.000 2.531 428 G HA2 0.716 4.676 3.960 0.000 0.000 0.281 428 G HA3 0.716 4.676 3.960 0.000 0.000 0.281 428 G C 0.108 174.950 174.900 -0.098 0.000 1.382 428 G CA 0.565 45.607 45.100 -0.096 0.000 1.045 428 G HN 1.364 nan 8.290 nan 0.000 0.533 429 S N -1.483 114.146 115.700 -0.119 0.000 2.513 429 S HA 0.317 4.787 4.470 0.000 0.000 0.299 429 S C 1.228 175.745 174.600 -0.138 0.000 1.087 429 S CA -0.597 57.529 58.200 -0.123 0.000 1.012 429 S CB 1.259 64.396 63.200 -0.105 0.000 1.044 429 S HN 0.804 nan 8.310 nan 0.000 0.485 430 I N 1.882 122.323 120.570 -0.215 0.000 3.001 430 I HA 0.304 4.474 4.170 0.000 0.000 0.268 430 I C 0.628 176.682 176.117 -0.105 0.000 1.267 430 I CA 0.323 61.421 61.300 -0.336 0.000 1.472 430 I CB 0.107 37.570 38.000 -0.896 0.000 1.089 430 I HN 0.398 nan 8.210 nan 0.000 0.468 431 S N 0.443 116.093 115.700 -0.082 0.000 2.673 431 S HA 0.701 5.171 4.470 0.000 0.000 0.256 431 S C 0.467 175.026 174.600 -0.067 0.000 1.141 431 S CA -0.137 58.046 58.200 -0.028 0.000 1.109 431 S CB 1.384 64.586 63.200 0.003 0.000 1.101 431 S HN 0.353 nan 8.310 nan 0.000 0.471 432 A N 3.687 126.442 122.820 -0.108 0.000 1.975 432 A HA 0.255 4.576 4.320 0.000 0.000 0.215 432 A C 1.501 179.021 177.584 -0.108 0.000 1.170 432 A CA 0.860 52.828 52.037 -0.115 0.000 0.656 432 A CB -0.047 18.868 19.000 -0.142 0.000 0.821 432 A HN 0.773 nan 8.150 nan 0.000 0.449 433 E N -2.434 117.661 120.200 -0.175 0.000 2.940 433 E HA 0.088 4.438 4.350 0.000 0.000 0.203 433 E C 1.595 178.178 176.600 -0.029 0.000 0.995 433 E CA 0.110 56.432 56.400 -0.130 0.000 1.396 433 E CB -0.006 29.567 29.700 -0.211 0.000 1.310 433 E HN 0.740 nan 8.360 nan 0.000 0.613 434 H N 0.810 119.909 119.070 0.048 0.000 2.421 434 H HA 0.070 4.626 4.556 0.000 0.000 0.298 434 H C 1.091 176.454 175.328 0.057 0.000 1.087 434 H CA 0.575 56.663 56.048 0.066 0.000 1.330 434 H CB 0.226 30.040 29.762 0.086 0.000 1.388 434 H HN 0.270 nan 8.280 nan 0.000 0.526 435 G N -0.145 108.738 108.800 0.139 0.000 2.526 435 G HA2 -0.197 3.763 3.960 0.000 0.000 0.250 435 G HA3 -0.197 3.763 3.960 0.000 0.000 0.250 435 G C 0.089 175.038 174.900 0.081 0.000 1.289 435 G CA -0.183 44.969 45.100 0.086 0.000 0.947 435 G HN 0.073 nan 8.290 nan 0.000 0.517 436 I N 1.300 121.901 120.570 0.052 0.000 2.899 436 I HA 0.293 4.463 4.170 0.000 0.000 0.257 436 I C 2.662 178.802 176.117 0.038 0.000 1.115 436 I CA 2.365 63.689 61.300 0.040 0.000 1.451 436 I CB -1.635 36.372 38.000 0.012 0.000 1.251 436 I HN 2.081 nan 8.210 nan 0.000 0.456 437 G N 2.000 110.813 108.800 0.022 0.000 2.652 437 G HA2 -0.292 3.668 3.960 0.000 0.000 0.318 437 G HA3 -0.292 3.668 3.960 0.000 0.000 0.318 437 G C 0.353 175.233 174.900 -0.034 0.000 1.295 437 G CA 0.557 45.655 45.100 -0.003 0.000 0.999 437 G HN 0.217 nan 8.290 nan 0.000 0.548 441 R N 1.764 122.283 120.500 0.032 0.000 2.083 441 R HA -0.144 4.196 4.340 0.000 0.000 0.237 441 R C 1.131 177.437 176.300 0.010 0.000 1.137 441 R CA 2.223 58.328 56.100 0.008 0.000 0.951 441 R CB 0.099 30.395 30.300 -0.007 0.000 0.851 441 R HN 0.114 nan 8.270 nan 0.000 0.434 442 D N -0.046 120.370 120.400 0.027 0.000 2.117 442 D HA -0.160 4.480 4.640 0.000 0.000 0.198 442 D C 1.780 178.099 176.300 0.031 0.000 0.982 442 D CA 1.171 55.190 54.000 0.031 0.000 0.828 442 D CB -0.167 40.660 40.800 0.046 0.000 0.967 442 D HN 0.264 nan 8.370 nan 0.000 0.464 443 E N 0.606 120.831 120.200 0.042 0.000 2.204 443 E HA -0.136 4.214 4.350 0.000 0.000 0.195 443 E C 1.964 178.535 176.600 -0.048 0.000 0.990 443 E CA 0.298 56.705 56.400 0.011 0.000 0.821 443 E CB -0.291 29.414 29.700 0.009 0.000 0.750 443 E HN 0.127 nan 8.360 nan 0.000 0.477 444 L N 0.149 121.348 121.223 -0.042 0.000 2.046 444 L HA -0.032 4.308 4.340 0.000 0.000 0.208 444 L C 2.149 178.996 176.870 -0.040 0.000 1.077 444 L CA 2.218 57.027 54.840 -0.053 0.000 0.747 444 L CB -0.937 41.100 42.059 -0.037 0.000 0.896 444 L HN 0.167 nan 8.230 nan 0.000 0.432 445 A N -0.930 121.876 122.820 -0.022 0.000 2.019 445 A HA -0.190 4.130 4.320 0.000 0.000 0.219 445 A C 2.117 179.692 177.584 -0.015 0.000 1.164 445 A CA 1.746 53.773 52.037 -0.016 0.000 0.644 445 A CB -0.514 18.482 19.000 -0.007 0.000 0.805 445 A HN 0.656 nan 8.150 nan 0.000 0.449 446 E N -0.335 119.858 120.200 -0.013 0.000 2.076 446 E HA -0.079 4.271 4.350 0.000 0.000 0.190 446 E C 2.048 178.635 176.600 -0.023 0.000 0.979 446 E CA 1.372 57.767 56.400 -0.008 0.000 0.807 446 E CB -0.254 29.451 29.700 0.008 0.000 0.761 446 E HN 0.614 nan 8.360 nan 0.000 0.454 447 V N -0.357 119.531 119.914 -0.045 0.000 2.725 447 V HA 0.066 4.186 4.120 0.000 0.000 0.247 447 V C 0.980 177.041 176.094 -0.055 0.000 1.058 447 V CA 0.257 62.521 62.300 -0.059 0.000 1.080 447 V CB -0.232 31.528 31.823 -0.106 0.000 0.713 447 V HN -0.097 nan 8.190 nan 0.000 0.465 448 K N 2.139 122.507 120.400 -0.052 0.000 2.295 448 K HA 0.161 4.481 4.320 0.000 0.000 0.270 448 K C -0.133 176.444 176.600 -0.037 0.000 1.011 448 K CA -0.002 56.257 56.287 -0.048 0.000 0.953 448 K CB 0.431 32.904 32.500 -0.046 0.000 0.956 448 K HN 0.530 nan 8.250 nan 0.000 0.477 449 D N 2.368 122.746 120.400 -0.037 0.000 2.586 449 D HA -0.100 4.540 4.640 0.000 0.000 0.234 449 D C 0.915 177.198 176.300 -0.029 0.000 1.132 449 D CA 0.743 54.724 54.000 -0.032 0.000 0.860 449 D CB 0.664 41.444 40.800 -0.033 0.000 1.159 449 D HN 0.543 nan 8.370 nan 0.000 0.490 450 K N 1.968 122.353 120.400 -0.025 0.000 2.044 450 K HA -0.220 4.100 4.320 0.000 0.000 0.210 450 K C 1.542 178.128 176.600 -0.024 0.000 1.049 450 K CA 1.835 58.108 56.287 -0.022 0.000 0.927 450 K CB -0.042 32.447 32.500 -0.018 0.000 0.713 450 K HN 0.516 nan 8.250 nan 0.000 0.443 451 T N 0.598 115.136 114.554 -0.025 0.000 2.788 451 T HA -0.099 4.251 4.350 0.000 0.000 0.268 451 T C 1.832 176.512 174.700 -0.033 0.000 1.044 451 T CA 1.184 63.267 62.100 -0.028 0.000 1.139 451 T CB -0.303 68.548 68.868 -0.028 0.000 0.867 451 T HN 0.442 nan 8.240 nan 0.000 0.454 452 A N 1.153 123.952 122.820 -0.035 0.000 1.883 452 A HA -0.079 4.241 4.320 0.000 0.000 0.217 452 A C 2.249 179.810 177.584 -0.039 0.000 1.186 452 A CA 1.368 53.381 52.037 -0.040 0.000 0.624 452 A CB -0.802 18.174 19.000 -0.040 0.000 0.822 452 A HN 0.420 nan 8.150 nan 0.000 0.444 453 I N 0.129 120.678 120.570 -0.034 0.000 2.226 453 I HA -0.218 3.952 4.170 0.000 0.000 0.245 453 I C 2.267 178.366 176.117 -0.030 0.000 1.100 453 I CA 1.871 63.152 61.300 -0.032 0.000 1.374 453 I CB -0.361 37.623 38.000 -0.027 0.000 1.057 453 I HN 0.464 nan 8.210 nan 0.000 0.413 454 E N -0.031 120.152 120.200 -0.028 0.000 2.085 454 E HA -0.161 4.189 4.350 0.000 0.000 0.194 454 E C 1.110 177.691 176.600 -0.031 0.000 0.994 454 E CA 0.685 57.069 56.400 -0.026 0.000 0.801 454 E CB -0.196 29.490 29.700 -0.024 0.000 0.743 454 E HN 0.405 nan 8.360 nan 0.000 0.453 458 S N 1.326 117.007 115.700 -0.031 0.000 2.368 458 S HA -0.009 4.461 4.470 0.000 0.000 0.224 458 S C 1.831 176.410 174.600 -0.035 0.000 1.029 458 S CA 1.257 59.439 58.200 -0.030 0.000 0.988 458 S CB -0.043 63.139 63.200 -0.030 0.000 0.838 458 S HN 0.178 nan 8.310 nan 0.000 0.462 459 I N 1.325 121.867 120.570 -0.048 0.000 2.252 459 I HA -0.181 3.989 4.170 0.000 0.000 0.245 459 I C 2.473 178.557 176.117 -0.055 0.000 1.102 459 I CA 1.092 62.356 61.300 -0.061 0.000 1.385 459 I CB -0.228 37.719 38.000 -0.088 0.000 1.064 459 I HN 0.172 nan 8.210 nan 0.000 0.414 460 K N 1.857 122.228 120.400 -0.048 0.000 2.057 460 K HA -0.135 4.185 4.320 0.000 0.000 0.207 460 K C 2.009 178.594 176.600 -0.025 0.000 1.049 460 K CA 1.947 58.214 56.287 -0.034 0.000 0.931 460 K CB -0.460 32.024 32.500 -0.027 0.000 0.714 460 K HN 0.263 nan 8.250 nan 0.000 0.440 461 A N 0.355 123.160 122.820 -0.024 0.000 1.969 461 A HA -0.049 4.271 4.320 0.000 0.000 0.218 461 A C 2.077 179.642 177.584 -0.031 0.000 1.169 461 A CA 1.433 53.457 52.037 -0.023 0.000 0.635 461 A CB -0.595 18.395 19.000 -0.017 0.000 0.810 461 A HN 0.372 nan 8.150 nan 0.000 0.445 462 L N -1.028 120.178 121.223 -0.028 0.000 2.044 462 L HA 0.021 4.361 4.340 0.000 0.000 0.205 462 L C 1.932 178.788 176.870 -0.023 0.000 1.075 462 L CA 1.705 56.530 54.840 -0.025 0.000 0.747 462 L CB -0.517 41.531 42.059 -0.019 0.000 0.903 462 L HN 0.235 nan 8.230 nan 0.000 0.435 463 L N -0.763 120.451 121.223 -0.015 0.000 2.341 463 L HA 0.099 4.439 4.340 0.000 0.000 0.214 463 L C 0.445 177.316 176.870 0.002 0.000 1.115 463 L CA 0.988 55.835 54.840 0.012 0.000 0.820 463 L CB -0.464 41.616 42.059 0.036 0.000 0.944 463 L HN 0.340 nan 8.230 nan 0.000 0.452 464 D N -1.262 119.127 120.400 -0.019 0.000 2.772 464 D HA 0.159 4.799 4.640 0.000 0.000 0.326 464 D C -1.772 174.494 176.300 -0.056 0.000 1.207 464 D CA -1.587 52.398 54.000 -0.026 0.000 0.777 464 D CB 0.760 41.565 40.800 0.008 0.000 1.169 464 D HN -0.105 nan 8.370 nan 0.000 0.506 465 P HA -0.169 nan 4.420 nan 0.000 0.216 465 P C 0.783 178.038 177.300 -0.074 0.000 1.153 465 P CA 1.345 64.356 63.100 -0.149 0.000 0.858 465 P CB -0.003 31.532 31.700 -0.274 0.000 0.789 466 H N -1.351 117.731 119.070 0.021 0.000 2.547 466 H HA 0.280 4.836 4.556 0.000 0.000 0.266 466 H C 1.105 176.445 175.328 0.020 0.000 0.988 466 H CA 0.068 56.128 56.048 0.020 0.000 1.147 466 H CB -0.572 29.205 29.762 0.024 0.000 1.365 466 H HN 0.165 nan 8.280 nan 0.000 0.589 467 G N 1.850 110.707 108.800 0.095 0.000 2.338 467 G HA2 -0.297 3.663 3.960 0.000 0.000 0.296 467 G HA3 -0.297 3.663 3.960 0.000 0.000 0.296 467 G C 0.304 175.243 174.900 0.065 0.000 1.040 467 G CA 0.731 45.869 45.100 0.063 0.000 1.004 467 G HN 0.606 nan 8.290 nan 0.000 0.509 471 P HA 0.305 nan 4.420 nan 0.000 0.272 471 P C 0.874 178.179 177.300 0.008 0.000 1.223 471 P CA 0.799 63.907 63.100 0.013 0.000 0.784 471 P CB 0.638 32.348 31.700 0.017 0.000 0.923 472 G N 0.949 109.748 108.800 -0.000 0.000 2.136 472 G HA2 -0.210 3.750 3.960 0.000 0.000 0.242 472 G HA3 -0.210 3.750 3.960 0.000 0.000 0.242 472 G C -0.122 174.760 174.900 -0.029 0.000 0.989 472 G CA 0.007 45.097 45.100 -0.016 0.000 0.682 472 G HN 0.632 nan 8.290 nan 0.000 0.522 473 K N -0.676 119.715 120.400 -0.016 0.000 2.375 473 K HA 0.723 5.043 4.320 0.000 0.000 0.249 473 K C 1.314 177.907 176.600 -0.012 0.000 0.942 473 K CA -0.574 55.702 56.287 -0.019 0.000 0.806 473 K CB 2.972 35.467 32.500 -0.008 0.000 1.227 473 K HN 0.527 nan 8.250 nan 0.000 0.430 474 V N -1.165 118.742 119.914 -0.011 0.000 0.588 474 V HA -0.389 3.731 4.120 0.000 0.000 0.092 474 V C 0.456 176.542 176.094 -0.014 0.000 1.830 474 V CA 1.848 64.142 62.300 -0.010 0.000 3.401 474 V CB -2.123 29.695 31.823 -0.008 0.000 0.689 474 V HN 0.719 nan 8.190 nan 0.000 0.712 475 V N 0.000 119.905 119.914 -0.015 0.000 2.409 475 V HA 0.000 4.120 4.120 0.000 0.000 0.244 475 V CA 0.000 62.291 62.300 -0.015 0.000 1.235 475 V CB 0.000 31.811 31.823 -0.020 0.000 1.184 475 V HN 0.000 nan 8.190 nan 0.000 0.556