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 1v2d_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRLHPRTEAA XXXIFPRMSG LAQRLGAVNL GQGFPSNPPP PFLLEAVRRA DATA SEQUENCE LGRQDQYAPP AGLPALREAL AEEFAVEPES VVVTSGATEA LYVLLQSLVG DATA SEQUENCE PGDEVVVLEP FFDVYLPDAF LAGAKARLVR LDLTPEGFRL DLSALEKALT DATA SEQUENCE PRTRALLLNT PMNPTGLVFG ERELEAIARL ARAHDLFLIS DEVYDELYYG DATA SEQUENCE ERPRRLREFA PERTFTVGSA GKRLEATGYR VGWIVGPKEF MPRLAGMRQW DATA SEQUENCE TSFSAPTPLQ AGVAEALKLA RREGFYEALR EGYRRRRDLL AGGLRAMGLR DATA SEQUENCE VYVPEGTYFL MAELPGWDAF RLVEEARVAL IPASAFYLED PPKDLFRFAF DATA SEQUENCE CKTEEELHLA LERLGRVV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.305 176.300 0.008 0.000 1.140 1 M CA 0.000 55.304 55.300 0.007 0.000 0.988 1 M CB 0.000 32.605 32.600 0.008 0.000 1.302 2 R N 3.185 123.692 120.500 0.010 0.000 2.663 2 R HA 0.707 5.041 4.340 -0.011 0.000 0.267 2 R C -2.204 174.111 176.300 0.024 0.000 1.038 2 R CA -0.772 55.335 56.100 0.012 0.000 0.886 2 R CB 0.957 31.258 30.300 0.002 0.000 1.249 2 R HN 1.012 nan 8.270 nan 0.000 0.463 3 L N 1.798 123.041 121.223 0.033 0.000 2.464 3 L HA 0.255 4.588 4.340 -0.011 0.000 0.264 3 L C 1.186 178.104 176.870 0.081 0.000 1.199 3 L CA -0.616 54.262 54.840 0.062 0.000 0.818 3 L CB 0.144 42.240 42.059 0.062 0.000 1.102 3 L HN 0.552 nan 8.230 nan 0.000 0.473 4 H N 4.311 123.396 119.070 0.026 0.000 2.815 4 H HA 0.046 4.595 4.556 -0.011 0.000 0.350 4 H C -1.728 173.628 175.328 0.048 0.000 1.080 4 H CA -1.489 54.577 56.048 0.031 0.000 1.433 4 H CB 1.510 31.288 29.762 0.027 0.000 1.432 4 H HN 0.347 nan 8.280 nan 0.000 0.592 5 P HA -0.171 nan 4.420 nan 0.000 0.223 5 P C 0.983 178.449 177.300 0.276 0.000 1.144 5 P CA 1.139 64.255 63.100 0.026 0.000 0.783 5 P CB -0.047 31.592 31.700 -0.101 0.000 0.771 6 R N 0.596 121.447 120.500 0.586 0.000 2.285 6 R HA -0.027 4.306 4.340 -0.011 0.000 0.213 6 R C 1.606 178.121 176.300 0.358 0.000 1.068 6 R CA 1.608 57.992 56.100 0.474 0.000 1.004 6 R CB -1.767 28.674 30.300 0.235 0.000 0.873 6 R HN 0.141 nan 8.270 nan 0.000 0.467 7 T N -2.097 112.607 114.554 0.249 0.000 3.160 7 T HA 0.063 4.406 4.350 -0.011 0.000 0.257 7 T C 1.080 175.839 174.700 0.098 0.000 1.147 7 T CA 0.482 62.672 62.100 0.150 0.000 1.064 7 T CB 0.048 68.983 68.868 0.111 0.000 0.949 7 T HN 0.445 nan 8.240 nan 0.000 0.526 8 E N 1.036 121.294 120.200 0.096 0.000 2.338 8 E HA 0.086 4.429 4.350 -0.011 0.000 0.197 8 E C 2.256 178.811 176.600 -0.074 0.000 1.007 8 E CA 0.666 57.065 56.400 -0.002 0.000 0.849 8 E CB -0.175 29.505 29.700 -0.034 0.000 0.774 8 E HN 0.743 nan 8.360 nan 0.000 0.506 9 A N 1.307 124.104 122.820 -0.039 0.000 2.119 9 A HA 0.220 4.533 4.320 -0.011 0.000 0.216 9 A C 1.375 178.953 177.584 -0.011 0.000 1.152 9 A CA 0.617 52.611 52.037 -0.072 0.000 0.708 9 A CB -0.028 19.017 19.000 0.074 0.000 0.805 9 A HN 0.234 nan 8.150 nan 0.000 0.460 15 F N 3.652 123.564 119.950 -0.063 0.000 2.043 15 F HA -0.082 4.437 4.527 -0.012 0.000 0.297 15 F C -0.343 175.451 175.800 -0.011 0.000 1.121 15 F CA 2.618 60.597 58.000 -0.036 0.000 1.199 15 F CB -2.220 36.765 39.000 -0.026 0.000 0.968 15 F HN 0.150 nan 8.300 nan 0.000 0.478 16 P HA -0.179 nan 4.420 nan 0.000 0.219 16 P C 1.544 178.875 177.300 0.051 0.000 1.150 16 P CA 1.577 64.746 63.100 0.116 0.000 0.814 16 P CB -0.200 31.558 31.700 0.096 0.000 0.787 17 R N -0.857 119.652 120.500 0.015 0.000 2.092 17 R HA -0.036 4.297 4.340 -0.011 0.000 0.231 17 R C 2.365 178.615 176.300 -0.083 0.000 1.119 17 R CA 1.340 57.421 56.100 -0.031 0.000 0.970 17 R CB -0.396 29.880 30.300 -0.040 0.000 0.864 17 R HN 0.018 nan 8.270 nan 0.000 0.440 18 M N -0.065 119.476 119.600 -0.098 0.000 2.175 18 M HA -0.059 4.415 4.480 -0.011 0.000 0.264 18 M C 2.148 178.403 176.300 -0.075 0.000 1.063 18 M CA 1.436 56.653 55.300 -0.138 0.000 1.119 18 M CB -0.535 31.988 32.600 -0.128 0.000 1.377 18 M HN 0.078 nan 8.290 nan 0.000 0.415 19 S N 0.345 116.038 115.700 -0.012 0.000 2.383 19 S HA -0.034 4.429 4.470 -0.011 0.000 0.227 19 S C 1.978 176.578 174.600 -0.001 0.000 1.026 19 S CA 1.247 59.453 58.200 0.011 0.000 0.981 19 S CB -0.555 62.684 63.200 0.065 0.000 0.818 19 S HN 0.657 nan 8.310 nan 0.000 0.472 20 G N 1.220 110.017 108.800 -0.005 0.000 2.408 20 G HA2 -0.109 3.844 3.960 -0.011 0.000 0.217 20 G HA3 -0.109 3.844 3.960 -0.011 0.000 0.217 20 G C 1.337 176.221 174.900 -0.027 0.000 1.150 20 G CA 0.472 45.568 45.100 -0.006 0.000 0.776 20 G HN 0.412 nan 8.290 nan 0.000 0.542 21 L N 1.112 122.299 121.223 -0.060 0.000 2.156 21 L HA 0.313 4.647 4.340 -0.011 0.000 0.208 21 L C 2.959 179.789 176.870 -0.066 0.000 1.095 21 L CA 1.710 56.503 54.840 -0.079 0.000 0.770 21 L CB -0.476 41.491 42.059 -0.154 0.000 0.914 21 L HN 0.209 nan 8.230 nan 0.000 0.439 22 A N -1.142 121.640 122.820 -0.064 0.000 1.930 22 A HA -0.243 4.070 4.320 -0.011 0.000 0.217 22 A C 2.290 179.856 177.584 -0.030 0.000 1.175 22 A CA 1.580 53.586 52.037 -0.053 0.000 0.627 22 A CB -0.581 18.388 19.000 -0.052 0.000 0.815 22 A HN 0.604 nan 8.150 nan 0.000 0.443 23 Q N -0.397 119.393 119.800 -0.017 0.000 2.079 23 Q HA -0.174 4.159 4.340 -0.011 0.000 0.200 23 Q C 2.274 178.271 176.000 -0.006 0.000 0.974 23 Q CA 1.440 57.240 55.803 -0.005 0.000 0.840 23 Q CB -0.108 28.634 28.738 0.007 0.000 0.898 23 Q HN 0.660 nan 8.270 nan 0.000 0.430 24 R N -0.100 120.394 120.500 -0.010 0.000 2.073 24 R HA -0.081 4.252 4.340 -0.011 0.000 0.234 24 R C 2.172 178.468 176.300 -0.008 0.000 1.134 24 R CA 1.370 57.466 56.100 -0.007 0.000 0.952 24 R CB -0.204 30.091 30.300 -0.008 0.000 0.850 24 R HN 0.318 nan 8.270 nan 0.000 0.433 25 L N -0.105 121.109 121.223 -0.015 0.000 2.599 25 L HA 0.191 4.524 4.340 -0.011 0.000 0.230 25 L C 0.886 177.747 176.870 -0.015 0.000 1.141 25 L CA 0.231 55.062 54.840 -0.015 0.000 0.877 25 L CB -0.048 41.999 42.059 -0.021 0.000 1.009 25 L HN 0.436 nan 8.230 nan 0.000 0.447 26 G N 1.105 109.896 108.800 -0.014 0.000 2.295 26 G HA2 -0.238 3.716 3.960 -0.011 0.000 0.287 26 G HA3 -0.238 3.716 3.960 -0.011 0.000 0.287 26 G C 0.260 175.148 174.900 -0.020 0.000 1.055 26 G CA 0.244 45.337 45.100 -0.013 0.000 0.922 26 G HN 0.520 nan 8.290 nan 0.000 0.503 27 A N -0.748 122.054 122.820 -0.030 0.000 2.293 27 A HA 0.798 5.111 4.320 -0.011 0.000 0.302 27 A C 0.631 178.190 177.584 -0.041 0.000 1.119 27 A CA -0.202 51.809 52.037 -0.043 0.000 0.823 27 A CB 1.343 20.306 19.000 -0.062 0.000 1.097 27 A HN 1.197 nan 8.150 nan 0.000 0.491 28 V N 2.286 122.174 119.914 -0.044 0.000 2.521 28 V HA 0.012 4.125 4.120 -0.011 0.000 0.286 28 V C 0.778 176.841 176.094 -0.052 0.000 1.034 28 V CA 0.076 62.354 62.300 -0.037 0.000 1.045 28 V CB 0.327 32.133 31.823 -0.028 0.000 0.974 28 V HN 0.905 nan 8.190 nan 0.000 0.480 29 N N 4.646 123.318 118.700 -0.047 0.000 2.521 29 N HA 0.306 5.039 4.740 -0.011 0.000 0.236 29 N C 0.424 175.901 175.510 -0.055 0.000 1.067 29 N CA -0.476 52.540 53.050 -0.057 0.000 0.939 29 N CB 0.428 38.882 38.487 -0.055 0.000 1.201 29 N HN 0.685 nan 8.380 nan 0.000 0.511 30 L N 2.539 123.732 121.223 -0.050 0.000 2.700 30 L HA 0.262 4.595 4.340 -0.011 0.000 0.234 30 L C 1.794 178.681 176.870 0.029 0.000 1.156 30 L CA -0.051 54.785 54.840 -0.006 0.000 0.946 30 L CB 0.394 42.451 42.059 -0.003 0.000 1.216 30 L HN 0.619 nan 8.230 nan 0.000 0.493 31 G N -1.041 107.768 108.800 0.016 0.000 2.719 31 G HA2 -0.012 3.942 3.960 -0.011 0.000 0.211 31 G HA3 -0.012 3.942 3.960 -0.011 0.000 0.211 31 G C 0.685 175.672 174.900 0.144 0.000 1.140 31 G CA -0.228 44.931 45.100 0.099 0.000 0.790 31 G HN 0.279 nan 8.290 nan 0.000 0.529 32 Q N 0.685 120.484 119.800 -0.001 0.000 2.289 32 Q HA 0.318 4.651 4.340 -0.011 0.000 0.273 32 Q C 0.727 176.672 176.000 -0.092 0.000 1.029 32 Q CA -0.027 55.683 55.803 -0.156 0.000 0.896 32 Q CB 1.246 29.645 28.738 -0.565 0.000 1.182 32 Q HN 0.174 nan 8.270 nan 0.000 0.385 33 G N 3.675 112.558 108.800 0.138 0.000 3.639 33 G HA2 0.339 4.293 3.960 -0.011 0.000 0.279 33 G HA3 0.339 4.293 3.960 -0.011 0.000 0.279 33 G C -0.494 174.670 174.900 0.439 0.000 1.312 33 G CA -0.095 45.294 45.100 0.481 0.000 1.355 33 G HN 0.519 nan 8.290 nan 0.000 0.595 34 F N -2.960 117.058 119.950 0.112 0.000 2.641 34 F HA 0.662 5.183 4.527 -0.010 0.000 0.308 34 F C -3.108 172.628 175.800 -0.107 0.000 1.105 34 F CA -3.643 54.377 58.000 0.033 0.000 0.964 34 F CB 0.510 39.565 39.000 0.090 0.000 1.294 34 F HN -0.216 nan 8.300 nan 0.000 0.442 35 P HA 0.093 nan 4.420 nan 0.000 0.264 35 P C 0.151 177.521 177.300 0.116 0.000 1.183 35 P CA 0.141 63.255 63.100 0.025 0.000 0.763 35 P CB 0.717 32.478 31.700 0.102 0.000 0.807 36 S N 0.811 116.522 115.700 0.019 0.000 2.602 36 S HA 0.232 4.695 4.470 -0.011 0.000 0.246 36 S C 0.113 174.739 174.600 0.044 0.000 1.009 36 S CA -0.540 57.687 58.200 0.044 0.000 1.052 36 S CB -1.150 62.043 63.200 -0.012 0.000 0.778 36 S HN 0.599 nan 8.310 nan 0.000 0.455 37 N N -0.244 118.488 118.700 0.054 0.000 2.610 37 N HA 0.691 5.424 4.740 -0.011 0.000 0.264 37 N C -3.326 172.209 175.510 0.041 0.000 1.348 37 N CA -1.734 51.338 53.050 0.037 0.000 0.819 37 N CB 0.504 39.001 38.487 0.015 0.000 1.521 37 N HN -0.008 nan 8.380 nan 0.000 0.497 38 P HA 0.423 nan 4.420 nan 0.000 0.278 38 P C -2.639 174.650 177.300 -0.018 0.000 1.266 38 P CA -0.992 62.112 63.100 0.007 0.000 0.807 38 P CB 0.177 31.881 31.700 0.006 0.000 1.094 39 P HA 0.226 nan 4.420 nan 0.000 0.274 39 P C -2.333 174.849 177.300 -0.197 0.000 1.256 39 P CA -1.566 61.450 63.100 -0.141 0.000 0.795 39 P CB -1.071 30.481 31.700 -0.246 0.000 1.038 40 P HA 0.101 nan 4.420 nan 0.000 0.267 40 P C -2.084 174.906 177.300 -0.516 0.000 1.200 40 P CA -1.110 61.676 63.100 -0.523 0.000 0.772 40 P CB -0.559 30.428 31.700 -1.187 0.000 0.855 41 P HA -0.160 nan 4.420 nan 0.000 0.216 41 P C 1.405 178.628 177.300 -0.129 0.000 1.150 41 P CA 1.427 64.445 63.100 -0.136 0.000 0.837 41 P CB -0.550 31.140 31.700 -0.017 0.000 0.786 42 F N -1.338 118.556 119.950 -0.093 0.000 2.365 42 F HA -0.036 4.484 4.527 -0.012 0.000 0.300 42 F C 1.781 177.535 175.800 -0.078 0.000 1.090 42 F CA 0.571 58.517 58.000 -0.090 0.000 1.408 42 F CB -1.533 37.394 39.000 -0.122 0.000 1.060 42 F HN -0.170 nan 8.300 nan 0.000 0.534 43 L N 0.813 121.762 121.223 -0.458 0.000 2.102 43 L HA 0.073 4.406 4.340 -0.011 0.000 0.202 43 L C 2.067 178.912 176.870 -0.042 0.000 1.076 43 L CA 1.411 56.126 54.840 -0.209 0.000 0.761 43 L CB -0.784 41.065 42.059 -0.350 0.000 0.921 43 L HN 0.227 nan 8.230 nan 0.000 0.444 44 L N -0.507 120.672 121.223 -0.073 0.000 2.042 44 L HA -0.178 4.155 4.340 -0.011 0.000 0.210 44 L C 2.643 179.521 176.870 0.013 0.000 1.076 44 L CA 1.181 56.024 54.840 0.006 0.000 0.749 44 L CB -0.825 41.226 42.059 -0.013 0.000 0.893 44 L HN 0.299 nan 8.230 nan 0.000 0.432 45 E N 0.289 120.495 120.200 0.010 0.000 2.110 45 E HA -0.178 4.165 4.350 -0.011 0.000 0.193 45 E C 2.295 178.915 176.600 0.034 0.000 0.988 45 E CA 1.377 57.792 56.400 0.026 0.000 0.804 45 E CB -0.163 29.561 29.700 0.039 0.000 0.745 45 E HN 0.461 nan 8.360 nan 0.000 0.458 46 A N 0.775 123.625 122.820 0.050 0.000 1.933 46 A HA -0.124 4.190 4.320 -0.011 0.000 0.218 46 A C 2.597 180.204 177.584 0.038 0.000 1.175 46 A CA 1.372 53.442 52.037 0.054 0.000 0.628 46 A CB -0.553 18.497 19.000 0.083 0.000 0.814 46 A HN 0.136 nan 8.150 nan 0.000 0.444 47 V N -0.242 119.694 119.914 0.036 0.000 2.307 47 V HA -0.227 3.887 4.120 -0.011 0.000 0.245 47 V C 2.589 178.679 176.094 -0.008 0.000 1.045 47 V CA 2.172 64.477 62.300 0.007 0.000 1.024 47 V CB -0.793 31.022 31.823 -0.013 0.000 0.651 47 V HN 0.631 nan 8.190 nan 0.000 0.449 48 R N -0.002 120.497 120.500 -0.001 0.000 2.103 48 R HA -0.241 4.092 4.340 -0.011 0.000 0.242 48 R C 2.516 178.814 176.300 -0.003 0.000 1.142 48 R CA 2.141 58.238 56.100 -0.005 0.000 0.960 48 R CB -0.300 30.001 30.300 0.002 0.000 0.858 48 R HN 0.416 nan 8.270 nan 0.000 0.439 49 R N -0.460 120.044 120.500 0.006 0.000 2.115 49 R HA -0.062 4.271 4.340 -0.011 0.000 0.230 49 R C 1.889 178.191 176.300 0.003 0.000 1.111 49 R CA 1.340 57.444 56.100 0.007 0.000 0.976 49 R CB -0.117 30.192 30.300 0.014 0.000 0.870 49 R HN 0.294 nan 8.270 nan 0.000 0.445 50 A N 0.887 123.708 122.820 0.002 0.000 2.016 50 A HA 0.104 4.417 4.320 -0.011 0.000 0.217 50 A C 0.905 178.483 177.584 -0.010 0.000 1.162 50 A CA 0.145 52.182 52.037 -0.001 0.000 0.662 50 A CB -0.158 18.843 19.000 0.002 0.000 0.812 50 A HN 0.230 nan 8.150 nan 0.000 0.450 51 L N -0.130 121.082 121.223 -0.018 0.000 2.513 51 L HA 0.314 4.647 4.340 -0.011 0.000 0.272 51 L C 1.541 178.400 176.870 -0.019 0.000 1.187 51 L CA 0.854 55.680 54.840 -0.025 0.000 0.895 51 L CB 0.133 42.174 42.059 -0.030 0.000 1.147 51 L HN 0.580 nan 8.230 nan 0.000 0.483 52 G N 2.944 111.731 108.800 -0.021 0.000 2.213 52 G HA2 -0.266 3.687 3.960 -0.011 0.000 0.236 52 G HA3 -0.266 3.687 3.960 -0.011 0.000 0.236 52 G C 1.084 175.976 174.900 -0.013 0.000 0.991 52 G CA 0.372 45.461 45.100 -0.018 0.000 0.629 52 G HN 0.666 nan 8.290 nan 0.000 0.517 53 R N -0.631 119.863 120.500 -0.010 0.000 2.310 53 R HA 0.280 4.614 4.340 -0.011 0.000 0.199 53 R C 0.649 176.948 176.300 -0.002 0.000 0.891 53 R CA 0.492 56.590 56.100 -0.005 0.000 1.060 53 R CB 0.533 30.833 30.300 -0.001 0.000 1.188 53 R HN 0.396 nan 8.270 nan 0.000 0.607 54 Q N 0.614 120.411 119.800 -0.004 0.000 3.244 54 Q HA 0.187 4.520 4.340 -0.011 0.000 0.249 54 Q C -1.106 174.889 176.000 -0.009 0.000 0.951 54 Q CA -0.155 55.649 55.803 0.001 0.000 0.740 54 Q CB 1.628 30.372 28.738 0.010 0.000 1.334 54 Q HN 0.143 nan 8.270 nan 0.000 0.448 55 D N -0.145 120.242 120.400 -0.021 0.000 2.449 55 D HA 0.022 4.656 4.640 -0.011 0.000 0.210 55 D C 0.287 176.547 176.300 -0.067 0.000 1.094 55 D CA 0.265 54.239 54.000 -0.042 0.000 0.846 55 D CB 1.096 41.866 40.800 -0.050 0.000 1.003 55 D HN 0.331 nan 8.370 nan 0.000 0.504 56 Q N 0.249 120.018 119.800 -0.052 0.000 2.169 56 Q HA 0.209 4.542 4.340 -0.011 0.000 0.234 56 Q C -0.222 175.780 176.000 0.004 0.000 0.980 56 Q CA -0.733 55.013 55.803 -0.094 0.000 0.941 56 Q CB 0.179 28.886 28.738 -0.053 0.000 1.199 56 Q HN 0.071 nan 8.270 nan 0.000 0.496 57 Y N 0.352 120.680 120.300 0.046 0.000 2.969 57 Y HA 0.071 4.614 4.550 -0.011 0.000 0.339 57 Y C 0.667 176.647 175.900 0.133 0.000 1.272 57 Y CA 0.372 58.545 58.100 0.122 0.000 1.577 57 Y CB -0.225 38.324 38.460 0.148 0.000 1.234 57 Y HN 0.495 nan 8.280 nan 0.000 0.590 58 A N 5.864 128.879 122.820 0.326 0.000 2.294 58 A HA 0.723 5.036 4.320 -0.011 0.000 0.330 58 A C -2.563 175.096 177.584 0.124 0.000 1.133 58 A CA -2.165 49.974 52.037 0.170 0.000 0.836 58 A CB 0.523 19.588 19.000 0.109 0.000 1.190 58 A HN 0.503 nan 8.150 nan 0.000 0.492 59 P HA 0.159 nan 4.420 nan 0.000 0.269 59 P C -2.006 175.165 177.300 -0.214 0.000 1.209 59 P CA -0.843 62.206 63.100 -0.085 0.000 0.776 59 P CB 0.171 31.836 31.700 -0.059 0.000 0.876 60 P HA -0.240 nan 4.420 nan 0.000 0.216 60 P C 1.170 178.316 177.300 -0.256 0.000 1.153 60 P CA 2.021 64.819 63.100 -0.503 0.000 0.858 60 P CB -0.330 30.979 31.700 -0.651 0.000 0.789 61 A N -1.257 121.450 122.820 -0.188 0.000 2.070 61 A HA 0.324 4.637 4.320 -0.011 0.000 0.220 61 A C 1.173 178.723 177.584 -0.058 0.000 1.159 61 A CA 1.394 53.367 52.037 -0.107 0.000 0.656 61 A CB -1.116 17.834 19.000 -0.085 0.000 0.800 61 A HN 0.372 nan 8.150 nan 0.000 0.453 62 G N -2.374 106.393 108.800 -0.056 0.000 2.428 62 G HA2 0.103 4.056 3.960 -0.011 0.000 0.681 62 G HA3 0.103 4.056 3.960 -0.011 0.000 0.681 62 G C -0.624 174.276 174.900 0.001 0.000 1.340 62 G CA -0.611 44.483 45.100 -0.010 0.000 0.915 62 G HN 0.471 nan 8.290 nan 0.000 0.645 63 L N 1.753 122.990 121.223 0.022 0.000 2.499 63 L HA 0.111 4.444 4.340 -0.011 0.000 0.273 63 L C -0.701 176.177 176.870 0.013 0.000 1.195 63 L CA -1.126 53.728 54.840 0.024 0.000 0.882 63 L CB 1.229 43.309 42.059 0.036 0.000 1.133 63 L HN 0.438 nan 8.230 nan 0.000 0.483 64 P HA -0.232 nan 4.420 nan 0.000 0.216 64 P C 1.238 178.539 177.300 0.002 0.000 1.153 64 P CA 1.664 64.765 63.100 0.002 0.000 0.858 64 P CB 0.215 31.916 31.700 0.003 0.000 0.789 65 A N -0.959 121.866 122.820 0.008 0.000 1.933 65 A HA -0.176 4.138 4.320 -0.011 0.000 0.218 65 A C 2.234 179.820 177.584 0.004 0.000 1.175 65 A CA 1.323 53.364 52.037 0.007 0.000 0.628 65 A CB -1.569 17.440 19.000 0.014 0.000 0.814 65 A HN 0.161 nan 8.150 nan 0.000 0.444 66 L N -1.161 120.068 121.223 0.010 0.000 2.095 66 L HA -0.102 4.232 4.340 -0.011 0.000 0.204 66 L C 2.816 179.669 176.870 -0.028 0.000 1.080 66 L CA 1.040 55.883 54.840 0.004 0.000 0.759 66 L CB -0.303 41.778 42.059 0.037 0.000 0.914 66 L HN 0.394 nan 8.230 nan 0.000 0.439 67 R N -0.165 120.324 120.500 -0.019 0.000 2.081 67 R HA -0.190 4.143 4.340 -0.011 0.000 0.235 67 R C 2.021 178.298 176.300 -0.039 0.000 1.131 67 R CA 1.575 57.656 56.100 -0.033 0.000 0.960 67 R CB -0.246 30.042 30.300 -0.020 0.000 0.856 67 R HN 0.477 nan 8.270 nan 0.000 0.436 68 E N 0.620 120.805 120.200 -0.025 0.000 2.051 68 E HA -0.159 4.184 4.350 -0.011 0.000 0.192 68 E C 2.099 178.684 176.600 -0.025 0.000 0.991 68 E CA 1.152 57.540 56.400 -0.020 0.000 0.799 68 E CB -0.122 29.571 29.700 -0.012 0.000 0.748 68 E HN 0.358 nan 8.360 nan 0.000 0.449 69 A N 1.046 123.847 122.820 -0.031 0.000 1.933 69 A HA -0.163 4.150 4.320 -0.011 0.000 0.218 69 A C 2.168 179.716 177.584 -0.061 0.000 1.175 69 A CA 1.102 53.117 52.037 -0.037 0.000 0.628 69 A CB -0.557 18.424 19.000 -0.030 0.000 0.814 69 A HN 0.132 nan 8.150 nan 0.000 0.444 70 L N -1.049 120.112 121.223 -0.104 0.000 2.072 70 L HA -0.122 4.211 4.340 -0.011 0.000 0.205 70 L C 3.092 179.980 176.870 0.030 0.000 1.079 70 L CA 0.882 55.642 54.840 -0.133 0.000 0.752 70 L CB -0.515 41.342 42.059 -0.336 0.000 0.906 70 L HN 0.424 nan 8.230 nan 0.000 0.436 71 A N 0.089 122.907 122.820 -0.003 0.000 1.940 71 A HA -0.233 4.080 4.320 -0.011 0.000 0.219 71 A C 2.134 179.747 177.584 0.049 0.000 1.176 71 A CA 1.719 53.776 52.037 0.033 0.000 0.631 71 A CB -0.422 18.579 19.000 0.000 0.000 0.814 71 A HN 0.469 nan 8.150 nan 0.000 0.446 72 E N -0.280 119.929 120.200 0.014 0.000 2.051 72 E HA -0.208 4.135 4.350 -0.011 0.000 0.192 72 E C 2.016 178.608 176.600 -0.014 0.000 0.991 72 E CA 1.391 57.791 56.400 -0.001 0.000 0.799 72 E CB -0.216 29.476 29.700 -0.012 0.000 0.748 72 E HN 0.734 nan 8.360 nan 0.000 0.449 73 E N -0.031 120.149 120.200 -0.034 0.000 2.072 73 E HA -0.136 4.207 4.350 -0.011 0.000 0.191 73 E C 1.550 178.002 176.600 -0.247 0.000 0.985 73 E CA 0.832 57.144 56.400 -0.148 0.000 0.801 73 E CB -0.067 29.496 29.700 -0.228 0.000 0.750 73 E HN 0.230 nan 8.360 nan 0.000 0.452 74 F N -0.144 119.768 119.950 -0.063 0.000 2.797 74 F HA 0.266 4.786 4.527 -0.011 0.000 0.302 74 F C 0.962 176.738 175.800 -0.039 0.000 1.130 74 F CA 0.361 58.334 58.000 -0.044 0.000 1.387 74 F CB 0.340 39.312 39.000 -0.046 0.000 1.107 74 F HN -0.114 nan 8.300 nan 0.000 0.577 75 A N 0.453 123.322 122.820 0.081 0.000 2.739 75 A HA -0.067 4.246 4.320 -0.011 0.000 0.296 75 A C 0.173 177.787 177.584 0.050 0.000 1.488 75 A CA 0.723 52.784 52.037 0.040 0.000 0.746 75 A CB -2.526 16.480 19.000 0.011 0.000 1.047 75 A HN 0.526 nan 8.150 nan 0.000 0.477 76 V N -3.268 116.683 119.914 0.062 0.000 3.156 76 V HA 0.963 5.076 4.120 -0.011 0.000 0.311 76 V C 0.135 176.238 176.094 0.014 0.000 1.208 76 V CA -0.521 61.799 62.300 0.034 0.000 1.063 76 V CB 1.799 33.643 31.823 0.034 0.000 1.098 76 V HN 0.973 nan 8.190 nan 0.000 0.452 77 E N 0.331 120.530 120.200 -0.001 0.000 2.283 77 E HA 0.414 4.757 4.350 -0.011 0.000 0.271 77 E C -2.430 174.162 176.600 -0.012 0.000 1.031 77 E CA -1.920 54.475 56.400 -0.008 0.000 0.868 77 E CB 1.158 30.850 29.700 -0.013 0.000 1.094 77 E HN 0.398 nan 8.360 nan 0.000 0.401 78 P HA -0.214 nan 4.420 nan 0.000 0.216 78 P C 0.881 178.169 177.300 -0.020 0.000 1.150 78 P CA 1.589 64.678 63.100 -0.019 0.000 0.843 78 P CB 0.165 31.855 31.700 -0.017 0.000 0.787 79 E N -0.223 119.966 120.200 -0.018 0.000 2.333 79 E HA -0.114 4.229 4.350 -0.011 0.000 0.198 79 E C 1.509 178.102 176.600 -0.012 0.000 1.007 79 E CA 1.379 57.769 56.400 -0.018 0.000 0.845 79 E CB -1.211 28.477 29.700 -0.021 0.000 0.766 79 E HN 0.399 nan 8.360 nan 0.000 0.507 80 S N -0.147 115.544 115.700 -0.014 0.000 2.605 80 S HA 0.199 4.662 4.470 -0.011 0.000 0.217 80 S C 0.647 175.242 174.600 -0.009 0.000 0.958 80 S CA -0.504 57.693 58.200 -0.006 0.000 0.919 80 S CB 0.111 63.300 63.200 -0.019 0.000 0.780 80 S HN -0.018 nan 8.310 nan 0.000 0.507 81 V N 1.587 121.491 119.914 -0.018 0.000 2.459 81 V HA 0.596 4.710 4.120 -0.011 0.000 0.295 81 V C -0.568 175.531 176.094 0.008 0.000 1.029 81 V CA -0.694 61.593 62.300 -0.022 0.000 0.874 81 V CB 1.705 33.492 31.823 -0.060 0.000 0.985 81 V HN 0.234 nan 8.190 nan 0.000 0.438 82 V N 5.059 124.998 119.914 0.041 0.000 2.577 82 V HA 0.414 4.527 4.120 -0.011 0.000 0.303 82 V C -0.320 175.823 176.094 0.082 0.000 1.042 82 V CA -0.637 61.683 62.300 0.034 0.000 0.872 82 V CB 2.263 34.094 31.823 0.014 0.000 0.998 82 V HN 0.617 nan 8.190 nan 0.000 0.423 83 V N 4.880 124.835 119.914 0.068 0.000 2.406 83 V HA 0.498 4.611 4.120 -0.011 0.000 0.272 83 V C 0.671 176.802 176.094 0.062 0.000 1.043 83 V CA -0.088 62.282 62.300 0.116 0.000 0.915 83 V CB 1.520 33.407 31.823 0.106 0.000 0.988 83 V HN 1.053 nan 8.190 nan 0.000 0.466 84 T N 1.198 115.795 114.554 0.072 0.000 2.949 84 T HA 0.384 4.728 4.350 -0.011 0.000 0.287 84 T C 0.222 174.942 174.700 0.033 0.000 1.034 84 T CA -0.751 61.365 62.100 0.027 0.000 1.018 84 T CB 1.556 70.427 68.868 0.006 0.000 1.135 84 T HN 0.385 nan 8.240 nan 0.000 0.532 85 S N 1.347 117.061 115.700 0.023 0.000 4.139 85 S HA 0.568 5.031 4.470 -0.011 0.000 0.215 85 S C 0.803 175.410 174.600 0.012 0.000 1.390 85 S CA 0.065 58.282 58.200 0.028 0.000 0.885 85 S CB -1.113 62.103 63.200 0.028 0.000 1.560 85 S HN 1.410 nan 8.310 nan 0.000 0.449 86 G N 1.166 109.965 108.800 -0.002 0.000 2.690 86 G HA2 0.056 4.009 3.960 -0.011 0.000 0.686 86 G HA3 0.056 4.009 3.960 -0.011 0.000 0.686 86 G C 0.531 175.383 174.900 -0.080 0.000 1.277 86 G CA -0.543 44.532 45.100 -0.041 0.000 0.799 86 G HN 0.662 nan 8.290 nan 0.000 0.613 87 A N -0.081 122.652 122.820 -0.144 0.000 2.067 87 A HA 0.181 4.494 4.320 -0.011 0.000 0.219 87 A C 2.564 180.126 177.584 -0.037 0.000 1.158 87 A CA 2.772 54.714 52.037 -0.158 0.000 0.661 87 A CB -0.652 18.202 19.000 -0.244 0.000 0.801 87 A HN 1.515 nan 8.150 nan 0.000 0.452 88 T N -0.387 114.172 114.554 0.009 0.000 2.720 88 T HA -0.181 4.162 4.350 -0.011 0.000 0.268 88 T C 1.839 176.593 174.700 0.089 0.000 1.037 88 T CA 1.681 63.832 62.100 0.084 0.000 1.144 88 T CB -0.168 68.745 68.868 0.075 0.000 0.864 88 T HN 0.748 nan 8.240 nan 0.000 0.444 89 E N 0.596 120.824 120.200 0.047 0.000 2.107 89 E HA -0.038 4.305 4.350 -0.011 0.000 0.191 89 E C 2.400 179.047 176.600 0.079 0.000 0.982 89 E CA 0.757 57.197 56.400 0.067 0.000 0.809 89 E CB -0.180 29.536 29.700 0.027 0.000 0.756 89 E HN 0.462 nan 8.360 nan 0.000 0.459 90 A N 1.110 123.942 122.820 0.020 0.000 1.883 90 A HA -0.186 4.127 4.320 -0.011 0.000 0.217 90 A C 2.168 179.743 177.584 -0.015 0.000 1.186 90 A CA 1.315 53.342 52.037 -0.017 0.000 0.624 90 A CB -0.728 18.236 19.000 -0.060 0.000 0.822 90 A HN 0.306 nan 8.150 nan 0.000 0.444 91 L N -2.374 118.867 121.223 0.031 0.000 2.056 91 L HA -0.181 4.153 4.340 -0.011 0.000 0.207 91 L C 2.586 179.481 176.870 0.043 0.000 1.078 91 L CA 1.779 56.645 54.840 0.044 0.000 0.749 91 L CB -0.653 41.498 42.059 0.153 0.000 0.901 91 L HN 0.597 nan 8.230 nan 0.000 0.433 92 Y N 0.225 120.522 120.300 -0.004 0.000 2.145 92 Y HA -0.241 4.302 4.550 -0.012 0.000 0.286 92 Y C 2.398 178.269 175.900 -0.049 0.000 1.145 92 Y CA 1.769 59.863 58.100 -0.010 0.000 1.148 92 Y CB -0.181 38.283 38.460 0.007 0.000 0.981 92 Y HN -0.159 nan 8.280 nan 0.000 0.507 93 V N 0.439 120.379 119.914 0.043 0.000 2.515 93 V HA -0.293 3.820 4.120 -0.011 0.000 0.250 93 V C 2.387 178.351 176.094 -0.217 0.000 1.058 93 V CA 1.752 64.009 62.300 -0.071 0.000 1.064 93 V CB -0.689 31.132 31.823 -0.003 0.000 0.675 93 V HN 0.449 nan 8.190 nan 0.000 0.461 94 L N -0.901 120.179 121.223 -0.238 0.000 2.027 94 L HA -0.147 4.187 4.340 -0.011 0.000 0.206 94 L C 2.440 179.095 176.870 -0.358 0.000 1.074 94 L CA 1.178 55.797 54.840 -0.369 0.000 0.745 94 L CB -0.422 41.422 42.059 -0.359 0.000 0.898 94 L HN 0.276 nan 8.230 nan 0.000 0.433 95 L N -0.625 120.425 121.223 -0.290 0.000 2.056 95 L HA -0.189 4.144 4.340 -0.011 0.000 0.207 95 L C 2.688 179.383 176.870 -0.292 0.000 1.078 95 L CA 1.577 56.257 54.840 -0.267 0.000 0.749 95 L CB -1.268 40.657 42.059 -0.224 0.000 0.901 95 L HN 0.404 nan 8.230 nan 0.000 0.433 96 Q N -0.623 118.959 119.800 -0.363 0.000 2.170 96 Q HA -0.108 4.226 4.340 -0.011 0.000 0.203 96 Q C 2.250 178.115 176.000 -0.224 0.000 0.976 96 Q CA 1.329 56.942 55.803 -0.316 0.000 0.858 96 Q CB -0.075 28.448 28.738 -0.358 0.000 0.907 96 Q HN 0.442 nan 8.270 nan 0.000 0.433 97 S N -0.062 115.486 115.700 -0.253 0.000 2.478 97 S HA 0.146 4.609 4.470 -0.011 0.000 0.222 97 S C 1.874 176.302 174.600 -0.286 0.000 1.008 97 S CA 0.171 58.226 58.200 -0.243 0.000 0.928 97 S CB 0.323 63.353 63.200 -0.284 0.000 0.781 97 S HN 0.238 nan 8.310 nan 0.000 0.518 98 L N 0.854 121.882 121.223 -0.325 0.000 2.425 98 L HA 0.289 4.622 4.340 -0.011 0.000 0.215 98 L C 0.503 177.291 176.870 -0.136 0.000 1.065 98 L CA 0.077 54.729 54.840 -0.313 0.000 0.842 98 L CB 0.231 42.029 42.059 -0.434 0.000 1.033 98 L HN 0.197 nan 8.230 nan 0.000 0.474 99 V N -3.157 116.677 119.914 -0.133 0.000 3.141 99 V HA 1.025 5.138 4.120 -0.011 0.000 0.312 99 V C -0.258 175.780 176.094 -0.093 0.000 1.157 99 V CA -0.276 61.975 62.300 -0.082 0.000 1.041 99 V CB 1.461 33.241 31.823 -0.070 0.000 1.071 99 V HN 0.077 nan 8.190 nan 0.000 0.441 100 G N -0.000 108.758 108.800 -0.070 0.000 2.634 100 G HA2 0.661 4.614 3.960 -0.011 0.000 0.309 100 G HA3 0.661 4.614 3.960 -0.011 0.000 0.309 100 G C -3.469 171.394 174.900 -0.062 0.000 1.299 100 G CA -1.262 43.791 45.100 -0.078 0.000 0.798 100 G HN 0.660 nan 8.290 nan 0.000 0.490 101 P HA 0.283 nan 4.420 nan 0.000 0.261 101 P C 0.888 178.170 177.300 -0.030 0.000 1.183 101 P CA 2.172 65.242 63.100 -0.050 0.000 0.761 101 P CB 0.818 32.489 31.700 -0.049 0.000 0.785 102 G N 1.854 110.641 108.800 -0.022 0.000 2.194 102 G HA2 -0.163 3.790 3.960 -0.011 0.000 0.236 102 G HA3 -0.163 3.790 3.960 -0.011 0.000 0.236 102 G C -0.142 174.753 174.900 -0.008 0.000 0.987 102 G CA -0.333 44.760 45.100 -0.011 0.000 0.635 102 G HN 0.497 nan 8.290 nan 0.000 0.520 103 D N 0.784 121.176 120.400 -0.014 0.000 2.228 103 D HA 0.627 5.260 4.640 -0.011 0.000 0.247 103 D C 0.193 176.488 176.300 -0.009 0.000 0.995 103 D CA -0.195 53.800 54.000 -0.009 0.000 0.903 103 D CB 1.233 42.026 40.800 -0.012 0.000 1.205 103 D HN 0.466 nan 8.370 nan 0.000 0.459 104 E N 0.023 120.220 120.200 -0.004 0.000 2.256 104 E HA 0.587 4.930 4.350 -0.011 0.000 0.267 104 E C -0.998 175.596 176.600 -0.009 0.000 0.892 104 E CA -1.011 55.386 56.400 -0.005 0.000 0.775 104 E CB 2.648 32.348 29.700 -0.001 0.000 1.207 104 E HN 0.034 nan 8.360 nan 0.000 0.420 105 V N 2.202 122.107 119.914 -0.015 0.000 2.588 105 V HA 0.262 4.375 4.120 -0.011 0.000 0.304 105 V C -0.294 175.785 176.094 -0.024 0.000 1.042 105 V CA -0.918 61.367 62.300 -0.025 0.000 0.877 105 V CB 1.921 33.719 31.823 -0.042 0.000 0.996 105 V HN 0.432 nan 8.190 nan 0.000 0.425 106 V N 5.291 125.187 119.914 -0.031 0.000 2.432 106 V HA 0.475 4.589 4.120 -0.011 0.000 0.275 106 V C -0.093 175.983 176.094 -0.031 0.000 1.043 106 V CA -0.255 62.030 62.300 -0.025 0.000 0.925 106 V CB 1.599 33.400 31.823 -0.037 0.000 0.985 106 V HN 0.620 nan 8.190 nan 0.000 0.466 107 V N 6.195 126.112 119.914 0.005 0.000 2.656 107 V HA 0.479 4.592 4.120 -0.011 0.000 0.307 107 V C -0.190 175.969 176.094 0.108 0.000 1.051 107 V CA -0.677 61.644 62.300 0.035 0.000 0.893 107 V CB 2.037 33.897 31.823 0.061 0.000 0.999 107 V HN 0.628 nan 8.190 nan 0.000 0.426 108 L N 3.385 124.686 121.223 0.130 0.000 2.312 108 L HA 0.571 4.905 4.340 -0.011 0.000 0.281 108 L C 0.175 177.168 176.870 0.205 0.000 1.070 108 L CA -0.170 54.757 54.840 0.145 0.000 0.805 108 L CB 1.198 43.331 42.059 0.123 0.000 1.174 108 L HN 0.676 nan 8.230 nan 0.000 0.434 109 E N 4.761 125.033 120.200 0.120 0.000 2.183 109 E HA 0.383 4.726 4.350 -0.011 0.000 0.271 109 E C -2.407 174.046 176.600 -0.245 0.000 0.919 109 E CA -2.142 54.216 56.400 -0.069 0.000 0.781 109 E CB 1.972 31.677 29.700 0.008 0.000 1.140 109 E HN 0.267 nan 8.360 nan 0.000 0.402 110 P HA 0.039 nan 4.420 nan 0.000 0.271 110 P C -0.980 176.088 177.300 -0.386 0.000 1.216 110 P CA 0.085 62.642 63.100 -0.904 0.000 0.776 110 P CB 0.203 31.353 31.700 -0.917 0.000 0.881 111 F N 1.151 121.074 119.950 -0.046 0.000 2.575 111 F HA 0.632 5.153 4.527 -0.010 0.000 0.330 111 F C -0.401 175.453 175.800 0.090 0.000 1.056 111 F CA -2.503 55.560 58.000 0.104 0.000 0.964 111 F CB 0.226 39.336 39.000 0.183 0.000 1.258 111 F HN 0.176 nan 8.300 nan 0.000 0.484 112 F N 2.397 122.323 119.950 -0.041 0.000 2.389 112 F HA 0.193 4.712 4.527 -0.012 0.000 0.337 112 F C 1.633 177.297 175.800 -0.227 0.000 1.112 112 F CA -0.514 57.319 58.000 -0.279 0.000 1.192 112 F CB 0.860 39.435 39.000 -0.708 0.000 1.185 112 F HN 0.746 nan 8.300 nan 0.000 0.552 113 D N 2.869 122.752 120.400 -0.862 0.000 2.263 113 D HA -0.200 4.434 4.640 -0.011 0.000 0.208 113 D C 1.667 177.698 176.300 -0.449 0.000 0.971 113 D CA 1.758 55.452 54.000 -0.510 0.000 0.867 113 D CB -0.946 39.614 40.800 -0.400 0.000 0.929 113 D HN 0.355 nan 8.370 nan 0.000 0.492 114 V N -2.463 117.122 119.914 -0.548 0.000 3.306 114 V HA -0.038 4.075 4.120 -0.011 0.000 0.264 114 V C 1.973 178.122 176.094 0.091 0.000 1.149 114 V CA 0.264 62.489 62.300 -0.125 0.000 1.143 114 V CB -1.050 30.809 31.823 0.060 0.000 0.767 114 V HN -0.104 nan 8.190 nan 0.000 0.476 115 Y N 0.885 121.184 120.300 -0.002 0.000 2.070 115 Y HA -0.089 4.454 4.550 -0.011 0.000 0.280 115 Y C 2.349 178.182 175.900 -0.111 0.000 1.148 115 Y CA 1.416 59.499 58.100 -0.028 0.000 1.125 115 Y CB -1.345 37.108 38.460 -0.012 0.000 0.975 115 Y HN 0.258 nan 8.280 nan 0.000 0.492 116 L N -0.278 120.894 121.223 -0.085 0.000 2.017 116 L HA -0.114 4.219 4.340 -0.011 0.000 0.208 116 L C -0.360 176.508 176.870 -0.004 0.000 1.073 116 L CA 1.972 56.733 54.840 -0.132 0.000 0.745 116 L CB -2.200 39.662 42.059 -0.328 0.000 0.894 116 L HN 0.113 nan 8.230 nan 0.000 0.432 117 P HA -0.120 nan 4.420 nan 0.000 0.215 117 P C 0.979 178.383 177.300 0.174 0.000 1.153 117 P CA 1.259 64.413 63.100 0.091 0.000 0.853 117 P CB 0.036 31.764 31.700 0.048 0.000 0.788 118 D N -0.804 119.678 120.400 0.136 0.000 2.144 118 D HA -0.113 4.520 4.640 -0.011 0.000 0.199 118 D C 1.996 178.302 176.300 0.011 0.000 0.984 118 D CA 1.501 55.560 54.000 0.098 0.000 0.834 118 D CB -0.798 40.061 40.800 0.097 0.000 0.955 118 D HN 0.055 nan 8.370 nan 0.000 0.465 119 A N 0.290 123.130 122.820 0.035 0.000 1.898 119 A HA -0.142 4.171 4.320 -0.011 0.000 0.216 119 A C 2.124 179.726 177.584 0.031 0.000 1.181 119 A CA 0.990 53.028 52.037 0.002 0.000 0.620 119 A CB -0.999 18.007 19.000 0.010 0.000 0.819 119 A HN 0.281 nan 8.150 nan 0.000 0.442 120 F N 0.661 120.589 119.950 -0.038 0.000 2.102 120 F HA -0.120 4.401 4.527 -0.011 0.000 0.298 120 F C 1.797 177.587 175.800 -0.016 0.000 1.105 120 F CA 1.755 59.742 58.000 -0.022 0.000 1.239 120 F CB -0.226 38.767 39.000 -0.011 0.000 0.991 120 F HN 0.118 nan 8.300 nan 0.000 0.474 121 L N 0.093 121.319 121.223 0.005 0.000 2.353 121 L HA -0.141 4.192 4.340 -0.011 0.000 0.220 121 L C 2.409 179.165 176.870 -0.190 0.000 1.133 121 L CA 0.855 55.643 54.840 -0.088 0.000 0.798 121 L CB -0.900 41.251 42.059 0.153 0.000 0.922 121 L HN 0.318 nan 8.230 nan 0.000 0.445 122 A N -0.767 121.934 122.820 -0.199 0.000 2.238 122 A HA 0.340 4.653 4.320 -0.011 0.000 0.210 122 A C 1.780 179.248 177.584 -0.194 0.000 1.179 122 A CA 0.677 52.589 52.037 -0.208 0.000 0.827 122 A CB -0.130 18.745 19.000 -0.208 0.000 0.856 122 A HN 0.466 nan 8.150 nan 0.000 0.488 123 G N -1.911 106.740 108.800 -0.248 0.000 2.159 123 G HA2 0.071 4.024 3.960 -0.011 0.000 0.256 123 G HA3 0.071 4.024 3.960 -0.011 0.000 0.256 123 G C 0.462 175.278 174.900 -0.140 0.000 0.977 123 G CA 0.461 45.423 45.100 -0.230 0.000 0.652 123 G HN 1.520 nan 8.290 nan 0.000 0.531 124 A N -0.485 122.270 122.820 -0.108 0.000 2.242 124 A HA 0.812 5.125 4.320 -0.011 0.000 0.304 124 A C 0.377 177.951 177.584 -0.017 0.000 1.100 124 A CA 0.307 52.310 52.037 -0.057 0.000 0.860 124 A CB 0.822 19.789 19.000 -0.056 0.000 1.168 124 A HN 0.663 nan 8.150 nan 0.000 0.503 125 K N 0.305 120.703 120.400 -0.002 0.000 2.206 125 K HA 0.601 4.914 4.320 -0.011 0.000 0.264 125 K C -0.589 176.020 176.600 0.015 0.000 0.967 125 K CA -0.383 55.916 56.287 0.021 0.000 0.844 125 K CB 1.353 33.866 32.500 0.021 0.000 1.099 125 K HN 0.787 nan 8.250 nan 0.000 0.441 126 A N 4.551 127.385 122.820 0.023 0.000 2.274 126 A HA 0.350 4.663 4.320 -0.011 0.000 0.309 126 A C -0.599 176.998 177.584 0.022 0.000 1.226 126 A CA -0.651 51.393 52.037 0.011 0.000 0.853 126 A CB 0.487 19.485 19.000 -0.003 0.000 1.146 126 A HN 0.871 nan 8.150 nan 0.000 0.518 127 R N 3.328 123.839 120.500 0.020 0.000 2.255 127 R HA 0.558 4.891 4.340 -0.011 0.000 0.326 127 R C -1.330 174.998 176.300 0.046 0.000 0.986 127 R CA -0.452 55.666 56.100 0.030 0.000 0.847 127 R CB 0.502 30.812 30.300 0.017 0.000 1.111 127 R HN 0.738 nan 8.270 nan 0.000 0.452 128 L N 4.805 126.072 121.223 0.074 0.000 2.292 128 L HA 0.412 4.745 4.340 -0.011 0.000 0.284 128 L C -0.570 176.359 176.870 0.098 0.000 1.065 128 L CA -0.924 53.983 54.840 0.112 0.000 0.806 128 L CB 1.783 43.943 42.059 0.169 0.000 1.175 128 L HN 0.365 nan 8.230 nan 0.000 0.431 129 V N 4.284 124.256 119.914 0.097 0.000 2.350 129 V HA 0.350 4.463 4.120 -0.011 0.000 0.285 129 V C 0.129 176.288 176.094 0.107 0.000 1.014 129 V CA -0.613 61.736 62.300 0.083 0.000 0.831 129 V CB 1.623 33.477 31.823 0.051 0.000 1.000 129 V HN 0.686 nan 8.190 nan 0.000 0.433 130 R N 4.085 124.658 120.500 0.120 0.000 2.308 130 R HA 0.482 4.815 4.340 -0.011 0.000 0.305 130 R C -0.792 175.599 176.300 0.151 0.000 1.053 130 R CA -0.724 55.466 56.100 0.150 0.000 0.957 130 R CB 0.780 31.194 30.300 0.190 0.000 1.022 130 R HN 0.513 nan 8.270 nan 0.000 0.461 131 L N 3.556 124.883 121.223 0.173 0.000 2.439 131 L HA 0.087 4.420 4.340 -0.011 0.000 0.269 131 L C 0.049 177.051 176.870 0.220 0.000 1.179 131 L CA 0.721 55.684 54.840 0.205 0.000 0.828 131 L CB 0.686 42.890 42.059 0.242 0.000 1.106 131 L HN 0.617 nan 8.230 nan 0.000 0.467 132 D N 2.199 122.694 120.400 0.157 0.000 2.304 132 D HA 0.195 4.828 4.640 -0.011 0.000 0.250 132 D C -0.380 175.927 176.300 0.012 0.000 1.107 132 D CA -0.295 53.757 54.000 0.086 0.000 0.885 132 D CB 1.715 42.547 40.800 0.053 0.000 1.192 132 D HN 0.153 nan 8.370 nan 0.000 0.436 133 L N 3.104 124.272 121.223 -0.093 0.000 2.287 133 L HA 0.198 4.531 4.340 -0.011 0.000 0.280 133 L C 0.402 177.156 176.870 -0.192 0.000 1.055 133 L CA -0.162 54.467 54.840 -0.351 0.000 0.863 133 L CB 0.289 42.102 42.059 -0.410 0.000 1.245 133 L HN 0.369 nan 8.230 nan 0.000 0.432 134 T N 1.634 116.099 114.554 -0.149 0.000 2.910 134 T HA 0.545 4.889 4.350 -0.011 0.000 0.279 134 T C -1.784 172.907 174.700 -0.014 0.000 0.989 134 T CA -1.694 60.374 62.100 -0.053 0.000 0.968 134 T CB 1.104 69.961 68.868 -0.019 0.000 1.135 134 T HN 0.332 nan 8.240 nan 0.000 0.562 135 P HA 0.008 nan 4.420 nan 0.000 0.219 135 P C 0.889 178.218 177.300 0.048 0.000 1.146 135 P CA 0.885 64.002 63.100 0.029 0.000 0.808 135 P CB 0.028 31.736 31.700 0.013 0.000 0.779 136 E N -1.196 119.029 120.200 0.041 0.000 2.435 136 E HA 0.291 4.634 4.350 -0.011 0.000 0.195 136 E C 1.202 177.860 176.600 0.097 0.000 1.029 136 E CA 0.601 57.034 56.400 0.054 0.000 0.865 136 E CB -0.275 29.448 29.700 0.037 0.000 0.833 136 E HN 0.187 nan 8.360 nan 0.000 0.510 137 G N -0.455 108.395 108.800 0.082 0.000 2.318 137 G HA2 -0.125 3.828 3.960 -0.011 0.000 0.367 137 G HA3 -0.125 3.828 3.960 -0.011 0.000 0.367 137 G C -1.109 173.667 174.900 -0.207 0.000 1.260 137 G CA -1.040 44.071 45.100 0.018 0.000 1.055 137 G HN 0.015 nan 8.290 nan 0.000 0.484 138 F N 1.345 121.236 119.950 -0.099 0.000 2.484 138 F HA 0.679 5.199 4.527 -0.012 0.000 0.360 138 F C 1.177 176.954 175.800 -0.038 0.000 1.101 138 F CA 0.705 58.649 58.000 -0.095 0.000 1.251 138 F CB 1.230 40.152 39.000 -0.129 0.000 1.132 138 F HN 0.612 nan 8.300 nan 0.000 0.570 139 R N 3.265 123.869 120.500 0.173 0.000 2.626 139 R HA 0.558 4.891 4.340 -0.011 0.000 0.274 139 R C -2.107 174.288 176.300 0.159 0.000 1.031 139 R CA -1.103 55.075 56.100 0.131 0.000 0.898 139 R CB 1.472 31.819 30.300 0.079 0.000 1.222 139 R HN 0.626 nan 8.270 nan 0.000 0.455 140 L N 3.478 124.813 121.223 0.187 0.000 2.265 140 L HA 0.356 4.689 4.340 -0.011 0.000 0.288 140 L C -0.849 176.089 176.870 0.113 0.000 1.058 140 L CA 0.086 55.038 54.840 0.187 0.000 0.809 140 L CB 1.234 43.458 42.059 0.275 0.000 1.179 140 L HN 0.575 nan 8.230 nan 0.000 0.429 141 D N 4.453 124.905 120.400 0.086 0.000 2.380 141 D HA 0.146 4.779 4.640 -0.011 0.000 0.230 141 D C 1.082 177.404 176.300 0.037 0.000 1.154 141 D CA -0.057 53.977 54.000 0.056 0.000 0.859 141 D CB 0.733 41.564 40.800 0.051 0.000 1.045 141 D HN 0.674 nan 8.370 nan 0.000 0.495 142 L N 2.630 123.868 121.223 0.025 0.000 2.131 142 L HA -0.197 4.137 4.340 -0.011 0.000 0.210 142 L C 2.389 179.259 176.870 0.000 0.000 1.092 142 L CA 1.234 56.077 54.840 0.004 0.000 0.759 142 L CB -0.475 41.582 42.059 -0.002 0.000 0.903 142 L HN 0.410 nan 8.230 nan 0.000 0.435 143 S N -0.069 115.636 115.700 0.009 0.000 2.402 143 S HA -0.114 4.349 4.470 -0.011 0.000 0.229 143 S C 2.168 176.772 174.600 0.007 0.000 1.021 143 S CA 0.732 58.937 58.200 0.008 0.000 0.974 143 S CB -0.362 62.846 63.200 0.013 0.000 0.800 143 S HN 0.356 nan 8.310 nan 0.000 0.484 144 A N 1.891 124.720 122.820 0.014 0.000 1.898 144 A HA 0.129 4.442 4.320 -0.011 0.000 0.216 144 A C 2.208 179.795 177.584 0.005 0.000 1.181 144 A CA 1.431 53.479 52.037 0.018 0.000 0.620 144 A CB -0.851 18.169 19.000 0.034 0.000 0.819 144 A HN 0.493 nan 8.150 nan 0.000 0.442 145 L N 0.166 121.386 121.223 -0.004 0.000 2.017 145 L HA -0.138 4.195 4.340 -0.011 0.000 0.208 145 L C 2.233 179.070 176.870 -0.055 0.000 1.073 145 L CA 2.707 57.531 54.840 -0.028 0.000 0.745 145 L CB -0.744 41.291 42.059 -0.040 0.000 0.894 145 L HN 0.594 nan 8.230 nan 0.000 0.432 146 E N -0.461 119.708 120.200 -0.051 0.000 2.118 146 E HA -0.259 4.084 4.350 -0.011 0.000 0.195 146 E C 1.904 178.468 176.600 -0.060 0.000 0.992 146 E CA 1.348 57.705 56.400 -0.071 0.000 0.804 146 E CB -0.021 29.661 29.700 -0.030 0.000 0.741 146 E HN 0.515 nan 8.360 nan 0.000 0.458 147 K N -0.500 119.884 120.400 -0.027 0.000 2.504 147 K HA 0.015 4.329 4.320 -0.011 0.000 0.195 147 K C 1.557 178.147 176.600 -0.016 0.000 1.036 147 K CA 0.542 56.821 56.287 -0.012 0.000 0.984 147 K CB 0.305 32.807 32.500 0.003 0.000 0.788 147 K HN 0.083 nan 8.250 nan 0.000 0.488 148 A N 0.890 123.692 122.820 -0.031 0.000 2.195 148 A HA 0.129 4.442 4.320 -0.011 0.000 0.210 148 A C 0.737 178.294 177.584 -0.045 0.000 1.165 148 A CA -0.039 51.983 52.037 -0.025 0.000 0.806 148 A CB -0.009 18.981 19.000 -0.017 0.000 0.847 148 A HN 0.095 nan 8.150 nan 0.000 0.482 149 L N 1.573 122.742 121.223 -0.089 0.000 2.380 149 L HA 0.360 4.693 4.340 -0.011 0.000 0.273 149 L C 0.679 177.523 176.870 -0.044 0.000 1.138 149 L CA -0.084 54.682 54.840 -0.123 0.000 0.832 149 L CB 1.006 42.863 42.059 -0.337 0.000 1.124 149 L HN 0.397 nan 8.230 nan 0.000 0.454 150 T N -1.017 113.530 114.554 -0.012 0.000 2.887 150 T HA 0.431 4.775 4.350 -0.011 0.000 0.292 150 T C -2.313 172.413 174.700 0.044 0.000 1.087 150 T CA -1.735 60.379 62.100 0.023 0.000 1.009 150 T CB 1.940 70.816 68.868 0.014 0.000 1.203 150 T HN 0.204 nan 8.240 nan 0.000 0.518 151 P HA 0.109 nan 4.420 nan 0.000 0.225 151 P C 1.095 178.412 177.300 0.028 0.000 1.148 151 P CA 0.603 63.728 63.100 0.042 0.000 0.779 151 P CB 0.085 31.802 31.700 0.028 0.000 0.780 152 R N -1.660 118.852 120.500 0.021 0.000 2.297 152 R HA 0.117 4.450 4.340 -0.011 0.000 0.197 152 R C 0.305 176.612 176.300 0.011 0.000 0.943 152 R CA 0.339 56.447 56.100 0.013 0.000 1.038 152 R CB -0.383 29.922 30.300 0.010 0.000 0.957 152 R HN 0.134 nan 8.270 nan 0.000 0.484 153 T N 0.966 115.527 114.554 0.011 0.000 2.834 153 T HA 0.133 4.476 4.350 -0.011 0.000 0.298 153 T C 0.787 175.494 174.700 0.012 0.000 0.966 153 T CA 0.103 62.205 62.100 0.003 0.000 1.141 153 T CB 1.342 70.200 68.868 -0.018 0.000 0.905 153 T HN 0.060 nan 8.240 nan 0.000 0.535 154 R N 1.104 121.617 120.500 0.021 0.000 2.394 154 R HA 0.559 4.893 4.340 -0.011 0.000 0.220 154 R C 0.344 176.700 176.300 0.093 0.000 0.887 154 R CA 0.123 56.253 56.100 0.050 0.000 1.034 154 R CB 0.832 31.178 30.300 0.076 0.000 1.179 154 R HN 0.731 nan 8.270 nan 0.000 0.561 155 A N -0.100 122.755 122.820 0.060 0.000 2.606 155 A HA 0.645 4.958 4.320 -0.011 0.000 0.293 155 A C -1.942 175.648 177.584 0.009 0.000 1.082 155 A CA -0.607 51.475 52.037 0.075 0.000 0.685 155 A CB 1.287 20.339 19.000 0.086 0.000 1.284 155 A HN 0.092 nan 8.150 nan 0.000 0.408 156 L N 1.222 122.446 121.223 0.002 0.000 2.410 156 L HA 0.732 5.065 4.340 -0.011 0.000 0.270 156 L C -1.660 175.170 176.870 -0.067 0.000 0.983 156 L CA -0.780 54.035 54.840 -0.043 0.000 0.822 156 L CB 1.509 43.537 42.059 -0.052 0.000 1.285 156 L HN 0.773 nan 8.230 nan 0.000 0.409 157 L N 5.891 127.044 121.223 -0.117 0.000 2.280 157 L HA 0.557 4.890 4.340 -0.011 0.000 0.287 157 L C -1.168 175.594 176.870 -0.179 0.000 1.023 157 L CA -0.460 54.263 54.840 -0.195 0.000 0.819 157 L CB 1.264 43.113 42.059 -0.349 0.000 1.212 157 L HN 0.641 nan 8.230 nan 0.000 0.420 158 L N 4.903 126.044 121.223 -0.137 0.000 2.342 158 L HA 0.522 4.855 4.340 -0.011 0.000 0.271 158 L C -0.409 176.469 176.870 0.014 0.000 1.008 158 L CA -0.553 54.237 54.840 -0.085 0.000 0.818 158 L CB 2.063 44.035 42.059 -0.146 0.000 1.296 158 L HN 0.587 nan 8.230 nan 0.000 0.427 159 N N 0.458 119.250 118.700 0.153 0.000 2.504 159 N HA 0.389 5.122 4.740 -0.011 0.000 0.280 159 N C -1.650 174.031 175.510 0.285 0.000 1.052 159 N CA -0.032 53.149 53.050 0.217 0.000 0.887 159 N CB 1.751 40.422 38.487 0.306 0.000 1.323 159 N HN 0.573 nan 8.380 nan 0.000 0.509 160 T N 3.281 117.975 114.554 0.234 0.000 3.172 160 T HA 0.387 4.730 4.350 -0.011 0.000 0.320 160 T C -2.965 171.826 174.700 0.153 0.000 1.085 160 T CA -1.048 61.192 62.100 0.234 0.000 1.052 160 T CB 1.526 70.644 68.868 0.418 0.000 1.107 160 T HN 0.257 nan 8.240 nan 0.000 0.458 161 P HA 0.186 nan 4.420 nan 0.000 0.266 161 P C -0.490 176.837 177.300 0.045 0.000 1.195 161 P CA -0.173 62.949 63.100 0.037 0.000 0.768 161 P CB 0.353 32.049 31.700 -0.007 0.000 0.838 162 M N 3.604 123.187 119.600 -0.028 0.000 2.180 162 M HA 0.200 4.673 4.480 -0.011 0.000 0.358 162 M C -0.024 176.226 176.300 -0.083 0.000 1.233 162 M CA -0.274 55.014 55.300 -0.020 0.000 1.114 162 M CB 0.313 32.869 32.600 -0.074 0.000 1.594 162 M HN 0.190 nan 8.290 nan 0.000 0.467 163 N N 6.482 125.156 118.700 -0.044 0.000 2.419 163 N HA 0.424 5.158 4.740 -0.011 0.000 0.277 163 N C -2.329 173.044 175.510 -0.227 0.000 1.006 163 N CA -2.086 50.888 53.050 -0.127 0.000 0.923 163 N CB 1.539 40.023 38.487 -0.004 0.000 1.140 163 N HN 0.395 nan 8.380 nan 0.000 0.488 164 P HA 0.075 nan 4.420 nan 0.000 0.261 164 P C 0.721 177.786 177.300 -0.391 0.000 1.268 164 P CA 0.438 63.163 63.100 -0.625 0.000 0.833 164 P CB 0.201 31.170 31.700 -1.218 0.000 1.231 165 T N -4.159 110.131 114.554 -0.439 0.000 2.951 165 T HA 0.132 4.475 4.350 -0.011 0.000 0.268 165 T C 1.704 176.318 174.700 -0.143 0.000 1.073 165 T CA 1.197 63.037 62.100 -0.434 0.000 1.134 165 T CB -1.257 67.133 68.868 -0.796 0.000 0.884 165 T HN 0.198 nan 8.240 nan 0.000 0.479 166 G N 0.749 109.483 108.800 -0.110 0.000 2.162 166 G HA2 -0.202 3.751 3.960 -0.011 0.000 0.260 166 G HA3 -0.202 3.751 3.960 -0.011 0.000 0.260 166 G C -0.136 174.733 174.900 -0.052 0.000 0.976 166 G CA 0.135 45.220 45.100 -0.024 0.000 0.655 166 G HN 0.735 nan 8.290 nan 0.000 0.533 167 L N 0.871 122.001 121.223 -0.154 0.000 2.426 167 L HA 0.622 4.955 4.340 -0.011 0.000 0.271 167 L C 0.315 176.998 176.870 -0.311 0.000 1.169 167 L CA -0.216 54.476 54.840 -0.246 0.000 0.836 167 L CB 1.581 43.398 42.059 -0.403 0.000 1.112 167 L HN 0.096 nan 8.230 nan 0.000 0.465 168 V N 5.813 125.561 119.914 -0.278 0.000 2.376 168 V HA 0.306 4.419 4.120 -0.011 0.000 0.287 168 V C -0.397 175.565 176.094 -0.221 0.000 1.015 168 V CA -0.614 61.572 62.300 -0.190 0.000 0.834 168 V CB 1.019 32.806 31.823 -0.060 0.000 1.001 168 V HN 0.474 nan 8.190 nan 0.000 0.428 169 F N 3.192 123.150 119.950 0.014 0.000 2.538 169 F HA 0.472 4.993 4.527 -0.010 0.000 0.371 169 F C 1.353 177.150 175.800 -0.005 0.000 1.087 169 F CA 0.550 58.552 58.000 0.004 0.000 1.250 169 F CB 0.556 39.555 39.000 -0.001 0.000 1.110 169 F HN 0.546 nan 8.300 nan 0.000 0.570 170 G N 2.059 110.949 108.800 0.150 0.000 2.580 170 G HA2 0.132 4.085 3.960 -0.011 0.000 0.278 170 G HA3 0.132 4.085 3.960 -0.011 0.000 0.278 170 G C 0.724 175.641 174.900 0.029 0.000 1.212 170 G CA -0.445 44.700 45.100 0.074 0.000 0.939 170 G HN 0.763 nan 8.290 nan 0.000 0.513 171 E N -0.317 119.888 120.200 0.008 0.000 2.085 171 E HA -0.179 4.165 4.350 -0.011 0.000 0.194 171 E C 2.463 178.923 176.600 -0.233 0.000 0.994 171 E CA 1.098 57.444 56.400 -0.090 0.000 0.801 171 E CB -0.012 29.727 29.700 0.064 0.000 0.743 171 E HN 0.539 nan 8.360 nan 0.000 0.453 172 R N 0.192 120.631 120.500 -0.103 0.000 2.091 172 R HA -0.156 4.178 4.340 -0.011 0.000 0.238 172 R C 2.332 178.560 176.300 -0.121 0.000 1.136 172 R CA 1.835 57.877 56.100 -0.097 0.000 0.959 172 R CB -0.200 30.081 30.300 -0.031 0.000 0.856 172 R HN 0.323 nan 8.270 nan 0.000 0.437 173 E N 0.291 120.447 120.200 -0.074 0.000 2.107 173 E HA -0.136 4.207 4.350 -0.011 0.000 0.191 173 E C 1.843 178.344 176.600 -0.165 0.000 0.982 173 E CA 0.608 56.973 56.400 -0.059 0.000 0.809 173 E CB 0.007 29.758 29.700 0.085 0.000 0.756 173 E HN 0.071 nan 8.360 nan 0.000 0.459 174 L N 1.660 122.737 121.223 -0.243 0.000 2.046 174 L HA -0.171 4.162 4.340 -0.011 0.000 0.208 174 L C 2.074 178.651 176.870 -0.489 0.000 1.077 174 L CA 1.697 56.325 54.840 -0.355 0.000 0.747 174 L CB -0.719 41.086 42.059 -0.423 0.000 0.896 174 L HN 0.111 nan 8.230 nan 0.000 0.432 175 E N -0.836 118.963 120.200 -0.668 0.000 2.077 175 E HA -0.219 4.124 4.350 -0.011 0.000 0.193 175 E C 2.226 178.707 176.600 -0.197 0.000 0.989 175 E CA 1.163 57.282 56.400 -0.468 0.000 0.800 175 E CB -0.174 29.306 29.700 -0.367 0.000 0.746 175 E HN 0.505 nan 8.360 nan 0.000 0.452 176 A N 1.270 123.991 122.820 -0.165 0.000 1.877 176 A HA -0.172 4.141 4.320 -0.011 0.000 0.216 176 A C 2.181 179.715 177.584 -0.084 0.000 1.186 176 A CA 1.098 53.079 52.037 -0.093 0.000 0.620 176 A CB -0.593 18.362 19.000 -0.075 0.000 0.822 176 A HN 0.135 nan 8.150 nan 0.000 0.443 177 I N -0.208 120.292 120.570 -0.117 0.000 2.226 177 I HA -0.285 3.878 4.170 -0.011 0.000 0.245 177 I C 2.967 179.048 176.117 -0.060 0.000 1.100 177 I CA 1.007 62.245 61.300 -0.104 0.000 1.374 177 I CB -0.373 37.536 38.000 -0.151 0.000 1.057 177 I HN 0.366 nan 8.210 nan 0.000 0.413 178 A N 1.024 123.813 122.820 -0.052 0.000 1.877 178 A HA -0.211 4.102 4.320 -0.011 0.000 0.216 178 A C 2.421 180.013 177.584 0.012 0.000 1.186 178 A CA 1.527 53.568 52.037 0.007 0.000 0.620 178 A CB -0.583 18.456 19.000 0.064 0.000 0.822 178 A HN 0.311 nan 8.150 nan 0.000 0.443 179 R N -0.634 119.866 120.500 0.001 0.000 2.081 179 R HA -0.066 4.267 4.340 -0.011 0.000 0.235 179 R C 2.103 178.424 176.300 0.036 0.000 1.131 179 R CA 1.478 57.587 56.100 0.015 0.000 0.960 179 R CB -0.578 29.726 30.300 0.006 0.000 0.856 179 R HN 0.513 nan 8.270 nan 0.000 0.436 180 L N 0.131 121.372 121.223 0.031 0.000 2.046 180 L HA -0.145 4.188 4.340 -0.011 0.000 0.208 180 L C 2.701 179.633 176.870 0.104 0.000 1.077 180 L CA 1.181 56.068 54.840 0.077 0.000 0.747 180 L CB -0.571 41.481 42.059 -0.012 0.000 0.896 180 L HN 0.248 nan 8.230 nan 0.000 0.432 181 A N 0.041 122.880 122.820 0.033 0.000 1.933 181 A HA -0.201 4.112 4.320 -0.011 0.000 0.218 181 A C 2.374 179.973 177.584 0.025 0.000 1.175 181 A CA 1.453 53.503 52.037 0.022 0.000 0.628 181 A CB -0.407 18.593 19.000 0.001 0.000 0.814 181 A HN 0.314 nan 8.150 nan 0.000 0.444 182 R N -0.675 119.839 120.500 0.023 0.000 2.062 182 R HA -0.002 4.331 4.340 -0.011 0.000 0.229 182 R C 2.509 178.806 176.300 -0.004 0.000 1.128 182 R CA 1.151 57.252 56.100 0.002 0.000 0.960 182 R CB -0.447 29.856 30.300 0.006 0.000 0.855 182 R HN 0.485 nan 8.270 nan 0.000 0.432 183 A N 0.430 123.261 122.820 0.018 0.000 1.972 183 A HA -0.173 4.140 4.320 -0.011 0.000 0.219 183 A C 1.121 178.599 177.584 -0.177 0.000 1.169 183 A CA 1.529 53.531 52.037 -0.058 0.000 0.635 183 A CB -0.422 18.560 19.000 -0.029 0.000 0.810 183 A HN 0.370 nan 8.150 nan 0.000 0.446 184 H N -1.742 117.303 119.070 -0.041 0.000 2.594 184 H HA 0.222 4.771 4.556 -0.011 0.000 0.279 184 H C -0.202 175.085 175.328 -0.069 0.000 1.042 184 H CA 0.169 56.190 56.048 -0.046 0.000 1.177 184 H CB 0.297 30.036 29.762 -0.038 0.000 1.524 184 H HN 0.423 nan 8.280 nan 0.000 0.537 185 D N 0.953 121.349 120.400 -0.006 0.000 2.735 185 D HA -0.182 4.451 4.640 -0.011 0.000 0.235 185 D C -0.845 175.369 176.300 -0.142 0.000 1.175 185 D CA 0.373 54.319 54.000 -0.089 0.000 0.683 185 D CB -1.129 39.611 40.800 -0.101 0.000 1.008 185 D HN 0.395 nan 8.370 nan 0.000 0.416 186 L N 0.173 121.334 121.223 -0.103 0.000 2.352 186 L HA 0.579 4.912 4.340 -0.011 0.000 0.269 186 L C 0.767 177.552 176.870 -0.141 0.000 1.034 186 L CA -1.123 53.656 54.840 -0.101 0.000 0.806 186 L CB 0.794 42.843 42.059 -0.017 0.000 1.244 186 L HN -0.109 nan 8.230 nan 0.000 0.447 187 F N 1.422 121.370 119.950 -0.003 0.000 2.379 187 F HA 0.477 4.997 4.527 -0.012 0.000 0.332 187 F C 0.043 175.858 175.800 0.025 0.000 1.096 187 F CA -0.322 57.690 58.000 0.020 0.000 1.105 187 F CB 1.114 40.138 39.000 0.040 0.000 1.189 187 F HN 0.113 nan 8.300 nan 0.000 0.515 188 L N 4.875 126.262 121.223 0.272 0.000 2.325 188 L HA 0.513 4.846 4.340 -0.011 0.000 0.281 188 L C -0.782 176.194 176.870 0.177 0.000 1.004 188 L CA -0.434 54.492 54.840 0.143 0.000 0.823 188 L CB 1.591 43.693 42.059 0.073 0.000 1.236 188 L HN 0.438 nan 8.230 nan 0.000 0.415 189 I N 2.253 122.878 120.570 0.092 0.000 2.355 189 I HA 0.246 4.409 4.170 -0.011 0.000 0.288 189 I C 0.020 176.144 176.117 0.011 0.000 0.999 189 I CA -0.098 61.242 61.300 0.066 0.000 1.163 189 I CB 1.886 39.864 38.000 -0.037 0.000 1.316 189 I HN 0.467 nan 8.210 nan 0.000 0.454 190 S N 4.807 120.534 115.700 0.045 0.000 2.566 190 S HA 0.178 4.641 4.470 -0.011 0.000 0.324 190 S C -0.533 174.090 174.600 0.038 0.000 1.081 190 S CA -0.660 57.562 58.200 0.037 0.000 1.105 190 S CB 0.469 63.710 63.200 0.068 0.000 0.981 190 S HN 0.547 nan 8.310 nan 0.000 0.464 191 D N 4.087 124.502 120.400 0.026 0.000 2.402 191 D HA 0.118 4.752 4.640 -0.011 0.000 0.235 191 D C -0.005 176.316 176.300 0.035 0.000 1.226 191 D CA 0.043 54.058 54.000 0.024 0.000 0.918 191 D CB 0.448 41.302 40.800 0.090 0.000 1.043 191 D HN 0.621 nan 8.370 nan 0.000 0.506 192 E N 2.795 123.006 120.200 0.019 0.000 2.723 192 E HA 0.048 4.392 4.350 -0.011 0.000 0.219 192 E C 1.688 178.270 176.600 -0.029 0.000 1.060 192 E CA -0.143 56.288 56.400 0.050 0.000 1.291 192 E CB 0.800 30.579 29.700 0.131 0.000 1.265 192 E HN 0.404 nan 8.360 nan 0.000 0.438 193 V N -1.919 117.888 119.914 -0.179 0.000 2.594 193 V HA -0.209 3.904 4.120 -0.011 0.000 0.253 193 V C 1.142 176.983 176.094 -0.422 0.000 1.069 193 V CA 1.260 63.336 62.300 -0.374 0.000 1.082 193 V CB -0.714 30.765 31.823 -0.573 0.000 0.680 193 V HN 0.336 nan 8.190 nan 0.000 0.469 194 Y N 2.445 122.668 120.300 -0.127 0.000 2.645 194 Y HA 0.241 4.785 4.550 -0.010 0.000 0.307 194 Y C 1.729 177.584 175.900 -0.076 0.000 1.151 194 Y CA -0.474 57.530 58.100 -0.160 0.000 1.291 194 Y CB -0.652 37.667 38.460 -0.235 0.000 1.135 194 Y HN 0.496 nan 8.280 nan 0.000 0.523 195 D N -0.787 119.657 120.400 0.073 0.000 2.311 195 D HA -0.183 4.450 4.640 -0.011 0.000 0.212 195 D C 1.037 177.412 176.300 0.124 0.000 0.972 195 D CA 1.200 55.263 54.000 0.104 0.000 0.887 195 D CB 0.120 40.992 40.800 0.119 0.000 0.915 195 D HN 0.251 nan 8.370 nan 0.000 0.497 196 E N -0.514 119.692 120.200 0.011 0.000 2.498 196 E HA 0.204 4.547 4.350 -0.011 0.000 0.203 196 E C 0.324 176.788 176.600 -0.226 0.000 1.013 196 E CA -0.227 56.102 56.400 -0.118 0.000 0.927 196 E CB 0.844 30.266 29.700 -0.463 0.000 1.012 196 E HN 0.340 nan 8.360 nan 0.000 0.482 197 L N 2.360 123.502 121.223 -0.135 0.000 2.417 197 L HA 0.242 4.575 4.340 -0.011 0.000 0.258 197 L C -1.267 175.344 176.870 -0.431 0.000 1.088 197 L CA -0.606 54.041 54.840 -0.322 0.000 0.975 197 L CB -0.101 41.804 42.059 -0.257 0.000 1.341 197 L HN -0.039 nan 8.230 nan 0.000 0.431 198 Y N -0.153 119.858 120.300 -0.481 0.000 2.576 198 Y HA 0.460 5.003 4.550 -0.012 0.000 0.346 198 Y C -0.716 174.825 175.900 -0.599 0.000 1.018 198 Y CA -1.170 56.613 58.100 -0.528 0.000 1.050 198 Y CB 0.839 39.168 38.460 -0.219 0.000 1.280 198 Y HN 0.141 nan 8.280 nan 0.000 0.474 199 Y N 0.690 121.103 120.300 0.190 0.000 2.445 199 Y HA 0.513 5.059 4.550 -0.007 0.000 0.247 199 Y C 1.140 177.131 175.900 0.152 0.000 1.129 199 Y CA -0.327 57.841 58.100 0.113 0.000 1.251 199 Y CB 0.770 39.275 38.460 0.075 0.000 1.176 199 Y HN 0.939 nan 8.280 nan 0.000 0.522 200 G N -0.228 108.757 108.800 0.308 0.000 3.194 200 G HA2 0.364 4.318 3.960 -0.011 0.000 0.160 200 G HA3 0.364 4.318 3.960 -0.011 0.000 0.160 200 G C -0.825 174.202 174.900 0.212 0.000 1.267 200 G CA -0.594 44.633 45.100 0.213 0.000 0.962 200 G HN -0.024 nan 8.290 nan 0.000 0.612 201 E N 0.116 120.373 120.200 0.095 0.000 2.404 201 E HA 0.375 4.718 4.350 -0.011 0.000 0.261 201 E C 0.361 176.878 176.600 -0.137 0.000 1.074 201 E CA -0.350 56.069 56.400 0.032 0.000 0.917 201 E CB 0.672 30.377 29.700 0.008 0.000 0.965 201 E HN 0.395 nan 8.360 nan 0.000 0.433 202 R N 3.925 124.310 120.500 -0.192 0.000 2.488 202 R HA 0.034 4.367 4.340 -0.011 0.000 0.317 202 R C -2.080 173.970 176.300 -0.418 0.000 0.941 202 R CA -0.748 55.040 56.100 -0.521 0.000 1.076 202 R CB -0.052 30.124 30.300 -0.206 0.000 0.917 202 R HN 0.351 nan 8.270 nan 0.000 0.407 203 P HA 0.136 nan 4.420 nan 0.000 0.274 203 P C -0.831 176.400 177.300 -0.115 0.000 1.237 203 P CA -0.208 62.747 63.100 -0.243 0.000 0.793 203 P CB 0.688 32.255 31.700 -0.221 0.000 0.977 204 R N 1.724 122.232 120.500 0.012 0.000 2.500 204 R HA 0.406 4.739 4.340 -0.011 0.000 0.275 204 R C 0.712 177.097 176.300 0.140 0.000 1.051 204 R CA -0.555 55.601 56.100 0.094 0.000 1.088 204 R CB 0.722 31.177 30.300 0.259 0.000 1.063 204 R HN 0.537 nan 8.270 nan 0.000 0.511 205 R N 1.123 121.699 120.500 0.126 0.000 2.540 205 R HA 0.174 4.507 4.340 -0.011 0.000 0.287 205 R C 1.315 177.759 176.300 0.239 0.000 0.980 205 R CA -0.748 55.445 56.100 0.155 0.000 0.966 205 R CB 1.034 31.409 30.300 0.124 0.000 1.106 205 R HN 0.299 nan 8.270 nan 0.000 0.480 206 L N 3.930 125.292 121.223 0.231 0.000 2.079 206 L HA -0.183 4.151 4.340 -0.011 0.000 0.210 206 L C 2.297 179.298 176.870 0.217 0.000 1.081 206 L CA 1.860 56.854 54.840 0.258 0.000 0.752 206 L CB -0.425 41.711 42.059 0.127 0.000 0.896 206 L HN 0.628 nan 8.230 nan 0.000 0.433 207 R N -0.771 119.806 120.500 0.129 0.000 2.241 207 R HA -0.144 4.190 4.340 -0.011 0.000 0.224 207 R C 1.681 177.983 176.300 0.003 0.000 1.101 207 R CA 1.534 57.675 56.100 0.067 0.000 0.995 207 R CB -0.769 29.572 30.300 0.068 0.000 0.870 207 R HN 0.499 nan 8.270 nan 0.000 0.463 208 E N 0.189 120.343 120.200 -0.077 0.000 2.208 208 E HA -0.089 4.254 4.350 -0.011 0.000 0.193 208 E C 0.999 177.333 176.600 -0.444 0.000 0.988 208 E CA 1.028 57.235 56.400 -0.322 0.000 0.828 208 E CB -0.016 29.350 29.700 -0.557 0.000 0.763 208 E HN 0.457 nan 8.360 nan 0.000 0.478 209 F N -0.475 119.480 119.950 0.009 0.000 2.714 209 F HA 0.278 4.798 4.527 -0.012 0.000 0.294 209 F C 1.052 176.850 175.800 -0.003 0.000 1.120 209 F CA 0.034 58.035 58.000 0.003 0.000 1.398 209 F CB 0.804 39.805 39.000 0.002 0.000 1.120 209 F HN -0.152 nan 8.300 nan 0.000 0.589 210 A N 0.494 123.397 122.820 0.139 0.000 3.415 210 A HA 0.358 4.671 4.320 -0.011 0.000 0.244 210 A C -1.839 175.762 177.584 0.028 0.000 0.988 210 A CA -0.711 51.370 52.037 0.074 0.000 0.991 210 A CB -0.346 18.697 19.000 0.073 0.000 1.240 210 A HN -0.065 nan 8.150 nan 0.000 0.541 211 P HA -0.214 nan 4.420 nan 0.000 0.219 211 P C 1.048 178.331 177.300 -0.028 0.000 1.146 211 P CA 1.495 64.585 63.100 -0.017 0.000 0.808 211 P CB 0.259 31.945 31.700 -0.023 0.000 0.779 212 E N 1.749 121.944 120.200 -0.008 0.000 2.427 212 E HA -0.153 4.191 4.350 -0.011 0.000 0.196 212 E C 1.393 178.017 176.600 0.040 0.000 1.028 212 E CA 0.664 57.071 56.400 0.011 0.000 0.864 212 E CB -0.333 29.376 29.700 0.016 0.000 0.813 212 E HN 0.429 nan 8.360 nan 0.000 0.514 213 R N -0.401 120.097 120.500 -0.003 0.000 2.569 213 R HA 0.299 4.633 4.340 -0.011 0.000 0.422 213 R C -0.486 175.795 176.300 -0.031 0.000 0.980 213 R CA -0.373 55.737 56.100 0.017 0.000 1.164 213 R CB 0.069 30.363 30.300 -0.010 0.000 1.520 213 R HN -0.161 nan 8.270 nan 0.000 0.567 214 T N 1.421 115.889 114.554 -0.144 0.000 2.797 214 T HA 0.489 4.832 4.350 -0.011 0.000 0.279 214 T C -1.105 173.424 174.700 -0.286 0.000 0.991 214 T CA -0.219 61.814 62.100 -0.112 0.000 0.979 214 T CB 1.020 69.880 68.868 -0.012 0.000 0.943 214 T HN 0.061 nan 8.240 nan 0.000 0.444 215 F N 1.887 121.854 119.950 0.028 0.000 2.426 215 F HA 0.396 4.916 4.527 -0.012 0.000 0.348 215 F C 0.935 176.726 175.800 -0.014 0.000 1.124 215 F CA -0.792 57.201 58.000 -0.011 0.000 1.008 215 F CB 1.505 40.466 39.000 -0.065 0.000 1.139 215 F HN 0.363 nan 8.300 nan 0.000 0.452 216 T N 3.767 118.394 114.554 0.122 0.000 2.767 216 T HA 0.534 4.878 4.350 -0.011 0.000 0.284 216 T C -0.289 174.450 174.700 0.065 0.000 0.973 216 T CA -0.555 61.595 62.100 0.083 0.000 0.996 216 T CB 1.359 70.264 68.868 0.063 0.000 0.927 216 T HN 0.196 nan 8.240 nan 0.000 0.456 217 V N 2.625 122.555 119.914 0.027 0.000 2.547 217 V HA 0.877 4.991 4.120 -0.011 0.000 0.299 217 V C 0.636 176.600 176.094 -0.216 0.000 1.040 217 V CA -0.454 61.792 62.300 -0.090 0.000 0.913 217 V CB 1.808 33.574 31.823 -0.095 0.000 0.992 217 V HN 1.060 nan 8.190 nan 0.000 0.449 218 G N 1.739 110.126 108.800 -0.688 0.000 2.680 218 G HA2 0.660 4.613 3.960 -0.011 0.000 0.290 218 G HA3 0.660 4.613 3.960 -0.011 0.000 0.290 218 G C -1.305 172.711 174.900 -1.474 0.000 1.355 218 G CA -0.548 43.940 45.100 -1.019 0.000 0.903 218 G HN 0.753 nan 8.290 nan 0.000 0.474 219 S N -1.213 113.792 115.700 -1.158 0.000 2.619 219 S HA 0.562 5.026 4.470 -0.011 0.000 0.280 219 S C 0.964 175.312 174.600 -0.420 0.000 1.150 219 S CA 0.452 58.189 58.200 -0.771 0.000 0.978 219 S CB 1.440 64.372 63.200 -0.446 0.000 1.041 219 S HN 1.518 nan 8.310 nan 0.000 0.485 220 A N 4.164 126.901 122.820 -0.138 0.000 1.969 220 A HA 0.183 4.496 4.320 -0.011 0.000 0.218 220 A C 2.030 179.660 177.584 0.075 0.000 1.169 220 A CA 1.786 53.952 52.037 0.214 0.000 0.635 220 A CB -1.281 17.919 19.000 0.334 0.000 0.810 220 A HN 1.149 nan 8.150 nan 0.000 0.445 221 G N -0.341 108.449 108.800 -0.018 0.000 2.422 221 G HA2 -0.194 3.760 3.960 -0.011 0.000 0.218 221 G HA3 -0.194 3.760 3.960 -0.011 0.000 0.218 221 G C 1.533 176.419 174.900 -0.023 0.000 1.146 221 G CA 0.940 46.012 45.100 -0.048 0.000 0.769 221 G HN 0.398 nan 8.290 nan 0.000 0.547 222 K N -0.000 120.346 120.400 -0.089 0.000 2.400 222 K HA 0.175 4.488 4.320 -0.011 0.000 0.194 222 K C 2.377 178.970 176.600 -0.012 0.000 1.033 222 K CA 0.037 56.244 56.287 -0.133 0.000 1.021 222 K CB 0.139 32.332 32.500 -0.512 0.000 0.808 222 K HN 0.258 nan 8.250 nan 0.000 0.505 223 R N 0.047 120.598 120.500 0.084 0.000 2.128 223 R HA 0.206 4.539 4.340 -0.011 0.000 0.211 223 R C 1.382 177.939 176.300 0.427 0.000 1.067 223 R CA 0.484 56.738 56.100 0.257 0.000 1.010 223 R CB 0.263 30.773 30.300 0.349 0.000 0.922 223 R HN 0.042 nan 8.270 nan 0.000 0.457 224 L N 1.336 122.734 121.223 0.291 0.000 2.965 224 L HA 0.199 4.532 4.340 -0.011 0.000 0.254 224 L C -0.464 176.466 176.870 0.101 0.000 1.220 224 L CA -0.114 54.864 54.840 0.230 0.000 1.023 224 L CB 0.422 42.517 42.059 0.059 0.000 1.355 224 L HN 0.097 nan 8.230 nan 0.000 0.545 225 E N 0.323 120.621 120.200 0.163 0.000 2.297 225 E HA -0.242 4.101 4.350 -0.011 0.000 0.228 225 E C 0.326 176.889 176.600 -0.061 0.000 1.213 225 E CA 0.774 57.244 56.400 0.118 0.000 0.712 225 E CB -1.188 28.616 29.700 0.173 0.000 1.202 225 E HN 0.529 nan 8.360 nan 0.000 0.376 226 A N 0.270 122.987 122.820 -0.172 0.000 3.410 226 A HA 0.337 4.650 4.320 -0.011 0.000 0.276 226 A C 1.296 178.711 177.584 -0.282 0.000 0.995 226 A CA 0.225 51.987 52.037 -0.458 0.000 0.934 226 A CB 0.098 18.431 19.000 -1.112 0.000 1.191 226 A HN 0.244 nan 8.150 nan 0.000 0.511 227 T N -2.741 111.755 114.554 -0.096 0.000 2.849 227 T HA -0.096 4.247 4.350 -0.011 0.000 0.270 227 T C 1.588 176.280 174.700 -0.013 0.000 1.066 227 T CA 1.937 64.017 62.100 -0.034 0.000 1.130 227 T CB -0.196 68.676 68.868 0.007 0.000 0.864 227 T HN 0.767 nan 8.240 nan 0.000 0.481 228 G N -0.988 107.823 108.800 0.017 0.000 3.026 228 G HA2 0.141 4.095 3.960 -0.011 0.000 0.208 228 G HA3 0.141 4.095 3.960 -0.011 0.000 0.208 228 G C 0.768 175.823 174.900 0.259 0.000 1.169 228 G CA -0.261 44.894 45.100 0.091 0.000 0.788 228 G HN 0.457 nan 8.290 nan 0.000 0.533 229 Y N 0.651 120.941 120.300 -0.016 0.000 2.457 229 Y HA 0.100 4.644 4.550 -0.011 0.000 0.292 229 Y C 1.187 177.092 175.900 0.008 0.000 1.125 229 Y CA -0.224 57.877 58.100 0.001 0.000 1.254 229 Y CB 0.269 38.740 38.460 0.018 0.000 1.012 229 Y HN 0.117 nan 8.280 nan 0.000 0.555 230 R N -0.624 119.969 120.500 0.155 0.000 3.267 230 R HA -0.123 4.210 4.340 -0.011 0.000 0.254 230 R C -1.336 175.016 176.300 0.086 0.000 0.993 230 R CA 0.236 56.385 56.100 0.080 0.000 0.670 230 R CB -3.012 27.320 30.300 0.053 0.000 1.125 230 R HN 0.054 nan 8.270 nan 0.000 0.434 231 V N -0.529 119.448 119.914 0.104 0.000 2.443 231 V HA 0.850 4.963 4.120 -0.011 0.000 0.293 231 V C 0.939 177.077 176.094 0.072 0.000 1.021 231 V CA -0.045 62.334 62.300 0.131 0.000 0.848 231 V CB 2.200 34.149 31.823 0.210 0.000 0.998 231 V HN 0.570 nan 8.190 nan 0.000 0.424 232 G N 3.325 112.146 108.800 0.036 0.000 3.022 232 G HA2 0.878 4.831 3.960 -0.011 0.000 0.284 232 G HA3 0.878 4.831 3.960 -0.011 0.000 0.284 232 G C -1.870 173.063 174.900 0.055 0.000 1.375 232 G CA -0.613 44.368 45.100 -0.199 0.000 0.902 232 G HN 0.958 nan 8.290 nan 0.000 0.538 233 W N -1.582 119.716 121.300 -0.003 0.000 3.066 233 W HA 0.764 5.417 4.660 -0.012 0.000 0.330 233 W C -1.812 174.675 176.519 -0.053 0.000 1.253 233 W CA -1.394 55.934 57.345 -0.027 0.000 1.187 233 W CB 0.812 30.255 29.460 -0.029 0.000 1.434 233 W HN 0.462 nan 8.180 nan 0.000 0.572 234 I N 2.406 123.113 120.570 0.228 0.000 2.466 234 I HA 0.516 4.679 4.170 -0.011 0.000 0.289 234 I C -0.873 175.316 176.117 0.119 0.000 1.026 234 I CA -1.399 59.983 61.300 0.137 0.000 1.078 234 I CB 1.920 39.969 38.000 0.081 0.000 1.249 234 I HN 0.279 nan 8.210 nan 0.000 0.429 235 V N 5.101 125.040 119.914 0.041 0.000 2.409 235 V HA 0.878 4.991 4.120 -0.011 0.000 0.291 235 V C 0.314 176.404 176.094 -0.008 0.000 1.020 235 V CA -0.190 62.050 62.300 -0.100 0.000 0.848 235 V CB 1.312 32.856 31.823 -0.465 0.000 0.990 235 V HN 0.985 nan 8.190 nan 0.000 0.430 236 G N 5.092 113.906 108.800 0.023 0.000 2.663 236 G HA2 0.653 4.606 3.960 -0.011 0.000 0.299 236 G HA3 0.653 4.606 3.960 -0.011 0.000 0.299 236 G C -3.401 171.472 174.900 -0.045 0.000 1.372 236 G CA -1.398 43.665 45.100 -0.062 0.000 0.781 236 G HN 0.441 nan 8.290 nan 0.000 0.491 237 P HA 0.090 nan 4.420 nan 0.000 0.261 237 P C 0.799 178.101 177.300 0.003 0.000 1.183 237 P CA 0.015 63.105 63.100 -0.016 0.000 0.761 237 P CB 1.080 32.822 31.700 0.070 0.000 0.785 238 K N 4.541 124.910 120.400 -0.051 0.000 2.127 238 K HA -0.245 4.068 4.320 -0.011 0.000 0.208 238 K C 1.572 178.113 176.600 -0.099 0.000 1.047 238 K CA 1.659 57.914 56.287 -0.053 0.000 0.927 238 K CB -0.004 32.459 32.500 -0.061 0.000 0.716 238 K HN 0.516 nan 8.250 nan 0.000 0.450 239 E N -0.211 119.840 120.200 -0.249 0.000 2.338 239 E HA -0.179 4.165 4.350 -0.011 0.000 0.197 239 E C 1.204 177.599 176.600 -0.341 0.000 1.007 239 E CA 1.048 57.231 56.400 -0.360 0.000 0.849 239 E CB -0.188 29.187 29.700 -0.541 0.000 0.774 239 E HN 0.383 nan 8.360 nan 0.000 0.506 240 F N 0.192 120.199 119.950 0.094 0.000 2.717 240 F HA 0.217 4.737 4.527 -0.011 0.000 0.295 240 F C 2.112 177.966 175.800 0.089 0.000 1.117 240 F CA 0.016 58.092 58.000 0.127 0.000 1.361 240 F CB -0.151 39.016 39.000 0.278 0.000 1.112 240 F HN -0.133 nan 8.300 nan 0.000 0.594 241 M N 0.433 120.166 119.600 0.221 0.000 2.117 241 M HA -0.061 4.412 4.480 -0.011 0.000 0.262 241 M C -0.557 175.772 176.300 0.048 0.000 1.065 241 M CA 1.385 56.763 55.300 0.129 0.000 1.114 241 M CB -2.467 30.185 32.600 0.086 0.000 1.361 241 M HN -0.056 nan 8.290 nan 0.000 0.408 242 P HA -0.128 nan 4.420 nan 0.000 0.215 242 P C 1.550 178.840 177.300 -0.016 0.000 1.153 242 P CA 1.294 64.389 63.100 -0.009 0.000 0.853 242 P CB -0.037 31.657 31.700 -0.009 0.000 0.788 243 R N -0.816 119.695 120.500 0.020 0.000 2.115 243 R HA 0.024 4.358 4.340 -0.011 0.000 0.230 243 R C 2.233 178.514 176.300 -0.033 0.000 1.111 243 R CA 1.053 57.158 56.100 0.009 0.000 0.976 243 R CB -1.513 28.817 30.300 0.050 0.000 0.870 243 R HN 0.213 nan 8.270 nan 0.000 0.445 244 L N -0.731 120.471 121.223 -0.036 0.000 2.093 244 L HA -0.062 4.271 4.340 -0.011 0.000 0.208 244 L C 2.302 179.113 176.870 -0.098 0.000 1.085 244 L CA 1.275 56.065 54.840 -0.083 0.000 0.755 244 L CB -0.557 41.451 42.059 -0.084 0.000 0.904 244 L HN 0.204 nan 8.230 nan 0.000 0.435 245 A N 0.365 123.128 122.820 -0.096 0.000 1.930 245 A HA -0.102 4.211 4.320 -0.011 0.000 0.217 245 A C 2.392 179.834 177.584 -0.237 0.000 1.175 245 A CA 1.626 53.573 52.037 -0.149 0.000 0.627 245 A CB -1.124 17.797 19.000 -0.132 0.000 0.815 245 A HN 0.432 nan 8.150 nan 0.000 0.443 246 G N -0.988 107.687 108.800 -0.209 0.000 2.408 246 G HA2 -0.162 3.791 3.960 -0.011 0.000 0.217 246 G HA3 -0.162 3.791 3.960 -0.011 0.000 0.217 246 G C 1.493 176.158 174.900 -0.392 0.000 1.150 246 G CA 1.185 46.102 45.100 -0.305 0.000 0.776 246 G HN 0.343 nan 8.290 nan 0.000 0.542 247 M N 1.034 120.528 119.600 -0.176 0.000 2.156 247 M HA 0.008 4.481 4.480 -0.011 0.000 0.264 247 M C 2.563 178.813 176.300 -0.083 0.000 1.067 247 M CA 1.296 56.564 55.300 -0.054 0.000 1.131 247 M CB -0.758 31.838 32.600 -0.006 0.000 1.368 247 M HN 0.368 nan 8.290 nan 0.000 0.416 248 R N 0.437 120.857 120.500 -0.132 0.000 2.235 248 R HA -0.076 4.257 4.340 -0.011 0.000 0.213 248 R C 1.779 177.969 176.300 -0.183 0.000 1.059 248 R CA 1.154 57.197 56.100 -0.096 0.000 0.997 248 R CB -1.119 29.128 30.300 -0.088 0.000 0.884 248 R HN 0.508 nan 8.270 nan 0.000 0.462 249 Q N 0.328 119.883 119.800 -0.408 0.000 2.124 249 Q HA -0.131 4.203 4.340 -0.011 0.000 0.202 249 Q C 1.070 176.908 176.000 -0.271 0.000 0.977 249 Q CA 1.756 57.223 55.803 -0.560 0.000 0.850 249 Q CB -0.167 28.000 28.738 -0.953 0.000 0.901 249 Q HN 0.678 nan 8.270 nan 0.000 0.429 250 W N 0.037 121.354 121.300 0.029 0.000 2.518 250 W HA -0.045 4.608 4.660 -0.011 0.000 0.273 250 W C 2.442 178.993 176.519 0.053 0.000 1.247 250 W CA 0.818 58.194 57.345 0.051 0.000 1.288 250 W CB 0.013 29.493 29.460 0.034 0.000 1.107 250 W HN 0.280 nan 8.180 nan 0.000 0.586 251 T N -2.786 111.902 114.554 0.223 0.000 2.809 251 T HA -0.071 4.272 4.350 -0.011 0.000 0.260 251 T C 1.522 176.281 174.700 0.097 0.000 1.039 251 T CA 1.420 63.600 62.100 0.132 0.000 1.141 251 T CB -0.510 68.409 68.868 0.085 0.000 0.869 251 T HN 0.056 nan 8.240 nan 0.000 0.437 252 S N -1.452 114.307 115.700 0.099 0.000 2.998 252 S HA 0.360 4.823 4.470 -0.011 0.000 0.256 252 S C 0.684 175.409 174.600 0.208 0.000 0.970 252 S CA 0.168 58.440 58.200 0.121 0.000 1.238 252 S CB -0.448 62.795 63.200 0.071 0.000 1.170 252 S HN 0.390 nan 8.310 nan 0.000 0.663 253 F N 1.312 121.252 119.950 -0.017 0.000 2.555 253 F HA -0.299 4.221 4.527 -0.011 0.000 0.706 253 F C 0.156 175.916 175.800 -0.067 0.000 0.486 253 F CA 1.943 59.898 58.000 -0.076 0.000 0.722 253 F CB -1.456 37.502 39.000 -0.069 0.000 1.605 253 F HN 0.663 nan 8.300 nan 0.000 0.268 254 S N -0.703 115.054 115.700 0.096 0.000 2.565 254 S HA 0.771 5.234 4.470 -0.011 0.000 0.269 254 S C -0.801 173.865 174.600 0.111 0.000 1.153 254 S CA -0.395 57.813 58.200 0.014 0.000 0.835 254 S CB 1.271 64.493 63.200 0.037 0.000 1.122 254 S HN 1.175 nan 8.310 nan 0.000 0.462 255 A N 2.790 125.651 122.820 0.069 0.000 2.366 255 A HA 0.642 4.955 4.320 -0.011 0.000 0.249 255 A C -2.615 175.022 177.584 0.088 0.000 1.084 255 A CA -1.201 50.882 52.037 0.078 0.000 0.794 255 A CB -0.728 18.317 19.000 0.074 0.000 1.034 255 A HN 0.581 nan 8.150 nan 0.000 0.491 256 P HA 0.020 nan 4.420 nan 0.000 0.255 256 P C 0.791 178.112 177.300 0.035 0.000 1.173 256 P CA 0.590 63.712 63.100 0.037 0.000 0.780 256 P CB 0.232 31.930 31.700 -0.004 0.000 0.758 257 T N 6.293 120.873 114.554 0.042 0.000 2.635 257 T HA -0.128 4.216 4.350 -0.011 0.000 0.267 257 T C -0.592 174.118 174.700 0.017 0.000 1.040 257 T CA 2.021 64.145 62.100 0.040 0.000 1.156 257 T CB -1.726 67.167 68.868 0.043 0.000 0.863 257 T HN 0.514 nan 8.240 nan 0.000 0.430 258 P HA 0.018 nan 4.420 nan 0.000 0.220 258 P C 1.362 178.646 177.300 -0.028 0.000 1.148 258 P CA 0.799 63.885 63.100 -0.023 0.000 0.803 258 P CB -0.098 31.573 31.700 -0.048 0.000 0.782 259 L N 0.009 121.205 121.223 -0.046 0.000 2.109 259 L HA -0.041 4.293 4.340 -0.011 0.000 0.207 259 L C 2.864 179.774 176.870 0.066 0.000 1.086 259 L CA 1.679 56.495 54.840 -0.039 0.000 0.760 259 L CB -1.740 40.260 42.059 -0.098 0.000 0.910 259 L HN -0.034 nan 8.230 nan 0.000 0.437 260 Q N -1.014 118.826 119.800 0.066 0.000 2.084 260 Q HA -0.176 4.157 4.340 -0.011 0.000 0.202 260 Q C 2.317 178.364 176.000 0.078 0.000 0.978 260 Q CA 1.596 57.453 55.803 0.091 0.000 0.844 260 Q CB -0.240 28.544 28.738 0.078 0.000 0.898 260 Q HN 0.546 nan 8.270 nan 0.000 0.426 261 A N 0.975 123.827 122.820 0.054 0.000 1.877 261 A HA -0.135 4.178 4.320 -0.011 0.000 0.216 261 A C 2.293 179.911 177.584 0.057 0.000 1.186 261 A CA 1.773 53.837 52.037 0.046 0.000 0.620 261 A CB -1.233 17.785 19.000 0.030 0.000 0.822 261 A HN 0.487 nan 8.150 nan 0.000 0.443 262 G N -0.719 108.119 108.800 0.062 0.000 2.418 262 G HA2 -0.090 3.863 3.960 -0.011 0.000 0.217 262 G HA3 -0.090 3.863 3.960 -0.011 0.000 0.217 262 G C 1.513 176.483 174.900 0.116 0.000 1.158 262 G CA 1.185 46.334 45.100 0.082 0.000 0.771 262 G HN 0.315 nan 8.290 nan 0.000 0.545 263 V N 1.657 121.656 119.914 0.143 0.000 2.332 263 V HA -0.167 3.946 4.120 -0.011 0.000 0.248 263 V C 3.346 179.518 176.094 0.130 0.000 1.055 263 V CA 2.026 64.427 62.300 0.169 0.000 1.038 263 V CB -0.894 31.059 31.823 0.216 0.000 0.651 263 V HN 0.484 nan 8.190 nan 0.000 0.450 264 A N -0.113 122.764 122.820 0.095 0.000 1.892 264 A HA -0.302 4.011 4.320 -0.011 0.000 0.218 264 A C 2.207 179.823 177.584 0.054 0.000 1.188 264 A CA 2.324 54.396 52.037 0.058 0.000 0.631 264 A CB -0.545 18.479 19.000 0.041 0.000 0.822 264 A HN 0.555 nan 8.150 nan 0.000 0.447 265 E N -0.016 120.221 120.200 0.063 0.000 2.072 265 E HA -0.006 4.337 4.350 -0.011 0.000 0.191 265 E C 2.050 178.695 176.600 0.075 0.000 0.985 265 E CA 1.509 57.942 56.400 0.054 0.000 0.801 265 E CB -0.511 29.224 29.700 0.057 0.000 0.750 265 E HN 0.461 nan 8.360 nan 0.000 0.452 266 A N 0.414 123.316 122.820 0.136 0.000 1.972 266 A HA -0.126 4.187 4.320 -0.011 0.000 0.219 266 A C 2.274 179.959 177.584 0.168 0.000 1.169 266 A CA 1.297 53.476 52.037 0.237 0.000 0.635 266 A CB -0.681 18.464 19.000 0.243 0.000 0.810 266 A HN 0.340 nan 8.150 nan 0.000 0.446 267 L N -0.902 120.401 121.223 0.133 0.000 2.093 267 L HA -0.201 4.132 4.340 -0.011 0.000 0.208 267 L C 2.557 179.463 176.870 0.060 0.000 1.085 267 L CA 1.688 56.608 54.840 0.134 0.000 0.755 267 L CB -0.399 41.720 42.059 0.100 0.000 0.904 267 L HN 0.369 nan 8.230 nan 0.000 0.435 268 K N -0.350 120.058 120.400 0.013 0.000 2.025 268 K HA -0.111 4.203 4.320 -0.011 0.000 0.207 268 K C 2.033 178.577 176.600 -0.094 0.000 1.049 268 K CA 0.896 57.168 56.287 -0.025 0.000 0.933 268 K CB -0.084 32.402 32.500 -0.023 0.000 0.714 268 K HN 0.096 nan 8.250 nan 0.000 0.438 269 L N 0.903 122.028 121.223 -0.164 0.000 2.093 269 L HA -0.104 4.229 4.340 -0.011 0.000 0.208 269 L C 2.542 179.106 176.870 -0.511 0.000 1.085 269 L CA 1.648 56.279 54.840 -0.349 0.000 0.755 269 L CB -1.532 40.237 42.059 -0.483 0.000 0.904 269 L HN 0.181 nan 8.230 nan 0.000 0.435 270 A N -0.372 122.149 122.820 -0.497 0.000 1.917 270 A HA -0.227 4.087 4.320 -0.011 0.000 0.219 270 A C 2.436 179.824 177.584 -0.327 0.000 1.182 270 A CA 1.380 53.129 52.037 -0.479 0.000 0.633 270 A CB -0.378 18.376 19.000 -0.410 0.000 0.819 270 A HN 0.247 nan 8.150 nan 0.000 0.448 271 R N -0.979 119.433 120.500 -0.147 0.000 2.066 271 R HA -0.008 4.325 4.340 -0.011 0.000 0.232 271 R C 2.182 178.461 176.300 -0.034 0.000 1.131 271 R CA 1.074 57.177 56.100 0.006 0.000 0.955 271 R CB -0.578 29.766 30.300 0.073 0.000 0.851 271 R HN 0.346 nan 8.270 nan 0.000 0.432 272 R N 0.956 121.406 120.500 -0.083 0.000 2.148 272 R HA -0.030 4.303 4.340 -0.011 0.000 0.223 272 R C 1.329 177.575 176.300 -0.090 0.000 1.088 272 R CA 0.920 56.974 56.100 -0.076 0.000 0.985 272 R CB -0.003 30.247 30.300 -0.084 0.000 0.880 272 R HN 0.398 nan 8.270 nan 0.000 0.451 273 E N -0.956 119.156 120.200 -0.146 0.000 2.463 273 E HA 0.122 4.465 4.350 -0.011 0.000 0.193 273 E C 0.434 177.004 176.600 -0.049 0.000 1.041 273 E CA 0.276 56.602 56.400 -0.125 0.000 0.879 273 E CB 0.447 30.007 29.700 -0.233 0.000 0.997 273 E HN 0.381 nan 8.360 nan 0.000 0.478 274 G N 1.551 110.334 108.800 -0.029 0.000 2.198 274 G HA2 -0.343 3.610 3.960 -0.011 0.000 0.260 274 G HA3 -0.343 3.610 3.960 -0.011 0.000 0.260 274 G C 0.471 175.392 174.900 0.034 0.000 1.025 274 G CA 0.515 45.624 45.100 0.015 0.000 0.769 274 G HN 0.458 nan 8.290 nan 0.000 0.507 275 F N 0.137 119.999 119.950 -0.146 0.000 2.171 275 F HA 0.003 4.524 4.527 -0.010 0.000 0.300 275 F C 2.383 178.173 175.800 -0.017 0.000 1.090 275 F CA 1.992 59.939 58.000 -0.088 0.000 1.293 275 F CB -0.232 38.707 39.000 -0.102 0.000 1.013 275 F HN 0.360 nan 8.300 nan 0.000 0.486 276 Y N 0.216 120.491 120.300 -0.041 0.000 2.242 276 Y HA -0.215 4.328 4.550 -0.012 0.000 0.291 276 Y C 2.639 178.424 175.900 -0.193 0.000 1.137 276 Y CA 1.223 59.230 58.100 -0.155 0.000 1.181 276 Y CB -0.516 37.948 38.460 0.007 0.000 0.989 276 Y HN 0.213 nan 8.280 nan 0.000 0.527 277 E N 0.665 120.882 120.200 0.029 0.000 2.072 277 E HA -0.200 4.143 4.350 -0.011 0.000 0.191 277 E C 2.309 178.880 176.600 -0.049 0.000 0.985 277 E CA 0.978 57.371 56.400 -0.011 0.000 0.801 277 E CB -0.164 29.548 29.700 0.020 0.000 0.750 277 E HN 0.389 nan 8.360 nan 0.000 0.452 278 A N 0.929 123.696 122.820 -0.087 0.000 1.933 278 A HA -0.140 4.173 4.320 -0.011 0.000 0.218 278 A C 2.115 179.617 177.584 -0.138 0.000 1.175 278 A CA 1.134 53.116 52.037 -0.092 0.000 0.628 278 A CB -0.594 18.365 19.000 -0.068 0.000 0.814 278 A HN 0.381 nan 8.150 nan 0.000 0.444 279 L N -0.181 120.876 121.223 -0.277 0.000 2.017 279 L HA -0.110 4.223 4.340 -0.011 0.000 0.208 279 L C 2.514 179.429 176.870 0.076 0.000 1.073 279 L CA 1.849 56.577 54.840 -0.186 0.000 0.745 279 L CB -0.546 41.315 42.059 -0.331 0.000 0.894 279 L HN 0.331 nan 8.230 nan 0.000 0.432 280 R N -0.688 119.827 120.500 0.025 0.000 2.091 280 R HA -0.227 4.106 4.340 -0.011 0.000 0.238 280 R C 2.196 178.609 176.300 0.188 0.000 1.136 280 R CA 1.585 57.733 56.100 0.079 0.000 0.959 280 R CB -0.371 29.852 30.300 -0.127 0.000 0.856 280 R HN 0.385 nan 8.270 nan 0.000 0.437 281 E N 0.190 120.439 120.200 0.081 0.000 2.106 281 E HA -0.100 4.243 4.350 -0.011 0.000 0.192 281 E C 1.904 178.534 176.600 0.049 0.000 0.984 281 E CA 1.651 58.092 56.400 0.067 0.000 0.806 281 E CB -0.484 29.229 29.700 0.022 0.000 0.750 281 E HN 0.325 nan 8.360 nan 0.000 0.458 282 G N -0.976 107.829 108.800 0.009 0.000 2.422 282 G HA2 -0.270 3.683 3.960 -0.011 0.000 0.218 282 G HA3 -0.270 3.683 3.960 -0.011 0.000 0.218 282 G C 1.334 176.190 174.900 -0.074 0.000 1.146 282 G CA 0.989 46.043 45.100 -0.077 0.000 0.769 282 G HN 0.372 nan 8.290 nan 0.000 0.547 283 Y N -0.047 120.337 120.300 0.141 0.000 2.337 283 Y HA 0.079 4.621 4.550 -0.012 0.000 0.293 283 Y C 2.940 178.907 175.900 0.112 0.000 1.123 283 Y CA 1.062 59.319 58.100 0.262 0.000 1.201 283 Y CB 0.033 38.762 38.460 0.449 0.000 1.011 283 Y HN 0.067 nan 8.280 nan 0.000 0.545 284 R N 0.809 121.429 120.500 0.199 0.000 2.081 284 R HA -0.168 4.165 4.340 -0.011 0.000 0.235 284 R C 2.138 178.322 176.300 -0.194 0.000 1.131 284 R CA 1.418 57.423 56.100 -0.159 0.000 0.960 284 R CB -0.100 30.201 30.300 0.002 0.000 0.856 284 R HN 0.270 nan 8.270 nan 0.000 0.436 285 R N -0.117 120.326 120.500 -0.095 0.000 2.081 285 R HA -0.098 4.236 4.340 -0.011 0.000 0.235 285 R C 2.468 178.666 176.300 -0.171 0.000 1.131 285 R CA 1.685 57.716 56.100 -0.116 0.000 0.960 285 R CB -0.233 30.024 30.300 -0.072 0.000 0.856 285 R HN 0.268 nan 8.270 nan 0.000 0.436 286 R N 0.083 120.493 120.500 -0.151 0.000 2.092 286 R HA -0.065 4.269 4.340 -0.011 0.000 0.231 286 R C 2.408 178.420 176.300 -0.481 0.000 1.119 286 R CA 0.938 56.926 56.100 -0.186 0.000 0.970 286 R CB -0.225 30.085 30.300 0.018 0.000 0.864 286 R HN 0.172 nan 8.270 nan 0.000 0.440 287 R N 1.098 121.143 120.500 -0.759 0.000 2.080 287 R HA -0.164 4.169 4.340 -0.011 0.000 0.236 287 R C 1.128 177.033 176.300 -0.660 0.000 1.137 287 R CA 2.138 57.504 56.100 -1.222 0.000 0.943 287 R CB -0.150 29.493 30.300 -1.096 0.000 0.846 287 R HN 0.118 nan 8.270 nan 0.000 0.431 288 D N 0.892 121.023 120.400 -0.448 0.000 2.178 288 D HA -0.176 4.457 4.640 -0.011 0.000 0.201 288 D C 1.889 178.036 176.300 -0.255 0.000 0.980 288 D CA 0.786 54.607 54.000 -0.298 0.000 0.842 288 D CB -0.239 40.431 40.800 -0.217 0.000 0.948 288 D HN 0.285 nan 8.370 nan 0.000 0.472 289 L N 0.100 121.165 121.223 -0.263 0.000 1.994 289 L HA -0.173 4.160 4.340 -0.011 0.000 0.208 289 L C 2.209 178.931 176.870 -0.246 0.000 1.071 289 L CA 1.103 55.802 54.840 -0.235 0.000 0.745 289 L CB -0.153 41.748 42.059 -0.263 0.000 0.892 289 L HN 0.030 nan 8.230 nan 0.000 0.431 290 L N 0.277 121.327 121.223 -0.288 0.000 2.005 290 L HA -0.113 4.220 4.340 -0.011 0.000 0.207 290 L C 2.639 179.350 176.870 -0.265 0.000 1.072 290 L CA 2.128 56.815 54.840 -0.255 0.000 0.744 290 L CB -0.919 40.993 42.059 -0.246 0.000 0.895 290 L HN 0.286 nan 8.230 nan 0.000 0.433 291 A N -0.571 122.070 122.820 -0.298 0.000 1.908 291 A HA -0.108 4.205 4.320 -0.011 0.000 0.218 291 A C 2.334 179.801 177.584 -0.194 0.000 1.181 291 A CA 1.704 53.589 52.037 -0.252 0.000 0.627 291 A CB -1.644 17.210 19.000 -0.243 0.000 0.818 291 A HN 0.546 nan 8.150 nan 0.000 0.445 292 G N -0.735 107.959 108.800 -0.177 0.000 2.418 292 G HA2 0.028 3.981 3.960 -0.011 0.000 0.217 292 G HA3 0.028 3.981 3.960 -0.011 0.000 0.217 292 G C 1.519 176.352 174.900 -0.111 0.000 1.158 292 G CA 1.264 46.286 45.100 -0.130 0.000 0.771 292 G HN 0.724 nan 8.290 nan 0.000 0.545 293 G N 0.779 109.506 108.800 -0.122 0.000 2.418 293 G HA2 -0.114 3.840 3.960 -0.011 0.000 0.217 293 G HA3 -0.114 3.840 3.960 -0.011 0.000 0.217 293 G C 1.799 176.646 174.900 -0.090 0.000 1.158 293 G CA 0.689 45.734 45.100 -0.091 0.000 0.771 293 G HN 0.422 nan 8.290 nan 0.000 0.545 294 L N -0.326 120.818 121.223 -0.131 0.000 2.056 294 L HA 0.014 4.347 4.340 -0.011 0.000 0.207 294 L C 3.130 179.941 176.870 -0.098 0.000 1.078 294 L CA 0.784 55.547 54.840 -0.128 0.000 0.749 294 L CB -0.318 41.607 42.059 -0.223 0.000 0.901 294 L HN 0.131 nan 8.230 nan 0.000 0.433 295 R N 0.081 120.517 120.500 -0.108 0.000 2.148 295 R HA -0.068 4.265 4.340 -0.011 0.000 0.227 295 R C 2.342 178.605 176.300 -0.061 0.000 1.103 295 R CA 1.093 57.140 56.100 -0.088 0.000 0.983 295 R CB -0.373 29.869 30.300 -0.097 0.000 0.874 295 R HN 0.320 nan 8.270 nan 0.000 0.451 296 A N 0.785 123.571 122.820 -0.057 0.000 2.067 296 A HA -0.094 4.220 4.320 -0.011 0.000 0.219 296 A C 1.913 179.482 177.584 -0.025 0.000 1.158 296 A CA 1.086 53.100 52.037 -0.038 0.000 0.661 296 A CB -0.263 18.716 19.000 -0.035 0.000 0.801 296 A HN 0.195 nan 8.150 nan 0.000 0.452 297 M N -1.319 118.265 119.600 -0.026 0.000 2.561 297 M HA 0.175 4.648 4.480 -0.011 0.000 0.238 297 M C 1.222 177.522 176.300 -0.001 0.000 1.131 297 M CA 0.761 56.056 55.300 -0.008 0.000 1.046 297 M CB 0.302 32.899 32.600 -0.006 0.000 1.532 297 M HN 0.591 nan 8.290 nan 0.000 0.497 298 G N 1.535 110.326 108.800 -0.015 0.000 2.137 298 G HA2 -0.220 3.733 3.960 -0.011 0.000 0.237 298 G HA3 -0.220 3.733 3.960 -0.011 0.000 0.237 298 G C -0.165 174.729 174.900 -0.010 0.000 1.002 298 G CA -0.279 44.814 45.100 -0.011 0.000 0.702 298 G HN 0.392 nan 8.290 nan 0.000 0.515 299 L N -0.635 120.574 121.223 -0.022 0.000 2.360 299 L HA 0.705 5.038 4.340 -0.011 0.000 0.271 299 L C 0.912 177.739 176.870 -0.073 0.000 1.057 299 L CA -1.399 53.430 54.840 -0.018 0.000 0.803 299 L CB 1.167 43.225 42.059 -0.002 0.000 1.207 299 L HN 0.111 nan 8.230 nan 0.000 0.445 300 R N 1.543 121.992 120.500 -0.084 0.000 2.267 300 R HA 0.459 4.792 4.340 -0.011 0.000 0.319 300 R C -1.433 174.697 176.300 -0.285 0.000 1.067 300 R CA -0.186 55.789 56.100 -0.209 0.000 0.936 300 R CB 0.543 30.711 30.300 -0.221 0.000 1.006 300 R HN 0.369 nan 8.270 nan 0.000 0.452 301 V N 6.533 126.240 119.914 -0.344 0.000 2.540 301 V HA 0.338 4.451 4.120 -0.011 0.000 0.302 301 V C -0.949 174.932 176.094 -0.354 0.000 1.035 301 V CA -0.765 61.366 62.300 -0.282 0.000 0.873 301 V CB 1.598 33.300 31.823 -0.202 0.000 0.992 301 V HN 0.657 nan 8.190 nan 0.000 0.428 302 Y N 3.095 123.415 120.300 0.033 0.000 2.594 302 Y HA 0.370 4.916 4.550 -0.007 0.000 0.342 302 Y C 0.466 176.406 175.900 0.067 0.000 1.010 302 Y CA -0.682 57.457 58.100 0.065 0.000 1.270 302 Y CB 1.007 39.559 38.460 0.153 0.000 1.125 302 Y HN 0.404 nan 8.280 nan 0.000 0.513 303 V N 6.791 126.767 119.914 0.102 0.000 2.509 303 V HA -0.011 4.102 4.120 -0.011 0.000 0.297 303 V C -1.598 174.573 176.094 0.129 0.000 1.014 303 V CA -1.296 61.039 62.300 0.059 0.000 1.127 303 V CB -0.154 31.664 31.823 -0.007 0.000 0.925 303 V HN 0.546 nan 8.190 nan 0.000 0.480 304 P HA 0.280 nan 4.420 nan 0.000 0.278 304 P C -0.124 177.342 177.300 0.278 0.000 1.238 304 P CA -0.455 62.774 63.100 0.216 0.000 0.794 304 P CB 1.504 33.380 31.700 0.293 0.000 0.955 305 E N 0.659 120.993 120.200 0.224 0.000 2.447 305 E HA 0.275 4.618 4.350 -0.011 0.000 0.195 305 E C 1.051 177.768 176.600 0.196 0.000 1.028 305 E CA 0.249 56.794 56.400 0.241 0.000 0.876 305 E CB 0.170 29.933 29.700 0.105 0.000 0.885 305 E HN 0.684 nan 8.360 nan 0.000 0.500 306 G N -0.143 108.726 108.800 0.116 0.000 2.645 306 G HA2 0.494 4.447 3.960 -0.011 0.000 0.292 306 G HA3 0.494 4.447 3.960 -0.011 0.000 0.292 306 G C -0.591 174.215 174.900 -0.156 0.000 1.415 306 G CA -0.173 44.840 45.100 -0.145 0.000 0.785 306 G HN 0.251 nan 8.290 nan 0.000 0.483 307 T N -3.356 110.925 114.554 -0.455 0.000 0.541 307 T HA -0.217 4.127 4.350 -0.011 0.000 0.774 307 T C 0.191 174.432 174.700 -0.765 0.000 0.992 307 T CA 1.357 62.872 62.100 -0.976 0.000 4.077 307 T CB -1.158 67.130 68.868 -0.967 0.000 2.303 307 T HN 2.216 nan 8.240 nan 0.000 0.398 308 Y N 0.047 119.621 120.300 -1.210 0.000 2.801 308 Y HA 0.774 5.316 4.550 -0.012 0.000 0.318 308 Y C -0.186 174.589 175.900 -1.875 0.000 1.073 308 Y CA -2.430 54.704 58.100 -1.610 0.000 1.360 308 Y CB -0.563 37.044 38.460 -1.422 0.000 1.220 308 Y HN 0.581 nan 8.280 nan 0.000 0.536 309 F N 1.725 121.376 119.950 -0.498 0.000 2.561 309 F HA 0.737 5.257 4.527 -0.012 0.000 0.321 309 F C -0.489 175.411 175.800 0.168 0.000 1.065 309 F CA -1.883 56.035 58.000 -0.137 0.000 0.934 309 F CB 2.274 41.203 39.000 -0.119 0.000 1.215 309 F HN 0.002 nan 8.300 nan 0.000 0.471 310 L N 2.824 124.354 121.223 0.511 0.000 2.472 310 L HA 0.690 5.023 4.340 -0.011 0.000 0.260 310 L C -1.867 175.241 176.870 0.396 0.000 0.963 310 L CA -0.595 54.495 54.840 0.417 0.000 0.829 310 L CB 2.208 44.499 42.059 0.387 0.000 1.348 310 L HN 0.657 nan 8.230 nan 0.000 0.408 311 M N 4.058 123.874 119.600 0.361 0.000 2.456 311 M HA 0.819 5.292 4.480 -0.011 0.000 0.324 311 M C -0.565 176.012 176.300 0.460 0.000 1.124 311 M CA -0.514 55.050 55.300 0.441 0.000 0.959 311 M CB 2.021 34.856 32.600 0.391 0.000 1.692 311 M HN 0.760 nan 8.290 nan 0.000 0.444 312 A N 2.124 125.229 122.820 0.475 0.000 2.566 312 A HA 0.726 5.039 4.320 -0.011 0.000 0.292 312 A C -1.460 176.391 177.584 0.445 0.000 1.112 312 A CA -0.807 51.427 52.037 0.328 0.000 0.707 312 A CB 1.657 20.675 19.000 0.029 0.000 1.302 312 A HN 0.803 nan 8.150 nan 0.000 0.409 313 E N 0.107 120.494 120.200 0.312 0.000 2.175 313 E HA 0.518 4.861 4.350 -0.011 0.000 0.278 313 E C -1.636 175.167 176.600 0.338 0.000 0.969 313 E CA -0.525 56.074 56.400 0.331 0.000 0.796 313 E CB 1.632 31.467 29.700 0.225 0.000 1.104 313 E HN 0.306 nan 8.360 nan 0.000 0.395 314 L N 5.242 126.752 121.223 0.478 0.000 2.433 314 L HA 0.311 4.644 4.340 -0.011 0.000 0.256 314 L C -2.499 174.680 176.870 0.516 0.000 1.063 314 L CA -1.947 53.163 54.840 0.449 0.000 0.922 314 L CB 0.856 43.122 42.059 0.344 0.000 1.238 314 L HN 0.302 nan 8.230 nan 0.000 0.466 315 P HA 0.184 nan 4.420 nan 0.000 0.262 315 P C 1.002 178.423 177.300 0.201 0.000 1.182 315 P CA 0.730 63.974 63.100 0.240 0.000 0.761 315 P CB 0.721 32.513 31.700 0.153 0.000 0.795 316 G N 0.610 109.469 108.800 0.099 0.000 2.179 316 G HA2 -0.231 3.722 3.960 -0.011 0.000 0.260 316 G HA3 -0.231 3.722 3.960 -0.011 0.000 0.260 316 G C -0.456 174.326 174.900 -0.197 0.000 0.977 316 G CA -0.518 44.530 45.100 -0.088 0.000 0.641 316 G HN 0.405 nan 8.290 nan 0.000 0.533 317 W N 1.478 122.882 121.300 0.173 0.000 2.647 317 W HA 0.634 5.287 4.660 -0.012 0.000 0.353 317 W C 0.143 176.866 176.519 0.339 0.000 1.080 317 W CA -0.199 57.260 57.345 0.189 0.000 1.208 317 W CB 1.149 30.670 29.460 0.103 0.000 1.396 317 W HN 0.236 nan 8.180 nan 0.000 0.573 318 D N 0.156 120.904 120.400 0.579 0.000 2.490 318 D HA 0.447 5.080 4.640 -0.011 0.000 0.232 318 D C 0.495 177.110 176.300 0.525 0.000 1.053 318 D CA -0.596 53.719 54.000 0.525 0.000 0.914 318 D CB 1.802 42.775 40.800 0.289 0.000 1.431 318 D HN 0.448 nan 8.370 nan 0.000 0.483 319 A N 0.928 124.100 122.820 0.586 0.000 1.908 319 A HA -0.156 4.158 4.320 -0.011 0.000 0.218 319 A C 1.700 179.433 177.584 0.248 0.000 1.181 319 A CA 1.249 53.503 52.037 0.361 0.000 0.627 319 A CB -0.873 18.331 19.000 0.340 0.000 0.818 319 A HN 0.510 nan 8.150 nan 0.000 0.445 320 F N -0.206 119.804 119.950 0.100 0.000 2.075 320 F HA -0.109 4.411 4.527 -0.012 0.000 0.297 320 F C 2.561 178.414 175.800 0.089 0.000 1.113 320 F CA 1.612 59.653 58.000 0.069 0.000 1.218 320 F CB -0.736 38.299 39.000 0.059 0.000 0.984 320 F HN 0.101 nan 8.300 nan 0.000 0.472 321 R N 0.052 120.769 120.500 0.362 0.000 2.120 321 R HA -0.133 4.200 4.340 -0.011 0.000 0.234 321 R C 2.268 178.763 176.300 0.326 0.000 1.123 321 R CA 1.050 57.347 56.100 0.328 0.000 0.975 321 R CB -0.684 29.825 30.300 0.348 0.000 0.866 321 R HN 0.344 nan 8.270 nan 0.000 0.446 322 L N -0.130 121.231 121.223 0.229 0.000 1.994 322 L HA -0.169 4.164 4.340 -0.011 0.000 0.208 322 L C 2.467 179.262 176.870 -0.124 0.000 1.071 322 L CA 1.065 55.842 54.840 -0.104 0.000 0.745 322 L CB -0.449 41.424 42.059 -0.310 0.000 0.892 322 L HN 0.091 nan 8.230 nan 0.000 0.431 323 V N -0.205 119.659 119.914 -0.083 0.000 2.515 323 V HA -0.252 3.861 4.120 -0.011 0.000 0.250 323 V C 2.271 178.339 176.094 -0.044 0.000 1.058 323 V CA 1.822 64.065 62.300 -0.095 0.000 1.064 323 V CB -0.183 31.567 31.823 -0.122 0.000 0.675 323 V HN 0.486 nan 8.190 nan 0.000 0.461 324 E N -0.711 119.497 120.200 0.013 0.000 2.076 324 E HA -0.167 4.176 4.350 -0.011 0.000 0.190 324 E C 2.143 178.770 176.600 0.044 0.000 0.979 324 E CA 1.344 57.767 56.400 0.038 0.000 0.807 324 E CB 0.020 29.768 29.700 0.081 0.000 0.761 324 E HN 0.686 nan 8.360 nan 0.000 0.454 325 E N 0.319 120.562 120.200 0.072 0.000 2.057 325 E HA 0.012 4.355 4.350 -0.011 0.000 0.190 325 E C 1.920 178.522 176.600 0.004 0.000 0.969 325 E CA 0.605 57.054 56.400 0.082 0.000 0.812 325 E CB 0.098 29.929 29.700 0.219 0.000 0.777 325 E HN 0.115 nan 8.360 nan 0.000 0.455 326 A N 0.529 123.295 122.820 -0.089 0.000 2.072 326 A HA 0.043 4.356 4.320 -0.011 0.000 0.216 326 A C 1.156 178.677 177.584 -0.106 0.000 1.156 326 A CA 0.558 52.509 52.037 -0.143 0.000 0.701 326 A CB -0.040 18.779 19.000 -0.301 0.000 0.816 326 A HN 0.226 nan 8.150 nan 0.000 0.458 327 R N -1.991 118.454 120.500 -0.090 0.000 3.418 327 R HA -0.124 4.210 4.340 -0.011 0.000 0.274 327 R C -1.464 174.781 176.300 -0.092 0.000 1.108 327 R CA 0.742 56.799 56.100 -0.072 0.000 0.741 327 R CB -2.278 27.995 30.300 -0.045 0.000 1.223 327 R HN 0.259 nan 8.270 nan 0.000 0.434 328 V N 0.393 120.226 119.914 -0.136 0.000 2.623 328 V HA 0.775 4.888 4.120 -0.011 0.000 0.304 328 V C 0.013 175.992 176.094 -0.191 0.000 1.054 328 V CA -0.387 61.820 62.300 -0.155 0.000 0.882 328 V CB 1.939 33.651 31.823 -0.185 0.000 1.002 328 V HN 0.327 nan 8.190 nan 0.000 0.424 329 A N 6.349 129.072 122.820 -0.162 0.000 2.274 329 A HA 0.930 5.243 4.320 -0.011 0.000 0.309 329 A C -0.764 176.706 177.584 -0.191 0.000 1.226 329 A CA -0.284 51.654 52.037 -0.165 0.000 0.853 329 A CB 0.500 19.430 19.000 -0.116 0.000 1.146 329 A HN 0.791 nan 8.150 nan 0.000 0.518 330 L N 2.181 123.278 121.223 -0.210 0.000 2.303 330 L HA 0.592 4.925 4.340 -0.011 0.000 0.256 330 L C -0.794 176.074 176.870 -0.002 0.000 1.034 330 L CA -1.023 53.697 54.840 -0.200 0.000 0.832 330 L CB 1.738 43.529 42.059 -0.447 0.000 1.403 330 L HN 0.436 nan 8.230 nan 0.000 0.419 331 I N 2.666 123.309 120.570 0.121 0.000 2.354 331 I HA 0.341 4.504 4.170 -0.011 0.000 0.292 331 I C -2.209 174.071 176.117 0.273 0.000 0.989 331 I CA -2.284 59.097 61.300 0.136 0.000 1.188 331 I CB 1.299 39.410 38.000 0.185 0.000 1.342 331 I HN 0.230 nan 8.210 nan 0.000 0.457 332 P HA 0.124 nan 4.420 nan 0.000 0.274 332 P C 0.465 177.796 177.300 0.052 0.000 1.231 332 P CA -0.259 62.873 63.100 0.052 0.000 0.790 332 P CB 1.244 32.969 31.700 0.041 0.000 0.951 333 A N 2.875 125.710 122.820 0.025 0.000 2.076 333 A HA -0.186 4.127 4.320 -0.011 0.000 0.220 333 A C 2.156 179.890 177.584 0.250 0.000 1.160 333 A CA 2.135 54.338 52.037 0.277 0.000 0.653 333 A CB -1.703 17.376 19.000 0.132 0.000 0.801 333 A HN 0.674 nan 8.150 nan 0.000 0.455 334 S N -0.028 115.685 115.700 0.020 0.000 2.440 334 S HA 0.011 4.475 4.470 -0.011 0.000 0.238 334 S C 1.816 176.357 174.600 -0.099 0.000 1.010 334 S CA 1.106 59.298 58.200 -0.013 0.000 0.972 334 S CB -0.553 62.615 63.200 -0.053 0.000 0.774 334 S HN 0.914 nan 8.310 nan 0.000 0.501 335 A N 0.217 122.842 122.820 -0.326 0.000 2.167 335 A HA 0.356 4.669 4.320 -0.011 0.000 0.214 335 A C 1.252 178.401 177.584 -0.726 0.000 1.151 335 A CA 0.452 52.094 52.037 -0.657 0.000 0.735 335 A CB -0.590 17.702 19.000 -1.179 0.000 0.802 335 A HN 0.594 nan 8.150 nan 0.000 0.467 336 F N -3.001 116.860 119.950 -0.148 0.000 2.706 336 F HA 0.375 4.895 4.527 -0.011 0.000 0.313 336 F C -0.134 174.951 175.800 -1.191 0.000 1.096 336 F CA -0.534 57.137 58.000 -0.548 0.000 1.219 336 F CB 0.086 38.817 39.000 -0.447 0.000 1.051 336 F HN 0.070 nan 8.300 nan 0.000 0.568 337 Y N -0.564 119.476 120.300 -0.434 0.000 2.485 337 Y HA 0.393 4.936 4.550 -0.012 0.000 0.345 337 Y C 0.613 176.514 175.900 0.001 0.000 0.998 337 Y CA -1.080 56.836 58.100 -0.307 0.000 1.059 337 Y CB 1.795 40.188 38.460 -0.112 0.000 1.234 337 Y HN -0.195 nan 8.280 nan 0.000 0.461 338 L N 0.994 122.424 121.223 0.345 0.000 2.095 338 L HA 0.142 4.475 4.340 -0.011 0.000 0.204 338 L C 0.166 177.146 176.870 0.183 0.000 1.080 338 L CA 1.762 56.792 54.840 0.317 0.000 0.759 338 L CB -0.029 42.215 42.059 0.308 0.000 0.914 338 L HN 0.763 nan 8.230 nan 0.000 0.439 339 E N -1.675 118.626 120.200 0.168 0.000 2.413 339 E HA 0.267 4.610 4.350 -0.011 0.000 0.277 339 E C -1.158 175.471 176.600 0.049 0.000 0.958 339 E CA -0.471 55.982 56.400 0.088 0.000 0.779 339 E CB 1.107 30.850 29.700 0.072 0.000 1.278 339 E HN 0.092 nan 8.360 nan 0.000 0.456 340 D N 1.429 121.823 120.400 -0.009 0.000 2.697 340 D HA -0.122 4.511 4.640 -0.011 0.000 0.235 340 D C -2.238 173.953 176.300 -0.183 0.000 1.167 340 D CA 0.996 54.957 54.000 -0.065 0.000 0.656 340 D CB -1.079 39.701 40.800 -0.034 0.000 1.025 340 D HN 0.346 nan 8.370 nan 0.000 0.419 341 P HA 0.210 nan 4.420 nan 0.000 0.272 341 P C -2.348 174.673 177.300 -0.465 0.000 1.223 341 P CA -0.969 61.784 63.100 -0.577 0.000 0.784 341 P CB 0.269 31.775 31.700 -0.324 0.000 0.923 342 P HA 0.076 nan 4.420 nan 0.000 0.267 342 P C -0.205 176.981 177.300 -0.190 0.000 1.200 342 P CA 0.357 63.285 63.100 -0.287 0.000 0.772 342 P CB 0.271 31.840 31.700 -0.219 0.000 0.855 343 K N 2.216 122.548 120.400 -0.114 0.000 2.298 343 K HA 0.077 4.390 4.320 -0.011 0.000 0.280 343 K C 0.084 176.657 176.600 -0.046 0.000 1.032 343 K CA -0.175 56.066 56.287 -0.076 0.000 0.958 343 K CB 0.075 32.553 32.500 -0.038 0.000 0.978 343 K HN 0.457 nan 8.250 nan 0.000 0.472 344 D N 0.797 121.158 120.400 -0.065 0.000 2.882 344 D HA -0.199 4.435 4.640 -0.011 0.000 0.229 344 D C -0.705 175.555 176.300 -0.066 0.000 1.167 344 D CA 0.848 54.849 54.000 0.001 0.000 0.759 344 D CB -0.954 39.956 40.800 0.184 0.000 1.088 344 D HN 0.200 nan 8.370 nan 0.000 0.425 345 L N -0.012 121.058 121.223 -0.255 0.000 2.307 345 L HA 0.608 4.942 4.340 -0.011 0.000 0.282 345 L C -0.666 175.991 176.870 -0.355 0.000 1.051 345 L CA -0.244 54.548 54.840 -0.080 0.000 0.804 345 L CB 0.765 42.848 42.059 0.041 0.000 1.197 345 L HN -0.090 nan 8.230 nan 0.000 0.431 346 F N 3.442 123.572 119.950 0.300 0.000 2.588 346 F HA 0.578 5.098 4.527 -0.011 0.000 0.310 346 F C -0.075 175.938 175.800 0.354 0.000 1.082 346 F CA -0.757 57.402 58.000 0.266 0.000 0.929 346 F CB 1.607 40.697 39.000 0.151 0.000 1.254 346 F HN 0.331 nan 8.300 nan 0.000 0.455 347 R N 1.898 122.677 120.500 0.466 0.000 2.346 347 R HA 0.599 4.932 4.340 -0.011 0.000 0.311 347 R C -1.881 174.665 176.300 0.411 0.000 0.983 347 R CA -0.386 55.962 56.100 0.414 0.000 0.880 347 R CB 0.699 31.136 30.300 0.227 0.000 1.100 347 R HN 0.513 nan 8.270 nan 0.000 0.453 348 F N 1.732 121.862 119.950 0.301 0.000 2.480 348 F HA 0.543 5.065 4.527 -0.008 0.000 0.329 348 F C 0.224 176.239 175.800 0.359 0.000 1.091 348 F CA -0.737 57.434 58.000 0.285 0.000 0.972 348 F CB 2.207 41.360 39.000 0.255 0.000 1.150 348 F HN 0.551 nan 8.300 nan 0.000 0.467 349 A N 3.071 126.158 122.820 0.444 0.000 2.287 349 A HA 0.613 4.926 4.320 -0.011 0.000 0.317 349 A C -0.665 177.003 177.584 0.138 0.000 1.220 349 A CA -0.508 51.683 52.037 0.256 0.000 0.835 349 A CB -0.194 18.954 19.000 0.246 0.000 1.180 349 A HN 0.721 nan 8.150 nan 0.000 0.500 350 F N 0.880 120.871 119.950 0.069 0.000 2.837 350 F HA 0.289 4.813 4.527 -0.005 0.000 0.298 350 F C 0.634 176.452 175.800 0.029 0.000 1.161 350 F CA -1.261 56.769 58.000 0.050 0.000 1.353 350 F CB -0.814 38.226 39.000 0.066 0.000 0.951 350 F HN 0.387 nan 8.300 nan 0.000 0.508 351 C N 0.066 119.258 119.300 -0.180 0.000 2.687 351 C HA 0.561 5.014 4.460 -0.011 0.000 0.465 351 C C 0.282 175.199 174.990 -0.121 0.000 1.304 351 C CA -0.765 58.151 59.018 -0.171 0.000 1.620 351 C CB -1.837 25.401 27.740 -0.837 0.000 2.212 351 C HN 0.270 nan 8.230 nan 0.000 0.616 352 K N 0.738 121.123 120.400 -0.025 0.000 2.378 352 K HA 0.601 4.914 4.320 -0.011 0.000 0.244 352 K C 0.237 176.826 176.600 -0.018 0.000 1.039 352 K CA -0.114 56.155 56.287 -0.030 0.000 0.863 352 K CB 1.450 33.943 32.500 -0.011 0.000 1.326 352 K HN 0.468 nan 8.250 nan 0.000 0.460 353 T N -1.958 112.587 114.554 -0.015 0.000 2.860 353 T HA 0.148 4.491 4.350 -0.011 0.000 0.299 353 T C 1.114 175.813 174.700 -0.001 0.000 1.045 353 T CA -0.144 61.950 62.100 -0.011 0.000 1.071 353 T CB 0.665 69.534 68.868 0.001 0.000 0.985 353 T HN 0.472 nan 8.240 nan 0.000 0.537 354 E N 0.640 120.842 120.200 0.003 0.000 2.153 354 E HA -0.158 4.185 4.350 -0.011 0.000 0.194 354 E C 2.196 178.858 176.600 0.103 0.000 0.988 354 E CA 1.216 57.621 56.400 0.009 0.000 0.811 354 E CB 0.074 29.797 29.700 0.038 0.000 0.746 354 E HN 0.770 nan 8.360 nan 0.000 0.466 355 E N 1.110 121.375 120.200 0.110 0.000 2.077 355 E HA -0.211 4.132 4.350 -0.011 0.000 0.193 355 E C 1.685 178.340 176.600 0.091 0.000 0.989 355 E CA 1.015 57.489 56.400 0.123 0.000 0.800 355 E CB -0.398 29.337 29.700 0.059 0.000 0.746 355 E HN 0.412 nan 8.360 nan 0.000 0.452 356 E N 0.917 121.146 120.200 0.047 0.000 2.106 356 E HA -0.060 4.284 4.350 -0.011 0.000 0.192 356 E C 2.405 179.022 176.600 0.028 0.000 0.984 356 E CA 0.645 57.062 56.400 0.029 0.000 0.806 356 E CB -0.131 29.576 29.700 0.012 0.000 0.750 356 E HN 0.211 nan 8.360 nan 0.000 0.458 357 L N -0.079 121.148 121.223 0.007 0.000 2.056 357 L HA -0.177 4.157 4.340 -0.011 0.000 0.207 357 L C 2.296 179.138 176.870 -0.047 0.000 1.078 357 L CA 1.333 56.154 54.840 -0.032 0.000 0.749 357 L CB -0.501 41.498 42.059 -0.101 0.000 0.901 357 L HN 0.190 nan 8.230 nan 0.000 0.433 358 H N -0.583 118.485 119.070 -0.003 0.000 2.387 358 H HA -0.183 4.362 4.556 -0.019 0.000 0.299 358 H C 2.288 177.610 175.328 -0.009 0.000 1.090 358 H CA 1.372 57.413 56.048 -0.011 0.000 1.332 358 H CB 0.154 29.906 29.762 -0.016 0.000 1.386 358 H HN 0.184 nan 8.280 nan 0.000 0.516 359 L N -0.029 121.263 121.223 0.116 0.000 2.046 359 L HA -0.181 4.152 4.340 -0.011 0.000 0.208 359 L C 2.491 179.379 176.870 0.030 0.000 1.077 359 L CA 1.132 56.006 54.840 0.056 0.000 0.747 359 L CB -0.438 41.642 42.059 0.035 0.000 0.896 359 L HN 0.382 nan 8.230 nan 0.000 0.432 360 A N -0.023 122.812 122.820 0.026 0.000 1.902 360 A HA -0.211 4.103 4.320 -0.011 0.000 0.217 360 A C 2.141 179.734 177.584 0.014 0.000 1.181 360 A CA 1.525 53.569 52.037 0.013 0.000 0.623 360 A CB -0.706 18.316 19.000 0.036 0.000 0.818 360 A HN 0.471 nan 8.150 nan 0.000 0.443 361 L N -0.821 120.416 121.223 0.023 0.000 2.046 361 L HA -0.204 4.129 4.340 -0.011 0.000 0.208 361 L C 2.622 179.499 176.870 0.011 0.000 1.077 361 L CA 1.636 56.485 54.840 0.015 0.000 0.747 361 L CB -0.596 41.466 42.059 0.005 0.000 0.896 361 L HN 0.474 nan 8.230 nan 0.000 0.432 362 E N -0.122 120.093 120.200 0.025 0.000 2.077 362 E HA -0.213 4.131 4.350 -0.011 0.000 0.193 362 E C 2.370 178.967 176.600 -0.005 0.000 0.989 362 E CA 1.021 57.429 56.400 0.015 0.000 0.800 362 E CB -0.017 29.696 29.700 0.022 0.000 0.746 362 E HN 0.413 nan 8.360 nan 0.000 0.452 363 R N 0.360 120.850 120.500 -0.016 0.000 2.075 363 R HA -0.062 4.271 4.340 -0.011 0.000 0.232 363 R C 2.489 178.749 176.300 -0.068 0.000 1.126 363 R CA 0.845 56.922 56.100 -0.038 0.000 0.963 363 R CB -0.247 30.024 30.300 -0.048 0.000 0.858 363 R HN 0.175 nan 8.270 nan 0.000 0.435 364 L N -0.387 120.789 121.223 -0.077 0.000 2.093 364 L HA -0.070 4.263 4.340 -0.011 0.000 0.208 364 L C 2.567 179.391 176.870 -0.076 0.000 1.085 364 L CA 1.282 56.049 54.840 -0.122 0.000 0.755 364 L CB -0.783 41.223 42.059 -0.089 0.000 0.904 364 L HN 0.369 nan 8.230 nan 0.000 0.435 365 G N 0.012 108.792 108.800 -0.034 0.000 2.440 365 G HA2 -0.257 3.696 3.960 -0.011 0.000 0.218 365 G HA3 -0.257 3.696 3.960 -0.011 0.000 0.218 365 G C 1.719 176.620 174.900 0.001 0.000 1.154 365 G CA 0.547 45.641 45.100 -0.011 0.000 0.767 365 G HN 0.301 nan 8.290 nan 0.000 0.552 366 R N -0.619 119.879 120.500 -0.004 0.000 2.081 366 R HA 0.005 4.338 4.340 -0.011 0.000 0.235 366 R C 2.357 178.677 176.300 0.034 0.000 1.131 366 R CA 1.241 57.348 56.100 0.012 0.000 0.960 366 R CB -0.617 29.686 30.300 0.005 0.000 0.856 366 R HN 0.294 nan 8.270 nan 0.000 0.436 367 V N 0.876 120.802 119.914 0.020 0.000 3.608 367 V HA 0.035 4.148 4.120 -0.011 0.000 0.269 367 V C 0.214 176.402 176.094 0.157 0.000 1.245 367 V CA 0.240 62.595 62.300 0.091 0.000 1.138 367 V CB -0.148 31.692 31.823 0.028 0.000 0.841 367 V HN 0.170 nan 8.190 nan 0.000 0.451 368 V N 0.000 119.954 119.914 0.067 0.000 2.409 368 V HA 0.000 4.113 4.120 -0.011 0.000 0.244 368 V CA 0.000 62.360 62.300 0.100 0.000 1.235 368 V CB 0.000 31.923 31.823 0.167 0.000 1.184 368 V HN 0.000 nan 8.190 nan 0.000 0.556