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 2dq3_1_A DATA FIRST_RESID 2 DATA SEQUENCE IDINLIREKP DYVKERLATR DKELVSLVDK VLELDKRRRE IIKRLEALRS DATA SEQUENCE ERNKLSKEIG KLKREGKDTT EIQNRVKELK EEIDRLEEEL RKVEEELKNT DATA SEQUENCE LLWIPNLPHP SVPVGEDEKD NVEVRRWGEP RKFDFEPKPH WEIGERLGIL DATA SEQUENCE DFKRGAKLSG SRFTVIAGWG ARLERALINF XLDLHTKKGY KEICPPHLVK DATA SEQUENCE PEILIGTGQL PKFEEDLYKC ERDNLYLIPT AEVPLTNLYR EEILKEENLP DATA SEQUENCE IYLTAYTPCY RREAGAYGKD IRGIIRQHQF DKVELVKIVH PDTSYDELEK DATA SEQUENCE LVKDAEEVLQ LLGLPYRVVE LCTGDLGFSA AKTYDIEVWF PSQNKYREIS DATA SEQUENCE SCSNCEDFQA RRXNTRFKDS KTGKNRFVHT LNGSGLAVGR TLAAILENYQ DATA SEQUENCE QEDGSVVVPE VLRDYVGTDV IRPE 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 2 I HA 0.000 nan 4.170 nan 0.000 0.288 2 I C 0.000 176.057 176.117 -0.099 0.000 1.063 2 I CA 0.000 61.230 61.300 -0.116 0.000 1.566 2 I CB 0.000 38.004 38.000 0.007 0.000 1.214 3 D N 1.922 122.288 120.400 -0.057 0.000 2.458 3 D HA 0.161 4.801 4.640 0.001 0.000 0.243 3 D C 0.986 177.288 176.300 0.004 0.000 1.146 3 D CA 0.094 54.081 54.000 -0.020 0.000 0.877 3 D CB 1.192 42.005 40.800 0.022 0.000 1.176 3 D HN 0.616 nan 8.370 nan 0.000 0.461 4 I N 4.259 124.834 120.570 0.009 0.000 2.439 4 I HA -0.201 3.970 4.170 0.001 0.000 0.251 4 I C 1.580 177.714 176.117 0.028 0.000 1.139 4 I CA 1.103 62.414 61.300 0.018 0.000 1.438 4 I CB -0.166 37.846 38.000 0.019 0.000 1.085 4 I HN 0.351 nan 8.210 nan 0.000 0.427 5 N N 0.707 119.428 118.700 0.036 0.000 2.120 5 N HA -0.159 4.582 4.740 0.001 0.000 0.188 5 N C 1.951 177.491 175.510 0.051 0.000 1.024 5 N CA 1.145 54.220 53.050 0.042 0.000 0.852 5 N CB -0.630 37.886 38.487 0.048 0.000 1.003 5 N HN 0.307 nan 8.380 nan 0.000 0.424 6 L N 1.754 123.012 121.223 0.059 0.000 2.129 6 L HA -0.081 4.259 4.340 0.001 0.000 0.212 6 L C 1.958 178.873 176.870 0.075 0.000 1.087 6 L CA 1.287 56.177 54.840 0.083 0.000 0.757 6 L CB -0.677 41.437 42.059 0.090 0.000 0.896 6 L HN 0.131 nan 8.230 nan 0.000 0.434 7 I N -1.165 119.432 120.570 0.045 0.000 2.333 7 I HA -0.245 3.926 4.170 0.001 0.000 0.246 7 I C 2.598 178.738 176.117 0.038 0.000 1.106 7 I CA 0.576 61.895 61.300 0.032 0.000 1.411 7 I CB -0.318 37.693 38.000 0.019 0.000 1.082 7 I HN 0.156 nan 8.210 nan 0.000 0.420 8 R N 1.153 121.675 120.500 0.037 0.000 2.073 8 R HA -0.162 4.178 4.340 0.001 0.000 0.234 8 R C 2.184 178.508 176.300 0.039 0.000 1.134 8 R CA 1.656 57.776 56.100 0.034 0.000 0.952 8 R CB -0.312 30.006 30.300 0.030 0.000 0.850 8 R HN 0.437 nan 8.270 nan 0.000 0.433 9 E N 0.145 120.374 120.200 0.048 0.000 2.152 9 E HA -0.078 4.273 4.350 0.001 0.000 0.192 9 E C 0.431 177.069 176.600 0.063 0.000 0.983 9 E CA 0.853 57.283 56.400 0.050 0.000 0.818 9 E CB 0.263 29.993 29.700 0.050 0.000 0.758 9 E HN 0.147 nan 8.360 nan 0.000 0.467 10 K N 0.240 120.694 120.400 0.090 0.000 3.309 10 K HA 0.130 4.451 4.320 0.001 0.000 0.187 10 K C -2.218 174.457 176.600 0.125 0.000 1.085 10 K CA -0.879 55.486 56.287 0.129 0.000 0.867 10 K CB 1.459 34.089 32.500 0.217 0.000 0.846 10 K HN -0.037 nan 8.250 nan 0.000 0.522 11 P HA -0.211 nan 4.420 nan 0.000 0.217 11 P C 0.382 177.709 177.300 0.045 0.000 1.148 11 P CA 1.284 64.410 63.100 0.043 0.000 0.828 11 P CB 0.405 32.124 31.700 0.031 0.000 0.783 12 D N -0.473 119.968 120.400 0.069 0.000 2.120 12 D HA -0.221 4.419 4.640 0.001 0.000 0.191 12 D C 2.089 178.450 176.300 0.100 0.000 0.994 12 D CA 1.307 55.351 54.000 0.073 0.000 0.838 12 D CB -1.465 39.380 40.800 0.077 0.000 0.976 12 D HN 0.285 nan 8.370 nan 0.000 0.447 13 Y N 1.567 121.868 120.300 0.003 0.000 2.081 13 Y HA -0.289 4.262 4.550 0.001 0.000 0.280 13 Y C 2.264 178.165 175.900 0.002 0.000 1.163 13 Y CA 1.559 59.659 58.100 -0.001 0.000 1.135 13 Y CB -0.377 38.081 38.460 -0.003 0.000 0.970 13 Y HN -0.171 nan 8.280 nan 0.000 0.498 14 V N 1.368 121.095 119.914 -0.311 0.000 2.324 14 V HA -0.373 3.748 4.120 0.001 0.000 0.250 14 V C 2.289 178.253 176.094 -0.217 0.000 1.060 14 V CA 2.489 64.554 62.300 -0.391 0.000 1.042 14 V CB -0.690 31.023 31.823 -0.183 0.000 0.650 14 V HN 0.427 nan 8.190 nan 0.000 0.450 15 K N 0.217 120.557 120.400 -0.101 0.000 2.148 15 K HA -0.219 4.102 4.320 0.001 0.000 0.204 15 K C 2.140 178.712 176.600 -0.046 0.000 1.050 15 K CA 1.671 57.926 56.287 -0.053 0.000 0.942 15 K CB -0.151 32.340 32.500 -0.016 0.000 0.724 15 K HN 0.768 nan 8.250 nan 0.000 0.446 16 E N 0.893 121.072 120.200 -0.036 0.000 2.208 16 E HA -0.113 4.238 4.350 0.001 0.000 0.193 16 E C 1.807 178.389 176.600 -0.031 0.000 0.988 16 E CA 0.909 57.305 56.400 -0.007 0.000 0.828 16 E CB 0.031 29.757 29.700 0.043 0.000 0.763 16 E HN 0.099 nan 8.360 nan 0.000 0.478 17 R N 0.367 120.807 120.500 -0.099 0.000 2.080 17 R HA 0.147 4.487 4.340 0.001 0.000 0.222 17 R C 2.477 178.722 176.300 -0.090 0.000 1.107 17 R CA 1.029 57.064 56.100 -0.108 0.000 0.980 17 R CB -0.395 29.773 30.300 -0.220 0.000 0.879 17 R HN 0.279 nan 8.270 nan 0.000 0.439 18 L N 0.612 121.775 121.223 -0.101 0.000 2.131 18 L HA -0.103 4.238 4.340 0.001 0.000 0.210 18 L C 2.565 179.417 176.870 -0.031 0.000 1.092 18 L CA 1.056 55.859 54.840 -0.062 0.000 0.759 18 L CB -0.612 41.418 42.059 -0.048 0.000 0.903 18 L HN 0.194 nan 8.230 nan 0.000 0.435 19 A N 0.132 122.935 122.820 -0.028 0.000 2.070 19 A HA -0.179 4.142 4.320 0.001 0.000 0.220 19 A C 2.279 179.859 177.584 -0.006 0.000 1.159 19 A CA 1.940 53.971 52.037 -0.010 0.000 0.656 19 A CB -0.756 18.240 19.000 -0.007 0.000 0.800 19 A HN 0.535 nan 8.150 nan 0.000 0.453 20 T N -3.609 110.937 114.554 -0.012 0.000 3.113 20 T HA 0.102 4.452 4.350 0.001 0.000 0.256 20 T C 1.707 176.403 174.700 -0.006 0.000 1.131 20 T CA 0.804 62.900 62.100 -0.007 0.000 1.074 20 T CB -0.040 68.824 68.868 -0.007 0.000 0.944 20 T HN 0.521 nan 8.240 nan 0.000 0.516 21 R N 0.513 121.008 120.500 -0.007 0.000 2.087 21 R HA 0.279 4.619 4.340 0.001 0.000 0.213 21 R C -0.169 176.142 176.300 0.017 0.000 1.137 21 R CA 0.612 56.713 56.100 0.002 0.000 1.022 21 R CB 0.400 30.698 30.300 -0.003 0.000 0.920 21 R HN 0.279 nan 8.270 nan 0.000 0.451 22 D N -0.418 119.993 120.400 0.018 0.000 2.614 22 D HA 0.004 4.644 4.640 0.001 0.000 0.203 22 D C -0.163 176.149 176.300 0.019 0.000 1.312 22 D CA -0.099 53.916 54.000 0.025 0.000 0.889 22 D CB 1.208 42.032 40.800 0.041 0.000 1.615 22 D HN 0.054 nan 8.370 nan 0.000 0.567 23 K N 1.899 122.308 120.400 0.015 0.000 2.286 23 K HA -0.142 4.179 4.320 0.001 0.000 0.203 23 K C 0.827 177.434 176.600 0.013 0.000 1.045 23 K CA 1.016 57.310 56.287 0.011 0.000 0.935 23 K CB 0.261 32.767 32.500 0.010 0.000 0.737 23 K HN 0.202 nan 8.250 nan 0.000 0.460 24 E N 0.552 120.763 120.200 0.018 0.000 2.478 24 E HA -0.049 4.301 4.350 0.001 0.000 0.198 24 E C 1.524 178.138 176.600 0.023 0.000 1.046 24 E CA 0.395 56.806 56.400 0.018 0.000 0.870 24 E CB 0.070 29.782 29.700 0.021 0.000 0.818 24 E HN 0.260 nan 8.360 nan 0.000 0.527 25 L N -0.071 121.169 121.223 0.028 0.000 2.270 25 L HA -0.025 4.316 4.340 0.001 0.000 0.210 25 L C 2.276 179.159 176.870 0.021 0.000 1.104 25 L CA 0.674 55.535 54.840 0.036 0.000 0.804 25 L CB -0.749 41.334 42.059 0.040 0.000 0.937 25 L HN -0.031 nan 8.230 nan 0.000 0.450 26 V N -0.419 119.501 119.914 0.010 0.000 2.439 26 V HA -0.343 3.778 4.120 0.001 0.000 0.253 26 V C 2.678 178.774 176.094 0.005 0.000 1.074 26 V CA 2.238 64.540 62.300 0.003 0.000 1.076 26 V CB -0.372 31.451 31.823 0.001 0.000 0.664 26 V HN 0.760 nan 8.190 nan 0.000 0.461 27 S N -0.751 114.952 115.700 0.006 0.000 2.399 27 S HA -0.156 4.315 4.470 0.001 0.000 0.231 27 S C 2.043 176.645 174.600 0.003 0.000 1.022 27 S CA 1.551 59.751 58.200 0.000 0.000 0.983 27 S CB -0.502 62.694 63.200 -0.006 0.000 0.803 27 S HN 0.460 nan 8.310 nan 0.000 0.480 28 L N 1.441 122.672 121.223 0.014 0.000 2.127 28 L HA -0.011 4.329 4.340 0.001 0.000 0.211 28 L C 2.630 179.513 176.870 0.023 0.000 1.089 28 L CA 1.256 56.112 54.840 0.026 0.000 0.757 28 L CB -1.306 40.790 42.059 0.062 0.000 0.899 28 L HN 0.317 nan 8.230 nan 0.000 0.434 29 V N -0.461 119.462 119.914 0.015 0.000 2.379 29 V HA -0.239 3.882 4.120 0.001 0.000 0.245 29 V C 2.240 178.339 176.094 0.008 0.000 1.044 29 V CA 1.543 63.849 62.300 0.010 0.000 1.036 29 V CB -0.420 31.403 31.823 -0.000 0.000 0.664 29 V HN 0.367 nan 8.190 nan 0.000 0.453 30 D N 0.037 120.439 120.400 0.005 0.000 2.117 30 D HA -0.199 4.442 4.640 0.001 0.000 0.197 30 D C 2.162 178.463 176.300 0.001 0.000 0.987 30 D CA 1.413 55.414 54.000 0.003 0.000 0.829 30 D CB -0.140 40.660 40.800 0.000 0.000 0.961 30 D HN 0.415 nan 8.370 nan 0.000 0.460 31 K N 0.821 121.220 120.400 -0.002 0.000 2.148 31 K HA -0.083 4.237 4.320 0.001 0.000 0.204 31 K C 1.986 178.587 176.600 0.001 0.000 1.050 31 K CA 0.532 56.815 56.287 -0.006 0.000 0.942 31 K CB 0.039 32.529 32.500 -0.017 0.000 0.724 31 K HN -0.076 nan 8.250 nan 0.000 0.446 32 V N 1.196 121.115 119.914 0.009 0.000 2.591 32 V HA -0.128 3.993 4.120 0.001 0.000 0.249 32 V C 1.931 178.033 176.094 0.013 0.000 1.053 32 V CA 1.091 63.400 62.300 0.015 0.000 1.068 32 V CB -0.101 31.737 31.823 0.025 0.000 0.689 32 V HN 0.298 nan 8.190 nan 0.000 0.462 33 L N -0.485 120.744 121.223 0.011 0.000 2.027 33 L HA -0.079 4.262 4.340 0.001 0.000 0.206 33 L C 2.752 179.627 176.870 0.008 0.000 1.074 33 L CA 1.440 56.286 54.840 0.011 0.000 0.745 33 L CB -0.728 41.337 42.059 0.011 0.000 0.898 33 L HN 0.249 nan 8.230 nan 0.000 0.433 34 E N 0.132 120.334 120.200 0.005 0.000 2.077 34 E HA -0.187 4.164 4.350 0.001 0.000 0.193 34 E C 2.285 178.887 176.600 0.002 0.000 0.989 34 E CA 1.004 57.405 56.400 0.002 0.000 0.800 34 E CB -0.369 29.330 29.700 -0.002 0.000 0.746 34 E HN 0.246 nan 8.360 nan 0.000 0.452 35 L N 1.362 122.586 121.223 0.002 0.000 2.017 35 L HA -0.182 4.158 4.340 0.001 0.000 0.208 35 L C 2.179 179.053 176.870 0.007 0.000 1.073 35 L CA 1.777 56.619 54.840 0.003 0.000 0.745 35 L CB -1.192 40.869 42.059 0.004 0.000 0.894 35 L HN 0.145 nan 8.230 nan 0.000 0.432 36 D N -0.133 120.273 120.400 0.010 0.000 2.123 36 D HA -0.238 4.403 4.640 0.001 0.000 0.196 36 D C 2.235 178.541 176.300 0.010 0.000 0.992 36 D CA 1.360 55.367 54.000 0.012 0.000 0.833 36 D CB 0.157 40.966 40.800 0.015 0.000 0.954 36 D HN 0.163 nan 8.370 nan 0.000 0.455 37 K N -0.297 120.108 120.400 0.009 0.000 2.002 37 K HA -0.190 4.130 4.320 0.001 0.000 0.209 37 K C 2.249 178.853 176.600 0.006 0.000 1.048 37 K CA 1.145 57.437 56.287 0.008 0.000 0.930 37 K CB -0.093 32.411 32.500 0.007 0.000 0.714 37 K HN -0.103 nan 8.250 nan 0.000 0.438 38 R N 1.274 121.777 120.500 0.005 0.000 2.159 38 R HA -0.076 4.264 4.340 0.001 0.000 0.237 38 R C 2.230 178.533 176.300 0.005 0.000 1.131 38 R CA 1.364 57.467 56.100 0.004 0.000 0.982 38 R CB -0.393 29.908 30.300 0.002 0.000 0.868 38 R HN 0.212 nan 8.270 nan 0.000 0.453 39 R N 0.872 121.376 120.500 0.007 0.000 2.070 39 R HA -0.143 4.198 4.340 0.001 0.000 0.233 39 R C 1.925 178.230 176.300 0.008 0.000 1.137 39 R CA 2.038 58.143 56.100 0.008 0.000 0.945 39 R CB -0.243 30.063 30.300 0.010 0.000 0.845 39 R HN 0.392 nan 8.270 nan 0.000 0.430 40 R N -0.268 120.237 120.500 0.009 0.000 2.236 40 R HA -0.034 4.307 4.340 0.001 0.000 0.208 40 R C 1.770 178.075 176.300 0.007 0.000 1.036 40 R CA 1.320 57.425 56.100 0.009 0.000 1.001 40 R CB -0.214 30.092 30.300 0.010 0.000 0.896 40 R HN 0.319 nan 8.270 nan 0.000 0.464 41 E N 1.505 121.709 120.200 0.007 0.000 2.076 41 E HA -0.032 4.318 4.350 0.001 0.000 0.190 41 E C 1.909 178.511 176.600 0.005 0.000 0.979 41 E CA 0.808 57.211 56.400 0.005 0.000 0.807 41 E CB 0.049 29.752 29.700 0.005 0.000 0.761 41 E HN 0.349 nan 8.360 nan 0.000 0.454 42 I N 1.185 121.758 120.570 0.005 0.000 2.286 42 I HA -0.237 3.934 4.170 0.001 0.000 0.248 42 I C 2.358 178.478 176.117 0.005 0.000 1.115 42 I CA 0.788 62.091 61.300 0.005 0.000 1.392 42 I CB -0.393 37.610 38.000 0.005 0.000 1.065 42 I HN 0.317 nan 8.210 nan 0.000 0.418 43 I N -1.139 119.434 120.570 0.006 0.000 2.493 43 I HA -0.170 4.000 4.170 0.001 0.000 0.254 43 I C 2.170 178.290 176.117 0.006 0.000 1.160 43 I CA 1.579 62.883 61.300 0.006 0.000 1.445 43 I CB -0.613 37.391 38.000 0.007 0.000 1.086 43 I HN -0.053 nan 8.210 nan 0.000 0.433 44 K N 1.142 121.545 120.400 0.005 0.000 2.098 44 K HA -0.016 4.304 4.320 0.001 0.000 0.203 44 K C 2.361 178.963 176.600 0.004 0.000 1.051 44 K CA 1.238 57.528 56.287 0.005 0.000 0.957 44 K CB -0.340 32.163 32.500 0.005 0.000 0.738 44 K HN 0.336 nan 8.250 nan 0.000 0.447 45 R N 0.720 121.222 120.500 0.004 0.000 2.096 45 R HA -0.072 4.268 4.340 0.001 0.000 0.235 45 R C 2.119 178.421 176.300 0.003 0.000 1.127 45 R CA 0.932 57.034 56.100 0.003 0.000 0.968 45 R CB -0.300 30.002 30.300 0.003 0.000 0.861 45 R HN -0.021 nan 8.270 nan 0.000 0.440 46 L N 0.768 121.993 121.223 0.004 0.000 2.044 46 L HA -0.036 4.305 4.340 0.001 0.000 0.205 46 L C 2.173 179.045 176.870 0.004 0.000 1.075 46 L CA 1.999 56.841 54.840 0.004 0.000 0.747 46 L CB -0.764 41.297 42.059 0.004 0.000 0.903 46 L HN 0.263 nan 8.230 nan 0.000 0.435 47 E N -0.519 119.683 120.200 0.004 0.000 2.284 47 E HA -0.247 4.104 4.350 0.001 0.000 0.200 47 E C 1.927 178.529 176.600 0.003 0.000 1.008 47 E CA 1.500 57.902 56.400 0.004 0.000 0.829 47 E CB -0.004 29.699 29.700 0.004 0.000 0.744 47 E HN 0.483 nan 8.360 nan 0.000 0.491 48 A N -0.322 122.500 122.820 0.003 0.000 1.871 48 A HA 0.044 4.364 4.320 0.001 0.000 0.211 48 A C 1.966 179.552 177.584 0.003 0.000 1.207 48 A CA 0.716 52.755 52.037 0.003 0.000 0.620 48 A CB -0.566 18.436 19.000 0.003 0.000 0.860 48 A HN 0.280 nan 8.150 nan 0.000 0.450 49 L N 0.298 121.523 121.223 0.003 0.000 2.081 49 L HA -0.160 4.181 4.340 0.001 0.000 0.212 49 L C 2.634 179.505 176.870 0.002 0.000 1.080 49 L CA 1.556 56.397 54.840 0.002 0.000 0.754 49 L CB -0.659 41.402 42.059 0.002 0.000 0.893 49 L HN 0.300 nan 8.230 nan 0.000 0.433 50 R N -1.393 119.108 120.500 0.003 0.000 2.073 50 R HA -0.148 4.192 4.340 0.001 0.000 0.234 50 R C 2.495 178.796 176.300 0.002 0.000 1.134 50 R CA 1.637 57.738 56.100 0.003 0.000 0.952 50 R CB -0.895 29.407 30.300 0.003 0.000 0.850 50 R HN 0.404 nan 8.270 nan 0.000 0.433 51 S N 0.515 116.217 115.700 0.002 0.000 2.383 51 S HA -0.161 4.310 4.470 0.001 0.000 0.227 51 S C 1.868 176.469 174.600 0.002 0.000 1.026 51 S CA 1.376 59.577 58.200 0.002 0.000 0.981 51 S CB 0.035 63.237 63.200 0.002 0.000 0.818 51 S HN 0.344 nan 8.310 nan 0.000 0.472 52 E N 0.554 120.756 120.200 0.002 0.000 2.047 52 E HA -0.127 4.223 4.350 0.001 0.000 0.191 52 E C 2.395 178.997 176.600 0.002 0.000 0.987 52 E CA 0.837 57.238 56.400 0.002 0.000 0.799 52 E CB -0.162 29.538 29.700 0.002 0.000 0.752 52 E HN 0.505 nan 8.360 nan 0.000 0.449 53 R N 0.457 120.958 120.500 0.002 0.000 2.070 53 R HA -0.161 4.180 4.340 0.001 0.000 0.233 53 R C 1.876 178.177 176.300 0.002 0.000 1.137 53 R CA 2.012 58.113 56.100 0.002 0.000 0.945 53 R CB -0.201 30.100 30.300 0.002 0.000 0.845 53 R HN 0.103 nan 8.270 nan 0.000 0.430 54 N N 0.633 119.334 118.700 0.002 0.000 2.205 54 N HA -0.187 4.553 4.740 0.001 0.000 0.186 54 N C 1.490 177.001 175.510 0.002 0.000 1.015 54 N CA 1.404 54.455 53.050 0.002 0.000 0.862 54 N CB -0.098 38.391 38.487 0.002 0.000 0.986 54 N HN 0.279 nan 8.380 nan 0.000 0.429 55 K N 0.108 120.509 120.400 0.002 0.000 2.062 55 K HA -0.047 4.274 4.320 0.001 0.000 0.205 55 K C 1.479 178.080 176.600 0.001 0.000 1.051 55 K CA 0.818 57.106 56.287 0.001 0.000 0.941 55 K CB -0.046 32.455 32.500 0.001 0.000 0.719 55 K HN 0.007 nan 8.250 nan 0.000 0.440 56 L N 1.379 122.603 121.223 0.001 0.000 2.027 56 L HA -0.136 4.204 4.340 0.001 0.000 0.206 56 L C 2.549 179.419 176.870 0.001 0.000 1.074 56 L CA 1.958 56.799 54.840 0.001 0.000 0.745 56 L CB -0.862 41.198 42.059 0.001 0.000 0.898 56 L HN 0.297 nan 8.230 nan 0.000 0.433 57 S N -0.732 114.969 115.700 0.001 0.000 2.400 57 S HA -0.285 4.186 4.470 0.001 0.000 0.232 57 S C 2.033 176.634 174.600 0.001 0.000 1.025 57 S CA 1.444 59.645 58.200 0.001 0.000 0.993 57 S CB -0.437 62.764 63.200 0.001 0.000 0.808 57 S HN 0.333 nan 8.310 nan 0.000 0.478 58 K N 1.492 121.893 120.400 0.001 0.000 2.097 58 K HA 0.023 4.344 4.320 0.001 0.000 0.205 58 K C 2.022 178.623 176.600 0.001 0.000 1.050 58 K CA 1.347 57.635 56.287 0.001 0.000 0.938 58 K CB -0.273 32.227 32.500 0.001 0.000 0.718 58 K HN 0.257 nan 8.250 nan 0.000 0.442 59 E N 0.383 120.584 120.200 0.001 0.000 2.358 59 E HA -0.034 4.317 4.350 0.001 0.000 0.195 59 E C 1.666 178.266 176.600 0.001 0.000 1.010 59 E CA 0.943 57.344 56.400 0.001 0.000 0.856 59 E CB 0.107 29.808 29.700 0.001 0.000 0.795 59 E HN 0.669 nan 8.360 nan 0.000 0.504 60 I N -4.011 116.560 120.570 0.001 0.000 3.883 60 I HA 0.288 4.458 4.170 0.001 0.000 0.326 60 I C 1.678 177.795 176.117 0.001 0.000 1.283 60 I CA 0.459 61.760 61.300 0.001 0.000 1.161 60 I CB 0.210 38.210 38.000 0.001 0.000 1.012 60 I HN -0.166 nan 8.210 nan 0.000 0.421 61 G N 1.467 110.267 108.800 0.001 0.000 2.510 61 G HA2 -0.048 3.913 3.960 0.001 0.000 0.212 61 G HA3 -0.048 3.913 3.960 0.001 0.000 0.212 61 G C 1.511 176.411 174.900 0.001 0.000 1.151 61 G CA 0.020 45.120 45.100 0.001 0.000 0.817 61 G HN 0.173 nan 8.290 nan 0.000 0.534 62 K N -0.440 119.960 120.400 0.001 0.000 2.366 62 K HA 0.231 4.551 4.320 0.001 0.000 0.198 62 K C 1.846 178.447 176.600 0.001 0.000 1.044 62 K CA 0.124 56.411 56.287 0.001 0.000 0.973 62 K CB -0.063 32.437 32.500 0.001 0.000 0.767 62 K HN 0.232 nan 8.250 nan 0.000 0.475 63 L N 0.763 121.987 121.223 0.001 0.000 2.591 63 L HA 0.052 4.393 4.340 0.001 0.000 0.228 63 L C 1.483 178.353 176.870 0.001 0.000 1.133 63 L CA 0.900 55.740 54.840 0.001 0.000 0.880 63 L CB -0.176 41.883 42.059 0.001 0.000 1.033 63 L HN 0.084 nan 8.230 nan 0.000 0.450 64 K N -0.598 119.803 120.400 0.001 0.000 2.147 64 K HA -0.155 4.165 4.320 0.001 0.000 0.205 64 K C 1.020 177.620 176.600 0.001 0.000 1.049 64 K CA 0.988 57.275 56.287 0.001 0.000 0.936 64 K CB -0.260 32.240 32.500 0.001 0.000 0.722 64 K HN -0.010 nan 8.250 nan 0.000 0.446 65 R N 2.286 122.786 120.500 0.001 0.000 4.113 65 R HA 0.068 4.408 4.340 0.001 0.000 0.179 65 R C -0.985 175.315 176.300 0.001 0.000 1.781 65 R CA 0.178 56.278 56.100 0.001 0.000 1.402 65 R CB -0.942 29.358 30.300 0.001 0.000 1.375 65 R HN 0.287 nan 8.270 nan 0.000 0.786 66 E N -0.267 119.933 120.200 0.000 0.000 6.936 66 E HA -0.154 4.197 4.350 0.001 0.000 0.409 66 E C -0.449 176.151 176.600 0.000 0.000 0.654 66 E CA 1.517 57.917 56.400 0.000 0.000 0.939 66 E CB -0.857 28.843 29.700 0.000 0.000 0.900 66 E HN 0.690 nan 8.360 nan 0.000 0.312 67 G N 3.252 112.052 108.800 0.000 0.000 2.377 67 G HA2 0.407 4.368 3.960 0.001 0.000 0.297 67 G HA3 0.407 4.368 3.960 0.001 0.000 0.297 67 G C -0.237 174.663 174.900 0.001 0.000 1.547 67 G CA -0.184 44.916 45.100 0.000 0.000 0.833 67 G HN 0.261 nan 8.290 nan 0.000 0.583 68 K N -0.562 119.838 120.400 0.000 0.000 2.374 68 K HA 0.109 4.430 4.320 0.001 0.000 0.202 68 K C 1.237 177.837 176.600 0.001 0.000 1.040 68 K CA -0.044 56.243 56.287 0.000 0.000 1.085 68 K CB 0.629 33.129 32.500 0.000 0.000 0.873 68 K HN 0.439 nan 8.250 nan 0.000 0.539 69 D N 1.589 121.989 120.400 0.001 0.000 2.271 69 D HA -0.156 4.485 4.640 0.001 0.000 0.207 69 D C 0.938 177.239 176.300 0.001 0.000 0.983 69 D CA 1.065 55.066 54.000 0.001 0.000 0.878 69 D CB -0.062 40.738 40.800 0.001 0.000 0.920 69 D HN -0.038 nan 8.370 nan 0.000 0.479 70 T N -0.942 113.613 114.554 0.001 0.000 4.456 70 T HA 0.042 4.392 4.350 0.001 0.000 0.241 70 T C 0.439 175.139 174.700 0.001 0.000 0.793 70 T CA 1.157 63.257 62.100 0.001 0.000 0.924 70 T CB -0.646 68.223 68.868 0.001 0.000 1.362 70 T HN 0.151 nan 8.240 nan 0.000 0.754 71 T N -0.460 114.094 114.554 0.001 0.000 3.607 71 T HA 0.104 4.455 4.350 0.001 0.000 0.295 71 T C 1.270 175.971 174.700 0.001 0.000 0.884 71 T CA -0.223 61.878 62.100 0.001 0.000 1.041 71 T CB -0.285 68.583 68.868 0.001 0.000 1.172 71 T HN 0.411 nan 8.240 nan 0.000 0.536 72 E N 0.872 121.072 120.200 0.001 0.000 2.358 72 E HA 0.119 4.470 4.350 0.001 0.000 0.195 72 E C 1.729 178.330 176.600 0.001 0.000 1.010 72 E CA 0.664 57.064 56.400 0.001 0.000 0.856 72 E CB 0.215 29.915 29.700 0.001 0.000 0.795 72 E HN 0.526 nan 8.360 nan 0.000 0.504 73 I N -0.338 120.232 120.570 0.001 0.000 3.039 73 I HA -0.072 4.099 4.170 0.001 0.000 0.270 73 I C 2.193 178.311 176.117 0.001 0.000 1.150 73 I CA 0.126 61.427 61.300 0.001 0.000 1.448 73 I CB 0.202 38.203 38.000 0.001 0.000 1.197 73 I HN 0.010 nan 8.210 nan 0.000 0.450 74 Q N 0.820 120.620 119.800 0.001 0.000 2.541 74 Q HA -0.192 4.148 4.340 0.001 0.000 0.215 74 Q C 1.028 177.028 176.000 0.001 0.000 0.977 74 Q CA 0.976 56.780 55.803 0.001 0.000 0.934 74 Q CB -0.045 28.693 28.738 0.001 0.000 0.988 74 Q HN 0.514 nan 8.270 nan 0.000 0.521 75 N N -0.698 118.003 118.700 0.001 0.000 2.463 75 N HA 0.027 4.768 4.740 0.001 0.000 0.183 75 N C 1.262 176.773 175.510 0.001 0.000 1.064 75 N CA 0.111 53.162 53.050 0.001 0.000 0.879 75 N CB 0.330 38.818 38.487 0.001 0.000 1.148 75 N HN -0.008 nan 8.380 nan 0.000 0.451 76 R N 0.218 120.719 120.500 0.001 0.000 2.189 76 R HA 0.068 4.408 4.340 0.001 0.000 0.223 76 R C 1.325 177.625 176.300 0.001 0.000 1.092 76 R CA 0.540 56.640 56.100 0.001 0.000 0.989 76 R CB -0.328 29.973 30.300 0.001 0.000 0.876 76 R HN 0.210 nan 8.270 nan 0.000 0.457 77 V N 0.348 120.262 119.914 0.001 0.000 2.599 77 V HA -0.091 4.029 4.120 0.001 0.000 0.245 77 V C 2.341 178.435 176.094 0.001 0.000 1.046 77 V CA 1.198 63.499 62.300 0.001 0.000 1.065 77 V CB -0.264 31.560 31.823 0.001 0.000 0.703 77 V HN 0.183 nan 8.190 nan 0.000 0.464 78 K N 0.358 120.759 120.400 0.001 0.000 2.155 78 K HA -0.172 4.149 4.320 0.001 0.000 0.203 78 K C 2.138 178.738 176.600 0.001 0.000 1.052 78 K CA 1.473 57.760 56.287 0.001 0.000 0.948 78 K CB 0.017 32.517 32.500 0.001 0.000 0.728 78 K HN 0.516 nan 8.250 nan 0.000 0.448 79 E N 0.102 120.303 120.200 0.001 0.000 2.107 79 E HA -0.176 4.174 4.350 0.001 0.000 0.191 79 E C 1.879 178.479 176.600 0.001 0.000 0.982 79 E CA 0.619 57.020 56.400 0.001 0.000 0.809 79 E CB 0.078 29.778 29.700 0.001 0.000 0.756 79 E HN 0.185 nan 8.360 nan 0.000 0.459 80 L N 1.572 122.796 121.223 0.001 0.000 2.005 80 L HA -0.123 4.218 4.340 0.001 0.000 0.207 80 L C 2.312 179.183 176.870 0.002 0.000 1.072 80 L CA 1.881 56.722 54.840 0.001 0.000 0.744 80 L CB -0.383 41.676 42.059 0.001 0.000 0.895 80 L HN -0.052 nan 8.230 nan 0.000 0.433 81 K N -0.994 119.407 120.400 0.002 0.000 2.365 81 K HA -0.112 4.209 4.320 0.001 0.000 0.199 81 K C 1.392 177.993 176.600 0.002 0.000 1.045 81 K CA 0.689 56.977 56.287 0.002 0.000 0.962 81 K CB 0.146 32.647 32.500 0.002 0.000 0.759 81 K HN 0.254 nan 8.250 nan 0.000 0.469 82 E N 0.501 120.702 120.200 0.002 0.000 2.481 82 E HA -0.083 4.268 4.350 0.001 0.000 0.195 82 E C 0.799 177.400 176.600 0.001 0.000 1.047 82 E CA 0.665 57.066 56.400 0.001 0.000 0.867 82 E CB 0.496 30.197 29.700 0.001 0.000 0.858 82 E HN 0.268 nan 8.360 nan 0.000 0.513 83 E N -0.366 119.835 120.200 0.002 0.000 2.434 83 E HA 0.093 4.443 4.350 0.001 0.000 0.207 83 E C 1.987 178.588 176.600 0.002 0.000 0.929 83 E CA -0.032 56.369 56.400 0.002 0.000 1.001 83 E CB 0.107 29.807 29.700 0.001 0.000 1.016 83 E HN 0.343 nan 8.360 nan 0.000 0.502 84 I N -0.400 120.172 120.570 0.002 0.000 2.315 84 I HA -0.172 3.999 4.170 0.001 0.000 0.248 84 I C 1.430 177.549 176.117 0.003 0.000 1.117 84 I CA 1.819 63.121 61.300 0.003 0.000 1.404 84 I CB -0.414 37.588 38.000 0.003 0.000 1.071 84 I HN -0.120 nan 8.210 nan 0.000 0.419 85 D N 1.088 121.490 120.400 0.003 0.000 2.149 85 D HA -0.236 4.405 4.640 0.001 0.000 0.201 85 D C 2.302 178.604 176.300 0.003 0.000 0.972 85 D CA 0.825 54.827 54.000 0.003 0.000 0.835 85 D CB -0.524 40.278 40.800 0.003 0.000 0.966 85 D HN 0.370 nan 8.370 nan 0.000 0.476 86 R N 0.216 120.717 120.500 0.002 0.000 2.139 86 R HA -0.088 4.253 4.340 0.001 0.000 0.243 86 R C 1.885 178.186 176.300 0.002 0.000 1.145 86 R CA 1.095 57.196 56.100 0.002 0.000 0.976 86 R CB -0.163 30.138 30.300 0.001 0.000 0.866 86 R HN 0.307 nan 8.270 nan 0.000 0.449 87 L N -0.382 120.843 121.223 0.002 0.000 2.168 87 L HA 0.004 4.344 4.340 0.001 0.000 0.203 87 L C 2.154 179.026 176.870 0.004 0.000 1.078 87 L CA 0.787 55.628 54.840 0.003 0.000 0.780 87 L CB -0.331 41.729 42.059 0.003 0.000 0.939 87 L HN 0.196 nan 8.230 nan 0.000 0.451 88 E N 0.141 120.343 120.200 0.004 0.000 2.097 88 E HA -0.255 4.095 4.350 0.001 0.000 0.196 88 E C 1.672 178.275 176.600 0.005 0.000 1.000 88 E CA 0.990 57.393 56.400 0.005 0.000 0.804 88 E CB -0.020 29.683 29.700 0.005 0.000 0.740 88 E HN 0.241 nan 8.360 nan 0.000 0.454 89 E N 0.399 120.602 120.200 0.004 0.000 2.526 89 E HA -0.119 4.232 4.350 0.001 0.000 0.198 89 E C 1.178 177.781 176.600 0.004 0.000 1.091 89 E CA 0.441 56.843 56.400 0.004 0.000 0.880 89 E CB 0.196 29.898 29.700 0.003 0.000 0.873 89 E HN 0.357 nan 8.360 nan 0.000 0.527 90 E N -0.797 119.405 120.200 0.004 0.000 2.474 90 E HA -0.037 4.313 4.350 0.001 0.000 0.215 90 E C 1.673 178.275 176.600 0.004 0.000 0.867 90 E CA -0.098 56.304 56.400 0.003 0.000 1.135 90 E CB 0.234 29.935 29.700 0.002 0.000 1.147 90 E HN 0.118 nan 8.360 nan 0.000 0.534 91 L N 1.627 122.853 121.223 0.005 0.000 2.095 91 L HA 0.083 4.424 4.340 0.001 0.000 0.204 91 L C 2.396 179.271 176.870 0.008 0.000 1.080 91 L CA 1.651 56.495 54.840 0.007 0.000 0.759 91 L CB -0.555 41.508 42.059 0.007 0.000 0.914 91 L HN -0.019 nan 8.230 nan 0.000 0.439 92 R N -0.080 120.425 120.500 0.008 0.000 2.097 92 R HA -0.176 4.165 4.340 0.001 0.000 0.236 92 R C 2.269 178.575 176.300 0.010 0.000 1.135 92 R CA 2.099 58.205 56.100 0.010 0.000 0.934 92 R CB -0.180 30.125 30.300 0.009 0.000 0.846 92 R HN 0.317 nan 8.270 nan 0.000 0.431 93 K N -0.434 119.970 120.400 0.008 0.000 2.283 93 K HA -0.070 4.251 4.320 0.001 0.000 0.202 93 K C 1.869 178.472 176.600 0.006 0.000 1.048 93 K CA 1.042 57.333 56.287 0.007 0.000 0.948 93 K CB 0.141 32.644 32.500 0.004 0.000 0.742 93 K HN 0.129 nan 8.250 nan 0.000 0.458 94 V N 1.410 121.328 119.914 0.006 0.000 2.649 94 V HA -0.117 4.003 4.120 0.001 0.000 0.248 94 V C 1.731 177.831 176.094 0.010 0.000 1.054 94 V CA 1.379 63.682 62.300 0.006 0.000 1.073 94 V CB -0.126 31.700 31.823 0.005 0.000 0.699 94 V HN 0.280 nan 8.190 nan 0.000 0.463 95 E N -0.188 120.019 120.200 0.012 0.000 2.208 95 E HA -0.201 4.149 4.350 0.001 0.000 0.193 95 E C 2.078 178.690 176.600 0.020 0.000 0.988 95 E CA 0.882 57.292 56.400 0.016 0.000 0.828 95 E CB 0.088 29.798 29.700 0.016 0.000 0.763 95 E HN 0.676 nan 8.360 nan 0.000 0.478 96 E N 1.702 121.914 120.200 0.019 0.000 2.007 96 E HA -0.261 4.090 4.350 0.001 0.000 0.194 96 E C 2.015 178.631 176.600 0.027 0.000 0.999 96 E CA 1.136 57.551 56.400 0.024 0.000 0.811 96 E CB -0.002 29.710 29.700 0.020 0.000 0.762 96 E HN 0.155 nan 8.360 nan 0.000 0.450 97 E N 0.020 120.230 120.200 0.016 0.000 2.331 97 E HA -0.197 4.153 4.350 0.001 0.000 0.199 97 E C 2.107 178.719 176.600 0.020 0.000 1.008 97 E CA 0.535 56.942 56.400 0.011 0.000 0.843 97 E CB 0.000 29.696 29.700 -0.007 0.000 0.761 97 E HN 0.260 nan 8.360 nan 0.000 0.507 98 L N 1.435 122.672 121.223 0.024 0.000 2.023 98 L HA -0.111 4.230 4.340 0.001 0.000 0.205 98 L C 2.324 179.220 176.870 0.044 0.000 1.073 98 L CA 1.967 56.824 54.840 0.028 0.000 0.745 98 L CB -0.597 41.475 42.059 0.023 0.000 0.900 98 L HN -0.034 nan 8.230 nan 0.000 0.435 99 K N -0.223 120.203 120.400 0.043 0.000 2.020 99 K HA -0.249 4.072 4.320 0.001 0.000 0.212 99 K C 1.818 178.468 176.600 0.083 0.000 1.050 99 K CA 2.347 58.664 56.287 0.050 0.000 0.929 99 K CB -0.407 32.119 32.500 0.043 0.000 0.714 99 K HN 0.590 nan 8.250 nan 0.000 0.443 100 N N -0.473 118.289 118.700 0.103 0.000 2.084 100 N HA -0.134 4.607 4.740 0.001 0.000 0.190 100 N C 1.725 177.403 175.510 0.280 0.000 1.030 100 N CA 1.793 54.955 53.050 0.187 0.000 0.849 100 N CB -0.265 38.314 38.487 0.154 0.000 1.012 100 N HN 0.240 nan 8.380 nan 0.000 0.423 101 T N 1.927 116.574 114.554 0.154 0.000 2.699 101 T HA -0.121 4.230 4.350 0.001 0.000 0.268 101 T C 2.044 176.872 174.700 0.214 0.000 1.036 101 T CA 0.935 63.121 62.100 0.142 0.000 1.147 101 T CB -0.332 68.567 68.868 0.052 0.000 0.862 101 T HN 0.151 nan 8.240 nan 0.000 0.446 102 L N 0.292 121.604 121.223 0.148 0.000 2.046 102 L HA -0.029 4.311 4.340 0.001 0.000 0.208 102 L C 2.311 179.271 176.870 0.150 0.000 1.077 102 L CA 1.074 55.983 54.840 0.116 0.000 0.747 102 L CB -0.531 41.559 42.059 0.051 0.000 0.896 102 L HN 0.249 nan 8.230 nan 0.000 0.432 103 L N -1.996 119.327 121.223 0.167 0.000 2.549 103 L HA -0.179 4.162 4.340 0.001 0.000 0.229 103 L C 1.498 178.476 176.870 0.180 0.000 1.158 103 L CA 0.774 55.689 54.840 0.125 0.000 0.842 103 L CB -0.293 41.797 42.059 0.052 0.000 0.952 103 L HN 0.401 nan 8.230 nan 0.000 0.452 104 W N -0.559 120.850 121.300 0.181 0.000 3.278 104 W HA 0.239 4.900 4.660 0.001 0.000 0.308 104 W C 0.569 177.305 176.519 0.362 0.000 1.253 104 W CA -0.424 57.053 57.345 0.220 0.000 1.759 104 W CB 0.237 29.736 29.460 0.064 0.000 1.093 104 W HN -0.133 nan 8.180 nan 0.000 0.648 105 I N 4.165 125.004 120.570 0.449 0.000 2.342 105 I HA 0.141 4.312 4.170 0.001 0.000 0.291 105 I C -1.517 174.645 176.117 0.076 0.000 1.010 105 I CA -2.045 59.420 61.300 0.274 0.000 1.308 105 I CB 0.853 38.946 38.000 0.155 0.000 1.400 105 I HN -0.437 nan 8.210 nan 0.000 0.488 106 P HA -0.002 nan 4.420 nan 0.000 0.273 106 P C -0.672 176.307 177.300 -0.535 0.000 1.250 106 P CA -0.439 62.196 63.100 -0.775 0.000 0.793 106 P CB 0.555 32.052 31.700 -0.339 0.000 1.011 107 N N 0.663 118.777 118.700 -0.977 0.000 2.518 107 N HA 0.055 4.796 4.740 0.001 0.000 0.266 107 N C -0.435 174.895 175.510 -0.300 0.000 1.196 107 N CA -0.070 52.569 53.050 -0.685 0.000 0.947 107 N CB -0.038 37.823 38.487 -1.044 0.000 1.098 107 N HN 0.219 nan 8.380 nan 0.000 0.450 108 L N 5.075 126.214 121.223 -0.140 0.000 2.361 108 L HA 0.278 4.619 4.340 0.001 0.000 0.278 108 L C -1.728 175.105 176.870 -0.062 0.000 1.113 108 L CA -1.227 53.543 54.840 -0.117 0.000 0.849 108 L CB 0.309 42.289 42.059 -0.131 0.000 1.155 108 L HN 0.386 nan 8.230 nan 0.000 0.452 109 P HA 0.000 nan 4.420 nan 0.000 0.269 109 P C -0.180 177.169 177.300 0.081 0.000 1.209 109 P CA -0.161 62.942 63.100 0.005 0.000 0.776 109 P CB 0.553 32.244 31.700 -0.015 0.000 0.876 110 H N 5.258 124.346 119.070 0.030 0.000 2.815 110 H HA 0.034 4.590 4.556 0.001 0.000 0.350 110 H C -1.155 174.176 175.328 0.006 0.000 1.080 110 H CA -1.106 54.964 56.048 0.038 0.000 1.433 110 H CB 0.740 30.529 29.762 0.046 0.000 1.432 110 H HN 0.252 nan 8.280 nan 0.000 0.592 111 P HA -0.218 nan 4.420 nan 0.000 0.217 111 P C 1.436 178.755 177.300 0.031 0.000 1.148 111 P CA 1.903 64.935 63.100 -0.114 0.000 0.828 111 P CB 0.046 31.619 31.700 -0.211 0.000 0.783 112 S N -0.945 114.900 115.700 0.242 0.000 2.469 112 S HA -0.050 4.421 4.470 0.001 0.000 0.238 112 S C 1.024 175.684 174.600 0.101 0.000 0.998 112 S CA 0.291 58.612 58.200 0.201 0.000 0.957 112 S CB -1.417 61.911 63.200 0.213 0.000 0.764 112 S HN -0.051 nan 8.310 nan 0.000 0.514 113 V N 4.991 124.967 119.914 0.103 0.000 2.572 113 V HA 0.272 4.393 4.120 0.001 0.000 0.291 113 V C -1.755 174.346 176.094 0.012 0.000 1.039 113 V CA -1.780 60.535 62.300 0.025 0.000 1.055 113 V CB 0.365 32.200 31.823 0.019 0.000 0.969 113 V HN 0.404 nan 8.190 nan 0.000 0.482 114 P HA 0.208 nan 4.420 nan 0.000 0.275 114 P C -0.640 176.658 177.300 -0.002 0.000 1.228 114 P CA -0.137 62.962 63.100 -0.001 0.000 0.786 114 P CB 0.999 32.697 31.700 -0.004 0.000 0.927 115 V N 1.761 121.676 119.914 0.002 0.000 2.607 115 V HA 0.725 4.845 4.120 0.001 0.000 0.289 115 V C 1.022 177.118 176.094 0.002 0.000 1.053 115 V CA 0.257 62.558 62.300 0.002 0.000 0.996 115 V CB 0.811 32.637 31.823 0.005 0.000 0.995 115 V HN 0.979 nan 8.190 nan 0.000 0.476 116 G N 2.576 111.377 108.800 0.001 0.000 2.601 116 G HA2 0.505 4.466 3.960 0.001 0.000 0.291 116 G HA3 0.505 4.466 3.960 0.001 0.000 0.291 116 G C -0.346 174.557 174.900 0.006 0.000 1.456 116 G CA -0.275 44.827 45.100 0.004 0.000 0.804 116 G HN 0.536 nan 8.290 nan 0.000 0.499 117 E N -0.803 119.403 120.200 0.009 0.000 2.166 117 E HA 0.163 4.514 4.350 0.001 0.000 0.192 117 E C 0.691 177.299 176.600 0.013 0.000 0.967 117 E CA 1.358 57.765 56.400 0.012 0.000 0.840 117 E CB 0.395 30.103 29.700 0.013 0.000 0.795 117 E HN 0.673 nan 8.360 nan 0.000 0.470 118 D N -2.415 117.992 120.400 0.012 0.000 2.838 118 D HA 0.025 4.666 4.640 0.001 0.000 0.334 118 D C 0.415 176.722 176.300 0.011 0.000 1.315 118 D CA -0.310 53.698 54.000 0.013 0.000 0.917 118 D CB -0.043 40.767 40.800 0.016 0.000 1.435 118 D HN -0.244 nan 8.370 nan 0.000 0.517 119 E N -0.106 120.101 120.200 0.013 0.000 2.233 119 E HA -0.176 4.175 4.350 0.001 0.000 0.199 119 E C 1.471 178.083 176.600 0.020 0.000 1.004 119 E CA 1.466 57.875 56.400 0.015 0.000 0.819 119 E CB -0.122 29.589 29.700 0.018 0.000 0.738 119 E HN 0.288 nan 8.360 nan 0.000 0.478 120 K N 0.599 121.012 120.400 0.021 0.000 2.283 120 K HA -0.066 4.254 4.320 0.001 0.000 0.202 120 K C 0.471 177.084 176.600 0.020 0.000 1.048 120 K CA 0.790 57.092 56.287 0.024 0.000 0.948 120 K CB 0.085 32.599 32.500 0.023 0.000 0.742 120 K HN 0.244 nan 8.250 nan 0.000 0.458 121 D N 0.955 121.364 120.400 0.015 0.000 2.342 121 D HA 0.030 4.671 4.640 0.001 0.000 0.221 121 D C -0.106 176.198 176.300 0.007 0.000 1.101 121 D CA -0.052 53.954 54.000 0.011 0.000 0.837 121 D CB 0.145 40.950 40.800 0.009 0.000 0.938 121 D HN 0.036 nan 8.370 nan 0.000 0.508 122 N N 0.411 119.116 118.700 0.008 0.000 2.503 122 N HA 0.134 4.874 4.740 0.001 0.000 0.267 122 N C -0.234 175.281 175.510 0.008 0.000 1.214 122 N CA -0.067 52.985 53.050 0.003 0.000 0.959 122 N CB 1.644 40.136 38.487 0.008 0.000 1.142 122 N HN -0.205 nan 8.380 nan 0.000 0.455 123 V N 0.903 120.821 119.914 0.006 0.000 2.384 123 V HA 0.163 4.284 4.120 0.001 0.000 0.287 123 V C 0.379 176.491 176.094 0.029 0.000 1.020 123 V CA -0.852 61.458 62.300 0.016 0.000 0.850 123 V CB 1.302 33.134 31.823 0.015 0.000 0.987 123 V HN 0.618 nan 8.190 nan 0.000 0.436 124 E N 3.246 123.461 120.200 0.024 0.000 2.344 124 E HA 0.169 4.520 4.350 0.001 0.000 0.270 124 E C 0.682 177.307 176.600 0.042 0.000 1.021 124 E CA -0.044 56.369 56.400 0.022 0.000 0.887 124 E CB 1.512 31.207 29.700 -0.008 0.000 0.997 124 E HN 0.652 nan 8.360 nan 0.000 0.429 125 V N 2.470 122.426 119.914 0.071 0.000 3.621 125 V HA 0.313 4.433 4.120 0.001 0.000 0.263 125 V C 0.114 176.241 176.094 0.054 0.000 1.272 125 V CA 0.722 63.074 62.300 0.087 0.000 1.080 125 V CB -0.555 31.370 31.823 0.171 0.000 0.816 125 V HN 0.813 nan 8.190 nan 0.000 0.451 126 R N -0.632 119.889 120.500 0.035 0.000 3.321 126 R HA 0.498 4.838 4.340 0.001 0.000 0.271 126 R C -1.409 174.885 176.300 -0.011 0.000 0.994 126 R CA -0.873 55.238 56.100 0.017 0.000 0.920 126 R CB 0.534 30.858 30.300 0.040 0.000 1.271 126 R HN 0.219 nan 8.270 nan 0.000 0.531 127 R N 0.458 120.928 120.500 -0.050 0.000 2.939 127 R HA 0.593 4.934 4.340 0.001 0.000 0.254 127 R C -1.515 174.705 176.300 -0.133 0.000 1.123 127 R CA -0.897 55.127 56.100 -0.127 0.000 1.020 127 R CB 2.096 32.317 30.300 -0.131 0.000 1.206 127 R HN 0.723 nan 8.270 nan 0.000 0.491 128 W N -0.350 120.642 121.300 -0.513 0.000 3.573 128 W HA 0.422 5.083 4.660 0.001 0.000 0.306 128 W C -0.797 175.498 176.519 -0.373 0.000 1.227 128 W CA 0.567 57.610 57.345 -0.502 0.000 1.212 128 W CB 1.663 30.641 29.460 -0.804 0.000 1.331 128 W HN 0.893 nan 8.180 nan 0.000 0.524 129 G N 3.245 111.391 108.800 -1.091 0.000 2.731 129 G HA2 -0.034 3.927 3.960 0.001 0.000 0.686 129 G HA3 -0.034 3.927 3.960 0.001 0.000 0.686 129 G C -1.214 173.429 174.900 -0.428 0.000 1.395 129 G CA -0.642 43.955 45.100 -0.839 0.000 0.870 129 G HN 0.563 nan 8.290 nan 0.000 0.591 130 E N 1.958 121.926 120.200 -0.386 0.000 2.129 130 E HA 0.513 4.864 4.350 0.001 0.000 0.268 130 E C -1.835 174.542 176.600 -0.371 0.000 0.900 130 E CA -1.521 54.676 56.400 -0.338 0.000 0.755 130 E CB 1.363 30.885 29.700 -0.297 0.000 1.117 130 E HN 0.551 nan 8.360 nan 0.000 0.410 131 P HA -0.117 nan 4.420 nan 0.000 0.260 131 P C -0.129 176.918 177.300 -0.422 0.000 1.172 131 P CA 0.057 62.727 63.100 -0.717 0.000 0.760 131 P CB 0.482 31.143 31.700 -1.733 0.000 0.773 132 R N 3.108 123.440 120.500 -0.280 0.000 2.566 132 R HA -0.038 4.303 4.340 0.001 0.000 0.273 132 R C 0.214 176.333 176.300 -0.302 0.000 0.981 132 R CA 0.312 56.218 56.100 -0.324 0.000 1.091 132 R CB 0.356 30.395 30.300 -0.434 0.000 0.924 132 R HN 0.267 nan 8.270 nan 0.000 0.411 133 K N 4.653 124.853 120.400 -0.333 0.000 2.211 133 K HA 0.188 4.509 4.320 0.001 0.000 0.275 133 K C -1.264 175.121 176.600 -0.358 0.000 1.024 133 K CA -0.371 55.782 56.287 -0.223 0.000 0.887 133 K CB 0.577 32.977 32.500 -0.167 0.000 1.084 133 K HN 0.398 nan 8.250 nan 0.000 0.463 134 F N 3.118 122.958 119.950 -0.184 0.000 2.410 134 F HA 0.152 4.680 4.527 0.001 0.000 0.349 134 F C 1.465 177.135 175.800 -0.218 0.000 1.117 134 F CA -0.365 57.443 58.000 -0.319 0.000 1.104 134 F CB 1.320 40.047 39.000 -0.455 0.000 1.122 134 F HN 0.521 nan 8.300 nan 0.000 0.483 135 D N 2.906 123.306 120.400 -0.000 0.000 2.325 135 D HA 0.042 4.682 4.640 0.001 0.000 0.225 135 D C -0.425 176.030 176.300 0.259 0.000 1.096 135 D CA 0.316 54.383 54.000 0.111 0.000 0.844 135 D CB -0.148 40.724 40.800 0.120 0.000 0.925 135 D HN 0.269 nan 8.370 nan 0.000 0.513 136 F N -1.088 118.972 119.950 0.184 0.000 2.635 136 F HA 0.453 4.981 4.527 0.001 0.000 0.314 136 F C -0.692 175.150 175.800 0.070 0.000 1.119 136 F CA -1.797 56.272 58.000 0.115 0.000 1.000 136 F CB 0.932 39.995 39.000 0.106 0.000 1.278 136 F HN -0.337 nan 8.300 nan 0.000 0.446 137 E N 5.620 125.906 120.200 0.143 0.000 2.606 137 E HA 0.167 4.518 4.350 0.001 0.000 0.248 137 E C -2.358 174.153 176.600 -0.147 0.000 1.005 137 E CA -1.195 55.174 56.400 -0.052 0.000 0.946 137 E CB 0.394 30.096 29.700 0.002 0.000 0.928 137 E HN 0.450 nan 8.360 nan 0.000 0.494 138 P HA 0.053 nan 4.420 nan 0.000 0.275 138 P C -1.039 176.045 177.300 -0.361 0.000 1.227 138 P CA -0.087 62.514 63.100 -0.831 0.000 0.781 138 P CB 0.843 31.439 31.700 -1.841 0.000 0.906 139 K N 3.422 123.704 120.400 -0.195 0.000 2.098 139 K HA 0.470 4.791 4.320 0.001 0.000 0.258 139 K C -2.327 174.097 176.600 -0.293 0.000 0.973 139 K CA -2.119 54.052 56.287 -0.193 0.000 0.898 139 K CB 0.036 32.475 32.500 -0.101 0.000 1.057 139 K HN 0.314 nan 8.250 nan 0.000 0.447 140 P HA -0.035 nan 4.420 nan 0.000 0.269 140 P C -0.087 176.790 177.300 -0.705 0.000 1.215 140 P CA 0.038 62.604 63.100 -0.890 0.000 0.780 140 P CB 0.322 30.944 31.700 -1.798 0.000 0.898 141 H N 0.849 119.590 119.070 -0.548 0.000 2.456 141 H HA -0.170 4.386 4.556 0.001 0.000 0.296 141 H C 1.447 176.772 175.328 -0.005 0.000 1.079 141 H CA 1.236 57.192 56.048 -0.153 0.000 1.322 141 H CB -1.031 28.753 29.762 0.037 0.000 1.388 141 H HN 0.569 nan 8.280 nan 0.000 0.538 142 W N 1.315 122.410 121.300 -0.342 0.000 2.436 142 W HA 0.171 4.831 4.660 0.001 0.000 0.284 142 W C 1.599 178.137 176.519 0.032 0.000 1.225 142 W CA 0.538 57.819 57.345 -0.105 0.000 1.271 142 W CB -0.137 28.974 29.460 -0.581 0.000 1.114 142 W HN 0.160 nan 8.180 nan 0.000 0.559 143 E N 1.038 121.131 120.200 -0.177 0.000 2.051 143 E HA -0.160 4.191 4.350 0.001 0.000 0.189 143 E C 2.207 178.831 176.600 0.040 0.000 0.979 143 E CA 1.392 57.796 56.400 0.007 0.000 0.803 143 E CB -0.437 29.201 29.700 -0.103 0.000 0.761 143 E HN 0.377 nan 8.360 nan 0.000 0.451 144 I N 0.511 121.072 120.570 -0.014 0.000 2.423 144 I HA -0.157 4.014 4.170 0.001 0.000 0.254 144 I C 1.924 178.102 176.117 0.102 0.000 1.151 144 I CA 1.425 62.752 61.300 0.044 0.000 1.421 144 I CB -0.022 38.004 38.000 0.042 0.000 1.079 144 I HN 0.074 nan 8.210 nan 0.000 0.431 145 G N -0.331 108.562 108.800 0.155 0.000 2.492 145 G HA2 -0.114 3.847 3.960 0.001 0.000 0.214 145 G HA3 -0.114 3.847 3.960 0.001 0.000 0.214 145 G C 1.492 176.501 174.900 0.180 0.000 1.147 145 G CA 0.193 45.401 45.100 0.181 0.000 0.809 145 G HN 0.421 nan 8.290 nan 0.000 0.533 146 E N -0.118 120.223 120.200 0.236 0.000 2.072 146 E HA -0.025 4.326 4.350 0.001 0.000 0.190 146 E C 2.537 179.221 176.600 0.141 0.000 0.982 146 E CA 0.057 56.588 56.400 0.218 0.000 0.803 146 E CB -0.010 29.859 29.700 0.282 0.000 0.755 146 E HN 0.112 nan 8.360 nan 0.000 0.453 147 R N 0.945 121.517 120.500 0.120 0.000 2.189 147 R HA -0.075 4.266 4.340 0.001 0.000 0.223 147 R C 1.763 178.111 176.300 0.079 0.000 1.092 147 R CA 0.803 56.954 56.100 0.085 0.000 0.989 147 R CB -0.134 30.204 30.300 0.064 0.000 0.876 147 R HN 0.247 nan 8.270 nan 0.000 0.457 148 L N -0.713 120.565 121.223 0.092 0.000 2.567 148 L HA 0.193 4.533 4.340 0.001 0.000 0.225 148 L C 1.000 177.934 176.870 0.107 0.000 1.119 148 L CA 0.538 55.434 54.840 0.094 0.000 0.871 148 L CB 0.094 42.212 42.059 0.098 0.000 1.036 148 L HN 0.395 nan 8.230 nan 0.000 0.459 149 G N 1.665 110.525 108.800 0.100 0.000 2.221 149 G HA2 -0.289 3.672 3.960 0.001 0.000 0.265 149 G HA3 -0.289 3.672 3.960 0.001 0.000 0.265 149 G C 0.698 175.645 174.900 0.079 0.000 1.041 149 G CA 0.663 45.815 45.100 0.087 0.000 0.807 149 G HN 0.594 nan 8.290 nan 0.000 0.502 150 I N -3.718 116.902 120.570 0.084 0.000 4.082 150 I HA 0.614 4.785 4.170 0.001 0.000 0.337 150 I C -0.009 176.116 176.117 0.014 0.000 1.352 150 I CA -0.253 61.089 61.300 0.070 0.000 1.097 150 I CB 0.483 38.553 38.000 0.116 0.000 1.048 150 I HN 0.015 nan 8.210 nan 0.000 0.393 151 L N 2.239 123.448 121.223 -0.024 0.000 2.427 151 L HA 0.490 4.831 4.340 0.001 0.000 0.264 151 L C -1.049 175.641 176.870 -0.299 0.000 0.989 151 L CA 0.077 54.778 54.840 -0.231 0.000 0.865 151 L CB 1.312 43.258 42.059 -0.189 0.000 1.209 151 L HN 0.004 nan 8.230 nan 0.000 0.430 152 D N 2.817 123.044 120.400 -0.288 0.000 2.505 152 D HA 0.183 4.823 4.640 0.001 0.000 0.242 152 D C 0.924 177.137 176.300 -0.144 0.000 1.136 152 D CA -0.173 53.752 54.000 -0.126 0.000 0.954 152 D CB 0.362 41.141 40.800 -0.035 0.000 1.002 152 D HN 0.263 nan 8.370 nan 0.000 0.512 153 F N 1.656 121.651 119.950 0.074 0.000 2.146 153 F HA -0.047 4.481 4.527 0.001 0.000 0.298 153 F C 2.426 178.260 175.800 0.057 0.000 1.096 153 F CA 0.738 58.776 58.000 0.064 0.000 1.275 153 F CB -0.114 38.905 39.000 0.032 0.000 1.008 153 F HN 0.205 nan 8.300 nan 0.000 0.480 154 K N 0.498 121.037 120.400 0.232 0.000 2.001 154 K HA -0.172 4.148 4.320 0.001 0.000 0.214 154 K C 2.228 178.888 176.600 0.099 0.000 1.050 154 K CA 1.653 58.023 56.287 0.139 0.000 0.934 154 K CB -0.131 32.435 32.500 0.109 0.000 0.718 154 K HN 0.060 nan 8.250 nan 0.000 0.443 155 R N -0.735 119.811 120.500 0.075 0.000 2.120 155 R HA -0.074 4.267 4.340 0.001 0.000 0.234 155 R C 2.403 178.736 176.300 0.055 0.000 1.123 155 R CA 1.190 57.320 56.100 0.050 0.000 0.975 155 R CB -0.454 29.865 30.300 0.032 0.000 0.866 155 R HN 0.383 nan 8.270 nan 0.000 0.446 156 G N 1.046 109.892 108.800 0.077 0.000 2.440 156 G HA2 -0.287 3.674 3.960 0.001 0.000 0.218 156 G HA3 -0.287 3.674 3.960 0.001 0.000 0.218 156 G C 1.543 176.521 174.900 0.131 0.000 1.154 156 G CA 0.875 46.045 45.100 0.117 0.000 0.767 156 G HN 0.414 nan 8.290 nan 0.000 0.552 157 A N 0.377 123.282 122.820 0.141 0.000 1.968 157 A HA 0.093 4.413 4.320 0.001 0.000 0.217 157 A C 2.183 179.805 177.584 0.064 0.000 1.169 157 A CA 1.942 54.055 52.037 0.127 0.000 0.638 157 A CB -0.344 18.733 19.000 0.130 0.000 0.812 157 A HN 0.398 nan 8.150 nan 0.000 0.446 158 K N -0.928 119.501 120.400 0.049 0.000 2.147 158 K HA -0.102 4.218 4.320 0.001 0.000 0.205 158 K C 1.296 177.893 176.600 -0.005 0.000 1.049 158 K CA 1.231 57.531 56.287 0.023 0.000 0.936 158 K CB -0.130 32.384 32.500 0.023 0.000 0.722 158 K HN 0.346 nan 8.250 nan 0.000 0.446 159 L N -0.661 120.550 121.223 -0.020 0.000 2.357 159 L HA 0.091 4.432 4.340 0.001 0.000 0.211 159 L C 1.513 178.294 176.870 -0.148 0.000 1.075 159 L CA 1.136 55.935 54.840 -0.068 0.000 0.830 159 L CB 0.469 42.489 42.059 -0.065 0.000 0.996 159 L HN -0.047 nan 8.230 nan 0.000 0.467 160 S N -1.632 113.960 115.700 -0.180 0.000 2.687 160 S HA 0.617 5.088 4.470 0.001 0.000 0.247 160 S C 0.671 175.188 174.600 -0.139 0.000 1.050 160 S CA 0.199 58.166 58.200 -0.389 0.000 1.063 160 S CB 1.309 63.848 63.200 -1.102 0.000 1.039 160 S HN 0.483 nan 8.310 nan 0.000 0.580 161 G N 1.798 110.624 108.800 0.043 0.000 2.582 161 G HA2 -0.092 3.868 3.960 0.001 0.000 0.222 161 G HA3 -0.092 3.868 3.960 0.001 0.000 0.222 161 G C -0.207 174.864 174.900 0.285 0.000 1.311 161 G CA -0.347 44.843 45.100 0.150 0.000 0.915 161 G HN 0.374 nan 8.290 nan 0.000 0.528 162 S N -0.536 115.336 115.700 0.286 0.000 2.617 162 S HA 0.511 4.982 4.470 0.001 0.000 0.259 162 S C 1.428 176.251 174.600 0.373 0.000 1.301 162 S CA 1.008 59.369 58.200 0.269 0.000 0.984 162 S CB 0.090 63.393 63.200 0.172 0.000 0.954 162 S HN 1.378 nan 8.310 nan 0.000 0.572 163 R N -0.495 120.109 120.500 0.174 0.000 3.641 163 R HA -0.175 4.165 4.340 0.001 0.000 0.286 163 R C -1.421 174.830 176.300 -0.081 0.000 1.153 163 R CA 0.740 56.827 56.100 -0.022 0.000 0.775 163 R CB -2.132 27.938 30.300 -0.385 0.000 1.215 163 R HN 0.439 nan 8.270 nan 0.000 0.474 164 F N -1.116 118.937 119.950 0.172 0.000 2.561 164 F HA 0.379 4.907 4.527 0.001 0.000 0.313 164 F C 0.230 176.097 175.800 0.112 0.000 1.126 164 F CA -0.407 57.686 58.000 0.155 0.000 0.918 164 F CB 2.401 41.493 39.000 0.154 0.000 1.199 164 F HN -0.252 nan 8.300 nan 0.000 0.444 165 T N 3.010 117.688 114.554 0.208 0.000 2.928 165 T HA 0.375 4.726 4.350 0.001 0.000 0.296 165 T C -1.272 173.431 174.700 0.005 0.000 1.000 165 T CA -0.567 61.547 62.100 0.024 0.000 0.989 165 T CB 1.879 70.661 68.868 -0.144 0.000 1.005 165 T HN 0.417 nan 8.240 nan 0.000 0.442 166 V N 5.701 125.596 119.914 -0.032 0.000 2.498 166 V HA 0.553 4.673 4.120 0.001 0.000 0.279 166 V C -0.361 175.697 176.094 -0.061 0.000 1.048 166 V CA -0.509 61.785 62.300 -0.011 0.000 0.967 166 V CB 0.064 31.888 31.823 0.002 0.000 0.988 166 V HN 0.775 nan 8.190 nan 0.000 0.473 167 I N 6.883 127.439 120.570 -0.024 0.000 2.385 167 I HA 0.744 4.915 4.170 0.001 0.000 0.294 167 I C 0.329 176.442 176.117 -0.006 0.000 0.988 167 I CA -0.198 61.089 61.300 -0.022 0.000 1.265 167 I CB 1.537 39.541 38.000 0.008 0.000 1.388 167 I HN 0.785 nan 8.210 nan 0.000 0.480 168 A N 3.903 126.724 122.820 0.002 0.000 2.556 168 A HA 0.853 5.173 4.320 0.001 0.000 0.294 168 A C 0.220 177.811 177.584 0.011 0.000 1.091 168 A CA 0.041 52.078 52.037 0.001 0.000 0.704 168 A CB 1.225 20.224 19.000 -0.002 0.000 1.300 168 A HN 1.059 nan 8.150 nan 0.000 0.406 169 G N 0.266 109.041 108.800 -0.041 0.000 2.591 169 G HA2 -0.377 3.584 3.960 0.001 0.000 0.298 169 G HA3 -0.377 3.584 3.960 0.001 0.000 0.298 169 G C 0.798 175.632 174.900 -0.110 0.000 1.195 169 G CA 1.157 46.187 45.100 -0.118 0.000 0.989 169 G HN 1.257 nan 8.290 nan 0.000 0.551 170 W N 1.488 122.795 121.300 0.011 0.000 2.392 170 W HA 0.176 4.836 4.660 0.001 0.000 0.279 170 W C 2.810 179.335 176.519 0.010 0.000 1.225 170 W CA 1.360 58.712 57.345 0.011 0.000 1.233 170 W CB -0.576 28.892 29.460 0.014 0.000 1.122 170 W HN 0.748 nan 8.180 nan 0.000 0.561 171 G N 0.425 109.354 108.800 0.215 0.000 2.459 171 G HA2 -0.248 3.712 3.960 0.001 0.000 0.217 171 G HA3 -0.248 3.712 3.960 0.001 0.000 0.217 171 G C 1.661 176.611 174.900 0.083 0.000 1.183 171 G CA 1.644 46.824 45.100 0.133 0.000 0.776 171 G HN 0.314 nan 8.290 nan 0.000 0.552 172 A N 0.332 123.178 122.820 0.044 0.000 1.873 172 A HA 0.067 4.388 4.320 0.001 0.000 0.215 172 A C 2.348 179.937 177.584 0.009 0.000 1.186 172 A CA 1.669 53.714 52.037 0.013 0.000 0.616 172 A CB -0.503 18.488 19.000 -0.015 0.000 0.823 172 A HN 0.307 nan 8.150 nan 0.000 0.442 173 R N -0.685 119.815 120.500 0.001 0.000 2.117 173 R HA -0.139 4.202 4.340 0.001 0.000 0.243 173 R C 2.104 178.443 176.300 0.065 0.000 1.143 173 R CA 1.606 57.711 56.100 0.010 0.000 0.968 173 R CB -0.391 29.893 30.300 -0.026 0.000 0.863 173 R HN 0.595 nan 8.270 nan 0.000 0.444 174 L N 0.541 121.826 121.223 0.104 0.000 2.056 174 L HA -0.160 4.181 4.340 0.001 0.000 0.207 174 L C 2.300 179.187 176.870 0.028 0.000 1.078 174 L CA 1.437 56.326 54.840 0.082 0.000 0.749 174 L CB -0.314 41.800 42.059 0.093 0.000 0.901 174 L HN 0.289 nan 8.230 nan 0.000 0.433 175 E N 0.092 120.306 120.200 0.023 0.000 2.058 175 E HA -0.307 4.044 4.350 0.001 0.000 0.194 175 E C 2.184 178.758 176.600 -0.045 0.000 0.997 175 E CA 1.457 57.857 56.400 -0.000 0.000 0.801 175 E CB -0.091 29.614 29.700 0.008 0.000 0.746 175 E HN 0.419 nan 8.360 nan 0.000 0.450 176 R N 0.407 120.875 120.500 -0.053 0.000 2.073 176 R HA -0.148 4.192 4.340 0.001 0.000 0.234 176 R C 2.309 178.557 176.300 -0.086 0.000 1.134 176 R CA 1.564 57.607 56.100 -0.096 0.000 0.952 176 R CB -0.301 29.959 30.300 -0.066 0.000 0.850 176 R HN 0.117 nan 8.270 nan 0.000 0.433 177 A N 1.363 124.163 122.820 -0.034 0.000 1.869 177 A HA -0.227 4.093 4.320 0.001 0.000 0.218 177 A C 2.226 179.711 177.584 -0.166 0.000 1.203 177 A CA 1.861 53.869 52.037 -0.048 0.000 0.638 177 A CB -0.907 18.112 19.000 0.030 0.000 0.831 177 A HN 0.394 nan 8.150 nan 0.000 0.450 178 L N -0.688 120.480 121.223 -0.092 0.000 1.978 178 L HA -0.283 4.057 4.340 0.001 0.000 0.218 178 L C 2.593 179.417 176.870 -0.077 0.000 1.075 178 L CA 2.012 56.824 54.840 -0.047 0.000 0.767 178 L CB -0.672 41.379 42.059 -0.014 0.000 0.890 178 L HN 0.447 nan 8.230 nan 0.000 0.434 179 I N -0.249 120.253 120.570 -0.113 0.000 2.145 179 I HA -0.371 3.800 4.170 0.001 0.000 0.244 179 I C 2.072 178.083 176.117 -0.178 0.000 1.075 179 I CA 2.015 63.224 61.300 -0.152 0.000 1.332 179 I CB -0.553 37.267 38.000 -0.299 0.000 1.033 179 I HN 0.375 nan 8.210 nan 0.000 0.410 180 N N -0.082 118.497 118.700 -0.202 0.000 2.106 180 N HA -0.116 4.624 4.740 0.001 0.000 0.188 180 N C 0.891 176.193 175.510 -0.347 0.000 1.029 180 N CA 0.403 53.338 53.050 -0.193 0.000 0.848 180 N CB -0.178 38.257 38.487 -0.087 0.000 1.007 180 N HN 0.131 nan 8.380 nan 0.000 0.423 184 D N 1.243 121.529 120.400 -0.190 0.000 2.117 184 D HA -0.147 4.493 4.640 0.001 0.000 0.197 184 D C 2.036 178.235 176.300 -0.167 0.000 0.987 184 D CA 1.272 55.213 54.000 -0.098 0.000 0.829 184 D CB 0.095 40.907 40.800 0.020 0.000 0.961 184 D HN 0.137 nan 8.370 nan 0.000 0.460 185 L N 1.215 122.199 121.223 -0.398 0.000 1.990 185 L HA -0.213 4.127 4.340 0.001 0.000 0.213 185 L C 2.066 178.792 176.870 -0.240 0.000 1.072 185 L CA 1.987 56.574 54.840 -0.422 0.000 0.755 185 L CB -0.741 40.825 42.059 -0.822 0.000 0.889 185 L HN 0.177 nan 8.230 nan 0.000 0.432 186 H N -0.494 118.481 119.070 -0.159 0.000 2.428 186 H HA -0.046 4.511 4.556 0.001 0.000 0.296 186 H C 2.251 177.647 175.328 0.113 0.000 1.062 186 H CA 1.812 57.817 56.048 -0.072 0.000 1.350 186 H CB -0.748 28.831 29.762 -0.305 0.000 1.403 186 H HN 0.495 nan 8.280 nan 0.000 0.533 187 T N -0.639 114.006 114.554 0.151 0.000 2.777 187 T HA -0.125 4.225 4.350 0.001 0.000 0.266 187 T C 2.006 176.781 174.700 0.125 0.000 1.040 187 T CA 1.281 63.475 62.100 0.157 0.000 1.141 187 T CB 0.028 68.953 68.868 0.095 0.000 0.868 187 T HN 0.224 nan 8.240 nan 0.000 0.444 188 K N 1.341 121.786 120.400 0.076 0.000 2.152 188 K HA -0.079 4.241 4.320 0.001 0.000 0.206 188 K C 2.161 178.807 176.600 0.076 0.000 1.048 188 K CA 1.104 57.427 56.287 0.060 0.000 0.933 188 K CB -0.056 32.463 32.500 0.031 0.000 0.721 188 K HN 0.324 nan 8.250 nan 0.000 0.447 189 K N -1.418 119.051 120.400 0.116 0.000 2.459 189 K HA 0.030 4.351 4.320 0.001 0.000 0.193 189 K C 0.864 177.519 176.600 0.091 0.000 1.030 189 K CA 0.775 57.129 56.287 0.112 0.000 1.026 189 K CB 0.670 33.264 32.500 0.158 0.000 0.809 189 K HN 0.465 nan 8.250 nan 0.000 0.504 190 G N 0.307 109.183 108.800 0.125 0.000 2.273 190 G HA2 -0.190 3.770 3.960 0.001 0.000 0.162 190 G HA3 -0.190 3.770 3.960 0.001 0.000 0.162 190 G C -0.409 174.550 174.900 0.098 0.000 1.006 190 G CA -0.676 44.476 45.100 0.086 0.000 0.704 190 G HN 0.140 nan 8.290 nan 0.000 0.487 191 Y N 1.105 121.488 120.300 0.137 0.000 2.309 191 Y HA 0.516 5.067 4.550 0.001 0.000 0.327 191 Y C 0.931 176.898 175.900 0.112 0.000 1.172 191 Y CA -0.026 58.160 58.100 0.145 0.000 1.280 191 Y CB 0.999 39.506 38.460 0.077 0.000 1.234 191 Y HN 0.061 nan 8.280 nan 0.000 0.512 192 K N 3.449 124.004 120.400 0.258 0.000 2.285 192 K HA 0.092 4.413 4.320 0.001 0.000 0.286 192 K C -0.262 176.431 176.600 0.156 0.000 1.072 192 K CA -0.338 56.050 56.287 0.169 0.000 0.913 192 K CB 0.409 32.988 32.500 0.132 0.000 1.067 192 K HN 0.710 nan 8.250 nan 0.000 0.479 193 E N 4.136 124.412 120.200 0.127 0.000 2.398 193 E HA 0.141 4.492 4.350 0.001 0.000 0.263 193 E C -0.886 175.768 176.600 0.091 0.000 1.046 193 E CA -0.048 56.415 56.400 0.105 0.000 0.908 193 E CB 0.605 30.357 29.700 0.088 0.000 0.963 193 E HN 0.593 nan 8.360 nan 0.000 0.431 194 I N 3.290 123.909 120.570 0.082 0.000 2.743 194 I HA 0.219 4.390 4.170 0.001 0.000 0.292 194 I C -1.690 174.466 176.117 0.064 0.000 1.343 194 I CA -0.668 60.672 61.300 0.067 0.000 1.038 194 I CB 1.307 39.344 38.000 0.061 0.000 1.311 194 I HN 0.572 nan 8.210 nan 0.000 0.426 195 C N 8.123 127.458 119.300 0.058 0.000 2.239 195 C HA 0.641 5.102 4.460 0.001 0.000 0.323 195 C C -2.031 172.979 174.990 0.032 0.000 1.205 195 C CA -0.758 58.299 59.018 0.065 0.000 1.584 195 C CB -0.081 27.697 27.740 0.063 0.000 2.201 195 C HN 0.521 nan 8.230 nan 0.000 0.475 196 P HA 0.590 nan 4.420 nan 0.000 0.287 196 P C -2.930 174.369 177.300 -0.002 0.000 1.290 196 P CA -1.799 61.315 63.100 0.023 0.000 0.889 196 P CB 0.364 32.086 31.700 0.036 0.000 1.190 197 P HA 0.173 nan 4.420 nan 0.000 0.270 197 P C 0.282 177.628 177.300 0.076 0.000 1.223 197 P CA 0.152 63.202 63.100 -0.083 0.000 0.785 197 P CB 0.293 31.974 31.700 -0.032 0.000 0.923 198 H N -0.656 118.424 119.070 0.016 0.000 2.729 198 H HA 0.198 4.755 4.556 0.001 0.000 0.263 198 H C -0.121 175.231 175.328 0.041 0.000 0.961 198 H CA -0.334 55.742 56.048 0.047 0.000 1.217 198 H CB 0.359 30.179 29.762 0.096 0.000 1.447 198 H HN 0.120 nan 8.280 nan 0.000 0.496 199 L N 1.530 122.821 121.223 0.113 0.000 2.309 199 L HA 0.388 4.728 4.340 0.001 0.000 0.282 199 L C -0.443 176.467 176.870 0.067 0.000 1.036 199 L CA -0.353 54.526 54.840 0.066 0.000 0.806 199 L CB 2.077 44.143 42.059 0.011 0.000 1.220 199 L HN -0.087 nan 8.230 nan 0.000 0.429 200 V N 3.096 123.067 119.914 0.094 0.000 3.049 200 V HA 0.457 4.577 4.120 0.001 0.000 0.309 200 V C -0.312 175.852 176.094 0.117 0.000 1.148 200 V CA -0.997 61.355 62.300 0.087 0.000 0.990 200 V CB 2.592 34.465 31.823 0.082 0.000 1.039 200 V HN 0.714 nan 8.190 nan 0.000 0.430 201 K N 4.396 124.847 120.400 0.085 0.000 2.230 201 K HA 0.227 4.547 4.320 0.001 0.000 0.253 201 K C -1.845 174.831 176.600 0.127 0.000 1.008 201 K CA -1.005 55.342 56.287 0.099 0.000 0.910 201 K CB 0.738 33.273 32.500 0.059 0.000 0.994 201 K HN 0.420 nan 8.250 nan 0.000 0.495 202 P HA -0.168 nan 4.420 nan 0.000 0.215 202 P C 0.382 177.695 177.300 0.021 0.000 1.157 202 P CA 1.345 64.511 63.100 0.110 0.000 0.868 202 P CB 0.250 32.048 31.700 0.163 0.000 0.788 203 E N -0.490 119.729 120.200 0.032 0.000 2.108 203 E HA -0.217 4.134 4.350 0.001 0.000 0.203 203 E C 1.946 178.547 176.600 0.003 0.000 1.022 203 E CA 1.283 57.692 56.400 0.014 0.000 0.823 203 E CB -1.055 28.658 29.700 0.022 0.000 0.744 203 E HN 0.188 nan 8.360 nan 0.000 0.456 204 I N 0.275 120.852 120.570 0.010 0.000 2.118 204 I HA -0.260 3.911 4.170 0.001 0.000 0.241 204 I C 2.120 178.230 176.117 -0.011 0.000 1.070 204 I CA 1.293 62.596 61.300 0.005 0.000 1.327 204 I CB -1.223 36.786 38.000 0.016 0.000 1.034 204 I HN 0.168 nan 8.210 nan 0.000 0.405 205 L N 0.362 121.562 121.223 -0.039 0.000 2.093 205 L HA -0.103 4.237 4.340 0.001 0.000 0.208 205 L C 2.611 179.439 176.870 -0.070 0.000 1.085 205 L CA 1.559 56.351 54.840 -0.081 0.000 0.755 205 L CB -1.058 40.883 42.059 -0.196 0.000 0.904 205 L HN 0.224 nan 8.230 nan 0.000 0.435 206 I N -0.575 119.955 120.570 -0.068 0.000 2.286 206 I HA -0.209 3.961 4.170 0.001 0.000 0.248 206 I C 2.505 178.614 176.117 -0.015 0.000 1.115 206 I CA 1.159 62.427 61.300 -0.054 0.000 1.392 206 I CB -0.638 37.336 38.000 -0.044 0.000 1.065 206 I HN 0.286 nan 8.210 nan 0.000 0.418 207 G N 0.717 109.513 108.800 -0.007 0.000 2.440 207 G HA2 -0.276 3.685 3.960 0.001 0.000 0.218 207 G HA3 -0.276 3.685 3.960 0.001 0.000 0.218 207 G C 1.660 176.582 174.900 0.036 0.000 1.154 207 G CA 1.558 46.662 45.100 0.007 0.000 0.767 207 G HN 0.461 nan 8.290 nan 0.000 0.552 208 T N -2.751 111.832 114.554 0.048 0.000 3.067 208 T HA 0.412 4.763 4.350 0.001 0.000 0.257 208 T C 1.837 176.635 174.700 0.164 0.000 1.105 208 T CA 1.068 63.218 62.100 0.084 0.000 1.104 208 T CB 0.383 69.278 68.868 0.045 0.000 0.925 208 T HN 1.251 nan 8.240 nan 0.000 0.498 209 G N 1.181 110.093 108.800 0.185 0.000 2.481 209 G HA2 -0.276 3.685 3.960 0.001 0.000 0.200 209 G HA3 -0.276 3.685 3.960 0.001 0.000 0.200 209 G C 1.121 176.114 174.900 0.155 0.000 1.012 209 G CA 0.209 45.527 45.100 0.363 0.000 0.676 209 G HN 0.411 nan 8.290 nan 0.000 0.488 210 Q N -0.012 119.816 119.800 0.047 0.000 2.133 210 Q HA 0.003 4.344 4.340 0.001 0.000 0.208 210 Q C 1.041 177.000 176.000 -0.069 0.000 0.991 210 Q CA 1.096 56.898 55.803 -0.003 0.000 0.867 210 Q CB -0.250 28.447 28.738 -0.069 0.000 0.911 210 Q HN 0.503 nan 8.270 nan 0.000 0.417 211 L N 2.131 123.256 121.223 -0.163 0.000 2.334 211 L HA 0.241 4.581 4.340 0.001 0.000 0.275 211 L C -1.668 174.997 176.870 -0.343 0.000 1.036 211 L CA -2.126 52.551 54.840 -0.272 0.000 0.807 211 L CB 1.514 43.423 42.059 -0.251 0.000 1.231 211 L HN -0.075 nan 8.230 nan 0.000 0.438 212 P HA -0.014 nan 4.420 nan 0.000 0.245 212 P C 1.069 177.833 177.300 -0.894 0.000 1.199 212 P CA 0.397 63.153 63.100 -0.575 0.000 0.807 212 P CB 0.526 31.988 31.700 -0.398 0.000 1.002 213 K N 0.380 119.884 120.400 -1.494 0.000 2.063 213 K HA -0.090 4.231 4.320 0.001 0.000 0.208 213 K C 0.424 176.328 176.600 -1.159 0.000 1.048 213 K CA 1.392 56.666 56.287 -1.688 0.000 0.928 213 K CB -0.379 30.903 32.500 -2.029 0.000 0.713 213 K HN 0.075 nan 8.250 nan 0.000 0.442 214 F N 0.926 120.615 119.950 -0.435 0.000 2.975 214 F HA 0.244 4.771 4.527 0.001 0.000 0.311 214 F C 1.305 176.991 175.800 -0.190 0.000 1.239 214 F CA -0.502 57.349 58.000 -0.249 0.000 1.282 214 F CB 0.441 39.302 39.000 -0.232 0.000 1.071 214 F HN 0.035 nan 8.300 nan 0.000 0.516 215 E N 1.270 121.416 120.200 -0.089 0.000 2.106 215 E HA -0.215 4.136 4.350 0.001 0.000 0.192 215 E C 1.713 178.335 176.600 0.036 0.000 0.984 215 E CA 0.999 57.374 56.400 -0.042 0.000 0.806 215 E CB 0.192 29.884 29.700 -0.014 0.000 0.750 215 E HN 0.633 nan 8.360 nan 0.000 0.458 216 E N 0.099 120.318 120.200 0.033 0.000 2.472 216 E HA -0.145 4.205 4.350 0.001 0.000 0.200 216 E C 1.072 177.677 176.600 0.008 0.000 1.046 216 E CA 0.580 57.001 56.400 0.035 0.000 0.871 216 E CB 0.167 29.889 29.700 0.037 0.000 0.806 216 E HN 0.096 nan 8.360 nan 0.000 0.533 217 D N -0.584 119.826 120.400 0.017 0.000 2.350 217 D HA 0.083 4.724 4.640 0.001 0.000 0.213 217 D C -0.215 176.049 176.300 -0.060 0.000 1.031 217 D CA 0.258 54.249 54.000 -0.015 0.000 0.861 217 D CB 0.462 41.284 40.800 0.037 0.000 0.926 217 D HN 0.153 nan 8.370 nan 0.000 0.520 218 L N 0.296 121.506 121.223 -0.020 0.000 2.334 218 L HA 0.339 4.679 4.340 0.001 0.000 0.276 218 L C -0.431 176.477 176.870 0.064 0.000 1.014 218 L CA -1.069 53.792 54.840 0.035 0.000 0.815 218 L CB 1.432 43.547 42.059 0.093 0.000 1.268 218 L HN -0.165 nan 8.230 nan 0.000 0.428 219 Y N 1.857 122.267 120.300 0.183 0.000 2.442 219 Y HA 0.241 4.792 4.550 0.001 0.000 0.330 219 Y C 0.361 176.312 175.900 0.085 0.000 1.129 219 Y CA 0.142 58.304 58.100 0.102 0.000 1.365 219 Y CB 0.859 39.343 38.460 0.040 0.000 1.233 219 Y HN 0.434 nan 8.280 nan 0.000 0.529 220 K N 2.774 123.236 120.400 0.103 0.000 2.378 220 K HA 0.521 4.841 4.320 0.001 0.000 0.252 220 K C -1.687 174.806 176.600 -0.179 0.000 0.931 220 K CA -0.693 55.449 56.287 -0.241 0.000 0.794 220 K CB 1.135 33.356 32.500 -0.465 0.000 1.181 220 K HN 0.706 nan 8.250 nan 0.000 0.425 221 C N 5.475 124.637 119.300 -0.231 0.000 2.203 221 C HA 0.159 4.620 4.460 0.001 0.000 0.413 221 C C 1.299 176.193 174.990 -0.161 0.000 1.054 221 C CA -0.777 58.153 59.018 -0.147 0.000 1.496 221 C CB -0.915 26.752 27.740 -0.121 0.000 1.573 221 C HN 0.900 nan 8.230 nan 0.000 0.498 222 E N 1.620 121.736 120.200 -0.141 0.000 2.253 222 E HA -0.288 4.062 4.350 0.001 0.000 0.202 222 E C 1.945 178.495 176.600 -0.084 0.000 1.014 222 E CA 1.144 57.474 56.400 -0.116 0.000 0.823 222 E CB -0.137 29.520 29.700 -0.071 0.000 0.736 222 E HN 0.751 nan 8.360 nan 0.000 0.478 223 R N 1.031 121.488 120.500 -0.072 0.000 2.092 223 R HA -0.088 4.252 4.340 0.001 0.000 0.231 223 R C 1.173 177.442 176.300 -0.052 0.000 1.119 223 R CA 1.697 57.766 56.100 -0.053 0.000 0.970 223 R CB 0.210 30.482 30.300 -0.047 0.000 0.864 223 R HN 0.145 nan 8.270 nan 0.000 0.440 224 D N -0.842 119.519 120.400 -0.066 0.000 2.398 224 D HA -0.026 4.615 4.640 0.001 0.000 0.210 224 D C -0.459 175.806 176.300 -0.058 0.000 1.094 224 D CA -0.082 53.885 54.000 -0.054 0.000 0.839 224 D CB 0.136 40.904 40.800 -0.052 0.000 0.963 224 D HN 0.141 nan 8.370 nan 0.000 0.506 225 N N 1.118 119.764 118.700 -0.090 0.000 2.641 225 N HA -0.185 4.556 4.740 0.001 0.000 0.267 225 N C -1.500 173.969 175.510 -0.069 0.000 1.087 225 N CA 0.518 53.510 53.050 -0.096 0.000 0.731 225 N CB -1.304 37.165 38.487 -0.031 0.000 0.886 225 N HN 0.263 nan 8.380 nan 0.000 0.547 226 L N 1.112 122.254 121.223 -0.136 0.000 2.472 226 L HA 0.482 4.823 4.340 0.001 0.000 0.260 226 L C -0.843 175.956 176.870 -0.119 0.000 0.963 226 L CA -0.855 53.963 54.840 -0.037 0.000 0.829 226 L CB 1.559 43.604 42.059 -0.023 0.000 1.348 226 L HN 0.076 nan 8.230 nan 0.000 0.408 227 Y N 1.562 121.873 120.300 0.019 0.000 2.509 227 Y HA 0.562 5.113 4.550 0.001 0.000 0.341 227 Y C -0.031 175.892 175.900 0.039 0.000 1.038 227 Y CA -0.732 57.389 58.100 0.035 0.000 1.089 227 Y CB 1.910 40.393 38.460 0.039 0.000 1.241 227 Y HN 0.282 nan 8.280 nan 0.000 0.468 228 L N 4.082 125.431 121.223 0.211 0.000 2.395 228 L HA 0.344 4.685 4.340 0.001 0.000 0.269 228 L C -0.059 176.947 176.870 0.226 0.000 1.133 228 L CA -0.717 54.203 54.840 0.132 0.000 0.812 228 L CB 0.601 42.644 42.059 -0.027 0.000 1.125 228 L HN 0.541 nan 8.230 nan 0.000 0.452 229 I N 0.926 121.626 120.570 0.217 0.000 2.529 229 I HA 0.225 4.395 4.170 0.001 0.000 0.284 229 I C -1.774 174.433 176.117 0.150 0.000 1.082 229 I CA -1.287 60.105 61.300 0.153 0.000 1.406 229 I CB 0.586 38.640 38.000 0.091 0.000 1.405 229 I HN 0.417 nan 8.210 nan 0.000 0.548 230 P HA 0.063 nan 4.420 nan 0.000 0.245 230 P C 0.289 177.567 177.300 -0.036 0.000 1.203 230 P CA 0.493 63.629 63.100 0.060 0.000 0.792 230 P CB 0.476 32.208 31.700 0.053 0.000 0.997 231 T N -2.278 112.233 114.554 -0.072 0.000 2.893 231 T HA 0.489 4.839 4.350 0.001 0.000 0.337 231 T C 0.414 175.047 174.700 -0.111 0.000 1.587 231 T CA 0.108 62.136 62.100 -0.119 0.000 1.066 231 T CB 0.710 69.550 68.868 -0.048 0.000 1.414 231 T HN -0.188 nan 8.240 nan 0.000 0.488 232 A N 1.695 124.428 122.820 -0.145 0.000 2.125 232 A HA 0.037 4.357 4.320 0.001 0.000 0.219 232 A C 1.895 179.446 177.584 -0.055 0.000 1.156 232 A CA 2.087 54.058 52.037 -0.109 0.000 0.671 232 A CB -0.809 18.113 19.000 -0.130 0.000 0.794 232 A HN 0.940 nan 8.150 nan 0.000 0.459 233 E N 0.339 120.511 120.200 -0.048 0.000 2.070 233 E HA -0.198 4.152 4.350 0.001 0.000 0.197 233 E C 1.749 178.343 176.600 -0.010 0.000 1.004 233 E CA 1.952 58.338 56.400 -0.022 0.000 0.805 233 E CB -0.308 29.381 29.700 -0.019 0.000 0.744 233 E HN 0.345 nan 8.360 nan 0.000 0.451 234 V N 2.197 122.104 119.914 -0.012 0.000 2.214 234 V HA -0.223 3.897 4.120 0.001 0.000 0.247 234 V C -0.440 175.652 176.094 -0.003 0.000 1.051 234 V CA 2.645 64.943 62.300 -0.003 0.000 1.003 234 V CB -1.839 29.985 31.823 0.001 0.000 0.635 234 V HN 0.418 nan 8.190 nan 0.000 0.447 235 P HA -0.166 nan 4.420 nan 0.000 0.215 235 P C 1.910 179.191 177.300 -0.031 0.000 1.157 235 P CA 1.567 64.663 63.100 -0.006 0.000 0.868 235 P CB -0.069 31.640 31.700 0.016 0.000 0.788 236 L N -0.041 121.169 121.223 -0.021 0.000 1.970 236 L HA -0.139 4.201 4.340 0.001 0.000 0.212 236 L C 2.747 179.600 176.870 -0.027 0.000 1.071 236 L CA 2.409 57.235 54.840 -0.023 0.000 0.751 236 L CB -2.012 40.052 42.059 0.008 0.000 0.889 236 L HN 0.002 nan 8.230 nan 0.000 0.432 237 T N -0.924 113.632 114.554 0.004 0.000 2.720 237 T HA -0.182 4.169 4.350 0.001 0.000 0.268 237 T C 1.488 176.193 174.700 0.009 0.000 1.037 237 T CA 1.687 63.805 62.100 0.031 0.000 1.144 237 T CB -0.502 68.392 68.868 0.043 0.000 0.864 237 T HN 0.325 nan 8.240 nan 0.000 0.444 238 N N 0.761 119.449 118.700 -0.020 0.000 2.571 238 N HA 0.114 4.855 4.740 0.001 0.000 0.189 238 N C 1.219 176.663 175.510 -0.111 0.000 1.154 238 N CA -0.136 52.896 53.050 -0.030 0.000 0.907 238 N CB -0.255 38.221 38.487 -0.018 0.000 0.977 238 N HN 0.081 nan 8.380 nan 0.000 0.449 239 L N -0.094 120.985 121.223 -0.239 0.000 2.081 239 L HA -0.165 4.176 4.340 0.001 0.000 0.212 239 L C -0.083 176.372 176.870 -0.692 0.000 1.080 239 L CA 1.592 56.112 54.840 -0.534 0.000 0.754 239 L CB -0.415 41.158 42.059 -0.810 0.000 0.893 239 L HN 0.270 nan 8.230 nan 0.000 0.433 240 Y N -0.133 120.189 120.300 0.037 0.000 2.806 240 Y HA 0.411 4.961 4.550 0.001 0.000 0.364 240 Y C 0.517 176.445 175.900 0.047 0.000 1.101 240 Y CA -0.885 57.238 58.100 0.038 0.000 1.256 240 Y CB -0.329 38.153 38.460 0.037 0.000 1.363 240 Y HN -0.059 nan 8.280 nan 0.000 0.592 241 R N 1.098 121.646 120.500 0.081 0.000 2.531 241 R HA 0.182 4.523 4.340 0.001 0.000 0.273 241 R C 0.216 176.570 176.300 0.090 0.000 1.070 241 R CA -0.631 55.516 56.100 0.078 0.000 1.112 241 R CB 0.513 30.837 30.300 0.039 0.000 1.049 241 R HN 0.447 nan 8.270 nan 0.000 0.508 242 E N 1.021 121.275 120.200 0.090 0.000 2.199 242 E HA -0.265 4.085 4.350 0.001 0.000 0.208 242 E C -0.792 175.856 176.600 0.079 0.000 1.310 242 E CA 1.235 57.682 56.400 0.078 0.000 0.709 242 E CB -1.200 28.534 29.700 0.058 0.000 1.127 242 E HN 0.602 nan 8.360 nan 0.000 0.354 243 E N -0.409 119.851 120.200 0.099 0.000 2.392 243 E HA 0.624 4.975 4.350 0.001 0.000 0.269 243 E C 0.058 176.701 176.600 0.072 0.000 0.924 243 E CA -0.978 55.478 56.400 0.094 0.000 0.784 243 E CB 1.715 31.502 29.700 0.145 0.000 1.292 243 E HN 0.042 nan 8.360 nan 0.000 0.447 244 I N 3.045 123.644 120.570 0.048 0.000 2.420 244 I HA 0.251 4.422 4.170 0.001 0.000 0.282 244 I C -0.515 175.624 176.117 0.037 0.000 1.019 244 I CA -0.387 60.933 61.300 0.034 0.000 1.130 244 I CB 0.744 38.743 38.000 -0.001 0.000 1.262 244 I HN 0.253 nan 8.210 nan 0.000 0.454 245 L N 5.980 127.237 121.223 0.057 0.000 2.439 245 L HA 0.351 4.692 4.340 0.001 0.000 0.261 245 L C 0.497 177.405 176.870 0.062 0.000 1.153 245 L CA -0.693 54.156 54.840 0.016 0.000 0.808 245 L CB 0.544 42.574 42.059 -0.050 0.000 1.126 245 L HN 0.429 nan 8.230 nan 0.000 0.460 246 K N 1.827 122.235 120.400 0.014 0.000 2.276 246 K HA 0.045 4.366 4.320 0.001 0.000 0.285 246 K C 0.696 177.331 176.600 0.058 0.000 1.062 246 K CA -0.199 56.110 56.287 0.036 0.000 0.918 246 K CB 1.228 33.726 32.500 -0.003 0.000 1.055 246 K HN 0.551 nan 8.250 nan 0.000 0.477 247 E N 2.255 122.551 120.200 0.161 0.000 2.333 247 E HA -0.261 4.090 4.350 0.001 0.000 0.200 247 E C 0.779 177.406 176.600 0.046 0.000 1.010 247 E CA 1.453 57.968 56.400 0.193 0.000 0.841 247 E CB 0.355 30.266 29.700 0.351 0.000 0.757 247 E HN 0.475 nan 8.360 nan 0.000 0.508 248 E N 0.144 120.353 120.200 0.015 0.000 2.107 248 E HA -0.085 4.266 4.350 0.001 0.000 0.191 248 E C 1.518 178.079 176.600 -0.065 0.000 0.982 248 E CA 1.037 57.422 56.400 -0.025 0.000 0.809 248 E CB 0.014 29.702 29.700 -0.021 0.000 0.756 248 E HN 0.332 nan 8.360 nan 0.000 0.459 249 N N -0.454 118.200 118.700 -0.077 0.000 2.104 249 N HA -0.121 4.619 4.740 0.001 0.000 0.190 249 N C -0.288 175.120 175.510 -0.170 0.000 1.024 249 N CA 0.001 52.977 53.050 -0.123 0.000 0.853 249 N CB -0.049 38.353 38.487 -0.142 0.000 1.008 249 N HN 0.044 nan 8.380 nan 0.000 0.424 250 L N 1.883 123.006 121.223 -0.166 0.000 2.506 250 L HA 0.069 4.410 4.340 0.001 0.000 0.281 250 L C -1.665 175.074 176.870 -0.219 0.000 1.228 250 L CA -0.968 53.747 54.840 -0.209 0.000 0.850 250 L CB -0.353 41.581 42.059 -0.208 0.000 1.110 250 L HN 0.121 nan 8.230 nan 0.000 0.496 251 P HA 0.316 nan 4.420 nan 0.000 0.281 251 P C -0.947 176.054 177.300 -0.499 0.000 1.264 251 P CA -0.449 62.430 63.100 -0.369 0.000 0.824 251 P CB 1.187 32.658 31.700 -0.381 0.000 1.092 252 I N 1.978 122.341 120.570 -0.345 0.000 2.354 252 I HA 0.241 4.411 4.170 0.001 0.000 0.286 252 I C -0.471 175.592 176.117 -0.091 0.000 1.007 252 I CA -0.796 60.359 61.300 -0.242 0.000 1.167 252 I CB 0.487 38.418 38.000 -0.114 0.000 1.320 252 I HN 0.205 nan 8.210 nan 0.000 0.458 253 Y N 7.119 127.380 120.300 -0.066 0.000 2.331 253 Y HA 0.656 5.206 4.550 0.001 0.000 0.338 253 Y C 0.150 176.102 175.900 0.086 0.000 0.992 253 Y CA -1.423 56.620 58.100 -0.094 0.000 1.121 253 Y CB 1.339 39.489 38.460 -0.516 0.000 1.184 253 Y HN 0.355 nan 8.280 nan 0.000 0.469 254 L N 0.330 121.803 121.223 0.417 0.000 2.434 254 L HA 0.946 5.286 4.340 0.001 0.000 0.260 254 L C -0.783 176.261 176.870 0.290 0.000 0.983 254 L CA -0.732 54.300 54.840 0.320 0.000 0.820 254 L CB 2.487 44.672 42.059 0.210 0.000 1.361 254 L HN 0.496 nan 8.230 nan 0.000 0.410 255 T N 0.625 115.287 114.554 0.181 0.000 2.864 255 T HA 0.970 5.321 4.350 0.001 0.000 0.289 255 T C -1.108 173.620 174.700 0.046 0.000 1.082 255 T CA 0.180 62.300 62.100 0.033 0.000 1.009 255 T CB 2.005 70.852 68.868 -0.035 0.000 1.234 255 T HN 1.392 nan 8.240 nan 0.000 0.526 256 A N 1.225 124.055 122.820 0.016 0.000 2.549 256 A HA 0.567 4.888 4.320 0.001 0.000 0.291 256 A C -2.307 175.297 177.584 0.034 0.000 1.034 256 A CA -0.725 51.336 52.037 0.040 0.000 0.655 256 A CB 0.498 19.511 19.000 0.022 0.000 1.299 256 A HN 1.133 nan 8.150 nan 0.000 0.427 257 Y N 1.051 121.337 120.300 -0.023 0.000 2.393 257 Y HA 0.763 5.314 4.550 0.001 0.000 0.341 257 Y C -0.080 175.779 175.900 -0.068 0.000 0.988 257 Y CA 0.223 58.292 58.100 -0.052 0.000 1.078 257 Y CB 2.078 40.515 38.460 -0.038 0.000 1.203 257 Y HN 1.407 nan 8.280 nan 0.000 0.453 258 T N 4.453 118.198 114.554 -1.349 0.000 2.885 258 T HA 0.515 4.865 4.350 0.001 0.000 0.322 258 T C -3.411 170.602 174.700 -1.145 0.000 1.387 258 T CA -2.000 59.340 62.100 -1.267 0.000 1.041 258 T CB 1.940 70.373 68.868 -0.724 0.000 1.287 258 T HN 0.460 nan 8.240 nan 0.000 0.491 259 P HA 0.432 nan 4.420 nan 0.000 0.275 259 P C -0.627 176.064 177.300 -1.015 0.000 1.227 259 P CA -0.345 62.275 63.100 -0.800 0.000 0.781 259 P CB 0.461 31.816 31.700 -0.576 0.000 0.906 260 C N 3.332 121.958 119.300 -1.123 0.000 2.355 260 C HA 0.517 4.977 4.460 0.001 0.000 0.332 260 C C -0.369 174.165 174.990 -0.760 0.000 1.255 260 C CA -0.252 58.163 59.018 -1.004 0.000 1.792 260 C CB -0.333 26.475 27.740 -1.552 0.000 2.300 260 C HN 0.501 nan 8.230 nan 0.000 0.515 261 Y N 1.818 122.101 120.300 -0.028 0.000 2.326 261 Y HA 0.598 5.149 4.550 0.001 0.000 0.331 261 Y C 0.491 176.576 175.900 0.309 0.000 0.962 261 Y CA -0.556 57.679 58.100 0.225 0.000 1.167 261 Y CB 0.782 39.406 38.460 0.273 0.000 1.148 261 Y HN 0.488 nan 8.280 nan 0.000 0.463 262 R N 2.301 123.082 120.500 0.469 0.000 2.532 262 R HA 0.417 4.757 4.340 0.001 0.000 0.297 262 R C 0.432 176.842 176.300 0.184 0.000 0.984 262 R CA -1.001 55.239 56.100 0.233 0.000 0.884 262 R CB 2.073 32.482 30.300 0.182 0.000 1.182 262 R HN 0.742 nan 8.270 nan 0.000 0.442 263 R N 1.052 121.422 120.500 -0.217 0.000 2.241 263 R HA -0.132 4.208 4.340 0.001 0.000 0.224 263 R C -0.063 176.296 176.300 0.099 0.000 1.101 263 R CA 0.570 56.518 56.100 -0.253 0.000 0.995 263 R CB -0.117 29.936 30.300 -0.412 0.000 0.870 263 R HN 0.610 nan 8.270 nan 0.000 0.463 264 E N -0.511 119.700 120.200 0.019 0.000 2.202 264 E HA -0.260 4.091 4.350 0.001 0.000 0.214 264 E C 0.574 177.105 176.600 -0.116 0.000 1.303 264 E CA 0.530 56.890 56.400 -0.067 0.000 0.714 264 E CB -0.982 28.634 29.700 -0.139 0.000 1.130 264 E HN 0.465 nan 8.360 nan 0.000 0.356 265 A N -0.617 122.134 122.820 -0.115 0.000 2.172 265 A HA 0.092 4.412 4.320 0.001 0.000 0.216 265 A C 2.097 179.386 177.584 -0.491 0.000 1.154 265 A CA 1.473 53.401 52.037 -0.180 0.000 0.701 265 A CB -0.093 18.869 19.000 -0.063 0.000 0.789 265 A HN 0.500 nan 8.150 nan 0.000 0.465 266 G N -0.667 107.883 108.800 -0.417 0.000 2.490 266 G HA2 0.314 4.274 3.960 0.001 0.000 0.211 266 G HA3 0.314 4.274 3.960 0.001 0.000 0.211 266 G C 0.928 175.483 174.900 -0.574 0.000 1.159 266 G CA 0.482 45.291 45.100 -0.485 0.000 0.819 266 G HN 0.794 nan 8.290 nan 0.000 0.539 267 A N 0.833 123.426 122.820 -0.377 0.000 2.901 267 A HA 0.402 4.723 4.320 0.001 0.000 0.289 267 A C -0.976 176.486 177.584 -0.204 0.000 1.779 267 A CA -0.062 51.833 52.037 -0.238 0.000 1.352 267 A CB -0.957 17.933 19.000 -0.185 0.000 1.008 267 A HN 0.277 nan 8.150 nan 0.000 0.596 268 Y N 0.706 120.992 120.300 -0.023 0.000 2.385 268 Y HA 0.471 5.022 4.550 0.001 0.000 0.341 268 Y C 1.456 177.337 175.900 -0.032 0.000 0.965 268 Y CA -0.064 58.024 58.100 -0.020 0.000 1.180 268 Y CB 1.316 39.771 38.460 -0.007 0.000 1.139 268 Y HN 0.905 nan 8.280 nan 0.000 0.502 269 G N 2.677 111.549 108.800 0.119 0.000 2.328 269 G HA2 -0.309 3.651 3.960 0.001 0.000 0.256 269 G HA3 -0.309 3.651 3.960 0.001 0.000 0.256 269 G C 0.360 175.253 174.900 -0.012 0.000 1.014 269 G CA -0.104 45.016 45.100 0.033 0.000 0.620 269 G HN 0.484 nan 8.290 nan 0.000 0.530 270 K N 1.551 121.946 120.400 -0.009 0.000 2.379 270 K HA 0.353 4.674 4.320 0.001 0.000 0.284 270 K C -0.041 176.514 176.600 -0.074 0.000 1.044 270 K CA 0.050 56.313 56.287 -0.039 0.000 0.974 270 K CB 0.389 32.866 32.500 -0.038 0.000 0.962 270 K HN 0.273 nan 8.250 nan 0.000 0.474 271 D N 2.504 122.854 120.400 -0.084 0.000 3.038 271 D HA -0.203 4.438 4.640 0.001 0.000 0.229 271 D C 0.063 176.276 176.300 -0.145 0.000 1.182 271 D CA 0.510 54.446 54.000 -0.107 0.000 0.852 271 D CB -0.405 40.339 40.800 -0.094 0.000 0.932 271 D HN 0.465 nan 8.370 nan 0.000 0.406 272 I N 0.145 120.597 120.570 -0.197 0.000 3.968 272 I HA 0.048 4.218 4.170 0.001 0.000 0.328 272 I C 1.920 177.820 176.117 -0.362 0.000 1.290 272 I CA 0.398 61.569 61.300 -0.216 0.000 1.163 272 I CB 0.236 38.134 38.000 -0.170 0.000 1.024 272 I HN 0.070 nan 8.210 nan 0.000 0.413 273 R N -0.543 119.612 120.500 -0.575 0.000 2.254 273 R HA 0.339 4.679 4.340 0.001 0.000 0.193 273 R C 1.316 176.964 176.300 -1.086 0.000 0.929 273 R CA 0.625 56.072 56.100 -1.087 0.000 1.038 273 R CB 0.428 29.604 30.300 -1.874 0.000 1.009 273 R HN 0.416 nan 8.270 nan 0.000 0.512 274 G N 0.828 109.397 108.800 -0.386 0.000 3.441 274 G HA2 0.244 4.205 3.960 0.001 0.000 0.195 274 G HA3 0.244 4.205 3.960 0.001 0.000 0.195 274 G C 0.688 175.885 174.900 0.495 0.000 1.633 274 G CA -0.233 44.960 45.100 0.155 0.000 0.895 274 G HN 0.198 nan 8.290 nan 0.000 0.654 275 I N -1.842 119.179 120.570 0.751 0.000 3.994 275 I HA 0.466 4.637 4.170 0.001 0.000 0.323 275 I C 0.911 177.104 176.117 0.127 0.000 1.501 275 I CA -0.102 61.421 61.300 0.373 0.000 1.112 275 I CB 0.501 38.709 38.000 0.346 0.000 1.254 275 I HN 0.171 nan 8.210 nan 0.000 0.495 276 I N 1.478 122.094 120.570 0.076 0.000 3.111 276 I HA 0.058 4.228 4.170 0.001 0.000 0.272 276 I C 1.084 177.110 176.117 -0.152 0.000 1.268 276 I CA 0.803 62.054 61.300 -0.082 0.000 1.467 276 I CB 0.087 38.004 38.000 -0.138 0.000 1.087 276 I HN 0.334 nan 8.210 nan 0.000 0.467 277 R N 1.339 121.759 120.500 -0.134 0.000 2.569 277 R HA 0.327 4.667 4.340 0.001 0.000 0.293 277 R C -1.249 174.929 176.300 -0.203 0.000 1.186 277 R CA -0.419 55.557 56.100 -0.207 0.000 0.956 277 R CB 1.032 31.224 30.300 -0.179 0.000 1.196 277 R HN -0.028 nan 8.270 nan 0.000 0.444 278 Q N 1.995 121.655 119.800 -0.233 0.000 2.544 278 Q HA 0.254 4.595 4.340 0.001 0.000 0.291 278 Q C -0.062 175.777 176.000 -0.268 0.000 1.068 278 Q CA -0.958 54.691 55.803 -0.256 0.000 0.785 278 Q CB 1.579 30.233 28.738 -0.139 0.000 1.481 278 Q HN 0.656 nan 8.270 nan 0.000 0.430 279 H N 0.040 118.910 119.070 -0.333 0.000 2.502 279 H HA 0.073 4.629 4.556 0.001 0.000 0.283 279 H C -0.004 175.273 175.328 -0.084 0.000 1.015 279 H CA 0.883 56.816 56.048 -0.192 0.000 1.298 279 H CB 0.944 30.525 29.762 -0.301 0.000 1.411 279 H HN 0.369 nan 8.280 nan 0.000 0.556 280 Q N 0.327 120.038 119.800 -0.149 0.000 2.275 280 Q HA 0.358 4.699 4.340 0.001 0.000 0.266 280 Q C -1.671 174.347 176.000 0.030 0.000 1.002 280 Q CA -0.752 55.001 55.803 -0.083 0.000 0.761 280 Q CB 1.400 30.140 28.738 0.004 0.000 1.255 280 Q HN 0.082 nan 8.270 nan 0.000 0.446 281 F N 0.215 120.037 119.950 -0.214 0.000 2.613 281 F HA 0.596 5.123 4.527 0.001 0.000 0.310 281 F C -1.006 174.715 175.800 -0.131 0.000 1.085 281 F CA -1.226 56.695 58.000 -0.132 0.000 0.945 281 F CB 1.192 40.135 39.000 -0.096 0.000 1.298 281 F HN 0.207 nan 8.300 nan 0.000 0.455 282 D N 2.284 122.696 120.400 0.019 0.000 2.256 282 D HA 0.331 4.971 4.640 0.001 0.000 0.250 282 D C -0.899 175.418 176.300 0.028 0.000 1.093 282 D CA -0.026 53.977 54.000 0.006 0.000 0.882 282 D CB 1.844 42.766 40.800 0.205 0.000 1.185 282 D HN 0.692 nan 8.370 nan 0.000 0.437 283 K N 1.124 121.467 120.400 -0.095 0.000 2.550 283 K HA 0.314 4.634 4.320 0.001 0.000 0.252 283 K C -1.728 174.861 176.600 -0.020 0.000 0.943 283 K CA -0.682 55.595 56.287 -0.016 0.000 0.806 283 K CB 1.879 34.343 32.500 -0.059 0.000 1.289 283 K HN 0.091 nan 8.250 nan 0.000 0.435 284 V N 4.482 124.421 119.914 0.042 0.000 2.320 284 V HA 0.177 4.298 4.120 0.001 0.000 0.265 284 V C 0.206 176.273 176.094 -0.045 0.000 1.048 284 V CA -0.477 61.842 62.300 0.032 0.000 0.865 284 V CB 0.870 32.735 31.823 0.069 0.000 1.043 284 V HN 0.720 nan 8.190 nan 0.000 0.474 285 E N 3.899 124.051 120.200 -0.079 0.000 2.369 285 E HA 0.494 4.845 4.350 0.001 0.000 0.255 285 E C -0.679 175.810 176.600 -0.186 0.000 1.172 285 E CA -0.226 56.108 56.400 -0.110 0.000 0.932 285 E CB 1.450 31.099 29.700 -0.085 0.000 1.040 285 E HN 0.438 nan 8.360 nan 0.000 0.454 286 L N 1.232 122.338 121.223 -0.196 0.000 2.470 286 L HA 0.401 4.741 4.340 0.001 0.000 0.268 286 L C -1.031 175.801 176.870 -0.063 0.000 0.964 286 L CA -0.748 53.929 54.840 -0.272 0.000 0.839 286 L CB 2.048 43.824 42.059 -0.472 0.000 1.276 286 L HN 0.150 nan 8.230 nan 0.000 0.403 287 V N 2.861 122.818 119.914 0.072 0.000 2.789 287 V HA 0.525 4.646 4.120 0.001 0.000 0.311 287 V C -0.634 175.595 176.094 0.224 0.000 1.073 287 V CA -0.841 61.530 62.300 0.118 0.000 0.921 287 V CB 2.766 34.648 31.823 0.098 0.000 1.009 287 V HN 0.629 nan 8.190 nan 0.000 0.426 288 K N 4.406 124.916 120.400 0.183 0.000 2.507 288 K HA 0.603 4.924 4.320 0.001 0.000 0.252 288 K C -1.591 175.101 176.600 0.154 0.000 0.943 288 K CA -0.686 55.741 56.287 0.232 0.000 0.808 288 K CB 2.252 34.882 32.500 0.217 0.000 1.142 288 K HN 0.401 nan 8.250 nan 0.000 0.426 289 I N 4.712 125.359 120.570 0.129 0.000 2.330 289 I HA 0.215 4.385 4.170 0.001 0.000 0.286 289 I C 0.318 176.431 176.117 -0.005 0.000 1.025 289 I CA -0.665 60.679 61.300 0.073 0.000 1.197 289 I CB 0.576 38.626 38.000 0.084 0.000 1.358 289 I HN 0.374 nan 8.210 nan 0.000 0.467 290 V N 3.634 123.548 119.914 -0.001 0.000 3.164 290 V HA 0.559 4.680 4.120 0.001 0.000 0.313 290 V C -0.222 175.776 176.094 -0.160 0.000 1.188 290 V CA -0.806 61.461 62.300 -0.056 0.000 1.058 290 V CB 2.273 34.115 31.823 0.033 0.000 1.110 290 V HN 0.714 nan 8.190 nan 0.000 0.453 291 H N 1.522 120.418 119.070 -0.289 0.000 2.690 291 H HA 0.399 4.955 4.556 0.001 0.000 0.314 291 H C -2.143 173.007 175.328 -0.296 0.000 1.069 291 H CA -1.303 54.495 56.048 -0.416 0.000 1.436 291 H CB 1.857 31.426 29.762 -0.321 0.000 1.462 291 H HN 0.445 nan 8.280 nan 0.000 0.511 292 P HA -0.246 nan 4.420 nan 0.000 0.222 292 P C 0.811 177.988 177.300 -0.205 0.000 1.159 292 P CA 1.913 64.541 63.100 -0.786 0.000 0.920 292 P CB 0.312 31.627 31.700 -0.643 0.000 0.793 293 D N -2.201 118.314 120.400 0.191 0.000 2.351 293 D HA -0.084 4.556 4.640 0.001 0.000 0.216 293 D C 1.515 177.904 176.300 0.149 0.000 0.968 293 D CA 1.584 55.710 54.000 0.211 0.000 0.899 293 D CB -0.680 40.268 40.800 0.247 0.000 0.907 293 D HN 0.368 nan 8.370 nan 0.000 0.514 294 T N -3.453 111.178 114.554 0.129 0.000 3.010 294 T HA 0.057 4.407 4.350 0.001 0.000 0.257 294 T C 1.873 176.625 174.700 0.086 0.000 1.020 294 T CA 0.433 62.585 62.100 0.088 0.000 0.938 294 T CB 0.143 69.041 68.868 0.051 0.000 1.049 294 T HN 0.056 nan 8.240 nan 0.000 0.522 295 S N 2.067 117.816 115.700 0.081 0.000 2.392 295 S HA -0.296 4.174 4.470 0.001 0.000 0.225 295 S C 1.687 176.243 174.600 -0.075 0.000 1.041 295 S CA 1.288 59.508 58.200 0.034 0.000 1.100 295 S CB -1.472 61.836 63.200 0.180 0.000 1.029 295 S HN 0.521 nan 8.310 nan 0.000 0.424 296 Y N 2.359 122.721 120.300 0.104 0.000 2.315 296 Y HA -0.071 4.480 4.550 0.002 0.000 0.288 296 Y C 2.652 178.578 175.900 0.044 0.000 1.154 296 Y CA 1.363 59.495 58.100 0.053 0.000 1.229 296 Y CB -0.613 37.854 38.460 0.011 0.000 0.980 296 Y HN 0.430 nan 8.280 nan 0.000 0.540 297 D N -0.235 120.256 120.400 0.152 0.000 2.137 297 D HA -0.132 4.509 4.640 0.001 0.000 0.202 297 D C 1.842 178.168 176.300 0.044 0.000 0.970 297 D CA 1.074 55.129 54.000 0.091 0.000 0.837 297 D CB 0.013 40.858 40.800 0.075 0.000 0.981 297 D HN 0.150 nan 8.370 nan 0.000 0.475 298 E N 0.432 120.655 120.200 0.037 0.000 2.209 298 E HA -0.147 4.204 4.350 0.001 0.000 0.196 298 E C 2.089 178.679 176.600 -0.017 0.000 0.993 298 E CA 0.192 56.599 56.400 0.011 0.000 0.819 298 E CB -0.260 29.468 29.700 0.046 0.000 0.745 298 E HN 0.375 nan 8.360 nan 0.000 0.477 299 L N 1.390 122.607 121.223 -0.010 0.000 2.005 299 L HA -0.176 4.164 4.340 0.001 0.000 0.207 299 L C 2.016 178.876 176.870 -0.017 0.000 1.072 299 L CA 1.789 56.627 54.840 -0.004 0.000 0.744 299 L CB -0.484 41.586 42.059 0.019 0.000 0.895 299 L HN 0.014 nan 8.230 nan 0.000 0.433 300 E N 0.451 120.645 120.200 -0.011 0.000 2.085 300 E HA -0.244 4.106 4.350 0.001 0.000 0.194 300 E C 2.113 178.659 176.600 -0.091 0.000 0.994 300 E CA 1.182 57.531 56.400 -0.084 0.000 0.801 300 E CB -0.187 29.489 29.700 -0.040 0.000 0.743 300 E HN 0.524 nan 8.360 nan 0.000 0.453 301 K N 0.384 120.748 120.400 -0.061 0.000 2.002 301 K HA -0.149 4.172 4.320 0.001 0.000 0.209 301 K C 2.323 178.871 176.600 -0.088 0.000 1.048 301 K CA 0.889 57.132 56.287 -0.074 0.000 0.930 301 K CB -0.435 32.015 32.500 -0.083 0.000 0.714 301 K HN 0.029 nan 8.250 nan 0.000 0.438 302 L N 1.378 122.549 121.223 -0.085 0.000 2.051 302 L HA -0.222 4.119 4.340 0.001 0.000 0.214 302 L C 2.065 178.870 176.870 -0.108 0.000 1.076 302 L CA 1.531 56.322 54.840 -0.082 0.000 0.758 302 L CB -0.319 41.704 42.059 -0.059 0.000 0.890 302 L HN -0.077 nan 8.230 nan 0.000 0.433 303 V N -0.611 119.233 119.914 -0.118 0.000 2.407 303 V HA -0.277 3.844 4.120 0.001 0.000 0.248 303 V C 2.580 178.589 176.094 -0.143 0.000 1.055 303 V CA 1.976 64.189 62.300 -0.146 0.000 1.049 303 V CB -0.744 30.931 31.823 -0.247 0.000 0.662 303 V HN 0.451 nan 8.190 nan 0.000 0.455 304 K N -0.281 120.045 120.400 -0.123 0.000 2.103 304 K HA -0.148 4.172 4.320 0.001 0.000 0.204 304 K C 1.907 178.450 176.600 -0.095 0.000 1.052 304 K CA 1.401 57.629 56.287 -0.098 0.000 0.945 304 K CB -0.274 32.183 32.500 -0.072 0.000 0.722 304 K HN 0.425 nan 8.250 nan 0.000 0.443 305 D N 0.751 121.098 120.400 -0.087 0.000 2.182 305 D HA -0.160 4.480 4.640 0.001 0.000 0.201 305 D C 1.675 177.923 176.300 -0.087 0.000 0.986 305 D CA 1.237 55.197 54.000 -0.067 0.000 0.847 305 D CB -0.024 40.720 40.800 -0.093 0.000 0.942 305 D HN 0.220 nan 8.370 nan 0.000 0.467 306 A N 0.824 123.556 122.820 -0.146 0.000 1.874 306 A HA -0.116 4.204 4.320 0.001 0.000 0.214 306 A C 2.061 179.521 177.584 -0.206 0.000 1.189 306 A CA 1.018 52.961 52.037 -0.157 0.000 0.615 306 A CB -0.420 18.475 19.000 -0.174 0.000 0.830 306 A HN 0.143 nan 8.150 nan 0.000 0.443 307 E N -0.057 119.992 120.200 -0.252 0.000 2.070 307 E HA -0.264 4.087 4.350 0.001 0.000 0.197 307 E C 1.937 178.343 176.600 -0.324 0.000 1.004 307 E CA 1.358 57.519 56.400 -0.398 0.000 0.805 307 E CB -0.270 29.299 29.700 -0.219 0.000 0.744 307 E HN 0.682 nan 8.360 nan 0.000 0.451 308 E N 0.424 120.509 120.200 -0.193 0.000 2.136 308 E HA -0.250 4.100 4.350 0.001 0.000 0.202 308 E C 2.196 178.727 176.600 -0.116 0.000 1.019 308 E CA 1.636 57.949 56.400 -0.146 0.000 0.819 308 E CB -0.017 29.638 29.700 -0.076 0.000 0.739 308 E HN 0.107 nan 8.360 nan 0.000 0.458 309 V N 1.283 121.137 119.914 -0.100 0.000 2.233 309 V HA -0.303 3.818 4.120 0.001 0.000 0.247 309 V C 2.487 178.578 176.094 -0.006 0.000 1.050 309 V CA 1.776 64.062 62.300 -0.023 0.000 1.010 309 V CB -0.571 31.227 31.823 -0.042 0.000 0.637 309 V HN 0.314 nan 8.190 nan 0.000 0.444 310 L N -0.674 120.458 121.223 -0.151 0.000 2.079 310 L HA -0.273 4.068 4.340 0.001 0.000 0.210 310 L C 2.747 179.529 176.870 -0.146 0.000 1.081 310 L CA 1.764 56.517 54.840 -0.145 0.000 0.752 310 L CB -0.544 41.311 42.059 -0.341 0.000 0.896 310 L HN 0.433 nan 8.230 nan 0.000 0.433 311 Q N -0.695 118.876 119.800 -0.382 0.000 2.016 311 Q HA -0.213 4.127 4.340 0.001 0.000 0.200 311 Q C 2.228 178.124 176.000 -0.174 0.000 0.978 311 Q CA 1.096 56.472 55.803 -0.710 0.000 0.833 311 Q CB -0.208 27.982 28.738 -0.913 0.000 0.895 311 Q HN 0.253 nan 8.270 nan 0.000 0.427 312 L N 0.505 121.693 121.223 -0.059 0.000 2.137 312 L HA -0.210 4.131 4.340 0.001 0.000 0.213 312 L C 1.938 178.822 176.870 0.024 0.000 1.085 312 L CA 1.649 56.527 54.840 0.064 0.000 0.760 312 L CB -0.455 41.748 42.059 0.241 0.000 0.893 312 L HN 0.260 nan 8.230 nan 0.000 0.434 313 L N -1.480 119.753 121.223 0.018 0.000 2.418 313 L HA 0.132 4.472 4.340 0.001 0.000 0.218 313 L C 1.410 178.360 176.870 0.134 0.000 1.125 313 L CA 0.611 55.439 54.840 -0.020 0.000 0.835 313 L CB -0.421 41.625 42.059 -0.021 0.000 0.953 313 L HN 0.503 nan 8.230 nan 0.000 0.454 314 G N 1.019 109.970 108.800 0.251 0.000 2.182 314 G HA2 -0.266 3.695 3.960 0.001 0.000 0.248 314 G HA3 -0.266 3.695 3.960 0.001 0.000 0.248 314 G C -0.060 175.119 174.900 0.465 0.000 1.042 314 G CA -0.224 45.130 45.100 0.423 0.000 0.775 314 G HN 0.221 nan 8.290 nan 0.000 0.501 315 L N 1.870 123.357 121.223 0.440 0.000 2.294 315 L HA 0.396 4.736 4.340 0.001 0.000 0.283 315 L C -1.620 175.588 176.870 0.562 0.000 1.015 315 L CA -2.265 52.817 54.840 0.403 0.000 0.831 315 L CB 1.786 44.001 42.059 0.260 0.000 1.217 315 L HN -0.019 nan 8.230 nan 0.000 0.420 316 P HA 0.075 nan 4.420 nan 0.000 0.268 316 P C -1.488 176.148 177.300 0.561 0.000 1.205 316 P CA 0.329 63.680 63.100 0.418 0.000 0.771 316 P CB 0.683 32.432 31.700 0.081 0.000 0.858 317 Y N 0.397 121.015 120.300 0.530 0.000 2.840 317 Y HA 0.763 5.313 4.550 0.001 0.000 0.324 317 Y C -0.812 175.258 175.900 0.284 0.000 1.378 317 Y CA -1.437 56.975 58.100 0.520 0.000 1.077 317 Y CB 1.149 39.789 38.460 0.300 0.000 1.361 317 Y HN 0.559 nan 8.280 nan 0.000 0.459 318 R N 0.239 120.866 120.500 0.212 0.000 2.739 318 R HA 0.844 5.185 4.340 0.001 0.000 0.271 318 R C -2.378 174.021 176.300 0.166 0.000 1.010 318 R CA -1.100 54.972 56.100 -0.047 0.000 0.897 318 R CB 2.090 32.088 30.300 -0.503 0.000 1.236 318 R HN 0.544 nan 8.270 nan 0.000 0.466 319 V N 1.822 121.816 119.914 0.133 0.000 2.483 319 V HA 0.546 4.667 4.120 0.001 0.000 0.295 319 V C -0.548 175.620 176.094 0.124 0.000 1.035 319 V CA -0.783 61.609 62.300 0.153 0.000 0.896 319 V CB 1.703 33.615 31.823 0.149 0.000 0.986 319 V HN 0.560 nan 8.190 nan 0.000 0.447 320 V N 3.647 123.649 119.914 0.147 0.000 2.588 320 V HA 0.428 4.549 4.120 0.001 0.000 0.304 320 V C -0.257 175.908 176.094 0.119 0.000 1.042 320 V CA -0.673 61.693 62.300 0.110 0.000 0.877 320 V CB 2.053 33.911 31.823 0.059 0.000 0.996 320 V HN 1.050 nan 8.190 nan 0.000 0.425 321 E N 5.437 125.664 120.200 0.045 0.000 2.167 321 E HA 0.468 4.818 4.350 0.001 0.000 0.284 321 E C -0.940 175.590 176.600 -0.117 0.000 1.016 321 E CA -0.407 55.892 56.400 -0.168 0.000 0.817 321 E CB 0.981 30.555 29.700 -0.210 0.000 1.080 321 E HN 0.602 nan 8.360 nan 0.000 0.397 322 L N 4.905 126.044 121.223 -0.140 0.000 2.410 322 L HA 0.218 4.558 4.340 0.001 0.000 0.273 322 L C 0.623 177.447 176.870 -0.077 0.000 1.152 322 L CA -1.071 53.720 54.840 -0.082 0.000 0.855 322 L CB 0.109 42.124 42.059 -0.073 0.000 1.129 322 L HN 0.812 nan 8.230 nan 0.000 0.463 323 C N 0.400 119.674 119.300 -0.043 0.000 2.580 323 C HA 0.261 4.722 4.460 0.001 0.000 0.371 323 C C 2.091 177.064 174.990 -0.029 0.000 1.308 323 C CA -0.030 58.969 59.018 -0.032 0.000 2.428 323 C CB 0.659 28.390 27.740 -0.015 0.000 2.529 323 C HN 0.994 nan 8.230 nan 0.000 0.657 324 T N 0.100 114.641 114.554 -0.022 0.000 2.653 324 T HA -0.128 4.223 4.350 0.001 0.000 0.268 324 T C 1.802 176.493 174.700 -0.015 0.000 1.035 324 T CA 2.026 64.114 62.100 -0.020 0.000 1.154 324 T CB -1.318 67.543 68.868 -0.013 0.000 0.862 324 T HN 1.211 nan 8.240 nan 0.000 0.441 325 G N 0.570 109.366 108.800 -0.006 0.000 2.559 325 G HA2 -0.076 3.884 3.960 0.001 0.000 0.216 325 G HA3 -0.076 3.884 3.960 0.001 0.000 0.216 325 G C 1.195 176.099 174.900 0.006 0.000 1.126 325 G CA 0.809 45.911 45.100 0.004 0.000 0.778 325 G HN 0.574 nan 8.290 nan 0.000 0.543 326 D N -0.977 119.420 120.400 -0.005 0.000 2.407 326 D HA 0.100 4.741 4.640 0.001 0.000 0.208 326 D C 2.192 178.480 176.300 -0.020 0.000 1.083 326 D CA -0.442 53.554 54.000 -0.008 0.000 0.844 326 D CB 0.099 40.893 40.800 -0.010 0.000 0.967 326 D HN 0.037 nan 8.370 nan 0.000 0.506 327 L N 1.073 122.278 121.223 -0.031 0.000 2.011 327 L HA 0.001 4.342 4.340 0.001 0.000 0.225 327 L C 1.088 177.923 176.870 -0.059 0.000 1.084 327 L CA 2.271 57.079 54.840 -0.053 0.000 0.791 327 L CB -0.613 41.406 42.059 -0.067 0.000 0.898 327 L HN 0.300 nan 8.230 nan 0.000 0.440 328 G N -4.084 104.696 108.800 -0.034 0.000 3.233 328 G HA2 -0.223 3.737 3.960 0.001 0.000 0.686 328 G HA3 -0.223 3.737 3.960 0.001 0.000 0.686 328 G C 0.190 175.076 174.900 -0.025 0.000 1.153 328 G CA -0.191 44.889 45.100 -0.034 0.000 0.853 328 G HN 0.249 nan 8.290 nan 0.000 0.582 329 F N 1.929 121.822 119.950 -0.094 0.000 2.050 329 F HA -0.265 4.263 4.527 0.001 0.000 0.294 329 F C 2.715 178.310 175.800 -0.342 0.000 1.113 329 F CA 3.150 61.098 58.000 -0.087 0.000 1.225 329 F CB -0.023 39.063 39.000 0.142 0.000 0.953 329 F HN 0.511 nan 8.300 nan 0.000 0.501 330 S N -0.426 115.128 115.700 -0.244 0.000 2.436 330 S HA 0.221 4.691 4.470 0.001 0.000 0.228 330 S C 0.772 175.081 174.600 -0.484 0.000 1.014 330 S CA 0.229 58.132 58.200 -0.495 0.000 0.950 330 S CB -0.573 62.597 63.200 -0.049 0.000 0.784 330 S HN 0.461 nan 8.310 nan 0.000 0.504 331 A N 0.479 123.120 122.820 -0.297 0.000 2.445 331 A HA 0.627 4.948 4.320 0.001 0.000 0.242 331 A C 1.074 178.523 177.584 -0.227 0.000 1.075 331 A CA 0.388 52.297 52.037 -0.214 0.000 0.777 331 A CB 0.231 19.149 19.000 -0.137 0.000 1.013 331 A HN 0.410 nan 8.150 nan 0.000 0.493 332 A N 1.164 123.905 122.820 -0.130 0.000 2.192 332 A HA 0.478 4.798 4.320 0.001 0.000 0.208 332 A C 0.692 178.300 177.584 0.039 0.000 1.220 332 A CA 1.059 53.074 52.037 -0.037 0.000 0.900 332 A CB 0.140 19.164 19.000 0.041 0.000 0.937 332 A HN 0.848 nan 8.150 nan 0.000 0.487 333 K N -0.719 119.678 120.400 -0.004 0.000 2.583 333 K HA 0.475 4.796 4.320 0.001 0.000 0.260 333 K C -1.585 174.958 176.600 -0.094 0.000 0.931 333 K CA 0.182 56.452 56.287 -0.027 0.000 0.849 333 K CB 1.551 34.100 32.500 0.081 0.000 1.347 333 K HN 0.170 nan 8.250 nan 0.000 0.425 334 T N 2.064 116.500 114.554 -0.198 0.000 3.012 334 T HA 0.478 4.828 4.350 0.001 0.000 0.330 334 T C -1.899 172.644 174.700 -0.262 0.000 1.321 334 T CA -0.518 61.486 62.100 -0.159 0.000 1.067 334 T CB 0.529 69.354 68.868 -0.072 0.000 1.235 334 T HN 0.384 nan 8.240 nan 0.000 0.479 335 Y N 1.824 122.118 120.300 -0.010 0.000 2.387 335 Y HA 0.654 5.204 4.550 0.000 0.000 0.336 335 Y C 0.215 176.108 175.900 -0.011 0.000 1.067 335 Y CA -0.692 57.406 58.100 -0.004 0.000 1.114 335 Y CB 1.543 40.004 38.460 0.001 0.000 1.208 335 Y HN 0.594 nan 8.280 nan 0.000 0.458 336 D N 2.178 122.665 120.400 0.145 0.000 2.256 336 D HA 0.483 5.123 4.640 0.001 0.000 0.246 336 D C -0.733 175.625 176.300 0.096 0.000 1.042 336 D CA -0.291 53.760 54.000 0.084 0.000 0.841 336 D CB 1.558 42.391 40.800 0.055 0.000 1.223 336 D HN 0.345 nan 8.370 nan 0.000 0.470 337 I N 1.745 122.351 120.570 0.060 0.000 2.392 337 I HA 0.271 4.442 4.170 0.001 0.000 0.295 337 I C 0.141 176.315 176.117 0.095 0.000 0.985 337 I CA -0.536 60.797 61.300 0.056 0.000 1.221 337 I CB 1.258 39.220 38.000 -0.063 0.000 1.366 337 I HN 0.109 nan 8.210 nan 0.000 0.467 338 E N 4.893 125.198 120.200 0.174 0.000 2.191 338 E HA 0.424 4.774 4.350 0.001 0.000 0.263 338 E C -1.146 175.697 176.600 0.404 0.000 0.881 338 E CA -0.552 55.994 56.400 0.244 0.000 0.757 338 E CB 3.234 33.074 29.700 0.234 0.000 1.147 338 E HN 0.287 nan 8.360 nan 0.000 0.414 339 V N 3.548 123.642 119.914 0.299 0.000 2.973 339 V HA 0.323 4.443 4.120 0.001 0.000 0.314 339 V C -0.745 175.460 176.094 0.186 0.000 1.066 339 V CA -0.634 61.829 62.300 0.271 0.000 1.021 339 V CB 1.306 33.124 31.823 -0.009 0.000 1.076 339 V HN 0.749 nan 8.190 nan 0.000 0.462 340 W N 5.207 126.428 121.300 -0.132 0.000 2.311 340 W HA 0.384 5.045 4.660 0.001 0.000 0.310 340 W C -1.565 174.736 176.519 -0.363 0.000 1.274 340 W CA -0.675 56.458 57.345 -0.354 0.000 1.215 340 W CB 1.023 30.230 29.460 -0.422 0.000 1.227 340 W HN 0.487 nan 8.180 nan 0.000 0.523 341 F N 8.464 127.906 119.950 -0.845 0.000 2.359 341 F HA 0.214 4.741 4.527 0.001 0.000 0.369 341 F C -1.523 173.687 175.800 -0.983 0.000 1.084 341 F CA -2.094 55.523 58.000 -0.639 0.000 1.096 341 F CB 1.152 39.922 39.000 -0.384 0.000 1.335 341 F HN 0.193 nan 8.300 nan 0.000 0.457 342 P HA -0.283 nan 4.420 nan 0.000 0.214 342 P C 1.938 179.074 177.300 -0.274 0.000 1.169 342 P CA 2.050 65.008 63.100 -0.237 0.000 0.908 342 P CB 0.141 31.920 31.700 0.132 0.000 0.791 343 S N -0.825 114.731 115.700 -0.240 0.000 2.413 343 S HA -0.306 4.165 4.470 0.001 0.000 0.237 343 S C 1.776 176.246 174.600 -0.217 0.000 1.044 343 S CA 1.744 59.793 58.200 -0.253 0.000 1.024 343 S CB -0.978 62.049 63.200 -0.289 0.000 0.829 343 S HN 0.267 nan 8.310 nan 0.000 0.475 344 Q N -0.137 119.520 119.800 -0.237 0.000 2.282 344 Q HA 0.265 4.606 4.340 0.001 0.000 0.206 344 Q C 0.212 176.069 176.000 -0.240 0.000 0.878 344 Q CA 0.107 55.791 55.803 -0.199 0.000 0.944 344 Q CB 0.171 28.804 28.738 -0.175 0.000 1.100 344 Q HN 0.724 nan 8.270 nan 0.000 0.509 345 N N 1.846 120.324 118.700 -0.371 0.000 2.725 345 N HA -0.212 4.529 4.740 0.001 0.000 0.251 345 N C -1.298 173.987 175.510 -0.375 0.000 1.031 345 N CA 1.335 54.214 53.050 -0.285 0.000 0.720 345 N CB -0.628 37.866 38.487 0.011 0.000 0.930 345 N HN 0.426 nan 8.380 nan 0.000 0.543 346 K N -1.079 118.758 120.400 -0.937 0.000 2.642 346 K HA 0.222 4.542 4.320 0.001 0.000 0.290 346 K C -1.436 174.979 176.600 -0.307 0.000 1.006 346 K CA -0.851 55.236 56.287 -0.334 0.000 0.869 346 K CB 0.540 33.029 32.500 -0.018 0.000 1.499 346 K HN -0.039 nan 8.250 nan 0.000 0.403 347 Y N 0.917 121.336 120.300 0.197 0.000 2.299 347 Y HA 0.455 5.006 4.550 0.001 0.000 0.326 347 Y C 0.285 176.298 175.900 0.188 0.000 1.164 347 Y CA -0.201 58.057 58.100 0.264 0.000 1.234 347 Y CB 1.449 40.103 38.460 0.323 0.000 1.219 347 Y HN 0.267 nan 8.280 nan 0.000 0.497 348 R N 1.534 122.265 120.500 0.385 0.000 2.604 348 R HA 0.164 4.504 4.340 0.001 0.000 0.281 348 R C -1.058 175.390 176.300 0.246 0.000 1.020 348 R CA -1.151 55.131 56.100 0.304 0.000 0.899 348 R CB 2.141 32.654 30.300 0.354 0.000 1.205 348 R HN 0.726 nan 8.270 nan 0.000 0.450 349 E N 2.699 122.992 120.200 0.155 0.000 3.025 349 E HA -0.167 4.183 4.350 0.001 0.000 0.248 349 E C -0.021 176.632 176.600 0.088 0.000 0.938 349 E CA 0.573 57.031 56.400 0.097 0.000 0.958 349 E CB 0.390 30.114 29.700 0.040 0.000 0.898 349 E HN 0.519 nan 8.360 nan 0.000 0.537 350 I N 2.880 123.491 120.570 0.069 0.000 4.338 350 I HA 0.133 4.303 4.170 0.001 0.000 0.329 350 I C -0.475 175.648 176.117 0.011 0.000 1.378 350 I CA 0.060 61.386 61.300 0.044 0.000 1.170 350 I CB 0.759 38.782 38.000 0.039 0.000 1.206 350 I HN 0.330 nan 8.210 nan 0.000 0.432 351 S N -0.936 114.768 115.700 0.006 0.000 2.558 351 S HA 0.511 4.981 4.470 0.001 0.000 0.277 351 S C -1.264 173.336 174.600 -0.001 0.000 1.143 351 S CA -0.380 57.814 58.200 -0.011 0.000 0.865 351 S CB 1.792 64.966 63.200 -0.045 0.000 1.102 351 S HN -0.041 nan 8.310 nan 0.000 0.454 352 S N 2.464 118.160 115.700 -0.006 0.000 2.652 352 S HA 0.492 4.963 4.470 0.001 0.000 0.252 352 S C -1.066 173.533 174.600 -0.001 0.000 1.219 352 S CA -0.383 57.818 58.200 0.001 0.000 1.151 352 S CB -0.093 63.099 63.200 -0.013 0.000 1.080 352 S HN 0.796 nan 8.310 nan 0.000 0.481 353 C N 4.096 123.413 119.300 0.028 0.000 2.273 353 C HA 0.830 5.290 4.460 0.001 0.000 0.328 353 C C 0.502 175.529 174.990 0.061 0.000 1.275 353 C CA -0.731 58.305 59.018 0.030 0.000 1.704 353 C CB -0.576 27.181 27.740 0.029 0.000 2.326 353 C HN 0.840 nan 8.230 nan 0.000 0.517 354 S N 2.614 118.322 115.700 0.012 0.000 2.599 354 S HA 0.608 5.078 4.470 0.001 0.000 0.287 354 S C -1.153 173.420 174.600 -0.045 0.000 1.105 354 S CA -0.737 57.455 58.200 -0.013 0.000 0.899 354 S CB 1.594 64.767 63.200 -0.045 0.000 1.100 354 S HN 0.716 nan 8.310 nan 0.000 0.482 355 N N -0.497 118.150 118.700 -0.087 0.000 2.362 355 N HA 0.425 5.165 4.740 0.001 0.000 0.298 355 N C -0.679 174.734 175.510 -0.163 0.000 1.048 355 N CA -0.781 52.167 53.050 -0.171 0.000 0.858 355 N CB 1.457 39.724 38.487 -0.366 0.000 1.218 355 N HN 0.711 nan 8.380 nan 0.000 0.488 356 C N 1.938 121.141 119.300 -0.162 0.000 3.243 356 C HA 0.322 4.782 4.460 0.001 0.000 0.286 356 C C 1.057 175.923 174.990 -0.206 0.000 1.373 356 C CA -0.377 58.561 59.018 -0.133 0.000 1.749 356 C CB -1.703 26.009 27.740 -0.047 0.000 2.313 356 C HN 0.838 nan 8.230 nan 0.000 0.644 357 E N 2.068 122.010 120.200 -0.429 0.000 3.439 357 E HA -0.339 4.011 4.350 0.001 0.000 0.385 357 E C 0.327 176.408 176.600 -0.865 0.000 1.557 357 E CA 2.024 57.776 56.400 -1.080 0.000 1.684 357 E CB -0.947 28.477 29.700 -0.460 0.000 1.677 357 E HN 0.680 nan 8.360 nan 0.000 0.455 358 D N 0.509 120.659 120.400 -0.416 0.000 2.349 358 D HA 0.012 4.652 4.640 0.001 0.000 0.214 358 D C 1.503 177.738 176.300 -0.109 0.000 1.063 358 D CA 0.094 54.037 54.000 -0.094 0.000 0.847 358 D CB -0.285 40.543 40.800 0.047 0.000 0.933 358 D HN 0.229 nan 8.370 nan 0.000 0.513 359 F N 2.143 121.976 119.950 -0.195 0.000 2.015 359 F HA -0.277 4.251 4.527 0.001 0.000 0.297 359 F C 2.468 178.184 175.800 -0.140 0.000 1.141 359 F CA 2.217 60.112 58.000 -0.175 0.000 1.192 359 F CB -0.201 38.696 39.000 -0.172 0.000 0.957 359 F HN -0.113 nan 8.300 nan 0.000 0.491 360 Q N -0.278 119.582 119.800 0.099 0.000 2.124 360 Q HA -0.186 4.154 4.340 0.001 0.000 0.202 360 Q C 2.391 178.369 176.000 -0.036 0.000 0.977 360 Q CA 1.342 57.169 55.803 0.039 0.000 0.850 360 Q CB -0.571 28.230 28.738 0.104 0.000 0.901 360 Q HN 0.571 nan 8.270 nan 0.000 0.429 361 A N 1.339 124.150 122.820 -0.014 0.000 1.940 361 A HA -0.221 4.100 4.320 0.001 0.000 0.219 361 A C 2.017 179.581 177.584 -0.034 0.000 1.176 361 A CA 1.299 53.370 52.037 0.056 0.000 0.631 361 A CB -0.388 18.706 19.000 0.157 0.000 0.814 361 A HN 0.206 nan 8.150 nan 0.000 0.446 362 R N -0.092 120.194 120.500 -0.356 0.000 2.066 362 R HA -0.075 4.265 4.340 0.001 0.000 0.232 362 R C 1.154 177.274 176.300 -0.301 0.000 1.131 362 R CA 1.288 57.001 56.100 -0.645 0.000 0.955 362 R CB -0.227 29.620 30.300 -0.755 0.000 0.851 362 R HN 0.729 nan 8.270 nan 0.000 0.432 366 T N 1.614 116.331 114.554 0.272 0.000 2.864 366 T HA 0.574 4.924 4.350 0.001 0.000 0.310 366 T C 0.109 174.956 174.700 0.244 0.000 1.040 366 T CA -0.445 61.785 62.100 0.218 0.000 0.977 366 T CB 1.016 70.008 68.868 0.207 0.000 0.976 366 T HN 0.209 nan 8.240 nan 0.000 0.459 367 R N 1.783 122.367 120.500 0.140 0.000 3.029 367 R HA 0.888 5.229 4.340 0.001 0.000 0.239 367 R C -1.004 175.428 176.300 0.219 0.000 1.351 367 R CA -1.089 55.077 56.100 0.108 0.000 1.052 367 R CB 1.439 31.633 30.300 -0.178 0.000 1.354 367 R HN 0.677 nan 8.270 nan 0.000 0.499 368 F N -1.841 118.058 119.950 -0.084 0.000 2.641 368 F HA 0.508 5.035 4.527 0.001 0.000 0.308 368 F C -1.192 174.566 175.800 -0.069 0.000 1.105 368 F CA -1.253 56.709 58.000 -0.065 0.000 0.964 368 F CB 1.725 40.696 39.000 -0.048 0.000 1.294 368 F HN 0.139 nan 8.300 nan 0.000 0.442 369 K N 3.676 124.001 120.400 -0.125 0.000 2.267 369 K HA 0.155 4.475 4.320 0.001 0.000 0.282 369 K C -0.982 175.506 176.600 -0.186 0.000 1.078 369 K CA -0.605 55.550 56.287 -0.221 0.000 0.903 369 K CB 0.388 32.832 32.500 -0.093 0.000 1.111 369 K HN 0.823 nan 8.250 nan 0.000 0.475 370 D N 2.979 123.160 120.400 -0.365 0.000 2.255 370 D HA -0.059 4.581 4.640 0.001 0.000 0.249 370 D C 0.775 177.062 176.300 -0.020 0.000 1.078 370 D CA -0.390 53.544 54.000 -0.110 0.000 0.896 370 D CB 1.831 42.539 40.800 -0.154 0.000 1.194 370 D HN 0.524 nan 8.370 nan 0.000 0.429 371 S N 1.075 116.808 115.700 0.054 0.000 2.488 371 S HA -0.229 4.242 4.470 0.001 0.000 0.246 371 S C 0.935 175.540 174.600 0.010 0.000 0.992 371 S CA 0.873 59.090 58.200 0.027 0.000 0.963 371 S CB -0.182 63.040 63.200 0.036 0.000 0.754 371 S HN 0.368 nan 8.310 nan 0.000 0.519 372 K N 1.397 121.801 120.400 0.007 0.000 3.860 372 K HA 0.280 4.601 4.320 0.001 0.000 0.165 372 K C 2.378 178.962 176.600 -0.027 0.000 1.146 372 K CA 1.059 57.345 56.287 -0.002 0.000 1.673 372 K CB -1.419 31.091 32.500 0.016 0.000 2.306 372 K HN 0.276 nan 8.250 nan 0.000 0.504 373 T N -1.219 113.313 114.554 -0.037 0.000 2.814 373 T HA -0.222 4.129 4.350 0.001 0.000 0.264 373 T C 1.576 176.236 174.700 -0.067 0.000 1.050 373 T CA 2.294 64.363 62.100 -0.052 0.000 1.147 373 T CB -0.950 67.879 68.868 -0.065 0.000 0.833 373 T HN 0.642 nan 8.240 nan 0.000 0.498 374 G N 1.674 110.423 108.800 -0.085 0.000 2.267 374 G HA2 -0.345 3.616 3.960 0.001 0.000 0.257 374 G HA3 -0.345 3.616 3.960 0.001 0.000 0.257 374 G C 0.153 174.982 174.900 -0.118 0.000 0.998 374 G CA 0.660 45.708 45.100 -0.087 0.000 0.620 374 G HN 1.089 nan 8.290 nan 0.000 0.529 375 K N 0.564 120.882 120.400 -0.136 0.000 2.120 375 K HA 0.501 4.822 4.320 0.001 0.000 0.245 375 K C 0.064 176.519 176.600 -0.242 0.000 1.024 375 K CA -0.439 55.754 56.287 -0.155 0.000 0.906 375 K CB 0.654 33.078 32.500 -0.127 0.000 1.051 375 K HN 0.314 nan 8.250 nan 0.000 0.491 376 N N 0.597 119.154 118.700 -0.239 0.000 2.488 376 N HA 0.141 4.881 4.740 0.001 0.000 0.274 376 N C -0.920 174.364 175.510 -0.378 0.000 1.111 376 N CA -0.556 52.307 53.050 -0.313 0.000 0.974 376 N CB 0.746 39.077 38.487 -0.260 0.000 1.089 376 N HN 0.319 nan 8.380 nan 0.000 0.465 377 R N 1.664 121.879 120.500 -0.476 0.000 2.628 377 R HA 0.339 4.679 4.340 0.001 0.000 0.288 377 R C -1.015 175.275 176.300 -0.017 0.000 0.980 377 R CA -0.800 55.113 56.100 -0.311 0.000 0.891 377 R CB 1.432 31.485 30.300 -0.412 0.000 1.188 377 R HN 0.378 nan 8.270 nan 0.000 0.450 378 F N 1.949 121.990 119.950 0.151 0.000 2.518 378 F HA 0.045 4.573 4.527 0.001 0.000 0.359 378 F C 1.287 177.252 175.800 0.275 0.000 1.118 378 F CA -0.287 57.827 58.000 0.191 0.000 1.287 378 F CB 0.494 39.572 39.000 0.130 0.000 1.132 378 F HN 0.203 nan 8.300 nan 0.000 0.587 379 V N 0.438 120.592 119.914 0.402 0.000 3.489 379 V HA 0.330 4.451 4.120 0.001 0.000 0.297 379 V C -0.135 176.143 176.094 0.306 0.000 1.071 379 V CA -0.781 61.630 62.300 0.184 0.000 1.074 379 V CB 0.692 32.557 31.823 0.069 0.000 1.188 379 V HN 0.690 nan 8.190 nan 0.000 0.458 380 H N -0.219 118.843 119.070 -0.013 0.000 2.524 380 H HA 0.613 5.169 4.556 0.001 0.000 0.353 380 H C -0.427 174.905 175.328 0.007 0.000 1.136 380 H CA -0.223 55.828 56.048 0.005 0.000 1.193 380 H CB 2.084 31.833 29.762 -0.022 0.000 1.558 380 H HN 0.995 nan 8.280 nan 0.000 0.515 381 T N 1.401 115.993 114.554 0.063 0.000 2.885 381 T HA 0.655 5.006 4.350 0.001 0.000 0.285 381 T C -0.747 173.959 174.700 0.010 0.000 1.019 381 T CA -0.853 61.279 62.100 0.053 0.000 1.010 381 T CB 1.642 70.543 68.868 0.057 0.000 1.022 381 T HN 0.181 nan 8.240 nan 0.000 0.466 382 L N 2.072 123.312 121.223 0.029 0.000 2.415 382 L HA 0.768 5.109 4.340 0.001 0.000 0.256 382 L C -0.895 175.988 176.870 0.020 0.000 1.010 382 L CA -0.695 54.147 54.840 0.004 0.000 0.826 382 L CB 2.459 44.520 42.059 0.003 0.000 1.405 382 L HN 1.132 nan 8.230 nan 0.000 0.410 383 N N -0.448 118.250 118.700 -0.003 0.000 2.859 383 N HA 0.852 5.593 4.740 0.001 0.000 0.250 383 N C -1.012 174.479 175.510 -0.032 0.000 1.341 383 N CA -0.478 52.565 53.050 -0.012 0.000 0.881 383 N CB 2.127 40.608 38.487 -0.009 0.000 1.516 383 N HN 0.838 nan 8.380 nan 0.000 0.503 384 G N -0.801 107.964 108.800 -0.058 0.000 2.579 384 G HA2 0.471 4.431 3.960 0.001 0.000 0.292 384 G HA3 0.471 4.431 3.960 0.001 0.000 0.292 384 G C -1.631 173.211 174.900 -0.096 0.000 1.484 384 G CA -0.895 44.165 45.100 -0.067 0.000 0.813 384 G HN 0.551 nan 8.290 nan 0.000 0.515 385 S N -0.033 115.624 115.700 -0.072 0.000 2.430 385 S HA 0.418 4.889 4.470 0.001 0.000 0.282 385 S C 1.157 175.693 174.600 -0.106 0.000 1.186 385 S CA 0.299 58.461 58.200 -0.064 0.000 1.060 385 S CB 1.295 64.486 63.200 -0.014 0.000 0.966 385 S HN 1.197 nan 8.310 nan 0.000 0.501 386 G N 3.540 112.254 108.800 -0.143 0.000 3.452 386 G HA2 0.374 4.335 3.960 0.001 0.000 0.258 386 G HA3 0.374 4.335 3.960 0.001 0.000 0.258 386 G C 0.148 175.059 174.900 0.018 0.000 1.305 386 G CA -0.336 44.676 45.100 -0.147 0.000 1.514 386 G HN 0.714 nan 8.290 nan 0.000 0.593 387 L N -1.468 119.745 121.223 -0.017 0.000 2.178 387 L HA -0.122 4.218 4.340 0.001 0.000 0.544 387 L C 0.511 177.410 176.870 0.048 0.000 1.001 387 L CA 0.038 54.883 54.840 0.008 0.000 1.227 387 L CB -1.521 40.543 42.059 0.008 0.000 1.826 387 L HN 0.486 nan 8.230 nan 0.000 0.953 388 A N 4.330 127.193 122.820 0.073 0.000 2.444 388 A HA 0.481 4.801 4.320 0.001 0.000 0.273 388 A C 1.243 178.908 177.584 0.135 0.000 1.136 388 A CA 0.220 52.349 52.037 0.154 0.000 0.799 388 A CB 0.823 19.924 19.000 0.168 0.000 1.081 388 A HN 0.593 nan 8.150 nan 0.000 0.509 389 V N 4.470 124.472 119.914 0.147 0.000 2.231 389 V HA -0.289 3.831 4.120 0.001 0.000 0.248 389 V C 2.876 179.036 176.094 0.109 0.000 1.054 389 V CA 2.670 65.036 62.300 0.111 0.000 1.015 389 V CB -1.742 30.146 31.823 0.107 0.000 0.638 389 V HN 1.014 nan 8.190 nan 0.000 0.444 390 G N -0.263 108.626 108.800 0.148 0.000 2.599 390 G HA2 -0.385 3.576 3.960 0.001 0.000 0.219 390 G HA3 -0.385 3.576 3.960 0.001 0.000 0.219 390 G C 1.723 176.673 174.900 0.082 0.000 1.193 390 G CA 1.548 46.720 45.100 0.120 0.000 0.778 390 G HN 0.434 nan 8.290 nan 0.000 0.589 391 R N -0.382 120.163 120.500 0.074 0.000 2.120 391 R HA -0.003 4.338 4.340 0.001 0.000 0.234 391 R C 2.961 179.325 176.300 0.108 0.000 1.123 391 R CA 1.711 57.874 56.100 0.106 0.000 0.975 391 R CB -0.473 29.890 30.300 0.107 0.000 0.866 391 R HN 0.404 nan 8.270 nan 0.000 0.446 392 T N 1.094 115.686 114.554 0.063 0.000 2.737 392 T HA -0.123 4.228 4.350 0.001 0.000 0.265 392 T C 1.563 176.281 174.700 0.030 0.000 1.038 392 T CA 1.079 63.196 62.100 0.027 0.000 1.144 392 T CB -0.261 68.624 68.868 0.027 0.000 0.866 392 T HN 0.090 nan 8.240 nan 0.000 0.434 393 L N 2.048 123.299 121.223 0.048 0.000 1.971 393 L HA -0.094 4.247 4.340 0.001 0.000 0.215 393 L C 2.659 179.577 176.870 0.079 0.000 1.072 393 L CA 2.295 57.168 54.840 0.055 0.000 0.758 393 L CB -1.338 40.764 42.059 0.072 0.000 0.889 393 L HN 0.245 nan 8.230 nan 0.000 0.433 394 A N -0.565 122.302 122.820 0.078 0.000 1.917 394 A HA -0.201 4.119 4.320 0.001 0.000 0.219 394 A C 2.454 180.162 177.584 0.208 0.000 1.182 394 A CA 2.469 54.544 52.037 0.063 0.000 0.633 394 A CB -1.332 17.476 19.000 -0.320 0.000 0.819 394 A HN 0.699 nan 8.150 nan 0.000 0.448 395 A N -0.170 122.711 122.820 0.102 0.000 1.877 395 A HA -0.092 4.228 4.320 0.001 0.000 0.216 395 A C 2.151 179.769 177.584 0.056 0.000 1.186 395 A CA 1.530 53.496 52.037 -0.119 0.000 0.620 395 A CB -0.622 18.227 19.000 -0.251 0.000 0.822 395 A HN 0.502 nan 8.150 nan 0.000 0.443 396 I N -0.857 119.750 120.570 0.062 0.000 2.127 396 I HA -0.269 3.901 4.170 0.001 0.000 0.241 396 I C 2.310 178.520 176.117 0.154 0.000 1.075 396 I CA 1.126 62.463 61.300 0.062 0.000 1.334 396 I CB -0.333 37.634 38.000 -0.055 0.000 1.040 396 I HN 0.234 nan 8.210 nan 0.000 0.405 397 L N 0.436 121.744 121.223 0.142 0.000 2.081 397 L HA -0.240 4.101 4.340 0.001 0.000 0.212 397 L C 2.395 179.387 176.870 0.203 0.000 1.080 397 L CA 1.865 56.806 54.840 0.170 0.000 0.754 397 L CB -0.776 41.391 42.059 0.181 0.000 0.893 397 L HN 0.289 nan 8.230 nan 0.000 0.433 398 E N -1.423 118.906 120.200 0.215 0.000 2.140 398 E HA -0.041 4.309 4.350 0.001 0.000 0.191 398 E C 1.550 178.320 176.600 0.283 0.000 0.973 398 E CA 0.462 56.986 56.400 0.206 0.000 0.829 398 E CB -0.035 29.777 29.700 0.187 0.000 0.781 398 E HN 0.518 nan 8.360 nan 0.000 0.466 399 N N 0.024 118.900 118.700 0.295 0.000 2.463 399 N HA -0.055 4.686 4.740 0.001 0.000 0.181 399 N C 0.295 175.888 175.510 0.139 0.000 1.078 399 N CA 0.759 53.970 53.050 0.268 0.000 0.902 399 N CB 0.293 38.925 38.487 0.243 0.000 0.970 399 N HN 0.210 nan 8.380 nan 0.000 0.451 400 Y N 0.919 121.303 120.300 0.140 0.000 2.682 400 Y HA 0.172 4.723 4.550 0.001 0.000 0.251 400 Y C 0.732 176.715 175.900 0.139 0.000 1.172 400 Y CA -0.713 57.450 58.100 0.104 0.000 1.186 400 Y CB 0.058 38.554 38.460 0.060 0.000 1.216 400 Y HN 0.041 nan 8.280 nan 0.000 0.540 401 Q N 0.347 120.343 119.800 0.326 0.000 2.382 401 Q HA 0.409 4.749 4.340 0.001 0.000 0.229 401 Q C -0.680 175.548 176.000 0.380 0.000 1.006 401 Q CA -0.418 55.573 55.803 0.313 0.000 0.916 401 Q CB 0.960 29.889 28.738 0.317 0.000 1.235 401 Q HN 0.303 nan 8.270 nan 0.000 0.512 402 Q N 0.246 120.202 119.800 0.261 0.000 2.413 402 Q HA 0.100 4.441 4.340 0.001 0.000 0.276 402 Q C 0.083 175.986 176.000 -0.161 0.000 1.099 402 Q CA -0.703 55.193 55.803 0.153 0.000 0.814 402 Q CB 1.816 30.585 28.738 0.052 0.000 1.379 402 Q HN 0.790 nan 8.270 nan 0.000 0.436 403 E N 1.190 120.992 120.200 -0.663 0.000 2.114 403 E HA -0.310 4.041 4.350 0.001 0.000 0.199 403 E C 0.939 177.292 176.600 -0.412 0.000 1.008 403 E CA 2.473 58.269 56.400 -1.006 0.000 0.810 403 E CB -0.581 28.611 29.700 -0.845 0.000 0.739 403 E HN 0.817 nan 8.360 nan 0.000 0.456 404 D N -1.025 119.236 120.400 -0.231 0.000 2.312 404 D HA 0.061 4.702 4.640 0.001 0.000 0.211 404 D C 1.503 177.755 176.300 -0.080 0.000 0.964 404 D CA 1.344 55.268 54.000 -0.127 0.000 0.877 404 D CB 0.086 40.835 40.800 -0.085 0.000 0.924 404 D HN 0.408 nan 8.370 nan 0.000 0.515 405 G N -0.447 108.315 108.800 -0.063 0.000 2.316 405 G HA2 -0.246 3.714 3.960 0.001 0.000 0.203 405 G HA3 -0.246 3.714 3.960 0.001 0.000 0.203 405 G C 0.554 175.464 174.900 0.017 0.000 0.999 405 G CA 0.131 45.225 45.100 -0.011 0.000 0.649 405 G HN 0.772 nan 8.290 nan 0.000 0.489 406 S N -0.502 115.199 115.700 0.003 0.000 2.606 406 S HA 0.621 5.092 4.470 0.001 0.000 0.257 406 S C 0.067 174.691 174.600 0.040 0.000 1.327 406 S CA 0.332 58.533 58.200 0.002 0.000 0.984 406 S CB 1.982 65.167 63.200 -0.024 0.000 0.941 406 S HN 1.243 nan 8.310 nan 0.000 0.576 407 V N 0.998 120.929 119.914 0.028 0.000 2.569 407 V HA 0.335 4.455 4.120 0.001 0.000 0.301 407 V C -0.520 175.604 176.094 0.050 0.000 1.044 407 V CA -0.975 61.372 62.300 0.078 0.000 0.874 407 V CB 1.667 33.538 31.823 0.081 0.000 1.002 407 V HN 0.830 nan 8.190 nan 0.000 0.424 408 V N 5.011 125.000 119.914 0.125 0.000 2.439 408 V HA 0.187 4.307 4.120 0.001 0.000 0.271 408 V C 0.482 176.609 176.094 0.054 0.000 1.040 408 V CA -0.384 61.982 62.300 0.110 0.000 1.002 408 V CB 1.164 33.106 31.823 0.199 0.000 1.000 408 V HN 0.615 nan 8.190 nan 0.000 0.477 409 V N 8.391 128.275 119.914 -0.050 0.000 2.585 409 V HA 0.129 4.250 4.120 0.001 0.000 0.296 409 V C -1.871 174.119 176.094 -0.174 0.000 1.035 409 V CA -1.149 61.071 62.300 -0.135 0.000 1.084 409 V CB 0.967 32.729 31.823 -0.103 0.000 0.953 409 V HN 0.780 nan 8.190 nan 0.000 0.483 410 P HA -0.008 nan 4.420 nan 0.000 0.262 410 P C 0.980 178.188 177.300 -0.154 0.000 1.182 410 P CA 0.016 62.909 63.100 -0.345 0.000 0.761 410 P CB 0.454 31.849 31.700 -0.508 0.000 0.795 411 E N 3.451 123.621 120.200 -0.050 0.000 2.253 411 E HA -0.225 4.125 4.350 0.001 0.000 0.202 411 E C 1.080 177.643 176.600 -0.062 0.000 1.014 411 E CA 2.249 58.632 56.400 -0.029 0.000 0.823 411 E CB -1.068 28.640 29.700 0.014 0.000 0.736 411 E HN 0.348 nan 8.360 nan 0.000 0.478 412 V N -2.248 117.583 119.914 -0.138 0.000 3.647 412 V HA 0.212 4.332 4.120 0.001 0.000 0.279 412 V C 2.097 178.088 176.094 -0.171 0.000 1.314 412 V CA 0.147 62.346 62.300 -0.168 0.000 1.125 412 V CB -0.382 31.268 31.823 -0.287 0.000 0.907 412 V HN 0.119 nan 8.190 nan 0.000 0.434 413 L N -0.744 120.376 121.223 -0.172 0.000 2.556 413 L HA 0.305 4.646 4.340 0.001 0.000 0.226 413 L C 2.713 179.632 176.870 0.081 0.000 1.089 413 L CA 0.227 55.034 54.840 -0.055 0.000 0.864 413 L CB -0.244 41.708 42.059 -0.178 0.000 1.067 413 L HN 0.168 nan 8.230 nan 0.000 0.477 414 R N 0.428 120.936 120.500 0.013 0.000 2.096 414 R HA -0.201 4.139 4.340 0.001 0.000 0.240 414 R C 1.611 177.931 176.300 0.033 0.000 1.139 414 R CA 1.741 57.853 56.100 0.019 0.000 0.952 414 R CB -0.288 30.006 30.300 -0.010 0.000 0.854 414 R HN 0.227 nan 8.270 nan 0.000 0.436 415 D N -0.858 119.538 120.400 -0.006 0.000 2.264 415 D HA -0.122 4.518 4.640 0.001 0.000 0.208 415 D C 1.303 177.516 176.300 -0.145 0.000 0.966 415 D CA 1.128 55.066 54.000 -0.103 0.000 0.864 415 D CB 0.106 40.783 40.800 -0.205 0.000 0.933 415 D HN 0.293 nan 8.370 nan 0.000 0.499 416 Y N -0.710 119.594 120.300 0.007 0.000 2.389 416 Y HA -0.018 4.533 4.550 0.001 0.000 0.292 416 Y C 2.315 178.238 175.900 0.037 0.000 1.117 416 Y CA 0.219 58.332 58.100 0.021 0.000 1.195 416 Y CB -0.081 38.392 38.460 0.022 0.000 1.076 416 Y HN -0.173 nan 8.280 nan 0.000 0.548 417 V N -1.422 118.619 119.914 0.211 0.000 2.300 417 V HA 0.227 4.348 4.120 0.001 0.000 0.241 417 V C 1.767 178.011 176.094 0.250 0.000 1.034 417 V CA 1.658 64.085 62.300 0.211 0.000 1.021 417 V CB -0.900 31.047 31.823 0.207 0.000 0.662 417 V HN 0.551 nan 8.190 nan 0.000 0.458 418 G N -0.000 108.931 108.800 0.219 0.000 1.937 418 G HA2 -0.114 3.846 3.960 0.001 0.000 0.075 418 G HA3 -0.114 3.846 3.960 0.001 0.000 0.075 418 G C 0.440 175.438 174.900 0.164 0.000 2.264 418 G CA 0.050 45.295 45.100 0.241 0.000 1.288 418 G HN 0.637 nan 8.290 nan 0.000 0.396 419 T N 1.128 115.758 114.554 0.127 0.000 2.734 419 T HA 0.414 4.764 4.350 0.001 0.000 0.314 419 T C 0.878 175.509 174.700 -0.114 0.000 1.057 419 T CA 1.251 63.268 62.100 -0.139 0.000 1.047 419 T CB 1.005 69.520 68.868 -0.587 0.000 0.991 419 T HN 0.646 nan 8.240 nan 0.000 0.540 420 D N -1.421 118.904 120.400 -0.125 0.000 2.417 420 D HA 0.263 4.904 4.640 0.001 0.000 0.207 420 D C 0.328 176.567 176.300 -0.103 0.000 1.075 420 D CA -0.191 53.759 54.000 -0.083 0.000 0.851 420 D CB 0.086 40.857 40.800 -0.050 0.000 0.976 420 D HN 0.515 nan 8.370 nan 0.000 0.505 421 V N 0.950 120.759 119.914 -0.175 0.000 2.882 421 V HA 0.369 4.490 4.120 0.001 0.000 0.295 421 V C -1.774 174.129 176.094 -0.319 0.000 1.273 421 V CA -1.171 61.024 62.300 -0.174 0.000 0.949 421 V CB 1.870 33.634 31.823 -0.099 0.000 1.071 421 V HN 0.211 nan 8.190 nan 0.000 0.432 422 I N 5.741 126.115 120.570 -0.327 0.000 2.347 422 I HA 0.626 4.797 4.170 0.001 0.000 0.283 422 I C 0.362 176.329 176.117 -0.249 0.000 1.058 422 I CA -0.717 60.290 61.300 -0.489 0.000 1.202 422 I CB 0.974 38.652 38.000 -0.537 0.000 1.386 422 I HN 0.707 nan 8.210 nan 0.000 0.475 423 R N 4.603 124.975 120.500 -0.213 0.000 2.543 423 R HA 0.524 4.865 4.340 0.001 0.000 0.268 423 R C -2.652 173.624 176.300 -0.039 0.000 1.067 423 R CA -1.982 54.061 56.100 -0.094 0.000 1.142 423 R CB -0.698 29.558 30.300 -0.073 0.000 1.110 423 R HN 0.303 nan 8.270 nan 0.000 0.549 424 P HA -0.154 nan 4.420 nan 0.000 0.238 424 P C -0.043 177.291 177.300 0.056 0.000 1.090 424 P CA 0.938 64.058 63.100 0.032 0.000 0.944 424 P CB -0.063 31.650 31.700 0.022 0.000 0.881 425 E N 0.000 120.260 120.200 0.099 0.000 2.725 425 E HA 0.000 4.351 4.350 0.001 0.000 0.291 425 E CA 0.000 56.486 56.400 0.143 0.000 0.976 425 E CB 0.000 29.770 29.700 0.116 0.000 0.812 425 E HN 0.000 nan 8.360 nan 0.000 0.440