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 2vlc_1_B DATA FIRST_RESID 1 DATA SEQUENCE YQTVTFTTKN ATKTSYTQFI EALRAQLASG EEPHGIPVMR ERSTVPDSKR DATA SEQUENCE FILVELSNWA ADSPVTLAVD VTNAYVVAYR TGSQSFFLRE DNPDPAIENL DATA SEQUENCE LPDTKRYTFP FSGSYTDLER VAGERREEIL LGMDPLENAI SALWISNLNQ DATA SEQUENCE QRALARSLIV VIQMVAEAVR FRFIEYRVRE SISRAEMFRP DPAMLSLENK DATA SEQUENCE WSALSNAVQQ SNQGGVFSSP VELRSISNKP VYVGSVSDRV ISGLAIMLFI DATA SEQUENCE cRSTXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXNDDTcA DPEPTVRISG DATA SEQUENCE RNGLcVRVRD GKYNNGNPIQ LWPcKQNSDV NQLWTLRRDG TIRSNGKcLT DATA SEQUENCE TNGYSAGDYV MIYDcRTPVT AASIWQFWAN GTIINPQSAL VLSAESGNPR DATA SEQUENCE TTLTVQADIY ASRQGWLAGN NTEPFVTSIV GFNDLcMQAN GDAMWVVEcE DATA SEQUENCE SSKAEQKWAL YPDGSIRPHQ DRDRcLTSTD NHSQGSIIII SScSPGSEGQ DATA SEQUENCE RWVFMNDGTI LNLKNGLVMD VKGSDPSLHQ IIIWPATGKP NQKWLPLL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 Y HA 0.000 nan 4.550 nan 0.000 0.201 1 Y C 0.000 175.925 175.900 0.041 0.000 1.272 1 Y CA 0.000 58.118 58.100 0.030 0.000 1.940 1 Y CB 0.000 38.473 38.460 0.022 0.000 1.050 2 Q N -0.422 119.498 119.800 0.199 0.000 2.506 2 Q HA 0.219 4.558 4.340 -0.002 0.000 0.239 2 Q C -0.182 175.899 176.000 0.134 0.000 0.782 2 Q CA 0.772 56.665 55.803 0.150 0.000 0.972 2 Q CB 1.851 30.665 28.738 0.127 0.000 1.304 2 Q HN 0.231 nan 8.270 nan 0.000 0.534 3 T N 1.734 116.364 114.554 0.125 0.000 2.833 3 T HA 0.447 4.795 4.350 -0.002 0.000 0.297 3 T C -0.261 174.520 174.700 0.135 0.000 1.015 3 T CA -0.491 61.682 62.100 0.122 0.000 0.963 3 T CB 1.805 70.732 68.868 0.098 0.000 0.955 3 T HN 0.079 nan 8.240 nan 0.000 0.449 4 V N 1.380 121.396 119.914 0.170 0.000 2.472 4 V HA 0.927 5.046 4.120 -0.002 0.000 0.290 4 V C 0.139 176.387 176.094 0.256 0.000 1.037 4 V CA -0.670 61.766 62.300 0.226 0.000 0.908 4 V CB 1.202 33.187 31.823 0.269 0.000 0.985 4 V HN 0.960 nan 8.190 nan 0.000 0.454 5 T N 2.410 117.087 114.554 0.204 0.000 2.888 5 T HA 0.794 5.143 4.350 -0.002 0.000 0.284 5 T C -1.029 173.659 174.700 -0.019 0.000 1.017 5 T CA -0.484 61.663 62.100 0.079 0.000 1.022 5 T CB 1.737 70.619 68.868 0.023 0.000 1.013 5 T HN 1.018 nan 8.240 nan 0.000 0.465 6 F N 0.978 120.638 119.950 -0.483 0.000 2.578 6 F HA 0.683 5.208 4.527 -0.002 0.000 0.311 6 F C -0.558 175.010 175.800 -0.388 0.000 1.094 6 F CA -0.483 57.120 58.000 -0.660 0.000 0.923 6 F CB 2.412 40.500 39.000 -1.519 0.000 1.230 6 F HN 0.896 nan 8.300 nan 0.000 0.450 7 T N 2.539 116.437 114.554 -1.094 0.000 2.893 7 T HA 0.384 4.732 4.350 -0.002 0.000 0.291 7 T C 0.534 174.555 174.700 -1.131 0.000 1.028 7 T CA -0.047 61.526 62.100 -0.878 0.000 0.995 7 T CB 1.634 70.168 68.868 -0.557 0.000 1.051 7 T HN 0.715 nan 8.240 nan 0.000 0.470 8 T N 2.511 116.621 114.554 -0.739 0.000 2.851 8 T HA 0.090 4.439 4.350 -0.002 0.000 0.262 8 T C 0.590 174.932 174.700 -0.597 0.000 1.043 8 T CA 0.587 62.355 62.100 -0.554 0.000 1.140 8 T CB -0.200 68.436 68.868 -0.386 0.000 0.872 8 T HN 0.564 nan 8.240 nan 0.000 0.446 9 K N 2.948 122.820 120.400 -0.879 0.000 2.438 9 K HA -0.088 4.231 4.320 -0.002 0.000 0.270 9 K C 0.083 176.414 176.600 -0.449 0.000 1.095 9 K CA 0.290 55.964 56.287 -1.022 0.000 1.174 9 K CB -0.384 31.550 32.500 -0.942 0.000 0.830 9 K HN 0.335 nan 8.250 nan 0.000 0.487 10 N N 0.376 118.979 118.700 -0.162 0.000 2.699 10 N HA -0.245 4.494 4.740 -0.002 0.000 0.256 10 N C -0.658 174.810 175.510 -0.070 0.000 0.993 10 N CA 0.426 53.465 53.050 -0.017 0.000 0.759 10 N CB -0.476 38.018 38.487 0.012 0.000 0.906 10 N HN 0.658 nan 8.380 nan 0.000 0.541 11 A N 0.696 123.464 122.820 -0.087 0.000 2.363 11 A HA 0.465 4.783 4.320 -0.002 0.000 0.270 11 A C 0.668 178.274 177.584 0.037 0.000 1.121 11 A CA 0.131 52.132 52.037 -0.060 0.000 0.800 11 A CB 1.217 20.169 19.000 -0.080 0.000 1.052 11 A HN 0.273 nan 8.150 nan 0.000 0.493 12 T N 0.065 114.669 114.554 0.082 0.000 2.942 12 T HA 0.309 4.658 4.350 -0.002 0.000 0.289 12 T C 1.195 175.982 174.700 0.146 0.000 1.044 12 T CA -0.375 61.777 62.100 0.087 0.000 1.023 12 T CB 1.154 70.060 68.868 0.063 0.000 1.123 12 T HN 0.720 nan 8.240 nan 0.000 0.512 13 K N 0.880 121.338 120.400 0.097 0.000 2.209 13 K HA -0.087 4.232 4.320 -0.002 0.000 0.204 13 K C 1.538 178.228 176.600 0.151 0.000 1.048 13 K CA 1.901 58.256 56.287 0.113 0.000 0.940 13 K CB -0.501 32.018 32.500 0.032 0.000 0.729 13 K HN 0.665 nan 8.250 nan 0.000 0.451 14 T N 0.540 115.161 114.554 0.111 0.000 2.770 14 T HA -0.118 4.231 4.350 -0.002 0.000 0.263 14 T C 2.047 176.837 174.700 0.150 0.000 1.039 14 T CA 1.621 63.782 62.100 0.102 0.000 1.142 14 T CB -0.270 68.638 68.868 0.066 0.000 0.868 14 T HN 0.482 nan 8.240 nan 0.000 0.435 15 S N 0.992 116.807 115.700 0.190 0.000 2.423 15 S HA -0.129 4.340 4.470 -0.002 0.000 0.231 15 S C 1.953 176.796 174.600 0.406 0.000 1.014 15 S CA 0.640 58.986 58.200 0.245 0.000 0.965 15 S CB -0.806 62.509 63.200 0.192 0.000 0.785 15 S HN 0.559 nan 8.310 nan 0.000 0.495 16 Y N 2.683 123.179 120.300 0.326 0.000 2.200 16 Y HA -0.023 4.526 4.550 -0.001 0.000 0.290 16 Y C 2.518 178.489 175.900 0.119 0.000 1.137 16 Y CA 1.883 60.125 58.100 0.237 0.000 1.163 16 Y CB -0.919 37.629 38.460 0.146 0.000 0.988 16 Y HN 0.274 nan 8.280 nan 0.000 0.518 17 T N -0.002 114.566 114.554 0.024 0.000 2.821 17 T HA -0.213 4.136 4.350 -0.002 0.000 0.267 17 T C 2.186 176.838 174.700 -0.079 0.000 1.046 17 T CA 1.901 63.946 62.100 -0.092 0.000 1.139 17 T CB -0.626 68.253 68.868 0.019 0.000 0.871 17 T HN 0.583 nan 8.240 nan 0.000 0.454 18 Q N 0.686 120.506 119.800 0.033 0.000 2.135 18 Q HA -0.134 4.205 4.340 -0.002 0.000 0.204 18 Q C 1.955 177.991 176.000 0.061 0.000 0.981 18 Q CA 2.042 57.880 55.803 0.059 0.000 0.856 18 Q CB -1.313 27.491 28.738 0.109 0.000 0.902 18 Q HN 0.720 nan 8.270 nan 0.000 0.425 19 F N 0.789 120.694 119.950 -0.076 0.000 2.098 19 F HA -0.040 4.485 4.527 -0.002 0.000 0.294 19 F C 2.016 177.689 175.800 -0.210 0.000 1.107 19 F CA 1.208 59.146 58.000 -0.104 0.000 1.234 19 F CB -0.204 38.758 39.000 -0.063 0.000 1.002 19 F HN 0.199 nan 8.300 nan 0.000 0.472 20 I N 0.833 120.913 120.570 -0.817 0.000 2.208 20 I HA -0.270 3.898 4.170 -0.002 0.000 0.245 20 I C 2.338 178.183 176.117 -0.454 0.000 1.097 20 I CA 1.712 62.534 61.300 -0.796 0.000 1.363 20 I CB -1.556 36.039 38.000 -0.673 0.000 1.051 20 I HN 0.293 nan 8.210 nan 0.000 0.413 21 E N 0.793 120.818 120.200 -0.293 0.000 2.152 21 E HA -0.077 4.271 4.350 -0.002 0.000 0.192 21 E C 2.225 178.748 176.600 -0.129 0.000 0.983 21 E CA 1.218 57.519 56.400 -0.165 0.000 0.818 21 E CB -0.020 29.623 29.700 -0.095 0.000 0.758 21 E HN 0.431 nan 8.360 nan 0.000 0.467 22 A N 0.045 122.786 122.820 -0.131 0.000 1.970 22 A HA -0.053 4.266 4.320 -0.002 0.000 0.216 22 A C 1.976 179.508 177.584 -0.087 0.000 1.170 22 A CA 0.785 52.787 52.037 -0.059 0.000 0.645 22 A CB -0.404 18.599 19.000 0.006 0.000 0.816 22 A HN 0.337 nan 8.150 nan 0.000 0.447 23 L N -0.078 121.019 121.223 -0.210 0.000 2.109 23 L HA 0.007 4.345 4.340 -0.002 0.000 0.207 23 L C 2.322 179.097 176.870 -0.158 0.000 1.086 23 L CA 1.611 56.322 54.840 -0.215 0.000 0.760 23 L CB -0.797 41.002 42.059 -0.433 0.000 0.910 23 L HN 0.335 nan 8.230 nan 0.000 0.437 24 R N -0.838 119.562 120.500 -0.167 0.000 2.081 24 R HA -0.075 4.263 4.340 -0.002 0.000 0.235 24 R C 2.197 178.454 176.300 -0.071 0.000 1.131 24 R CA 1.291 57.323 56.100 -0.113 0.000 0.960 24 R CB -0.505 29.728 30.300 -0.111 0.000 0.856 24 R HN 0.457 nan 8.270 nan 0.000 0.436 25 A N 0.658 123.443 122.820 -0.058 0.000 2.015 25 A HA -0.153 4.165 4.320 -0.002 0.000 0.219 25 A C 1.837 179.400 177.584 -0.035 0.000 1.163 25 A CA 1.083 53.103 52.037 -0.028 0.000 0.646 25 A CB -0.131 18.868 19.000 -0.001 0.000 0.806 25 A HN 0.316 nan 8.150 nan 0.000 0.448 26 Q N -0.940 118.835 119.800 -0.043 0.000 2.339 26 Q HA 0.196 4.535 4.340 -0.002 0.000 0.205 26 Q C 1.719 177.668 176.000 -0.085 0.000 0.925 26 Q CA 0.438 56.197 55.803 -0.073 0.000 0.898 26 Q CB 0.003 28.723 28.738 -0.031 0.000 1.013 26 Q HN 0.631 nan 8.270 nan 0.000 0.504 27 L N 0.615 121.800 121.223 -0.064 0.000 2.395 27 L HA 0.097 4.436 4.340 -0.002 0.000 0.218 27 L C 0.913 177.758 176.870 -0.041 0.000 1.130 27 L CA -0.341 54.468 54.840 -0.052 0.000 0.826 27 L CB -0.008 42.026 42.059 -0.042 0.000 0.941 27 L HN -0.008 nan 8.230 nan 0.000 0.451 28 A N 0.480 123.273 122.820 -0.044 0.000 2.454 28 A HA 0.334 4.652 4.320 -0.002 0.000 0.260 28 A C 0.609 178.165 177.584 -0.047 0.000 1.106 28 A CA -0.165 51.853 52.037 -0.031 0.000 0.780 28 A CB 0.105 19.090 19.000 -0.025 0.000 1.044 28 A HN 0.309 nan 8.150 nan 0.000 0.498 29 S N 2.255 117.935 115.700 -0.034 0.000 2.601 29 S HA 0.448 4.917 4.470 -0.002 0.000 0.271 29 S C 1.361 175.945 174.600 -0.027 0.000 1.305 29 S CA -0.099 58.075 58.200 -0.045 0.000 1.022 29 S CB 1.266 64.440 63.200 -0.043 0.000 0.940 29 S HN 1.333 nan 8.310 nan 0.000 0.525 30 G N 0.779 109.560 108.800 -0.032 0.000 2.532 30 G HA2 -0.101 3.858 3.960 -0.002 0.000 0.222 30 G HA3 -0.101 3.858 3.960 -0.002 0.000 0.222 30 G C 0.492 175.387 174.900 -0.008 0.000 1.102 30 G CA 0.523 45.612 45.100 -0.019 0.000 0.742 30 G HN 0.720 nan 8.290 nan 0.000 0.577 31 E N -0.025 120.175 120.200 0.000 0.000 2.404 31 E HA 0.278 4.626 4.350 -0.002 0.000 0.261 31 E C -0.104 176.504 176.600 0.013 0.000 1.074 31 E CA 0.108 56.516 56.400 0.012 0.000 0.917 31 E CB 1.066 30.790 29.700 0.039 0.000 0.965 31 E HN 0.433 nan 8.360 nan 0.000 0.433 32 E N 1.504 121.708 120.200 0.006 0.000 3.554 32 E HA 0.163 4.511 4.350 -0.002 0.000 0.286 32 E C -2.520 174.078 176.600 -0.003 0.000 1.173 32 E CA -1.255 55.149 56.400 0.007 0.000 1.117 32 E CB 0.732 30.433 29.700 0.002 0.000 1.323 32 E HN 0.181 nan 8.360 nan 0.000 0.394 33 P HA -0.015 nan 4.420 nan 0.000 0.267 33 P C -0.302 177.020 177.300 0.036 0.000 1.209 33 P CA 0.504 63.575 63.100 -0.048 0.000 0.763 33 P CB 0.351 32.042 31.700 -0.014 0.000 0.816 34 H N 2.331 121.406 119.070 0.008 0.000 2.884 34 H HA -0.238 4.317 4.556 -0.001 0.000 0.289 34 H C 1.268 176.610 175.328 0.023 0.000 1.142 34 H CA 1.503 57.564 56.048 0.021 0.000 1.158 34 H CB -1.867 27.920 29.762 0.041 0.000 1.325 34 H HN 0.888 nan 8.280 nan 0.000 0.366 35 G N -0.317 108.529 108.800 0.077 0.000 2.175 35 G HA2 -0.277 3.682 3.960 -0.002 0.000 0.244 35 G HA3 -0.277 3.682 3.960 -0.002 0.000 0.244 35 G C 0.228 175.162 174.900 0.058 0.000 0.982 35 G CA 0.211 45.345 45.100 0.058 0.000 0.641 35 G HN 0.465 nan 8.290 nan 0.000 0.527 36 I N 1.650 122.261 120.570 0.069 0.000 2.404 36 I HA 0.381 4.550 4.170 -0.002 0.000 0.293 36 I C -2.307 173.832 176.117 0.036 0.000 0.992 36 I CA -2.682 58.649 61.300 0.053 0.000 1.149 36 I CB 2.072 40.109 38.000 0.062 0.000 1.315 36 I HN -0.194 nan 8.210 nan 0.000 0.446 37 P HA 0.045 nan 4.420 nan 0.000 0.268 37 P C -0.583 176.735 177.300 0.030 0.000 1.204 37 P CA 0.039 63.152 63.100 0.021 0.000 0.768 37 P CB 0.921 32.627 31.700 0.011 0.000 0.842 38 V N 4.644 124.580 119.914 0.038 0.000 2.769 38 V HA 0.437 4.556 4.120 -0.002 0.000 0.312 38 V C 0.109 176.247 176.094 0.073 0.000 1.058 38 V CA -1.046 61.289 62.300 0.058 0.000 0.952 38 V CB 1.630 33.500 31.823 0.078 0.000 1.019 38 V HN 0.431 nan 8.190 nan 0.000 0.445 39 M N 3.812 123.470 119.600 0.096 0.000 2.197 39 M HA 0.495 4.974 4.480 -0.002 0.000 0.305 39 M C 0.217 176.547 176.300 0.052 0.000 1.162 39 M CA -0.255 55.086 55.300 0.069 0.000 1.099 39 M CB 0.491 33.143 32.600 0.086 0.000 1.430 39 M HN 0.496 nan 8.290 nan 0.000 0.481 40 R N 1.194 121.666 120.500 -0.048 0.000 2.543 40 R HA 0.071 4.410 4.340 -0.002 0.000 0.277 40 R C -0.085 176.044 176.300 -0.286 0.000 1.074 40 R CA -0.173 55.832 56.100 -0.158 0.000 1.076 40 R CB 0.385 30.591 30.300 -0.156 0.000 0.993 40 R HN 0.564 nan 8.270 nan 0.000 0.459 41 E N 2.894 122.740 120.200 -0.590 0.000 2.338 41 E HA -0.040 4.309 4.350 -0.002 0.000 0.272 41 E C 0.654 177.016 176.600 -0.397 0.000 1.029 41 E CA -0.329 55.566 56.400 -0.841 0.000 0.872 41 E CB 0.967 29.743 29.700 -1.540 0.000 1.015 41 E HN 0.447 nan 8.360 nan 0.000 0.417 42 R N 2.149 122.496 120.500 -0.254 0.000 2.113 42 R HA -0.185 4.154 4.340 -0.002 0.000 0.244 42 R C 1.911 178.115 176.300 -0.160 0.000 1.142 42 R CA 2.189 58.186 56.100 -0.172 0.000 0.953 42 R CB -0.348 29.886 30.300 -0.111 0.000 0.860 42 R HN 0.708 nan 8.270 nan 0.000 0.438 43 S N -1.450 114.156 115.700 -0.156 0.000 2.653 43 S HA -0.034 4.435 4.470 -0.002 0.000 0.233 43 S C 1.242 175.763 174.600 -0.133 0.000 0.970 43 S CA 1.149 59.278 58.200 -0.119 0.000 0.947 43 S CB 0.364 63.511 63.200 -0.089 0.000 0.771 43 S HN 0.250 nan 8.310 nan 0.000 0.538 44 T N 0.917 115.366 114.554 -0.175 0.000 2.969 44 T HA 0.291 4.640 4.350 -0.002 0.000 0.250 44 T C 0.161 174.778 174.700 -0.137 0.000 1.021 44 T CA -0.026 61.976 62.100 -0.163 0.000 1.003 44 T CB 0.326 69.062 68.868 -0.220 0.000 1.040 44 T HN 0.243 nan 8.240 nan 0.000 0.492 45 V N 5.433 125.259 119.914 -0.147 0.000 2.385 45 V HA 0.330 4.449 4.120 -0.002 0.000 0.269 45 V C -2.177 173.851 176.094 -0.109 0.000 1.043 45 V CA -2.093 60.124 62.300 -0.138 0.000 0.906 45 V CB 0.894 32.614 31.823 -0.172 0.000 0.995 45 V HN 0.215 nan 8.190 nan 0.000 0.467 46 P HA 0.200 nan 4.420 nan 0.000 0.271 46 P C 0.223 177.492 177.300 -0.053 0.000 1.216 46 P CA -0.207 62.860 63.100 -0.056 0.000 0.771 46 P CB 1.007 32.685 31.700 -0.037 0.000 0.864 47 D N 1.059 121.442 120.400 -0.028 0.000 2.263 47 D HA -0.229 4.409 4.640 -0.002 0.000 0.193 47 D C 1.891 178.224 176.300 0.054 0.000 1.013 47 D CA 2.110 56.117 54.000 0.013 0.000 0.892 47 D CB -0.426 40.404 40.800 0.051 0.000 0.909 47 D HN 0.415 nan 8.370 nan 0.000 0.449 48 S N -0.789 114.935 115.700 0.041 0.000 2.423 48 S HA -0.102 4.366 4.470 -0.002 0.000 0.231 48 S C 1.243 175.880 174.600 0.062 0.000 1.014 48 S CA 0.893 59.132 58.200 0.064 0.000 0.965 48 S CB 0.074 63.299 63.200 0.042 0.000 0.785 48 S HN 0.156 nan 8.310 nan 0.000 0.495 49 K N 0.078 120.481 120.400 0.005 0.000 2.618 49 K HA 0.280 4.599 4.320 -0.002 0.000 0.207 49 K C 0.966 177.508 176.600 -0.097 0.000 1.058 49 K CA -0.209 56.067 56.287 -0.019 0.000 1.086 49 K CB 0.549 33.024 32.500 -0.041 0.000 0.827 49 K HN 0.075 nan 8.250 nan 0.000 0.481 50 R N 0.293 120.687 120.500 -0.177 0.000 2.317 50 R HA 0.185 4.523 4.340 -0.002 0.000 0.208 50 R C -0.787 175.015 176.300 -0.830 0.000 0.914 50 R CA 0.513 56.303 56.100 -0.517 0.000 1.060 50 R CB 0.221 30.135 30.300 -0.643 0.000 1.015 50 R HN -0.087 nan 8.270 nan 0.000 0.498 51 F N -0.673 119.284 119.950 0.012 0.000 2.578 51 F HA 0.484 5.010 4.527 -0.001 0.000 0.311 51 F C -0.401 175.416 175.800 0.029 0.000 1.094 51 F CA -1.151 56.863 58.000 0.024 0.000 0.923 51 F CB 1.647 40.669 39.000 0.036 0.000 1.230 51 F HN -0.310 nan 8.300 nan 0.000 0.450 52 I N 3.531 124.237 120.570 0.226 0.000 2.404 52 I HA 0.385 4.554 4.170 -0.002 0.000 0.293 52 I C -0.920 175.301 176.117 0.173 0.000 0.992 52 I CA -0.680 60.716 61.300 0.161 0.000 1.149 52 I CB 1.678 39.739 38.000 0.101 0.000 1.315 52 I HN 0.350 nan 8.210 nan 0.000 0.446 53 L N 6.760 128.072 121.223 0.149 0.000 2.276 53 L HA 0.428 4.766 4.340 -0.002 0.000 0.286 53 L C -0.580 176.378 176.870 0.146 0.000 1.061 53 L CA -0.708 54.210 54.840 0.130 0.000 0.807 53 L CB 1.215 43.338 42.059 0.107 0.000 1.177 53 L HN 0.281 nan 8.230 nan 0.000 0.429 54 V N 3.212 123.221 119.914 0.158 0.000 2.313 54 V HA 0.189 4.308 4.120 -0.002 0.000 0.278 54 V C 0.113 176.300 176.094 0.154 0.000 1.017 54 V CA -0.554 61.864 62.300 0.198 0.000 0.823 54 V CB 1.299 33.273 31.823 0.251 0.000 1.010 54 V HN 0.699 nan 8.190 nan 0.000 0.443 55 E N 4.983 125.257 120.200 0.123 0.000 1.996 55 E HA 0.421 4.769 4.350 -0.002 0.000 0.280 55 E C -0.918 175.691 176.600 0.014 0.000 1.092 55 E CA -0.242 56.202 56.400 0.073 0.000 0.862 55 E CB 0.616 30.352 29.700 0.059 0.000 1.066 55 E HN 0.591 nan 8.360 nan 0.000 0.396 56 L N 2.856 124.090 121.223 0.017 0.000 2.325 56 L HA 0.495 4.834 4.340 -0.002 0.000 0.279 56 L C -0.027 176.793 176.870 -0.083 0.000 1.054 56 L CA -0.409 54.412 54.840 -0.032 0.000 0.804 56 L CB 1.620 43.690 42.059 0.017 0.000 1.200 56 L HN 0.484 nan 8.230 nan 0.000 0.436 57 S N 1.752 117.344 115.700 -0.180 0.000 2.776 57 S HA 0.742 5.210 4.470 -0.002 0.000 0.292 57 S C -1.328 173.062 174.600 -0.350 0.000 1.187 57 S CA -1.029 57.022 58.200 -0.250 0.000 0.834 57 S CB 2.224 65.260 63.200 -0.273 0.000 1.199 57 S HN 0.621 nan 8.310 nan 0.000 0.514 58 N N -1.434 117.001 118.700 -0.441 0.000 6.624 58 N HA 0.082 4.821 4.740 -0.002 0.000 0.116 58 N C -1.343 173.902 175.510 -0.441 0.000 0.954 58 N CA -0.316 52.507 53.050 -0.378 0.000 1.155 58 N CB -0.290 38.028 38.487 -0.283 0.000 1.396 58 N HN 0.723 nan 8.380 nan 0.000 1.009 59 W N 1.624 122.825 121.300 -0.165 0.000 2.560 59 W HA 0.344 5.003 4.660 -0.001 0.000 0.303 59 W C 1.666 178.075 176.519 -0.184 0.000 1.151 59 W CA 0.563 57.818 57.345 -0.150 0.000 1.426 59 W CB -0.012 29.380 29.460 -0.114 0.000 1.135 59 W HN 0.661 nan 8.180 nan 0.000 0.522 60 A N 1.234 124.086 122.820 0.054 0.000 3.004 60 A HA 0.496 4.815 4.320 -0.002 0.000 0.252 60 A C 0.418 177.766 177.584 -0.394 0.000 1.802 60 A CA 0.468 52.438 52.037 -0.111 0.000 1.424 60 A CB -1.533 17.424 19.000 -0.073 0.000 1.005 60 A HN 0.112 nan 8.150 nan 0.000 0.631 61 A N -0.373 122.216 122.820 -0.384 0.000 2.257 61 A HA 0.633 4.951 4.320 -0.002 0.000 0.290 61 A C 0.687 177.883 177.584 -0.647 0.000 1.201 61 A CA 0.423 52.108 52.037 -0.587 0.000 0.863 61 A CB 0.663 19.468 19.000 -0.325 0.000 1.256 61 A HN 0.492 nan 8.150 nan 0.000 0.506 62 D N -3.085 117.029 120.400 -0.477 0.000 1.921 62 D HA 0.084 4.722 4.640 -0.002 0.000 0.470 62 D C -0.092 176.231 176.300 0.039 0.000 0.957 62 D CA 0.938 54.892 54.000 -0.077 0.000 0.974 62 D CB 0.358 41.215 40.800 0.097 0.000 1.682 62 D HN 0.692 nan 8.370 nan 0.000 0.528 63 S N -0.057 115.744 115.700 0.168 0.000 2.599 63 S HA 0.867 5.336 4.470 -0.002 0.000 0.287 63 S C -2.887 171.836 174.600 0.206 0.000 1.105 63 S CA -1.218 57.090 58.200 0.180 0.000 0.899 63 S CB 2.286 65.616 63.200 0.217 0.000 1.100 63 S HN -0.084 nan 8.310 nan 0.000 0.482 64 P HA 0.480 nan 4.420 nan 0.000 0.280 64 P C -0.992 176.438 177.300 0.217 0.000 1.272 64 P CA -0.835 62.324 63.100 0.099 0.000 0.819 64 P CB 0.469 32.187 31.700 0.030 0.000 1.122 65 V N 0.767 120.797 119.914 0.192 0.000 2.432 65 V HA 0.261 4.380 4.120 -0.002 0.000 0.271 65 V C 0.321 176.518 176.094 0.171 0.000 1.046 65 V CA 0.092 62.528 62.300 0.227 0.000 0.945 65 V CB 0.231 32.148 31.823 0.158 0.000 0.992 65 V HN 0.519 nan 8.190 nan 0.000 0.471 66 T N 6.888 121.562 114.554 0.200 0.000 2.758 66 T HA 0.641 4.990 4.350 -0.002 0.000 0.285 66 T C -0.234 174.579 174.700 0.187 0.000 0.981 66 T CA -0.381 61.816 62.100 0.161 0.000 0.965 66 T CB 0.863 69.808 68.868 0.129 0.000 0.927 66 T HN 0.389 nan 8.240 nan 0.000 0.448 67 L N 2.137 123.459 121.223 0.165 0.000 2.325 67 L HA 0.740 5.079 4.340 -0.002 0.000 0.279 67 L C 0.522 177.457 176.870 0.109 0.000 1.054 67 L CA -1.209 53.731 54.840 0.166 0.000 0.804 67 L CB 0.847 42.999 42.059 0.154 0.000 1.200 67 L HN 0.641 nan 8.230 nan 0.000 0.436 68 A N 3.285 126.132 122.820 0.045 0.000 2.252 68 A HA 0.627 4.945 4.320 -0.002 0.000 0.309 68 A C -0.365 177.302 177.584 0.139 0.000 1.285 68 A CA -0.429 51.618 52.037 0.017 0.000 0.900 68 A CB 0.511 19.378 19.000 -0.222 0.000 1.157 68 A HN 0.441 nan 8.150 nan 0.000 0.536 69 V N 3.355 123.401 119.914 0.221 0.000 2.398 69 V HA 0.210 4.329 4.120 -0.002 0.000 0.286 69 V C -0.092 176.167 176.094 0.274 0.000 1.026 69 V CA -0.743 61.688 62.300 0.218 0.000 0.868 69 V CB 1.601 33.510 31.823 0.144 0.000 0.982 69 V HN 0.911 nan 8.190 nan 0.000 0.443 70 D N 3.424 123.958 120.400 0.223 0.000 2.348 70 D HA 0.136 4.775 4.640 -0.002 0.000 0.253 70 D C 0.876 177.153 176.300 -0.038 0.000 1.161 70 D CA -0.154 53.881 54.000 0.058 0.000 0.876 70 D CB 2.002 42.839 40.800 0.061 0.000 1.160 70 D HN 0.281 nan 8.370 nan 0.000 0.459 71 V N 3.253 123.087 119.914 -0.132 0.000 3.444 71 V HA -0.079 4.040 4.120 -0.002 0.000 0.271 71 V C 2.148 178.190 176.094 -0.086 0.000 1.188 71 V CA 1.016 63.258 62.300 -0.096 0.000 1.168 71 V CB -0.517 31.230 31.823 -0.127 0.000 0.810 71 V HN 0.572 nan 8.190 nan 0.000 0.500 72 T N 1.562 116.049 114.554 -0.112 0.000 3.051 72 T HA 0.036 4.384 4.350 -0.002 0.000 0.255 72 T C 1.322 175.997 174.700 -0.041 0.000 1.085 72 T CA 1.294 63.335 62.100 -0.099 0.000 1.109 72 T CB -0.064 68.714 68.868 -0.151 0.000 0.921 72 T HN 0.805 nan 8.240 nan 0.000 0.488 73 N N -0.565 118.101 118.700 -0.057 0.000 1.938 73 N HA 0.342 5.080 4.740 -0.002 0.000 0.225 73 N C 0.611 176.179 175.510 0.097 0.000 1.400 73 N CA 0.558 53.624 53.050 0.028 0.000 0.772 73 N CB -0.076 38.166 38.487 -0.409 0.000 1.124 73 N HN 0.156 nan 8.380 nan 0.000 0.513 74 A N -0.940 121.913 122.820 0.053 0.000 2.899 74 A HA -0.242 4.077 4.320 -0.002 0.000 0.257 74 A C -0.593 177.105 177.584 0.190 0.000 1.335 74 A CA 0.551 52.623 52.037 0.059 0.000 0.924 74 A CB -2.820 16.135 19.000 -0.075 0.000 1.105 74 A HN 0.369 nan 8.150 nan 0.000 0.765 75 Y N -0.863 119.452 120.300 0.025 0.000 2.411 75 Y HA 0.365 4.914 4.550 -0.001 0.000 0.333 75 Y C 0.966 176.903 175.900 0.061 0.000 1.186 75 Y CA -0.465 57.655 58.100 0.034 0.000 1.381 75 Y CB 0.665 39.165 38.460 0.067 0.000 1.273 75 Y HN 0.140 nan 8.280 nan 0.000 0.546 76 V N 5.610 125.631 119.914 0.177 0.000 2.356 76 V HA 0.030 4.149 4.120 -0.002 0.000 0.258 76 V C 0.924 177.105 176.094 0.145 0.000 1.065 76 V CA -0.095 62.292 62.300 0.146 0.000 0.935 76 V CB 0.215 32.102 31.823 0.107 0.000 1.061 76 V HN 0.791 nan 8.190 nan 0.000 0.484 77 V N 2.495 122.492 119.914 0.140 0.000 3.052 77 V HA 0.625 4.744 4.120 -0.002 0.000 0.254 77 V C 0.749 176.781 176.094 -0.103 0.000 1.100 77 V CA 1.012 63.372 62.300 0.100 0.000 1.112 77 V CB -0.176 31.753 31.823 0.177 0.000 0.738 77 V HN 0.821 nan 8.190 nan 0.000 0.469 78 A N -0.269 122.428 122.820 -0.205 0.000 2.586 78 A HA 0.841 5.159 4.320 -0.002 0.000 0.290 78 A C -1.383 176.140 177.584 -0.101 0.000 1.086 78 A CA -0.313 51.427 52.037 -0.496 0.000 0.665 78 A CB 1.231 19.311 19.000 -1.533 0.000 1.279 78 A HN 1.252 nan 8.150 nan 0.000 0.423 79 Y N -0.998 119.231 120.300 -0.118 0.000 2.581 79 Y HA 0.859 5.407 4.550 -0.002 0.000 0.337 79 Y C -0.803 175.163 175.900 0.110 0.000 1.108 79 Y CA -1.115 56.997 58.100 0.021 0.000 1.033 79 Y CB 1.250 39.766 38.460 0.093 0.000 1.318 79 Y HN 0.633 nan 8.280 nan 0.000 0.459 80 R N 1.472 122.128 120.500 0.260 0.000 2.514 80 R HA 0.534 4.872 4.340 -0.002 0.000 0.301 80 R C -1.249 175.233 176.300 0.304 0.000 0.962 80 R CA -0.632 55.585 56.100 0.195 0.000 0.882 80 R CB 1.903 32.278 30.300 0.125 0.000 1.143 80 R HN 0.925 nan 8.270 nan 0.000 0.452 81 T N 1.835 116.544 114.554 0.258 0.000 3.135 81 T HA 0.417 4.766 4.350 -0.002 0.000 0.357 81 T C 0.409 175.154 174.700 0.075 0.000 1.112 81 T CA 0.588 62.803 62.100 0.192 0.000 1.290 81 T CB 0.006 68.970 68.868 0.159 0.000 1.018 81 T HN 0.887 nan 8.240 nan 0.000 0.527 82 G N 3.086 111.936 108.800 0.083 0.000 2.536 82 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.280 82 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.280 82 G C 1.157 176.070 174.900 0.023 0.000 1.152 82 G CA 0.468 45.593 45.100 0.042 0.000 0.970 82 G HN 0.719 nan 8.290 nan 0.000 0.549 83 S N 1.261 116.956 115.700 -0.008 0.000 2.489 83 S HA 0.115 4.584 4.470 -0.002 0.000 0.228 83 S C 1.006 175.570 174.600 -0.060 0.000 0.995 83 S CA 1.463 59.646 58.200 -0.029 0.000 0.934 83 S CB -0.210 62.967 63.200 -0.039 0.000 0.771 83 S HN 0.491 nan 8.310 nan 0.000 0.522 84 Q N 1.756 121.520 119.800 -0.061 0.000 2.256 84 Q HA 0.371 4.710 4.340 -0.002 0.000 0.254 84 Q C -0.455 175.435 176.000 -0.183 0.000 0.916 84 Q CA -0.224 55.475 55.803 -0.174 0.000 0.932 84 Q CB 1.583 30.274 28.738 -0.079 0.000 1.207 84 Q HN 0.352 nan 8.270 nan 0.000 0.426 85 S N 1.706 117.191 115.700 -0.358 0.000 2.500 85 S HA 0.755 5.224 4.470 -0.002 0.000 0.301 85 S C -0.887 173.429 174.600 -0.473 0.000 1.092 85 S CA -0.703 57.364 58.200 -0.222 0.000 1.030 85 S CB 0.697 63.925 63.200 0.048 0.000 1.031 85 S HN 0.396 nan 8.310 nan 0.000 0.483 86 F N 2.076 121.796 119.950 -0.384 0.000 2.493 86 F HA 0.612 5.138 4.527 -0.002 0.000 0.329 86 F C -0.426 175.175 175.800 -0.332 0.000 1.126 86 F CA -0.872 56.861 58.000 -0.444 0.000 0.937 86 F CB 1.305 39.835 39.000 -0.784 0.000 1.146 86 F HN 0.554 nan 8.300 nan 0.000 0.442 87 F N 2.623 122.439 119.950 -0.223 0.000 2.523 87 F HA 0.638 5.163 4.527 -0.003 0.000 0.329 87 F C -0.390 175.415 175.800 0.008 0.000 1.061 87 F CA -1.026 56.919 58.000 -0.091 0.000 0.967 87 F CB 1.619 40.529 39.000 -0.151 0.000 1.218 87 F HN 0.148 nan 8.300 nan 0.000 0.480 88 L N 2.576 123.936 121.223 0.229 0.000 2.307 88 L HA 0.438 4.777 4.340 -0.002 0.000 0.282 88 L C 0.405 177.339 176.870 0.108 0.000 1.051 88 L CA -0.603 54.340 54.840 0.171 0.000 0.804 88 L CB 1.191 43.350 42.059 0.166 0.000 1.197 88 L HN 0.534 nan 8.230 nan 0.000 0.431 89 R N 2.644 123.157 120.500 0.022 0.000 2.756 89 R HA 0.116 4.455 4.340 -0.002 0.000 0.264 89 R C -0.695 175.646 176.300 0.068 0.000 1.026 89 R CA 0.115 56.226 56.100 0.020 0.000 1.121 89 R CB 0.531 30.828 30.300 -0.005 0.000 0.999 89 R HN 0.748 nan 8.270 nan 0.000 0.449 90 E N 1.672 121.913 120.200 0.067 0.000 2.314 90 E HA 0.172 4.521 4.350 -0.002 0.000 0.272 90 E C -0.810 175.835 176.600 0.075 0.000 0.884 90 E CA -0.945 55.510 56.400 0.092 0.000 0.753 90 E CB 1.636 31.407 29.700 0.118 0.000 1.213 90 E HN 0.450 nan 8.360 nan 0.000 0.432 91 D N 1.046 121.497 120.400 0.085 0.000 2.310 91 D HA -0.043 4.596 4.640 -0.002 0.000 0.212 91 D C -0.281 176.056 176.300 0.060 0.000 0.965 91 D CA 0.862 54.904 54.000 0.071 0.000 0.879 91 D CB 0.051 40.900 40.800 0.080 0.000 0.921 91 D HN 0.325 nan 8.370 nan 0.000 0.510 92 N N 1.118 119.857 118.700 0.065 0.000 2.710 92 N HA 0.124 4.862 4.740 -0.002 0.000 0.244 92 N C -2.747 172.794 175.510 0.052 0.000 1.321 92 N CA -0.784 52.298 53.050 0.053 0.000 0.758 92 N CB 2.033 40.551 38.487 0.053 0.000 1.284 92 N HN -0.132 nan 8.380 nan 0.000 0.530 93 P HA -0.104 nan 4.420 nan 0.000 0.255 93 P C -0.297 177.029 177.300 0.043 0.000 1.151 93 P CA 0.771 63.892 63.100 0.035 0.000 0.767 93 P CB 0.613 32.320 31.700 0.011 0.000 0.736 94 D N 4.748 125.187 120.400 0.065 0.000 2.225 94 D HA 0.124 4.762 4.640 -0.002 0.000 0.248 94 D C -1.405 174.937 176.300 0.069 0.000 1.096 94 D CA -2.150 51.893 54.000 0.071 0.000 0.863 94 D CB 1.389 42.254 40.800 0.108 0.000 1.156 94 D HN 0.062 nan 8.370 nan 0.000 0.450 95 P HA -0.136 nan 4.420 nan 0.000 0.216 95 P C 0.869 178.220 177.300 0.086 0.000 1.150 95 P CA 1.275 64.404 63.100 0.047 0.000 0.843 95 P CB 0.245 31.964 31.700 0.032 0.000 0.787 96 A N -0.507 122.387 122.820 0.125 0.000 1.855 96 A HA -0.154 4.165 4.320 -0.002 0.000 0.215 96 A C 2.234 180.036 177.584 0.362 0.000 1.191 96 A CA 1.459 53.636 52.037 0.233 0.000 0.613 96 A CB -1.569 17.542 19.000 0.184 0.000 0.829 96 A HN 0.102 nan 8.150 nan 0.000 0.442 97 I N -0.431 120.360 120.570 0.370 0.000 2.264 97 I HA -0.157 4.012 4.170 -0.002 0.000 0.248 97 I C 1.277 177.520 176.117 0.210 0.000 1.111 97 I CA 0.994 62.507 61.300 0.355 0.000 1.382 97 I CB -0.053 38.147 38.000 0.333 0.000 1.060 97 I HN 0.312 nan 8.210 nan 0.000 0.418 98 E N 1.656 121.913 120.200 0.094 0.000 2.079 98 E HA 0.145 4.493 4.350 -0.002 0.000 0.252 98 E C -0.718 175.871 176.600 -0.019 0.000 0.992 98 E CA 0.058 56.436 56.400 -0.037 0.000 0.829 98 E CB 0.015 29.683 29.700 -0.053 0.000 1.158 98 E HN 0.329 nan 8.360 nan 0.000 0.435 99 N N 3.085 121.767 118.700 -0.030 0.000 3.954 99 N HA -0.124 4.614 4.740 -0.002 0.000 0.170 99 N C -0.125 175.397 175.510 0.020 0.000 0.919 99 N CA 0.074 53.120 53.050 -0.005 0.000 2.636 99 N CB -0.601 37.905 38.487 0.031 0.000 1.238 99 N HN 0.377 nan 8.380 nan 0.000 0.747 100 L N 0.052 121.284 121.223 0.016 0.000 2.347 100 L HA 0.553 4.892 4.340 -0.002 0.000 0.196 100 L C -0.152 176.705 176.870 -0.022 0.000 1.072 100 L CA 1.431 56.246 54.840 -0.042 0.000 0.817 100 L CB 0.261 42.219 42.059 -0.169 0.000 1.029 100 L HN 0.165 nan 8.230 nan 0.000 0.478 101 L N 2.826 124.098 121.223 0.082 0.000 2.426 101 L HA 0.429 4.768 4.340 -0.002 0.000 0.255 101 L C -2.243 174.633 176.870 0.012 0.000 1.080 101 L CA -1.748 53.120 54.840 0.047 0.000 0.960 101 L CB 0.623 42.734 42.059 0.088 0.000 1.326 101 L HN 0.132 nan 8.230 nan 0.000 0.441 102 P HA 0.219 nan 4.420 nan 0.000 0.276 102 P C -0.781 176.505 177.300 -0.024 0.000 1.252 102 P CA -0.189 62.894 63.100 -0.028 0.000 0.802 102 P CB 0.515 32.202 31.700 -0.022 0.000 1.035 103 D N -2.663 117.716 120.400 -0.034 0.000 2.778 103 D HA -0.110 4.529 4.640 -0.002 0.000 0.246 103 D C -0.366 175.913 176.300 -0.034 0.000 1.107 103 D CA 1.100 55.083 54.000 -0.030 0.000 0.732 103 D CB -2.208 38.582 40.800 -0.016 0.000 1.055 103 D HN 0.493 nan 8.370 nan 0.000 0.429 104 T N -1.561 112.961 114.554 -0.053 0.000 2.831 104 T HA 0.173 4.522 4.350 -0.002 0.000 0.333 104 T C 0.791 175.428 174.700 -0.106 0.000 1.684 104 T CA -0.253 61.808 62.100 -0.065 0.000 1.049 104 T CB 2.097 70.941 68.868 -0.040 0.000 1.518 104 T HN 0.137 nan 8.240 nan 0.000 0.491 105 K N 1.373 121.688 120.400 -0.143 0.000 2.015 105 K HA -0.096 4.223 4.320 -0.002 0.000 0.220 105 K C 0.075 176.550 176.600 -0.210 0.000 1.055 105 K CA 1.843 58.013 56.287 -0.196 0.000 0.951 105 K CB -0.163 32.150 32.500 -0.311 0.000 0.725 105 K HN 0.635 nan 8.250 nan 0.000 0.449 106 R N -0.252 120.103 120.500 -0.242 0.000 2.080 106 R HA -0.228 4.111 4.340 -0.002 0.000 0.362 106 R C -1.481 174.664 176.300 -0.258 0.000 1.156 106 R CA 0.777 56.705 56.100 -0.287 0.000 0.964 106 R CB -1.529 28.572 30.300 -0.332 0.000 2.865 106 R HN 0.483 nan 8.270 nan 0.000 0.490 107 Y N 1.138 121.163 120.300 -0.459 0.000 2.446 107 Y HA 0.528 5.076 4.550 -0.002 0.000 0.345 107 Y C -0.301 175.365 175.900 -0.391 0.000 0.984 107 Y CA -0.339 57.504 58.100 -0.428 0.000 1.058 107 Y CB 2.206 40.341 38.460 -0.541 0.000 1.220 107 Y HN 0.358 nan 8.280 nan 0.000 0.455 108 T N 6.056 120.004 114.554 -1.011 0.000 2.886 108 T HA 0.518 4.866 4.350 -0.002 0.000 0.292 108 T C -0.985 173.187 174.700 -0.881 0.000 1.012 108 T CA -0.437 61.240 62.100 -0.706 0.000 0.982 108 T CB 0.180 68.826 68.868 -0.370 0.000 1.018 108 T HN 0.489 nan 8.240 nan 0.000 0.451 109 F N 4.668 124.367 119.950 -0.419 0.000 2.444 109 F HA 0.318 4.843 4.527 -0.002 0.000 0.331 109 F C -0.649 174.908 175.800 -0.406 0.000 1.167 109 F CA -1.930 55.792 58.000 -0.464 0.000 1.262 109 F CB 0.879 39.270 39.000 -1.015 0.000 1.196 109 F HN 0.470 nan 8.300 nan 0.000 0.583 110 P HA -0.025 nan 4.420 nan 0.000 0.245 110 P C -0.818 176.577 177.300 0.158 0.000 1.212 110 P CA 0.792 63.948 63.100 0.093 0.000 0.774 110 P CB -0.445 31.379 31.700 0.207 0.000 0.999 111 F N -1.331 118.711 119.950 0.154 0.000 2.593 111 F HA 0.710 5.236 4.527 -0.002 0.000 0.320 111 F C 0.339 176.204 175.800 0.108 0.000 1.060 111 F CA -1.697 56.361 58.000 0.097 0.000 0.940 111 F CB 0.447 39.476 39.000 0.049 0.000 1.268 111 F HN -0.273 nan 8.300 nan 0.000 0.475 112 S N -0.077 115.780 115.700 0.262 0.000 2.681 112 S HA 0.517 4.986 4.470 -0.002 0.000 0.270 112 S C 1.040 175.748 174.600 0.181 0.000 1.209 112 S CA -0.191 58.104 58.200 0.158 0.000 0.988 112 S CB 0.952 64.216 63.200 0.107 0.000 1.006 112 S HN 1.232 nan 8.310 nan 0.000 0.558 113 G N 0.485 109.321 108.800 0.060 0.000 2.679 113 G HA2 0.108 4.067 3.960 -0.002 0.000 0.212 113 G HA3 0.108 4.067 3.960 -0.002 0.000 0.212 113 G C 0.673 175.444 174.900 -0.215 0.000 1.137 113 G CA 0.363 45.433 45.100 -0.050 0.000 0.787 113 G HN 1.054 nan 8.290 nan 0.000 0.534 114 S N -1.086 114.520 115.700 -0.158 0.000 2.584 114 S HA 0.205 4.674 4.470 -0.002 0.000 0.270 114 S C 0.933 175.449 174.600 -0.140 0.000 1.346 114 S CA -0.480 57.599 58.200 -0.202 0.000 1.018 114 S CB 0.630 63.801 63.200 -0.048 0.000 0.899 114 S HN 0.311 nan 8.310 nan 0.000 0.542 115 Y N 1.197 121.487 120.300 -0.015 0.000 2.200 115 Y HA -0.111 4.438 4.550 -0.002 0.000 0.290 115 Y C 3.072 178.962 175.900 -0.016 0.000 1.137 115 Y CA 1.349 59.438 58.100 -0.018 0.000 1.163 115 Y CB -0.887 37.568 38.460 -0.010 0.000 0.988 115 Y HN 0.700 nan 8.280 nan 0.000 0.518 116 T N -0.249 114.404 114.554 0.165 0.000 2.665 116 T HA -0.234 4.115 4.350 -0.002 0.000 0.268 116 T C 1.256 175.990 174.700 0.056 0.000 1.035 116 T CA 1.796 63.952 62.100 0.092 0.000 1.151 116 T CB -0.422 68.494 68.868 0.079 0.000 0.862 116 T HN 0.303 nan 8.240 nan 0.000 0.438 117 D N 0.819 121.256 120.400 0.061 0.000 2.084 117 D HA 0.014 4.653 4.640 -0.002 0.000 0.194 117 D C 2.242 178.516 176.300 -0.043 0.000 0.990 117 D CA 0.761 54.793 54.000 0.054 0.000 0.826 117 D CB -0.479 40.405 40.800 0.141 0.000 0.971 117 D HN 0.266 nan 8.370 nan 0.000 0.453 118 L N 0.760 121.965 121.223 -0.031 0.000 2.012 118 L HA -0.187 4.151 4.340 -0.002 0.000 0.210 118 L C 2.375 179.166 176.870 -0.131 0.000 1.073 118 L CA 1.290 56.050 54.840 -0.132 0.000 0.748 118 L CB -0.311 41.742 42.059 -0.010 0.000 0.891 118 L HN 0.045 nan 8.230 nan 0.000 0.431 119 E N -0.476 119.706 120.200 -0.030 0.000 2.110 119 E HA -0.272 4.077 4.350 -0.002 0.000 0.193 119 E C 2.183 178.739 176.600 -0.073 0.000 0.988 119 E CA 1.163 57.538 56.400 -0.043 0.000 0.804 119 E CB -0.030 29.665 29.700 -0.009 0.000 0.745 119 E HN 0.314 nan 8.360 nan 0.000 0.458 120 R N 0.656 121.115 120.500 -0.068 0.000 2.073 120 R HA -0.127 4.212 4.340 -0.002 0.000 0.234 120 R C 2.091 178.324 176.300 -0.111 0.000 1.134 120 R CA 1.435 57.496 56.100 -0.065 0.000 0.952 120 R CB -0.452 29.831 30.300 -0.030 0.000 0.850 120 R HN -0.013 nan 8.270 nan 0.000 0.433 121 V N 1.220 121.010 119.914 -0.206 0.000 2.427 121 V HA -0.148 3.971 4.120 -0.002 0.000 0.248 121 V C 2.482 178.431 176.094 -0.243 0.000 1.051 121 V CA 1.825 63.948 62.300 -0.294 0.000 1.048 121 V CB -0.760 30.649 31.823 -0.690 0.000 0.666 121 V HN 0.608 nan 8.190 nan 0.000 0.456 122 A N -0.327 122.353 122.820 -0.232 0.000 1.969 122 A HA 0.162 4.481 4.320 -0.002 0.000 0.218 122 A C 2.166 179.686 177.584 -0.106 0.000 1.169 122 A CA 1.530 53.469 52.037 -0.164 0.000 0.635 122 A CB -0.819 18.096 19.000 -0.142 0.000 0.810 122 A HN 1.333 nan 8.150 nan 0.000 0.445 123 G N -0.739 108.007 108.800 -0.090 0.000 2.143 123 G HA2 -0.235 3.724 3.960 -0.002 0.000 0.248 123 G HA3 -0.235 3.724 3.960 -0.002 0.000 0.248 123 G C -0.168 174.700 174.900 -0.054 0.000 0.991 123 G CA 0.691 45.754 45.100 -0.062 0.000 0.689 123 G HN 1.153 nan 8.290 nan 0.000 0.522 124 E N -1.414 118.749 120.200 -0.061 0.000 2.430 124 E HA 0.669 5.017 4.350 -0.002 0.000 0.279 124 E C -0.277 176.287 176.600 -0.061 0.000 1.003 124 E CA -1.410 54.956 56.400 -0.057 0.000 0.801 124 E CB 1.167 30.832 29.700 -0.059 0.000 1.313 124 E HN 0.259 nan 8.360 nan 0.000 0.459 125 R N 0.290 120.753 120.500 -0.062 0.000 2.553 125 R HA 0.418 4.757 4.340 -0.002 0.000 0.263 125 R C 1.268 177.508 176.300 -0.100 0.000 1.066 125 R CA -0.661 55.395 56.100 -0.074 0.000 1.135 125 R CB 0.802 31.062 30.300 -0.067 0.000 1.148 125 R HN 0.472 nan 8.270 nan 0.000 0.558 126 R N 1.366 121.782 120.500 -0.140 0.000 2.105 126 R HA -0.196 4.142 4.340 -0.002 0.000 0.239 126 R C 1.683 177.896 176.300 -0.146 0.000 1.135 126 R CA 2.084 58.075 56.100 -0.182 0.000 0.967 126 R CB -0.193 29.923 30.300 -0.307 0.000 0.861 126 R HN 0.732 nan 8.270 nan 0.000 0.442 127 E N 0.749 120.879 120.200 -0.117 0.000 2.516 127 E HA -0.143 4.206 4.350 -0.002 0.000 0.199 127 E C 0.736 177.289 176.600 -0.079 0.000 1.069 127 E CA 0.841 57.188 56.400 -0.089 0.000 0.876 127 E CB 0.094 29.753 29.700 -0.069 0.000 0.843 127 E HN 0.501 nan 8.360 nan 0.000 0.530 128 E N 0.552 120.702 120.200 -0.085 0.000 2.447 128 E HA 0.203 4.552 4.350 -0.002 0.000 0.204 128 E C 0.220 176.767 176.600 -0.088 0.000 0.977 128 E CA -0.168 56.188 56.400 -0.074 0.000 0.950 128 E CB 0.584 30.246 29.700 -0.063 0.000 0.975 128 E HN 0.244 nan 8.360 nan 0.000 0.496 129 I N 3.014 123.518 120.570 -0.109 0.000 2.325 129 I HA 0.039 4.208 4.170 -0.002 0.000 0.291 129 I C -0.076 175.936 176.117 -0.175 0.000 1.019 129 I CA -0.623 60.602 61.300 -0.124 0.000 1.302 129 I CB 0.773 38.703 38.000 -0.118 0.000 1.401 129 I HN -0.043 nan 8.210 nan 0.000 0.485 130 L N 7.363 128.486 121.223 -0.166 0.000 2.453 130 L HA 0.239 4.577 4.340 -0.002 0.000 0.272 130 L C 0.070 176.752 176.870 -0.312 0.000 1.182 130 L CA 0.501 55.207 54.840 -0.224 0.000 0.858 130 L CB 0.031 42.003 42.059 -0.144 0.000 1.120 130 L HN 0.495 nan 8.230 nan 0.000 0.474 131 L N 2.035 122.916 121.223 -0.570 0.000 2.330 131 L HA 0.912 5.251 4.340 -0.002 0.000 0.271 131 L C 0.438 177.042 176.870 -0.444 0.000 1.013 131 L CA -0.402 54.066 54.840 -0.620 0.000 0.816 131 L CB 2.039 43.506 42.059 -0.987 0.000 1.287 131 L HN 0.813 nan 8.230 nan 0.000 0.435 132 G N 0.794 109.501 108.800 -0.155 0.000 2.362 132 G HA2 0.095 4.053 3.960 -0.002 0.000 0.288 132 G HA3 0.095 4.053 3.960 -0.002 0.000 0.288 132 G C -0.277 174.618 174.900 -0.007 0.000 1.305 132 G CA -0.655 44.444 45.100 -0.002 0.000 0.910 132 G HN 0.277 nan 8.290 nan 0.000 0.518 133 M N -0.048 119.559 119.600 0.012 0.000 2.077 133 M HA 0.087 4.566 4.480 -0.002 0.000 0.261 133 M C 1.999 178.314 176.300 0.026 0.000 1.070 133 M CA 1.842 57.158 55.300 0.027 0.000 1.125 133 M CB -1.157 31.464 32.600 0.034 0.000 1.339 133 M HN 0.605 nan 8.290 nan 0.000 0.409 134 D N -0.343 120.069 120.400 0.020 0.000 2.103 134 D HA -0.132 4.507 4.640 -0.002 0.000 0.190 134 D C -0.755 175.544 176.300 -0.002 0.000 0.997 134 D CA 1.720 55.730 54.000 0.016 0.000 0.833 134 D CB -1.600 39.203 40.800 0.005 0.000 0.961 134 D HN 0.200 nan 8.370 nan 0.000 0.447 135 P HA -0.120 nan 4.420 nan 0.000 0.217 135 P C 1.683 178.965 177.300 -0.029 0.000 1.148 135 P CA 0.733 63.806 63.100 -0.044 0.000 0.828 135 P CB -0.005 31.643 31.700 -0.087 0.000 0.783 136 L N 0.255 121.471 121.223 -0.011 0.000 2.044 136 L HA -0.114 4.225 4.340 -0.002 0.000 0.205 136 L C 2.315 179.189 176.870 0.007 0.000 1.075 136 L CA 1.943 56.790 54.840 0.011 0.000 0.747 136 L CB -1.440 40.652 42.059 0.054 0.000 0.903 136 L HN -0.177 nan 8.230 nan 0.000 0.435 137 E N 0.028 120.233 120.200 0.009 0.000 2.086 137 E HA -0.274 4.075 4.350 -0.002 0.000 0.200 137 E C 1.889 178.492 176.600 0.004 0.000 1.012 137 E CA 2.064 58.469 56.400 0.007 0.000 0.812 137 E CB -0.219 29.511 29.700 0.049 0.000 0.743 137 E HN 0.564 nan 8.360 nan 0.000 0.453 138 N N -0.229 118.473 118.700 0.003 0.000 2.250 138 N HA -0.028 4.711 4.740 -0.002 0.000 0.181 138 N C 1.523 177.029 175.510 -0.008 0.000 1.017 138 N CA 1.290 54.340 53.050 -0.000 0.000 0.866 138 N CB -0.561 37.922 38.487 -0.006 0.000 0.985 138 N HN 0.300 nan 8.380 nan 0.000 0.429 139 A N 1.430 124.239 122.820 -0.019 0.000 1.902 139 A HA -0.042 4.277 4.320 -0.002 0.000 0.217 139 A C 2.274 179.835 177.584 -0.037 0.000 1.181 139 A CA 0.842 52.858 52.037 -0.034 0.000 0.623 139 A CB -0.637 18.340 19.000 -0.037 0.000 0.818 139 A HN 0.184 nan 8.150 nan 0.000 0.443 140 I N -0.244 120.312 120.570 -0.023 0.000 2.142 140 I HA -0.242 3.926 4.170 -0.002 0.000 0.240 140 I C 2.691 178.824 176.117 0.028 0.000 1.078 140 I CA 1.569 62.859 61.300 -0.017 0.000 1.343 140 I CB -0.548 37.431 38.000 -0.035 0.000 1.046 140 I HN 0.223 nan 8.210 nan 0.000 0.405 141 S N 0.857 116.570 115.700 0.021 0.000 2.387 141 S HA -0.212 4.257 4.470 -0.002 0.000 0.230 141 S C 2.200 176.886 174.600 0.144 0.000 1.035 141 S CA 1.515 59.761 58.200 0.077 0.000 1.014 141 S CB -0.402 62.822 63.200 0.040 0.000 0.836 141 S HN 0.573 nan 8.310 nan 0.000 0.466 142 A N 0.921 123.779 122.820 0.065 0.000 1.968 142 A HA 0.135 4.454 4.320 -0.002 0.000 0.217 142 A C 1.984 179.579 177.584 0.019 0.000 1.169 142 A CA 0.837 52.898 52.037 0.040 0.000 0.638 142 A CB -0.449 18.550 19.000 -0.002 0.000 0.812 142 A HN 0.467 nan 8.150 nan 0.000 0.446 143 L N -2.864 118.349 121.223 -0.016 0.000 2.418 143 L HA -0.068 4.271 4.340 -0.002 0.000 0.218 143 L C 2.312 179.225 176.870 0.072 0.000 1.125 143 L CA 0.426 55.197 54.840 -0.115 0.000 0.835 143 L CB -0.319 41.526 42.059 -0.357 0.000 0.953 143 L HN 0.708 nan 8.230 nan 0.000 0.454 144 W N 1.126 122.405 121.300 -0.035 0.000 2.408 144 W HA -0.148 4.510 4.660 -0.003 0.000 0.311 144 W C 2.340 178.880 176.519 0.035 0.000 1.190 144 W CA 1.052 58.412 57.345 0.025 0.000 1.321 144 W CB 0.050 29.519 29.460 0.015 0.000 1.143 144 W HN -0.112 nan 8.180 nan 0.000 0.501 145 I N 0.596 121.237 120.570 0.119 0.000 2.179 145 I HA -0.233 3.936 4.170 -0.002 0.000 0.242 145 I C 1.321 177.377 176.117 -0.102 0.000 1.088 145 I CA 1.874 63.150 61.300 -0.040 0.000 1.357 145 I CB -1.849 36.195 38.000 0.073 0.000 1.051 145 I HN -0.028 nan 8.210 nan 0.000 0.409 146 S N 1.929 117.574 115.700 -0.091 0.000 3.628 146 S HA -0.190 4.279 4.470 -0.002 0.000 0.373 146 S C 0.437 174.970 174.600 -0.112 0.000 0.968 146 S CA 0.408 58.479 58.200 -0.215 0.000 1.215 146 S CB -1.906 60.904 63.200 -0.650 0.000 0.912 146 S HN 0.602 nan 8.310 nan 0.000 0.495 147 N N 1.474 120.153 118.700 -0.036 0.000 2.406 147 N HA 0.166 4.904 4.740 -0.002 0.000 0.265 147 N C 0.885 176.409 175.510 0.023 0.000 1.203 147 N CA -0.125 52.922 53.050 -0.004 0.000 0.945 147 N CB 0.158 38.650 38.487 0.008 0.000 1.165 147 N HN 0.523 nan 8.380 nan 0.000 0.485 148 L N 2.489 123.717 121.223 0.009 0.000 2.362 148 L HA -0.114 4.224 4.340 -0.002 0.000 0.219 148 L C 2.206 179.124 176.870 0.080 0.000 1.134 148 L CA 1.146 56.006 54.840 0.034 0.000 0.807 148 L CB -0.874 41.124 42.059 -0.101 0.000 0.927 148 L HN 0.704 nan 8.230 nan 0.000 0.447 149 N N -0.356 118.376 118.700 0.053 0.000 2.463 149 N HA 0.001 4.739 4.740 -0.002 0.000 0.181 149 N C 1.906 177.451 175.510 0.057 0.000 1.078 149 N CA 1.118 54.202 53.050 0.057 0.000 0.902 149 N CB -0.321 38.189 38.487 0.038 0.000 0.970 149 N HN 0.513 nan 8.380 nan 0.000 0.451 150 Q N -1.013 118.820 119.800 0.055 0.000 1.879 150 Q HA 0.076 4.415 4.340 -0.002 0.000 0.214 150 Q C 1.561 177.592 176.000 0.052 0.000 0.973 150 Q CA 1.944 57.772 55.803 0.043 0.000 0.856 150 Q CB -0.615 28.139 28.738 0.027 0.000 0.907 150 Q HN 0.689 nan 8.270 nan 0.000 0.436 151 Q N -1.982 117.860 119.800 0.069 0.000 2.858 151 Q HA -0.382 3.957 4.340 -0.002 0.000 0.191 151 Q C 1.853 177.826 176.000 -0.045 0.000 2.796 151 Q CA 1.956 57.810 55.803 0.085 0.000 0.359 151 Q CB -1.262 27.590 28.738 0.191 0.000 0.330 151 Q HN 0.704 nan 8.270 nan 0.000 0.511 152 R N 0.669 121.139 120.500 -0.050 0.000 2.096 152 R HA -0.104 4.235 4.340 -0.002 0.000 0.240 152 R C 2.060 178.297 176.300 -0.105 0.000 1.139 152 R CA 2.059 58.100 56.100 -0.097 0.000 0.952 152 R CB -0.257 30.010 30.300 -0.056 0.000 0.854 152 R HN 0.402 nan 8.270 nan 0.000 0.436 153 A N 0.217 122.999 122.820 -0.064 0.000 2.123 153 A HA 0.070 4.388 4.320 -0.002 0.000 0.214 153 A C 2.044 179.589 177.584 -0.066 0.000 1.152 153 A CA 0.387 52.389 52.037 -0.059 0.000 0.728 153 A CB -0.109 18.872 19.000 -0.032 0.000 0.814 153 A HN 0.320 nan 8.150 nan 0.000 0.464 154 L N -0.982 120.201 121.223 -0.066 0.000 2.072 154 L HA -0.109 4.230 4.340 -0.002 0.000 0.205 154 L C 3.009 179.806 176.870 -0.123 0.000 1.079 154 L CA 1.050 55.848 54.840 -0.071 0.000 0.752 154 L CB -0.435 41.613 42.059 -0.018 0.000 0.906 154 L HN 0.405 nan 8.230 nan 0.000 0.436 155 A N -0.078 122.616 122.820 -0.211 0.000 1.968 155 A HA -0.192 4.127 4.320 -0.002 0.000 0.217 155 A C 2.442 179.925 177.584 -0.167 0.000 1.169 155 A CA 1.244 53.109 52.037 -0.286 0.000 0.638 155 A CB -0.500 18.128 19.000 -0.620 0.000 0.812 155 A HN 0.314 nan 8.150 nan 0.000 0.446 156 R N -0.084 120.333 120.500 -0.137 0.000 2.081 156 R HA -0.094 4.245 4.340 -0.002 0.000 0.235 156 R C 2.077 178.333 176.300 -0.072 0.000 1.131 156 R CA 1.822 57.866 56.100 -0.094 0.000 0.960 156 R CB -0.306 29.944 30.300 -0.084 0.000 0.856 156 R HN 0.452 nan 8.270 nan 0.000 0.436 157 S N 1.023 116.676 115.700 -0.077 0.000 2.383 157 S HA -0.056 4.413 4.470 -0.002 0.000 0.227 157 S C 1.883 176.445 174.600 -0.063 0.000 1.026 157 S CA 1.026 59.184 58.200 -0.071 0.000 0.981 157 S CB -0.106 63.044 63.200 -0.083 0.000 0.818 157 S HN 0.277 nan 8.310 nan 0.000 0.472 158 L N 1.005 122.192 121.223 -0.059 0.000 2.141 158 L HA -0.051 4.288 4.340 -0.002 0.000 0.209 158 L C 2.073 178.953 176.870 0.016 0.000 1.094 158 L CA 0.874 55.699 54.840 -0.025 0.000 0.763 158 L CB -0.596 41.470 42.059 0.012 0.000 0.908 158 L HN 0.289 nan 8.230 nan 0.000 0.437 159 I N -0.852 119.732 120.570 0.023 0.000 2.163 159 I HA -0.283 3.886 4.170 -0.002 0.000 0.243 159 I C 2.435 178.580 176.117 0.046 0.000 1.085 159 I CA 1.169 62.517 61.300 0.081 0.000 1.347 159 I CB -0.351 37.677 38.000 0.047 0.000 1.044 159 I HN 0.028 nan 8.210 nan 0.000 0.408 160 V N 0.360 120.269 119.914 -0.009 0.000 2.255 160 V HA -0.257 3.862 4.120 -0.002 0.000 0.247 160 V C 2.413 178.516 176.094 0.014 0.000 1.051 160 V CA 1.770 64.055 62.300 -0.025 0.000 1.018 160 V CB -0.638 31.157 31.823 -0.047 0.000 0.641 160 V HN 0.237 nan 8.190 nan 0.000 0.445 161 V N -0.159 119.765 119.914 0.018 0.000 2.307 161 V HA -0.232 3.887 4.120 -0.002 0.000 0.245 161 V C 2.225 178.360 176.094 0.069 0.000 1.045 161 V CA 2.218 64.543 62.300 0.041 0.000 1.024 161 V CB -0.525 31.303 31.823 0.009 0.000 0.651 161 V HN 0.426 nan 8.190 nan 0.000 0.449 162 I N -0.353 120.255 120.570 0.063 0.000 2.264 162 I HA -0.317 3.852 4.170 -0.002 0.000 0.248 162 I C 2.670 178.850 176.117 0.105 0.000 1.111 162 I CA 1.644 62.984 61.300 0.066 0.000 1.382 162 I CB -0.391 37.624 38.000 0.024 0.000 1.060 162 I HN 0.368 nan 8.210 nan 0.000 0.418 163 Q N -0.122 119.759 119.800 0.134 0.000 2.079 163 Q HA -0.125 4.214 4.340 -0.002 0.000 0.200 163 Q C 2.224 178.306 176.000 0.137 0.000 0.974 163 Q CA 1.344 57.231 55.803 0.139 0.000 0.840 163 Q CB -0.052 28.743 28.738 0.094 0.000 0.898 163 Q HN 0.537 nan 8.270 nan 0.000 0.430 164 M N -0.704 118.973 119.600 0.128 0.000 2.541 164 M HA -0.031 4.448 4.480 -0.002 0.000 0.252 164 M C 1.267 177.697 176.300 0.216 0.000 1.125 164 M CA 0.419 55.825 55.300 0.177 0.000 1.091 164 M CB 0.622 33.300 32.600 0.131 0.000 1.420 164 M HN 0.031 nan 8.290 nan 0.000 0.486 165 V N -0.958 119.043 119.914 0.144 0.000 3.405 165 V HA 0.208 4.327 4.120 -0.002 0.000 0.211 165 V C 2.199 178.285 176.094 -0.013 0.000 1.151 165 V CA 1.050 63.406 62.300 0.093 0.000 1.323 165 V CB -0.885 31.034 31.823 0.159 0.000 1.357 165 V HN 0.307 nan 8.190 nan 0.000 0.506 166 A N 0.271 123.086 122.820 -0.009 0.000 1.869 166 A HA -0.264 4.055 4.320 -0.002 0.000 0.218 166 A C 2.023 179.539 177.584 -0.114 0.000 1.203 166 A CA 2.274 54.266 52.037 -0.076 0.000 0.638 166 A CB -0.702 18.264 19.000 -0.056 0.000 0.831 166 A HN 0.594 nan 8.150 nan 0.000 0.450 167 E N -0.225 119.965 120.200 -0.016 0.000 2.085 167 E HA -0.175 4.174 4.350 -0.002 0.000 0.194 167 E C 2.314 178.981 176.600 0.111 0.000 0.994 167 E CA 1.368 57.805 56.400 0.061 0.000 0.801 167 E CB -0.766 29.034 29.700 0.168 0.000 0.743 167 E HN 0.616 nan 8.360 nan 0.000 0.453 168 A N 0.994 123.872 122.820 0.097 0.000 1.972 168 A HA -0.108 4.211 4.320 -0.002 0.000 0.219 168 A C 2.612 180.179 177.584 -0.027 0.000 1.169 168 A CA 1.177 53.275 52.037 0.101 0.000 0.635 168 A CB -0.517 18.573 19.000 0.151 0.000 0.810 168 A HN 0.134 nan 8.150 nan 0.000 0.446 169 V N -0.025 119.817 119.914 -0.120 0.000 2.343 169 V HA -0.259 3.859 4.120 -0.002 0.000 0.247 169 V C 2.650 178.636 176.094 -0.180 0.000 1.051 169 V CA 2.272 64.460 62.300 -0.186 0.000 1.036 169 V CB -0.725 30.970 31.823 -0.213 0.000 0.654 169 V HN 0.554 nan 8.190 nan 0.000 0.451 170 R N -1.383 118.968 120.500 -0.249 0.000 2.090 170 R HA 0.028 4.366 4.340 -0.002 0.000 0.228 170 R C 0.000 175.973 176.300 -0.545 0.000 1.110 170 R CA 0.947 56.768 56.100 -0.466 0.000 0.973 170 R CB -0.024 29.734 30.300 -0.903 0.000 0.869 170 R HN 0.402 nan 8.270 nan 0.000 0.440 171 F N -0.677 119.276 119.950 0.005 0.000 2.539 171 F HA 0.380 4.906 4.527 -0.001 0.000 0.318 171 F C 1.029 176.814 175.800 -0.025 0.000 1.135 171 F CA -0.966 57.051 58.000 0.030 0.000 0.915 171 F CB 1.711 40.821 39.000 0.184 0.000 1.176 171 F HN -0.343 nan 8.300 nan 0.000 0.440 172 R N 1.370 121.862 120.500 -0.014 0.000 2.193 172 R HA -0.109 4.230 4.340 -0.002 0.000 0.229 172 R C 1.331 177.679 176.300 0.081 0.000 1.110 172 R CA 1.326 57.399 56.100 -0.045 0.000 0.988 172 R CB -0.141 30.067 30.300 -0.154 0.000 0.871 172 R HN 0.526 nan 8.270 nan 0.000 0.458 173 F N 0.608 120.692 119.950 0.223 0.000 2.102 173 F HA -0.165 4.361 4.527 -0.002 0.000 0.298 173 F C 2.239 178.154 175.800 0.192 0.000 1.105 173 F CA 1.043 59.155 58.000 0.186 0.000 1.239 173 F CB -0.667 38.407 39.000 0.122 0.000 0.991 173 F HN 0.020 nan 8.300 nan 0.000 0.474 174 I N -1.114 119.697 120.570 0.401 0.000 2.716 174 I HA -0.056 4.113 4.170 -0.002 0.000 0.259 174 I C 2.067 178.330 176.117 0.243 0.000 1.172 174 I CA 1.284 62.746 61.300 0.270 0.000 1.478 174 I CB -0.688 37.460 38.000 0.247 0.000 1.104 174 I HN 0.196 nan 8.210 nan 0.000 0.439 175 E N 0.315 120.671 120.200 0.259 0.000 2.085 175 E HA -0.318 4.030 4.350 -0.002 0.000 0.194 175 E C 2.132 178.891 176.600 0.266 0.000 0.994 175 E CA 1.784 58.348 56.400 0.273 0.000 0.801 175 E CB -0.429 29.373 29.700 0.170 0.000 0.743 175 E HN 0.705 nan 8.360 nan 0.000 0.453 176 Y N 1.976 122.342 120.300 0.110 0.000 2.097 176 Y HA -0.251 4.297 4.550 -0.002 0.000 0.282 176 Y C 2.259 178.134 175.900 -0.043 0.000 1.152 176 Y CA 2.053 60.185 58.100 0.053 0.000 1.136 176 Y CB -0.286 38.219 38.460 0.076 0.000 0.975 176 Y HN -0.034 nan 8.280 nan 0.000 0.498 177 R N -0.081 120.243 120.500 -0.292 0.000 2.113 177 R HA -0.181 4.158 4.340 -0.002 0.000 0.244 177 R C 2.270 178.165 176.300 -0.675 0.000 1.142 177 R CA 1.852 57.541 56.100 -0.685 0.000 0.953 177 R CB -1.608 28.260 30.300 -0.719 0.000 0.860 177 R HN 0.406 nan 8.270 nan 0.000 0.438 178 V N 1.213 120.959 119.914 -0.281 0.000 2.453 178 V HA -0.175 3.944 4.120 -0.002 0.000 0.247 178 V C 2.500 178.411 176.094 -0.306 0.000 1.048 178 V CA 1.563 63.742 62.300 -0.201 0.000 1.049 178 V CB -0.519 31.150 31.823 -0.258 0.000 0.672 178 V HN 0.276 nan 8.190 nan 0.000 0.457 179 R N 0.741 121.119 120.500 -0.204 0.000 2.127 179 R HA -0.207 4.131 4.340 -0.002 0.000 0.238 179 R C 2.185 178.379 176.300 -0.178 0.000 1.134 179 R CA 1.832 57.866 56.100 -0.110 0.000 0.975 179 R CB -0.227 30.091 30.300 0.031 0.000 0.865 179 R HN 0.817 nan 8.270 nan 0.000 0.447 180 E N -0.572 119.436 120.200 -0.320 0.000 2.442 180 E HA 0.065 4.414 4.350 -0.002 0.000 0.195 180 E C 1.532 178.011 176.600 -0.201 0.000 1.030 180 E CA 0.417 56.639 56.400 -0.297 0.000 0.869 180 E CB 0.197 29.629 29.700 -0.448 0.000 0.857 180 E HN -0.022 nan 8.360 nan 0.000 0.505 181 S N 1.124 116.719 115.700 -0.176 0.000 2.356 181 S HA -0.087 4.382 4.470 -0.002 0.000 0.223 181 S C 1.919 176.493 174.600 -0.043 0.000 1.032 181 S CA 1.067 59.242 58.200 -0.041 0.000 1.005 181 S CB -0.203 63.034 63.200 0.063 0.000 0.867 181 S HN 0.281 nan 8.310 nan 0.000 0.449 182 I N 0.654 121.180 120.570 -0.074 0.000 2.252 182 I HA -0.124 4.045 4.170 -0.002 0.000 0.245 182 I C 2.481 178.582 176.117 -0.026 0.000 1.102 182 I CA 0.807 62.084 61.300 -0.038 0.000 1.385 182 I CB -0.493 37.488 38.000 -0.032 0.000 1.064 182 I HN 0.189 nan 8.210 nan 0.000 0.414 183 S N 0.640 116.313 115.700 -0.046 0.000 2.348 183 S HA -0.121 4.347 4.470 -0.002 0.000 0.221 183 S C 1.975 176.558 174.600 -0.029 0.000 1.033 183 S CA 1.409 59.586 58.200 -0.038 0.000 1.010 183 S CB -0.191 62.977 63.200 -0.054 0.000 0.891 183 S HN 0.386 nan 8.310 nan 0.000 0.442 184 R N 0.661 121.139 120.500 -0.037 0.000 2.317 184 R HA 0.385 4.724 4.340 -0.002 0.000 0.208 184 R C 0.762 177.055 176.300 -0.011 0.000 0.914 184 R CA 0.481 56.566 56.100 -0.025 0.000 1.060 184 R CB -0.003 30.276 30.300 -0.035 0.000 1.015 184 R HN 0.320 nan 8.270 nan 0.000 0.498 185 A N 2.084 124.900 122.820 -0.007 0.000 2.596 185 A HA -0.249 4.070 4.320 -0.002 0.000 0.300 185 A C -0.421 177.169 177.584 0.009 0.000 1.495 185 A CA 1.209 53.249 52.037 0.005 0.000 0.769 185 A CB -1.412 17.593 19.000 0.008 0.000 1.047 185 A HN 0.492 nan 8.150 nan 0.000 0.436 186 E N -0.779 119.429 120.200 0.014 0.000 2.241 186 E HA 0.533 4.882 4.350 -0.002 0.000 0.263 186 E C 0.090 176.732 176.600 0.070 0.000 0.882 186 E CA -0.651 55.765 56.400 0.027 0.000 0.769 186 E CB 1.110 30.819 29.700 0.016 0.000 1.185 186 E HN 0.633 nan 8.360 nan 0.000 0.415 187 M N 3.016 122.652 119.600 0.060 0.000 2.232 187 M HA 0.283 4.762 4.480 -0.002 0.000 0.321 187 M C -0.265 176.122 176.300 0.145 0.000 1.101 187 M CA 0.178 55.519 55.300 0.067 0.000 1.181 187 M CB 0.165 32.751 32.600 -0.023 0.000 1.432 187 M HN 0.404 nan 8.290 nan 0.000 0.457 188 F N -1.176 118.741 119.950 -0.055 0.000 2.599 188 F HA 0.834 5.360 4.527 -0.002 0.000 0.311 188 F C -0.922 174.848 175.800 -0.049 0.000 1.076 188 F CA -1.477 56.491 58.000 -0.054 0.000 0.937 188 F CB 1.249 40.211 39.000 -0.064 0.000 1.282 188 F HN 0.344 nan 8.300 nan 0.000 0.460 189 R N 1.955 122.453 120.500 -0.003 0.000 2.404 189 R HA 0.568 4.906 4.340 -0.002 0.000 0.291 189 R C -2.760 173.575 176.300 0.058 0.000 1.025 189 R CA -2.233 53.814 56.100 -0.087 0.000 0.991 189 R CB 0.950 31.229 30.300 -0.034 0.000 1.053 189 R HN 0.438 nan 8.270 nan 0.000 0.479 190 P HA 0.039 nan 4.420 nan 0.000 0.269 190 P C -1.104 176.227 177.300 0.052 0.000 1.252 190 P CA -0.174 62.974 63.100 0.081 0.000 0.780 190 P CB 0.417 32.100 31.700 -0.028 0.000 0.829 191 D N 4.642 125.094 120.400 0.086 0.000 2.382 191 D HA 0.007 4.646 4.640 -0.002 0.000 0.240 191 D C -1.784 174.507 176.300 -0.015 0.000 1.146 191 D CA -1.460 52.554 54.000 0.024 0.000 0.897 191 D CB 0.366 41.177 40.800 0.018 0.000 1.197 191 D HN 0.103 nan 8.370 nan 0.000 0.432 192 P HA -0.170 nan 4.420 nan 0.000 0.219 192 P C 1.102 178.360 177.300 -0.070 0.000 1.144 192 P CA 2.184 65.254 63.100 -0.050 0.000 0.806 192 P CB 0.041 31.713 31.700 -0.047 0.000 0.771 193 A N -0.732 122.039 122.820 -0.080 0.000 1.840 193 A HA -0.155 4.163 4.320 -0.002 0.000 0.214 193 A C 2.268 179.763 177.584 -0.147 0.000 1.198 193 A CA 1.696 53.657 52.037 -0.127 0.000 0.608 193 A CB -1.464 17.447 19.000 -0.148 0.000 0.839 193 A HN 0.123 nan 8.150 nan 0.000 0.443 194 M N -0.396 119.147 119.600 -0.096 0.000 2.149 194 M HA -0.151 4.327 4.480 -0.002 0.000 0.261 194 M C 1.868 178.115 176.300 -0.088 0.000 1.064 194 M CA 1.671 56.928 55.300 -0.073 0.000 1.102 194 M CB -0.345 32.273 32.600 0.031 0.000 1.369 194 M HN 0.417 nan 8.290 nan 0.000 0.408 195 L N -0.218 120.958 121.223 -0.078 0.000 2.046 195 L HA -0.196 4.143 4.340 -0.002 0.000 0.208 195 L C 2.792 179.619 176.870 -0.071 0.000 1.077 195 L CA 1.627 56.414 54.840 -0.088 0.000 0.747 195 L CB -0.796 41.210 42.059 -0.088 0.000 0.896 195 L HN 0.488 nan 8.230 nan 0.000 0.432 196 S N -0.090 115.560 115.700 -0.083 0.000 2.371 196 S HA -0.109 4.360 4.470 -0.002 0.000 0.224 196 S C 1.985 176.539 174.600 -0.077 0.000 1.029 196 S CA 0.617 58.780 58.200 -0.063 0.000 0.978 196 S CB -0.710 62.444 63.200 -0.076 0.000 0.833 196 S HN 0.310 nan 8.310 nan 0.000 0.466 197 L N 1.537 122.624 121.223 -0.226 0.000 1.990 197 L HA -0.182 4.157 4.340 -0.002 0.000 0.213 197 L C 3.003 179.772 176.870 -0.168 0.000 1.072 197 L CA 2.129 56.661 54.840 -0.512 0.000 0.755 197 L CB -0.812 40.571 42.059 -1.127 0.000 0.889 197 L HN 0.400 nan 8.230 nan 0.000 0.432 198 E N 0.040 120.210 120.200 -0.051 0.000 2.049 198 E HA -0.228 4.121 4.350 -0.002 0.000 0.198 198 E C 1.962 178.733 176.600 0.285 0.000 1.007 198 E CA 1.549 58.070 56.400 0.201 0.000 0.809 198 E CB -0.246 29.522 29.700 0.113 0.000 0.749 198 E HN 0.498 nan 8.360 nan 0.000 0.450 199 N N 0.548 119.351 118.700 0.172 0.000 2.309 199 N HA -0.095 4.644 4.740 -0.002 0.000 0.182 199 N C 1.128 176.769 175.510 0.219 0.000 1.018 199 N CA 0.893 54.057 53.050 0.191 0.000 0.876 199 N CB 0.088 38.639 38.487 0.107 0.000 0.972 199 N HN 0.051 nan 8.380 nan 0.000 0.434 200 K N -0.788 119.744 120.400 0.219 0.000 2.372 200 K HA 0.039 4.357 4.320 -0.002 0.000 0.200 200 K C 1.133 177.930 176.600 0.328 0.000 1.022 200 K CA -0.419 55.994 56.287 0.209 0.000 1.125 200 K CB 0.021 32.600 32.500 0.132 0.000 0.855 200 K HN 0.219 nan 8.250 nan 0.000 0.524 201 W N 2.235 123.718 121.300 0.305 0.000 2.318 201 W HA -0.231 4.427 4.660 -0.003 0.000 0.313 201 W C 2.229 178.853 176.519 0.175 0.000 1.221 201 W CA 1.937 59.503 57.345 0.368 0.000 1.266 201 W CB -0.419 29.275 29.460 0.390 0.000 1.150 201 W HN 0.013 nan 8.180 nan 0.000 0.496 202 S N -0.161 115.595 115.700 0.092 0.000 2.359 202 S HA -0.201 4.268 4.470 -0.002 0.000 0.224 202 S C 2.032 176.532 174.600 -0.167 0.000 1.035 202 S CA 2.027 60.129 58.200 -0.163 0.000 1.018 202 S CB -0.960 62.256 63.200 0.027 0.000 0.876 202 S HN 0.358 nan 8.310 nan 0.000 0.448 203 A N 1.139 123.930 122.820 -0.048 0.000 1.902 203 A HA 0.010 4.329 4.320 -0.002 0.000 0.217 203 A C 2.147 179.646 177.584 -0.142 0.000 1.181 203 A CA 1.347 53.338 52.037 -0.076 0.000 0.623 203 A CB -0.775 18.219 19.000 -0.010 0.000 0.818 203 A HN 0.548 nan 8.150 nan 0.000 0.443 204 L N -0.357 120.820 121.223 -0.077 0.000 2.079 204 L HA -0.192 4.146 4.340 -0.002 0.000 0.210 204 L C 2.874 179.620 176.870 -0.207 0.000 1.081 204 L CA 1.496 56.287 54.840 -0.083 0.000 0.752 204 L CB -0.442 41.689 42.059 0.120 0.000 0.896 204 L HN 0.334 nan 8.230 nan 0.000 0.433 205 S N -0.160 115.364 115.700 -0.294 0.000 2.356 205 S HA -0.202 4.267 4.470 -0.002 0.000 0.223 205 S C 1.747 176.162 174.600 -0.307 0.000 1.032 205 S CA 1.720 59.711 58.200 -0.348 0.000 1.005 205 S CB -0.435 62.433 63.200 -0.553 0.000 0.867 205 S HN 0.434 nan 8.310 nan 0.000 0.449 206 N N 1.725 120.245 118.700 -0.299 0.000 2.104 206 N HA -0.083 4.656 4.740 -0.002 0.000 0.190 206 N C 1.639 176.957 175.510 -0.320 0.000 1.024 206 N CA 1.556 54.446 53.050 -0.267 0.000 0.853 206 N CB -0.494 37.867 38.487 -0.209 0.000 1.008 206 N HN 0.338 nan 8.380 nan 0.000 0.424 207 A N 0.014 122.558 122.820 -0.461 0.000 1.851 207 A HA -0.113 4.205 4.320 -0.002 0.000 0.216 207 A C 2.471 179.580 177.584 -0.793 0.000 1.195 207 A CA 1.922 53.455 52.037 -0.840 0.000 0.622 207 A CB -1.127 16.959 19.000 -1.523 0.000 0.831 207 A HN 0.170 nan 8.150 nan 0.000 0.444 208 V N -0.336 119.237 119.914 -0.569 0.000 2.255 208 V HA -0.346 3.773 4.120 -0.002 0.000 0.247 208 V C 2.737 178.744 176.094 -0.145 0.000 1.051 208 V CA 2.488 64.662 62.300 -0.210 0.000 1.018 208 V CB -0.925 30.866 31.823 -0.054 0.000 0.641 208 V HN 0.666 nan 8.190 nan 0.000 0.445 209 Q N -0.554 119.174 119.800 -0.119 0.000 2.050 209 Q HA -0.185 4.154 4.340 -0.002 0.000 0.202 209 Q C 2.019 178.008 176.000 -0.020 0.000 0.980 209 Q CA 1.478 57.254 55.803 -0.044 0.000 0.840 209 Q CB -0.080 28.554 28.738 -0.173 0.000 0.898 209 Q HN 0.653 nan 8.270 nan 0.000 0.424 210 Q N 0.625 120.366 119.800 -0.099 0.000 2.253 210 Q HA 0.063 4.402 4.340 -0.002 0.000 0.210 210 Q C 0.019 176.006 176.000 -0.021 0.000 0.907 210 Q CA -0.076 55.690 55.803 -0.061 0.000 0.948 210 Q CB 0.408 29.090 28.738 -0.093 0.000 1.033 210 Q HN 0.234 nan 8.270 nan 0.000 0.471 211 S N 0.966 116.665 115.700 -0.002 0.000 2.655 211 S HA 0.220 4.689 4.470 -0.002 0.000 0.265 211 S C 0.295 174.958 174.600 0.105 0.000 1.240 211 S CA -0.923 57.302 58.200 0.041 0.000 0.986 211 S CB 0.777 63.975 63.200 -0.003 0.000 0.985 211 S HN 0.360 nan 8.310 nan 0.000 0.562 212 N N 0.202 118.963 118.700 0.103 0.000 2.347 212 N HA 0.100 4.838 4.740 -0.002 0.000 0.253 212 N C -0.439 175.192 175.510 0.201 0.000 1.274 212 N CA -0.466 52.660 53.050 0.127 0.000 0.941 212 N CB -0.170 38.377 38.487 0.099 0.000 1.200 212 N HN 0.605 nan 8.380 nan 0.000 0.514 213 Q N -0.743 119.168 119.800 0.184 0.000 2.300 213 Q HA 0.383 4.722 4.340 -0.002 0.000 0.262 213 Q C 0.621 176.738 176.000 0.195 0.000 1.109 213 Q CA 1.120 57.046 55.803 0.206 0.000 0.905 213 Q CB -0.549 28.275 28.738 0.144 0.000 1.280 213 Q HN 0.926 nan 8.270 nan 0.000 0.426 214 G N 2.174 111.099 108.800 0.209 0.000 2.624 214 G HA2 -0.050 3.909 3.960 -0.002 0.000 0.190 214 G HA3 -0.050 3.909 3.960 -0.002 0.000 0.190 214 G C 0.605 175.484 174.900 -0.034 0.000 1.008 214 G CA 0.073 45.218 45.100 0.076 0.000 0.731 214 G HN 1.443 nan 8.290 nan 0.000 0.478 215 G N -1.049 107.742 108.800 -0.015 0.000 2.141 215 G HA2 0.016 3.974 3.960 -0.002 0.000 0.231 215 G HA3 0.016 3.974 3.960 -0.002 0.000 0.231 215 G C 0.291 175.102 174.900 -0.147 0.000 0.984 215 G CA 0.496 45.486 45.100 -0.184 0.000 0.660 215 G HN 1.520 nan 8.290 nan 0.000 0.525 216 V N 2.763 122.620 119.914 -0.095 0.000 2.455 216 V HA 0.488 4.607 4.120 -0.002 0.000 0.273 216 V C 0.928 177.099 176.094 0.128 0.000 1.045 216 V CA -0.742 61.507 62.300 -0.084 0.000 0.976 216 V CB 0.225 32.003 31.823 -0.075 0.000 0.993 216 V HN 0.195 nan 8.190 nan 0.000 0.475 217 F N 3.235 123.145 119.950 -0.066 0.000 2.490 217 F HA 0.150 4.676 4.527 -0.002 0.000 0.336 217 F C 1.735 177.522 175.800 -0.021 0.000 1.178 217 F CA -0.146 57.825 58.000 -0.048 0.000 1.301 217 F CB 0.599 39.580 39.000 -0.032 0.000 1.175 217 F HN 0.613 nan 8.300 nan 0.000 0.593 218 S N -0.749 115.051 115.700 0.166 0.000 2.456 218 S HA 0.120 4.589 4.470 -0.002 0.000 0.224 218 S C 0.429 175.081 174.600 0.088 0.000 1.035 218 S CA 0.183 58.440 58.200 0.094 0.000 0.940 218 S CB -0.091 63.137 63.200 0.046 0.000 0.799 218 S HN 0.379 nan 8.310 nan 0.000 0.508 219 S N 2.698 118.455 115.700 0.094 0.000 2.526 219 S HA 0.684 5.153 4.470 -0.002 0.000 0.293 219 S C -2.946 171.761 174.600 0.179 0.000 1.092 219 S CA -1.208 57.048 58.200 0.092 0.000 0.980 219 S CB 1.709 64.935 63.200 0.043 0.000 1.048 219 S HN 0.182 nan 8.310 nan 0.000 0.483 220 P HA 0.300 nan 4.420 nan 0.000 0.272 220 P C -1.200 176.240 177.300 0.232 0.000 1.230 220 P CA -0.456 62.801 63.100 0.261 0.000 0.788 220 P CB 0.433 32.242 31.700 0.181 0.000 0.949 221 V N 1.489 121.570 119.914 0.277 0.000 2.448 221 V HA 0.237 4.355 4.120 -0.002 0.000 0.295 221 V C 0.212 176.421 176.094 0.191 0.000 1.025 221 V CA -0.567 61.842 62.300 0.182 0.000 0.859 221 V CB 1.367 33.266 31.823 0.125 0.000 0.988 221 V HN 0.535 nan 8.190 nan 0.000 0.431 222 E N 5.242 125.534 120.200 0.154 0.000 2.089 222 E HA 0.475 4.823 4.350 -0.002 0.000 0.284 222 E C -1.012 175.572 176.600 -0.026 0.000 1.023 222 E CA -0.333 56.107 56.400 0.067 0.000 0.819 222 E CB 0.760 30.537 29.700 0.129 0.000 1.076 222 E HN 0.576 nan 8.360 nan 0.000 0.396 223 L N 3.378 124.541 121.223 -0.100 0.000 2.492 223 L HA 0.617 4.956 4.340 -0.002 0.000 0.263 223 L C 0.613 177.393 176.870 -0.151 0.000 1.062 223 L CA -1.211 53.565 54.840 -0.106 0.000 0.817 223 L CB 1.074 43.069 42.059 -0.107 0.000 1.441 223 L HN 0.489 nan 8.230 nan 0.000 0.493 224 R N -0.407 120.015 120.500 -0.129 0.000 2.888 224 R HA 0.515 4.853 4.340 -0.002 0.000 0.264 224 R C -0.929 175.311 176.300 -0.100 0.000 1.045 224 R CA -0.637 55.394 56.100 -0.115 0.000 0.962 224 R CB 2.066 32.312 30.300 -0.091 0.000 1.210 224 R HN 0.778 nan 8.270 nan 0.000 0.479 225 S N -0.204 115.453 115.700 -0.073 0.000 2.681 225 S HA 0.470 4.938 4.470 -0.002 0.000 0.299 225 S C 0.154 174.714 174.600 -0.067 0.000 1.113 225 S CA -0.842 57.323 58.200 -0.058 0.000 1.013 225 S CB 1.146 64.323 63.200 -0.038 0.000 1.076 225 S HN 0.514 nan 8.310 nan 0.000 0.534 226 I N 2.654 123.184 120.570 -0.067 0.000 2.587 226 I HA 0.419 4.588 4.170 -0.002 0.000 0.284 226 I C 0.101 176.187 176.117 -0.052 0.000 1.134 226 I CA 1.608 62.876 61.300 -0.053 0.000 1.410 226 I CB -0.814 37.161 38.000 -0.042 0.000 1.392 226 I HN 1.424 nan 8.210 nan 0.000 0.545 227 S N 4.182 119.856 115.700 -0.043 0.000 3.218 227 S HA -0.172 4.297 4.470 -0.002 0.000 0.840 227 S C 0.086 174.660 174.600 -0.045 0.000 1.043 227 S CA 0.162 58.337 58.200 -0.042 0.000 1.212 227 S CB -1.099 62.072 63.200 -0.048 0.000 0.842 227 S HN 0.965 nan 8.310 nan 0.000 0.264 228 N N 1.251 119.928 118.700 -0.039 0.000 2.322 228 N HA 0.166 4.905 4.740 -0.002 0.000 0.216 228 N C -0.228 175.254 175.510 -0.046 0.000 1.144 228 N CA -0.154 52.871 53.050 -0.041 0.000 0.830 228 N CB -0.146 38.322 38.487 -0.032 0.000 1.034 228 N HN 0.553 nan 8.380 nan 0.000 0.484 229 K N 1.458 121.829 120.400 -0.049 0.000 2.416 229 K HA 0.135 4.454 4.320 -0.002 0.000 0.283 229 K C -2.405 174.146 176.600 -0.083 0.000 1.037 229 K CA -1.358 54.899 56.287 -0.050 0.000 0.995 229 K CB 0.211 32.686 32.500 -0.042 0.000 0.938 229 K HN 0.110 nan 8.250 nan 0.000 0.475 230 P HA -0.034 nan 4.420 nan 0.000 0.265 230 P C -0.830 176.258 177.300 -0.352 0.000 1.193 230 P CA -0.068 62.865 63.100 -0.280 0.000 0.765 230 P CB 0.517 32.034 31.700 -0.306 0.000 0.823 231 V N 4.850 124.511 119.914 -0.422 0.000 2.376 231 V HA 0.290 4.408 4.120 -0.002 0.000 0.287 231 V C -0.647 175.201 176.094 -0.409 0.000 1.015 231 V CA -0.674 61.441 62.300 -0.307 0.000 0.834 231 V CB 0.426 32.161 31.823 -0.147 0.000 1.001 231 V HN 0.350 nan 8.190 nan 0.000 0.428 232 Y N 3.123 123.424 120.300 0.002 0.000 2.327 232 Y HA 0.578 5.127 4.550 -0.002 0.000 0.336 232 Y C 0.256 176.142 175.900 -0.022 0.000 1.035 232 Y CA -0.867 57.238 58.100 0.009 0.000 1.165 232 Y CB 1.616 40.091 38.460 0.024 0.000 1.181 232 Y HN 0.403 nan 8.280 nan 0.000 0.494 233 V N 2.857 122.867 119.914 0.160 0.000 2.347 233 V HA 0.445 4.564 4.120 -0.002 0.000 0.280 233 V C 0.659 176.783 176.094 0.049 0.000 1.021 233 V CA -0.292 62.052 62.300 0.075 0.000 0.847 233 V CB 1.177 33.114 31.823 0.189 0.000 0.990 233 V HN 1.076 nan 8.190 nan 0.000 0.444 234 G N 3.019 111.671 108.800 -0.248 0.000 3.192 234 G HA2 0.436 4.395 3.960 -0.002 0.000 0.239 234 G HA3 0.436 4.395 3.960 -0.002 0.000 0.239 234 G C 0.271 174.548 174.900 -1.038 0.000 1.084 234 G CA 0.672 45.540 45.100 -0.386 0.000 0.784 234 G HN 0.844 nan 8.290 nan 0.000 0.540 235 S N -1.631 113.173 115.700 -1.494 0.000 2.595 235 S HA 0.275 4.744 4.470 -0.002 0.000 0.270 235 S C 0.883 175.023 174.600 -0.767 0.000 1.145 235 S CA 0.037 57.511 58.200 -1.210 0.000 0.825 235 S CB 1.210 64.107 63.200 -0.504 0.000 1.107 235 S HN 0.717 nan 8.310 nan 0.000 0.461 236 V N -0.451 119.282 119.914 -0.300 0.000 2.594 236 V HA -0.033 4.086 4.120 -0.002 0.000 0.253 236 V C 1.848 177.922 176.094 -0.033 0.000 1.069 236 V CA 2.130 64.409 62.300 -0.034 0.000 1.082 236 V CB -1.496 30.330 31.823 0.006 0.000 0.680 236 V HN 0.807 nan 8.190 nan 0.000 0.469 237 S N -0.351 115.300 115.700 -0.082 0.000 2.481 237 S HA 0.004 4.472 4.470 -0.002 0.000 0.231 237 S C 0.632 175.231 174.600 -0.002 0.000 0.996 237 S CA 0.420 58.614 58.200 -0.010 0.000 0.942 237 S CB -0.591 62.598 63.200 -0.019 0.000 0.768 237 S HN 0.668 nan 8.310 nan 0.000 0.520 238 D N 1.800 122.150 120.400 -0.084 0.000 2.525 238 D HA 0.028 4.667 4.640 -0.002 0.000 0.235 238 D C 1.203 177.481 176.300 -0.037 0.000 1.137 238 D CA 0.078 54.028 54.000 -0.084 0.000 0.868 238 D CB 0.541 41.242 40.800 -0.164 0.000 1.180 238 D HN 0.036 nan 8.370 nan 0.000 0.465 239 R N 2.526 122.998 120.500 -0.046 0.000 2.115 239 R HA -0.055 4.283 4.340 -0.002 0.000 0.226 239 R C 1.950 178.203 176.300 -0.079 0.000 1.100 239 R CA 0.230 56.304 56.100 -0.043 0.000 0.980 239 R CB -0.925 29.314 30.300 -0.102 0.000 0.875 239 R HN 0.305 nan 8.270 nan 0.000 0.445 240 V N 1.947 121.770 119.914 -0.152 0.000 2.568 240 V HA -0.174 3.945 4.120 -0.002 0.000 0.253 240 V C 2.194 178.424 176.094 0.226 0.000 1.072 240 V CA 1.210 63.496 62.300 -0.024 0.000 1.084 240 V CB -0.362 31.240 31.823 -0.369 0.000 0.676 240 V HN 0.155 nan 8.190 nan 0.000 0.469 241 I N 0.897 121.539 120.570 0.121 0.000 2.700 241 I HA -0.149 4.019 4.170 -0.002 0.000 0.261 241 I C 2.570 178.770 176.117 0.140 0.000 1.219 241 I CA 1.904 63.306 61.300 0.171 0.000 1.463 241 I CB -1.269 36.807 38.000 0.127 0.000 1.092 241 I HN 0.560 nan 8.210 nan 0.000 0.452 242 S N 0.370 116.133 115.700 0.105 0.000 2.447 242 S HA -0.050 4.419 4.470 -0.002 0.000 0.233 242 S C 1.983 176.550 174.600 -0.055 0.000 1.006 242 S CA 0.877 59.120 58.200 0.071 0.000 0.957 242 S CB -0.770 62.514 63.200 0.139 0.000 0.773 242 S HN 0.449 nan 8.310 nan 0.000 0.507 243 G N 0.639 109.294 108.800 -0.241 0.000 2.920 243 G HA2 0.227 4.186 3.960 -0.002 0.000 0.208 243 G HA3 0.227 4.186 3.960 -0.002 0.000 0.208 243 G C 0.282 175.009 174.900 -0.288 0.000 1.159 243 G CA -0.274 44.365 45.100 -0.768 0.000 0.784 243 G HN 0.487 nan 8.290 nan 0.000 0.535 244 L N 2.002 123.240 121.223 0.026 0.000 2.433 244 L HA 0.611 4.950 4.340 -0.002 0.000 0.284 244 L C 1.430 178.276 176.870 -0.040 0.000 1.120 244 L CA -0.401 54.474 54.840 0.057 0.000 0.879 244 L CB 0.532 42.684 42.059 0.155 0.000 1.232 244 L HN 0.017 nan 8.230 nan 0.000 0.454 245 A N 5.569 128.323 122.820 -0.110 0.000 1.874 245 A HA 0.170 4.488 4.320 -0.002 0.000 0.214 245 A C 0.840 178.402 177.584 -0.038 0.000 1.189 245 A CA 0.951 52.944 52.037 -0.074 0.000 0.615 245 A CB -0.100 18.843 19.000 -0.095 0.000 0.830 245 A HN 0.639 nan 8.150 nan 0.000 0.443 246 I N -0.765 119.790 120.570 -0.025 0.000 2.607 246 I HA 0.485 4.654 4.170 -0.002 0.000 0.290 246 I C -1.075 175.168 176.117 0.209 0.000 1.129 246 I CA -0.754 60.582 61.300 0.059 0.000 1.042 246 I CB 1.796 39.821 38.000 0.041 0.000 1.242 246 I HN 0.229 nan 8.210 nan 0.000 0.421 247 M N 6.597 126.260 119.600 0.105 0.000 2.478 247 M HA 0.396 4.874 4.480 -0.002 0.000 0.327 247 M C -0.692 175.570 176.300 -0.062 0.000 1.187 247 M CA -0.949 54.314 55.300 -0.061 0.000 1.022 247 M CB 1.637 34.148 32.600 -0.148 0.000 1.629 247 M HN 0.482 nan 8.290 nan 0.000 0.461 248 L N 1.560 122.470 121.223 -0.522 0.000 2.461 248 L HA 0.221 4.560 4.340 -0.002 0.000 0.272 248 L C -0.849 175.918 176.870 -0.172 0.000 1.197 248 L CA 0.336 54.955 54.840 -0.368 0.000 0.836 248 L CB 0.227 41.831 42.059 -0.758 0.000 1.105 248 L HN 0.507 nan 8.230 nan 0.000 0.477 249 F N 5.253 125.113 119.950 -0.150 0.000 2.504 249 F HA 0.214 4.741 4.527 -0.000 0.000 0.369 249 F C 0.761 176.484 175.800 -0.129 0.000 1.082 249 F CA -0.014 57.916 58.000 -0.118 0.000 1.216 249 F CB 0.426 39.375 39.000 -0.085 0.000 1.108 249 F HN 0.392 nan 8.300 nan 0.000 0.554 250 I N 4.845 124.962 120.570 -0.755 0.000 3.565 250 I HA 0.119 4.287 4.170 -0.002 0.000 0.287 250 I C 0.482 176.146 176.117 -0.756 0.000 1.193 250 I CA 0.661 61.629 61.300 -0.553 0.000 1.402 250 I CB -0.612 37.167 38.000 -0.367 0.000 1.284 250 I HN 0.707 nan 8.210 nan 0.000 0.454 251 c N -0.069 117.860 118.600 -1.118 0.000 3.216 251 c HA 0.577 5.146 4.570 -0.002 0.000 0.346 251 c C -0.448 173.346 174.090 -0.495 0.000 1.384 251 c CA -1.263 54.654 56.329 -0.686 0.000 1.208 251 c CB 1.931 44.274 42.510 -0.278 0.000 1.483 251 c HN 0.232 nan 8.230 nan 0.000 0.453 252 R N 1.132 121.570 120.500 -0.102 0.000 2.265 252 R HA 0.589 4.928 4.340 -0.002 0.000 0.319 252 R C 0.386 176.670 176.300 -0.028 0.000 1.006 252 R CA 0.122 56.221 56.100 -0.003 0.000 0.880 252 R CB 1.628 31.985 30.300 0.096 0.000 1.077 252 R HN 0.849 nan 8.270 nan 0.000 0.454 253 S N 1.376 117.054 115.700 -0.038 0.000 2.554 253 S HA -0.014 4.455 4.470 -0.002 0.000 0.290 253 S C 0.129 174.720 174.600 -0.015 0.000 1.309 253 S CA 0.294 58.474 58.200 -0.035 0.000 1.047 253 S CB 0.492 63.644 63.200 -0.079 0.000 0.828 253 S HN 0.505 nan 8.310 nan 0.000 0.509 286 D N -0.902 119.507 120.400 0.014 0.000 1.696 286 D HA -0.083 4.556 4.640 -0.002 0.000 0.209 286 D C -0.116 176.192 176.300 0.012 0.000 1.312 286 D CA 1.242 55.251 54.000 0.014 0.000 0.485 286 D CB -0.720 40.086 40.800 0.009 0.000 3.288 286 D HN 0.081 nan 8.370 nan 0.000 0.198 287 D N -0.978 119.424 120.400 0.004 0.000 3.958 287 D HA -0.327 4.312 4.640 -0.002 0.000 0.210 287 D C 1.164 177.459 176.300 -0.007 0.000 1.329 287 D CA 3.221 57.217 54.000 -0.006 0.000 2.355 287 D CB -1.366 39.426 40.800 -0.013 0.000 1.233 287 D HN 0.487 nan 8.370 nan 0.000 0.407 288 T N -0.247 114.310 114.554 0.005 0.000 12.652 288 T HA -0.370 3.979 4.350 -0.002 0.000 0.418 288 T C 0.836 175.520 174.700 -0.027 0.000 1.442 288 T CA 2.232 64.335 62.100 0.005 0.000 2.373 288 T CB -1.143 67.731 68.868 0.010 0.000 2.832 288 T HN 0.707 nan 8.240 nan 0.000 0.758 289 c N 0.952 119.537 118.600 -0.025 0.000 3.247 289 c HA 0.693 5.262 4.570 -0.002 0.000 0.375 289 c C 0.282 174.363 174.090 -0.015 0.000 1.102 289 c CA -1.152 55.153 56.329 -0.040 0.000 1.227 289 c CB 1.021 43.502 42.510 -0.047 0.000 1.586 289 c HN 1.085 nan 8.230 nan 0.000 0.544 290 A N 1.350 124.160 122.820 -0.016 0.000 2.483 290 A HA 0.460 4.778 4.320 -0.002 0.000 0.238 290 A C -0.171 177.424 177.584 0.018 0.000 1.070 290 A CA 0.530 52.567 52.037 -0.000 0.000 0.770 290 A CB 0.141 19.138 19.000 -0.005 0.000 1.008 290 A HN 0.836 nan 8.150 nan 0.000 0.497 291 D N 2.098 122.515 120.400 0.028 0.000 2.477 291 D HA 0.442 5.081 4.640 -0.002 0.000 0.239 291 D C -2.187 174.141 176.300 0.047 0.000 1.102 291 D CA -1.479 52.549 54.000 0.046 0.000 0.901 291 D CB 0.841 41.670 40.800 0.049 0.000 1.026 291 D HN 0.330 nan 8.370 nan 0.000 0.515 292 P HA 0.297 nan 4.420 nan 0.000 0.276 292 P C -0.747 176.589 177.300 0.060 0.000 1.261 292 P CA -0.404 62.724 63.100 0.048 0.000 0.800 292 P CB 1.079 32.806 31.700 0.045 0.000 1.066 293 E N 0.842 121.076 120.200 0.058 0.000 2.683 293 E HA 0.313 4.662 4.350 -0.002 0.000 0.224 293 E C -2.243 174.399 176.600 0.069 0.000 1.046 293 E CA -1.660 54.781 56.400 0.069 0.000 0.811 293 E CB 0.673 30.412 29.700 0.064 0.000 1.296 293 E HN 0.373 nan 8.360 nan 0.000 0.421 294 P HA 0.131 nan 4.420 nan 0.000 0.282 294 P C -0.688 176.666 177.300 0.090 0.000 1.249 294 P CA -0.473 62.673 63.100 0.077 0.000 0.806 294 P CB 1.041 32.789 31.700 0.081 0.000 0.984 295 T N 1.775 116.374 114.554 0.075 0.000 2.743 295 T HA 0.503 4.852 4.350 -0.002 0.000 0.292 295 T C 0.082 174.835 174.700 0.088 0.000 0.972 295 T CA -0.411 61.738 62.100 0.081 0.000 0.967 295 T CB 0.246 69.137 68.868 0.039 0.000 0.926 295 T HN 0.344 nan 8.240 nan 0.000 0.459 296 V N 1.234 121.231 119.914 0.138 0.000 3.114 296 V HA 0.682 4.801 4.120 -0.002 0.000 0.308 296 V C -0.395 175.826 176.094 0.213 0.000 1.168 296 V CA -1.719 60.667 62.300 0.142 0.000 1.015 296 V CB 1.869 33.770 31.823 0.130 0.000 1.050 296 V HN 0.707 nan 8.190 nan 0.000 0.433 297 R N 1.220 121.833 120.500 0.188 0.000 2.615 297 R HA 0.689 5.028 4.340 -0.002 0.000 0.270 297 R C -0.903 175.547 176.300 0.251 0.000 1.081 297 R CA -0.369 55.879 56.100 0.247 0.000 1.154 297 R CB 0.934 31.344 30.300 0.182 0.000 1.063 297 R HN 0.715 nan 8.270 nan 0.000 0.519 298 I N 1.282 121.998 120.570 0.242 0.000 2.411 298 I HA 0.154 4.323 4.170 -0.002 0.000 0.284 298 I C -0.184 176.069 176.117 0.226 0.000 1.012 298 I CA -0.393 61.000 61.300 0.154 0.000 1.119 298 I CB 1.817 39.709 38.000 -0.179 0.000 1.261 298 I HN 0.630 nan 8.210 nan 0.000 0.448 299 S N 3.894 119.776 115.700 0.303 0.000 2.593 299 S HA 0.962 5.430 4.470 -0.002 0.000 0.297 299 S C -0.116 174.733 174.600 0.414 0.000 1.112 299 S CA -0.383 58.011 58.200 0.323 0.000 1.043 299 S CB 2.441 65.767 63.200 0.210 0.000 1.054 299 S HN 0.795 nan 8.310 nan 0.000 0.516 300 G N 1.172 110.138 108.800 0.277 0.000 3.000 300 G HA2 0.447 4.406 3.960 -0.002 0.000 0.170 300 G HA3 0.447 4.406 3.960 -0.002 0.000 0.170 300 G C -0.772 174.028 174.900 -0.167 0.000 1.160 300 G CA -1.130 43.887 45.100 -0.137 0.000 0.945 300 G HN 0.886 nan 8.290 nan 0.000 0.593 301 R N 0.891 121.137 120.500 -0.423 0.000 2.870 301 R HA -0.109 4.230 4.340 -0.002 0.000 0.283 301 R C 0.310 176.590 176.300 -0.033 0.000 0.805 301 R CA 1.375 57.343 56.100 -0.220 0.000 1.110 301 R CB -0.403 29.744 30.300 -0.256 0.000 0.900 301 R HN 0.531 nan 8.270 nan 0.000 0.406 302 N N 2.534 121.240 118.700 0.009 0.000 2.778 302 N HA -0.227 4.512 4.740 -0.002 0.000 0.249 302 N C 0.765 176.468 175.510 0.321 0.000 1.069 302 N CA 1.759 54.848 53.050 0.065 0.000 0.831 302 N CB -1.459 37.025 38.487 -0.004 0.000 1.142 302 N HN 0.983 nan 8.380 nan 0.000 0.573 303 G N -1.500 107.505 108.800 0.343 0.000 2.175 303 G HA2 -0.317 3.642 3.960 -0.002 0.000 0.244 303 G HA3 -0.317 3.642 3.960 -0.002 0.000 0.244 303 G C 0.095 175.090 174.900 0.158 0.000 0.982 303 G CA 0.429 45.675 45.100 0.244 0.000 0.641 303 G HN 0.413 nan 8.290 nan 0.000 0.527 304 L N -0.016 121.296 121.223 0.149 0.000 2.472 304 L HA 0.496 4.835 4.340 -0.002 0.000 0.260 304 L C 0.938 177.942 176.870 0.224 0.000 1.209 304 L CA -0.654 54.277 54.840 0.151 0.000 0.817 304 L CB 0.845 42.980 42.059 0.128 0.000 1.106 304 L HN 0.235 nan 8.230 nan 0.000 0.479 305 c N 0.976 119.726 118.600 0.249 0.000 2.376 305 c HA 0.346 4.915 4.570 -0.002 0.000 0.335 305 c C 0.322 174.585 174.090 0.288 0.000 1.229 305 c CA -0.834 55.663 56.329 0.279 0.000 1.867 305 c CB 1.414 44.080 42.510 0.259 0.000 2.319 305 c HN 0.430 nan 8.230 nan 0.000 0.515 306 V N 5.417 125.459 119.914 0.214 0.000 2.452 306 V HA 0.120 4.239 4.120 -0.002 0.000 0.286 306 V C 0.586 176.869 176.094 0.315 0.000 0.995 306 V CA 0.882 63.223 62.300 0.069 0.000 1.116 306 V CB -0.505 31.082 31.823 -0.393 0.000 0.954 306 V HN 0.759 nan 8.190 nan 0.000 0.473 307 R N 3.940 124.595 120.500 0.259 0.000 2.628 307 R HA 0.543 4.882 4.340 -0.002 0.000 0.288 307 R C -1.405 174.968 176.300 0.122 0.000 0.980 307 R CA -0.719 55.511 56.100 0.216 0.000 0.891 307 R CB 2.191 32.580 30.300 0.147 0.000 1.188 307 R HN 0.475 nan 8.270 nan 0.000 0.450 308 V N 5.237 125.169 119.914 0.030 0.000 2.405 308 V HA 0.203 4.322 4.120 -0.002 0.000 0.264 308 V C 0.875 176.850 176.094 -0.198 0.000 1.048 308 V CA -0.334 61.886 62.300 -0.134 0.000 0.966 308 V CB 0.621 32.188 31.823 -0.428 0.000 1.015 308 V HN 0.680 nan 8.190 nan 0.000 0.477 309 R N 4.319 124.725 120.500 -0.157 0.000 2.537 309 R HA -0.036 4.303 4.340 -0.002 0.000 0.281 309 R C 0.426 176.598 176.300 -0.213 0.000 0.988 309 R CA 0.321 56.315 56.100 -0.177 0.000 1.077 309 R CB -0.064 30.171 30.300 -0.109 0.000 0.932 309 R HN 0.856 nan 8.270 nan 0.000 0.409 310 D N 2.816 123.049 120.400 -0.278 0.000 3.018 310 D HA -0.203 4.436 4.640 -0.002 0.000 0.224 310 D C 0.715 176.918 176.300 -0.162 0.000 1.185 310 D CA 1.860 55.721 54.000 -0.232 0.000 0.858 310 D CB -1.246 39.459 40.800 -0.159 0.000 1.112 310 D HN 0.998 nan 8.370 nan 0.000 0.415 311 G N -0.347 108.354 108.800 -0.164 0.000 2.203 311 G HA2 -0.386 3.572 3.960 -0.002 0.000 0.263 311 G HA3 -0.386 3.572 3.960 -0.002 0.000 0.263 311 G C 0.159 175.076 174.900 0.029 0.000 1.012 311 G CA 0.877 45.948 45.100 -0.049 0.000 0.749 311 G HN 0.479 nan 8.290 nan 0.000 0.512 312 K N -1.054 119.276 120.400 -0.117 0.000 2.206 312 K HA 0.572 4.891 4.320 -0.002 0.000 0.264 312 K C -0.010 176.478 176.600 -0.187 0.000 0.967 312 K CA -0.873 55.388 56.287 -0.044 0.000 0.844 312 K CB 1.040 33.507 32.500 -0.055 0.000 1.099 312 K HN 0.188 nan 8.250 nan 0.000 0.441 313 Y N 1.099 121.365 120.300 -0.057 0.000 2.584 313 Y HA 0.022 4.571 4.550 -0.002 0.000 0.254 313 Y C 0.577 176.438 175.900 -0.064 0.000 1.177 313 Y CA -0.832 57.234 58.100 -0.057 0.000 1.216 313 Y CB 0.351 38.768 38.460 -0.071 0.000 1.172 313 Y HN 0.590 nan 8.280 nan 0.000 0.529 314 N N 0.593 119.308 118.700 0.024 0.000 2.407 314 N HA -0.111 4.628 4.740 -0.002 0.000 0.250 314 N C -0.602 174.871 175.510 -0.062 0.000 1.236 314 N CA 0.043 53.079 53.050 -0.024 0.000 0.879 314 N CB 0.505 38.980 38.487 -0.021 0.000 1.088 314 N HN 0.114 nan 8.380 nan 0.000 0.450 315 N N 0.663 119.271 118.700 -0.153 0.000 2.301 315 N HA 0.089 4.828 4.740 -0.002 0.000 0.267 315 N C 1.418 176.929 175.510 0.003 0.000 1.304 315 N CA 1.544 54.421 53.050 -0.289 0.000 0.851 315 N CB 0.006 38.114 38.487 -0.632 0.000 1.070 315 N HN 0.864 nan 8.380 nan 0.000 0.483 316 G N 1.592 110.503 108.800 0.186 0.000 2.194 316 G HA2 -0.300 3.659 3.960 -0.002 0.000 0.236 316 G HA3 -0.300 3.659 3.960 -0.002 0.000 0.236 316 G C 0.331 175.375 174.900 0.240 0.000 0.987 316 G CA -0.009 45.258 45.100 0.278 0.000 0.635 316 G HN 0.717 nan 8.290 nan 0.000 0.520 317 N N 2.313 121.085 118.700 0.120 0.000 2.412 317 N HA 0.404 5.143 4.740 -0.002 0.000 0.258 317 N C -1.972 173.614 175.510 0.126 0.000 1.236 317 N CA -0.832 52.259 53.050 0.070 0.000 0.882 317 N CB 0.789 39.252 38.487 -0.040 0.000 1.066 317 N HN 0.221 nan 8.380 nan 0.000 0.465 318 P HA 0.126 nan 4.420 nan 0.000 0.272 318 P C -0.533 176.822 177.300 0.092 0.000 1.230 318 P CA -0.017 63.211 63.100 0.212 0.000 0.788 318 P CB 0.567 32.326 31.700 0.098 0.000 0.949 319 I N 2.013 122.644 120.570 0.102 0.000 2.377 319 I HA 0.307 4.475 4.170 -0.002 0.000 0.293 319 I C 0.730 176.880 176.117 0.055 0.000 0.987 319 I CA -0.298 61.031 61.300 0.049 0.000 1.185 319 I CB 1.123 39.112 38.000 -0.018 0.000 1.341 319 I HN 0.536 nan 8.210 nan 0.000 0.455 320 Q N 4.805 124.648 119.800 0.072 0.000 2.892 320 Q HA 0.712 5.051 4.340 -0.002 0.000 0.307 320 Q C -1.651 174.453 176.000 0.174 0.000 1.039 320 Q CA -1.021 54.851 55.803 0.114 0.000 0.792 320 Q CB 2.096 30.903 28.738 0.114 0.000 1.504 320 Q HN 0.288 nan 8.270 nan 0.000 0.487 321 L N 1.183 122.536 121.223 0.216 0.000 2.307 321 L HA 0.604 4.943 4.340 -0.002 0.000 0.282 321 L C -1.349 175.739 176.870 0.364 0.000 1.051 321 L CA 0.098 55.094 54.840 0.260 0.000 0.804 321 L CB 1.276 43.456 42.059 0.201 0.000 1.197 321 L HN 0.699 nan 8.230 nan 0.000 0.431 322 W N 5.705 127.065 121.300 0.101 0.000 3.464 322 W HA 0.261 4.919 4.660 -0.002 0.000 0.292 322 W C -2.795 173.778 176.519 0.090 0.000 1.262 322 W CA -1.457 55.937 57.345 0.081 0.000 1.202 322 W CB 1.880 31.383 29.460 0.072 0.000 1.334 322 W HN 0.275 nan 8.180 nan 0.000 0.561 323 P HA -0.072 nan 4.420 nan 0.000 0.267 323 P C -0.180 177.194 177.300 0.122 0.000 1.195 323 P CA 0.622 63.662 63.100 -0.099 0.000 0.773 323 P CB 0.435 31.964 31.700 -0.286 0.000 0.837 324 c N 3.546 122.213 118.600 0.112 0.000 2.514 324 c HA 0.133 4.702 4.570 -0.002 0.000 0.392 324 c C 1.965 176.129 174.090 0.125 0.000 1.294 324 c CA 0.053 56.468 56.329 0.143 0.000 1.957 324 c CB -0.503 42.078 42.510 0.119 0.000 2.541 324 c HN 0.635 nan 8.230 nan 0.000 0.569 325 K N 0.729 121.215 120.400 0.142 0.000 2.323 325 K HA -0.032 4.286 4.320 -0.002 0.000 0.197 325 K C 1.040 177.689 176.600 0.082 0.000 1.043 325 K CA 0.397 56.759 56.287 0.125 0.000 0.997 325 K CB 0.092 32.675 32.500 0.139 0.000 0.807 325 K HN 0.642 nan 8.250 nan 0.000 0.497 326 Q N -0.045 119.797 119.800 0.070 0.000 2.196 326 Q HA -0.248 4.091 4.340 -0.002 0.000 0.191 326 Q C 0.124 176.144 176.000 0.033 0.000 0.656 326 Q CA 1.922 57.753 55.803 0.047 0.000 1.453 326 Q CB -1.886 26.879 28.738 0.044 0.000 1.707 326 Q HN 0.589 nan 8.270 nan 0.000 0.731 327 N N -0.336 118.387 118.700 0.038 0.000 2.465 327 N HA 0.316 5.055 4.740 -0.002 0.000 0.294 327 N C 0.634 176.152 175.510 0.013 0.000 1.333 327 N CA 0.392 53.456 53.050 0.023 0.000 0.932 327 N CB -0.320 38.184 38.487 0.027 0.000 1.092 327 N HN 0.042 nan 8.380 nan 0.000 0.519 328 S N -3.132 112.570 115.700 0.003 0.000 2.843 328 S HA 0.228 4.697 4.470 -0.002 0.000 0.249 328 S C -1.025 173.561 174.600 -0.024 0.000 1.047 328 S CA -0.836 57.356 58.200 -0.012 0.000 1.042 328 S CB -0.696 62.493 63.200 -0.019 0.000 0.936 328 S HN 0.387 nan 8.310 nan 0.000 0.531 329 D N 1.730 122.121 120.400 -0.014 0.000 2.455 329 D HA 0.041 4.679 4.640 -0.002 0.000 0.241 329 D C 1.288 177.558 176.300 -0.049 0.000 1.138 329 D CA -0.063 53.922 54.000 -0.026 0.000 0.877 329 D CB 1.551 42.345 40.800 -0.009 0.000 1.187 329 D HN 0.070 nan 8.370 nan 0.000 0.451 330 V N 2.888 122.756 119.914 -0.077 0.000 2.809 330 V HA -0.197 3.922 4.120 -0.002 0.000 0.256 330 V C 1.801 177.805 176.094 -0.150 0.000 1.080 330 V CA 1.277 63.499 62.300 -0.131 0.000 1.102 330 V CB -0.443 31.269 31.823 -0.184 0.000 0.705 330 V HN 0.542 nan 8.190 nan 0.000 0.475 331 N N -0.313 118.352 118.700 -0.058 0.000 2.571 331 N HA -0.130 4.608 4.740 -0.002 0.000 0.189 331 N C 1.322 176.748 175.510 -0.140 0.000 1.154 331 N CA 0.728 53.749 53.050 -0.048 0.000 0.907 331 N CB 0.106 38.589 38.487 -0.006 0.000 0.977 331 N HN 0.610 nan 8.380 nan 0.000 0.449 332 Q N -0.255 119.456 119.800 -0.147 0.000 2.140 332 Q HA 0.382 4.721 4.340 -0.002 0.000 0.227 332 Q C -0.633 175.301 176.000 -0.109 0.000 0.798 332 Q CA -0.151 55.648 55.803 -0.007 0.000 0.987 332 Q CB 0.971 29.774 28.738 0.108 0.000 1.161 332 Q HN 0.270 nan 8.270 nan 0.000 0.480 333 L N 0.850 121.835 121.223 -0.396 0.000 2.296 333 L HA 0.468 4.807 4.340 -0.002 0.000 0.286 333 L C -1.282 175.252 176.870 -0.560 0.000 1.023 333 L CA -0.528 54.136 54.840 -0.292 0.000 0.812 333 L CB 0.910 42.872 42.059 -0.162 0.000 1.223 333 L HN 0.060 nan 8.230 nan 0.000 0.421 334 W N 1.856 123.167 121.300 0.019 0.000 2.554 334 W HA 0.385 5.044 4.660 -0.002 0.000 0.324 334 W C -0.222 176.313 176.519 0.026 0.000 1.018 334 W CA -0.537 56.814 57.345 0.011 0.000 1.243 334 W CB 2.074 31.519 29.460 -0.026 0.000 1.345 334 W HN 0.268 nan 8.180 nan 0.000 0.441 335 T N 4.719 119.403 114.554 0.217 0.000 2.761 335 T HA 0.329 4.678 4.350 -0.002 0.000 0.296 335 T C 0.027 174.842 174.700 0.191 0.000 0.934 335 T CA -0.355 61.840 62.100 0.158 0.000 1.091 335 T CB 0.213 69.138 68.868 0.096 0.000 0.896 335 T HN 0.142 nan 8.240 nan 0.000 0.515 336 L N 5.012 126.337 121.223 0.170 0.000 2.282 336 L HA 0.360 4.699 4.340 -0.002 0.000 0.287 336 L C 0.954 177.906 176.870 0.136 0.000 1.075 336 L CA -0.717 54.223 54.840 0.166 0.000 0.839 336 L CB 0.112 42.274 42.059 0.171 0.000 1.219 336 L HN 0.314 nan 8.230 nan 0.000 0.434 337 R N 1.945 122.526 120.500 0.135 0.000 2.490 337 R HA 0.181 4.520 4.340 -0.002 0.000 0.278 337 R C 1.116 177.480 176.300 0.106 0.000 1.069 337 R CA -0.415 55.751 56.100 0.110 0.000 1.080 337 R CB 1.009 31.372 30.300 0.104 0.000 1.030 337 R HN 0.533 nan 8.270 nan 0.000 0.491 338 R N 1.111 121.663 120.500 0.087 0.000 2.127 338 R HA -0.174 4.165 4.340 -0.002 0.000 0.238 338 R C 0.926 177.273 176.300 0.079 0.000 1.134 338 R CA 2.220 58.369 56.100 0.080 0.000 0.975 338 R CB -0.046 30.292 30.300 0.064 0.000 0.865 338 R HN 0.649 nan 8.270 nan 0.000 0.447 339 D N -1.772 118.673 120.400 0.075 0.000 2.371 339 D HA -0.003 4.635 4.640 -0.002 0.000 0.221 339 D C 1.133 177.476 176.300 0.073 0.000 0.986 339 D CA 1.040 55.079 54.000 0.065 0.000 0.899 339 D CB 0.025 40.860 40.800 0.058 0.000 0.902 339 D HN 0.385 nan 8.370 nan 0.000 0.530 340 G N -0.273 108.586 108.800 0.099 0.000 2.176 340 G HA2 -0.249 3.710 3.960 -0.002 0.000 0.232 340 G HA3 -0.249 3.710 3.960 -0.002 0.000 0.232 340 G C 0.487 175.486 174.900 0.164 0.000 0.986 340 G CA 0.364 45.536 45.100 0.120 0.000 0.643 340 G HN 0.779 nan 8.290 nan 0.000 0.522 341 T N -0.693 113.954 114.554 0.155 0.000 2.882 341 T HA 0.698 5.046 4.350 -0.002 0.000 0.287 341 T C 0.238 175.070 174.700 0.220 0.000 1.014 341 T CA -0.423 61.802 62.100 0.209 0.000 1.049 341 T CB 2.170 71.140 68.868 0.169 0.000 1.001 341 T HN 0.513 nan 8.240 nan 0.000 0.525 342 I N 1.765 122.483 120.570 0.248 0.000 2.382 342 I HA 0.417 4.586 4.170 -0.002 0.000 0.286 342 I C 0.228 176.559 176.117 0.357 0.000 1.002 342 I CA -0.804 60.617 61.300 0.200 0.000 1.135 342 I CB 1.379 39.321 38.000 -0.097 0.000 1.288 342 I HN 0.521 nan 8.210 nan 0.000 0.448 343 R N 3.878 124.609 120.500 0.384 0.000 2.534 343 R HA 0.585 4.924 4.340 -0.002 0.000 0.301 343 R C -0.855 175.531 176.300 0.143 0.000 0.961 343 R CA -0.629 55.651 56.100 0.299 0.000 0.871 343 R CB 2.348 32.744 30.300 0.161 0.000 1.170 343 R HN 0.451 nan 8.270 nan 0.000 0.446 344 S N 2.133 117.803 115.700 -0.050 0.000 2.478 344 S HA 0.331 4.800 4.470 -0.002 0.000 0.312 344 S C 0.097 174.611 174.600 -0.144 0.000 1.094 344 S CA -0.263 57.712 58.200 -0.375 0.000 1.081 344 S CB 0.582 63.243 63.200 -0.899 0.000 1.007 344 S HN 0.831 nan 8.310 nan 0.000 0.475 345 N N 3.217 121.752 118.700 -0.274 0.000 1.854 345 N HA -0.202 4.537 4.740 -0.002 0.000 0.172 345 N C 0.901 176.291 175.510 -0.201 0.000 0.700 345 N CA 2.356 55.183 53.050 -0.371 0.000 1.268 345 N CB -1.661 36.299 38.487 -0.879 0.000 1.408 345 N HN 0.758 nan 8.380 nan 0.000 0.428 346 G N 0.069 108.763 108.800 -0.177 0.000 2.944 346 G HA2 0.286 4.245 3.960 -0.002 0.000 0.220 346 G HA3 0.286 4.245 3.960 -0.002 0.000 0.220 346 G C 0.383 175.287 174.900 0.006 0.000 1.100 346 G CA 0.301 45.358 45.100 -0.073 0.000 0.780 346 G HN 0.427 nan 8.290 nan 0.000 0.539 347 K N -0.505 119.929 120.400 0.056 0.000 2.106 347 K HA 0.608 4.926 4.320 -0.002 0.000 0.246 347 K C -0.884 175.836 176.600 0.199 0.000 0.987 347 K CA -0.550 55.822 56.287 0.143 0.000 0.904 347 K CB 1.815 34.441 32.500 0.210 0.000 1.071 347 K HN 0.008 nan 8.250 nan 0.000 0.453 348 c N 1.764 120.499 118.600 0.224 0.000 2.411 348 c HA 0.370 4.939 4.570 -0.002 0.000 0.330 348 c C -0.493 173.782 174.090 0.307 0.000 1.224 348 c CA -0.934 55.553 56.329 0.263 0.000 1.770 348 c CB 0.436 43.076 42.510 0.218 0.000 2.297 348 c HN 0.703 nan 8.230 nan 0.000 0.507 349 L N 4.015 125.438 121.223 0.334 0.000 2.477 349 L HA 0.344 4.683 4.340 -0.002 0.000 0.272 349 L C 0.084 177.194 176.870 0.399 0.000 1.157 349 L CA 1.682 56.645 54.840 0.206 0.000 0.889 349 L CB 0.279 42.193 42.059 -0.242 0.000 1.158 349 L HN 0.824 nan 8.230 nan 0.000 0.473 350 T N 2.941 117.675 114.554 0.299 0.000 2.971 350 T HA 0.401 4.750 4.350 -0.002 0.000 0.304 350 T C -0.440 174.331 174.700 0.117 0.000 1.038 350 T CA -0.631 61.596 62.100 0.211 0.000 1.007 350 T CB 1.395 70.319 68.868 0.093 0.000 1.055 350 T HN 0.619 nan 8.240 nan 0.000 0.451 351 T N 1.981 116.548 114.554 0.021 0.000 2.910 351 T HA 0.200 4.548 4.350 -0.002 0.000 0.293 351 T C 1.291 175.804 174.700 -0.311 0.000 1.015 351 T CA -0.693 61.331 62.100 -0.127 0.000 1.094 351 T CB 0.809 69.562 68.868 -0.191 0.000 0.968 351 T HN 0.518 nan 8.240 nan 0.000 0.521 352 N N 0.788 119.252 118.700 -0.393 0.000 2.457 352 N HA 0.161 4.900 4.740 -0.002 0.000 0.180 352 N C 0.602 175.881 175.510 -0.386 0.000 1.050 352 N CA 0.711 53.504 53.050 -0.428 0.000 0.906 352 N CB 0.080 38.243 38.487 -0.541 0.000 0.968 352 N HN 0.957 nan 8.380 nan 0.000 0.445 353 G N -2.005 106.540 108.800 -0.425 0.000 2.441 353 G HA2 0.254 4.213 3.960 -0.002 0.000 0.294 353 G HA3 0.254 4.213 3.960 -0.002 0.000 0.294 353 G C -1.579 173.034 174.900 -0.479 0.000 1.393 353 G CA -0.659 44.122 45.100 -0.531 0.000 0.796 353 G HN 0.068 nan 8.290 nan 0.000 0.494 354 Y N 0.652 120.899 120.300 -0.089 0.000 2.756 354 Y HA 0.592 5.141 4.550 -0.002 0.000 0.300 354 Y C 1.045 176.911 175.900 -0.057 0.000 1.113 354 Y CA -0.979 57.068 58.100 -0.088 0.000 1.291 354 Y CB 0.504 38.907 38.460 -0.094 0.000 1.175 354 Y HN 0.260 nan 8.280 nan 0.000 0.534 355 S N 0.700 116.424 115.700 0.040 0.000 2.503 355 S HA 0.690 5.159 4.470 -0.002 0.000 0.301 355 S C 0.029 174.644 174.600 0.025 0.000 1.087 355 S CA -1.022 57.197 58.200 0.032 0.000 1.042 355 S CB 1.361 64.571 63.200 0.017 0.000 1.043 355 S HN 0.387 nan 8.310 nan 0.000 0.489 356 A N 1.614 124.450 122.820 0.026 0.000 2.550 356 A HA 0.437 4.756 4.320 -0.002 0.000 0.263 356 A C 1.485 179.086 177.584 0.027 0.000 1.065 356 A CA 0.843 52.895 52.037 0.025 0.000 0.786 356 A CB -1.298 17.714 19.000 0.020 0.000 0.985 356 A HN 1.744 nan 8.150 nan 0.000 0.518 357 G N 2.353 111.174 108.800 0.034 0.000 2.316 357 G HA2 -0.159 3.799 3.960 -0.002 0.000 0.203 357 G HA3 -0.159 3.799 3.960 -0.002 0.000 0.203 357 G C -0.040 174.897 174.900 0.061 0.000 0.999 357 G CA 0.107 45.232 45.100 0.043 0.000 0.649 357 G HN 0.741 nan 8.290 nan 0.000 0.489 358 D N 0.625 121.054 120.400 0.048 0.000 2.399 358 D HA 0.493 5.132 4.640 -0.002 0.000 0.241 358 D C 0.601 176.954 176.300 0.088 0.000 1.133 358 D CA 0.171 54.205 54.000 0.056 0.000 0.890 358 D CB 0.475 41.258 40.800 -0.027 0.000 1.201 358 D HN 0.529 nan 8.370 nan 0.000 0.432 359 Y N -0.601 119.694 120.300 -0.009 0.000 2.335 359 Y HA 0.529 5.078 4.550 -0.002 0.000 0.323 359 Y C -0.699 175.206 175.900 0.008 0.000 1.224 359 Y CA -1.082 57.019 58.100 0.002 0.000 1.241 359 Y CB 0.538 38.998 38.460 0.000 0.000 1.235 359 Y HN 0.041 nan 8.280 nan 0.000 0.492 360 V N 6.614 126.480 119.914 -0.080 0.000 2.472 360 V HA 0.456 4.575 4.120 -0.002 0.000 0.290 360 V C 0.387 176.420 176.094 -0.101 0.000 1.037 360 V CA -0.729 61.491 62.300 -0.134 0.000 0.908 360 V CB 0.965 32.741 31.823 -0.078 0.000 0.985 360 V HN 1.018 nan 8.190 nan 0.000 0.454 361 M N 3.646 123.178 119.600 -0.113 0.000 2.779 361 M HA 0.663 5.141 4.480 -0.002 0.000 0.277 361 M C -1.834 174.515 176.300 0.082 0.000 1.284 361 M CA -0.846 54.463 55.300 0.015 0.000 0.801 361 M CB 2.239 34.833 32.600 -0.010 0.000 1.712 361 M HN 0.304 nan 8.290 nan 0.000 0.453 362 I N 1.483 122.116 120.570 0.105 0.000 2.396 362 I HA 0.496 4.664 4.170 -0.002 0.000 0.292 362 I C -1.401 174.836 176.117 0.200 0.000 0.999 362 I CA -0.067 61.310 61.300 0.129 0.000 1.310 362 I CB 0.948 38.937 38.000 -0.019 0.000 1.404 362 I HN 0.739 nan 8.210 nan 0.000 0.496 363 Y N 4.250 124.593 120.300 0.072 0.000 2.655 363 Y HA 0.293 4.842 4.550 -0.002 0.000 0.336 363 Y C -0.134 175.810 175.900 0.075 0.000 1.154 363 Y CA -0.970 57.163 58.100 0.056 0.000 1.055 363 Y CB 1.419 39.894 38.460 0.025 0.000 1.295 363 Y HN 0.491 nan 8.280 nan 0.000 0.465 364 D N 1.482 121.877 120.400 -0.008 0.000 2.443 364 D HA 0.080 4.719 4.640 -0.002 0.000 0.239 364 D C -0.580 175.834 176.300 0.189 0.000 1.136 364 D CA 0.563 54.606 54.000 0.072 0.000 0.879 364 D CB 0.643 41.440 40.800 -0.005 0.000 1.195 364 D HN 0.417 nan 8.370 nan 0.000 0.443 365 c N 3.020 121.696 118.600 0.127 0.000 2.514 365 c HA 0.296 4.865 4.570 -0.002 0.000 0.392 365 c C 1.048 175.194 174.090 0.094 0.000 1.294 365 c CA -0.634 55.765 56.329 0.117 0.000 1.957 365 c CB -0.428 42.140 42.510 0.096 0.000 2.541 365 c HN 0.420 nan 8.230 nan 0.000 0.569 366 R N 0.944 121.496 120.500 0.087 0.000 2.532 366 R HA 0.356 4.695 4.340 -0.002 0.000 0.272 366 R C 1.377 177.705 176.300 0.047 0.000 1.032 366 R CA -0.166 55.974 56.100 0.067 0.000 1.089 366 R CB 0.420 30.758 30.300 0.063 0.000 1.098 366 R HN 0.736 nan 8.270 nan 0.000 0.526 367 T N 0.945 115.522 114.554 0.038 0.000 3.043 367 T HA 0.057 4.406 4.350 -0.002 0.000 0.263 367 T C -0.984 173.731 174.700 0.024 0.000 1.094 367 T CA 0.511 62.629 62.100 0.029 0.000 1.127 367 T CB -0.207 68.676 68.868 0.024 0.000 0.905 367 T HN 0.430 nan 8.240 nan 0.000 0.490 368 P HA 0.279 nan 4.420 nan 0.000 0.230 368 P C -0.548 176.763 177.300 0.018 0.000 1.168 368 P CA 0.308 63.418 63.100 0.017 0.000 0.793 368 P CB 0.160 31.868 31.700 0.013 0.000 0.851 369 V N -0.548 119.381 119.914 0.024 0.000 3.556 369 V HA -0.157 3.962 4.120 -0.002 0.000 0.463 369 V C 0.517 176.617 176.094 0.010 0.000 0.681 369 V CA 0.232 62.548 62.300 0.026 0.000 1.957 369 V CB -2.908 28.933 31.823 0.029 0.000 2.397 369 V HN 0.480 nan 8.190 nan 0.000 0.496 370 T N 1.343 115.901 114.554 0.006 0.000 2.788 370 T HA 0.733 5.081 4.350 -0.002 0.000 0.287 370 T C 1.394 176.071 174.700 -0.039 0.000 1.007 370 T CA 0.269 62.361 62.100 -0.013 0.000 1.005 370 T CB 1.960 70.818 68.868 -0.016 0.000 1.012 370 T HN 1.791 nan 8.240 nan 0.000 0.530 371 A N 0.653 123.450 122.820 -0.038 0.000 1.968 371 A HA 0.334 4.652 4.320 -0.002 0.000 0.217 371 A C 2.514 180.034 177.584 -0.106 0.000 1.169 371 A CA 1.239 53.228 52.037 -0.079 0.000 0.638 371 A CB -1.339 17.606 19.000 -0.093 0.000 0.812 371 A HN 1.246 nan 8.150 nan 0.000 0.446 372 A N 0.125 122.923 122.820 -0.036 0.000 2.209 372 A HA 0.105 4.424 4.320 -0.002 0.000 0.212 372 A C 2.036 179.469 177.584 -0.251 0.000 1.158 372 A CA 1.613 53.582 52.037 -0.114 0.000 0.742 372 A CB -0.529 18.372 19.000 -0.165 0.000 0.790 372 A HN 0.923 nan 8.150 nan 0.000 0.472 373 S N -0.979 114.606 115.700 -0.192 0.000 2.559 373 S HA 0.335 4.804 4.470 -0.002 0.000 0.226 373 S C 0.242 174.739 174.600 -0.173 0.000 1.000 373 S CA -0.446 57.697 58.200 -0.095 0.000 0.948 373 S CB -0.068 63.161 63.200 0.049 0.000 0.870 373 S HN 0.201 nan 8.310 nan 0.000 0.497 374 I N 2.251 122.602 120.570 -0.365 0.000 2.342 374 I HA 0.479 4.648 4.170 -0.002 0.000 0.291 374 I C -0.982 174.812 176.117 -0.539 0.000 1.010 374 I CA -0.769 60.369 61.300 -0.270 0.000 1.308 374 I CB -0.255 37.651 38.000 -0.156 0.000 1.400 374 I HN 0.336 nan 8.210 nan 0.000 0.488 375 W N 4.078 125.340 121.300 -0.064 0.000 3.022 375 W HA 0.518 5.176 4.660 -0.002 0.000 0.335 375 W C -0.424 176.050 176.519 -0.074 0.000 1.133 375 W CA -0.615 56.658 57.345 -0.120 0.000 1.219 375 W CB 0.994 30.336 29.460 -0.198 0.000 1.409 375 W HN 0.367 nan 8.180 nan 0.000 0.507 376 Q N 2.542 122.398 119.800 0.094 0.000 2.296 376 Q HA 0.340 4.678 4.340 -0.002 0.000 0.257 376 Q C -0.998 174.983 176.000 -0.031 0.000 0.942 376 Q CA -0.476 55.370 55.803 0.072 0.000 0.939 376 Q CB 1.446 30.245 28.738 0.102 0.000 1.198 376 Q HN 0.538 nan 8.270 nan 0.000 0.429 377 F N 4.485 124.413 119.950 -0.036 0.000 2.335 377 F HA 0.264 4.790 4.527 -0.002 0.000 0.365 377 F C -0.790 175.104 175.800 0.157 0.000 1.122 377 F CA -1.141 56.834 58.000 -0.041 0.000 1.151 377 F CB 0.496 39.480 39.000 -0.026 0.000 1.282 377 F HN 0.497 nan 8.300 nan 0.000 0.513 378 W N 4.264 125.851 121.300 0.479 0.000 2.237 378 W HA 0.349 5.008 4.660 -0.001 0.000 0.335 378 W C 0.934 177.537 176.519 0.139 0.000 1.230 378 W CA -0.982 56.509 57.345 0.243 0.000 1.253 378 W CB 0.424 30.025 29.460 0.236 0.000 1.129 378 W HN 0.625 nan 8.180 nan 0.000 0.590 379 A N 2.493 125.492 122.820 0.297 0.000 1.908 379 A HA -0.277 4.042 4.320 -0.002 0.000 0.218 379 A C 1.727 179.422 177.584 0.184 0.000 1.181 379 A CA 1.913 54.035 52.037 0.142 0.000 0.627 379 A CB -1.070 18.010 19.000 0.132 0.000 0.818 379 A HN 0.776 nan 8.150 nan 0.000 0.445 380 N N -1.108 117.747 118.700 0.258 0.000 2.635 380 N HA 0.114 4.853 4.740 -0.002 0.000 0.191 380 N C 0.992 176.700 175.510 0.331 0.000 1.155 380 N CA 0.901 54.107 53.050 0.260 0.000 0.927 380 N CB -0.195 38.431 38.487 0.231 0.000 0.976 380 N HN 0.788 nan 8.380 nan 0.000 0.448 381 G N -0.423 108.631 108.800 0.424 0.000 2.134 381 G HA2 -0.205 3.754 3.960 -0.002 0.000 0.209 381 G HA3 -0.205 3.754 3.960 -0.002 0.000 0.209 381 G C -0.165 175.030 174.900 0.492 0.000 0.993 381 G CA 0.057 45.449 45.100 0.487 0.000 0.669 381 G HN 0.387 nan 8.290 nan 0.000 0.519 382 T N 0.856 115.700 114.554 0.483 0.000 2.794 382 T HA 0.629 4.978 4.350 -0.002 0.000 0.280 382 T C 0.390 175.091 174.700 0.003 0.000 0.987 382 T CA -0.200 62.046 62.100 0.244 0.000 0.993 382 T CB 1.311 70.318 68.868 0.232 0.000 0.939 382 T HN 0.281 nan 8.240 nan 0.000 0.449 383 I N 4.415 124.883 120.570 -0.170 0.000 2.330 383 I HA 0.458 4.627 4.170 -0.002 0.000 0.286 383 I C -0.328 175.637 176.117 -0.254 0.000 1.025 383 I CA -0.477 60.577 61.300 -0.410 0.000 1.197 383 I CB 0.865 38.358 38.000 -0.845 0.000 1.358 383 I HN 0.441 nan 8.210 nan 0.000 0.467 384 I N 6.003 126.385 120.570 -0.313 0.000 2.441 384 I HA 0.310 4.479 4.170 -0.002 0.000 0.295 384 I C -0.266 175.831 176.117 -0.033 0.000 0.994 384 I CA -0.642 60.513 61.300 -0.241 0.000 1.144 384 I CB 1.660 39.284 38.000 -0.627 0.000 1.314 384 I HN 0.513 nan 8.210 nan 0.000 0.445 385 N N 8.965 127.617 118.700 -0.080 0.000 2.415 385 N HA 0.295 5.034 4.740 -0.002 0.000 0.246 385 N C -2.038 173.318 175.510 -0.258 0.000 1.078 385 N CA -1.683 51.109 53.050 -0.431 0.000 0.942 385 N CB 1.193 39.291 38.487 -0.649 0.000 1.140 385 N HN 0.273 nan 8.380 nan 0.000 0.501 386 P HA -0.230 nan 4.420 nan 0.000 0.214 386 P C 1.110 178.318 177.300 -0.153 0.000 1.163 386 P CA 1.190 64.221 63.100 -0.115 0.000 0.889 386 P CB 0.179 31.831 31.700 -0.079 0.000 0.790 387 Q N 0.574 120.237 119.800 -0.228 0.000 2.152 387 Q HA -0.175 4.164 4.340 -0.002 0.000 0.206 387 Q C 1.733 177.537 176.000 -0.327 0.000 0.985 387 Q CA 2.638 58.256 55.803 -0.309 0.000 0.863 387 Q CB -0.739 27.726 28.738 -0.455 0.000 0.904 387 Q HN 0.320 nan 8.270 nan 0.000 0.422 388 S N -2.215 113.335 115.700 -0.251 0.000 2.559 388 S HA 0.539 5.008 4.470 -0.002 0.000 0.226 388 S C 0.982 175.532 174.600 -0.084 0.000 1.000 388 S CA 0.265 58.369 58.200 -0.160 0.000 0.948 388 S CB 0.541 63.724 63.200 -0.029 0.000 0.870 388 S HN 0.726 nan 8.310 nan 0.000 0.497 389 A N 0.609 123.378 122.820 -0.084 0.000 2.767 389 A HA -0.182 4.136 4.320 -0.002 0.000 0.282 389 A C 0.280 177.838 177.584 -0.045 0.000 1.416 389 A CA 1.362 53.372 52.037 -0.045 0.000 0.932 389 A CB -2.492 16.503 19.000 -0.009 0.000 0.979 389 A HN 0.674 nan 8.150 nan 0.000 0.616 390 L N -0.494 120.703 121.223 -0.043 0.000 2.379 390 L HA 0.645 4.984 4.340 -0.002 0.000 0.269 390 L C 0.633 177.504 176.870 0.001 0.000 1.084 390 L CA -0.539 54.290 54.840 -0.017 0.000 0.802 390 L CB 1.510 43.577 42.059 0.012 0.000 1.175 390 L HN 0.459 nan 8.230 nan 0.000 0.448 391 V N 0.254 120.171 119.914 0.004 0.000 2.769 391 V HA 0.452 4.570 4.120 -0.002 0.000 0.312 391 V C -0.297 175.834 176.094 0.063 0.000 1.058 391 V CA -1.148 61.154 62.300 0.004 0.000 0.952 391 V CB 1.875 33.649 31.823 -0.080 0.000 1.019 391 V HN 0.523 nan 8.190 nan 0.000 0.445 392 L N 3.664 124.895 121.223 0.013 0.000 2.534 392 L HA 0.469 4.807 4.340 -0.002 0.000 0.271 392 L C 0.310 177.350 176.870 0.284 0.000 1.178 392 L CA 1.186 55.999 54.840 -0.044 0.000 0.907 392 L CB -0.044 41.677 42.059 -0.564 0.000 1.164 392 L HN 0.995 nan 8.230 nan 0.000 0.482 393 S N 3.375 119.205 115.700 0.217 0.000 2.548 393 S HA 0.856 5.325 4.470 -0.002 0.000 0.286 393 S C -0.641 174.079 174.600 0.201 0.000 1.098 393 S CA -0.428 57.886 58.200 0.191 0.000 0.930 393 S CB 1.880 65.128 63.200 0.081 0.000 1.070 393 S HN 0.809 nan 8.310 nan 0.000 0.480 394 A N 1.713 124.601 122.820 0.113 0.000 2.508 394 A HA 0.504 4.822 4.320 -0.002 0.000 0.336 394 A C 0.432 178.031 177.584 0.026 0.000 1.360 394 A CA -0.434 51.654 52.037 0.085 0.000 0.841 394 A CB 0.128 19.155 19.000 0.046 0.000 1.136 394 A HN 0.660 nan 8.150 nan 0.000 0.489 395 E N 0.532 120.756 120.200 0.039 0.000 2.526 395 E HA 0.030 4.379 4.350 -0.002 0.000 0.198 395 E C 0.131 176.739 176.600 0.012 0.000 1.091 395 E CA 0.713 57.126 56.400 0.021 0.000 0.880 395 E CB 0.146 29.864 29.700 0.029 0.000 0.873 395 E HN 0.565 nan 8.360 nan 0.000 0.527 396 S N -2.535 113.172 115.700 0.012 0.000 2.558 396 S HA 0.463 4.932 4.470 -0.002 0.000 0.277 396 S C 0.454 175.058 174.600 0.005 0.000 1.143 396 S CA -0.162 58.043 58.200 0.008 0.000 0.865 396 S CB 1.193 64.404 63.200 0.019 0.000 1.102 396 S HN 0.024 nan 8.310 nan 0.000 0.454 397 G N 2.387 111.184 108.800 -0.006 0.000 3.042 397 G HA2 0.146 4.105 3.960 -0.002 0.000 0.212 397 G HA3 0.146 4.105 3.960 -0.002 0.000 0.212 397 G C 0.268 175.166 174.900 -0.004 0.000 1.166 397 G CA -0.218 44.873 45.100 -0.015 0.000 0.767 397 G HN 0.786 nan 8.290 nan 0.000 0.546 398 N N 0.744 119.450 118.700 0.009 0.000 2.489 398 N HA 0.408 5.147 4.740 -0.002 0.000 0.284 398 N C -3.324 172.205 175.510 0.032 0.000 1.158 398 N CA -2.287 50.767 53.050 0.007 0.000 0.965 398 N CB 0.947 39.436 38.487 0.004 0.000 1.195 398 N HN -0.240 nan 8.380 nan 0.000 0.506 399 P HA 0.118 nan 4.420 nan 0.000 0.266 399 P C 0.256 177.655 177.300 0.164 0.000 1.195 399 P CA 0.365 63.495 63.100 0.050 0.000 0.768 399 P CB 0.335 31.945 31.700 -0.149 0.000 0.838 400 R N -1.664 119.009 120.500 0.288 0.000 3.728 400 R HA -0.110 4.229 4.340 -0.002 0.000 0.478 400 R C -0.044 176.341 176.300 0.141 0.000 0.932 400 R CA 1.157 57.406 56.100 0.248 0.000 1.317 400 R CB -2.303 28.138 30.300 0.235 0.000 1.987 400 R HN 0.725 nan 8.270 nan 0.000 0.509 401 T N -0.930 113.698 114.554 0.123 0.000 2.901 401 T HA 0.272 4.621 4.350 -0.002 0.000 0.301 401 T C 0.453 175.212 174.700 0.098 0.000 1.012 401 T CA -0.161 61.993 62.100 0.089 0.000 1.135 401 T CB 1.446 70.358 68.868 0.073 0.000 0.936 401 T HN 0.083 nan 8.240 nan 0.000 0.539 402 T N 4.955 119.554 114.554 0.075 0.000 2.851 402 T HA 0.315 4.664 4.350 -0.002 0.000 0.298 402 T C 0.312 175.074 174.700 0.102 0.000 0.977 402 T CA -0.747 61.402 62.100 0.082 0.000 1.126 402 T CB 0.244 69.141 68.868 0.047 0.000 0.916 402 T HN 0.390 nan 8.240 nan 0.000 0.529 403 L N 4.226 125.512 121.223 0.105 0.000 2.426 403 L HA 0.411 4.749 4.340 -0.002 0.000 0.271 403 L C 1.153 178.081 176.870 0.096 0.000 1.169 403 L CA 0.366 55.258 54.840 0.087 0.000 0.836 403 L CB 0.431 42.492 42.059 0.004 0.000 1.112 403 L HN 0.920 nan 8.230 nan 0.000 0.465 404 T N -0.514 114.091 114.554 0.085 0.000 2.906 404 T HA 0.749 5.098 4.350 -0.002 0.000 0.295 404 T C -0.419 174.323 174.700 0.071 0.000 1.075 404 T CA -0.908 61.244 62.100 0.087 0.000 1.005 404 T CB 1.537 70.458 68.868 0.087 0.000 1.136 404 T HN 0.411 nan 8.240 nan 0.000 0.498 405 V N 0.128 120.087 119.914 0.074 0.000 2.509 405 V HA 0.766 4.885 4.120 -0.002 0.000 0.284 405 V C -0.535 175.592 176.094 0.054 0.000 1.047 405 V CA -0.627 61.724 62.300 0.084 0.000 0.952 405 V CB 0.980 32.864 31.823 0.102 0.000 0.988 405 V HN 0.955 nan 8.190 nan 0.000 0.469 406 Q N 1.926 121.751 119.800 0.041 0.000 2.544 406 Q HA 0.682 5.021 4.340 -0.002 0.000 0.291 406 Q C -0.256 175.745 176.000 0.002 0.000 1.068 406 Q CA -0.593 55.222 55.803 0.021 0.000 0.785 406 Q CB 2.357 31.105 28.738 0.018 0.000 1.481 406 Q HN 1.152 nan 8.270 nan 0.000 0.430 407 A N 1.219 124.038 122.820 -0.002 0.000 2.546 407 A HA 0.038 4.357 4.320 -0.002 0.000 0.243 407 A C -0.030 177.530 177.584 -0.039 0.000 1.063 407 A CA 0.104 52.133 52.037 -0.013 0.000 0.757 407 A CB -0.244 18.755 19.000 -0.002 0.000 0.991 407 A HN 0.499 nan 8.150 nan 0.000 0.503 408 D N 1.573 121.931 120.400 -0.070 0.000 2.401 408 D HA 0.242 4.880 4.640 -0.002 0.000 0.254 408 D C 0.761 176.994 176.300 -0.112 0.000 1.192 408 D CA 0.419 54.328 54.000 -0.152 0.000 0.885 408 D CB 0.219 40.870 40.800 -0.249 0.000 1.147 408 D HN 0.481 nan 8.370 nan 0.000 0.478 409 I N 0.509 121.020 120.570 -0.099 0.000 4.160 409 I HA 0.213 4.382 4.170 -0.002 0.000 0.325 409 I C -0.356 175.804 176.117 0.072 0.000 1.455 409 I CA -0.642 60.655 61.300 -0.005 0.000 1.142 409 I CB -0.111 37.888 38.000 -0.001 0.000 1.262 409 I HN 0.170 nan 8.210 nan 0.000 0.483 410 Y N 1.220 121.510 120.300 -0.017 0.000 3.617 410 Y HA -0.268 4.281 4.550 -0.002 0.000 0.215 410 Y C 1.241 177.081 175.900 -0.100 0.000 1.178 410 Y CA 0.295 58.373 58.100 -0.037 0.000 1.517 410 Y CB -1.947 36.489 38.460 -0.040 0.000 1.457 410 Y HN 0.575 nan 8.280 nan 0.000 0.615 411 A N 0.305 123.128 122.820 0.006 0.000 2.406 411 A HA 0.408 4.727 4.320 -0.002 0.000 0.243 411 A C 1.470 179.000 177.584 -0.091 0.000 1.082 411 A CA 0.142 52.144 52.037 -0.058 0.000 0.786 411 A CB 0.248 19.213 19.000 -0.058 0.000 1.029 411 A HN 0.699 nan 8.150 nan 0.000 0.495 412 S N 1.149 116.776 115.700 -0.121 0.000 2.368 412 S HA -0.214 4.255 4.470 -0.002 0.000 0.225 412 S C 1.843 176.312 174.600 -0.219 0.000 1.030 412 S CA 1.194 59.307 58.200 -0.145 0.000 0.999 412 S CB -0.551 62.581 63.200 -0.112 0.000 0.844 412 S HN 0.776 nan 8.310 nan 0.000 0.459 413 R N 1.290 121.680 120.500 -0.183 0.000 2.228 413 R HA -0.211 4.128 4.340 -0.002 0.000 0.264 413 R C 1.475 177.604 176.300 -0.284 0.000 1.179 413 R CA 2.131 58.112 56.100 -0.199 0.000 0.998 413 R CB -0.288 29.947 30.300 -0.108 0.000 0.885 413 R HN 0.656 nan 8.270 nan 0.000 0.466 414 Q N -1.430 118.218 119.800 -0.254 0.000 2.172 414 Q HA 0.205 4.543 4.340 -0.002 0.000 0.217 414 Q C -0.140 175.667 176.000 -0.322 0.000 0.832 414 Q CA -0.172 55.510 55.803 -0.201 0.000 1.010 414 Q CB 1.840 30.536 28.738 -0.070 0.000 1.133 414 Q HN 0.214 nan 8.270 nan 0.000 0.489 415 G N 0.218 108.676 108.800 -0.571 0.000 2.388 415 G HA2 0.537 4.495 3.960 -0.002 0.000 0.330 415 G HA3 0.537 4.495 3.960 -0.002 0.000 0.330 415 G C -1.583 172.939 174.900 -0.629 0.000 1.142 415 G CA -0.306 44.572 45.100 -0.370 0.000 0.908 415 G HN 0.123 nan 8.290 nan 0.000 0.473 416 W N 0.303 121.659 121.300 0.094 0.000 3.213 416 W HA 0.606 5.265 4.660 -0.003 0.000 0.318 416 W C -1.161 175.546 176.519 0.313 0.000 1.248 416 W CA -0.889 56.514 57.345 0.097 0.000 1.187 416 W CB 2.465 31.829 29.460 -0.159 0.000 1.403 416 W HN 0.514 nan 8.180 nan 0.000 0.556 417 L N 2.250 123.826 121.223 0.588 0.000 2.493 417 L HA 0.857 5.196 4.340 -0.002 0.000 0.265 417 L C -0.584 176.523 176.870 0.394 0.000 0.954 417 L CA -0.556 54.546 54.840 0.436 0.000 0.844 417 L CB 1.625 43.823 42.059 0.232 0.000 1.302 417 L HN 0.552 nan 8.230 nan 0.000 0.405 418 A N 3.122 126.093 122.820 0.251 0.000 2.363 418 A HA 0.848 5.166 4.320 -0.002 0.000 0.270 418 A C 0.333 177.949 177.584 0.054 0.000 1.121 418 A CA 0.541 52.677 52.037 0.165 0.000 0.800 418 A CB 0.092 19.073 19.000 -0.032 0.000 1.052 418 A HN 1.571 nan 8.150 nan 0.000 0.493 419 G N 1.025 109.875 108.800 0.082 0.000 2.318 419 G HA2 0.049 4.008 3.960 -0.002 0.000 0.302 419 G HA3 0.049 4.008 3.960 -0.002 0.000 0.302 419 G C -0.170 174.770 174.900 0.067 0.000 1.633 419 G CA -0.317 44.804 45.100 0.036 0.000 0.965 419 G HN 0.648 nan 8.290 nan 0.000 0.698 420 N N -0.582 118.147 118.700 0.047 0.000 2.376 420 N HA -0.061 4.678 4.740 -0.002 0.000 0.177 420 N C 0.879 176.416 175.510 0.045 0.000 1.024 420 N CA 0.212 53.289 53.050 0.045 0.000 0.893 420 N CB 0.158 38.654 38.487 0.015 0.000 0.980 420 N HN 0.453 nan 8.380 nan 0.000 0.439 421 N N 0.851 119.583 118.700 0.054 0.000 2.402 421 N HA 0.004 4.743 4.740 -0.002 0.000 0.252 421 N C 0.703 176.258 175.510 0.076 0.000 1.118 421 N CA 0.083 53.185 53.050 0.086 0.000 0.945 421 N CB 0.757 39.336 38.487 0.152 0.000 1.147 421 N HN 0.042 nan 8.380 nan 0.000 0.495 422 T N -0.222 114.375 114.554 0.072 0.000 3.014 422 T HA 0.119 4.468 4.350 -0.002 0.000 0.250 422 T C 0.573 175.290 174.700 0.029 0.000 1.060 422 T CA -0.225 61.913 62.100 0.064 0.000 1.040 422 T CB -0.191 68.725 68.868 0.081 0.000 0.971 422 T HN 0.417 nan 8.240 nan 0.000 0.497 423 E N 3.815 124.034 120.200 0.032 0.000 2.415 423 E HA 0.244 4.593 4.350 -0.002 0.000 0.260 423 E C -2.503 174.082 176.600 -0.025 0.000 1.016 423 E CA -2.026 54.372 56.400 -0.004 0.000 0.924 423 E CB 0.230 29.949 29.700 0.032 0.000 0.961 423 E HN 0.224 nan 8.360 nan 0.000 0.459 424 P HA -0.080 nan 4.420 nan 0.000 0.262 424 P C -0.785 176.530 177.300 0.025 0.000 1.182 424 P CA 0.143 63.139 63.100 -0.173 0.000 0.761 424 P CB 0.147 31.515 31.700 -0.554 0.000 0.795 425 F N 4.922 124.838 119.950 -0.057 0.000 2.541 425 F HA 0.133 4.659 4.527 -0.002 0.000 0.378 425 F C -0.186 175.610 175.800 -0.007 0.000 1.068 425 F CA -0.036 57.944 58.000 -0.033 0.000 1.199 425 F CB 0.313 39.293 39.000 -0.033 0.000 1.091 425 F HN -0.000 nan 8.300 nan 0.000 0.555 426 V N 6.550 126.197 119.914 -0.445 0.000 2.370 426 V HA 0.581 4.700 4.120 -0.002 0.000 0.279 426 V C 0.101 175.855 176.094 -0.567 0.000 1.029 426 V CA -0.215 61.868 62.300 -0.361 0.000 0.870 426 V CB 1.136 32.780 31.823 -0.297 0.000 0.984 426 V HN 0.949 nan 8.190 nan 0.000 0.451 427 T N 2.762 117.126 114.554 -0.318 0.000 2.661 427 T HA 0.409 4.758 4.350 -0.002 0.000 0.305 427 T C -0.708 173.999 174.700 0.012 0.000 1.441 427 T CA -0.333 61.619 62.100 -0.246 0.000 0.999 427 T CB 1.900 70.580 68.868 -0.314 0.000 1.650 427 T HN 0.568 nan 8.240 nan 0.000 0.489 428 S N 0.915 116.643 115.700 0.046 0.000 2.585 428 S HA 0.632 5.101 4.470 -0.002 0.000 0.277 428 S C -0.317 174.380 174.600 0.162 0.000 1.241 428 S CA -0.593 57.714 58.200 0.179 0.000 1.041 428 S CB 0.464 63.723 63.200 0.099 0.000 0.987 428 S HN 0.502 nan 8.310 nan 0.000 0.512 429 I N 2.616 123.297 120.570 0.185 0.000 2.337 429 I HA 0.230 4.399 4.170 -0.002 0.000 0.285 429 I C -0.619 175.604 176.117 0.177 0.000 1.041 429 I CA -0.617 60.751 61.300 0.113 0.000 1.199 429 I CB 0.929 38.910 38.000 -0.031 0.000 1.370 429 I HN 0.258 nan 8.210 nan 0.000 0.470 430 V N 6.000 125.974 119.914 0.100 0.000 2.555 430 V HA 0.475 4.593 4.120 -0.002 0.000 0.286 430 V C 0.898 177.064 176.094 0.119 0.000 1.044 430 V CA 0.124 62.441 62.300 0.028 0.000 1.026 430 V CB 0.855 32.489 31.823 -0.316 0.000 0.981 430 V HN 0.912 nan 8.190 nan 0.000 0.480 431 G N 2.846 111.664 108.800 0.031 0.000 3.252 431 G HA2 0.484 4.442 3.960 -0.002 0.000 0.181 431 G HA3 0.484 4.442 3.960 -0.002 0.000 0.181 431 G C -0.656 174.071 174.900 -0.288 0.000 1.187 431 G CA -0.876 43.980 45.100 -0.407 0.000 0.886 431 G HN 0.457 nan 8.290 nan 0.000 0.615 432 F N 1.289 120.926 119.950 -0.523 0.000 2.623 432 F HA 0.068 4.593 4.527 -0.003 0.000 0.386 432 F C 1.151 176.886 175.800 -0.108 0.000 1.068 432 F CA 0.729 58.565 58.000 -0.273 0.000 1.265 432 F CB 0.166 39.017 39.000 -0.247 0.000 1.026 432 F HN 0.458 nan 8.300 nan 0.000 0.568 433 N N 3.047 121.312 118.700 -0.725 0.000 2.741 433 N HA -0.254 4.485 4.740 -0.002 0.000 0.251 433 N C -0.353 175.060 175.510 -0.163 0.000 1.112 433 N CA 1.416 54.162 53.050 -0.507 0.000 0.750 433 N CB -1.388 36.800 38.487 -0.498 0.000 1.119 433 N HN 0.760 nan 8.380 nan 0.000 0.561 434 D N -1.730 118.631 120.400 -0.065 0.000 2.870 434 D HA -0.207 4.432 4.640 -0.002 0.000 0.228 434 D C -0.106 176.264 176.300 0.117 0.000 1.147 434 D CA 0.946 55.014 54.000 0.113 0.000 0.757 434 D CB -1.278 39.638 40.800 0.193 0.000 1.091 434 D HN 0.521 nan 8.370 nan 0.000 0.429 435 L N -0.537 120.728 121.223 0.069 0.000 2.375 435 L HA 0.522 4.861 4.340 -0.002 0.000 0.268 435 L C 0.628 177.579 176.870 0.136 0.000 1.058 435 L CA -0.728 54.177 54.840 0.109 0.000 0.803 435 L CB 1.783 43.918 42.059 0.127 0.000 1.212 435 L HN 0.025 nan 8.230 nan 0.000 0.451 436 c N 1.927 120.619 118.600 0.154 0.000 2.382 436 c HA 0.471 5.040 4.570 -0.002 0.000 0.327 436 c C 0.493 174.708 174.090 0.207 0.000 1.250 436 c CA -0.936 55.499 56.329 0.177 0.000 1.707 436 c CB 1.174 43.777 42.510 0.155 0.000 2.272 436 c HN 0.715 nan 8.230 nan 0.000 0.506 437 M N 3.118 122.854 119.600 0.226 0.000 2.260 437 M HA 0.068 4.546 4.480 -0.002 0.000 0.348 437 M C 0.007 176.560 176.300 0.422 0.000 1.342 437 M CA 1.196 56.609 55.300 0.190 0.000 1.040 437 M CB 0.034 32.518 32.600 -0.194 0.000 1.810 437 M HN 0.691 nan 8.290 nan 0.000 0.453 438 Q N 2.205 122.151 119.800 0.243 0.000 2.356 438 Q HA 0.645 4.984 4.340 -0.002 0.000 0.270 438 Q C -1.378 174.640 176.000 0.030 0.000 1.058 438 Q CA -0.711 55.150 55.803 0.096 0.000 0.802 438 Q CB 2.132 30.771 28.738 -0.164 0.000 1.303 438 Q HN 0.821 nan 8.270 nan 0.000 0.444 439 A N 4.094 126.880 122.820 -0.056 0.000 2.404 439 A HA 0.350 4.668 4.320 -0.002 0.000 0.273 439 A C -0.784 176.657 177.584 -0.237 0.000 1.144 439 A CA -0.293 51.668 52.037 -0.127 0.000 0.806 439 A CB 0.076 18.910 19.000 -0.277 0.000 1.080 439 A HN 0.772 nan 8.150 nan 0.000 0.509 440 N N 2.869 121.412 118.700 -0.263 0.000 2.664 440 N HA 0.401 5.140 4.740 -0.002 0.000 0.257 440 N C 0.838 176.296 175.510 -0.088 0.000 1.108 440 N CA 0.477 53.369 53.050 -0.262 0.000 0.822 440 N CB 1.397 39.540 38.487 -0.573 0.000 1.199 440 N HN 1.072 nan 8.380 nan 0.000 0.529 441 G N 2.929 111.696 108.800 -0.056 0.000 2.646 441 G HA2 -0.383 3.576 3.960 -0.002 0.000 0.324 441 G HA3 -0.383 3.576 3.960 -0.002 0.000 0.324 441 G C 0.310 175.217 174.900 0.012 0.000 1.195 441 G CA 0.735 45.829 45.100 -0.010 0.000 0.976 441 G HN 0.476 nan 8.290 nan 0.000 0.546 442 D N 2.307 122.734 120.400 0.045 0.000 2.339 442 D HA 0.549 5.187 4.640 -0.002 0.000 0.217 442 D C 1.010 177.364 176.300 0.090 0.000 1.050 442 D CA 1.111 55.147 54.000 0.060 0.000 0.856 442 D CB 0.355 41.192 40.800 0.062 0.000 0.922 442 D HN 0.804 nan 8.370 nan 0.000 0.518 443 A N 0.323 123.207 122.820 0.107 0.000 2.380 443 A HA 0.741 5.060 4.320 -0.002 0.000 0.315 443 A C -0.701 176.949 177.584 0.110 0.000 1.101 443 A CA -0.597 51.545 52.037 0.175 0.000 0.771 443 A CB 2.032 21.239 19.000 0.346 0.000 1.287 443 A HN 0.056 nan 8.150 nan 0.000 0.436 444 M N 2.067 121.767 119.600 0.166 0.000 2.393 444 M HA 0.682 5.160 4.480 -0.002 0.000 0.299 444 M C -2.277 174.171 176.300 0.248 0.000 1.103 444 M CA -0.425 54.933 55.300 0.097 0.000 0.910 444 M CB 1.759 34.396 32.600 0.062 0.000 1.659 444 M HN 1.062 nan 8.290 nan 0.000 0.445 445 W N 3.821 125.170 121.300 0.080 0.000 3.275 445 W HA 0.583 5.241 4.660 -0.002 0.000 0.306 445 W C -1.803 174.797 176.519 0.135 0.000 1.259 445 W CA -1.214 56.190 57.345 0.099 0.000 1.194 445 W CB -0.285 29.242 29.460 0.112 0.000 1.375 445 W HN 0.582 nan 8.180 nan 0.000 0.564 446 V N 1.752 121.931 119.914 0.441 0.000 2.439 446 V HA 0.611 4.730 4.120 -0.002 0.000 0.271 446 V C -0.402 175.908 176.094 0.360 0.000 1.040 446 V CA -0.397 62.103 62.300 0.333 0.000 1.002 446 V CB 0.193 32.210 31.823 0.324 0.000 1.000 446 V HN 0.628 nan 8.190 nan 0.000 0.477 447 V N 4.014 124.056 119.914 0.214 0.000 3.103 447 V HA 0.446 4.565 4.120 -0.002 0.000 0.318 447 V C 0.370 176.553 176.094 0.148 0.000 1.114 447 V CA -0.748 61.673 62.300 0.203 0.000 1.020 447 V CB 1.988 33.882 31.823 0.118 0.000 1.085 447 V HN 1.100 nan 8.190 nan 0.000 0.446 448 E N 1.438 121.716 120.200 0.130 0.000 2.415 448 E HA 0.004 4.353 4.350 -0.002 0.000 0.263 448 E C -0.576 176.074 176.600 0.083 0.000 0.995 448 E CA -0.265 56.195 56.400 0.100 0.000 0.915 448 E CB 0.676 30.427 29.700 0.083 0.000 0.951 448 E HN 0.708 nan 8.360 nan 0.000 0.449 449 c N 4.603 123.256 118.600 0.088 0.000 2.657 449 c HA 0.248 4.817 4.570 -0.002 0.000 0.420 449 c C 0.217 174.342 174.090 0.059 0.000 1.323 449 c CA 0.297 56.678 56.329 0.086 0.000 1.894 449 c CB -1.202 41.379 42.510 0.118 0.000 2.681 449 c HN 0.854 nan 8.230 nan 0.000 0.613 450 E N 0.729 120.955 120.200 0.043 0.000 2.500 450 E HA 0.230 4.578 4.350 -0.002 0.000 0.288 450 E C -0.495 176.107 176.600 0.004 0.000 1.147 450 E CA -0.349 56.066 56.400 0.023 0.000 0.916 450 E CB 0.008 29.720 29.700 0.020 0.000 1.181 450 E HN 0.342 nan 8.360 nan 0.000 0.433 451 S N 1.359 117.056 115.700 -0.006 0.000 2.510 451 S HA -0.006 4.463 4.470 -0.002 0.000 0.230 451 S C 1.688 176.269 174.600 -0.031 0.000 1.066 451 S CA 0.386 58.580 58.200 -0.011 0.000 0.941 451 S CB -0.233 62.960 63.200 -0.012 0.000 0.829 451 S HN 0.517 nan 8.310 nan 0.000 0.530 452 S N 2.627 118.309 115.700 -0.031 0.000 2.461 452 S HA -0.297 4.172 4.470 -0.002 0.000 0.249 452 S C 1.574 176.143 174.600 -0.051 0.000 1.012 452 S CA 1.957 60.134 58.200 -0.039 0.000 0.982 452 S CB -0.704 62.479 63.200 -0.029 0.000 0.764 452 S HN 0.609 nan 8.310 nan 0.000 0.506 453 K N -0.324 120.045 120.400 -0.050 0.000 8.035 453 K HA -0.440 3.879 4.320 -0.002 0.000 0.472 453 K C 1.641 178.184 176.600 -0.096 0.000 0.607 453 K CA 2.470 58.715 56.287 -0.070 0.000 1.544 453 K CB -2.582 29.869 32.500 -0.082 0.000 1.045 453 K HN 0.808 nan 8.250 nan 0.000 0.979 454 A N 1.627 124.389 122.820 -0.097 0.000 1.556 454 A HA -0.432 3.887 4.320 -0.002 0.000 0.339 454 A C 1.955 179.430 177.584 -0.182 0.000 4.142 454 A CA 3.473 55.446 52.037 -0.106 0.000 0.907 454 A CB -1.584 17.376 19.000 -0.066 0.000 0.732 454 A HN 0.813 nan 8.150 nan 0.000 0.579 455 E N -0.427 119.654 120.200 -0.199 0.000 2.274 455 E HA -0.074 4.275 4.350 -0.002 0.000 0.194 455 E C 1.934 178.297 176.600 -0.396 0.000 0.996 455 E CA 1.195 57.419 56.400 -0.293 0.000 0.840 455 E CB -0.140 29.429 29.700 -0.218 0.000 0.772 455 E HN 0.869 nan 8.360 nan 0.000 0.491 456 Q N 0.207 119.859 119.800 -0.247 0.000 2.403 456 Q HA 0.107 4.446 4.340 -0.002 0.000 0.203 456 Q C -0.133 175.743 176.000 -0.206 0.000 0.932 456 Q CA 0.234 55.972 55.803 -0.108 0.000 0.945 456 Q CB 0.275 29.025 28.738 0.021 0.000 1.045 456 Q HN 0.071 nan 8.270 nan 0.000 0.511 457 K N 0.463 120.600 120.400 -0.439 0.000 2.172 457 K HA 0.281 4.600 4.320 -0.002 0.000 0.276 457 K C -1.321 174.891 176.600 -0.646 0.000 1.013 457 K CA -0.148 55.911 56.287 -0.380 0.000 0.913 457 K CB 0.827 33.109 32.500 -0.363 0.000 1.055 457 K HN -0.051 nan 8.250 nan 0.000 0.461 458 W N 0.968 122.249 121.300 -0.031 0.000 2.883 458 W HA 0.485 5.144 4.660 -0.002 0.000 0.335 458 W C -0.742 175.811 176.519 0.057 0.000 1.083 458 W CA -0.816 56.551 57.345 0.036 0.000 1.233 458 W CB 1.655 31.140 29.460 0.041 0.000 1.412 458 W HN 0.482 nan 8.180 nan 0.000 0.490 459 A N 3.967 127.006 122.820 0.365 0.000 2.249 459 A HA 0.677 4.995 4.320 -0.002 0.000 0.314 459 A C -0.809 177.027 177.584 0.420 0.000 1.290 459 A CA -0.639 51.595 52.037 0.328 0.000 0.893 459 A CB 0.106 19.358 19.000 0.420 0.000 1.165 459 A HN 0.720 nan 8.150 nan 0.000 0.530 460 L N 3.797 125.202 121.223 0.303 0.000 2.334 460 L HA 0.237 4.575 4.340 -0.002 0.000 0.286 460 L C -0.643 176.388 176.870 0.269 0.000 1.108 460 L CA -0.216 54.828 54.840 0.339 0.000 0.875 460 L CB -0.515 41.730 42.059 0.309 0.000 1.246 460 L HN 0.674 nan 8.230 nan 0.000 0.439 461 Y N 4.437 124.854 120.300 0.195 0.000 2.301 461 Y HA 0.145 4.693 4.550 -0.002 0.000 0.328 461 Y C -1.007 174.972 175.900 0.132 0.000 1.242 461 Y CA -1.350 56.836 58.100 0.144 0.000 1.323 461 Y CB 0.847 39.373 38.460 0.110 0.000 1.266 461 Y HN 0.424 nan 8.280 nan 0.000 0.527 462 P HA -0.153 nan 4.420 nan 0.000 0.225 462 P C 0.138 177.525 177.300 0.145 0.000 1.148 462 P CA 1.483 64.683 63.100 0.167 0.000 0.779 462 P CB 0.139 31.928 31.700 0.149 0.000 0.780 463 D N -1.993 118.478 120.400 0.118 0.000 2.349 463 D HA 0.161 4.799 4.640 -0.002 0.000 0.214 463 D C 1.400 177.723 176.300 0.038 0.000 1.063 463 D CA 0.333 54.322 54.000 -0.018 0.000 0.847 463 D CB -0.721 40.009 40.800 -0.117 0.000 0.933 463 D HN 0.208 nan 8.370 nan 0.000 0.513 464 G N 0.155 109.039 108.800 0.141 0.000 2.157 464 G HA2 -0.241 3.717 3.960 -0.002 0.000 0.239 464 G HA3 -0.241 3.717 3.960 -0.002 0.000 0.239 464 G C 0.288 175.314 174.900 0.210 0.000 0.982 464 G CA 0.257 45.453 45.100 0.160 0.000 0.650 464 G HN 0.794 nan 8.290 nan 0.000 0.527 465 S N 0.144 115.979 115.700 0.225 0.000 2.616 465 S HA 0.808 5.277 4.470 -0.002 0.000 0.277 465 S C 0.021 174.809 174.600 0.314 0.000 1.234 465 S CA -0.935 57.418 58.200 0.254 0.000 1.028 465 S CB 1.928 65.193 63.200 0.109 0.000 0.988 465 S HN 0.543 nan 8.310 nan 0.000 0.522 466 I N 1.995 122.732 120.570 0.278 0.000 2.339 466 I HA 0.467 4.635 4.170 -0.002 0.000 0.290 466 I C 0.389 176.682 176.117 0.294 0.000 0.994 466 I CA -0.626 60.834 61.300 0.267 0.000 1.191 466 I CB 0.719 38.743 38.000 0.041 0.000 1.343 466 I HN 0.715 nan 8.210 nan 0.000 0.458 467 R N 6.199 126.927 120.500 0.381 0.000 2.562 467 R HA 0.506 4.844 4.340 -0.002 0.000 0.298 467 R C -2.605 173.873 176.300 0.297 0.000 0.961 467 R CA -1.869 54.396 56.100 0.275 0.000 0.881 467 R CB 1.889 32.241 30.300 0.086 0.000 1.159 467 R HN 0.254 nan 8.270 nan 0.000 0.450 468 P HA -0.084 nan 4.420 nan 0.000 0.262 468 P C 0.203 177.427 177.300 -0.126 0.000 1.182 468 P CA 0.384 63.319 63.100 -0.275 0.000 0.761 468 P CB 0.408 31.959 31.700 -0.249 0.000 0.795 469 H N 4.320 123.221 119.070 -0.282 0.000 2.325 469 H HA -0.234 4.321 4.556 -0.002 0.000 0.293 469 H C 1.448 176.708 175.328 -0.113 0.000 1.106 469 H CA 2.519 58.472 56.048 -0.158 0.000 1.247 469 H CB 0.033 29.675 29.762 -0.201 0.000 1.359 469 H HN 0.502 nan 8.280 nan 0.000 0.488 470 Q N -1.134 118.533 119.800 -0.223 0.000 2.280 470 Q HA 0.090 4.428 4.340 -0.002 0.000 0.201 470 Q C -0.532 175.369 176.000 -0.165 0.000 0.890 470 Q CA 0.343 56.003 55.803 -0.238 0.000 0.947 470 Q CB 0.819 29.458 28.738 -0.166 0.000 1.081 470 Q HN 0.265 nan 8.270 nan 0.000 0.502 471 D N 0.754 121.072 120.400 -0.137 0.000 2.330 471 D HA 0.220 4.859 4.640 -0.002 0.000 0.249 471 D C -0.480 175.778 176.300 -0.070 0.000 1.306 471 D CA -0.330 53.613 54.000 -0.094 0.000 0.956 471 D CB 0.937 41.688 40.800 -0.081 0.000 1.261 471 D HN 0.060 nan 8.370 nan 0.000 0.544 472 R N 1.171 121.635 120.500 -0.060 0.000 2.391 472 R HA 0.135 4.473 4.340 -0.002 0.000 0.249 472 R C 0.430 176.659 176.300 -0.119 0.000 0.957 472 R CA 0.047 56.112 56.100 -0.057 0.000 1.093 472 R CB 0.610 30.941 30.300 0.051 0.000 1.156 472 R HN 0.136 nan 8.270 nan 0.000 0.526 473 D N 0.118 120.466 120.400 -0.086 0.000 2.346 473 D HA 0.035 4.673 4.640 -0.002 0.000 0.206 473 D C 0.101 176.357 176.300 -0.073 0.000 1.001 473 D CA 0.644 54.595 54.000 -0.082 0.000 0.871 473 D CB 0.438 41.205 40.800 -0.055 0.000 0.943 473 D HN 0.031 nan 8.370 nan 0.000 0.518 474 R N -0.335 120.131 120.500 -0.057 0.000 2.474 474 R HA 0.550 4.888 4.340 -0.002 0.000 0.295 474 R C -0.823 175.478 176.300 0.002 0.000 0.980 474 R CA -0.435 55.653 56.100 -0.020 0.000 0.934 474 R CB 1.979 32.275 30.300 -0.007 0.000 1.101 474 R HN -0.053 nan 8.270 nan 0.000 0.469 475 c N 2.606 121.225 118.600 0.031 0.000 2.493 475 c HA 0.357 4.926 4.570 -0.002 0.000 0.326 475 c C -0.426 173.730 174.090 0.109 0.000 1.200 475 c CA -0.781 55.589 56.329 0.067 0.000 1.739 475 c CB 1.235 43.775 42.510 0.050 0.000 2.300 475 c HN 0.620 nan 8.230 nan 0.000 0.500 476 L N 3.259 124.550 121.223 0.114 0.000 2.515 476 L HA 0.339 4.678 4.340 -0.002 0.000 0.281 476 L C 0.670 177.622 176.870 0.136 0.000 1.131 476 L CA 1.091 55.933 54.840 0.003 0.000 0.905 476 L CB -0.043 41.863 42.059 -0.254 0.000 1.246 476 L HN 0.856 nan 8.230 nan 0.000 0.463 477 T N 2.056 116.691 114.554 0.135 0.000 2.876 477 T HA 0.500 4.849 4.350 -0.002 0.000 0.289 477 T C -0.125 174.704 174.700 0.214 0.000 1.014 477 T CA -0.600 61.647 62.100 0.244 0.000 0.986 477 T CB 1.082 70.048 68.868 0.164 0.000 1.021 477 T HN 0.438 nan 8.240 nan 0.000 0.458 478 S N 3.308 119.191 115.700 0.305 0.000 2.531 478 S HA 0.174 4.643 4.470 -0.002 0.000 0.279 478 S C 1.577 176.265 174.600 0.147 0.000 1.305 478 S CA -0.463 57.875 58.200 0.230 0.000 1.058 478 S CB 0.924 64.272 63.200 0.248 0.000 0.899 478 S HN 0.874 nan 8.310 nan 0.000 0.493 479 T N 1.851 116.477 114.554 0.121 0.000 2.665 479 T HA -0.148 4.201 4.350 -0.002 0.000 0.268 479 T C 0.608 175.368 174.700 0.100 0.000 1.035 479 T CA 1.547 63.705 62.100 0.097 0.000 1.151 479 T CB -0.146 68.772 68.868 0.083 0.000 0.862 479 T HN 0.686 nan 8.240 nan 0.000 0.438 480 D N -0.497 119.972 120.400 0.116 0.000 2.478 480 D HA 0.265 4.904 4.640 -0.002 0.000 0.240 480 D C 0.087 176.479 176.300 0.154 0.000 1.364 480 D CA -0.489 53.593 54.000 0.136 0.000 0.987 480 D CB 0.565 41.431 40.800 0.109 0.000 1.328 480 D HN -0.200 nan 8.370 nan 0.000 0.584 481 N N 1.402 120.192 118.700 0.150 0.000 2.364 481 N HA -0.113 4.625 4.740 -0.002 0.000 0.183 481 N C 1.160 176.666 175.510 -0.007 0.000 1.022 481 N CA 1.096 54.170 53.050 0.040 0.000 0.883 481 N CB 0.093 38.533 38.487 -0.078 0.000 0.965 481 N HN 0.495 nan 8.380 nan 0.000 0.438 482 H N -2.164 116.916 119.070 0.016 0.000 2.529 482 H HA 0.157 4.712 4.556 -0.002 0.000 0.277 482 H C 0.143 175.479 175.328 0.013 0.000 0.999 482 H CA 0.238 56.291 56.048 0.008 0.000 1.256 482 H CB 0.317 30.083 29.762 0.007 0.000 1.402 482 H HN 0.021 nan 8.280 nan 0.000 0.566 483 S N 1.400 117.186 115.700 0.144 0.000 2.438 483 S HA 0.071 4.539 4.470 -0.002 0.000 0.293 483 S C -0.015 174.638 174.600 0.088 0.000 1.141 483 S CA -0.569 57.692 58.200 0.100 0.000 1.080 483 S CB 1.547 64.806 63.200 0.100 0.000 0.978 483 S HN 0.371 nan 8.310 nan 0.000 0.479 484 Q N 2.736 122.567 119.800 0.052 0.000 2.296 484 Q HA 0.430 4.769 4.340 -0.002 0.000 0.262 484 Q C 0.949 177.044 176.000 0.157 0.000 0.981 484 Q CA 0.720 56.546 55.803 0.038 0.000 0.905 484 Q CB 0.234 28.898 28.738 -0.123 0.000 1.186 484 Q HN 1.014 nan 8.270 nan 0.000 0.399 485 G N 2.615 111.600 108.800 0.307 0.000 2.179 485 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.220 485 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.220 485 G C 0.125 175.153 174.900 0.213 0.000 0.990 485 G CA 0.124 45.459 45.100 0.391 0.000 0.646 485 G HN 0.689 nan 8.290 nan 0.000 0.517 486 S N 0.539 116.343 115.700 0.173 0.000 2.515 486 S HA 0.384 4.852 4.470 -0.002 0.000 0.285 486 S C 0.835 175.508 174.600 0.120 0.000 1.265 486 S CA 0.146 58.425 58.200 0.132 0.000 1.079 486 S CB -0.009 63.270 63.200 0.131 0.000 0.877 486 S HN 1.455 nan 8.310 nan 0.000 0.493 487 I N 6.278 126.905 120.570 0.094 0.000 2.618 487 I HA 0.314 4.483 4.170 -0.002 0.000 0.284 487 I C -0.319 175.842 176.117 0.074 0.000 1.146 487 I CA 0.222 61.568 61.300 0.077 0.000 1.425 487 I CB 0.294 38.334 38.000 0.067 0.000 1.383 487 I HN 0.588 nan 8.210 nan 0.000 0.562 488 I N 8.561 129.155 120.570 0.041 0.000 2.352 488 I HA 0.285 4.454 4.170 -0.002 0.000 0.290 488 I C 0.313 176.436 176.117 0.010 0.000 1.036 488 I CA -0.138 61.161 61.300 -0.001 0.000 1.336 488 I CB 0.388 38.291 38.000 -0.162 0.000 1.407 488 I HN 0.642 nan 8.210 nan 0.000 0.497 489 I N 4.334 124.928 120.570 0.040 0.000 3.170 489 I HA 0.621 4.789 4.170 -0.002 0.000 0.312 489 I C -0.781 175.372 176.117 0.059 0.000 1.085 489 I CA -1.051 60.287 61.300 0.063 0.000 0.999 489 I CB 1.832 39.879 38.000 0.079 0.000 1.233 489 I HN 0.240 nan 8.210 nan 0.000 0.467 490 I N 1.948 122.565 120.570 0.077 0.000 2.336 490 I HA 0.538 4.707 4.170 -0.002 0.000 0.292 490 I C 0.020 176.176 176.117 0.064 0.000 0.991 490 I CA -0.026 61.324 61.300 0.084 0.000 1.227 490 I CB 1.478 39.539 38.000 0.103 0.000 1.366 490 I HN 0.645 nan 8.210 nan 0.000 0.466 491 S N 3.352 119.087 115.700 0.058 0.000 2.596 491 S HA 0.346 4.815 4.470 -0.002 0.000 0.270 491 S C -0.701 173.916 174.600 0.028 0.000 1.155 491 S CA -0.526 57.700 58.200 0.043 0.000 0.827 491 S CB 1.925 65.156 63.200 0.053 0.000 1.130 491 S HN 0.607 nan 8.310 nan 0.000 0.467 492 S N 1.148 116.857 115.700 0.015 0.000 2.563 492 S HA 0.009 4.478 4.470 -0.002 0.000 0.294 492 S C 1.296 175.892 174.600 -0.007 0.000 1.279 492 S CA -0.149 58.051 58.200 -0.001 0.000 1.069 492 S CB -0.480 62.718 63.200 -0.003 0.000 0.828 492 S HN 0.751 nan 8.310 nan 0.000 0.497 493 c N 4.354 122.937 118.600 -0.029 0.000 2.511 493 c HA 0.031 4.600 4.570 -0.002 0.000 0.277 493 c C 2.821 176.884 174.090 -0.044 0.000 1.451 493 c CA 0.549 56.850 56.329 -0.047 0.000 1.735 493 c CB -2.082 40.367 42.510 -0.101 0.000 1.704 493 c HN 1.001 nan 8.230 nan 0.000 0.571 494 S N 1.979 117.660 115.700 -0.031 0.000 2.374 494 S HA -0.128 4.341 4.470 -0.002 0.000 0.227 494 S C -0.218 174.369 174.600 -0.022 0.000 1.037 494 S CA 1.796 59.980 58.200 -0.026 0.000 1.024 494 S CB -0.791 62.399 63.200 -0.017 0.000 0.861 494 S HN 0.552 nan 8.310 nan 0.000 0.456 495 P HA 0.196 nan 4.420 nan 0.000 0.222 495 P C 0.878 178.163 177.300 -0.026 0.000 1.153 495 P CA 0.977 64.070 63.100 -0.013 0.000 0.798 495 P CB -0.502 31.198 31.700 -0.000 0.000 0.796 496 G N 0.783 109.561 108.800 -0.037 0.000 2.366 496 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.299 496 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.299 496 G C 0.364 175.228 174.900 -0.059 0.000 1.020 496 G CA 0.355 45.420 45.100 -0.059 0.000 1.026 496 G HN 0.563 nan 8.290 nan 0.000 0.512 497 S N -1.425 114.248 115.700 -0.045 0.000 2.671 497 S HA 0.567 5.035 4.470 -0.002 0.000 0.272 497 S C 1.303 175.849 174.600 -0.089 0.000 1.174 497 S CA 0.374 58.547 58.200 -0.046 0.000 1.004 497 S CB 1.000 64.190 63.200 -0.016 0.000 1.077 497 S HN 0.270 nan 8.310 nan 0.000 0.553 498 E N 0.933 121.076 120.200 -0.094 0.000 2.077 498 E HA 0.062 4.410 4.350 -0.002 0.000 0.193 498 E C 1.818 178.245 176.600 -0.289 0.000 0.989 498 E CA 1.336 57.640 56.400 -0.160 0.000 0.800 498 E CB -0.888 28.728 29.700 -0.141 0.000 0.746 498 E HN 0.816 nan 8.360 nan 0.000 0.452 499 G N -0.045 108.638 108.800 -0.195 0.000 3.155 499 G HA2 -0.134 3.825 3.960 -0.002 0.000 0.213 499 G HA3 -0.134 3.825 3.960 -0.002 0.000 0.213 499 G C 0.694 175.542 174.900 -0.086 0.000 1.196 499 G CA -0.063 44.930 45.100 -0.179 0.000 0.846 499 G HN 0.144 nan 8.290 nan 0.000 0.516 500 Q N -1.110 118.565 119.800 -0.209 0.000 2.140 500 Q HA 0.187 4.526 4.340 -0.002 0.000 0.227 500 Q C 0.676 176.564 176.000 -0.188 0.000 0.798 500 Q CA -0.341 55.454 55.803 -0.013 0.000 0.987 500 Q CB 1.252 29.999 28.738 0.015 0.000 1.161 500 Q HN 0.303 nan 8.270 nan 0.000 0.480 501 R N 0.179 120.321 120.500 -0.597 0.000 2.445 501 R HA 0.431 4.770 4.340 -0.002 0.000 0.308 501 R C -1.893 173.808 176.300 -0.998 0.000 0.961 501 R CA -0.236 55.549 56.100 -0.524 0.000 0.862 501 R CB 0.878 31.011 30.300 -0.278 0.000 1.144 501 R HN -0.083 nan 8.270 nan 0.000 0.447 502 W N 3.084 124.323 121.300 -0.101 0.000 3.032 502 W HA 0.503 5.161 4.660 -0.002 0.000 0.335 502 W C -1.229 175.162 176.519 -0.214 0.000 1.154 502 W CA -0.768 56.452 57.345 -0.208 0.000 1.204 502 W CB 2.043 31.302 29.460 -0.335 0.000 1.416 502 W HN 0.106 nan 8.180 nan 0.000 0.521 503 V N 2.330 122.235 119.914 -0.015 0.000 2.588 503 V HA 0.421 4.540 4.120 -0.002 0.000 0.304 503 V C -0.801 175.246 176.094 -0.080 0.000 1.042 503 V CA -1.193 61.104 62.300 -0.005 0.000 0.877 503 V CB 1.235 33.083 31.823 0.042 0.000 0.996 503 V HN 0.326 nan 8.190 nan 0.000 0.425 504 F N 4.745 124.762 119.950 0.112 0.000 2.444 504 F HA 0.479 5.004 4.527 -0.003 0.000 0.360 504 F C 0.645 176.499 175.800 0.090 0.000 1.106 504 F CA -0.043 58.018 58.000 0.102 0.000 1.170 504 F CB 0.669 39.733 39.000 0.105 0.000 1.113 504 F HN 0.222 nan 8.300 nan 0.000 0.521 505 M N 2.550 122.286 119.600 0.225 0.000 2.478 505 M HA 0.134 4.612 4.480 -0.002 0.000 0.327 505 M C 1.429 177.811 176.300 0.137 0.000 1.187 505 M CA -0.390 55.000 55.300 0.151 0.000 1.022 505 M CB 1.339 34.000 32.600 0.102 0.000 1.629 505 M HN 0.603 nan 8.290 nan 0.000 0.461 506 N N 1.653 120.412 118.700 0.098 0.000 2.192 506 N HA -0.205 4.534 4.740 -0.002 0.000 0.188 506 N C 0.686 176.230 175.510 0.056 0.000 1.013 506 N CA 1.988 55.078 53.050 0.068 0.000 0.863 506 N CB 0.076 38.595 38.487 0.054 0.000 0.990 506 N HN 0.686 nan 8.380 nan 0.000 0.430 507 D N -0.959 119.479 120.400 0.064 0.000 2.392 507 D HA -0.000 4.639 4.640 -0.002 0.000 0.228 507 D C 1.273 177.618 176.300 0.075 0.000 1.003 507 D CA 1.099 55.134 54.000 0.058 0.000 0.917 507 D CB -0.654 40.176 40.800 0.051 0.000 0.890 507 D HN 0.355 nan 8.370 nan 0.000 0.532 508 G N -0.426 108.438 108.800 0.106 0.000 2.175 508 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.244 508 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.244 508 G C 0.459 175.496 174.900 0.228 0.000 0.982 508 G CA 0.533 45.715 45.100 0.137 0.000 0.641 508 G HN 0.850 nan 8.290 nan 0.000 0.527 509 T N -0.967 113.719 114.554 0.220 0.000 2.899 509 T HA 0.707 5.056 4.350 -0.002 0.000 0.284 509 T C 0.363 175.199 174.700 0.226 0.000 1.004 509 T CA -0.707 61.563 62.100 0.282 0.000 1.043 509 T CB 1.936 70.913 68.868 0.183 0.000 1.013 509 T HN 0.510 nan 8.240 nan 0.000 0.518 510 I N 2.537 123.193 120.570 0.143 0.000 2.306 510 I HA 0.307 4.476 4.170 -0.002 0.000 0.288 510 I C -0.322 175.791 176.117 -0.006 0.000 1.036 510 I CA -0.885 60.311 61.300 -0.173 0.000 1.221 510 I CB 1.094 38.713 38.000 -0.635 0.000 1.385 510 I HN 0.486 nan 8.210 nan 0.000 0.472 511 L N 7.647 128.884 121.223 0.024 0.000 2.357 511 L HA 0.405 4.744 4.340 -0.002 0.000 0.273 511 L C -0.000 176.909 176.870 0.065 0.000 1.080 511 L CA 0.124 54.999 54.840 0.058 0.000 0.803 511 L CB 1.053 43.116 42.059 0.006 0.000 1.174 511 L HN 0.513 nan 8.230 nan 0.000 0.443 512 N N 4.355 123.052 118.700 -0.006 0.000 2.501 512 N HA 0.185 4.923 4.740 -0.002 0.000 0.245 512 N C -1.165 174.183 175.510 -0.270 0.000 0.974 512 N CA -0.595 52.295 53.050 -0.267 0.000 0.941 512 N CB 0.629 38.900 38.487 -0.359 0.000 1.122 512 N HN 0.437 nan 8.380 nan 0.000 0.507 513 L N 3.657 124.680 121.223 -0.333 0.000 2.490 513 L HA 0.044 4.382 4.340 -0.002 0.000 0.274 513 L C 1.349 177.962 176.870 -0.428 0.000 1.201 513 L CA 0.913 55.458 54.840 -0.492 0.000 0.869 513 L CB 0.287 41.906 42.059 -0.733 0.000 1.123 513 L HN 0.808 nan 8.230 nan 0.000 0.484 514 K N 2.161 122.335 120.400 -0.377 0.000 4.642 514 K HA -0.219 4.100 4.320 -0.002 0.000 0.455 514 K C 1.314 177.823 176.600 -0.151 0.000 0.346 514 K CA 1.292 57.491 56.287 -0.145 0.000 1.970 514 K CB -1.408 31.047 32.500 -0.075 0.000 0.543 514 K HN 0.521 nan 8.250 nan 0.000 0.546 515 N N 0.279 118.871 118.700 -0.181 0.000 2.058 515 N HA -0.005 4.734 4.740 -0.002 0.000 0.191 515 N C 1.444 176.888 175.510 -0.110 0.000 1.037 515 N CA 2.827 55.796 53.050 -0.135 0.000 0.848 515 N CB -0.534 37.886 38.487 -0.112 0.000 1.021 515 N HN 0.840 nan 8.380 nan 0.000 0.422 516 G N -1.329 107.396 108.800 -0.125 0.000 2.184 516 G HA2 -0.255 3.704 3.960 -0.002 0.000 0.264 516 G HA3 -0.255 3.704 3.960 -0.002 0.000 0.264 516 G C -0.182 174.687 174.900 -0.053 0.000 0.975 516 G CA 0.348 45.392 45.100 -0.094 0.000 0.642 516 G HN 0.223 nan 8.290 nan 0.000 0.536 517 L N -0.156 121.047 121.223 -0.033 0.000 2.416 517 L HA 0.828 5.167 4.340 -0.002 0.000 0.262 517 L C 0.741 177.670 176.870 0.098 0.000 1.093 517 L CA -1.168 53.689 54.840 0.028 0.000 0.801 517 L CB 1.657 43.739 42.059 0.039 0.000 1.191 517 L HN -0.019 nan 8.230 nan 0.000 0.459 518 V N 1.630 121.634 119.914 0.150 0.000 2.815 518 V HA 0.438 4.557 4.120 -0.002 0.000 0.314 518 V C 0.224 176.440 176.094 0.203 0.000 1.064 518 V CA -0.871 61.535 62.300 0.178 0.000 0.952 518 V CB 2.121 34.050 31.823 0.176 0.000 1.020 518 V HN 0.659 nan 8.190 nan 0.000 0.439 519 M N 4.056 123.731 119.600 0.125 0.000 2.239 519 M HA 0.240 4.719 4.480 -0.002 0.000 0.348 519 M C -0.506 175.989 176.300 0.325 0.000 1.239 519 M CA 0.717 56.031 55.300 0.023 0.000 1.114 519 M CB 0.226 32.532 32.600 -0.491 0.000 1.641 519 M HN 0.615 nan 8.290 nan 0.000 0.453 520 D N 2.591 123.154 120.400 0.272 0.000 2.970 520 D HA 0.269 4.907 4.640 -0.002 0.000 0.230 520 D C -1.534 174.841 176.300 0.125 0.000 1.276 520 D CA -0.418 53.713 54.000 0.218 0.000 0.910 520 D CB 2.107 42.989 40.800 0.136 0.000 1.590 520 D HN 0.283 nan 8.370 nan 0.000 0.551 521 V N 4.752 124.697 119.914 0.051 0.000 2.415 521 V HA 0.126 4.244 4.120 -0.002 0.000 0.267 521 V C 1.110 177.084 176.094 -0.200 0.000 1.042 521 V CA -0.560 61.715 62.300 -0.042 0.000 1.000 521 V CB 0.517 32.269 31.823 -0.118 0.000 1.015 521 V HN 0.367 nan 8.190 nan 0.000 0.478 522 K N 3.855 124.155 120.400 -0.166 0.000 2.511 522 K HA -0.064 4.254 4.320 -0.002 0.000 0.277 522 K C 1.410 177.835 176.600 -0.292 0.000 1.025 522 K CA 1.132 57.269 56.287 -0.251 0.000 1.112 522 K CB -0.038 32.354 32.500 -0.180 0.000 0.859 522 K HN 1.213 nan 8.250 nan 0.000 0.485 523 G N 3.077 111.662 108.800 -0.357 0.000 2.449 523 G HA2 -0.373 3.586 3.960 -0.002 0.000 0.304 523 G HA3 -0.373 3.586 3.960 -0.002 0.000 0.304 523 G C 0.331 175.046 174.900 -0.309 0.000 0.962 523 G CA 0.993 45.912 45.100 -0.303 0.000 0.943 523 G HN 0.709 nan 8.290 nan 0.000 0.514 524 S N -1.804 113.624 115.700 -0.453 0.000 3.477 524 S HA -0.252 4.216 4.470 -0.002 0.000 0.357 524 S C 0.214 174.555 174.600 -0.432 0.000 1.083 524 S CA 1.368 59.117 58.200 -0.751 0.000 1.042 524 S CB -0.774 61.977 63.200 -0.748 0.000 0.911 524 S HN 1.049 nan 8.310 nan 0.000 0.490 525 D N 0.442 120.693 120.400 -0.248 0.000 2.446 525 D HA 0.462 5.101 4.640 -0.002 0.000 0.251 525 D C -1.596 174.673 176.300 -0.052 0.000 1.137 525 D CA -2.408 51.533 54.000 -0.099 0.000 0.890 525 D CB 1.331 42.066 40.800 -0.110 0.000 1.071 525 D HN -0.013 nan 8.370 nan 0.000 0.528 526 P HA -0.072 nan 4.420 nan 0.000 0.223 526 P C 0.836 178.153 177.300 0.028 0.000 1.144 526 P CA 0.675 63.848 63.100 0.121 0.000 0.783 526 P CB 0.270 32.106 31.700 0.226 0.000 0.771 527 S N -0.843 114.802 115.700 -0.092 0.000 2.561 527 S HA 0.048 4.517 4.470 -0.002 0.000 0.225 527 S C 1.595 175.826 174.600 -0.616 0.000 0.977 527 S CA 0.516 58.535 58.200 -0.302 0.000 0.926 527 S CB -0.867 62.218 63.200 -0.192 0.000 0.769 527 S HN 0.184 nan 8.310 nan 0.000 0.533 528 L N 0.483 121.475 121.223 -0.386 0.000 2.492 528 L HA 0.106 4.445 4.340 -0.002 0.000 0.223 528 L C 0.210 176.863 176.870 -0.361 0.000 1.132 528 L CA 0.197 54.824 54.840 -0.355 0.000 0.850 528 L CB -0.677 41.263 42.059 -0.198 0.000 0.966 528 L HN 0.314 nan 8.230 nan 0.000 0.454 529 H N 0.053 118.922 119.070 -0.335 0.000 2.791 529 H HA -0.180 4.375 4.556 -0.002 0.000 0.302 529 H C -0.064 175.195 175.328 -0.115 0.000 1.198 529 H CA 0.578 56.301 56.048 -0.542 0.000 1.145 529 H CB -2.027 26.956 29.762 -1.299 0.000 1.385 529 H HN 0.525 nan 8.280 nan 0.000 0.409 530 Q N 0.249 120.094 119.800 0.074 0.000 2.290 530 Q HA 0.446 4.785 4.340 -0.002 0.000 0.269 530 Q C -0.283 175.770 176.000 0.089 0.000 1.016 530 Q CA -0.846 55.004 55.803 0.079 0.000 0.754 530 Q CB 2.258 30.998 28.738 0.004 0.000 1.247 530 Q HN 0.067 nan 8.270 nan 0.000 0.451 531 I N 4.852 125.489 120.570 0.112 0.000 2.321 531 I HA 0.456 4.624 4.170 -0.002 0.000 0.291 531 I C 0.268 176.405 176.117 0.032 0.000 0.998 531 I CA -0.524 60.825 61.300 0.082 0.000 1.227 531 I CB 0.549 38.579 38.000 0.049 0.000 1.368 531 I HN 0.607 nan 8.210 nan 0.000 0.466 532 I N 3.711 124.306 120.570 0.042 0.000 3.264 532 I HA 0.617 4.786 4.170 -0.002 0.000 0.309 532 I C -0.814 175.381 176.117 0.130 0.000 1.099 532 I CA -0.996 60.350 61.300 0.076 0.000 0.989 532 I CB 2.423 40.472 38.000 0.082 0.000 1.250 532 I HN 0.095 nan 8.210 nan 0.000 0.478 533 I N 2.767 123.461 120.570 0.206 0.000 2.312 533 I HA 0.359 4.528 4.170 -0.002 0.000 0.290 533 I C -1.233 175.104 176.117 0.366 0.000 1.008 533 I CA -0.219 61.230 61.300 0.249 0.000 1.226 533 I CB 0.859 38.993 38.000 0.223 0.000 1.371 533 I HN 0.655 nan 8.210 nan 0.000 0.468 534 W N 9.314 130.652 121.300 0.062 0.000 3.167 534 W HA 0.378 5.037 4.660 -0.002 0.000 0.324 534 W C -2.628 173.916 176.519 0.042 0.000 1.230 534 W CA -1.523 55.849 57.345 0.044 0.000 1.184 534 W CB 2.727 32.209 29.460 0.037 0.000 1.414 534 W HN 0.219 nan 8.180 nan 0.000 0.551 535 P HA 0.034 nan 4.420 nan 0.000 0.269 535 P C -0.530 176.800 177.300 0.049 0.000 1.217 535 P CA 0.236 63.254 63.100 -0.136 0.000 0.783 535 P CB 0.440 31.957 31.700 -0.304 0.000 0.898 536 A N 2.063 124.911 122.820 0.046 0.000 2.444 536 A HA 0.409 4.728 4.320 -0.002 0.000 0.273 536 A C 0.990 178.629 177.584 0.092 0.000 1.136 536 A CA 0.162 52.251 52.037 0.086 0.000 0.799 536 A CB -0.895 18.137 19.000 0.054 0.000 1.081 536 A HN 0.633 nan 8.150 nan 0.000 0.509 537 T N 0.837 115.472 114.554 0.135 0.000 2.893 537 T HA 0.690 5.039 4.350 -0.002 0.000 0.279 537 T C 0.910 175.659 174.700 0.082 0.000 0.991 537 T CA -0.130 62.043 62.100 0.122 0.000 0.950 537 T CB 0.461 69.432 68.868 0.171 0.000 1.223 537 T HN 1.365 nan 8.240 nan 0.000 0.585 538 G N 1.010 109.851 108.800 0.069 0.000 2.765 538 G HA2 0.126 4.084 3.960 -0.002 0.000 0.230 538 G HA3 0.126 4.084 3.960 -0.002 0.000 0.230 538 G C 0.702 175.634 174.900 0.055 0.000 1.238 538 G CA -0.385 44.748 45.100 0.055 0.000 0.854 538 G HN 0.840 nan 8.290 nan 0.000 0.579 539 K N 1.574 122.003 120.400 0.048 0.000 2.609 539 K HA -0.239 4.079 4.320 -0.002 0.000 0.107 539 K C -0.264 176.364 176.600 0.047 0.000 0.672 539 K CA 1.800 58.116 56.287 0.048 0.000 0.841 539 K CB -1.816 30.714 32.500 0.050 0.000 0.258 539 K HN 0.360 nan 8.250 nan 0.000 1.066 540 P HA -0.089 nan 4.420 nan 0.000 0.219 540 P C 0.681 178.073 177.300 0.153 0.000 1.150 540 P CA 1.412 64.596 63.100 0.140 0.000 0.814 540 P CB -0.268 31.580 31.700 0.247 0.000 0.787 541 N N -0.121 118.547 118.700 -0.053 0.000 2.626 541 N HA -0.134 4.605 4.740 -0.002 0.000 0.193 541 N C 0.893 176.273 175.510 -0.216 0.000 1.213 541 N CA 0.747 53.596 53.050 -0.336 0.000 0.914 541 N CB -0.638 37.430 38.487 -0.697 0.000 0.994 541 N HN 0.315 nan 8.380 nan 0.000 0.447 542 Q N -0.598 119.129 119.800 -0.122 0.000 2.149 542 Q HA 0.195 4.534 4.340 -0.002 0.000 0.221 542 Q C -0.518 175.407 176.000 -0.124 0.000 0.807 542 Q CA -0.311 55.476 55.803 -0.025 0.000 1.000 542 Q CB 0.859 29.662 28.738 0.109 0.000 1.157 542 Q HN 0.187 nan 8.270 nan 0.000 0.487 543 K N 0.519 120.731 120.400 -0.314 0.000 2.201 543 K HA 0.291 4.610 4.320 -0.002 0.000 0.278 543 K C -0.923 175.364 176.600 -0.523 0.000 1.027 543 K CA 0.175 56.320 56.287 -0.236 0.000 0.909 543 K CB 0.930 33.370 32.500 -0.101 0.000 1.062 543 K HN -0.026 nan 8.250 nan 0.000 0.465 544 W N 1.985 123.333 121.300 0.079 0.000 3.031 544 W HA 0.512 5.170 4.660 -0.003 0.000 0.337 544 W C -0.950 175.626 176.519 0.096 0.000 1.187 544 W CA -0.885 56.512 57.345 0.087 0.000 1.166 544 W CB 1.176 30.703 29.460 0.112 0.000 1.437 544 W HN 0.278 nan 8.180 nan 0.000 0.551 545 L N 4.263 125.663 121.223 0.295 0.000 2.476 545 L HA 0.568 4.907 4.340 -0.002 0.000 0.269 545 L C -2.595 174.353 176.870 0.130 0.000 0.965 545 L CA -2.096 52.837 54.840 0.156 0.000 0.845 545 L CB 2.059 44.135 42.059 0.029 0.000 1.259 545 L HN 0.046 nan 8.230 nan 0.000 0.403 546 P HA 0.149 nan 4.420 nan 0.000 0.280 546 P C -0.657 176.752 177.300 0.180 0.000 1.300 546 P CA -0.366 62.702 63.100 -0.053 0.000 0.785 546 P CB 1.025 32.416 31.700 -0.515 0.000 0.874 547 L N 5.224 126.523 121.223 0.127 0.000 2.416 547 L HA 0.222 4.561 4.340 -0.002 0.000 0.272 547 L C -0.037 176.860 176.870 0.045 0.000 1.161 547 L CA -0.095 54.806 54.840 0.103 0.000 0.845 547 L CB -0.013 42.046 42.059 -0.000 0.000 1.119 547 L HN 0.250 nan 8.230 nan 0.000 0.464 548 L N 0.000 121.057 121.223 -0.277 0.000 2.949 548 L HA 0.000 4.339 4.340 -0.002 0.000 0.249 548 L CA 0.000 54.623 54.840 -0.361 0.000 0.813 548 L CB 0.000 41.536 42.059 -0.872 0.000 0.961 548 L HN 0.000 nan 8.230 nan 0.000 0.502