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 3lrb_1_A DATA FIRST_RESID 6 DATA SEQUENCE DAHKVGLIPV TLMVSGNIMG SGVFLLPANL ASTGGIAIYG WLVTIIGALG DATA SEQUENCE LSMVYAKMSF LDPSPGGSYA YARRCFGPFL GYQTNVLYWL ACWIGNIAMV DATA SEQUENCE VIGVGYLSYF FPILKDPLVL TITCVVVLWI FVLLNIVGPK MITRVQAVAT DATA SEQUENCE VLALIPIVGI AVFGWFWFRG ETYMAAWNVS GLGTFGAIQS TLNVTLWSFI DATA SEQUENCE GVESASVAAG VVKNPKRNVP IATIGGVLIA AVCYVLSTTA IMGMIPNXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXTAG AIVSFCAAAG CLGSLGGWTL LAGQTAKAAA DATA SEQUENCE DDGLFPPIFA RVNKAGTPVA GLIIVGILMT IFQLSSISPN ATKEFGLVSS DATA SEQUENCE VSVIFTLVPY LYTCAALLLL GHGHFGKARP AYLAVTTIAF LYCIWAVVGS DATA SEQUENCE GAKEVMWSFV TLMVITAMYA LNYNRLHKNP 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 6 D HA 0.000 nan 4.640 nan 0.000 0.175 6 D C 0.000 176.323 176.300 0.039 0.000 2.045 6 D CA 0.000 54.020 54.000 0.033 0.000 0.868 6 D CB 0.000 40.822 40.800 0.036 0.000 0.688 7 A N -0.607 122.249 122.820 0.060 0.000 2.680 7 A HA 0.011 4.331 4.320 0.001 0.000 0.183 7 A C 0.476 178.110 177.584 0.084 0.000 1.506 7 A CA -0.077 51.995 52.037 0.058 0.000 1.119 7 A CB -0.110 18.922 19.000 0.052 0.000 1.424 7 A HN 0.542 nan 8.150 nan 0.000 0.540 8 H N 0.726 119.800 119.070 0.008 0.000 2.592 8 H HA 0.203 4.759 4.556 0.001 0.000 0.291 8 H C -0.253 175.081 175.328 0.010 0.000 1.052 8 H CA 0.416 56.470 56.048 0.009 0.000 1.175 8 H CB 0.294 30.061 29.762 0.009 0.000 1.378 8 H HN 0.116 nan 8.280 nan 0.000 0.576 9 K N 0.599 121.013 120.400 0.023 0.000 2.826 9 K HA 0.190 4.511 4.320 0.001 0.000 0.206 9 K C 0.457 177.049 176.600 -0.014 0.000 1.116 9 K CA -0.330 55.962 56.287 0.008 0.000 1.045 9 K CB 0.613 33.133 32.500 0.033 0.000 0.758 9 K HN 0.076 nan 8.250 nan 0.000 0.465 10 V N -1.097 118.794 119.914 -0.039 0.000 0.691 10 V HA -0.077 4.043 4.120 0.001 0.000 0.092 10 V C 0.426 176.509 176.094 -0.018 0.000 0.771 10 V CA -0.058 62.221 62.300 -0.036 0.000 3.097 10 V CB -1.593 30.211 31.823 -0.031 0.000 0.183 10 V HN 0.547 nan 8.190 nan 0.000 0.069 11 G N -2.137 106.654 108.800 -0.014 0.000 2.340 11 G HA2 0.617 4.578 3.960 0.001 0.000 0.298 11 G HA3 0.617 4.578 3.960 0.001 0.000 0.298 11 G C -0.613 174.283 174.900 -0.006 0.000 1.498 11 G CA -0.007 45.089 45.100 -0.006 0.000 0.847 11 G HN 1.842 nan 8.290 nan 0.000 0.594 12 L N 0.861 122.085 121.223 0.001 0.000 1.978 12 L HA -0.072 4.268 4.340 0.001 0.000 0.218 12 L C 2.748 179.615 176.870 -0.005 0.000 1.075 12 L CA 2.459 57.301 54.840 0.002 0.000 0.767 12 L CB -0.638 41.425 42.059 0.007 0.000 0.890 12 L HN 0.664 nan 8.230 nan 0.000 0.434 13 I N -0.674 119.892 120.570 -0.006 0.000 2.226 13 I HA -0.186 3.985 4.170 0.001 0.000 0.245 13 I C -0.393 175.714 176.117 -0.017 0.000 1.100 13 I CA 1.046 62.340 61.300 -0.010 0.000 1.374 13 I CB -1.580 36.415 38.000 -0.008 0.000 1.057 13 I HN 0.306 nan 8.210 nan 0.000 0.413 14 P HA -0.055 nan 4.420 nan 0.000 0.223 14 P C 1.770 179.052 177.300 -0.031 0.000 1.151 14 P CA 0.889 63.973 63.100 -0.025 0.000 0.787 14 P CB 0.087 31.771 31.700 -0.027 0.000 0.788 15 V N -0.252 119.646 119.914 -0.026 0.000 2.379 15 V HA -0.164 3.956 4.120 0.001 0.000 0.243 15 V C 2.621 178.695 176.094 -0.034 0.000 1.035 15 V CA 2.395 64.676 62.300 -0.030 0.000 1.035 15 V CB -2.134 29.677 31.823 -0.020 0.000 0.673 15 V HN 0.242 nan 8.190 nan 0.000 0.457 16 T N -1.278 113.261 114.554 -0.024 0.000 2.881 16 T HA -0.134 4.217 4.350 0.001 0.000 0.270 16 T C 1.905 176.582 174.700 -0.038 0.000 1.068 16 T CA 1.362 63.447 62.100 -0.025 0.000 1.131 16 T CB -0.431 68.428 68.868 -0.015 0.000 0.871 16 T HN 0.337 nan 8.240 nan 0.000 0.479 17 L N -0.151 121.049 121.223 -0.040 0.000 2.093 17 L HA 0.090 4.430 4.340 0.001 0.000 0.208 17 L C 2.924 179.757 176.870 -0.061 0.000 1.085 17 L CA 1.708 56.519 54.840 -0.049 0.000 0.755 17 L CB -0.433 41.601 42.059 -0.042 0.000 0.904 17 L HN 0.374 nan 8.230 nan 0.000 0.435 18 M N -0.774 118.789 119.600 -0.063 0.000 2.175 18 M HA -0.167 4.314 4.480 0.001 0.000 0.264 18 M C 2.046 178.289 176.300 -0.095 0.000 1.063 18 M CA 1.576 56.826 55.300 -0.083 0.000 1.119 18 M CB 0.081 32.628 32.600 -0.090 0.000 1.377 18 M HN 0.028 nan 8.290 nan 0.000 0.415 19 V N -0.459 119.408 119.914 -0.080 0.000 2.358 19 V HA -0.217 3.904 4.120 0.001 0.000 0.246 19 V C 2.433 178.490 176.094 -0.062 0.000 1.047 19 V CA 2.053 64.308 62.300 -0.075 0.000 1.035 19 V CB -0.917 30.877 31.823 -0.048 0.000 0.658 19 V HN 0.605 nan 8.190 nan 0.000 0.452 20 S N 0.374 116.035 115.700 -0.065 0.000 2.402 20 S HA -0.067 4.403 4.470 0.001 0.000 0.229 20 S C 1.933 176.473 174.600 -0.100 0.000 1.021 20 S CA 1.359 59.506 58.200 -0.088 0.000 0.974 20 S CB -0.378 62.768 63.200 -0.091 0.000 0.800 20 S HN 0.660 nan 8.310 nan 0.000 0.484 21 G N 0.407 109.157 108.800 -0.083 0.000 2.623 21 G HA2 0.002 3.963 3.960 0.001 0.000 0.214 21 G HA3 0.002 3.963 3.960 0.001 0.000 0.214 21 G C 1.204 176.081 174.900 -0.039 0.000 1.138 21 G CA 0.282 45.335 45.100 -0.079 0.000 0.794 21 G HN 0.663 nan 8.290 nan 0.000 0.535 22 N N -0.142 118.557 118.700 -0.001 0.000 2.436 22 N HA 0.050 4.790 4.740 0.001 0.000 0.178 22 N C 1.689 177.308 175.510 0.182 0.000 1.026 22 N CA -0.077 53.076 53.050 0.171 0.000 0.880 22 N CB 0.136 38.685 38.487 0.102 0.000 1.061 22 N HN 0.079 nan 8.380 nan 0.000 0.434 23 I N 1.211 121.827 120.570 0.077 0.000 2.454 23 I HA -0.195 3.976 4.170 0.001 0.000 0.254 23 I C 2.293 178.369 176.117 -0.069 0.000 1.156 23 I CA 0.847 62.172 61.300 0.041 0.000 1.433 23 I CB -0.223 37.766 38.000 -0.019 0.000 1.082 23 I HN 0.185 nan 8.210 nan 0.000 0.432 24 M N -0.047 119.474 119.600 -0.132 0.000 2.399 24 M HA -0.122 4.358 4.480 0.001 0.000 0.263 24 M C 1.644 177.818 176.300 -0.210 0.000 1.067 24 M CA 2.429 57.574 55.300 -0.257 0.000 1.084 24 M CB -1.027 31.452 32.600 -0.201 0.000 1.252 24 M HN 0.316 nan 8.290 nan 0.000 0.454 25 G N -3.339 105.409 108.800 -0.086 0.000 3.482 25 G HA2 0.015 3.976 3.960 0.001 0.000 0.120 25 G HA3 0.015 3.976 3.960 0.001 0.000 0.120 25 G C 0.663 175.499 174.900 -0.108 0.000 1.169 25 G CA 0.507 45.550 45.100 -0.094 0.000 1.382 25 G HN 0.472 nan 8.290 nan 0.000 0.629 26 S N 0.767 116.405 115.700 -0.102 0.000 2.558 26 S HA 0.307 4.777 4.470 0.001 0.000 0.217 26 S C 1.968 176.529 174.600 -0.065 0.000 0.975 26 S CA 1.616 59.737 58.200 -0.132 0.000 0.912 26 S CB -0.032 63.068 63.200 -0.166 0.000 0.776 26 S HN 0.933 nan 8.310 nan 0.000 0.526 27 G N 0.712 109.496 108.800 -0.025 0.000 2.608 27 G HA2 0.106 4.066 3.960 0.001 0.000 0.210 27 G HA3 0.106 4.066 3.960 0.001 0.000 0.210 27 G C 1.269 176.242 174.900 0.121 0.000 1.139 27 G CA 0.622 45.733 45.100 0.019 0.000 0.812 27 G HN 0.392 nan 8.290 nan 0.000 0.529 28 V N 0.705 120.709 119.914 0.150 0.000 2.233 28 V HA -0.094 4.026 4.120 0.001 0.000 0.247 28 V C 1.777 177.980 176.094 0.182 0.000 1.050 28 V CA 1.010 63.425 62.300 0.192 0.000 1.010 28 V CB -0.691 31.207 31.823 0.125 0.000 0.637 28 V HN 0.274 nan 8.190 nan 0.000 0.444 29 F N 0.182 120.171 119.950 0.063 0.000 2.575 29 F HA 0.243 4.770 4.527 0.001 0.000 0.380 29 F C 0.983 176.891 175.800 0.181 0.000 1.153 29 F CA 0.684 58.765 58.000 0.135 0.000 1.360 29 F CB -0.308 38.811 39.000 0.198 0.000 1.722 29 F HN 0.014 nan 8.300 nan 0.000 0.647 30 L N -1.186 120.116 121.223 0.131 0.000 3.760 30 L HA -0.050 4.291 4.340 0.001 0.000 0.405 30 L C 1.552 178.481 176.870 0.097 0.000 0.943 30 L CA 0.092 55.005 54.840 0.121 0.000 1.739 30 L CB -0.327 41.822 42.059 0.150 0.000 2.459 30 L HN 0.085 nan 8.230 nan 0.000 0.586 31 L N 1.193 122.484 121.223 0.112 0.000 1.961 31 L HA -0.126 4.214 4.340 0.001 0.000 0.210 31 L C -0.508 176.438 176.870 0.127 0.000 1.072 31 L CA 1.982 56.911 54.840 0.147 0.000 0.749 31 L CB -1.272 40.928 42.059 0.234 0.000 0.889 31 L HN 0.143 nan 8.230 nan 0.000 0.432 32 P HA -0.245 nan 4.420 nan 0.000 0.215 32 P C 1.372 178.703 177.300 0.052 0.000 1.163 32 P CA 2.148 65.290 63.100 0.070 0.000 0.894 32 P CB -0.075 31.630 31.700 0.007 0.000 0.791 33 A N -0.838 122.000 122.820 0.029 0.000 1.972 33 A HA -0.216 4.104 4.320 0.001 0.000 0.219 33 A C 2.041 179.663 177.584 0.062 0.000 1.169 33 A CA 1.810 53.868 52.037 0.035 0.000 0.635 33 A CB -1.420 17.592 19.000 0.021 0.000 0.810 33 A HN 0.138 nan 8.150 nan 0.000 0.446 34 N N -0.091 118.663 118.700 0.090 0.000 2.364 34 N HA -0.081 4.659 4.740 0.001 0.000 0.183 34 N C 0.864 176.420 175.510 0.078 0.000 1.022 34 N CA 1.408 54.527 53.050 0.115 0.000 0.883 34 N CB -0.298 38.293 38.487 0.173 0.000 0.965 34 N HN 0.604 nan 8.380 nan 0.000 0.438 35 L N -3.522 117.741 121.223 0.067 0.000 3.062 35 L HA 0.670 5.010 4.340 0.001 0.000 0.255 35 L C 0.955 177.852 176.870 0.044 0.000 1.274 35 L CA -0.317 54.551 54.840 0.046 0.000 1.047 35 L CB 0.531 42.619 42.059 0.047 0.000 1.402 35 L HN -0.173 nan 8.230 nan 0.000 0.550 36 A N 0.011 122.856 122.820 0.041 0.000 2.026 36 A HA 0.122 4.442 4.320 0.001 0.000 0.198 36 A C 2.229 179.830 177.584 0.028 0.000 1.390 36 A CA 0.794 52.852 52.037 0.036 0.000 0.915 36 A CB -0.293 18.727 19.000 0.033 0.000 0.974 36 A HN 0.425 nan 8.150 nan 0.000 0.477 37 S N 0.904 116.619 115.700 0.026 0.000 2.423 37 S HA -0.087 4.383 4.470 0.001 0.000 0.231 37 S C 1.494 176.101 174.600 0.011 0.000 1.014 37 S CA 1.520 59.730 58.200 0.017 0.000 0.965 37 S CB -1.295 61.914 63.200 0.015 0.000 0.785 37 S HN 0.782 nan 8.310 nan 0.000 0.495 38 T N -1.774 112.787 114.554 0.012 0.000 3.051 38 T HA 0.568 4.918 4.350 0.001 0.000 0.356 38 T C 1.457 176.165 174.700 0.014 0.000 1.204 38 T CA 0.212 62.315 62.100 0.006 0.000 0.990 38 T CB -0.234 68.633 68.868 -0.002 0.000 1.628 38 T HN 1.281 nan 8.240 nan 0.000 0.550 39 G N -1.134 107.674 108.800 0.012 0.000 2.184 39 G HA2 0.077 4.038 3.960 0.001 0.000 0.206 39 G HA3 0.077 4.038 3.960 0.001 0.000 0.206 39 G C 0.380 175.276 174.900 -0.006 0.000 0.995 39 G CA 0.024 45.124 45.100 -0.000 0.000 0.651 39 G HN 1.176 nan 8.290 nan 0.000 0.511 40 G N -0.157 108.648 108.800 0.009 0.000 2.403 40 G HA2 0.594 4.555 3.960 0.001 0.000 0.259 40 G HA3 0.594 4.555 3.960 0.001 0.000 0.259 40 G C 0.766 175.661 174.900 -0.008 0.000 1.244 40 G CA 0.176 45.286 45.100 0.017 0.000 0.849 40 G HN 1.732 nan 8.290 nan 0.000 0.532 41 I N 0.510 121.071 120.570 -0.014 0.000 7.450 41 I HA -0.221 3.950 4.170 0.001 0.000 0.126 41 I C 0.997 176.998 176.117 -0.194 0.000 1.700 41 I CA 0.844 62.100 61.300 -0.072 0.000 2.278 41 I CB -0.481 37.497 38.000 -0.038 0.000 3.393 41 I HN 2.308 nan 8.210 nan 0.000 0.236 42 A N 4.013 126.650 122.820 -0.305 0.000 2.739 42 A HA -0.243 4.077 4.320 0.001 0.000 0.296 42 A C 0.864 178.369 177.584 -0.131 0.000 1.488 42 A CA 1.277 53.166 52.037 -0.246 0.000 0.746 42 A CB -2.122 16.806 19.000 -0.120 0.000 1.047 42 A HN 0.874 nan 8.150 nan 0.000 0.477 43 I N -1.453 119.013 120.570 -0.173 0.000 3.030 43 I HA -0.104 4.066 4.170 0.001 0.000 0.270 43 I C 2.084 178.316 176.117 0.191 0.000 1.211 43 I CA 0.460 61.813 61.300 0.089 0.000 1.479 43 I CB -0.316 37.711 38.000 0.044 0.000 1.105 43 I HN 0.594 nan 8.210 nan 0.000 0.447 44 Y N 1.638 121.958 120.300 0.034 0.000 2.069 44 Y HA -0.235 4.315 4.550 0.001 0.000 0.278 44 Y C 2.737 178.643 175.900 0.011 0.000 1.175 44 Y CA 0.919 59.023 58.100 0.008 0.000 1.134 44 Y CB -1.864 36.570 38.460 -0.043 0.000 0.965 44 Y HN 0.174 nan 8.280 nan 0.000 0.498 45 G N -0.861 108.005 108.800 0.110 0.000 2.606 45 G HA2 -0.330 3.630 3.960 0.001 0.000 0.221 45 G HA3 -0.330 3.630 3.960 0.001 0.000 0.221 45 G C 1.527 176.392 174.900 -0.060 0.000 1.152 45 G CA 1.344 46.412 45.100 -0.053 0.000 0.765 45 G HN 0.557 nan 8.290 nan 0.000 0.595 46 W N -0.207 121.127 121.300 0.056 0.000 2.388 46 W HA 0.129 4.789 4.660 0.001 0.000 0.294 46 W C 2.504 179.065 176.519 0.071 0.000 1.212 46 W CA 0.067 57.450 57.345 0.064 0.000 1.271 46 W CB -0.289 29.206 29.460 0.058 0.000 1.126 46 W HN 0.053 nan 8.180 nan 0.000 0.535 47 L N 0.168 121.569 121.223 0.296 0.000 2.012 47 L HA -0.203 4.137 4.340 0.001 0.000 0.210 47 L C 2.025 178.959 176.870 0.106 0.000 1.073 47 L CA 1.783 56.731 54.840 0.179 0.000 0.748 47 L CB -1.299 40.840 42.059 0.134 0.000 0.891 47 L HN -0.104 nan 8.230 nan 0.000 0.431 48 V N -0.418 119.533 119.914 0.061 0.000 2.214 48 V HA -0.359 3.762 4.120 0.001 0.000 0.247 48 V C 2.712 178.821 176.094 0.026 0.000 1.051 48 V CA 2.490 64.790 62.300 -0.002 0.000 1.003 48 V CB -1.054 30.734 31.823 -0.058 0.000 0.635 48 V HN 0.544 nan 8.190 nan 0.000 0.447 49 T N -0.506 114.067 114.554 0.032 0.000 2.699 49 T HA -0.195 4.155 4.350 0.001 0.000 0.268 49 T C 1.717 176.447 174.700 0.050 0.000 1.036 49 T CA 2.019 64.147 62.100 0.047 0.000 1.147 49 T CB -0.371 68.499 68.868 0.003 0.000 0.862 49 T HN 0.381 nan 8.240 nan 0.000 0.446 50 I N 0.231 120.879 120.570 0.131 0.000 2.315 50 I HA -0.089 4.082 4.170 0.001 0.000 0.248 50 I C 2.348 178.470 176.117 0.008 0.000 1.117 50 I CA 1.031 62.385 61.300 0.089 0.000 1.404 50 I CB -0.367 37.787 38.000 0.256 0.000 1.071 50 I HN 0.323 nan 8.210 nan 0.000 0.419 51 I N 0.896 121.488 120.570 0.037 0.000 2.127 51 I HA -0.242 3.928 4.170 0.001 0.000 0.241 51 I C 2.722 178.839 176.117 -0.000 0.000 1.075 51 I CA 1.842 63.152 61.300 0.016 0.000 1.334 51 I CB -0.944 37.066 38.000 0.016 0.000 1.040 51 I HN 0.258 nan 8.210 nan 0.000 0.405 52 G N 0.386 109.222 108.800 0.060 0.000 2.459 52 G HA2 -0.264 3.697 3.960 0.001 0.000 0.217 52 G HA3 -0.264 3.697 3.960 0.001 0.000 0.217 52 G C 1.829 176.631 174.900 -0.165 0.000 1.183 52 G CA 0.911 46.119 45.100 0.179 0.000 0.776 52 G HN 0.509 nan 8.290 nan 0.000 0.552 53 A N 0.044 122.631 122.820 -0.388 0.000 1.930 53 A HA 0.129 4.450 4.320 0.001 0.000 0.217 53 A C 2.366 179.698 177.584 -0.420 0.000 1.175 53 A CA 1.467 53.017 52.037 -0.812 0.000 0.627 53 A CB -0.403 17.817 19.000 -1.301 0.000 0.815 53 A HN 0.338 nan 8.150 nan 0.000 0.443 54 L N 0.001 121.083 121.223 -0.235 0.000 2.042 54 L HA -0.091 4.249 4.340 0.001 0.000 0.210 54 L C 2.536 179.364 176.870 -0.071 0.000 1.076 54 L CA 2.024 56.815 54.840 -0.082 0.000 0.749 54 L CB -0.822 41.226 42.059 -0.018 0.000 0.893 54 L HN 0.366 nan 8.230 nan 0.000 0.432 55 G N -1.160 107.587 108.800 -0.088 0.000 2.402 55 G HA2 -0.231 3.730 3.960 0.001 0.000 0.216 55 G HA3 -0.231 3.730 3.960 0.001 0.000 0.216 55 G C 1.655 176.511 174.900 -0.074 0.000 1.162 55 G CA 0.728 45.798 45.100 -0.050 0.000 0.777 55 G HN 0.349 nan 8.290 nan 0.000 0.539 56 L N 1.298 122.412 121.223 -0.181 0.000 2.046 56 L HA -0.123 4.217 4.340 0.001 0.000 0.208 56 L C 3.295 180.169 176.870 0.006 0.000 1.077 56 L CA 1.888 56.636 54.840 -0.153 0.000 0.747 56 L CB -0.358 41.440 42.059 -0.435 0.000 0.896 56 L HN 0.489 nan 8.230 nan 0.000 0.432 57 S N -0.549 115.127 115.700 -0.040 0.000 2.382 57 S HA -0.254 4.217 4.470 0.001 0.000 0.228 57 S C 1.953 176.595 174.600 0.070 0.000 1.027 57 S CA 1.248 59.471 58.200 0.038 0.000 0.991 57 S CB -0.251 62.968 63.200 0.031 0.000 0.823 57 S HN 0.381 nan 8.310 nan 0.000 0.469 58 M N 0.584 120.203 119.600 0.031 0.000 2.156 58 M HA -0.011 4.470 4.480 0.001 0.000 0.264 58 M C 2.291 178.588 176.300 -0.005 0.000 1.067 58 M CA 1.258 56.572 55.300 0.023 0.000 1.131 58 M CB -0.456 32.160 32.600 0.025 0.000 1.368 58 M HN 0.254 nan 8.290 nan 0.000 0.416 59 V N -0.455 119.450 119.914 -0.016 0.000 2.252 59 V HA -0.329 3.792 4.120 0.001 0.000 0.249 59 V C 2.016 178.028 176.094 -0.137 0.000 1.056 59 V CA 2.093 64.331 62.300 -0.103 0.000 1.022 59 V CB -0.828 30.928 31.823 -0.112 0.000 0.641 59 V HN 0.381 nan 8.190 nan 0.000 0.445 60 Y N 0.289 120.543 120.300 -0.077 0.000 2.145 60 Y HA -0.186 4.364 4.550 0.001 0.000 0.286 60 Y C 2.529 178.401 175.900 -0.047 0.000 1.145 60 Y CA 1.640 59.707 58.100 -0.054 0.000 1.148 60 Y CB -0.825 37.653 38.460 0.030 0.000 0.981 60 Y HN 0.192 nan 8.280 nan 0.000 0.507 61 A N -0.372 122.528 122.820 0.133 0.000 1.958 61 A HA -0.264 4.056 4.320 0.001 0.000 0.221 61 A C 1.866 179.478 177.584 0.047 0.000 1.178 61 A CA 2.287 54.372 52.037 0.081 0.000 0.642 61 A CB -0.417 18.611 19.000 0.047 0.000 0.816 61 A HN 0.280 nan 8.150 nan 0.000 0.453 62 K N -2.492 117.888 120.400 -0.033 0.000 2.374 62 K HA 0.350 4.671 4.320 0.001 0.000 0.202 62 K C 1.230 177.762 176.600 -0.114 0.000 1.040 62 K CA 0.260 56.511 56.287 -0.059 0.000 1.085 62 K CB 0.459 32.842 32.500 -0.195 0.000 0.873 62 K HN 0.430 nan 8.250 nan 0.000 0.539 63 M N -0.090 119.387 119.600 -0.206 0.000 2.447 63 M HA 0.035 4.516 4.480 0.001 0.000 0.266 63 M C 1.462 177.599 176.300 -0.271 0.000 1.120 63 M CA 1.298 56.362 55.300 -0.392 0.000 1.166 63 M CB -0.132 32.011 32.600 -0.761 0.000 1.349 63 M HN 0.057 nan 8.290 nan 0.000 0.463 64 S N -0.557 115.099 115.700 -0.074 0.000 2.428 64 S HA -0.112 4.359 4.470 0.001 0.000 0.230 64 S C 1.905 176.551 174.600 0.077 0.000 1.014 64 S CA 0.741 58.998 58.200 0.094 0.000 0.957 64 S CB -1.380 61.927 63.200 0.178 0.000 0.784 64 S HN 0.553 nan 8.310 nan 0.000 0.499 65 F N 2.076 121.995 119.950 -0.051 0.000 2.546 65 F HA 0.184 4.711 4.527 0.001 0.000 0.298 65 F C 1.452 177.211 175.800 -0.068 0.000 1.120 65 F CA 0.690 58.663 58.000 -0.045 0.000 1.456 65 F CB -0.108 38.868 39.000 -0.040 0.000 1.088 65 F HN 0.148 nan 8.300 nan 0.000 0.572 66 L N -1.157 119.996 121.223 -0.117 0.000 2.276 66 L HA 0.101 4.441 4.340 0.001 0.000 0.194 66 L C 0.251 177.013 176.870 -0.180 0.000 1.099 66 L CA 0.500 55.214 54.840 -0.210 0.000 0.800 66 L CB -0.240 41.744 42.059 -0.124 0.000 0.994 66 L HN -0.122 nan 8.230 nan 0.000 0.475 67 D N 1.064 121.425 120.400 -0.065 0.000 2.421 67 D HA 0.272 4.912 4.640 0.001 0.000 0.254 67 D C -2.757 173.625 176.300 0.136 0.000 1.238 67 D CA -1.447 52.561 54.000 0.013 0.000 0.919 67 D CB 2.445 43.275 40.800 0.051 0.000 1.152 67 D HN -0.029 nan 8.370 nan 0.000 0.552 68 P HA 0.316 nan 4.420 nan 0.000 0.215 68 P C -0.598 176.724 177.300 0.038 0.000 1.728 68 P CA -0.391 62.765 63.100 0.094 0.000 1.337 68 P CB 1.391 33.132 31.700 0.067 0.000 1.415 69 S N 2.378 118.091 115.700 0.021 0.000 4.696 69 S HA 0.355 4.826 4.470 0.001 0.000 0.185 69 S C -2.588 171.991 174.600 -0.034 0.000 1.139 69 S CA -0.132 58.068 58.200 -0.001 0.000 1.227 69 S CB -1.201 61.964 63.200 -0.058 0.000 1.682 69 S HN 0.261 nan 8.310 nan 0.000 0.551 70 P HA 0.798 nan 4.420 nan 0.000 0.304 70 P C 0.248 177.550 177.300 0.003 0.000 1.365 70 P CA 0.075 63.172 63.100 -0.004 0.000 0.935 70 P CB 1.789 33.497 31.700 0.012 0.000 1.091 71 G N 1.356 110.150 108.800 -0.011 0.000 4.099 71 G HA2 0.235 4.196 3.960 0.001 0.000 0.114 71 G HA3 0.235 4.196 3.960 0.001 0.000 0.114 71 G C 0.437 175.349 174.900 0.020 0.000 1.603 71 G CA 0.505 45.609 45.100 0.008 0.000 1.010 71 G HN 0.702 nan 8.290 nan 0.000 0.324 72 G N -0.159 108.629 108.800 -0.021 0.000 3.286 72 G HA2 0.401 4.361 3.960 0.001 0.000 0.173 72 G HA3 0.401 4.361 3.960 0.001 0.000 0.173 72 G C 1.241 175.948 174.900 -0.322 0.000 1.704 72 G CA 1.845 46.766 45.100 -0.299 0.000 1.041 72 G HN 1.747 nan 8.290 nan 0.000 0.561 73 S N -2.812 112.599 115.700 -0.481 0.000 3.017 73 S HA -0.330 4.140 4.470 0.001 0.000 0.283 73 S C 0.945 175.496 174.600 -0.083 0.000 1.304 73 S CA 2.385 60.577 58.200 -0.013 0.000 1.224 73 S CB -1.231 61.998 63.200 0.048 0.000 1.480 73 S HN 1.265 nan 8.310 nan 0.000 0.698 74 Y N -0.596 119.477 120.300 -0.378 0.000 2.652 74 Y HA 0.641 5.191 4.550 0.001 0.000 0.274 74 Y C 1.969 177.704 175.900 -0.274 0.000 1.148 74 Y CA 0.941 58.899 58.100 -0.237 0.000 1.219 74 Y CB -0.664 37.703 38.460 -0.155 0.000 1.337 74 Y HN 0.239 nan 8.280 nan 0.000 0.490 75 A N 0.868 123.339 122.820 -0.582 0.000 1.883 75 A HA -0.208 4.113 4.320 0.001 0.000 0.217 75 A C 1.930 179.300 177.584 -0.357 0.000 1.186 75 A CA 2.220 53.947 52.037 -0.515 0.000 0.624 75 A CB -1.639 17.140 19.000 -0.367 0.000 0.822 75 A HN 0.717 nan 8.150 nan 0.000 0.444 76 Y N -0.393 119.795 120.300 -0.188 0.000 2.128 76 Y HA -0.183 4.368 4.550 0.001 0.000 0.284 76 Y C 2.898 178.685 175.900 -0.188 0.000 1.154 76 Y CA 0.539 58.542 58.100 -0.162 0.000 1.149 76 Y CB -0.538 37.830 38.460 -0.153 0.000 0.976 76 Y HN 0.330 nan 8.280 nan 0.000 0.505 77 A N 0.374 123.139 122.820 -0.092 0.000 2.121 77 A HA -0.154 4.166 4.320 0.001 0.000 0.218 77 A C 2.090 179.483 177.584 -0.318 0.000 1.154 77 A CA 0.978 52.902 52.037 -0.188 0.000 0.679 77 A CB -0.652 18.270 19.000 -0.130 0.000 0.795 77 A HN 0.428 nan 8.150 nan 0.000 0.458 78 R N -0.818 119.414 120.500 -0.446 0.000 2.323 78 R HA 0.092 4.432 4.340 0.001 0.000 0.198 78 R C 0.768 176.966 176.300 -0.170 0.000 0.988 78 R CA 0.497 56.339 56.100 -0.430 0.000 1.041 78 R CB -0.001 29.936 30.300 -0.606 0.000 0.926 78 R HN 0.466 nan 8.270 nan 0.000 0.476 79 R N -2.200 118.240 120.500 -0.100 0.000 2.549 79 R HA 0.114 4.455 4.340 0.001 0.000 0.361 79 R C 0.718 177.012 176.300 -0.010 0.000 0.969 79 R CA -0.173 55.917 56.100 -0.018 0.000 1.158 79 R CB 0.470 30.781 30.300 0.018 0.000 1.456 79 R HN 0.051 nan 8.270 nan 0.000 0.540 80 C N 0.289 119.561 119.300 -0.047 0.000 2.693 80 C HA 0.409 4.870 4.460 0.001 0.000 0.286 80 C C 0.815 175.784 174.990 -0.035 0.000 1.277 80 C CA -0.186 58.794 59.018 -0.064 0.000 1.705 80 C CB -1.246 26.428 27.740 -0.108 0.000 1.879 80 C HN 0.614 nan 8.230 nan 0.000 0.607 81 F N -0.901 118.939 119.950 -0.182 0.000 1.855 81 F HA 0.378 4.906 4.527 0.001 0.000 0.229 81 F C 1.850 177.579 175.800 -0.120 0.000 1.260 81 F CA 0.728 58.636 58.000 -0.153 0.000 1.277 81 F CB -0.161 38.725 39.000 -0.190 0.000 1.975 81 F HN -0.059 nan 8.300 nan 0.000 0.155 82 G N 0.005 109.044 108.800 0.399 0.000 2.850 82 G HA2 0.222 4.183 3.960 0.001 0.000 0.211 82 G HA3 0.222 4.183 3.960 0.001 0.000 0.211 82 G C -1.950 172.611 174.900 -0.565 0.000 1.124 82 G CA -0.117 44.970 45.100 -0.020 0.000 0.769 82 G HN 0.161 nan 8.290 nan 0.000 0.535 83 P HA -0.235 nan 4.420 nan 0.000 0.217 83 P C 1.444 177.832 177.300 -1.521 0.000 1.125 83 P CA 0.377 62.718 63.100 -1.265 0.000 0.897 83 P CB -0.190 31.064 31.700 -0.743 0.000 0.561 84 F N -0.410 118.705 119.950 -1.391 0.000 2.065 84 F HA -0.317 4.211 4.527 0.001 0.000 0.290 84 F C 2.130 177.521 175.800 -0.682 0.000 1.079 84 F CA 1.835 59.316 58.000 -0.865 0.000 1.261 84 F CB -1.099 37.554 39.000 -0.580 0.000 0.968 84 F HN -0.079 nan 8.300 nan 0.000 0.496 85 L N -0.441 120.340 121.223 -0.736 0.000 2.141 85 L HA -0.133 4.208 4.340 0.001 0.000 0.209 85 L C 2.731 179.313 176.870 -0.480 0.000 1.094 85 L CA 1.253 55.792 54.840 -0.502 0.000 0.763 85 L CB -1.387 40.531 42.059 -0.234 0.000 0.908 85 L HN 0.453 nan 8.230 nan 0.000 0.437 86 G N -1.074 107.392 108.800 -0.557 0.000 2.395 86 G HA2 -0.245 3.715 3.960 0.001 0.000 0.214 86 G HA3 -0.245 3.715 3.960 0.001 0.000 0.214 86 G C 1.219 176.164 174.900 0.076 0.000 1.177 86 G CA 0.224 45.150 45.100 -0.290 0.000 0.794 86 G HN 0.217 nan 8.290 nan 0.000 0.532 87 Y N 0.970 121.263 120.300 -0.010 0.000 2.274 87 Y HA -0.118 4.433 4.550 0.001 0.000 0.290 87 Y C 2.836 178.621 175.900 -0.192 0.000 1.145 87 Y CA 0.952 58.998 58.100 -0.090 0.000 1.203 87 Y CB -0.742 37.788 38.460 0.118 0.000 0.984 87 Y HN 0.376 nan 8.280 nan 0.000 0.533 88 Q N -0.439 119.210 119.800 -0.252 0.000 2.187 88 Q HA -0.142 4.198 4.340 0.001 0.000 0.199 88 Q C 2.178 178.119 176.000 -0.097 0.000 0.957 88 Q CA 1.597 57.236 55.803 -0.272 0.000 0.857 88 Q CB -0.232 28.152 28.738 -0.591 0.000 0.929 88 Q HN 0.405 nan 8.270 nan 0.000 0.453 89 T N 0.488 115.037 114.554 -0.009 0.000 2.867 89 T HA -0.153 4.198 4.350 0.001 0.000 0.268 89 T C 1.517 176.270 174.700 0.089 0.000 1.057 89 T CA 1.721 63.897 62.100 0.126 0.000 1.136 89 T CB -0.197 68.810 68.868 0.231 0.000 0.874 89 T HN 0.503 nan 8.240 nan 0.000 0.466 90 N N 0.217 118.927 118.700 0.018 0.000 2.124 90 N HA -0.045 4.695 4.740 0.001 0.000 0.189 90 N C 1.907 177.383 175.510 -0.055 0.000 1.050 90 N CA 1.854 54.855 53.050 -0.081 0.000 0.848 90 N CB -0.824 37.384 38.487 -0.465 0.000 1.027 90 N HN 0.171 nan 8.380 nan 0.000 0.435 91 V N 1.104 120.877 119.914 -0.235 0.000 2.257 91 V HA -0.295 3.825 4.120 0.001 0.000 0.257 91 V C 2.421 178.543 176.094 0.046 0.000 1.077 91 V CA 2.227 64.478 62.300 -0.081 0.000 1.063 91 V CB -0.848 30.919 31.823 -0.094 0.000 0.664 91 V HN 0.531 nan 8.190 nan 0.000 0.450 92 L N -1.940 119.238 121.223 -0.074 0.000 2.291 92 L HA -0.134 4.206 4.340 0.001 0.000 0.214 92 L C 2.139 178.980 176.870 -0.047 0.000 1.120 92 L CA 1.498 56.189 54.840 -0.249 0.000 0.799 92 L CB -0.284 41.649 42.059 -0.210 0.000 0.925 92 L HN 0.473 nan 8.230 nan 0.000 0.446 93 Y N -0.818 119.474 120.300 -0.012 0.000 2.186 93 Y HA -0.159 4.391 4.550 0.001 0.000 0.286 93 Y C 2.152 178.145 175.900 0.156 0.000 1.109 93 Y CA 1.148 59.292 58.100 0.073 0.000 1.099 93 Y CB -1.323 37.179 38.460 0.072 0.000 1.030 93 Y HN 0.330 nan 8.280 nan 0.000 0.495 94 W N 1.485 122.722 121.300 -0.105 0.000 2.262 94 W HA -0.335 4.325 4.660 0.001 0.000 0.331 94 W C 1.729 178.238 176.519 -0.015 0.000 1.315 94 W CA 2.669 59.958 57.345 -0.093 0.000 1.302 94 W CB -0.907 28.610 29.460 0.095 0.000 1.128 94 W HN 0.182 nan 8.180 nan 0.000 0.482 95 L N 0.605 121.898 121.223 0.117 0.000 2.962 95 L HA 0.038 4.378 4.340 0.001 0.000 0.263 95 L C 1.246 177.784 176.870 -0.554 0.000 1.152 95 L CA 1.028 55.658 54.840 -0.349 0.000 0.954 95 L CB -0.759 41.192 42.059 -0.181 0.000 1.213 95 L HN 0.310 nan 8.230 nan 0.000 0.422 96 A N -3.340 119.241 122.820 -0.399 0.000 2.577 96 A HA 0.080 4.400 4.320 0.001 0.000 0.195 96 A C 1.364 178.824 177.584 -0.208 0.000 1.407 96 A CA 0.167 52.080 52.037 -0.207 0.000 1.056 96 A CB -0.634 18.442 19.000 0.125 0.000 1.165 96 A HN 0.454 nan 8.150 nan 0.000 0.472 97 C N -1.525 117.645 119.300 -0.217 0.000 2.541 97 C HA 0.113 4.574 4.460 0.001 0.000 0.284 97 C C 2.221 177.139 174.990 -0.120 0.000 1.341 97 C CA 0.684 59.687 59.018 -0.024 0.000 1.732 97 C CB -1.673 26.146 27.740 0.131 0.000 2.126 97 C HN 0.910 nan 8.230 nan 0.000 0.505 98 W N 2.792 123.868 121.300 -0.374 0.000 2.311 98 W HA -0.145 4.516 4.660 0.001 0.000 0.326 98 W C 1.930 178.277 176.519 -0.287 0.000 1.239 98 W CA 1.177 58.285 57.345 -0.394 0.000 1.258 98 W CB -1.306 27.752 29.460 -0.670 0.000 1.165 98 W HN 0.262 nan 8.180 nan 0.000 0.466 99 I N 1.616 121.548 120.570 -1.063 0.000 2.236 99 I HA -0.296 3.875 4.170 0.001 0.000 0.249 99 I C 2.614 178.547 176.117 -0.306 0.000 1.102 99 I CA 1.939 62.778 61.300 -0.768 0.000 1.365 99 I CB -1.282 36.207 38.000 -0.852 0.000 1.051 99 I HN 0.356 nan 8.210 nan 0.000 0.420 100 G N 0.680 109.274 108.800 -0.343 0.000 2.421 100 G HA2 -0.283 3.677 3.960 0.001 0.000 0.216 100 G HA3 -0.283 3.677 3.960 0.001 0.000 0.216 100 G C 1.326 176.061 174.900 -0.275 0.000 1.171 100 G CA 0.957 45.843 45.100 -0.357 0.000 0.775 100 G HN 0.334 nan 8.290 nan 0.000 0.543 101 N N 1.035 119.606 118.700 -0.216 0.000 2.018 101 N HA -0.136 4.604 4.740 0.001 0.000 0.196 101 N C 2.158 177.633 175.510 -0.059 0.000 1.043 101 N CA 1.267 54.236 53.050 -0.135 0.000 0.856 101 N CB -0.614 37.833 38.487 -0.066 0.000 1.042 101 N HN 0.385 nan 8.380 nan 0.000 0.423 102 I N 0.664 121.252 120.570 0.029 0.000 2.182 102 I HA -0.359 3.812 4.170 0.001 0.000 0.248 102 I C 1.923 178.051 176.117 0.018 0.000 1.073 102 I CA 1.803 63.149 61.300 0.076 0.000 1.335 102 I CB -0.294 37.869 38.000 0.271 0.000 1.031 102 I HN 0.191 nan 8.210 nan 0.000 0.420 103 A N -0.933 121.891 122.820 0.006 0.000 2.178 103 A HA 0.027 4.348 4.320 0.001 0.000 0.211 103 A C 2.228 179.776 177.584 -0.060 0.000 1.157 103 A CA 0.265 52.289 52.037 -0.021 0.000 0.780 103 A CB -0.196 18.800 19.000 -0.006 0.000 0.828 103 A HN 0.300 nan 8.150 nan 0.000 0.476 104 M N 0.439 119.980 119.600 -0.099 0.000 2.081 104 M HA -0.099 4.382 4.480 0.001 0.000 0.261 104 M C 2.204 178.468 176.300 -0.060 0.000 1.075 104 M CA 2.127 57.355 55.300 -0.121 0.000 1.133 104 M CB -0.585 31.895 32.600 -0.200 0.000 1.330 104 M HN 0.377 nan 8.290 nan 0.000 0.414 105 V N -1.543 118.347 119.914 -0.040 0.000 2.255 105 V HA -0.206 3.914 4.120 0.001 0.000 0.247 105 V C 2.386 178.492 176.094 0.020 0.000 1.051 105 V CA 1.817 64.117 62.300 -0.001 0.000 1.018 105 V CB -1.895 29.941 31.823 0.021 0.000 0.641 105 V HN 0.291 nan 8.190 nan 0.000 0.445 106 V N -0.092 119.827 119.914 0.008 0.000 2.511 106 V HA -0.295 3.826 4.120 0.001 0.000 0.257 106 V C 2.337 178.455 176.094 0.039 0.000 1.088 106 V CA 2.517 64.825 62.300 0.012 0.000 1.098 106 V CB -0.687 31.131 31.823 -0.008 0.000 0.674 106 V HN 0.522 nan 8.190 nan 0.000 0.470 107 I N -0.318 120.289 120.570 0.063 0.000 2.628 107 I HA 0.008 4.179 4.170 0.001 0.000 0.255 107 I C 2.454 178.744 176.117 0.288 0.000 1.119 107 I CA 1.295 62.683 61.300 0.146 0.000 1.448 107 I CB -0.580 37.522 38.000 0.171 0.000 1.133 107 I HN 0.410 nan 8.210 nan 0.000 0.438 108 G N 0.305 109.204 108.800 0.165 0.000 2.443 108 G HA2 -0.141 3.819 3.960 0.001 0.000 0.219 108 G HA3 -0.141 3.819 3.960 0.001 0.000 0.219 108 G C 1.619 176.598 174.900 0.131 0.000 1.131 108 G CA 0.563 45.731 45.100 0.114 0.000 0.775 108 G HN 0.249 nan 8.290 nan 0.000 0.547 109 V N 1.292 121.267 119.914 0.103 0.000 2.453 109 V HA 0.012 4.132 4.120 0.001 0.000 0.247 109 V C 3.030 179.179 176.094 0.091 0.000 1.048 109 V CA 1.667 64.017 62.300 0.083 0.000 1.049 109 V CB -0.792 31.064 31.823 0.055 0.000 0.672 109 V HN 0.402 nan 8.190 nan 0.000 0.457 110 G N -1.668 107.185 108.800 0.088 0.000 2.535 110 G HA2 -0.231 3.730 3.960 0.001 0.000 0.218 110 G HA3 -0.231 3.730 3.960 0.001 0.000 0.218 110 G C 1.241 176.116 174.900 -0.042 0.000 1.122 110 G CA 0.368 45.485 45.100 0.027 0.000 0.769 110 G HN 0.561 nan 8.290 nan 0.000 0.549 111 Y N -0.419 119.864 120.300 -0.028 0.000 2.544 111 Y HA 0.314 4.865 4.550 0.001 0.000 0.286 111 Y C 2.152 177.997 175.900 -0.093 0.000 1.141 111 Y CA 0.328 58.372 58.100 -0.092 0.000 1.299 111 Y CB 0.381 38.728 38.460 -0.188 0.000 1.030 111 Y HN 0.103 nan 8.280 nan 0.000 0.543 112 L N -1.748 119.540 121.223 0.108 0.000 2.728 112 L HA 0.082 4.422 4.340 0.001 0.000 0.238 112 L C 2.129 179.096 176.870 0.162 0.000 1.143 112 L CA 0.110 55.026 54.840 0.125 0.000 0.937 112 L CB -0.048 42.088 42.059 0.128 0.000 1.225 112 L HN 0.064 nan 8.230 nan 0.000 0.507 113 S N -0.070 115.710 115.700 0.134 0.000 2.381 113 S HA -0.201 4.270 4.470 0.001 0.000 0.230 113 S C 0.777 175.460 174.600 0.137 0.000 1.052 113 S CA 1.760 60.034 58.200 0.123 0.000 1.068 113 S CB -0.048 63.241 63.200 0.147 0.000 0.918 113 S HN 0.330 nan 8.310 nan 0.000 0.448 114 Y N -1.611 118.837 120.300 0.246 0.000 2.596 114 Y HA 0.538 5.089 4.550 0.001 0.000 0.326 114 Y C -0.354 175.946 175.900 0.667 0.000 1.167 114 Y CA -1.125 57.178 58.100 0.337 0.000 1.246 114 Y CB 0.742 39.354 38.460 0.253 0.000 1.347 114 Y HN 0.169 nan 8.280 nan 0.000 0.515 115 F N 1.189 121.303 119.950 0.272 0.000 2.174 115 F HA -0.208 4.319 4.527 0.001 0.000 0.496 115 F C -0.296 175.661 175.800 0.262 0.000 1.258 115 F CA -0.454 57.677 58.000 0.219 0.000 1.597 115 F CB -1.531 37.579 39.000 0.184 0.000 2.532 115 F HN 0.453 nan 8.300 nan 0.000 0.732 116 F N 0.827 120.861 119.950 0.139 0.000 1.405 116 F HA -0.318 4.210 4.527 0.001 0.000 0.086 116 F C -0.663 175.168 175.800 0.052 0.000 0.130 116 F CA 1.261 59.308 58.000 0.079 0.000 0.322 116 F CB -1.767 37.289 39.000 0.093 0.000 1.017 116 F HN 0.474 nan 8.300 nan 0.000 0.655 117 P HA -0.321 nan 4.420 nan 0.000 0.272 117 P C -0.104 177.124 177.300 -0.120 0.000 0.825 117 P CA 2.379 65.391 63.100 -0.148 0.000 1.038 117 P CB -0.306 31.364 31.700 -0.050 0.000 0.879 118 I N -1.691 118.801 120.570 -0.130 0.000 4.637 118 I HA -0.272 3.898 4.170 0.001 0.000 0.126 118 I C 0.647 176.613 176.117 -0.251 0.000 1.134 118 I CA 0.750 61.879 61.300 -0.284 0.000 2.675 118 I CB -1.292 36.378 38.000 -0.550 0.000 1.781 118 I HN 0.373 nan 8.210 nan 0.000 0.328 119 L N 4.577 125.678 121.223 -0.203 0.000 6.991 119 L HA -0.401 3.939 4.340 0.001 0.000 0.084 119 L C 1.074 177.839 176.870 -0.175 0.000 1.353 119 L CA 1.474 56.217 54.840 -0.160 0.000 1.687 119 L CB -0.406 41.586 42.059 -0.111 0.000 2.662 119 L HN 1.007 nan 8.230 nan 0.000 1.067 120 K N -0.167 120.174 120.400 -0.099 0.000 3.315 120 K HA -0.137 4.183 4.320 0.001 0.000 0.270 120 K C -0.663 175.914 176.600 -0.038 0.000 1.139 120 K CA 1.110 57.361 56.287 -0.060 0.000 0.806 120 K CB -1.584 30.883 32.500 -0.055 0.000 1.300 120 K HN 0.727 nan 8.250 nan 0.000 0.475 121 D N -2.101 118.281 120.400 -0.030 0.000 2.410 121 D HA 0.065 4.705 4.640 0.001 0.000 0.218 121 D C -1.323 174.971 176.300 -0.010 0.000 1.359 121 D CA 0.180 54.173 54.000 -0.011 0.000 1.348 121 D CB -0.414 40.383 40.800 -0.004 0.000 1.797 121 D HN 0.176 nan 8.370 nan 0.000 0.409 122 P HA 0.174 nan 4.420 nan 0.000 0.339 122 P C 1.270 178.562 177.300 -0.014 0.000 1.413 122 P CA -0.173 62.919 63.100 -0.012 0.000 0.833 122 P CB 0.245 31.936 31.700 -0.015 0.000 2.004 123 L N -0.648 120.567 121.223 -0.014 0.000 2.633 123 L HA -0.072 4.268 4.340 0.001 0.000 0.235 123 L C 2.082 178.943 176.870 -0.015 0.000 1.163 123 L CA 0.269 55.101 54.840 -0.014 0.000 0.859 123 L CB -0.639 41.412 42.059 -0.013 0.000 0.973 123 L HN 0.027 nan 8.230 nan 0.000 0.451 124 V N 0.034 119.937 119.914 -0.019 0.000 2.488 124 V HA -0.231 3.889 4.120 0.001 0.000 0.246 124 V C 2.252 178.336 176.094 -0.016 0.000 1.046 124 V CA 1.351 63.637 62.300 -0.022 0.000 1.053 124 V CB 0.183 31.987 31.823 -0.033 0.000 0.679 124 V HN 0.375 nan 8.190 nan 0.000 0.458 125 L N -0.164 121.051 121.223 -0.014 0.000 2.027 125 L HA -0.170 4.171 4.340 0.001 0.000 0.206 125 L C 2.797 179.665 176.870 -0.003 0.000 1.074 125 L CA 2.342 57.178 54.840 -0.006 0.000 0.745 125 L CB -0.433 41.624 42.059 -0.004 0.000 0.898 125 L HN 0.538 nan 8.230 nan 0.000 0.433 126 T N -1.026 113.523 114.554 -0.009 0.000 2.684 126 T HA -0.271 4.080 4.350 0.001 0.000 0.267 126 T C 1.767 176.471 174.700 0.006 0.000 1.036 126 T CA 1.962 64.057 62.100 -0.010 0.000 1.148 126 T CB -0.371 68.484 68.868 -0.022 0.000 0.863 126 T HN 0.276 nan 8.240 nan 0.000 0.436 127 I N 0.614 121.187 120.570 0.004 0.000 2.676 127 I HA 0.012 4.183 4.170 0.001 0.000 0.259 127 I C 2.580 178.709 176.117 0.020 0.000 1.194 127 I CA 1.118 62.426 61.300 0.013 0.000 1.473 127 I CB -0.223 37.777 38.000 -0.000 0.000 1.096 127 I HN 0.321 nan 8.210 nan 0.000 0.443 128 T N -1.703 112.859 114.554 0.013 0.000 2.978 128 T HA -0.138 4.212 4.350 0.001 0.000 0.262 128 T C 2.035 176.759 174.700 0.039 0.000 1.063 128 T CA 1.267 63.378 62.100 0.018 0.000 1.140 128 T CB -0.282 68.590 68.868 0.005 0.000 0.886 128 T HN 0.478 nan 8.240 nan 0.000 0.470 129 C N 0.689 120.011 119.300 0.038 0.000 2.466 129 C HA 0.076 4.536 4.460 0.001 0.000 0.278 129 C C 2.690 177.723 174.990 0.072 0.000 1.288 129 C CA 0.424 59.470 59.018 0.048 0.000 1.722 129 C CB -0.974 26.782 27.740 0.026 0.000 2.017 129 C HN 0.401 nan 8.230 nan 0.000 0.488 130 V N 0.239 120.201 119.914 0.081 0.000 2.594 130 V HA -0.155 3.966 4.120 0.001 0.000 0.253 130 V C 2.371 178.615 176.094 0.250 0.000 1.069 130 V CA 1.873 64.260 62.300 0.145 0.000 1.082 130 V CB -0.653 31.252 31.823 0.137 0.000 0.680 130 V HN 0.491 nan 8.190 nan 0.000 0.469 131 V N -0.109 119.903 119.914 0.164 0.000 2.307 131 V HA -0.198 3.923 4.120 0.001 0.000 0.245 131 V C 2.419 178.609 176.094 0.160 0.000 1.045 131 V CA 1.993 64.387 62.300 0.157 0.000 1.024 131 V CB -0.179 31.684 31.823 0.067 0.000 0.651 131 V HN 0.438 nan 8.190 nan 0.000 0.449 132 V N -0.125 119.856 119.914 0.112 0.000 2.343 132 V HA -0.281 3.840 4.120 0.001 0.000 0.247 132 V C 2.350 178.530 176.094 0.142 0.000 1.051 132 V CA 1.872 64.231 62.300 0.099 0.000 1.036 132 V CB -0.771 31.126 31.823 0.124 0.000 0.654 132 V HN 0.428 nan 8.190 nan 0.000 0.451 133 L N -1.432 119.865 121.223 0.124 0.000 1.997 133 L HA -0.266 4.075 4.340 0.001 0.000 0.216 133 L C 2.508 179.379 176.870 0.001 0.000 1.074 133 L CA 2.458 57.320 54.840 0.037 0.000 0.763 133 L CB -0.677 41.305 42.059 -0.128 0.000 0.890 133 L HN 0.394 nan 8.230 nan 0.000 0.434 134 W N 0.068 121.392 121.300 0.039 0.000 2.374 134 W HA -0.126 4.535 4.660 0.001 0.000 0.288 134 W C 2.440 178.931 176.519 -0.046 0.000 1.218 134 W CA 0.505 57.853 57.345 0.005 0.000 1.245 134 W CB -0.333 29.118 29.460 -0.014 0.000 1.126 134 W HN 0.061 nan 8.180 nan 0.000 0.545 135 I N -0.949 119.670 120.570 0.082 0.000 2.248 135 I HA -0.352 3.818 4.170 0.001 0.000 0.248 135 I C 1.838 177.783 176.117 -0.287 0.000 1.107 135 I CA 1.482 62.673 61.300 -0.183 0.000 1.373 135 I CB -0.600 37.143 38.000 -0.428 0.000 1.055 135 I HN -0.065 nan 8.210 nan 0.000 0.418 136 F N -0.424 119.558 119.950 0.053 0.000 2.317 136 F HA -0.031 4.497 4.527 0.001 0.000 0.293 136 F C 2.372 178.180 175.800 0.013 0.000 1.085 136 F CA 0.575 58.587 58.000 0.021 0.000 1.390 136 F CB -1.006 37.992 39.000 -0.002 0.000 1.077 136 F HN -0.256 nan 8.300 nan 0.000 0.517 137 V N 0.252 120.243 119.914 0.128 0.000 2.278 137 V HA -0.332 3.788 4.120 0.001 0.000 0.251 137 V C 2.371 178.543 176.094 0.130 0.000 1.062 137 V CA 1.871 64.208 62.300 0.062 0.000 1.038 137 V CB -0.695 31.087 31.823 -0.069 0.000 0.646 137 V HN 0.214 nan 8.190 nan 0.000 0.447 138 L N -1.167 120.150 121.223 0.158 0.000 2.027 138 L HA -0.078 4.262 4.340 0.001 0.000 0.206 138 L C 2.143 179.064 176.870 0.086 0.000 1.074 138 L CA 1.599 56.514 54.840 0.126 0.000 0.745 138 L CB -0.636 41.490 42.059 0.112 0.000 0.898 138 L HN 0.222 nan 8.230 nan 0.000 0.433 139 L N -0.282 120.982 121.223 0.069 0.000 2.447 139 L HA -0.220 4.121 4.340 0.001 0.000 0.225 139 L C 1.926 178.860 176.870 0.107 0.000 1.148 139 L CA 0.885 55.772 54.840 0.079 0.000 0.808 139 L CB -0.512 41.606 42.059 0.099 0.000 0.928 139 L HN 0.488 nan 8.230 nan 0.000 0.448 140 N N -0.220 118.548 118.700 0.113 0.000 2.439 140 N HA 0.027 4.768 4.740 0.001 0.000 0.176 140 N C 1.831 177.391 175.510 0.082 0.000 1.029 140 N CA 0.540 53.646 53.050 0.093 0.000 0.886 140 N CB 0.427 38.969 38.487 0.091 0.000 1.057 140 N HN 0.283 nan 8.380 nan 0.000 0.437 141 I N 1.148 121.770 120.570 0.087 0.000 2.423 141 I HA -0.174 3.997 4.170 0.001 0.000 0.254 141 I C 2.074 178.237 176.117 0.077 0.000 1.151 141 I CA 0.887 62.235 61.300 0.080 0.000 1.421 141 I CB -0.797 37.253 38.000 0.084 0.000 1.079 141 I HN -0.116 nan 8.210 nan 0.000 0.431 142 V N 1.490 121.450 119.914 0.077 0.000 2.283 142 V HA -0.053 4.067 4.120 0.001 0.000 0.243 142 V C 2.195 178.349 176.094 0.101 0.000 1.039 142 V CA 1.582 63.931 62.300 0.082 0.000 1.016 142 V CB -1.589 30.274 31.823 0.067 0.000 0.650 142 V HN 0.502 nan 8.190 nan 0.000 0.449 143 G N 0.997 109.842 108.800 0.075 0.000 2.224 143 G HA2 -0.052 3.908 3.960 0.001 0.000 0.357 143 G HA3 -0.052 3.908 3.960 0.001 0.000 0.357 143 G C -1.174 173.769 174.900 0.072 0.000 1.436 143 G CA 0.616 45.744 45.100 0.047 0.000 1.070 143 G HN 0.404 nan 8.290 nan 0.000 0.556 144 P HA 0.055 nan 4.420 nan 0.000 0.224 144 P C 1.577 178.852 177.300 -0.040 0.000 1.157 144 P CA 1.109 64.215 63.100 0.010 0.000 0.799 144 P CB 0.082 31.789 31.700 0.012 0.000 0.809 145 K N -0.653 119.677 120.400 -0.116 0.000 2.366 145 K HA -0.175 4.145 4.320 0.001 0.000 0.202 145 K C 1.792 178.303 176.600 -0.149 0.000 1.045 145 K CA 1.121 57.289 56.287 -0.199 0.000 0.934 145 K CB -0.319 31.901 32.500 -0.467 0.000 0.746 145 K HN 0.021 nan 8.250 nan 0.000 0.470 146 M N 0.472 120.016 119.600 -0.094 0.000 2.191 146 M HA -0.060 4.420 4.480 0.001 0.000 0.262 146 M C 2.008 178.313 176.300 0.009 0.000 1.083 146 M CA 0.836 56.117 55.300 -0.032 0.000 1.154 146 M CB -0.436 32.170 32.600 0.011 0.000 1.344 146 M HN 0.201 nan 8.290 nan 0.000 0.431 147 I N 0.691 121.278 120.570 0.029 0.000 2.179 147 I HA -0.240 3.930 4.170 0.001 0.000 0.242 147 I C 2.472 178.607 176.117 0.029 0.000 1.088 147 I CA 2.159 63.497 61.300 0.063 0.000 1.357 147 I CB -1.021 37.026 38.000 0.078 0.000 1.051 147 I HN 0.436 nan 8.210 nan 0.000 0.409 148 T N -0.702 113.849 114.554 -0.005 0.000 2.849 148 T HA -0.250 4.101 4.350 0.001 0.000 0.270 148 T C 2.215 176.904 174.700 -0.018 0.000 1.066 148 T CA 1.757 63.843 62.100 -0.023 0.000 1.130 148 T CB -0.324 68.523 68.868 -0.036 0.000 0.864 148 T HN 0.403 nan 8.240 nan 0.000 0.481 149 R N -0.380 120.112 120.500 -0.012 0.000 2.062 149 R HA 0.099 4.439 4.340 0.001 0.000 0.229 149 R C 2.599 178.907 176.300 0.012 0.000 1.128 149 R CA 1.226 57.321 56.100 -0.008 0.000 0.960 149 R CB -0.519 29.772 30.300 -0.016 0.000 0.855 149 R HN 0.305 nan 8.270 nan 0.000 0.432 150 V N 1.036 120.972 119.914 0.037 0.000 2.287 150 V HA -0.311 3.810 4.120 0.001 0.000 0.248 150 V C 2.360 178.483 176.094 0.048 0.000 1.053 150 V CA 2.180 64.520 62.300 0.068 0.000 1.027 150 V CB -0.493 31.415 31.823 0.142 0.000 0.646 150 V HN 0.408 nan 8.190 nan 0.000 0.447 151 Q N 0.630 120.444 119.800 0.024 0.000 2.014 151 Q HA -0.226 4.114 4.340 0.001 0.000 0.207 151 Q C 2.145 178.126 176.000 -0.033 0.000 0.993 151 Q CA 2.761 58.550 55.803 -0.023 0.000 0.850 151 Q CB -0.697 28.016 28.738 -0.042 0.000 0.916 151 Q HN 0.562 nan 8.270 nan 0.000 0.417 152 A N -0.240 122.565 122.820 -0.025 0.000 1.892 152 A HA -0.209 4.111 4.320 0.001 0.000 0.218 152 A C 2.323 179.893 177.584 -0.022 0.000 1.188 152 A CA 1.998 54.019 52.037 -0.028 0.000 0.631 152 A CB -1.150 17.838 19.000 -0.021 0.000 0.822 152 A HN 0.322 nan 8.150 nan 0.000 0.447 153 V N -0.282 119.628 119.914 -0.008 0.000 2.220 153 V HA -0.269 3.851 4.120 0.001 0.000 0.246 153 V C 3.093 179.181 176.094 -0.010 0.000 1.049 153 V CA 2.216 64.516 62.300 0.001 0.000 1.003 153 V CB -1.428 30.407 31.823 0.020 0.000 0.634 153 V HN 0.651 nan 8.190 nan 0.000 0.444 154 A N 0.673 123.484 122.820 -0.016 0.000 1.883 154 A HA -0.276 4.044 4.320 0.001 0.000 0.217 154 A C 2.510 180.042 177.584 -0.086 0.000 1.186 154 A CA 2.970 54.977 52.037 -0.050 0.000 0.624 154 A CB -1.188 17.778 19.000 -0.057 0.000 0.822 154 A HN 0.687 nan 8.150 nan 0.000 0.444 155 T N -3.040 111.465 114.554 -0.082 0.000 2.833 155 T HA -0.096 4.254 4.350 0.001 0.000 0.269 155 T C 1.665 176.319 174.700 -0.078 0.000 1.054 155 T CA 1.468 63.511 62.100 -0.095 0.000 1.135 155 T CB -0.721 68.091 68.868 -0.093 0.000 0.869 155 T HN 0.057 nan 8.240 nan 0.000 0.466 156 V N 1.003 120.885 119.914 -0.054 0.000 2.490 156 V HA 0.005 4.126 4.120 0.001 0.000 0.250 156 V C 2.674 178.748 176.094 -0.033 0.000 1.061 156 V CA 1.353 63.630 62.300 -0.039 0.000 1.064 156 V CB -0.586 31.223 31.823 -0.023 0.000 0.670 156 V HN 0.498 nan 8.190 nan 0.000 0.461 157 L N -0.325 120.881 121.223 -0.029 0.000 2.201 157 L HA -0.087 4.253 4.340 0.001 0.000 0.212 157 L C 2.348 179.194 176.870 -0.039 0.000 1.105 157 L CA 1.460 56.298 54.840 -0.004 0.000 0.775 157 L CB -0.428 41.642 42.059 0.018 0.000 0.913 157 L HN 0.358 nan 8.230 nan 0.000 0.440 158 A N -1.235 121.531 122.820 -0.091 0.000 2.238 158 A HA 0.090 4.411 4.320 0.001 0.000 0.210 158 A C 2.064 179.602 177.584 -0.077 0.000 1.179 158 A CA 0.171 52.141 52.037 -0.112 0.000 0.827 158 A CB -0.169 18.730 19.000 -0.168 0.000 0.856 158 A HN 0.284 nan 8.150 nan 0.000 0.488 159 L N -0.421 120.763 121.223 -0.065 0.000 2.217 159 L HA -0.107 4.233 4.340 0.001 0.000 0.211 159 L C 2.204 179.050 176.870 -0.040 0.000 1.107 159 L CA 0.843 55.651 54.840 -0.054 0.000 0.783 159 L CB -0.592 41.438 42.059 -0.049 0.000 0.919 159 L HN 0.423 nan 8.230 nan 0.000 0.442 160 I N 0.565 121.113 120.570 -0.038 0.000 2.065 160 I HA -0.324 3.846 4.170 0.001 0.000 0.236 160 I C -0.194 175.893 176.117 -0.049 0.000 1.028 160 I CA 2.096 63.369 61.300 -0.046 0.000 1.299 160 I CB -1.702 36.283 38.000 -0.024 0.000 1.015 160 I HN 0.234 nan 8.210 nan 0.000 0.396 161 P HA -0.146 nan 4.420 nan 0.000 0.210 161 P C 1.948 179.256 177.300 0.013 0.000 1.191 161 P CA 1.612 64.714 63.100 0.004 0.000 0.917 161 P CB -0.019 31.705 31.700 0.041 0.000 0.778 162 I N -0.712 119.866 120.570 0.013 0.000 2.091 162 I HA -0.215 3.955 4.170 0.001 0.000 0.239 162 I C 1.726 177.851 176.117 0.014 0.000 1.061 162 I CA 1.770 63.076 61.300 0.010 0.000 1.317 162 I CB -0.685 37.301 38.000 -0.024 0.000 1.031 162 I HN -0.204 nan 8.210 nan 0.000 0.401 163 V N 0.794 120.710 119.914 0.003 0.000 3.630 163 V HA 0.028 4.149 4.120 0.001 0.000 0.273 163 V C 2.138 178.272 176.094 0.066 0.000 1.248 163 V CA 1.048 63.368 62.300 0.034 0.000 1.170 163 V CB -0.968 30.864 31.823 0.016 0.000 0.899 163 V HN 0.535 nan 8.190 nan 0.000 0.457 164 G N 0.507 109.319 108.800 0.019 0.000 2.394 164 G HA2 -0.098 3.862 3.960 0.001 0.000 0.215 164 G HA3 -0.098 3.862 3.960 0.001 0.000 0.215 164 G C 1.457 176.446 174.900 0.149 0.000 1.165 164 G CA 0.544 45.622 45.100 -0.036 0.000 0.784 164 G HN 0.513 nan 8.290 nan 0.000 0.535 165 I N 1.172 121.827 120.570 0.142 0.000 2.584 165 I HA 0.018 4.189 4.170 0.001 0.000 0.255 165 I C 3.074 179.333 176.117 0.237 0.000 1.145 165 I CA 0.584 62.001 61.300 0.196 0.000 1.462 165 I CB 0.023 38.088 38.000 0.108 0.000 1.102 165 I HN 0.210 nan 8.210 nan 0.000 0.433 166 A N 0.108 123.033 122.820 0.176 0.000 2.186 166 A HA -0.078 4.243 4.320 0.001 0.000 0.219 166 A C 2.070 179.798 177.584 0.240 0.000 1.159 166 A CA 1.627 53.755 52.037 0.150 0.000 0.680 166 A CB -0.250 18.792 19.000 0.070 0.000 0.787 166 A HN 0.310 nan 8.150 nan 0.000 0.467 167 V N -3.426 116.716 119.914 0.378 0.000 3.279 167 V HA 0.100 4.220 4.120 0.001 0.000 0.213 167 V C 1.797 178.262 176.094 0.618 0.000 1.335 167 V CA 0.401 63.021 62.300 0.534 0.000 1.317 167 V CB -0.841 31.229 31.823 0.412 0.000 1.209 167 V HN 0.442 nan 8.190 nan 0.000 0.525 168 F N 2.166 122.289 119.950 0.288 0.000 2.102 168 F HA -0.056 4.472 4.527 0.001 0.000 0.298 168 F C 2.486 178.475 175.800 0.314 0.000 1.105 168 F CA 1.926 60.069 58.000 0.237 0.000 1.239 168 F CB -0.790 38.306 39.000 0.161 0.000 0.991 168 F HN 0.285 nan 8.300 nan 0.000 0.474 169 G N -0.676 108.415 108.800 0.485 0.000 2.442 169 G HA2 -0.334 3.627 3.960 0.001 0.000 0.219 169 G HA3 -0.334 3.627 3.960 0.001 0.000 0.219 169 G C 1.301 176.470 174.900 0.447 0.000 1.141 169 G CA 0.810 46.144 45.100 0.391 0.000 0.763 169 G HN 0.565 nan 8.290 nan 0.000 0.554 170 W N 0.929 122.398 121.300 0.282 0.000 2.333 170 W HA 0.001 4.661 4.660 0.001 0.000 0.316 170 W C 1.962 178.661 176.519 0.301 0.000 1.215 170 W CA 1.199 58.695 57.345 0.252 0.000 1.278 170 W CB -0.857 28.719 29.460 0.193 0.000 1.154 170 W HN 0.072 nan 8.180 nan 0.000 0.486 171 F N -0.423 119.218 119.950 -0.515 0.000 2.307 171 F HA -0.072 4.455 4.527 0.001 0.000 0.301 171 F C 1.830 177.468 175.800 -0.270 0.000 1.076 171 F CA 1.692 59.210 58.000 -0.804 0.000 1.383 171 F CB -0.571 38.011 39.000 -0.696 0.000 1.055 171 F HN -0.000 nan 8.300 nan 0.000 0.526 172 W N -0.946 120.372 121.300 0.030 0.000 1.592 172 W HA 0.123 4.784 4.660 0.001 0.000 0.624 172 W C 0.344 176.985 176.519 0.204 0.000 1.311 172 W CA -0.411 57.003 57.345 0.115 0.000 1.187 172 W CB -0.715 28.834 29.460 0.149 0.000 3.278 172 W HN -0.419 nan 8.180 nan 0.000 0.762 173 F N 2.817 123.283 119.950 0.859 0.000 2.594 173 F HA -0.164 4.363 4.527 0.001 0.000 0.384 173 F C 0.837 176.885 175.800 0.413 0.000 1.060 173 F CA 0.828 59.150 58.000 0.537 0.000 1.278 173 F CB 0.167 39.395 39.000 0.381 0.000 0.977 173 F HN 0.207 nan 8.300 nan 0.000 0.576 174 R N 2.580 123.287 120.500 0.345 0.000 2.388 174 R HA -0.148 4.193 4.340 0.001 0.000 0.344 174 R C 0.208 176.114 176.300 -0.657 0.000 1.043 174 R CA 0.339 56.423 56.100 -0.027 0.000 0.776 174 R CB -1.547 28.819 30.300 0.111 0.000 2.324 174 R HN 1.088 nan 8.270 nan 0.000 0.479 175 G N 1.162 109.412 108.800 -0.917 0.000 4.099 175 G HA2 -0.080 3.880 3.960 0.001 0.000 0.114 175 G HA3 -0.080 3.880 3.960 0.001 0.000 0.114 175 G C 0.294 174.882 174.900 -0.521 0.000 1.603 175 G CA -0.035 44.819 45.100 -0.410 0.000 1.010 175 G HN 0.303 nan 8.290 nan 0.000 0.324 176 E N 1.043 120.993 120.200 -0.416 0.000 2.474 176 E HA 0.135 4.485 4.350 0.001 0.000 0.195 176 E C 1.996 178.392 176.600 -0.341 0.000 1.039 176 E CA 0.603 56.846 56.400 -0.261 0.000 0.881 176 E CB 0.394 30.026 29.700 -0.114 0.000 0.970 176 E HN 0.412 nan 8.360 nan 0.000 0.486 177 T N 0.367 114.544 114.554 -0.629 0.000 2.788 177 T HA -0.201 4.150 4.350 0.001 0.000 0.268 177 T C 1.550 176.105 174.700 -0.241 0.000 1.044 177 T CA 1.278 63.108 62.100 -0.449 0.000 1.139 177 T CB -0.419 68.114 68.868 -0.558 0.000 0.867 177 T HN 0.379 nan 8.240 nan 0.000 0.454 178 Y N 0.952 121.266 120.300 0.024 0.000 2.181 178 Y HA 0.017 4.568 4.550 0.001 0.000 0.288 178 Y C 2.741 178.701 175.900 0.099 0.000 1.146 178 Y CA 0.564 58.700 58.100 0.060 0.000 1.164 178 Y CB -0.665 37.826 38.460 0.052 0.000 0.982 178 Y HN 0.069 nan 8.280 nan 0.000 0.515 179 M N 0.745 120.466 119.600 0.201 0.000 2.202 179 M HA -0.207 4.274 4.480 0.001 0.000 0.262 179 M C 2.338 178.858 176.300 0.367 0.000 1.063 179 M CA 1.736 57.255 55.300 0.365 0.000 1.097 179 M CB -0.160 32.615 32.600 0.292 0.000 1.382 179 M HN 0.395 nan 8.290 nan 0.000 0.413 180 A N 0.280 123.186 122.820 0.145 0.000 1.858 180 A HA -0.057 4.264 4.320 0.001 0.000 0.216 180 A C 2.240 179.914 177.584 0.150 0.000 1.190 180 A CA 1.808 53.901 52.037 0.094 0.000 0.617 180 A CB -1.219 17.788 19.000 0.012 0.000 0.827 180 A HN 0.628 nan 8.150 nan 0.000 0.443 181 A N -2.443 120.470 122.820 0.156 0.000 2.178 181 A HA 0.079 4.400 4.320 0.001 0.000 0.218 181 A C 0.910 178.631 177.584 0.228 0.000 1.157 181 A CA 0.866 53.001 52.037 0.164 0.000 0.689 181 A CB -0.827 18.267 19.000 0.157 0.000 0.787 181 A HN 0.692 nan 8.150 nan 0.000 0.465 182 W N 0.207 121.532 121.300 0.042 0.000 1.941 182 W HA -0.354 4.307 4.660 0.001 0.000 0.213 182 W C 1.018 177.550 176.519 0.022 0.000 0.869 182 W CA 1.850 59.216 57.345 0.035 0.000 1.805 182 W CB -0.599 28.875 29.460 0.023 0.000 1.508 182 W HN 0.423 nan 8.180 nan 0.000 0.715 183 N N -0.529 118.196 118.700 0.041 0.000 2.057 183 N HA 0.144 4.884 4.740 0.001 0.000 0.212 183 N C 0.594 176.155 175.510 0.085 0.000 1.172 183 N CA 1.231 54.232 53.050 -0.082 0.000 0.981 183 N CB -1.344 36.990 38.487 -0.255 0.000 1.155 183 N HN 0.369 nan 8.380 nan 0.000 0.446 184 V N -0.806 119.175 119.914 0.111 0.000 3.440 184 V HA -0.342 3.778 4.120 0.001 0.000 0.377 184 V C 1.223 177.357 176.094 0.067 0.000 2.191 184 V CA 1.372 63.738 62.300 0.110 0.000 2.193 184 V CB -1.507 30.405 31.823 0.149 0.000 1.831 184 V HN 0.792 nan 8.190 nan 0.000 0.510 185 S N -2.195 113.541 115.700 0.061 0.000 1.811 185 S HA -0.204 4.266 4.470 0.001 0.000 0.234 185 S C 0.917 175.535 174.600 0.031 0.000 0.947 185 S CA 1.738 59.964 58.200 0.042 0.000 1.485 185 S CB -1.503 61.721 63.200 0.040 0.000 1.892 185 S HN 2.535 nan 8.310 nan 0.000 0.542 186 G N 1.575 110.391 108.800 0.027 0.000 2.339 186 G HA2 0.569 4.530 3.960 0.001 0.000 0.287 186 G HA3 0.569 4.530 3.960 0.001 0.000 0.287 186 G C -0.149 174.777 174.900 0.045 0.000 1.163 186 G CA -0.764 44.351 45.100 0.024 0.000 0.872 186 G HN 0.463 nan 8.290 nan 0.000 0.464 187 L N 3.175 124.427 121.223 0.048 0.000 2.415 187 L HA 0.398 4.739 4.340 0.001 0.000 0.269 187 L C 1.151 178.074 176.870 0.089 0.000 1.244 187 L CA 0.095 54.972 54.840 0.061 0.000 1.113 187 L CB -1.082 41.005 42.059 0.047 0.000 1.352 187 L HN 0.868 nan 8.230 nan 0.000 0.433 188 G N 1.473 110.336 108.800 0.105 0.000 2.778 188 G HA2 -0.267 3.693 3.960 0.001 0.000 0.686 188 G HA3 -0.267 3.693 3.960 0.001 0.000 0.686 188 G C 0.786 175.790 174.900 0.173 0.000 1.309 188 G CA -0.200 44.989 45.100 0.149 0.000 0.904 188 G HN 0.755 nan 8.290 nan 0.000 0.593 189 T N 0.380 115.052 114.554 0.197 0.000 2.567 189 T HA -0.280 4.071 4.350 0.001 0.000 0.261 189 T C 1.530 176.302 174.700 0.119 0.000 1.123 189 T CA 1.942 64.145 62.100 0.172 0.000 1.166 189 T CB -0.520 68.443 68.868 0.159 0.000 0.860 189 T HN 1.060 nan 8.240 nan 0.000 0.436 190 F N 3.383 123.376 119.950 0.071 0.000 2.474 190 F HA 0.349 4.876 4.527 0.001 0.000 0.375 190 F C 1.863 177.694 175.800 0.053 0.000 1.090 190 F CA 0.975 59.006 58.000 0.052 0.000 1.044 190 F CB -0.628 38.395 39.000 0.039 0.000 1.018 190 F HN 0.655 nan 8.300 nan 0.000 0.560 191 G N 1.977 110.877 108.800 0.167 0.000 2.217 191 G HA2 -0.315 3.645 3.960 0.001 0.000 0.246 191 G HA3 -0.315 3.645 3.960 0.001 0.000 0.246 191 G C 1.092 176.044 174.900 0.087 0.000 0.990 191 G CA 0.210 45.390 45.100 0.133 0.000 0.627 191 G HN 0.932 nan 8.290 nan 0.000 0.522 192 A N -0.361 122.509 122.820 0.083 0.000 2.081 192 A HA 0.566 4.886 4.320 0.001 0.000 0.214 192 A C 2.148 179.749 177.584 0.027 0.000 1.158 192 A CA 1.647 53.713 52.037 0.048 0.000 0.724 192 A CB -0.175 18.855 19.000 0.049 0.000 0.826 192 A HN 0.629 nan 8.150 nan 0.000 0.463 193 I N 0.103 120.701 120.570 0.047 0.000 2.208 193 I HA -0.242 3.928 4.170 0.001 0.000 0.245 193 I C 2.213 178.343 176.117 0.022 0.000 1.097 193 I CA 1.362 62.684 61.300 0.037 0.000 1.363 193 I CB -0.221 37.808 38.000 0.048 0.000 1.051 193 I HN 0.354 nan 8.210 nan 0.000 0.413 194 Q N -0.225 119.609 119.800 0.056 0.000 2.515 194 Q HA -0.082 4.259 4.340 0.001 0.000 0.214 194 Q C 2.063 178.059 176.000 -0.008 0.000 0.971 194 Q CA 0.947 56.786 55.803 0.060 0.000 0.952 194 Q CB -0.020 28.781 28.738 0.106 0.000 0.999 194 Q HN 0.672 nan 8.270 nan 0.000 0.524 195 S N -1.240 114.447 115.700 -0.021 0.000 2.387 195 S HA -0.096 4.374 4.470 0.001 0.000 0.221 195 S C 2.074 176.631 174.600 -0.072 0.000 1.041 195 S CA 1.123 59.298 58.200 -0.042 0.000 0.959 195 S CB -0.411 62.771 63.200 -0.030 0.000 0.843 195 S HN 0.380 nan 8.310 nan 0.000 0.488 196 T N 2.003 116.496 114.554 -0.101 0.000 2.770 196 T HA 0.174 4.524 4.350 0.001 0.000 0.263 196 T C 1.832 176.396 174.700 -0.228 0.000 1.039 196 T CA 0.879 62.855 62.100 -0.208 0.000 1.142 196 T CB -0.851 67.848 68.868 -0.283 0.000 0.868 196 T HN 0.300 nan 8.240 nan 0.000 0.435 197 L N 1.147 122.290 121.223 -0.133 0.000 2.549 197 L HA 0.090 4.430 4.340 0.001 0.000 0.229 197 L C 2.101 178.929 176.870 -0.071 0.000 1.158 197 L CA 0.863 55.653 54.840 -0.084 0.000 0.842 197 L CB -0.759 41.335 42.059 0.058 0.000 0.952 197 L HN 0.314 nan 8.230 nan 0.000 0.452 198 N N -1.185 117.465 118.700 -0.084 0.000 2.336 198 N HA -0.005 4.735 4.740 0.001 0.000 0.189 198 N C 0.937 176.405 175.510 -0.071 0.000 1.113 198 N CA 0.249 53.233 53.050 -0.110 0.000 0.858 198 N CB 0.583 38.996 38.487 -0.124 0.000 0.970 198 N HN 0.077 nan 8.380 nan 0.000 0.471 199 V N -3.191 116.728 119.914 0.007 0.000 3.155 199 V HA 0.015 4.135 4.120 0.001 0.000 0.225 199 V C 2.078 178.223 176.094 0.085 0.000 1.462 199 V CA 0.755 63.184 62.300 0.214 0.000 1.270 199 V CB -0.278 31.649 31.823 0.173 0.000 1.112 199 V HN 0.322 nan 8.190 nan 0.000 0.479 200 T N -0.364 114.039 114.554 -0.252 0.000 2.822 200 T HA -0.178 4.173 4.350 0.001 0.000 0.270 200 T C 1.742 176.360 174.700 -0.137 0.000 1.064 200 T CA 2.055 63.821 62.100 -0.558 0.000 1.131 200 T CB -0.272 67.867 68.868 -1.215 0.000 0.858 200 T HN 0.210 nan 8.240 nan 0.000 0.483 201 L N 0.832 122.041 121.223 -0.023 0.000 2.056 201 L HA 0.226 4.566 4.340 0.001 0.000 0.202 201 L C 2.360 179.372 176.870 0.236 0.000 1.086 201 L CA 1.386 56.265 54.840 0.066 0.000 0.758 201 L CB -0.997 41.011 42.059 -0.086 0.000 0.912 201 L HN 0.690 nan 8.230 nan 0.000 0.446 202 W N 0.152 121.441 121.300 -0.020 0.000 2.874 202 W HA 0.060 4.720 4.660 0.001 0.000 0.242 202 W C 0.381 176.916 176.519 0.028 0.000 1.285 202 W CA 0.640 57.984 57.345 -0.002 0.000 1.379 202 W CB -1.405 28.013 29.460 -0.071 0.000 1.137 202 W HN 0.450 nan 8.180 nan 0.000 0.683 203 S N -0.450 115.255 115.700 0.008 0.000 2.204 203 S HA 0.420 4.890 4.470 0.001 0.000 0.178 203 S C -0.719 173.990 174.600 0.181 0.000 1.493 203 S CA -0.542 57.624 58.200 -0.056 0.000 1.266 203 S CB -0.874 62.233 63.200 -0.156 0.000 1.232 203 S HN 0.088 nan 8.310 nan 0.000 0.406 204 F N 0.920 120.959 119.950 0.148 0.000 3.087 204 F HA 0.480 5.008 4.527 0.001 0.000 0.371 204 F C -0.037 175.869 175.800 0.176 0.000 1.144 204 F CA -0.902 57.244 58.000 0.244 0.000 1.030 204 F CB 0.278 39.434 39.000 0.261 0.000 1.366 204 F HN 0.353 nan 8.300 nan 0.000 0.522 205 I N 1.006 121.788 120.570 0.354 0.000 2.845 205 I HA 0.230 4.401 4.170 0.001 0.000 0.296 205 I C 1.375 177.731 176.117 0.399 0.000 1.216 205 I CA 1.843 63.352 61.300 0.347 0.000 1.438 205 I CB -0.214 37.994 38.000 0.347 0.000 1.342 205 I HN 0.456 nan 8.210 nan 0.000 0.577 206 G N 3.709 112.758 108.800 0.415 0.000 2.485 206 G HA2 -0.215 3.745 3.960 0.001 0.000 0.181 206 G HA3 -0.215 3.745 3.960 0.001 0.000 0.181 206 G C 0.653 175.596 174.900 0.072 0.000 0.999 206 G CA -0.030 45.225 45.100 0.259 0.000 0.721 206 G HN 0.578 nan 8.290 nan 0.000 0.486 207 V N 0.762 120.744 119.914 0.113 0.000 2.764 207 V HA -0.168 3.952 4.120 0.001 0.000 0.261 207 V C 2.466 178.440 176.094 -0.199 0.000 1.108 207 V CA 2.735 65.035 62.300 0.001 0.000 1.129 207 V CB -0.903 30.929 31.823 0.015 0.000 0.701 207 V HN 0.798 nan 8.190 nan 0.000 0.495 208 E N 2.860 122.855 120.200 -0.342 0.000 2.077 208 E HA -0.254 4.097 4.350 0.001 0.000 0.193 208 E C 2.215 178.633 176.600 -0.304 0.000 0.989 208 E CA 1.738 57.725 56.400 -0.689 0.000 0.800 208 E CB -0.837 28.449 29.700 -0.691 0.000 0.746 208 E HN 0.770 nan 8.360 nan 0.000 0.452 209 S N 2.002 117.561 115.700 -0.235 0.000 2.399 209 S HA -0.302 4.169 4.470 0.001 0.000 0.235 209 S C 2.307 176.838 174.600 -0.114 0.000 1.063 209 S CA 1.453 59.524 58.200 -0.215 0.000 1.070 209 S CB -0.695 62.325 63.200 -0.300 0.000 0.904 209 S HN 0.494 nan 8.310 nan 0.000 0.456 210 A N 1.064 123.840 122.820 -0.073 0.000 1.929 210 A HA 0.093 4.413 4.320 0.001 0.000 0.216 210 A C 2.325 179.935 177.584 0.043 0.000 1.176 210 A CA 1.575 53.604 52.037 -0.013 0.000 0.628 210 A CB -1.014 17.989 19.000 0.006 0.000 0.816 210 A HN 0.577 nan 8.150 nan 0.000 0.444 211 S N -0.877 114.877 115.700 0.091 0.000 2.561 211 S HA 0.017 4.487 4.470 0.001 0.000 0.225 211 S C 1.456 176.147 174.600 0.153 0.000 0.977 211 S CA 1.056 59.389 58.200 0.223 0.000 0.926 211 S CB -0.277 63.244 63.200 0.536 0.000 0.769 211 S HN 0.246 nan 8.310 nan 0.000 0.533 212 V N 1.008 120.956 119.914 0.056 0.000 2.992 212 V HA 0.211 4.331 4.120 0.001 0.000 0.250 212 V C 2.577 178.682 176.094 0.018 0.000 1.090 212 V CA 1.021 63.343 62.300 0.037 0.000 1.101 212 V CB -0.652 31.181 31.823 0.016 0.000 0.743 212 V HN 0.523 nan 8.190 nan 0.000 0.468 213 A N -0.007 122.813 122.820 0.001 0.000 1.825 213 A HA 0.186 4.506 4.320 0.001 0.000 0.214 213 A C 2.178 179.770 177.584 0.013 0.000 1.206 213 A CA 2.797 54.833 52.037 -0.003 0.000 0.609 213 A CB -0.895 18.097 19.000 -0.014 0.000 0.851 213 A HN 1.084 nan 8.150 nan 0.000 0.445 214 A N -2.637 120.197 122.820 0.024 0.000 4.725 214 A HA -0.298 4.023 4.320 0.001 0.000 0.343 214 A C 2.735 180.329 177.584 0.017 0.000 1.760 214 A CA 2.884 54.937 52.037 0.027 0.000 0.747 214 A CB -2.188 16.829 19.000 0.028 0.000 1.450 214 A HN 1.960 nan 8.150 nan 0.000 0.454 215 G N -1.482 107.326 108.800 0.014 0.000 2.469 215 G HA2 0.062 4.022 3.960 0.001 0.000 0.220 215 G HA3 0.062 4.022 3.960 0.001 0.000 0.220 215 G C 1.023 175.931 174.900 0.014 0.000 1.136 215 G CA 1.933 47.041 45.100 0.013 0.000 0.759 215 G HN 1.506 nan 8.290 nan 0.000 0.562 216 V N 0.884 120.805 119.914 0.011 0.000 3.140 216 V HA 0.346 4.466 4.120 0.001 0.000 0.379 216 V C -0.214 175.880 176.094 0.000 0.000 1.296 216 V CA -0.191 62.113 62.300 0.007 0.000 1.351 216 V CB 0.104 31.929 31.823 0.004 0.000 1.311 216 V HN 0.069 nan 8.190 nan 0.000 0.508 217 V N -0.468 119.449 119.914 0.005 0.000 2.925 217 V HA 0.347 4.467 4.120 0.001 0.000 0.311 217 V C 0.980 177.079 176.094 0.008 0.000 1.104 217 V CA -1.078 61.224 62.300 0.004 0.000 0.954 217 V CB 2.465 34.292 31.823 0.008 0.000 1.022 217 V HN 0.226 nan 8.190 nan 0.000 0.427 218 K N 1.436 121.840 120.400 0.007 0.000 1.974 218 K HA -0.087 4.233 4.320 0.001 0.000 0.229 218 K C 0.418 177.024 176.600 0.010 0.000 1.038 218 K CA 1.663 57.955 56.287 0.009 0.000 1.034 218 K CB -0.088 32.417 32.500 0.009 0.000 0.742 218 K HN 0.731 nan 8.250 nan 0.000 0.446 219 N N 1.483 120.190 118.700 0.012 0.000 2.437 219 N HA 0.113 4.853 4.740 0.001 0.000 0.259 219 N C -2.383 173.137 175.510 0.017 0.000 0.983 219 N CA -1.247 51.810 53.050 0.011 0.000 0.937 219 N CB 1.698 40.193 38.487 0.013 0.000 1.122 219 N HN -0.003 nan 8.380 nan 0.000 0.499 220 P HA -0.114 nan 4.420 nan 0.000 0.213 220 P C 1.065 178.381 177.300 0.027 0.000 1.170 220 P CA 1.298 64.410 63.100 0.020 0.000 0.893 220 P CB 0.338 32.043 31.700 0.009 0.000 0.784 221 K N -0.755 119.636 120.400 -0.015 0.000 2.442 221 K HA -0.108 4.213 4.320 0.001 0.000 0.199 221 K C 1.879 178.532 176.600 0.088 0.000 1.044 221 K CA 1.015 57.272 56.287 -0.050 0.000 0.941 221 K CB 0.002 32.393 32.500 -0.181 0.000 0.759 221 K HN 0.168 nan 8.250 nan 0.000 0.472 222 R N -1.329 119.224 120.500 0.088 0.000 2.306 222 R HA 0.132 4.473 4.340 0.001 0.000 0.183 222 R C 1.623 177.977 176.300 0.090 0.000 0.937 222 R CA -0.116 56.054 56.100 0.117 0.000 1.118 222 R CB -0.190 30.158 30.300 0.081 0.000 1.224 222 R HN 0.066 nan 8.270 nan 0.000 0.597 223 N N 1.244 119.980 118.700 0.060 0.000 2.142 223 N HA -0.087 4.654 4.740 0.001 0.000 0.186 223 N C 1.946 177.485 175.510 0.050 0.000 1.023 223 N CA 1.026 54.103 53.050 0.045 0.000 0.852 223 N CB -0.091 38.413 38.487 0.028 0.000 0.998 223 N HN -0.064 nan 8.380 nan 0.000 0.424 224 V N 2.395 122.346 119.914 0.062 0.000 2.255 224 V HA -0.172 3.949 4.120 0.001 0.000 0.247 224 V C -0.688 175.452 176.094 0.077 0.000 1.051 224 V CA 1.973 64.313 62.300 0.067 0.000 1.018 224 V CB -1.256 30.617 31.823 0.083 0.000 0.641 224 V HN 0.236 nan 8.190 nan 0.000 0.445 225 P HA -0.109 nan 4.420 nan 0.000 0.213 225 P C 1.874 179.208 177.300 0.056 0.000 1.170 225 P CA 1.492 64.645 63.100 0.088 0.000 0.893 225 P CB -0.098 31.664 31.700 0.103 0.000 0.784 226 I N -0.410 120.190 120.570 0.050 0.000 2.191 226 I HA -0.386 3.785 4.170 0.001 0.000 0.248 226 I C 2.282 178.414 176.117 0.026 0.000 1.061 226 I CA 2.003 63.323 61.300 0.032 0.000 1.329 226 I CB -1.003 37.016 38.000 0.032 0.000 1.024 226 I HN -0.041 nan 8.210 nan 0.000 0.423 227 A N 0.704 123.541 122.820 0.028 0.000 1.858 227 A HA -0.271 4.049 4.320 0.001 0.000 0.216 227 A C 2.480 180.074 177.584 0.016 0.000 1.190 227 A CA 2.843 54.890 52.037 0.015 0.000 0.617 227 A CB -1.297 17.710 19.000 0.011 0.000 0.827 227 A HN 0.559 nan 8.150 nan 0.000 0.443 228 T N -1.521 113.050 114.554 0.029 0.000 2.746 228 T HA -0.129 4.221 4.350 0.001 0.000 0.267 228 T C 1.830 176.552 174.700 0.038 0.000 1.039 228 T CA 1.723 63.841 62.100 0.031 0.000 1.142 228 T CB -0.519 68.382 68.868 0.054 0.000 0.866 228 T HN 0.272 nan 8.240 nan 0.000 0.444 229 I N 1.599 122.192 120.570 0.038 0.000 2.202 229 I HA 0.083 4.254 4.170 0.001 0.000 0.242 229 I C 3.036 179.173 176.117 0.033 0.000 1.091 229 I CA 1.356 62.679 61.300 0.038 0.000 1.368 229 I CB -0.700 37.317 38.000 0.029 0.000 1.058 229 I HN 0.472 nan 8.210 nan 0.000 0.410 230 G N 0.113 108.925 108.800 0.020 0.000 2.446 230 G HA2 -0.214 3.746 3.960 0.001 0.000 0.217 230 G HA3 -0.214 3.746 3.960 0.001 0.000 0.217 230 G C 1.735 176.637 174.900 0.004 0.000 1.168 230 G CA 0.831 45.937 45.100 0.010 0.000 0.771 230 G HN 0.499 nan 8.290 nan 0.000 0.551 231 G N 0.462 109.262 108.800 0.001 0.000 2.491 231 G HA2 -0.208 3.752 3.960 0.001 0.000 0.218 231 G HA3 -0.208 3.752 3.960 0.001 0.000 0.218 231 G C 1.815 176.716 174.900 0.001 0.000 1.180 231 G CA 1.618 46.709 45.100 -0.014 0.000 0.774 231 G HN 0.352 nan 8.290 nan 0.000 0.562 232 V N 0.992 120.940 119.914 0.056 0.000 2.307 232 V HA -0.107 4.013 4.120 0.001 0.000 0.245 232 V C 2.924 179.103 176.094 0.140 0.000 1.045 232 V CA 1.469 63.856 62.300 0.146 0.000 1.024 232 V CB -0.616 31.331 31.823 0.207 0.000 0.651 232 V HN 0.332 nan 8.190 nan 0.000 0.449 233 L N -0.574 120.705 121.223 0.093 0.000 2.013 233 L HA -0.239 4.101 4.340 0.001 0.000 0.212 233 L C 2.444 179.332 176.870 0.029 0.000 1.073 233 L CA 1.861 56.745 54.840 0.075 0.000 0.753 233 L CB -0.570 41.515 42.059 0.043 0.000 0.890 233 L HN 0.269 nan 8.230 nan 0.000 0.432 234 I N -0.225 120.339 120.570 -0.011 0.000 2.127 234 I HA -0.345 3.825 4.170 0.001 0.000 0.241 234 I C 2.809 178.852 176.117 -0.125 0.000 1.075 234 I CA 1.418 62.683 61.300 -0.059 0.000 1.334 234 I CB -0.439 37.520 38.000 -0.069 0.000 1.040 234 I HN 0.240 nan 8.210 nan 0.000 0.405 235 A N 0.536 123.258 122.820 -0.164 0.000 1.908 235 A HA -0.200 4.121 4.320 0.001 0.000 0.218 235 A C 2.514 179.863 177.584 -0.392 0.000 1.181 235 A CA 2.014 53.810 52.037 -0.401 0.000 0.627 235 A CB -0.920 17.826 19.000 -0.423 0.000 0.818 235 A HN 0.465 nan 8.150 nan 0.000 0.445 236 A N -0.755 122.073 122.820 0.013 0.000 1.858 236 A HA -0.018 4.303 4.320 0.001 0.000 0.216 236 A C 2.277 179.914 177.584 0.087 0.000 1.190 236 A CA 1.799 54.008 52.037 0.286 0.000 0.617 236 A CB -1.150 18.111 19.000 0.435 0.000 0.827 236 A HN 0.408 nan 8.150 nan 0.000 0.443 237 V N -0.521 119.400 119.914 0.013 0.000 2.255 237 V HA -0.359 3.762 4.120 0.001 0.000 0.247 237 V C 2.745 178.784 176.094 -0.091 0.000 1.051 237 V CA 2.305 64.584 62.300 -0.035 0.000 1.018 237 V CB -0.866 30.937 31.823 -0.032 0.000 0.641 237 V HN 0.741 nan 8.190 nan 0.000 0.445 238 C N -1.294 117.923 119.300 -0.138 0.000 2.401 238 C HA -0.238 4.223 4.460 0.001 0.000 0.276 238 C C 2.420 177.304 174.990 -0.177 0.000 1.233 238 C CA 1.194 60.109 59.018 -0.172 0.000 1.753 238 C CB -1.323 26.271 27.740 -0.244 0.000 2.029 238 C HN 0.634 nan 8.230 nan 0.000 0.478 239 Y N 0.236 120.381 120.300 -0.258 0.000 2.081 239 Y HA -0.273 4.277 4.550 0.001 0.000 0.280 239 Y C 2.664 178.178 175.900 -0.643 0.000 1.163 239 Y CA 1.619 59.449 58.100 -0.450 0.000 1.135 239 Y CB -0.415 37.715 38.460 -0.550 0.000 0.970 239 Y HN 0.127 nan 8.280 nan 0.000 0.498 240 V N 0.425 120.106 119.914 -0.387 0.000 2.244 240 V HA -0.314 3.807 4.120 0.001 0.000 0.244 240 V C 2.089 178.024 176.094 -0.266 0.000 1.042 240 V CA 1.781 63.810 62.300 -0.452 0.000 1.006 240 V CB -0.705 30.961 31.823 -0.262 0.000 0.641 240 V HN 0.396 nan 8.190 nan 0.000 0.446 241 L N 0.976 122.105 121.223 -0.157 0.000 2.353 241 L HA -0.121 4.219 4.340 0.001 0.000 0.220 241 L C 2.498 179.324 176.870 -0.072 0.000 1.133 241 L CA 1.530 56.316 54.840 -0.090 0.000 0.798 241 L CB -0.827 41.204 42.059 -0.048 0.000 0.922 241 L HN 0.575 nan 8.230 nan 0.000 0.445 242 S N -1.211 114.428 115.700 -0.103 0.000 2.387 242 S HA -0.096 4.374 4.470 0.001 0.000 0.221 242 S C 1.771 176.327 174.600 -0.073 0.000 1.041 242 S CA 0.751 58.912 58.200 -0.064 0.000 0.959 242 S CB -0.641 62.532 63.200 -0.044 0.000 0.843 242 S HN 0.455 nan 8.310 nan 0.000 0.488 243 T N 0.529 115.011 114.554 -0.119 0.000 3.324 243 T HA 0.211 4.561 4.350 0.001 0.000 0.250 243 T C 1.192 175.837 174.700 -0.091 0.000 1.059 243 T CA 0.514 62.575 62.100 -0.065 0.000 0.951 243 T CB -0.509 68.386 68.868 0.046 0.000 1.030 243 T HN 0.593 nan 8.240 nan 0.000 0.576 244 T N -1.969 112.505 114.554 -0.133 0.000 3.022 244 T HA 0.464 4.815 4.350 0.001 0.000 0.250 244 T C 1.207 175.762 174.700 -0.242 0.000 1.060 244 T CA 0.088 62.082 62.100 -0.176 0.000 1.013 244 T CB -0.112 68.653 68.868 -0.170 0.000 0.982 244 T HN 0.465 nan 8.240 nan 0.000 0.508 245 A N 2.110 124.854 122.820 -0.126 0.000 2.899 245 A HA 0.601 4.921 4.320 0.001 0.000 0.287 245 A C 0.141 177.704 177.584 -0.036 0.000 1.715 245 A CA -0.369 51.625 52.037 -0.072 0.000 1.393 245 A CB -1.252 17.732 19.000 -0.026 0.000 1.070 245 A HN 0.785 nan 8.150 nan 0.000 0.587 246 I N 4.233 124.788 120.570 -0.026 0.000 2.598 246 I HA 0.136 4.307 4.170 0.001 0.000 0.277 246 I C 0.569 176.897 176.117 0.351 0.000 1.179 246 I CA -0.664 60.696 61.300 0.101 0.000 1.081 246 I CB 1.163 39.183 38.000 0.033 0.000 1.272 246 I HN 0.660 nan 8.210 nan 0.000 0.471 247 M N 4.657 124.552 119.600 0.491 0.000 2.299 247 M HA 0.494 4.974 4.480 0.001 0.000 0.264 247 M C 0.959 177.419 176.300 0.266 0.000 1.095 247 M CA 2.064 57.682 55.300 0.530 0.000 1.165 247 M CB -0.553 32.365 32.600 0.530 0.000 1.349 247 M HN 0.526 nan 8.290 nan 0.000 0.446 248 G N -0.511 108.409 108.800 0.201 0.000 4.130 248 G HA2 0.162 4.123 3.960 0.001 0.000 0.162 248 G HA3 0.162 4.123 3.960 0.001 0.000 0.162 248 G C 0.374 175.333 174.900 0.098 0.000 1.099 248 G CA -0.380 44.798 45.100 0.131 0.000 0.889 248 G HN 0.192 nan 8.290 nan 0.000 0.547 249 M N 1.199 120.855 119.600 0.095 0.000 2.216 249 M HA 0.159 4.639 4.480 0.001 0.000 0.317 249 M C 1.056 177.386 176.300 0.050 0.000 1.015 249 M CA 0.888 56.225 55.300 0.062 0.000 1.045 249 M CB 0.420 33.047 32.600 0.046 0.000 1.538 249 M HN 0.235 nan 8.290 nan 0.000 0.440 250 I N 0.787 121.379 120.570 0.037 0.000 4.787 250 I HA 0.115 4.285 4.170 0.001 0.000 0.309 250 I C -1.779 174.351 176.117 0.023 0.000 1.169 250 I CA -0.005 61.313 61.300 0.032 0.000 1.360 250 I CB -1.538 36.483 38.000 0.034 0.000 1.591 250 I HN 0.340 nan 8.210 nan 0.000 0.480 251 P HA 0.097 nan 4.420 nan 0.000 0.260 251 P C -0.504 176.803 177.300 0.012 0.000 1.207 251 P CA 0.783 63.892 63.100 0.016 0.000 0.780 251 P CB 0.121 31.831 31.700 0.016 0.000 0.789 274 A N 1.731 124.583 122.820 0.054 0.000 2.067 274 A HA 0.421 4.742 4.320 0.001 0.000 0.219 274 A C 2.439 180.062 177.584 0.066 0.000 1.158 274 A CA 1.999 54.065 52.037 0.048 0.000 0.661 274 A CB -1.626 17.396 19.000 0.037 0.000 0.801 274 A HN 1.067 nan 8.150 nan 0.000 0.452 275 G N -0.084 108.765 108.800 0.083 0.000 2.517 275 G HA2 -0.132 3.828 3.960 0.001 0.000 0.222 275 G HA3 -0.132 3.828 3.960 0.001 0.000 0.222 275 G C 1.628 176.597 174.900 0.116 0.000 1.109 275 G CA 1.435 46.594 45.100 0.099 0.000 0.746 275 G HN 0.808 nan 8.290 nan 0.000 0.576 276 A N 1.033 123.950 122.820 0.162 0.000 1.902 276 A HA -0.013 4.307 4.320 0.001 0.000 0.217 276 A C 2.349 179.970 177.584 0.063 0.000 1.181 276 A CA 1.368 53.536 52.037 0.219 0.000 0.623 276 A CB -0.358 18.854 19.000 0.353 0.000 0.818 276 A HN 0.433 nan 8.150 nan 0.000 0.443 277 I N -0.624 119.977 120.570 0.052 0.000 2.399 277 I HA -0.218 3.952 4.170 0.001 0.000 0.254 277 I C 2.118 178.303 176.117 0.113 0.000 1.146 277 I CA 0.968 62.297 61.300 0.049 0.000 1.412 277 I CB -0.360 37.652 38.000 0.019 0.000 1.076 277 I HN 0.159 nan 8.210 nan 0.000 0.432 278 V N 0.542 120.483 119.914 0.045 0.000 2.599 278 V HA -0.151 3.970 4.120 0.001 0.000 0.245 278 V C 2.447 178.444 176.094 -0.162 0.000 1.046 278 V CA 1.768 64.062 62.300 -0.011 0.000 1.065 278 V CB -0.128 31.737 31.823 0.070 0.000 0.703 278 V HN 0.523 nan 8.190 nan 0.000 0.464 279 S N 0.191 115.784 115.700 -0.178 0.000 2.465 279 S HA -0.225 4.246 4.470 0.001 0.000 0.241 279 S C 1.701 176.106 174.600 -0.326 0.000 1.000 279 S CA 1.926 59.908 58.200 -0.363 0.000 0.964 279 S CB -0.537 62.250 63.200 -0.688 0.000 0.763 279 S HN 0.717 nan 8.310 nan 0.000 0.512 280 F N 0.833 120.574 119.950 -0.349 0.000 2.419 280 F HA 0.250 4.777 4.527 0.001 0.000 0.283 280 F C 1.918 177.597 175.800 -0.202 0.000 1.044 280 F CA -0.165 57.695 58.000 -0.233 0.000 1.376 280 F CB -0.490 38.420 39.000 -0.150 0.000 1.131 280 F HN 0.133 nan 8.300 nan 0.000 0.585 281 C N 1.866 121.091 119.300 -0.124 0.000 2.434 281 C HA 0.053 4.513 4.460 0.001 0.000 0.298 281 C C 2.741 177.475 174.990 -0.426 0.000 1.495 281 C CA 1.010 59.839 59.018 -0.314 0.000 1.756 281 C CB -2.428 25.312 27.740 0.001 0.000 1.647 281 C HN 0.650 nan 8.230 nan 0.000 0.579 282 A N 0.308 122.819 122.820 -0.514 0.000 1.862 282 A HA 0.350 4.670 4.320 0.001 0.000 0.211 282 A C 2.306 179.467 177.584 -0.705 0.000 1.220 282 A CA 1.055 52.693 52.037 -0.664 0.000 0.616 282 A CB -1.010 17.471 19.000 -0.865 0.000 0.878 282 A HN 0.479 nan 8.150 nan 0.000 0.453 283 A N -0.101 122.373 122.820 -0.577 0.000 2.178 283 A HA 0.250 4.570 4.320 0.001 0.000 0.218 283 A C 2.203 179.525 177.584 -0.438 0.000 1.157 283 A CA 1.658 53.435 52.037 -0.432 0.000 0.689 283 A CB -0.728 18.145 19.000 -0.211 0.000 0.787 283 A HN 0.971 nan 8.150 nan 0.000 0.465 284 A N -0.500 121.962 122.820 -0.597 0.000 1.968 284 A HA 0.190 4.511 4.320 0.001 0.000 0.217 284 A C 2.273 179.656 177.584 -0.335 0.000 1.169 284 A CA 1.546 53.261 52.037 -0.536 0.000 0.638 284 A CB -1.008 17.561 19.000 -0.718 0.000 0.812 284 A HN 0.654 nan 8.150 nan 0.000 0.446 285 G N -1.007 107.587 108.800 -0.342 0.000 2.422 285 G HA2 -0.168 3.793 3.960 0.001 0.000 0.218 285 G HA3 -0.168 3.793 3.960 0.001 0.000 0.218 285 G C 1.288 176.041 174.900 -0.244 0.000 1.140 285 G CA 1.371 46.313 45.100 -0.264 0.000 0.775 285 G HN 0.559 nan 8.290 nan 0.000 0.545 286 C N -0.051 119.081 119.300 -0.280 0.000 2.696 286 C HA 0.377 4.837 4.460 0.001 0.000 0.264 286 C C 2.466 177.314 174.990 -0.235 0.000 1.288 286 C CA -0.498 58.374 59.018 -0.244 0.000 1.717 286 C CB -1.093 26.506 27.740 -0.235 0.000 1.893 286 C HN 0.444 nan 8.230 nan 0.000 0.577 287 L N 1.791 122.906 121.223 -0.180 0.000 2.027 287 L HA 0.044 4.384 4.340 0.001 0.000 0.206 287 L C 2.494 179.215 176.870 -0.247 0.000 1.074 287 L CA 2.013 56.828 54.840 -0.041 0.000 0.745 287 L CB -0.581 41.508 42.059 0.050 0.000 0.898 287 L HN 0.404 nan 8.230 nan 0.000 0.433 288 G N -1.688 106.992 108.800 -0.200 0.000 2.396 288 G HA2 -0.238 3.722 3.960 0.001 0.000 0.214 288 G HA3 -0.238 3.722 3.960 0.001 0.000 0.214 288 G C 1.606 176.349 174.900 -0.262 0.000 1.166 288 G CA 0.689 45.674 45.100 -0.192 0.000 0.793 288 G HN 0.443 nan 8.290 nan 0.000 0.533 289 S N 0.517 116.083 115.700 -0.224 0.000 2.414 289 S HA -0.172 4.298 4.470 0.001 0.000 0.225 289 S C 2.410 176.903 174.600 -0.179 0.000 1.041 289 S CA 1.594 59.719 58.200 -0.126 0.000 1.114 289 S CB -0.669 62.469 63.200 -0.104 0.000 1.064 289 S HN 0.255 nan 8.310 nan 0.000 0.420 290 L N 0.939 121.949 121.223 -0.354 0.000 2.151 290 L HA -0.166 4.174 4.340 0.001 0.000 0.215 290 L C 2.704 179.393 176.870 -0.301 0.000 1.084 290 L CA 1.537 56.181 54.840 -0.328 0.000 0.764 290 L CB -1.339 40.465 42.059 -0.424 0.000 0.891 290 L HN 0.639 nan 8.230 nan 0.000 0.435 291 G N -0.687 107.789 108.800 -0.541 0.000 2.434 291 G HA2 -0.180 3.780 3.960 0.001 0.000 0.214 291 G HA3 -0.180 3.780 3.960 0.001 0.000 0.214 291 G C 1.537 176.390 174.900 -0.078 0.000 1.202 291 G CA 0.692 45.661 45.100 -0.218 0.000 0.788 291 G HN 0.479 nan 8.290 nan 0.000 0.539 292 G N -0.035 108.706 108.800 -0.099 0.000 2.491 292 G HA2 -0.280 3.680 3.960 0.001 0.000 0.218 292 G HA3 -0.280 3.680 3.960 0.001 0.000 0.218 292 G C 1.629 176.468 174.900 -0.101 0.000 1.180 292 G CA 0.986 46.027 45.100 -0.098 0.000 0.774 292 G HN 0.472 nan 8.290 nan 0.000 0.562 293 W N 1.282 122.510 121.300 -0.120 0.000 2.358 293 W HA -0.059 4.601 4.660 0.001 0.000 0.303 293 W C 3.336 179.797 176.519 -0.097 0.000 1.208 293 W CA 2.412 59.693 57.345 -0.107 0.000 1.274 293 W CB -0.455 28.929 29.460 -0.125 0.000 1.138 293 W HN 0.311 nan 8.180 nan 0.000 0.515 294 T N -1.492 113.136 114.554 0.124 0.000 2.867 294 T HA -0.219 4.132 4.350 0.001 0.000 0.268 294 T C 1.914 176.643 174.700 0.048 0.000 1.057 294 T CA 1.237 63.381 62.100 0.073 0.000 1.136 294 T CB -0.698 68.197 68.868 0.045 0.000 0.874 294 T HN 0.196 nan 8.240 nan 0.000 0.466 295 L N 0.494 121.727 121.223 0.017 0.000 2.042 295 L HA -0.032 4.308 4.340 0.001 0.000 0.210 295 L C 2.496 179.358 176.870 -0.014 0.000 1.076 295 L CA 1.714 56.555 54.840 0.001 0.000 0.749 295 L CB -0.372 41.671 42.059 -0.026 0.000 0.893 295 L HN 0.389 nan 8.230 nan 0.000 0.432 296 L N -0.718 120.467 121.223 -0.064 0.000 2.156 296 L HA -0.077 4.263 4.340 0.001 0.000 0.208 296 L C 2.640 179.501 176.870 -0.014 0.000 1.095 296 L CA 0.868 55.659 54.840 -0.081 0.000 0.770 296 L CB -0.841 41.076 42.059 -0.236 0.000 0.914 296 L HN 0.243 nan 8.230 nan 0.000 0.439 297 A N 0.420 123.260 122.820 0.034 0.000 2.167 297 A HA 0.106 4.426 4.320 0.001 0.000 0.214 297 A C 2.278 180.033 177.584 0.284 0.000 1.151 297 A CA 1.092 53.228 52.037 0.165 0.000 0.735 297 A CB -0.628 18.410 19.000 0.064 0.000 0.802 297 A HN 0.410 nan 8.150 nan 0.000 0.467 298 G N -1.120 107.764 108.800 0.139 0.000 2.408 298 G HA2 -0.065 3.895 3.960 0.001 0.000 0.213 298 G HA3 -0.065 3.895 3.960 0.001 0.000 0.213 298 G C 1.556 176.478 174.900 0.036 0.000 1.177 298 G CA 0.541 45.702 45.100 0.102 0.000 0.802 298 G HN 0.399 nan 8.290 nan 0.000 0.533 299 Q N 0.677 120.496 119.800 0.032 0.000 1.965 299 Q HA -0.059 4.281 4.340 0.001 0.000 0.200 299 Q C 1.921 177.921 176.000 0.000 0.000 0.981 299 Q CA 1.258 57.068 55.803 0.011 0.000 0.834 299 Q CB -1.219 27.527 28.738 0.015 0.000 0.900 299 Q HN 0.302 nan 8.270 nan 0.000 0.426 300 T N 1.092 115.677 114.554 0.052 0.000 3.802 300 T HA 0.303 4.653 4.350 0.001 0.000 0.243 300 T C 0.580 175.273 174.700 -0.011 0.000 0.934 300 T CA 0.540 62.684 62.100 0.073 0.000 0.931 300 T CB -0.325 68.724 68.868 0.302 0.000 1.167 300 T HN 0.389 nan 8.240 nan 0.000 0.655 301 A N 0.616 123.359 122.820 -0.129 0.000 1.461 301 A HA 0.253 4.573 4.320 0.001 0.000 0.209 301 A C 1.532 178.908 177.584 -0.346 0.000 1.769 301 A CA -0.378 51.510 52.037 -0.248 0.000 1.456 301 A CB -0.173 18.521 19.000 -0.509 0.000 1.363 301 A HN 0.236 nan 8.150 nan 0.000 0.395 302 K N 1.921 122.102 120.400 -0.365 0.000 2.360 302 K HA 0.212 4.533 4.320 0.001 0.000 0.201 302 K C 1.731 178.255 176.600 -0.127 0.000 1.046 302 K CA 1.270 57.402 56.287 -0.259 0.000 0.945 302 K CB -0.774 31.656 32.500 -0.116 0.000 0.750 302 K HN 0.560 nan 8.250 nan 0.000 0.464 303 A N 1.189 123.937 122.820 -0.119 0.000 1.822 303 A HA 0.011 4.332 4.320 0.001 0.000 0.214 303 A C 2.297 179.832 177.584 -0.082 0.000 1.245 303 A CA 1.790 53.788 52.037 -0.066 0.000 0.608 303 A CB -1.387 17.585 19.000 -0.046 0.000 0.896 303 A HN 0.235 nan 8.150 nan 0.000 0.457 304 A N -0.517 122.148 122.820 -0.258 0.000 2.159 304 A HA -0.005 4.316 4.320 0.001 0.000 0.222 304 A C 2.265 179.782 177.584 -0.111 0.000 1.163 304 A CA 2.408 54.249 52.037 -0.326 0.000 0.664 304 A CB -1.029 17.406 19.000 -0.942 0.000 0.803 304 A HN 1.322 nan 8.150 nan 0.000 0.470 305 A N -0.919 121.860 122.820 -0.070 0.000 2.067 305 A HA -0.054 4.267 4.320 0.001 0.000 0.219 305 A C 1.693 179.276 177.584 -0.001 0.000 1.158 305 A CA 1.523 53.555 52.037 -0.008 0.000 0.661 305 A CB -0.218 18.751 19.000 -0.052 0.000 0.801 305 A HN 0.546 nan 8.150 nan 0.000 0.452 306 D N -0.054 120.350 120.400 0.007 0.000 2.267 306 D HA -0.058 4.583 4.640 0.001 0.000 0.258 306 D C 1.094 177.432 176.300 0.065 0.000 1.207 306 D CA 0.687 54.706 54.000 0.031 0.000 0.954 306 D CB -0.641 40.179 40.800 0.034 0.000 0.975 306 D HN 0.165 nan 8.370 nan 0.000 0.371 307 D N 0.209 120.674 120.400 0.109 0.000 3.048 307 D HA -0.213 4.428 4.640 0.001 0.000 0.192 307 D C 1.392 177.789 176.300 0.160 0.000 1.125 307 D CA 2.200 56.290 54.000 0.151 0.000 0.878 307 D CB -0.246 40.704 40.800 0.250 0.000 0.924 307 D HN 0.420 nan 8.370 nan 0.000 0.496 308 G N -1.495 107.421 108.800 0.195 0.000 3.009 308 G HA2 0.507 4.468 3.960 0.001 0.000 0.183 308 G HA3 0.507 4.468 3.960 0.001 0.000 0.183 308 G C -0.505 174.333 174.900 -0.104 0.000 1.613 308 G CA -0.258 44.911 45.100 0.114 0.000 0.910 308 G HN 0.163 nan 8.290 nan 0.000 0.785 309 L N -1.064 119.885 121.223 -0.456 0.000 2.303 309 L HA 0.692 5.032 4.340 0.001 0.000 0.256 309 L C -0.128 176.454 176.870 -0.480 0.000 1.034 309 L CA -0.713 53.837 54.840 -0.484 0.000 0.832 309 L CB 2.926 44.669 42.059 -0.527 0.000 1.403 309 L HN 0.461 nan 8.230 nan 0.000 0.419 310 F N -0.364 119.349 119.950 -0.394 0.000 2.212 310 F HA 0.379 4.906 4.527 0.001 0.000 0.262 310 F C -1.653 173.970 175.800 -0.294 0.000 0.906 310 F CA -0.194 57.606 58.000 -0.332 0.000 1.127 310 F CB 0.386 39.213 39.000 -0.289 0.000 1.178 310 F HN 0.306 nan 8.300 nan 0.000 0.779 311 P HA 0.315 nan 4.420 nan 0.000 0.274 311 P C -2.772 174.575 177.300 0.078 0.000 1.237 311 P CA -0.997 62.116 63.100 0.022 0.000 0.793 311 P CB 0.806 32.469 31.700 -0.061 0.000 0.977 312 P HA 0.563 nan 4.420 nan 0.000 0.334 312 P C -0.644 176.644 177.300 -0.020 0.000 1.410 312 P CA -0.519 62.619 63.100 0.064 0.000 1.298 312 P CB 1.742 33.506 31.700 0.107 0.000 2.080 313 I N -2.049 118.489 120.570 -0.054 0.000 4.317 313 I HA -0.255 3.915 4.170 0.001 0.000 0.310 313 I C 0.192 176.362 176.117 0.089 0.000 3.000 313 I CA -0.277 60.953 61.300 -0.117 0.000 1.297 313 I CB -1.178 36.581 38.000 -0.402 0.000 2.916 313 I HN 0.489 nan 8.210 nan 0.000 0.634 314 F N 1.602 121.436 119.950 -0.193 0.000 2.264 314 F HA 0.214 4.741 4.527 0.001 0.000 0.397 314 F C 1.270 176.994 175.800 -0.126 0.000 0.979 314 F CA -0.416 57.487 58.000 -0.161 0.000 0.973 314 F CB -1.186 37.694 39.000 -0.201 0.000 0.825 314 F HN 1.044 nan 8.300 nan 0.000 0.508 315 A N 3.194 126.074 122.820 0.101 0.000 6.152 315 A HA -0.297 4.023 4.320 0.001 0.000 0.308 315 A C 1.461 179.097 177.584 0.085 0.000 1.919 315 A CA 1.177 53.257 52.037 0.072 0.000 0.811 315 A CB -0.489 18.536 19.000 0.042 0.000 1.220 315 A HN 0.855 nan 8.150 nan 0.000 0.409 316 R N -1.014 119.508 120.500 0.037 0.000 2.276 316 R HA 0.285 4.625 4.340 0.001 0.000 0.196 316 R C 0.501 176.812 176.300 0.018 0.000 0.961 316 R CA 0.957 57.066 56.100 0.015 0.000 1.024 316 R CB -0.517 29.778 30.300 -0.007 0.000 0.940 316 R HN 1.509 nan 8.270 nan 0.000 0.480 317 V N 1.655 121.586 119.914 0.028 0.000 6.301 317 V HA -0.222 3.899 4.120 0.001 0.000 0.312 317 V C -0.496 175.610 176.094 0.019 0.000 0.521 317 V CA -0.081 62.235 62.300 0.027 0.000 0.823 317 V CB -2.342 29.496 31.823 0.025 0.000 0.764 317 V HN 0.367 nan 8.190 nan 0.000 0.613 318 N N 2.804 121.515 118.700 0.019 0.000 2.256 318 N HA 0.083 4.824 4.740 0.001 0.000 0.277 318 N C 0.552 176.069 175.510 0.013 0.000 1.362 318 N CA 0.814 53.871 53.050 0.013 0.000 0.861 318 N CB 0.253 38.749 38.487 0.015 0.000 1.136 318 N HN 0.722 nan 8.380 nan 0.000 0.492 319 K N 2.341 122.744 120.400 0.005 0.000 2.609 319 K HA -0.042 4.279 4.320 0.001 0.000 0.274 319 K C 0.758 177.360 176.600 0.003 0.000 0.977 319 K CA 0.939 57.228 56.287 0.003 0.000 1.008 319 K CB 0.060 32.557 32.500 -0.005 0.000 0.843 319 K HN 0.687 nan 8.250 nan 0.000 0.504 320 A N 0.414 123.236 122.820 0.003 0.000 3.009 320 A HA 0.007 4.328 4.320 0.001 0.000 0.264 320 A C 0.756 178.361 177.584 0.035 0.000 1.408 320 A CA 1.030 53.069 52.037 0.004 0.000 0.789 320 A CB -2.361 16.620 19.000 -0.032 0.000 1.040 320 A HN 1.927 nan 8.150 nan 0.000 0.576 321 G N -1.969 106.853 108.800 0.037 0.000 2.660 321 G HA2 0.397 4.358 3.960 0.001 0.000 0.215 321 G HA3 0.397 4.358 3.960 0.001 0.000 0.215 321 G C 0.520 175.450 174.900 0.050 0.000 1.345 321 G CA 1.429 46.557 45.100 0.048 0.000 0.877 321 G HN 3.020 nan 8.290 nan 0.000 0.549 322 T N -3.655 110.931 114.554 0.054 0.000 0.541 322 T HA 0.089 4.439 4.350 0.001 0.000 0.774 322 T C -2.512 172.218 174.700 0.051 0.000 0.992 322 T CA 1.043 63.176 62.100 0.056 0.000 4.077 322 T CB -0.774 68.132 68.868 0.064 0.000 2.303 322 T HN 1.541 nan 8.240 nan 0.000 0.398 323 P HA 0.592 nan 4.420 nan 0.000 0.195 323 P C 1.280 178.622 177.300 0.071 0.000 1.887 323 P CA -0.695 62.445 63.100 0.067 0.000 1.161 323 P CB 1.089 32.840 31.700 0.085 0.000 1.759 324 V N 2.354 122.301 119.914 0.055 0.000 2.257 324 V HA -0.408 3.712 4.120 0.001 0.000 0.257 324 V C 2.437 178.563 176.094 0.052 0.000 1.077 324 V CA 3.091 65.424 62.300 0.053 0.000 1.063 324 V CB -1.138 30.707 31.823 0.036 0.000 0.664 324 V HN 0.441 nan 8.190 nan 0.000 0.450 325 A N -0.598 122.242 122.820 0.032 0.000 1.883 325 A HA -0.112 4.209 4.320 0.001 0.000 0.217 325 A C 2.326 179.922 177.584 0.019 0.000 1.186 325 A CA 2.236 54.270 52.037 -0.006 0.000 0.624 325 A CB -1.323 17.646 19.000 -0.051 0.000 0.822 325 A HN 0.628 nan 8.150 nan 0.000 0.444 326 G N 0.059 108.932 108.800 0.122 0.000 2.604 326 G HA2 -0.131 3.830 3.960 0.001 0.000 0.216 326 G HA3 -0.131 3.830 3.960 0.001 0.000 0.216 326 G C 1.337 176.347 174.900 0.183 0.000 1.265 326 G CA 1.286 46.551 45.100 0.274 0.000 0.804 326 G HN 0.382 nan 8.290 nan 0.000 0.579 327 L N 0.626 121.925 121.223 0.127 0.000 2.079 327 L HA -0.015 4.326 4.340 0.001 0.000 0.210 327 L C 2.742 179.627 176.870 0.026 0.000 1.081 327 L CA 0.931 55.816 54.840 0.075 0.000 0.752 327 L CB -0.646 41.453 42.059 0.067 0.000 0.896 327 L HN 0.198 nan 8.230 nan 0.000 0.433 328 I N -0.645 119.972 120.570 0.078 0.000 2.423 328 I HA -0.297 3.873 4.170 0.001 0.000 0.254 328 I C 2.158 178.317 176.117 0.071 0.000 1.151 328 I CA 1.132 62.513 61.300 0.135 0.000 1.421 328 I CB -0.116 37.972 38.000 0.147 0.000 1.079 328 I HN 0.231 nan 8.210 nan 0.000 0.431 329 I N -0.819 119.752 120.570 0.002 0.000 2.500 329 I HA -0.140 4.031 4.170 0.001 0.000 0.252 329 I C 2.309 178.354 176.117 -0.119 0.000 1.142 329 I CA 0.715 61.978 61.300 -0.061 0.000 1.451 329 I CB -0.453 37.466 38.000 -0.135 0.000 1.093 329 I HN 0.008 nan 8.210 nan 0.000 0.430 330 V N 1.671 121.529 119.914 -0.094 0.000 2.626 330 V HA -0.131 3.989 4.120 0.001 0.000 0.252 330 V C 2.594 178.449 176.094 -0.399 0.000 1.067 330 V CA 1.887 64.035 62.300 -0.253 0.000 1.081 330 V CB -1.342 30.414 31.823 -0.110 0.000 0.686 330 V HN 0.534 nan 8.190 nan 0.000 0.468 331 G N 0.572 109.094 108.800 -0.463 0.000 2.464 331 G HA2 -0.173 3.788 3.960 0.001 0.000 0.214 331 G HA3 -0.173 3.788 3.960 0.001 0.000 0.214 331 G C 1.515 176.197 174.900 -0.364 0.000 1.218 331 G CA 0.987 45.491 45.100 -0.992 0.000 0.794 331 G HN 0.450 nan 8.290 nan 0.000 0.542 332 I N 0.360 120.974 120.570 0.073 0.000 2.091 332 I HA -0.225 3.946 4.170 0.001 0.000 0.240 332 I C 2.688 178.789 176.117 -0.027 0.000 1.046 332 I CA 0.798 62.188 61.300 0.150 0.000 1.306 332 I CB -0.484 37.563 38.000 0.079 0.000 1.018 332 I HN 0.081 nan 8.210 nan 0.000 0.404 333 L N 0.209 121.309 121.223 -0.204 0.000 1.955 333 L HA -0.258 4.082 4.340 0.001 0.000 0.213 333 L C 2.617 179.337 176.870 -0.251 0.000 1.072 333 L CA 2.134 56.762 54.840 -0.353 0.000 0.755 333 L CB -0.922 40.637 42.059 -0.833 0.000 0.888 333 L HN 0.316 nan 8.230 nan 0.000 0.432 334 M N -1.053 118.337 119.600 -0.349 0.000 2.108 334 M HA -0.294 4.187 4.480 0.001 0.000 0.257 334 M C 1.992 178.314 176.300 0.036 0.000 1.071 334 M CA 2.495 57.743 55.300 -0.087 0.000 1.093 334 M CB -0.202 32.288 32.600 -0.184 0.000 1.345 334 M HN 0.325 nan 8.290 nan 0.000 0.403 335 T N 0.901 115.447 114.554 -0.013 0.000 2.545 335 T HA -0.190 4.161 4.350 0.001 0.000 0.261 335 T C 1.587 176.355 174.700 0.112 0.000 1.097 335 T CA 2.106 64.261 62.100 0.090 0.000 1.189 335 T CB -0.654 68.340 68.868 0.209 0.000 0.863 335 T HN 0.424 nan 8.240 nan 0.000 0.405 336 I N 0.503 121.139 120.570 0.110 0.000 2.161 336 I HA -0.295 3.875 4.170 0.001 0.000 0.246 336 I C 2.136 178.365 176.117 0.187 0.000 1.048 336 I CA 1.783 63.157 61.300 0.123 0.000 1.314 336 I CB -0.547 37.516 38.000 0.105 0.000 1.014 336 I HN 0.143 nan 8.210 nan 0.000 0.418 337 F N 1.240 121.238 119.950 0.081 0.000 2.060 337 F HA -0.199 4.329 4.527 0.001 0.000 0.295 337 F C 2.672 178.509 175.800 0.062 0.000 1.120 337 F CA 1.644 59.700 58.000 0.092 0.000 1.205 337 F CB -0.723 38.370 39.000 0.155 0.000 0.986 337 F HN -0.003 nan 8.300 nan 0.000 0.470 338 Q N 0.866 120.681 119.800 0.026 0.000 2.224 338 Q HA -0.215 4.126 4.340 0.001 0.000 0.213 338 Q C 1.116 177.034 176.000 -0.135 0.000 0.998 338 Q CA 2.035 57.782 55.803 -0.094 0.000 0.895 338 Q CB -0.852 27.894 28.738 0.013 0.000 0.926 338 Q HN 0.597 nan 8.270 nan 0.000 0.417 339 L N -2.330 118.853 121.223 -0.067 0.000 3.048 339 L HA 0.403 4.744 4.340 0.001 0.000 0.234 339 L C 0.524 177.354 176.870 -0.067 0.000 1.318 339 L CA -0.049 54.757 54.840 -0.056 0.000 1.109 339 L CB 0.936 42.992 42.059 -0.004 0.000 1.480 339 L HN -0.189 nan 8.230 nan 0.000 0.495 340 S N -1.994 113.614 115.700 -0.154 0.000 2.227 340 S HA -0.004 4.466 4.470 0.001 0.000 0.267 340 S C 0.939 175.393 174.600 -0.244 0.000 0.987 340 S CA 0.094 58.218 58.200 -0.126 0.000 1.448 340 S CB 0.311 63.492 63.200 -0.032 0.000 1.118 340 S HN 0.416 nan 8.310 nan 0.000 0.555 341 S N 1.941 117.338 115.700 -0.505 0.000 2.699 341 S HA 0.390 4.861 4.470 0.001 0.000 0.251 341 S C 1.205 175.640 174.600 -0.275 0.000 1.179 341 S CA -0.317 57.583 58.200 -0.501 0.000 1.200 341 S CB -0.904 61.715 63.200 -0.968 0.000 0.848 341 S HN 0.383 nan 8.310 nan 0.000 0.472 342 I N 0.723 121.187 120.570 -0.176 0.000 2.099 342 I HA -0.129 4.042 4.170 0.001 0.000 0.239 342 I C 0.863 176.937 176.117 -0.072 0.000 1.066 342 I CA 0.777 62.015 61.300 -0.103 0.000 1.324 342 I CB -0.185 37.775 38.000 -0.066 0.000 1.037 342 I HN 0.416 nan 8.210 nan 0.000 0.401 343 S N -1.646 114.020 115.700 -0.056 0.000 3.260 343 S HA -0.040 4.430 4.470 0.001 0.000 0.791 343 S C -2.419 172.147 174.600 -0.058 0.000 0.945 343 S CA -1.110 57.057 58.200 -0.054 0.000 1.263 343 S CB -0.915 62.249 63.200 -0.060 0.000 0.870 343 S HN -0.012 nan 8.310 nan 0.000 0.273 344 P HA 0.405 nan 4.420 nan 0.000 0.271 344 P C 0.604 177.892 177.300 -0.020 0.000 1.238 344 P CA 0.325 63.416 63.100 -0.016 0.000 0.794 344 P CB 0.261 31.960 31.700 -0.002 0.000 0.959 345 N N -0.847 117.861 118.700 0.014 0.000 3.647 345 N HA 0.034 4.774 4.740 0.001 0.000 0.117 345 N C -1.301 174.248 175.510 0.066 0.000 0.981 345 N CA 0.872 53.950 53.050 0.046 0.000 3.222 345 N CB -1.257 37.253 38.487 0.037 0.000 1.203 345 N HN 0.572 nan 8.380 nan 0.000 0.847 346 A N 0.117 122.969 122.820 0.053 0.000 1.937 346 A HA -0.056 4.265 4.320 0.001 0.000 0.245 346 A C 0.812 178.433 177.584 0.062 0.000 1.310 346 A CA 0.856 52.932 52.037 0.065 0.000 0.668 346 A CB -2.298 16.759 19.000 0.096 0.000 1.247 346 A HN 1.386 nan 8.150 nan 0.000 0.260 347 T N -0.414 114.166 114.554 0.043 0.000 3.928 347 T HA 0.450 4.800 4.350 0.001 0.000 0.247 347 T C 0.408 175.133 174.700 0.043 0.000 0.955 347 T CA 1.418 63.535 62.100 0.029 0.000 0.935 347 T CB -0.717 68.161 68.868 0.017 0.000 1.180 347 T HN 0.947 nan 8.240 nan 0.000 0.660 348 K N -0.538 119.903 120.400 0.068 0.000 2.872 348 K HA 0.166 4.487 4.320 0.001 0.000 0.291 348 K C -0.846 175.828 176.600 0.122 0.000 1.000 348 K CA -1.067 55.267 56.287 0.080 0.000 0.750 348 K CB 0.920 33.470 32.500 0.084 0.000 1.415 348 K HN 0.300 nan 8.250 nan 0.000 0.361 349 E N 0.176 120.456 120.200 0.133 0.000 2.516 349 E HA -0.090 4.261 4.350 0.001 0.000 0.270 349 E C -0.546 176.257 176.600 0.338 0.000 1.130 349 E CA 0.998 57.495 56.400 0.162 0.000 1.023 349 E CB -0.088 29.684 29.700 0.120 0.000 1.004 349 E HN 0.459 nan 8.360 nan 0.000 0.463 350 F N -0.840 119.286 119.950 0.293 0.000 3.018 350 F HA -0.179 4.348 4.527 0.001 0.000 0.287 350 F C 1.421 177.280 175.800 0.097 0.000 0.813 350 F CA 0.790 58.897 58.000 0.178 0.000 1.209 350 F CB -1.749 37.299 39.000 0.080 0.000 1.321 350 F HN 0.687 nan 8.300 nan 0.000 0.477 351 G N -0.033 108.900 108.800 0.222 0.000 2.959 351 G HA2 0.126 4.087 3.960 0.001 0.000 0.203 351 G HA3 0.126 4.087 3.960 0.001 0.000 0.203 351 G C 1.353 176.329 174.900 0.127 0.000 1.176 351 G CA 0.542 45.736 45.100 0.157 0.000 0.860 351 G HN 0.630 nan 8.290 nan 0.000 0.507 352 L N -2.623 118.685 121.223 0.142 0.000 4.839 352 L HA -0.295 4.045 4.340 0.001 0.000 0.445 352 L C 1.232 178.109 176.870 0.011 0.000 1.101 352 L CA 1.002 55.902 54.840 0.101 0.000 0.952 352 L CB -0.750 41.367 42.059 0.095 0.000 1.871 352 L HN 0.257 nan 8.230 nan 0.000 0.893 353 V N -4.483 115.440 119.914 0.015 0.000 3.188 353 V HA 0.009 4.129 4.120 0.001 0.000 0.258 353 V C 1.454 177.517 176.094 -0.052 0.000 1.702 353 V CA 0.791 63.054 62.300 -0.062 0.000 1.020 353 V CB 0.923 32.728 31.823 -0.030 0.000 0.884 353 V HN 0.305 nan 8.190 nan 0.000 0.399 354 S N 1.802 117.523 115.700 0.034 0.000 2.436 354 S HA -0.108 4.362 4.470 0.001 0.000 0.228 354 S C 2.055 176.633 174.600 -0.037 0.000 1.014 354 S CA 1.942 60.146 58.200 0.007 0.000 0.950 354 S CB -0.017 63.212 63.200 0.048 0.000 0.784 354 S HN 0.765 nan 8.310 nan 0.000 0.504 355 S N 0.697 116.406 115.700 0.015 0.000 2.456 355 S HA 0.083 4.553 4.470 0.001 0.000 0.224 355 S C 1.743 176.315 174.600 -0.047 0.000 1.035 355 S CA 0.742 58.976 58.200 0.057 0.000 0.940 355 S CB -0.617 62.660 63.200 0.128 0.000 0.799 355 S HN 0.350 nan 8.310 nan 0.000 0.508 356 V N 3.538 123.363 119.914 -0.150 0.000 2.490 356 V HA -0.128 3.992 4.120 0.001 0.000 0.250 356 V C 2.945 178.637 176.094 -0.670 0.000 1.061 356 V CA 1.774 63.825 62.300 -0.415 0.000 1.064 356 V CB -1.418 30.154 31.823 -0.418 0.000 0.670 356 V HN 0.796 nan 8.190 nan 0.000 0.461 357 S N -0.855 114.666 115.700 -0.297 0.000 2.555 357 S HA -0.026 4.444 4.470 0.001 0.000 0.230 357 S C 1.615 176.226 174.600 0.018 0.000 0.978 357 S CA 1.098 59.278 58.200 -0.033 0.000 0.934 357 S CB 0.108 63.224 63.200 -0.141 0.000 0.766 357 S HN 0.338 nan 8.310 nan 0.000 0.533 358 V N 1.132 121.023 119.914 -0.039 0.000 2.521 358 V HA 0.178 4.298 4.120 0.001 0.000 0.239 358 V C 2.285 178.458 176.094 0.132 0.000 1.053 358 V CA 0.813 63.150 62.300 0.061 0.000 1.073 358 V CB -0.402 31.457 31.823 0.060 0.000 0.746 358 V HN 0.435 nan 8.190 nan 0.000 0.476 359 I N -0.276 120.319 120.570 0.042 0.000 2.194 359 I HA -0.279 3.891 4.170 0.001 0.000 0.246 359 I C 2.386 178.603 176.117 0.167 0.000 1.093 359 I CA 1.699 63.040 61.300 0.068 0.000 1.355 359 I CB -0.469 37.512 38.000 -0.031 0.000 1.046 359 I HN 0.221 nan 8.210 nan 0.000 0.413 360 F N 1.340 121.358 119.950 0.114 0.000 2.085 360 F HA -0.335 4.193 4.527 0.001 0.000 0.299 360 F C 3.038 178.925 175.800 0.145 0.000 1.096 360 F CA 2.043 60.108 58.000 0.108 0.000 1.227 360 F CB -1.777 37.267 39.000 0.073 0.000 0.983 360 F HN 0.237 nan 8.300 nan 0.000 0.482 361 T N -1.616 113.186 114.554 0.413 0.000 3.007 361 T HA -0.110 4.240 4.350 0.001 0.000 0.270 361 T C 1.968 176.844 174.700 0.293 0.000 1.107 361 T CA 0.723 63.039 62.100 0.360 0.000 1.118 361 T CB -0.358 68.790 68.868 0.467 0.000 0.889 361 T HN 0.013 nan 8.240 nan 0.000 0.506 362 L N 1.107 122.546 121.223 0.360 0.000 2.027 362 L HA 0.060 4.401 4.340 0.001 0.000 0.206 362 L C 2.965 179.947 176.870 0.186 0.000 1.074 362 L CA 1.013 56.081 54.840 0.381 0.000 0.745 362 L CB -1.502 40.715 42.059 0.264 0.000 0.898 362 L HN 0.226 nan 8.230 nan 0.000 0.433 363 V N 0.585 120.545 119.914 0.076 0.000 2.380 363 V HA -0.219 3.902 4.120 0.001 0.000 0.251 363 V C -0.113 175.837 176.094 -0.241 0.000 1.063 363 V CA 1.960 64.172 62.300 -0.147 0.000 1.055 363 V CB -1.615 30.143 31.823 -0.109 0.000 0.657 363 V HN 0.311 nan 8.190 nan 0.000 0.455 364 P HA -0.111 nan 4.420 nan 0.000 0.217 364 P C 1.363 178.621 177.300 -0.069 0.000 1.151 364 P CA 1.328 64.361 63.100 -0.113 0.000 0.828 364 P CB -0.105 31.401 31.700 -0.324 0.000 0.788 365 Y N -0.708 119.624 120.300 0.053 0.000 2.145 365 Y HA -0.157 4.393 4.550 0.001 0.000 0.286 365 Y C 2.445 178.320 175.900 -0.043 0.000 1.145 365 Y CA 0.938 59.099 58.100 0.103 0.000 1.148 365 Y CB -1.377 37.143 38.460 0.099 0.000 0.981 365 Y HN -0.137 nan 8.280 nan 0.000 0.507 366 L N -0.791 120.464 121.223 0.054 0.000 2.043 366 L HA -0.320 4.020 4.340 0.001 0.000 0.212 366 L C 1.961 178.806 176.870 -0.041 0.000 1.075 366 L CA 2.197 56.986 54.840 -0.086 0.000 0.752 366 L CB -0.818 41.173 42.059 -0.112 0.000 0.891 366 L HN 0.406 nan 8.230 nan 0.000 0.432 367 Y N -0.821 119.485 120.300 0.009 0.000 2.373 367 Y HA -0.179 4.371 4.550 0.001 0.000 0.293 367 Y C 2.636 178.504 175.900 -0.053 0.000 1.129 367 Y CA 0.831 58.933 58.100 0.003 0.000 1.226 367 Y CB -0.125 38.344 38.460 0.015 0.000 1.000 367 Y HN 0.199 nan 8.280 nan 0.000 0.549 368 T N -0.644 113.937 114.554 0.045 0.000 2.746 368 T HA -0.203 4.148 4.350 0.001 0.000 0.267 368 T C 1.970 176.521 174.700 -0.250 0.000 1.039 368 T CA 1.391 63.389 62.100 -0.171 0.000 1.142 368 T CB -0.602 67.950 68.868 -0.527 0.000 0.866 368 T HN 0.438 nan 8.240 nan 0.000 0.444 369 C N 1.555 120.699 119.300 -0.259 0.000 2.432 369 C HA 0.087 4.547 4.460 0.001 0.000 0.277 369 C C 3.162 178.092 174.990 -0.101 0.000 1.249 369 C CA 0.276 59.073 59.018 -0.367 0.000 1.725 369 C CB -1.446 25.709 27.740 -0.975 0.000 2.028 369 C HN 0.653 nan 8.230 nan 0.000 0.477 370 A N 0.963 123.814 122.820 0.052 0.000 1.859 370 A HA -0.102 4.219 4.320 0.001 0.000 0.217 370 A C 2.402 180.052 177.584 0.111 0.000 1.198 370 A CA 2.637 54.820 52.037 0.243 0.000 0.629 370 A CB -1.204 17.959 19.000 0.272 0.000 0.830 370 A HN 0.619 nan 8.150 nan 0.000 0.446 371 A N -0.798 122.044 122.820 0.036 0.000 1.908 371 A HA -0.062 4.258 4.320 0.001 0.000 0.218 371 A C 1.917 179.465 177.584 -0.061 0.000 1.181 371 A CA 1.691 53.722 52.037 -0.011 0.000 0.627 371 A CB -0.629 18.366 19.000 -0.009 0.000 0.818 371 A HN 0.945 nan 8.150 nan 0.000 0.445 372 L N -1.055 120.089 121.223 -0.131 0.000 2.784 372 L HA 0.102 4.443 4.340 0.001 0.000 0.247 372 L C 1.102 177.968 176.870 -0.008 0.000 1.162 372 L CA 1.025 55.763 54.840 -0.169 0.000 0.881 372 L CB -0.500 41.413 42.059 -0.244 0.000 1.032 372 L HN 0.396 nan 8.230 nan 0.000 0.446 373 L N -2.915 118.349 121.223 0.068 0.000 2.932 373 L HA 0.126 4.467 4.340 0.001 0.000 0.168 373 L C 1.284 178.214 176.870 0.099 0.000 1.125 373 L CA -0.201 54.733 54.840 0.157 0.000 0.868 373 L CB -0.304 41.849 42.059 0.157 0.000 1.496 373 L HN -0.099 nan 8.230 nan 0.000 0.519 374 L N 1.172 122.418 121.223 0.037 0.000 2.879 374 L HA -0.087 4.254 4.340 0.001 0.000 0.254 374 L C 1.367 178.265 176.870 0.048 0.000 1.157 374 L CA 1.302 56.118 54.840 -0.041 0.000 0.886 374 L CB -0.753 41.266 42.059 -0.067 0.000 1.076 374 L HN 0.269 nan 8.230 nan 0.000 0.446 375 L N -2.055 119.232 121.223 0.108 0.000 2.902 375 L HA 0.289 4.629 4.340 0.001 0.000 0.254 375 L C 1.862 178.847 176.870 0.192 0.000 1.115 375 L CA 0.268 55.217 54.840 0.181 0.000 0.947 375 L CB -0.081 42.035 42.059 0.094 0.000 1.369 375 L HN 0.227 nan 8.230 nan 0.000 0.538 376 G N -1.080 107.806 108.800 0.142 0.000 3.375 376 G HA2 -0.046 3.914 3.960 0.001 0.000 0.247 376 G HA3 -0.046 3.914 3.960 0.001 0.000 0.247 376 G C 0.853 175.934 174.900 0.301 0.000 1.343 376 G CA -0.218 45.029 45.100 0.246 0.000 1.368 376 G HN 0.284 nan 8.290 nan 0.000 0.549 377 H N 0.835 119.943 119.070 0.063 0.000 1.775 377 H HA -0.244 4.312 4.556 0.001 0.000 0.150 377 H C 1.753 177.085 175.328 0.007 0.000 1.123 377 H CA 1.873 57.928 56.048 0.011 0.000 1.756 377 H CB -0.239 29.494 29.762 -0.048 0.000 2.108 377 H HN 0.413 nan 8.280 nan 0.000 0.911 378 G N -0.211 108.664 108.800 0.124 0.000 2.319 378 G HA2 0.233 4.193 3.960 0.001 0.000 0.308 378 G HA3 0.233 4.193 3.960 0.001 0.000 0.308 378 G C -0.945 173.996 174.900 0.069 0.000 1.117 378 G CA -0.410 44.719 45.100 0.048 0.000 0.903 378 G HN 0.494 nan 8.290 nan 0.000 0.436 379 H N 1.463 120.538 119.070 0.009 0.000 3.173 379 H HA -0.135 4.421 4.556 0.001 0.000 0.311 379 H C 0.132 175.474 175.328 0.022 0.000 0.972 379 H CA 0.388 56.477 56.048 0.068 0.000 1.384 379 H CB 0.834 30.698 29.762 0.171 0.000 1.349 379 H HN 0.467 nan 8.280 nan 0.000 0.582 380 F N 2.322 122.342 119.950 0.116 0.000 2.706 380 F HA 0.086 4.613 4.527 0.001 0.000 0.315 380 F C 1.203 177.083 175.800 0.132 0.000 1.286 380 F CA 0.453 58.504 58.000 0.085 0.000 1.424 380 F CB 0.055 39.072 39.000 0.028 0.000 1.262 380 F HN 0.528 nan 8.300 nan 0.000 0.547 381 G N 0.638 109.622 108.800 0.307 0.000 2.378 381 G HA2 0.226 4.186 3.960 0.001 0.000 0.306 381 G HA3 0.226 4.186 3.960 0.001 0.000 0.306 381 G C -0.863 174.187 174.900 0.250 0.000 1.413 381 G CA -1.117 44.156 45.100 0.289 0.000 1.123 381 G HN 0.086 nan 8.290 nan 0.000 0.587 382 K N 1.125 121.604 120.400 0.131 0.000 2.284 382 K HA 0.607 4.927 4.320 0.001 0.000 0.243 382 K C 1.172 177.775 176.600 0.006 0.000 1.075 382 K CA 0.352 56.676 56.287 0.062 0.000 0.868 382 K CB 0.325 32.845 32.500 0.033 0.000 1.157 382 K HN 1.899 nan 8.250 nan 0.000 0.512 383 A N 0.985 123.787 122.820 -0.029 0.000 2.303 383 A HA -0.212 4.109 4.320 0.001 0.000 0.286 383 A C 1.188 178.699 177.584 -0.120 0.000 1.429 383 A CA 1.427 53.420 52.037 -0.073 0.000 0.738 383 A CB -1.551 17.397 19.000 -0.087 0.000 1.149 383 A HN 0.841 nan 8.150 nan 0.000 0.364 384 R N 0.469 120.911 120.500 -0.095 0.000 2.100 384 R HA 0.013 4.354 4.340 0.001 0.000 0.220 384 R C -0.907 175.334 176.300 -0.098 0.000 1.091 384 R CA 1.166 57.193 56.100 -0.122 0.000 0.986 384 R CB -0.751 29.455 30.300 -0.157 0.000 0.888 384 R HN 0.472 nan 8.270 nan 0.000 0.444 385 P HA -0.155 nan 4.420 nan 0.000 0.221 385 P C 0.624 177.898 177.300 -0.043 0.000 1.141 385 P CA 1.956 65.023 63.100 -0.055 0.000 0.794 385 P CB -0.046 31.624 31.700 -0.050 0.000 0.764 386 A N -1.475 121.300 122.820 -0.075 0.000 1.832 386 A HA -0.181 4.140 4.320 0.001 0.000 0.214 386 A C 1.999 179.608 177.584 0.042 0.000 1.204 386 A CA 1.146 53.141 52.037 -0.070 0.000 0.606 386 A CB -1.759 17.129 19.000 -0.186 0.000 0.849 386 A HN 0.041 nan 8.150 nan 0.000 0.445 387 Y N -0.169 120.149 120.300 0.030 0.000 2.181 387 Y HA -0.097 4.453 4.550 0.001 0.000 0.288 387 Y C 2.169 178.102 175.900 0.054 0.000 1.146 387 Y CA 0.635 58.785 58.100 0.084 0.000 1.164 387 Y CB -0.833 37.774 38.460 0.245 0.000 0.982 387 Y HN 0.241 nan 8.280 nan 0.000 0.515 388 L N -0.887 120.424 121.223 0.147 0.000 2.450 388 L HA -0.198 4.143 4.340 0.001 0.000 0.224 388 L C 2.129 179.046 176.870 0.078 0.000 1.149 388 L CA 0.791 55.673 54.840 0.071 0.000 0.816 388 L CB -0.309 41.744 42.059 -0.011 0.000 0.932 388 L HN 0.256 nan 8.230 nan 0.000 0.449 389 A N -1.142 121.731 122.820 0.089 0.000 1.864 389 A HA -0.114 4.206 4.320 0.001 0.000 0.213 389 A C 2.103 179.751 177.584 0.107 0.000 1.266 389 A CA 0.991 53.072 52.037 0.074 0.000 0.612 389 A CB -0.948 18.080 19.000 0.047 0.000 0.940 389 A HN 0.093 nan 8.150 nan 0.000 0.463 390 V N 1.317 121.307 119.914 0.127 0.000 2.453 390 V HA -0.247 3.874 4.120 0.001 0.000 0.252 390 V C 2.893 179.059 176.094 0.121 0.000 1.068 390 V CA 3.011 65.380 62.300 0.114 0.000 1.070 390 V CB -0.865 31.035 31.823 0.129 0.000 0.664 390 V HN 0.877 nan 8.190 nan 0.000 0.461 391 T N -4.206 110.444 114.554 0.160 0.000 2.951 391 T HA -0.146 4.205 4.350 0.001 0.000 0.268 391 T C 1.714 176.644 174.700 0.383 0.000 1.073 391 T CA 1.691 63.910 62.100 0.198 0.000 1.134 391 T CB -0.546 68.457 68.868 0.226 0.000 0.884 391 T HN 0.501 nan 8.240 nan 0.000 0.479 392 T N 2.256 116.987 114.554 0.295 0.000 2.777 392 T HA 0.146 4.497 4.350 0.001 0.000 0.266 392 T C 1.883 176.725 174.700 0.238 0.000 1.040 392 T CA 1.066 63.328 62.100 0.271 0.000 1.141 392 T CB -0.399 68.522 68.868 0.088 0.000 0.868 392 T HN 0.364 nan 8.240 nan 0.000 0.444 393 I N 1.681 122.342 120.570 0.151 0.000 2.068 393 I HA -0.301 3.870 4.170 0.001 0.000 0.238 393 I C 3.024 179.236 176.117 0.158 0.000 1.046 393 I CA 1.535 62.905 61.300 0.117 0.000 1.306 393 I CB -0.723 37.321 38.000 0.074 0.000 1.023 393 I HN 0.222 nan 8.210 nan 0.000 0.399 394 A N 0.685 123.576 122.820 0.118 0.000 1.915 394 A HA -0.282 4.038 4.320 0.001 0.000 0.220 394 A C 2.135 179.771 177.584 0.085 0.000 1.198 394 A CA 2.034 54.097 52.037 0.043 0.000 0.647 394 A CB -1.281 17.683 19.000 -0.060 0.000 0.825 394 A HN 0.394 nan 8.150 nan 0.000 0.456 395 F N -0.716 119.290 119.950 0.093 0.000 2.161 395 F HA -0.135 4.392 4.527 0.001 0.000 0.300 395 F C 2.138 178.015 175.800 0.127 0.000 1.089 395 F CA 1.520 59.583 58.000 0.105 0.000 1.282 395 F CB -0.398 38.650 39.000 0.079 0.000 1.010 395 F HN 0.133 nan 8.300 nan 0.000 0.485 396 L N -1.662 119.745 121.223 0.306 0.000 2.027 396 L HA -0.255 4.086 4.340 0.001 0.000 0.206 396 L C 2.291 179.300 176.870 0.233 0.000 1.074 396 L CA 1.330 56.298 54.840 0.213 0.000 0.745 396 L CB -0.745 41.376 42.059 0.104 0.000 0.898 396 L HN 0.103 nan 8.230 nan 0.000 0.433 397 Y N -0.097 120.252 120.300 0.082 0.000 2.030 397 Y HA -0.406 4.144 4.550 0.001 0.000 0.274 397 Y C 2.723 178.676 175.900 0.088 0.000 1.153 397 Y CA 1.846 59.981 58.100 0.060 0.000 1.115 397 Y CB -0.809 37.633 38.460 -0.031 0.000 0.969 397 Y HN 0.205 nan 8.280 nan 0.000 0.488 398 C N 0.246 119.770 119.300 0.373 0.000 2.401 398 C HA -0.243 4.217 4.460 0.001 0.000 0.276 398 C C 2.852 177.958 174.990 0.193 0.000 1.233 398 C CA 1.436 60.606 59.018 0.254 0.000 1.753 398 C CB -1.514 26.322 27.740 0.159 0.000 2.029 398 C HN 0.609 nan 8.230 nan 0.000 0.478 399 I N -1.228 119.470 120.570 0.213 0.000 2.277 399 I HA -0.185 3.986 4.170 0.001 0.000 0.243 399 I C 2.635 178.856 176.117 0.174 0.000 1.094 399 I CA 1.403 62.818 61.300 0.190 0.000 1.393 399 I CB -0.521 37.612 38.000 0.221 0.000 1.078 399 I HN 0.602 nan 8.210 nan 0.000 0.417 400 W N 2.152 123.443 121.300 -0.015 0.000 2.363 400 W HA -0.242 4.418 4.660 0.001 0.000 0.296 400 W C 2.552 179.010 176.519 -0.101 0.000 1.212 400 W CA 1.577 58.881 57.345 -0.068 0.000 1.260 400 W CB 0.050 29.445 29.460 -0.108 0.000 1.131 400 W HN 0.151 nan 8.180 nan 0.000 0.530 401 A N 0.481 123.282 122.820 -0.031 0.000 1.884 401 A HA -0.264 4.056 4.320 0.001 0.000 0.219 401 A C 2.051 179.560 177.584 -0.125 0.000 1.197 401 A CA 2.702 54.670 52.037 -0.114 0.000 0.637 401 A CB -1.276 17.704 19.000 -0.034 0.000 0.827 401 A HN 0.138 nan 8.150 nan 0.000 0.450 402 V N -0.959 118.920 119.914 -0.057 0.000 2.295 402 V HA -0.216 3.905 4.120 0.001 0.000 0.246 402 V C 2.504 178.505 176.094 -0.155 0.000 1.049 402 V CA 1.887 64.152 62.300 -0.059 0.000 1.024 402 V CB -0.704 31.120 31.823 0.003 0.000 0.648 402 V HN 0.398 nan 8.190 nan 0.000 0.447 403 V N 0.521 120.298 119.914 -0.229 0.000 2.332 403 V HA -0.094 4.027 4.120 0.001 0.000 0.248 403 V C 1.565 177.398 176.094 -0.435 0.000 1.055 403 V CA 1.806 63.911 62.300 -0.325 0.000 1.038 403 V CB -0.694 30.893 31.823 -0.394 0.000 0.651 403 V HN 0.587 nan 8.190 nan 0.000 0.450 404 G N -0.104 108.337 108.800 -0.598 0.000 2.621 404 G HA2 0.469 4.429 3.960 0.001 0.000 0.306 404 G HA3 0.469 4.429 3.960 0.001 0.000 0.306 404 G C -0.342 174.374 174.900 -0.306 0.000 0.893 404 G CA 0.793 45.609 45.100 -0.473 0.000 1.486 404 G HN 0.488 nan 8.290 nan 0.000 0.477 405 S N 0.867 116.426 115.700 -0.235 0.000 2.578 405 S HA 0.587 5.057 4.470 0.001 0.000 0.272 405 S C 0.310 174.828 174.600 -0.136 0.000 1.145 405 S CA -0.038 58.059 58.200 -0.172 0.000 0.835 405 S CB 0.636 63.758 63.200 -0.129 0.000 1.104 405 S HN 1.256 nan 8.310 nan 0.000 0.458 406 G N 1.858 110.601 108.800 -0.094 0.000 2.097 406 G HA2 0.357 4.318 3.960 0.001 0.000 0.256 406 G HA3 0.357 4.318 3.960 0.001 0.000 0.256 406 G C 1.254 176.109 174.900 -0.076 0.000 1.082 406 G CA 0.343 45.397 45.100 -0.076 0.000 0.956 406 G HN 1.265 nan 8.290 nan 0.000 0.420 407 A N 3.597 126.358 122.820 -0.098 0.000 1.883 407 A HA -0.134 4.186 4.320 0.001 0.000 0.217 407 A C 2.430 179.945 177.584 -0.115 0.000 1.186 407 A CA 2.182 54.153 52.037 -0.110 0.000 0.624 407 A CB -0.276 18.657 19.000 -0.112 0.000 0.822 407 A HN 0.642 nan 8.150 nan 0.000 0.444 408 K N 0.542 120.891 120.400 -0.085 0.000 2.025 408 K HA -0.091 4.229 4.320 0.001 0.000 0.207 408 K C 1.617 178.200 176.600 -0.029 0.000 1.049 408 K CA 1.691 57.919 56.287 -0.099 0.000 0.933 408 K CB -0.482 32.041 32.500 0.039 0.000 0.714 408 K HN 0.628 nan 8.250 nan 0.000 0.438 409 E N 0.441 120.687 120.200 0.078 0.000 2.265 409 E HA -0.110 4.240 4.350 0.001 0.000 0.196 409 E C 1.790 178.439 176.600 0.083 0.000 0.996 409 E CA 0.785 57.276 56.400 0.151 0.000 0.832 409 E CB -0.014 29.754 29.700 0.113 0.000 0.756 409 E HN 0.033 nan 8.360 nan 0.000 0.491 410 V N 1.118 121.035 119.914 0.004 0.000 2.599 410 V HA -0.169 3.951 4.120 0.001 0.000 0.245 410 V C 2.182 178.280 176.094 0.006 0.000 1.046 410 V CA 1.400 63.700 62.300 -0.000 0.000 1.065 410 V CB -0.218 31.581 31.823 -0.040 0.000 0.703 410 V HN 0.411 nan 8.190 nan 0.000 0.464 411 M N -1.334 118.196 119.600 -0.117 0.000 2.195 411 M HA -0.236 4.245 4.480 0.001 0.000 0.260 411 M C 1.962 178.198 176.300 -0.107 0.000 1.066 411 M CA 2.298 57.479 55.300 -0.198 0.000 1.089 411 M CB -0.754 31.588 32.600 -0.431 0.000 1.377 411 M HN 0.315 nan 8.290 nan 0.000 0.411 412 W N 0.866 122.209 121.300 0.072 0.000 2.379 412 W HA -0.054 4.607 4.660 0.001 0.000 0.307 412 W C 2.690 179.269 176.519 0.100 0.000 1.200 412 W CA 0.830 58.216 57.345 0.070 0.000 1.297 412 W CB -0.464 28.998 29.460 0.005 0.000 1.140 412 W HN 0.268 nan 8.180 nan 0.000 0.507 413 S N 0.521 116.384 115.700 0.272 0.000 2.380 413 S HA -0.280 4.191 4.470 0.001 0.000 0.229 413 S C 1.481 176.298 174.600 0.363 0.000 1.043 413 S CA 1.678 60.022 58.200 0.240 0.000 1.038 413 S CB -0.891 62.380 63.200 0.118 0.000 0.872 413 S HN 0.211 nan 8.310 nan 0.000 0.456 414 F N 2.430 122.469 119.950 0.147 0.000 2.046 414 F HA -0.177 4.350 4.527 0.001 0.000 0.297 414 F C 2.288 178.193 175.800 0.174 0.000 1.123 414 F CA 1.305 59.382 58.000 0.128 0.000 1.199 414 F CB -0.773 38.256 39.000 0.048 0.000 0.972 414 F HN -0.015 nan 8.300 nan 0.000 0.474 415 V N -0.346 119.739 119.914 0.285 0.000 2.469 415 V HA -0.329 3.792 4.120 0.001 0.000 0.251 415 V C 2.184 178.403 176.094 0.208 0.000 1.064 415 V CA 2.105 64.541 62.300 0.226 0.000 1.066 415 V CB -1.550 30.500 31.823 0.379 0.000 0.667 415 V HN 0.436 nan 8.190 nan 0.000 0.461 416 T N 1.180 115.910 114.554 0.294 0.000 2.544 416 T HA -0.253 4.098 4.350 0.001 0.000 0.264 416 T C 1.903 176.684 174.700 0.134 0.000 1.096 416 T CA 2.104 64.363 62.100 0.266 0.000 1.181 416 T CB -0.518 68.631 68.868 0.470 0.000 0.864 416 T HN 0.330 nan 8.240 nan 0.000 0.415 417 L N 0.364 121.644 121.223 0.095 0.000 2.021 417 L HA -0.223 4.117 4.340 0.001 0.000 0.215 417 L C 2.839 179.709 176.870 0.001 0.000 1.074 417 L CA 1.719 56.570 54.840 0.020 0.000 0.760 417 L CB -0.727 41.315 42.059 -0.030 0.000 0.889 417 L HN 0.363 nan 8.230 nan 0.000 0.433 418 M N -1.362 118.190 119.600 -0.080 0.000 2.117 418 M HA -0.197 4.284 4.480 0.001 0.000 0.262 418 M C 2.385 178.720 176.300 0.059 0.000 1.065 418 M CA 1.442 56.713 55.300 -0.047 0.000 1.114 418 M CB -0.575 31.962 32.600 -0.104 0.000 1.361 418 M HN 0.132 nan 8.290 nan 0.000 0.408 419 V N 1.141 121.105 119.914 0.083 0.000 2.379 419 V HA -0.183 3.937 4.120 0.001 0.000 0.245 419 V C 2.182 178.360 176.094 0.140 0.000 1.044 419 V CA 1.449 63.818 62.300 0.115 0.000 1.036 419 V CB -0.240 31.656 31.823 0.121 0.000 0.664 419 V HN 0.392 nan 8.190 nan 0.000 0.453 420 I N -0.167 120.479 120.570 0.127 0.000 2.248 420 I HA -0.282 3.888 4.170 0.001 0.000 0.248 420 I C 2.400 178.669 176.117 0.254 0.000 1.107 420 I CA 2.122 63.515 61.300 0.155 0.000 1.373 420 I CB -0.784 37.254 38.000 0.063 0.000 1.055 420 I HN 0.347 nan 8.210 nan 0.000 0.418 421 T N 0.612 115.298 114.554 0.221 0.000 2.698 421 T HA -0.041 4.309 4.350 0.001 0.000 0.260 421 T C 2.127 177.027 174.700 0.332 0.000 1.044 421 T CA 1.291 63.594 62.100 0.339 0.000 1.149 421 T CB -0.328 68.737 68.868 0.328 0.000 0.864 421 T HN 0.464 nan 8.240 nan 0.000 0.419 422 A N 1.257 124.209 122.820 0.220 0.000 1.985 422 A HA -0.213 4.107 4.320 0.001 0.000 0.223 422 A C 2.110 179.818 177.584 0.206 0.000 1.189 422 A CA 2.046 54.196 52.037 0.188 0.000 0.658 422 A CB -0.844 18.239 19.000 0.138 0.000 0.820 422 A HN 0.531 nan 8.150 nan 0.000 0.464 423 M N -0.945 118.807 119.600 0.253 0.000 2.691 423 M HA 0.079 4.559 4.480 0.001 0.000 0.227 423 M C -0.230 176.157 176.300 0.146 0.000 1.120 423 M CA 0.484 55.882 55.300 0.163 0.000 1.034 423 M CB -0.163 32.519 32.600 0.136 0.000 1.675 423 M HN 0.511 nan 8.290 nan 0.000 0.514 424 Y N -1.247 119.068 120.300 0.024 0.000 2.746 424 Y HA 0.347 4.898 4.550 0.001 0.000 0.312 424 Y C 1.595 177.344 175.900 -0.252 0.000 1.117 424 Y CA -0.522 57.561 58.100 -0.028 0.000 1.324 424 Y CB -0.212 38.350 38.460 0.169 0.000 1.173 424 Y HN 0.323 nan 8.280 nan 0.000 0.529 425 A N 0.371 123.000 122.820 -0.320 0.000 1.874 425 A HA -0.135 4.186 4.320 0.001 0.000 0.214 425 A C 1.958 178.857 177.584 -1.141 0.000 1.189 425 A CA 1.016 52.404 52.037 -1.082 0.000 0.615 425 A CB -0.526 18.351 19.000 -0.205 0.000 0.830 425 A HN 0.552 nan 8.150 nan 0.000 0.443 426 L N -0.311 120.597 121.223 -0.525 0.000 2.265 426 L HA -0.033 4.307 4.340 0.001 0.000 0.215 426 L C 0.987 177.621 176.870 -0.394 0.000 1.117 426 L CA 1.882 56.494 54.840 -0.381 0.000 0.782 426 L CB -0.388 41.507 42.059 -0.272 0.000 0.914 426 L HN 0.346 nan 8.230 nan 0.000 0.441 427 N N -1.371 117.050 118.700 -0.466 0.000 2.234 427 N HA 0.017 4.758 4.740 0.001 0.000 0.227 427 N C -0.293 175.192 175.510 -0.042 0.000 1.151 427 N CA -0.139 52.738 53.050 -0.288 0.000 0.865 427 N CB 0.208 38.438 38.487 -0.428 0.000 1.066 427 N HN 0.274 nan 8.380 nan 0.000 0.515 428 Y N 1.613 121.933 120.300 0.034 0.000 3.634 428 Y HA -0.061 4.490 4.550 0.001 0.000 0.361 428 Y C 0.345 176.278 175.900 0.056 0.000 0.905 428 Y CA 0.385 58.522 58.100 0.062 0.000 1.993 428 Y CB -1.428 37.059 38.460 0.046 0.000 2.348 428 Y HN -0.005 nan 8.280 nan 0.000 0.405 429 N N 0.495 119.321 118.700 0.209 0.000 2.839 429 N HA 0.120 4.860 4.740 0.001 0.000 0.230 429 N C 0.129 175.727 175.510 0.148 0.000 1.388 429 N CA -0.252 52.888 53.050 0.150 0.000 0.747 429 N CB 1.186 39.734 38.487 0.102 0.000 1.411 429 N HN 0.446 nan 8.380 nan 0.000 0.556 430 R N 0.313 120.918 120.500 0.176 0.000 2.400 430 R HA 0.832 5.172 4.340 0.001 0.000 0.112 430 R C 0.724 177.118 176.300 0.157 0.000 1.488 430 R CA 0.143 56.354 56.100 0.186 0.000 1.275 430 R CB -0.036 30.410 30.300 0.243 0.000 1.084 430 R HN 0.053 nan 8.270 nan 0.000 0.426 431 L N -2.056 119.270 121.223 0.172 0.000 1.802 431 L HA 0.318 4.658 4.340 0.001 0.000 0.127 431 L C 0.720 177.660 176.870 0.116 0.000 1.708 431 L CA 0.692 55.609 54.840 0.128 0.000 1.017 431 L CB -1.732 40.394 42.059 0.111 0.000 1.742 431 L HN 1.294 nan 8.230 nan 0.000 0.413 432 H N 0.098 119.233 119.070 0.108 0.000 1.771 432 H HA 0.464 5.021 4.556 0.001 0.000 0.296 432 H C 1.706 177.045 175.328 0.019 0.000 0.739 432 H CA 2.297 58.378 56.048 0.055 0.000 0.999 432 H CB -2.137 27.642 29.762 0.029 0.000 1.440 432 H HN 2.852 nan 8.280 nan 0.000 0.235 433 K N -1.885 118.524 120.400 0.015 0.000 3.261 433 K HA 0.107 4.427 4.320 0.001 0.000 0.272 433 K C 0.644 177.249 176.600 0.008 0.000 1.212 433 K CA 1.912 58.201 56.287 0.003 0.000 0.808 433 K CB -2.767 29.724 32.500 -0.015 0.000 1.344 433 K HN 2.722 nan 8.250 nan 0.000 0.517 434 N N 0.823 119.533 118.700 0.017 0.000 2.458 434 N HA 0.800 5.541 4.740 0.001 0.000 0.271 434 N C -0.476 175.041 175.510 0.011 0.000 1.210 434 N CA -0.450 52.611 53.050 0.017 0.000 0.978 434 N CB -0.287 38.217 38.487 0.028 0.000 1.206 434 N HN 0.579 nan 8.380 nan 0.000 0.536 435 P HA 0.000 nan 4.420 nan 0.000 0.216 435 P CA 0.000 63.103 63.100 0.005 0.000 0.800 435 P CB 0.000 31.701 31.700 0.002 0.000 0.726