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 1t3i_1_B DATA FIRST_RESID 7 DATA SEQUENCE PSLAATVRQD FPILNQEING HPLVYLDNAA TSQKPRAVLE KLMHYYENDN DATA SEQUENCE ANVXXXAHQL SVRATDAYEA VRNKVAKFIN ARSPREIVYT RNATEAINLV DATA SEQUENCE AYSWGMNNLK AGDEIITTVM EHHSNLVPWQ MVAAKTGAVL KFVQLDEQES DATA SEQUENCE FDLEHFKTLL SEKTKLVTVV HISNTLGCVN PAEEIAQLAH QAGAKVLVDA DATA SEQUENCE CQSAPHYPLD VQLIDCDWLV ASGHKMCAPT GIGFLYGKEE ILEAMPPFFG DATA SEQUENCE GGEMIAEVFF DHFTTGELPH KFEAGTPAIA EAIALGAAVD YLTDLGMENI DATA SEQUENCE HNYEVELTHY LWQGLGQIPQ LRLYGPNPKH GDRAALASFN VAGLHASDVA DATA SEQUENCE TMVDQDGIAI RSGHHCTQPL HRLFDASGSA RASLYFYNTK EEIDLFLQSL DATA SEQUENCE QATIRFFS 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 7 P HA 0.000 nan 4.420 nan 0.000 0.216 7 P C 0.000 177.273 177.300 -0.044 0.000 1.155 7 P CA 0.000 63.089 63.100 -0.018 0.000 0.800 7 P CB 0.000 31.690 31.700 -0.017 0.000 0.726 8 S N 1.044 116.713 115.700 -0.052 0.000 2.596 8 S HA 0.161 4.630 4.470 -0.001 0.000 0.260 8 S C 1.240 175.681 174.600 -0.265 0.000 1.336 8 S CA -0.407 57.712 58.200 -0.135 0.000 0.993 8 S CB 0.969 64.129 63.200 -0.065 0.000 0.923 8 S HN 0.499 nan 8.310 nan 0.000 0.567 9 L N 1.618 122.504 121.223 -0.561 0.000 2.046 9 L HA 0.051 4.390 4.340 -0.001 0.000 0.208 9 L C 2.588 179.267 176.870 -0.318 0.000 1.077 9 L CA 2.394 56.942 54.840 -0.487 0.000 0.747 9 L CB -1.676 39.988 42.059 -0.658 0.000 0.896 9 L HN 0.933 nan 8.230 nan 0.000 0.432 10 A N -0.353 122.218 122.820 -0.416 0.000 1.902 10 A HA -0.123 4.196 4.320 -0.001 0.000 0.217 10 A C 2.472 180.093 177.584 0.061 0.000 1.181 10 A CA 1.884 53.922 52.037 0.000 0.000 0.623 10 A CB -1.249 17.849 19.000 0.163 0.000 0.818 10 A HN 0.589 nan 8.150 nan 0.000 0.443 11 A N -0.335 122.488 122.820 0.005 0.000 1.978 11 A HA -0.123 4.196 4.320 -0.001 0.000 0.220 11 A C 2.359 179.968 177.584 0.042 0.000 1.170 11 A CA 2.487 54.545 52.037 0.034 0.000 0.636 11 A CB -1.291 17.716 19.000 0.012 0.000 0.810 11 A HN 0.843 nan 8.150 nan 0.000 0.448 12 T N -2.875 111.688 114.554 0.015 0.000 3.067 12 T HA 0.077 4.426 4.350 -0.001 0.000 0.261 12 T C 1.292 176.046 174.700 0.090 0.000 1.110 12 T CA 1.372 63.488 62.100 0.026 0.000 1.113 12 T CB -0.160 68.694 68.868 -0.023 0.000 0.917 12 T HN 0.855 nan 8.240 nan 0.000 0.499 13 V N -2.414 117.606 119.914 0.176 0.000 3.612 13 V HA 0.448 4.567 4.120 -0.001 0.000 0.268 13 V C 2.300 178.667 176.094 0.455 0.000 1.365 13 V CA -0.374 62.132 62.300 0.343 0.000 1.044 13 V CB -0.458 31.686 31.823 0.535 0.000 0.820 13 V HN 0.184 nan 8.190 nan 0.000 0.444 14 R N 1.919 122.619 120.500 0.334 0.000 2.139 14 R HA -0.225 4.114 4.340 -0.001 0.000 0.243 14 R C 2.398 178.862 176.300 0.273 0.000 1.145 14 R CA 2.372 58.654 56.100 0.304 0.000 0.976 14 R CB -0.397 30.008 30.300 0.176 0.000 0.866 14 R HN 0.904 nan 8.270 nan 0.000 0.449 15 Q N 0.176 120.092 119.800 0.194 0.000 2.364 15 Q HA -0.136 4.203 4.340 -0.001 0.000 0.207 15 Q C 0.547 176.603 176.000 0.094 0.000 0.970 15 Q CA 1.368 57.243 55.803 0.121 0.000 0.888 15 Q CB 0.068 28.856 28.738 0.083 0.000 0.951 15 Q HN 0.242 nan 8.270 nan 0.000 0.469 16 D N 0.280 120.754 120.400 0.124 0.000 2.317 16 D HA -0.000 4.639 4.640 -0.001 0.000 0.211 16 D C -0.533 175.550 176.300 -0.362 0.000 0.966 16 D CA 0.568 54.504 54.000 -0.107 0.000 0.876 16 D CB 0.073 40.787 40.800 -0.144 0.000 0.927 16 D HN 0.226 nan 8.370 nan 0.000 0.519 17 F N 1.523 121.440 119.950 -0.054 0.000 2.293 17 F HA 0.249 4.775 4.527 -0.002 0.000 0.370 17 F C -1.288 174.435 175.800 -0.127 0.000 1.090 17 F CA -2.321 55.592 58.000 -0.145 0.000 1.133 17 F CB 1.498 40.321 39.000 -0.295 0.000 1.360 17 F HN -0.205 nan 8.300 nan 0.000 0.489 18 P HA -0.217 nan 4.420 nan 0.000 0.218 18 P C 1.849 179.140 177.300 -0.014 0.000 1.148 18 P CA 1.400 64.496 63.100 -0.007 0.000 0.822 18 P CB 0.652 32.336 31.700 -0.027 0.000 0.784 19 I N -0.654 119.896 120.570 -0.033 0.000 2.614 19 I HA -0.151 4.019 4.170 -0.001 0.000 0.258 19 I C 2.168 178.236 176.117 -0.081 0.000 1.189 19 I CA 0.706 61.964 61.300 -0.070 0.000 1.462 19 I CB -0.162 37.765 38.000 -0.121 0.000 1.092 19 I HN -0.175 nan 8.210 nan 0.000 0.442 20 L N 0.154 121.328 121.223 -0.082 0.000 2.291 20 L HA -0.102 4.237 4.340 -0.001 0.000 0.214 20 L C 0.882 177.746 176.870 -0.010 0.000 1.120 20 L CA 0.454 55.251 54.840 -0.073 0.000 0.799 20 L CB -0.736 41.262 42.059 -0.101 0.000 0.925 20 L HN 0.250 nan 8.230 nan 0.000 0.446 21 N N 1.485 120.185 118.700 0.000 0.000 3.034 21 N HA 0.116 4.855 4.740 -0.001 0.000 0.265 21 N C -0.623 174.894 175.510 0.012 0.000 1.166 21 N CA -0.177 52.882 53.050 0.015 0.000 1.081 21 N CB 0.049 38.547 38.487 0.019 0.000 1.378 21 N HN 0.367 nan 8.380 nan 0.000 0.520 22 Q N -1.711 118.100 119.800 0.018 0.000 2.633 22 Q HA 0.578 4.917 4.340 -0.001 0.000 0.289 22 Q C -1.474 174.547 176.000 0.034 0.000 0.940 22 Q CA -1.135 54.680 55.803 0.020 0.000 0.785 22 Q CB 0.350 29.095 28.738 0.012 0.000 1.467 22 Q HN 0.109 nan 8.270 nan 0.000 0.401 23 E N 1.451 121.672 120.200 0.035 0.000 2.191 23 E HA 0.645 4.994 4.350 -0.001 0.000 0.274 23 E C -1.025 175.609 176.600 0.058 0.000 0.948 23 E CA -0.798 55.631 56.400 0.049 0.000 0.802 23 E CB 1.424 31.143 29.700 0.033 0.000 1.137 23 E HN 0.448 nan 8.360 nan 0.000 0.397 24 I N 2.238 122.860 120.570 0.086 0.000 2.447 24 I HA 0.291 4.460 4.170 -0.001 0.000 0.287 24 I C 0.257 176.450 176.117 0.126 0.000 1.023 24 I CA -0.727 60.626 61.300 0.088 0.000 1.083 24 I CB 0.529 38.580 38.000 0.084 0.000 1.245 24 I HN 0.978 nan 8.210 nan 0.000 0.434 25 N N 4.465 123.226 118.700 0.102 0.000 2.721 25 N HA -0.238 4.501 4.740 -0.001 0.000 0.249 25 N C 1.033 176.657 175.510 0.190 0.000 1.072 25 N CA 0.698 53.825 53.050 0.128 0.000 0.710 25 N CB -0.586 37.975 38.487 0.124 0.000 0.993 25 N HN 1.153 nan 8.380 nan 0.000 0.547 26 G N -1.583 107.267 108.800 0.083 0.000 2.176 26 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.253 26 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.253 26 G C -0.223 174.529 174.900 -0.248 0.000 0.979 26 G CA 0.728 45.784 45.100 -0.073 0.000 0.641 26 G HN 0.676 nan 8.290 nan 0.000 0.530 27 H N -0.134 118.952 119.070 0.026 0.000 2.797 27 H HA 0.587 5.142 4.556 -0.002 0.000 0.372 27 H C -2.646 172.704 175.328 0.037 0.000 1.168 27 H CA -2.015 54.052 56.048 0.032 0.000 1.163 27 H CB 1.556 31.340 29.762 0.037 0.000 1.778 27 H HN 0.041 nan 8.280 nan 0.000 0.551 28 P HA -0.036 nan 4.420 nan 0.000 0.268 28 P C -0.487 176.883 177.300 0.117 0.000 1.204 28 P CA -0.412 62.753 63.100 0.108 0.000 0.768 28 P CB 0.519 32.274 31.700 0.093 0.000 0.842 29 L N 5.211 126.491 121.223 0.094 0.000 2.525 29 L HA 0.095 4.434 4.340 -0.001 0.000 0.278 29 L C -0.683 176.252 176.870 0.108 0.000 1.218 29 L CA 0.624 55.523 54.840 0.099 0.000 0.878 29 L CB 0.169 42.277 42.059 0.082 0.000 1.127 29 L HN 0.089 nan 8.230 nan 0.000 0.492 30 V N 6.677 126.660 119.914 0.115 0.000 2.340 30 V HA 0.151 4.270 4.120 -0.001 0.000 0.277 30 V C -0.898 175.266 176.094 0.117 0.000 1.017 30 V CA -0.511 61.856 62.300 0.111 0.000 0.820 30 V CB 0.485 32.361 31.823 0.088 0.000 1.028 30 V HN 0.664 nan 8.190 nan 0.000 0.436 31 Y N 5.814 126.130 120.300 0.026 0.000 2.556 31 Y HA 0.461 5.010 4.550 -0.002 0.000 0.352 31 Y C 0.466 176.382 175.900 0.026 0.000 1.006 31 Y CA -0.377 57.738 58.100 0.026 0.000 1.277 31 Y CB 0.679 39.160 38.460 0.035 0.000 1.136 31 Y HN 0.552 nan 8.280 nan 0.000 0.523 32 L N 5.930 126.907 121.223 -0.409 0.000 3.141 32 L HA 0.262 4.601 4.340 -0.001 0.000 0.263 32 L C -0.141 176.426 176.870 -0.505 0.000 1.312 32 L CA 0.058 54.666 54.840 -0.388 0.000 1.012 32 L CB 0.270 42.093 42.059 -0.394 0.000 1.408 32 L HN 0.489 nan 8.230 nan 0.000 0.559 33 D N -0.526 119.368 120.400 -0.842 0.000 2.895 33 D HA 0.102 4.741 4.640 -0.001 0.000 0.350 33 D C 1.005 177.086 176.300 -0.364 0.000 1.389 33 D CA 0.037 53.687 54.000 -0.583 0.000 0.812 33 D CB 0.402 40.879 40.800 -0.539 0.000 1.164 33 D HN 0.015 nan 8.370 nan 0.000 0.455 34 N N 0.078 118.662 118.700 -0.193 0.000 2.381 34 N HA -0.086 4.653 4.740 -0.001 0.000 0.182 34 N C 1.545 177.057 175.510 0.004 0.000 1.025 34 N CA 0.754 53.844 53.050 0.067 0.000 0.888 34 N CB 0.301 38.815 38.487 0.046 0.000 0.965 34 N HN 0.298 nan 8.380 nan 0.000 0.438 35 A N 0.733 123.521 122.820 -0.054 0.000 2.119 35 A HA 0.191 4.510 4.320 -0.001 0.000 0.217 35 A C 2.278 179.879 177.584 0.029 0.000 1.153 35 A CA 1.252 53.271 52.037 -0.031 0.000 0.692 35 A CB -0.176 18.776 19.000 -0.080 0.000 0.799 35 A HN 0.298 nan 8.150 nan 0.000 0.458 36 A N -1.966 120.885 122.820 0.051 0.000 1.878 36 A HA 0.372 4.691 4.320 -0.001 0.000 0.213 36 A C 1.143 178.872 177.584 0.241 0.000 1.192 36 A CA 1.705 53.819 52.037 0.128 0.000 0.619 36 A CB -0.123 18.934 19.000 0.094 0.000 0.837 36 A HN 0.523 nan 8.150 nan 0.000 0.446 37 T N -1.552 113.157 114.554 0.260 0.000 2.893 37 T HA 0.466 4.815 4.350 -0.001 0.000 0.337 37 T C -0.877 174.020 174.700 0.329 0.000 1.587 37 T CA 0.025 62.336 62.100 0.351 0.000 1.066 37 T CB 1.079 70.161 68.868 0.357 0.000 1.414 37 T HN 0.734 nan 8.240 nan 0.000 0.488 38 S N 3.083 118.945 115.700 0.268 0.000 2.690 38 S HA 0.785 5.254 4.470 -0.001 0.000 0.291 38 S C -0.432 174.310 174.600 0.237 0.000 1.138 38 S CA -0.827 57.559 58.200 0.310 0.000 1.013 38 S CB 1.350 64.733 63.200 0.305 0.000 1.053 38 S HN 0.655 nan 8.310 nan 0.000 0.539 39 Q N 0.873 120.812 119.800 0.232 0.000 2.212 39 Q HA 0.500 4.839 4.340 -0.001 0.000 0.238 39 Q C -0.569 175.611 176.000 0.300 0.000 0.955 39 Q CA -0.581 55.252 55.803 0.050 0.000 0.906 39 Q CB 0.879 29.427 28.738 -0.317 0.000 1.215 39 Q HN 0.615 nan 8.270 nan 0.000 0.478 40 K N 1.749 122.281 120.400 0.219 0.000 2.207 40 K HA 0.552 4.871 4.320 -0.001 0.000 0.255 40 K C -2.433 174.031 176.600 -0.227 0.000 0.941 40 K CA -2.047 54.303 56.287 0.105 0.000 0.825 40 K CB 1.306 33.811 32.500 0.008 0.000 1.119 40 K HN 0.357 nan 8.250 nan 0.000 0.430 41 P HA 0.312 nan 4.420 nan 0.000 0.281 41 P C 0.183 177.150 177.300 -0.556 0.000 1.249 41 P CA -0.483 61.903 63.100 -1.191 0.000 0.810 41 P CB 1.117 31.819 31.700 -1.664 0.000 1.008 42 R N 1.670 121.921 120.500 -0.414 0.000 2.117 42 R HA -0.186 4.153 4.340 -0.001 0.000 0.243 42 R C 2.219 178.428 176.300 -0.153 0.000 1.143 42 R CA 2.092 58.069 56.100 -0.206 0.000 0.968 42 R CB -1.137 29.082 30.300 -0.135 0.000 0.863 42 R HN 0.551 nan 8.270 nan 0.000 0.444 43 A N 0.625 123.344 122.820 -0.169 0.000 1.948 43 A HA -0.154 4.166 4.320 -0.001 0.000 0.220 43 A C 2.347 179.883 177.584 -0.079 0.000 1.177 43 A CA 1.658 53.647 52.037 -0.080 0.000 0.636 43 A CB -0.458 18.546 19.000 0.006 0.000 0.815 43 A HN 0.145 nan 8.150 nan 0.000 0.449 44 V N -0.125 119.707 119.914 -0.136 0.000 2.346 44 V HA -0.180 3.939 4.120 -0.001 0.000 0.244 44 V C 2.525 178.593 176.094 -0.044 0.000 1.037 44 V CA 1.721 63.971 62.300 -0.083 0.000 1.029 44 V CB -0.671 31.092 31.823 -0.101 0.000 0.663 44 V HN 0.570 nan 8.190 nan 0.000 0.454 45 L N -0.224 120.964 121.223 -0.058 0.000 2.083 45 L HA -0.174 4.165 4.340 -0.001 0.000 0.209 45 L C 2.525 179.407 176.870 0.020 0.000 1.083 45 L CA 1.621 56.453 54.840 -0.013 0.000 0.752 45 L CB -0.684 41.357 42.059 -0.031 0.000 0.899 45 L HN 0.414 nan 8.230 nan 0.000 0.433 46 E N 0.101 120.304 120.200 0.005 0.000 2.150 46 E HA -0.231 4.118 4.350 -0.001 0.000 0.193 46 E C 2.035 178.681 176.600 0.078 0.000 0.985 46 E CA 0.750 57.174 56.400 0.039 0.000 0.814 46 E CB 0.052 29.760 29.700 0.014 0.000 0.752 46 E HN 0.192 nan 8.360 nan 0.000 0.466 47 K N 1.166 121.593 120.400 0.045 0.000 2.057 47 K HA -0.149 4.170 4.320 -0.001 0.000 0.207 47 K C 1.926 178.590 176.600 0.106 0.000 1.049 47 K CA 0.709 57.032 56.287 0.061 0.000 0.931 47 K CB -0.342 32.165 32.500 0.011 0.000 0.714 47 K HN 0.012 nan 8.250 nan 0.000 0.440 48 L N 0.002 121.273 121.223 0.080 0.000 2.017 48 L HA -0.071 4.268 4.340 -0.001 0.000 0.208 48 L C 2.252 179.240 176.870 0.196 0.000 1.073 48 L CA 1.780 56.680 54.840 0.101 0.000 0.745 48 L CB -0.549 41.580 42.059 0.117 0.000 0.894 48 L HN 0.272 nan 8.230 nan 0.000 0.432 49 M N -1.395 118.317 119.600 0.188 0.000 2.117 49 M HA -0.220 4.259 4.480 -0.001 0.000 0.262 49 M C 2.315 178.718 176.300 0.170 0.000 1.065 49 M CA 1.862 57.279 55.300 0.194 0.000 1.114 49 M CB -0.560 32.116 32.600 0.127 0.000 1.361 49 M HN 0.468 nan 8.290 nan 0.000 0.408 50 H N -1.557 117.563 119.070 0.084 0.000 2.353 50 H HA -0.229 4.327 4.556 -0.001 0.000 0.300 50 H C 1.903 177.258 175.328 0.045 0.000 1.090 50 H CA 2.548 58.629 56.048 0.056 0.000 1.327 50 H CB -0.408 29.381 29.762 0.046 0.000 1.383 50 H HN 0.532 nan 8.280 nan 0.000 0.508 51 Y N -0.233 120.075 120.300 0.014 0.000 2.097 51 Y HA -0.333 4.216 4.550 -0.002 0.000 0.282 51 Y C 1.734 177.538 175.900 -0.159 0.000 1.152 51 Y CA 1.985 60.017 58.100 -0.114 0.000 1.136 51 Y CB -0.647 37.679 38.460 -0.224 0.000 0.975 51 Y HN 0.248 nan 8.280 nan 0.000 0.498 52 Y N 0.663 120.970 120.300 0.012 0.000 2.352 52 Y HA -0.142 4.408 4.550 -0.001 0.000 0.292 52 Y C 2.256 178.062 175.900 -0.156 0.000 1.136 52 Y CA 1.707 59.761 58.100 -0.077 0.000 1.227 52 Y CB -0.418 38.076 38.460 0.057 0.000 0.991 52 Y HN 0.304 nan 8.280 nan 0.000 0.545 53 E N -0.993 119.197 120.200 -0.017 0.000 2.442 53 E HA -0.034 4.316 4.350 -0.001 0.000 0.195 53 E C 1.113 177.600 176.600 -0.188 0.000 1.030 53 E CA 0.356 56.706 56.400 -0.083 0.000 0.869 53 E CB 0.158 29.817 29.700 -0.068 0.000 0.857 53 E HN 0.538 nan 8.360 nan 0.000 0.505 54 N N -0.346 118.168 118.700 -0.310 0.000 2.428 54 N HA 0.001 4.740 4.740 -0.001 0.000 0.249 54 N C 0.487 175.829 175.510 -0.281 0.000 1.092 54 N CA 0.341 53.199 53.050 -0.320 0.000 0.833 54 N CB 0.703 38.880 38.487 -0.518 0.000 1.575 54 N HN 0.002 nan 8.380 nan 0.000 0.476 55 D N 0.669 120.821 120.400 -0.415 0.000 2.441 55 D HA 0.035 4.674 4.640 -0.001 0.000 0.210 55 D C 0.108 176.050 176.300 -0.597 0.000 1.102 55 D CA -0.082 53.678 54.000 -0.400 0.000 0.840 55 D CB 0.024 40.684 40.800 -0.235 0.000 0.990 55 D HN 0.081 nan 8.370 nan 0.000 0.505 56 N N 1.456 119.644 118.700 -0.854 0.000 2.315 56 N HA 0.141 4.880 4.740 -0.001 0.000 0.270 56 N C -0.785 174.651 175.510 -0.124 0.000 1.329 56 N CA 0.323 53.023 53.050 -0.583 0.000 0.860 56 N CB 0.238 38.605 38.487 -0.200 0.000 1.095 56 N HN 0.116 nan 8.380 nan 0.000 0.487 57 A N 3.207 126.048 122.820 0.034 0.000 2.544 57 A HA 0.311 4.630 4.320 -0.001 0.000 0.291 57 A C -0.860 176.787 177.584 0.105 0.000 1.055 57 A CA -0.928 51.173 52.037 0.108 0.000 0.651 57 A CB 0.479 19.583 19.000 0.173 0.000 1.296 57 A HN 0.769 nan 8.150 nan 0.000 0.431 58 N N -0.450 118.293 118.700 0.073 0.000 2.479 58 N HA 0.427 5.166 4.740 -0.001 0.000 0.257 58 N C 0.360 175.853 175.510 -0.028 0.000 1.232 58 N CA 0.182 53.242 53.050 0.016 0.000 0.920 58 N CB 0.740 39.233 38.487 0.011 0.000 1.105 58 N HN 0.846 nan 8.380 nan 0.000 0.444 64 H N -1.091 117.978 119.070 -0.001 0.000 2.745 64 H HA 0.621 5.176 4.556 -0.001 0.000 0.373 64 H C 1.552 176.880 175.328 -0.000 0.000 1.226 64 H CA 0.642 56.689 56.048 -0.002 0.000 1.435 64 H CB 0.394 30.152 29.762 -0.007 0.000 1.461 64 H HN 0.796 nan 8.280 nan 0.000 0.616 65 Q N 1.189 121.091 119.800 0.170 0.000 2.047 65 Q HA -0.202 4.137 4.340 -0.001 0.000 0.211 65 Q C 2.195 178.259 176.000 0.108 0.000 1.005 65 Q CA 2.601 58.465 55.803 0.103 0.000 0.866 65 Q CB -1.138 27.646 28.738 0.077 0.000 0.938 65 Q HN 0.690 nan 8.270 nan 0.000 0.414 66 L N 0.628 121.974 121.223 0.205 0.000 2.042 66 L HA -0.127 4.212 4.340 -0.001 0.000 0.210 66 L C 2.802 179.719 176.870 0.077 0.000 1.076 66 L CA 2.308 57.228 54.840 0.133 0.000 0.749 66 L CB -0.955 41.188 42.059 0.141 0.000 0.893 66 L HN 0.581 nan 8.230 nan 0.000 0.432 67 S N -1.207 114.477 115.700 -0.026 0.000 2.368 67 S HA -0.155 4.314 4.470 -0.001 0.000 0.225 67 S C 2.072 176.625 174.600 -0.079 0.000 1.030 67 S CA 1.433 59.518 58.200 -0.191 0.000 0.999 67 S CB -0.193 62.633 63.200 -0.624 0.000 0.844 67 S HN 0.203 nan 8.310 nan 0.000 0.459 68 V N 1.603 121.481 119.914 -0.061 0.000 2.295 68 V HA -0.137 3.982 4.120 -0.001 0.000 0.246 68 V C 2.665 178.780 176.094 0.035 0.000 1.049 68 V CA 2.112 64.406 62.300 -0.010 0.000 1.024 68 V CB -0.683 31.139 31.823 -0.001 0.000 0.648 68 V HN 0.404 nan 8.190 nan 0.000 0.447 69 R N -0.077 120.451 120.500 0.046 0.000 2.081 69 R HA -0.094 4.245 4.340 -0.001 0.000 0.235 69 R C 2.411 178.783 176.300 0.121 0.000 1.131 69 R CA 1.521 57.665 56.100 0.073 0.000 0.960 69 R CB -0.608 29.728 30.300 0.061 0.000 0.856 69 R HN 0.545 nan 8.270 nan 0.000 0.436 70 A N -0.031 122.869 122.820 0.133 0.000 1.898 70 A HA -0.135 4.185 4.320 -0.001 0.000 0.216 70 A C 2.118 179.822 177.584 0.200 0.000 1.181 70 A CA 1.887 54.082 52.037 0.263 0.000 0.620 70 A CB -0.780 18.378 19.000 0.264 0.000 0.819 70 A HN 0.288 nan 8.150 nan 0.000 0.442 71 T N 0.376 115.004 114.554 0.123 0.000 2.746 71 T HA -0.125 4.224 4.350 -0.001 0.000 0.267 71 T C 1.485 176.278 174.700 0.155 0.000 1.039 71 T CA 1.522 63.700 62.100 0.131 0.000 1.142 71 T CB -0.408 68.500 68.868 0.066 0.000 0.866 71 T HN 0.462 nan 8.240 nan 0.000 0.444 72 D N 1.342 121.809 120.400 0.113 0.000 2.117 72 D HA -0.009 4.630 4.640 -0.001 0.000 0.197 72 D C 2.373 178.733 176.300 0.100 0.000 0.987 72 D CA 1.217 55.273 54.000 0.094 0.000 0.829 72 D CB -0.422 40.420 40.800 0.070 0.000 0.961 72 D HN 0.410 nan 8.370 nan 0.000 0.460 73 A N 0.196 123.091 122.820 0.125 0.000 1.873 73 A HA -0.203 4.116 4.320 -0.001 0.000 0.215 73 A C 2.207 179.849 177.584 0.097 0.000 1.186 73 A CA 1.224 53.326 52.037 0.107 0.000 0.616 73 A CB -1.075 18.014 19.000 0.148 0.000 0.823 73 A HN 0.346 nan 8.150 nan 0.000 0.442 74 Y N 0.659 120.961 120.300 0.002 0.000 2.200 74 Y HA -0.170 4.379 4.550 -0.001 0.000 0.290 74 Y C 2.268 178.199 175.900 0.052 0.000 1.137 74 Y CA 2.163 60.253 58.100 -0.017 0.000 1.163 74 Y CB -0.121 38.328 38.460 -0.017 0.000 0.988 74 Y HN 0.437 nan 8.280 nan 0.000 0.518 75 E N -0.106 120.154 120.200 0.099 0.000 2.204 75 E HA -0.164 4.185 4.350 -0.001 0.000 0.194 75 E C 2.170 178.757 176.600 -0.021 0.000 0.989 75 E CA 0.672 57.091 56.400 0.032 0.000 0.824 75 E CB -0.197 29.575 29.700 0.119 0.000 0.756 75 E HN 0.588 nan 8.360 nan 0.000 0.477 76 A N 0.785 123.598 122.820 -0.011 0.000 2.119 76 A HA -0.071 4.248 4.320 -0.001 0.000 0.217 76 A C 2.352 179.912 177.584 -0.041 0.000 1.153 76 A CA 0.579 52.607 52.037 -0.015 0.000 0.692 76 A CB -0.202 18.798 19.000 0.000 0.000 0.799 76 A HN 0.085 nan 8.150 nan 0.000 0.458 77 V N -0.198 119.666 119.914 -0.084 0.000 2.358 77 V HA -0.235 3.884 4.120 -0.001 0.000 0.246 77 V C 2.534 178.615 176.094 -0.022 0.000 1.047 77 V CA 2.114 64.365 62.300 -0.081 0.000 1.035 77 V CB -0.784 30.935 31.823 -0.173 0.000 0.658 77 V HN 0.612 nan 8.190 nan 0.000 0.452 78 R N 0.308 120.808 120.500 -0.000 0.000 2.103 78 R HA -0.238 4.102 4.340 -0.001 0.000 0.242 78 R C 2.204 178.467 176.300 -0.061 0.000 1.142 78 R CA 2.169 58.248 56.100 -0.035 0.000 0.960 78 R CB -0.304 29.929 30.300 -0.113 0.000 0.858 78 R HN 0.545 nan 8.270 nan 0.000 0.439 79 N N 0.299 118.975 118.700 -0.040 0.000 2.396 79 N HA -0.084 4.655 4.740 -0.001 0.000 0.180 79 N C 1.092 176.589 175.510 -0.023 0.000 1.028 79 N CA 1.068 54.101 53.050 -0.029 0.000 0.893 79 N CB 0.227 38.705 38.487 -0.016 0.000 0.967 79 N HN 0.167 nan 8.380 nan 0.000 0.440 80 K N -0.533 119.851 120.400 -0.027 0.000 2.057 80 K HA -0.026 4.293 4.320 -0.001 0.000 0.206 80 K C 1.722 178.313 176.600 -0.015 0.000 1.050 80 K CA 1.055 57.333 56.287 -0.016 0.000 0.935 80 K CB -0.038 32.441 32.500 -0.034 0.000 0.715 80 K HN 0.014 nan 8.250 nan 0.000 0.439 81 V N 1.368 121.234 119.914 -0.080 0.000 2.358 81 V HA -0.220 3.899 4.120 -0.001 0.000 0.246 81 V C 2.347 178.379 176.094 -0.103 0.000 1.047 81 V CA 1.930 64.127 62.300 -0.172 0.000 1.035 81 V CB -0.658 30.944 31.823 -0.369 0.000 0.658 81 V HN 0.337 nan 8.190 nan 0.000 0.452 82 A N 0.552 123.323 122.820 -0.083 0.000 1.883 82 A HA -0.268 4.052 4.320 -0.001 0.000 0.217 82 A C 2.483 180.056 177.584 -0.018 0.000 1.186 82 A CA 2.953 54.964 52.037 -0.045 0.000 0.624 82 A CB -0.823 18.160 19.000 -0.028 0.000 0.822 82 A HN 0.528 nan 8.150 nan 0.000 0.444 83 K N -1.157 119.248 120.400 0.007 0.000 2.097 83 K HA -0.081 4.238 4.320 -0.001 0.000 0.206 83 K C 1.946 178.573 176.600 0.045 0.000 1.049 83 K CA 1.579 57.876 56.287 0.016 0.000 0.933 83 K CB -1.288 31.227 32.500 0.025 0.000 0.717 83 K HN 0.599 nan 8.250 nan 0.000 0.442 84 F N 1.296 121.207 119.950 -0.064 0.000 2.161 84 F HA -0.059 4.467 4.527 -0.001 0.000 0.300 84 F C 1.799 177.582 175.800 -0.029 0.000 1.089 84 F CA 1.906 59.883 58.000 -0.038 0.000 1.282 84 F CB 0.160 39.141 39.000 -0.031 0.000 1.010 84 F HN 0.260 nan 8.300 nan 0.000 0.485 85 I N -2.771 117.779 120.570 -0.033 0.000 4.025 85 I HA 0.294 4.463 4.170 -0.001 0.000 0.336 85 I C 0.482 176.494 176.117 -0.176 0.000 1.390 85 I CA 0.055 61.276 61.300 -0.132 0.000 1.099 85 I CB -0.416 37.566 38.000 -0.029 0.000 1.049 85 I HN 0.152 nan 8.210 nan 0.000 0.394 86 N N 2.158 120.779 118.700 -0.131 0.000 2.740 86 N HA -0.193 4.546 4.740 -0.001 0.000 0.248 86 N C -0.004 175.427 175.510 -0.133 0.000 1.062 86 N CA 0.733 53.713 53.050 -0.116 0.000 0.704 86 N CB -0.964 37.452 38.487 -0.118 0.000 0.968 86 N HN 0.743 nan 8.380 nan 0.000 0.547 87 A N 0.279 123.024 122.820 -0.125 0.000 2.386 87 A HA 0.389 4.709 4.320 -0.001 0.000 0.248 87 A C 1.411 179.000 177.584 0.009 0.000 1.082 87 A CA 0.037 52.032 52.037 -0.071 0.000 0.789 87 A CB 0.467 19.494 19.000 0.045 0.000 1.025 87 A HN 0.500 nan 8.150 nan 0.000 0.490 88 R N 0.166 120.702 120.500 0.059 0.000 2.092 88 R HA -0.002 4.337 4.340 -0.001 0.000 0.231 88 R C 0.560 176.877 176.300 0.029 0.000 1.119 88 R CA 1.492 57.613 56.100 0.034 0.000 0.970 88 R CB -0.029 30.293 30.300 0.038 0.000 0.864 88 R HN 0.643 nan 8.270 nan 0.000 0.440 89 S N -1.044 114.685 115.700 0.048 0.000 2.546 89 S HA 0.288 4.757 4.470 -0.001 0.000 0.274 89 S C -2.290 172.322 174.600 0.021 0.000 1.121 89 S CA -1.726 56.489 58.200 0.025 0.000 0.887 89 S CB 2.149 65.360 63.200 0.018 0.000 1.094 89 S HN -0.155 nan 8.310 nan 0.000 0.474 90 P HA -0.006 nan 4.420 nan 0.000 0.230 90 P C 0.770 178.032 177.300 -0.064 0.000 1.158 90 P CA 0.493 63.570 63.100 -0.038 0.000 0.769 90 P CB 0.019 31.693 31.700 -0.044 0.000 0.807 91 R N 0.351 120.826 120.500 -0.041 0.000 2.316 91 R HA -0.020 4.319 4.340 -0.001 0.000 0.202 91 R C 1.508 177.783 176.300 -0.042 0.000 1.029 91 R CA 0.737 56.803 56.100 -0.056 0.000 1.018 91 R CB -0.236 30.049 30.300 -0.024 0.000 0.888 91 R HN 0.404 nan 8.270 nan 0.000 0.471 92 E N 0.166 120.355 120.200 -0.018 0.000 2.479 92 E HA 0.078 4.427 4.350 -0.001 0.000 0.193 92 E C -0.183 176.420 176.600 0.005 0.000 1.049 92 E CA 0.063 56.447 56.400 -0.027 0.000 0.870 92 E CB 0.516 30.232 29.700 0.027 0.000 0.944 92 E HN 0.089 nan 8.360 nan 0.000 0.492 93 I N 1.990 122.541 120.570 -0.033 0.000 2.339 93 I HA 0.232 4.401 4.170 -0.001 0.000 0.290 93 I C -0.208 175.793 176.117 -0.193 0.000 0.994 93 I CA -0.759 60.499 61.300 -0.070 0.000 1.191 93 I CB 1.459 39.348 38.000 -0.185 0.000 1.343 93 I HN -0.264 nan 8.210 nan 0.000 0.458 94 V N 7.361 127.227 119.914 -0.080 0.000 2.487 94 V HA 0.357 4.476 4.120 -0.001 0.000 0.298 94 V C -0.590 175.525 176.094 0.036 0.000 1.028 94 V CA -0.788 61.464 62.300 -0.080 0.000 0.860 94 V CB 1.686 33.515 31.823 0.010 0.000 0.991 94 V HN 0.368 nan 8.190 nan 0.000 0.427 95 Y N 3.052 123.448 120.300 0.161 0.000 2.319 95 Y HA 0.575 5.125 4.550 -0.002 0.000 0.328 95 Y C 1.016 177.007 175.900 0.153 0.000 1.133 95 Y CA -0.549 57.658 58.100 0.178 0.000 1.265 95 Y CB 1.181 39.745 38.460 0.172 0.000 1.218 95 Y HN 0.797 nan 8.280 nan 0.000 0.508 96 T N -0.939 113.804 114.554 0.316 0.000 2.804 96 T HA 0.417 4.766 4.350 -0.001 0.000 0.290 96 T C 0.843 175.645 174.700 0.171 0.000 1.099 96 T CA -1.114 61.099 62.100 0.188 0.000 1.011 96 T CB 2.060 70.998 68.868 0.118 0.000 1.291 96 T HN 0.612 nan 8.240 nan 0.000 0.523 97 R N 0.795 121.375 120.500 0.134 0.000 2.093 97 R HA 0.056 4.395 4.340 -0.001 0.000 0.224 97 R C -0.104 176.268 176.300 0.120 0.000 1.101 97 R CA 1.503 57.677 56.100 0.124 0.000 0.979 97 R CB -0.340 30.029 30.300 0.115 0.000 0.877 97 R HN 0.850 nan 8.270 nan 0.000 0.441 98 N N -3.599 115.164 118.700 0.104 0.000 3.106 98 N HA 0.162 4.902 4.740 -0.001 0.000 0.253 98 N C -0.144 175.386 175.510 0.033 0.000 1.506 98 N CA -0.046 53.060 53.050 0.094 0.000 0.876 98 N CB 0.476 39.037 38.487 0.124 0.000 1.452 98 N HN -0.126 nan 8.380 nan 0.000 0.542 99 A N -0.378 122.432 122.820 -0.016 0.000 1.972 99 A HA -0.094 4.225 4.320 -0.001 0.000 0.219 99 A C 1.681 179.241 177.584 -0.039 0.000 1.169 99 A CA 2.257 54.250 52.037 -0.073 0.000 0.635 99 A CB -1.490 17.436 19.000 -0.124 0.000 0.810 99 A HN 0.751 nan 8.150 nan 0.000 0.446 100 T N -0.413 114.138 114.554 -0.005 0.000 2.684 100 T HA -0.189 4.160 4.350 -0.001 0.000 0.267 100 T C 1.860 176.570 174.700 0.017 0.000 1.036 100 T CA 1.655 63.764 62.100 0.015 0.000 1.148 100 T CB -0.245 68.661 68.868 0.063 0.000 0.863 100 T HN 0.772 nan 8.240 nan 0.000 0.436 101 E N 1.000 121.225 120.200 0.043 0.000 2.077 101 E HA -0.133 4.216 4.350 -0.001 0.000 0.193 101 E C 2.387 178.991 176.600 0.007 0.000 0.989 101 E CA 1.042 57.477 56.400 0.058 0.000 0.800 101 E CB -0.266 29.480 29.700 0.076 0.000 0.746 101 E HN 0.469 nan 8.360 nan 0.000 0.452 102 A N 1.175 123.985 122.820 -0.017 0.000 1.908 102 A HA -0.182 4.137 4.320 -0.001 0.000 0.218 102 A C 2.191 179.702 177.584 -0.121 0.000 1.181 102 A CA 1.559 53.561 52.037 -0.057 0.000 0.627 102 A CB -0.656 18.318 19.000 -0.044 0.000 0.818 102 A HN 0.381 nan 8.150 nan 0.000 0.445 103 I N -0.222 120.283 120.570 -0.108 0.000 2.252 103 I HA -0.243 3.926 4.170 -0.001 0.000 0.245 103 I C 2.217 178.152 176.117 -0.303 0.000 1.102 103 I CA 1.137 62.341 61.300 -0.161 0.000 1.385 103 I CB -0.520 37.417 38.000 -0.106 0.000 1.064 103 I HN 0.375 nan 8.210 nan 0.000 0.414 104 N N 1.040 119.614 118.700 -0.210 0.000 2.166 104 N HA -0.179 4.560 4.740 -0.001 0.000 0.186 104 N C 2.024 177.361 175.510 -0.288 0.000 1.019 104 N CA 1.173 54.121 53.050 -0.170 0.000 0.856 104 N CB -0.145 38.400 38.487 0.098 0.000 0.993 104 N HN 0.362 nan 8.380 nan 0.000 0.426 105 L N 1.154 122.173 121.223 -0.339 0.000 2.012 105 L HA -0.158 4.181 4.340 -0.001 0.000 0.210 105 L C 2.095 178.636 176.870 -0.547 0.000 1.073 105 L CA 1.130 55.594 54.840 -0.628 0.000 0.748 105 L CB -0.225 41.660 42.059 -0.289 0.000 0.891 105 L HN -0.106 nan 8.230 nan 0.000 0.431 106 V N 0.248 119.896 119.914 -0.443 0.000 2.343 106 V HA -0.268 3.851 4.120 -0.001 0.000 0.247 106 V C 2.825 178.761 176.094 -0.262 0.000 1.051 106 V CA 1.616 63.643 62.300 -0.456 0.000 1.036 106 V CB -1.134 30.258 31.823 -0.718 0.000 0.654 106 V HN 0.607 nan 8.190 nan 0.000 0.451 107 A N -0.996 121.571 122.820 -0.423 0.000 1.877 107 A HA -0.225 4.094 4.320 -0.001 0.000 0.216 107 A C 2.085 179.443 177.584 -0.376 0.000 1.186 107 A CA 1.983 53.703 52.037 -0.529 0.000 0.620 107 A CB -0.706 17.657 19.000 -1.060 0.000 0.822 107 A HN 0.557 nan 8.150 nan 0.000 0.443 108 Y N -0.628 119.440 120.300 -0.387 0.000 2.243 108 Y HA -0.062 4.487 4.550 -0.001 0.000 0.293 108 Y C 3.194 178.981 175.900 -0.187 0.000 1.124 108 Y CA 1.432 59.351 58.100 -0.302 0.000 1.159 108 Y CB -0.338 37.833 38.460 -0.482 0.000 1.008 108 Y HN 0.367 nan 8.280 nan 0.000 0.527 109 S N -1.196 114.445 115.700 -0.099 0.000 2.345 109 S HA -0.198 4.271 4.470 -0.001 0.000 0.219 109 S C 1.771 176.466 174.600 0.157 0.000 1.031 109 S CA 1.357 59.609 58.200 0.087 0.000 0.984 109 S CB -0.465 62.812 63.200 0.127 0.000 0.874 109 S HN 0.594 nan 8.310 nan 0.000 0.451 110 W N 1.441 122.721 121.300 -0.034 0.000 2.633 110 W HA 0.279 4.938 4.660 -0.002 0.000 0.295 110 W C 2.344 178.885 176.519 0.037 0.000 1.133 110 W CA 0.912 58.280 57.345 0.039 0.000 1.490 110 W CB -0.847 28.636 29.460 0.039 0.000 1.127 110 W HN 0.334 nan 8.180 nan 0.000 0.538 111 G N 0.939 109.914 108.800 0.291 0.000 2.514 111 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.217 111 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.217 111 G C 1.356 176.214 174.900 -0.070 0.000 1.198 111 G CA 1.645 46.851 45.100 0.177 0.000 0.780 111 G HN 0.115 nan 8.290 nan 0.000 0.565 112 M N 1.004 120.564 119.600 -0.067 0.000 2.358 112 M HA 0.008 4.487 4.480 -0.001 0.000 0.264 112 M C 1.543 177.796 176.300 -0.077 0.000 1.064 112 M CA 0.821 56.083 55.300 -0.063 0.000 1.093 112 M CB -0.775 31.817 32.600 -0.013 0.000 1.401 112 M HN 0.219 nan 8.290 nan 0.000 0.440 113 N N -0.228 118.394 118.700 -0.130 0.000 2.220 113 N HA 0.042 4.781 4.740 -0.001 0.000 0.195 113 N C 0.399 175.745 175.510 -0.273 0.000 1.123 113 N CA 0.362 53.325 53.050 -0.145 0.000 0.874 113 N CB 0.201 38.644 38.487 -0.073 0.000 0.995 113 N HN 0.397 nan 8.380 nan 0.000 0.498 114 N N -0.452 117.949 118.700 -0.498 0.000 2.181 114 N HA 0.165 4.904 4.740 -0.001 0.000 0.207 114 N C -0.938 174.301 175.510 -0.451 0.000 1.182 114 N CA -0.026 52.648 53.050 -0.627 0.000 0.893 114 N CB 0.885 38.566 38.487 -1.343 0.000 1.032 114 N HN -0.074 nan 8.380 nan 0.000 0.513 115 L N 1.194 122.224 121.223 -0.321 0.000 2.296 115 L HA 0.639 4.978 4.340 -0.001 0.000 0.286 115 L C 0.410 177.224 176.870 -0.092 0.000 1.023 115 L CA -0.590 54.155 54.840 -0.159 0.000 0.812 115 L CB 0.756 42.766 42.059 -0.082 0.000 1.223 115 L HN -0.021 nan 8.230 nan 0.000 0.421 116 K N 2.066 122.430 120.400 -0.061 0.000 2.306 116 K HA 0.957 5.276 4.320 -0.001 0.000 0.236 116 K C -0.042 176.545 176.600 -0.021 0.000 1.013 116 K CA -0.311 55.953 56.287 -0.039 0.000 0.857 116 K CB 0.833 33.312 32.500 -0.036 0.000 1.214 116 K HN 0.840 nan 8.250 nan 0.000 0.449 117 A N -0.312 122.500 122.820 -0.013 0.000 2.567 117 A HA 0.464 4.783 4.320 -0.001 0.000 0.240 117 A C 1.700 179.280 177.584 -0.006 0.000 1.053 117 A CA 1.459 53.493 52.037 -0.006 0.000 0.755 117 A CB -1.140 17.858 19.000 -0.003 0.000 0.978 117 A HN 2.522 nan 8.150 nan 0.000 0.507 118 G N 2.078 110.876 108.800 -0.003 0.000 2.299 118 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.237 118 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.237 118 G C 0.087 174.982 174.900 -0.008 0.000 1.027 118 G CA 0.354 45.451 45.100 -0.005 0.000 0.619 118 G HN 0.853 nan 8.290 nan 0.000 0.513 119 D N 1.903 122.298 120.400 -0.008 0.000 2.449 119 D HA 0.446 5.085 4.640 -0.001 0.000 0.236 119 D C 0.691 176.985 176.300 -0.010 0.000 1.149 119 D CA 0.601 54.597 54.000 -0.006 0.000 0.878 119 D CB 0.591 41.388 40.800 -0.005 0.000 1.198 119 D HN 0.596 nan 8.370 nan 0.000 0.446 120 E N 0.739 120.929 120.200 -0.016 0.000 2.195 120 E HA 0.535 4.884 4.350 -0.001 0.000 0.271 120 E C -0.333 176.236 176.600 -0.052 0.000 0.923 120 E CA -0.682 55.695 56.400 -0.039 0.000 0.790 120 E CB 1.926 31.595 29.700 -0.052 0.000 1.155 120 E HN 0.289 nan 8.360 nan 0.000 0.402 121 I N 3.667 124.179 120.570 -0.097 0.000 2.382 121 I HA 0.334 4.503 4.170 -0.001 0.000 0.286 121 I C -0.502 175.487 176.117 -0.213 0.000 1.002 121 I CA -0.566 60.639 61.300 -0.159 0.000 1.135 121 I CB 1.117 39.000 38.000 -0.196 0.000 1.288 121 I HN 0.333 nan 8.210 nan 0.000 0.448 122 I N 5.599 126.070 120.570 -0.166 0.000 2.331 122 I HA 0.377 4.546 4.170 -0.001 0.000 0.292 122 I C 0.371 176.400 176.117 -0.146 0.000 0.998 122 I CA 0.112 61.334 61.300 -0.131 0.000 1.267 122 I CB 1.786 39.819 38.000 0.055 0.000 1.386 122 I HN 0.569 nan 8.210 nan 0.000 0.476 123 T N 3.343 117.775 114.554 -0.202 0.000 2.591 123 T HA 0.601 4.950 4.350 -0.001 0.000 0.274 123 T C -0.498 174.230 174.700 0.048 0.000 0.945 123 T CA -0.289 61.754 62.100 -0.097 0.000 1.087 123 T CB 1.809 70.601 68.868 -0.126 0.000 1.416 123 T HN 0.724 nan 8.240 nan 0.000 0.514 124 T N -0.978 113.688 114.554 0.186 0.000 2.930 124 T HA 0.504 4.853 4.350 -0.001 0.000 0.290 124 T C 1.387 176.295 174.700 0.346 0.000 1.052 124 T CA -0.014 62.238 62.100 0.254 0.000 1.017 124 T CB 1.037 70.052 68.868 0.245 0.000 1.137 124 T HN 0.789 nan 8.240 nan 0.000 0.511 125 V N -0.004 120.054 119.914 0.241 0.000 3.141 125 V HA 0.048 4.168 4.120 -0.001 0.000 0.265 125 V C 1.928 178.076 176.094 0.091 0.000 1.126 125 V CA 1.538 63.912 62.300 0.124 0.000 1.141 125 V CB -1.542 30.281 31.823 -0.000 0.000 0.743 125 V HN 0.913 nan 8.190 nan 0.000 0.492 126 M N -1.506 118.174 119.600 0.134 0.000 2.428 126 M HA 0.407 4.886 4.480 -0.001 0.000 0.239 126 M C 0.282 176.676 176.300 0.157 0.000 1.121 126 M CA 0.075 55.452 55.300 0.129 0.000 1.019 126 M CB -0.091 32.593 32.600 0.141 0.000 1.485 126 M HN 0.123 nan 8.290 nan 0.000 0.484 127 E N 2.574 122.889 120.200 0.192 0.000 2.467 127 E HA -0.060 4.289 4.350 -0.001 0.000 0.264 127 E C -0.334 176.396 176.600 0.216 0.000 1.020 127 E CA 0.400 56.932 56.400 0.220 0.000 0.945 127 E CB 0.229 30.087 29.700 0.263 0.000 0.942 127 E HN 0.311 nan 8.360 nan 0.000 0.449 128 H N 2.290 121.430 119.070 0.117 0.000 2.690 128 H HA 0.033 4.588 4.556 -0.002 0.000 0.365 128 H C 0.934 176.347 175.328 0.142 0.000 1.142 128 H CA 0.461 56.547 56.048 0.062 0.000 1.417 128 H CB 0.489 30.288 29.762 0.063 0.000 1.446 128 H HN 0.595 nan 8.280 nan 0.000 0.599 129 H N 1.816 120.847 119.070 -0.066 0.000 2.426 129 H HA -0.121 4.434 4.556 -0.002 0.000 0.298 129 H C 1.976 177.424 175.328 0.200 0.000 1.107 129 H CA 1.243 57.316 56.048 0.042 0.000 1.298 129 H CB 0.468 30.182 29.762 -0.080 0.000 1.377 129 H HN 0.466 nan 8.280 nan 0.000 0.519 130 S N -0.001 116.045 115.700 0.576 0.000 2.447 130 S HA -0.125 4.344 4.470 -0.001 0.000 0.233 130 S C 1.437 176.142 174.600 0.175 0.000 1.006 130 S CA 0.635 59.017 58.200 0.304 0.000 0.957 130 S CB -0.098 63.228 63.200 0.211 0.000 0.773 130 S HN 0.487 nan 8.310 nan 0.000 0.507 131 N N 0.144 119.005 118.700 0.268 0.000 2.328 131 N HA 0.205 4.944 4.740 -0.001 0.000 0.247 131 N C 0.525 176.301 175.510 0.443 0.000 1.165 131 N CA 0.053 53.294 53.050 0.320 0.000 0.873 131 N CB 0.267 38.934 38.487 0.301 0.000 1.125 131 N HN 0.194 nan 8.380 nan 0.000 0.513 132 L N -1.149 120.265 121.223 0.319 0.000 2.598 132 L HA 0.261 4.600 4.340 -0.001 0.000 0.205 132 L C 1.540 178.524 176.870 0.190 0.000 1.054 132 L CA 0.606 55.652 54.840 0.343 0.000 0.934 132 L CB -0.390 41.853 42.059 0.307 0.000 1.704 132 L HN -0.155 nan 8.230 nan 0.000 0.491 133 V N 1.698 121.664 119.914 0.086 0.000 2.332 133 V HA -0.155 3.964 4.120 -0.001 0.000 0.248 133 V C -0.483 175.554 176.094 -0.096 0.000 1.055 133 V CA 2.546 64.849 62.300 0.005 0.000 1.038 133 V CB -1.762 30.060 31.823 -0.002 0.000 0.651 133 V HN 0.311 nan 8.190 nan 0.000 0.450 134 P HA -0.153 nan 4.420 nan 0.000 0.216 134 P C 1.225 178.188 177.300 -0.562 0.000 1.150 134 P CA 1.598 64.386 63.100 -0.520 0.000 0.837 134 P CB -0.124 31.087 31.700 -0.815 0.000 0.786 135 W N -0.350 120.925 121.300 -0.042 0.000 2.467 135 W HA -0.006 4.653 4.660 -0.001 0.000 0.275 135 W C 2.400 178.903 176.519 -0.027 0.000 1.239 135 W CA 0.191 57.508 57.345 -0.045 0.000 1.266 135 W CB -0.778 28.667 29.460 -0.026 0.000 1.112 135 W HN 0.025 nan 8.180 nan 0.000 0.576 136 Q N 0.120 120.006 119.800 0.143 0.000 2.123 136 Q HA -0.137 4.202 4.340 -0.001 0.000 0.199 136 Q C 2.168 178.189 176.000 0.035 0.000 0.966 136 Q CA 1.344 57.209 55.803 0.103 0.000 0.845 136 Q CB -0.373 28.418 28.738 0.087 0.000 0.907 136 Q HN 0.401 nan 8.270 nan 0.000 0.439 137 M N -0.203 119.378 119.600 -0.031 0.000 2.132 137 M HA -0.151 4.328 4.480 -0.001 0.000 0.263 137 M C 2.204 178.455 176.300 -0.081 0.000 1.065 137 M CA 1.070 56.330 55.300 -0.067 0.000 1.122 137 M CB -0.174 32.347 32.600 -0.132 0.000 1.365 137 M HN 0.044 nan 8.290 nan 0.000 0.411 138 V N 0.481 120.337 119.914 -0.095 0.000 2.358 138 V HA -0.237 3.882 4.120 -0.001 0.000 0.246 138 V C 2.661 178.765 176.094 0.017 0.000 1.047 138 V CA 2.002 64.271 62.300 -0.051 0.000 1.035 138 V CB -1.137 30.719 31.823 0.055 0.000 0.658 138 V HN 0.514 nan 8.190 nan 0.000 0.452 139 A N 0.003 122.857 122.820 0.058 0.000 1.902 139 A HA -0.132 4.187 4.320 -0.001 0.000 0.217 139 A C 2.395 179.998 177.584 0.032 0.000 1.181 139 A CA 2.084 54.153 52.037 0.053 0.000 0.623 139 A CB -0.737 18.307 19.000 0.074 0.000 0.818 139 A HN 0.579 nan 8.150 nan 0.000 0.443 140 A N -0.847 121.989 122.820 0.026 0.000 1.969 140 A HA 0.118 4.438 4.320 -0.001 0.000 0.218 140 A C 2.304 179.898 177.584 0.016 0.000 1.169 140 A CA 2.441 54.491 52.037 0.022 0.000 0.635 140 A CB -0.616 18.397 19.000 0.021 0.000 0.810 140 A HN 0.671 nan 8.150 nan 0.000 0.445 141 K N -0.836 119.569 120.400 0.009 0.000 2.242 141 K HA 0.039 4.358 4.320 -0.001 0.000 0.200 141 K C 2.016 178.620 176.600 0.007 0.000 1.050 141 K CA 1.776 58.069 56.287 0.011 0.000 0.981 141 K CB -1.183 31.322 32.500 0.008 0.000 0.795 141 K HN 0.753 nan 8.250 nan 0.000 0.477 142 T N -4.986 109.569 114.554 0.002 0.000 3.037 142 T HA 0.358 4.707 4.350 -0.001 0.000 0.252 142 T C 1.787 176.487 174.700 0.001 0.000 1.073 142 T CA 1.262 63.360 62.100 -0.004 0.000 1.091 142 T CB 0.420 69.279 68.868 -0.014 0.000 0.935 142 T HN 1.339 nan 8.240 nan 0.000 0.488 143 G N 1.446 110.251 108.800 0.009 0.000 2.175 143 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 143 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 143 G C 0.366 175.272 174.900 0.011 0.000 0.982 143 G CA -0.036 45.070 45.100 0.010 0.000 0.641 143 G HN 1.141 nan 8.290 nan 0.000 0.527 144 A N -0.669 122.159 122.820 0.013 0.000 2.448 144 A HA 0.631 4.950 4.320 -0.001 0.000 0.239 144 A C 0.521 178.115 177.584 0.016 0.000 1.080 144 A CA 0.837 52.881 52.037 0.013 0.000 0.779 144 A CB 0.785 19.799 19.000 0.024 0.000 1.026 144 A HN 1.238 nan 8.150 nan 0.000 0.499 145 V N 2.082 121.998 119.914 0.002 0.000 2.495 145 V HA 0.345 4.464 4.120 -0.001 0.000 0.298 145 V C -0.100 175.971 176.094 -0.040 0.000 1.031 145 V CA -0.387 61.913 62.300 -0.000 0.000 0.871 145 V CB 1.455 33.277 31.823 -0.001 0.000 0.988 145 V HN 0.727 nan 8.190 nan 0.000 0.432 146 L N 5.192 126.389 121.223 -0.043 0.000 2.312 146 L HA 0.577 4.916 4.340 -0.001 0.000 0.281 146 L C -0.002 176.689 176.870 -0.298 0.000 1.070 146 L CA -0.481 54.233 54.840 -0.210 0.000 0.805 146 L CB 1.038 42.983 42.059 -0.191 0.000 1.174 146 L HN 0.477 nan 8.230 nan 0.000 0.434 147 K N 3.243 123.355 120.400 -0.479 0.000 2.318 147 K HA 0.592 4.911 4.320 -0.001 0.000 0.249 147 K C -1.215 175.025 176.600 -0.600 0.000 0.942 147 K CA -0.511 55.582 56.287 -0.323 0.000 0.808 147 K CB 2.355 34.753 32.500 -0.170 0.000 1.189 147 K HN 0.210 nan 8.250 nan 0.000 0.428 148 F N 0.597 120.567 119.950 0.034 0.000 2.507 148 F HA 0.256 4.782 4.527 -0.002 0.000 0.328 148 F C 0.258 176.105 175.800 0.080 0.000 1.136 148 F CA -1.160 56.872 58.000 0.053 0.000 0.930 148 F CB 1.569 40.599 39.000 0.050 0.000 1.166 148 F HN -0.015 nan 8.300 nan 0.000 0.436 149 V N 4.109 124.122 119.914 0.165 0.000 2.572 149 V HA 0.100 4.219 4.120 -0.001 0.000 0.291 149 V C 0.246 176.418 176.094 0.129 0.000 1.039 149 V CA -0.529 61.823 62.300 0.086 0.000 1.055 149 V CB 0.744 32.413 31.823 -0.257 0.000 0.969 149 V HN 0.828 nan 8.190 nan 0.000 0.482 150 Q N 5.091 125.030 119.800 0.231 0.000 2.237 150 Q HA 0.651 4.990 4.340 -0.001 0.000 0.219 150 Q C -0.764 175.183 176.000 -0.089 0.000 0.999 150 Q CA -0.869 54.917 55.803 -0.028 0.000 0.959 150 Q CB 1.051 29.642 28.738 -0.245 0.000 1.173 150 Q HN 0.573 nan 8.270 nan 0.000 0.527 151 L N 1.689 122.864 121.223 -0.080 0.000 2.375 151 L HA 0.261 4.600 4.340 -0.001 0.000 0.271 151 L C 0.155 177.004 176.870 -0.034 0.000 1.107 151 L CA -0.841 53.980 54.840 -0.032 0.000 0.806 151 L CB 0.667 42.732 42.059 0.010 0.000 1.146 151 L HN 0.833 nan 8.230 nan 0.000 0.447 152 D N 0.384 120.783 120.400 -0.001 0.000 2.478 152 D HA 0.034 4.674 4.640 -0.001 0.000 0.274 152 D C 0.560 176.867 176.300 0.012 0.000 1.234 152 D CA -0.449 53.550 54.000 -0.002 0.000 1.069 152 D CB 0.447 41.255 40.800 0.013 0.000 1.113 152 D HN 0.490 nan 8.370 nan 0.000 0.571 153 E N -1.484 118.714 120.200 -0.003 0.000 2.409 153 E HA -0.142 4.207 4.350 -0.001 0.000 0.198 153 E C 0.639 177.233 176.600 -0.009 0.000 1.024 153 E CA 0.761 57.158 56.400 -0.004 0.000 0.861 153 E CB -0.005 29.680 29.700 -0.024 0.000 0.788 153 E HN 0.317 nan 8.360 nan 0.000 0.521 154 Q N 0.073 119.861 119.800 -0.019 0.000 2.189 154 Q HA 0.108 4.447 4.340 -0.001 0.000 0.221 154 Q C -0.942 175.114 176.000 0.094 0.000 0.848 154 Q CA -0.020 55.769 55.803 -0.023 0.000 1.007 154 Q CB 0.466 29.123 28.738 -0.136 0.000 1.116 154 Q HN 0.118 nan 8.270 nan 0.000 0.481 155 E N -0.514 119.760 120.200 0.124 0.000 2.269 155 E HA -0.206 4.143 4.350 -0.001 0.000 0.223 155 E C -0.641 176.056 176.600 0.162 0.000 1.244 155 E CA 0.563 57.077 56.400 0.190 0.000 0.713 155 E CB -1.374 28.501 29.700 0.292 0.000 1.178 155 E HN 0.240 nan 8.360 nan 0.000 0.370 156 S N -0.693 115.079 115.700 0.119 0.000 2.811 156 S HA 0.574 5.043 4.470 -0.001 0.000 0.311 156 S C -0.445 174.245 174.600 0.150 0.000 1.152 156 S CA -0.933 57.346 58.200 0.132 0.000 0.864 156 S CB 0.800 64.065 63.200 0.108 0.000 1.226 156 S HN 0.301 nan 8.310 nan 0.000 0.541 157 F N 3.083 123.050 119.950 0.028 0.000 2.571 157 F HA 0.087 4.613 4.527 -0.002 0.000 0.384 157 F C 0.488 176.312 175.800 0.040 0.000 1.058 157 F CA 0.076 58.090 58.000 0.023 0.000 1.200 157 F CB 0.270 39.256 39.000 -0.023 0.000 1.077 157 F HN 0.389 nan 8.300 nan 0.000 0.558 158 D N 6.956 127.176 120.400 -0.300 0.000 2.453 158 D HA 0.013 4.652 4.640 -0.001 0.000 0.223 158 D C 0.995 177.237 176.300 -0.098 0.000 1.183 158 D CA -0.146 53.785 54.000 -0.115 0.000 0.933 158 D CB 0.573 41.328 40.800 -0.076 0.000 1.038 158 D HN 0.666 nan 8.370 nan 0.000 0.513 159 L N 4.135 125.470 121.223 0.187 0.000 2.083 159 L HA -0.130 4.209 4.340 -0.001 0.000 0.209 159 L C 1.817 178.844 176.870 0.261 0.000 1.083 159 L CA 1.714 56.768 54.840 0.356 0.000 0.752 159 L CB -0.100 42.154 42.059 0.324 0.000 0.899 159 L HN 0.273 nan 8.230 nan 0.000 0.433 160 E N -1.075 119.219 120.200 0.157 0.000 2.072 160 E HA -0.253 4.096 4.350 -0.001 0.000 0.191 160 E C 2.140 178.813 176.600 0.121 0.000 0.985 160 E CA 1.420 57.890 56.400 0.117 0.000 0.801 160 E CB -0.540 29.209 29.700 0.082 0.000 0.750 160 E HN 0.704 nan 8.360 nan 0.000 0.452 161 H N -0.808 118.266 119.070 0.008 0.000 2.389 161 H HA -0.126 4.429 4.556 -0.002 0.000 0.299 161 H C 2.075 177.408 175.328 0.007 0.000 1.081 161 H CA 1.129 57.165 56.048 -0.020 0.000 1.345 161 H CB -0.102 29.622 29.762 -0.063 0.000 1.393 161 H HN 0.123 nan 8.280 nan 0.000 0.520 162 F N 2.244 122.079 119.950 -0.192 0.000 2.126 162 F HA -0.174 4.352 4.527 -0.002 0.000 0.299 162 F C 2.239 177.973 175.800 -0.111 0.000 1.096 162 F CA 1.575 59.467 58.000 -0.180 0.000 1.255 162 F CB -0.270 38.754 39.000 0.039 0.000 0.997 162 F HN -0.009 nan 8.300 nan 0.000 0.479 163 K N -0.476 119.811 120.400 -0.188 0.000 2.147 163 K HA -0.159 4.160 4.320 -0.001 0.000 0.205 163 K C 2.044 178.488 176.600 -0.261 0.000 1.049 163 K CA 1.899 58.020 56.287 -0.276 0.000 0.936 163 K CB -0.602 31.860 32.500 -0.063 0.000 0.722 163 K HN 0.509 nan 8.250 nan 0.000 0.446 164 T N -0.824 113.614 114.554 -0.193 0.000 3.035 164 T HA 0.001 4.350 4.350 -0.001 0.000 0.268 164 T C 1.748 176.321 174.700 -0.211 0.000 1.109 164 T CA 0.610 62.618 62.100 -0.152 0.000 1.119 164 T CB -0.132 68.702 68.868 -0.057 0.000 0.900 164 T HN 0.078 nan 8.240 nan 0.000 0.503 165 L N -0.080 120.945 121.223 -0.329 0.000 2.270 165 L HA 0.354 4.693 4.340 -0.001 0.000 0.210 165 L C 1.034 177.740 176.870 -0.273 0.000 1.104 165 L CA 0.012 54.675 54.840 -0.295 0.000 0.804 165 L CB -0.371 41.492 42.059 -0.327 0.000 0.937 165 L HN 0.240 nan 8.230 nan 0.000 0.450 166 L N 0.714 121.714 121.223 -0.372 0.000 2.490 166 L HA 0.040 4.379 4.340 -0.001 0.000 0.274 166 L C 0.521 177.282 176.870 -0.180 0.000 1.201 166 L CA 0.272 54.927 54.840 -0.308 0.000 0.869 166 L CB 0.534 42.364 42.059 -0.383 0.000 1.123 166 L HN 0.267 nan 8.230 nan 0.000 0.484 167 S N 0.115 115.739 115.700 -0.127 0.000 2.688 167 S HA 0.453 4.922 4.470 -0.001 0.000 0.275 167 S C 0.452 175.018 174.600 -0.057 0.000 1.175 167 S CA -0.170 57.980 58.200 -0.083 0.000 0.818 167 S CB 1.482 64.640 63.200 -0.071 0.000 1.157 167 S HN 0.541 nan 8.310 nan 0.000 0.482 168 E N 0.130 120.306 120.200 -0.040 0.000 2.401 168 E HA -0.008 4.341 4.350 -0.001 0.000 0.199 168 E C 1.369 177.959 176.600 -0.017 0.000 1.023 168 E CA 1.425 57.811 56.400 -0.024 0.000 0.859 168 E CB -0.783 28.906 29.700 -0.019 0.000 0.780 168 E HN 0.660 nan 8.360 nan 0.000 0.523 169 K N -0.007 120.378 120.400 -0.024 0.000 2.367 169 K HA 0.074 4.393 4.320 -0.001 0.000 0.194 169 K C 0.373 176.965 176.600 -0.013 0.000 1.027 169 K CA 0.204 56.482 56.287 -0.016 0.000 1.075 169 K CB 0.535 33.023 32.500 -0.021 0.000 0.845 169 K HN 0.160 nan 8.250 nan 0.000 0.529 170 T N 2.617 117.156 114.554 -0.024 0.000 2.761 170 T HA 0.071 4.420 4.350 -0.001 0.000 0.287 170 T C 0.873 175.589 174.700 0.027 0.000 0.931 170 T CA 0.254 62.342 62.100 -0.019 0.000 1.164 170 T CB 0.628 69.466 68.868 -0.049 0.000 0.876 170 T HN -0.013 nan 8.240 nan 0.000 0.534 171 K N 1.727 122.162 120.400 0.057 0.000 2.399 171 K HA 0.295 4.614 4.320 -0.001 0.000 0.196 171 K C -0.004 176.727 176.600 0.218 0.000 1.103 171 K CA -0.006 56.369 56.287 0.146 0.000 0.986 171 K CB 0.486 33.076 32.500 0.150 0.000 0.952 171 K HN 0.435 nan 8.250 nan 0.000 0.541 172 L N 0.143 121.428 121.223 0.103 0.000 2.482 172 L HA 0.422 4.761 4.340 -0.001 0.000 0.263 172 L C -1.737 175.079 176.870 -0.091 0.000 0.957 172 L CA -0.733 54.118 54.840 0.018 0.000 0.836 172 L CB 2.396 44.451 42.059 -0.007 0.000 1.324 172 L HN -0.265 nan 8.230 nan 0.000 0.406 173 V N 3.238 123.093 119.914 -0.099 0.000 2.443 173 V HA 0.609 4.728 4.120 -0.001 0.000 0.293 173 V C -0.362 175.628 176.094 -0.174 0.000 1.021 173 V CA -0.368 61.880 62.300 -0.087 0.000 0.848 173 V CB 1.685 33.526 31.823 0.031 0.000 0.998 173 V HN 0.832 nan 8.190 nan 0.000 0.424 174 T N 5.221 119.624 114.554 -0.252 0.000 2.815 174 T HA 0.730 5.079 4.350 -0.001 0.000 0.289 174 T C -0.891 173.743 174.700 -0.110 0.000 1.000 174 T CA -0.336 61.620 62.100 -0.241 0.000 0.958 174 T CB 0.983 69.542 68.868 -0.515 0.000 0.944 174 T HN 0.839 nan 8.240 nan 0.000 0.442 175 V N 2.872 122.746 119.914 -0.066 0.000 3.007 175 V HA 0.832 4.951 4.120 -0.001 0.000 0.311 175 V C -0.121 175.971 176.094 -0.004 0.000 1.120 175 V CA -1.079 61.205 62.300 -0.026 0.000 0.980 175 V CB 1.401 33.157 31.823 -0.112 0.000 1.033 175 V HN 0.637 nan 8.190 nan 0.000 0.429 176 V N 2.623 122.565 119.914 0.046 0.000 2.686 176 V HA 0.261 4.380 4.120 -0.001 0.000 0.295 176 V C 1.265 177.381 176.094 0.036 0.000 1.055 176 V CA 0.770 63.105 62.300 0.059 0.000 1.050 176 V CB 0.733 32.611 31.823 0.092 0.000 0.984 176 V HN 1.110 nan 8.190 nan 0.000 0.482 177 H N 4.999 124.012 119.070 -0.095 0.000 2.294 177 H HA 0.246 4.801 4.556 -0.002 0.000 0.306 177 H C 0.379 175.601 175.328 -0.176 0.000 1.065 177 H CA 0.970 56.921 56.048 -0.162 0.000 1.343 177 H CB 0.385 30.051 29.762 -0.159 0.000 1.396 177 H HN 0.525 nan 8.280 nan 0.000 0.506 178 I N 1.184 121.691 120.570 -0.105 0.000 2.447 178 I HA 0.052 4.221 4.170 -0.001 0.000 0.287 178 I C -0.324 175.764 176.117 -0.049 0.000 1.023 178 I CA -0.580 60.619 61.300 -0.169 0.000 1.083 178 I CB 2.037 39.854 38.000 -0.305 0.000 1.245 178 I HN 0.110 nan 8.210 nan 0.000 0.434 179 S N 4.738 120.436 115.700 -0.003 0.000 2.549 179 S HA 0.032 4.501 4.470 -0.001 0.000 0.283 179 S C 1.336 175.961 174.600 0.041 0.000 1.320 179 S CA -0.464 57.767 58.200 0.051 0.000 1.058 179 S CB 0.382 63.633 63.200 0.086 0.000 0.882 179 S HN 0.760 nan 8.310 nan 0.000 0.498 180 N N 3.759 122.501 118.700 0.070 0.000 2.515 180 N HA -0.034 4.705 4.740 -0.001 0.000 0.185 180 N C 0.844 176.379 175.510 0.042 0.000 1.109 180 N CA 0.612 53.693 53.050 0.051 0.000 0.903 180 N CB -0.195 38.353 38.487 0.100 0.000 0.969 180 N HN 0.529 nan 8.380 nan 0.000 0.450 181 T N 0.489 115.099 114.554 0.093 0.000 3.114 181 T HA 0.309 4.658 4.350 -0.001 0.000 0.240 181 T C 1.886 176.659 174.700 0.122 0.000 0.983 181 T CA -0.081 62.092 62.100 0.121 0.000 1.151 181 T CB 0.163 69.151 68.868 0.200 0.000 0.974 181 T HN -0.010 nan 8.240 nan 0.000 0.442 182 L N 0.826 122.126 121.223 0.129 0.000 2.240 182 L HA 0.228 4.567 4.340 -0.001 0.000 0.211 182 L C 2.161 179.112 176.870 0.136 0.000 1.106 182 L CA 0.892 55.827 54.840 0.158 0.000 0.793 182 L CB -0.612 41.545 42.059 0.164 0.000 0.927 182 L HN 0.596 nan 8.230 nan 0.000 0.446 183 G N -0.015 108.832 108.800 0.079 0.000 2.184 183 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.264 183 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.264 183 G C 0.507 175.394 174.900 -0.021 0.000 0.975 183 G CA 0.182 45.297 45.100 0.024 0.000 0.642 183 G HN 0.490 nan 8.290 nan 0.000 0.536 184 C N -0.063 119.244 119.300 0.012 0.000 2.652 184 C HA 0.701 5.160 4.460 -0.001 0.000 0.412 184 C C 0.988 175.949 174.990 -0.049 0.000 1.294 184 C CA -1.105 57.911 59.018 -0.003 0.000 2.127 184 C CB 0.985 28.761 27.740 0.060 0.000 2.691 184 C HN 0.608 nan 8.230 nan 0.000 0.615 185 V N 4.946 124.813 119.914 -0.079 0.000 2.348 185 V HA 0.248 4.367 4.120 -0.001 0.000 0.270 185 V C 0.045 176.085 176.094 -0.090 0.000 1.037 185 V CA 0.016 62.223 62.300 -0.155 0.000 0.872 185 V CB 0.161 31.865 31.823 -0.198 0.000 1.002 185 V HN 0.857 nan 8.190 nan 0.000 0.464 186 N N 6.975 125.617 118.700 -0.098 0.000 2.530 186 N HA 0.257 4.996 4.740 -0.001 0.000 0.273 186 N C -2.153 173.205 175.510 -0.253 0.000 1.173 186 N CA -1.670 51.247 53.050 -0.222 0.000 0.967 186 N CB 0.936 39.210 38.487 -0.355 0.000 1.109 186 N HN 0.395 nan 8.380 nan 0.000 0.453 187 P HA 0.077 nan 4.420 nan 0.000 0.241 187 P C 0.195 177.287 177.300 -0.347 0.000 1.760 187 P CA -0.072 62.873 63.100 -0.259 0.000 1.081 187 P CB -0.242 31.342 31.700 -0.192 0.000 1.975 188 A N 2.750 125.376 122.820 -0.323 0.000 1.892 188 A HA -0.237 4.082 4.320 -0.001 0.000 0.218 188 A C 2.289 179.702 177.584 -0.284 0.000 1.188 188 A CA 1.806 53.619 52.037 -0.374 0.000 0.631 188 A CB -1.048 17.648 19.000 -0.506 0.000 0.822 188 A HN 0.423 nan 8.150 nan 0.000 0.447 189 E N -0.542 119.537 120.200 -0.201 0.000 2.051 189 E HA -0.263 4.086 4.350 -0.001 0.000 0.192 189 E C 2.054 178.581 176.600 -0.122 0.000 0.991 189 E CA 1.488 57.805 56.400 -0.138 0.000 0.799 189 E CB -0.170 29.481 29.700 -0.082 0.000 0.748 189 E HN 0.768 nan 8.360 nan 0.000 0.449 190 E N 0.144 120.274 120.200 -0.116 0.000 2.107 190 E HA -0.148 4.201 4.350 -0.001 0.000 0.191 190 E C 2.146 178.699 176.600 -0.079 0.000 0.982 190 E CA 0.879 57.237 56.400 -0.070 0.000 0.809 190 E CB -0.046 29.631 29.700 -0.038 0.000 0.756 190 E HN 0.347 nan 8.360 nan 0.000 0.459 191 I N 0.934 121.378 120.570 -0.210 0.000 2.226 191 I HA -0.273 3.896 4.170 -0.001 0.000 0.245 191 I C 2.531 178.546 176.117 -0.170 0.000 1.100 191 I CA 1.073 62.200 61.300 -0.289 0.000 1.374 191 I CB -0.319 37.299 38.000 -0.636 0.000 1.057 191 I HN 0.199 nan 8.210 nan 0.000 0.413 192 A N -0.012 122.656 122.820 -0.253 0.000 1.902 192 A HA -0.256 4.063 4.320 -0.001 0.000 0.217 192 A C 2.327 179.683 177.584 -0.380 0.000 1.181 192 A CA 1.527 53.325 52.037 -0.399 0.000 0.623 192 A CB -0.649 18.144 19.000 -0.345 0.000 0.818 192 A HN 0.437 nan 8.150 nan 0.000 0.443 193 Q N 0.075 119.793 119.800 -0.136 0.000 2.061 193 Q HA -0.156 4.183 4.340 -0.001 0.000 0.204 193 Q C 2.057 178.068 176.000 0.018 0.000 0.984 193 Q CA 1.863 57.658 55.803 -0.014 0.000 0.846 193 Q CB -0.338 28.403 28.738 0.006 0.000 0.902 193 Q HN 0.696 nan 8.270 nan 0.000 0.421 194 L N 0.100 121.349 121.223 0.043 0.000 2.056 194 L HA -0.129 4.210 4.340 -0.001 0.000 0.207 194 L C 2.658 179.565 176.870 0.062 0.000 1.078 194 L CA 1.052 55.945 54.840 0.088 0.000 0.749 194 L CB -0.686 41.503 42.059 0.218 0.000 0.901 194 L HN 0.170 nan 8.230 nan 0.000 0.433 195 A N -0.546 122.314 122.820 0.067 0.000 1.902 195 A HA -0.245 4.074 4.320 -0.001 0.000 0.217 195 A C 2.016 179.626 177.584 0.043 0.000 1.181 195 A CA 1.677 53.736 52.037 0.036 0.000 0.623 195 A CB -0.972 18.021 19.000 -0.012 0.000 0.818 195 A HN 0.487 nan 8.150 nan 0.000 0.443 196 H N -1.557 117.519 119.070 0.010 0.000 2.353 196 H HA -0.080 4.475 4.556 -0.002 0.000 0.300 196 H C 2.837 178.159 175.328 -0.009 0.000 1.090 196 H CA 1.426 57.465 56.048 -0.014 0.000 1.327 196 H CB 0.030 29.774 29.762 -0.031 0.000 1.383 196 H HN 0.665 nan 8.280 nan 0.000 0.508 197 Q N 1.025 120.897 119.800 0.120 0.000 2.226 197 Q HA 0.043 4.383 4.340 -0.001 0.000 0.204 197 Q C 2.235 178.256 176.000 0.034 0.000 0.975 197 Q CA 1.294 57.132 55.803 0.058 0.000 0.866 197 Q CB -0.654 28.106 28.738 0.037 0.000 0.915 197 Q HN 0.619 nan 8.270 nan 0.000 0.440 198 A N -1.137 121.700 122.820 0.030 0.000 2.218 198 A HA 0.479 4.798 4.320 -0.001 0.000 0.209 198 A C 1.999 179.598 177.584 0.026 0.000 1.168 198 A CA 1.141 53.181 52.037 0.005 0.000 0.804 198 A CB -0.322 18.659 19.000 -0.031 0.000 0.834 198 A HN 1.735 nan 8.150 nan 0.000 0.482 199 G N -2.107 106.726 108.800 0.056 0.000 2.136 199 G HA2 0.138 4.097 3.960 -0.001 0.000 0.242 199 G HA3 0.138 4.097 3.960 -0.001 0.000 0.242 199 G C 0.280 175.236 174.900 0.094 0.000 0.989 199 G CA 0.356 45.494 45.100 0.063 0.000 0.682 199 G HN 1.550 nan 8.290 nan 0.000 0.522 200 A N -0.557 122.329 122.820 0.110 0.000 2.299 200 A HA 0.860 5.179 4.320 -0.001 0.000 0.332 200 A C 0.306 177.977 177.584 0.145 0.000 1.131 200 A CA -0.583 51.528 52.037 0.123 0.000 0.844 200 A CB 1.176 20.222 19.000 0.077 0.000 1.251 200 A HN 0.147 nan 8.150 nan 0.000 0.486 201 K N -0.107 120.347 120.400 0.091 0.000 2.090 201 K HA 0.648 4.967 4.320 -0.001 0.000 0.249 201 K C -0.993 175.585 176.600 -0.036 0.000 0.995 201 K CA -0.426 55.835 56.287 -0.044 0.000 0.914 201 K CB 1.641 33.958 32.500 -0.306 0.000 1.057 201 K HN 0.393 nan 8.250 nan 0.000 0.462 202 V N 2.149 122.016 119.914 -0.077 0.000 2.577 202 V HA 0.405 4.524 4.120 -0.001 0.000 0.303 202 V C -0.633 175.526 176.094 0.108 0.000 1.042 202 V CA -0.991 61.281 62.300 -0.047 0.000 0.872 202 V CB 1.919 33.628 31.823 -0.190 0.000 0.998 202 V HN 0.609 nan 8.190 nan 0.000 0.423 203 L N 5.180 126.485 121.223 0.136 0.000 2.329 203 L HA 0.828 5.167 4.340 -0.001 0.000 0.279 203 L C -1.077 175.826 176.870 0.055 0.000 1.014 203 L CA -0.444 54.524 54.840 0.213 0.000 0.814 203 L CB 1.861 43.999 42.059 0.132 0.000 1.257 203 L HN 0.488 nan 8.230 nan 0.000 0.424 204 V N 3.580 123.534 119.914 0.066 0.000 2.409 204 V HA 0.272 4.392 4.120 -0.001 0.000 0.291 204 V C -0.714 175.402 176.094 0.037 0.000 1.020 204 V CA -0.612 61.684 62.300 -0.007 0.000 0.848 204 V CB 1.628 33.392 31.823 -0.099 0.000 0.990 204 V HN 0.696 nan 8.190 nan 0.000 0.430 205 D N 4.608 125.031 120.400 0.038 0.000 2.393 205 D HA 0.376 5.015 4.640 -0.001 0.000 0.232 205 D C 0.539 176.865 176.300 0.045 0.000 1.192 205 D CA -0.227 53.797 54.000 0.040 0.000 0.882 205 D CB 1.586 42.419 40.800 0.056 0.000 1.038 205 D HN 0.622 nan 8.370 nan 0.000 0.499 206 A N 3.370 126.212 122.820 0.038 0.000 2.577 206 A HA 0.143 4.462 4.320 -0.001 0.000 0.280 206 A C 2.015 179.608 177.584 0.016 0.000 1.331 206 A CA -0.421 51.663 52.037 0.078 0.000 0.935 206 A CB -0.615 18.464 19.000 0.133 0.000 1.082 206 A HN 0.726 nan 8.150 nan 0.000 0.525 207 C N -0.674 118.603 119.300 -0.038 0.000 2.413 207 C HA -0.110 4.349 4.460 -0.001 0.000 0.277 207 C C 2.453 177.419 174.990 -0.040 0.000 1.265 207 C CA 1.060 60.030 59.018 -0.080 0.000 1.752 207 C CB -0.587 27.077 27.740 -0.127 0.000 1.998 207 C HN 0.655 nan 8.230 nan 0.000 0.489 208 Q N 0.330 120.126 119.800 -0.008 0.000 2.392 208 Q HA 0.030 4.369 4.340 -0.001 0.000 0.203 208 Q C 2.236 178.291 176.000 0.092 0.000 0.917 208 Q CA 1.136 56.964 55.803 0.040 0.000 0.939 208 Q CB -0.087 28.648 28.738 -0.005 0.000 1.063 208 Q HN 0.862 nan 8.270 nan 0.000 0.516 209 S N -0.703 115.004 115.700 0.012 0.000 2.468 209 S HA 0.168 4.637 4.470 -0.001 0.000 0.226 209 S C 2.110 176.803 174.600 0.154 0.000 1.051 209 S CA 0.451 58.639 58.200 -0.021 0.000 0.943 209 S CB -0.079 62.929 63.200 -0.320 0.000 0.810 209 S HN 0.211 nan 8.310 nan 0.000 0.509 210 A N 3.173 126.093 122.820 0.168 0.000 1.948 210 A HA 0.021 4.340 4.320 -0.001 0.000 0.220 210 A C -0.117 177.667 177.584 0.333 0.000 1.177 210 A CA 1.819 54.031 52.037 0.291 0.000 0.636 210 A CB -1.812 17.362 19.000 0.291 0.000 0.815 210 A HN 0.583 nan 8.150 nan 0.000 0.449 211 P HA 0.010 nan 4.420 nan 0.000 0.235 211 P C 0.696 177.993 177.300 -0.005 0.000 1.177 211 P CA 0.985 64.079 63.100 -0.009 0.000 0.785 211 P CB 0.087 31.507 31.700 -0.467 0.000 0.885 212 H N -4.338 114.922 119.070 0.316 0.000 3.255 212 H HA 0.236 4.791 4.556 -0.002 0.000 0.256 212 H C -0.264 175.255 175.328 0.319 0.000 1.049 212 H CA 0.013 56.278 56.048 0.361 0.000 1.202 212 H CB 0.644 30.558 29.762 0.253 0.000 1.497 212 H HN 0.111 nan 8.280 nan 0.000 0.503 213 Y N 2.313 122.704 120.300 0.151 0.000 2.391 213 Y HA 0.372 4.922 4.550 -0.001 0.000 0.341 213 Y C -2.693 173.153 175.900 -0.090 0.000 0.965 213 Y CA -2.706 55.358 58.100 -0.059 0.000 1.067 213 Y CB 1.856 40.215 38.460 -0.169 0.000 1.199 213 Y HN -0.174 nan 8.280 nan 0.000 0.450 214 P HA 0.079 nan 4.420 nan 0.000 0.261 214 P C -1.072 176.174 177.300 -0.090 0.000 1.183 214 P CA 0.716 63.676 63.100 -0.233 0.000 0.761 214 P CB 0.348 31.864 31.700 -0.306 0.000 0.785 215 L N 3.729 124.866 121.223 -0.143 0.000 2.329 215 L HA 0.493 4.832 4.340 -0.001 0.000 0.279 215 L C 0.237 177.030 176.870 -0.129 0.000 1.014 215 L CA -0.309 54.502 54.840 -0.049 0.000 0.814 215 L CB 1.677 43.723 42.059 -0.021 0.000 1.257 215 L HN 0.272 nan 8.230 nan 0.000 0.424 216 D N 1.890 122.234 120.400 -0.093 0.000 2.346 216 D HA 0.135 4.774 4.640 -0.001 0.000 0.255 216 D C 0.616 176.830 176.300 -0.143 0.000 1.276 216 D CA -0.392 53.533 54.000 -0.124 0.000 0.941 216 D CB 1.872 42.615 40.800 -0.095 0.000 1.199 216 D HN 0.293 nan 8.370 nan 0.000 0.537 217 V N 1.623 121.400 119.914 -0.228 0.000 2.913 217 V HA -0.160 3.959 4.120 -0.001 0.000 0.260 217 V C 1.663 177.659 176.094 -0.164 0.000 1.098 217 V CA 1.258 63.387 62.300 -0.284 0.000 1.121 217 V CB -0.503 30.879 31.823 -0.734 0.000 0.714 217 V HN 0.398 nan 8.190 nan 0.000 0.487 218 Q N -0.283 119.440 119.800 -0.128 0.000 2.163 218 Q HA 0.047 4.386 4.340 -0.001 0.000 0.198 218 Q C 2.146 178.115 176.000 -0.051 0.000 0.954 218 Q CA 1.477 57.241 55.803 -0.064 0.000 0.851 218 Q CB -0.105 28.600 28.738 -0.055 0.000 0.928 218 Q HN 0.635 nan 8.270 nan 0.000 0.459 219 L N 0.554 121.738 121.223 -0.063 0.000 2.044 219 L HA -0.076 4.263 4.340 -0.001 0.000 0.205 219 L C 1.905 178.743 176.870 -0.053 0.000 1.075 219 L CA 1.532 56.342 54.840 -0.050 0.000 0.747 219 L CB -0.186 41.842 42.059 -0.051 0.000 0.903 219 L HN 0.138 nan 8.230 nan 0.000 0.435 220 I N -0.468 120.057 120.570 -0.076 0.000 2.394 220 I HA -0.194 3.975 4.170 -0.001 0.000 0.251 220 I C 0.779 176.852 176.117 -0.074 0.000 1.136 220 I CA 1.218 62.456 61.300 -0.103 0.000 1.425 220 I CB -0.312 37.593 38.000 -0.159 0.000 1.079 220 I HN 0.394 nan 8.210 nan 0.000 0.425 221 D N 0.786 121.165 120.400 -0.035 0.000 2.800 221 D HA -0.179 4.460 4.640 -0.001 0.000 0.232 221 D C 0.171 176.512 176.300 0.067 0.000 1.137 221 D CA 0.492 54.511 54.000 0.031 0.000 0.718 221 D CB -1.099 39.742 40.800 0.068 0.000 1.084 221 D HN 0.522 nan 8.370 nan 0.000 0.432 222 C N -1.564 117.745 119.300 0.016 0.000 2.604 222 C HA 0.476 4.935 4.460 -0.001 0.000 0.396 222 C C 1.821 176.825 174.990 0.023 0.000 1.282 222 C CA -0.593 58.427 59.018 0.004 0.000 2.292 222 C CB 1.241 28.980 27.740 -0.002 0.000 2.633 222 C HN 0.260 nan 8.230 nan 0.000 0.620 223 D N -0.019 120.285 120.400 -0.161 0.000 2.213 223 D HA 0.052 4.691 4.640 -0.001 0.000 0.205 223 D C 0.325 176.174 176.300 -0.753 0.000 0.961 223 D CA 1.349 54.993 54.000 -0.594 0.000 0.853 223 D CB 0.280 40.439 40.800 -1.068 0.000 0.967 223 D HN 0.719 nan 8.370 nan 0.000 0.496 224 W N 0.309 121.561 121.300 -0.079 0.000 3.107 224 W HA 0.577 5.236 4.660 -0.001 0.000 0.331 224 W C -0.765 175.812 176.519 0.096 0.000 1.204 224 W CA -0.732 56.573 57.345 -0.067 0.000 1.184 224 W CB 1.400 30.780 29.460 -0.133 0.000 1.421 224 W HN -0.312 nan 8.180 nan 0.000 0.544 225 L N 2.763 124.250 121.223 0.439 0.000 2.472 225 L HA 0.728 5.067 4.340 -0.001 0.000 0.260 225 L C -1.114 175.877 176.870 0.201 0.000 0.963 225 L CA -0.705 54.309 54.840 0.291 0.000 0.829 225 L CB 1.950 44.184 42.059 0.290 0.000 1.348 225 L HN 0.242 nan 8.230 nan 0.000 0.408 226 V N 1.394 121.340 119.914 0.052 0.000 2.914 226 V HA 1.083 5.202 4.120 -0.001 0.000 0.314 226 V C -0.605 175.339 176.094 -0.251 0.000 1.084 226 V CA 0.102 62.340 62.300 -0.104 0.000 0.963 226 V CB 1.455 33.237 31.823 -0.069 0.000 1.025 226 V HN 1.152 nan 8.190 nan 0.000 0.432 227 A N 1.880 124.385 122.820 -0.526 0.000 2.612 227 A HA 0.858 5.177 4.320 -0.001 0.000 0.293 227 A C -0.617 176.701 177.584 -0.442 0.000 1.075 227 A CA -0.488 51.247 52.037 -0.504 0.000 0.680 227 A CB 1.743 20.364 19.000 -0.631 0.000 1.279 227 A HN 1.093 nan 8.150 nan 0.000 0.411 228 S N -0.113 115.428 115.700 -0.265 0.000 2.454 228 S HA 0.507 4.976 4.470 -0.001 0.000 0.306 228 S C 1.309 175.823 174.600 -0.143 0.000 1.100 228 S CA 0.117 58.208 58.200 -0.182 0.000 1.087 228 S CB 1.593 64.648 63.200 -0.240 0.000 1.019 228 S HN 1.345 nan 8.310 nan 0.000 0.480 229 G N 1.590 110.393 108.800 0.005 0.000 2.422 229 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.218 229 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.218 229 G C 1.056 175.988 174.900 0.054 0.000 1.140 229 G CA 1.106 46.246 45.100 0.066 0.000 0.775 229 G HN 0.953 nan 8.290 nan 0.000 0.545 230 H N -0.214 118.893 119.070 0.061 0.000 2.518 230 H HA 0.187 4.742 4.556 -0.001 0.000 0.289 230 H C 2.018 177.391 175.328 0.076 0.000 1.051 230 H CA 1.334 57.422 56.048 0.068 0.000 1.280 230 H CB -0.042 29.756 29.762 0.060 0.000 1.380 230 H HN 0.331 nan 8.280 nan 0.000 0.566 231 K N 0.484 120.681 120.400 -0.339 0.000 2.393 231 K HA 0.137 4.456 4.320 -0.001 0.000 0.193 231 K C 0.601 177.139 176.600 -0.102 0.000 1.026 231 K CA 0.619 56.773 56.287 -0.221 0.000 1.064 231 K CB 0.368 32.669 32.500 -0.331 0.000 0.833 231 K HN 0.547 nan 8.250 nan 0.000 0.521 232 M N -1.589 118.022 119.600 0.017 0.000 3.036 232 M HA 0.312 4.791 4.480 -0.001 0.000 0.323 232 M C -0.468 175.977 176.300 0.243 0.000 1.248 232 M CA -0.557 54.839 55.300 0.158 0.000 0.819 232 M CB 0.171 32.840 32.600 0.115 0.000 1.361 232 M HN -0.042 nan 8.290 nan 0.000 0.510 233 C N 0.104 119.585 119.300 0.301 0.000 4.400 233 C HA -0.128 4.331 4.460 -0.001 0.000 0.275 233 C C 1.282 176.358 174.990 0.142 0.000 1.391 233 C CA 0.679 59.861 59.018 0.274 0.000 1.816 233 C CB -2.883 25.049 27.740 0.321 0.000 1.404 233 C HN 0.913 nan 8.230 nan 0.000 0.754 234 A N 0.962 123.856 122.820 0.122 0.000 2.288 234 A HA 0.874 5.193 4.320 -0.001 0.000 0.328 234 A C -2.010 175.635 177.584 0.102 0.000 1.123 234 A CA -1.285 50.802 52.037 0.082 0.000 0.861 234 A CB 0.770 19.809 19.000 0.066 0.000 1.272 234 A HN 0.247 nan 8.150 nan 0.000 0.490 235 P HA 0.180 nan 4.420 nan 0.000 0.272 235 P C 0.109 177.480 177.300 0.118 0.000 1.240 235 P CA 0.157 63.309 63.100 0.087 0.000 0.791 235 P CB 0.157 31.896 31.700 0.066 0.000 0.978 236 T N -3.677 110.938 114.554 0.102 0.000 2.813 236 T HA 0.429 4.778 4.350 -0.001 0.000 0.297 236 T C 1.243 175.992 174.700 0.082 0.000 1.036 236 T CA 0.362 62.516 62.100 0.090 0.000 1.044 236 T CB -0.033 68.838 68.868 0.005 0.000 0.993 236 T HN 0.830 nan 8.240 nan 0.000 0.535 237 G N -0.722 108.130 108.800 0.085 0.000 2.175 237 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.244 237 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.244 237 G C 0.029 174.986 174.900 0.095 0.000 0.982 237 G CA -0.018 45.131 45.100 0.082 0.000 0.641 237 G HN 1.346 nan 8.290 nan 0.000 0.527 238 I N 0.084 120.720 120.570 0.111 0.000 2.656 238 I HA 0.920 5.089 4.170 -0.001 0.000 0.292 238 I C 0.362 176.567 176.117 0.147 0.000 1.144 238 I CA 0.555 61.922 61.300 0.111 0.000 1.038 238 I CB 1.626 39.658 38.000 0.054 0.000 1.244 238 I HN 1.483 nan 8.210 nan 0.000 0.420 239 G N 4.638 113.547 108.800 0.182 0.000 2.682 239 G HA2 0.867 4.827 3.960 -0.001 0.000 0.303 239 G HA3 0.867 4.827 3.960 -0.001 0.000 0.303 239 G C -1.417 173.670 174.900 0.312 0.000 1.341 239 G CA -0.041 45.152 45.100 0.155 0.000 0.784 239 G HN 1.570 nan 8.290 nan 0.000 0.497 240 F N -1.837 118.200 119.950 0.146 0.000 2.693 240 F HA 0.826 5.352 4.527 -0.002 0.000 0.309 240 F C -1.849 174.021 175.800 0.117 0.000 1.129 240 F CA -1.498 56.600 58.000 0.162 0.000 0.948 240 F CB 1.758 40.881 39.000 0.206 0.000 1.315 240 F HN 0.616 nan 8.300 nan 0.000 0.447 241 L N 3.081 124.502 121.223 0.330 0.000 2.346 241 L HA 0.632 4.971 4.340 -0.001 0.000 0.276 241 L C -1.712 175.366 176.870 0.346 0.000 1.006 241 L CA -0.822 54.147 54.840 0.216 0.000 0.817 241 L CB 1.660 43.750 42.059 0.052 0.000 1.272 241 L HN 0.771 nan 8.230 nan 0.000 0.421 242 Y N 3.985 124.440 120.300 0.259 0.000 2.360 242 Y HA 0.834 5.383 4.550 -0.002 0.000 0.337 242 Y C -0.253 175.741 175.900 0.157 0.000 1.039 242 Y CA -0.556 57.664 58.100 0.200 0.000 1.109 242 Y CB 1.911 40.500 38.460 0.215 0.000 1.201 242 Y HN 0.777 nan 8.280 nan 0.000 0.458 243 G N 5.365 113.618 108.800 -0.911 0.000 2.753 243 G HA2 0.300 4.259 3.960 -0.001 0.000 0.295 243 G HA3 0.300 4.259 3.960 -0.001 0.000 0.295 243 G C -1.745 172.622 174.900 -0.888 0.000 1.437 243 G CA -1.251 43.380 45.100 -0.782 0.000 1.094 243 G HN 0.636 nan 8.290 nan 0.000 0.540 244 K N 1.286 121.206 120.400 -0.799 0.000 2.511 244 K HA -0.037 4.282 4.320 -0.001 0.000 0.280 244 K C 1.277 177.717 176.600 -0.266 0.000 1.008 244 K CA 0.185 56.217 56.287 -0.425 0.000 1.050 244 K CB 1.611 33.910 32.500 -0.336 0.000 0.889 244 K HN 0.822 nan 8.250 nan 0.000 0.484 245 E N 3.372 123.484 120.200 -0.146 0.000 2.114 245 E HA -0.353 3.996 4.350 -0.001 0.000 0.199 245 E C 2.099 178.679 176.600 -0.034 0.000 1.008 245 E CA 2.242 58.603 56.400 -0.064 0.000 0.810 245 E CB 0.173 29.857 29.700 -0.026 0.000 0.739 245 E HN 0.715 nan 8.360 nan 0.000 0.456 246 E N 0.770 120.938 120.200 -0.053 0.000 2.118 246 E HA -0.177 4.173 4.350 -0.001 0.000 0.195 246 E C 1.886 178.483 176.600 -0.004 0.000 0.992 246 E CA 1.602 57.987 56.400 -0.026 0.000 0.804 246 E CB -0.752 28.920 29.700 -0.047 0.000 0.741 246 E HN 0.503 nan 8.360 nan 0.000 0.458 247 I N -0.141 120.391 120.570 -0.064 0.000 2.286 247 I HA -0.114 4.055 4.170 -0.001 0.000 0.245 247 I C 2.707 178.903 176.117 0.132 0.000 1.104 247 I CA 0.839 62.131 61.300 -0.013 0.000 1.397 247 I CB -0.146 37.696 38.000 -0.264 0.000 1.072 247 I HN 0.211 nan 8.210 nan 0.000 0.417 248 L N 0.431 121.711 121.223 0.095 0.000 2.141 248 L HA -0.189 4.150 4.340 -0.001 0.000 0.209 248 L C 2.538 179.611 176.870 0.339 0.000 1.094 248 L CA 1.069 56.055 54.840 0.245 0.000 0.763 248 L CB -0.492 41.672 42.059 0.175 0.000 0.908 248 L HN 0.226 nan 8.230 nan 0.000 0.437 249 E N 0.700 121.014 120.200 0.190 0.000 2.106 249 E HA -0.178 4.171 4.350 -0.001 0.000 0.192 249 E C 2.079 178.776 176.600 0.160 0.000 0.984 249 E CA 1.471 57.961 56.400 0.151 0.000 0.806 249 E CB -0.008 29.744 29.700 0.086 0.000 0.750 249 E HN 0.367 nan 8.360 nan 0.000 0.458 250 A N -0.068 122.858 122.820 0.177 0.000 2.021 250 A HA 0.137 4.456 4.320 -0.001 0.000 0.216 250 A C 1.088 178.815 177.584 0.239 0.000 1.163 250 A CA 0.160 52.304 52.037 0.177 0.000 0.676 250 A CB -0.313 18.787 19.000 0.167 0.000 0.818 250 A HN 0.248 nan 8.150 nan 0.000 0.453 251 M N 1.977 121.784 119.600 0.346 0.000 2.239 251 M HA 0.169 4.648 4.480 -0.001 0.000 0.348 251 M C -2.173 174.368 176.300 0.400 0.000 1.239 251 M CA -1.505 54.053 55.300 0.429 0.000 1.114 251 M CB 0.648 33.576 32.600 0.546 0.000 1.641 251 M HN 0.097 nan 8.290 nan 0.000 0.453 252 P HA 0.237 nan 4.420 nan 0.000 0.277 252 P C -2.734 174.752 177.300 0.310 0.000 1.240 252 P CA -1.354 61.892 63.100 0.243 0.000 0.798 252 P CB -0.254 31.569 31.700 0.205 0.000 0.979 253 P HA -0.053 nan 4.420 nan 0.000 0.268 253 P C 0.105 177.666 177.300 0.435 0.000 1.208 253 P CA 0.118 63.297 63.100 0.133 0.000 0.777 253 P CB 0.449 32.212 31.700 0.106 0.000 0.875 254 F N 2.272 122.416 119.950 0.322 0.000 2.414 254 F HA 0.329 4.855 4.527 -0.001 0.000 0.255 254 F C 0.729 176.742 175.800 0.355 0.000 1.032 254 F CA -0.667 57.514 58.000 0.301 0.000 1.049 254 F CB -0.790 38.337 39.000 0.211 0.000 1.140 254 F HN 0.116 nan 8.300 nan 0.000 0.643 255 F N 0.814 120.713 119.950 -0.084 0.000 2.418 255 F HA 0.442 4.968 4.527 -0.001 0.000 0.341 255 F C 0.861 176.592 175.800 -0.114 0.000 1.120 255 F CA -0.177 57.672 58.000 -0.251 0.000 1.232 255 F CB 0.512 39.365 39.000 -0.244 0.000 1.175 255 F HN 0.147 nan 8.300 nan 0.000 0.569 256 G N 0.797 109.586 108.800 -0.017 0.000 2.453 256 G HA2 0.653 4.612 3.960 -0.001 0.000 0.323 256 G HA3 0.653 4.612 3.960 -0.001 0.000 0.323 256 G C -0.557 174.236 174.900 -0.179 0.000 1.198 256 G CA -0.266 44.734 45.100 -0.166 0.000 0.959 256 G HN 1.020 nan 8.290 nan 0.000 0.482 257 G N -0.904 107.772 108.800 -0.207 0.000 2.350 257 G HA2 0.537 4.496 3.960 -0.001 0.000 0.276 257 G HA3 0.537 4.496 3.960 -0.001 0.000 0.276 257 G C 0.202 175.036 174.900 -0.110 0.000 1.313 257 G CA 0.132 45.140 45.100 -0.154 0.000 0.903 257 G HN 1.423 nan 8.290 nan 0.000 0.490 258 G N -1.302 107.452 108.800 -0.076 0.000 2.614 258 G HA2 0.483 4.442 3.960 -0.001 0.000 0.239 258 G HA3 0.483 4.442 3.960 -0.001 0.000 0.239 258 G C 0.810 175.698 174.900 -0.020 0.000 1.240 258 G CA 1.454 46.522 45.100 -0.054 0.000 0.842 258 G HN 1.490 nan 8.290 nan 0.000 0.584 259 E N -1.029 119.162 120.200 -0.015 0.000 4.924 259 E HA -0.358 3.991 4.350 -0.001 0.000 0.229 259 E C 1.693 178.323 176.600 0.049 0.000 0.912 259 E CA 2.165 58.574 56.400 0.016 0.000 1.857 259 E CB -1.418 28.308 29.700 0.044 0.000 1.787 259 E HN 0.769 nan 8.360 nan 0.000 0.427 260 M N 0.010 119.637 119.600 0.046 0.000 2.495 260 M HA 0.297 4.776 4.480 -0.001 0.000 0.237 260 M C 0.971 177.308 176.300 0.063 0.000 1.131 260 M CA 0.372 55.713 55.300 0.069 0.000 1.032 260 M CB -0.199 32.437 32.600 0.060 0.000 1.513 260 M HN 0.153 nan 8.290 nan 0.000 0.488 261 I N -1.953 118.641 120.570 0.040 0.000 2.918 261 I HA 0.896 5.065 4.170 -0.001 0.000 0.316 261 I C 0.888 177.039 176.117 0.056 0.000 1.001 261 I CA -0.326 61.024 61.300 0.083 0.000 1.142 261 I CB 0.968 38.997 38.000 0.050 0.000 1.356 261 I HN 0.010 nan 8.210 nan 0.000 0.524 262 A N 0.905 123.770 122.820 0.075 0.000 1.970 262 A HA 0.443 4.762 4.320 -0.001 0.000 0.204 262 A C 0.632 178.216 177.584 -0.001 0.000 1.325 262 A CA 0.401 52.462 52.037 0.040 0.000 0.767 262 A CB -0.141 18.899 19.000 0.067 0.000 0.949 262 A HN 0.797 nan 8.150 nan 0.000 0.481 263 E N -0.823 119.382 120.200 0.009 0.000 2.356 263 E HA 0.563 4.912 4.350 -0.001 0.000 0.275 263 E C -1.990 174.509 176.600 -0.169 0.000 0.904 263 E CA -0.629 55.690 56.400 -0.135 0.000 0.757 263 E CB 2.676 32.313 29.700 -0.105 0.000 1.232 263 E HN 0.034 nan 8.360 nan 0.000 0.442 264 V N 2.833 122.495 119.914 -0.419 0.000 2.638 264 V HA 0.518 4.637 4.120 -0.001 0.000 0.306 264 V C -1.096 174.603 176.094 -0.659 0.000 1.052 264 V CA -0.661 61.443 62.300 -0.326 0.000 0.885 264 V CB 0.928 32.624 31.823 -0.213 0.000 0.999 264 V HN 0.526 nan 8.190 nan 0.000 0.424 265 F N 1.905 121.680 119.950 -0.292 0.000 2.639 265 F HA 0.572 5.098 4.527 -0.002 0.000 0.339 265 F C 0.876 176.541 175.800 -0.226 0.000 1.071 265 F CA -0.762 57.057 58.000 -0.302 0.000 0.994 265 F CB 1.222 40.056 39.000 -0.277 0.000 1.341 265 F HN 0.353 nan 8.300 nan 0.000 0.498 266 F N 0.562 120.625 119.950 0.188 0.000 2.216 266 F HA -0.164 4.362 4.527 -0.002 0.000 0.300 266 F C 2.049 177.936 175.800 0.145 0.000 1.085 266 F CA 1.183 59.258 58.000 0.125 0.000 1.326 266 F CB -0.087 38.973 39.000 0.100 0.000 1.027 266 F HN 0.464 nan 8.300 nan 0.000 0.497 267 D N -1.233 119.382 120.400 0.358 0.000 2.379 267 D HA 0.053 4.692 4.640 -0.001 0.000 0.208 267 D C 0.061 176.570 176.300 0.349 0.000 1.065 267 D CA 0.432 54.614 54.000 0.303 0.000 0.848 267 D CB -0.636 40.319 40.800 0.259 0.000 0.949 267 D HN 0.527 nan 8.370 nan 0.000 0.509 268 H N -2.404 116.801 119.070 0.224 0.000 2.894 268 H HA 0.497 5.052 4.556 -0.001 0.000 0.282 268 H C -1.596 173.932 175.328 0.333 0.000 1.448 268 H CA -1.432 54.732 56.048 0.193 0.000 1.158 268 H CB 0.215 29.991 29.762 0.023 0.000 1.818 268 H HN -0.083 nan 8.280 nan 0.000 0.493 269 F N -0.714 119.288 119.950 0.086 0.000 2.629 269 F HA 0.825 5.351 4.527 -0.001 0.000 0.316 269 F C -1.022 174.873 175.800 0.157 0.000 1.081 269 F CA -0.525 57.492 58.000 0.029 0.000 0.954 269 F CB 1.859 40.865 39.000 0.010 0.000 1.337 269 F HN 0.858 nan 8.300 nan 0.000 0.474 270 T N -1.174 113.496 114.554 0.194 0.000 2.885 270 T HA 0.644 4.993 4.350 -0.001 0.000 0.285 270 T C -0.312 174.522 174.700 0.223 0.000 1.019 270 T CA -0.433 61.733 62.100 0.110 0.000 1.010 270 T CB 1.308 70.269 68.868 0.155 0.000 1.022 270 T HN 1.009 nan 8.240 nan 0.000 0.466 271 T N 0.270 114.917 114.554 0.154 0.000 2.909 271 T HA 0.633 4.982 4.350 -0.001 0.000 0.289 271 T C 0.931 175.693 174.700 0.103 0.000 1.005 271 T CA -0.530 61.673 62.100 0.172 0.000 1.084 271 T CB 0.778 69.715 68.868 0.115 0.000 0.975 271 T HN 0.998 nan 8.240 nan 0.000 0.509 272 G N 1.393 110.250 108.800 0.095 0.000 2.616 272 G HA2 0.437 4.396 3.960 -0.001 0.000 0.268 272 G HA3 0.437 4.396 3.960 -0.001 0.000 0.268 272 G C -0.062 174.896 174.900 0.096 0.000 1.213 272 G CA -0.670 44.487 45.100 0.095 0.000 0.926 272 G HN 0.761 nan 8.290 nan 0.000 0.523 273 E N -0.805 119.476 120.200 0.135 0.000 2.369 273 E HA 0.186 4.535 4.350 -0.001 0.000 0.255 273 E C 0.590 177.259 176.600 0.115 0.000 1.172 273 E CA -0.379 56.093 56.400 0.120 0.000 0.932 273 E CB 0.964 30.743 29.700 0.131 0.000 1.040 273 E HN 0.241 nan 8.360 nan 0.000 0.454 274 L N 2.757 124.012 121.223 0.054 0.000 2.461 274 L HA 0.035 4.374 4.340 -0.001 0.000 0.272 274 L C -1.140 175.637 176.870 -0.156 0.000 1.197 274 L CA -0.912 53.929 54.840 0.002 0.000 0.836 274 L CB 0.168 42.254 42.059 0.045 0.000 1.105 274 L HN 0.342 nan 8.230 nan 0.000 0.477 275 P HA -0.016 nan 4.420 nan 0.000 0.261 275 P C 0.931 178.152 177.300 -0.131 0.000 1.268 275 P CA 0.565 63.558 63.100 -0.178 0.000 0.833 275 P CB 0.143 31.707 31.700 -0.227 0.000 1.231 276 H N 0.980 120.102 119.070 0.086 0.000 2.426 276 H HA -0.132 4.423 4.556 -0.002 0.000 0.298 276 H C 1.943 177.301 175.328 0.049 0.000 1.107 276 H CA 1.189 57.288 56.048 0.085 0.000 1.298 276 H CB -0.508 29.296 29.762 0.070 0.000 1.377 276 H HN 0.263 nan 8.280 nan 0.000 0.519 277 K N 0.767 121.196 120.400 0.048 0.000 2.160 277 K HA -0.161 4.159 4.320 -0.001 0.000 0.206 277 K C 0.901 177.332 176.600 -0.281 0.000 1.047 277 K CA 1.318 57.508 56.287 -0.161 0.000 0.930 277 K CB -0.112 32.162 32.500 -0.378 0.000 0.720 277 K HN 0.216 nan 8.250 nan 0.000 0.450 278 F N 0.788 120.808 119.950 0.117 0.000 2.664 278 F HA 0.202 4.728 4.527 -0.002 0.000 0.303 278 F C -0.212 175.652 175.800 0.107 0.000 1.092 278 F CA -0.299 57.771 58.000 0.117 0.000 1.305 278 F CB 0.708 39.763 39.000 0.092 0.000 1.054 278 F HN -0.140 nan 8.300 nan 0.000 0.565 279 E N 1.408 121.757 120.200 0.248 0.000 2.183 279 E HA 0.542 4.891 4.350 -0.001 0.000 0.250 279 E C -0.553 176.166 176.600 0.197 0.000 0.901 279 E CA -0.521 56.021 56.400 0.236 0.000 0.741 279 E CB 1.450 31.311 29.700 0.269 0.000 1.182 279 E HN 0.103 nan 8.360 nan 0.000 0.425 280 A N 2.780 125.720 122.820 0.199 0.000 2.301 280 A HA 0.789 5.108 4.320 -0.001 0.000 0.312 280 A C 0.689 178.348 177.584 0.124 0.000 1.182 280 A CA 0.327 52.455 52.037 0.151 0.000 0.826 280 A CB 0.690 19.795 19.000 0.175 0.000 1.134 280 A HN 0.722 nan 8.150 nan 0.000 0.501 281 G N 0.911 109.748 108.800 0.062 0.000 2.828 281 G HA2 -0.013 3.946 3.960 -0.001 0.000 0.463 281 G HA3 -0.013 3.946 3.960 -0.001 0.000 0.463 281 G C -0.035 174.891 174.900 0.043 0.000 1.394 281 G CA -0.367 44.755 45.100 0.036 0.000 0.862 281 G HN 1.379 nan 8.290 nan 0.000 0.540 282 T N 3.896 118.462 114.554 0.019 0.000 2.829 282 T HA 0.436 4.785 4.350 -0.001 0.000 0.293 282 T C -0.701 174.008 174.700 0.015 0.000 0.970 282 T CA 0.514 62.614 62.100 0.000 0.000 1.168 282 T CB 0.807 69.673 68.868 -0.002 0.000 0.911 282 T HN 0.725 nan 8.240 nan 0.000 0.535 283 P HA 0.361 nan 4.420 nan 0.000 0.277 283 P C -0.897 176.398 177.300 -0.008 0.000 1.276 283 P CA -0.754 62.364 63.100 0.029 0.000 0.788 283 P CB 0.665 32.392 31.700 0.045 0.000 1.114 284 A N 0.989 123.832 122.820 0.039 0.000 3.004 284 A HA 0.224 4.543 4.320 -0.001 0.000 0.286 284 A C 1.583 179.142 177.584 -0.043 0.000 1.632 284 A CA -0.516 51.531 52.037 0.017 0.000 1.339 284 A CB -1.614 17.412 19.000 0.043 0.000 1.136 284 A HN 0.439 nan 8.150 nan 0.000 0.577 285 I N 1.255 121.738 120.570 -0.145 0.000 2.069 285 I HA -0.358 3.811 4.170 -0.001 0.000 0.237 285 I C 2.921 178.804 176.117 -0.389 0.000 1.053 285 I CA 1.863 62.994 61.300 -0.282 0.000 1.311 285 I CB -0.424 37.349 38.000 -0.378 0.000 1.030 285 I HN 0.555 nan 8.210 nan 0.000 0.398 286 A N 0.394 122.855 122.820 -0.598 0.000 1.908 286 A HA -0.247 4.072 4.320 -0.001 0.000 0.218 286 A C 2.122 179.518 177.584 -0.313 0.000 1.181 286 A CA 2.097 53.685 52.037 -0.747 0.000 0.627 286 A CB -0.640 17.892 19.000 -0.781 0.000 0.818 286 A HN 0.440 nan 8.150 nan 0.000 0.445 287 E N 0.106 120.219 120.200 -0.145 0.000 2.110 287 E HA 0.001 4.351 4.350 -0.001 0.000 0.193 287 E C 2.160 178.694 176.600 -0.110 0.000 0.988 287 E CA 1.281 57.642 56.400 -0.065 0.000 0.804 287 E CB -0.519 29.180 29.700 -0.001 0.000 0.745 287 E HN 0.596 nan 8.360 nan 0.000 0.458 288 A N 0.563 123.285 122.820 -0.163 0.000 1.898 288 A HA -0.099 4.220 4.320 -0.001 0.000 0.216 288 A C 2.226 179.676 177.584 -0.224 0.000 1.181 288 A CA 0.984 52.848 52.037 -0.289 0.000 0.620 288 A CB -0.560 18.177 19.000 -0.438 0.000 0.819 288 A HN 0.196 nan 8.150 nan 0.000 0.442 289 I N -0.185 120.276 120.570 -0.180 0.000 2.286 289 I HA -0.272 3.898 4.170 -0.001 0.000 0.248 289 I C 2.892 178.945 176.117 -0.108 0.000 1.115 289 I CA 1.008 62.220 61.300 -0.146 0.000 1.392 289 I CB -0.256 37.631 38.000 -0.188 0.000 1.065 289 I HN 0.362 nan 8.210 nan 0.000 0.418 290 A N 0.631 123.388 122.820 -0.104 0.000 1.930 290 A HA -0.180 4.139 4.320 -0.001 0.000 0.217 290 A C 2.228 179.783 177.584 -0.049 0.000 1.175 290 A CA 1.219 53.222 52.037 -0.056 0.000 0.627 290 A CB -0.645 18.335 19.000 -0.032 0.000 0.815 290 A HN 0.390 nan 8.150 nan 0.000 0.443 291 L N 0.240 121.423 121.223 -0.066 0.000 2.083 291 L HA 0.002 4.341 4.340 -0.001 0.000 0.209 291 L C 2.268 179.091 176.870 -0.078 0.000 1.083 291 L CA 2.249 57.057 54.840 -0.054 0.000 0.752 291 L CB -1.035 40.991 42.059 -0.055 0.000 0.899 291 L HN 0.265 nan 8.230 nan 0.000 0.433 292 G N -0.965 107.781 108.800 -0.091 0.000 2.422 292 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.218 292 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.218 292 G C 1.585 176.454 174.900 -0.051 0.000 1.146 292 G CA 0.731 45.783 45.100 -0.080 0.000 0.769 292 G HN 0.633 nan 8.290 nan 0.000 0.547 293 A N 1.019 123.818 122.820 -0.035 0.000 1.930 293 A HA 0.354 4.673 4.320 -0.001 0.000 0.217 293 A C 2.777 180.377 177.584 0.025 0.000 1.175 293 A CA 2.011 54.045 52.037 -0.005 0.000 0.627 293 A CB -0.627 18.366 19.000 -0.013 0.000 0.815 293 A HN 0.695 nan 8.150 nan 0.000 0.443 294 A N -0.467 122.354 122.820 0.001 0.000 1.873 294 A HA 0.002 4.321 4.320 -0.001 0.000 0.215 294 A C 2.214 179.810 177.584 0.021 0.000 1.186 294 A CA 1.740 53.797 52.037 0.033 0.000 0.616 294 A CB -0.953 18.057 19.000 0.016 0.000 0.823 294 A HN 0.366 nan 8.150 nan 0.000 0.442 295 V N 0.788 120.637 119.914 -0.109 0.000 2.343 295 V HA -0.259 3.861 4.120 -0.001 0.000 0.247 295 V C 2.180 178.253 176.094 -0.035 0.000 1.051 295 V CA 2.355 64.512 62.300 -0.238 0.000 1.036 295 V CB -0.830 30.810 31.823 -0.305 0.000 0.654 295 V HN 0.508 nan 8.190 nan 0.000 0.451 296 D N -1.174 119.232 120.400 0.010 0.000 2.117 296 D HA -0.200 4.439 4.640 -0.001 0.000 0.197 296 D C 1.919 178.253 176.300 0.057 0.000 0.987 296 D CA 1.549 55.571 54.000 0.036 0.000 0.829 296 D CB -0.326 40.489 40.800 0.026 0.000 0.961 296 D HN 0.579 nan 8.370 nan 0.000 0.460 297 Y N 1.412 121.699 120.300 -0.021 0.000 2.128 297 Y HA -0.182 4.367 4.550 -0.001 0.000 0.284 297 Y C 2.256 178.144 175.900 -0.021 0.000 1.154 297 Y CA 1.424 59.513 58.100 -0.018 0.000 1.149 297 Y CB -0.345 38.116 38.460 0.001 0.000 0.976 297 Y HN -0.096 nan 8.280 nan 0.000 0.505 298 L N -1.060 120.264 121.223 0.169 0.000 2.046 298 L HA -0.237 4.102 4.340 -0.001 0.000 0.208 298 L C 2.340 179.236 176.870 0.045 0.000 1.077 298 L CA 1.844 56.747 54.840 0.104 0.000 0.747 298 L CB -0.971 41.241 42.059 0.256 0.000 0.896 298 L HN 0.189 nan 8.230 nan 0.000 0.432 299 T N -1.195 113.422 114.554 0.106 0.000 2.788 299 T HA -0.236 4.113 4.350 -0.001 0.000 0.268 299 T C 1.478 176.159 174.700 -0.030 0.000 1.044 299 T CA 1.761 63.913 62.100 0.087 0.000 1.139 299 T CB -0.287 68.654 68.868 0.121 0.000 0.867 299 T HN 0.420 nan 8.240 nan 0.000 0.454 300 D N 0.587 120.930 120.400 -0.096 0.000 2.117 300 D HA -0.042 4.597 4.640 -0.001 0.000 0.197 300 D C 2.000 178.180 176.300 -0.200 0.000 0.987 300 D CA 0.790 54.700 54.000 -0.150 0.000 0.829 300 D CB -0.181 40.500 40.800 -0.199 0.000 0.961 300 D HN 0.292 nan 8.370 nan 0.000 0.460 301 L N -0.476 120.575 121.223 -0.287 0.000 2.072 301 L HA 0.171 4.510 4.340 -0.001 0.000 0.205 301 L C 1.063 177.823 176.870 -0.182 0.000 1.079 301 L CA 0.647 55.305 54.840 -0.302 0.000 0.752 301 L CB -0.630 41.142 42.059 -0.478 0.000 0.906 301 L HN 0.319 nan 8.230 nan 0.000 0.436 302 G N -0.751 107.975 108.800 -0.123 0.000 3.434 302 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.686 302 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.686 302 G C 0.131 175.009 174.900 -0.036 0.000 1.099 302 G CA -0.510 44.551 45.100 -0.065 0.000 0.931 302 G HN -0.139 nan 8.290 nan 0.000 0.520 303 M N 1.745 121.342 119.600 -0.004 0.000 2.202 303 M HA -0.038 4.442 4.480 -0.001 0.000 0.262 303 M C 2.691 179.009 176.300 0.030 0.000 1.063 303 M CA 2.553 57.870 55.300 0.028 0.000 1.097 303 M CB -1.755 30.825 32.600 -0.034 0.000 1.382 303 M HN 1.171 nan 8.290 nan 0.000 0.413 304 E N 0.839 121.031 120.200 -0.013 0.000 2.106 304 E HA -0.152 4.197 4.350 -0.001 0.000 0.192 304 E C 1.711 178.347 176.600 0.061 0.000 0.984 304 E CA 1.451 57.858 56.400 0.011 0.000 0.806 304 E CB -0.938 28.745 29.700 -0.028 0.000 0.750 304 E HN 0.592 nan 8.360 nan 0.000 0.458 305 N N 0.068 118.784 118.700 0.025 0.000 2.216 305 N HA 0.008 4.747 4.740 -0.001 0.000 0.183 305 N C 2.005 177.564 175.510 0.081 0.000 1.017 305 N CA 1.231 54.296 53.050 0.025 0.000 0.861 305 N CB -0.105 38.362 38.487 -0.034 0.000 0.986 305 N HN 0.467 nan 8.380 nan 0.000 0.428 306 I N 0.555 121.176 120.570 0.084 0.000 2.179 306 I HA -0.297 3.872 4.170 -0.001 0.000 0.242 306 I C 2.434 178.727 176.117 0.293 0.000 1.088 306 I CA 1.236 62.646 61.300 0.184 0.000 1.357 306 I CB -0.277 37.829 38.000 0.177 0.000 1.051 306 I HN 0.165 nan 8.210 nan 0.000 0.409 307 H N 1.581 120.738 119.070 0.145 0.000 2.321 307 H HA -0.160 4.395 4.556 -0.002 0.000 0.300 307 H C 2.043 177.434 175.328 0.105 0.000 1.087 307 H CA 1.954 58.076 56.048 0.123 0.000 1.319 307 H CB -0.154 29.619 29.762 0.018 0.000 1.379 307 H HN 0.208 nan 8.280 nan 0.000 0.501 308 N N -0.358 118.342 118.700 -0.000 0.000 2.104 308 N HA -0.208 4.532 4.740 -0.001 0.000 0.190 308 N C 1.797 177.323 175.510 0.026 0.000 1.024 308 N CA 1.468 54.487 53.050 -0.050 0.000 0.853 308 N CB -0.791 37.713 38.487 0.030 0.000 1.008 308 N HN 0.444 nan 8.380 nan 0.000 0.424 309 Y N 2.077 122.371 120.300 -0.009 0.000 2.200 309 Y HA -0.081 4.468 4.550 -0.002 0.000 0.290 309 Y C 2.046 177.966 175.900 0.033 0.000 1.137 309 Y CA 1.422 59.536 58.100 0.022 0.000 1.163 309 Y CB -0.272 38.222 38.460 0.056 0.000 0.988 309 Y HN 0.127 nan 8.280 nan 0.000 0.518 310 E N -0.819 119.352 120.200 -0.048 0.000 2.153 310 E HA -0.168 4.181 4.350 -0.001 0.000 0.194 310 E C 2.267 178.772 176.600 -0.159 0.000 0.988 310 E CA 1.443 57.772 56.400 -0.118 0.000 0.811 310 E CB -0.215 29.531 29.700 0.076 0.000 0.746 310 E HN 0.341 nan 8.360 nan 0.000 0.466 311 V N 1.583 121.386 119.914 -0.185 0.000 2.343 311 V HA -0.271 3.848 4.120 -0.001 0.000 0.247 311 V C 2.400 178.485 176.094 -0.015 0.000 1.051 311 V CA 2.047 64.252 62.300 -0.158 0.000 1.036 311 V CB -0.471 31.232 31.823 -0.199 0.000 0.654 311 V HN 0.309 nan 8.190 nan 0.000 0.451 312 E N 0.188 120.369 120.200 -0.032 0.000 2.058 312 E HA -0.229 4.120 4.350 -0.001 0.000 0.194 312 E C 2.216 178.814 176.600 -0.003 0.000 0.997 312 E CA 1.544 57.955 56.400 0.018 0.000 0.801 312 E CB -0.158 29.527 29.700 -0.025 0.000 0.746 312 E HN 0.575 nan 8.360 nan 0.000 0.450 313 L N 0.439 121.557 121.223 -0.175 0.000 2.141 313 L HA -0.134 4.205 4.340 -0.001 0.000 0.209 313 L C 2.599 179.502 176.870 0.055 0.000 1.094 313 L CA 1.373 56.148 54.840 -0.108 0.000 0.763 313 L CB -0.465 41.432 42.059 -0.269 0.000 0.908 313 L HN 0.226 nan 8.230 nan 0.000 0.437 314 T N -1.998 112.556 114.554 -0.001 0.000 2.777 314 T HA -0.194 4.155 4.350 -0.001 0.000 0.266 314 T C 1.726 176.468 174.700 0.069 0.000 1.040 314 T CA 1.405 63.520 62.100 0.026 0.000 1.141 314 T CB -0.288 68.493 68.868 -0.145 0.000 0.868 314 T HN 0.412 nan 8.240 nan 0.000 0.444 315 H N -0.822 118.295 119.070 0.079 0.000 2.353 315 H HA -0.009 4.546 4.556 -0.001 0.000 0.300 315 H C 1.978 177.395 175.328 0.149 0.000 1.090 315 H CA 1.584 57.683 56.048 0.086 0.000 1.327 315 H CB -0.205 29.582 29.762 0.042 0.000 1.383 315 H HN 0.311 nan 8.280 nan 0.000 0.508 316 Y N 0.490 120.881 120.300 0.150 0.000 2.145 316 Y HA -0.226 4.323 4.550 -0.002 0.000 0.286 316 Y C 2.324 178.272 175.900 0.079 0.000 1.145 316 Y CA 1.195 59.349 58.100 0.090 0.000 1.148 316 Y CB -0.388 38.102 38.460 0.050 0.000 0.981 316 Y HN 0.194 nan 8.280 nan 0.000 0.507 317 L N -0.997 120.345 121.223 0.198 0.000 2.017 317 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 317 L C 1.819 178.671 176.870 -0.031 0.000 1.073 317 L CA 1.954 56.846 54.840 0.088 0.000 0.745 317 L CB -1.007 41.139 42.059 0.146 0.000 0.894 317 L HN 0.303 nan 8.230 nan 0.000 0.432 318 W N 0.057 121.306 121.300 -0.085 0.000 2.388 318 W HA -0.105 4.554 4.660 -0.002 0.000 0.294 318 W C 2.722 179.161 176.519 -0.133 0.000 1.212 318 W CA 1.350 58.626 57.345 -0.115 0.000 1.271 318 W CB -0.477 28.910 29.460 -0.122 0.000 1.126 318 W HN 0.246 nan 8.180 nan 0.000 0.535 319 Q N -0.641 119.200 119.800 0.069 0.000 2.084 319 Q HA -0.105 4.234 4.340 -0.001 0.000 0.202 319 Q C 2.546 178.457 176.000 -0.148 0.000 0.978 319 Q CA 1.644 57.427 55.803 -0.033 0.000 0.844 319 Q CB -0.917 27.792 28.738 -0.048 0.000 0.898 319 Q HN 0.372 nan 8.270 nan 0.000 0.426 320 G N 0.717 109.373 108.800 -0.239 0.000 2.421 320 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.216 320 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.216 320 G C 1.379 176.105 174.900 -0.289 0.000 1.171 320 G CA 0.521 45.448 45.100 -0.288 0.000 0.775 320 G HN 0.167 nan 8.290 nan 0.000 0.543 321 L N 0.740 121.761 121.223 -0.338 0.000 2.093 321 L HA 0.063 4.402 4.340 -0.001 0.000 0.208 321 L C 3.112 179.768 176.870 -0.357 0.000 1.085 321 L CA 0.838 55.409 54.840 -0.449 0.000 0.755 321 L CB -0.574 41.102 42.059 -0.638 0.000 0.904 321 L HN 0.322 nan 8.230 nan 0.000 0.435 322 G N -0.878 107.769 108.800 -0.256 0.000 2.498 322 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.219 322 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.219 322 G C 1.362 176.178 174.900 -0.140 0.000 1.119 322 G CA 0.196 45.199 45.100 -0.162 0.000 0.766 322 G HN 0.427 nan 8.290 nan 0.000 0.552 323 Q N -0.514 119.191 119.800 -0.157 0.000 2.280 323 Q HA 0.324 4.663 4.340 -0.001 0.000 0.202 323 Q C -0.074 175.840 176.000 -0.142 0.000 0.903 323 Q CA -0.156 55.569 55.803 -0.131 0.000 0.948 323 Q CB 0.516 29.181 28.738 -0.123 0.000 1.058 323 Q HN 0.408 nan 8.270 nan 0.000 0.493 324 I N 2.710 123.172 120.570 -0.179 0.000 2.371 324 I HA 0.131 4.300 4.170 -0.001 0.000 0.282 324 I C -1.466 174.565 176.117 -0.143 0.000 1.031 324 I CA -2.042 59.154 61.300 -0.174 0.000 1.180 324 I CB 1.426 39.279 38.000 -0.244 0.000 1.336 324 I HN -0.052 nan 8.210 nan 0.000 0.467 325 P HA -0.218 nan 4.420 nan 0.000 0.217 325 P C 0.910 178.169 177.300 -0.068 0.000 1.148 325 P CA 1.422 64.477 63.100 -0.075 0.000 0.828 325 P CB 0.347 32.015 31.700 -0.054 0.000 0.783 326 Q N -1.103 118.658 119.800 -0.065 0.000 2.436 326 Q HA 0.051 4.390 4.340 -0.001 0.000 0.209 326 Q C 0.517 176.487 176.000 -0.049 0.000 0.965 326 Q CA 0.495 56.273 55.803 -0.042 0.000 0.910 326 Q CB -0.572 28.155 28.738 -0.019 0.000 0.980 326 Q HN 0.238 nan 8.270 nan 0.000 0.491 327 L N 0.482 121.647 121.223 -0.096 0.000 2.375 327 L HA 0.347 4.686 4.340 -0.001 0.000 0.271 327 L C -0.025 176.760 176.870 -0.143 0.000 1.107 327 L CA -0.310 54.463 54.840 -0.112 0.000 0.806 327 L CB 1.028 42.941 42.059 -0.243 0.000 1.146 327 L HN -0.092 nan 8.230 nan 0.000 0.447 328 R N 2.848 123.248 120.500 -0.167 0.000 2.388 328 R HA 0.605 4.944 4.340 -0.001 0.000 0.314 328 R C -1.709 174.275 176.300 -0.528 0.000 0.959 328 R CA -0.245 55.671 56.100 -0.306 0.000 0.851 328 R CB 0.341 30.459 30.300 -0.303 0.000 1.168 328 R HN 0.579 nan 8.270 nan 0.000 0.472 329 L N 5.028 125.978 121.223 -0.456 0.000 2.334 329 L HA 0.468 4.807 4.340 -0.001 0.000 0.277 329 L C -0.607 175.999 176.870 -0.440 0.000 1.075 329 L CA -0.829 53.740 54.840 -0.452 0.000 0.804 329 L CB 0.853 42.655 42.059 -0.428 0.000 1.174 329 L HN 0.568 nan 8.230 nan 0.000 0.438 330 Y N 1.129 121.411 120.300 -0.031 0.000 2.387 330 Y HA 0.722 5.271 4.550 -0.001 0.000 0.336 330 Y C 0.811 176.804 175.900 0.155 0.000 1.067 330 Y CA -0.416 57.614 58.100 -0.116 0.000 1.114 330 Y CB 1.765 39.990 38.460 -0.392 0.000 1.208 330 Y HN 0.751 nan 8.280 nan 0.000 0.458 331 G N 2.589 111.567 108.800 0.296 0.000 2.710 331 G HA2 -0.108 3.852 3.960 -0.001 0.000 0.668 331 G HA3 -0.108 3.852 3.960 -0.001 0.000 0.668 331 G C -3.169 171.848 174.900 0.194 0.000 1.320 331 G CA -1.402 43.851 45.100 0.255 0.000 0.860 331 G HN 0.519 nan 8.290 nan 0.000 0.538 332 P HA 0.227 nan 4.420 nan 0.000 0.276 332 P C -0.032 177.008 177.300 -0.434 0.000 1.230 332 P CA -0.260 62.855 63.100 0.025 0.000 0.776 332 P CB 0.859 32.575 31.700 0.027 0.000 0.888 333 N N 3.921 122.329 118.700 -0.487 0.000 2.479 333 N HA 0.047 4.786 4.740 -0.001 0.000 0.257 333 N C -1.088 173.947 175.510 -0.791 0.000 1.232 333 N CA -1.473 51.009 53.050 -0.946 0.000 0.920 333 N CB 0.373 38.256 38.487 -1.006 0.000 1.105 333 N HN 0.284 nan 8.380 nan 0.000 0.444 334 P HA -0.142 nan 4.420 nan 0.000 0.225 334 P C -0.142 176.989 177.300 -0.281 0.000 1.148 334 P CA 1.405 64.122 63.100 -0.639 0.000 0.779 334 P CB 0.190 31.339 31.700 -0.917 0.000 0.780 335 K N -1.640 118.637 120.400 -0.205 0.000 2.404 335 K HA 0.029 4.348 4.320 -0.001 0.000 0.194 335 K C 1.519 178.131 176.600 0.019 0.000 1.023 335 K CA 0.041 56.319 56.287 -0.014 0.000 1.094 335 K CB -0.055 32.453 32.500 0.012 0.000 0.841 335 K HN 0.228 nan 8.250 nan 0.000 0.523 336 H N -0.408 118.620 119.070 -0.070 0.000 2.418 336 H HA 0.196 4.751 4.556 -0.002 0.000 0.300 336 H C 1.060 176.364 175.328 -0.040 0.000 1.041 336 H CA 0.919 56.937 56.048 -0.049 0.000 1.364 336 H CB 0.711 30.431 29.762 -0.070 0.000 1.439 336 H HN 0.244 nan 8.280 nan 0.000 0.540 337 G N -0.337 108.497 108.800 0.057 0.000 2.489 337 G HA2 0.155 4.114 3.960 -0.001 0.000 0.291 337 G HA3 0.155 4.114 3.960 -0.001 0.000 0.291 337 G C -1.642 173.236 174.900 -0.035 0.000 1.487 337 G CA -0.780 44.334 45.100 0.024 0.000 0.795 337 G HN 0.067 nan 8.290 nan 0.000 0.513 338 D N -0.190 120.215 120.400 0.009 0.000 2.525 338 D HA 0.416 5.055 4.640 -0.001 0.000 0.235 338 D C 0.835 177.116 176.300 -0.031 0.000 1.137 338 D CA 0.636 54.649 54.000 0.021 0.000 0.868 338 D CB 0.432 41.319 40.800 0.145 0.000 1.180 338 D HN 0.686 nan 8.370 nan 0.000 0.465 339 R N 1.559 122.010 120.500 -0.082 0.000 2.810 339 R HA 0.806 5.145 4.340 -0.001 0.000 0.266 339 R C -1.147 175.104 176.300 -0.083 0.000 1.061 339 R CA -1.240 54.787 56.100 -0.121 0.000 0.943 339 R CB 0.479 30.630 30.300 -0.249 0.000 1.237 339 R HN 0.308 nan 8.270 nan 0.000 0.459 340 A N 0.353 123.116 122.820 -0.095 0.000 2.386 340 A HA 0.554 4.873 4.320 -0.001 0.000 0.248 340 A C 0.354 177.886 177.584 -0.088 0.000 1.082 340 A CA -0.115 51.862 52.037 -0.100 0.000 0.789 340 A CB 0.246 19.174 19.000 -0.120 0.000 1.025 340 A HN 0.838 nan 8.150 nan 0.000 0.490 341 A N 1.429 124.168 122.820 -0.134 0.000 3.077 341 A HA 0.491 4.810 4.320 -0.001 0.000 0.255 341 A C -0.064 177.486 177.584 -0.056 0.000 1.728 341 A CA 0.141 52.127 52.037 -0.085 0.000 1.383 341 A CB -1.538 17.398 19.000 -0.106 0.000 1.097 341 A HN 1.669 nan 8.150 nan 0.000 0.634 342 L N -3.671 117.584 121.223 0.053 0.000 2.720 342 L HA 1.002 5.341 4.340 -0.001 0.000 0.261 342 L C -0.689 176.331 176.870 0.251 0.000 1.046 342 L CA -0.731 54.149 54.840 0.066 0.000 0.886 342 L CB 1.496 43.538 42.059 -0.027 0.000 1.493 342 L HN 0.497 nan 8.230 nan 0.000 0.407 343 A N 0.437 123.344 122.820 0.144 0.000 2.456 343 A HA 0.821 5.140 4.320 -0.001 0.000 0.288 343 A C -0.969 176.723 177.584 0.180 0.000 1.042 343 A CA -0.321 51.789 52.037 0.122 0.000 0.738 343 A CB 1.370 20.192 19.000 -0.297 0.000 1.266 343 A HN 0.679 nan 8.150 nan 0.000 0.407 344 S N 1.454 117.278 115.700 0.207 0.000 2.489 344 S HA 0.910 5.379 4.470 -0.001 0.000 0.291 344 S C -0.617 174.165 174.600 0.303 0.000 1.151 344 S CA -0.257 58.069 58.200 0.210 0.000 1.082 344 S CB 0.553 63.892 63.200 0.231 0.000 1.019 344 S HN 1.211 nan 8.310 nan 0.000 0.492 345 F N -0.022 119.990 119.950 0.104 0.000 2.817 345 F HA 0.659 5.185 4.527 -0.001 0.000 0.317 345 F C -1.314 174.506 175.800 0.033 0.000 1.168 345 F CA -1.094 56.843 58.000 -0.106 0.000 0.911 345 F CB 1.069 39.926 39.000 -0.238 0.000 1.337 345 F HN 0.325 nan 8.300 nan 0.000 0.464 346 N N 0.274 119.013 118.700 0.066 0.000 2.235 346 N HA 0.571 5.310 4.740 -0.001 0.000 0.293 346 N C -1.877 173.703 175.510 0.116 0.000 1.083 346 N CA -0.472 52.600 53.050 0.038 0.000 0.801 346 N CB 3.106 41.638 38.487 0.074 0.000 1.559 346 N HN 0.554 nan 8.380 nan 0.000 0.472 347 V N 1.414 121.386 119.914 0.097 0.000 2.407 347 V HA 0.416 4.535 4.120 -0.001 0.000 0.278 347 V C 0.672 176.781 176.094 0.024 0.000 1.037 347 V CA -1.030 61.318 62.300 0.081 0.000 0.900 347 V CB 0.980 32.863 31.823 0.099 0.000 0.983 347 V HN 0.803 nan 8.190 nan 0.000 0.459 348 A N 4.235 127.064 122.820 0.015 0.000 2.580 348 A HA 0.424 4.743 4.320 -0.001 0.000 0.244 348 A C 1.607 179.196 177.584 0.008 0.000 1.045 348 A CA 0.761 52.803 52.037 0.008 0.000 0.761 348 A CB -0.744 18.259 19.000 0.004 0.000 0.962 348 A HN 2.254 nan 8.150 nan 0.000 0.512 349 G N 0.450 109.252 108.800 0.003 0.000 2.166 349 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.260 349 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.260 349 G C -0.114 174.768 174.900 -0.031 0.000 0.986 349 G CA 0.769 45.868 45.100 -0.002 0.000 0.683 349 G HN 1.695 nan 8.290 nan 0.000 0.527 350 L N 0.441 121.634 121.223 -0.049 0.000 2.386 350 L HA 0.651 4.990 4.340 -0.001 0.000 0.271 350 L C 0.105 176.927 176.870 -0.080 0.000 0.993 350 L CA -1.625 53.142 54.840 -0.121 0.000 0.819 350 L CB 1.523 43.491 42.059 -0.152 0.000 1.294 350 L HN 0.272 nan 8.230 nan 0.000 0.414 351 H N 3.432 122.401 119.070 -0.169 0.000 2.683 351 H HA 0.263 4.818 4.556 -0.001 0.000 0.339 351 H C 0.814 176.069 175.328 -0.121 0.000 1.081 351 H CA 0.626 56.602 56.048 -0.120 0.000 1.432 351 H CB 1.926 31.621 29.762 -0.112 0.000 1.462 351 H HN 0.892 nan 8.280 nan 0.000 0.557 352 A N 3.696 126.361 122.820 -0.259 0.000 1.948 352 A HA -0.245 4.074 4.320 -0.001 0.000 0.220 352 A C 2.497 180.105 177.584 0.041 0.000 1.177 352 A CA 2.164 54.119 52.037 -0.137 0.000 0.636 352 A CB -0.819 18.035 19.000 -0.243 0.000 0.815 352 A HN 0.825 nan 8.150 nan 0.000 0.449 353 S N 0.183 116.062 115.700 0.298 0.000 2.382 353 S HA -0.208 4.261 4.470 -0.001 0.000 0.228 353 S C 1.435 176.075 174.600 0.068 0.000 1.027 353 S CA 1.468 59.758 58.200 0.150 0.000 0.991 353 S CB -0.549 62.697 63.200 0.077 0.000 0.823 353 S HN 0.560 nan 8.310 nan 0.000 0.469 354 D N 1.345 121.776 120.400 0.052 0.000 2.178 354 D HA 0.003 4.642 4.640 -0.001 0.000 0.202 354 D C 2.150 178.493 176.300 0.072 0.000 0.974 354 D CA 0.935 54.942 54.000 0.012 0.000 0.841 354 D CB -0.362 40.324 40.800 -0.191 0.000 0.953 354 D HN 0.363 nan 8.370 nan 0.000 0.478 355 V N 1.616 121.560 119.914 0.051 0.000 2.307 355 V HA -0.211 3.908 4.120 -0.001 0.000 0.245 355 V C 2.605 178.767 176.094 0.113 0.000 1.045 355 V CA 1.792 64.158 62.300 0.110 0.000 1.024 355 V CB -0.799 31.084 31.823 0.100 0.000 0.651 355 V HN 0.159 nan 8.190 nan 0.000 0.449 356 A N -0.266 122.596 122.820 0.070 0.000 1.902 356 A HA -0.229 4.090 4.320 -0.001 0.000 0.217 356 A C 2.401 180.013 177.584 0.048 0.000 1.181 356 A CA 2.537 54.607 52.037 0.055 0.000 0.623 356 A CB -1.050 17.961 19.000 0.019 0.000 0.818 356 A HN 0.493 nan 8.150 nan 0.000 0.443 357 T N -0.514 114.066 114.554 0.043 0.000 2.720 357 T HA -0.188 4.162 4.350 -0.001 0.000 0.268 357 T C 1.932 176.643 174.700 0.020 0.000 1.037 357 T CA 1.991 64.109 62.100 0.030 0.000 1.144 357 T CB -0.264 68.623 68.868 0.032 0.000 0.864 357 T HN 0.423 nan 8.240 nan 0.000 0.444 358 M N 1.820 121.442 119.600 0.037 0.000 2.099 358 M HA -0.026 4.453 4.480 -0.001 0.000 0.262 358 M C 2.288 178.579 176.300 -0.015 0.000 1.067 358 M CA 1.188 56.478 55.300 -0.017 0.000 1.124 358 M CB -0.570 32.036 32.600 0.010 0.000 1.353 358 M HN 0.210 nan 8.290 nan 0.000 0.410 359 V N -1.886 118.056 119.914 0.046 0.000 2.759 359 V HA -0.161 3.958 4.120 -0.001 0.000 0.256 359 V C 1.821 177.925 176.094 0.016 0.000 1.080 359 V CA 2.233 64.567 62.300 0.057 0.000 1.101 359 V CB -1.637 30.294 31.823 0.181 0.000 0.698 359 V HN 0.528 nan 8.190 nan 0.000 0.477 360 D N -0.055 120.353 120.400 0.014 0.000 2.218 360 D HA -0.186 4.453 4.640 -0.001 0.000 0.204 360 D C 2.167 178.458 176.300 -0.015 0.000 0.976 360 D CA 1.024 55.028 54.000 0.007 0.000 0.853 360 D CB -0.147 40.662 40.800 0.015 0.000 0.939 360 D HN 0.431 nan 8.370 nan 0.000 0.481 361 Q N -0.093 119.682 119.800 -0.042 0.000 2.291 361 Q HA -0.073 4.266 4.340 -0.001 0.000 0.205 361 Q C 0.680 176.589 176.000 -0.152 0.000 0.970 361 Q CA 0.825 56.595 55.803 -0.056 0.000 0.876 361 Q CB 0.082 28.775 28.738 -0.076 0.000 0.935 361 Q HN 0.445 nan 8.270 nan 0.000 0.455 362 D N -1.065 119.190 120.400 -0.242 0.000 2.342 362 D HA 0.156 4.795 4.640 -0.001 0.000 0.221 362 D C 0.836 176.938 176.300 -0.329 0.000 1.101 362 D CA 0.527 54.187 54.000 -0.567 0.000 0.837 362 D CB 0.628 41.231 40.800 -0.328 0.000 0.938 362 D HN 0.340 nan 8.370 nan 0.000 0.508 363 G N 0.886 109.629 108.800 -0.095 0.000 2.179 363 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.260 363 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.260 363 G C 0.337 175.261 174.900 0.040 0.000 0.977 363 G CA -0.227 44.892 45.100 0.031 0.000 0.641 363 G HN 0.274 nan 8.290 nan 0.000 0.533 364 I N 1.386 121.968 120.570 0.020 0.000 2.416 364 I HA 0.562 4.731 4.170 -0.001 0.000 0.288 364 I C 0.809 176.928 176.117 0.004 0.000 1.051 364 I CA -0.478 60.842 61.300 0.033 0.000 1.375 364 I CB 0.789 38.843 38.000 0.090 0.000 1.407 364 I HN 0.370 nan 8.210 nan 0.000 0.516 365 A N 8.742 131.540 122.820 -0.037 0.000 2.273 365 A HA 0.752 5.071 4.320 -0.001 0.000 0.320 365 A C -0.128 177.331 177.584 -0.208 0.000 1.358 365 A CA -0.477 51.513 52.037 -0.079 0.000 0.910 365 A CB 0.348 19.338 19.000 -0.017 0.000 1.159 365 A HN 0.742 nan 8.150 nan 0.000 0.526 366 I N -1.178 119.299 120.570 -0.154 0.000 3.239 366 I HA 0.919 5.088 4.170 -0.001 0.000 0.314 366 I C -0.545 175.506 176.117 -0.110 0.000 1.126 366 I CA -1.480 59.706 61.300 -0.190 0.000 0.973 366 I CB 1.915 39.809 38.000 -0.177 0.000 1.252 366 I HN 0.439 nan 8.210 nan 0.000 0.463 367 R N 1.232 121.674 120.500 -0.097 0.000 2.711 367 R HA 0.712 5.052 4.340 -0.001 0.000 0.284 367 R C -0.921 175.408 176.300 0.049 0.000 0.968 367 R CA -0.215 55.875 56.100 -0.017 0.000 0.924 367 R CB 1.947 32.248 30.300 0.003 0.000 1.162 367 R HN 0.963 nan 8.270 nan 0.000 0.465 368 S N 0.908 116.629 115.700 0.036 0.000 2.638 368 S HA 0.961 5.430 4.470 -0.001 0.000 0.302 368 S C -0.042 174.470 174.600 -0.146 0.000 1.096 368 S CA -0.151 58.035 58.200 -0.023 0.000 0.953 368 S CB 1.999 65.181 63.200 -0.031 0.000 1.107 368 S HN 1.071 nan 8.310 nan 0.000 0.503 369 G N 0.860 109.458 108.800 -0.336 0.000 2.362 369 G HA2 -0.001 3.958 3.960 -0.001 0.000 0.517 369 G HA3 -0.001 3.958 3.960 -0.001 0.000 0.517 369 G C 0.067 174.388 174.900 -0.966 0.000 1.256 369 G CA -0.143 44.630 45.100 -0.544 0.000 1.027 369 G HN 1.496 nan 8.290 nan 0.000 0.491 370 H N -0.791 117.797 119.070 -0.803 0.000 2.539 370 H HA 0.166 4.721 4.556 -0.002 0.000 0.269 370 H C 0.919 175.811 175.328 -0.727 0.000 0.980 370 H CA 0.667 56.058 56.048 -1.095 0.000 1.152 370 H CB -0.079 29.305 29.762 -0.630 0.000 1.407 370 H HN 0.790 nan 8.280 nan 0.000 0.564 371 H N -0.350 118.670 119.070 -0.083 0.000 2.776 371 H HA -0.169 4.386 4.556 -0.002 0.000 0.300 371 H C 0.608 175.889 175.328 -0.078 0.000 1.161 371 H CA 0.743 56.781 56.048 -0.016 0.000 1.147 371 H CB -2.575 27.210 29.762 0.038 0.000 1.366 371 H HN 0.672 nan 8.280 nan 0.000 0.397 372 C N -0.791 118.518 119.300 0.016 0.000 4.397 372 C HA -0.162 4.297 4.460 -0.001 0.000 0.291 372 C C 1.393 175.667 174.990 -1.194 0.000 1.408 372 C CA 1.549 60.082 59.018 -0.809 0.000 1.971 372 C CB -2.559 24.582 27.740 -0.999 0.000 1.258 372 C HN 0.995 nan 8.230 nan 0.000 0.795 373 T N -3.717 110.535 114.554 -0.502 0.000 3.732 373 T HA 0.344 4.693 4.350 -0.001 0.000 0.234 373 T C 0.478 175.209 174.700 0.050 0.000 1.146 373 T CA 0.205 62.217 62.100 -0.146 0.000 1.454 373 T CB 0.684 69.620 68.868 0.113 0.000 0.910 373 T HN 0.616 nan 8.240 nan 0.000 0.640 374 Q N 1.326 121.087 119.800 -0.066 0.000 2.050 374 Q HA -0.009 4.331 4.340 -0.001 0.000 0.202 374 Q C -0.890 175.125 176.000 0.026 0.000 0.980 374 Q CA 1.678 57.423 55.803 -0.097 0.000 0.840 374 Q CB -0.745 27.826 28.738 -0.279 0.000 0.898 374 Q HN 0.427 nan 8.270 nan 0.000 0.424 375 P HA -0.184 nan 4.420 nan 0.000 0.215 375 P C 1.252 178.520 177.300 -0.053 0.000 1.153 375 P CA 0.967 64.040 63.100 -0.046 0.000 0.853 375 P CB -0.123 31.533 31.700 -0.073 0.000 0.788 376 L N -0.877 120.343 121.223 -0.006 0.000 2.012 376 L HA -0.204 4.135 4.340 -0.001 0.000 0.210 376 L C 2.071 178.884 176.870 -0.095 0.000 1.073 376 L CA 2.130 56.933 54.840 -0.062 0.000 0.748 376 L CB -1.527 40.539 42.059 0.012 0.000 0.891 376 L HN 0.024 nan 8.230 nan 0.000 0.431 377 H N -0.572 118.488 119.070 -0.018 0.000 2.456 377 H HA -0.019 4.536 4.556 -0.001 0.000 0.296 377 H C 2.254 177.569 175.328 -0.022 0.000 1.079 377 H CA 1.489 57.545 56.048 0.013 0.000 1.322 377 H CB -0.050 29.698 29.762 -0.024 0.000 1.388 377 H HN 0.310 nan 8.280 nan 0.000 0.538 378 R N -0.260 120.259 120.500 0.033 0.000 2.148 378 R HA -0.085 4.254 4.340 -0.001 0.000 0.227 378 R C 1.396 177.639 176.300 -0.095 0.000 1.103 378 R CA 0.729 56.816 56.100 -0.022 0.000 0.983 378 R CB -0.135 30.136 30.300 -0.048 0.000 0.874 378 R HN 0.218 nan 8.270 nan 0.000 0.451 379 L N -0.713 120.376 121.223 -0.223 0.000 2.275 379 L HA -0.076 4.263 4.340 -0.001 0.000 0.215 379 L C 1.340 177.963 176.870 -0.412 0.000 1.119 379 L CA 1.588 56.202 54.840 -0.376 0.000 0.790 379 L CB -0.237 41.477 42.059 -0.575 0.000 0.919 379 L HN 0.065 nan 8.230 nan 0.000 0.443 380 F N -1.149 118.752 119.950 -0.081 0.000 2.641 380 F HA 0.146 4.672 4.527 -0.002 0.000 0.302 380 F C 0.460 176.258 175.800 -0.004 0.000 1.098 380 F CA -0.578 57.396 58.000 -0.043 0.000 1.318 380 F CB -0.059 38.843 39.000 -0.163 0.000 1.035 380 F HN -0.013 nan 8.300 nan 0.000 0.551 381 D N 1.428 121.888 120.400 0.100 0.000 2.701 381 D HA -0.190 4.449 4.640 -0.001 0.000 0.235 381 D C 0.064 176.422 176.300 0.098 0.000 1.155 381 D CA 0.836 54.882 54.000 0.077 0.000 0.649 381 D CB -0.769 40.073 40.800 0.069 0.000 1.050 381 D HN 0.320 nan 8.370 nan 0.000 0.425 382 A N -0.061 122.828 122.820 0.115 0.000 2.371 382 A HA 0.590 4.909 4.320 -0.001 0.000 0.311 382 A C 1.116 178.750 177.584 0.085 0.000 1.068 382 A CA 0.125 52.223 52.037 0.101 0.000 0.744 382 A CB 1.631 20.706 19.000 0.125 0.000 1.239 382 A HN 0.111 nan 8.150 nan 0.000 0.435 383 S N 1.490 117.197 115.700 0.010 0.000 2.461 383 S HA 0.431 4.900 4.470 -0.001 0.000 0.228 383 S C 0.916 175.447 174.600 -0.116 0.000 1.005 383 S CA 0.831 59.025 58.200 -0.012 0.000 0.942 383 S CB -0.114 63.093 63.200 0.011 0.000 0.776 383 S HN 2.087 nan 8.310 nan 0.000 0.514 384 G N -0.121 108.575 108.800 -0.173 0.000 2.489 384 G HA2 0.525 4.484 3.960 -0.001 0.000 0.305 384 G HA3 0.525 4.484 3.960 -0.001 0.000 0.305 384 G C -1.390 173.419 174.900 -0.152 0.000 1.311 384 G CA -0.181 44.685 45.100 -0.390 0.000 0.813 384 G HN 1.030 nan 8.290 nan 0.000 0.480 385 S N -1.766 113.828 115.700 -0.177 0.000 2.588 385 S HA 0.840 5.309 4.470 -0.001 0.000 0.269 385 S C -0.510 174.055 174.600 -0.057 0.000 1.157 385 S CA 0.021 58.220 58.200 -0.003 0.000 0.824 385 S CB 1.362 64.715 63.200 0.256 0.000 1.126 385 S HN 2.297 nan 8.310 nan 0.000 0.464 386 A N 1.046 123.671 122.820 -0.325 0.000 2.309 386 A HA 0.837 5.156 4.320 -0.001 0.000 0.298 386 A C 0.042 177.351 177.584 -0.458 0.000 1.165 386 A CA -0.711 51.041 52.037 -0.475 0.000 0.821 386 A CB 0.649 19.113 19.000 -0.894 0.000 1.102 386 A HN 0.861 nan 8.150 nan 0.000 0.500 387 R N 1.871 122.248 120.500 -0.206 0.000 2.514 387 R HA 0.587 4.926 4.340 -0.001 0.000 0.296 387 R C -1.148 175.063 176.300 -0.148 0.000 1.012 387 R CA -0.335 55.665 56.100 -0.166 0.000 0.897 387 R CB 1.633 31.697 30.300 -0.393 0.000 1.184 387 R HN 0.880 nan 8.270 nan 0.000 0.440 388 A N 2.818 125.590 122.820 -0.080 0.000 2.271 388 A HA 0.513 4.833 4.320 -0.001 0.000 0.317 388 A C -0.754 176.721 177.584 -0.181 0.000 1.245 388 A CA -0.570 51.312 52.037 -0.258 0.000 0.857 388 A CB 1.022 19.736 19.000 -0.477 0.000 1.175 388 A HN 0.737 nan 8.150 nan 0.000 0.512 389 S N 2.849 118.421 115.700 -0.213 0.000 2.532 389 S HA 0.771 5.240 4.470 -0.001 0.000 0.299 389 S C -0.516 173.994 174.600 -0.150 0.000 1.105 389 S CA -0.645 57.457 58.200 -0.163 0.000 1.018 389 S CB 0.818 63.919 63.200 -0.166 0.000 1.021 389 S HN 0.549 nan 8.310 nan 0.000 0.483 390 L N 2.512 123.669 121.223 -0.111 0.000 2.365 390 L HA 0.704 5.043 4.340 -0.001 0.000 0.267 390 L C -0.556 176.313 176.870 -0.002 0.000 1.033 390 L CA -1.022 53.783 54.840 -0.058 0.000 0.802 390 L CB 0.741 42.775 42.059 -0.043 0.000 1.267 390 L HN 0.685 nan 8.230 nan 0.000 0.457 391 Y N -0.693 119.464 120.300 -0.238 0.000 2.728 391 Y HA 0.235 4.784 4.550 -0.002 0.000 0.330 391 Y C 0.441 176.075 175.900 -0.443 0.000 1.234 391 Y CA -2.148 55.707 58.100 -0.408 0.000 1.070 391 Y CB 1.394 39.283 38.460 -0.951 0.000 1.300 391 Y HN 0.489 nan 8.280 nan 0.000 0.467 392 F N -0.075 119.720 119.950 -0.259 0.000 2.546 392 F HA -0.049 4.478 4.527 -0.001 0.000 0.298 392 F C 0.887 176.678 175.800 -0.015 0.000 1.120 392 F CA 0.712 58.692 58.000 -0.032 0.000 1.456 392 F CB -1.221 37.741 39.000 -0.063 0.000 1.088 392 F HN 0.326 nan 8.300 nan 0.000 0.572 393 Y N -0.359 119.802 120.300 -0.233 0.000 2.466 393 Y HA 0.399 4.948 4.550 -0.001 0.000 0.272 393 Y C -0.114 175.794 175.900 0.013 0.000 1.169 393 Y CA -2.069 55.954 58.100 -0.129 0.000 1.285 393 Y CB -1.923 36.209 38.460 -0.547 0.000 1.078 393 Y HN 0.022 nan 8.280 nan 0.000 0.523 394 N N 0.817 119.630 118.700 0.188 0.000 2.493 394 N HA 0.432 5.171 4.740 -0.001 0.000 0.275 394 N C -0.074 175.576 175.510 0.233 0.000 1.186 394 N CA 0.054 53.226 53.050 0.204 0.000 0.978 394 N CB 0.906 39.459 38.487 0.111 0.000 1.184 394 N HN 0.332 nan 8.380 nan 0.000 0.487 395 T N -2.804 111.853 114.554 0.173 0.000 2.907 395 T HA 0.344 4.693 4.350 -0.001 0.000 0.290 395 T C 0.578 175.321 174.700 0.071 0.000 1.066 395 T CA -0.859 61.334 62.100 0.155 0.000 1.012 395 T CB 1.767 70.717 68.868 0.136 0.000 1.184 395 T HN 0.277 nan 8.240 nan 0.000 0.522 396 K N 0.102 120.487 120.400 -0.025 0.000 2.148 396 K HA -0.084 4.235 4.320 -0.001 0.000 0.204 396 K C 1.916 178.532 176.600 0.028 0.000 1.050 396 K CA 1.408 57.588 56.287 -0.179 0.000 0.942 396 K CB -0.111 32.019 32.500 -0.617 0.000 0.724 396 K HN 0.600 nan 8.250 nan 0.000 0.446 397 E N 1.120 121.346 120.200 0.043 0.000 2.077 397 E HA -0.171 4.178 4.350 -0.001 0.000 0.193 397 E C 1.695 178.370 176.600 0.125 0.000 0.989 397 E CA 1.259 57.713 56.400 0.090 0.000 0.800 397 E CB -0.003 29.741 29.700 0.074 0.000 0.746 397 E HN 0.316 nan 8.360 nan 0.000 0.452 398 E N -0.079 120.196 120.200 0.126 0.000 2.106 398 E HA -0.133 4.216 4.350 -0.001 0.000 0.192 398 E C 2.102 178.813 176.600 0.185 0.000 0.984 398 E CA 1.068 57.552 56.400 0.139 0.000 0.806 398 E CB -0.060 29.715 29.700 0.125 0.000 0.750 398 E HN 0.157 nan 8.360 nan 0.000 0.458 399 I N 1.668 122.364 120.570 0.211 0.000 2.226 399 I HA -0.196 3.973 4.170 -0.001 0.000 0.245 399 I C 1.901 178.177 176.117 0.264 0.000 1.100 399 I CA 1.341 62.814 61.300 0.289 0.000 1.374 399 I CB -0.774 37.440 38.000 0.355 0.000 1.057 399 I HN 0.167 nan 8.210 nan 0.000 0.413 400 D N 0.327 120.873 120.400 0.243 0.000 2.144 400 D HA -0.106 4.533 4.640 -0.001 0.000 0.199 400 D C 2.214 178.570 176.300 0.095 0.000 0.984 400 D CA 1.139 55.231 54.000 0.154 0.000 0.834 400 D CB -0.298 40.608 40.800 0.176 0.000 0.955 400 D HN 0.363 nan 8.370 nan 0.000 0.465 401 L N -0.108 121.191 121.223 0.127 0.000 2.083 401 L HA -0.149 4.190 4.340 -0.001 0.000 0.209 401 L C 2.346 179.288 176.870 0.121 0.000 1.083 401 L CA 0.646 55.549 54.840 0.105 0.000 0.752 401 L CB -0.387 41.742 42.059 0.116 0.000 0.899 401 L HN -0.000 nan 8.230 nan 0.000 0.433 402 F N 0.975 120.931 119.950 0.009 0.000 2.102 402 F HA -0.190 4.336 4.527 -0.001 0.000 0.298 402 F C 2.146 177.924 175.800 -0.036 0.000 1.105 402 F CA 1.443 59.437 58.000 -0.010 0.000 1.239 402 F CB -0.475 38.521 39.000 -0.006 0.000 0.991 402 F HN -0.132 nan 8.300 nan 0.000 0.474 403 L N 0.046 121.054 121.223 -0.359 0.000 2.042 403 L HA -0.260 4.079 4.340 -0.001 0.000 0.210 403 L C 2.568 179.255 176.870 -0.306 0.000 1.076 403 L CA 1.714 56.262 54.840 -0.486 0.000 0.749 403 L CB -0.919 40.965 42.059 -0.291 0.000 0.893 403 L HN 0.233 nan 8.230 nan 0.000 0.432 404 Q N -1.019 118.688 119.800 -0.155 0.000 2.124 404 Q HA -0.199 4.140 4.340 -0.001 0.000 0.202 404 Q C 2.482 178.426 176.000 -0.094 0.000 0.977 404 Q CA 1.739 57.484 55.803 -0.096 0.000 0.850 404 Q CB -0.177 28.540 28.738 -0.035 0.000 0.901 404 Q HN 0.367 nan 8.270 nan 0.000 0.429 405 S N 0.368 116.014 115.700 -0.089 0.000 2.383 405 S HA -0.113 4.356 4.470 -0.001 0.000 0.227 405 S C 1.799 176.352 174.600 -0.079 0.000 1.026 405 S CA 0.608 58.773 58.200 -0.059 0.000 0.981 405 S CB -0.091 63.109 63.200 0.000 0.000 0.818 405 S HN 0.288 nan 8.310 nan 0.000 0.472 406 L N 1.770 122.874 121.223 -0.198 0.000 2.056 406 L HA 0.008 4.347 4.340 -0.001 0.000 0.207 406 L C 2.378 179.177 176.870 -0.119 0.000 1.078 406 L CA 1.884 56.605 54.840 -0.198 0.000 0.749 406 L CB -0.933 40.824 42.059 -0.503 0.000 0.901 406 L HN 0.349 nan 8.230 nan 0.000 0.433 407 Q N -0.896 118.815 119.800 -0.148 0.000 2.124 407 Q HA -0.156 4.183 4.340 -0.001 0.000 0.202 407 Q C 2.255 178.237 176.000 -0.029 0.000 0.977 407 Q CA 1.676 57.425 55.803 -0.090 0.000 0.850 407 Q CB -0.348 28.329 28.738 -0.102 0.000 0.901 407 Q HN 0.676 nan 8.270 nan 0.000 0.429 408 A N 0.206 123.010 122.820 -0.026 0.000 1.898 408 A HA -0.171 4.148 4.320 -0.001 0.000 0.216 408 A C 2.217 179.829 177.584 0.048 0.000 1.181 408 A CA 1.787 53.828 52.037 0.007 0.000 0.620 408 A CB -0.826 18.168 19.000 -0.009 0.000 0.819 408 A HN 0.307 nan 8.150 nan 0.000 0.442 409 T N -0.121 114.463 114.554 0.050 0.000 2.746 409 T HA -0.141 4.209 4.350 -0.001 0.000 0.267 409 T C 1.923 176.779 174.700 0.261 0.000 1.039 409 T CA 1.819 63.997 62.100 0.130 0.000 1.142 409 T CB -0.505 68.457 68.868 0.157 0.000 0.866 409 T HN 0.282 nan 8.240 nan 0.000 0.444 410 I N 1.113 121.790 120.570 0.179 0.000 2.286 410 I HA -0.119 4.050 4.170 -0.001 0.000 0.248 410 I C 2.658 178.872 176.117 0.162 0.000 1.115 410 I CA 1.031 62.441 61.300 0.184 0.000 1.392 410 I CB -1.092 36.954 38.000 0.077 0.000 1.065 410 I HN 0.370 nan 8.210 nan 0.000 0.418 411 R N -0.552 120.009 120.500 0.102 0.000 2.081 411 R HA -0.187 4.152 4.340 -0.001 0.000 0.235 411 R C 2.366 178.699 176.300 0.055 0.000 1.131 411 R CA 1.934 58.071 56.100 0.062 0.000 0.960 411 R CB -0.725 29.597 30.300 0.037 0.000 0.856 411 R HN 0.531 nan 8.270 nan 0.000 0.436 412 F N 0.713 120.599 119.950 -0.107 0.000 2.091 412 F HA -0.213 4.313 4.527 -0.002 0.000 0.299 412 F C 1.387 177.001 175.800 -0.311 0.000 1.103 412 F CA 1.577 59.414 58.000 -0.271 0.000 1.228 412 F CB -0.122 38.597 39.000 -0.468 0.000 0.984 412 F HN -0.121 nan 8.300 nan 0.000 0.477 413 F N 0.416 120.483 119.950 0.195 0.000 2.773 413 F HA 0.148 4.674 4.527 -0.002 0.000 0.304 413 F C 1.350 177.155 175.800 0.008 0.000 1.129 413 F CA 0.173 58.227 58.000 0.090 0.000 1.378 413 F CB -1.022 38.080 39.000 0.169 0.000 1.095 413 F HN -0.077 nan 8.300 nan 0.000 0.565 414 S N 0.000 115.762 115.700 0.104 0.000 2.498 414 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 414 S CA 0.000 58.234 58.200 0.057 0.000 1.107 414 S CB 0.000 63.226 63.200 0.043 0.000 0.593 414 S HN 0.000 nan 8.310 nan 0.000 0.517