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 3kqa_1_B DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT RLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDI DATA SEQUENCE DTTMKLLTQL GTKVERDGSV WIDASNVNNF SAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGXAIGAR PVDLHIFGLE KLGAEIKLEE GYVKASVNGR DATA SEQUENCE LKGAHIVMDK VSVGATVTIM SAATLAEGTT IIENAAREPE IVDTANFLVA DATA SEQUENCE LGAKISGQGT DRITIEGVER LGGGVYRVLP DRIETGTFLV AAAISGGKIV DATA SEQUENCE CRNAQPDTLD AVLAKLREAG ADIETGEDWI SLDMHGKRPK AVTVRTAPHP DATA SEQUENCE AFPTDMQAQF TLLNLVAEGT GVITETIFEN RFMHVPELIR MGAHAEIESN DATA SEQUENCE TVICHGVEKL SGAQVMATDL RASASLVLAG CIAEGTTVVD RIYHIDRGYE DATA SEQUENCE RIEDKLRALG ANIERVKGE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.290 176.300 -0.017 0.000 1.140 1 M CA 0.000 55.290 55.300 -0.017 0.000 0.988 1 M CB 0.000 32.605 32.600 0.007 0.000 1.302 2 D N 3.768 124.149 120.400 -0.033 0.000 2.419 2 D HA 0.486 5.126 4.640 0.000 0.000 0.236 2 D C -0.397 175.826 176.300 -0.128 0.000 1.165 2 D CA 0.626 54.583 54.000 -0.072 0.000 0.882 2 D CB 0.678 41.420 40.800 -0.096 0.000 1.201 2 D HN 0.554 nan 8.370 nan 0.000 0.443 3 K N 0.098 120.407 120.400 -0.151 0.000 2.533 3 K HA 0.515 4.835 4.320 0.000 0.000 0.272 3 K C -1.027 175.495 176.600 -0.130 0.000 0.985 3 K CA -0.759 55.428 56.287 -0.167 0.000 0.876 3 K CB 1.776 34.254 32.500 -0.037 0.000 1.452 3 K HN 0.257 nan 8.250 nan 0.000 0.439 4 F N 1.058 121.016 119.950 0.013 0.000 2.458 4 F HA 0.429 4.956 4.527 -0.000 0.000 0.336 4 F C 0.224 176.027 175.800 0.006 0.000 1.114 4 F CA -0.975 57.029 58.000 0.007 0.000 0.987 4 F CB 1.944 40.943 39.000 -0.002 0.000 1.130 4 F HN 0.259 nan 8.300 nan 0.000 0.458 5 R N 3.567 124.196 120.500 0.215 0.000 2.229 5 R HA 0.639 4.979 4.340 0.000 0.000 0.332 5 R C -1.796 174.551 176.300 0.078 0.000 0.989 5 R CA -0.326 55.842 56.100 0.113 0.000 0.842 5 R CB 1.028 31.375 30.300 0.078 0.000 1.119 5 R HN 0.519 nan 8.270 nan 0.000 0.456 6 V N 4.185 124.134 119.914 0.057 0.000 2.815 6 V HA 0.419 4.539 4.120 0.000 0.000 0.314 6 V C -0.418 175.684 176.094 0.014 0.000 1.064 6 V CA -0.862 61.449 62.300 0.018 0.000 0.952 6 V CB 1.942 33.771 31.823 0.011 0.000 1.020 6 V HN 0.767 nan 8.190 nan 0.000 0.439 7 Q N 1.577 121.378 119.800 0.001 0.000 2.323 7 Q HA 0.696 5.036 4.340 0.000 0.000 0.271 7 Q C -0.204 175.795 176.000 -0.002 0.000 1.048 7 Q CA -0.452 55.353 55.803 0.003 0.000 0.792 7 Q CB 2.899 31.639 28.738 0.003 0.000 1.280 7 Q HN 0.980 nan 8.270 nan 0.000 0.441 8 G N 1.939 110.740 108.800 0.002 0.000 2.949 8 G HA2 0.732 4.692 3.960 0.000 0.000 0.285 8 G HA3 0.732 4.692 3.960 0.000 0.000 0.285 8 G C -2.915 171.987 174.900 0.002 0.000 1.395 8 G CA -1.232 43.868 45.100 -0.000 0.000 0.901 8 G HN 0.323 nan 8.290 nan 0.000 0.519 9 P HA 0.352 nan 4.420 nan 0.000 0.288 9 P C -0.592 176.706 177.300 -0.002 0.000 1.267 9 P CA -0.077 63.023 63.100 0.000 0.000 0.815 9 P CB 1.542 33.243 31.700 0.002 0.000 0.989 10 T N -0.103 114.449 114.554 -0.004 0.000 2.876 10 T HA 0.495 4.845 4.350 0.000 0.000 0.289 10 T C -0.252 174.445 174.700 -0.005 0.000 1.014 10 T CA -1.070 61.026 62.100 -0.006 0.000 0.986 10 T CB 1.743 70.605 68.868 -0.010 0.000 1.021 10 T HN 0.394 nan 8.240 nan 0.000 0.458 11 R N 2.368 122.865 120.500 -0.005 0.000 2.340 11 R HA 0.522 4.862 4.340 0.000 0.000 0.300 11 R C -0.769 175.529 176.300 -0.004 0.000 1.069 11 R CA -0.684 55.413 56.100 -0.004 0.000 0.984 11 R CB 0.277 30.575 30.300 -0.004 0.000 1.003 11 R HN 0.694 nan 8.270 nan 0.000 0.459 12 L N 6.264 127.487 121.223 0.000 0.000 2.262 12 L HA 0.329 4.669 4.340 0.000 0.000 0.288 12 L C -0.109 176.765 176.870 0.006 0.000 1.035 12 L CA -0.285 54.560 54.840 0.008 0.000 0.820 12 L CB 1.086 43.160 42.059 0.025 0.000 1.204 12 L HN 0.751 nan 8.230 nan 0.000 0.424 13 Q N 2.942 122.740 119.800 -0.004 0.000 2.565 13 Q HA 0.856 5.196 4.340 0.000 0.000 0.294 13 Q C -0.284 175.702 176.000 -0.024 0.000 1.005 13 Q CA -0.361 55.434 55.803 -0.012 0.000 0.771 13 Q CB 3.002 31.730 28.738 -0.017 0.000 1.486 13 Q HN 0.614 nan 8.270 nan 0.000 0.422 14 G N 0.729 109.510 108.800 -0.032 0.000 2.317 14 G HA2 -0.047 3.913 3.960 0.000 0.000 0.196 14 G HA3 -0.047 3.913 3.960 0.000 0.000 0.196 14 G C -1.428 173.438 174.900 -0.055 0.000 1.255 14 G CA -0.275 44.798 45.100 -0.045 0.000 1.243 14 G HN 0.701 nan 8.290 nan 0.000 0.535 15 E N -1.377 118.779 120.200 -0.073 0.000 2.343 15 E HA 0.639 4.989 4.350 0.000 0.000 0.270 15 E C -1.360 175.160 176.600 -0.134 0.000 0.895 15 E CA -0.755 55.593 56.400 -0.087 0.000 0.767 15 E CB 3.180 32.831 29.700 -0.081 0.000 1.248 15 E HN 0.886 nan 8.360 nan 0.000 0.440 16 V N 1.161 120.977 119.914 -0.163 0.000 2.971 16 V HA 0.462 4.582 4.120 0.000 0.000 0.309 16 V C -1.318 174.669 176.094 -0.178 0.000 1.130 16 V CA -0.254 61.881 62.300 -0.275 0.000 0.964 16 V CB 2.438 33.899 31.823 -0.604 0.000 1.029 16 V HN 0.705 nan 8.190 nan 0.000 0.427 17 T N 7.491 121.951 114.554 -0.155 0.000 2.749 17 T HA 0.519 4.869 4.350 0.000 0.000 0.287 17 T C -0.161 174.504 174.700 -0.058 0.000 0.970 17 T CA -0.237 61.819 62.100 -0.074 0.000 0.980 17 T CB 0.541 69.379 68.868 -0.050 0.000 0.924 17 T HN 0.466 nan 8.240 nan 0.000 0.456 18 I N 3.211 123.775 120.570 -0.009 0.000 2.556 18 I HA 0.145 4.315 4.170 0.000 0.000 0.284 18 I C 1.190 177.328 176.117 0.034 0.000 1.114 18 I CA 0.058 61.383 61.300 0.041 0.000 1.418 18 I CB 0.521 38.563 38.000 0.069 0.000 1.394 18 I HN 0.555 nan 8.210 nan 0.000 0.552 19 S N 4.058 119.792 115.700 0.055 0.000 2.624 19 S HA 0.461 4.931 4.470 0.000 0.000 0.263 19 S C 0.624 175.230 174.600 0.010 0.000 1.287 19 S CA -0.572 57.647 58.200 0.031 0.000 0.990 19 S CB 1.231 64.460 63.200 0.047 0.000 0.950 19 S HN 0.842 nan 8.310 nan 0.000 0.561 20 G N 0.070 108.863 108.800 -0.011 0.000 2.527 20 G HA2 0.482 4.442 3.960 0.000 0.000 0.248 20 G HA3 0.482 4.442 3.960 0.000 0.000 0.248 20 G C -0.262 174.622 174.900 -0.026 0.000 1.231 20 G CA -0.513 44.570 45.100 -0.028 0.000 0.838 20 G HN 0.877 nan 8.290 nan 0.000 0.570 21 A N 1.250 124.052 122.820 -0.031 0.000 2.396 21 A HA 0.327 4.647 4.320 0.000 0.000 0.279 21 A C 1.491 179.059 177.584 -0.027 0.000 1.165 21 A CA -0.200 51.817 52.037 -0.033 0.000 0.824 21 A CB 0.446 19.427 19.000 -0.033 0.000 1.100 21 A HN 0.861 nan 8.150 nan 0.000 0.516 22 K N 2.389 122.775 120.400 -0.023 0.000 2.147 22 K HA -0.159 4.161 4.320 0.000 0.000 0.205 22 K C 0.807 177.429 176.600 0.037 0.000 1.049 22 K CA 1.843 58.131 56.287 0.002 0.000 0.936 22 K CB -0.043 32.459 32.500 0.004 0.000 0.722 22 K HN 0.746 nan 8.250 nan 0.000 0.446 23 N N 0.117 118.837 118.700 0.033 0.000 2.512 23 N HA -0.064 4.676 4.740 0.000 0.000 0.183 23 N C 1.019 176.555 175.510 0.043 0.000 1.073 23 N CA 0.986 54.084 53.050 0.079 0.000 0.911 23 N CB 0.316 38.840 38.487 0.062 0.000 0.964 23 N HN 0.319 nan 8.380 nan 0.000 0.447 24 A N 0.057 122.872 122.820 -0.008 0.000 2.013 24 A HA 0.446 4.766 4.320 0.000 0.000 0.204 24 A C 2.182 179.716 177.584 -0.082 0.000 1.262 24 A CA 0.729 52.736 52.037 -0.049 0.000 0.800 24 A CB -0.339 18.641 19.000 -0.033 0.000 0.909 24 A HN 0.184 nan 8.150 nan 0.000 0.472 25 A N 0.375 123.158 122.820 -0.061 0.000 1.902 25 A HA -0.013 4.307 4.320 0.000 0.000 0.217 25 A C 2.110 179.644 177.584 -0.082 0.000 1.181 25 A CA 1.442 53.421 52.037 -0.096 0.000 0.623 25 A CB -0.660 18.294 19.000 -0.076 0.000 0.818 25 A HN 0.441 nan 8.150 nan 0.000 0.443 26 L N 0.022 121.263 121.223 0.030 0.000 1.970 26 L HA -0.130 4.210 4.340 0.000 0.000 0.212 26 L C -0.174 176.789 176.870 0.155 0.000 1.071 26 L CA 1.907 56.854 54.840 0.178 0.000 0.751 26 L CB -1.547 40.770 42.059 0.429 0.000 0.889 26 L HN 0.298 nan 8.230 nan 0.000 0.432 27 P HA -0.187 nan 4.420 nan 0.000 0.218 27 P C 1.822 178.965 177.300 -0.262 0.000 1.149 27 P CA 1.670 64.434 63.100 -0.558 0.000 0.817 27 P CB 0.044 31.157 31.700 -0.978 0.000 0.785 28 I N -0.744 119.664 120.570 -0.271 0.000 2.315 28 I HA -0.201 3.969 4.170 0.000 0.000 0.248 28 I C 2.613 178.498 176.117 -0.386 0.000 1.117 28 I CA 1.040 62.078 61.300 -0.437 0.000 1.404 28 I CB -0.510 37.094 38.000 -0.661 0.000 1.071 28 I HN -0.166 nan 8.210 nan 0.000 0.419 29 L N -0.591 120.465 121.223 -0.279 0.000 2.046 29 L HA -0.218 4.122 4.340 0.000 0.000 0.208 29 L C 2.371 179.113 176.870 -0.214 0.000 1.077 29 L CA 1.583 56.258 54.840 -0.275 0.000 0.747 29 L CB -0.594 41.265 42.059 -0.333 0.000 0.896 29 L HN 0.137 nan 8.230 nan 0.000 0.432 30 F N -0.340 119.600 119.950 -0.017 0.000 2.259 30 F HA -0.100 4.427 4.527 0.000 0.000 0.298 30 F C 2.572 178.404 175.800 0.054 0.000 1.088 30 F CA 0.857 58.888 58.000 0.053 0.000 1.358 30 F CB -0.538 38.531 39.000 0.115 0.000 1.040 30 F HN -0.011 nan 8.300 nan 0.000 0.505 31 A N 0.166 123.096 122.820 0.184 0.000 2.019 31 A HA -0.072 4.248 4.320 0.000 0.000 0.219 31 A C 2.326 180.073 177.584 0.273 0.000 1.164 31 A CA 1.401 53.560 52.037 0.203 0.000 0.644 31 A CB -1.130 18.014 19.000 0.240 0.000 0.805 31 A HN 0.290 nan 8.150 nan 0.000 0.449 32 A N -0.359 122.620 122.820 0.266 0.000 2.178 32 A HA 0.017 4.337 4.320 0.000 0.000 0.218 32 A C 1.928 179.615 177.584 0.173 0.000 1.157 32 A CA 1.141 53.335 52.037 0.261 0.000 0.689 32 A CB -0.580 18.518 19.000 0.163 0.000 0.787 32 A HN 0.504 nan 8.150 nan 0.000 0.465 33 L N -0.957 120.371 121.223 0.176 0.000 2.353 33 L HA -0.122 4.218 4.340 0.000 0.000 0.220 33 L C 2.001 178.978 176.870 0.179 0.000 1.133 33 L CA 0.647 55.611 54.840 0.206 0.000 0.798 33 L CB -0.306 41.913 42.059 0.268 0.000 0.922 33 L HN 0.413 nan 8.230 nan 0.000 0.445 34 L N -0.543 120.748 121.223 0.113 0.000 2.418 34 L HA 0.103 4.443 4.340 0.000 0.000 0.218 34 L C 1.330 178.197 176.870 -0.006 0.000 1.125 34 L CA -0.355 54.498 54.840 0.022 0.000 0.835 34 L CB -0.355 41.700 42.059 -0.007 0.000 0.953 34 L HN 0.100 nan 8.230 nan 0.000 0.454 35 A N 0.241 123.082 122.820 0.035 0.000 2.409 35 A HA 0.130 4.450 4.320 0.000 0.000 0.262 35 A C 0.910 178.515 177.584 0.035 0.000 1.113 35 A CA -0.205 51.840 52.037 0.014 0.000 0.790 35 A CB 0.299 19.324 19.000 0.043 0.000 1.046 35 A HN 0.295 nan 8.150 nan 0.000 0.496 36 E N 1.053 121.259 120.200 0.009 0.000 2.447 36 E HA 0.032 4.382 4.350 0.000 0.000 0.195 36 E C -0.000 176.623 176.600 0.038 0.000 1.028 36 E CA 0.468 56.884 56.400 0.026 0.000 0.876 36 E CB 0.346 30.047 29.700 0.001 0.000 0.885 36 E HN 0.848 nan 8.360 nan 0.000 0.500 37 E N -0.039 120.181 120.200 0.034 0.000 2.320 37 E HA 0.288 4.638 4.350 0.000 0.000 0.264 37 E C -2.660 173.979 176.600 0.065 0.000 0.923 37 E CA -2.519 53.908 56.400 0.044 0.000 0.796 37 E CB 1.665 31.383 29.700 0.030 0.000 1.262 37 E HN -0.170 nan 8.360 nan 0.000 0.428 38 P HA -0.017 nan 4.420 nan 0.000 0.264 38 P C -1.159 176.216 177.300 0.125 0.000 1.183 38 P CA 0.142 63.307 63.100 0.109 0.000 0.763 38 P CB 0.463 32.231 31.700 0.114 0.000 0.807 39 V N 3.042 123.045 119.914 0.149 0.000 2.680 39 V HA 0.341 4.461 4.120 0.000 0.000 0.309 39 V C -0.080 176.095 176.094 0.134 0.000 1.052 39 V CA -0.511 61.886 62.300 0.161 0.000 0.908 39 V CB 1.952 33.901 31.823 0.209 0.000 1.001 39 V HN 0.508 nan 8.190 nan 0.000 0.431 40 E N 4.215 124.466 120.200 0.085 0.000 2.176 40 E HA 0.581 4.931 4.350 0.000 0.000 0.267 40 E C -1.551 174.964 176.600 -0.142 0.000 0.893 40 E CA -0.598 55.720 56.400 -0.136 0.000 0.761 40 E CB 1.609 31.235 29.700 -0.122 0.000 1.133 40 E HN 0.611 nan 8.360 nan 0.000 0.409 41 I N 4.468 124.870 120.570 -0.281 0.000 2.355 41 I HA 0.195 4.365 4.170 0.000 0.000 0.288 41 I C 0.098 176.037 176.117 -0.297 0.000 0.999 41 I CA -0.566 60.604 61.300 -0.216 0.000 1.163 41 I CB 1.539 39.390 38.000 -0.249 0.000 1.316 41 I HN 0.396 nan 8.210 nan 0.000 0.454 42 Q N 4.550 124.217 119.800 -0.221 0.000 2.212 42 Q HA 0.301 4.641 4.340 0.000 0.000 0.238 42 Q C 0.296 176.195 176.000 -0.169 0.000 0.955 42 Q CA -0.760 54.910 55.803 -0.221 0.000 0.906 42 Q CB 1.108 29.742 28.738 -0.173 0.000 1.215 42 Q HN 0.645 nan 8.270 nan 0.000 0.478 43 N N -0.382 118.232 118.700 -0.142 0.000 2.758 43 N HA -0.168 4.572 4.740 0.000 0.000 0.248 43 N C -1.463 173.991 175.510 -0.094 0.000 1.076 43 N CA -0.320 52.669 53.050 -0.101 0.000 0.696 43 N CB -0.382 38.048 38.487 -0.094 0.000 0.979 43 N HN 0.264 nan 8.380 nan 0.000 0.550 44 V N 2.439 122.287 119.914 -0.110 0.000 2.385 44 V HA 0.363 4.483 4.120 0.000 0.000 0.269 44 V C -1.363 174.695 176.094 -0.059 0.000 1.043 44 V CA -0.967 61.276 62.300 -0.095 0.000 0.906 44 V CB 1.277 33.025 31.823 -0.126 0.000 0.995 44 V HN 0.185 nan 8.190 nan 0.000 0.467 45 P HA 0.125 nan 4.420 nan 0.000 0.270 45 P C -0.801 176.496 177.300 -0.005 0.000 1.223 45 P CA -0.366 62.727 63.100 -0.012 0.000 0.785 45 P CB 0.891 32.589 31.700 -0.004 0.000 0.923 46 K N 2.372 122.780 120.400 0.013 0.000 2.296 46 K HA 0.461 4.781 4.320 0.000 0.000 0.257 46 K C -0.246 176.373 176.600 0.032 0.000 1.088 46 K CA -0.256 56.042 56.287 0.019 0.000 0.980 46 K CB 0.136 32.652 32.500 0.026 0.000 1.430 46 K HN 0.426 nan 8.250 nan 0.000 0.441 47 L N 1.114 122.353 121.223 0.026 0.000 2.359 47 L HA 0.336 4.676 4.340 0.000 0.000 0.256 47 L C 1.392 178.281 176.870 0.030 0.000 1.026 47 L CA -0.919 53.943 54.840 0.037 0.000 0.828 47 L CB 1.715 43.796 42.059 0.037 0.000 1.406 47 L HN 0.378 nan 8.230 nan 0.000 0.413 48 K N 0.376 120.798 120.400 0.036 0.000 2.044 48 K HA -0.210 4.110 4.320 0.000 0.000 0.210 48 K C 0.966 177.582 176.600 0.026 0.000 1.049 48 K CA 2.280 58.583 56.287 0.028 0.000 0.927 48 K CB 0.107 32.626 32.500 0.031 0.000 0.713 48 K HN 0.644 nan 8.250 nan 0.000 0.443 49 D N 0.652 121.073 120.400 0.036 0.000 2.218 49 D HA -0.133 4.507 4.640 0.000 0.000 0.204 49 D C 1.886 178.209 176.300 0.037 0.000 0.976 49 D CA 0.729 54.757 54.000 0.047 0.000 0.853 49 D CB -0.020 40.821 40.800 0.068 0.000 0.939 49 D HN 0.248 nan 8.370 nan 0.000 0.481 50 I N 1.333 121.914 120.570 0.019 0.000 2.202 50 I HA -0.187 3.983 4.170 0.000 0.000 0.242 50 I C 1.810 177.916 176.117 -0.019 0.000 1.091 50 I CA 1.139 62.433 61.300 -0.010 0.000 1.368 50 I CB -0.847 37.143 38.000 -0.017 0.000 1.058 50 I HN -0.013 nan 8.210 nan 0.000 0.410 51 D N 0.752 121.150 120.400 -0.003 0.000 2.104 51 D HA -0.145 4.495 4.640 0.000 0.000 0.194 51 D C 2.091 178.388 176.300 -0.005 0.000 0.994 51 D CA 1.809 55.807 54.000 -0.003 0.000 0.830 51 D CB -0.086 40.717 40.800 0.005 0.000 0.959 51 D HN 0.300 nan 8.370 nan 0.000 0.452 52 T N 0.380 114.936 114.554 0.003 0.000 2.788 52 T HA -0.099 4.251 4.350 0.000 0.000 0.268 52 T C 2.033 176.739 174.700 0.010 0.000 1.044 52 T CA 1.401 63.506 62.100 0.010 0.000 1.139 52 T CB -0.368 68.513 68.868 0.021 0.000 0.867 52 T HN 0.130 nan 8.240 nan 0.000 0.454 53 T N 2.034 116.582 114.554 -0.010 0.000 2.777 53 T HA 0.039 4.389 4.350 0.000 0.000 0.266 53 T C 2.043 176.666 174.700 -0.129 0.000 1.040 53 T CA 1.005 63.047 62.100 -0.096 0.000 1.141 53 T CB -0.327 68.422 68.868 -0.200 0.000 0.868 53 T HN 0.307 nan 8.240 nan 0.000 0.444 54 M N 0.549 120.097 119.600 -0.087 0.000 2.159 54 M HA -0.094 4.386 4.480 0.000 0.000 0.263 54 M C 2.317 178.596 176.300 -0.035 0.000 1.063 54 M CA 1.615 56.877 55.300 -0.063 0.000 1.110 54 M CB -0.277 32.303 32.600 -0.033 0.000 1.374 54 M HN 0.120 nan 8.290 nan 0.000 0.411 55 K N 0.279 120.668 120.400 -0.019 0.000 2.057 55 K HA -0.122 4.198 4.320 0.000 0.000 0.206 55 K C 1.952 178.554 176.600 0.003 0.000 1.050 55 K CA 1.116 57.400 56.287 -0.005 0.000 0.935 55 K CB -0.297 32.203 32.500 -0.000 0.000 0.715 55 K HN 0.331 nan 8.250 nan 0.000 0.439 56 L N 1.332 122.562 121.223 0.011 0.000 1.994 56 L HA -0.207 4.133 4.340 0.000 0.000 0.208 56 L C 2.155 179.044 176.870 0.032 0.000 1.071 56 L CA 1.265 56.133 54.840 0.047 0.000 0.745 56 L CB -0.189 41.936 42.059 0.110 0.000 0.892 56 L HN 0.198 nan 8.230 nan 0.000 0.431 57 L N -0.807 120.407 121.223 -0.015 0.000 2.042 57 L HA -0.253 4.087 4.340 0.000 0.000 0.210 57 L C 2.524 179.391 176.870 -0.006 0.000 1.076 57 L CA 1.919 56.749 54.840 -0.017 0.000 0.749 57 L CB -1.098 40.920 42.059 -0.069 0.000 0.893 57 L HN 0.321 nan 8.230 nan 0.000 0.432 58 T N -1.088 113.460 114.554 -0.010 0.000 2.684 58 T HA -0.306 4.044 4.350 0.000 0.000 0.267 58 T C 1.805 176.494 174.700 -0.018 0.000 1.036 58 T CA 1.752 63.847 62.100 -0.009 0.000 1.148 58 T CB -0.249 68.616 68.868 -0.005 0.000 0.863 58 T HN 0.252 nan 8.240 nan 0.000 0.436 59 Q N 0.772 120.566 119.800 -0.011 0.000 2.297 59 Q HA 0.009 4.349 4.340 0.000 0.000 0.208 59 Q C 1.757 177.727 176.000 -0.050 0.000 0.981 59 Q CA 1.284 57.076 55.803 -0.019 0.000 0.876 59 Q CB -0.628 28.114 28.738 0.006 0.000 0.921 59 Q HN 0.548 nan 8.270 nan 0.000 0.446 60 L N -1.742 119.452 121.223 -0.048 0.000 2.558 60 L HA 0.283 4.623 4.340 0.000 0.000 0.225 60 L C 1.157 177.929 176.870 -0.162 0.000 1.128 60 L CA 0.429 55.203 54.840 -0.111 0.000 0.868 60 L CB 0.067 42.101 42.059 -0.042 0.000 1.006 60 L HN 0.467 nan 8.230 nan 0.000 0.454 61 G N -0.154 108.588 108.800 -0.097 0.000 2.143 61 G HA2 -0.199 3.761 3.960 0.000 0.000 0.175 61 G HA3 -0.199 3.761 3.960 0.000 0.000 0.175 61 G C 0.163 175.043 174.900 -0.034 0.000 1.004 61 G CA -0.132 44.916 45.100 -0.086 0.000 0.671 61 G HN 0.195 nan 8.290 nan 0.000 0.512 62 T N 1.314 115.862 114.554 -0.010 0.000 2.889 62 T HA 0.498 4.848 4.350 0.000 0.000 0.291 62 T C 0.354 175.066 174.700 0.020 0.000 0.995 62 T CA -0.050 62.062 62.100 0.022 0.000 1.092 62 T CB 1.504 70.389 68.868 0.028 0.000 0.954 62 T HN 0.284 nan 8.240 nan 0.000 0.506 63 K N 2.188 122.609 120.400 0.035 0.000 2.248 63 K HA 0.557 4.877 4.320 0.000 0.000 0.281 63 K C -0.990 175.642 176.600 0.053 0.000 1.054 63 K CA -0.576 55.732 56.287 0.035 0.000 0.903 63 K CB 1.081 33.603 32.500 0.037 0.000 1.077 63 K HN 0.279 nan 8.250 nan 0.000 0.474 64 V N 3.243 123.186 119.914 0.048 0.000 2.638 64 V HA 0.360 4.480 4.120 0.000 0.000 0.306 64 V C -0.572 175.572 176.094 0.083 0.000 1.052 64 V CA -0.894 61.445 62.300 0.065 0.000 0.885 64 V CB 1.727 33.567 31.823 0.028 0.000 0.999 64 V HN 0.889 nan 8.190 nan 0.000 0.424 65 E N 4.205 124.495 120.200 0.150 0.000 2.392 65 E HA 0.812 5.162 4.350 0.000 0.000 0.279 65 E C -1.173 175.618 176.600 0.318 0.000 0.964 65 E CA -1.300 55.207 56.400 0.179 0.000 0.777 65 E CB 3.170 32.946 29.700 0.127 0.000 1.249 65 E HN 0.752 nan 8.360 nan 0.000 0.449 66 R N 0.100 120.763 120.500 0.271 0.000 2.831 66 R HA 0.409 4.749 4.340 0.000 0.000 0.266 66 R C -0.582 175.908 176.300 0.317 0.000 1.051 66 R CA -0.491 55.784 56.100 0.292 0.000 0.943 66 R CB 0.747 31.107 30.300 0.100 0.000 1.228 66 R HN 0.546 nan 8.270 nan 0.000 0.467 67 D N 0.387 120.954 120.400 0.278 0.000 2.230 67 D HA 0.073 4.713 4.640 0.000 0.000 0.274 67 D C 1.365 177.730 176.300 0.109 0.000 1.222 67 D CA 0.896 55.027 54.000 0.218 0.000 0.943 67 D CB -1.002 39.929 40.800 0.218 0.000 0.920 67 D HN 0.620 nan 8.370 nan 0.000 0.300 68 G N -1.054 107.763 108.800 0.028 0.000 2.744 68 G HA2 0.195 4.155 3.960 0.000 0.000 0.211 68 G HA3 0.195 4.155 3.960 0.000 0.000 0.211 68 G C 0.391 175.200 174.900 -0.151 0.000 1.146 68 G CA 0.156 45.231 45.100 -0.043 0.000 0.787 68 G HN 0.364 nan 8.290 nan 0.000 0.534 69 S N -1.048 114.468 115.700 -0.307 0.000 2.718 69 S HA 0.670 5.140 4.470 0.000 0.000 0.300 69 S C -0.832 173.386 174.600 -0.636 0.000 1.117 69 S CA -0.526 57.309 58.200 -0.609 0.000 1.002 69 S CB 2.437 64.958 63.200 -1.133 0.000 1.092 69 S HN -0.057 nan 8.310 nan 0.000 0.542 70 V N 1.740 121.299 119.914 -0.591 0.000 2.444 70 V HA 0.365 4.485 4.120 0.000 0.000 0.294 70 V C -1.092 174.799 176.094 -0.339 0.000 1.022 70 V CA -0.586 61.534 62.300 -0.300 0.000 0.850 70 V CB 1.194 32.913 31.823 -0.173 0.000 0.992 70 V HN 0.784 nan 8.190 nan 0.000 0.426 71 W N 5.569 126.866 121.300 -0.004 0.000 2.349 71 W HA 0.573 5.233 4.660 -0.000 0.000 0.309 71 W C -0.776 175.747 176.519 0.008 0.000 1.083 71 W CA -0.597 56.754 57.345 0.010 0.000 1.224 71 W CB 1.630 31.097 29.460 0.011 0.000 1.256 71 W HN 0.296 nan 8.180 nan 0.000 0.461 72 I N 3.267 123.950 120.570 0.188 0.000 2.474 72 I HA 0.173 4.343 4.170 0.000 0.000 0.294 72 I C -0.454 175.742 176.117 0.131 0.000 1.005 72 I CA -0.457 60.918 61.300 0.125 0.000 1.113 72 I CB 1.909 39.953 38.000 0.074 0.000 1.289 72 I HN 0.286 nan 8.210 nan 0.000 0.436 73 D N 5.300 125.764 120.400 0.107 0.000 2.421 73 D HA 0.507 5.147 4.640 0.000 0.000 0.254 73 D C -0.135 176.216 176.300 0.085 0.000 1.238 73 D CA -0.303 53.754 54.000 0.095 0.000 0.919 73 D CB 1.781 42.630 40.800 0.081 0.000 1.152 73 D HN 0.609 nan 8.370 nan 0.000 0.552 74 A N 2.610 125.490 122.820 0.100 0.000 2.545 74 A HA 0.167 4.487 4.320 0.000 0.000 0.277 74 A C 1.649 179.319 177.584 0.144 0.000 1.301 74 A CA 0.269 52.379 52.037 0.121 0.000 0.935 74 A CB -0.205 18.883 19.000 0.147 0.000 1.093 74 A HN 0.461 nan 8.150 nan 0.000 0.519 75 S N -0.076 115.690 115.700 0.110 0.000 2.442 75 S HA -0.138 4.332 4.470 0.000 0.000 0.236 75 S C 0.863 175.542 174.600 0.132 0.000 1.007 75 S CA 1.643 59.910 58.200 0.111 0.000 0.965 75 S CB -0.435 62.811 63.200 0.077 0.000 0.773 75 S HN 0.584 nan 8.310 nan 0.000 0.504 76 N N 0.491 119.254 118.700 0.105 0.000 2.275 76 N HA 0.324 5.064 4.740 0.000 0.000 0.236 76 N C -1.030 174.498 175.510 0.030 0.000 1.154 76 N CA -0.153 52.944 53.050 0.077 0.000 0.866 76 N CB 1.096 39.606 38.487 0.037 0.000 1.093 76 N HN 0.108 nan 8.380 nan 0.000 0.515 77 V N 2.345 122.297 119.914 0.064 0.000 2.584 77 V HA -0.090 4.030 4.120 0.000 0.000 0.303 77 V C 0.949 176.836 176.094 -0.344 0.000 1.035 77 V CA 0.958 63.198 62.300 -0.100 0.000 1.172 77 V CB 0.025 31.866 31.823 0.029 0.000 0.896 77 V HN 0.635 nan 8.190 nan 0.000 0.486 78 N N 2.053 120.449 118.700 -0.506 0.000 2.142 78 N HA 0.146 4.886 4.740 0.000 0.000 0.233 78 N C -0.149 174.724 175.510 -1.061 0.000 1.335 78 N CA -0.512 52.141 53.050 -0.662 0.000 0.837 78 N CB 0.443 38.761 38.487 -0.282 0.000 1.238 78 N HN 0.593 nan 8.380 nan 0.000 0.501 79 N N 0.388 118.410 118.700 -1.129 0.000 2.295 79 N HA 0.347 5.087 4.740 0.000 0.000 0.293 79 N C -1.521 173.413 175.510 -0.960 0.000 1.040 79 N CA -0.693 51.806 53.050 -0.918 0.000 0.840 79 N CB 1.124 39.372 38.487 -0.397 0.000 1.468 79 N HN 0.098 nan 8.380 nan 0.000 0.478 80 F N 0.547 120.427 119.950 -0.117 0.000 2.791 80 F HA 0.391 4.918 4.527 0.000 0.000 0.308 80 F C 0.704 176.485 175.800 -0.031 0.000 1.138 80 F CA -0.613 57.338 58.000 -0.081 0.000 1.294 80 F CB 0.356 39.301 39.000 -0.092 0.000 0.975 80 F HN 0.305 nan 8.300 nan 0.000 0.512 81 S N 1.365 117.096 115.700 0.052 0.000 2.519 81 S HA 0.813 5.283 4.470 0.000 0.000 0.309 81 S C -0.485 174.192 174.600 0.128 0.000 1.100 81 S CA -0.456 57.781 58.200 0.062 0.000 1.059 81 S CB 1.080 64.247 63.200 -0.055 0.000 1.008 81 S HN 0.223 nan 8.310 nan 0.000 0.478 82 A N 6.995 129.943 122.820 0.213 0.000 2.280 82 A HA 0.664 4.984 4.320 0.000 0.000 0.320 82 A C -2.465 175.277 177.584 0.264 0.000 1.366 82 A CA -1.701 50.451 52.037 0.193 0.000 0.938 82 A CB 0.133 19.231 19.000 0.164 0.000 1.157 82 A HN 0.694 nan 8.150 nan 0.000 0.536 83 P HA -0.003 nan 4.420 nan 0.000 0.274 83 P C 0.408 177.766 177.300 0.097 0.000 1.237 83 P CA -0.130 63.103 63.100 0.221 0.000 0.793 83 P CB 0.674 32.491 31.700 0.194 0.000 0.977 84 Y N 2.665 122.919 120.300 -0.077 0.000 2.102 84 Y HA -0.319 4.231 4.550 -0.000 0.000 0.280 84 Y C 1.979 177.851 175.900 -0.047 0.000 1.178 84 Y CA 2.669 60.706 58.100 -0.104 0.000 1.146 84 Y CB -0.756 37.625 38.460 -0.131 0.000 0.968 84 Y HN 0.354 nan 8.280 nan 0.000 0.504 85 D N 0.145 120.595 120.400 0.083 0.000 2.182 85 D HA -0.231 4.409 4.640 0.000 0.000 0.201 85 D C 1.885 178.133 176.300 -0.086 0.000 0.986 85 D CA 1.772 55.772 54.000 -0.000 0.000 0.847 85 D CB -0.635 40.218 40.800 0.088 0.000 0.942 85 D HN 0.493 nan 8.370 nan 0.000 0.467 86 L N 0.605 121.796 121.223 -0.052 0.000 2.513 86 L HA 0.055 4.395 4.340 0.000 0.000 0.222 86 L C 2.277 179.110 176.870 -0.062 0.000 1.096 86 L CA 0.137 54.954 54.840 -0.038 0.000 0.857 86 L CB 0.345 42.412 42.059 0.014 0.000 1.026 86 L HN 0.005 nan 8.230 nan 0.000 0.469 87 V N -3.000 116.841 119.914 -0.122 0.000 3.643 87 V HA 0.023 4.143 4.120 0.000 0.000 0.280 87 V C 2.188 178.152 176.094 -0.215 0.000 1.351 87 V CA 0.272 62.498 62.300 -0.123 0.000 1.073 87 V CB -0.120 31.648 31.823 -0.093 0.000 0.863 87 V HN 0.427 nan 8.190 nan 0.000 0.436 88 K N 2.539 122.708 120.400 -0.385 0.000 2.160 88 K HA -0.183 4.138 4.320 0.000 0.000 0.206 88 K C 1.758 178.216 176.600 -0.235 0.000 1.047 88 K CA 2.281 58.295 56.287 -0.454 0.000 0.930 88 K CB -1.103 30.924 32.500 -0.788 0.000 0.720 88 K HN 0.642 nan 8.250 nan 0.000 0.450 89 T N -2.208 112.246 114.554 -0.167 0.000 3.107 89 T HA 0.197 4.547 4.350 0.000 0.000 0.249 89 T C 0.498 175.157 174.700 -0.068 0.000 1.096 89 T CA -0.400 61.642 62.100 -0.097 0.000 1.012 89 T CB 0.003 68.829 68.868 -0.069 0.000 0.977 89 T HN 0.266 nan 8.240 nan 0.000 0.527 90 M N 1.129 120.681 119.600 -0.081 0.000 2.164 90 M HA 0.443 4.923 4.480 0.000 0.000 0.260 90 M C -0.040 176.194 176.300 -0.109 0.000 0.974 90 M CA -0.842 54.421 55.300 -0.061 0.000 1.020 90 M CB 1.430 34.029 32.600 -0.002 0.000 1.903 90 M HN -0.236 nan 8.290 nan 0.000 0.469 91 R N 1.869 122.280 120.500 -0.147 0.000 2.148 91 R HA 0.087 4.427 4.340 0.000 0.000 0.227 91 R C 1.665 177.753 176.300 -0.353 0.000 1.103 91 R CA 1.357 57.324 56.100 -0.222 0.000 0.983 91 R CB -0.753 29.422 30.300 -0.207 0.000 0.874 91 R HN 0.827 nan 8.270 nan 0.000 0.451 92 A N 1.245 123.853 122.820 -0.354 0.000 2.186 92 A HA -0.161 4.159 4.320 0.000 0.000 0.219 92 A C 2.091 179.350 177.584 -0.542 0.000 1.159 92 A CA 1.595 53.281 52.037 -0.585 0.000 0.680 92 A CB -0.593 18.244 19.000 -0.272 0.000 0.787 92 A HN 0.439 nan 8.150 nan 0.000 0.467 93 S N -0.178 115.339 115.700 -0.305 0.000 2.465 93 S HA -0.178 4.292 4.470 0.000 0.000 0.241 93 S C 1.633 175.975 174.600 -0.431 0.000 1.000 93 S CA 1.230 59.276 58.200 -0.257 0.000 0.964 93 S CB -0.612 62.560 63.200 -0.048 0.000 0.763 93 S HN 0.513 nan 8.310 nan 0.000 0.512 94 I N 0.761 121.028 120.570 -0.506 0.000 2.567 94 I HA 0.010 4.180 4.170 0.000 0.000 0.257 94 I C 1.546 177.406 176.117 -0.429 0.000 1.184 94 I CA 0.484 61.497 61.300 -0.480 0.000 1.451 94 I CB -0.618 36.975 38.000 -0.679 0.000 1.089 94 I HN 0.344 nan 8.210 nan 0.000 0.441 95 W N 0.586 121.477 121.300 -0.681 0.000 2.721 95 W HA 0.044 4.704 4.660 0.000 0.000 0.245 95 W C 2.294 178.532 176.519 -0.469 0.000 1.276 95 W CA 0.763 57.751 57.345 -0.596 0.000 1.342 95 W CB -1.096 27.940 29.460 -0.707 0.000 1.135 95 W HN 0.317 nan 8.180 nan 0.000 0.654 96 A N -0.662 122.011 122.820 -0.245 0.000 2.072 96 A HA -0.025 4.295 4.320 0.000 0.000 0.216 96 A C 1.930 179.608 177.584 0.158 0.000 1.156 96 A CA 0.608 52.737 52.037 0.153 0.000 0.701 96 A CB -0.458 18.703 19.000 0.268 0.000 0.816 96 A HN 0.133 nan 8.150 nan 0.000 0.458 97 L N 0.161 121.431 121.223 0.079 0.000 1.994 97 L HA -0.013 4.327 4.340 0.000 0.000 0.208 97 L C 2.482 179.428 176.870 0.126 0.000 1.071 97 L CA 2.293 57.194 54.840 0.100 0.000 0.745 97 L CB -1.028 41.063 42.059 0.053 0.000 0.892 97 L HN 0.314 nan 8.230 nan 0.000 0.431 98 G N -0.653 108.227 108.800 0.133 0.000 2.491 98 G HA2 -0.231 3.729 3.960 0.000 0.000 0.218 98 G HA3 -0.231 3.729 3.960 0.000 0.000 0.218 98 G C -0.639 174.334 174.900 0.122 0.000 1.180 98 G CA 1.008 46.184 45.100 0.126 0.000 0.774 98 G HN 0.361 nan 8.290 nan 0.000 0.562 99 P HA -0.044 nan 4.420 nan 0.000 0.215 99 P C 2.090 179.509 177.300 0.199 0.000 1.153 99 P CA 0.753 63.947 63.100 0.157 0.000 0.853 99 P CB -0.120 31.704 31.700 0.207 0.000 0.788 100 L N -1.458 119.930 121.223 0.275 0.000 2.046 100 L HA -0.138 4.202 4.340 0.000 0.000 0.208 100 L C 2.338 179.360 176.870 0.254 0.000 1.077 100 L CA 1.284 56.365 54.840 0.401 0.000 0.747 100 L CB -1.057 41.217 42.059 0.359 0.000 0.896 100 L HN -0.118 nan 8.230 nan 0.000 0.432 101 V N 0.029 120.028 119.914 0.141 0.000 2.307 101 V HA -0.232 3.888 4.120 0.000 0.000 0.245 101 V C 2.732 178.846 176.094 0.033 0.000 1.045 101 V CA 1.751 64.092 62.300 0.070 0.000 1.024 101 V CB -0.761 31.098 31.823 0.061 0.000 0.651 101 V HN 0.459 nan 8.190 nan 0.000 0.449 102 A N -0.191 122.647 122.820 0.030 0.000 1.930 102 A HA -0.222 4.098 4.320 0.000 0.000 0.217 102 A C 2.398 179.929 177.584 -0.087 0.000 1.175 102 A CA 2.071 54.098 52.037 -0.017 0.000 0.627 102 A CB -0.421 18.575 19.000 -0.007 0.000 0.815 102 A HN 0.501 nan 8.150 nan 0.000 0.443 103 R N -2.360 118.048 120.500 -0.153 0.000 2.128 103 R HA 0.154 4.494 4.340 0.000 0.000 0.211 103 R C 1.037 176.991 176.300 -0.577 0.000 1.067 103 R CA 0.966 56.809 56.100 -0.429 0.000 1.010 103 R CB -0.034 29.862 30.300 -0.674 0.000 0.922 103 R HN 0.477 nan 8.270 nan 0.000 0.457 104 F N -1.508 118.412 119.950 -0.050 0.000 2.724 104 F HA 0.401 4.928 4.527 0.000 0.000 0.306 104 F C 1.429 177.098 175.800 -0.219 0.000 1.100 104 F CA 0.386 58.293 58.000 -0.154 0.000 1.255 104 F CB 1.495 40.315 39.000 -0.300 0.000 1.072 104 F HN 0.286 nan 8.300 nan 0.000 0.589 105 G N 0.209 109.000 108.800 -0.015 0.000 2.213 105 G HA2 -0.167 3.793 3.960 0.000 0.000 0.226 105 G HA3 -0.167 3.793 3.960 0.000 0.000 0.226 105 G C -0.162 174.699 174.900 -0.066 0.000 0.992 105 G CA 0.262 45.334 45.100 -0.047 0.000 0.632 105 G HN 0.370 nan 8.290 nan 0.000 0.511 106 Q N -0.865 118.867 119.800 -0.113 0.000 2.633 106 Q HA 0.761 5.101 4.340 0.000 0.000 0.289 106 Q C -0.209 175.753 176.000 -0.064 0.000 0.940 106 Q CA -0.262 55.481 55.803 -0.099 0.000 0.785 106 Q CB 1.013 29.671 28.738 -0.134 0.000 1.467 106 Q HN 1.770 nan 8.270 nan 0.000 0.401 107 G N -0.085 108.730 108.800 0.025 0.000 2.489 107 G HA2 0.615 4.575 3.960 0.000 0.000 0.291 107 G HA3 0.615 4.575 3.960 0.000 0.000 0.291 107 G C -2.102 172.854 174.900 0.093 0.000 1.487 107 G CA -0.630 44.539 45.100 0.115 0.000 0.795 107 G HN 0.881 nan 8.290 nan 0.000 0.513 108 Q N -0.935 118.934 119.800 0.115 0.000 2.320 108 Q HA 0.683 5.023 4.340 0.000 0.000 0.272 108 Q C -1.932 174.209 176.000 0.234 0.000 1.023 108 Q CA -1.053 54.825 55.803 0.124 0.000 0.855 108 Q CB 2.604 31.336 28.738 -0.010 0.000 1.367 108 Q HN 0.542 nan 8.270 nan 0.000 0.406 109 V N 1.785 121.861 119.914 0.270 0.000 2.487 109 V HA 0.389 4.509 4.120 0.000 0.000 0.298 109 V C -0.011 176.194 176.094 0.184 0.000 1.028 109 V CA -0.634 61.797 62.300 0.219 0.000 0.860 109 V CB 1.764 33.622 31.823 0.058 0.000 0.991 109 V HN 0.920 nan 8.190 nan 0.000 0.427 110 S N 5.519 121.232 115.700 0.022 0.000 2.552 110 S HA 0.273 4.743 4.470 0.000 0.000 0.289 110 S C -0.549 173.953 174.600 -0.164 0.000 1.304 110 S CA 0.030 57.999 58.200 -0.386 0.000 1.063 110 S CB 0.030 63.031 63.200 -0.332 0.000 0.848 110 S HN 0.659 nan 8.310 nan 0.000 0.499 111 L N 7.287 128.417 121.223 -0.156 0.000 2.406 111 L HA 0.513 4.853 4.340 0.000 0.000 0.270 111 L C -2.305 174.537 176.870 -0.045 0.000 0.982 111 L CA -2.122 52.668 54.840 -0.084 0.000 0.843 111 L CB 2.214 44.236 42.059 -0.062 0.000 1.225 111 L HN 0.600 nan 8.230 nan 0.000 0.412 112 P HA 0.314 nan 4.420 nan 0.000 0.281 112 P C 0.396 177.694 177.300 -0.003 0.000 1.252 112 P CA 0.392 63.515 63.100 0.038 0.000 0.778 112 P CB 1.705 33.450 31.700 0.077 0.000 0.895 113 G N 1.636 110.433 108.800 -0.005 0.000 2.255 113 G HA2 0.040 4.000 3.960 0.000 0.000 0.196 113 G HA3 0.040 4.000 3.960 0.000 0.000 0.196 113 G C 0.539 175.430 174.900 -0.016 0.000 0.998 113 G CA 0.386 45.478 45.100 -0.013 0.000 0.656 113 G HN 0.921 nan 8.290 nan 0.000 0.490 117 I N 1.383 121.970 120.570 0.028 0.000 2.480 117 I HA 0.096 4.266 4.170 0.000 0.000 0.251 117 I C 1.667 177.811 176.117 0.045 0.000 1.124 117 I CA 1.231 62.553 61.300 0.037 0.000 1.444 117 I CB 0.043 38.061 38.000 0.029 0.000 1.098 117 I HN 0.848 nan 8.210 nan 0.000 0.428 118 G N 0.613 109.434 108.800 0.034 0.000 2.594 118 G HA2 0.382 4.342 3.960 0.000 0.000 0.243 118 G HA3 0.382 4.342 3.960 0.000 0.000 0.243 118 G C -0.132 174.796 174.900 0.045 0.000 1.229 118 G CA 0.008 45.130 45.100 0.037 0.000 0.843 118 G HN 0.421 nan 8.290 nan 0.000 0.578 119 A N 1.365 124.219 122.820 0.056 0.000 2.462 119 A HA 0.631 4.951 4.320 0.000 0.000 0.243 119 A C 0.699 178.298 177.584 0.025 0.000 1.076 119 A CA 0.136 52.211 52.037 0.064 0.000 0.773 119 A CB 0.341 19.392 19.000 0.085 0.000 1.010 119 A HN 0.774 nan 8.150 nan 0.000 0.493 120 R N 1.640 122.138 120.500 -0.004 0.000 2.799 120 R HA 0.416 4.756 4.340 0.000 0.000 0.270 120 R C -2.316 173.955 176.300 -0.049 0.000 1.010 120 R CA -1.619 54.465 56.100 -0.027 0.000 0.916 120 R CB 0.884 31.161 30.300 -0.038 0.000 1.228 120 R HN 0.355 nan 8.270 nan 0.000 0.469 121 P HA -0.191 nan 4.420 nan 0.000 0.216 121 P C 1.091 178.390 177.300 -0.003 0.000 1.153 121 P CA 1.049 64.135 63.100 -0.023 0.000 0.858 121 P CB 0.194 31.873 31.700 -0.034 0.000 0.789 122 V N 0.376 120.262 119.914 -0.048 0.000 2.469 122 V HA -0.259 3.861 4.120 0.000 0.000 0.251 122 V C 1.827 177.848 176.094 -0.123 0.000 1.064 122 V CA 2.097 64.364 62.300 -0.054 0.000 1.066 122 V CB -1.369 30.386 31.823 -0.113 0.000 0.667 122 V HN 0.146 nan 8.190 nan 0.000 0.461 123 D N 0.241 120.468 120.400 -0.288 0.000 2.182 123 D HA -0.147 4.493 4.640 0.000 0.000 0.201 123 D C 2.110 177.816 176.300 -0.990 0.000 0.986 123 D CA 1.127 54.671 54.000 -0.759 0.000 0.847 123 D CB -0.185 40.143 40.800 -0.785 0.000 0.942 123 D HN 0.380 nan 8.370 nan 0.000 0.467 124 L N 0.338 121.295 121.223 -0.443 0.000 2.141 124 L HA -0.153 4.187 4.340 0.000 0.000 0.209 124 L C 2.462 179.196 176.870 -0.227 0.000 1.094 124 L CA 0.967 55.651 54.840 -0.261 0.000 0.763 124 L CB -0.209 41.745 42.059 -0.176 0.000 0.908 124 L HN 0.182 nan 8.230 nan 0.000 0.437 125 H N -0.581 118.402 119.070 -0.145 0.000 2.363 125 H HA -0.088 4.468 4.556 0.000 0.000 0.301 125 H C 2.390 177.685 175.328 -0.055 0.000 1.074 125 H CA 1.598 57.610 56.048 -0.060 0.000 1.354 125 H CB 0.094 29.810 29.762 -0.077 0.000 1.397 125 H HN 0.343 nan 8.280 nan 0.000 0.516 126 I N 0.533 121.085 120.570 -0.030 0.000 2.179 126 I HA -0.271 3.899 4.170 0.000 0.000 0.242 126 I C 2.145 178.325 176.117 0.104 0.000 1.088 126 I CA 1.055 62.342 61.300 -0.022 0.000 1.357 126 I CB -0.312 37.613 38.000 -0.125 0.000 1.051 126 I HN 0.033 nan 8.210 nan 0.000 0.409 127 F N 1.072 121.046 119.950 0.040 0.000 2.171 127 F HA -0.085 4.442 4.527 0.000 0.000 0.300 127 F C 2.559 178.372 175.800 0.023 0.000 1.090 127 F CA 1.052 59.066 58.000 0.024 0.000 1.293 127 F CB -1.849 37.158 39.000 0.012 0.000 1.013 127 F HN 0.030 nan 8.300 nan 0.000 0.486 128 G N -0.036 108.879 108.800 0.191 0.000 2.408 128 G HA2 -0.153 3.807 3.960 0.000 0.000 0.217 128 G HA3 -0.153 3.807 3.960 0.000 0.000 0.217 128 G C 1.811 176.773 174.900 0.104 0.000 1.150 128 G CA 0.437 45.608 45.100 0.119 0.000 0.776 128 G HN 0.336 nan 8.290 nan 0.000 0.542 129 L N -0.078 121.210 121.223 0.108 0.000 2.217 129 L HA 0.036 4.376 4.340 0.000 0.000 0.211 129 L C 2.767 179.689 176.870 0.086 0.000 1.107 129 L CA 0.761 55.655 54.840 0.091 0.000 0.783 129 L CB -0.236 41.877 42.059 0.090 0.000 0.919 129 L HN 0.297 nan 8.230 nan 0.000 0.442 130 E N -0.288 119.978 120.200 0.111 0.000 2.072 130 E HA -0.171 4.179 4.350 0.000 0.000 0.190 130 E C 2.037 178.680 176.600 0.071 0.000 0.982 130 E CA 0.468 56.926 56.400 0.096 0.000 0.803 130 E CB 0.135 29.914 29.700 0.131 0.000 0.755 130 E HN 0.130 nan 8.360 nan 0.000 0.453 131 K N 0.891 121.337 120.400 0.078 0.000 2.147 131 K HA -0.084 4.236 4.320 0.000 0.000 0.205 131 K C 1.759 178.387 176.600 0.047 0.000 1.049 131 K CA 0.860 57.180 56.287 0.056 0.000 0.936 131 K CB -0.147 32.391 32.500 0.064 0.000 0.722 131 K HN 0.197 nan 8.250 nan 0.000 0.446 132 L N -0.487 120.766 121.223 0.050 0.000 2.627 132 L HA 0.062 4.402 4.340 0.000 0.000 0.233 132 L C 0.978 177.867 176.870 0.030 0.000 1.144 132 L CA 0.520 55.383 54.840 0.037 0.000 0.892 132 L CB -0.119 41.962 42.059 0.038 0.000 1.039 132 L HN 0.358 nan 8.230 nan 0.000 0.442 133 G N -0.168 108.652 108.800 0.034 0.000 2.144 133 G HA2 -0.201 3.759 3.960 0.000 0.000 0.218 133 G HA3 -0.201 3.759 3.960 0.000 0.000 0.218 133 G C 0.266 175.183 174.900 0.028 0.000 0.988 133 G CA -0.053 45.063 45.100 0.027 0.000 0.659 133 G HN 0.465 nan 8.290 nan 0.000 0.522 134 A N -0.380 122.464 122.820 0.039 0.000 2.286 134 A HA 0.773 5.093 4.320 0.000 0.000 0.286 134 A C 0.192 177.802 177.584 0.043 0.000 1.097 134 A CA -0.174 51.886 52.037 0.039 0.000 0.821 134 A CB 0.723 19.751 19.000 0.047 0.000 1.076 134 A HN 0.370 nan 8.150 nan 0.000 0.490 135 E N 0.360 120.582 120.200 0.037 0.000 2.133 135 E HA 0.558 4.908 4.350 0.000 0.000 0.274 135 E C -1.228 175.399 176.600 0.045 0.000 0.930 135 E CA -0.054 56.369 56.400 0.038 0.000 0.770 135 E CB 1.170 30.886 29.700 0.027 0.000 1.104 135 E HN 0.538 nan 8.360 nan 0.000 0.403 136 I N 3.698 124.301 120.570 0.056 0.000 2.689 136 I HA 0.429 4.599 4.170 0.000 0.000 0.299 136 I C -0.589 175.562 176.117 0.057 0.000 1.059 136 I CA -0.824 60.510 61.300 0.058 0.000 1.055 136 I CB 1.901 39.942 38.000 0.068 0.000 1.243 136 I HN 0.428 nan 8.210 nan 0.000 0.425 137 K N 4.475 124.907 120.400 0.053 0.000 2.556 137 K HA 0.693 5.013 4.320 0.000 0.000 0.274 137 K C -2.100 174.533 176.600 0.055 0.000 0.966 137 K CA -0.967 55.350 56.287 0.051 0.000 0.865 137 K CB 2.066 34.593 32.500 0.044 0.000 1.444 137 K HN 0.223 nan 8.250 nan 0.000 0.433 138 L N 2.008 123.262 121.223 0.052 0.000 2.313 138 L HA 0.462 4.802 4.340 0.000 0.000 0.283 138 L C -1.005 175.902 176.870 0.061 0.000 1.013 138 L CA 0.284 55.159 54.840 0.058 0.000 0.816 138 L CB 1.216 43.298 42.059 0.039 0.000 1.236 138 L HN 0.886 nan 8.230 nan 0.000 0.419 139 E N 1.488 121.740 120.200 0.088 0.000 2.378 139 E HA 0.447 4.797 4.350 0.000 0.000 0.283 139 E C -0.784 175.896 176.600 0.133 0.000 0.979 139 E CA -0.803 55.647 56.400 0.083 0.000 0.795 139 E CB 1.113 30.851 29.700 0.064 0.000 1.221 139 E HN 0.484 nan 8.360 nan 0.000 0.428 140 E N 0.655 120.918 120.200 0.104 0.000 2.971 140 E HA -0.299 4.051 4.350 0.000 0.000 0.278 140 E C 0.752 177.434 176.600 0.136 0.000 1.009 140 E CA 0.896 57.376 56.400 0.135 0.000 0.862 140 E CB -1.608 28.205 29.700 0.188 0.000 1.436 140 E HN 1.236 nan 8.360 nan 0.000 0.434 141 G N -1.407 107.421 108.800 0.047 0.000 2.176 141 G HA2 -0.352 3.608 3.960 0.000 0.000 0.253 141 G HA3 -0.352 3.608 3.960 0.000 0.000 0.253 141 G C -0.202 174.600 174.900 -0.163 0.000 0.979 141 G CA 0.561 45.612 45.100 -0.083 0.000 0.641 141 G HN 0.295 nan 8.290 nan 0.000 0.530 142 Y N -1.017 119.296 120.300 0.020 0.000 2.446 142 Y HA 0.602 5.152 4.550 0.000 0.000 0.338 142 Y C 0.478 176.386 175.900 0.014 0.000 1.055 142 Y CA -0.706 57.408 58.100 0.023 0.000 1.101 142 Y CB 2.192 40.669 38.460 0.030 0.000 1.221 142 Y HN 0.253 nan 8.280 nan 0.000 0.460 143 V N 4.573 124.592 119.914 0.175 0.000 2.406 143 V HA 0.390 4.510 4.120 0.000 0.000 0.272 143 V C -0.893 175.278 176.094 0.127 0.000 1.043 143 V CA -0.580 61.782 62.300 0.103 0.000 0.915 143 V CB 0.259 32.107 31.823 0.042 0.000 0.988 143 V HN 0.723 nan 8.190 nan 0.000 0.466 144 K N 6.255 126.712 120.400 0.095 0.000 2.307 144 K HA 0.793 5.113 4.320 0.000 0.000 0.263 144 K C -0.540 176.091 176.600 0.051 0.000 0.973 144 K CA -0.324 56.003 56.287 0.067 0.000 0.846 144 K CB 2.040 34.566 32.500 0.044 0.000 1.100 144 K HN 0.827 nan 8.250 nan 0.000 0.438 145 A N 1.758 124.607 122.820 0.047 0.000 2.355 145 A HA 0.802 5.122 4.320 0.000 0.000 0.324 145 A C -0.691 176.907 177.584 0.025 0.000 1.117 145 A CA -0.604 51.458 52.037 0.042 0.000 0.785 145 A CB 1.277 20.309 19.000 0.054 0.000 1.254 145 A HN 0.724 nan 8.150 nan 0.000 0.453 146 S N -0.567 115.145 115.700 0.020 0.000 2.587 146 S HA 0.738 5.208 4.470 0.000 0.000 0.269 146 S C -1.420 173.185 174.600 0.007 0.000 1.154 146 S CA -0.402 57.800 58.200 0.003 0.000 0.824 146 S CB 1.179 64.375 63.200 -0.008 0.000 1.118 146 S HN 2.141 nan 8.310 nan 0.000 0.462 147 V N 0.950 120.862 119.914 -0.003 0.000 2.891 147 V HA 0.530 4.650 4.120 0.000 0.000 0.304 147 V C -1.714 174.376 176.094 -0.008 0.000 1.171 147 V CA -0.792 61.508 62.300 0.000 0.000 0.943 147 V CB 1.950 33.775 31.823 0.004 0.000 1.037 147 V HN 1.053 nan 8.190 nan 0.000 0.427 148 N N 5.138 123.835 118.700 -0.004 0.000 2.401 148 N HA 0.602 5.342 4.740 0.000 0.000 0.255 148 N C 0.433 175.938 175.510 -0.008 0.000 1.110 148 N CA 0.630 53.677 53.050 -0.006 0.000 0.949 148 N CB 1.199 39.684 38.487 -0.003 0.000 1.110 148 N HN 1.353 nan 8.380 nan 0.000 0.490 149 G N 1.497 110.290 108.800 -0.012 0.000 2.499 149 G HA2 -0.286 3.674 3.960 0.000 0.000 0.232 149 G HA3 -0.286 3.674 3.960 0.000 0.000 0.232 149 G C -0.469 174.420 174.900 -0.018 0.000 1.251 149 G CA -0.666 44.426 45.100 -0.013 0.000 0.917 149 G HN 0.605 nan 8.290 nan 0.000 0.580 150 R N -0.542 119.947 120.500 -0.018 0.000 2.549 150 R HA 0.655 4.995 4.340 0.000 0.000 0.267 150 R C 0.848 177.140 176.300 -0.014 0.000 1.045 150 R CA -0.776 55.310 56.100 -0.023 0.000 1.115 150 R CB 0.280 30.564 30.300 -0.026 0.000 1.121 150 R HN 0.514 nan 8.270 nan 0.000 0.543 151 L N 2.083 123.298 121.223 -0.012 0.000 2.476 151 L HA 0.158 4.498 4.340 0.000 0.000 0.264 151 L C -0.149 176.719 176.870 -0.003 0.000 1.224 151 L CA 0.211 55.050 54.840 -0.002 0.000 0.821 151 L CB 0.383 42.444 42.059 0.003 0.000 1.101 151 L HN 0.483 nan 8.230 nan 0.000 0.488 152 K N 0.445 120.847 120.400 0.003 0.000 2.345 152 K HA 0.414 4.734 4.320 0.000 0.000 0.255 152 K C -0.104 176.499 176.600 0.005 0.000 0.934 152 K CA -0.366 55.922 56.287 0.002 0.000 0.801 152 K CB 1.850 34.353 32.500 0.005 0.000 1.137 152 K HN 0.590 nan 8.250 nan 0.000 0.424 153 G N 1.080 109.879 108.800 -0.001 0.000 2.484 153 G HA2 0.434 4.394 3.960 0.000 0.000 0.235 153 G HA3 0.434 4.394 3.960 0.000 0.000 0.235 153 G C -0.653 174.253 174.900 0.010 0.000 1.282 153 G CA 0.121 45.220 45.100 -0.002 0.000 0.857 153 G HN 0.632 nan 8.290 nan 0.000 0.571 154 A N 1.101 123.931 122.820 0.017 0.000 2.602 154 A HA 0.663 4.983 4.320 0.000 0.000 0.290 154 A C -1.053 176.572 177.584 0.069 0.000 1.114 154 A CA -0.742 51.322 52.037 0.045 0.000 0.683 154 A CB 1.025 20.055 19.000 0.050 0.000 1.281 154 A HN 0.955 nan 8.150 nan 0.000 0.416 155 H N 0.455 119.526 119.070 0.001 0.000 2.640 155 H HA 0.636 5.192 4.556 0.000 0.000 0.297 155 H C -0.927 174.403 175.328 0.002 0.000 1.073 155 H CA -0.357 55.691 56.048 0.001 0.000 1.305 155 H CB 0.268 30.029 29.762 -0.002 0.000 1.404 155 H HN 0.469 nan 8.280 nan 0.000 0.459 156 I N 6.122 126.837 120.570 0.243 0.000 2.378 156 I HA 0.181 4.351 4.170 0.000 0.000 0.291 156 I C -0.640 175.557 176.117 0.134 0.000 0.992 156 I CA -0.962 60.420 61.300 0.137 0.000 1.154 156 I CB 1.880 39.932 38.000 0.087 0.000 1.315 156 I HN 0.329 nan 8.210 nan 0.000 0.448 157 V N 7.013 126.968 119.914 0.067 0.000 2.357 157 V HA 0.316 4.436 4.120 0.000 0.000 0.284 157 V C 0.058 176.172 176.094 0.033 0.000 1.018 157 V CA -0.510 61.815 62.300 0.042 0.000 0.841 157 V CB 1.496 33.313 31.823 -0.009 0.000 0.991 157 V HN 0.640 nan 8.190 nan 0.000 0.437 158 M N 4.297 123.920 119.600 0.039 0.000 2.146 158 M HA 0.244 4.724 4.480 0.000 0.000 0.352 158 M C 1.045 177.360 176.300 0.026 0.000 1.343 158 M CA -0.256 55.066 55.300 0.036 0.000 1.115 158 M CB 0.846 33.467 32.600 0.034 0.000 1.657 158 M HN 0.773 nan 8.290 nan 0.000 0.471 159 D N 2.527 122.943 120.400 0.027 0.000 2.097 159 D HA -0.078 4.562 4.640 0.000 0.000 0.197 159 D C -0.309 176.002 176.300 0.018 0.000 0.984 159 D CA 1.480 55.491 54.000 0.019 0.000 0.826 159 D CB -0.040 40.774 40.800 0.023 0.000 0.973 159 D HN 0.408 nan 8.370 nan 0.000 0.460 160 K N 0.080 120.495 120.400 0.025 0.000 2.371 160 K HA 0.491 4.811 4.320 0.000 0.000 0.251 160 K C -1.158 175.451 176.600 0.015 0.000 0.934 160 K CA -0.984 55.312 56.287 0.016 0.000 0.798 160 K CB 3.367 35.879 32.500 0.020 0.000 1.204 160 K HN -0.195 nan 8.250 nan 0.000 0.427 161 V N 2.086 122.004 119.914 0.007 0.000 2.493 161 V HA 0.031 4.151 4.120 0.000 0.000 0.292 161 V C 0.116 176.217 176.094 0.012 0.000 1.016 161 V CA 0.319 62.624 62.300 0.010 0.000 1.097 161 V CB 0.759 32.584 31.823 0.004 0.000 0.947 161 V HN 0.740 nan 8.190 nan 0.000 0.479 162 S N 4.049 119.759 115.700 0.017 0.000 2.776 162 S HA 0.365 4.835 4.470 0.000 0.000 0.284 162 S C 0.438 175.065 174.600 0.045 0.000 1.160 162 S CA -0.635 57.577 58.200 0.020 0.000 1.051 162 S CB 1.724 64.914 63.200 -0.018 0.000 1.037 162 S HN 0.358 nan 8.310 nan 0.000 0.485 163 V N 5.373 125.338 119.914 0.085 0.000 2.343 163 V HA -0.042 4.078 4.120 0.000 0.000 0.247 163 V C 2.681 178.926 176.094 0.253 0.000 1.051 163 V CA 2.607 64.991 62.300 0.140 0.000 1.036 163 V CB -1.211 30.707 31.823 0.160 0.000 0.654 163 V HN 0.923 nan 8.190 nan 0.000 0.451 164 G N -0.239 108.719 108.800 0.262 0.000 2.480 164 G HA2 -0.257 3.703 3.960 0.000 0.000 0.216 164 G HA3 -0.257 3.703 3.960 0.000 0.000 0.216 164 G C 1.758 176.799 174.900 0.234 0.000 1.200 164 G CA 1.164 46.511 45.100 0.412 0.000 0.782 164 G HN 0.624 nan 8.290 nan 0.000 0.554 165 A N -0.225 122.448 122.820 -0.244 0.000 1.969 165 A HA 0.048 4.368 4.320 0.000 0.000 0.218 165 A C 2.500 180.063 177.584 -0.034 0.000 1.169 165 A CA 2.329 54.165 52.037 -0.334 0.000 0.635 165 A CB -0.789 18.029 19.000 -0.303 0.000 0.810 165 A HN 0.312 nan 8.150 nan 0.000 0.445 166 T N -0.426 114.142 114.554 0.025 0.000 2.788 166 T HA -0.106 4.244 4.350 0.000 0.000 0.268 166 T C 1.850 176.576 174.700 0.042 0.000 1.044 166 T CA 1.550 63.671 62.100 0.035 0.000 1.139 166 T CB -0.298 68.590 68.868 0.033 0.000 0.867 166 T HN 0.167 nan 8.240 nan 0.000 0.454 167 V N 1.249 121.213 119.914 0.082 0.000 2.307 167 V HA -0.163 3.957 4.120 0.000 0.000 0.245 167 V C 2.792 178.896 176.094 0.017 0.000 1.045 167 V CA 1.891 64.170 62.300 -0.035 0.000 1.024 167 V CB -1.002 30.655 31.823 -0.276 0.000 0.651 167 V HN 0.488 nan 8.190 nan 0.000 0.449 168 T N 0.345 115.026 114.554 0.211 0.000 2.684 168 T HA -0.151 4.199 4.350 0.000 0.000 0.267 168 T C 1.780 176.552 174.700 0.119 0.000 1.036 168 T CA 1.950 64.198 62.100 0.247 0.000 1.148 168 T CB -0.262 68.862 68.868 0.426 0.000 0.863 168 T HN 0.340 nan 8.240 nan 0.000 0.436 169 I N 0.617 121.235 120.570 0.081 0.000 2.163 169 I HA -0.139 4.031 4.170 0.000 0.000 0.240 169 I C 2.589 178.722 176.117 0.026 0.000 1.081 169 I CA 1.227 62.558 61.300 0.051 0.000 1.353 169 I CB -0.393 37.630 38.000 0.039 0.000 1.054 169 I HN 0.240 nan 8.210 nan 0.000 0.407 170 M N 0.456 120.063 119.600 0.012 0.000 2.080 170 M HA -0.232 4.248 4.480 0.000 0.000 0.260 170 M C 2.454 178.744 176.300 -0.018 0.000 1.068 170 M CA 1.980 57.274 55.300 -0.010 0.000 1.109 170 M CB -0.041 32.545 32.600 -0.022 0.000 1.342 170 M HN 0.139 nan 8.290 nan 0.000 0.405 171 S N 0.789 116.480 115.700 -0.015 0.000 2.348 171 S HA -0.090 4.380 4.470 0.000 0.000 0.221 171 S C 2.035 176.636 174.600 0.002 0.000 1.033 171 S CA 1.421 59.613 58.200 -0.013 0.000 1.010 171 S CB -0.613 62.580 63.200 -0.011 0.000 0.891 171 S HN 0.702 nan 8.310 nan 0.000 0.442 172 A N 1.396 124.230 122.820 0.024 0.000 1.972 172 A HA 0.157 4.477 4.320 0.000 0.000 0.219 172 A C 2.299 179.885 177.584 0.004 0.000 1.169 172 A CA 1.597 53.649 52.037 0.025 0.000 0.635 172 A CB -0.938 18.091 19.000 0.049 0.000 0.810 172 A HN 0.511 nan 8.150 nan 0.000 0.446 173 A N -0.036 122.784 122.820 -0.000 0.000 1.969 173 A HA -0.079 4.241 4.320 0.000 0.000 0.218 173 A C 2.343 179.911 177.584 -0.027 0.000 1.169 173 A CA 2.248 54.279 52.037 -0.011 0.000 0.635 173 A CB -1.428 17.566 19.000 -0.011 0.000 0.810 173 A HN 0.819 nan 8.150 nan 0.000 0.445 174 T N -1.982 112.551 114.554 -0.036 0.000 2.897 174 T HA -0.056 4.294 4.350 0.000 0.000 0.271 174 T C 1.233 175.901 174.700 -0.054 0.000 1.084 174 T CA 1.549 63.618 62.100 -0.051 0.000 1.123 174 T CB -0.358 68.469 68.868 -0.068 0.000 0.865 174 T HN 0.336 nan 8.240 nan 0.000 0.496 175 L N 0.125 121.319 121.223 -0.048 0.000 2.808 175 L HA 0.554 4.894 4.340 0.000 0.000 0.246 175 L C 1.287 178.132 176.870 -0.043 0.000 1.153 175 L CA -0.530 54.277 54.840 -0.054 0.000 0.956 175 L CB -0.124 41.894 42.059 -0.069 0.000 1.270 175 L HN 0.290 nan 8.230 nan 0.000 0.528 176 A N 0.301 123.102 122.820 -0.032 0.000 2.272 176 A HA 0.361 4.681 4.320 0.000 0.000 0.275 176 A C 0.053 177.623 177.584 -0.024 0.000 1.096 176 A CA -0.312 51.711 52.037 -0.023 0.000 0.822 176 A CB 0.324 19.316 19.000 -0.014 0.000 1.088 176 A HN 0.267 nan 8.150 nan 0.000 0.495 177 E N 0.182 120.370 120.200 -0.019 0.000 2.194 177 E HA 0.455 4.805 4.350 0.000 0.000 0.284 177 E C 0.589 177.180 176.600 -0.016 0.000 1.035 177 E CA 0.688 57.077 56.400 -0.018 0.000 0.836 177 E CB 0.664 30.356 29.700 -0.015 0.000 1.070 177 E HN 1.275 nan 8.360 nan 0.000 0.401 178 G N 2.845 111.634 108.800 -0.020 0.000 2.627 178 G HA2 -0.210 3.750 3.960 0.000 0.000 0.214 178 G HA3 -0.210 3.750 3.960 0.000 0.000 0.214 178 G C -0.363 174.521 174.900 -0.026 0.000 1.331 178 G CA -0.755 44.333 45.100 -0.020 0.000 0.891 178 G HN 0.456 nan 8.290 nan 0.000 0.539 179 T N 1.051 115.588 114.554 -0.029 0.000 2.845 179 T HA 0.649 4.999 4.350 0.000 0.000 0.288 179 T C 0.162 174.834 174.700 -0.046 0.000 0.980 179 T CA 0.446 62.521 62.100 -0.042 0.000 1.071 179 T CB 1.489 70.326 68.868 -0.051 0.000 0.941 179 T HN 0.753 nan 8.240 nan 0.000 0.487 180 T N 3.314 117.836 114.554 -0.053 0.000 2.841 180 T HA 0.610 4.960 4.350 0.000 0.000 0.283 180 T C -0.332 174.315 174.700 -0.088 0.000 1.000 180 T CA -0.504 61.565 62.100 -0.052 0.000 0.977 180 T CB 0.613 69.465 68.868 -0.026 0.000 0.979 180 T HN 0.419 nan 8.240 nan 0.000 0.446 181 I N 3.684 124.173 120.570 -0.134 0.000 2.418 181 I HA 0.460 4.630 4.170 0.000 0.000 0.287 181 I C -0.610 175.465 176.117 -0.070 0.000 1.008 181 I CA -0.793 60.396 61.300 -0.186 0.000 1.104 181 I CB 1.783 39.488 38.000 -0.491 0.000 1.264 181 I HN 0.474 nan 8.210 nan 0.000 0.438 182 I N 6.145 126.700 120.570 -0.024 0.000 2.330 182 I HA 0.244 4.414 4.170 0.000 0.000 0.286 182 I C 0.053 176.194 176.117 0.040 0.000 1.025 182 I CA -0.543 60.772 61.300 0.025 0.000 1.197 182 I CB 0.712 38.721 38.000 0.015 0.000 1.358 182 I HN 0.459 nan 8.210 nan 0.000 0.467 183 E N 5.960 126.210 120.200 0.084 0.000 2.266 183 E HA 0.109 4.459 4.350 0.000 0.000 0.277 183 E C 0.258 176.888 176.600 0.051 0.000 1.018 183 E CA -0.345 56.103 56.400 0.081 0.000 0.840 183 E CB 1.213 30.988 29.700 0.125 0.000 1.082 183 E HN 0.641 nan 8.360 nan 0.000 0.395 184 N N 0.461 119.184 118.700 0.038 0.000 2.758 184 N HA -0.224 4.516 4.740 0.000 0.000 0.248 184 N C -0.754 174.772 175.510 0.026 0.000 1.076 184 N CA 0.183 53.249 53.050 0.027 0.000 0.696 184 N CB -0.451 38.050 38.487 0.024 0.000 0.979 184 N HN 0.544 nan 8.380 nan 0.000 0.550 185 A N 0.438 123.274 122.820 0.026 0.000 2.386 185 A HA 0.625 4.945 4.320 0.000 0.000 0.248 185 A C 0.891 178.490 177.584 0.025 0.000 1.082 185 A CA 0.379 52.430 52.037 0.023 0.000 0.789 185 A CB 0.601 19.612 19.000 0.018 0.000 1.025 185 A HN 0.649 nan 8.150 nan 0.000 0.490 186 A N 0.987 123.823 122.820 0.026 0.000 2.462 186 A HA 0.414 4.734 4.320 0.000 0.000 0.243 186 A C 0.932 178.535 177.584 0.031 0.000 1.076 186 A CA -0.147 51.909 52.037 0.031 0.000 0.773 186 A CB -0.004 19.017 19.000 0.036 0.000 1.010 186 A HN 0.826 nan 8.150 nan 0.000 0.493 187 R N 0.872 121.402 120.500 0.049 0.000 2.397 187 R HA 0.103 4.443 4.340 0.000 0.000 0.241 187 R C -0.509 175.820 176.300 0.049 0.000 0.914 187 R CA -0.218 55.926 56.100 0.073 0.000 1.071 187 R CB 0.228 30.600 30.300 0.120 0.000 1.116 187 R HN 0.778 nan 8.270 nan 0.000 0.524 188 E N 1.582 121.755 120.200 -0.046 0.000 2.467 188 E HA -0.057 4.293 4.350 0.000 0.000 0.264 188 E C -1.688 174.760 176.600 -0.252 0.000 1.020 188 E CA -0.991 55.258 56.400 -0.252 0.000 0.945 188 E CB 0.483 30.099 29.700 -0.140 0.000 0.942 188 E HN -0.121 nan 8.360 nan 0.000 0.449 189 P HA -0.173 nan 4.420 nan 0.000 0.217 189 P C 0.259 177.495 177.300 -0.106 0.000 1.148 189 P CA 1.203 64.181 63.100 -0.204 0.000 0.828 189 P CB 0.283 31.852 31.700 -0.218 0.000 0.783 190 E N -1.240 118.897 120.200 -0.105 0.000 2.204 190 E HA -0.100 4.250 4.350 0.000 0.000 0.194 190 E C 1.889 178.453 176.600 -0.060 0.000 0.989 190 E CA 0.680 57.043 56.400 -0.062 0.000 0.824 190 E CB -0.730 28.945 29.700 -0.042 0.000 0.756 190 E HN 0.207 nan 8.360 nan 0.000 0.477 191 I N 0.043 120.578 120.570 -0.057 0.000 2.233 191 I HA -0.173 3.997 4.170 0.000 0.000 0.243 191 I C 2.091 178.187 176.117 -0.035 0.000 1.093 191 I CA 0.829 62.102 61.300 -0.046 0.000 1.380 191 I CB -0.893 37.091 38.000 -0.026 0.000 1.067 191 I HN 0.015 nan 8.210 nan 0.000 0.413 192 V N 1.084 120.983 119.914 -0.025 0.000 2.332 192 V HA -0.303 3.817 4.120 0.000 0.000 0.248 192 V C 2.257 178.364 176.094 0.021 0.000 1.055 192 V CA 2.194 64.493 62.300 -0.001 0.000 1.038 192 V CB -0.689 31.137 31.823 0.005 0.000 0.651 192 V HN 0.328 nan 8.190 nan 0.000 0.450 193 D N -0.453 119.964 120.400 0.029 0.000 2.144 193 D HA -0.129 4.511 4.640 0.000 0.000 0.200 193 D C 2.244 178.556 176.300 0.021 0.000 0.978 193 D CA 1.583 55.644 54.000 0.101 0.000 0.833 193 D CB -0.066 40.795 40.800 0.102 0.000 0.961 193 D HN 0.389 nan 8.370 nan 0.000 0.470 194 T N -0.585 113.946 114.554 -0.038 0.000 2.857 194 T HA -0.024 4.326 4.350 0.000 0.000 0.266 194 T C 1.872 176.545 174.700 -0.046 0.000 1.048 194 T CA 1.143 63.205 62.100 -0.063 0.000 1.139 194 T CB -0.249 68.547 68.868 -0.120 0.000 0.874 194 T HN 0.196 nan 8.240 nan 0.000 0.455 195 A N 2.358 125.148 122.820 -0.049 0.000 1.898 195 A HA -0.104 4.216 4.320 0.000 0.000 0.216 195 A C 2.224 179.760 177.584 -0.079 0.000 1.181 195 A CA 1.282 53.285 52.037 -0.057 0.000 0.620 195 A CB -0.523 18.456 19.000 -0.036 0.000 0.819 195 A HN 0.354 nan 8.150 nan 0.000 0.442 196 N N -0.840 117.828 118.700 -0.053 0.000 2.244 196 N HA -0.121 4.619 4.740 0.000 0.000 0.183 196 N C 1.352 176.711 175.510 -0.252 0.000 1.016 196 N CA 1.375 54.400 53.050 -0.042 0.000 0.866 196 N CB -0.593 37.983 38.487 0.149 0.000 0.980 196 N HN 0.548 nan 8.380 nan 0.000 0.430 197 F N 1.664 121.180 119.950 -0.723 0.000 2.134 197 F HA -0.009 4.518 4.527 0.000 0.000 0.299 197 F C 1.939 177.481 175.800 -0.429 0.000 1.097 197 F CA 0.977 58.372 58.000 -1.008 0.000 1.264 197 F CB -0.469 37.961 39.000 -0.951 0.000 1.001 197 F HN -0.084 nan 8.300 nan 0.000 0.479 198 L N -0.520 120.421 121.223 -0.470 0.000 2.046 198 L HA -0.215 4.125 4.340 0.000 0.000 0.208 198 L C 2.391 179.054 176.870 -0.346 0.000 1.077 198 L CA 1.043 55.616 54.840 -0.445 0.000 0.747 198 L CB -0.875 41.059 42.059 -0.210 0.000 0.896 198 L HN 0.020 nan 8.230 nan 0.000 0.432 199 V N 0.020 119.791 119.914 -0.238 0.000 2.407 199 V HA -0.260 3.860 4.120 0.000 0.000 0.248 199 V C 2.706 178.705 176.094 -0.159 0.000 1.055 199 V CA 1.679 63.886 62.300 -0.155 0.000 1.049 199 V CB -0.846 30.925 31.823 -0.085 0.000 0.662 199 V HN 0.483 nan 8.190 nan 0.000 0.455 200 A N -0.338 122.364 122.820 -0.197 0.000 2.019 200 A HA -0.070 4.250 4.320 0.000 0.000 0.219 200 A C 2.029 179.496 177.584 -0.196 0.000 1.164 200 A CA 1.341 53.300 52.037 -0.129 0.000 0.644 200 A CB -0.433 18.552 19.000 -0.024 0.000 0.805 200 A HN 0.550 nan 8.150 nan 0.000 0.449 201 L N -1.582 119.435 121.223 -0.343 0.000 2.591 201 L HA 0.232 4.572 4.340 0.000 0.000 0.228 201 L C 1.522 178.281 176.870 -0.186 0.000 1.133 201 L CA 0.551 55.213 54.840 -0.296 0.000 0.880 201 L CB -0.100 41.697 42.059 -0.438 0.000 1.033 201 L HN 0.564 nan 8.230 nan 0.000 0.450 202 G N -0.245 108.460 108.800 -0.157 0.000 2.168 202 G HA2 -0.168 3.792 3.960 0.000 0.000 0.197 202 G HA3 -0.168 3.792 3.960 0.000 0.000 0.197 202 G C 0.308 175.145 174.900 -0.106 0.000 0.997 202 G CA -0.145 44.889 45.100 -0.109 0.000 0.658 202 G HN 0.424 nan 8.290 nan 0.000 0.513 203 A N -0.113 122.628 122.820 -0.131 0.000 2.313 203 A HA 0.740 5.060 4.320 0.000 0.000 0.261 203 A C 0.419 177.953 177.584 -0.083 0.000 1.090 203 A CA 0.126 52.098 52.037 -0.108 0.000 0.807 203 A CB 0.511 19.435 19.000 -0.127 0.000 1.055 203 A HN 0.344 nan 8.150 nan 0.000 0.492 204 K N 0.889 121.249 120.400 -0.067 0.000 2.464 204 K HA 0.582 4.902 4.320 0.000 0.000 0.252 204 K C -1.541 175.028 176.600 -0.050 0.000 1.000 204 K CA 0.295 56.550 56.287 -0.054 0.000 0.951 204 K CB 1.029 33.502 32.500 -0.046 0.000 1.183 204 K HN 0.583 nan 8.250 nan 0.000 0.445 205 I N 1.419 121.960 120.570 -0.048 0.000 2.619 205 I HA 0.309 4.479 4.170 0.000 0.000 0.292 205 I C -0.346 175.751 176.117 -0.033 0.000 1.100 205 I CA -0.723 60.551 61.300 -0.043 0.000 1.043 205 I CB 2.337 40.308 38.000 -0.048 0.000 1.239 205 I HN 0.531 nan 8.210 nan 0.000 0.420 206 S N 2.224 117.907 115.700 -0.029 0.000 2.618 206 S HA 0.841 5.311 4.470 0.000 0.000 0.277 206 S C 0.347 174.935 174.600 -0.019 0.000 1.138 206 S CA -0.048 58.139 58.200 -0.022 0.000 0.844 206 S CB 1.987 65.174 63.200 -0.021 0.000 1.127 206 S HN 1.388 nan 8.310 nan 0.000 0.474 207 G N 0.657 109.451 108.800 -0.011 0.000 2.176 207 G HA2 -0.256 3.704 3.960 0.000 0.000 0.253 207 G HA3 -0.256 3.704 3.960 0.000 0.000 0.253 207 G C 0.144 175.043 174.900 -0.002 0.000 0.979 207 G CA 0.241 45.337 45.100 -0.007 0.000 0.641 207 G HN 1.271 nan 8.290 nan 0.000 0.530 208 Q N 0.323 120.121 119.800 -0.003 0.000 2.315 208 Q HA 0.391 4.731 4.340 0.000 0.000 0.289 208 Q C 1.207 177.214 176.000 0.012 0.000 1.044 208 Q CA 1.070 56.874 55.803 0.001 0.000 0.920 208 Q CB 0.936 29.671 28.738 -0.005 0.000 1.214 208 Q HN 1.818 nan 8.270 nan 0.000 0.392 209 G N 2.232 111.044 108.800 0.021 0.000 2.254 209 G HA2 -0.296 3.664 3.960 0.000 0.000 0.225 209 G HA3 -0.296 3.664 3.960 0.000 0.000 0.225 209 G C 0.309 175.236 174.900 0.045 0.000 1.003 209 G CA 0.316 45.441 45.100 0.042 0.000 0.622 209 G HN 1.137 nan 8.290 nan 0.000 0.507 210 T N -1.250 113.320 114.554 0.027 0.000 2.910 210 T HA 0.541 4.891 4.350 0.000 0.000 0.279 210 T C 1.020 175.733 174.700 0.022 0.000 0.989 210 T CA 0.729 62.842 62.100 0.021 0.000 0.968 210 T CB 1.653 70.528 68.868 0.012 0.000 1.135 210 T HN 0.289 nan 8.240 nan 0.000 0.562 211 D N -1.197 119.214 120.400 0.019 0.000 2.349 211 D HA 0.004 4.644 4.640 0.000 0.000 0.224 211 D C 0.678 176.989 176.300 0.020 0.000 1.029 211 D CA 0.128 54.140 54.000 0.020 0.000 0.879 211 D CB -0.026 40.785 40.800 0.019 0.000 0.906 211 D HN 0.542 nan 8.370 nan 0.000 0.528 212 R N 0.503 121.012 120.500 0.014 0.000 2.451 212 R HA 0.485 4.825 4.340 0.000 0.000 0.307 212 R C -1.146 175.151 176.300 -0.005 0.000 0.965 212 R CA -0.611 55.494 56.100 0.008 0.000 0.865 212 R CB 0.864 31.169 30.300 0.009 0.000 1.174 212 R HN 0.013 nan 8.270 nan 0.000 0.455 213 I N 3.408 123.972 120.570 -0.010 0.000 2.377 213 I HA 0.287 4.457 4.170 0.000 0.000 0.293 213 I C -0.271 175.824 176.117 -0.037 0.000 0.987 213 I CA -0.599 60.690 61.300 -0.019 0.000 1.185 213 I CB 2.264 40.256 38.000 -0.013 0.000 1.341 213 I HN 0.516 nan 8.210 nan 0.000 0.455 214 T N 7.035 121.564 114.554 -0.042 0.000 2.786 214 T HA 0.613 4.963 4.350 0.000 0.000 0.283 214 T C -0.356 174.315 174.700 -0.049 0.000 0.992 214 T CA -0.345 61.721 62.100 -0.057 0.000 0.954 214 T CB 1.166 69.997 68.868 -0.061 0.000 0.934 214 T HN 0.164 nan 8.240 nan 0.000 0.440 215 I N 2.478 123.018 120.570 -0.051 0.000 2.530 215 I HA 0.476 4.646 4.170 0.000 0.000 0.297 215 I C 0.148 176.238 176.117 -0.045 0.000 1.011 215 I CA -0.731 60.541 61.300 -0.046 0.000 1.107 215 I CB 1.959 39.935 38.000 -0.041 0.000 1.285 215 I HN 0.560 nan 8.210 nan 0.000 0.436 216 E N 3.544 123.717 120.200 -0.044 0.000 2.182 216 E HA 0.591 4.941 4.350 0.000 0.000 0.258 216 E C -0.163 176.412 176.600 -0.041 0.000 0.879 216 E CA -0.678 55.698 56.400 -0.040 0.000 0.754 216 E CB 1.237 30.914 29.700 -0.038 0.000 1.162 216 E HN 0.819 nan 8.360 nan 0.000 0.419 217 G N 2.583 111.360 108.800 -0.038 0.000 2.432 217 G HA2 0.349 4.309 3.960 0.000 0.000 0.239 217 G HA3 0.349 4.309 3.960 0.000 0.000 0.239 217 G C 0.085 174.960 174.900 -0.041 0.000 1.291 217 G CA 0.116 45.192 45.100 -0.040 0.000 0.863 217 G HN 0.479 nan 8.290 nan 0.000 0.560 218 V N -0.407 119.479 119.914 -0.048 0.000 3.158 218 V HA 0.579 4.699 4.120 0.000 0.000 0.315 218 V C 0.833 176.897 176.094 -0.050 0.000 1.148 218 V CA -0.761 61.511 62.300 -0.047 0.000 1.042 218 V CB 1.901 33.693 31.823 -0.053 0.000 1.101 218 V HN 0.785 nan 8.190 nan 0.000 0.448 219 E N 1.014 121.186 120.200 -0.047 0.000 2.208 219 E HA 0.073 4.423 4.350 0.000 0.000 0.193 219 E C 0.351 176.914 176.600 -0.062 0.000 0.988 219 E CA 0.899 57.269 56.400 -0.050 0.000 0.828 219 E CB 0.030 29.706 29.700 -0.040 0.000 0.763 219 E HN 0.768 nan 8.360 nan 0.000 0.478 220 R N -0.339 120.123 120.500 -0.064 0.000 2.709 220 R HA 0.479 4.819 4.340 0.000 0.000 0.270 220 R C -1.563 174.691 176.300 -0.076 0.000 1.038 220 R CA -0.744 55.312 56.100 -0.073 0.000 0.872 220 R CB 0.874 31.136 30.300 -0.063 0.000 1.259 220 R HN -0.133 nan 8.270 nan 0.000 0.473 221 L N 1.297 122.468 121.223 -0.086 0.000 2.334 221 L HA 0.626 4.966 4.340 0.000 0.000 0.276 221 L C 0.676 177.496 176.870 -0.082 0.000 1.014 221 L CA -0.650 54.129 54.840 -0.101 0.000 0.815 221 L CB 1.992 43.974 42.059 -0.130 0.000 1.268 221 L HN 0.993 nan 8.230 nan 0.000 0.428 222 G N 1.075 109.823 108.800 -0.086 0.000 2.975 222 G HA2 0.626 4.586 3.960 0.000 0.000 0.159 222 G HA3 0.626 4.586 3.960 0.000 0.000 0.159 222 G C -0.028 174.842 174.900 -0.049 0.000 1.525 222 G CA 0.305 45.372 45.100 -0.055 0.000 1.075 222 G HN 0.743 nan 8.290 nan 0.000 0.574 223 G N -3.094 105.690 108.800 -0.027 0.000 3.243 223 G HA2 0.731 4.691 3.960 0.000 0.000 0.248 223 G HA3 0.731 4.691 3.960 0.000 0.000 0.248 223 G C -0.152 174.755 174.900 0.013 0.000 1.267 223 G CA 0.085 45.189 45.100 0.006 0.000 0.906 223 G HN 1.922 nan 8.290 nan 0.000 0.592 224 G N -2.615 106.224 108.800 0.066 0.000 2.302 224 G HA2 0.459 4.419 3.960 0.000 0.000 0.276 224 G HA3 0.459 4.419 3.960 0.000 0.000 0.276 224 G C -1.833 173.146 174.900 0.132 0.000 1.316 224 G CA 0.136 45.285 45.100 0.082 0.000 0.988 224 G HN 1.451 nan 8.290 nan 0.000 0.479 225 V N 0.404 120.403 119.914 0.142 0.000 2.709 225 V HA 0.780 4.900 4.120 0.000 0.000 0.308 225 V C -1.125 175.104 176.094 0.225 0.000 1.062 225 V CA -0.553 61.835 62.300 0.145 0.000 0.901 225 V CB 1.681 33.554 31.823 0.084 0.000 1.003 225 V HN 1.105 nan 8.190 nan 0.000 0.425 226 Y N 3.695 124.036 120.300 0.068 0.000 2.544 226 Y HA 0.630 5.180 4.550 0.000 0.000 0.342 226 Y C -0.448 175.441 175.900 -0.019 0.000 1.062 226 Y CA -0.895 57.254 58.100 0.081 0.000 1.023 226 Y CB 1.816 40.442 38.460 0.276 0.000 1.308 226 Y HN 0.606 nan 8.280 nan 0.000 0.457 227 R N 4.639 124.755 120.500 -0.640 0.000 2.295 227 R HA 0.632 4.972 4.340 0.000 0.000 0.324 227 R C -1.524 174.524 176.300 -0.420 0.000 0.968 227 R CA -0.645 55.212 56.100 -0.406 0.000 0.837 227 R CB 1.116 31.226 30.300 -0.317 0.000 1.133 227 R HN 0.618 nan 8.270 nan 0.000 0.450 228 V N 6.399 126.216 119.914 -0.162 0.000 2.655 228 V HA 0.021 4.141 4.120 0.000 0.000 0.300 228 V C 0.938 176.984 176.094 -0.081 0.000 1.044 228 V CA -0.165 62.099 62.300 -0.060 0.000 1.095 228 V CB 0.702 32.488 31.823 -0.062 0.000 0.952 228 V HN 0.684 nan 8.190 nan 0.000 0.485 229 L N 5.688 126.890 121.223 -0.036 0.000 2.476 229 L HA 0.490 4.830 4.340 0.000 0.000 0.264 229 L C -2.358 174.492 176.870 -0.034 0.000 1.224 229 L CA -1.436 53.380 54.840 -0.041 0.000 0.821 229 L CB 0.018 42.067 42.059 -0.016 0.000 1.101 229 L HN 0.358 nan 8.230 nan 0.000 0.488 230 P HA 0.015 nan 4.420 nan 0.000 0.269 230 P C -1.218 176.077 177.300 -0.009 0.000 1.215 230 P CA -0.063 63.030 63.100 -0.011 0.000 0.780 230 P CB 0.362 32.063 31.700 0.002 0.000 0.898 231 D N 2.228 122.628 120.400 -0.000 0.000 2.359 231 D HA -0.005 4.635 4.640 0.000 0.000 0.250 231 D C 1.348 177.650 176.300 0.003 0.000 1.264 231 D CA -0.098 53.893 54.000 -0.014 0.000 0.911 231 D CB 0.431 41.215 40.800 -0.027 0.000 1.056 231 D HN 0.325 nan 8.370 nan 0.000 0.499 232 R N 3.762 124.254 120.500 -0.012 0.000 2.120 232 R HA -0.140 4.200 4.340 0.000 0.000 0.234 232 R C 1.363 177.667 176.300 0.006 0.000 1.123 232 R CA 0.653 56.753 56.100 -0.001 0.000 0.975 232 R CB -0.194 30.094 30.300 -0.021 0.000 0.866 232 R HN 0.321 nan 8.270 nan 0.000 0.446 233 I N 1.871 122.428 120.570 -0.022 0.000 2.286 233 I HA -0.143 4.027 4.170 0.000 0.000 0.245 233 I C 2.570 178.700 176.117 0.023 0.000 1.104 233 I CA 1.226 62.516 61.300 -0.016 0.000 1.397 233 I CB -1.336 36.630 38.000 -0.056 0.000 1.072 233 I HN 0.369 nan 8.210 nan 0.000 0.417 234 E N 0.848 121.046 120.200 -0.002 0.000 2.085 234 E HA -0.220 4.130 4.350 0.000 0.000 0.194 234 E C 2.020 178.760 176.600 0.234 0.000 0.994 234 E CA 2.070 58.547 56.400 0.129 0.000 0.801 234 E CB 0.152 29.950 29.700 0.164 0.000 0.743 234 E HN 0.403 nan 8.360 nan 0.000 0.453 235 T N -0.248 114.424 114.554 0.196 0.000 2.652 235 T HA -0.138 4.212 4.350 0.000 0.000 0.267 235 T C 1.720 176.531 174.700 0.184 0.000 1.039 235 T CA 1.354 63.583 62.100 0.216 0.000 1.153 235 T CB -0.673 68.271 68.868 0.127 0.000 0.863 235 T HN 0.424 nan 8.240 nan 0.000 0.428 236 G N 0.899 109.774 108.800 0.124 0.000 2.422 236 G HA2 -0.211 3.749 3.960 0.000 0.000 0.218 236 G HA3 -0.211 3.749 3.960 0.000 0.000 0.218 236 G C 1.716 176.678 174.900 0.104 0.000 1.146 236 G CA 1.450 46.629 45.100 0.132 0.000 0.769 236 G HN 0.459 nan 8.290 nan 0.000 0.547 237 T N 0.904 115.485 114.554 0.045 0.000 2.708 237 T HA -0.077 4.273 4.350 0.000 0.000 0.266 237 T C 2.044 176.636 174.700 -0.180 0.000 1.037 237 T CA 1.058 63.103 62.100 -0.093 0.000 1.146 237 T CB -0.349 68.427 68.868 -0.154 0.000 0.865 237 T HN 0.300 nan 8.240 nan 0.000 0.435 238 F N 0.750 120.746 119.950 0.077 0.000 2.259 238 F HA 0.131 4.658 4.527 -0.000 0.000 0.298 238 F C 2.097 177.913 175.800 0.026 0.000 1.088 238 F CA 0.455 58.480 58.000 0.041 0.000 1.358 238 F CB -0.426 38.605 39.000 0.052 0.000 1.040 238 F HN 0.062 nan 8.300 nan 0.000 0.505 239 L N -0.769 120.566 121.223 0.187 0.000 2.056 239 L HA -0.194 4.146 4.340 0.000 0.000 0.207 239 L C 2.300 179.194 176.870 0.039 0.000 1.078 239 L CA 0.687 55.598 54.840 0.118 0.000 0.749 239 L CB -0.663 41.471 42.059 0.125 0.000 0.901 239 L HN -0.022 nan 8.230 nan 0.000 0.433 240 V N -0.104 119.801 119.914 -0.015 0.000 2.427 240 V HA -0.234 3.886 4.120 0.000 0.000 0.248 240 V C 2.728 178.776 176.094 -0.077 0.000 1.051 240 V CA 1.555 63.782 62.300 -0.123 0.000 1.048 240 V CB -0.720 30.984 31.823 -0.198 0.000 0.666 240 V HN 0.462 nan 8.190 nan 0.000 0.456 241 A N 0.174 122.975 122.820 -0.031 0.000 1.908 241 A HA -0.182 4.138 4.320 0.000 0.000 0.218 241 A C 2.405 179.994 177.584 0.009 0.000 1.181 241 A CA 2.316 54.348 52.037 -0.008 0.000 0.627 241 A CB -0.712 18.319 19.000 0.051 0.000 0.818 241 A HN 0.571 nan 8.150 nan 0.000 0.445 242 A N -0.433 122.405 122.820 0.030 0.000 1.897 242 A HA 0.281 4.601 4.320 0.000 0.000 0.215 242 A C 2.475 180.053 177.584 -0.010 0.000 1.181 242 A CA 1.729 53.776 52.037 0.016 0.000 0.620 242 A CB -0.972 18.045 19.000 0.029 0.000 0.821 242 A HN 1.089 nan 8.150 nan 0.000 0.443 243 A N 0.492 123.298 122.820 -0.024 0.000 2.019 243 A HA -0.062 4.258 4.320 0.000 0.000 0.219 243 A C 1.979 179.533 177.584 -0.049 0.000 1.164 243 A CA 1.470 53.482 52.037 -0.042 0.000 0.644 243 A CB -0.743 18.213 19.000 -0.074 0.000 0.805 243 A HN 1.003 nan 8.150 nan 0.000 0.449 244 I N -3.124 117.413 120.570 -0.055 0.000 3.860 244 I HA 0.143 4.313 4.170 0.000 0.000 0.319 244 I C 1.190 177.293 176.117 -0.024 0.000 1.279 244 I CA 1.074 62.346 61.300 -0.046 0.000 1.220 244 I CB 0.278 38.244 38.000 -0.058 0.000 1.027 244 I HN 0.229 nan 8.210 nan 0.000 0.428 245 S N -0.211 115.479 115.700 -0.018 0.000 2.749 245 S HA 0.447 4.917 4.470 0.000 0.000 0.246 245 S C 1.416 176.012 174.600 -0.006 0.000 1.023 245 S CA 0.159 58.353 58.200 -0.009 0.000 1.012 245 S CB 0.247 63.443 63.200 -0.007 0.000 0.942 245 S HN 0.722 nan 8.310 nan 0.000 0.531 246 G N 0.655 109.451 108.800 -0.006 0.000 2.180 246 G HA2 -0.190 3.770 3.960 0.000 0.000 0.263 246 G HA3 -0.190 3.770 3.960 0.000 0.000 0.263 246 G C 0.636 175.529 174.900 -0.011 0.000 0.989 246 G CA 0.145 45.244 45.100 -0.002 0.000 0.692 246 G HN 1.113 nan 8.290 nan 0.000 0.526 247 G N -0.858 107.933 108.800 -0.015 0.000 2.553 247 G HA2 0.553 4.513 3.960 0.000 0.000 0.278 247 G HA3 0.553 4.513 3.960 0.000 0.000 0.278 247 G C -0.042 174.836 174.900 -0.037 0.000 1.349 247 G CA 0.233 45.322 45.100 -0.019 0.000 1.037 247 G HN 0.713 nan 8.290 nan 0.000 0.508 248 K N -1.260 119.120 120.400 -0.034 0.000 2.501 248 K HA 0.630 4.950 4.320 0.000 0.000 0.252 248 K C -1.770 174.817 176.600 -0.022 0.000 0.934 248 K CA -0.732 55.526 56.287 -0.047 0.000 0.797 248 K CB 2.171 34.632 32.500 -0.063 0.000 1.270 248 K HN 0.462 nan 8.250 nan 0.000 0.431 249 I N 2.511 123.077 120.570 -0.006 0.000 3.004 249 I HA 0.479 4.649 4.170 0.000 0.000 0.305 249 I C -1.862 174.271 176.117 0.026 0.000 1.312 249 I CA -0.913 60.392 61.300 0.008 0.000 0.992 249 I CB 2.392 40.414 38.000 0.035 0.000 1.282 249 I HN 0.387 nan 8.210 nan 0.000 0.449 250 V N 4.464 124.386 119.914 0.013 0.000 2.577 250 V HA 0.377 4.497 4.120 0.000 0.000 0.303 250 V C -0.799 175.324 176.094 0.048 0.000 1.042 250 V CA -0.664 61.663 62.300 0.045 0.000 0.872 250 V CB 1.387 33.183 31.823 -0.045 0.000 0.998 250 V HN 0.780 nan 8.190 nan 0.000 0.423 251 C N 5.799 125.171 119.300 0.120 0.000 2.255 251 C HA 0.625 5.085 4.460 0.000 0.000 0.326 251 C C 0.569 175.640 174.990 0.135 0.000 1.258 251 C CA -0.988 58.085 59.018 0.093 0.000 1.676 251 C CB -0.042 27.771 27.740 0.122 0.000 2.314 251 C HN 0.747 nan 8.230 nan 0.000 0.509 252 R N 2.547 123.090 120.500 0.072 0.000 2.532 252 R HA 0.275 4.615 4.340 0.000 0.000 0.272 252 R C 0.247 176.590 176.300 0.072 0.000 1.032 252 R CA -0.344 55.811 56.100 0.091 0.000 1.089 252 R CB 0.312 30.629 30.300 0.029 0.000 1.098 252 R HN 0.779 nan 8.270 nan 0.000 0.526 253 N N -1.196 117.552 118.700 0.080 0.000 2.740 253 N HA -0.194 4.546 4.740 0.000 0.000 0.248 253 N C -1.016 174.518 175.510 0.041 0.000 1.062 253 N CA 1.169 54.246 53.050 0.045 0.000 0.704 253 N CB -1.017 37.481 38.487 0.018 0.000 0.968 253 N HN 0.738 nan 8.380 nan 0.000 0.547 254 A N -0.199 122.655 122.820 0.058 0.000 2.282 254 A HA 0.759 5.079 4.320 0.000 0.000 0.324 254 A C 0.125 177.709 177.584 0.001 0.000 1.119 254 A CA -0.436 51.625 52.037 0.040 0.000 0.880 254 A CB 1.321 20.360 19.000 0.065 0.000 1.294 254 A HN 0.206 nan 8.150 nan 0.000 0.493 255 Q N 0.267 120.060 119.800 -0.011 0.000 3.021 255 Q HA 0.313 4.653 4.340 0.000 0.000 0.234 255 Q C -2.326 173.653 176.000 -0.035 0.000 0.930 255 Q CA -1.738 54.046 55.803 -0.033 0.000 0.714 255 Q CB 1.389 30.112 28.738 -0.025 0.000 1.325 255 Q HN 0.415 nan 8.270 nan 0.000 0.473 256 P HA -0.249 nan 4.420 nan 0.000 0.219 256 P C 0.566 177.845 177.300 -0.036 0.000 1.158 256 P CA 1.903 64.963 63.100 -0.066 0.000 0.895 256 P CB 0.160 31.781 31.700 -0.132 0.000 0.792 257 D N -1.608 118.772 120.400 -0.033 0.000 2.392 257 D HA -0.100 4.540 4.640 0.000 0.000 0.228 257 D C 1.093 177.411 176.300 0.030 0.000 1.003 257 D CA 1.291 55.286 54.000 -0.008 0.000 0.917 257 D CB -1.467 39.327 40.800 -0.011 0.000 0.890 257 D HN 0.255 nan 8.370 nan 0.000 0.532 258 T N -2.790 111.783 114.554 0.032 0.000 3.086 258 T HA 0.218 4.568 4.350 0.000 0.000 0.250 258 T C 1.183 175.943 174.700 0.100 0.000 1.074 258 T CA -0.271 61.875 62.100 0.075 0.000 0.988 258 T CB -0.236 68.638 68.868 0.011 0.000 0.988 258 T HN 0.199 nan 8.240 nan 0.000 0.530 259 L N 0.620 121.869 121.223 0.043 0.000 3.358 259 L HA 0.363 4.703 4.340 0.000 0.000 0.301 259 L C 0.834 177.700 176.870 -0.007 0.000 1.276 259 L CA -0.312 54.536 54.840 0.013 0.000 1.028 259 L CB 0.518 42.584 42.059 0.013 0.000 1.421 259 L HN -0.021 nan 8.230 nan 0.000 0.604 260 D N 1.683 122.075 120.400 -0.013 0.000 2.126 260 D HA -0.251 4.389 4.640 0.000 0.000 0.190 260 D C 2.167 178.458 176.300 -0.016 0.000 1.001 260 D CA 1.888 55.876 54.000 -0.020 0.000 0.841 260 D CB 0.140 40.919 40.800 -0.036 0.000 0.949 260 D HN 0.390 nan 8.370 nan 0.000 0.446 261 A N 0.728 123.520 122.820 -0.046 0.000 1.908 261 A HA -0.176 4.144 4.320 0.000 0.000 0.218 261 A C 2.632 180.233 177.584 0.029 0.000 1.181 261 A CA 1.683 53.714 52.037 -0.010 0.000 0.627 261 A CB -0.871 18.107 19.000 -0.037 0.000 0.818 261 A HN 0.170 nan 8.150 nan 0.000 0.445 262 V N 0.147 120.019 119.914 -0.071 0.000 2.295 262 V HA -0.260 3.860 4.120 0.000 0.000 0.246 262 V C 2.588 178.772 176.094 0.150 0.000 1.049 262 V CA 1.992 64.275 62.300 -0.028 0.000 1.024 262 V CB -0.742 31.031 31.823 -0.083 0.000 0.648 262 V HN 0.578 nan 8.190 nan 0.000 0.447 263 L N 0.063 121.346 121.223 0.099 0.000 2.017 263 L HA -0.165 4.175 4.340 0.000 0.000 0.208 263 L C 2.768 179.708 176.870 0.116 0.000 1.073 263 L CA 1.643 56.550 54.840 0.112 0.000 0.745 263 L CB -0.938 41.157 42.059 0.060 0.000 0.894 263 L HN 0.368 nan 8.230 nan 0.000 0.432 264 A N 0.097 122.969 122.820 0.086 0.000 1.940 264 A HA -0.263 4.057 4.320 0.000 0.000 0.219 264 A C 2.311 179.959 177.584 0.107 0.000 1.176 264 A CA 2.072 54.155 52.037 0.076 0.000 0.631 264 A CB -0.388 18.641 19.000 0.048 0.000 0.814 264 A HN 0.214 nan 8.150 nan 0.000 0.446 265 K N -0.196 120.293 120.400 0.148 0.000 2.155 265 K HA 0.128 4.448 4.320 0.000 0.000 0.203 265 K C 1.684 178.468 176.600 0.307 0.000 1.052 265 K CA 0.954 57.353 56.287 0.186 0.000 0.948 265 K CB -0.471 32.105 32.500 0.126 0.000 0.728 265 K HN 0.476 nan 8.250 nan 0.000 0.448 266 L N -0.056 121.373 121.223 0.343 0.000 2.141 266 L HA -0.099 4.241 4.340 0.000 0.000 0.209 266 L C 2.321 179.287 176.870 0.160 0.000 1.094 266 L CA 1.139 56.145 54.840 0.278 0.000 0.763 266 L CB -0.206 42.001 42.059 0.246 0.000 0.908 266 L HN 0.129 nan 8.230 nan 0.000 0.437 267 R N -0.043 120.537 120.500 0.133 0.000 2.092 267 R HA -0.134 4.206 4.340 0.000 0.000 0.231 267 R C 2.049 178.401 176.300 0.087 0.000 1.119 267 R CA 1.164 57.322 56.100 0.096 0.000 0.970 267 R CB -0.159 30.189 30.300 0.079 0.000 0.864 267 R HN 0.452 nan 8.270 nan 0.000 0.440 268 E N 0.375 120.632 120.200 0.094 0.000 2.268 268 E HA -0.109 4.241 4.350 0.000 0.000 0.195 268 E C 1.637 178.283 176.600 0.077 0.000 0.995 268 E CA 0.894 57.338 56.400 0.074 0.000 0.836 268 E CB 0.033 29.772 29.700 0.065 0.000 0.763 268 E HN 0.326 nan 8.360 nan 0.000 0.491 269 A N 0.511 123.391 122.820 0.100 0.000 2.206 269 A HA 0.216 4.536 4.320 0.000 0.000 0.211 269 A C 1.739 179.359 177.584 0.060 0.000 1.158 269 A CA 0.878 52.963 52.037 0.079 0.000 0.761 269 A CB -0.159 18.890 19.000 0.082 0.000 0.801 269 A HN 0.338 nan 8.150 nan 0.000 0.473 270 G N -2.444 106.396 108.800 0.068 0.000 2.148 270 G HA2 0.177 4.137 3.960 0.000 0.000 0.203 270 G HA3 0.177 4.137 3.960 0.000 0.000 0.203 270 G C 0.287 175.233 174.900 0.078 0.000 0.993 270 G CA 0.114 45.254 45.100 0.067 0.000 0.661 270 G HN 1.465 nan 8.290 nan 0.000 0.518 271 A N 0.047 122.913 122.820 0.075 0.000 2.340 271 A HA 0.601 4.921 4.320 0.000 0.000 0.268 271 A C 0.099 177.735 177.584 0.087 0.000 1.100 271 A CA 0.412 52.491 52.037 0.070 0.000 0.803 271 A CB 0.693 19.729 19.000 0.059 0.000 1.043 271 A HN 0.533 nan 8.150 nan 0.000 0.488 272 D N 1.868 122.320 120.400 0.086 0.000 2.380 272 D HA 0.454 5.094 4.640 0.000 0.000 0.230 272 D C -0.635 175.715 176.300 0.083 0.000 1.154 272 D CA 0.132 54.202 54.000 0.117 0.000 0.859 272 D CB -0.033 40.894 40.800 0.211 0.000 1.045 272 D HN 0.342 nan 8.370 nan 0.000 0.495 273 I N 3.173 123.797 120.570 0.090 0.000 2.474 273 I HA 0.340 4.510 4.170 0.000 0.000 0.294 273 I C 0.111 176.284 176.117 0.094 0.000 1.005 273 I CA -0.838 60.515 61.300 0.090 0.000 1.113 273 I CB 1.774 39.820 38.000 0.077 0.000 1.289 273 I HN 0.198 nan 8.210 nan 0.000 0.436 274 E N 4.019 124.298 120.200 0.131 0.000 2.288 274 E HA 0.558 4.908 4.350 0.000 0.000 0.268 274 E C -0.969 175.614 176.600 -0.029 0.000 0.885 274 E CA -0.591 55.889 56.400 0.132 0.000 0.767 274 E CB 2.729 32.614 29.700 0.308 0.000 1.220 274 E HN 0.675 nan 8.360 nan 0.000 0.427 275 T N -1.501 112.854 114.554 -0.332 0.000 2.900 275 T HA 0.779 5.129 4.350 0.000 0.000 0.295 275 T C 0.224 174.234 174.700 -1.150 0.000 1.044 275 T CA -0.750 60.877 62.100 -0.788 0.000 0.995 275 T CB 2.077 70.703 68.868 -0.404 0.000 1.072 275 T HN 0.428 nan 8.240 nan 0.000 0.473 276 G N 0.422 108.137 108.800 -1.808 0.000 3.119 276 G HA2 0.526 4.486 3.960 0.000 0.000 0.206 276 G HA3 0.526 4.486 3.960 0.000 0.000 0.206 276 G C 0.547 175.064 174.900 -0.638 0.000 1.313 276 G CA -0.285 44.118 45.100 -1.161 0.000 1.010 276 G HN 0.890 nan 8.290 nan 0.000 0.578 277 E N -0.918 119.088 120.200 -0.323 0.000 2.112 277 E HA -0.020 4.330 4.350 0.000 0.000 0.190 277 E C 0.362 176.869 176.600 -0.156 0.000 0.979 277 E CA 1.438 57.735 56.400 -0.173 0.000 0.814 277 E CB 0.038 29.702 29.700 -0.060 0.000 0.762 277 E HN 0.385 nan 8.360 nan 0.000 0.460 278 D N 0.095 120.422 120.400 -0.122 0.000 2.650 278 D HA 0.078 4.718 4.640 0.000 0.000 0.265 278 D C -0.186 176.166 176.300 0.085 0.000 1.339 278 D CA -0.647 53.346 54.000 -0.012 0.000 0.816 278 D CB -0.510 40.326 40.800 0.060 0.000 1.091 278 D HN 0.444 nan 8.370 nan 0.000 0.483 279 W N -0.172 121.128 121.300 0.001 0.000 3.074 279 W HA 0.680 5.340 4.660 0.000 0.000 0.332 279 W C -2.016 174.509 176.519 0.011 0.000 1.253 279 W CA -1.311 56.035 57.345 0.003 0.000 1.180 279 W CB 0.515 29.973 29.460 -0.003 0.000 1.445 279 W HN -0.316 nan 8.180 nan 0.000 0.573 280 I N 2.372 123.160 120.570 0.362 0.000 2.607 280 I HA 0.298 4.468 4.170 0.000 0.000 0.290 280 I C -0.509 175.857 176.117 0.415 0.000 1.129 280 I CA -0.596 60.841 61.300 0.229 0.000 1.042 280 I CB 2.367 40.424 38.000 0.095 0.000 1.242 280 I HN 0.413 nan 8.210 nan 0.000 0.421 281 S N 6.763 122.716 115.700 0.421 0.000 2.503 281 S HA 0.815 5.285 4.470 0.000 0.000 0.301 281 S C -1.274 173.426 174.600 0.168 0.000 1.087 281 S CA -0.530 57.850 58.200 0.299 0.000 1.042 281 S CB 1.646 65.063 63.200 0.361 0.000 1.043 281 S HN 0.584 nan 8.310 nan 0.000 0.489 282 L N 3.526 124.806 121.223 0.095 0.000 2.436 282 L HA 0.687 5.027 4.340 0.000 0.000 0.268 282 L C -1.946 174.913 176.870 -0.019 0.000 0.974 282 L CA -0.350 54.520 54.840 0.050 0.000 0.826 282 L CB 1.939 44.034 42.059 0.060 0.000 1.291 282 L HN 0.688 nan 8.230 nan 0.000 0.406 283 D N 4.688 125.036 120.400 -0.086 0.000 2.757 283 D HA 0.326 4.966 4.640 0.000 0.000 0.249 283 D C 0.208 176.347 176.300 -0.269 0.000 1.168 283 D CA -0.448 53.406 54.000 -0.244 0.000 0.870 283 D CB 1.831 42.359 40.800 -0.453 0.000 1.411 283 D HN 0.458 nan 8.370 nan 0.000 0.525 284 M N 1.632 121.127 119.600 -0.174 0.000 2.502 284 M HA 0.047 4.527 4.480 0.000 0.000 0.243 284 M C 0.163 176.471 176.300 0.013 0.000 1.130 284 M CA 0.208 55.474 55.300 -0.056 0.000 1.055 284 M CB -0.774 31.816 32.600 -0.016 0.000 1.457 284 M HN 0.499 nan 8.290 nan 0.000 0.488 285 H N 0.242 119.324 119.070 0.020 0.000 2.713 285 H HA -0.158 4.398 4.556 0.000 0.000 0.311 285 H C 1.337 176.672 175.328 0.013 0.000 1.175 285 H CA 0.921 56.979 56.048 0.016 0.000 1.143 285 H CB -2.120 27.652 29.762 0.018 0.000 1.434 285 H HN 0.654 nan 8.280 nan 0.000 0.418 286 G N -0.530 108.311 108.800 0.069 0.000 2.175 286 G HA2 -0.340 3.620 3.960 0.000 0.000 0.265 286 G HA3 -0.340 3.620 3.960 0.000 0.000 0.265 286 G C 0.342 175.270 174.900 0.047 0.000 0.979 286 G CA 0.938 46.067 45.100 0.049 0.000 0.663 286 G HN 0.410 nan 8.290 nan 0.000 0.533 287 K N 0.179 120.614 120.400 0.058 0.000 2.118 287 K HA 0.504 4.824 4.320 0.000 0.000 0.254 287 K C 0.865 177.484 176.600 0.031 0.000 0.961 287 K CA -0.895 55.420 56.287 0.047 0.000 0.876 287 K CB 1.168 33.704 32.500 0.060 0.000 1.077 287 K HN 0.295 nan 8.250 nan 0.000 0.440 288 R N 1.882 122.397 120.500 0.025 0.000 2.738 288 R HA 0.130 4.470 4.340 0.000 0.000 0.268 288 R C -1.855 174.456 176.300 0.018 0.000 1.062 288 R CA -1.118 54.992 56.100 0.017 0.000 1.158 288 R CB 0.075 30.385 30.300 0.016 0.000 1.046 288 R HN 0.438 nan 8.270 nan 0.000 0.493 289 P HA 0.113 nan 4.420 nan 0.000 0.276 289 P C -1.228 176.082 177.300 0.016 0.000 1.244 289 P CA -0.213 62.892 63.100 0.009 0.000 0.801 289 P CB 0.852 32.543 31.700 -0.014 0.000 1.006 290 K N 0.599 121.013 120.400 0.024 0.000 2.138 290 K HA 0.544 4.864 4.320 0.000 0.000 0.263 290 K C 0.145 176.760 176.600 0.025 0.000 0.965 290 K CA -0.736 55.566 56.287 0.025 0.000 0.868 290 K CB 1.649 34.167 32.500 0.030 0.000 1.083 290 K HN 0.528 nan 8.250 nan 0.000 0.443 291 A N 2.044 124.874 122.820 0.016 0.000 2.498 291 A HA 0.307 4.627 4.320 0.000 0.000 0.239 291 A C 0.371 177.965 177.584 0.017 0.000 1.068 291 A CA -0.320 51.723 52.037 0.009 0.000 0.766 291 A CB -0.018 18.976 19.000 -0.010 0.000 1.003 291 A HN 0.566 nan 8.150 nan 0.000 0.497 292 V N -0.547 119.383 119.914 0.025 0.000 3.141 292 V HA 0.859 4.979 4.120 0.000 0.000 0.312 292 V C -0.077 176.004 176.094 -0.021 0.000 1.157 292 V CA -0.679 61.634 62.300 0.021 0.000 1.041 292 V CB 1.637 33.505 31.823 0.074 0.000 1.071 292 V HN 0.767 nan 8.190 nan 0.000 0.441 293 T N 1.584 116.107 114.554 -0.052 0.000 2.794 293 T HA 0.722 5.072 4.350 0.000 0.000 0.280 293 T C -0.551 174.047 174.700 -0.171 0.000 0.987 293 T CA -0.290 61.755 62.100 -0.091 0.000 0.993 293 T CB 1.333 70.158 68.868 -0.072 0.000 0.939 293 T HN 0.738 nan 8.240 nan 0.000 0.449 294 V N 3.810 123.584 119.914 -0.233 0.000 2.656 294 V HA 0.636 4.756 4.120 0.000 0.000 0.307 294 V C -0.117 175.792 176.094 -0.309 0.000 1.051 294 V CA -0.996 61.030 62.300 -0.455 0.000 0.893 294 V CB 2.024 33.467 31.823 -0.634 0.000 0.999 294 V HN 0.747 nan 8.190 nan 0.000 0.426 295 R N 2.502 122.822 120.500 -0.300 0.000 2.507 295 R HA 0.485 4.825 4.340 0.000 0.000 0.298 295 R C -0.105 176.175 176.300 -0.032 0.000 1.087 295 R CA -0.299 55.730 56.100 -0.117 0.000 0.917 295 R CB 1.557 31.815 30.300 -0.070 0.000 1.173 295 R HN 0.942 nan 8.270 nan 0.000 0.472 296 T N 1.003 115.584 114.554 0.044 0.000 2.918 296 T HA 0.697 5.047 4.350 0.000 0.000 0.302 296 T C 0.148 174.885 174.700 0.061 0.000 1.045 296 T CA -0.204 61.985 62.100 0.149 0.000 1.114 296 T CB 1.634 70.594 68.868 0.153 0.000 0.965 296 T HN 0.658 nan 8.240 nan 0.000 0.540 297 A N 2.868 125.721 122.820 0.055 0.000 2.566 297 A HA 0.737 5.057 4.320 0.000 0.000 0.290 297 A C -3.153 174.429 177.584 -0.003 0.000 1.071 297 A CA -1.744 50.295 52.037 0.003 0.000 0.658 297 A CB 0.215 19.216 19.000 0.003 0.000 1.285 297 A HN 0.650 nan 8.150 nan 0.000 0.427 298 P HA 0.207 nan 4.420 nan 0.000 0.266 298 P C -0.362 176.951 177.300 0.023 0.000 1.193 298 P CA 0.499 63.601 63.100 0.004 0.000 0.770 298 P CB 0.122 31.820 31.700 -0.003 0.000 0.836 299 H N 4.835 123.886 119.070 -0.032 0.000 2.948 299 H HA 0.031 4.587 4.556 0.000 0.000 0.351 299 H C -1.037 174.278 175.328 -0.022 0.000 1.079 299 H CA -0.749 55.280 56.048 -0.033 0.000 1.407 299 H CB 0.354 30.097 29.762 -0.033 0.000 1.373 299 H HN 0.350 nan 8.280 nan 0.000 0.605 300 P HA 0.055 nan 4.420 nan 0.000 0.247 300 P C -0.282 176.738 177.300 -0.466 0.000 1.225 300 P CA 0.339 62.847 63.100 -0.986 0.000 0.768 300 P CB -0.098 31.250 31.700 -0.586 0.000 1.020 301 A N 0.422 123.110 122.820 -0.220 0.000 2.292 301 A HA 0.226 4.546 4.320 0.000 0.000 0.265 301 A C -0.176 177.381 177.584 -0.046 0.000 1.133 301 A CA -0.555 51.431 52.037 -0.086 0.000 0.807 301 A CB -0.569 18.416 19.000 -0.026 0.000 1.102 301 A HN 0.156 nan 8.150 nan 0.000 0.502 302 F N 1.754 121.639 119.950 -0.108 0.000 2.602 302 F HA 0.251 4.778 4.527 -0.000 0.000 0.385 302 F C -1.611 174.145 175.800 -0.072 0.000 1.063 302 F CA -1.197 56.733 58.000 -0.116 0.000 1.233 302 F CB 0.606 39.510 39.000 -0.160 0.000 1.067 302 F HN 0.270 nan 8.300 nan 0.000 0.564 303 P HA 0.086 nan 4.420 nan 0.000 0.280 303 P C 0.213 177.497 177.300 -0.027 0.000 1.244 303 P CA -0.238 62.756 63.100 -0.176 0.000 0.784 303 P CB 1.229 32.807 31.700 -0.204 0.000 0.913 304 T N 0.324 114.919 114.554 0.068 0.000 2.720 304 T HA -0.181 4.169 4.350 0.000 0.000 0.268 304 T C 0.982 175.760 174.700 0.130 0.000 1.037 304 T CA 1.606 63.788 62.100 0.136 0.000 1.144 304 T CB -0.955 68.010 68.868 0.162 0.000 0.864 304 T HN 0.347 nan 8.240 nan 0.000 0.444 305 D N 0.505 120.950 120.400 0.074 0.000 2.354 305 D HA -0.009 4.631 4.640 0.000 0.000 0.216 305 D C 1.424 177.759 176.300 0.058 0.000 0.970 305 D CA 0.720 54.753 54.000 0.055 0.000 0.905 305 D CB -0.139 40.674 40.800 0.021 0.000 0.903 305 D HN 0.302 nan 8.370 nan 0.000 0.508 306 M N -0.262 119.371 119.600 0.055 0.000 2.333 306 M HA 0.074 4.554 4.480 0.000 0.000 0.257 306 M C 1.615 178.151 176.300 0.394 0.000 1.078 306 M CA 0.119 55.517 55.300 0.162 0.000 1.005 306 M CB 0.377 32.960 32.600 -0.029 0.000 1.444 306 M HN 0.009 nan 8.290 nan 0.000 0.496 307 Q N 1.166 121.171 119.800 0.342 0.000 2.050 307 Q HA -0.122 4.218 4.340 0.000 0.000 0.202 307 Q C 1.762 177.927 176.000 0.276 0.000 0.980 307 Q CA 2.184 58.212 55.803 0.374 0.000 0.840 307 Q CB 0.066 28.984 28.738 0.300 0.000 0.898 307 Q HN 0.462 nan 8.270 nan 0.000 0.424 308 A N 0.600 123.453 122.820 0.056 0.000 1.902 308 A HA -0.248 4.072 4.320 0.000 0.000 0.217 308 A C 2.017 179.555 177.584 -0.077 0.000 1.181 308 A CA 1.794 53.631 52.037 -0.333 0.000 0.623 308 A CB -0.545 18.084 19.000 -0.618 0.000 0.818 308 A HN 0.489 nan 8.150 nan 0.000 0.443 309 Q N -1.197 118.637 119.800 0.057 0.000 2.084 309 Q HA -0.086 4.254 4.340 0.000 0.000 0.202 309 Q C 1.631 177.675 176.000 0.074 0.000 0.978 309 Q CA 1.695 57.532 55.803 0.058 0.000 0.844 309 Q CB -0.443 28.344 28.738 0.082 0.000 0.898 309 Q HN 0.689 nan 8.270 nan 0.000 0.426 310 F N -0.099 119.925 119.950 0.122 0.000 2.407 310 F HA -0.073 4.454 4.527 0.000 0.000 0.299 310 F C 2.141 177.988 175.800 0.078 0.000 1.097 310 F CA 1.039 59.109 58.000 0.115 0.000 1.422 310 F CB -0.316 38.776 39.000 0.153 0.000 1.067 310 F HN 0.011 nan 8.300 nan 0.000 0.539 311 T N 0.529 115.239 114.554 0.260 0.000 2.777 311 T HA -0.181 4.169 4.350 0.000 0.000 0.266 311 T C 2.045 176.828 174.700 0.138 0.000 1.040 311 T CA 1.318 63.550 62.100 0.220 0.000 1.141 311 T CB -0.509 68.611 68.868 0.420 0.000 0.868 311 T HN 0.165 nan 8.240 nan 0.000 0.444 312 L N 1.311 122.605 121.223 0.118 0.000 2.046 312 L HA 0.075 4.415 4.340 0.000 0.000 0.208 312 L C 2.195 179.068 176.870 0.005 0.000 1.077 312 L CA 1.506 56.383 54.840 0.061 0.000 0.747 312 L CB -0.863 41.214 42.059 0.031 0.000 0.896 312 L HN 0.262 nan 8.230 nan 0.000 0.432 313 L N -0.369 120.825 121.223 -0.048 0.000 2.042 313 L HA -0.251 4.089 4.340 0.000 0.000 0.210 313 L C 2.258 179.108 176.870 -0.033 0.000 1.076 313 L CA 1.762 56.547 54.840 -0.092 0.000 0.749 313 L CB -0.584 41.328 42.059 -0.245 0.000 0.893 313 L HN 0.384 nan 8.230 nan 0.000 0.432 314 N N 0.090 118.791 118.700 0.001 0.000 2.120 314 N HA -0.176 4.564 4.740 0.000 0.000 0.188 314 N C 1.805 177.309 175.510 -0.010 0.000 1.024 314 N CA 1.589 54.639 53.050 -0.000 0.000 0.852 314 N CB -0.435 38.051 38.487 -0.002 0.000 1.003 314 N HN 0.372 nan 8.380 nan 0.000 0.424 315 L N 0.407 121.632 121.223 0.003 0.000 2.456 315 L HA -0.040 4.300 4.340 0.000 0.000 0.224 315 L C 1.170 178.054 176.870 0.023 0.000 1.148 315 L CA 0.505 55.353 54.840 0.013 0.000 0.825 315 L CB -0.057 42.021 42.059 0.031 0.000 0.937 315 L HN 0.079 nan 8.230 nan 0.000 0.450 316 V N -4.712 115.209 119.914 0.013 0.000 3.078 316 V HA 0.593 4.713 4.120 0.000 0.000 0.344 316 V C 0.484 176.583 176.094 0.009 0.000 1.409 316 V CA -0.322 61.987 62.300 0.014 0.000 1.146 316 V CB -0.214 31.613 31.823 0.008 0.000 1.126 316 V HN 0.087 nan 8.190 nan 0.000 0.513 317 A N 0.068 122.892 122.820 0.007 0.000 2.282 317 A HA 0.776 5.096 4.320 0.000 0.000 0.324 317 A C -0.094 177.499 177.584 0.016 0.000 1.119 317 A CA -0.737 51.304 52.037 0.007 0.000 0.880 317 A CB 0.794 19.794 19.000 0.001 0.000 1.294 317 A HN 0.511 nan 8.150 nan 0.000 0.493 318 E N 0.044 120.254 120.200 0.017 0.000 2.152 318 E HA 0.457 4.807 4.350 0.000 0.000 0.285 318 E C 0.488 177.100 176.600 0.020 0.000 1.043 318 E CA 0.857 57.270 56.400 0.022 0.000 0.839 318 E CB 0.709 30.422 29.700 0.021 0.000 1.069 318 E HN 1.276 nan 8.360 nan 0.000 0.399 319 G N 2.546 111.362 108.800 0.026 0.000 2.526 319 G HA2 -0.179 3.781 3.960 0.000 0.000 0.250 319 G HA3 -0.179 3.781 3.960 0.000 0.000 0.250 319 G C -0.530 174.381 174.900 0.018 0.000 1.289 319 G CA -0.869 44.246 45.100 0.025 0.000 0.947 319 G HN 0.434 nan 8.290 nan 0.000 0.517 320 T N 0.658 115.217 114.554 0.008 0.000 2.797 320 T HA 0.730 5.080 4.350 0.000 0.000 0.279 320 T C 0.528 175.184 174.700 -0.072 0.000 0.991 320 T CA 0.532 62.607 62.100 -0.041 0.000 0.979 320 T CB 1.444 70.329 68.868 0.028 0.000 0.943 320 T HN 1.685 nan 8.240 nan 0.000 0.444 321 G N 1.142 109.867 108.800 -0.125 0.000 2.619 321 G HA2 0.664 4.624 3.960 0.000 0.000 0.296 321 G HA3 0.664 4.624 3.960 0.000 0.000 0.296 321 G C -1.510 173.310 174.900 -0.132 0.000 1.334 321 G CA -0.569 44.474 45.100 -0.094 0.000 0.934 321 G HN 0.675 nan 8.290 nan 0.000 0.476 322 V N 1.729 121.580 119.914 -0.105 0.000 2.540 322 V HA 0.489 4.609 4.120 0.000 0.000 0.302 322 V C -0.615 175.420 176.094 -0.098 0.000 1.035 322 V CA -0.857 61.373 62.300 -0.115 0.000 0.873 322 V CB 1.649 33.414 31.823 -0.096 0.000 0.992 322 V HN 0.561 nan 8.190 nan 0.000 0.428 323 I N 3.215 123.729 120.570 -0.093 0.000 2.378 323 I HA 0.509 4.679 4.170 0.000 0.000 0.291 323 I C 0.148 176.266 176.117 0.003 0.000 0.992 323 I CA -0.079 61.197 61.300 -0.040 0.000 1.154 323 I CB 1.641 39.667 38.000 0.043 0.000 1.315 323 I HN 0.563 nan 8.210 nan 0.000 0.448 324 T N 5.298 119.869 114.554 0.027 0.000 2.812 324 T HA 0.322 4.672 4.350 0.000 0.000 0.282 324 T C -0.142 174.639 174.700 0.134 0.000 0.990 324 T CA -0.587 61.564 62.100 0.085 0.000 0.960 324 T CB 1.851 70.730 68.868 0.020 0.000 0.948 324 T HN 0.317 nan 8.240 nan 0.000 0.438 325 E N 2.081 122.418 120.200 0.228 0.000 2.156 325 E HA 0.329 4.679 4.350 0.000 0.000 0.279 325 E C 0.672 177.312 176.600 0.066 0.000 0.965 325 E CA -0.163 56.320 56.400 0.139 0.000 0.789 325 E CB 1.690 31.442 29.700 0.087 0.000 1.098 325 E HN 0.818 nan 8.360 nan 0.000 0.397 326 T N -0.351 114.207 114.554 0.008 0.000 3.040 326 T HA 0.199 4.549 4.350 0.000 0.000 0.266 326 T C 1.261 175.903 174.700 -0.096 0.000 1.005 326 T CA -0.201 61.885 62.100 -0.023 0.000 0.906 326 T CB 0.178 69.034 68.868 -0.020 0.000 1.082 326 T HN 0.235 nan 8.240 nan 0.000 0.531 327 I N -0.143 120.323 120.570 -0.174 0.000 2.685 327 I HA 0.394 4.564 4.170 0.000 0.000 0.251 327 I C 0.021 175.783 176.117 -0.592 0.000 1.102 327 I CA 0.281 61.317 61.300 -0.440 0.000 1.442 327 I CB -0.394 37.261 38.000 -0.576 0.000 1.194 327 I HN 0.209 nan 8.210 nan 0.000 0.448 328 F N 1.196 121.119 119.950 -0.047 0.000 2.646 328 F HA 0.326 4.853 4.527 0.000 0.000 0.364 328 F C 0.715 176.431 175.800 -0.140 0.000 1.137 328 F CA -0.596 57.355 58.000 -0.081 0.000 1.085 328 F CB 0.921 39.862 39.000 -0.097 0.000 1.331 328 F HN -0.106 nan 8.300 nan 0.000 0.472 329 E N 1.037 121.272 120.200 0.059 0.000 2.438 329 E HA -0.053 4.297 4.350 0.000 0.000 0.192 329 E C 0.530 177.118 176.600 -0.021 0.000 1.110 329 E CA 0.213 56.624 56.400 0.018 0.000 0.893 329 E CB -0.255 29.489 29.700 0.074 0.000 0.990 329 E HN 0.700 nan 8.360 nan 0.000 0.490 330 N N -0.279 118.365 118.700 -0.094 0.000 2.241 330 N HA 0.065 4.805 4.740 0.000 0.000 0.238 330 N C 0.497 175.880 175.510 -0.213 0.000 1.244 330 N CA -0.383 52.613 53.050 -0.090 0.000 0.880 330 N CB 0.502 38.976 38.487 -0.021 0.000 1.179 330 N HN -0.131 nan 8.380 nan 0.000 0.513 331 R N 0.977 121.190 120.500 -0.478 0.000 4.231 331 R HA 0.233 4.573 4.340 0.000 0.000 0.250 331 R C -1.002 175.022 176.300 -0.460 0.000 1.600 331 R CA -0.229 55.634 56.100 -0.395 0.000 1.523 331 R CB -0.366 29.785 30.300 -0.248 0.000 1.422 331 R HN 0.264 nan 8.270 nan 0.000 0.759 332 F N 0.381 120.375 119.950 0.074 0.000 2.815 332 F HA 0.151 4.678 4.527 -0.000 0.000 0.335 332 F C 1.174 176.890 175.800 -0.140 0.000 1.179 332 F CA -0.697 57.266 58.000 -0.062 0.000 1.204 332 F CB 0.805 39.749 39.000 -0.093 0.000 1.050 332 F HN 0.172 nan 8.300 nan 0.000 0.510 333 M N 0.234 119.910 119.600 0.127 0.000 2.279 333 M HA -0.166 4.314 4.480 0.000 0.000 0.264 333 M C 2.527 178.870 176.300 0.071 0.000 1.062 333 M CA 1.533 56.877 55.300 0.075 0.000 1.099 333 M CB -1.320 31.312 32.600 0.053 0.000 1.394 333 M HN 0.402 nan 8.290 nan 0.000 0.426 334 H N -0.774 118.344 119.070 0.079 0.000 2.491 334 H HA 0.050 4.606 4.556 0.000 0.000 0.290 334 H C 1.944 177.315 175.328 0.072 0.000 1.050 334 H CA 1.111 57.199 56.048 0.065 0.000 1.309 334 H CB -1.248 28.555 29.762 0.069 0.000 1.392 334 H HN 0.231 nan 8.280 nan 0.000 0.554 335 V N 2.218 121.912 119.914 -0.367 0.000 2.261 335 V HA -0.144 3.976 4.120 0.000 0.000 0.246 335 V C -0.260 175.794 176.094 -0.066 0.000 1.047 335 V CA 1.904 64.071 62.300 -0.222 0.000 1.015 335 V CB -1.438 30.226 31.823 -0.265 0.000 0.642 335 V HN 0.401 nan 8.190 nan 0.000 0.446 336 P HA -0.124 nan 4.420 nan 0.000 0.216 336 P C 1.617 178.923 177.300 0.010 0.000 1.150 336 P CA 1.218 64.314 63.100 -0.006 0.000 0.837 336 P CB -0.023 31.678 31.700 0.002 0.000 0.786 337 E N -0.376 119.837 120.200 0.021 0.000 2.051 337 E HA -0.114 4.236 4.350 0.000 0.000 0.192 337 E C 2.123 178.747 176.600 0.040 0.000 0.991 337 E CA 1.055 57.477 56.400 0.036 0.000 0.799 337 E CB -0.981 28.752 29.700 0.054 0.000 0.748 337 E HN 0.321 nan 8.360 nan 0.000 0.449 338 L N 0.457 121.709 121.223 0.047 0.000 2.201 338 L HA -0.085 4.255 4.340 0.000 0.000 0.212 338 L C 2.484 179.377 176.870 0.038 0.000 1.105 338 L CA 0.546 55.417 54.840 0.051 0.000 0.775 338 L CB -0.290 41.812 42.059 0.070 0.000 0.913 338 L HN 0.073 nan 8.230 nan 0.000 0.440 339 I N -0.489 120.098 120.570 0.028 0.000 2.394 339 I HA -0.236 3.934 4.170 0.000 0.000 0.251 339 I C 2.462 178.593 176.117 0.024 0.000 1.136 339 I CA 1.080 62.398 61.300 0.030 0.000 1.425 339 I CB -0.227 37.787 38.000 0.023 0.000 1.079 339 I HN 0.201 nan 8.210 nan 0.000 0.425 340 R N 0.188 120.701 120.500 0.021 0.000 2.280 340 R HA -0.000 4.340 4.340 0.000 0.000 0.207 340 R C 1.748 178.059 176.300 0.020 0.000 1.043 340 R CA 0.826 56.937 56.100 0.018 0.000 1.006 340 R CB -0.098 30.212 30.300 0.018 0.000 0.885 340 R HN 0.393 nan 8.270 nan 0.000 0.467 341 M N -0.790 118.826 119.600 0.026 0.000 2.428 341 M HA 0.153 4.633 4.480 0.000 0.000 0.239 341 M C 0.599 176.914 176.300 0.025 0.000 1.121 341 M CA 0.351 55.667 55.300 0.026 0.000 1.019 341 M CB 1.228 33.847 32.600 0.031 0.000 1.485 341 M HN 0.393 nan 8.290 nan 0.000 0.484 342 G N 0.515 109.330 108.800 0.025 0.000 2.163 342 G HA2 -0.144 3.816 3.960 0.000 0.000 0.213 342 G HA3 -0.144 3.816 3.960 0.000 0.000 0.213 342 G C 0.130 175.057 174.900 0.044 0.000 0.991 342 G CA -0.087 45.028 45.100 0.024 0.000 0.653 342 G HN 0.621 nan 8.290 nan 0.000 0.518 343 A N -0.068 122.785 122.820 0.055 0.000 2.313 343 A HA 0.670 4.990 4.320 0.000 0.000 0.261 343 A C 0.058 177.728 177.584 0.144 0.000 1.090 343 A CA 0.414 52.502 52.037 0.086 0.000 0.807 343 A CB 0.410 19.450 19.000 0.065 0.000 1.055 343 A HN 1.014 nan 8.150 nan 0.000 0.492 344 H N -0.149 118.947 119.070 0.045 0.000 2.708 344 H HA 0.589 5.145 4.556 0.000 0.000 0.320 344 H C -0.496 174.895 175.328 0.105 0.000 0.991 344 H CA -0.114 55.983 56.048 0.080 0.000 1.243 344 H CB 0.713 30.536 29.762 0.103 0.000 1.446 344 H HN 0.954 nan 8.280 nan 0.000 0.502 345 A N 4.291 127.251 122.820 0.233 0.000 2.599 345 A HA 0.499 4.819 4.320 0.000 0.000 0.290 345 A C -1.562 176.049 177.584 0.045 0.000 1.101 345 A CA -0.915 51.142 52.037 0.033 0.000 0.674 345 A CB 2.027 20.991 19.000 -0.061 0.000 1.277 345 A HN 0.683 nan 8.150 nan 0.000 0.419 346 E N 0.255 120.427 120.200 -0.047 0.000 2.263 346 E HA 0.556 4.906 4.350 0.000 0.000 0.268 346 E C -1.275 175.245 176.600 -0.133 0.000 0.884 346 E CA -0.134 56.240 56.400 -0.044 0.000 0.766 346 E CB 1.956 31.656 29.700 0.001 0.000 1.196 346 E HN 0.521 nan 8.360 nan 0.000 0.416 347 I N 2.667 123.157 120.570 -0.132 0.000 2.325 347 I HA 0.217 4.387 4.170 0.000 0.000 0.291 347 I C -0.163 175.885 176.117 -0.114 0.000 1.019 347 I CA -0.048 61.130 61.300 -0.203 0.000 1.302 347 I CB 0.848 38.757 38.000 -0.152 0.000 1.401 347 I HN 0.409 nan 8.210 nan 0.000 0.485 348 E N 5.219 125.345 120.200 -0.123 0.000 2.373 348 E HA 0.338 4.688 4.350 0.000 0.000 0.251 348 E C -0.151 176.435 176.600 -0.023 0.000 0.923 348 E CA -0.153 56.215 56.400 -0.053 0.000 0.798 348 E CB 1.630 31.302 29.700 -0.047 0.000 1.303 348 E HN 0.730 nan 8.360 nan 0.000 0.412 349 S N 3.554 119.265 115.700 0.019 0.000 4.118 349 S HA -0.257 4.213 4.470 0.000 0.000 0.624 349 S C 0.501 175.179 174.600 0.129 0.000 1.929 349 S CA 1.586 59.822 58.200 0.059 0.000 4.219 349 S CB -0.995 62.230 63.200 0.040 0.000 0.206 349 S HN 0.837 nan 8.310 nan 0.000 0.525 350 N N 2.575 121.365 118.700 0.150 0.000 2.320 350 N HA 0.219 4.959 4.740 0.000 0.000 0.237 350 N C -0.006 175.693 175.510 0.314 0.000 1.129 350 N CA 0.824 54.057 53.050 0.305 0.000 0.854 350 N CB -0.059 38.546 38.487 0.196 0.000 1.083 350 N HN 0.944 nan 8.380 nan 0.000 0.504 351 T N -3.140 111.435 114.554 0.036 0.000 2.906 351 T HA 0.628 4.978 4.350 0.000 0.000 0.295 351 T C -0.762 173.652 174.700 -0.477 0.000 1.075 351 T CA -0.718 61.296 62.100 -0.143 0.000 1.005 351 T CB 2.016 70.836 68.868 -0.080 0.000 1.136 351 T HN -0.144 nan 8.240 nan 0.000 0.498 352 V N 2.717 122.340 119.914 -0.485 0.000 2.444 352 V HA 0.424 4.544 4.120 0.000 0.000 0.294 352 V C -0.546 175.374 176.094 -0.290 0.000 1.022 352 V CA -0.996 61.015 62.300 -0.482 0.000 0.850 352 V CB 1.425 32.922 31.823 -0.542 0.000 0.992 352 V HN 0.809 nan 8.190 nan 0.000 0.426 353 I N 3.975 124.387 120.570 -0.263 0.000 2.312 353 I HA 0.323 4.493 4.170 0.000 0.000 0.291 353 I C 0.183 176.026 176.117 -0.456 0.000 1.031 353 I CA -0.001 61.120 61.300 -0.298 0.000 1.293 353 I CB 0.781 38.649 38.000 -0.220 0.000 1.403 353 I HN 0.557 nan 8.210 nan 0.000 0.484 354 C N 6.374 125.386 119.300 -0.481 0.000 2.341 354 C HA 0.482 4.942 4.460 0.000 0.000 0.338 354 C C 0.240 174.821 174.990 -0.682 0.000 1.257 354 C CA -0.604 58.135 59.018 -0.465 0.000 1.883 354 C CB 0.504 28.116 27.740 -0.214 0.000 2.334 354 C HN 0.626 nan 8.230 nan 0.000 0.524 355 H N 1.228 120.181 119.070 -0.194 0.000 2.887 355 H HA 0.301 4.857 4.556 0.000 0.000 0.300 355 H C 0.493 175.779 175.328 -0.070 0.000 1.038 355 H CA -0.072 55.855 56.048 -0.202 0.000 1.352 355 H CB 1.073 30.539 29.762 -0.493 0.000 1.473 355 H HN 0.957 nan 8.280 nan 0.000 0.503 356 G N 2.145 110.968 108.800 0.037 0.000 2.321 356 G HA2 0.260 4.220 3.960 0.000 0.000 0.237 356 G HA3 0.260 4.220 3.960 0.000 0.000 0.237 356 G C 0.521 175.468 174.900 0.078 0.000 1.282 356 G CA -0.118 45.011 45.100 0.047 0.000 0.886 356 G HN 0.430 nan 8.290 nan 0.000 0.528 357 V N 0.346 120.304 119.914 0.073 0.000 2.994 357 V HA 0.536 4.656 4.120 0.000 0.000 0.318 357 V C 1.200 177.321 176.094 0.045 0.000 1.085 357 V CA -0.544 61.798 62.300 0.071 0.000 0.998 357 V CB 1.890 33.759 31.823 0.078 0.000 1.063 357 V HN 0.853 nan 8.190 nan 0.000 0.447 358 E N 1.227 121.449 120.200 0.037 0.000 2.031 358 E HA -0.105 4.245 4.350 0.000 0.000 0.193 358 E C 0.697 177.310 176.600 0.022 0.000 0.994 358 E CA 1.471 57.887 56.400 0.026 0.000 0.800 358 E CB 0.218 29.932 29.700 0.022 0.000 0.752 358 E HN 0.706 nan 8.360 nan 0.000 0.447 359 K N -0.215 120.198 120.400 0.023 0.000 2.527 359 K HA 0.344 4.664 4.320 0.000 0.000 0.260 359 K C -1.264 175.348 176.600 0.021 0.000 0.937 359 K CA -0.628 55.670 56.287 0.019 0.000 0.826 359 K CB 1.384 33.892 32.500 0.014 0.000 1.359 359 K HN 0.008 nan 8.250 nan 0.000 0.434 360 L N 1.431 122.666 121.223 0.020 0.000 2.387 360 L HA 0.476 4.816 4.340 0.000 0.000 0.266 360 L C -0.176 176.704 176.870 0.017 0.000 1.059 360 L CA -0.777 54.076 54.840 0.021 0.000 0.801 360 L CB 1.917 43.989 42.059 0.023 0.000 1.223 360 L HN 0.609 nan 8.230 nan 0.000 0.456 361 S N -0.405 115.306 115.700 0.018 0.000 2.513 361 S HA 0.518 4.988 4.470 0.000 0.000 0.299 361 S C 0.093 174.703 174.600 0.017 0.000 1.087 361 S CA -0.692 57.517 58.200 0.015 0.000 1.012 361 S CB 1.815 65.022 63.200 0.012 0.000 1.044 361 S HN 0.780 nan 8.310 nan 0.000 0.485 362 G N 1.048 109.858 108.800 0.016 0.000 2.559 362 G HA2 0.504 4.464 3.960 0.000 0.000 0.235 362 G HA3 0.504 4.464 3.960 0.000 0.000 0.235 362 G C -0.182 174.730 174.900 0.020 0.000 1.266 362 G CA 0.289 45.400 45.100 0.019 0.000 0.847 362 G HN 1.046 nan 8.290 nan 0.000 0.583 363 A N 1.106 123.940 122.820 0.023 0.000 2.511 363 A HA 0.654 4.974 4.320 0.000 0.000 0.293 363 A C -0.712 176.888 177.584 0.027 0.000 1.098 363 A CA -0.718 51.333 52.037 0.023 0.000 0.643 363 A CB 0.849 19.862 19.000 0.022 0.000 1.302 363 A HN 0.609 nan 8.150 nan 0.000 0.446 364 Q N 0.659 120.474 119.800 0.024 0.000 2.322 364 Q HA 0.507 4.847 4.340 0.000 0.000 0.256 364 Q C -0.417 175.599 176.000 0.027 0.000 0.960 364 Q CA -0.444 55.375 55.803 0.026 0.000 0.934 364 Q CB 1.431 30.182 28.738 0.022 0.000 1.200 364 Q HN 0.961 nan 8.270 nan 0.000 0.435 365 V N -0.125 119.807 119.914 0.031 0.000 3.102 365 V HA 0.804 4.924 4.120 0.000 0.000 0.312 365 V C -0.627 175.484 176.094 0.029 0.000 1.135 365 V CA -1.040 61.279 62.300 0.032 0.000 1.022 365 V CB 2.686 34.531 31.823 0.038 0.000 1.056 365 V HN 0.760 nan 8.190 nan 0.000 0.436 366 M N 1.942 121.558 119.600 0.027 0.000 2.414 366 M HA 0.835 5.315 4.480 0.000 0.000 0.287 366 M C -1.837 174.471 176.300 0.013 0.000 1.181 366 M CA -0.125 55.187 55.300 0.020 0.000 0.933 366 M CB 1.959 34.572 32.600 0.022 0.000 1.732 366 M HN 1.574 nan 8.290 nan 0.000 0.486 367 A N 1.855 124.669 122.820 -0.009 0.000 2.517 367 A HA 0.612 4.932 4.320 0.000 0.000 0.297 367 A C 0.237 177.724 177.584 -0.161 0.000 1.050 367 A CA 0.066 52.075 52.037 -0.046 0.000 0.694 367 A CB 1.021 20.013 19.000 -0.013 0.000 1.277 367 A HN 0.922 nan 8.150 nan 0.000 0.400 368 T N -1.526 112.866 114.554 -0.269 0.000 3.081 368 T HA 0.122 4.472 4.350 0.000 0.000 0.255 368 T C 0.341 174.579 174.700 -0.769 0.000 1.113 368 T CA 1.059 62.745 62.100 -0.690 0.000 1.082 368 T CB -0.385 68.245 68.868 -0.395 0.000 0.939 368 T HN 0.663 nan 8.240 nan 0.000 0.506 369 D N 0.706 120.889 120.400 -0.361 0.000 2.277 369 D HA 0.263 4.903 4.640 0.000 0.000 0.249 369 D C 1.232 177.432 176.300 -0.167 0.000 1.134 369 D CA -0.646 53.208 54.000 -0.243 0.000 0.863 369 D CB 1.079 41.798 40.800 -0.136 0.000 1.143 369 D HN 0.011 nan 8.370 nan 0.000 0.458 370 L N 4.748 125.911 121.223 -0.099 0.000 2.021 370 L HA -0.231 4.109 4.340 0.000 0.000 0.215 370 L C 1.885 178.809 176.870 0.090 0.000 1.074 370 L CA 1.726 56.589 54.840 0.038 0.000 0.760 370 L CB -0.203 41.904 42.059 0.080 0.000 0.889 370 L HN 0.448 nan 8.230 nan 0.000 0.433 371 R N -0.042 120.490 120.500 0.052 0.000 2.093 371 R HA 0.101 4.441 4.340 0.000 0.000 0.224 371 R C 2.262 178.539 176.300 -0.038 0.000 1.101 371 R CA 1.250 57.383 56.100 0.055 0.000 0.979 371 R CB -1.405 28.917 30.300 0.037 0.000 0.877 371 R HN 0.552 nan 8.270 nan 0.000 0.441 372 A N 0.587 123.361 122.820 -0.077 0.000 1.930 372 A HA -0.124 4.196 4.320 0.000 0.000 0.217 372 A C 2.403 179.960 177.584 -0.045 0.000 1.175 372 A CA 1.780 53.751 52.037 -0.110 0.000 0.627 372 A CB -0.553 18.436 19.000 -0.019 0.000 0.815 372 A HN 0.315 nan 8.150 nan 0.000 0.443 373 S N -0.310 115.367 115.700 -0.038 0.000 2.356 373 S HA -0.057 4.413 4.470 0.000 0.000 0.223 373 S C 2.199 176.777 174.600 -0.037 0.000 1.032 373 S CA 1.591 59.776 58.200 -0.023 0.000 1.005 373 S CB -0.469 62.720 63.200 -0.019 0.000 0.867 373 S HN 0.804 nan 8.310 nan 0.000 0.449 374 A N 0.677 123.447 122.820 -0.082 0.000 1.933 374 A HA -0.027 4.293 4.320 0.000 0.000 0.218 374 A C 2.382 179.880 177.584 -0.143 0.000 1.175 374 A CA 2.050 53.966 52.037 -0.201 0.000 0.628 374 A CB -1.065 17.690 19.000 -0.407 0.000 0.814 374 A HN 0.571 nan 8.150 nan 0.000 0.444 375 S N -0.053 115.589 115.700 -0.096 0.000 2.382 375 S HA -0.102 4.368 4.470 0.000 0.000 0.228 375 S C 1.770 176.352 174.600 -0.030 0.000 1.027 375 S CA 1.447 59.604 58.200 -0.072 0.000 0.991 375 S CB -0.435 62.713 63.200 -0.088 0.000 0.823 375 S HN 0.530 nan 8.310 nan 0.000 0.469 376 L N 0.864 122.083 121.223 -0.006 0.000 2.093 376 L HA -0.060 4.280 4.340 0.000 0.000 0.208 376 L C 2.322 179.202 176.870 0.017 0.000 1.085 376 L CA 0.740 55.594 54.840 0.023 0.000 0.755 376 L CB -0.698 41.384 42.059 0.039 0.000 0.904 376 L HN 0.192 nan 8.230 nan 0.000 0.435 377 V N 0.208 120.126 119.914 0.008 0.000 2.295 377 V HA -0.293 3.827 4.120 0.000 0.000 0.246 377 V C 2.428 178.502 176.094 -0.034 0.000 1.049 377 V CA 1.656 63.961 62.300 0.009 0.000 1.024 377 V CB -0.391 31.435 31.823 0.005 0.000 0.648 377 V HN 0.344 nan 8.190 nan 0.000 0.447 378 L N -0.006 121.180 121.223 -0.062 0.000 2.046 378 L HA -0.183 4.157 4.340 0.000 0.000 0.208 378 L C 2.771 179.622 176.870 -0.031 0.000 1.077 378 L CA 1.598 56.401 54.840 -0.061 0.000 0.747 378 L CB -0.870 41.139 42.059 -0.084 0.000 0.896 378 L HN 0.384 nan 8.230 nan 0.000 0.432 379 A N 0.463 123.274 122.820 -0.015 0.000 1.908 379 A HA -0.171 4.149 4.320 0.000 0.000 0.218 379 A C 2.407 179.994 177.584 0.005 0.000 1.181 379 A CA 1.877 53.916 52.037 0.003 0.000 0.627 379 A CB -1.307 17.705 19.000 0.021 0.000 0.818 379 A HN 0.456 nan 8.150 nan 0.000 0.445 380 G N -0.983 107.821 108.800 0.008 0.000 2.442 380 G HA2 -0.278 3.682 3.960 0.000 0.000 0.219 380 G HA3 -0.278 3.682 3.960 0.000 0.000 0.219 380 G C 1.556 176.456 174.900 -0.000 0.000 1.141 380 G CA 1.305 46.411 45.100 0.011 0.000 0.763 380 G HN 0.537 nan 8.290 nan 0.000 0.554 381 C N 0.805 120.098 119.300 -0.012 0.000 2.422 381 C HA -0.001 4.459 4.460 0.000 0.000 0.279 381 C C 2.658 177.642 174.990 -0.009 0.000 1.305 381 C CA 0.918 59.926 59.018 -0.017 0.000 1.757 381 C CB -0.967 26.758 27.740 -0.025 0.000 1.962 381 C HN 0.662 nan 8.230 nan 0.000 0.499 382 I N -1.022 119.544 120.570 -0.007 0.000 3.860 382 I HA 0.362 4.532 4.170 0.000 0.000 0.319 382 I C 1.053 177.171 176.117 0.003 0.000 1.279 382 I CA -0.083 61.216 61.300 -0.003 0.000 1.220 382 I CB -0.423 37.574 38.000 -0.005 0.000 1.027 382 I HN 0.073 nan 8.210 nan 0.000 0.428 383 A N 1.703 124.527 122.820 0.006 0.000 2.332 383 A HA 0.354 4.674 4.320 0.000 0.000 0.258 383 A C -0.067 177.523 177.584 0.009 0.000 1.087 383 A CA -0.226 51.817 52.037 0.010 0.000 0.802 383 A CB 0.371 19.380 19.000 0.014 0.000 1.042 383 A HN 0.394 nan 8.150 nan 0.000 0.489 384 E N 0.182 120.388 120.200 0.010 0.000 2.223 384 E HA 0.475 4.825 4.350 0.000 0.000 0.282 384 E C 0.753 177.358 176.600 0.009 0.000 1.046 384 E CA 1.356 57.761 56.400 0.009 0.000 0.857 384 E CB -0.015 29.690 29.700 0.009 0.000 1.055 384 E HN 1.654 nan 8.360 nan 0.000 0.409 385 G N 3.398 112.203 108.800 0.009 0.000 2.508 385 G HA2 -0.185 3.775 3.960 0.000 0.000 0.220 385 G HA3 -0.185 3.775 3.960 0.000 0.000 0.220 385 G C -0.566 174.341 174.900 0.012 0.000 1.287 385 G CA -0.321 44.785 45.100 0.010 0.000 0.916 385 G HN 0.701 nan 8.290 nan 0.000 0.574 386 T N 0.927 115.490 114.554 0.015 0.000 2.824 386 T HA 0.690 5.040 4.350 0.000 0.000 0.280 386 T C -0.158 174.556 174.700 0.023 0.000 0.995 386 T CA 0.237 62.348 62.100 0.019 0.000 1.009 386 T CB 1.719 70.599 68.868 0.020 0.000 0.955 386 T HN 0.771 nan 8.240 nan 0.000 0.452 387 T N 2.223 116.795 114.554 0.030 0.000 2.841 387 T HA 0.546 4.896 4.350 0.000 0.000 0.283 387 T C -0.569 174.161 174.700 0.050 0.000 1.000 387 T CA -0.557 61.565 62.100 0.036 0.000 0.977 387 T CB 1.353 70.243 68.868 0.035 0.000 0.979 387 T HN 0.366 nan 8.240 nan 0.000 0.446 388 V N 3.755 123.698 119.914 0.049 0.000 2.350 388 V HA 0.378 4.498 4.120 0.000 0.000 0.285 388 V C -0.212 175.916 176.094 0.056 0.000 1.014 388 V CA -0.776 61.559 62.300 0.058 0.000 0.831 388 V CB 1.542 33.390 31.823 0.043 0.000 1.000 388 V HN 0.725 nan 8.190 nan 0.000 0.433 389 V N 4.018 123.979 119.914 0.077 0.000 2.348 389 V HA 0.326 4.446 4.120 0.000 0.000 0.270 389 V C 0.063 176.157 176.094 0.001 0.000 1.037 389 V CA -0.347 61.986 62.300 0.054 0.000 0.872 389 V CB 1.433 33.314 31.823 0.097 0.000 1.002 389 V HN 0.881 nan 8.190 nan 0.000 0.464 390 D N 4.082 124.479 120.400 -0.004 0.000 2.348 390 D HA 0.358 4.998 4.640 0.000 0.000 0.249 390 D C 0.689 176.966 176.300 -0.038 0.000 1.110 390 D CA -0.290 53.697 54.000 -0.021 0.000 0.967 390 D CB 0.600 41.405 40.800 0.008 0.000 1.139 390 D HN 0.428 nan 8.370 nan 0.000 0.466 391 R N 1.703 122.184 120.500 -0.032 0.000 3.336 391 R HA -0.163 4.177 4.340 0.000 0.000 0.260 391 R C 0.831 176.987 176.300 -0.240 0.000 1.032 391 R CA 0.601 56.664 56.100 -0.061 0.000 0.693 391 R CB -2.889 27.409 30.300 -0.003 0.000 1.134 391 R HN 0.547 nan 8.270 nan 0.000 0.433 392 I N -2.380 118.039 120.570 -0.252 0.000 3.444 392 I HA -0.089 4.081 4.170 0.000 0.000 0.287 392 I C 2.070 178.031 176.117 -0.259 0.000 1.302 392 I CA 0.372 61.473 61.300 -0.333 0.000 1.368 392 I CB -0.953 36.583 38.000 -0.774 0.000 1.048 392 I HN 0.329 nan 8.210 nan 0.000 0.487 393 Y N -0.453 119.695 120.300 -0.254 0.000 2.483 393 Y HA -0.122 4.428 4.550 0.000 0.000 0.291 393 Y C 2.181 177.969 175.900 -0.186 0.000 1.143 393 Y CA 1.128 59.096 58.100 -0.220 0.000 1.289 393 Y CB -1.468 36.842 38.460 -0.250 0.000 0.983 393 Y HN 0.213 nan 8.280 nan 0.000 0.556 394 H N 0.718 119.496 119.070 -0.486 0.000 2.357 394 H HA -0.069 4.487 4.556 0.000 0.000 0.301 394 H C 2.289 177.589 175.328 -0.046 0.000 1.082 394 H CA 1.911 57.781 56.048 -0.296 0.000 1.342 394 H CB -0.178 29.372 29.762 -0.352 0.000 1.389 394 H HN 0.463 nan 8.280 nan 0.000 0.511 395 I N 0.970 121.595 120.570 0.093 0.000 2.179 395 I HA -0.240 3.930 4.170 0.000 0.000 0.242 395 I C 2.021 178.276 176.117 0.230 0.000 1.088 395 I CA 1.176 62.590 61.300 0.190 0.000 1.357 395 I CB -0.196 37.873 38.000 0.114 0.000 1.051 395 I HN 0.060 nan 8.210 nan 0.000 0.409 396 D N 0.860 121.349 120.400 0.147 0.000 2.190 396 D HA -0.185 4.455 4.640 0.000 0.000 0.200 396 D C 2.263 178.649 176.300 0.145 0.000 0.992 396 D CA 1.233 55.325 54.000 0.153 0.000 0.854 396 D CB -0.236 40.632 40.800 0.113 0.000 0.936 396 D HN 0.340 nan 8.370 nan 0.000 0.462 397 R N -0.613 119.968 120.500 0.135 0.000 2.236 397 R HA 0.105 4.445 4.340 0.000 0.000 0.208 397 R C 1.880 178.234 176.300 0.090 0.000 1.036 397 R CA 0.945 57.111 56.100 0.110 0.000 1.001 397 R CB 0.214 30.583 30.300 0.115 0.000 0.896 397 R HN 0.121 nan 8.270 nan 0.000 0.464 398 G N -1.438 107.429 108.800 0.111 0.000 3.104 398 G HA2 0.089 4.049 3.960 0.000 0.000 0.237 398 G HA3 0.089 4.049 3.960 0.000 0.000 0.237 398 G C -0.386 174.442 174.900 -0.120 0.000 1.035 398 G CA -0.130 44.970 45.100 -0.001 0.000 0.844 398 G HN 0.039 nan 8.290 nan 0.000 0.531 399 Y N 0.085 120.426 120.300 0.068 0.000 2.462 399 Y HA 0.506 5.056 4.550 0.000 0.000 0.346 399 Y C -0.215 175.745 175.900 0.100 0.000 0.976 399 Y CA -1.161 56.990 58.100 0.085 0.000 1.044 399 Y CB 2.119 40.630 38.460 0.084 0.000 1.230 399 Y HN -0.040 nan 8.280 nan 0.000 0.455 400 E N 3.305 123.654 120.200 0.249 0.000 2.089 400 E HA 0.300 4.650 4.350 0.000 0.000 0.284 400 E C -0.545 176.169 176.600 0.191 0.000 1.023 400 E CA -0.484 56.020 56.400 0.174 0.000 0.819 400 E CB 0.272 30.043 29.700 0.117 0.000 1.076 400 E HN 0.565 nan 8.360 nan 0.000 0.396 401 R N 3.592 124.192 120.500 0.167 0.000 2.955 401 R HA -0.237 4.103 4.340 0.000 0.000 0.239 401 R C 1.057 177.448 176.300 0.153 0.000 0.848 401 R CA 0.230 56.417 56.100 0.145 0.000 0.586 401 R CB -1.443 28.915 30.300 0.097 0.000 1.098 401 R HN 0.765 nan 8.270 nan 0.000 0.499 402 I N 1.325 122.008 120.570 0.188 0.000 2.286 402 I HA -0.288 3.882 4.170 0.000 0.000 0.248 402 I C 2.604 178.746 176.117 0.042 0.000 1.115 402 I CA 1.930 63.332 61.300 0.170 0.000 1.392 402 I CB -0.037 37.984 38.000 0.034 0.000 1.065 402 I HN 0.528 nan 8.210 nan 0.000 0.418 403 E N 0.427 120.578 120.200 -0.081 0.000 2.150 403 E HA -0.277 4.073 4.350 0.000 0.000 0.193 403 E C 1.310 177.851 176.600 -0.098 0.000 0.985 403 E CA 1.825 58.083 56.400 -0.237 0.000 0.814 403 E CB -0.597 28.809 29.700 -0.489 0.000 0.752 403 E HN 0.549 nan 8.360 nan 0.000 0.466 404 D N 1.329 121.713 120.400 -0.026 0.000 2.117 404 D HA -0.098 4.542 4.640 0.000 0.000 0.197 404 D C 1.956 178.242 176.300 -0.023 0.000 0.987 404 D CA 1.687 55.677 54.000 -0.016 0.000 0.829 404 D CB 0.073 40.878 40.800 0.007 0.000 0.961 404 D HN 0.227 nan 8.370 nan 0.000 0.460 405 K N 0.068 120.467 120.400 -0.002 0.000 2.103 405 K HA -0.013 4.307 4.320 0.000 0.000 0.204 405 K C 2.090 178.672 176.600 -0.031 0.000 1.052 405 K CA 0.547 56.798 56.287 -0.061 0.000 0.945 405 K CB -0.035 32.396 32.500 -0.116 0.000 0.722 405 K HN 0.172 nan 8.250 nan 0.000 0.443 406 L N 0.560 121.817 121.223 0.057 0.000 2.056 406 L HA -0.113 4.227 4.340 0.000 0.000 0.207 406 L C 2.686 179.547 176.870 -0.016 0.000 1.078 406 L CA 0.999 55.872 54.840 0.056 0.000 0.749 406 L CB -0.282 41.783 42.059 0.010 0.000 0.901 406 L HN 0.140 nan 8.230 nan 0.000 0.433 407 R N 0.090 120.563 120.500 -0.044 0.000 2.105 407 R HA -0.175 4.165 4.340 0.000 0.000 0.239 407 R C 2.200 178.478 176.300 -0.038 0.000 1.135 407 R CA 1.376 57.448 56.100 -0.047 0.000 0.967 407 R CB -0.191 30.078 30.300 -0.052 0.000 0.861 407 R HN 0.365 nan 8.270 nan 0.000 0.442 408 A N 0.136 122.930 122.820 -0.044 0.000 2.119 408 A HA -0.017 4.303 4.320 0.000 0.000 0.217 408 A C 1.789 179.345 177.584 -0.047 0.000 1.153 408 A CA 0.728 52.735 52.037 -0.049 0.000 0.692 408 A CB -0.090 18.870 19.000 -0.066 0.000 0.799 408 A HN 0.291 nan 8.150 nan 0.000 0.458 409 L N -1.690 119.510 121.223 -0.039 0.000 2.592 409 L HA 0.253 4.593 4.340 0.000 0.000 0.227 409 L C 1.548 178.408 176.870 -0.016 0.000 1.127 409 L CA 0.597 55.422 54.840 -0.026 0.000 0.884 409 L CB 0.101 42.160 42.059 -0.000 0.000 1.065 409 L HN 0.540 nan 8.230 nan 0.000 0.457 410 G N -0.188 108.599 108.800 -0.021 0.000 2.184 410 G HA2 -0.183 3.777 3.960 0.000 0.000 0.206 410 G HA3 -0.183 3.777 3.960 0.000 0.000 0.206 410 G C 0.330 175.218 174.900 -0.020 0.000 0.995 410 G CA -0.187 44.902 45.100 -0.019 0.000 0.651 410 G HN 0.393 nan 8.290 nan 0.000 0.511 411 A N 0.206 123.011 122.820 -0.025 0.000 2.440 411 A HA 0.579 4.899 4.320 0.000 0.000 0.251 411 A C 0.493 178.052 177.584 -0.042 0.000 1.089 411 A CA 0.187 52.203 52.037 -0.035 0.000 0.779 411 A CB 0.372 19.343 19.000 -0.049 0.000 1.022 411 A HN 0.538 nan 8.150 nan 0.000 0.492 412 N N 2.171 120.849 118.700 -0.036 0.000 2.521 412 N HA 0.357 5.097 4.740 0.000 0.000 0.236 412 N C -1.198 174.285 175.510 -0.044 0.000 1.067 412 N CA -0.002 53.029 53.050 -0.032 0.000 0.939 412 N CB 0.241 38.717 38.487 -0.017 0.000 1.201 412 N HN 0.659 nan 8.380 nan 0.000 0.511 413 I N 1.793 122.323 120.570 -0.067 0.000 2.656 413 I HA 0.403 4.573 4.170 0.000 0.000 0.292 413 I C -1.343 174.729 176.117 -0.076 0.000 1.144 413 I CA -0.613 60.627 61.300 -0.101 0.000 1.038 413 I CB 1.824 39.688 38.000 -0.228 0.000 1.244 413 I HN 0.470 nan 8.210 nan 0.000 0.420 414 E N 7.324 127.517 120.200 -0.012 0.000 2.367 414 E HA 0.427 4.777 4.350 0.000 0.000 0.273 414 E C -1.655 175.051 176.600 0.178 0.000 0.903 414 E CA -1.103 55.326 56.400 0.049 0.000 0.764 414 E CB 2.213 31.940 29.700 0.046 0.000 1.252 414 E HN 0.648 nan 8.360 nan 0.000 0.446 415 R N 1.919 122.547 120.500 0.214 0.000 2.368 415 R HA 0.458 4.798 4.340 0.000 0.000 0.302 415 R C -1.311 175.074 176.300 0.142 0.000 1.002 415 R CA -0.552 55.723 56.100 0.292 0.000 0.929 415 R CB 1.474 31.954 30.300 0.301 0.000 1.073 415 R HN 0.423 nan 8.270 nan 0.000 0.464 416 V N 5.613 125.588 119.914 0.101 0.000 2.378 416 V HA 0.295 4.415 4.120 0.000 0.000 0.288 416 V C 0.071 176.179 176.094 0.022 0.000 1.016 416 V CA -0.879 61.453 62.300 0.053 0.000 0.840 416 V CB 1.344 33.196 31.823 0.048 0.000 0.994 416 V HN 0.752 nan 8.190 nan 0.000 0.431 417 K N 2.098 122.510 120.400 0.020 0.000 2.318 417 K HA 0.529 4.849 4.320 0.000 0.000 0.243 417 K C 1.242 177.841 176.600 -0.001 0.000 1.047 417 K CA 0.617 56.907 56.287 0.005 0.000 0.937 417 K CB 0.803 33.309 32.500 0.009 0.000 1.225 417 K HN 0.899 nan 8.250 nan 0.000 0.506 418 G N 1.158 109.952 108.800 -0.009 0.000 2.582 418 G HA2 -0.369 3.591 3.960 0.000 0.000 0.369 418 G HA3 -0.369 3.591 3.960 0.000 0.000 0.369 418 G C -0.023 174.872 174.900 -0.009 0.000 1.370 418 G CA 1.164 46.257 45.100 -0.012 0.000 0.955 418 G HN 0.782 nan 8.290 nan 0.000 0.525 419 E N 0.000 120.196 120.200 -0.007 0.000 2.725 419 E HA 0.000 4.350 4.350 0.000 0.000 0.291 419 E CA 0.000 56.398 56.400 -0.004 0.000 0.976 419 E CB 0.000 29.698 29.700 -0.003 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440