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 2yyi_1_A DATA FIRST_RESID 2 DATA SEQUENCE ARTGAEYIEA LKTRPPNLWY KGEKVEDPTT HPVFRGIVRT MAALYDLQHD DATA SEQUENCE PRYREVLTYE EEGKRHGMSF LIPKTKEDLK RRGQAYKLWA DQNLGMMGRS DATA SEQUENCE PDYLNAVVMA YAASADYFGE FAENVRNYYR YLRDQDLATT HALTNPQVNR DATA SEQUENCE ARPPSGQPDP YIPVGVVKQT EKGIVVRGAR MTATFPLADE VLIFPXXLLQ DATA SEQUENCE AGSEKYALAF ALPTSTPGLH FVCREALVGG DSPFDHPLSS RVEEMDCLVI DATA SEQUENCE FDDVLVPWER VFILGNVELC NNAYAATGAL NHMAHQVVAL KTAKTEAFLG DATA SEQUENCE VAALMAEGIG ADVYGHVQEK IAEIIVYLEA MRAFWTRAEE EAKENAYGLL DATA SEQUENCE VPDRGALDGA RNLYPRLYPR IREILEQIGA SGLITLPSEK DFKGPLGPFL DATA SEQUENCE EKFLQGAALE AKERVALFRL AWDMTLSGFG ARQELYERFF FGDPVRMYQT DATA SEQUENCE LYNVYNKEPY KERIRAFLKE SLKVFE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.689 177.584 0.175 0.000 1.274 2 A CA 0.000 52.087 52.037 0.083 0.000 0.836 2 A CB 0.000 19.003 19.000 0.005 0.000 0.831 3 R N 0.737 121.299 120.500 0.102 0.000 2.641 3 R HA 0.574 4.899 4.340 -0.026 0.000 0.269 3 R C 0.730 177.125 176.300 0.159 0.000 1.074 3 R CA 0.754 56.826 56.100 -0.047 0.000 1.133 3 R CB 0.770 30.764 30.300 -0.510 0.000 1.029 3 R HN 0.887 nan 8.270 nan 0.000 0.488 4 T N -1.614 112.941 114.554 0.002 0.000 2.936 4 T HA 0.305 4.639 4.350 -0.026 0.000 0.282 4 T C 1.339 176.080 174.700 0.070 0.000 1.003 4 T CA -0.530 61.593 62.100 0.039 0.000 1.005 4 T CB 1.768 70.543 68.868 -0.154 0.000 1.097 4 T HN 0.578 nan 8.240 nan 0.000 0.532 5 G N 0.080 108.983 108.800 0.172 0.000 2.422 5 G HA2 -0.002 3.943 3.960 -0.026 0.000 0.218 5 G HA3 -0.002 3.943 3.960 -0.026 0.000 0.218 5 G C 1.700 176.703 174.900 0.171 0.000 1.146 5 G CA 0.719 45.960 45.100 0.234 0.000 0.769 5 G HN 1.077 nan 8.290 nan 0.000 0.547 6 A N 0.952 123.818 122.820 0.076 0.000 1.933 6 A HA -0.041 4.264 4.320 -0.026 0.000 0.218 6 A C 2.163 179.753 177.584 0.009 0.000 1.175 6 A CA 1.923 53.979 52.037 0.032 0.000 0.628 6 A CB -0.367 18.633 19.000 -0.000 0.000 0.814 6 A HN 0.475 nan 8.150 nan 0.000 0.444 7 E N -1.735 118.459 120.200 -0.009 0.000 2.106 7 E HA -0.194 4.141 4.350 -0.026 0.000 0.192 7 E C 1.870 178.460 176.600 -0.017 0.000 0.984 7 E CA 1.375 57.752 56.400 -0.038 0.000 0.806 7 E CB -0.313 29.342 29.700 -0.075 0.000 0.750 7 E HN 0.819 nan 8.360 nan 0.000 0.458 8 Y N 1.487 121.710 120.300 -0.129 0.000 2.163 8 Y HA -0.173 4.362 4.550 -0.026 0.000 0.288 8 Y C 1.899 177.792 175.900 -0.013 0.000 1.136 8 Y CA 1.291 59.341 58.100 -0.082 0.000 1.147 8 Y CB -0.233 38.232 38.460 0.008 0.000 0.987 8 Y HN -0.079 nan 8.280 nan 0.000 0.509 9 I N 0.247 120.733 120.570 -0.141 0.000 2.226 9 I HA -0.253 3.901 4.170 -0.026 0.000 0.245 9 I C 2.373 178.378 176.117 -0.187 0.000 1.100 9 I CA 1.859 63.021 61.300 -0.230 0.000 1.374 9 I CB -0.394 37.573 38.000 -0.056 0.000 1.057 9 I HN 0.225 nan 8.210 nan 0.000 0.413 10 E N 1.453 121.587 120.200 -0.111 0.000 2.110 10 E HA -0.184 4.150 4.350 -0.026 0.000 0.193 10 E C 2.076 178.614 176.600 -0.104 0.000 0.988 10 E CA 1.601 57.948 56.400 -0.089 0.000 0.804 10 E CB -0.138 29.528 29.700 -0.057 0.000 0.745 10 E HN 0.415 nan 8.360 nan 0.000 0.458 11 A N 0.449 123.198 122.820 -0.118 0.000 1.902 11 A HA -0.102 4.202 4.320 -0.026 0.000 0.217 11 A C 2.296 179.795 177.584 -0.142 0.000 1.181 11 A CA 1.369 53.345 52.037 -0.103 0.000 0.623 11 A CB -0.665 18.292 19.000 -0.070 0.000 0.818 11 A HN 0.344 nan 8.150 nan 0.000 0.443 12 L N -1.026 120.050 121.223 -0.245 0.000 2.156 12 L HA -0.128 4.197 4.340 -0.026 0.000 0.208 12 L C 2.612 179.369 176.870 -0.189 0.000 1.095 12 L CA 1.594 56.278 54.840 -0.260 0.000 0.770 12 L CB -0.392 41.420 42.059 -0.412 0.000 0.914 12 L HN 0.432 nan 8.230 nan 0.000 0.439 13 K N -0.333 119.969 120.400 -0.163 0.000 2.057 13 K HA -0.123 4.182 4.320 -0.026 0.000 0.206 13 K C 2.024 178.570 176.600 -0.089 0.000 1.050 13 K CA 1.631 57.849 56.287 -0.114 0.000 0.935 13 K CB 0.092 32.536 32.500 -0.093 0.000 0.715 13 K HN 0.196 nan 8.250 nan 0.000 0.439 14 T N 0.497 115.002 114.554 -0.082 0.000 2.770 14 T HA -0.014 4.320 4.350 -0.026 0.000 0.263 14 T C 0.668 175.335 174.700 -0.055 0.000 1.039 14 T CA 1.023 63.088 62.100 -0.058 0.000 1.142 14 T CB 0.033 68.873 68.868 -0.047 0.000 0.868 14 T HN 0.147 nan 8.240 nan 0.000 0.435 15 R N 1.765 122.227 120.500 -0.063 0.000 2.651 15 R HA 0.251 4.575 4.340 -0.026 0.000 0.282 15 R C -2.857 173.395 176.300 -0.080 0.000 1.565 15 R CA -1.577 54.492 56.100 -0.052 0.000 1.661 15 R CB 1.340 31.627 30.300 -0.023 0.000 1.189 15 R HN 0.316 nan 8.270 nan 0.000 0.621 16 P HA 0.100 nan 4.420 nan 0.000 0.271 16 P C -2.468 174.748 177.300 -0.140 0.000 1.218 16 P CA -1.171 61.840 63.100 -0.149 0.000 0.780 16 P CB 0.465 32.070 31.700 -0.159 0.000 0.901 17 P HA 0.049 nan 4.420 nan 0.000 0.272 17 P C -0.194 177.048 177.300 -0.096 0.000 1.223 17 P CA -0.085 62.908 63.100 -0.178 0.000 0.784 17 P CB 0.298 31.755 31.700 -0.405 0.000 0.923 18 N N 1.890 120.650 118.700 0.101 0.000 3.103 18 N HA 0.123 4.847 4.740 -0.026 0.000 0.305 18 N C 0.022 175.699 175.510 0.278 0.000 1.232 18 N CA 0.285 53.423 53.050 0.148 0.000 1.190 18 N CB -0.835 37.748 38.487 0.160 0.000 1.461 18 N HN 0.359 nan 8.380 nan 0.000 0.538 19 L N 0.129 121.363 121.223 0.018 0.000 2.375 19 L HA 0.428 4.752 4.340 -0.026 0.000 0.271 19 L C -0.186 176.685 176.870 0.002 0.000 1.107 19 L CA -0.580 54.283 54.840 0.037 0.000 0.806 19 L CB 0.697 42.565 42.059 -0.319 0.000 1.146 19 L HN 0.185 nan 8.230 nan 0.000 0.447 20 W N 2.045 123.414 121.300 0.115 0.000 2.785 20 W HA 0.435 5.079 4.660 -0.026 0.000 0.333 20 W C -0.941 175.713 176.519 0.226 0.000 1.062 20 W CA -0.390 57.033 57.345 0.131 0.000 1.233 20 W CB 1.322 30.832 29.460 0.084 0.000 1.413 20 W HN 0.150 nan 8.180 nan 0.000 0.489 21 Y N 3.394 123.874 120.300 0.299 0.000 2.346 21 Y HA 0.305 4.839 4.550 -0.026 0.000 0.332 21 Y C 0.257 176.288 175.900 0.218 0.000 0.985 21 Y CA -1.877 56.370 58.100 0.244 0.000 1.112 21 Y CB 1.239 39.824 38.460 0.209 0.000 1.170 21 Y HN 0.567 nan 8.280 nan 0.000 0.447 22 K N 4.818 124.982 120.400 -0.392 0.000 3.451 22 K HA -0.237 4.068 4.320 -0.026 0.000 0.273 22 K C 0.887 177.489 176.600 0.003 0.000 0.944 22 K CA 1.072 57.203 56.287 -0.261 0.000 0.734 22 K CB -1.566 30.712 32.500 -0.369 0.000 1.437 22 K HN 1.336 nan 8.250 nan 0.000 0.454 23 G N -0.237 108.627 108.800 0.107 0.000 2.184 23 G HA2 -0.327 3.618 3.960 -0.026 0.000 0.264 23 G HA3 -0.327 3.618 3.960 -0.026 0.000 0.264 23 G C -0.183 174.943 174.900 0.376 0.000 0.975 23 G CA 0.886 46.107 45.100 0.201 0.000 0.642 23 G HN 0.534 nan 8.290 nan 0.000 0.536 24 E N -0.166 120.243 120.200 0.348 0.000 2.288 24 E HA 0.469 4.804 4.350 -0.026 0.000 0.268 24 E C -0.244 176.322 176.600 -0.056 0.000 0.885 24 E CA -0.978 55.531 56.400 0.180 0.000 0.767 24 E CB 1.593 31.372 29.700 0.132 0.000 1.220 24 E HN 0.212 nan 8.360 nan 0.000 0.427 25 K N 1.007 121.104 120.400 -0.505 0.000 2.326 25 K HA 0.197 4.502 4.320 -0.026 0.000 0.275 25 K C -0.538 175.889 176.600 -0.288 0.000 1.018 25 K CA -0.271 55.562 56.287 -0.756 0.000 0.962 25 K CB 0.881 32.886 32.500 -0.824 0.000 0.953 25 K HN 0.173 nan 8.250 nan 0.000 0.475 26 V N 4.276 124.039 119.914 -0.252 0.000 2.353 26 V HA 0.015 4.119 4.120 -0.026 0.000 0.264 26 V C 1.049 177.055 176.094 -0.145 0.000 1.049 26 V CA 0.024 62.250 62.300 -0.124 0.000 0.896 26 V CB 0.610 32.280 31.823 -0.255 0.000 1.025 26 V HN 0.806 nan 8.190 nan 0.000 0.475 27 E N 2.397 122.557 120.200 -0.067 0.000 2.152 27 E HA -0.065 4.270 4.350 -0.026 0.000 0.192 27 E C 0.262 176.820 176.600 -0.069 0.000 0.983 27 E CA 0.760 57.115 56.400 -0.076 0.000 0.818 27 E CB 0.332 30.005 29.700 -0.046 0.000 0.758 27 E HN 0.672 nan 8.360 nan 0.000 0.467 28 D N -0.709 119.672 120.400 -0.032 0.000 2.323 28 D HA 0.074 4.698 4.640 -0.026 0.000 0.242 28 D C -2.096 174.202 176.300 -0.003 0.000 1.347 28 D CA -2.022 51.955 54.000 -0.039 0.000 0.988 28 D CB 1.345 42.134 40.800 -0.018 0.000 1.314 28 D HN -0.200 nan 8.370 nan 0.000 0.564 29 P HA -0.107 nan 4.420 nan 0.000 0.226 29 P C 1.177 178.498 177.300 0.036 0.000 1.153 29 P CA 0.872 63.927 63.100 -0.075 0.000 0.777 29 P CB 0.037 31.526 31.700 -0.352 0.000 0.794 30 T N -3.175 111.364 114.554 -0.024 0.000 3.035 30 T HA -0.042 4.292 4.350 -0.026 0.000 0.268 30 T C 1.519 176.238 174.700 0.032 0.000 1.109 30 T CA 1.742 63.835 62.100 -0.011 0.000 1.119 30 T CB -1.193 67.638 68.868 -0.063 0.000 0.900 30 T HN 0.255 nan 8.240 nan 0.000 0.503 31 T N -2.734 111.852 114.554 0.053 0.000 2.975 31 T HA 0.196 4.530 4.350 -0.026 0.000 0.261 31 T C 0.564 175.309 174.700 0.075 0.000 0.984 31 T CA -0.512 61.615 62.100 0.046 0.000 0.911 31 T CB -0.420 68.457 68.868 0.015 0.000 1.127 31 T HN 0.482 nan 8.240 nan 0.000 0.514 32 H N 4.200 123.298 119.070 0.047 0.000 2.964 32 H HA 0.153 4.694 4.556 -0.026 0.000 0.328 32 H C -1.456 173.873 175.328 0.003 0.000 1.030 32 H CA -1.385 54.702 56.048 0.065 0.000 1.445 32 H CB 1.691 31.574 29.762 0.202 0.000 1.449 32 H HN 0.038 nan 8.280 nan 0.000 0.581 33 P HA -0.167 nan 4.420 nan 0.000 0.218 33 P C 1.401 178.660 177.300 -0.068 0.000 1.146 33 P CA 0.821 63.879 63.100 -0.070 0.000 0.813 33 P CB 0.397 32.004 31.700 -0.156 0.000 0.778 34 V N -2.025 117.868 119.914 -0.035 0.000 2.788 34 V HA -0.063 4.042 4.120 -0.026 0.000 0.251 34 V C 1.948 177.595 176.094 -0.745 0.000 1.068 34 V CA 1.472 63.415 62.300 -0.595 0.000 1.090 34 V CB -1.048 29.999 31.823 -1.294 0.000 0.710 34 V HN -0.047 nan 8.190 nan 0.000 0.467 35 F N 0.027 119.953 119.950 -0.040 0.000 2.727 35 F HA 0.206 4.718 4.527 -0.026 0.000 0.302 35 F C 2.290 178.083 175.800 -0.012 0.000 1.107 35 F CA -0.087 57.877 58.000 -0.059 0.000 1.277 35 F CB -0.359 38.566 39.000 -0.124 0.000 1.079 35 F HN 0.013 nan 8.300 nan 0.000 0.594 36 R N 0.813 121.401 120.500 0.148 0.000 2.127 36 R HA -0.052 4.273 4.340 -0.026 0.000 0.238 36 R C 2.167 178.507 176.300 0.067 0.000 1.134 36 R CA 1.594 57.751 56.100 0.096 0.000 0.975 36 R CB -1.392 28.945 30.300 0.061 0.000 0.865 36 R HN 0.292 nan 8.270 nan 0.000 0.447 37 G N 1.838 110.658 108.800 0.034 0.000 2.414 37 G HA2 -0.255 3.689 3.960 -0.026 0.000 0.215 37 G HA3 -0.255 3.689 3.960 -0.026 0.000 0.215 37 G C 1.348 176.268 174.900 0.034 0.000 1.188 37 G CA 0.700 45.806 45.100 0.009 0.000 0.783 37 G HN 0.295 nan 8.290 nan 0.000 0.537 38 I N 0.658 121.270 120.570 0.070 0.000 2.493 38 I HA -0.056 4.098 4.170 -0.026 0.000 0.254 38 I C 2.660 178.902 176.117 0.208 0.000 1.160 38 I CA 0.675 62.049 61.300 0.122 0.000 1.445 38 I CB 0.004 38.127 38.000 0.204 0.000 1.086 38 I HN 0.035 nan 8.210 nan 0.000 0.433 39 V N 0.897 120.944 119.914 0.221 0.000 2.358 39 V HA -0.240 3.864 4.120 -0.026 0.000 0.246 39 V C 2.617 178.875 176.094 0.273 0.000 1.047 39 V CA 1.908 64.385 62.300 0.295 0.000 1.035 39 V CB -0.781 31.131 31.823 0.148 0.000 0.658 39 V HN 0.383 nan 8.190 nan 0.000 0.452 40 R N -0.459 120.128 120.500 0.144 0.000 2.115 40 R HA -0.119 4.206 4.340 -0.026 0.000 0.230 40 R C 2.368 178.700 176.300 0.053 0.000 1.111 40 R CA 1.778 57.937 56.100 0.099 0.000 0.976 40 R CB -0.646 29.685 30.300 0.052 0.000 0.870 40 R HN 0.477 nan 8.270 nan 0.000 0.445 41 T N 1.200 115.762 114.554 0.013 0.000 2.777 41 T HA -0.151 4.184 4.350 -0.026 0.000 0.266 41 T C 1.679 176.271 174.700 -0.180 0.000 1.040 41 T CA 1.348 63.395 62.100 -0.088 0.000 1.141 41 T CB -0.115 68.684 68.868 -0.115 0.000 0.868 41 T HN 0.090 nan 8.240 nan 0.000 0.444 42 M N 1.755 121.275 119.600 -0.133 0.000 2.175 42 M HA 0.158 4.622 4.480 -0.026 0.000 0.264 42 M C 2.276 178.386 176.300 -0.317 0.000 1.063 42 M CA 1.266 56.350 55.300 -0.359 0.000 1.119 42 M CB -0.753 31.708 32.600 -0.232 0.000 1.377 42 M HN 0.190 nan 8.290 nan 0.000 0.415 43 A N -0.251 122.597 122.820 0.046 0.000 1.933 43 A HA 0.023 4.328 4.320 -0.026 0.000 0.218 43 A C 2.352 179.992 177.584 0.093 0.000 1.175 43 A CA 1.981 54.153 52.037 0.225 0.000 0.628 43 A CB -1.375 17.807 19.000 0.304 0.000 0.814 43 A HN 0.636 nan 8.150 nan 0.000 0.444 44 A N -0.417 122.392 122.820 -0.018 0.000 1.969 44 A HA 0.039 4.344 4.320 -0.026 0.000 0.218 44 A C 2.127 179.636 177.584 -0.125 0.000 1.169 44 A CA 1.296 53.308 52.037 -0.042 0.000 0.635 44 A CB -0.491 18.467 19.000 -0.070 0.000 0.810 44 A HN 0.475 nan 8.150 nan 0.000 0.445 45 L N -2.102 118.901 121.223 -0.367 0.000 2.056 45 L HA -0.188 4.137 4.340 -0.026 0.000 0.207 45 L C 2.542 179.278 176.870 -0.224 0.000 1.078 45 L CA 1.314 55.733 54.840 -0.701 0.000 0.749 45 L CB -0.635 40.473 42.059 -1.584 0.000 0.901 45 L HN 0.419 nan 8.230 nan 0.000 0.433 46 Y N 0.331 120.574 120.300 -0.095 0.000 2.200 46 Y HA -0.240 4.295 4.550 -0.025 0.000 0.290 46 Y C 2.499 178.540 175.900 0.235 0.000 1.137 46 Y CA 1.072 59.259 58.100 0.145 0.000 1.163 46 Y CB -0.515 37.998 38.460 0.089 0.000 0.988 46 Y HN 0.207 nan 8.280 nan 0.000 0.518 47 D N -0.374 120.230 120.400 0.341 0.000 2.178 47 D HA -0.152 4.472 4.640 -0.026 0.000 0.201 47 D C 2.167 178.651 176.300 0.307 0.000 0.980 47 D CA 0.788 54.983 54.000 0.326 0.000 0.842 47 D CB -0.384 40.532 40.800 0.193 0.000 0.948 47 D HN 0.221 nan 8.370 nan 0.000 0.472 48 L N 1.091 122.460 121.223 0.244 0.000 2.191 48 L HA -0.164 4.160 4.340 -0.026 0.000 0.212 48 L C 2.059 179.083 176.870 0.256 0.000 1.103 48 L CA 1.435 56.429 54.840 0.257 0.000 0.769 48 L CB -0.369 41.813 42.059 0.205 0.000 0.908 48 L HN 0.021 nan 8.230 nan 0.000 0.438 49 Q N -1.585 118.329 119.800 0.191 0.000 2.364 49 Q HA -0.145 4.180 4.340 -0.026 0.000 0.207 49 Q C 1.054 176.889 176.000 -0.275 0.000 0.970 49 Q CA 1.049 56.823 55.803 -0.048 0.000 0.888 49 Q CB -0.070 28.578 28.738 -0.150 0.000 0.951 49 Q HN 0.687 nan 8.270 nan 0.000 0.469 50 H N -0.588 118.572 119.070 0.150 0.000 2.652 50 H HA 0.114 4.655 4.556 -0.026 0.000 0.274 50 H C -0.013 175.367 175.328 0.087 0.000 1.021 50 H CA -0.107 55.999 56.048 0.097 0.000 1.187 50 H CB 0.554 30.364 29.762 0.080 0.000 1.505 50 H HN 0.155 nan 8.280 nan 0.000 0.530 51 D N 3.347 123.860 120.400 0.190 0.000 2.383 51 D HA -0.001 4.624 4.640 -0.026 0.000 0.252 51 D C -1.303 175.016 176.300 0.032 0.000 1.166 51 D CA -1.716 52.364 54.000 0.133 0.000 0.879 51 D CB 2.154 43.093 40.800 0.232 0.000 1.164 51 D HN 0.091 nan 8.370 nan 0.000 0.462 52 P HA -0.167 nan 4.420 nan 0.000 0.217 52 P C 1.067 178.282 177.300 -0.141 0.000 1.148 52 P CA 1.007 64.076 63.100 -0.052 0.000 0.828 52 P CB 0.333 32.007 31.700 -0.043 0.000 0.783 53 R N -1.484 118.829 120.500 -0.312 0.000 2.148 53 R HA -0.090 4.234 4.340 -0.026 0.000 0.227 53 R C 1.528 177.460 176.300 -0.614 0.000 1.103 53 R CA 1.287 57.036 56.100 -0.584 0.000 0.983 53 R CB -0.400 29.279 30.300 -1.034 0.000 0.874 53 R HN 0.350 nan 8.270 nan 0.000 0.451 54 Y N -1.575 118.744 120.300 0.031 0.000 2.527 54 Y HA 0.282 4.817 4.550 -0.025 0.000 0.247 54 Y C 1.763 177.666 175.900 0.005 0.000 1.138 54 Y CA -0.893 57.222 58.100 0.026 0.000 1.228 54 Y CB -0.033 38.457 38.460 0.049 0.000 1.252 54 Y HN -0.162 nan 8.280 nan 0.000 0.531 55 R N 1.155 121.708 120.500 0.089 0.000 2.103 55 R HA -0.170 4.154 4.340 -0.026 0.000 0.242 55 R C 1.429 177.745 176.300 0.026 0.000 1.142 55 R CA 1.887 58.008 56.100 0.034 0.000 0.960 55 R CB 0.126 30.432 30.300 0.009 0.000 0.858 55 R HN 0.172 nan 8.270 nan 0.000 0.439 56 E N -0.282 119.938 120.200 0.034 0.000 2.274 56 E HA -0.085 4.250 4.350 -0.026 0.000 0.194 56 E C 1.873 178.498 176.600 0.041 0.000 0.996 56 E CA 0.732 57.152 56.400 0.034 0.000 0.840 56 E CB 0.236 29.952 29.700 0.027 0.000 0.772 56 E HN 0.246 nan 8.360 nan 0.000 0.491 57 V N 0.565 120.512 119.914 0.056 0.000 2.500 57 V HA -0.067 4.038 4.120 -0.026 0.000 0.243 57 V C 2.175 178.255 176.094 -0.023 0.000 1.039 57 V CA 0.823 63.145 62.300 0.037 0.000 1.053 57 V CB -0.141 31.733 31.823 0.085 0.000 0.695 57 V HN 0.167 nan 8.190 nan 0.000 0.463 58 L N 0.278 121.485 121.223 -0.026 0.000 2.509 58 L HA 0.161 4.486 4.340 -0.026 0.000 0.222 58 L C 0.980 177.789 176.870 -0.102 0.000 1.123 58 L CA 0.747 55.510 54.840 -0.129 0.000 0.856 58 L CB -0.190 41.805 42.059 -0.106 0.000 0.985 58 L HN 0.555 nan 8.230 nan 0.000 0.456 59 T N -2.909 111.629 114.554 -0.027 0.000 2.841 59 T HA 0.531 4.866 4.350 -0.026 0.000 0.296 59 T C -1.040 173.712 174.700 0.087 0.000 1.166 59 T CA -0.655 61.435 62.100 -0.017 0.000 1.007 59 T CB 2.140 70.945 68.868 -0.103 0.000 1.253 59 T HN 0.076 nan 8.240 nan 0.000 0.511 60 Y N -1.172 119.131 120.300 0.004 0.000 2.553 60 Y HA 0.822 5.357 4.550 -0.026 0.000 0.347 60 Y C -0.568 175.327 175.900 -0.008 0.000 1.019 60 Y CA -1.293 56.813 58.100 0.011 0.000 1.032 60 Y CB 1.494 39.978 38.460 0.039 0.000 1.284 60 Y HN 0.786 nan 8.280 nan 0.000 0.466 61 E N 2.238 122.508 120.200 0.117 0.000 2.231 61 E HA 0.301 4.636 4.350 -0.026 0.000 0.277 61 E C -1.549 175.123 176.600 0.119 0.000 0.999 61 E CA -0.455 55.948 56.400 0.005 0.000 0.827 61 E CB 1.699 31.405 29.700 0.010 0.000 1.101 61 E HN 0.929 nan 8.360 nan 0.000 0.393 62 E N 3.867 124.083 120.200 0.026 0.000 2.334 62 E HA 0.107 4.441 4.350 -0.026 0.000 0.280 62 E C -1.193 175.438 176.600 0.053 0.000 0.899 62 E CA -0.182 56.294 56.400 0.125 0.000 0.813 62 E CB 0.452 30.343 29.700 0.319 0.000 1.318 62 E HN 0.607 nan 8.360 nan 0.000 0.399 63 E N 2.668 122.900 120.200 0.053 0.000 2.210 63 E HA -0.315 4.020 4.350 -0.026 0.000 0.201 63 E C 0.627 177.228 176.600 0.002 0.000 1.339 63 E CA 0.709 57.130 56.400 0.035 0.000 0.699 63 E CB -1.411 28.322 29.700 0.055 0.000 1.126 63 E HN 1.077 nan 8.360 nan 0.000 0.355 64 G N -0.662 108.126 108.800 -0.019 0.000 2.205 64 G HA2 -0.336 3.609 3.960 -0.026 0.000 0.261 64 G HA3 -0.336 3.609 3.960 -0.026 0.000 0.261 64 G C 0.270 175.118 174.900 -0.087 0.000 0.980 64 G CA 0.867 45.944 45.100 -0.039 0.000 0.632 64 G HN 0.190 nan 8.290 nan 0.000 0.533 65 K N -0.350 119.959 120.400 -0.152 0.000 2.166 65 K HA 0.761 5.066 4.320 -0.026 0.000 0.245 65 K C -0.196 176.120 176.600 -0.472 0.000 0.967 65 K CA -1.125 54.977 56.287 -0.309 0.000 0.863 65 K CB 1.749 34.015 32.500 -0.390 0.000 1.107 65 K HN 0.174 nan 8.250 nan 0.000 0.436 66 R N 1.384 121.568 120.500 -0.526 0.000 2.439 66 R HA 0.294 4.618 4.340 -0.026 0.000 0.310 66 R C -0.990 174.947 176.300 -0.604 0.000 0.955 66 R CA -0.244 55.570 56.100 -0.477 0.000 0.853 66 R CB 0.405 30.573 30.300 -0.220 0.000 1.171 66 R HN 0.569 nan 8.270 nan 0.000 0.449 67 H N 1.246 120.001 119.070 -0.525 0.000 2.621 67 H HA 0.423 4.963 4.556 -0.026 0.000 0.360 67 H C 0.113 175.225 175.328 -0.361 0.000 1.163 67 H CA -0.857 54.878 56.048 -0.520 0.000 1.194 67 H CB 1.816 31.120 29.762 -0.763 0.000 1.649 67 H HN 0.831 nan 8.280 nan 0.000 0.532 68 G N 0.720 109.606 108.800 0.144 0.000 2.398 68 G HA2 0.085 4.029 3.960 -0.026 0.000 0.246 68 G HA3 0.085 4.029 3.960 -0.026 0.000 0.246 68 G C 1.087 176.113 174.900 0.210 0.000 1.289 68 G CA -0.328 44.861 45.100 0.149 0.000 0.869 68 G HN 0.596 nan 8.290 nan 0.000 0.543 69 M N 2.831 122.467 119.600 0.060 0.000 2.195 69 M HA -0.156 4.308 4.480 -0.026 0.000 0.260 69 M C 2.610 178.891 176.300 -0.032 0.000 1.066 69 M CA 2.095 57.458 55.300 0.105 0.000 1.089 69 M CB -0.333 32.205 32.600 -0.103 0.000 1.377 69 M HN 0.632 nan 8.290 nan 0.000 0.411 70 S N -1.203 114.363 115.700 -0.225 0.000 2.547 70 S HA -0.065 4.390 4.470 -0.026 0.000 0.235 70 S C 1.348 175.777 174.600 -0.286 0.000 0.980 70 S CA 0.536 58.553 58.200 -0.305 0.000 0.941 70 S CB -1.006 61.961 63.200 -0.388 0.000 0.763 70 S HN 0.495 nan 8.310 nan 0.000 0.532 71 F N 0.644 120.672 119.950 0.130 0.000 2.746 71 F HA 0.466 4.979 4.527 -0.025 0.000 0.297 71 F C 0.695 176.661 175.800 0.276 0.000 1.113 71 F CA -1.049 57.085 58.000 0.223 0.000 1.367 71 F CB -0.109 38.954 39.000 0.106 0.000 1.111 71 F HN 0.183 nan 8.300 nan 0.000 0.590 72 L N 1.888 123.276 121.223 0.274 0.000 2.534 72 L HA 0.101 4.426 4.340 -0.026 0.000 0.271 72 L C -0.022 176.799 176.870 -0.081 0.000 1.178 72 L CA 0.334 55.107 54.840 -0.111 0.000 0.907 72 L CB -0.179 41.637 42.059 -0.405 0.000 1.164 72 L HN -0.003 nan 8.230 nan 0.000 0.482 73 I N 8.837 129.363 120.570 -0.073 0.000 2.347 73 I HA 0.203 4.357 4.170 -0.026 0.000 0.294 73 I C -1.758 174.304 176.117 -0.091 0.000 1.090 73 I CA -1.684 59.559 61.300 -0.095 0.000 1.314 73 I CB 0.422 38.371 38.000 -0.086 0.000 1.423 73 I HN 0.565 nan 8.210 nan 0.000 0.503 74 P HA 0.107 nan 4.420 nan 0.000 0.271 74 P C -0.410 176.895 177.300 0.007 0.000 1.220 74 P CA -0.302 62.787 63.100 -0.018 0.000 0.768 74 P CB 1.426 33.159 31.700 0.056 0.000 0.848 75 K N 0.917 121.316 120.400 -0.001 0.000 2.370 75 K HA 0.145 4.450 4.320 -0.026 0.000 0.194 75 K C 1.098 177.709 176.600 0.018 0.000 1.070 75 K CA 0.746 57.039 56.287 0.010 0.000 0.998 75 K CB 0.254 32.754 32.500 -0.000 0.000 0.911 75 K HN 0.624 nan 8.250 nan 0.000 0.533 76 T N -2.550 112.014 114.554 0.017 0.000 2.887 76 T HA 0.408 4.743 4.350 -0.026 0.000 0.292 76 T C 0.817 175.536 174.700 0.031 0.000 1.087 76 T CA -0.814 61.298 62.100 0.020 0.000 1.009 76 T CB 2.297 71.172 68.868 0.012 0.000 1.203 76 T HN -0.207 nan 8.240 nan 0.000 0.518 77 K N -0.067 120.351 120.400 0.029 0.000 2.211 77 K HA -0.092 4.212 4.320 -0.026 0.000 0.203 77 K C 1.984 178.610 176.600 0.042 0.000 1.050 77 K CA 1.274 57.583 56.287 0.036 0.000 0.945 77 K CB -0.106 32.409 32.500 0.025 0.000 0.732 77 K HN 0.665 nan 8.250 nan 0.000 0.451 78 E N 1.729 121.946 120.200 0.028 0.000 2.110 78 E HA -0.189 4.146 4.350 -0.026 0.000 0.193 78 E C 1.259 177.874 176.600 0.026 0.000 0.988 78 E CA 1.554 57.968 56.400 0.023 0.000 0.804 78 E CB -0.094 29.613 29.700 0.012 0.000 0.745 78 E HN 0.153 nan 8.360 nan 0.000 0.458 79 D N -0.142 120.270 120.400 0.019 0.000 2.144 79 D HA -0.122 4.503 4.640 -0.026 0.000 0.199 79 D C 2.021 178.347 176.300 0.043 0.000 0.984 79 D CA 0.728 54.730 54.000 0.003 0.000 0.834 79 D CB -0.166 40.624 40.800 -0.017 0.000 0.955 79 D HN 0.264 nan 8.370 nan 0.000 0.465 80 L N 0.571 121.852 121.223 0.097 0.000 2.046 80 L HA -0.163 4.162 4.340 -0.026 0.000 0.208 80 L C 2.488 179.511 176.870 0.254 0.000 1.077 80 L CA 1.092 56.054 54.840 0.203 0.000 0.747 80 L CB -0.307 41.854 42.059 0.169 0.000 0.896 80 L HN 0.003 nan 8.230 nan 0.000 0.432 81 K N 0.413 120.912 120.400 0.165 0.000 2.057 81 K HA -0.201 4.104 4.320 -0.026 0.000 0.207 81 K C 2.260 178.920 176.600 0.100 0.000 1.049 81 K CA 1.333 57.713 56.287 0.156 0.000 0.931 81 K CB 0.037 32.581 32.500 0.073 0.000 0.714 81 K HN 0.187 nan 8.250 nan 0.000 0.440 82 R N 0.115 120.636 120.500 0.037 0.000 2.081 82 R HA -0.090 4.235 4.340 -0.026 0.000 0.235 82 R C 2.511 178.745 176.300 -0.109 0.000 1.131 82 R CA 1.721 57.808 56.100 -0.021 0.000 0.960 82 R CB -0.208 30.073 30.300 -0.032 0.000 0.856 82 R HN 0.194 nan 8.270 nan 0.000 0.436 83 R N -0.319 120.088 120.500 -0.154 0.000 2.081 83 R HA -0.080 4.244 4.340 -0.026 0.000 0.235 83 R C 2.444 178.284 176.300 -0.766 0.000 1.131 83 R CA 1.367 57.189 56.100 -0.463 0.000 0.960 83 R CB -0.527 29.561 30.300 -0.355 0.000 0.856 83 R HN 0.351 nan 8.270 nan 0.000 0.436 84 G N 0.699 109.330 108.800 -0.283 0.000 2.422 84 G HA2 -0.253 3.691 3.960 -0.026 0.000 0.218 84 G HA3 -0.253 3.691 3.960 -0.026 0.000 0.218 84 G C 1.323 176.326 174.900 0.172 0.000 1.146 84 G CA 0.307 45.407 45.100 -0.001 0.000 0.769 84 G HN 0.192 nan 8.290 nan 0.000 0.547 85 Q N 0.427 120.296 119.800 0.115 0.000 2.167 85 Q HA 0.048 4.373 4.340 -0.026 0.000 0.202 85 Q C 2.886 178.890 176.000 0.008 0.000 0.970 85 Q CA 1.281 57.155 55.803 0.118 0.000 0.855 85 Q CB -0.540 28.237 28.738 0.064 0.000 0.911 85 Q HN 0.475 nan 8.270 nan 0.000 0.438 86 A N -0.138 122.588 122.820 -0.157 0.000 1.897 86 A HA -0.154 4.151 4.320 -0.026 0.000 0.215 86 A C 1.774 179.241 177.584 -0.196 0.000 1.181 86 A CA 0.921 52.803 52.037 -0.259 0.000 0.620 86 A CB -0.676 18.077 19.000 -0.412 0.000 0.821 86 A HN 0.263 nan 8.150 nan 0.000 0.443 87 Y N 0.264 120.456 120.300 -0.180 0.000 2.128 87 Y HA -0.199 4.336 4.550 -0.025 0.000 0.284 87 Y C 2.390 178.237 175.900 -0.088 0.000 1.154 87 Y CA 1.690 59.685 58.100 -0.174 0.000 1.149 87 Y CB -0.699 37.596 38.460 -0.274 0.000 0.976 87 Y HN 0.287 nan 8.280 nan 0.000 0.505 88 K N 0.513 120.993 120.400 0.133 0.000 2.057 88 K HA -0.139 4.165 4.320 -0.026 0.000 0.207 88 K C 2.014 178.681 176.600 0.111 0.000 1.049 88 K CA 1.029 57.398 56.287 0.136 0.000 0.931 88 K CB -0.858 31.844 32.500 0.338 0.000 0.714 88 K HN 0.239 nan 8.250 nan 0.000 0.440 89 L N -0.427 120.848 121.223 0.086 0.000 2.046 89 L HA -0.095 4.229 4.340 -0.026 0.000 0.208 89 L C 1.818 178.754 176.870 0.110 0.000 1.077 89 L CA 1.749 56.612 54.840 0.039 0.000 0.747 89 L CB -0.722 41.320 42.059 -0.027 0.000 0.896 89 L HN 0.306 nan 8.230 nan 0.000 0.432 90 W N -0.061 121.175 121.300 -0.107 0.000 2.355 90 W HA -0.078 4.566 4.660 -0.027 0.000 0.309 90 W C 2.675 179.113 176.519 -0.134 0.000 1.206 90 W CA 1.809 59.072 57.345 -0.136 0.000 1.284 90 W CB -1.202 28.179 29.460 -0.132 0.000 1.145 90 W HN 0.320 nan 8.180 nan 0.000 0.502 91 A N 0.052 122.942 122.820 0.118 0.000 1.908 91 A HA -0.231 4.074 4.320 -0.026 0.000 0.218 91 A C 1.780 179.354 177.584 -0.017 0.000 1.181 91 A CA 2.187 54.225 52.037 0.001 0.000 0.627 91 A CB -0.926 18.061 19.000 -0.023 0.000 0.818 91 A HN 0.170 nan 8.150 nan 0.000 0.445 92 D N -0.304 120.101 120.400 0.009 0.000 2.221 92 D HA -0.135 4.490 4.640 -0.026 0.000 0.204 92 D C 2.004 178.282 176.300 -0.036 0.000 0.982 92 D CA 1.060 55.059 54.000 -0.001 0.000 0.857 92 D CB -0.262 40.546 40.800 0.014 0.000 0.934 92 D HN 0.408 nan 8.370 nan 0.000 0.475 93 Q N 0.268 120.029 119.800 -0.066 0.000 2.181 93 Q HA -0.057 4.267 4.340 -0.026 0.000 0.205 93 Q C 0.795 176.734 176.000 -0.103 0.000 0.980 93 Q CA 0.838 56.581 55.803 -0.100 0.000 0.862 93 Q CB -0.150 28.494 28.738 -0.156 0.000 0.905 93 Q HN 0.382 nan 8.270 nan 0.000 0.429 94 N N -0.245 118.392 118.700 -0.105 0.000 2.351 94 N HA 0.187 4.912 4.740 -0.026 0.000 0.254 94 N C -0.090 175.384 175.510 -0.060 0.000 1.241 94 N CA -0.090 52.900 53.050 -0.100 0.000 0.883 94 N CB 1.053 39.455 38.487 -0.143 0.000 1.202 94 N HN 0.129 nan 8.380 nan 0.000 0.512 95 L N -0.151 121.048 121.223 -0.041 0.000 3.839 95 L HA -0.300 4.025 4.340 -0.026 0.000 0.416 95 L C 0.997 177.879 176.870 0.019 0.000 1.195 95 L CA 0.639 55.472 54.840 -0.012 0.000 0.946 95 L CB -2.232 39.807 42.059 -0.033 0.000 1.891 95 L HN 0.425 nan 8.230 nan 0.000 0.963 96 G N -1.571 107.223 108.800 -0.010 0.000 2.168 96 G HA2 -0.353 3.591 3.960 -0.026 0.000 0.257 96 G HA3 -0.353 3.591 3.960 -0.026 0.000 0.257 96 G C 0.747 175.629 174.900 -0.029 0.000 0.997 96 G CA 0.590 45.679 45.100 -0.018 0.000 0.708 96 G HN 0.335 nan 8.290 nan 0.000 0.520 97 M N -0.833 118.751 119.600 -0.026 0.000 2.514 97 M HA 0.344 4.808 4.480 -0.026 0.000 0.258 97 M C 1.538 177.762 176.300 -0.127 0.000 1.119 97 M CA 0.486 55.778 55.300 -0.013 0.000 1.111 97 M CB -0.110 32.572 32.600 0.136 0.000 1.390 97 M HN 0.475 nan 8.290 nan 0.000 0.475 98 M N 0.538 120.027 119.600 -0.185 0.000 2.094 98 M HA 0.304 4.769 4.480 -0.026 0.000 0.348 98 M C 0.954 177.034 176.300 -0.368 0.000 1.267 98 M CA -0.198 54.928 55.300 -0.290 0.000 1.125 98 M CB 0.821 33.224 32.600 -0.329 0.000 1.527 98 M HN 0.179 nan 8.290 nan 0.000 0.447 99 G N 3.950 112.453 108.800 -0.495 0.000 2.683 99 G HA2 0.024 3.968 3.960 -0.026 0.000 0.213 99 G HA3 0.024 3.968 3.960 -0.026 0.000 0.213 99 G C 0.767 175.379 174.900 -0.480 0.000 1.142 99 G CA 0.069 44.846 45.100 -0.538 0.000 0.793 99 G HN 0.518 nan 8.290 nan 0.000 0.534 100 R N 1.191 121.444 120.500 -0.411 0.000 2.748 100 R HA 0.231 4.556 4.340 -0.026 0.000 0.395 100 R C 0.429 176.539 176.300 -0.316 0.000 1.128 100 R CA -0.680 55.245 56.100 -0.291 0.000 1.042 100 R CB -0.207 30.054 30.300 -0.065 0.000 1.392 100 R HN 0.324 nan 8.270 nan 0.000 0.582 101 S N 0.611 116.081 115.700 -0.382 0.000 2.568 101 S HA 0.126 4.581 4.470 -0.026 0.000 0.282 101 S C -1.157 173.379 174.600 -0.107 0.000 1.338 101 S CA -0.814 57.146 58.200 -0.399 0.000 1.045 101 S CB 1.006 64.019 63.200 -0.311 0.000 0.873 101 S HN 0.089 nan 8.310 nan 0.000 0.516 102 P HA -0.206 nan 4.420 nan 0.000 0.219 102 P C 0.828 178.180 177.300 0.086 0.000 1.144 102 P CA 1.538 64.704 63.100 0.110 0.000 0.806 102 P CB -0.194 31.600 31.700 0.156 0.000 0.771 103 D N -1.019 119.464 120.400 0.138 0.000 2.263 103 D HA -0.233 4.392 4.640 -0.026 0.000 0.208 103 D C 2.020 178.329 176.300 0.014 0.000 0.971 103 D CA 0.788 54.797 54.000 0.015 0.000 0.867 103 D CB -1.417 39.397 40.800 0.024 0.000 0.929 103 D HN 0.240 nan 8.370 nan 0.000 0.492 104 Y N 1.316 121.535 120.300 -0.135 0.000 2.163 104 Y HA -0.043 4.491 4.550 -0.026 0.000 0.288 104 Y C 2.167 177.973 175.900 -0.156 0.000 1.136 104 Y CA 1.381 59.358 58.100 -0.205 0.000 1.147 104 Y CB -0.277 38.039 38.460 -0.240 0.000 0.987 104 Y HN -0.100 nan 8.280 nan 0.000 0.509 105 L N 0.186 121.369 121.223 -0.066 0.000 2.240 105 L HA -0.150 4.174 4.340 -0.026 0.000 0.211 105 L C 1.867 178.673 176.870 -0.106 0.000 1.106 105 L CA 0.694 55.441 54.840 -0.156 0.000 0.793 105 L CB -0.536 41.487 42.059 -0.061 0.000 0.927 105 L HN 0.256 nan 8.230 nan 0.000 0.446 106 N N 0.663 119.287 118.700 -0.127 0.000 2.244 106 N HA -0.123 4.602 4.740 -0.026 0.000 0.183 106 N C 1.912 177.340 175.510 -0.137 0.000 1.016 106 N CA 1.373 54.289 53.050 -0.224 0.000 0.866 106 N CB -0.162 37.894 38.487 -0.719 0.000 0.980 106 N HN 0.281 nan 8.380 nan 0.000 0.430 107 A N 0.682 123.431 122.820 -0.118 0.000 1.933 107 A HA -0.071 4.233 4.320 -0.026 0.000 0.218 107 A C 2.485 180.037 177.584 -0.055 0.000 1.175 107 A CA 1.193 53.203 52.037 -0.044 0.000 0.628 107 A CB -0.690 18.317 19.000 0.012 0.000 0.814 107 A HN 0.094 nan 8.150 nan 0.000 0.444 108 V N -0.418 119.418 119.914 -0.130 0.000 2.270 108 V HA -0.220 3.884 4.120 -0.026 0.000 0.245 108 V C 2.571 178.532 176.094 -0.221 0.000 1.043 108 V CA 2.038 64.238 62.300 -0.166 0.000 1.014 108 V CB -0.787 30.919 31.823 -0.195 0.000 0.645 108 V HN 0.367 nan 8.190 nan 0.000 0.447 109 V N -0.169 119.701 119.914 -0.073 0.000 2.407 109 V HA -0.296 3.809 4.120 -0.026 0.000 0.248 109 V C 2.396 178.579 176.094 0.148 0.000 1.055 109 V CA 2.113 64.461 62.300 0.080 0.000 1.049 109 V CB -0.675 31.319 31.823 0.286 0.000 0.662 109 V HN 0.526 nan 8.190 nan 0.000 0.455 110 M N 0.879 120.559 119.600 0.133 0.000 2.086 110 M HA -0.170 4.294 4.480 -0.026 0.000 0.261 110 M C 2.198 178.422 176.300 -0.127 0.000 1.067 110 M CA 2.717 58.015 55.300 -0.004 0.000 1.116 110 M CB -0.831 31.787 32.600 0.029 0.000 1.348 110 M HN 0.323 nan 8.290 nan 0.000 0.407 111 A N -0.448 122.347 122.820 -0.041 0.000 1.902 111 A HA -0.202 4.103 4.320 -0.026 0.000 0.217 111 A C 1.875 179.553 177.584 0.158 0.000 1.181 111 A CA 1.354 53.418 52.037 0.045 0.000 0.623 111 A CB -1.194 17.906 19.000 0.167 0.000 0.818 111 A HN 0.589 nan 8.150 nan 0.000 0.443 112 Y N -0.014 120.279 120.300 -0.012 0.000 2.165 112 Y HA -0.167 4.368 4.550 -0.026 0.000 0.286 112 Y C 2.969 178.856 175.900 -0.022 0.000 1.155 112 Y CA 0.495 58.616 58.100 0.035 0.000 1.164 112 Y CB -1.072 37.327 38.460 -0.102 0.000 0.978 112 Y HN 0.348 nan 8.280 nan 0.000 0.513 113 A N -0.330 122.508 122.820 0.029 0.000 1.898 113 A HA -0.044 4.261 4.320 -0.026 0.000 0.216 113 A C 2.506 180.011 177.584 -0.131 0.000 1.181 113 A CA 1.771 53.736 52.037 -0.120 0.000 0.620 113 A CB -1.172 17.586 19.000 -0.403 0.000 0.819 113 A HN 0.360 nan 8.150 nan 0.000 0.442 114 A N -0.748 121.978 122.820 -0.156 0.000 1.972 114 A HA -0.006 4.299 4.320 -0.026 0.000 0.219 114 A C 1.944 179.507 177.584 -0.034 0.000 1.169 114 A CA 1.810 53.791 52.037 -0.094 0.000 0.635 114 A CB -0.457 18.495 19.000 -0.080 0.000 0.810 114 A HN 0.412 nan 8.150 nan 0.000 0.446 115 S N -0.412 115.247 115.700 -0.069 0.000 2.573 115 S HA 0.457 4.912 4.470 -0.026 0.000 0.244 115 S C 1.526 175.930 174.600 -0.326 0.000 0.984 115 S CA 0.233 58.256 58.200 -0.296 0.000 1.001 115 S CB 0.277 63.248 63.200 -0.382 0.000 0.788 115 S HN 0.718 nan 8.310 nan 0.000 0.456 116 A N 2.181 124.970 122.820 -0.051 0.000 1.997 116 A HA -0.219 4.085 4.320 -0.026 0.000 0.221 116 A C 1.759 179.408 177.584 0.108 0.000 1.172 116 A CA 1.753 53.864 52.037 0.123 0.000 0.645 116 A CB -0.458 18.586 19.000 0.074 0.000 0.813 116 A HN 0.373 nan 8.150 nan 0.000 0.454 117 D N -1.800 118.580 120.400 -0.033 0.000 2.228 117 D HA -0.191 4.434 4.640 -0.026 0.000 0.203 117 D C 1.460 177.738 176.300 -0.037 0.000 0.988 117 D CA 1.393 55.408 54.000 0.025 0.000 0.864 117 D CB -0.444 40.450 40.800 0.155 0.000 0.928 117 D HN 0.695 nan 8.370 nan 0.000 0.469 118 Y N 0.360 120.382 120.300 -0.463 0.000 2.193 118 Y HA -0.246 4.289 4.550 -0.025 0.000 0.285 118 Y C 1.485 177.092 175.900 -0.488 0.000 1.166 118 Y CA 1.394 59.162 58.100 -0.553 0.000 1.181 118 Y CB -0.468 37.391 38.460 -1.002 0.000 0.976 118 Y HN -0.108 nan 8.280 nan 0.000 0.520 119 F N 0.367 120.248 119.950 -0.115 0.000 2.804 119 F HA 0.233 4.745 4.527 -0.026 0.000 0.303 119 F C 1.899 177.689 175.800 -0.018 0.000 1.154 119 F CA 0.499 58.458 58.000 -0.068 0.000 1.401 119 F CB -0.643 38.382 39.000 0.042 0.000 1.106 119 F HN 0.243 nan 8.300 nan 0.000 0.568 120 G N 1.154 109.974 108.800 0.033 0.000 2.629 120 G HA2 -0.451 3.494 3.960 -0.026 0.000 0.313 120 G HA3 -0.451 3.494 3.960 -0.026 0.000 0.313 120 G C 1.060 175.949 174.900 -0.018 0.000 1.217 120 G CA 0.855 45.948 45.100 -0.012 0.000 0.994 120 G HN 0.337 nan 8.290 nan 0.000 0.549 121 E N 0.431 120.538 120.200 -0.155 0.000 2.333 121 E HA 0.086 4.420 4.350 -0.026 0.000 0.198 121 E C 1.959 178.400 176.600 -0.266 0.000 1.007 121 E CA 1.280 57.511 56.400 -0.282 0.000 0.845 121 E CB -0.155 29.251 29.700 -0.490 0.000 0.766 121 E HN 0.414 nan 8.360 nan 0.000 0.507 122 F N -0.387 119.627 119.950 0.108 0.000 2.732 122 F HA 0.322 4.834 4.527 -0.026 0.000 0.303 122 F C 1.865 177.751 175.800 0.143 0.000 1.110 122 F CA -0.033 58.059 58.000 0.154 0.000 1.355 122 F CB -0.322 38.806 39.000 0.213 0.000 1.081 122 F HN -0.012 nan 8.300 nan 0.000 0.565 123 A N 0.176 123.148 122.820 0.252 0.000 1.892 123 A HA -0.261 4.043 4.320 -0.026 0.000 0.218 123 A C 2.231 179.897 177.584 0.137 0.000 1.188 123 A CA 2.124 54.275 52.037 0.190 0.000 0.631 123 A CB -0.559 18.524 19.000 0.138 0.000 0.822 123 A HN 0.288 nan 8.150 nan 0.000 0.447 124 E N 0.592 120.873 120.200 0.136 0.000 2.110 124 E HA -0.161 4.173 4.350 -0.026 0.000 0.193 124 E C 1.770 178.476 176.600 0.176 0.000 0.988 124 E CA 1.558 58.036 56.400 0.130 0.000 0.804 124 E CB -0.329 29.435 29.700 0.107 0.000 0.745 124 E HN 0.572 nan 8.360 nan 0.000 0.458 125 N N -0.303 118.547 118.700 0.249 0.000 2.104 125 N HA -0.134 4.591 4.740 -0.026 0.000 0.190 125 N C 1.803 177.495 175.510 0.303 0.000 1.024 125 N CA 1.458 54.717 53.050 0.349 0.000 0.853 125 N CB -0.423 38.367 38.487 0.504 0.000 1.008 125 N HN 0.091 nan 8.380 nan 0.000 0.424 126 V N 1.593 121.542 119.914 0.059 0.000 2.295 126 V HA -0.182 3.922 4.120 -0.026 0.000 0.246 126 V C 2.315 178.417 176.094 0.012 0.000 1.049 126 V CA 1.490 63.622 62.300 -0.280 0.000 1.024 126 V CB -0.370 31.123 31.823 -0.549 0.000 0.648 126 V HN 0.287 nan 8.190 nan 0.000 0.447 127 R N 0.271 120.817 120.500 0.077 0.000 2.081 127 R HA -0.145 4.180 4.340 -0.026 0.000 0.235 127 R C 2.213 178.649 176.300 0.227 0.000 1.131 127 R CA 1.607 57.794 56.100 0.144 0.000 0.960 127 R CB -0.514 29.853 30.300 0.111 0.000 0.856 127 R HN 0.527 nan 8.270 nan 0.000 0.436 128 N N 0.183 119.010 118.700 0.211 0.000 2.188 128 N HA -0.178 4.547 4.740 -0.026 0.000 0.184 128 N C 1.594 177.270 175.510 0.275 0.000 1.018 128 N CA 1.047 54.226 53.050 0.215 0.000 0.858 128 N CB -0.265 38.340 38.487 0.196 0.000 0.989 128 N HN 0.237 nan 8.380 nan 0.000 0.426 129 Y N 0.843 121.270 120.300 0.213 0.000 2.200 129 Y HA -0.236 4.298 4.550 -0.026 0.000 0.290 129 Y C 2.423 178.484 175.900 0.269 0.000 1.137 129 Y CA 1.200 59.472 58.100 0.286 0.000 1.163 129 Y CB -0.740 37.915 38.460 0.325 0.000 0.988 129 Y HN 0.092 nan 8.280 nan 0.000 0.518 130 Y N 0.893 121.238 120.300 0.075 0.000 2.128 130 Y HA -0.248 4.286 4.550 -0.026 0.000 0.284 130 Y C 2.443 178.286 175.900 -0.095 0.000 1.154 130 Y CA 2.146 60.245 58.100 -0.000 0.000 1.149 130 Y CB -0.578 37.913 38.460 0.052 0.000 0.976 130 Y HN -0.022 nan 8.280 nan 0.000 0.505 131 R N -1.209 119.188 120.500 -0.172 0.000 2.096 131 R HA -0.222 4.103 4.340 -0.026 0.000 0.235 131 R C 2.149 178.274 176.300 -0.290 0.000 1.127 131 R CA 1.685 57.597 56.100 -0.314 0.000 0.968 131 R CB -0.840 29.442 30.300 -0.029 0.000 0.861 131 R HN 0.504 nan 8.270 nan 0.000 0.440 132 Y N 1.631 121.769 120.300 -0.271 0.000 2.114 132 Y HA -0.181 4.354 4.550 -0.026 0.000 0.284 132 Y C 1.957 177.648 175.900 -0.349 0.000 1.143 132 Y CA 1.410 59.369 58.100 -0.235 0.000 1.135 132 Y CB -0.494 37.887 38.460 -0.132 0.000 0.980 132 Y HN -0.078 nan 8.280 nan 0.000 0.499 133 L N 0.064 120.951 121.223 -0.560 0.000 2.042 133 L HA -0.253 4.072 4.340 -0.026 0.000 0.210 133 L C 2.815 179.187 176.870 -0.829 0.000 1.076 133 L CA 1.900 56.395 54.840 -0.574 0.000 0.749 133 L CB -0.629 41.268 42.059 -0.270 0.000 0.893 133 L HN 0.210 nan 8.230 nan 0.000 0.432 134 R N 0.310 120.037 120.500 -1.288 0.000 2.070 134 R HA -0.175 4.150 4.340 -0.026 0.000 0.233 134 R C 1.909 177.650 176.300 -0.932 0.000 1.137 134 R CA 2.037 57.012 56.100 -1.875 0.000 0.945 134 R CB -0.192 29.078 30.300 -1.716 0.000 0.845 134 R HN 0.307 nan 8.270 nan 0.000 0.430 135 D N 0.400 120.433 120.400 -0.611 0.000 2.117 135 D HA -0.160 4.464 4.640 -0.026 0.000 0.197 135 D C 1.866 178.028 176.300 -0.230 0.000 0.987 135 D CA 1.131 54.964 54.000 -0.278 0.000 0.829 135 D CB -0.117 40.582 40.800 -0.167 0.000 0.961 135 D HN 0.316 nan 8.370 nan 0.000 0.460 136 Q N 0.179 119.779 119.800 -0.333 0.000 2.424 136 Q HA -0.032 4.293 4.340 -0.026 0.000 0.204 136 Q C -0.155 175.713 176.000 -0.220 0.000 0.933 136 Q CA 0.142 55.778 55.803 -0.278 0.000 0.929 136 Q CB 0.296 28.782 28.738 -0.420 0.000 1.037 136 Q HN 0.180 nan 8.270 nan 0.000 0.511 137 D N 0.496 120.755 120.400 -0.236 0.000 2.689 137 D HA -0.178 4.447 4.640 -0.026 0.000 0.237 137 D C -0.861 175.496 176.300 0.095 0.000 1.148 137 D CA 0.341 54.338 54.000 -0.005 0.000 0.656 137 D CB -1.188 39.654 40.800 0.070 0.000 1.050 137 D HN 0.208 nan 8.370 nan 0.000 0.426 138 L N -0.457 120.775 121.223 0.015 0.000 2.453 138 L HA 0.544 4.869 4.340 -0.026 0.000 0.261 138 L C 1.281 178.312 176.870 0.268 0.000 1.179 138 L CA -0.256 54.634 54.840 0.083 0.000 0.813 138 L CB 0.750 42.764 42.059 -0.075 0.000 1.110 138 L HN 0.226 nan 8.230 nan 0.000 0.466 139 A N 1.019 124.023 122.820 0.307 0.000 2.306 139 A HA 0.679 4.983 4.320 -0.026 0.000 0.314 139 A C -0.061 177.667 177.584 0.240 0.000 1.164 139 A CA -0.356 51.877 52.037 0.327 0.000 0.822 139 A CB 0.812 20.049 19.000 0.394 0.000 1.130 139 A HN 0.740 nan 8.150 nan 0.000 0.496 140 T N -1.185 113.511 114.554 0.236 0.000 2.916 140 T HA 0.795 5.130 4.350 -0.026 0.000 0.292 140 T C -0.245 174.578 174.700 0.206 0.000 1.064 140 T CA -0.503 61.716 62.100 0.198 0.000 1.011 140 T CB 1.828 70.809 68.868 0.188 0.000 1.152 140 T HN 0.903 nan 8.240 nan 0.000 0.510 141 T N 0.404 115.065 114.554 0.177 0.000 2.896 141 T HA 0.625 4.960 4.350 -0.026 0.000 0.297 141 T C -1.804 173.064 174.700 0.281 0.000 1.108 141 T CA -0.670 61.568 62.100 0.229 0.000 1.004 141 T CB 1.293 70.218 68.868 0.094 0.000 1.159 141 T HN 1.130 nan 8.240 nan 0.000 0.499 142 H N 0.131 119.268 119.070 0.112 0.000 2.980 142 H HA 0.833 5.374 4.556 -0.026 0.000 0.367 142 H C -1.692 173.714 175.328 0.130 0.000 1.206 142 H CA -1.222 54.868 56.048 0.071 0.000 1.126 142 H CB 1.428 31.198 29.762 0.013 0.000 1.838 142 H HN 0.800 nan 8.280 nan 0.000 0.552 143 A N 2.532 125.355 122.820 0.005 0.000 2.414 143 A HA 0.485 4.789 4.320 -0.026 0.000 0.286 143 A C -0.321 177.285 177.584 0.036 0.000 1.073 143 A CA -0.688 51.334 52.037 -0.024 0.000 0.727 143 A CB 0.380 19.443 19.000 0.105 0.000 1.215 143 A HN 0.615 nan 8.150 nan 0.000 0.430 144 L N 1.527 122.764 121.223 0.022 0.000 2.781 144 L HA 0.191 4.516 4.340 -0.026 0.000 0.245 144 L C 1.051 177.981 176.870 0.100 0.000 1.118 144 L CA 0.523 55.439 54.840 0.126 0.000 0.918 144 L CB 0.342 42.528 42.059 0.211 0.000 1.246 144 L HN 0.774 nan 8.230 nan 0.000 0.526 145 T N -2.405 112.182 114.554 0.056 0.000 2.902 145 T HA 0.415 4.749 4.350 -0.026 0.000 0.283 145 T C 0.078 174.795 174.700 0.028 0.000 1.009 145 T CA -0.783 61.341 62.100 0.040 0.000 1.051 145 T CB 1.738 70.616 68.868 0.017 0.000 0.999 145 T HN -0.103 nan 8.240 nan 0.000 0.474 146 N N 2.361 121.065 118.700 0.007 0.000 2.513 146 N HA 0.335 5.060 4.740 -0.026 0.000 0.274 146 N C -2.642 172.858 175.510 -0.017 0.000 1.189 146 N CA -1.639 51.403 53.050 -0.014 0.000 0.975 146 N CB 0.154 38.602 38.487 -0.064 0.000 1.157 146 N HN 0.461 nan 8.380 nan 0.000 0.465 147 P HA -0.046 nan 4.420 nan 0.000 0.262 147 P C -0.311 176.970 177.300 -0.031 0.000 1.182 147 P CA 0.232 63.324 63.100 -0.013 0.000 0.761 147 P CB 0.352 32.050 31.700 -0.004 0.000 0.795 148 Q N 3.170 122.950 119.800 -0.034 0.000 2.513 148 Q HA 0.116 4.441 4.340 -0.026 0.000 0.227 148 Q C -0.117 175.861 176.000 -0.037 0.000 1.257 148 Q CA -0.092 55.685 55.803 -0.044 0.000 0.915 148 Q CB -0.084 28.620 28.738 -0.056 0.000 1.507 148 Q HN 0.236 nan 8.270 nan 0.000 0.543 149 V N 2.800 122.692 119.914 -0.036 0.000 3.097 149 V HA 0.149 4.253 4.120 -0.026 0.000 0.223 149 V C 0.316 176.392 176.094 -0.030 0.000 1.199 149 V CA 0.146 62.427 62.300 -0.030 0.000 1.260 149 V CB 0.474 32.280 31.823 -0.028 0.000 1.155 149 V HN 0.620 nan 8.190 nan 0.000 0.509 150 N N 0.613 119.293 118.700 -0.033 0.000 2.716 150 N HA 0.217 4.942 4.740 -0.026 0.000 0.253 150 N C 0.616 176.107 175.510 -0.032 0.000 1.170 150 N CA -0.339 52.694 53.050 -0.029 0.000 0.807 150 N CB 0.922 39.394 38.487 -0.026 0.000 1.183 150 N HN -0.038 nan 8.380 nan 0.000 0.524 151 R N 1.305 121.787 120.500 -0.031 0.000 2.357 151 R HA 0.072 4.397 4.340 -0.026 0.000 0.202 151 R C 1.090 177.376 176.300 -0.022 0.000 1.047 151 R CA 0.481 56.564 56.100 -0.029 0.000 1.034 151 R CB -0.476 29.806 30.300 -0.030 0.000 0.875 151 R HN 0.540 nan 8.270 nan 0.000 0.473 152 A N 0.559 123.367 122.820 -0.020 0.000 2.169 152 A HA 0.065 4.369 4.320 -0.026 0.000 0.212 152 A C 0.619 178.194 177.584 -0.014 0.000 1.153 152 A CA 0.402 52.430 52.037 -0.015 0.000 0.756 152 A CB 0.232 19.224 19.000 -0.013 0.000 0.813 152 A HN -0.049 nan 8.150 nan 0.000 0.471 153 R N -0.273 120.214 120.500 -0.021 0.000 2.854 153 R HA 0.466 4.791 4.340 -0.026 0.000 0.271 153 R C -3.004 173.277 176.300 -0.032 0.000 0.996 153 R CA -2.240 53.846 56.100 -0.022 0.000 0.961 153 R CB 0.936 31.222 30.300 -0.023 0.000 1.182 153 R HN 0.092 nan 8.270 nan 0.000 0.479 154 P HA 0.248 nan 4.420 nan 0.000 0.275 154 P C -2.091 175.154 177.300 -0.093 0.000 1.266 154 P CA -1.318 61.756 63.100 -0.042 0.000 0.793 154 P CB 0.366 32.058 31.700 -0.014 0.000 1.074 155 P HA -0.155 nan 4.420 nan 0.000 0.217 155 P C 1.562 178.642 177.300 -0.367 0.000 1.148 155 P CA 1.926 64.801 63.100 -0.375 0.000 0.828 155 P CB -0.350 31.002 31.700 -0.581 0.000 0.783 156 S N -2.207 113.431 115.700 -0.104 0.000 2.603 156 S HA 0.135 4.590 4.470 -0.026 0.000 0.220 156 S C 1.667 176.274 174.600 0.011 0.000 0.967 156 S CA 0.538 58.780 58.200 0.070 0.000 0.920 156 S CB -0.883 62.418 63.200 0.169 0.000 0.773 156 S HN 0.177 nan 8.310 nan 0.000 0.529 157 G N 0.761 109.543 108.800 -0.029 0.000 3.690 157 G HA2 0.290 4.234 3.960 -0.026 0.000 0.283 157 G HA3 0.290 4.234 3.960 -0.026 0.000 0.283 157 G C 0.240 175.122 174.900 -0.031 0.000 1.057 157 G CA -0.459 44.629 45.100 -0.021 0.000 0.821 157 G HN 0.257 nan 8.290 nan 0.000 0.526 158 Q N 0.175 119.947 119.800 -0.047 0.000 2.316 158 Q HA 0.204 4.528 4.340 -0.026 0.000 0.215 158 Q C -1.480 174.508 176.000 -0.021 0.000 1.020 158 Q CA -1.776 54.002 55.803 -0.042 0.000 0.970 158 Q CB 0.734 29.435 28.738 -0.062 0.000 1.187 158 Q HN -0.068 nan 8.270 nan 0.000 0.546 159 P HA -0.128 nan 4.420 nan 0.000 0.218 159 P C -0.433 176.872 177.300 0.007 0.000 1.146 159 P CA 1.457 64.555 63.100 -0.003 0.000 0.813 159 P CB 0.315 32.014 31.700 -0.002 0.000 0.778 160 D N -3.067 117.339 120.400 0.010 0.000 2.756 160 D HA 0.158 4.782 4.640 -0.026 0.000 0.226 160 D C -1.936 174.370 176.300 0.011 0.000 1.186 160 D CA -2.251 51.767 54.000 0.030 0.000 0.845 160 D CB 1.463 42.301 40.800 0.063 0.000 1.610 160 D HN -0.224 nan 8.370 nan 0.000 0.465 161 P HA -0.107 nan 4.420 nan 0.000 0.222 161 P C 0.072 177.235 177.300 -0.228 0.000 1.147 161 P CA 0.947 63.962 63.100 -0.141 0.000 0.790 161 P CB 0.181 31.717 31.700 -0.274 0.000 0.780 162 Y N -0.810 119.567 120.300 0.128 0.000 2.801 162 Y HA 0.306 4.841 4.550 -0.026 0.000 0.318 162 Y C 2.018 177.974 175.900 0.093 0.000 1.073 162 Y CA -0.379 57.802 58.100 0.135 0.000 1.360 162 Y CB -0.545 37.968 38.460 0.089 0.000 1.220 162 Y HN -0.150 nan 8.280 nan 0.000 0.536 163 I N 0.620 121.271 120.570 0.135 0.000 2.339 163 I HA -0.010 4.144 4.170 -0.026 0.000 0.245 163 I C -1.540 174.621 176.117 0.073 0.000 1.096 163 I CA -0.158 61.190 61.300 0.079 0.000 1.408 163 I CB -0.557 37.452 38.000 0.015 0.000 1.092 163 I HN 0.103 nan 8.210 nan 0.000 0.423 164 P HA 0.077 nan 4.420 nan 0.000 0.276 164 P C -0.734 176.668 177.300 0.169 0.000 1.252 164 P CA -0.092 62.995 63.100 -0.022 0.000 0.802 164 P CB 0.877 32.369 31.700 -0.346 0.000 1.035 165 V N 1.575 121.585 119.914 0.160 0.000 2.446 165 V HA 0.444 4.548 4.120 -0.026 0.000 0.276 165 V C 1.011 177.295 176.094 0.317 0.000 1.030 165 V CA 0.780 63.175 62.300 0.159 0.000 1.033 165 V CB -0.290 31.489 31.823 -0.073 0.000 0.993 165 V HN 0.757 nan 8.190 nan 0.000 0.477 166 G N 3.403 112.414 108.800 0.351 0.000 2.605 166 G HA2 0.590 4.535 3.960 -0.026 0.000 0.296 166 G HA3 0.590 4.535 3.960 -0.026 0.000 0.296 166 G C -1.121 173.897 174.900 0.197 0.000 1.304 166 G CA -0.705 44.547 45.100 0.253 0.000 0.941 166 G HN 0.462 nan 8.290 nan 0.000 0.475 167 V N 1.428 121.382 119.914 0.067 0.000 2.470 167 V HA 0.096 4.200 4.120 -0.026 0.000 0.276 167 V C 1.261 177.402 176.094 0.079 0.000 1.040 167 V CA -0.207 62.097 62.300 0.006 0.000 1.008 167 V CB 1.092 32.889 31.823 -0.043 0.000 0.990 167 V HN 0.540 nan 8.190 nan 0.000 0.477 168 V N 4.567 124.451 119.914 -0.050 0.000 2.379 168 V HA 0.068 4.172 4.120 -0.026 0.000 0.243 168 V C 0.669 176.738 176.094 -0.042 0.000 1.035 168 V CA 1.566 63.805 62.300 -0.102 0.000 1.035 168 V CB -0.455 31.206 31.823 -0.270 0.000 0.673 168 V HN 1.054 nan 8.190 nan 0.000 0.457 169 K N -0.654 119.704 120.400 -0.070 0.000 2.615 169 K HA 0.528 4.832 4.320 -0.026 0.000 0.291 169 K C -1.702 174.860 176.600 -0.064 0.000 1.017 169 K CA -0.859 55.402 56.287 -0.043 0.000 0.882 169 K CB 1.521 33.998 32.500 -0.040 0.000 1.522 169 K HN 0.046 nan 8.250 nan 0.000 0.412 170 Q N 0.951 120.748 119.800 -0.006 0.000 2.337 170 Q HA 0.455 4.779 4.340 -0.026 0.000 0.266 170 Q C -0.906 175.141 176.000 0.077 0.000 1.023 170 Q CA -0.936 54.886 55.803 0.032 0.000 0.829 170 Q CB 2.491 31.342 28.738 0.190 0.000 1.306 170 Q HN 0.837 nan 8.270 nan 0.000 0.449 171 T N -2.946 111.654 114.554 0.077 0.000 2.773 171 T HA 0.218 4.553 4.350 -0.026 0.000 0.278 171 T C 0.909 175.773 174.700 0.274 0.000 1.011 171 T CA -0.746 61.419 62.100 0.110 0.000 1.014 171 T CB 1.036 69.913 68.868 0.016 0.000 1.293 171 T HN 0.623 nan 8.240 nan 0.000 0.554 172 E N 0.426 120.747 120.200 0.202 0.000 2.268 172 E HA -0.084 4.251 4.350 -0.026 0.000 0.195 172 E C 1.247 178.047 176.600 0.333 0.000 0.995 172 E CA 0.820 57.367 56.400 0.246 0.000 0.836 172 E CB -0.168 29.605 29.700 0.122 0.000 0.763 172 E HN 0.482 nan 8.360 nan 0.000 0.491 173 K N 0.622 121.134 120.400 0.186 0.000 2.262 173 K HA 0.204 4.509 4.320 -0.026 0.000 0.200 173 K C 1.183 177.702 176.600 -0.135 0.000 1.049 173 K CA 0.960 57.305 56.287 0.097 0.000 0.979 173 K CB 0.937 33.434 32.500 -0.005 0.000 0.773 173 K HN 0.304 nan 8.250 nan 0.000 0.474 174 G N 0.865 109.348 108.800 -0.530 0.000 2.455 174 G HA2 0.174 4.119 3.960 -0.026 0.000 0.223 174 G HA3 0.174 4.119 3.960 -0.026 0.000 0.223 174 G C -1.520 172.721 174.900 -1.099 0.000 1.226 174 G CA -0.538 43.683 45.100 -1.466 0.000 0.948 174 G HN 0.092 nan 8.290 nan 0.000 0.478 175 I N -1.394 118.594 120.570 -0.970 0.000 2.603 175 I HA 0.853 5.008 4.170 -0.026 0.000 0.300 175 I C -0.672 175.175 176.117 -0.450 0.000 1.017 175 I CA -1.359 59.568 61.300 -0.621 0.000 1.098 175 I CB 2.192 39.828 38.000 -0.606 0.000 1.279 175 I HN 0.302 nan 8.210 nan 0.000 0.437 176 V N 5.787 125.516 119.914 -0.308 0.000 2.394 176 V HA 0.468 4.572 4.120 -0.026 0.000 0.282 176 V C 0.238 176.191 176.094 -0.234 0.000 1.031 176 V CA -0.530 61.623 62.300 -0.247 0.000 0.881 176 V CB 1.392 33.108 31.823 -0.179 0.000 0.982 176 V HN 0.655 nan 8.190 nan 0.000 0.451 177 V N 3.225 123.000 119.914 -0.231 0.000 2.715 177 V HA 0.821 4.925 4.120 -0.026 0.000 0.310 177 V C -0.464 175.577 176.094 -0.089 0.000 1.054 177 V CA -0.920 61.271 62.300 -0.182 0.000 0.928 177 V CB 1.874 33.527 31.823 -0.284 0.000 1.007 177 V HN 0.925 nan 8.190 nan 0.000 0.437 178 R N 1.546 122.014 120.500 -0.053 0.000 2.604 178 R HA 0.764 5.089 4.340 -0.026 0.000 0.281 178 R C -0.141 176.262 176.300 0.172 0.000 1.020 178 R CA 0.441 56.539 56.100 -0.004 0.000 0.899 178 R CB 1.957 32.087 30.300 -0.283 0.000 1.205 178 R HN 1.814 nan 8.270 nan 0.000 0.450 179 G N 1.224 110.157 108.800 0.222 0.000 2.320 179 G HA2 0.377 4.322 3.960 -0.026 0.000 0.274 179 G HA3 0.377 4.322 3.960 -0.026 0.000 0.274 179 G C -1.894 173.183 174.900 0.294 0.000 1.324 179 G CA -0.304 44.943 45.100 0.246 0.000 0.957 179 G HN 0.900 nan 8.290 nan 0.000 0.481 180 A N -0.806 122.159 122.820 0.242 0.000 2.587 180 A HA 0.923 5.228 4.320 -0.026 0.000 0.293 180 A C -0.865 176.840 177.584 0.201 0.000 1.087 180 A CA -0.579 51.615 52.037 0.261 0.000 0.692 180 A CB 1.926 21.003 19.000 0.129 0.000 1.291 180 A HN 0.791 nan 8.150 nan 0.000 0.407 181 R N 0.875 121.505 120.500 0.216 0.000 2.562 181 R HA 0.392 4.717 4.340 -0.026 0.000 0.298 181 R C 0.675 177.028 176.300 0.089 0.000 0.961 181 R CA -0.885 55.302 56.100 0.145 0.000 0.881 181 R CB 1.408 31.822 30.300 0.190 0.000 1.159 181 R HN 0.938 nan 8.270 nan 0.000 0.450 182 M N 0.949 120.580 119.600 0.053 0.000 2.086 182 M HA -0.071 4.393 4.480 -0.026 0.000 0.261 182 M C -0.072 176.252 176.300 0.039 0.000 1.067 182 M CA 2.018 57.337 55.300 0.031 0.000 1.116 182 M CB 0.276 32.879 32.600 0.005 0.000 1.348 182 M HN 0.489 nan 8.290 nan 0.000 0.407 183 T N 0.140 114.718 114.554 0.041 0.000 2.952 183 T HA 0.749 5.084 4.350 -0.026 0.000 0.305 183 T C -1.494 173.236 174.700 0.050 0.000 1.064 183 T CA -0.436 61.695 62.100 0.052 0.000 1.008 183 T CB 1.761 70.652 68.868 0.037 0.000 1.078 183 T HN 0.232 nan 8.240 nan 0.000 0.459 184 A N 2.400 125.283 122.820 0.104 0.000 2.385 184 A HA 0.734 5.039 4.320 -0.026 0.000 0.290 184 A C -0.076 177.589 177.584 0.136 0.000 1.094 184 A CA -0.707 51.404 52.037 0.123 0.000 0.729 184 A CB 0.979 20.135 19.000 0.259 0.000 1.194 184 A HN 0.668 nan 8.150 nan 0.000 0.442 185 T N 1.526 116.159 114.554 0.132 0.000 2.875 185 T HA 0.507 4.841 4.350 -0.026 0.000 0.284 185 T C -0.104 174.732 174.700 0.226 0.000 0.995 185 T CA 0.258 62.450 62.100 0.154 0.000 1.060 185 T CB 0.165 69.112 68.868 0.133 0.000 0.967 185 T HN 1.452 nan 8.240 nan 0.000 0.476 186 F N 3.434 123.391 119.950 0.011 0.000 2.803 186 F HA -0.123 4.389 4.527 -0.026 0.000 0.323 186 F C -1.909 173.871 175.800 -0.032 0.000 1.033 186 F CA -0.725 57.271 58.000 -0.006 0.000 1.066 186 F CB -0.682 38.301 39.000 -0.027 0.000 1.283 186 F HN 0.427 nan 8.300 nan 0.000 0.816 187 P HA 0.008 nan 4.420 nan 0.000 0.249 187 P C 0.534 177.412 177.300 -0.702 0.000 1.241 187 P CA 0.344 63.111 63.100 -0.555 0.000 0.781 187 P CB 0.149 31.518 31.700 -0.551 0.000 1.088 188 L N 0.232 120.935 121.223 -0.867 0.000 2.583 188 L HA 0.404 4.728 4.340 -0.026 0.000 0.239 188 L C 0.884 177.404 176.870 -0.582 0.000 1.347 188 L CA -0.363 54.066 54.840 -0.684 0.000 1.246 188 L CB -1.452 40.308 42.059 -0.499 0.000 1.496 188 L HN -0.042 nan 8.230 nan 0.000 0.413 189 A N -0.253 122.314 122.820 -0.422 0.000 2.479 189 A HA 0.577 4.882 4.320 -0.026 0.000 0.296 189 A C 0.640 178.190 177.584 -0.057 0.000 1.121 189 A CA -0.535 51.421 52.037 -0.135 0.000 0.743 189 A CB 1.428 20.364 19.000 -0.107 0.000 1.323 189 A HN 0.375 nan 8.150 nan 0.000 0.415 190 D N -0.017 120.424 120.400 0.069 0.000 2.213 190 D HA 0.027 4.651 4.640 -0.026 0.000 0.205 190 D C -0.216 176.160 176.300 0.126 0.000 0.961 190 D CA 1.019 55.067 54.000 0.080 0.000 0.853 190 D CB 0.509 41.374 40.800 0.108 0.000 0.967 190 D HN 0.535 nan 8.370 nan 0.000 0.496 191 E N 0.561 120.859 120.200 0.163 0.000 2.312 191 E HA 0.419 4.754 4.350 -0.026 0.000 0.267 191 E C -1.131 175.598 176.600 0.216 0.000 0.894 191 E CA -0.748 55.798 56.400 0.244 0.000 0.773 191 E CB 3.500 33.421 29.700 0.368 0.000 1.241 191 E HN -0.187 nan 8.360 nan 0.000 0.432 192 V N 3.242 123.307 119.914 0.252 0.000 2.540 192 V HA 0.451 4.556 4.120 -0.026 0.000 0.302 192 V C -1.170 175.010 176.094 0.142 0.000 1.035 192 V CA -0.643 61.799 62.300 0.236 0.000 0.873 192 V CB 1.191 33.242 31.823 0.380 0.000 0.992 192 V HN 0.485 nan 8.190 nan 0.000 0.428 193 L N 7.387 128.607 121.223 -0.005 0.000 2.265 193 L HA 0.548 4.872 4.340 -0.026 0.000 0.289 193 L C -0.552 176.137 176.870 -0.301 0.000 1.033 193 L CA -0.614 54.003 54.840 -0.373 0.000 0.814 193 L CB 1.512 42.993 42.059 -0.963 0.000 1.203 193 L HN 0.439 nan 8.230 nan 0.000 0.423 194 I N 4.208 124.594 120.570 -0.306 0.000 2.395 194 I HA 0.288 4.443 4.170 -0.026 0.000 0.282 194 I C -0.096 176.049 176.117 0.046 0.000 1.107 194 I CA -0.021 61.089 61.300 -0.317 0.000 1.210 194 I CB -0.408 36.974 38.000 -1.029 0.000 1.456 194 I HN 0.311 nan 8.210 nan 0.000 0.504 195 F N 5.143 125.127 119.950 0.057 0.000 2.461 195 F HA 0.617 5.128 4.527 -0.026 0.000 0.332 195 F C -1.543 174.408 175.800 0.253 0.000 1.073 195 F CA -2.887 55.237 58.000 0.207 0.000 1.017 195 F CB -0.171 39.057 39.000 0.379 0.000 1.301 195 F HN 0.137 nan 8.300 nan 0.000 0.492 200 L N 1.743 123.024 121.223 0.097 0.000 2.371 200 L HA 0.623 4.948 4.340 -0.026 0.000 0.272 200 L C 0.760 177.676 176.870 0.077 0.000 1.124 200 L CA -0.484 54.409 54.840 0.088 0.000 0.816 200 L CB 1.527 43.655 42.059 0.115 0.000 1.129 200 L HN 0.871 nan 8.230 nan 0.000 0.448 201 Q N 1.452 121.291 119.800 0.065 0.000 2.256 201 Q HA 0.511 4.835 4.340 -0.026 0.000 0.232 201 Q C 0.007 176.045 176.000 0.064 0.000 0.965 201 Q CA -0.552 55.285 55.803 0.056 0.000 0.908 201 Q CB 1.180 29.944 28.738 0.043 0.000 1.209 201 Q HN 0.718 nan 8.270 nan 0.000 0.489 202 A N 0.630 123.482 122.820 0.053 0.000 2.561 202 A HA 0.398 4.702 4.320 -0.026 0.000 0.234 202 A C 1.091 178.708 177.584 0.054 0.000 1.055 202 A CA 0.730 52.797 52.037 0.050 0.000 0.756 202 A CB -0.798 18.225 19.000 0.038 0.000 0.986 202 A HN 1.094 nan 8.150 nan 0.000 0.505 203 G N 0.696 109.529 108.800 0.055 0.000 2.141 203 G HA2 -0.177 3.768 3.960 -0.026 0.000 0.231 203 G HA3 -0.177 3.768 3.960 -0.026 0.000 0.231 203 G C 0.523 175.476 174.900 0.089 0.000 0.984 203 G CA 0.471 45.604 45.100 0.055 0.000 0.660 203 G HN 1.298 nan 8.290 nan 0.000 0.525 204 S N 0.061 115.833 115.700 0.119 0.000 2.574 204 S HA 0.321 4.776 4.470 -0.026 0.000 0.242 204 S C 1.513 176.197 174.600 0.140 0.000 0.982 204 S CA 0.388 58.725 58.200 0.229 0.000 0.977 204 S CB 0.494 63.846 63.200 0.252 0.000 0.814 204 S HN 0.403 nan 8.310 nan 0.000 0.464 205 E N 2.913 123.139 120.200 0.043 0.000 2.114 205 E HA -0.244 4.091 4.350 -0.026 0.000 0.199 205 E C 1.916 178.481 176.600 -0.059 0.000 1.008 205 E CA 1.415 57.820 56.400 0.008 0.000 0.810 205 E CB -0.234 29.465 29.700 -0.001 0.000 0.739 205 E HN 0.698 nan 8.360 nan 0.000 0.456 206 K N -0.591 119.672 120.400 -0.227 0.000 2.442 206 K HA -0.128 4.177 4.320 -0.026 0.000 0.198 206 K C 0.785 177.149 176.600 -0.392 0.000 1.042 206 K CA 1.189 57.263 56.287 -0.356 0.000 0.958 206 K CB -0.096 32.084 32.500 -0.533 0.000 0.766 206 K HN 0.227 nan 8.250 nan 0.000 0.474 207 Y N 0.529 120.850 120.300 0.035 0.000 2.444 207 Y HA 0.361 4.896 4.550 -0.025 0.000 0.249 207 Y C 0.983 176.922 175.900 0.065 0.000 1.134 207 Y CA -0.551 57.575 58.100 0.045 0.000 1.261 207 Y CB 0.468 38.944 38.460 0.028 0.000 1.143 207 Y HN 0.077 nan 8.280 nan 0.000 0.523 208 A N 1.968 124.889 122.820 0.168 0.000 2.981 208 A HA 0.482 4.786 4.320 -0.026 0.000 0.280 208 A C -0.275 177.388 177.584 0.132 0.000 1.743 208 A CA 0.121 52.246 52.037 0.146 0.000 1.430 208 A CB -1.414 17.656 19.000 0.116 0.000 1.085 208 A HN 0.356 nan 8.150 nan 0.000 0.597 209 L N 0.446 121.761 121.223 0.154 0.000 2.301 209 L HA 0.894 5.219 4.340 -0.026 0.000 0.264 209 L C 0.107 177.072 176.870 0.158 0.000 1.016 209 L CA -0.800 54.138 54.840 0.164 0.000 0.821 209 L CB 2.337 44.540 42.059 0.239 0.000 1.346 209 L HN 0.447 nan 8.230 nan 0.000 0.429 210 A N 2.048 124.964 122.820 0.160 0.000 2.485 210 A HA 0.754 5.059 4.320 -0.026 0.000 0.285 210 A C -1.246 176.398 177.584 0.101 0.000 1.045 210 A CA -0.342 51.778 52.037 0.137 0.000 0.792 210 A CB 0.783 19.846 19.000 0.105 0.000 1.307 210 A HN 0.612 nan 8.150 nan 0.000 0.406 211 F N -0.182 119.804 119.950 0.061 0.000 2.779 211 F HA 0.942 5.454 4.527 -0.025 0.000 0.316 211 F C -0.387 175.387 175.800 -0.043 0.000 1.164 211 F CA -0.802 56.986 58.000 -0.354 0.000 0.924 211 F CB 1.056 39.818 39.000 -0.397 0.000 1.348 211 F HN 1.077 nan 8.300 nan 0.000 0.467 212 A N 1.428 124.239 122.820 -0.014 0.000 2.475 212 A HA 0.921 5.225 4.320 -0.026 0.000 0.301 212 A C -1.879 175.808 177.584 0.171 0.000 1.059 212 A CA -0.837 51.238 52.037 0.064 0.000 0.710 212 A CB 1.686 20.588 19.000 -0.163 0.000 1.288 212 A HN 0.890 nan 8.150 nan 0.000 0.408 213 L N 0.955 122.334 121.223 0.260 0.000 2.465 213 L HA 0.493 4.818 4.340 -0.026 0.000 0.257 213 L C -2.734 174.291 176.870 0.258 0.000 0.988 213 L CA -2.218 52.773 54.840 0.252 0.000 0.827 213 L CB 2.967 45.199 42.059 0.289 0.000 1.397 213 L HN 0.394 nan 8.230 nan 0.000 0.410 214 P HA 0.065 nan 4.420 nan 0.000 0.271 214 P C 0.521 177.928 177.300 0.178 0.000 1.216 214 P CA -0.245 62.975 63.100 0.199 0.000 0.776 214 P CB 0.665 32.457 31.700 0.154 0.000 0.881 215 T N -2.312 112.338 114.554 0.160 0.000 3.155 215 T HA -0.091 4.243 4.350 -0.026 0.000 0.264 215 T C 1.157 175.954 174.700 0.163 0.000 1.160 215 T CA 1.147 63.364 62.100 0.195 0.000 1.075 215 T CB -0.805 68.064 68.868 0.003 0.000 0.921 215 T HN 0.404 nan 8.240 nan 0.000 0.533 216 S N -0.175 115.576 115.700 0.085 0.000 2.540 216 S HA 0.167 4.621 4.470 -0.026 0.000 0.218 216 S C 0.619 175.230 174.600 0.020 0.000 0.977 216 S CA -0.596 57.627 58.200 0.039 0.000 0.918 216 S CB -0.521 62.686 63.200 0.012 0.000 0.806 216 S HN 0.374 nan 8.310 nan 0.000 0.496 217 T N 5.383 119.956 114.554 0.033 0.000 2.905 217 T HA 0.157 4.491 4.350 -0.026 0.000 0.299 217 T C -2.567 172.099 174.700 -0.057 0.000 1.024 217 T CA -0.230 61.871 62.100 0.002 0.000 1.151 217 T CB 0.108 68.993 68.868 0.027 0.000 0.987 217 T HN 0.223 nan 8.240 nan 0.000 0.535 218 P HA 0.204 nan 4.420 nan 0.000 0.265 218 P C 1.060 178.297 177.300 -0.106 0.000 1.193 218 P CA 0.825 63.886 63.100 -0.066 0.000 0.765 218 P CB 0.330 32.012 31.700 -0.030 0.000 0.823 219 G N 1.733 110.431 108.800 -0.170 0.000 2.217 219 G HA2 -0.245 3.700 3.960 -0.026 0.000 0.246 219 G HA3 -0.245 3.700 3.960 -0.026 0.000 0.246 219 G C -0.252 174.413 174.900 -0.391 0.000 0.990 219 G CA -0.141 44.855 45.100 -0.173 0.000 0.627 219 G HN 0.586 nan 8.290 nan 0.000 0.522 220 L N 2.661 123.579 121.223 -0.508 0.000 2.275 220 L HA 0.776 5.101 4.340 -0.026 0.000 0.288 220 L C -0.273 176.140 176.870 -0.763 0.000 1.046 220 L CA -1.020 53.445 54.840 -0.626 0.000 0.805 220 L CB 0.654 42.461 42.059 -0.420 0.000 1.193 220 L HN 0.253 nan 8.230 nan 0.000 0.426 221 H N 5.096 123.916 119.070 -0.416 0.000 2.717 221 H HA 0.401 4.941 4.556 -0.026 0.000 0.366 221 H C -1.439 173.649 175.328 -0.401 0.000 1.132 221 H CA -0.379 55.567 56.048 -0.170 0.000 1.180 221 H CB 1.540 31.239 29.762 -0.105 0.000 1.678 221 H HN 0.469 nan 8.280 nan 0.000 0.537 222 F N 1.418 121.497 119.950 0.215 0.000 2.403 222 F HA 0.244 4.755 4.527 -0.026 0.000 0.355 222 F C 0.166 176.087 175.800 0.202 0.000 1.119 222 F CA -0.787 57.286 58.000 0.121 0.000 1.007 222 F CB 1.475 40.508 39.000 0.055 0.000 1.194 222 F HN 0.121 nan 8.300 nan 0.000 0.443 223 V N 3.396 123.450 119.914 0.233 0.000 2.334 223 V HA 0.164 4.268 4.120 -0.026 0.000 0.267 223 V C 0.154 176.378 176.094 0.217 0.000 1.040 223 V CA -0.877 61.536 62.300 0.187 0.000 0.866 223 V CB 0.444 32.273 31.823 0.011 0.000 1.019 223 V HN 0.832 nan 8.190 nan 0.000 0.468 224 C N 6.068 125.549 119.300 0.302 0.000 2.652 224 C HA 0.407 4.851 4.460 -0.026 0.000 0.412 224 C C 1.237 176.366 174.990 0.233 0.000 1.294 224 C CA -0.693 58.522 59.018 0.329 0.000 2.127 224 C CB -0.172 27.904 27.740 0.559 0.000 2.691 224 C HN 1.035 nan 8.230 nan 0.000 0.615 225 R N 1.520 122.144 120.500 0.207 0.000 2.531 225 R HA 0.524 4.849 4.340 -0.026 0.000 0.260 225 R C -0.109 176.305 176.300 0.190 0.000 1.144 225 R CA -0.569 55.615 56.100 0.139 0.000 1.171 225 R CB 0.274 30.640 30.300 0.111 0.000 1.199 225 R HN 0.599 nan 8.270 nan 0.000 0.594 226 E N 0.421 120.696 120.200 0.125 0.000 2.529 226 E HA 0.065 4.400 4.350 -0.026 0.000 0.259 226 E C -0.791 175.930 176.600 0.201 0.000 0.966 226 E CA 0.491 56.981 56.400 0.150 0.000 0.937 226 E CB 0.449 30.202 29.700 0.087 0.000 0.923 226 E HN 0.636 nan 8.360 nan 0.000 0.468 227 A N 4.731 127.719 122.820 0.279 0.000 2.407 227 A HA 0.305 4.609 4.320 -0.026 0.000 0.248 227 A C 0.297 177.915 177.584 0.055 0.000 1.082 227 A CA -0.273 51.818 52.037 0.090 0.000 0.785 227 A CB 0.319 19.259 19.000 -0.100 0.000 1.020 227 A HN 0.758 nan 8.150 nan 0.000 0.489 228 L N 2.539 123.780 121.223 0.030 0.000 3.066 228 L HA 0.161 4.485 4.340 -0.026 0.000 0.265 228 L C -0.520 176.359 176.870 0.015 0.000 1.232 228 L CA -0.188 54.687 54.840 0.058 0.000 1.031 228 L CB 0.322 42.453 42.059 0.119 0.000 1.379 228 L HN 0.422 nan 8.230 nan 0.000 0.563 229 V N 1.019 120.893 119.914 -0.066 0.000 2.439 229 V HA 0.136 4.241 4.120 -0.026 0.000 0.271 229 V C 1.534 177.519 176.094 -0.182 0.000 1.040 229 V CA 0.367 62.586 62.300 -0.136 0.000 1.002 229 V CB 0.958 32.681 31.823 -0.167 0.000 1.000 229 V HN 0.459 nan 8.190 nan 0.000 0.477 230 G N 3.439 112.061 108.800 -0.297 0.000 2.448 230 G HA2 0.433 4.377 3.960 -0.026 0.000 0.218 230 G HA3 0.433 4.377 3.960 -0.026 0.000 0.218 230 G C 0.610 174.972 174.900 -0.897 0.000 1.135 230 G CA 0.770 45.495 45.100 -0.624 0.000 0.784 230 G HN 1.186 nan 8.290 nan 0.000 0.543 231 G N -1.071 107.371 108.800 -0.597 0.000 2.327 231 G HA2 0.305 4.249 3.960 -0.026 0.000 0.291 231 G HA3 0.305 4.249 3.960 -0.026 0.000 0.291 231 G C -0.873 173.997 174.900 -0.050 0.000 1.290 231 G CA 0.103 45.065 45.100 -0.231 0.000 0.857 231 G HN -0.110 nan 8.290 nan 0.000 0.520 232 D N -0.159 120.263 120.400 0.037 0.000 2.389 232 D HA 0.167 4.792 4.640 -0.026 0.000 0.206 232 D C 1.381 177.736 176.300 0.092 0.000 1.055 232 D CA 0.657 54.683 54.000 0.043 0.000 0.856 232 D CB 0.789 41.601 40.800 0.020 0.000 0.957 232 D HN 0.356 nan 8.370 nan 0.000 0.509 233 S N 2.493 118.292 115.700 0.164 0.000 2.498 233 S HA 0.083 4.538 4.470 -0.026 0.000 0.281 233 S C -1.318 173.381 174.600 0.164 0.000 1.265 233 S CA -1.138 57.162 58.200 0.166 0.000 1.071 233 S CB 1.235 64.554 63.200 0.198 0.000 0.894 233 S HN -0.073 nan 8.310 nan 0.000 0.491 234 P HA -0.062 nan 4.420 nan 0.000 0.223 234 P C 1.168 178.528 177.300 0.100 0.000 1.151 234 P CA 0.709 63.861 63.100 0.087 0.000 0.787 234 P CB 0.005 31.744 31.700 0.064 0.000 0.788 235 F N 1.904 121.859 119.950 0.007 0.000 2.118 235 F HA -0.083 4.429 4.527 -0.024 0.000 0.293 235 F C 1.682 177.464 175.800 -0.031 0.000 1.102 235 F CA 1.606 59.603 58.000 -0.005 0.000 1.247 235 F CB -0.457 38.542 39.000 -0.002 0.000 1.017 235 F HN -0.241 nan 8.300 nan 0.000 0.475 236 D N -1.241 119.245 120.400 0.144 0.000 2.149 236 D HA -0.078 4.547 4.640 -0.026 0.000 0.201 236 D C 0.252 176.232 176.300 -0.533 0.000 0.972 236 D CA 1.498 55.384 54.000 -0.190 0.000 0.835 236 D CB -0.284 40.410 40.800 -0.175 0.000 0.966 236 D HN 0.435 nan 8.370 nan 0.000 0.476 237 H N -1.036 118.102 119.070 0.114 0.000 2.439 237 H HA 0.178 4.718 4.556 -0.026 0.000 0.228 237 H C -1.754 173.561 175.328 -0.022 0.000 1.423 237 H CA -1.224 54.878 56.048 0.091 0.000 1.386 237 H CB 1.395 31.201 29.762 0.073 0.000 1.641 237 H HN -0.038 nan 8.280 nan 0.000 0.508 238 P HA -0.212 nan 4.420 nan 0.000 0.217 238 P C 0.900 178.132 177.300 -0.112 0.000 1.148 238 P CA 1.360 64.430 63.100 -0.050 0.000 0.828 238 P CB 0.936 32.593 31.700 -0.072 0.000 0.783 239 L N -0.697 120.408 121.223 -0.196 0.000 2.433 239 L HA 0.053 4.377 4.340 -0.026 0.000 0.200 239 L C 2.790 179.212 176.870 -0.748 0.000 1.059 239 L CA 1.124 55.718 54.840 -0.411 0.000 0.835 239 L CB -0.834 40.992 42.059 -0.387 0.000 1.076 239 L HN -0.031 nan 8.230 nan 0.000 0.481 240 S N -0.388 114.834 115.700 -0.796 0.000 2.442 240 S HA -0.144 4.311 4.470 -0.026 0.000 0.236 240 S C 1.983 176.371 174.600 -0.354 0.000 1.007 240 S CA 1.122 58.865 58.200 -0.761 0.000 0.965 240 S CB -0.486 62.484 63.200 -0.382 0.000 0.773 240 S HN 0.475 nan 8.310 nan 0.000 0.504 241 S N 2.208 117.783 115.700 -0.208 0.000 2.522 241 S HA 0.043 4.498 4.470 -0.026 0.000 0.227 241 S C 1.725 176.253 174.600 -0.121 0.000 0.986 241 S CA 0.363 58.494 58.200 -0.114 0.000 0.929 241 S CB -0.398 62.792 63.200 -0.017 0.000 0.769 241 S HN 0.895 nan 8.310 nan 0.000 0.529 242 R N -0.407 119.988 120.500 -0.175 0.000 2.612 242 R HA 0.325 4.650 4.340 -0.026 0.000 0.260 242 R C 0.107 176.325 176.300 -0.138 0.000 0.943 242 R CA 0.261 56.284 56.100 -0.128 0.000 1.036 242 R CB 0.355 30.592 30.300 -0.106 0.000 1.520 242 R HN 0.336 nan 8.270 nan 0.000 0.563 243 V N 1.615 121.397 119.914 -0.219 0.000 3.006 243 V HA 0.199 4.303 4.120 -0.026 0.000 0.357 243 V C 0.018 176.137 176.094 0.041 0.000 1.377 243 V CA -0.291 61.938 62.300 -0.119 0.000 1.198 243 V CB 0.725 32.495 31.823 -0.087 0.000 1.216 243 V HN 0.162 nan 8.190 nan 0.000 0.520 244 E N 1.732 121.931 120.200 -0.001 0.000 1.932 244 E HA 0.133 4.467 4.350 -0.026 0.000 0.275 244 E C 0.771 177.444 176.600 0.123 0.000 1.159 244 E CA 0.057 56.543 56.400 0.142 0.000 0.905 244 E CB 0.735 30.456 29.700 0.036 0.000 1.059 244 E HN 0.588 nan 8.360 nan 0.000 0.400 245 E N 2.933 123.214 120.200 0.135 0.000 2.268 245 E HA -0.101 4.233 4.350 -0.026 0.000 0.195 245 E C 0.451 177.179 176.600 0.213 0.000 0.995 245 E CA 0.131 56.649 56.400 0.196 0.000 0.836 245 E CB -0.128 29.627 29.700 0.093 0.000 0.763 245 E HN 0.408 nan 8.360 nan 0.000 0.491 246 M N 0.922 120.607 119.600 0.141 0.000 4.198 246 M HA -0.150 4.315 4.480 -0.026 0.000 0.157 246 M C -2.133 174.253 176.300 0.142 0.000 1.509 246 M CA 0.325 55.716 55.300 0.151 0.000 1.105 246 M CB 0.206 32.952 32.600 0.244 0.000 1.326 246 M HN -0.049 nan 8.290 nan 0.000 0.190 247 D N 4.051 124.534 120.400 0.139 0.000 2.457 247 D HA 0.852 5.477 4.640 -0.026 0.000 0.240 247 D C -0.736 175.659 176.300 0.159 0.000 1.041 247 D CA 0.284 54.364 54.000 0.132 0.000 0.861 247 D CB 1.484 42.347 40.800 0.106 0.000 1.394 247 D HN 1.055 nan 8.370 nan 0.000 0.473 248 C N -0.136 119.265 119.300 0.168 0.000 3.173 248 C HA 0.727 5.171 4.460 -0.026 0.000 0.310 248 C C -0.832 174.252 174.990 0.156 0.000 1.306 248 C CA -1.086 58.047 59.018 0.192 0.000 1.426 248 C CB 0.342 28.252 27.740 0.283 0.000 1.800 248 C HN 0.609 nan 8.230 nan 0.000 0.470 249 L N 2.317 123.608 121.223 0.113 0.000 2.326 249 L HA 0.728 5.053 4.340 -0.026 0.000 0.278 249 L C -0.274 176.604 176.870 0.014 0.000 1.092 249 L CA 0.114 54.988 54.840 0.056 0.000 0.810 249 L CB 1.268 43.339 42.059 0.021 0.000 1.153 249 L HN 0.720 nan 8.230 nan 0.000 0.439 250 V N 6.874 126.771 119.914 -0.029 0.000 2.347 250 V HA 0.415 4.520 4.120 -0.026 0.000 0.280 250 V C 0.237 176.195 176.094 -0.226 0.000 1.021 250 V CA -0.423 61.730 62.300 -0.245 0.000 0.847 250 V CB 1.017 32.717 31.823 -0.205 0.000 0.990 250 V HN 0.601 nan 8.190 nan 0.000 0.444 251 I N 4.881 125.236 120.570 -0.359 0.000 2.392 251 I HA 0.473 4.628 4.170 -0.026 0.000 0.295 251 I C -0.892 174.978 176.117 -0.412 0.000 0.985 251 I CA -0.235 60.944 61.300 -0.200 0.000 1.221 251 I CB 1.551 39.495 38.000 -0.094 0.000 1.366 251 I HN 0.442 nan 8.210 nan 0.000 0.467 252 F N 3.563 123.503 119.950 -0.017 0.000 2.430 252 F HA 0.207 4.718 4.527 -0.026 0.000 0.362 252 F C 0.051 175.843 175.800 -0.013 0.000 1.103 252 F CA -0.756 57.233 58.000 -0.019 0.000 1.045 252 F CB 0.892 39.903 39.000 0.018 0.000 1.276 252 F HN 0.353 nan 8.300 nan 0.000 0.444 253 D N 3.653 124.110 120.400 0.095 0.000 2.524 253 D HA 0.146 4.771 4.640 -0.026 0.000 0.222 253 D C -0.457 175.857 176.300 0.024 0.000 1.142 253 D CA -0.175 53.863 54.000 0.063 0.000 0.973 253 D CB -0.160 40.694 40.800 0.091 0.000 1.025 253 D HN 0.442 nan 8.370 nan 0.000 0.519 254 D N 1.431 121.830 120.400 -0.001 0.000 2.735 254 D HA -0.160 4.465 4.640 -0.026 0.000 0.235 254 D C -0.534 175.740 176.300 -0.042 0.000 1.175 254 D CA 0.379 54.347 54.000 -0.054 0.000 0.683 254 D CB -0.811 39.945 40.800 -0.072 0.000 1.008 254 D HN 0.146 nan 8.370 nan 0.000 0.416 255 V N 0.790 120.701 119.914 -0.005 0.000 2.583 255 V HA 0.243 4.347 4.120 -0.026 0.000 0.287 255 V C 0.670 176.697 176.094 -0.112 0.000 1.051 255 V CA -0.764 61.529 62.300 -0.012 0.000 1.010 255 V CB 1.509 33.412 31.823 0.133 0.000 0.988 255 V HN 0.277 nan 8.190 nan 0.000 0.478 256 L N 7.017 128.164 121.223 -0.127 0.000 2.265 256 L HA 0.477 4.802 4.340 -0.026 0.000 0.288 256 L C -0.255 176.466 176.870 -0.248 0.000 1.058 256 L CA 0.403 55.125 54.840 -0.196 0.000 0.809 256 L CB 1.279 43.248 42.059 -0.149 0.000 1.179 256 L HN 0.427 nan 8.230 nan 0.000 0.429 257 V N 7.916 127.591 119.914 -0.399 0.000 2.328 257 V HA 0.405 4.510 4.120 -0.026 0.000 0.278 257 V C -2.048 173.774 176.094 -0.453 0.000 1.021 257 V CA -1.628 60.392 62.300 -0.468 0.000 0.838 257 V CB 1.080 32.410 31.823 -0.822 0.000 0.999 257 V HN 0.739 nan 8.190 nan 0.000 0.447 258 P HA 0.036 nan 4.420 nan 0.000 0.266 258 P C 0.306 177.487 177.300 -0.197 0.000 1.195 258 P CA 0.149 63.121 63.100 -0.213 0.000 0.768 258 P CB 0.491 32.141 31.700 -0.085 0.000 0.838 259 W N 1.924 123.192 121.300 -0.053 0.000 2.331 259 W HA -0.209 4.435 4.660 -0.026 0.000 0.291 259 W C 2.074 178.603 176.519 0.016 0.000 1.214 259 W CA 1.230 58.571 57.345 -0.006 0.000 1.228 259 W CB -0.407 29.085 29.460 0.054 0.000 1.135 259 W HN 0.513 nan 8.180 nan 0.000 0.537 260 E N 0.007 120.346 120.200 0.231 0.000 2.418 260 E HA -0.129 4.205 4.350 -0.026 0.000 0.197 260 E C 1.645 178.306 176.600 0.101 0.000 1.026 260 E CA 0.691 57.205 56.400 0.189 0.000 0.862 260 E CB -0.143 29.643 29.700 0.144 0.000 0.799 260 E HN 0.102 nan 8.360 nan 0.000 0.518 261 R N 0.867 121.322 120.500 -0.075 0.000 2.362 261 R HA 0.251 4.575 4.340 -0.026 0.000 0.227 261 R C -0.292 175.538 176.300 -0.784 0.000 0.905 261 R CA -0.076 55.820 56.100 -0.340 0.000 1.067 261 R CB 0.745 30.908 30.300 -0.228 0.000 1.078 261 R HN 0.044 nan 8.270 nan 0.000 0.516 262 V N 2.071 121.668 119.914 -0.528 0.000 2.432 262 V HA 0.163 4.268 4.120 -0.026 0.000 0.275 262 V C 0.616 176.254 176.094 -0.761 0.000 1.043 262 V CA -0.041 61.862 62.300 -0.662 0.000 0.925 262 V CB 0.973 32.514 31.823 -0.470 0.000 0.985 262 V HN 0.041 nan 8.190 nan 0.000 0.466 263 F N 3.823 123.526 119.950 -0.412 0.000 2.637 263 F HA 0.500 5.012 4.527 -0.026 0.000 0.284 263 F C 0.577 176.227 175.800 -0.251 0.000 1.105 263 F CA -0.318 57.451 58.000 -0.385 0.000 1.356 263 F CB 0.219 38.955 39.000 -0.441 0.000 1.096 263 F HN 0.200 nan 8.300 nan 0.000 0.616 264 I N 1.124 121.632 120.570 -0.102 0.000 2.656 264 I HA 0.384 4.538 4.170 -0.026 0.000 0.292 264 I C -1.807 174.297 176.117 -0.022 0.000 1.144 264 I CA -0.958 60.379 61.300 0.061 0.000 1.038 264 I CB 3.041 41.145 38.000 0.172 0.000 1.244 264 I HN -0.271 nan 8.210 nan 0.000 0.420 265 L N 5.428 126.715 121.223 0.107 0.000 2.441 265 L HA 0.697 5.022 4.340 -0.026 0.000 0.270 265 L C 0.488 177.452 176.870 0.157 0.000 0.973 265 L CA 0.252 55.172 54.840 0.133 0.000 0.842 265 L CB 1.674 43.872 42.059 0.232 0.000 1.239 265 L HN 0.808 nan 8.230 nan 0.000 0.406 266 G N 2.944 111.806 108.800 0.104 0.000 2.283 266 G HA2 -0.312 3.633 3.960 -0.026 0.000 0.280 266 G HA3 -0.312 3.633 3.960 -0.026 0.000 0.280 266 G C 0.036 174.983 174.900 0.077 0.000 1.029 266 G CA 0.595 45.742 45.100 0.078 0.000 0.840 266 G HN 0.789 nan 8.290 nan 0.000 0.505 267 N N -0.203 118.549 118.700 0.085 0.000 2.573 267 N HA 0.399 5.123 4.740 -0.026 0.000 0.262 267 N C 1.393 176.945 175.510 0.070 0.000 1.029 267 N CA -0.046 53.044 53.050 0.066 0.000 0.882 267 N CB 1.678 40.198 38.487 0.055 0.000 1.204 267 N HN -0.057 nan 8.380 nan 0.000 0.519 268 V N 2.912 122.867 119.914 0.068 0.000 2.255 268 V HA -0.202 3.903 4.120 -0.026 0.000 0.247 268 V C 2.268 178.409 176.094 0.078 0.000 1.051 268 V CA 1.908 64.257 62.300 0.081 0.000 1.018 268 V CB -0.408 31.461 31.823 0.075 0.000 0.641 268 V HN 0.693 nan 8.190 nan 0.000 0.445 269 E N -0.338 119.897 120.200 0.058 0.000 2.077 269 E HA -0.253 4.081 4.350 -0.026 0.000 0.193 269 E C 2.170 178.811 176.600 0.070 0.000 0.989 269 E CA 1.252 57.687 56.400 0.058 0.000 0.800 269 E CB -0.120 29.601 29.700 0.035 0.000 0.746 269 E HN 0.403 nan 8.360 nan 0.000 0.452 270 L N 0.489 121.731 121.223 0.032 0.000 2.083 270 L HA -0.189 4.136 4.340 -0.026 0.000 0.209 270 L C 2.293 179.233 176.870 0.118 0.000 1.083 270 L CA 1.441 56.284 54.840 0.005 0.000 0.752 270 L CB -0.561 41.432 42.059 -0.110 0.000 0.899 270 L HN 0.349 nan 8.230 nan 0.000 0.433 271 C N -0.532 118.832 119.300 0.107 0.000 2.453 271 C HA -0.107 4.337 4.460 -0.026 0.000 0.277 271 C C 2.547 177.625 174.990 0.147 0.000 1.262 271 C CA 0.778 59.873 59.018 0.129 0.000 1.718 271 C CB -1.168 26.656 27.740 0.141 0.000 2.031 271 C HN 0.605 nan 8.230 nan 0.000 0.480 272 N N 1.673 120.458 118.700 0.142 0.000 2.205 272 N HA -0.088 4.637 4.740 -0.026 0.000 0.186 272 N C 1.022 176.622 175.510 0.150 0.000 1.015 272 N CA 1.142 54.282 53.050 0.150 0.000 0.862 272 N CB -0.546 38.011 38.487 0.117 0.000 0.986 272 N HN 0.607 nan 8.380 nan 0.000 0.429 273 N N 0.174 118.955 118.700 0.135 0.000 2.236 273 N HA 0.181 4.905 4.740 -0.026 0.000 0.196 273 N C 1.270 176.750 175.510 -0.050 0.000 1.114 273 N CA 0.066 53.174 53.050 0.096 0.000 0.859 273 N CB 0.423 38.989 38.487 0.131 0.000 0.982 273 N HN 0.124 nan 8.380 nan 0.000 0.493 274 A N 0.761 123.531 122.820 -0.083 0.000 1.873 274 A HA -0.201 4.104 4.320 -0.026 0.000 0.218 274 A C 1.662 178.996 177.584 -0.417 0.000 1.193 274 A CA 1.346 53.117 52.037 -0.443 0.000 0.629 274 A CB -0.844 17.942 19.000 -0.357 0.000 0.826 274 A HN 0.249 nan 8.150 nan 0.000 0.447 275 Y N -0.310 120.020 120.300 0.051 0.000 2.200 275 Y HA -0.013 4.522 4.550 -0.024 0.000 0.290 275 Y C 2.928 178.847 175.900 0.032 0.000 1.137 275 Y CA 0.931 59.113 58.100 0.135 0.000 1.163 275 Y CB -0.631 37.935 38.460 0.176 0.000 0.988 275 Y HN 0.328 nan 8.280 nan 0.000 0.518 276 A N 0.003 122.900 122.820 0.128 0.000 1.872 276 A HA -0.034 4.271 4.320 -0.026 0.000 0.214 276 A C 2.425 179.994 177.584 -0.025 0.000 1.187 276 A CA 1.601 53.669 52.037 0.052 0.000 0.614 276 A CB -1.229 17.797 19.000 0.044 0.000 0.826 276 A HN 0.373 nan 8.150 nan 0.000 0.442 277 A N -0.221 122.509 122.820 -0.150 0.000 1.902 277 A HA -0.094 4.210 4.320 -0.026 0.000 0.217 277 A C 2.401 179.896 177.584 -0.149 0.000 1.181 277 A CA 2.489 54.418 52.037 -0.181 0.000 0.623 277 A CB -1.279 17.483 19.000 -0.395 0.000 0.818 277 A HN 0.755 nan 8.150 nan 0.000 0.443 278 T N -4.580 109.775 114.554 -0.331 0.000 3.023 278 T HA 0.357 4.691 4.350 -0.026 0.000 0.266 278 T C 1.518 176.259 174.700 0.068 0.000 1.093 278 T CA 1.272 63.263 62.100 -0.183 0.000 1.129 278 T CB -0.027 68.727 68.868 -0.190 0.000 0.899 278 T HN 1.721 nan 8.240 nan 0.000 0.491 279 G N 0.572 109.433 108.800 0.102 0.000 2.176 279 G HA2 -0.150 3.795 3.960 -0.026 0.000 0.232 279 G HA3 -0.150 3.795 3.960 -0.026 0.000 0.232 279 G C 1.141 176.197 174.900 0.259 0.000 0.986 279 G CA 0.303 45.506 45.100 0.171 0.000 0.643 279 G HN 1.008 nan 8.290 nan 0.000 0.522 280 A N -0.149 122.837 122.820 0.276 0.000 1.933 280 A HA 0.238 4.542 4.320 -0.026 0.000 0.218 280 A C 2.375 180.122 177.584 0.271 0.000 1.175 280 A CA 2.275 54.491 52.037 0.298 0.000 0.628 280 A CB -0.266 18.960 19.000 0.377 0.000 0.814 280 A HN 1.363 nan 8.150 nan 0.000 0.444 281 L N 1.069 122.459 121.223 0.279 0.000 1.989 281 L HA -0.230 4.095 4.340 -0.026 0.000 0.211 281 L C 2.000 178.944 176.870 0.122 0.000 1.071 281 L CA 2.485 57.443 54.840 0.197 0.000 0.749 281 L CB -0.951 41.191 42.059 0.138 0.000 0.890 281 L HN 0.476 nan 8.230 nan 0.000 0.431 282 N N -1.390 117.344 118.700 0.058 0.000 2.069 282 N HA -0.226 4.499 4.740 -0.026 0.000 0.191 282 N C 1.768 177.243 175.510 -0.057 0.000 1.031 282 N CA 1.703 54.721 53.050 -0.052 0.000 0.852 282 N CB -0.507 37.881 38.487 -0.165 0.000 1.018 282 N HN 0.568 nan 8.380 nan 0.000 0.423 283 H N 1.537 120.678 119.070 0.119 0.000 2.389 283 H HA -0.010 4.531 4.556 -0.025 0.000 0.299 283 H C 2.429 177.800 175.328 0.073 0.000 1.081 283 H CA 1.195 57.337 56.048 0.157 0.000 1.345 283 H CB -0.084 29.759 29.762 0.135 0.000 1.393 283 H HN 0.417 nan 8.280 nan 0.000 0.520 284 M N -0.419 119.230 119.600 0.082 0.000 2.175 284 M HA 0.078 4.543 4.480 -0.026 0.000 0.264 284 M C 2.414 178.753 176.300 0.066 0.000 1.063 284 M CA 1.703 56.910 55.300 -0.155 0.000 1.119 284 M CB -0.364 31.963 32.600 -0.454 0.000 1.377 284 M HN 0.061 nan 8.290 nan 0.000 0.415 285 A N -0.016 122.945 122.820 0.236 0.000 2.066 285 A HA -0.157 4.148 4.320 -0.026 0.000 0.218 285 A C 2.105 179.774 177.584 0.142 0.000 1.157 285 A CA 1.485 53.712 52.037 0.317 0.000 0.670 285 A CB -1.397 17.737 19.000 0.223 0.000 0.804 285 A HN 0.808 nan 8.150 nan 0.000 0.453 286 H N -1.296 117.753 119.070 -0.035 0.000 2.357 286 H HA -0.118 4.422 4.556 -0.027 0.000 0.301 286 H C 2.289 177.422 175.328 -0.325 0.000 1.082 286 H CA 1.234 57.238 56.048 -0.073 0.000 1.342 286 H CB 0.077 29.901 29.762 0.104 0.000 1.389 286 H HN 0.502 nan 8.280 nan 0.000 0.511 287 Q N 1.023 120.436 119.800 -0.645 0.000 2.124 287 Q HA -0.103 4.221 4.340 -0.026 0.000 0.202 287 Q C 2.417 178.068 176.000 -0.581 0.000 0.977 287 Q CA 1.382 56.417 55.803 -1.280 0.000 0.850 287 Q CB -0.139 27.880 28.738 -1.200 0.000 0.901 287 Q HN 0.422 nan 8.270 nan 0.000 0.429 288 V N 0.414 120.169 119.914 -0.264 0.000 2.343 288 V HA -0.202 3.903 4.120 -0.026 0.000 0.247 288 V C 2.472 178.434 176.094 -0.219 0.000 1.051 288 V CA 1.577 63.777 62.300 -0.167 0.000 1.036 288 V CB -0.694 31.195 31.823 0.110 0.000 0.654 288 V HN 0.240 nan 8.190 nan 0.000 0.451 289 V N 0.085 119.875 119.914 -0.207 0.000 2.427 289 V HA -0.201 3.904 4.120 -0.026 0.000 0.248 289 V C 2.545 178.357 176.094 -0.471 0.000 1.051 289 V CA 2.119 64.278 62.300 -0.235 0.000 1.048 289 V CB -0.311 31.456 31.823 -0.092 0.000 0.666 289 V HN 0.518 nan 8.190 nan 0.000 0.456 290 A N -0.309 122.032 122.820 -0.799 0.000 1.898 290 A HA -0.147 4.157 4.320 -0.026 0.000 0.216 290 A C 2.103 179.394 177.584 -0.488 0.000 1.181 290 A CA 1.953 53.321 52.037 -1.116 0.000 0.620 290 A CB -0.668 17.694 19.000 -1.065 0.000 0.819 290 A HN 0.568 nan 8.150 nan 0.000 0.442 291 L N -0.384 120.611 121.223 -0.379 0.000 2.017 291 L HA -0.132 4.192 4.340 -0.026 0.000 0.208 291 L C 1.929 178.668 176.870 -0.218 0.000 1.073 291 L CA 2.134 56.821 54.840 -0.256 0.000 0.745 291 L CB -0.381 41.506 42.059 -0.287 0.000 0.894 291 L HN 0.135 nan 8.230 nan 0.000 0.432 292 K N -0.901 119.315 120.400 -0.307 0.000 2.288 292 K HA 0.011 4.315 4.320 -0.026 0.000 0.201 292 K C 2.005 178.467 176.600 -0.229 0.000 1.048 292 K CA 1.370 57.396 56.287 -0.435 0.000 0.956 292 K CB -0.890 31.032 32.500 -0.963 0.000 0.746 292 K HN 0.387 nan 8.250 nan 0.000 0.461 293 T N 1.401 115.890 114.554 -0.109 0.000 2.777 293 T HA -0.068 4.266 4.350 -0.026 0.000 0.266 293 T C 1.977 176.752 174.700 0.125 0.000 1.040 293 T CA 1.421 63.576 62.100 0.093 0.000 1.141 293 T CB -0.161 68.863 68.868 0.260 0.000 0.868 293 T HN 0.307 nan 8.240 nan 0.000 0.444 294 A N 1.520 124.382 122.820 0.071 0.000 1.902 294 A HA -0.108 4.196 4.320 -0.026 0.000 0.217 294 A C 2.224 179.880 177.584 0.120 0.000 1.181 294 A CA 1.874 53.965 52.037 0.090 0.000 0.623 294 A CB -0.506 18.518 19.000 0.040 0.000 0.818 294 A HN 0.450 nan 8.150 nan 0.000 0.443 295 K N -0.935 119.539 120.400 0.124 0.000 2.026 295 K HA -0.125 4.180 4.320 -0.026 0.000 0.208 295 K C 2.008 178.868 176.600 0.433 0.000 1.048 295 K CA 1.837 58.283 56.287 0.266 0.000 0.929 295 K CB -0.289 32.375 32.500 0.274 0.000 0.713 295 K HN 0.468 nan 8.250 nan 0.000 0.439 296 T N 1.088 115.861 114.554 0.365 0.000 2.788 296 T HA -0.111 4.223 4.350 -0.026 0.000 0.268 296 T C 1.370 176.260 174.700 0.317 0.000 1.044 296 T CA 1.388 63.725 62.100 0.396 0.000 1.139 296 T CB -0.141 68.947 68.868 0.366 0.000 0.867 296 T HN 0.380 nan 8.240 nan 0.000 0.454 297 E N 1.101 121.441 120.200 0.234 0.000 2.110 297 E HA -0.069 4.266 4.350 -0.026 0.000 0.193 297 E C 2.577 179.265 176.600 0.146 0.000 0.988 297 E CA 0.972 57.474 56.400 0.171 0.000 0.804 297 E CB -0.211 29.572 29.700 0.138 0.000 0.745 297 E HN 0.502 nan 8.360 nan 0.000 0.458 298 A N 0.760 123.669 122.820 0.150 0.000 1.873 298 A HA -0.156 4.148 4.320 -0.026 0.000 0.215 298 A C 1.894 179.485 177.584 0.011 0.000 1.186 298 A CA 1.063 53.130 52.037 0.050 0.000 0.616 298 A CB -0.744 18.259 19.000 0.005 0.000 0.823 298 A HN 0.170 nan 8.150 nan 0.000 0.442 299 F N -0.646 119.350 119.950 0.077 0.000 2.171 299 F HA -0.142 4.374 4.527 -0.017 0.000 0.300 299 F C 2.076 177.895 175.800 0.033 0.000 1.090 299 F CA 1.465 59.496 58.000 0.053 0.000 1.293 299 F CB -0.302 38.740 39.000 0.069 0.000 1.013 299 F HN 0.283 nan 8.300 nan 0.000 0.486 300 L N 0.299 121.656 121.223 0.223 0.000 2.017 300 L HA -0.031 4.294 4.340 -0.026 0.000 0.208 300 L C 2.408 179.318 176.870 0.066 0.000 1.073 300 L CA 2.239 57.156 54.840 0.129 0.000 0.745 300 L CB -1.515 40.614 42.059 0.117 0.000 0.894 300 L HN 0.102 nan 8.230 nan 0.000 0.432 301 G N -0.991 107.837 108.800 0.047 0.000 2.418 301 G HA2 -0.197 3.747 3.960 -0.026 0.000 0.217 301 G HA3 -0.197 3.747 3.960 -0.026 0.000 0.217 301 G C 1.510 176.394 174.900 -0.025 0.000 1.158 301 G CA 1.137 46.242 45.100 0.009 0.000 0.771 301 G HN 0.347 nan 8.290 nan 0.000 0.545 302 V N 1.501 121.381 119.914 -0.057 0.000 2.358 302 V HA -0.088 4.017 4.120 -0.026 0.000 0.246 302 V C 3.322 179.361 176.094 -0.091 0.000 1.047 302 V CA 1.921 64.155 62.300 -0.110 0.000 1.035 302 V CB -0.844 30.867 31.823 -0.186 0.000 0.658 302 V HN 0.476 nan 8.190 nan 0.000 0.452 303 A N 0.156 122.960 122.820 -0.027 0.000 1.908 303 A HA -0.159 4.146 4.320 -0.026 0.000 0.218 303 A C 2.431 180.005 177.584 -0.016 0.000 1.181 303 A CA 2.270 54.303 52.037 -0.007 0.000 0.627 303 A CB -0.827 18.203 19.000 0.049 0.000 0.818 303 A HN 0.570 nan 8.150 nan 0.000 0.445 304 A N -0.393 122.423 122.820 -0.006 0.000 1.877 304 A HA -0.021 4.284 4.320 -0.026 0.000 0.216 304 A C 2.179 179.756 177.584 -0.012 0.000 1.186 304 A CA 1.478 53.513 52.037 -0.004 0.000 0.620 304 A CB -0.597 18.405 19.000 0.003 0.000 0.822 304 A HN 0.469 nan 8.150 nan 0.000 0.443 305 L N -1.144 120.061 121.223 -0.029 0.000 2.093 305 L HA -0.198 4.127 4.340 -0.026 0.000 0.208 305 L C 2.850 179.698 176.870 -0.036 0.000 1.085 305 L CA 1.346 56.169 54.840 -0.030 0.000 0.755 305 L CB -0.477 41.554 42.059 -0.046 0.000 0.904 305 L HN 0.448 nan 8.230 nan 0.000 0.435 306 M N -0.696 118.845 119.600 -0.098 0.000 2.099 306 M HA -0.174 4.291 4.480 -0.026 0.000 0.262 306 M C 2.582 178.906 176.300 0.039 0.000 1.067 306 M CA 1.907 57.126 55.300 -0.135 0.000 1.124 306 M CB -0.547 31.877 32.600 -0.294 0.000 1.353 306 M HN 0.291 nan 8.290 nan 0.000 0.410 307 A N 0.445 123.281 122.820 0.027 0.000 1.883 307 A HA -0.197 4.108 4.320 -0.026 0.000 0.217 307 A C 1.948 179.569 177.584 0.062 0.000 1.186 307 A CA 1.929 54.000 52.037 0.057 0.000 0.624 307 A CB -0.773 18.243 19.000 0.028 0.000 0.822 307 A HN 0.542 nan 8.150 nan 0.000 0.444 308 E N -0.837 119.387 120.200 0.040 0.000 2.072 308 E HA -0.095 4.240 4.350 -0.026 0.000 0.191 308 E C 2.169 178.807 176.600 0.063 0.000 0.985 308 E CA 0.693 57.115 56.400 0.037 0.000 0.801 308 E CB -0.403 29.310 29.700 0.022 0.000 0.750 308 E HN 0.612 nan 8.360 nan 0.000 0.452 309 G N 1.945 110.797 108.800 0.087 0.000 2.469 309 G HA2 -0.248 3.697 3.960 -0.026 0.000 0.220 309 G HA3 -0.248 3.697 3.960 -0.026 0.000 0.220 309 G C 1.587 176.579 174.900 0.152 0.000 1.136 309 G CA 1.164 46.342 45.100 0.131 0.000 0.759 309 G HN 0.410 nan 8.290 nan 0.000 0.562 310 I N -3.191 117.484 120.570 0.176 0.000 3.941 310 I HA 0.537 4.692 4.170 -0.026 0.000 0.335 310 I C 1.388 177.580 176.117 0.125 0.000 1.402 310 I CA 0.279 61.672 61.300 0.155 0.000 1.112 310 I CB 0.177 38.295 38.000 0.197 0.000 1.043 310 I HN 0.189 nan 8.210 nan 0.000 0.395 311 G N 1.763 110.622 108.800 0.098 0.000 2.153 311 G HA2 -0.342 3.603 3.960 -0.026 0.000 0.252 311 G HA3 -0.342 3.603 3.960 -0.026 0.000 0.252 311 G C 0.927 175.882 174.900 0.091 0.000 0.994 311 G CA 0.430 45.571 45.100 0.068 0.000 0.698 311 G HN 0.748 nan 8.290 nan 0.000 0.521 312 A N 0.568 123.473 122.820 0.140 0.000 2.169 312 A HA 0.259 4.563 4.320 -0.026 0.000 0.212 312 A C 2.041 179.699 177.584 0.123 0.000 1.153 312 A CA 1.618 53.795 52.037 0.232 0.000 0.756 312 A CB -0.180 18.939 19.000 0.198 0.000 0.813 312 A HN 0.721 nan 8.150 nan 0.000 0.471 313 D N 0.655 121.070 120.400 0.025 0.000 2.350 313 D HA -0.130 4.495 4.640 -0.026 0.000 0.216 313 D C 1.522 177.765 176.300 -0.095 0.000 0.968 313 D CA 1.503 55.488 54.000 -0.025 0.000 0.894 313 D CB -0.813 39.977 40.800 -0.017 0.000 0.909 313 D HN 0.494 nan 8.370 nan 0.000 0.520 314 V N -2.705 117.085 119.914 -0.208 0.000 3.217 314 V HA 0.075 4.180 4.120 -0.026 0.000 0.264 314 V C 0.315 176.151 176.094 -0.429 0.000 1.135 314 V CA -0.078 62.021 62.300 -0.335 0.000 1.142 314 V CB -1.506 30.051 31.823 -0.443 0.000 0.754 314 V HN -0.129 nan 8.190 nan 0.000 0.484 315 Y N 1.853 122.111 120.300 -0.070 0.000 2.336 315 Y HA 0.684 5.219 4.550 -0.026 0.000 0.335 315 Y C 1.779 177.600 175.900 -0.131 0.000 1.046 315 Y CA 0.071 58.114 58.100 -0.095 0.000 1.198 315 Y CB 1.168 39.533 38.460 -0.159 0.000 1.182 315 Y HN 0.080 nan 8.280 nan 0.000 0.502 316 G N 2.038 110.893 108.800 0.090 0.000 2.476 316 G HA2 -0.382 3.562 3.960 -0.026 0.000 0.218 316 G HA3 -0.382 3.562 3.960 -0.026 0.000 0.218 316 G C 1.369 176.300 174.900 0.052 0.000 1.164 316 G CA 1.675 46.810 45.100 0.059 0.000 0.768 316 G HN 0.987 nan 8.290 nan 0.000 0.560 317 H N -0.505 118.620 119.070 0.091 0.000 2.456 317 H HA 0.128 4.668 4.556 -0.026 0.000 0.296 317 H C 2.168 177.531 175.328 0.059 0.000 1.079 317 H CA 1.131 57.214 56.048 0.058 0.000 1.322 317 H CB -0.417 29.371 29.762 0.043 0.000 1.388 317 H HN 0.172 nan 8.280 nan 0.000 0.538 318 V N 1.061 120.705 119.914 -0.451 0.000 2.379 318 V HA -0.213 3.891 4.120 -0.026 0.000 0.245 318 V C 2.411 178.462 176.094 -0.073 0.000 1.044 318 V CA 2.015 64.175 62.300 -0.234 0.000 1.036 318 V CB -0.534 31.163 31.823 -0.209 0.000 0.664 318 V HN 0.499 nan 8.190 nan 0.000 0.453 319 Q N -0.128 119.636 119.800 -0.059 0.000 2.084 319 Q HA -0.250 4.075 4.340 -0.026 0.000 0.202 319 Q C 2.240 178.230 176.000 -0.017 0.000 0.978 319 Q CA 1.854 57.640 55.803 -0.029 0.000 0.844 319 Q CB -0.196 28.527 28.738 -0.024 0.000 0.898 319 Q HN 0.700 nan 8.270 nan 0.000 0.426 320 E N 0.902 121.101 120.200 -0.001 0.000 2.110 320 E HA -0.170 4.165 4.350 -0.026 0.000 0.193 320 E C 1.886 178.480 176.600 -0.009 0.000 0.988 320 E CA 0.926 57.328 56.400 0.003 0.000 0.804 320 E CB 0.047 29.768 29.700 0.035 0.000 0.745 320 E HN 0.229 nan 8.360 nan 0.000 0.458 321 K N 0.466 120.874 120.400 0.013 0.000 2.057 321 K HA -0.100 4.205 4.320 -0.026 0.000 0.207 321 K C 2.104 178.693 176.600 -0.019 0.000 1.049 321 K CA 1.003 57.297 56.287 0.010 0.000 0.931 321 K CB -0.058 32.472 32.500 0.050 0.000 0.714 321 K HN 0.127 nan 8.250 nan 0.000 0.440 322 I N 0.797 121.358 120.570 -0.014 0.000 2.315 322 I HA -0.227 3.927 4.170 -0.026 0.000 0.248 322 I C 2.405 178.497 176.117 -0.042 0.000 1.117 322 I CA 0.843 62.135 61.300 -0.014 0.000 1.404 322 I CB -0.302 37.695 38.000 -0.005 0.000 1.071 322 I HN 0.134 nan 8.210 nan 0.000 0.419 323 A N 0.162 122.950 122.820 -0.053 0.000 1.972 323 A HA -0.243 4.061 4.320 -0.026 0.000 0.219 323 A C 2.283 179.775 177.584 -0.152 0.000 1.169 323 A CA 1.660 53.652 52.037 -0.075 0.000 0.635 323 A CB -0.541 18.425 19.000 -0.057 0.000 0.810 323 A HN 0.470 nan 8.150 nan 0.000 0.446 324 E N -0.161 119.920 120.200 -0.199 0.000 2.077 324 E HA -0.151 4.184 4.350 -0.026 0.000 0.193 324 E C 1.806 178.021 176.600 -0.643 0.000 0.989 324 E CA 1.155 57.296 56.400 -0.431 0.000 0.800 324 E CB -0.191 29.320 29.700 -0.315 0.000 0.746 324 E HN 0.694 nan 8.360 nan 0.000 0.452 325 I N 0.757 121.162 120.570 -0.275 0.000 2.286 325 I HA -0.274 3.881 4.170 -0.026 0.000 0.248 325 I C 2.265 178.351 176.117 -0.052 0.000 1.115 325 I CA 0.847 62.091 61.300 -0.094 0.000 1.392 325 I CB -0.189 37.836 38.000 0.041 0.000 1.065 325 I HN 0.200 nan 8.210 nan 0.000 0.418 326 I N -0.002 120.525 120.570 -0.073 0.000 2.226 326 I HA -0.252 3.902 4.170 -0.026 0.000 0.245 326 I C 2.517 178.615 176.117 -0.031 0.000 1.100 326 I CA 1.126 62.413 61.300 -0.021 0.000 1.374 326 I CB -0.308 37.676 38.000 -0.026 0.000 1.057 326 I HN 0.015 nan 8.210 nan 0.000 0.413 327 V N 0.292 120.123 119.914 -0.138 0.000 2.343 327 V HA -0.300 3.804 4.120 -0.026 0.000 0.247 327 V C 2.312 178.442 176.094 0.060 0.000 1.051 327 V CA 1.894 64.134 62.300 -0.100 0.000 1.036 327 V CB -0.791 30.905 31.823 -0.213 0.000 0.654 327 V HN 0.304 nan 8.190 nan 0.000 0.451 328 Y N -0.586 119.757 120.300 0.071 0.000 2.242 328 Y HA -0.125 4.403 4.550 -0.036 0.000 0.291 328 Y C 2.148 178.146 175.900 0.164 0.000 1.137 328 Y CA 0.721 58.891 58.100 0.117 0.000 1.181 328 Y CB -1.071 37.454 38.460 0.108 0.000 0.989 328 Y HN 0.219 nan 8.280 nan 0.000 0.527 329 L N 0.531 121.923 121.223 0.282 0.000 2.017 329 L HA -0.151 4.174 4.340 -0.026 0.000 0.208 329 L C 2.089 179.072 176.870 0.190 0.000 1.073 329 L CA 1.922 56.903 54.840 0.234 0.000 0.745 329 L CB -0.675 41.488 42.059 0.174 0.000 0.894 329 L HN 0.044 nan 8.230 nan 0.000 0.432 330 E N 0.093 120.372 120.200 0.131 0.000 2.110 330 E HA -0.162 4.172 4.350 -0.026 0.000 0.193 330 E C 2.203 178.847 176.600 0.073 0.000 0.988 330 E CA 1.233 57.684 56.400 0.085 0.000 0.804 330 E CB -0.449 29.276 29.700 0.041 0.000 0.745 330 E HN 0.652 nan 8.360 nan 0.000 0.458 331 A N 1.215 124.094 122.820 0.098 0.000 1.902 331 A HA -0.172 4.132 4.320 -0.026 0.000 0.217 331 A C 2.170 179.796 177.584 0.070 0.000 1.181 331 A CA 1.496 53.537 52.037 0.007 0.000 0.623 331 A CB -0.308 18.757 19.000 0.108 0.000 0.818 331 A HN 0.113 nan 8.150 nan 0.000 0.443 332 M N -0.668 119.095 119.600 0.272 0.000 2.175 332 M HA -0.046 4.418 4.480 -0.026 0.000 0.264 332 M C 2.132 178.657 176.300 0.374 0.000 1.063 332 M CA 1.301 56.830 55.300 0.381 0.000 1.119 332 M CB -1.257 31.519 32.600 0.292 0.000 1.377 332 M HN 0.400 nan 8.290 nan 0.000 0.415 333 R N -0.043 120.630 120.500 0.288 0.000 2.096 333 R HA -0.054 4.271 4.340 -0.026 0.000 0.235 333 R C 2.332 178.749 176.300 0.195 0.000 1.127 333 R CA 1.444 57.709 56.100 0.276 0.000 0.968 333 R CB -0.455 29.930 30.300 0.141 0.000 0.861 333 R HN 0.394 nan 8.270 nan 0.000 0.440 334 A N 0.645 123.520 122.820 0.091 0.000 1.877 334 A HA -0.151 4.154 4.320 -0.026 0.000 0.216 334 A C 1.839 179.476 177.584 0.090 0.000 1.186 334 A CA 1.171 53.209 52.037 0.002 0.000 0.620 334 A CB -0.581 18.332 19.000 -0.145 0.000 0.822 334 A HN 0.176 nan 8.150 nan 0.000 0.443 335 F N -1.552 118.494 119.950 0.161 0.000 2.126 335 F HA -0.175 4.333 4.527 -0.031 0.000 0.299 335 F C 2.097 178.038 175.800 0.235 0.000 1.096 335 F CA 0.876 58.970 58.000 0.157 0.000 1.255 335 F CB -0.782 38.300 39.000 0.137 0.000 0.997 335 F HN 0.556 nan 8.300 nan 0.000 0.479 336 W N 1.443 122.902 121.300 0.266 0.000 2.333 336 W HA -0.206 4.438 4.660 -0.027 0.000 0.316 336 W C 2.393 178.999 176.519 0.145 0.000 1.215 336 W CA 2.434 59.900 57.345 0.203 0.000 1.278 336 W CB -1.178 28.395 29.460 0.188 0.000 1.154 336 W HN -0.066 nan 8.180 nan 0.000 0.486 337 T N 0.591 115.275 114.554 0.217 0.000 2.684 337 T HA -0.249 4.086 4.350 -0.026 0.000 0.267 337 T C 1.983 176.737 174.700 0.092 0.000 1.036 337 T CA 2.159 64.283 62.100 0.041 0.000 1.148 337 T CB -0.395 68.457 68.868 -0.025 0.000 0.863 337 T HN 0.156 nan 8.240 nan 0.000 0.436 338 R N 0.752 121.327 120.500 0.124 0.000 2.120 338 R HA 0.005 4.329 4.340 -0.026 0.000 0.234 338 R C 2.559 178.923 176.300 0.106 0.000 1.123 338 R CA 1.207 57.370 56.100 0.106 0.000 0.975 338 R CB -0.393 29.980 30.300 0.122 0.000 0.866 338 R HN 0.370 nan 8.270 nan 0.000 0.446 339 A N 0.941 123.850 122.820 0.148 0.000 1.908 339 A HA -0.197 4.108 4.320 -0.026 0.000 0.218 339 A C 1.841 179.422 177.584 -0.004 0.000 1.181 339 A CA 1.689 53.769 52.037 0.071 0.000 0.627 339 A CB -0.338 18.712 19.000 0.083 0.000 0.818 339 A HN 0.512 nan 8.150 nan 0.000 0.445 340 E N -0.703 119.521 120.200 0.040 0.000 2.076 340 E HA -0.108 4.227 4.350 -0.026 0.000 0.190 340 E C 1.907 178.516 176.600 0.016 0.000 0.979 340 E CA 0.822 57.228 56.400 0.011 0.000 0.807 340 E CB -0.111 29.644 29.700 0.090 0.000 0.761 340 E HN 0.486 nan 8.360 nan 0.000 0.454 341 E N 0.874 121.090 120.200 0.026 0.000 2.204 341 E HA -0.125 4.209 4.350 -0.026 0.000 0.194 341 E C 1.230 177.839 176.600 0.014 0.000 0.989 341 E CA 0.811 57.221 56.400 0.017 0.000 0.824 341 E CB 0.089 29.798 29.700 0.016 0.000 0.756 341 E HN 0.202 nan 8.360 nan 0.000 0.477 342 E N 0.146 120.357 120.200 0.017 0.000 2.451 342 E HA 0.217 4.551 4.350 -0.026 0.000 0.194 342 E C 0.037 176.637 176.600 0.000 0.000 1.027 342 E CA -0.247 56.161 56.400 0.013 0.000 0.914 342 E CB 0.325 30.040 29.700 0.025 0.000 1.054 342 E HN 0.059 nan 8.360 nan 0.000 0.461 343 A N 1.653 124.468 122.820 -0.008 0.000 2.498 343 A HA 0.236 4.540 4.320 -0.026 0.000 0.239 343 A C 0.414 177.994 177.584 -0.006 0.000 1.068 343 A CA 0.314 52.340 52.037 -0.019 0.000 0.766 343 A CB 0.446 19.432 19.000 -0.022 0.000 1.003 343 A HN -0.121 nan 8.150 nan 0.000 0.497 344 K N 1.356 121.752 120.400 -0.008 0.000 2.509 344 K HA 0.367 4.672 4.320 -0.026 0.000 0.266 344 K C -0.820 175.785 176.600 0.009 0.000 0.987 344 K CA -0.604 55.682 56.287 -0.001 0.000 0.868 344 K CB 1.494 33.989 32.500 -0.009 0.000 1.421 344 K HN 0.832 nan 8.250 nan 0.000 0.444 345 E N 1.628 121.836 120.200 0.012 0.000 2.331 345 E HA 0.062 4.397 4.350 -0.026 0.000 0.272 345 E C 0.259 176.867 176.600 0.014 0.000 1.036 345 E CA -0.461 55.955 56.400 0.025 0.000 0.864 345 E CB 0.704 30.418 29.700 0.023 0.000 1.035 345 E HN 0.481 nan 8.360 nan 0.000 0.408 346 N N 1.075 119.796 118.700 0.034 0.000 2.431 346 N HA 0.116 4.840 4.740 -0.026 0.000 0.289 346 N C 0.640 176.127 175.510 -0.039 0.000 1.277 346 N CA -0.024 53.035 53.050 0.014 0.000 0.972 346 N CB 0.025 38.552 38.487 0.067 0.000 1.143 346 N HN 0.403 nan 8.380 nan 0.000 0.578 347 A N -1.353 121.387 122.820 -0.133 0.000 2.076 347 A HA -0.130 4.175 4.320 -0.026 0.000 0.220 347 A C 0.987 178.305 177.584 -0.444 0.000 1.160 347 A CA 1.125 52.967 52.037 -0.325 0.000 0.653 347 A CB -1.093 17.615 19.000 -0.486 0.000 0.801 347 A HN 0.652 nan 8.150 nan 0.000 0.455 348 Y N -1.156 119.149 120.300 0.009 0.000 2.468 348 Y HA 0.385 4.919 4.550 -0.026 0.000 0.268 348 Y C 1.769 177.678 175.900 0.016 0.000 1.177 348 Y CA 0.020 58.129 58.100 0.016 0.000 1.265 348 Y CB -0.050 38.422 38.460 0.021 0.000 1.103 348 Y HN 0.402 nan 8.280 nan 0.000 0.522 349 G N 0.566 109.417 108.800 0.085 0.000 2.159 349 G HA2 -0.305 3.640 3.960 -0.026 0.000 0.256 349 G HA3 -0.305 3.640 3.960 -0.026 0.000 0.256 349 G C -0.177 174.772 174.900 0.080 0.000 0.977 349 G CA 0.092 45.231 45.100 0.065 0.000 0.652 349 G HN 0.256 nan 8.290 nan 0.000 0.531 350 L N 1.152 122.444 121.223 0.115 0.000 2.290 350 L HA 0.771 5.096 4.340 -0.026 0.000 0.284 350 L C 0.487 177.432 176.870 0.125 0.000 1.078 350 L CA -1.130 53.780 54.840 0.117 0.000 0.815 350 L CB 0.993 43.138 42.059 0.143 0.000 1.162 350 L HN 0.239 nan 8.230 nan 0.000 0.435 351 L N 7.283 128.578 121.223 0.120 0.000 2.477 351 L HA 0.415 4.739 4.340 -0.026 0.000 0.272 351 L C -0.453 176.521 176.870 0.173 0.000 1.157 351 L CA 0.327 55.233 54.840 0.111 0.000 0.889 351 L CB 0.605 42.719 42.059 0.091 0.000 1.158 351 L HN 0.540 nan 8.230 nan 0.000 0.473 352 V N 4.595 124.542 119.914 0.055 0.000 2.656 352 V HA 0.744 4.849 4.120 -0.026 0.000 0.307 352 V C -2.526 173.471 176.094 -0.161 0.000 1.051 352 V CA -1.950 60.286 62.300 -0.106 0.000 0.893 352 V CB 1.452 33.233 31.823 -0.071 0.000 0.999 352 V HN 0.736 nan 8.190 nan 0.000 0.426 353 P HA 0.106 nan 4.420 nan 0.000 0.269 353 P C -0.443 176.779 177.300 -0.131 0.000 1.215 353 P CA 0.151 63.120 63.100 -0.219 0.000 0.780 353 P CB 0.610 32.083 31.700 -0.378 0.000 0.898 354 D N 1.059 121.418 120.400 -0.069 0.000 2.520 354 D HA -0.086 4.539 4.640 -0.026 0.000 0.243 354 D C 1.588 177.872 176.300 -0.026 0.000 1.160 354 D CA 0.274 54.258 54.000 -0.027 0.000 0.877 354 D CB 0.407 41.215 40.800 0.013 0.000 1.150 354 D HN 0.251 nan 8.370 nan 0.000 0.494 355 R N 2.851 123.335 120.500 -0.027 0.000 2.115 355 R HA -0.065 4.259 4.340 -0.026 0.000 0.230 355 R C 2.046 178.339 176.300 -0.012 0.000 1.111 355 R CA 1.385 57.466 56.100 -0.032 0.000 0.976 355 R CB -0.285 29.998 30.300 -0.029 0.000 0.870 355 R HN 0.621 nan 8.270 nan 0.000 0.445 356 G N 0.197 109.021 108.800 0.040 0.000 2.459 356 G HA2 -0.318 3.627 3.960 -0.026 0.000 0.217 356 G HA3 -0.318 3.627 3.960 -0.026 0.000 0.217 356 G C 1.504 176.441 174.900 0.062 0.000 1.183 356 G CA 0.856 46.020 45.100 0.106 0.000 0.776 356 G HN 0.472 nan 8.290 nan 0.000 0.552 357 A N 0.348 123.221 122.820 0.088 0.000 1.902 357 A HA 0.133 4.438 4.320 -0.026 0.000 0.217 357 A C 2.452 179.983 177.584 -0.090 0.000 1.181 357 A CA 1.298 53.429 52.037 0.157 0.000 0.623 357 A CB -0.363 18.778 19.000 0.235 0.000 0.818 357 A HN 0.360 nan 8.150 nan 0.000 0.443 358 L N -0.800 120.369 121.223 -0.090 0.000 2.156 358 L HA -0.122 4.203 4.340 -0.026 0.000 0.208 358 L C 1.886 178.594 176.870 -0.269 0.000 1.095 358 L CA 1.073 55.819 54.840 -0.157 0.000 0.770 358 L CB -0.530 41.484 42.059 -0.074 0.000 0.914 358 L HN 0.247 nan 8.230 nan 0.000 0.439 359 D N 0.192 120.446 120.400 -0.242 0.000 2.178 359 D HA -0.109 4.516 4.640 -0.026 0.000 0.202 359 D C 2.122 178.192 176.300 -0.383 0.000 0.974 359 D CA 1.330 55.156 54.000 -0.290 0.000 0.841 359 D CB -0.142 40.537 40.800 -0.203 0.000 0.953 359 D HN 0.293 nan 8.370 nan 0.000 0.478 360 G N 0.692 109.221 108.800 -0.452 0.000 2.404 360 G HA2 -0.169 3.775 3.960 -0.026 0.000 0.215 360 G HA3 -0.169 3.775 3.960 -0.026 0.000 0.215 360 G C 1.711 175.997 174.900 -1.024 0.000 1.174 360 G CA 1.186 45.915 45.100 -0.618 0.000 0.780 360 G HN 0.376 nan 8.290 nan 0.000 0.537 361 A N 1.666 123.621 122.820 -1.443 0.000 1.877 361 A HA -0.079 4.226 4.320 -0.026 0.000 0.216 361 A C 2.377 179.789 177.584 -0.287 0.000 1.186 361 A CA 2.016 53.514 52.037 -0.900 0.000 0.620 361 A CB -0.439 18.249 19.000 -0.520 0.000 0.822 361 A HN 0.493 nan 8.150 nan 0.000 0.443 362 R N -0.561 119.789 120.500 -0.249 0.000 2.235 362 R HA 0.054 4.378 4.340 -0.026 0.000 0.213 362 R C 0.910 177.124 176.300 -0.142 0.000 1.059 362 R CA 1.616 57.648 56.100 -0.113 0.000 0.997 362 R CB -0.534 29.646 30.300 -0.200 0.000 0.884 362 R HN 0.559 nan 8.270 nan 0.000 0.462 363 N N -0.126 118.456 118.700 -0.196 0.000 2.356 363 N HA 0.031 4.755 4.740 -0.026 0.000 0.178 363 N C 1.148 176.676 175.510 0.031 0.000 1.075 363 N CA -0.076 52.911 53.050 -0.105 0.000 0.889 363 N CB 0.380 38.652 38.487 -0.358 0.000 0.999 363 N HN 0.062 nan 8.380 nan 0.000 0.464 364 L N -0.725 120.490 121.223 -0.013 0.000 2.221 364 L HA 0.179 4.504 4.340 -0.026 0.000 0.202 364 L C 1.632 178.537 176.870 0.058 0.000 1.074 364 L CA 1.150 56.027 54.840 0.061 0.000 0.795 364 L CB -0.528 41.618 42.059 0.145 0.000 0.960 364 L HN 0.096 nan 8.230 nan 0.000 0.458 365 Y N 1.350 121.639 120.300 -0.018 0.000 2.207 365 Y HA -0.120 4.422 4.550 -0.014 0.000 0.287 365 Y C -0.702 175.189 175.900 -0.016 0.000 1.156 365 Y CA 1.618 59.719 58.100 0.002 0.000 1.182 365 Y CB -1.414 37.078 38.460 0.052 0.000 0.979 365 Y HN 0.241 nan 8.280 nan 0.000 0.521 366 P HA -0.114 nan 4.420 nan 0.000 0.222 366 P C 1.028 178.217 177.300 -0.186 0.000 1.147 366 P CA 1.800 64.826 63.100 -0.123 0.000 0.790 366 P CB 0.036 31.645 31.700 -0.150 0.000 0.780 367 R N -1.251 119.138 120.500 -0.184 0.000 2.140 367 R HA 0.151 4.475 4.340 -0.026 0.000 0.213 367 R C 2.149 178.273 176.300 -0.293 0.000 1.059 367 R CA 0.705 56.682 56.100 -0.205 0.000 1.000 367 R CB -0.603 29.605 30.300 -0.153 0.000 0.910 367 R HN 0.223 nan 8.270 nan 0.000 0.455 368 L N -0.692 120.284 121.223 -0.411 0.000 2.131 368 L HA -0.101 4.223 4.340 -0.026 0.000 0.206 368 L C 2.258 178.780 176.870 -0.579 0.000 1.087 368 L CA 1.033 55.496 54.840 -0.629 0.000 0.767 368 L CB -0.520 41.092 42.059 -0.745 0.000 0.917 368 L HN 0.128 nan 8.230 nan 0.000 0.441 369 Y N 1.839 121.663 120.300 -0.793 0.000 2.128 369 Y HA -0.186 4.348 4.550 -0.026 0.000 0.284 369 Y C -0.350 175.309 175.900 -0.402 0.000 1.154 369 Y CA 1.902 59.599 58.100 -0.671 0.000 1.149 369 Y CB -1.378 36.720 38.460 -0.604 0.000 0.976 369 Y HN 0.099 nan 8.280 nan 0.000 0.505 370 P HA -0.182 nan 4.420 nan 0.000 0.218 370 P C 1.274 178.422 177.300 -0.254 0.000 1.148 370 P CA 1.962 64.933 63.100 -0.215 0.000 0.822 370 P CB -0.013 31.616 31.700 -0.120 0.000 0.784 371 R N 0.098 120.449 120.500 -0.248 0.000 2.090 371 R HA 0.020 4.345 4.340 -0.026 0.000 0.228 371 R C 2.066 178.272 176.300 -0.156 0.000 1.110 371 R CA 1.336 57.346 56.100 -0.150 0.000 0.973 371 R CB -1.534 28.715 30.300 -0.085 0.000 0.869 371 R HN 0.122 nan 8.270 nan 0.000 0.440 372 I N 0.319 120.714 120.570 -0.292 0.000 2.226 372 I HA -0.257 3.897 4.170 -0.026 0.000 0.245 372 I C 2.639 178.512 176.117 -0.407 0.000 1.100 372 I CA 1.590 62.695 61.300 -0.324 0.000 1.374 372 I CB -0.345 37.332 38.000 -0.539 0.000 1.057 372 I HN 0.234 nan 8.210 nan 0.000 0.413 373 R N 1.229 121.361 120.500 -0.615 0.000 2.073 373 R HA -0.245 4.080 4.340 -0.026 0.000 0.234 373 R C 2.256 178.482 176.300 -0.124 0.000 1.134 373 R CA 1.992 57.866 56.100 -0.376 0.000 0.952 373 R CB -0.270 29.770 30.300 -0.433 0.000 0.850 373 R HN 0.383 nan 8.270 nan 0.000 0.433 374 E N 0.456 120.581 120.200 -0.125 0.000 2.085 374 E HA -0.213 4.122 4.350 -0.026 0.000 0.194 374 E C 1.986 178.584 176.600 -0.003 0.000 0.994 374 E CA 1.584 57.958 56.400 -0.043 0.000 0.801 374 E CB -0.134 29.539 29.700 -0.045 0.000 0.743 374 E HN 0.479 nan 8.360 nan 0.000 0.453 375 I N 0.415 120.980 120.570 -0.008 0.000 2.208 375 I HA -0.288 3.866 4.170 -0.026 0.000 0.245 375 I C 2.252 178.403 176.117 0.056 0.000 1.097 375 I CA 0.664 61.983 61.300 0.031 0.000 1.363 375 I CB -0.145 37.874 38.000 0.031 0.000 1.051 375 I HN 0.212 nan 8.210 nan 0.000 0.413 376 L N 0.427 121.692 121.223 0.071 0.000 2.083 376 L HA -0.214 4.111 4.340 -0.026 0.000 0.209 376 L C 2.417 179.339 176.870 0.086 0.000 1.083 376 L CA 1.787 56.682 54.840 0.092 0.000 0.752 376 L CB -0.658 41.493 42.059 0.154 0.000 0.899 376 L HN 0.212 nan 8.230 nan 0.000 0.433 377 E N -0.960 119.290 120.200 0.083 0.000 2.077 377 E HA -0.261 4.074 4.350 -0.026 0.000 0.193 377 E C 2.151 178.808 176.600 0.095 0.000 0.989 377 E CA 1.200 57.657 56.400 0.094 0.000 0.800 377 E CB -0.142 29.602 29.700 0.073 0.000 0.746 377 E HN 0.604 nan 8.360 nan 0.000 0.452 378 Q N 0.102 119.950 119.800 0.080 0.000 2.224 378 Q HA -0.086 4.238 4.340 -0.026 0.000 0.203 378 Q C 2.141 178.211 176.000 0.116 0.000 0.970 378 Q CA 0.808 56.664 55.803 0.089 0.000 0.865 378 Q CB 0.080 28.867 28.738 0.081 0.000 0.922 378 Q HN 0.357 nan 8.270 nan 0.000 0.445 379 I N -0.340 120.295 120.570 0.109 0.000 2.339 379 I HA -0.087 4.068 4.170 -0.026 0.000 0.245 379 I C 2.247 178.455 176.117 0.152 0.000 1.096 379 I CA 0.986 62.353 61.300 0.112 0.000 1.408 379 I CB -0.326 37.718 38.000 0.074 0.000 1.092 379 I HN 0.216 nan 8.210 nan 0.000 0.423 380 G N 0.269 109.170 108.800 0.168 0.000 2.430 380 G HA2 0.124 4.068 3.960 -0.026 0.000 0.216 380 G HA3 0.124 4.068 3.960 -0.026 0.000 0.216 380 G C 1.126 176.200 174.900 0.290 0.000 1.146 380 G CA 0.741 46.031 45.100 0.316 0.000 0.793 380 G HN 0.570 nan 8.290 nan 0.000 0.537 381 A N 0.089 123.020 122.820 0.185 0.000 5.481 381 A HA -0.304 4.000 4.320 -0.026 0.000 0.318 381 A C 2.330 179.989 177.584 0.125 0.000 1.837 381 A CA 3.271 55.386 52.037 0.130 0.000 0.717 381 A CB -1.825 17.234 19.000 0.098 0.000 1.349 381 A HN 1.618 nan 8.150 nan 0.000 0.388 382 S N -0.052 115.691 115.700 0.071 0.000 2.469 382 S HA 0.137 4.592 4.470 -0.026 0.000 0.238 382 S C 1.993 176.596 174.600 0.005 0.000 0.998 382 S CA 1.815 60.036 58.200 0.034 0.000 0.957 382 S CB -1.155 62.044 63.200 -0.001 0.000 0.764 382 S HN 2.213 nan 8.310 nan 0.000 0.514 383 G N 1.695 110.493 108.800 -0.003 0.000 2.448 383 G HA2 -0.004 3.941 3.960 -0.026 0.000 0.219 383 G HA3 -0.004 3.941 3.960 -0.026 0.000 0.219 383 G C 1.293 176.233 174.900 0.067 0.000 1.127 383 G CA 0.641 45.599 45.100 -0.237 0.000 0.766 383 G HN 0.561 nan 8.290 nan 0.000 0.552 384 L N 0.182 121.584 121.223 0.297 0.000 2.465 384 L HA 0.083 4.408 4.340 -0.026 0.000 0.224 384 L C 1.945 178.919 176.870 0.173 0.000 1.145 384 L CA 0.433 55.482 54.840 0.349 0.000 0.834 384 L CB -0.030 42.228 42.059 0.331 0.000 0.944 384 L HN 0.401 nan 8.230 nan 0.000 0.451 385 I N -6.160 114.445 120.570 0.059 0.000 4.240 385 I HA 0.148 4.302 4.170 -0.026 0.000 0.331 385 I C 0.471 176.526 176.117 -0.103 0.000 1.381 385 I CA 0.108 61.382 61.300 -0.043 0.000 1.136 385 I CB -0.015 37.995 38.000 0.018 0.000 1.137 385 I HN -0.241 nan 8.210 nan 0.000 0.411 386 T N 4.125 118.622 114.554 -0.095 0.000 3.477 386 T HA 0.506 4.841 4.350 -0.026 0.000 0.347 386 T C 0.104 174.732 174.700 -0.120 0.000 1.567 386 T CA 0.035 62.067 62.100 -0.112 0.000 1.169 386 T CB -0.356 68.438 68.868 -0.125 0.000 1.196 386 T HN 0.164 nan 8.240 nan 0.000 0.768 387 L N 4.805 125.933 121.223 -0.158 0.000 2.599 387 L HA 0.342 4.667 4.340 -0.026 0.000 0.241 387 L C -1.853 174.949 176.870 -0.113 0.000 1.207 387 L CA -1.869 52.870 54.840 -0.170 0.000 0.987 387 L CB 0.286 42.108 42.059 -0.394 0.000 1.318 387 L HN 0.250 nan 8.230 nan 0.000 0.458 388 P HA 0.076 nan 4.420 nan 0.000 0.272 388 P C -0.076 177.276 177.300 0.086 0.000 1.240 388 P CA -0.115 62.957 63.100 -0.047 0.000 0.791 388 P CB 1.451 33.053 31.700 -0.163 0.000 0.978 389 S N -0.636 115.103 115.700 0.065 0.000 2.693 389 S HA 0.089 4.544 4.470 -0.026 0.000 0.276 389 S C 1.435 176.151 174.600 0.194 0.000 1.192 389 S CA -0.253 58.042 58.200 0.159 0.000 0.994 389 S CB 0.410 63.654 63.200 0.073 0.000 1.012 389 S HN 0.517 nan 8.310 nan 0.000 0.550 390 E N 1.579 121.852 120.200 0.122 0.000 2.204 390 E HA -0.138 4.196 4.350 -0.026 0.000 0.195 390 E C 1.269 177.845 176.600 -0.040 0.000 0.990 390 E CA 0.869 57.133 56.400 -0.226 0.000 0.821 390 E CB -0.080 29.396 29.700 -0.372 0.000 0.750 390 E HN 0.384 nan 8.360 nan 0.000 0.477 391 K N 1.068 121.472 120.400 0.007 0.000 2.211 391 K HA -0.096 4.209 4.320 -0.026 0.000 0.203 391 K C 1.508 178.104 176.600 -0.008 0.000 1.050 391 K CA 1.150 57.439 56.287 0.003 0.000 0.945 391 K CB -0.187 32.322 32.500 0.014 0.000 0.732 391 K HN 0.339 nan 8.250 nan 0.000 0.451 392 D N -0.121 120.259 120.400 -0.033 0.000 2.149 392 D HA -0.071 4.554 4.640 -0.026 0.000 0.201 392 D C 1.810 178.025 176.300 -0.142 0.000 0.972 392 D CA 0.774 54.708 54.000 -0.110 0.000 0.835 392 D CB -0.096 40.587 40.800 -0.194 0.000 0.966 392 D HN 0.109 nan 8.370 nan 0.000 0.476 393 F N 1.478 121.389 119.950 -0.065 0.000 2.293 393 F HA -0.020 4.491 4.527 -0.026 0.000 0.300 393 F C 2.249 178.002 175.800 -0.078 0.000 1.086 393 F CA 0.906 58.858 58.000 -0.079 0.000 1.375 393 F CB 0.013 38.918 39.000 -0.157 0.000 1.045 393 F HN -0.186 nan 8.300 nan 0.000 0.516 394 K N -0.350 120.099 120.400 0.081 0.000 2.426 394 K HA 0.141 4.445 4.320 -0.026 0.000 0.193 394 K C 1.326 177.936 176.600 0.015 0.000 1.028 394 K CA 0.299 56.602 56.287 0.028 0.000 1.047 394 K CB -0.111 32.388 32.500 -0.002 0.000 0.821 394 K HN 0.228 nan 8.250 nan 0.000 0.513 395 G N 1.233 110.039 108.800 0.010 0.000 2.532 395 G HA2 0.137 4.081 3.960 -0.026 0.000 0.291 395 G HA3 0.137 4.081 3.960 -0.026 0.000 0.291 395 G C -1.944 172.967 174.900 0.018 0.000 1.349 395 G CA -1.083 44.021 45.100 0.006 0.000 1.038 395 G HN -0.186 nan 8.290 nan 0.000 0.518 396 P HA -0.055 nan 4.420 nan 0.000 0.217 396 P C 1.590 178.952 177.300 0.102 0.000 1.148 396 P CA 0.908 64.038 63.100 0.051 0.000 0.828 396 P CB 0.117 31.848 31.700 0.051 0.000 0.783 397 L N -2.055 119.233 121.223 0.108 0.000 2.591 397 L HA 0.160 4.484 4.340 -0.026 0.000 0.228 397 L C 2.357 179.309 176.870 0.137 0.000 1.133 397 L CA 0.340 55.312 54.840 0.220 0.000 0.880 397 L CB -1.070 41.063 42.059 0.124 0.000 1.033 397 L HN 0.051 nan 8.230 nan 0.000 0.450 398 G N 2.004 110.830 108.800 0.043 0.000 2.529 398 G HA2 -0.243 3.701 3.960 -0.026 0.000 0.219 398 G HA3 -0.243 3.701 3.960 -0.026 0.000 0.219 398 G C -0.638 174.287 174.900 0.041 0.000 1.177 398 G CA 0.866 45.986 45.100 0.034 0.000 0.773 398 G HN 0.312 nan 8.290 nan 0.000 0.573 399 P HA -0.089 nan 4.420 nan 0.000 0.216 399 P C 1.409 178.568 177.300 -0.236 0.000 1.150 399 P CA 0.898 63.891 63.100 -0.178 0.000 0.843 399 P CB -0.145 31.362 31.700 -0.321 0.000 0.787 400 F N -1.219 118.688 119.950 -0.071 0.000 2.146 400 F HA -0.086 4.426 4.527 -0.026 0.000 0.298 400 F C 2.245 177.979 175.800 -0.110 0.000 1.096 400 F CA 1.138 59.068 58.000 -0.117 0.000 1.275 400 F CB -1.330 37.727 39.000 0.094 0.000 1.008 400 F HN -0.196 nan 8.300 nan 0.000 0.480 401 L N -0.300 121.013 121.223 0.149 0.000 2.131 401 L HA -0.183 4.142 4.340 -0.026 0.000 0.210 401 L C 2.157 179.125 176.870 0.164 0.000 1.092 401 L CA 1.321 56.201 54.840 0.067 0.000 0.759 401 L CB -0.709 41.143 42.059 -0.345 0.000 0.903 401 L HN 0.200 nan 8.230 nan 0.000 0.435 402 E N 0.111 120.410 120.200 0.164 0.000 2.268 402 E HA -0.233 4.101 4.350 -0.026 0.000 0.195 402 E C 1.986 178.593 176.600 0.012 0.000 0.995 402 E CA 0.813 57.308 56.400 0.158 0.000 0.836 402 E CB 0.088 29.842 29.700 0.090 0.000 0.763 402 E HN 0.422 nan 8.360 nan 0.000 0.491 403 K N 0.308 120.625 120.400 -0.138 0.000 2.099 403 K HA -0.028 4.276 4.320 -0.026 0.000 0.203 403 K C 1.564 178.044 176.600 -0.200 0.000 1.047 403 K CA 0.558 56.676 56.287 -0.281 0.000 0.963 403 K CB 0.098 32.242 32.500 -0.593 0.000 0.759 403 K HN -0.043 nan 8.250 nan 0.000 0.451 404 F N 1.015 121.013 119.950 0.080 0.000 2.456 404 F HA 0.112 4.624 4.527 -0.026 0.000 0.298 404 F C 1.452 177.273 175.800 0.035 0.000 1.104 404 F CA 0.556 58.586 58.000 0.051 0.000 1.435 404 F CB 0.111 39.135 39.000 0.039 0.000 1.078 404 F HN -0.036 nan 8.300 nan 0.000 0.546 405 L N 0.282 121.631 121.223 0.209 0.000 2.910 405 L HA 0.177 4.502 4.340 -0.026 0.000 0.252 405 L C 0.742 177.690 176.870 0.130 0.000 1.195 405 L CA -0.284 54.647 54.840 0.152 0.000 1.003 405 L CB -0.409 41.758 42.059 0.180 0.000 1.328 405 L HN 0.129 nan 8.230 nan 0.000 0.540 406 Q N -0.216 119.649 119.800 0.109 0.000 2.471 406 Q HA 0.492 4.817 4.340 -0.026 0.000 0.223 406 Q C 0.153 176.197 176.000 0.073 0.000 1.045 406 Q CA -0.128 55.725 55.803 0.082 0.000 0.956 406 Q CB 1.163 29.932 28.738 0.052 0.000 1.249 406 Q HN 0.059 nan 8.270 nan 0.000 0.549 407 G N -0.614 108.228 108.800 0.071 0.000 3.175 407 G HA2 0.572 4.517 3.960 -0.026 0.000 0.255 407 G HA3 0.572 4.517 3.960 -0.026 0.000 0.255 407 G C -1.284 173.654 174.900 0.063 0.000 1.352 407 G CA -0.785 44.361 45.100 0.076 0.000 1.037 407 G HN 0.835 nan 8.290 nan 0.000 0.556 408 A N -0.867 121.993 122.820 0.066 0.000 2.410 408 A HA 0.582 4.887 4.320 -0.026 0.000 0.292 408 A C 1.268 178.877 177.584 0.042 0.000 1.232 408 A CA 1.040 53.106 52.037 0.049 0.000 0.893 408 A CB -0.900 18.129 19.000 0.048 0.000 1.131 408 A HN 2.560 nan 8.150 nan 0.000 0.530 409 A N 1.318 124.158 122.820 0.032 0.000 2.872 409 A HA -0.103 4.202 4.320 -0.026 0.000 0.273 409 A C -0.070 177.532 177.584 0.029 0.000 1.442 409 A CA 1.297 53.349 52.037 0.025 0.000 0.801 409 A CB -2.227 16.784 19.000 0.019 0.000 1.031 409 A HN 1.928 nan 8.150 nan 0.000 0.582 410 L N -0.515 120.731 121.223 0.039 0.000 2.436 410 L HA 0.637 4.962 4.340 -0.026 0.000 0.268 410 L C -0.007 176.888 176.870 0.042 0.000 0.974 410 L CA -0.445 54.422 54.840 0.044 0.000 0.826 410 L CB 1.577 43.677 42.059 0.068 0.000 1.291 410 L HN 0.349 nan 8.230 nan 0.000 0.406 411 E N 2.673 122.889 120.200 0.027 0.000 2.398 411 E HA 0.192 4.527 4.350 -0.026 0.000 0.263 411 E C 0.667 177.284 176.600 0.029 0.000 1.046 411 E CA 0.637 57.046 56.400 0.014 0.000 0.908 411 E CB 1.907 31.599 29.700 -0.013 0.000 0.963 411 E HN 0.836 nan 8.360 nan 0.000 0.431 412 A N 5.469 128.314 122.820 0.043 0.000 1.908 412 A HA -0.230 4.074 4.320 -0.026 0.000 0.218 412 A C 1.943 179.526 177.584 -0.002 0.000 1.181 412 A CA 1.976 54.079 52.037 0.111 0.000 0.627 412 A CB -0.254 18.902 19.000 0.259 0.000 0.818 412 A HN 0.714 nan 8.150 nan 0.000 0.445 413 K N -0.447 119.782 120.400 -0.285 0.000 2.097 413 K HA -0.150 4.154 4.320 -0.026 0.000 0.206 413 K C 1.979 178.569 176.600 -0.017 0.000 1.049 413 K CA 1.580 57.591 56.287 -0.461 0.000 0.933 413 K CB -0.180 32.002 32.500 -0.530 0.000 0.717 413 K HN 0.641 nan 8.250 nan 0.000 0.442 414 E N 0.365 120.563 120.200 -0.003 0.000 2.072 414 E HA -0.163 4.172 4.350 -0.026 0.000 0.191 414 E C 2.175 178.824 176.600 0.081 0.000 0.985 414 E CA 0.527 56.954 56.400 0.044 0.000 0.801 414 E CB 0.031 29.747 29.700 0.028 0.000 0.750 414 E HN 0.147 nan 8.360 nan 0.000 0.452 415 R N 1.334 121.903 120.500 0.114 0.000 2.073 415 R HA -0.123 4.201 4.340 -0.026 0.000 0.234 415 R C 2.127 178.586 176.300 0.264 0.000 1.134 415 R CA 1.273 57.495 56.100 0.204 0.000 0.952 415 R CB -0.572 29.829 30.300 0.169 0.000 0.850 415 R HN 0.096 nan 8.270 nan 0.000 0.433 416 V N 1.528 121.571 119.914 0.216 0.000 2.515 416 V HA -0.161 3.944 4.120 -0.026 0.000 0.250 416 V C 2.649 178.703 176.094 -0.066 0.000 1.058 416 V CA 1.591 64.016 62.300 0.208 0.000 1.064 416 V CB -0.821 31.290 31.823 0.479 0.000 0.675 416 V HN 0.469 nan 8.190 nan 0.000 0.461 417 A N 0.078 122.782 122.820 -0.192 0.000 1.902 417 A HA -0.203 4.102 4.320 -0.026 0.000 0.217 417 A C 2.163 179.615 177.584 -0.220 0.000 1.181 417 A CA 2.127 53.863 52.037 -0.502 0.000 0.623 417 A CB -0.531 18.348 19.000 -0.203 0.000 0.818 417 A HN 0.460 nan 8.150 nan 0.000 0.443 418 L N -1.653 119.540 121.223 -0.050 0.000 2.027 418 L HA -0.021 4.303 4.340 -0.026 0.000 0.206 418 L C 2.137 178.961 176.870 -0.076 0.000 1.074 418 L CA 1.956 56.763 54.840 -0.055 0.000 0.745 418 L CB -0.759 41.288 42.059 -0.021 0.000 0.898 418 L HN 0.320 nan 8.230 nan 0.000 0.433 419 F N -0.323 119.606 119.950 -0.035 0.000 2.293 419 F HA -0.069 4.443 4.527 -0.026 0.000 0.300 419 F C 2.544 178.364 175.800 0.034 0.000 1.086 419 F CA 0.870 58.877 58.000 0.011 0.000 1.375 419 F CB -0.378 38.634 39.000 0.020 0.000 1.045 419 F HN 0.014 nan 8.300 nan 0.000 0.516 420 R N -0.172 120.383 120.500 0.092 0.000 2.092 420 R HA -0.130 4.194 4.340 -0.026 0.000 0.231 420 R C 2.193 178.588 176.300 0.157 0.000 1.119 420 R CA 0.944 57.083 56.100 0.064 0.000 0.970 420 R CB -1.058 29.110 30.300 -0.220 0.000 0.864 420 R HN 0.301 nan 8.270 nan 0.000 0.440 421 L N 0.706 121.933 121.223 0.007 0.000 2.027 421 L HA -0.016 4.308 4.340 -0.026 0.000 0.206 421 L C 2.225 179.086 176.870 -0.015 0.000 1.074 421 L CA 2.010 56.836 54.840 -0.024 0.000 0.745 421 L CB -0.807 41.195 42.059 -0.095 0.000 0.898 421 L HN 0.095 nan 8.230 nan 0.000 0.433 422 A N -1.007 121.788 122.820 -0.041 0.000 1.908 422 A HA -0.291 4.013 4.320 -0.026 0.000 0.218 422 A C 2.162 179.799 177.584 0.089 0.000 1.181 422 A CA 1.836 53.838 52.037 -0.059 0.000 0.627 422 A CB -1.548 17.352 19.000 -0.166 0.000 0.818 422 A HN 0.781 nan 8.150 nan 0.000 0.445 423 W N 0.933 122.235 121.300 0.004 0.000 2.358 423 W HA -0.153 4.491 4.660 -0.026 0.000 0.303 423 W C 1.362 177.932 176.519 0.085 0.000 1.208 423 W CA 1.714 59.096 57.345 0.062 0.000 1.274 423 W CB -0.199 29.305 29.460 0.073 0.000 1.138 423 W HN 0.361 nan 8.180 nan 0.000 0.515 424 D N -0.104 120.289 120.400 -0.012 0.000 2.264 424 D HA -0.157 4.468 4.640 -0.026 0.000 0.208 424 D C 1.984 178.273 176.300 -0.019 0.000 0.966 424 D CA 1.340 55.213 54.000 -0.212 0.000 0.864 424 D CB -0.317 40.476 40.800 -0.012 0.000 0.933 424 D HN 0.245 nan 8.370 nan 0.000 0.499 425 M N -1.209 118.384 119.600 -0.013 0.000 2.556 425 M HA 0.031 4.495 4.480 -0.026 0.000 0.245 425 M C 1.379 177.750 176.300 0.119 0.000 1.128 425 M CA 0.881 56.197 55.300 0.028 0.000 1.069 425 M CB 0.552 33.015 32.600 -0.229 0.000 1.469 425 M HN 0.060 nan 8.290 nan 0.000 0.494 426 T N -4.033 110.537 114.554 0.027 0.000 3.340 426 T HA 0.253 4.588 4.350 -0.026 0.000 0.272 426 T C 1.258 175.937 174.700 -0.034 0.000 0.965 426 T CA -0.216 61.919 62.100 0.059 0.000 1.040 426 T CB -0.013 68.921 68.868 0.110 0.000 1.183 426 T HN 0.250 nan 8.240 nan 0.000 0.478 427 L N 2.519 123.646 121.223 -0.160 0.000 2.638 427 L HA 0.419 4.743 4.340 -0.026 0.000 0.232 427 L C 1.228 177.874 176.870 -0.372 0.000 1.099 427 L CA -0.162 54.583 54.840 -0.158 0.000 0.883 427 L CB 0.279 42.403 42.059 0.108 0.000 1.136 427 L HN 0.348 nan 8.230 nan 0.000 0.492 428 S N -0.252 114.915 115.700 -0.888 0.000 2.608 428 S HA 0.213 4.668 4.470 -0.026 0.000 0.261 428 S C 1.472 175.928 174.600 -0.241 0.000 1.314 428 S CA -0.021 57.699 58.200 -0.801 0.000 0.992 428 S CB 1.179 63.634 63.200 -1.242 0.000 0.935 428 S HN 0.182 nan 8.310 nan 0.000 0.564 429 G N 0.092 108.849 108.800 -0.072 0.000 2.442 429 G HA2 -0.183 3.762 3.960 -0.026 0.000 0.219 429 G HA3 -0.183 3.762 3.960 -0.026 0.000 0.219 429 G C 1.020 175.916 174.900 -0.007 0.000 1.141 429 G CA 0.840 45.940 45.100 -0.000 0.000 0.763 429 G HN 0.722 nan 8.290 nan 0.000 0.554 430 F N 2.258 122.128 119.950 -0.134 0.000 2.102 430 F HA 0.052 4.565 4.527 -0.023 0.000 0.298 430 F C 2.549 178.288 175.800 -0.103 0.000 1.105 430 F CA 1.806 59.737 58.000 -0.115 0.000 1.239 430 F CB -0.490 38.431 39.000 -0.132 0.000 0.991 430 F HN 0.098 nan 8.300 nan 0.000 0.474 431 G N -0.262 108.463 108.800 -0.126 0.000 2.418 431 G HA2 -0.208 3.737 3.960 -0.026 0.000 0.217 431 G HA3 -0.208 3.737 3.960 -0.026 0.000 0.217 431 G C 1.799 176.632 174.900 -0.112 0.000 1.158 431 G CA 0.795 45.806 45.100 -0.147 0.000 0.771 431 G HN 0.628 nan 8.290 nan 0.000 0.545 432 A N 0.726 123.491 122.820 -0.090 0.000 1.933 432 A HA -0.009 4.296 4.320 -0.026 0.000 0.218 432 A C 2.307 179.876 177.584 -0.024 0.000 1.175 432 A CA 1.821 53.843 52.037 -0.024 0.000 0.628 432 A CB -0.468 18.526 19.000 -0.009 0.000 0.814 432 A HN 0.379 nan 8.150 nan 0.000 0.444 433 R N -0.687 119.760 120.500 -0.088 0.000 2.105 433 R HA -0.190 4.135 4.340 -0.026 0.000 0.239 433 R C 2.079 178.338 176.300 -0.068 0.000 1.135 433 R CA 1.676 57.731 56.100 -0.075 0.000 0.967 433 R CB -0.299 29.922 30.300 -0.132 0.000 0.861 433 R HN 0.497 nan 8.270 nan 0.000 0.442 434 Q N 0.541 120.231 119.800 -0.183 0.000 2.197 434 Q HA -0.234 4.090 4.340 -0.026 0.000 0.207 434 Q C 1.827 177.843 176.000 0.027 0.000 0.984 434 Q CA 1.741 57.466 55.803 -0.131 0.000 0.869 434 Q CB -0.172 28.473 28.738 -0.154 0.000 0.906 434 Q HN 0.594 nan 8.270 nan 0.000 0.426 435 E N 0.317 120.606 120.200 0.149 0.000 2.028 435 E HA -0.181 4.153 4.350 -0.026 0.000 0.191 435 E C 2.060 178.737 176.600 0.127 0.000 0.988 435 E CA 0.683 57.224 56.400 0.235 0.000 0.799 435 E CB -0.030 29.788 29.700 0.197 0.000 0.755 435 E HN 0.199 nan 8.360 nan 0.000 0.447 436 L N 0.574 121.874 121.223 0.129 0.000 2.083 436 L HA -0.189 4.136 4.340 -0.026 0.000 0.209 436 L C 2.313 179.312 176.870 0.216 0.000 1.083 436 L CA 1.767 56.715 54.840 0.181 0.000 0.752 436 L CB -0.765 41.396 42.059 0.170 0.000 0.899 436 L HN 0.275 nan 8.230 nan 0.000 0.433 437 Y N 0.407 120.738 120.300 0.052 0.000 2.128 437 Y HA -0.252 4.282 4.550 -0.026 0.000 0.284 437 Y C 2.438 178.425 175.900 0.145 0.000 1.154 437 Y CA 2.125 60.265 58.100 0.067 0.000 1.149 437 Y CB -0.129 38.288 38.460 -0.071 0.000 0.976 437 Y HN 0.260 nan 8.280 nan 0.000 0.505 438 E N 0.397 120.602 120.200 0.008 0.000 2.110 438 E HA -0.191 4.144 4.350 -0.026 0.000 0.193 438 E C 2.257 178.802 176.600 -0.091 0.000 0.988 438 E CA 1.284 57.657 56.400 -0.045 0.000 0.804 438 E CB -0.314 29.182 29.700 -0.340 0.000 0.745 438 E HN 0.577 nan 8.360 nan 0.000 0.458 439 R N -0.933 119.485 120.500 -0.137 0.000 2.115 439 R HA -0.048 4.277 4.340 -0.026 0.000 0.230 439 R C 1.358 177.291 176.300 -0.610 0.000 1.111 439 R CA 1.034 56.908 56.100 -0.377 0.000 0.976 439 R CB -0.013 30.025 30.300 -0.438 0.000 0.870 439 R HN 0.143 nan 8.270 nan 0.000 0.445 440 F N -1.947 117.917 119.950 -0.143 0.000 2.831 440 F HA 0.105 4.622 4.527 -0.018 0.000 0.334 440 F C 1.346 177.002 175.800 -0.240 0.000 1.071 440 F CA -0.990 56.911 58.000 -0.164 0.000 1.172 440 F CB -0.058 38.894 39.000 -0.081 0.000 1.054 440 F HN -0.107 nan 8.300 nan 0.000 0.572 441 F N -0.382 119.425 119.950 -0.238 0.000 2.154 441 F HA -0.232 4.280 4.527 -0.027 0.000 0.301 441 F C 1.715 177.435 175.800 -0.133 0.000 1.087 441 F CA 1.594 59.366 58.000 -0.381 0.000 1.274 441 F CB -1.424 36.905 39.000 -1.120 0.000 1.009 441 F HN 0.033 nan 8.300 nan 0.000 0.485 442 F N 0.877 120.124 119.950 -1.172 0.000 2.789 442 F HA 0.417 4.928 4.527 -0.028 0.000 0.300 442 F C 1.181 176.805 175.800 -0.293 0.000 1.132 442 F CA 0.344 57.935 58.000 -0.681 0.000 1.404 442 F CB 0.146 38.619 39.000 -0.878 0.000 1.114 442 F HN 0.358 nan 8.300 nan 0.000 0.584 443 G N 0.286 109.083 108.800 -0.004 0.000 2.361 443 G HA2 -0.070 3.875 3.960 -0.026 0.000 0.331 443 G HA3 -0.070 3.875 3.960 -0.026 0.000 0.331 443 G C -2.056 172.915 174.900 0.118 0.000 1.324 443 G CA -0.963 44.176 45.100 0.065 0.000 0.984 443 G HN -0.076 nan 8.290 nan 0.000 0.586 444 D N 0.542 121.043 120.400 0.168 0.000 2.343 444 D HA 0.499 5.124 4.640 -0.026 0.000 0.255 444 D C -0.787 175.547 176.300 0.058 0.000 1.187 444 D CA -1.941 52.202 54.000 0.237 0.000 0.875 444 D CB 1.572 42.503 40.800 0.219 0.000 1.136 444 D HN -0.001 nan 8.370 nan 0.000 0.469 445 P HA -0.208 nan 4.420 nan 0.000 0.217 445 P C 1.519 178.797 177.300 -0.036 0.000 1.151 445 P CA 0.725 63.772 63.100 -0.090 0.000 0.849 445 P CB 0.276 31.810 31.700 -0.276 0.000 0.787 446 V N -0.386 119.499 119.914 -0.048 0.000 2.287 446 V HA -0.270 3.834 4.120 -0.026 0.000 0.248 446 V C 2.412 178.531 176.094 0.041 0.000 1.053 446 V CA 1.994 64.278 62.300 -0.027 0.000 1.027 446 V CB -0.912 30.904 31.823 -0.011 0.000 0.646 446 V HN 0.091 nan 8.190 nan 0.000 0.447 447 R N -1.216 119.316 120.500 0.053 0.000 2.161 447 R HA 0.086 4.410 4.340 -0.026 0.000 0.213 447 R C 2.304 178.643 176.300 0.065 0.000 1.055 447 R CA 0.950 57.085 56.100 0.058 0.000 0.996 447 R CB -0.218 30.112 30.300 0.051 0.000 0.901 447 R HN 0.454 nan 8.270 nan 0.000 0.456 448 M N -0.891 118.751 119.600 0.070 0.000 2.175 448 M HA -0.165 4.300 4.480 -0.026 0.000 0.264 448 M C 1.398 177.731 176.300 0.055 0.000 1.063 448 M CA 1.626 56.944 55.300 0.030 0.000 1.119 448 M CB -0.149 32.452 32.600 0.001 0.000 1.377 448 M HN 0.111 nan 8.290 nan 0.000 0.415 449 Y N 0.642 120.902 120.300 -0.067 0.000 2.263 449 Y HA -0.169 4.369 4.550 -0.019 0.000 0.292 449 Y C 2.491 178.394 175.900 0.004 0.000 1.130 449 Y CA 1.288 59.358 58.100 -0.050 0.000 1.179 449 Y CB -0.516 37.906 38.460 -0.063 0.000 0.998 449 Y HN 0.282 nan 8.280 nan 0.000 0.532 450 Q N -1.114 118.778 119.800 0.153 0.000 2.119 450 Q HA -0.153 4.172 4.340 -0.026 0.000 0.201 450 Q C 2.100 178.183 176.000 0.138 0.000 0.972 450 Q CA 1.934 57.813 55.803 0.126 0.000 0.847 450 Q CB -0.241 28.544 28.738 0.079 0.000 0.903 450 Q HN 0.377 nan 8.270 nan 0.000 0.433 451 T N 1.323 115.924 114.554 0.077 0.000 2.777 451 T HA -0.134 4.200 4.350 -0.026 0.000 0.266 451 T C 1.704 176.421 174.700 0.029 0.000 1.040 451 T CA 0.932 63.060 62.100 0.047 0.000 1.141 451 T CB -0.234 68.639 68.868 0.008 0.000 0.868 451 T HN 0.132 nan 8.240 nan 0.000 0.444 452 L N 0.587 121.797 121.223 -0.022 0.000 2.046 452 L HA -0.062 4.263 4.340 -0.026 0.000 0.208 452 L C 2.119 178.996 176.870 0.011 0.000 1.077 452 L CA 1.738 56.538 54.840 -0.066 0.000 0.747 452 L CB -1.004 40.913 42.059 -0.237 0.000 0.896 452 L HN 0.341 nan 8.230 nan 0.000 0.432 453 Y N 0.618 120.889 120.300 -0.048 0.000 2.128 453 Y HA -0.311 4.224 4.550 -0.026 0.000 0.284 453 Y C 2.248 178.178 175.900 0.050 0.000 1.154 453 Y CA 2.423 60.523 58.100 -0.000 0.000 1.149 453 Y CB -0.533 37.932 38.460 0.008 0.000 0.976 453 Y HN 0.411 nan 8.280 nan 0.000 0.505 454 N N -0.470 118.250 118.700 0.033 0.000 2.270 454 N HA -0.124 4.600 4.740 -0.026 0.000 0.181 454 N C 1.795 177.268 175.510 -0.063 0.000 1.016 454 N CA 1.752 54.775 53.050 -0.045 0.000 0.870 454 N CB -0.161 38.382 38.487 0.093 0.000 0.979 454 N HN 0.447 nan 8.380 nan 0.000 0.431 455 V N -2.559 117.348 119.914 -0.013 0.000 2.878 455 V HA 0.076 4.180 4.120 -0.026 0.000 0.250 455 V C 0.590 176.689 176.094 0.009 0.000 1.075 455 V CA 0.239 62.537 62.300 -0.004 0.000 1.096 455 V CB -0.961 30.868 31.823 0.010 0.000 0.724 455 V HN 0.107 nan 8.190 nan 0.000 0.467 456 Y N 3.269 123.501 120.300 -0.113 0.000 2.511 456 Y HA 0.307 4.845 4.550 -0.021 0.000 0.332 456 Y C 0.706 176.561 175.900 -0.075 0.000 1.177 456 Y CA -0.211 57.839 58.100 -0.084 0.000 1.422 456 Y CB 0.316 38.725 38.460 -0.084 0.000 1.271 456 Y HN 0.359 nan 8.280 nan 0.000 0.550 457 N N 4.727 123.185 118.700 -0.404 0.000 2.415 457 N HA 0.075 4.799 4.740 -0.026 0.000 0.250 457 N C -0.236 175.218 175.510 -0.094 0.000 1.127 457 N CA 0.109 53.012 53.050 -0.244 0.000 0.945 457 N CB 0.386 38.705 38.487 -0.279 0.000 1.196 457 N HN 0.636 nan 8.380 nan 0.000 0.499 458 K N 1.701 122.138 120.400 0.062 0.000 2.393 458 K HA -0.002 4.303 4.320 -0.026 0.000 0.193 458 K C 0.954 177.603 176.600 0.081 0.000 1.026 458 K CA 0.028 56.469 56.287 0.257 0.000 1.064 458 K CB 0.452 33.069 32.500 0.194 0.000 0.833 458 K HN 0.389 nan 8.250 nan 0.000 0.521 459 E N 2.026 122.184 120.200 -0.071 0.000 2.097 459 E HA -0.146 4.189 4.350 -0.026 0.000 0.196 459 E C -1.060 175.409 176.600 -0.218 0.000 1.000 459 E CA 1.545 57.877 56.400 -0.113 0.000 0.804 459 E CB -0.903 28.731 29.700 -0.110 0.000 0.740 459 E HN 0.100 nan 8.360 nan 0.000 0.454 460 P HA -0.151 nan 4.420 nan 0.000 0.216 460 P C 0.716 177.711 177.300 -0.509 0.000 1.150 460 P CA 1.454 64.220 63.100 -0.556 0.000 0.837 460 P CB -0.154 31.059 31.700 -0.811 0.000 0.786 461 Y N -0.282 120.032 120.300 0.023 0.000 2.286 461 Y HA 0.002 4.539 4.550 -0.022 0.000 0.293 461 Y C 2.168 178.087 175.900 0.031 0.000 1.124 461 Y CA 0.764 58.883 58.100 0.032 0.000 1.178 461 Y CB -1.189 37.300 38.460 0.049 0.000 1.010 461 Y HN -0.117 nan 8.280 nan 0.000 0.536 462 K N 0.109 120.574 120.400 0.109 0.000 2.097 462 K HA -0.205 4.099 4.320 -0.026 0.000 0.205 462 K C 1.981 178.610 176.600 0.048 0.000 1.050 462 K CA 1.588 57.925 56.287 0.082 0.000 0.938 462 K CB -0.090 32.448 32.500 0.064 0.000 0.718 462 K HN 0.142 nan 8.250 nan 0.000 0.442 463 E N 1.576 121.778 120.200 0.003 0.000 2.106 463 E HA -0.172 4.162 4.350 -0.026 0.000 0.192 463 E C 1.919 178.537 176.600 0.032 0.000 0.984 463 E CA 1.283 57.684 56.400 0.002 0.000 0.806 463 E CB -0.023 29.654 29.700 -0.037 0.000 0.750 463 E HN 0.131 nan 8.360 nan 0.000 0.458 464 R N -0.131 120.390 120.500 0.036 0.000 2.096 464 R HA -0.090 4.235 4.340 -0.026 0.000 0.235 464 R C 1.925 178.296 176.300 0.119 0.000 1.127 464 R CA 1.414 57.559 56.100 0.074 0.000 0.968 464 R CB -0.170 30.175 30.300 0.076 0.000 0.861 464 R HN 0.227 nan 8.270 nan 0.000 0.440 465 I N 0.896 121.528 120.570 0.105 0.000 2.286 465 I HA -0.188 3.966 4.170 -0.026 0.000 0.245 465 I C 2.273 178.482 176.117 0.153 0.000 1.104 465 I CA 1.299 62.673 61.300 0.123 0.000 1.397 465 I CB -1.066 36.985 38.000 0.085 0.000 1.072 465 I HN 0.225 nan 8.210 nan 0.000 0.417 466 R N 0.836 121.399 120.500 0.106 0.000 2.105 466 R HA -0.139 4.185 4.340 -0.026 0.000 0.239 466 R C 2.330 178.687 176.300 0.095 0.000 1.135 466 R CA 1.590 57.744 56.100 0.090 0.000 0.967 466 R CB -0.413 29.922 30.300 0.058 0.000 0.861 466 R HN 0.355 nan 8.270 nan 0.000 0.442 467 A N 0.666 123.546 122.820 0.099 0.000 1.898 467 A HA -0.173 4.132 4.320 -0.026 0.000 0.216 467 A C 1.948 179.594 177.584 0.103 0.000 1.181 467 A CA 0.982 53.069 52.037 0.084 0.000 0.620 467 A CB -0.590 18.457 19.000 0.078 0.000 0.819 467 A HN 0.325 nan 8.150 nan 0.000 0.442 468 F N 0.389 120.353 119.950 0.023 0.000 2.216 468 F HA -0.050 4.463 4.527 -0.023 0.000 0.300 468 F C 1.716 177.530 175.800 0.024 0.000 1.085 468 F CA 1.327 59.340 58.000 0.023 0.000 1.326 468 F CB -0.051 38.966 39.000 0.027 0.000 1.027 468 F HN 0.111 nan 8.300 nan 0.000 0.497 469 L N -0.267 121.066 121.223 0.184 0.000 2.552 469 L HA -0.104 4.221 4.340 -0.026 0.000 0.227 469 L C 2.087 178.977 176.870 0.034 0.000 1.146 469 L CA 0.496 55.404 54.840 0.113 0.000 0.858 469 L CB -0.540 41.600 42.059 0.135 0.000 0.969 469 L HN 0.062 nan 8.230 nan 0.000 0.451 470 K N 0.087 120.488 120.400 0.001 0.000 2.063 470 K HA -0.178 4.127 4.320 -0.026 0.000 0.208 470 K C 1.903 178.479 176.600 -0.039 0.000 1.048 470 K CA 1.114 57.396 56.287 -0.009 0.000 0.928 470 K CB 0.023 32.511 32.500 -0.019 0.000 0.713 470 K HN 0.211 nan 8.250 nan 0.000 0.442 471 E N 0.510 120.647 120.200 -0.105 0.000 2.204 471 E HA -0.103 4.232 4.350 -0.026 0.000 0.195 471 E C 2.047 178.592 176.600 -0.092 0.000 0.990 471 E CA 0.855 57.182 56.400 -0.122 0.000 0.821 471 E CB -0.031 29.544 29.700 -0.207 0.000 0.750 471 E HN 0.162 nan 8.360 nan 0.000 0.477 472 S N 0.799 116.465 115.700 -0.058 0.000 2.355 472 S HA -0.062 4.392 4.470 -0.026 0.000 0.222 472 S C 1.803 176.403 174.600 0.000 0.000 1.031 472 S CA 0.577 58.765 58.200 -0.021 0.000 0.993 472 S CB -0.005 63.223 63.200 0.047 0.000 0.859 472 S HN 0.172 nan 8.310 nan 0.000 0.453 473 L N 1.580 122.850 121.223 0.078 0.000 2.376 473 L HA 0.096 4.420 4.340 -0.026 0.000 0.219 473 L C 1.856 178.813 176.870 0.144 0.000 1.133 473 L CA 1.325 56.288 54.840 0.205 0.000 0.816 473 L CB -1.051 41.115 42.059 0.177 0.000 0.933 473 L HN 0.323 nan 8.230 nan 0.000 0.449 474 K N 0.007 120.416 120.400 0.015 0.000 2.362 474 K HA -0.068 4.236 4.320 -0.026 0.000 0.200 474 K C 1.916 178.465 176.600 -0.084 0.000 1.046 474 K CA 0.911 57.190 56.287 -0.013 0.000 0.952 474 K CB 0.004 32.483 32.500 -0.036 0.000 0.753 474 K HN 0.337 nan 8.250 nan 0.000 0.466 475 V N -1.737 118.036 119.914 -0.235 0.000 3.078 475 V HA -0.140 3.964 4.120 -0.026 0.000 0.265 475 V C 1.384 177.227 176.094 -0.420 0.000 1.122 475 V CA 1.336 63.412 62.300 -0.374 0.000 1.141 475 V CB -0.829 30.666 31.823 -0.547 0.000 0.735 475 V HN 0.117 nan 8.190 nan 0.000 0.498 476 F N 0.454 120.401 119.950 -0.005 0.000 2.776 476 F HA 0.368 4.879 4.527 -0.026 0.000 0.300 476 F C 1.585 177.383 175.800 -0.004 0.000 1.116 476 F CA -0.298 57.700 58.000 -0.003 0.000 1.375 476 F CB 0.040 39.039 39.000 -0.001 0.000 1.109 476 F HN 0.207 nan 8.300 nan 0.000 0.585 477 E N 0.000 120.268 120.200 0.113 0.000 2.725 477 E HA 0.000 4.335 4.350 -0.026 0.000 0.291 477 E CA 0.000 56.442 56.400 0.070 0.000 0.976 477 E CB 0.000 29.723 29.700 0.039 0.000 0.812 477 E HN 0.000 nan 8.360 nan 0.000 0.440