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 2zkj_1_B DATA FIRST_RESID 20 DATA SEQUENCE VPREVEHFSR YSPSPLSMKQ LLDFGSXXXC ERTSFAFLRQ ELPVRLANIL DATA SEQUENCE KEIDILPTQL VNTSSVQLVK SWYIQSLMDL VEFHEKSPDD QKALSDFVDT DATA SEQUENCE LIKVRNRHHN VVPTMAQGII EYKDACTXXP VTNQNLQYFL DRFYMNRIST DATA SEQUENCE RMLMNQHILI FSDSQTGNPS HIGSIDPNCD VVAVVQDAFE CSRMLCDQYY DATA SEQUENCE LSSPELKLTQ VNGKFPDQPI HIVYVPSHLH HMLFELFKNA MRATVEHQEN DATA SEQUENCE QPSLTPIEVI VVLGKEDLTI KISDRGGGVP LRIIDRLFSY TYSTAPTPVM DATA SEQUENCE XXXXXAPLAG FGYGLPISRL YAKYFQGDLN LYSLSGYGTD AIIYLKALSS DATA SEQUENCE ESIEKLPVFN KSAFKHYXXX XXXXDW 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 20 V HA 0.000 nan 4.120 nan 0.000 0.244 20 V C 0.000 176.112 176.094 0.030 0.000 1.182 20 V CA 0.000 62.307 62.300 0.013 0.000 1.235 20 V CB 0.000 31.829 31.823 0.011 0.000 1.184 21 P HA 0.417 nan 4.420 nan 0.000 0.269 21 P C 0.896 178.239 177.300 0.072 0.000 1.215 21 P CA -0.404 62.728 63.100 0.053 0.000 0.780 21 P CB 0.808 32.546 31.700 0.063 0.000 0.898 22 R N 0.797 121.337 120.500 0.066 0.000 2.127 22 R HA -0.179 4.165 4.340 0.007 0.000 0.238 22 R C 1.582 177.959 176.300 0.128 0.000 1.134 22 R CA 1.471 57.614 56.100 0.072 0.000 0.975 22 R CB -0.129 30.195 30.300 0.041 0.000 0.865 22 R HN 0.572 nan 8.270 nan 0.000 0.447 23 E N -0.192 120.107 120.200 0.165 0.000 2.106 23 E HA -0.123 4.231 4.350 0.007 0.000 0.192 23 E C 1.947 178.783 176.600 0.393 0.000 0.984 23 E CA 0.985 57.574 56.400 0.315 0.000 0.806 23 E CB -0.013 29.847 29.700 0.267 0.000 0.750 23 E HN 0.062 nan 8.360 nan 0.000 0.458 24 V N 0.794 120.849 119.914 0.236 0.000 2.307 24 V HA -0.227 3.897 4.120 0.007 0.000 0.245 24 V C 2.274 178.478 176.094 0.183 0.000 1.045 24 V CA 1.876 64.298 62.300 0.202 0.000 1.024 24 V CB -0.427 31.468 31.823 0.121 0.000 0.651 24 V HN 0.190 nan 8.190 nan 0.000 0.449 25 E N 0.094 120.378 120.200 0.140 0.000 2.077 25 E HA -0.254 4.100 4.350 0.007 0.000 0.193 25 E C 2.081 178.741 176.600 0.100 0.000 0.989 25 E CA 1.926 58.387 56.400 0.102 0.000 0.800 25 E CB -0.396 29.348 29.700 0.073 0.000 0.746 25 E HN 0.784 nan 8.360 nan 0.000 0.452 26 H N -0.982 118.093 119.070 0.008 0.000 2.256 26 H HA -0.096 4.465 4.556 0.008 0.000 0.299 26 H C 1.677 176.933 175.328 -0.119 0.000 1.071 26 H CA 2.363 58.335 56.048 -0.126 0.000 1.280 26 H CB -0.659 28.951 29.762 -0.253 0.000 1.370 26 H HN 0.240 nan 8.280 nan 0.000 0.490 27 F N 0.533 120.552 119.950 0.114 0.000 2.333 27 F HA -0.142 4.389 4.527 0.007 0.000 0.300 27 F C 2.726 178.621 175.800 0.157 0.000 1.083 27 F CA 1.101 59.203 58.000 0.170 0.000 1.395 27 F CB -0.295 38.813 39.000 0.180 0.000 1.056 27 F HN 0.327 nan 8.300 nan 0.000 0.529 28 S N 0.035 115.863 115.700 0.213 0.000 2.561 28 S HA -0.052 4.422 4.470 0.007 0.000 0.225 28 S C 1.749 176.417 174.600 0.112 0.000 0.977 28 S CA 0.128 58.438 58.200 0.184 0.000 0.926 28 S CB -0.415 62.883 63.200 0.163 0.000 0.769 28 S HN 0.397 nan 8.310 nan 0.000 0.533 29 R N -0.481 119.977 120.500 -0.070 0.000 2.236 29 R HA 0.161 4.505 4.340 0.007 0.000 0.208 29 R C -0.295 175.831 176.300 -0.289 0.000 1.036 29 R CA 0.436 56.392 56.100 -0.239 0.000 1.001 29 R CB -0.126 29.894 30.300 -0.467 0.000 0.896 29 R HN 0.500 nan 8.270 nan 0.000 0.464 30 Y N 0.673 120.956 120.300 -0.029 0.000 2.320 30 Y HA 0.118 4.672 4.550 0.007 0.000 0.324 30 Y C 0.819 176.745 175.900 0.044 0.000 1.190 30 Y CA -0.865 57.235 58.100 -0.001 0.000 1.215 30 Y CB 1.261 39.725 38.460 0.006 0.000 1.221 30 Y HN -0.078 nan 8.280 nan 0.000 0.486 31 S N 2.439 118.264 115.700 0.209 0.000 2.584 31 S HA 0.411 4.886 4.470 0.007 0.000 0.273 31 S C -2.695 171.996 174.600 0.151 0.000 1.311 31 S CA -1.575 56.718 58.200 0.156 0.000 1.034 31 S CB 0.840 64.109 63.200 0.115 0.000 0.939 31 S HN 0.346 nan 8.310 nan 0.000 0.513 32 P HA 0.124 nan 4.420 nan 0.000 0.267 32 P C -0.769 176.603 177.300 0.119 0.000 1.201 32 P CA 0.094 63.254 63.100 0.100 0.000 0.775 32 P CB 0.358 32.112 31.700 0.089 0.000 0.854 33 S N 3.606 119.397 115.700 0.152 0.000 2.520 33 S HA 0.393 4.867 4.470 0.007 0.000 0.324 33 S C -2.394 172.349 174.600 0.238 0.000 1.069 33 S CA -1.158 57.167 58.200 0.208 0.000 1.121 33 S CB 0.519 63.909 63.200 0.316 0.000 0.971 33 S HN 0.320 nan 8.310 nan 0.000 0.463 34 P HA 0.293 nan 4.420 nan 0.000 0.275 34 P C -0.803 176.570 177.300 0.123 0.000 1.227 34 P CA -0.347 62.831 63.100 0.130 0.000 0.781 34 P CB 0.559 32.304 31.700 0.076 0.000 0.906 35 L N 1.404 122.700 121.223 0.121 0.000 2.334 35 L HA 0.495 4.839 4.340 0.007 0.000 0.270 35 L C 1.035 177.958 176.870 0.088 0.000 1.018 35 L CA -0.770 54.120 54.840 0.084 0.000 0.811 35 L CB 1.675 43.787 42.059 0.087 0.000 1.271 35 L HN 0.424 nan 8.230 nan 0.000 0.443 36 S N 0.638 116.367 115.700 0.049 0.000 2.687 36 S HA 0.289 4.764 4.470 0.007 0.000 0.283 36 S C 0.713 175.289 174.600 -0.040 0.000 1.170 36 S CA -0.677 57.542 58.200 0.031 0.000 1.008 36 S CB 1.454 64.653 63.200 -0.001 0.000 1.026 36 S HN 0.746 nan 8.310 nan 0.000 0.541 37 M N 1.220 120.702 119.600 -0.198 0.000 2.159 37 M HA -0.047 4.438 4.480 0.007 0.000 0.263 37 M C 2.164 178.343 176.300 -0.201 0.000 1.063 37 M CA 1.722 56.808 55.300 -0.358 0.000 1.110 37 M CB -0.411 31.795 32.600 -0.657 0.000 1.374 37 M HN 0.922 nan 8.290 nan 0.000 0.411 38 K N -0.222 120.100 120.400 -0.129 0.000 2.044 38 K HA -0.262 4.063 4.320 0.007 0.000 0.210 38 K C 1.902 178.476 176.600 -0.043 0.000 1.049 38 K CA 2.186 58.429 56.287 -0.074 0.000 0.927 38 K CB -0.152 32.321 32.500 -0.044 0.000 0.713 38 K HN 0.520 nan 8.250 nan 0.000 0.443 39 Q N 0.185 119.969 119.800 -0.026 0.000 2.119 39 Q HA -0.114 4.231 4.340 0.007 0.000 0.201 39 Q C 2.235 178.268 176.000 0.056 0.000 0.972 39 Q CA 1.436 57.250 55.803 0.019 0.000 0.847 39 Q CB -0.037 28.709 28.738 0.014 0.000 0.903 39 Q HN 0.341 nan 8.270 nan 0.000 0.433 40 L N 0.285 121.473 121.223 -0.058 0.000 2.093 40 L HA -0.166 4.179 4.340 0.007 0.000 0.208 40 L C 2.118 178.912 176.870 -0.126 0.000 1.085 40 L CA 0.729 55.436 54.840 -0.221 0.000 0.755 40 L CB -0.269 41.605 42.059 -0.308 0.000 0.904 40 L HN 0.265 nan 8.230 nan 0.000 0.435 41 L N -0.205 120.964 121.223 -0.090 0.000 2.549 41 L HA -0.178 4.166 4.340 0.007 0.000 0.230 41 L C 1.165 178.044 176.870 0.015 0.000 1.162 41 L CA 0.689 55.494 54.840 -0.059 0.000 0.834 41 L CB -0.304 41.710 42.059 -0.076 0.000 0.947 41 L HN 0.348 nan 8.230 nan 0.000 0.452 42 D N -1.698 118.752 120.400 0.083 0.000 2.423 42 D HA -0.030 4.615 4.640 0.007 0.000 0.208 42 D C 1.767 178.201 176.300 0.224 0.000 1.068 42 D CA 0.130 54.200 54.000 0.117 0.000 0.860 42 D CB 0.125 40.974 40.800 0.081 0.000 0.992 42 D HN 0.026 nan 8.370 nan 0.000 0.504 43 F N 1.850 121.816 119.950 0.026 0.000 2.106 43 F HA -0.148 4.383 4.527 0.008 0.000 0.299 43 F C 2.393 178.216 175.800 0.038 0.000 1.082 43 F CA 1.658 59.715 58.000 0.095 0.000 1.244 43 F CB -0.721 38.340 39.000 0.101 0.000 0.997 43 F HN 0.083 nan 8.300 nan 0.000 0.486 44 G N -1.396 107.506 108.800 0.169 0.000 3.233 44 G HA2 0.169 4.134 3.960 0.007 0.000 0.234 44 G HA3 0.169 4.134 3.960 0.007 0.000 0.234 44 G C 0.575 175.472 174.900 -0.006 0.000 1.137 44 G CA 0.473 45.575 45.100 0.002 0.000 0.763 44 G HN 0.414 nan 8.290 nan 0.000 0.549 50 E N 3.280 123.286 120.200 -0.323 0.000 2.077 50 E HA -0.232 4.123 4.350 0.007 0.000 0.193 50 E C 2.176 178.538 176.600 -0.397 0.000 0.989 50 E CA 1.999 57.859 56.400 -0.901 0.000 0.800 50 E CB 0.069 29.255 29.700 -0.856 0.000 0.746 50 E HN 0.789 nan 8.360 nan 0.000 0.452 51 R N -0.312 120.060 120.500 -0.214 0.000 2.096 51 R HA -0.078 4.267 4.340 0.007 0.000 0.235 51 R C 2.005 178.285 176.300 -0.033 0.000 1.127 51 R CA 1.870 57.915 56.100 -0.092 0.000 0.968 51 R CB -0.686 29.572 30.300 -0.071 0.000 0.861 51 R HN 0.017 nan 8.270 nan 0.000 0.440 52 T N 0.511 115.015 114.554 -0.083 0.000 2.857 52 T HA -0.121 4.234 4.350 0.007 0.000 0.266 52 T C 1.932 176.566 174.700 -0.111 0.000 1.048 52 T CA 1.519 63.571 62.100 -0.081 0.000 1.139 52 T CB -0.211 68.602 68.868 -0.092 0.000 0.874 52 T HN 0.413 nan 8.240 nan 0.000 0.455 53 S N 0.720 116.303 115.700 -0.195 0.000 2.383 53 S HA -0.091 4.384 4.470 0.007 0.000 0.227 53 S C 1.787 176.375 174.600 -0.021 0.000 1.026 53 S CA 0.813 58.873 58.200 -0.233 0.000 0.981 53 S CB -0.557 62.438 63.200 -0.343 0.000 0.818 53 S HN 0.453 nan 8.310 nan 0.000 0.472 54 F N 2.518 122.327 119.950 -0.235 0.000 2.102 54 F HA 0.055 4.586 4.527 0.007 0.000 0.298 54 F C 2.323 177.838 175.800 -0.474 0.000 1.105 54 F CA 1.382 59.037 58.000 -0.576 0.000 1.239 54 F CB -1.067 37.587 39.000 -0.576 0.000 0.991 54 F HN 0.261 nan 8.300 nan 0.000 0.474 55 A N -0.093 122.513 122.820 -0.357 0.000 1.933 55 A HA -0.184 4.141 4.320 0.007 0.000 0.218 55 A C 2.237 179.647 177.584 -0.290 0.000 1.175 55 A CA 1.563 53.359 52.037 -0.402 0.000 0.628 55 A CB -1.632 17.279 19.000 -0.149 0.000 0.814 55 A HN 0.586 nan 8.150 nan 0.000 0.444 56 F N 0.400 120.189 119.950 -0.268 0.000 2.060 56 F HA -0.113 4.419 4.527 0.007 0.000 0.295 56 F C 1.972 177.679 175.800 -0.156 0.000 1.120 56 F CA 1.803 59.703 58.000 -0.168 0.000 1.205 56 F CB -0.147 38.804 39.000 -0.081 0.000 0.986 56 F HN 0.124 nan 8.300 nan 0.000 0.470 57 L N 0.812 121.958 121.223 -0.129 0.000 2.141 57 L HA -0.182 4.163 4.340 0.007 0.000 0.209 57 L C 2.614 179.364 176.870 -0.199 0.000 1.094 57 L CA 1.483 56.248 54.840 -0.126 0.000 0.763 57 L CB -0.776 41.393 42.059 0.184 0.000 0.908 57 L HN 0.244 nan 8.230 nan 0.000 0.437 58 R N -0.353 119.902 120.500 -0.407 0.000 2.193 58 R HA -0.161 4.183 4.340 0.007 0.000 0.229 58 R C 1.777 177.964 176.300 -0.187 0.000 1.110 58 R CA 1.024 56.930 56.100 -0.324 0.000 0.988 58 R CB -0.202 29.678 30.300 -0.700 0.000 0.871 58 R HN 0.405 nan 8.270 nan 0.000 0.458 59 Q N 0.444 120.033 119.800 -0.353 0.000 2.304 59 Q HA -0.024 4.320 4.340 0.007 0.000 0.204 59 Q C 1.673 177.481 176.000 -0.320 0.000 0.936 59 Q CA 1.061 56.678 55.803 -0.310 0.000 0.878 59 Q CB 0.115 28.638 28.738 -0.359 0.000 0.983 59 Q HN 0.329 nan 8.270 nan 0.000 0.516 60 E N 1.321 121.227 120.200 -0.491 0.000 2.106 60 E HA -0.056 4.298 4.350 0.007 0.000 0.192 60 E C 2.013 178.461 176.600 -0.253 0.000 0.984 60 E CA 0.709 56.823 56.400 -0.477 0.000 0.806 60 E CB -0.160 28.978 29.700 -0.937 0.000 0.750 60 E HN 0.207 nan 8.360 nan 0.000 0.458 61 L N 0.347 121.443 121.223 -0.211 0.000 1.994 61 L HA -0.078 4.267 4.340 0.007 0.000 0.208 61 L C -0.581 176.194 176.870 -0.160 0.000 1.071 61 L CA 1.343 56.098 54.840 -0.142 0.000 0.745 61 L CB -1.410 40.588 42.059 -0.103 0.000 0.892 61 L HN 0.171 nan 8.230 nan 0.000 0.431 62 P HA -0.173 nan 4.420 nan 0.000 0.216 62 P C 1.938 179.159 177.300 -0.131 0.000 1.153 62 P CA 1.302 64.218 63.100 -0.307 0.000 0.858 62 P CB 0.053 31.292 31.700 -0.768 0.000 0.789 63 V N -0.350 119.532 119.914 -0.053 0.000 2.295 63 V HA -0.244 3.880 4.120 0.007 0.000 0.246 63 V C 2.441 178.574 176.094 0.065 0.000 1.049 63 V CA 1.861 64.229 62.300 0.113 0.000 1.024 63 V CB -0.897 30.978 31.823 0.086 0.000 0.648 63 V HN 0.087 nan 8.190 nan 0.000 0.447 64 R N -0.570 119.922 120.500 -0.013 0.000 2.090 64 R HA -0.004 4.340 4.340 0.007 0.000 0.228 64 R C 2.302 178.568 176.300 -0.056 0.000 1.110 64 R CA 1.094 57.181 56.100 -0.022 0.000 0.973 64 R CB -0.366 29.900 30.300 -0.057 0.000 0.869 64 R HN 0.409 nan 8.270 nan 0.000 0.440 65 L N 0.253 121.412 121.223 -0.107 0.000 2.042 65 L HA -0.183 4.161 4.340 0.007 0.000 0.210 65 L C 2.675 179.549 176.870 0.007 0.000 1.076 65 L CA 1.418 56.173 54.840 -0.142 0.000 0.749 65 L CB -0.576 41.381 42.059 -0.171 0.000 0.893 65 L HN 0.244 nan 8.230 nan 0.000 0.432 66 A N -0.248 122.608 122.820 0.061 0.000 1.930 66 A HA -0.191 4.134 4.320 0.007 0.000 0.217 66 A C 2.092 179.740 177.584 0.107 0.000 1.175 66 A CA 1.593 53.703 52.037 0.122 0.000 0.627 66 A CB -0.622 18.516 19.000 0.229 0.000 0.815 66 A HN 0.456 nan 8.150 nan 0.000 0.443 67 N N -0.497 118.276 118.700 0.122 0.000 2.069 67 N HA -0.168 4.577 4.740 0.007 0.000 0.191 67 N C 1.632 177.202 175.510 0.100 0.000 1.031 67 N CA 1.777 54.918 53.050 0.151 0.000 0.852 67 N CB -0.223 38.370 38.487 0.178 0.000 1.018 67 N HN 0.439 nan 8.380 nan 0.000 0.423 68 I N 1.453 122.081 120.570 0.096 0.000 2.439 68 I HA -0.078 4.096 4.170 0.007 0.000 0.251 68 I C 2.054 178.270 176.117 0.166 0.000 1.139 68 I CA 0.637 62.026 61.300 0.148 0.000 1.438 68 I CB -0.097 38.001 38.000 0.163 0.000 1.085 68 I HN 0.070 nan 8.210 nan 0.000 0.427 69 L N -0.023 121.280 121.223 0.135 0.000 2.083 69 L HA -0.193 4.151 4.340 0.007 0.000 0.209 69 L C 2.438 179.274 176.870 -0.056 0.000 1.083 69 L CA 0.986 55.883 54.840 0.096 0.000 0.752 69 L CB -0.695 41.431 42.059 0.112 0.000 0.899 69 L HN 0.082 nan 8.230 nan 0.000 0.433 70 K N 0.282 120.576 120.400 -0.176 0.000 2.103 70 K HA -0.178 4.146 4.320 0.007 0.000 0.207 70 K C 1.878 178.125 176.600 -0.589 0.000 1.048 70 K CA 1.363 57.371 56.287 -0.465 0.000 0.930 70 K CB -0.253 31.748 32.500 -0.831 0.000 0.716 70 K HN 0.488 nan 8.250 nan 0.000 0.444 71 E N 0.409 120.371 120.200 -0.397 0.000 2.107 71 E HA -0.061 4.293 4.350 0.007 0.000 0.191 71 E C 2.182 178.702 176.600 -0.133 0.000 0.982 71 E CA 0.499 56.809 56.400 -0.150 0.000 0.809 71 E CB -0.126 29.734 29.700 0.267 0.000 0.756 71 E HN 0.247 nan 8.360 nan 0.000 0.459 72 I N 1.717 122.266 120.570 -0.034 0.000 2.208 72 I HA -0.260 3.914 4.170 0.007 0.000 0.245 72 I C 1.751 177.691 176.117 -0.295 0.000 1.097 72 I CA 1.091 62.275 61.300 -0.194 0.000 1.363 72 I CB -0.166 37.794 38.000 -0.068 0.000 1.051 72 I HN -0.019 nan 8.210 nan 0.000 0.413 73 D N 0.581 120.850 120.400 -0.219 0.000 2.309 73 D HA -0.101 4.544 4.640 0.007 0.000 0.212 73 D C 2.012 178.183 176.300 -0.214 0.000 0.968 73 D CA 1.019 54.901 54.000 -0.197 0.000 0.882 73 D CB 0.009 40.724 40.800 -0.142 0.000 0.918 73 D HN 0.376 nan 8.370 nan 0.000 0.503 74 I N -0.084 120.316 120.570 -0.283 0.000 3.226 74 I HA -0.010 4.165 4.170 0.007 0.000 0.277 74 I C 0.959 176.856 176.117 -0.367 0.000 1.243 74 I CA -0.037 61.086 61.300 -0.294 0.000 1.459 74 I CB -0.035 37.708 38.000 -0.429 0.000 1.093 74 I HN -0.094 nan 8.210 nan 0.000 0.453 75 L N 2.146 123.091 121.223 -0.464 0.000 2.489 75 L HA 0.025 4.369 4.340 0.007 0.000 0.285 75 L C -1.901 174.765 176.870 -0.339 0.000 1.259 75 L CA -1.274 53.275 54.840 -0.485 0.000 0.828 75 L CB -0.649 41.002 42.059 -0.680 0.000 1.094 75 L HN -0.141 nan 8.230 nan 0.000 0.524 76 P HA -0.014 nan 4.420 nan 0.000 0.264 76 P C 0.563 177.699 177.300 -0.274 0.000 1.193 76 P CA 0.138 63.103 63.100 -0.225 0.000 0.763 76 P CB 0.493 32.081 31.700 -0.187 0.000 0.810 77 T N 1.925 116.373 114.554 -0.176 0.000 2.680 77 T HA -0.275 4.080 4.350 0.007 0.000 0.268 77 T C 1.474 176.068 174.700 -0.175 0.000 1.033 77 T CA 1.776 63.784 62.100 -0.154 0.000 1.152 77 T CB -0.471 68.344 68.868 -0.089 0.000 0.859 77 T HN 0.565 nan 8.240 nan 0.000 0.452 78 Q N -0.195 119.513 119.800 -0.153 0.000 2.369 78 Q HA 0.171 4.516 4.340 0.007 0.000 0.206 78 Q C 2.110 177.929 176.000 -0.301 0.000 0.963 78 Q CA 0.456 56.191 55.803 -0.114 0.000 0.894 78 Q CB -0.111 28.674 28.738 0.079 0.000 0.965 78 Q HN 0.363 nan 8.270 nan 0.000 0.475 79 L N -0.972 119.873 121.223 -0.631 0.000 2.168 79 L HA -0.013 4.331 4.340 0.007 0.000 0.203 79 L C 1.764 178.361 176.870 -0.455 0.000 1.078 79 L CA 1.080 55.465 54.840 -0.758 0.000 0.780 79 L CB -0.130 41.234 42.059 -1.158 0.000 0.939 79 L HN -0.036 nan 8.230 nan 0.000 0.451 80 V N 0.501 120.173 119.914 -0.404 0.000 2.515 80 V HA -0.175 3.949 4.120 0.007 0.000 0.250 80 V C 1.764 177.706 176.094 -0.253 0.000 1.058 80 V CA 1.583 63.683 62.300 -0.334 0.000 1.064 80 V CB -1.083 30.558 31.823 -0.303 0.000 0.675 80 V HN 0.503 nan 8.190 nan 0.000 0.461 81 N N 0.503 119.076 118.700 -0.211 0.000 2.521 81 N HA -0.018 4.726 4.740 0.007 0.000 0.188 81 N C 0.933 176.356 175.510 -0.145 0.000 1.146 81 N CA 0.640 53.595 53.050 -0.158 0.000 0.893 81 N CB -0.316 38.100 38.487 -0.118 0.000 0.975 81 N HN 0.729 nan 8.380 nan 0.000 0.451 82 T N -1.691 112.761 114.554 -0.171 0.000 2.926 82 T HA 0.056 4.410 4.350 0.007 0.000 0.307 82 T C 1.628 176.238 174.700 -0.149 0.000 1.059 82 T CA -0.202 61.816 62.100 -0.136 0.000 1.122 82 T CB 1.118 69.906 68.868 -0.133 0.000 0.972 82 T HN 0.172 nan 8.240 nan 0.000 0.545 83 S N 1.886 117.514 115.700 -0.119 0.000 2.400 83 S HA -0.162 4.312 4.470 0.007 0.000 0.232 83 S C 2.085 176.570 174.600 -0.192 0.000 1.025 83 S CA 1.176 59.295 58.200 -0.135 0.000 0.993 83 S CB -1.056 62.089 63.200 -0.092 0.000 0.808 83 S HN 0.710 nan 8.310 nan 0.000 0.478 84 S N 1.434 117.027 115.700 -0.179 0.000 2.368 84 S HA -0.003 4.472 4.470 0.007 0.000 0.224 84 S C 1.935 176.345 174.600 -0.316 0.000 1.029 84 S CA 1.250 59.317 58.200 -0.222 0.000 0.988 84 S CB -0.546 62.565 63.200 -0.147 0.000 0.838 84 S HN 0.454 nan 8.310 nan 0.000 0.462 85 V N 1.810 121.548 119.914 -0.294 0.000 2.488 85 V HA -0.082 4.042 4.120 0.007 0.000 0.246 85 V C 2.556 178.438 176.094 -0.354 0.000 1.046 85 V CA 1.181 63.272 62.300 -0.348 0.000 1.053 85 V CB -0.567 31.044 31.823 -0.353 0.000 0.679 85 V HN 0.370 nan 8.190 nan 0.000 0.458 86 Q N -0.233 119.384 119.800 -0.305 0.000 2.124 86 Q HA -0.108 4.236 4.340 0.007 0.000 0.202 86 Q C 2.262 178.038 176.000 -0.373 0.000 0.977 86 Q CA 1.499 57.135 55.803 -0.278 0.000 0.850 86 Q CB -0.317 28.297 28.738 -0.206 0.000 0.901 86 Q HN 0.545 nan 8.270 nan 0.000 0.429 87 L N -0.515 120.403 121.223 -0.509 0.000 2.005 87 L HA -0.163 4.181 4.340 0.007 0.000 0.207 87 L C 2.434 178.548 176.870 -1.261 0.000 1.072 87 L CA 0.764 55.076 54.840 -0.881 0.000 0.744 87 L CB -0.537 40.937 42.059 -0.976 0.000 0.895 87 L HN 0.008 nan 8.230 nan 0.000 0.433 88 V N 0.170 119.486 119.914 -0.997 0.000 2.287 88 V HA -0.367 3.758 4.120 0.007 0.000 0.248 88 V C 2.562 178.357 176.094 -0.500 0.000 1.053 88 V CA 2.112 63.987 62.300 -0.708 0.000 1.027 88 V CB -0.642 30.887 31.823 -0.491 0.000 0.646 88 V HN 0.469 nan 8.190 nan 0.000 0.447 89 K N 0.616 120.785 120.400 -0.385 0.000 2.026 89 K HA -0.227 4.098 4.320 0.007 0.000 0.208 89 K C 2.486 179.041 176.600 -0.074 0.000 1.048 89 K CA 2.004 58.178 56.287 -0.188 0.000 0.929 89 K CB -0.329 32.068 32.500 -0.173 0.000 0.713 89 K HN 0.594 nan 8.250 nan 0.000 0.439 90 S N -0.107 115.503 115.700 -0.150 0.000 2.383 90 S HA -0.160 4.315 4.470 0.007 0.000 0.229 90 S C 1.828 176.527 174.600 0.165 0.000 1.030 90 S CA 0.951 59.132 58.200 -0.031 0.000 1.002 90 S CB -0.635 62.514 63.200 -0.085 0.000 0.829 90 S HN 0.448 nan 8.310 nan 0.000 0.467 91 W N 0.771 122.115 121.300 0.073 0.000 2.354 91 W HA 0.068 4.733 4.660 0.007 0.000 0.315 91 W C 2.363 179.078 176.519 0.328 0.000 1.206 91 W CA 0.250 57.702 57.345 0.177 0.000 1.290 91 W CB -1.702 27.852 29.460 0.157 0.000 1.152 91 W HN 0.316 nan 8.180 nan 0.000 0.489 92 Y N 0.081 120.529 120.300 0.246 0.000 2.165 92 Y HA -0.183 4.371 4.550 0.007 0.000 0.286 92 Y C 2.477 178.466 175.900 0.148 0.000 1.155 92 Y CA 0.728 58.919 58.100 0.150 0.000 1.164 92 Y CB -1.412 37.087 38.460 0.065 0.000 0.978 92 Y HN -0.075 nan 8.280 nan 0.000 0.513 93 I N -0.713 120.029 120.570 0.286 0.000 2.252 93 I HA -0.293 3.881 4.170 0.007 0.000 0.245 93 I C 2.486 178.698 176.117 0.158 0.000 1.102 93 I CA 1.305 62.710 61.300 0.175 0.000 1.385 93 I CB -0.275 37.799 38.000 0.123 0.000 1.064 93 I HN 0.106 nan 8.210 nan 0.000 0.414 94 Q N 0.892 120.808 119.800 0.194 0.000 2.061 94 Q HA -0.183 4.161 4.340 0.007 0.000 0.204 94 Q C 2.254 178.339 176.000 0.140 0.000 0.984 94 Q CA 2.328 58.228 55.803 0.162 0.000 0.846 94 Q CB -0.255 28.595 28.738 0.188 0.000 0.902 94 Q HN 0.365 nan 8.270 nan 0.000 0.421 95 S N 0.206 116.025 115.700 0.198 0.000 2.368 95 S HA -0.143 4.331 4.470 0.007 0.000 0.225 95 S C 1.795 176.422 174.600 0.045 0.000 1.030 95 S CA 1.148 59.418 58.200 0.117 0.000 0.999 95 S CB -0.511 62.807 63.200 0.196 0.000 0.844 95 S HN 0.502 nan 8.310 nan 0.000 0.459 96 L N 1.164 122.415 121.223 0.046 0.000 2.012 96 L HA -0.171 4.173 4.340 0.007 0.000 0.210 96 L C 2.256 179.095 176.870 -0.052 0.000 1.073 96 L CA 1.461 56.281 54.840 -0.034 0.000 0.748 96 L CB -0.321 41.733 42.059 -0.009 0.000 0.891 96 L HN 0.245 nan 8.230 nan 0.000 0.431 97 M N -0.706 118.897 119.600 0.005 0.000 2.086 97 M HA -0.212 4.273 4.480 0.007 0.000 0.261 97 M C 1.984 178.287 176.300 0.006 0.000 1.067 97 M CA 1.544 56.843 55.300 -0.001 0.000 1.116 97 M CB -1.533 31.085 32.600 0.029 0.000 1.348 97 M HN 0.263 nan 8.290 nan 0.000 0.407 98 D N 0.646 121.071 120.400 0.043 0.000 2.116 98 D HA -0.143 4.501 4.640 0.007 0.000 0.193 98 D C 2.265 178.690 176.300 0.209 0.000 0.998 98 D CA 1.257 55.315 54.000 0.097 0.000 0.836 98 D CB -0.307 40.542 40.800 0.082 0.000 0.951 98 D HN 0.340 nan 8.370 nan 0.000 0.449 99 L N -0.088 121.213 121.223 0.131 0.000 2.095 99 L HA -0.076 4.268 4.340 0.007 0.000 0.204 99 L C 2.515 179.438 176.870 0.089 0.000 1.080 99 L CA 0.344 55.299 54.840 0.191 0.000 0.759 99 L CB -0.240 41.831 42.059 0.020 0.000 0.914 99 L HN -0.086 nan 8.230 nan 0.000 0.439 100 V N -0.104 119.686 119.914 -0.208 0.000 2.490 100 V HA -0.260 3.864 4.120 0.007 0.000 0.250 100 V C 2.292 178.223 176.094 -0.272 0.000 1.061 100 V CA 1.550 63.500 62.300 -0.584 0.000 1.064 100 V CB -0.473 31.069 31.823 -0.470 0.000 0.670 100 V HN 0.438 nan 8.190 nan 0.000 0.461 101 E N -0.423 119.724 120.200 -0.089 0.000 2.219 101 E HA -0.233 4.122 4.350 0.007 0.000 0.198 101 E C 1.736 178.239 176.600 -0.162 0.000 0.998 101 E CA 1.367 57.698 56.400 -0.115 0.000 0.818 101 E CB -0.175 29.428 29.700 -0.161 0.000 0.741 101 E HN 0.677 nan 8.360 nan 0.000 0.477 102 F N -0.749 119.270 119.950 0.114 0.000 2.811 102 F HA -0.009 4.523 4.527 0.007 0.000 0.301 102 F C 1.695 177.629 175.800 0.223 0.000 1.151 102 F CA 0.456 58.587 58.000 0.218 0.000 1.412 102 F CB 0.077 39.264 39.000 0.312 0.000 1.113 102 F HN 0.062 nan 8.300 nan 0.000 0.579 103 H N 0.245 119.379 119.070 0.105 0.000 2.491 103 H HA -0.101 4.459 4.556 0.007 0.000 0.290 103 H C 1.936 177.296 175.328 0.054 0.000 1.050 103 H CA 1.387 57.464 56.048 0.048 0.000 1.309 103 H CB -0.342 29.457 29.762 0.063 0.000 1.392 103 H HN 0.491 nan 8.280 nan 0.000 0.554 104 E N 0.115 120.417 120.200 0.170 0.000 2.442 104 E HA 0.008 4.363 4.350 0.007 0.000 0.195 104 E C 0.181 176.844 176.600 0.104 0.000 1.030 104 E CA 0.022 56.483 56.400 0.103 0.000 0.869 104 E CB 0.324 30.060 29.700 0.060 0.000 0.857 104 E HN 0.018 nan 8.360 nan 0.000 0.505 105 K N 1.681 122.179 120.400 0.164 0.000 2.202 105 K HA 0.159 4.483 4.320 0.007 0.000 0.264 105 K C -0.017 176.698 176.600 0.191 0.000 1.010 105 K CA -0.240 56.154 56.287 0.178 0.000 0.940 105 K CB 1.556 34.211 32.500 0.257 0.000 0.983 105 K HN 0.002 nan 8.250 nan 0.000 0.475 106 S N 1.789 117.554 115.700 0.109 0.000 2.545 106 S HA 0.216 4.690 4.470 0.007 0.000 0.275 106 S C -1.786 172.849 174.600 0.059 0.000 1.299 106 S CA -1.416 56.833 58.200 0.082 0.000 1.048 106 S CB 0.721 63.938 63.200 0.029 0.000 0.938 106 S HN 0.216 nan 8.310 nan 0.000 0.496 107 P HA 0.042 nan 4.420 nan 0.000 0.230 107 P C 0.235 177.468 177.300 -0.111 0.000 1.158 107 P CA 0.623 63.723 63.100 -0.001 0.000 0.769 107 P CB 0.095 31.882 31.700 0.145 0.000 0.807 108 D N -1.021 119.345 120.400 -0.057 0.000 2.349 108 D HA -0.043 4.601 4.640 0.007 0.000 0.224 108 D C 0.214 176.471 176.300 -0.072 0.000 1.029 108 D CA 0.732 54.696 54.000 -0.059 0.000 0.879 108 D CB -0.255 40.527 40.800 -0.029 0.000 0.906 108 D HN 0.164 nan 8.370 nan 0.000 0.528 109 D N 0.883 121.227 120.400 -0.094 0.000 2.380 109 D HA 0.013 4.657 4.640 0.007 0.000 0.230 109 D C 1.120 177.347 176.300 -0.122 0.000 1.154 109 D CA -0.208 53.742 54.000 -0.082 0.000 0.859 109 D CB 1.371 42.138 40.800 -0.055 0.000 1.045 109 D HN -0.255 nan 8.370 nan 0.000 0.495 110 Q N 3.598 123.347 119.800 -0.085 0.000 2.119 110 Q HA -0.100 4.245 4.340 0.007 0.000 0.201 110 Q C 1.671 177.636 176.000 -0.058 0.000 0.972 110 Q CA 1.299 57.054 55.803 -0.081 0.000 0.847 110 Q CB 0.090 28.798 28.738 -0.049 0.000 0.903 110 Q HN 0.446 nan 8.270 nan 0.000 0.433 111 K N -0.756 119.625 120.400 -0.031 0.000 2.147 111 K HA -0.106 4.219 4.320 0.007 0.000 0.205 111 K C 1.721 178.335 176.600 0.023 0.000 1.049 111 K CA 1.105 57.392 56.287 0.000 0.000 0.936 111 K CB -0.110 32.395 32.500 0.009 0.000 0.722 111 K HN 0.261 nan 8.250 nan 0.000 0.446 112 A N 1.309 124.122 122.820 -0.013 0.000 1.898 112 A HA -0.094 4.230 4.320 0.007 0.000 0.216 112 A C 2.129 179.678 177.584 -0.057 0.000 1.181 112 A CA 0.973 53.039 52.037 0.049 0.000 0.620 112 A CB -0.455 18.526 19.000 -0.033 0.000 0.819 112 A HN 0.266 nan 8.150 nan 0.000 0.442 113 L N -0.871 120.185 121.223 -0.278 0.000 2.046 113 L HA -0.158 4.186 4.340 0.007 0.000 0.208 113 L C 2.920 179.780 176.870 -0.017 0.000 1.077 113 L CA 1.506 56.161 54.840 -0.307 0.000 0.747 113 L CB -0.511 41.367 42.059 -0.301 0.000 0.896 113 L HN 0.482 nan 8.230 nan 0.000 0.432 114 S N -0.209 115.498 115.700 0.012 0.000 2.348 114 S HA -0.215 4.260 4.470 0.007 0.000 0.221 114 S C 1.648 176.311 174.600 0.105 0.000 1.033 114 S CA 1.692 59.929 58.200 0.062 0.000 1.010 114 S CB -0.212 63.014 63.200 0.043 0.000 0.891 114 S HN 0.395 nan 8.310 nan 0.000 0.442 115 D N 0.197 120.692 120.400 0.159 0.000 2.149 115 D HA -0.091 4.554 4.640 0.007 0.000 0.198 115 D C 1.528 177.988 176.300 0.267 0.000 0.990 115 D CA 0.868 55.024 54.000 0.261 0.000 0.839 115 D CB -0.459 40.567 40.800 0.376 0.000 0.948 115 D HN 0.472 nan 8.370 nan 0.000 0.460 116 F N 1.232 121.134 119.950 -0.078 0.000 2.102 116 F HA -0.203 4.329 4.527 0.007 0.000 0.298 116 F C 2.249 177.927 175.800 -0.203 0.000 1.105 116 F CA 0.930 58.624 58.000 -0.510 0.000 1.239 116 F CB -0.404 38.289 39.000 -0.511 0.000 0.991 116 F HN -0.214 nan 8.300 nan 0.000 0.474 117 V N 0.544 120.459 119.914 0.000 0.000 2.282 117 V HA -0.348 3.777 4.120 0.007 0.000 0.249 117 V C 2.128 178.179 176.094 -0.071 0.000 1.057 117 V CA 2.354 64.662 62.300 0.014 0.000 1.032 117 V CB -0.725 31.191 31.823 0.156 0.000 0.645 117 V HN 0.291 nan 8.190 nan 0.000 0.447 118 D N -0.424 119.963 120.400 -0.022 0.000 2.144 118 D HA -0.129 4.516 4.640 0.007 0.000 0.199 118 D C 2.295 178.560 176.300 -0.059 0.000 0.984 118 D CA 1.736 55.726 54.000 -0.016 0.000 0.834 118 D CB -0.374 40.446 40.800 0.033 0.000 0.955 118 D HN 0.402 nan 8.370 nan 0.000 0.465 119 T N 0.886 115.387 114.554 -0.089 0.000 2.746 119 T HA -0.054 4.300 4.350 0.007 0.000 0.267 119 T C 2.154 176.702 174.700 -0.253 0.000 1.039 119 T CA 0.556 62.584 62.100 -0.120 0.000 1.142 119 T CB -0.167 68.675 68.868 -0.043 0.000 0.866 119 T HN 0.142 nan 8.240 nan 0.000 0.444 120 L N 0.203 121.185 121.223 -0.401 0.000 2.141 120 L HA 0.011 4.356 4.340 0.007 0.000 0.209 120 L C 2.412 179.158 176.870 -0.205 0.000 1.094 120 L CA 0.995 55.621 54.840 -0.357 0.000 0.763 120 L CB -0.617 41.202 42.059 -0.399 0.000 0.908 120 L HN 0.266 nan 8.230 nan 0.000 0.437 121 I N 0.175 120.658 120.570 -0.144 0.000 2.179 121 I HA -0.328 3.846 4.170 0.007 0.000 0.242 121 I C 2.753 178.803 176.117 -0.113 0.000 1.088 121 I CA 1.433 62.675 61.300 -0.098 0.000 1.357 121 I CB -0.279 37.685 38.000 -0.061 0.000 1.051 121 I HN 0.256 nan 8.210 nan 0.000 0.409 122 K N 0.839 121.172 120.400 -0.113 0.000 2.063 122 K HA -0.175 4.150 4.320 0.007 0.000 0.208 122 K C 2.082 178.583 176.600 -0.165 0.000 1.048 122 K CA 1.521 57.742 56.287 -0.111 0.000 0.928 122 K CB 0.009 32.465 32.500 -0.073 0.000 0.713 122 K HN 0.098 nan 8.250 nan 0.000 0.442 123 V N 1.272 121.052 119.914 -0.223 0.000 2.307 123 V HA -0.231 3.893 4.120 0.007 0.000 0.245 123 V C 2.555 178.372 176.094 -0.461 0.000 1.045 123 V CA 2.091 64.158 62.300 -0.389 0.000 1.024 123 V CB -0.576 31.005 31.823 -0.403 0.000 0.651 123 V HN 0.422 nan 8.190 nan 0.000 0.449 124 R N 0.441 120.778 120.500 -0.272 0.000 2.083 124 R HA -0.211 4.133 4.340 0.007 0.000 0.237 124 R C 2.191 178.440 176.300 -0.086 0.000 1.137 124 R CA 2.256 58.266 56.100 -0.150 0.000 0.951 124 R CB -0.340 29.912 30.300 -0.081 0.000 0.851 124 R HN 0.514 nan 8.270 nan 0.000 0.434 125 N N 0.543 119.176 118.700 -0.113 0.000 2.120 125 N HA -0.198 4.547 4.740 0.007 0.000 0.188 125 N C 1.736 177.169 175.510 -0.128 0.000 1.024 125 N CA 1.356 54.340 53.050 -0.110 0.000 0.852 125 N CB -0.404 38.007 38.487 -0.126 0.000 1.003 125 N HN 0.309 nan 8.380 nan 0.000 0.424 126 R N 0.355 120.744 120.500 -0.185 0.000 2.096 126 R HA -0.060 4.284 4.340 0.007 0.000 0.235 126 R C 1.102 177.232 176.300 -0.284 0.000 1.127 126 R CA 1.377 57.304 56.100 -0.288 0.000 0.968 126 R CB -0.182 29.999 30.300 -0.198 0.000 0.861 126 R HN 0.516 nan 8.270 nan 0.000 0.440 127 H N -2.010 116.952 119.070 -0.179 0.000 2.539 127 H HA -0.035 4.526 4.556 0.008 0.000 0.269 127 H C 1.251 176.575 175.328 -0.007 0.000 0.980 127 H CA 0.094 56.124 56.048 -0.031 0.000 1.152 127 H CB 0.254 30.087 29.762 0.119 0.000 1.407 127 H HN 0.380 nan 8.280 nan 0.000 0.564 128 H N 1.739 120.790 119.070 -0.031 0.000 2.319 128 H HA -0.095 4.466 4.556 0.008 0.000 0.297 128 H C 1.291 176.632 175.328 0.021 0.000 1.097 128 H CA 1.474 57.514 56.048 -0.012 0.000 1.285 128 H CB 0.191 29.920 29.762 -0.055 0.000 1.368 128 H HN 0.202 nan 8.280 nan 0.000 0.495 129 N N 0.285 118.959 118.700 -0.044 0.000 2.295 129 N HA 0.002 4.746 4.740 0.007 0.000 0.221 129 N C 1.351 176.976 175.510 0.192 0.000 1.129 129 N CA 0.302 53.354 53.050 0.003 0.000 0.836 129 N CB 0.667 39.205 38.487 0.084 0.000 1.040 129 N HN 0.200 nan 8.380 nan 0.000 0.494 130 V N 0.252 120.314 119.914 0.247 0.000 2.282 130 V HA -0.225 3.900 4.120 0.007 0.000 0.249 130 V C 2.333 178.623 176.094 0.326 0.000 1.057 130 V CA 1.479 64.006 62.300 0.378 0.000 1.032 130 V CB -0.258 31.766 31.823 0.334 0.000 0.645 130 V HN 0.108 nan 8.190 nan 0.000 0.447 131 V N 0.038 120.094 119.914 0.238 0.000 2.270 131 V HA -0.132 3.992 4.120 0.007 0.000 0.245 131 V C 0.184 176.360 176.094 0.138 0.000 1.043 131 V CA 2.518 64.977 62.300 0.266 0.000 1.014 131 V CB -1.719 30.144 31.823 0.067 0.000 0.645 131 V HN 0.519 nan 8.190 nan 0.000 0.447 132 P HA -0.115 nan 4.420 nan 0.000 0.215 132 P C 1.791 179.085 177.300 -0.010 0.000 1.153 132 P CA 1.711 64.769 63.100 -0.071 0.000 0.853 132 P CB -0.207 31.449 31.700 -0.072 0.000 0.788 133 T N -0.617 113.986 114.554 0.081 0.000 2.708 133 T HA -0.187 4.167 4.350 0.007 0.000 0.266 133 T C 1.749 176.448 174.700 -0.001 0.000 1.037 133 T CA 1.693 63.830 62.100 0.061 0.000 1.146 133 T CB -0.752 68.206 68.868 0.149 0.000 0.865 133 T HN 0.043 nan 8.240 nan 0.000 0.435 134 M N 2.127 121.753 119.600 0.043 0.000 2.080 134 M HA 0.023 4.507 4.480 0.007 0.000 0.260 134 M C 2.362 178.689 176.300 0.046 0.000 1.068 134 M CA 1.726 57.008 55.300 -0.031 0.000 1.109 134 M CB -1.032 31.539 32.600 -0.048 0.000 1.342 134 M HN 0.202 nan 8.290 nan 0.000 0.405 135 A N -0.201 122.700 122.820 0.135 0.000 1.873 135 A HA -0.262 4.063 4.320 0.007 0.000 0.218 135 A C 2.134 179.726 177.584 0.013 0.000 1.193 135 A CA 2.067 54.149 52.037 0.075 0.000 0.629 135 A CB -1.035 17.823 19.000 -0.238 0.000 0.826 135 A HN 0.684 nan 8.150 nan 0.000 0.447 136 Q N -0.843 118.934 119.800 -0.039 0.000 2.096 136 Q HA -0.206 4.139 4.340 0.007 0.000 0.208 136 Q C 2.256 178.260 176.000 0.007 0.000 0.993 136 Q CA 1.895 57.688 55.803 -0.018 0.000 0.862 136 Q CB -0.945 27.777 28.738 -0.027 0.000 0.915 136 Q HN 0.700 nan 8.270 nan 0.000 0.416 137 G N 1.002 109.789 108.800 -0.022 0.000 2.418 137 G HA2 -0.209 3.756 3.960 0.007 0.000 0.217 137 G HA3 -0.209 3.756 3.960 0.007 0.000 0.217 137 G C 1.486 176.399 174.900 0.022 0.000 1.158 137 G CA 0.507 45.582 45.100 -0.042 0.000 0.771 137 G HN 0.232 nan 8.290 nan 0.000 0.545 138 I N 0.895 121.499 120.570 0.056 0.000 2.286 138 I HA -0.104 4.071 4.170 0.007 0.000 0.248 138 I C 2.754 178.985 176.117 0.190 0.000 1.115 138 I CA 0.962 62.353 61.300 0.151 0.000 1.392 138 I CB -0.749 37.373 38.000 0.202 0.000 1.065 138 I HN 0.193 nan 8.210 nan 0.000 0.418 139 I N 0.676 121.335 120.570 0.149 0.000 2.202 139 I HA -0.267 3.908 4.170 0.007 0.000 0.242 139 I C 2.453 178.638 176.117 0.113 0.000 1.091 139 I CA 1.187 62.571 61.300 0.139 0.000 1.368 139 I CB -0.303 37.779 38.000 0.137 0.000 1.058 139 I HN 0.228 nan 8.210 nan 0.000 0.410 140 E N 0.161 120.420 120.200 0.098 0.000 2.038 140 E HA -0.309 4.046 4.350 0.007 0.000 0.195 140 E C 2.122 178.799 176.600 0.128 0.000 1.000 140 E CA 1.868 58.319 56.400 0.084 0.000 0.803 140 E CB -0.455 29.278 29.700 0.055 0.000 0.750 140 E HN 0.522 nan 8.360 nan 0.000 0.448 141 Y N 1.991 122.285 120.300 -0.009 0.000 2.030 141 Y HA -0.411 4.144 4.550 0.009 0.000 0.272 141 Y C 2.673 178.578 175.900 0.009 0.000 1.185 141 Y CA 2.142 60.235 58.100 -0.012 0.000 1.120 141 Y CB -0.023 38.422 38.460 -0.025 0.000 0.955 141 Y HN -0.071 nan 8.280 nan 0.000 0.495 142 K N 0.198 120.587 120.400 -0.019 0.000 2.015 142 K HA -0.267 4.058 4.320 0.007 0.000 0.216 142 K C 1.527 178.090 176.600 -0.062 0.000 1.052 142 K CA 2.346 58.585 56.287 -0.080 0.000 0.937 142 K CB -0.364 32.154 32.500 0.031 0.000 0.719 142 K HN 0.356 nan 8.250 nan 0.000 0.446 143 D N -0.226 120.172 120.400 -0.003 0.000 2.264 143 D HA -0.112 4.533 4.640 0.007 0.000 0.208 143 D C 1.538 177.830 176.300 -0.013 0.000 0.966 143 D CA 1.300 55.300 54.000 -0.000 0.000 0.864 143 D CB 0.053 40.866 40.800 0.022 0.000 0.933 143 D HN 0.455 nan 8.370 nan 0.000 0.499 144 A N -0.994 121.817 122.820 -0.015 0.000 2.115 144 A HA 0.175 4.499 4.320 0.007 0.000 0.211 144 A C 1.848 179.401 177.584 -0.052 0.000 1.169 144 A CA 0.389 52.419 52.037 -0.011 0.000 0.787 144 A CB 0.314 19.334 19.000 0.033 0.000 0.858 144 A HN 0.320 nan 8.150 nan 0.000 0.474 145 C N -2.789 116.421 119.300 -0.150 0.000 3.310 145 C HA 0.337 4.801 4.460 0.007 0.000 0.137 145 C C 1.323 176.142 174.990 -0.286 0.000 2.665 145 C CA 0.708 59.590 59.018 -0.226 0.000 0.894 145 C CB -0.069 27.477 27.740 -0.322 0.000 1.354 145 C HN 0.541 nan 8.230 nan 0.000 0.683 150 V N 1.600 121.606 119.914 0.155 0.000 3.354 150 V HA 0.043 4.167 4.120 0.007 0.000 0.258 150 V C 1.718 177.883 176.094 0.117 0.000 1.159 150 V CA 2.171 64.570 62.300 0.165 0.000 1.125 150 V CB 0.016 31.963 31.823 0.206 0.000 0.774 150 V HN 0.654 nan 8.190 nan 0.000 0.464 151 T N -3.453 111.158 114.554 0.096 0.000 3.044 151 T HA 0.139 4.493 4.350 0.007 0.000 0.260 151 T C 0.586 175.331 174.700 0.074 0.000 1.019 151 T CA -0.106 62.036 62.100 0.070 0.000 0.921 151 T CB -0.446 68.453 68.868 0.052 0.000 1.053 151 T HN 0.365 nan 8.240 nan 0.000 0.533 152 N N 1.501 120.260 118.700 0.098 0.000 2.521 152 N HA 0.204 4.949 4.740 0.007 0.000 0.236 152 N C 1.162 176.756 175.510 0.140 0.000 1.067 152 N CA -0.335 52.783 53.050 0.113 0.000 0.939 152 N CB 0.606 39.174 38.487 0.136 0.000 1.201 152 N HN 0.201 nan 8.380 nan 0.000 0.511 153 Q N 1.381 121.249 119.800 0.114 0.000 2.224 153 Q HA -0.105 4.239 4.340 0.007 0.000 0.203 153 Q C 0.981 177.083 176.000 0.170 0.000 0.970 153 Q CA 1.051 56.928 55.803 0.123 0.000 0.865 153 Q CB 0.166 28.946 28.738 0.070 0.000 0.922 153 Q HN 0.624 nan 8.270 nan 0.000 0.445 154 N N 0.463 119.270 118.700 0.178 0.000 2.216 154 N HA -0.110 4.634 4.740 0.007 0.000 0.183 154 N C 1.558 177.302 175.510 0.392 0.000 1.017 154 N CA 0.659 53.877 53.050 0.280 0.000 0.861 154 N CB -0.161 38.499 38.487 0.288 0.000 0.986 154 N HN 0.191 nan 8.380 nan 0.000 0.428 155 L N 0.803 122.202 121.223 0.293 0.000 2.046 155 L HA -0.232 4.113 4.340 0.007 0.000 0.208 155 L C 2.380 179.439 176.870 0.314 0.000 1.077 155 L CA 1.418 56.432 54.840 0.291 0.000 0.747 155 L CB -0.160 42.041 42.059 0.237 0.000 0.896 155 L HN 0.120 nan 8.230 nan 0.000 0.432 156 Q N -1.057 118.924 119.800 0.302 0.000 2.084 156 Q HA -0.302 4.042 4.340 0.007 0.000 0.202 156 Q C 2.006 178.195 176.000 0.315 0.000 0.978 156 Q CA 2.227 58.232 55.803 0.337 0.000 0.844 156 Q CB -0.608 28.301 28.738 0.286 0.000 0.898 156 Q HN 0.618 nan 8.270 nan 0.000 0.426 157 Y N -0.137 120.259 120.300 0.160 0.000 2.145 157 Y HA -0.238 4.316 4.550 0.006 0.000 0.286 157 Y C 1.883 177.848 175.900 0.109 0.000 1.145 157 Y CA 1.946 60.092 58.100 0.077 0.000 1.148 157 Y CB -0.701 37.744 38.460 -0.024 0.000 0.981 157 Y HN 0.300 nan 8.280 nan 0.000 0.507 158 F N 0.170 120.211 119.950 0.152 0.000 2.102 158 F HA -0.229 4.301 4.527 0.005 0.000 0.298 158 F C 1.889 177.636 175.800 -0.088 0.000 1.105 158 F CA 1.831 59.889 58.000 0.097 0.000 1.239 158 F CB -0.673 38.418 39.000 0.152 0.000 0.991 158 F HN 0.070 nan 8.300 nan 0.000 0.474 159 L N -0.142 120.931 121.223 -0.250 0.000 2.109 159 L HA -0.177 4.168 4.340 0.007 0.000 0.207 159 L C 2.192 178.764 176.870 -0.498 0.000 1.086 159 L CA 1.209 55.653 54.840 -0.659 0.000 0.760 159 L CB -0.799 40.807 42.059 -0.756 0.000 0.910 159 L HN 0.086 nan 8.230 nan 0.000 0.437 160 D N 0.225 120.540 120.400 -0.142 0.000 2.123 160 D HA -0.172 4.472 4.640 0.007 0.000 0.196 160 D C 2.336 178.544 176.300 -0.153 0.000 0.992 160 D CA 1.263 55.280 54.000 0.029 0.000 0.833 160 D CB 0.005 40.840 40.800 0.057 0.000 0.954 160 D HN 0.268 nan 8.370 nan 0.000 0.455 161 R N -0.583 119.729 120.500 -0.312 0.000 2.073 161 R HA -0.059 4.285 4.340 0.007 0.000 0.229 161 R C 2.305 178.405 176.300 -0.334 0.000 1.120 161 R CA 0.686 56.593 56.100 -0.320 0.000 0.967 161 R CB -0.469 29.611 30.300 -0.366 0.000 0.862 161 R HN 0.170 nan 8.270 nan 0.000 0.436 162 F N 0.501 120.003 119.950 -0.747 0.000 2.113 162 F HA -0.189 4.342 4.527 0.007 0.000 0.297 162 F C 1.716 177.255 175.800 -0.436 0.000 1.103 162 F CA 1.403 58.954 58.000 -0.748 0.000 1.248 162 F CB -0.310 37.876 39.000 -1.357 0.000 0.999 162 F HN -0.040 nan 8.300 nan 0.000 0.475 163 Y N -1.109 119.035 120.300 -0.259 0.000 2.242 163 Y HA -0.255 4.299 4.550 0.006 0.000 0.291 163 Y C 2.460 178.136 175.900 -0.374 0.000 1.137 163 Y CA 0.862 58.792 58.100 -0.284 0.000 1.181 163 Y CB -0.350 38.029 38.460 -0.134 0.000 0.989 163 Y HN 0.176 nan 8.280 nan 0.000 0.527 164 M N 0.806 120.300 119.600 -0.176 0.000 2.117 164 M HA -0.235 4.249 4.480 0.007 0.000 0.262 164 M C 1.998 178.116 176.300 -0.302 0.000 1.065 164 M CA 1.562 56.708 55.300 -0.256 0.000 1.114 164 M CB -0.633 31.875 32.600 -0.153 0.000 1.361 164 M HN 0.136 nan 8.290 nan 0.000 0.408 165 N N 0.178 118.711 118.700 -0.279 0.000 2.104 165 N HA -0.235 4.509 4.740 0.007 0.000 0.190 165 N C 2.000 177.323 175.510 -0.310 0.000 1.024 165 N CA 1.568 54.459 53.050 -0.265 0.000 0.853 165 N CB -0.319 38.017 38.487 -0.251 0.000 1.008 165 N HN 0.475 nan 8.380 nan 0.000 0.424 166 R N 0.591 120.858 120.500 -0.388 0.000 2.073 166 R HA -0.035 4.309 4.340 0.007 0.000 0.234 166 R C 2.479 178.622 176.300 -0.262 0.000 1.134 166 R CA 1.027 56.947 56.100 -0.299 0.000 0.952 166 R CB -0.329 29.801 30.300 -0.284 0.000 0.850 166 R HN 0.264 nan 8.270 nan 0.000 0.433 167 I N 0.985 121.328 120.570 -0.380 0.000 2.145 167 I HA -0.365 3.809 4.170 0.007 0.000 0.244 167 I C 2.597 178.398 176.117 -0.528 0.000 1.075 167 I CA 1.971 62.956 61.300 -0.525 0.000 1.332 167 I CB -0.363 37.120 38.000 -0.862 0.000 1.033 167 I HN 0.351 nan 8.210 nan 0.000 0.410 168 S N -0.074 115.315 115.700 -0.519 0.000 2.371 168 S HA -0.172 4.303 4.470 0.007 0.000 0.224 168 S C 2.137 176.699 174.600 -0.062 0.000 1.029 168 S CA 1.414 59.457 58.200 -0.262 0.000 0.978 168 S CB -1.018 62.154 63.200 -0.046 0.000 0.833 168 S HN 0.586 nan 8.310 nan 0.000 0.466 169 T N -0.080 114.416 114.554 -0.098 0.000 2.821 169 T HA 0.012 4.367 4.350 0.007 0.000 0.267 169 T C 1.982 176.674 174.700 -0.014 0.000 1.046 169 T CA 0.994 63.063 62.100 -0.051 0.000 1.139 169 T CB -0.500 68.309 68.868 -0.098 0.000 0.871 169 T HN 0.456 nan 8.240 nan 0.000 0.454 170 R N 0.008 120.493 120.500 -0.024 0.000 2.075 170 R HA 0.037 4.381 4.340 0.007 0.000 0.232 170 R C 2.528 178.862 176.300 0.057 0.000 1.126 170 R CA 1.450 57.563 56.100 0.022 0.000 0.963 170 R CB -0.393 29.923 30.300 0.027 0.000 0.858 170 R HN 0.427 nan 8.270 nan 0.000 0.435 171 M N 0.604 120.244 119.600 0.067 0.000 2.073 171 M HA -0.177 4.307 4.480 0.007 0.000 0.258 171 M C 1.661 178.021 176.300 0.100 0.000 1.070 171 M CA 1.683 57.062 55.300 0.132 0.000 1.103 171 M CB -0.305 32.440 32.600 0.242 0.000 1.321 171 M HN 0.178 nan 8.290 nan 0.000 0.405 172 L N -0.406 120.885 121.223 0.113 0.000 2.027 172 L HA -0.111 4.233 4.340 0.007 0.000 0.206 172 L C 2.389 179.379 176.870 0.199 0.000 1.074 172 L CA 1.882 56.813 54.840 0.152 0.000 0.745 172 L CB -0.829 41.364 42.059 0.224 0.000 0.898 172 L HN 0.413 nan 8.230 nan 0.000 0.433 173 M N -1.353 118.325 119.600 0.129 0.000 2.117 173 M HA -0.228 4.256 4.480 0.007 0.000 0.262 173 M C 2.027 178.409 176.300 0.137 0.000 1.065 173 M CA 1.714 57.077 55.300 0.105 0.000 1.114 173 M CB -0.713 31.880 32.600 -0.011 0.000 1.361 173 M HN 0.359 nan 8.290 nan 0.000 0.408 174 N N -0.260 118.500 118.700 0.099 0.000 2.166 174 N HA -0.203 4.542 4.740 0.007 0.000 0.186 174 N C 1.813 177.384 175.510 0.102 0.000 1.019 174 N CA 0.817 53.919 53.050 0.086 0.000 0.856 174 N CB 0.003 38.530 38.487 0.067 0.000 0.993 174 N HN 0.238 nan 8.380 nan 0.000 0.426 175 Q N 0.521 120.380 119.800 0.099 0.000 2.050 175 Q HA -0.189 4.156 4.340 0.007 0.000 0.202 175 Q C 1.759 177.916 176.000 0.262 0.000 0.980 175 Q CA 1.647 57.486 55.803 0.060 0.000 0.840 175 Q CB -0.291 28.328 28.738 -0.198 0.000 0.898 175 Q HN 0.461 nan 8.270 nan 0.000 0.424 176 H N -0.780 118.522 119.070 0.387 0.000 2.326 176 H HA -0.030 4.530 4.556 0.007 0.000 0.301 176 H C 1.744 177.291 175.328 0.364 0.000 1.081 176 H CA 2.023 58.404 56.048 0.555 0.000 1.334 176 H CB -0.059 30.029 29.762 0.545 0.000 1.385 176 H HN 0.286 nan 8.280 nan 0.000 0.504 177 I N 0.061 120.827 120.570 0.328 0.000 2.179 177 I HA -0.269 3.905 4.170 0.007 0.000 0.242 177 I C 1.925 178.091 176.117 0.081 0.000 1.088 177 I CA 1.171 62.580 61.300 0.183 0.000 1.357 177 I CB -0.207 37.852 38.000 0.097 0.000 1.051 177 I HN 0.285 nan 8.210 nan 0.000 0.409 178 L N -0.016 121.232 121.223 0.041 0.000 2.478 178 L HA -0.052 4.292 4.340 0.007 0.000 0.223 178 L C 2.171 178.980 176.870 -0.102 0.000 1.140 178 L CA 0.823 55.651 54.840 -0.020 0.000 0.842 178 L CB -0.114 41.939 42.059 -0.010 0.000 0.953 178 L HN 0.262 nan 8.230 nan 0.000 0.452 179 I N -2.034 118.414 120.570 -0.204 0.000 2.927 179 I HA -0.073 4.102 4.170 0.007 0.000 0.268 179 I C 1.487 177.224 176.117 -0.633 0.000 1.153 179 I CA 0.844 61.845 61.300 -0.498 0.000 1.459 179 I CB 0.212 37.736 38.000 -0.792 0.000 1.149 179 I HN 0.058 nan 8.210 nan 0.000 0.443 180 F N 0.475 120.370 119.950 -0.091 0.000 2.717 180 F HA 0.162 4.694 4.527 0.007 0.000 0.297 180 F C 1.642 177.423 175.800 -0.032 0.000 1.113 180 F CA -0.456 57.481 58.000 -0.104 0.000 1.319 180 F CB 0.016 38.865 39.000 -0.252 0.000 1.097 180 F HN -0.114 nan 8.300 nan 0.000 0.595 181 S N 0.210 115.984 115.700 0.124 0.000 2.593 181 S HA 0.035 4.509 4.470 0.007 0.000 0.269 181 S C 0.822 175.452 174.600 0.051 0.000 1.334 181 S CA -0.624 57.632 58.200 0.092 0.000 1.015 181 S CB 0.893 64.132 63.200 0.066 0.000 0.912 181 S HN 0.131 nan 8.310 nan 0.000 0.541 182 D N 1.274 121.700 120.400 0.043 0.000 2.149 182 D HA -0.058 4.587 4.640 0.007 0.000 0.201 182 D C 1.969 178.275 176.300 0.009 0.000 0.972 182 D CA 1.801 55.816 54.000 0.024 0.000 0.835 182 D CB -0.267 40.546 40.800 0.022 0.000 0.966 182 D HN 0.722 nan 8.370 nan 0.000 0.476 183 S N -0.886 114.818 115.700 0.008 0.000 2.506 183 S HA 0.081 4.555 4.470 0.007 0.000 0.219 183 S C 0.718 175.313 174.600 -0.009 0.000 1.031 183 S CA -0.373 57.825 58.200 -0.002 0.000 0.911 183 S CB 0.404 63.602 63.200 -0.003 0.000 0.812 183 S HN 0.062 nan 8.310 nan 0.000 0.497 184 Q N 1.871 121.667 119.800 -0.006 0.000 2.381 184 Q HA 0.388 4.732 4.340 0.007 0.000 0.263 184 Q C -0.332 175.656 176.000 -0.019 0.000 1.030 184 Q CA -0.094 55.701 55.803 -0.013 0.000 0.772 184 Q CB 1.428 30.161 28.738 -0.008 0.000 1.232 184 Q HN 0.522 nan 8.270 nan 0.000 0.476 185 T N -1.789 112.746 114.554 -0.031 0.000 3.044 185 T HA 0.349 4.704 4.350 0.007 0.000 0.260 185 T C 0.950 175.618 174.700 -0.053 0.000 1.019 185 T CA 0.228 62.302 62.100 -0.044 0.000 0.921 185 T CB 0.421 69.263 68.868 -0.044 0.000 1.053 185 T HN 0.820 nan 8.240 nan 0.000 0.533 186 G N 2.302 111.072 108.800 -0.050 0.000 2.682 186 G HA2 -0.235 3.729 3.960 0.007 0.000 0.256 186 G HA3 -0.235 3.729 3.960 0.007 0.000 0.256 186 G C -0.635 174.197 174.900 -0.113 0.000 1.333 186 G CA -0.515 44.547 45.100 -0.063 0.000 0.904 186 G HN 0.626 nan 8.290 nan 0.000 0.569 187 N N 1.837 120.414 118.700 -0.204 0.000 2.468 187 N HA 0.389 5.133 4.740 0.007 0.000 0.265 187 N C -1.067 174.318 175.510 -0.208 0.000 1.199 187 N CA -0.868 51.989 53.050 -0.322 0.000 0.928 187 N CB 1.142 39.129 38.487 -0.834 0.000 1.059 187 N HN 0.232 nan 8.380 nan 0.000 0.467 188 P HA -0.145 nan 4.420 nan 0.000 0.221 188 P C 0.794 178.058 177.300 -0.060 0.000 1.145 188 P CA 1.142 64.192 63.100 -0.085 0.000 0.795 188 P CB 0.202 31.860 31.700 -0.070 0.000 0.775 189 S N -2.962 112.695 115.700 -0.072 0.000 2.528 189 S HA -0.013 4.462 4.470 0.007 0.000 0.219 189 S C 0.737 175.431 174.600 0.157 0.000 0.985 189 S CA -0.113 58.097 58.200 0.018 0.000 0.914 189 S CB -1.010 62.206 63.200 0.027 0.000 0.776 189 S HN 0.270 nan 8.310 nan 0.000 0.526 190 H N -0.023 119.010 119.070 -0.061 0.000 2.508 190 H HA 0.524 5.084 4.556 0.007 0.000 0.344 190 H C -0.674 174.607 175.328 -0.078 0.000 1.192 190 H CA -1.117 54.889 56.048 -0.069 0.000 1.290 190 H CB 1.205 30.928 29.762 -0.066 0.000 1.571 190 H HN 0.171 nan 8.280 nan 0.000 0.555 191 I N 2.357 122.943 120.570 0.026 0.000 2.371 191 I HA 0.165 4.339 4.170 0.007 0.000 0.282 191 I C 1.006 177.092 176.117 -0.051 0.000 1.031 191 I CA 0.031 61.311 61.300 -0.034 0.000 1.180 191 I CB 0.747 38.712 38.000 -0.057 0.000 1.336 191 I HN 1.019 nan 8.210 nan 0.000 0.467 192 G N 5.357 114.128 108.800 -0.049 0.000 2.602 192 G HA2 -0.384 3.580 3.960 0.007 0.000 0.310 192 G HA3 -0.384 3.580 3.960 0.007 0.000 0.310 192 G C 0.722 175.626 174.900 0.008 0.000 1.183 192 G CA 0.674 45.750 45.100 -0.040 0.000 0.979 192 G HN 0.758 nan 8.290 nan 0.000 0.545 193 S N -0.140 115.547 115.700 -0.022 0.000 2.554 193 S HA 0.600 5.075 4.470 0.007 0.000 0.226 193 S C 0.682 175.211 174.600 -0.118 0.000 0.980 193 S CA 0.234 58.437 58.200 0.004 0.000 0.939 193 S CB 0.090 63.284 63.200 -0.011 0.000 0.832 193 S HN 0.659 nan 8.310 nan 0.000 0.486 194 I N 2.440 122.908 120.570 -0.170 0.000 2.353 194 I HA 0.347 4.521 4.170 0.007 0.000 0.293 194 I C -0.583 175.309 176.117 -0.374 0.000 0.992 194 I CA -0.603 60.527 61.300 -0.282 0.000 1.268 194 I CB 1.265 39.117 38.000 -0.245 0.000 1.387 194 I HN 0.096 nan 8.210 nan 0.000 0.478 195 D N 9.117 129.217 120.400 -0.500 0.000 2.317 195 D HA 0.238 4.882 4.640 0.007 0.000 0.234 195 D C -1.800 174.367 176.300 -0.221 0.000 1.112 195 D CA -2.225 51.494 54.000 -0.468 0.000 0.840 195 D CB 1.855 42.339 40.800 -0.528 0.000 1.078 195 D HN 0.185 nan 8.370 nan 0.000 0.486 196 P HA 0.028 nan 4.420 nan 0.000 0.233 196 P C -0.229 177.010 177.300 -0.102 0.000 1.167 196 P CA 0.501 63.534 63.100 -0.111 0.000 0.770 196 P CB 0.385 32.032 31.700 -0.088 0.000 0.837 197 N N -0.976 117.638 118.700 -0.143 0.000 2.610 197 N HA 0.053 4.797 4.740 0.007 0.000 0.307 197 N C -0.714 174.634 175.510 -0.271 0.000 1.813 197 N CA -0.329 52.574 53.050 -0.244 0.000 0.901 197 N CB -0.353 37.932 38.487 -0.337 0.000 1.354 197 N HN 0.019 nan 8.380 nan 0.000 0.491 198 C N 1.518 120.769 119.300 -0.082 0.000 2.638 198 C HA 0.048 4.512 4.460 0.007 0.000 0.410 198 C C 0.866 175.938 174.990 0.137 0.000 1.404 198 C CA -0.196 58.824 59.018 0.004 0.000 1.651 198 C CB -0.899 26.874 27.740 0.055 0.000 2.495 198 C HN 0.386 nan 8.230 nan 0.000 0.606 199 D N 5.174 125.668 120.400 0.157 0.000 2.470 199 D HA 0.079 4.723 4.640 0.007 0.000 0.226 199 D C 1.185 177.595 176.300 0.183 0.000 1.196 199 D CA 0.124 54.302 54.000 0.297 0.000 0.979 199 D CB 0.754 41.685 40.800 0.219 0.000 1.059 199 D HN 0.539 nan 8.370 nan 0.000 0.515 200 V N 3.603 123.613 119.914 0.160 0.000 2.282 200 V HA -0.279 3.846 4.120 0.007 0.000 0.249 200 V C 2.544 178.694 176.094 0.094 0.000 1.057 200 V CA 1.313 63.672 62.300 0.098 0.000 1.032 200 V CB -0.315 31.541 31.823 0.055 0.000 0.645 200 V HN 0.451 nan 8.190 nan 0.000 0.447 201 V N 0.055 120.017 119.914 0.080 0.000 2.407 201 V HA -0.258 3.866 4.120 0.007 0.000 0.248 201 V C 2.658 178.807 176.094 0.090 0.000 1.055 201 V CA 1.972 64.314 62.300 0.069 0.000 1.049 201 V CB -1.059 30.787 31.823 0.037 0.000 0.662 201 V HN 0.582 nan 8.190 nan 0.000 0.455 202 A N -0.329 122.552 122.820 0.102 0.000 1.933 202 A HA -0.149 4.175 4.320 0.007 0.000 0.218 202 A C 2.376 180.046 177.584 0.143 0.000 1.175 202 A CA 1.970 54.074 52.037 0.111 0.000 0.628 202 A CB -0.593 18.473 19.000 0.110 0.000 0.814 202 A HN 0.350 nan 8.150 nan 0.000 0.444 203 V N -0.411 119.599 119.914 0.159 0.000 2.343 203 V HA -0.226 3.898 4.120 0.007 0.000 0.247 203 V C 2.568 178.783 176.094 0.202 0.000 1.051 203 V CA 1.900 64.322 62.300 0.203 0.000 1.036 203 V CB -0.792 31.148 31.823 0.195 0.000 0.654 203 V HN 0.373 nan 8.190 nan 0.000 0.451 204 V N -0.206 119.821 119.914 0.189 0.000 2.287 204 V HA -0.364 3.760 4.120 0.007 0.000 0.248 204 V C 2.483 178.748 176.094 0.285 0.000 1.053 204 V CA 2.340 64.807 62.300 0.277 0.000 1.027 204 V CB -0.758 31.198 31.823 0.222 0.000 0.646 204 V HN 0.599 nan 8.190 nan 0.000 0.447 205 Q N -0.696 119.204 119.800 0.168 0.000 2.119 205 Q HA -0.231 4.113 4.340 0.007 0.000 0.201 205 Q C 2.165 178.271 176.000 0.177 0.000 0.972 205 Q CA 1.674 57.550 55.803 0.122 0.000 0.847 205 Q CB -0.302 28.476 28.738 0.066 0.000 0.903 205 Q HN 0.661 nan 8.270 nan 0.000 0.433 206 D N 0.534 121.050 120.400 0.193 0.000 2.097 206 D HA -0.129 4.515 4.640 0.007 0.000 0.195 206 D C 1.777 178.219 176.300 0.236 0.000 0.989 206 D CA 1.513 55.649 54.000 0.227 0.000 0.827 206 D CB -0.037 40.929 40.800 0.276 0.000 0.966 206 D HN 0.186 nan 8.370 nan 0.000 0.456 207 A N -0.386 122.508 122.820 0.123 0.000 1.930 207 A HA -0.099 4.226 4.320 0.007 0.000 0.217 207 A C 2.278 180.039 177.584 0.295 0.000 1.175 207 A CA 1.041 53.066 52.037 -0.019 0.000 0.627 207 A CB -1.176 17.786 19.000 -0.063 0.000 0.815 207 A HN 0.356 nan 8.150 nan 0.000 0.443 208 F N 0.918 120.910 119.950 0.070 0.000 2.095 208 F HA -0.192 4.339 4.527 0.007 0.000 0.298 208 F C 2.395 178.131 175.800 -0.108 0.000 1.104 208 F CA 2.188 59.973 58.000 -0.358 0.000 1.232 208 F CB -0.010 38.609 39.000 -0.634 0.000 0.987 208 F HN 0.207 nan 8.300 nan 0.000 0.475 209 E N -0.267 120.032 120.200 0.166 0.000 2.085 209 E HA -0.232 4.123 4.350 0.007 0.000 0.194 209 E C 2.504 179.162 176.600 0.096 0.000 0.994 209 E CA 1.458 57.929 56.400 0.119 0.000 0.801 209 E CB -1.155 28.628 29.700 0.138 0.000 0.743 209 E HN 0.461 nan 8.360 nan 0.000 0.453 210 C N 0.392 119.792 119.300 0.167 0.000 2.413 210 C HA -0.127 4.337 4.460 0.007 0.000 0.276 210 C C 3.114 178.327 174.990 0.372 0.000 1.236 210 C CA 1.314 60.473 59.018 0.235 0.000 1.735 210 C CB -0.996 26.867 27.740 0.205 0.000 2.031 210 C HN 0.443 nan 8.230 nan 0.000 0.474 211 S N -0.154 115.739 115.700 0.322 0.000 2.368 211 S HA -0.174 4.301 4.470 0.007 0.000 0.225 211 S C 2.277 176.825 174.600 -0.087 0.000 1.030 211 S CA 1.195 59.416 58.200 0.036 0.000 0.999 211 S CB -0.423 62.656 63.200 -0.201 0.000 0.844 211 S HN 0.536 nan 8.310 nan 0.000 0.459 212 R N 0.278 120.661 120.500 -0.196 0.000 2.081 212 R HA -0.024 4.321 4.340 0.007 0.000 0.235 212 R C 2.315 178.613 176.300 -0.003 0.000 1.131 212 R CA 1.719 57.728 56.100 -0.152 0.000 0.960 212 R CB -0.680 29.540 30.300 -0.133 0.000 0.856 212 R HN 0.483 nan 8.270 nan 0.000 0.436 213 M N 0.218 119.845 119.600 0.045 0.000 2.108 213 M HA -0.196 4.288 4.480 0.007 0.000 0.261 213 M C 2.333 178.687 176.300 0.089 0.000 1.066 213 M CA 1.546 56.888 55.300 0.069 0.000 1.107 213 M CB -0.179 32.469 32.600 0.081 0.000 1.356 213 M HN 0.144 nan 8.290 nan 0.000 0.406 214 L N -1.273 120.030 121.223 0.133 0.000 2.056 214 L HA -0.265 4.080 4.340 0.007 0.000 0.207 214 L C 2.699 179.693 176.870 0.206 0.000 1.078 214 L CA 1.039 55.989 54.840 0.183 0.000 0.749 214 L CB -0.402 41.789 42.059 0.221 0.000 0.901 214 L HN 0.522 nan 8.230 nan 0.000 0.433 215 C N 0.318 119.701 119.300 0.138 0.000 2.429 215 C HA -0.196 4.268 4.460 0.007 0.000 0.277 215 C C 2.373 177.493 174.990 0.217 0.000 1.262 215 C CA 1.186 60.322 59.018 0.198 0.000 1.733 215 C CB -0.728 27.085 27.740 0.122 0.000 2.010 215 C HN 0.533 nan 8.230 nan 0.000 0.483 216 D N 0.056 120.531 120.400 0.125 0.000 2.149 216 D HA -0.154 4.490 4.640 0.007 0.000 0.198 216 D C 2.355 178.679 176.300 0.041 0.000 0.990 216 D CA 1.395 55.449 54.000 0.091 0.000 0.839 216 D CB -0.534 40.299 40.800 0.055 0.000 0.948 216 D HN 0.698 nan 8.370 nan 0.000 0.460 217 Q N -1.115 118.685 119.800 -0.001 0.000 2.224 217 Q HA -0.118 4.227 4.340 0.007 0.000 0.203 217 Q C 1.633 177.445 176.000 -0.313 0.000 0.970 217 Q CA 0.790 56.511 55.803 -0.137 0.000 0.865 217 Q CB -0.031 28.605 28.738 -0.170 0.000 0.922 217 Q HN 0.464 nan 8.270 nan 0.000 0.445 218 Y N -2.144 118.029 120.300 -0.211 0.000 2.397 218 Y HA -0.093 4.463 4.550 0.009 0.000 0.292 218 Y C 0.865 176.425 175.900 -0.566 0.000 1.115 218 Y CA 0.756 58.570 58.100 -0.477 0.000 1.208 218 Y CB 0.571 38.576 38.460 -0.759 0.000 1.046 218 Y HN 0.096 nan 8.280 nan 0.000 0.552 219 Y N -2.356 118.014 120.300 0.116 0.000 2.499 219 Y HA 0.311 4.865 4.550 0.006 0.000 0.253 219 Y C 0.689 176.606 175.900 0.028 0.000 1.105 219 Y CA -0.913 57.225 58.100 0.063 0.000 1.240 219 Y CB 0.265 38.757 38.460 0.054 0.000 1.289 219 Y HN -0.182 nan 8.280 nan 0.000 0.534 220 L N 1.698 123.004 121.223 0.138 0.000 3.839 220 L HA -0.297 4.047 4.340 0.007 0.000 0.416 220 L C -0.207 176.718 176.870 0.092 0.000 1.195 220 L CA 1.159 56.049 54.840 0.085 0.000 0.946 220 L CB -1.911 40.181 42.059 0.055 0.000 1.891 220 L HN 0.421 nan 8.230 nan 0.000 0.963 221 S N -2.087 113.687 115.700 0.123 0.000 2.578 221 S HA 0.794 5.268 4.470 0.007 0.000 0.272 221 S C -0.528 174.122 174.600 0.084 0.000 1.145 221 S CA -0.055 58.191 58.200 0.077 0.000 0.835 221 S CB 2.664 65.892 63.200 0.047 0.000 1.104 221 S HN 0.497 nan 8.310 nan 0.000 0.458 222 S N -0.151 115.578 115.700 0.048 0.000 2.570 222 S HA 0.863 5.337 4.470 0.007 0.000 0.270 222 S C -3.462 171.155 174.600 0.029 0.000 1.149 222 S CA -1.308 56.908 58.200 0.027 0.000 0.837 222 S CB 0.724 63.932 63.200 0.013 0.000 1.124 222 S HN 0.619 nan 8.310 nan 0.000 0.465 223 P HA 0.342 nan 4.420 nan 0.000 0.272 223 P C -0.394 177.013 177.300 0.179 0.000 1.223 223 P CA -0.339 62.806 63.100 0.076 0.000 0.784 223 P CB 0.329 32.077 31.700 0.080 0.000 0.923 224 E N 0.177 120.451 120.200 0.123 0.000 2.369 224 E HA 0.282 4.636 4.350 0.007 0.000 0.255 224 E C -0.546 176.025 176.600 -0.049 0.000 1.172 224 E CA -0.677 55.773 56.400 0.083 0.000 0.932 224 E CB 0.419 30.121 29.700 0.004 0.000 1.040 224 E HN 0.222 nan 8.360 nan 0.000 0.454 225 L N 1.785 122.755 121.223 -0.421 0.000 2.282 225 L HA 0.284 4.628 4.340 0.007 0.000 0.288 225 L C -0.794 175.847 176.870 -0.381 0.000 1.033 225 L CA -0.018 54.333 54.840 -0.814 0.000 0.807 225 L CB 0.872 42.003 42.059 -1.547 0.000 1.209 225 L HN 0.303 nan 8.230 nan 0.000 0.423 226 K N 5.933 126.183 120.400 -0.251 0.000 2.425 226 K HA 0.533 4.857 4.320 0.007 0.000 0.259 226 K C -1.760 174.768 176.600 -0.120 0.000 0.978 226 K CA -0.590 55.612 56.287 -0.142 0.000 0.883 226 K CB 1.076 33.530 32.500 -0.077 0.000 1.110 226 K HN 0.759 nan 8.250 nan 0.000 0.436 227 L N 2.904 124.060 121.223 -0.111 0.000 2.346 227 L HA 0.595 4.940 4.340 0.007 0.000 0.274 227 L C -1.237 175.607 176.870 -0.042 0.000 1.007 227 L CA -0.109 54.687 54.840 -0.073 0.000 0.818 227 L CB 2.432 44.439 42.059 -0.086 0.000 1.284 227 L HN 0.599 nan 8.230 nan 0.000 0.424 228 T N 3.300 117.841 114.554 -0.023 0.000 2.893 228 T HA 0.523 4.878 4.350 0.007 0.000 0.293 228 T C -1.538 173.156 174.700 -0.009 0.000 1.027 228 T CA -0.591 61.500 62.100 -0.015 0.000 0.988 228 T CB 1.755 70.617 68.868 -0.010 0.000 1.043 228 T HN 0.694 nan 8.240 nan 0.000 0.461 229 Q N 0.430 120.225 119.800 -0.009 0.000 2.389 229 Q HA 0.831 5.175 4.340 0.007 0.000 0.277 229 Q C -1.860 174.137 176.000 -0.005 0.000 1.082 229 Q CA -1.070 54.729 55.803 -0.006 0.000 0.810 229 Q CB 2.181 30.914 28.738 -0.007 0.000 1.374 229 Q HN 0.359 nan 8.270 nan 0.000 0.422 230 V N 2.477 122.389 119.914 -0.003 0.000 2.488 230 V HA 0.299 4.424 4.120 0.007 0.000 0.293 230 V C -0.931 175.164 176.094 0.001 0.000 1.027 230 V CA -0.781 61.517 62.300 -0.002 0.000 0.862 230 V CB 1.685 33.506 31.823 -0.005 0.000 1.008 230 V HN 0.840 nan 8.190 nan 0.000 0.428 231 N N 3.516 122.221 118.700 0.008 0.000 2.645 231 N HA 0.242 4.986 4.740 0.007 0.000 0.233 231 N C 1.136 176.646 175.510 0.001 0.000 1.058 231 N CA 0.486 53.550 53.050 0.023 0.000 0.942 231 N CB 1.801 40.323 38.487 0.058 0.000 1.210 231 N HN 0.779 nan 8.380 nan 0.000 0.512 232 G N 2.511 111.296 108.800 -0.025 0.000 2.403 232 G HA2 -0.197 3.767 3.960 0.007 0.000 0.216 232 G HA3 -0.197 3.767 3.960 0.007 0.000 0.216 232 G C 1.371 176.203 174.900 -0.113 0.000 1.154 232 G CA 0.382 45.450 45.100 -0.052 0.000 0.784 232 G HN 0.499 nan 8.290 nan 0.000 0.538 233 K N -0.556 119.735 120.400 -0.182 0.000 2.062 233 K HA 0.062 4.386 4.320 0.007 0.000 0.205 233 K C -0.209 175.983 176.600 -0.679 0.000 1.051 233 K CA 0.570 56.573 56.287 -0.472 0.000 0.941 233 K CB -0.077 32.057 32.500 -0.611 0.000 0.719 233 K HN 0.308 nan 8.250 nan 0.000 0.440 234 F N 1.576 121.520 119.950 -0.011 0.000 2.660 234 F HA 0.343 4.874 4.527 0.007 0.000 0.352 234 F C -2.416 173.373 175.800 -0.018 0.000 1.257 234 F CA -2.588 55.405 58.000 -0.012 0.000 1.200 234 F CB 1.230 40.222 39.000 -0.013 0.000 1.473 234 F HN -0.116 nan 8.300 nan 0.000 0.561 235 P HA -0.010 nan 4.420 nan 0.000 0.265 235 P C 0.200 177.532 177.300 0.054 0.000 1.187 235 P CA 0.759 63.889 63.100 0.050 0.000 0.766 235 P CB 0.535 32.249 31.700 0.024 0.000 0.820 236 D N -1.326 119.093 120.400 0.032 0.000 3.067 236 D HA -0.171 4.474 4.640 0.007 0.000 0.216 236 D C -0.007 176.303 176.300 0.016 0.000 1.162 236 D CA 1.373 55.385 54.000 0.020 0.000 0.960 236 D CB -0.807 40.003 40.800 0.016 0.000 1.129 236 D HN 0.442 nan 8.370 nan 0.000 0.408 237 Q N -0.226 119.592 119.800 0.031 0.000 2.230 237 Q HA 0.448 4.793 4.340 0.007 0.000 0.248 237 Q C -2.174 173.791 176.000 -0.058 0.000 0.915 237 Q CA -1.753 54.046 55.803 -0.007 0.000 0.900 237 Q CB 0.294 29.036 28.738 0.006 0.000 1.229 237 Q HN 0.026 nan 8.270 nan 0.000 0.439 238 P HA -0.076 nan 4.420 nan 0.000 0.263 238 P C -0.398 176.682 177.300 -0.367 0.000 1.168 238 P CA 0.717 63.666 63.100 -0.252 0.000 0.759 238 P CB 0.279 31.783 31.700 -0.326 0.000 0.782 239 I N 4.345 124.753 120.570 -0.269 0.000 2.337 239 I HA 0.171 4.346 4.170 0.007 0.000 0.291 239 I C 0.740 176.730 176.117 -0.211 0.000 1.046 239 I CA 0.120 61.322 61.300 -0.163 0.000 1.324 239 I CB 0.042 38.020 38.000 -0.037 0.000 1.409 239 I HN 0.442 nan 8.210 nan 0.000 0.494 240 H N 6.001 125.097 119.070 0.044 0.000 2.821 240 H HA 0.736 5.296 4.556 0.007 0.000 0.373 240 H C -0.632 174.723 175.328 0.045 0.000 1.165 240 H CA -0.933 55.131 56.048 0.027 0.000 1.154 240 H CB 2.538 32.296 29.762 -0.006 0.000 1.765 240 H HN 0.515 nan 8.280 nan 0.000 0.549 241 I N -1.914 118.765 120.570 0.182 0.000 3.191 241 I HA 0.508 4.682 4.170 0.007 0.000 0.313 241 I C -0.980 175.188 176.117 0.086 0.000 1.193 241 I CA -1.467 59.908 61.300 0.125 0.000 0.968 241 I CB 1.883 39.945 38.000 0.103 0.000 1.262 241 I HN 0.250 nan 8.210 nan 0.000 0.456 242 V N 3.214 123.158 119.914 0.050 0.000 2.425 242 V HA 0.196 4.320 4.120 0.007 0.000 0.276 242 V C -0.642 175.481 176.094 0.048 0.000 1.017 242 V CA 0.679 62.974 62.300 -0.009 0.000 1.062 242 V CB -0.989 30.794 31.823 -0.067 0.000 0.997 242 V HN 0.616 nan 8.190 nan 0.000 0.476 243 Y N 2.907 123.114 120.300 -0.156 0.000 2.670 243 Y HA 0.541 5.096 4.550 0.007 0.000 0.334 243 Y C -0.432 175.354 175.900 -0.191 0.000 1.185 243 Y CA -0.955 57.052 58.100 -0.155 0.000 1.053 243 Y CB 2.118 40.547 38.460 -0.053 0.000 1.298 243 Y HN 0.202 nan 8.280 nan 0.000 0.459 244 V N 5.514 125.063 119.914 -0.608 0.000 2.320 244 V HA 0.211 4.336 4.120 0.007 0.000 0.265 244 V C -1.979 174.088 176.094 -0.046 0.000 1.048 244 V CA -1.243 60.809 62.300 -0.413 0.000 0.865 244 V CB 0.855 32.246 31.823 -0.721 0.000 1.043 244 V HN 0.639 nan 8.190 nan 0.000 0.474 245 P HA -0.102 nan 4.420 nan 0.000 0.221 245 P C 1.784 179.193 177.300 0.181 0.000 1.150 245 P CA 1.290 64.478 63.100 0.146 0.000 0.800 245 P CB 0.191 31.951 31.700 0.101 0.000 0.787 246 S N -1.195 114.576 115.700 0.119 0.000 2.382 246 S HA -0.227 4.248 4.470 0.007 0.000 0.228 246 S C 1.921 176.637 174.600 0.193 0.000 1.027 246 S CA 1.084 59.366 58.200 0.137 0.000 0.991 246 S CB -1.789 61.480 63.200 0.115 0.000 0.823 246 S HN 0.322 nan 8.310 nan 0.000 0.469 247 H N 0.197 119.278 119.070 0.018 0.000 2.363 247 H HA 0.104 4.665 4.556 0.008 0.000 0.301 247 H C 2.231 177.596 175.328 0.061 0.000 1.074 247 H CA 1.092 57.046 56.048 -0.158 0.000 1.354 247 H CB -0.090 29.755 29.762 0.139 0.000 1.397 247 H HN 0.309 nan 8.280 nan 0.000 0.516 248 L N 0.629 122.098 121.223 0.410 0.000 2.027 248 L HA -0.186 4.158 4.340 0.007 0.000 0.206 248 L C 2.434 179.431 176.870 0.212 0.000 1.074 248 L CA 1.730 56.742 54.840 0.286 0.000 0.745 248 L CB -0.989 41.216 42.059 0.243 0.000 0.898 248 L HN 0.337 nan 8.230 nan 0.000 0.433 249 H N -1.303 117.854 119.070 0.147 0.000 2.319 249 H HA -0.275 4.285 4.556 0.008 0.000 0.297 249 H C 2.240 177.652 175.328 0.141 0.000 1.097 249 H CA 2.337 58.465 56.048 0.134 0.000 1.285 249 H CB -0.109 29.715 29.762 0.103 0.000 1.368 249 H HN 0.652 nan 8.280 nan 0.000 0.495 250 H N 0.018 119.188 119.070 0.168 0.000 2.289 250 H HA -0.137 4.423 4.556 0.007 0.000 0.296 250 H C 2.715 178.108 175.328 0.108 0.000 1.091 250 H CA 2.469 58.577 56.048 0.100 0.000 1.274 250 H CB -0.120 29.523 29.762 -0.199 0.000 1.364 250 H HN 0.276 nan 8.280 nan 0.000 0.490 251 M N -0.436 119.274 119.600 0.183 0.000 2.065 251 M HA -0.185 4.300 4.480 0.007 0.000 0.259 251 M C 2.378 178.649 176.300 -0.048 0.000 1.069 251 M CA 1.634 57.007 55.300 0.121 0.000 1.110 251 M CB -0.269 32.411 32.600 0.134 0.000 1.328 251 M HN 0.293 nan 8.290 nan 0.000 0.405 252 L N -1.146 120.018 121.223 -0.099 0.000 2.056 252 L HA -0.198 4.146 4.340 0.007 0.000 0.207 252 L C 2.494 179.196 176.870 -0.280 0.000 1.078 252 L CA 1.112 55.755 54.840 -0.329 0.000 0.749 252 L CB -0.744 41.185 42.059 -0.216 0.000 0.901 252 L HN 0.185 nan 8.230 nan 0.000 0.433 253 F N 1.189 121.012 119.950 -0.211 0.000 2.095 253 F HA -0.237 4.295 4.527 0.009 0.000 0.298 253 F C 2.592 178.328 175.800 -0.107 0.000 1.104 253 F CA 1.701 59.639 58.000 -0.104 0.000 1.232 253 F CB -0.199 38.722 39.000 -0.131 0.000 0.987 253 F HN 0.038 nan 8.300 nan 0.000 0.475 254 E N 0.600 120.688 120.200 -0.187 0.000 2.077 254 E HA -0.176 4.178 4.350 0.007 0.000 0.193 254 E C 2.450 178.903 176.600 -0.244 0.000 0.989 254 E CA 1.480 57.717 56.400 -0.272 0.000 0.800 254 E CB -0.722 28.892 29.700 -0.145 0.000 0.746 254 E HN 0.471 nan 8.360 nan 0.000 0.452 255 L N -0.407 120.673 121.223 -0.239 0.000 2.141 255 L HA -0.088 4.257 4.340 0.007 0.000 0.209 255 L C 2.436 179.190 176.870 -0.195 0.000 1.094 255 L CA 0.887 55.583 54.840 -0.239 0.000 0.763 255 L CB -0.432 41.450 42.059 -0.294 0.000 0.908 255 L HN 0.055 nan 8.230 nan 0.000 0.437 256 F N 0.191 120.049 119.950 -0.153 0.000 2.206 256 F HA -0.132 4.399 4.527 0.007 0.000 0.298 256 F C 2.578 178.207 175.800 -0.285 0.000 1.090 256 F CA 0.613 58.502 58.000 -0.184 0.000 1.323 256 F CB -0.122 38.757 39.000 -0.203 0.000 1.028 256 F HN -0.087 nan 8.300 nan 0.000 0.492 257 K N 0.336 120.599 120.400 -0.228 0.000 2.044 257 K HA -0.198 4.127 4.320 0.007 0.000 0.210 257 K C 1.670 178.168 176.600 -0.169 0.000 1.049 257 K CA 1.594 57.704 56.287 -0.297 0.000 0.927 257 K CB -0.382 31.826 32.500 -0.487 0.000 0.713 257 K HN 0.202 nan 8.250 nan 0.000 0.443 258 N N 0.897 119.506 118.700 -0.152 0.000 2.084 258 N HA -0.137 4.608 4.740 0.007 0.000 0.190 258 N C 1.747 177.214 175.510 -0.072 0.000 1.030 258 N CA 1.466 54.449 53.050 -0.112 0.000 0.849 258 N CB -0.472 37.942 38.487 -0.122 0.000 1.012 258 N HN 0.192 nan 8.380 nan 0.000 0.423 259 A N 0.865 123.666 122.820 -0.032 0.000 1.933 259 A HA -0.087 4.237 4.320 0.007 0.000 0.218 259 A C 2.297 179.872 177.584 -0.016 0.000 1.175 259 A CA 1.259 53.300 52.037 0.006 0.000 0.628 259 A CB -0.438 18.626 19.000 0.108 0.000 0.814 259 A HN 0.206 nan 8.150 nan 0.000 0.444 260 M N -1.612 117.967 119.600 -0.035 0.000 2.123 260 M HA -0.085 4.399 4.480 0.007 0.000 0.263 260 M C 2.437 178.686 176.300 -0.084 0.000 1.069 260 M CA 1.681 56.941 55.300 -0.066 0.000 1.133 260 M CB -0.264 32.278 32.600 -0.098 0.000 1.356 260 M HN 0.526 nan 8.290 nan 0.000 0.415 261 R N 0.693 121.162 120.500 -0.051 0.000 2.080 261 R HA -0.162 4.182 4.340 0.007 0.000 0.236 261 R C 2.121 178.357 176.300 -0.107 0.000 1.137 261 R CA 1.871 57.949 56.100 -0.037 0.000 0.943 261 R CB -0.396 29.904 30.300 -0.002 0.000 0.846 261 R HN 0.334 nan 8.270 nan 0.000 0.431 262 A N 0.331 123.102 122.820 -0.081 0.000 1.873 262 A HA -0.196 4.128 4.320 0.007 0.000 0.218 262 A C 2.269 179.809 177.584 -0.074 0.000 1.193 262 A CA 2.323 54.314 52.037 -0.078 0.000 0.629 262 A CB -1.199 17.752 19.000 -0.082 0.000 0.826 262 A HN 0.539 nan 8.150 nan 0.000 0.447 263 T N -0.448 114.057 114.554 -0.081 0.000 2.652 263 T HA -0.133 4.222 4.350 0.007 0.000 0.267 263 T C 1.900 176.540 174.700 -0.100 0.000 1.039 263 T CA 1.713 63.775 62.100 -0.064 0.000 1.153 263 T CB -0.540 68.295 68.868 -0.056 0.000 0.863 263 T HN 0.155 nan 8.240 nan 0.000 0.428 264 V N 1.508 121.291 119.914 -0.217 0.000 2.295 264 V HA -0.160 3.965 4.120 0.007 0.000 0.246 264 V C 2.496 178.411 176.094 -0.297 0.000 1.049 264 V CA 1.701 63.797 62.300 -0.340 0.000 1.024 264 V CB -0.589 30.796 31.823 -0.730 0.000 0.648 264 V HN 0.551 nan 8.190 nan 0.000 0.447 265 E N -0.719 119.316 120.200 -0.275 0.000 2.150 265 E HA -0.247 4.108 4.350 0.007 0.000 0.193 265 E C 2.126 178.708 176.600 -0.031 0.000 0.985 265 E CA 1.382 57.700 56.400 -0.138 0.000 0.814 265 E CB -0.162 29.493 29.700 -0.076 0.000 0.752 265 E HN 0.738 nan 8.360 nan 0.000 0.466 266 H N 0.657 119.660 119.070 -0.112 0.000 2.470 266 H HA 0.060 4.621 4.556 0.008 0.000 0.289 266 H C 1.051 176.336 175.328 -0.072 0.000 1.033 266 H CA 1.037 57.038 56.048 -0.078 0.000 1.331 266 H CB 0.392 30.107 29.762 -0.077 0.000 1.414 266 H HN 0.017 nan 8.280 nan 0.000 0.545 267 Q N 0.284 120.022 119.800 -0.104 0.000 2.189 267 Q HA 0.032 4.377 4.340 0.007 0.000 0.221 267 Q C 0.980 176.913 176.000 -0.113 0.000 0.848 267 Q CA 0.130 55.850 55.803 -0.138 0.000 1.007 267 Q CB 0.555 29.244 28.738 -0.080 0.000 1.116 267 Q HN 0.742 nan 8.270 nan 0.000 0.481 268 E N 1.067 121.201 120.200 -0.109 0.000 2.333 268 E HA -0.190 4.165 4.350 0.007 0.000 0.198 268 E C 1.158 177.721 176.600 -0.062 0.000 1.007 268 E CA 1.028 57.382 56.400 -0.077 0.000 0.845 268 E CB -0.119 29.545 29.700 -0.061 0.000 0.766 268 E HN 0.352 nan 8.360 nan 0.000 0.507 269 N N 1.079 119.732 118.700 -0.078 0.000 2.463 269 N HA -0.087 4.658 4.740 0.007 0.000 0.181 269 N C 0.180 175.658 175.510 -0.053 0.000 1.078 269 N CA 0.307 53.319 53.050 -0.062 0.000 0.902 269 N CB 0.065 38.508 38.487 -0.073 0.000 0.970 269 N HN 0.187 nan 8.380 nan 0.000 0.451 270 Q N 0.569 120.335 119.800 -0.058 0.000 2.235 270 Q HA 0.317 4.661 4.340 0.007 0.000 0.256 270 Q C -1.751 174.230 176.000 -0.032 0.000 0.951 270 Q CA -1.660 54.117 55.803 -0.044 0.000 0.890 270 Q CB 1.542 30.250 28.738 -0.051 0.000 1.279 270 Q HN 0.004 nan 8.270 nan 0.000 0.444 271 P HA -0.104 nan 4.420 nan 0.000 0.225 271 P C -0.071 177.221 177.300 -0.012 0.000 1.148 271 P CA 0.984 64.076 63.100 -0.014 0.000 0.779 271 P CB 0.376 32.070 31.700 -0.010 0.000 0.780 272 S N -2.307 113.384 115.700 -0.015 0.000 2.656 272 S HA 0.559 5.033 4.470 0.007 0.000 0.273 272 S C -1.282 173.307 174.600 -0.018 0.000 1.168 272 S CA -1.008 57.184 58.200 -0.012 0.000 0.817 272 S CB 0.874 64.070 63.200 -0.006 0.000 1.146 272 S HN -0.140 nan 8.310 nan 0.000 0.475 273 L N 2.235 123.449 121.223 -0.014 0.000 2.307 273 L HA 0.535 4.880 4.340 0.007 0.000 0.284 273 L C 0.534 177.398 176.870 -0.009 0.000 1.023 273 L CA -0.759 54.070 54.840 -0.018 0.000 0.810 273 L CB 2.052 44.099 42.059 -0.018 0.000 1.231 273 L HN 1.012 nan 8.230 nan 0.000 0.423 274 T N 0.916 115.462 114.554 -0.013 0.000 2.934 274 T HA 0.207 4.562 4.350 0.007 0.000 0.306 274 T C -2.326 172.374 174.700 0.000 0.000 1.042 274 T CA -1.156 60.938 62.100 -0.010 0.000 1.145 274 T CB 0.323 69.177 68.868 -0.024 0.000 0.982 274 T HN 0.239 nan 8.240 nan 0.000 0.544 275 P HA 0.324 nan 4.420 nan 0.000 0.272 275 P C -0.220 177.097 177.300 0.029 0.000 1.240 275 P CA -0.613 62.495 63.100 0.012 0.000 0.791 275 P CB 0.363 32.052 31.700 -0.017 0.000 0.978 276 I N 0.990 121.602 120.570 0.070 0.000 2.395 276 I HA 0.149 4.323 4.170 0.007 0.000 0.289 276 I C 0.830 176.970 176.117 0.039 0.000 1.023 276 I CA -0.044 61.319 61.300 0.106 0.000 1.350 276 I CB 0.419 38.583 38.000 0.274 0.000 1.409 276 I HN 0.204 nan 8.210 nan 0.000 0.507 277 E N 5.578 125.808 120.200 0.051 0.000 2.175 277 E HA 0.536 4.890 4.350 0.007 0.000 0.278 277 E C -1.228 175.408 176.600 0.061 0.000 0.969 277 E CA -0.658 55.756 56.400 0.024 0.000 0.796 277 E CB 2.504 32.218 29.700 0.023 0.000 1.104 277 E HN 0.250 nan 8.360 nan 0.000 0.395 278 V N 4.328 124.265 119.914 0.039 0.000 2.588 278 V HA 0.459 4.584 4.120 0.007 0.000 0.304 278 V C -0.444 175.668 176.094 0.031 0.000 1.042 278 V CA -0.800 61.545 62.300 0.075 0.000 0.877 278 V CB 1.850 33.758 31.823 0.142 0.000 0.996 278 V HN 0.621 nan 8.190 nan 0.000 0.425 279 I N 4.491 125.075 120.570 0.024 0.000 2.509 279 I HA 0.701 4.875 4.170 0.007 0.000 0.293 279 I C -1.120 174.997 176.117 0.000 0.000 1.020 279 I CA -0.547 60.757 61.300 0.007 0.000 1.088 279 I CB 1.892 39.893 38.000 0.002 0.000 1.267 279 I HN 0.400 nan 8.210 nan 0.000 0.430 280 V N 7.593 127.507 119.914 -0.000 0.000 2.417 280 V HA 0.506 4.630 4.120 0.007 0.000 0.291 280 V C -0.517 175.574 176.094 -0.006 0.000 1.024 280 V CA -0.579 61.717 62.300 -0.006 0.000 0.861 280 V CB 1.637 33.463 31.823 0.005 0.000 0.985 280 V HN 0.478 nan 8.190 nan 0.000 0.436 281 V N 5.960 125.868 119.914 -0.010 0.000 2.483 281 V HA 0.446 4.570 4.120 0.007 0.000 0.297 281 V C -0.672 175.424 176.094 0.003 0.000 1.027 281 V CA -0.583 61.715 62.300 -0.003 0.000 0.855 281 V CB 1.881 33.703 31.823 -0.003 0.000 0.995 281 V HN 0.673 nan 8.190 nan 0.000 0.424 282 L N 5.245 126.472 121.223 0.007 0.000 2.262 282 L HA 0.879 5.223 4.340 0.007 0.000 0.288 282 L C 0.500 177.363 176.870 -0.012 0.000 1.035 282 L CA 0.626 55.475 54.840 0.014 0.000 0.820 282 L CB 0.822 42.908 42.059 0.045 0.000 1.204 282 L HN 0.715 nan 8.230 nan 0.000 0.424 283 G N 3.324 112.117 108.800 -0.011 0.000 2.753 283 G HA2 0.306 4.270 3.960 0.007 0.000 0.285 283 G HA3 0.306 4.270 3.960 0.007 0.000 0.285 283 G C 0.279 175.145 174.900 -0.057 0.000 1.344 283 G CA -0.504 44.575 45.100 -0.035 0.000 1.050 283 G HN 0.609 nan 8.290 nan 0.000 0.532 284 K N -0.541 119.818 120.400 -0.068 0.000 2.032 284 K HA -0.087 4.238 4.320 0.007 0.000 0.209 284 K C 1.989 178.569 176.600 -0.033 0.000 1.048 284 K CA 1.686 57.926 56.287 -0.077 0.000 0.927 284 K CB 0.062 32.521 32.500 -0.069 0.000 0.712 284 K HN 0.536 nan 8.250 nan 0.000 0.441 285 E N -0.265 119.929 120.200 -0.009 0.000 2.413 285 E HA 0.024 4.378 4.350 0.007 0.000 0.203 285 E C -0.405 176.215 176.600 0.034 0.000 0.957 285 E CA 0.128 56.535 56.400 0.012 0.000 0.950 285 E CB 0.660 30.366 29.700 0.010 0.000 0.957 285 E HN 0.187 nan 8.360 nan 0.000 0.497 286 D N 0.306 120.731 120.400 0.041 0.000 2.575 286 D HA 0.247 4.892 4.640 0.007 0.000 0.236 286 D C -1.127 175.207 176.300 0.057 0.000 1.075 286 D CA -0.539 53.504 54.000 0.071 0.000 0.860 286 D CB 2.156 43.025 40.800 0.115 0.000 1.475 286 D HN -0.086 nan 8.370 nan 0.000 0.474 287 L N 1.464 122.719 121.223 0.054 0.000 2.296 287 L HA 0.517 4.862 4.340 0.007 0.000 0.286 287 L C -0.916 175.962 176.870 0.014 0.000 1.023 287 L CA 0.020 54.873 54.840 0.022 0.000 0.812 287 L CB 0.974 43.027 42.059 -0.010 0.000 1.223 287 L HN 0.326 nan 8.230 nan 0.000 0.421 288 T N 6.396 120.943 114.554 -0.011 0.000 2.841 288 T HA 0.624 4.979 4.350 0.007 0.000 0.283 288 T C -0.184 174.453 174.700 -0.106 0.000 1.000 288 T CA -0.304 61.744 62.100 -0.086 0.000 0.977 288 T CB 1.896 70.731 68.868 -0.056 0.000 0.979 288 T HN 0.464 nan 8.240 nan 0.000 0.446 289 I N 2.653 123.127 120.570 -0.161 0.000 2.439 289 I HA 0.431 4.605 4.170 0.007 0.000 0.285 289 I C -0.188 175.855 176.117 -0.124 0.000 1.021 289 I CA -0.760 60.476 61.300 -0.107 0.000 1.091 289 I CB 1.823 39.768 38.000 -0.092 0.000 1.242 289 I HN 0.338 nan 8.210 nan 0.000 0.439 290 K N 7.441 127.799 120.400 -0.070 0.000 2.244 290 K HA 0.676 5.000 4.320 0.007 0.000 0.260 290 K C -1.284 175.320 176.600 0.006 0.000 0.951 290 K CA -0.511 55.749 56.287 -0.045 0.000 0.826 290 K CB 1.467 33.951 32.500 -0.026 0.000 1.108 290 K HN 0.569 nan 8.250 nan 0.000 0.433 291 I N 3.242 123.820 120.570 0.013 0.000 2.382 291 I HA 0.170 4.344 4.170 0.007 0.000 0.285 291 I C -0.779 175.383 176.117 0.075 0.000 1.007 291 I CA -0.496 60.847 61.300 0.072 0.000 1.142 291 I CB 1.964 39.971 38.000 0.012 0.000 1.289 291 I HN 0.511 nan 8.210 nan 0.000 0.453 292 S N 4.640 120.392 115.700 0.086 0.000 2.454 292 S HA 0.514 4.988 4.470 0.007 0.000 0.306 292 S C -0.782 173.847 174.600 0.048 0.000 1.100 292 S CA -0.790 57.448 58.200 0.063 0.000 1.087 292 S CB 1.389 64.626 63.200 0.061 0.000 1.019 292 S HN 0.711 nan 8.310 nan 0.000 0.480 293 D N 0.597 121.002 120.400 0.007 0.000 2.477 293 D HA 0.448 5.092 4.640 0.007 0.000 0.234 293 D C -0.483 175.725 176.300 -0.152 0.000 1.048 293 D CA -1.073 52.906 54.000 -0.036 0.000 0.959 293 D CB 0.842 41.629 40.800 -0.022 0.000 1.408 293 D HN 0.262 nan 8.370 nan 0.000 0.496 294 R N 0.060 120.443 120.500 -0.196 0.000 3.130 294 R HA 0.391 4.735 4.340 0.007 0.000 0.348 294 R C 0.656 176.828 176.300 -0.214 0.000 1.241 294 R CA -0.367 55.514 56.100 -0.364 0.000 1.141 294 R CB 0.790 30.861 30.300 -0.381 0.000 1.453 294 R HN 0.634 nan 8.270 nan 0.000 0.590 295 G N -0.727 107.943 108.800 -0.216 0.000 3.314 295 G HA2 0.210 4.175 3.960 0.007 0.000 0.238 295 G HA3 0.210 4.175 3.960 0.007 0.000 0.238 295 G C 1.020 175.635 174.900 -0.474 0.000 1.184 295 G CA 0.392 45.370 45.100 -0.204 0.000 0.806 295 G HN 0.529 nan 8.290 nan 0.000 0.536 296 G N -1.077 107.284 108.800 -0.731 0.000 2.253 296 G HA2 0.161 4.125 3.960 0.007 0.000 0.251 296 G HA3 0.161 4.125 3.960 0.007 0.000 0.251 296 G C 1.224 175.913 174.900 -0.353 0.000 0.998 296 G CA 0.662 45.180 45.100 -0.970 0.000 0.621 296 G HN 2.120 nan 8.290 nan 0.000 0.524 297 G N -2.088 106.577 108.800 -0.225 0.000 2.698 297 G HA2 0.211 4.176 3.960 0.007 0.000 0.233 297 G HA3 0.211 4.176 3.960 0.007 0.000 0.233 297 G C -0.257 174.604 174.900 -0.065 0.000 1.352 297 G CA 0.240 45.283 45.100 -0.095 0.000 0.879 297 G HN 1.672 nan 8.290 nan 0.000 0.567 298 V N 1.209 121.107 119.914 -0.026 0.000 2.888 298 V HA 0.584 4.709 4.120 0.007 0.000 0.309 298 V C -2.152 173.943 176.094 0.002 0.000 1.114 298 V CA -0.975 61.318 62.300 -0.012 0.000 0.940 298 V CB 2.439 34.252 31.823 -0.016 0.000 1.021 298 V HN 0.797 nan 8.190 nan 0.000 0.426 299 P HA 0.056 nan 4.420 nan 0.000 0.264 299 P C 0.641 177.942 177.300 0.002 0.000 1.183 299 P CA -0.027 63.078 63.100 0.007 0.000 0.763 299 P CB 0.586 32.291 31.700 0.009 0.000 0.807 300 L N 4.632 125.858 121.223 0.006 0.000 2.131 300 L HA -0.132 4.212 4.340 0.007 0.000 0.210 300 L C 2.363 179.226 176.870 -0.011 0.000 1.092 300 L CA 1.677 56.519 54.840 0.004 0.000 0.759 300 L CB -0.737 41.328 42.059 0.011 0.000 0.903 300 L HN 0.279 nan 8.230 nan 0.000 0.435 301 R N 0.299 120.792 120.500 -0.012 0.000 2.134 301 R HA -0.214 4.130 4.340 0.007 0.000 0.248 301 R C 2.072 178.349 176.300 -0.038 0.000 1.143 301 R CA 2.532 58.620 56.100 -0.020 0.000 0.957 301 R CB -0.577 29.716 30.300 -0.011 0.000 0.867 301 R HN 0.740 nan 8.270 nan 0.000 0.441 302 I N -2.582 117.961 120.570 -0.044 0.000 3.883 302 I HA 0.058 4.232 4.170 0.007 0.000 0.326 302 I C 1.426 177.477 176.117 -0.111 0.000 1.283 302 I CA -0.106 61.138 61.300 -0.093 0.000 1.161 302 I CB 0.126 38.080 38.000 -0.076 0.000 1.012 302 I HN 0.010 nan 8.210 nan 0.000 0.421 303 I N 2.221 122.758 120.570 -0.054 0.000 2.151 303 I HA -0.266 3.908 4.170 0.007 0.000 0.243 303 I C 2.025 178.156 176.117 0.023 0.000 1.080 303 I CA 1.841 63.130 61.300 -0.018 0.000 1.339 303 I CB -0.880 37.120 38.000 -0.001 0.000 1.039 303 I HN 0.351 nan 8.210 nan 0.000 0.409 304 D N 0.259 120.654 120.400 -0.008 0.000 2.097 304 D HA -0.159 4.485 4.640 0.007 0.000 0.197 304 D C 2.269 178.552 176.300 -0.029 0.000 0.984 304 D CA 0.848 54.859 54.000 0.019 0.000 0.826 304 D CB -0.278 40.506 40.800 -0.027 0.000 0.973 304 D HN 0.165 nan 8.370 nan 0.000 0.460 305 R N 0.216 120.613 120.500 -0.171 0.000 2.153 305 R HA -0.163 4.181 4.340 0.007 0.000 0.252 305 R C 2.345 178.346 176.300 -0.499 0.000 1.158 305 R CA 0.943 56.804 56.100 -0.399 0.000 0.975 305 R CB -0.336 29.562 30.300 -0.669 0.000 0.871 305 R HN 0.244 nan 8.270 nan 0.000 0.450 306 L N -0.981 120.023 121.223 -0.365 0.000 2.127 306 L HA -0.185 4.160 4.340 0.007 0.000 0.211 306 L C 1.574 178.269 176.870 -0.290 0.000 1.089 306 L CA 1.166 55.834 54.840 -0.286 0.000 0.757 306 L CB -0.312 41.587 42.059 -0.268 0.000 0.899 306 L HN 0.174 nan 8.230 nan 0.000 0.434 307 F N -0.331 119.527 119.950 -0.152 0.000 2.773 307 F HA 0.073 4.601 4.527 0.001 0.000 0.304 307 F C 1.348 177.013 175.800 -0.226 0.000 1.129 307 F CA -0.111 57.786 58.000 -0.170 0.000 1.378 307 F CB -0.076 38.835 39.000 -0.147 0.000 1.095 307 F HN -0.139 nan 8.300 nan 0.000 0.565 308 S N -0.267 115.408 115.700 -0.042 0.000 2.548 308 S HA 0.167 4.641 4.470 0.007 0.000 0.277 308 S C -0.495 174.068 174.600 -0.062 0.000 1.315 308 S CA -0.451 57.739 58.200 -0.017 0.000 1.050 308 S CB 0.089 63.322 63.200 0.054 0.000 0.918 308 S HN 0.086 nan 8.310 nan 0.000 0.497 309 Y N 2.263 122.589 120.300 0.044 0.000 2.717 309 Y HA 0.048 4.603 4.550 0.008 0.000 0.330 309 Y C 2.034 178.015 175.900 0.135 0.000 1.217 309 Y CA 1.326 59.394 58.100 -0.054 0.000 1.506 309 Y CB 0.054 38.452 38.460 -0.102 0.000 1.268 309 Y HN 1.062 nan 8.280 nan 0.000 0.561 310 T N -0.727 114.038 114.554 0.352 0.000 6.424 310 T HA -0.348 4.006 4.350 0.007 0.000 0.279 310 T C -0.153 174.687 174.700 0.232 0.000 2.176 310 T CA 0.703 63.029 62.100 0.377 0.000 3.628 310 T CB -2.518 66.562 68.868 0.354 0.000 1.165 310 T HN 0.632 nan 8.240 nan 0.000 1.080 311 Y N 2.704 123.060 120.300 0.093 0.000 2.496 311 Y HA 0.535 5.089 4.550 0.007 0.000 0.334 311 Y C 0.338 176.246 175.900 0.015 0.000 1.080 311 Y CA 0.673 58.797 58.100 0.039 0.000 1.355 311 Y CB 0.724 39.184 38.460 0.001 0.000 1.193 311 Y HN 0.624 nan 8.280 nan 0.000 0.523 312 S N 3.112 118.398 115.700 -0.691 0.000 2.537 312 S HA 0.223 4.697 4.470 0.007 0.000 0.271 312 S C 0.274 174.531 174.600 -0.571 0.000 1.148 312 S CA -0.189 57.729 58.200 -0.471 0.000 0.868 312 S CB 0.909 63.992 63.200 -0.196 0.000 1.115 312 S HN 0.795 nan 8.310 nan 0.000 0.461 313 T N 1.026 115.365 114.554 -0.359 0.000 3.148 313 T HA 0.490 4.845 4.350 0.007 0.000 0.253 313 T C 0.666 175.272 174.700 -0.157 0.000 1.134 313 T CA 0.402 62.369 62.100 -0.222 0.000 1.051 313 T CB -0.205 68.602 68.868 -0.103 0.000 0.959 313 T HN 0.931 nan 8.240 nan 0.000 0.525 314 A N 1.955 124.674 122.820 -0.169 0.000 2.320 314 A HA 0.758 5.082 4.320 0.007 0.000 0.334 314 A C -2.662 174.827 177.584 -0.158 0.000 1.147 314 A CA -2.221 49.730 52.037 -0.143 0.000 0.820 314 A CB 0.537 19.446 19.000 -0.152 0.000 1.218 314 A HN 0.179 nan 8.150 nan 0.000 0.482 315 P HA 0.162 nan 4.420 nan 0.000 0.267 315 P C -0.196 176.986 177.300 -0.196 0.000 1.200 315 P CA 0.288 63.307 63.100 -0.135 0.000 0.772 315 P CB 0.298 31.936 31.700 -0.103 0.000 0.855 316 T N 4.539 118.977 114.554 -0.194 0.000 2.834 316 T HA 0.242 4.596 4.350 0.007 0.000 0.298 316 T C -1.940 172.552 174.700 -0.347 0.000 0.966 316 T CA -0.613 61.303 62.100 -0.307 0.000 1.141 316 T CB -0.333 68.438 68.868 -0.163 0.000 0.905 316 T HN 0.326 nan 8.240 nan 0.000 0.535 317 P HA 0.232 nan 4.420 nan 0.000 0.274 317 P C 0.877 178.068 177.300 -0.181 0.000 1.246 317 P CA -0.603 62.285 63.100 -0.352 0.000 0.795 317 P CB 0.516 31.994 31.700 -0.369 0.000 1.006 318 V N -0.586 119.307 119.914 -0.034 0.000 2.323 318 V HA -0.086 4.038 4.120 0.007 0.000 0.244 318 V C 1.250 177.433 176.094 0.149 0.000 1.041 318 V CA 1.821 64.153 62.300 0.053 0.000 1.025 318 V CB -1.182 30.663 31.823 0.037 0.000 0.656 318 V HN 0.515 nan 8.190 nan 0.000 0.451 326 P HA 0.507 nan 4.420 nan 0.000 0.290 326 P C 0.762 178.058 177.300 -0.008 0.000 1.276 326 P CA -0.501 62.692 63.100 0.154 0.000 0.808 326 P CB 1.713 33.483 31.700 0.117 0.000 0.966 327 L N 2.586 123.576 121.223 -0.388 0.000 2.034 327 L HA 0.328 4.672 4.340 0.007 0.000 0.203 327 L C 0.726 177.422 176.870 -0.289 0.000 1.074 327 L CA 1.702 56.258 54.840 -0.473 0.000 0.748 327 L CB -0.751 40.727 42.059 -0.968 0.000 0.905 327 L HN 0.565 nan 8.230 nan 0.000 0.439 328 A N -3.004 119.633 122.820 -0.305 0.000 2.527 328 A HA 0.660 4.984 4.320 0.007 0.000 0.293 328 A C 0.347 177.805 177.584 -0.211 0.000 1.117 328 A CA -0.001 51.920 52.037 -0.194 0.000 0.723 328 A CB 1.261 20.154 19.000 -0.178 0.000 1.313 328 A HN 0.639 nan 8.150 nan 0.000 0.411 329 G N -1.464 107.231 108.800 -0.174 0.000 2.901 329 G HA2 -0.104 3.860 3.960 0.007 0.000 0.194 329 G HA3 -0.104 3.860 3.960 0.007 0.000 0.194 329 G C 0.506 175.256 174.900 -0.250 0.000 1.020 329 G CA 0.520 45.467 45.100 -0.255 0.000 0.787 329 G HN 0.595 nan 8.290 nan 0.000 0.477 330 F N 1.726 121.678 119.950 0.003 0.000 2.456 330 F HA 0.384 4.915 4.527 0.007 0.000 0.298 330 F C 2.193 178.112 175.800 0.198 0.000 1.104 330 F CA 1.514 59.546 58.000 0.054 0.000 1.435 330 F CB 0.086 39.075 39.000 -0.018 0.000 1.078 330 F HN 0.827 nan 8.300 nan 0.000 0.546 331 G N -0.821 108.165 108.800 0.309 0.000 2.225 331 G HA2 -0.345 3.620 3.960 0.007 0.000 0.264 331 G HA3 -0.345 3.620 3.960 0.007 0.000 0.264 331 G C 0.399 175.519 174.900 0.366 0.000 1.060 331 G CA 0.352 45.609 45.100 0.261 0.000 0.833 331 G HN 0.388 nan 8.290 nan 0.000 0.498 332 Y N -0.504 119.870 120.300 0.124 0.000 2.444 332 Y HA 0.311 4.866 4.550 0.008 0.000 0.252 332 Y C 2.647 178.581 175.900 0.057 0.000 1.091 332 Y CA 0.665 58.832 58.100 0.112 0.000 1.276 332 Y CB -0.131 38.418 38.460 0.147 0.000 1.170 332 Y HN 0.246 nan 8.280 nan 0.000 0.517 333 G N 0.620 109.514 108.800 0.155 0.000 2.491 333 G HA2 -0.247 3.718 3.960 0.007 0.000 0.218 333 G HA3 -0.247 3.718 3.960 0.007 0.000 0.218 333 G C 1.673 176.577 174.900 0.008 0.000 1.180 333 G CA 1.271 46.413 45.100 0.069 0.000 0.774 333 G HN 0.315 nan 8.290 nan 0.000 0.562 334 L N 1.293 122.441 121.223 -0.126 0.000 1.988 334 L HA -0.034 4.310 4.340 0.007 0.000 0.207 334 L C 0.446 177.288 176.870 -0.046 0.000 1.071 334 L CA 1.412 56.108 54.840 -0.239 0.000 0.744 334 L CB -1.240 40.349 42.059 -0.784 0.000 0.893 334 L HN 0.211 nan 8.230 nan 0.000 0.433 335 P HA -0.178 nan 4.420 nan 0.000 0.217 335 P C 1.806 179.091 177.300 -0.024 0.000 1.150 335 P CA 1.537 64.535 63.100 -0.170 0.000 0.832 335 P CB -0.027 31.120 31.700 -0.923 0.000 0.787 336 I N 0.155 120.738 120.570 0.022 0.000 2.252 336 I HA -0.124 4.051 4.170 0.007 0.000 0.245 336 I C 2.394 178.641 176.117 0.217 0.000 1.102 336 I CA 1.368 62.736 61.300 0.113 0.000 1.385 336 I CB -1.726 36.391 38.000 0.195 0.000 1.064 336 I HN -0.026 nan 8.210 nan 0.000 0.414 337 S N 0.387 116.266 115.700 0.298 0.000 2.382 337 S HA -0.177 4.298 4.470 0.007 0.000 0.228 337 S C 2.109 176.886 174.600 0.295 0.000 1.027 337 S CA 1.033 59.454 58.200 0.369 0.000 0.991 337 S CB -0.290 63.053 63.200 0.238 0.000 0.823 337 S HN 0.375 nan 8.310 nan 0.000 0.469 338 R N 0.967 121.610 120.500 0.238 0.000 2.092 338 R HA 0.013 4.358 4.340 0.007 0.000 0.231 338 R C 2.124 178.514 176.300 0.150 0.000 1.119 338 R CA 0.933 57.155 56.100 0.203 0.000 0.970 338 R CB -0.378 30.041 30.300 0.198 0.000 0.864 338 R HN 0.375 nan 8.270 nan 0.000 0.440 339 L N -0.331 120.949 121.223 0.095 0.000 2.046 339 L HA -0.226 4.119 4.340 0.007 0.000 0.208 339 L C 2.258 179.137 176.870 0.016 0.000 1.077 339 L CA 1.626 56.468 54.840 0.004 0.000 0.747 339 L CB -0.667 41.324 42.059 -0.113 0.000 0.896 339 L HN 0.265 nan 8.230 nan 0.000 0.432 340 Y N -0.271 120.074 120.300 0.075 0.000 2.165 340 Y HA -0.291 4.264 4.550 0.007 0.000 0.286 340 Y C 2.676 178.745 175.900 0.282 0.000 1.155 340 Y CA 1.109 59.275 58.100 0.110 0.000 1.164 340 Y CB -0.350 38.154 38.460 0.073 0.000 0.978 340 Y HN 0.177 nan 8.280 nan 0.000 0.513 341 A N 0.239 123.298 122.820 0.397 0.000 1.902 341 A HA -0.195 4.129 4.320 0.007 0.000 0.217 341 A C 2.062 179.826 177.584 0.300 0.000 1.181 341 A CA 1.763 54.005 52.037 0.341 0.000 0.623 341 A CB -0.431 18.721 19.000 0.253 0.000 0.818 341 A HN 0.393 nan 8.150 nan 0.000 0.443 342 K N -1.772 118.762 120.400 0.223 0.000 2.288 342 K HA -0.080 4.244 4.320 0.007 0.000 0.201 342 K C 1.816 178.513 176.600 0.160 0.000 1.048 342 K CA 1.046 57.429 56.287 0.161 0.000 0.956 342 K CB -0.283 32.275 32.500 0.097 0.000 0.746 342 K HN 0.576 nan 8.250 nan 0.000 0.461 343 Y N 0.753 121.073 120.300 0.034 0.000 2.151 343 Y HA -0.203 4.351 4.550 0.007 0.000 0.284 343 Y C 0.800 176.587 175.900 -0.189 0.000 1.166 343 Y CA 1.440 59.461 58.100 -0.132 0.000 1.163 343 Y CB -0.189 38.138 38.460 -0.223 0.000 0.974 343 Y HN -0.073 nan 8.280 nan 0.000 0.511 344 F N 1.474 121.413 119.950 -0.017 0.000 2.925 344 F HA 0.198 4.730 4.527 0.008 0.000 0.302 344 F C 0.350 176.166 175.800 0.027 0.000 1.189 344 F CA -0.346 57.590 58.000 -0.106 0.000 1.346 344 F CB 0.106 39.077 39.000 -0.048 0.000 0.954 344 F HN -0.032 nan 8.300 nan 0.000 0.506 345 Q N -1.030 118.867 119.800 0.162 0.000 2.493 345 Q HA -0.155 4.190 4.340 0.007 0.000 0.260 345 Q C 0.594 176.683 176.000 0.147 0.000 0.905 345 Q CA 0.772 56.650 55.803 0.125 0.000 1.140 345 Q CB -2.007 26.789 28.738 0.097 0.000 1.435 345 Q HN 0.651 nan 8.270 nan 0.000 0.581 346 G N -0.379 108.545 108.800 0.208 0.000 2.531 346 G HA2 0.488 4.453 3.960 0.007 0.000 0.253 346 G HA3 0.488 4.453 3.960 0.007 0.000 0.253 346 G C -0.384 174.625 174.900 0.183 0.000 1.439 346 G CA 0.419 45.644 45.100 0.209 0.000 1.056 346 G HN 0.137 nan 8.290 nan 0.000 0.555 347 D N -2.354 118.194 120.400 0.246 0.000 2.671 347 D HA 0.483 5.128 4.640 0.007 0.000 0.273 347 D C -1.689 174.793 176.300 0.303 0.000 1.264 347 D CA -0.457 53.676 54.000 0.222 0.000 0.788 347 D CB 1.921 42.801 40.800 0.134 0.000 1.324 347 D HN 0.316 nan 8.370 nan 0.000 0.424 348 L N 1.996 123.347 121.223 0.212 0.000 2.470 348 L HA 0.552 4.896 4.340 0.007 0.000 0.268 348 L C -1.594 175.350 176.870 0.124 0.000 0.964 348 L CA -0.515 54.439 54.840 0.189 0.000 0.839 348 L CB 1.433 43.603 42.059 0.186 0.000 1.276 348 L HN 0.267 nan 8.230 nan 0.000 0.403 349 N N 4.086 122.877 118.700 0.152 0.000 2.262 349 N HA 0.631 5.376 4.740 0.007 0.000 0.295 349 N C -1.781 173.700 175.510 -0.049 0.000 1.161 349 N CA -0.500 52.544 53.050 -0.010 0.000 0.767 349 N CB 2.931 41.467 38.487 0.081 0.000 1.499 349 N HN 0.363 nan 8.380 nan 0.000 0.476 350 L N 1.792 122.871 121.223 -0.241 0.000 2.385 350 L HA 0.496 4.840 4.340 0.007 0.000 0.273 350 L C -1.674 174.912 176.870 -0.473 0.000 0.990 350 L CA -0.449 54.299 54.840 -0.154 0.000 0.821 350 L CB 1.088 43.172 42.059 0.042 0.000 1.279 350 L HN 0.475 nan 8.230 nan 0.000 0.412 351 Y N 2.392 122.737 120.300 0.076 0.000 2.338 351 Y HA 0.626 5.181 4.550 0.008 0.000 0.333 351 Y C 0.050 175.978 175.900 0.047 0.000 0.968 351 Y CA -0.477 57.657 58.100 0.057 0.000 1.123 351 Y CB 2.387 40.879 38.460 0.053 0.000 1.165 351 Y HN 0.503 nan 8.280 nan 0.000 0.452 352 S N 3.847 119.638 115.700 0.152 0.000 2.532 352 S HA 0.720 5.194 4.470 0.007 0.000 0.301 352 S C -1.196 173.466 174.600 0.103 0.000 1.083 352 S CA -0.712 57.547 58.200 0.099 0.000 1.025 352 S CB 0.603 63.828 63.200 0.042 0.000 1.056 352 S HN 0.608 nan 8.310 nan 0.000 0.494 353 L N 3.473 124.761 121.223 0.109 0.000 2.313 353 L HA 0.444 4.789 4.340 0.007 0.000 0.273 353 L C 0.435 177.361 176.870 0.093 0.000 1.028 353 L CA -0.631 54.275 54.840 0.111 0.000 0.871 353 L CB 1.195 43.346 42.059 0.154 0.000 1.242 353 L HN 0.555 nan 8.230 nan 0.000 0.434 354 S N 2.245 117.979 115.700 0.056 0.000 2.515 354 S HA 0.358 4.833 4.470 0.007 0.000 0.285 354 S C 1.217 175.847 174.600 0.051 0.000 1.265 354 S CA 0.984 59.204 58.200 0.033 0.000 1.079 354 S CB 0.256 63.471 63.200 0.025 0.000 0.877 354 S HN 1.027 nan 8.310 nan 0.000 0.493 355 G N 3.646 112.467 108.800 0.034 0.000 2.179 355 G HA2 -0.253 3.712 3.960 0.007 0.000 0.220 355 G HA3 -0.253 3.712 3.960 0.007 0.000 0.220 355 G C 0.131 175.124 174.900 0.155 0.000 0.990 355 G CA 0.477 45.627 45.100 0.083 0.000 0.646 355 G HN 0.829 nan 8.290 nan 0.000 0.517 356 Y N 0.060 120.327 120.300 -0.056 0.000 3.199 356 Y HA 0.503 5.056 4.550 0.005 0.000 0.211 356 Y C 1.170 177.018 175.900 -0.085 0.000 0.959 356 Y CA 1.789 59.871 58.100 -0.030 0.000 1.528 356 Y CB 0.768 39.230 38.460 0.003 0.000 1.487 356 Y HN 0.983 nan 8.280 nan 0.000 0.403 357 G N -0.495 108.262 108.800 -0.072 0.000 2.342 357 G HA2 0.456 4.421 3.960 0.007 0.000 0.297 357 G HA3 0.456 4.421 3.960 0.007 0.000 0.297 357 G C -1.667 173.225 174.900 -0.013 0.000 1.313 357 G CA -0.292 44.701 45.100 -0.178 0.000 0.830 357 G HN 0.055 nan 8.290 nan 0.000 0.506 358 T N 0.816 115.357 114.554 -0.021 0.000 2.912 358 T HA 0.625 4.979 4.350 0.007 0.000 0.299 358 T C -1.789 172.944 174.700 0.055 0.000 1.052 358 T CA -0.588 61.529 62.100 0.028 0.000 0.996 358 T CB 2.007 70.870 68.868 -0.008 0.000 1.070 358 T HN 0.387 nan 8.240 nan 0.000 0.465 359 D N 1.958 122.421 120.400 0.104 0.000 2.344 359 D HA 0.588 5.232 4.640 0.007 0.000 0.239 359 D C -0.560 175.810 176.300 0.117 0.000 1.064 359 D CA -0.273 53.797 54.000 0.116 0.000 0.829 359 D CB 1.665 42.562 40.800 0.162 0.000 1.129 359 D HN 0.671 nan 8.370 nan 0.000 0.506 360 A N 3.261 126.117 122.820 0.059 0.000 2.292 360 A HA 0.710 5.035 4.320 0.007 0.000 0.319 360 A C -0.244 177.345 177.584 0.009 0.000 1.206 360 A CA -0.555 51.502 52.037 0.033 0.000 0.835 360 A CB 0.543 19.528 19.000 -0.024 0.000 1.164 360 A HN 0.576 nan 8.150 nan 0.000 0.505 361 I N 3.268 123.843 120.570 0.008 0.000 2.499 361 I HA 0.329 4.503 4.170 0.007 0.000 0.288 361 I C -0.899 175.077 176.117 -0.236 0.000 1.048 361 I CA -0.270 60.944 61.300 -0.144 0.000 1.062 361 I CB 1.860 39.761 38.000 -0.166 0.000 1.238 361 I HN 0.514 nan 8.210 nan 0.000 0.426 362 I N 6.115 126.513 120.570 -0.286 0.000 2.359 362 I HA 0.322 4.497 4.170 0.007 0.000 0.294 362 I C -1.075 174.837 176.117 -0.342 0.000 0.987 362 I CA -0.541 60.645 61.300 -0.191 0.000 1.225 362 I CB 1.088 39.027 38.000 -0.101 0.000 1.366 362 I HN 0.378 nan 8.210 nan 0.000 0.466 363 Y N 6.327 126.650 120.300 0.039 0.000 2.341 363 Y HA 0.646 5.199 4.550 0.006 0.000 0.338 363 Y C -0.342 175.575 175.900 0.029 0.000 0.965 363 Y CA -0.732 57.386 58.100 0.030 0.000 1.108 363 Y CB 1.464 39.951 38.460 0.044 0.000 1.180 363 Y HN 0.278 nan 8.280 nan 0.000 0.458 364 L N 3.643 124.947 121.223 0.135 0.000 2.354 364 L HA 0.548 4.892 4.340 0.007 0.000 0.269 364 L C -0.486 176.447 176.870 0.104 0.000 1.005 364 L CA -1.468 53.418 54.840 0.077 0.000 0.819 364 L CB 1.616 43.584 42.059 -0.151 0.000 1.311 364 L HN 0.423 nan 8.230 nan 0.000 0.423 365 K N 1.185 121.666 120.400 0.135 0.000 2.350 365 K HA 0.228 4.552 4.320 0.007 0.000 0.279 365 K C 0.570 177.222 176.600 0.087 0.000 1.027 365 K CA -0.022 56.328 56.287 0.105 0.000 0.969 365 K CB 1.625 34.189 32.500 0.106 0.000 0.954 365 K HN 0.784 nan 8.250 nan 0.000 0.474 366 A N 4.049 126.910 122.820 0.068 0.000 2.178 366 A HA 0.113 4.437 4.320 0.007 0.000 0.211 366 A C 0.643 178.268 177.584 0.069 0.000 1.157 366 A CA 0.445 52.523 52.037 0.069 0.000 0.780 366 A CB 0.112 19.148 19.000 0.061 0.000 0.828 366 A HN 0.543 nan 8.150 nan 0.000 0.476 367 L N 0.602 121.857 121.223 0.053 0.000 2.313 367 L HA 0.220 4.564 4.340 0.007 0.000 0.283 367 L C 1.560 178.438 176.870 0.014 0.000 1.013 367 L CA -0.111 54.752 54.840 0.038 0.000 0.816 367 L CB 1.830 43.908 42.059 0.032 0.000 1.236 367 L HN 0.383 nan 8.230 nan 0.000 0.419 368 S N 0.017 115.711 115.700 -0.010 0.000 2.419 368 S HA -0.166 4.308 4.470 0.007 0.000 0.233 368 S C 1.752 176.318 174.600 -0.057 0.000 1.016 368 S CA 1.138 59.300 58.200 -0.064 0.000 0.974 368 S CB -0.209 62.940 63.200 -0.085 0.000 0.786 368 S HN 0.789 nan 8.310 nan 0.000 0.492 369 S N 1.499 117.186 115.700 -0.021 0.000 2.453 369 S HA 0.051 4.526 4.470 0.007 0.000 0.231 369 S C 1.537 176.138 174.600 0.003 0.000 1.005 369 S CA 0.643 58.837 58.200 -0.010 0.000 0.949 369 S CB -0.438 62.763 63.200 0.002 0.000 0.774 369 S HN 0.688 nan 8.310 nan 0.000 0.510 370 E N 1.239 121.446 120.200 0.010 0.000 2.447 370 E HA 0.165 4.520 4.350 0.007 0.000 0.195 370 E C -0.256 176.371 176.600 0.046 0.000 1.028 370 E CA -0.043 56.374 56.400 0.028 0.000 0.876 370 E CB 0.274 29.994 29.700 0.032 0.000 0.885 370 E HN 0.356 nan 8.360 nan 0.000 0.500 371 S N 1.566 117.279 115.700 0.023 0.000 3.036 371 S HA 0.275 4.749 4.470 0.007 0.000 0.301 371 S C -0.114 174.566 174.600 0.133 0.000 1.205 371 S CA -0.060 58.171 58.200 0.052 0.000 0.999 371 S CB -0.081 63.032 63.200 -0.146 0.000 1.337 371 S HN 0.109 nan 8.310 nan 0.000 0.515 372 I N 2.133 122.808 120.570 0.174 0.000 2.404 372 I HA 0.217 4.392 4.170 0.007 0.000 0.293 372 I C 0.439 176.580 176.117 0.041 0.000 0.992 372 I CA -0.685 60.691 61.300 0.127 0.000 1.149 372 I CB 1.464 39.501 38.000 0.063 0.000 1.315 372 I HN 0.388 nan 8.210 nan 0.000 0.446 373 E N 5.007 125.153 120.200 -0.090 0.000 2.608 373 E HA -0.113 4.241 4.350 0.007 0.000 0.259 373 E C -0.287 176.216 176.600 -0.162 0.000 0.951 373 E CA 0.532 56.684 56.400 -0.412 0.000 0.945 373 E CB 0.464 30.043 29.700 -0.202 0.000 0.916 373 E HN 0.287 nan 8.360 nan 0.000 0.477 374 K N 4.696 125.008 120.400 -0.146 0.000 2.334 374 K HA 0.292 4.617 4.320 0.007 0.000 0.265 374 K C -1.242 175.390 176.600 0.053 0.000 1.039 374 K CA -0.291 55.994 56.287 -0.004 0.000 0.920 374 K CB 0.299 32.808 32.500 0.014 0.000 1.160 374 K HN 0.361 nan 8.250 nan 0.000 0.451 375 L N 5.802 127.049 121.223 0.042 0.000 2.346 375 L HA 0.589 4.933 4.340 0.007 0.000 0.276 375 L C -1.977 174.904 176.870 0.018 0.000 1.006 375 L CA -2.287 52.579 54.840 0.043 0.000 0.817 375 L CB 1.707 43.804 42.059 0.064 0.000 1.272 375 L HN 0.655 nan 8.230 nan 0.000 0.421 376 P HA 0.312 nan 4.420 nan 0.000 0.279 376 P C -1.055 176.278 177.300 0.055 0.000 1.239 376 P CA -0.337 62.758 63.100 -0.008 0.000 0.789 376 P CB 1.775 33.437 31.700 -0.062 0.000 0.933 377 V N 3.224 123.189 119.914 0.084 0.000 2.604 377 V HA 0.284 4.408 4.120 0.007 0.000 0.305 377 V C -0.373 175.841 176.094 0.201 0.000 1.043 377 V CA -0.690 61.689 62.300 0.132 0.000 0.888 377 V CB 1.639 33.519 31.823 0.094 0.000 0.995 377 V HN 0.458 nan 8.190 nan 0.000 0.429 378 F N 6.932 126.953 119.950 0.118 0.000 2.404 378 F HA 0.587 5.117 4.527 0.006 0.000 0.359 378 F C 0.197 176.082 175.800 0.142 0.000 1.134 378 F CA -0.309 57.789 58.000 0.164 0.000 1.160 378 F CB 0.001 39.103 39.000 0.170 0.000 1.186 378 F HN 0.799 nan 8.300 nan 0.000 0.526 379 N N 3.296 121.750 118.700 -0.409 0.000 3.204 379 N HA 0.226 4.970 4.740 0.007 0.000 0.285 379 N C 0.335 175.672 175.510 -0.288 0.000 1.536 379 N CA -0.925 51.936 53.050 -0.314 0.000 0.832 379 N CB 0.713 39.144 38.487 -0.093 0.000 1.645 379 N HN 0.323 nan 8.380 nan 0.000 0.586 380 K N -0.306 120.002 120.400 -0.153 0.000 2.089 380 K HA -0.217 4.107 4.320 0.007 0.000 0.210 380 K C 1.587 178.224 176.600 0.061 0.000 1.048 380 K CA 2.207 58.464 56.287 -0.050 0.000 0.926 380 K CB -0.391 32.087 32.500 -0.036 0.000 0.714 380 K HN 0.506 nan 8.250 nan 0.000 0.448 381 S N -0.477 115.253 115.700 0.051 0.000 2.383 381 S HA -0.083 4.391 4.470 0.007 0.000 0.227 381 S C 1.931 176.650 174.600 0.199 0.000 1.026 381 S CA 1.111 59.382 58.200 0.119 0.000 0.981 381 S CB -0.276 62.987 63.200 0.105 0.000 0.818 381 S HN 0.471 nan 8.310 nan 0.000 0.472 382 A N 0.498 123.410 122.820 0.154 0.000 1.933 382 A HA 0.025 4.350 4.320 0.007 0.000 0.218 382 A C 1.961 179.747 177.584 0.337 0.000 1.175 382 A CA 1.466 53.654 52.037 0.252 0.000 0.628 382 A CB -1.065 18.103 19.000 0.279 0.000 0.814 382 A HN 0.674 nan 8.150 nan 0.000 0.444 383 F N 0.860 120.877 119.950 0.112 0.000 2.134 383 F HA -0.151 4.382 4.527 0.010 0.000 0.299 383 F C 2.181 178.096 175.800 0.192 0.000 1.097 383 F CA 2.133 60.266 58.000 0.222 0.000 1.264 383 F CB -0.076 38.947 39.000 0.038 0.000 1.001 383 F HN 0.114 nan 8.300 nan 0.000 0.479 384 K N -1.033 119.499 120.400 0.220 0.000 2.097 384 K HA -0.201 4.124 4.320 0.007 0.000 0.205 384 K C 1.849 178.392 176.600 -0.095 0.000 1.050 384 K CA 1.652 57.973 56.287 0.057 0.000 0.938 384 K CB -0.563 31.972 32.500 0.059 0.000 0.718 384 K HN 0.377 nan 8.250 nan 0.000 0.442 385 H N -0.451 118.502 119.070 -0.194 0.000 2.352 385 H HA -0.110 4.450 4.556 0.006 0.000 0.299 385 H C 0.420 175.460 175.328 -0.481 0.000 1.097 385 H CA 1.443 57.216 56.048 -0.458 0.000 1.311 385 H CB -0.110 29.132 29.762 -0.866 0.000 1.377 385 H HN 0.071 nan 8.280 nan 0.000 0.504 395 W N 0.000 121.296 121.300 -0.006 0.000 2.388 395 W HA 0.000 4.666 4.660 0.011 0.000 0.303 395 W CA 0.000 57.342 57.345 -0.005 0.000 1.226 395 W CB 0.000 29.457 29.460 -0.004 0.000 1.126 395 W HN 0.000 nan 8.180 nan 0.000 0.535