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 1oza_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKNVGFIGWR GMVGSVLMDR MSQENDFENL NPVFFTTSQA XXXXXXXXXX DATA SEQUENCE XXXXLKSAFD IEELKKLDII VTCQGGDYTN EVYPKLKATG WDGYWVDAAS DATA SEQUENCE ALLMKDDAII VLDPVNQHVI SEGLKKGIKT FVGGNCTVSL MLMAIGGLFE DATA SEQUENCE KDLVEWISVA TYQAASGAGA KNMRELLSQM GLLEQAVSSE LKDPASSILD DATA SEQUENCE IERKVTAKMR ADNFPTDNFG AALGGSLIPW IDKLLPETGQ TKEEWKGYAE DATA SEQUENCE TNKILGLSDN PIPVDGLCVR IGALRCHSQA FTIKLKKDLP LEEIEQIIAS DATA SEQUENCE HNEWVKVIPN DKEITLRELT PAKVTGTLSV PVGRLRKLAM GPEYLAAFTV DATA SEQUENCE GDQLLWGAAE PVRRILKQLV A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.315 176.300 0.025 0.000 1.140 1 M CA 0.000 55.311 55.300 0.019 0.000 0.988 1 M CB 0.000 32.614 32.600 0.024 0.000 1.302 2 K N 1.942 122.355 120.400 0.020 0.000 2.355 2 K HA 0.279 4.601 4.320 0.003 0.000 0.270 2 K C -0.557 176.069 176.600 0.043 0.000 1.003 2 K CA -0.062 56.243 56.287 0.030 0.000 0.957 2 K CB 0.244 32.749 32.500 0.009 0.000 0.939 2 K HN 0.516 nan 8.250 nan 0.000 0.482 3 N N 1.558 120.294 118.700 0.060 0.000 2.426 3 N HA 0.183 4.925 4.740 0.003 0.000 0.257 3 N C -0.842 174.702 175.510 0.057 0.000 1.002 3 N CA -0.331 52.759 53.050 0.067 0.000 0.942 3 N CB 1.266 39.804 38.487 0.086 0.000 1.112 3 N HN 0.110 nan 8.380 nan 0.000 0.499 4 V N 0.714 120.642 119.914 0.023 0.000 2.448 4 V HA 0.598 4.720 4.120 0.003 0.000 0.295 4 V C 0.832 176.824 176.094 -0.169 0.000 1.025 4 V CA -1.040 61.195 62.300 -0.109 0.000 0.859 4 V CB 1.634 33.340 31.823 -0.195 0.000 0.988 4 V HN 0.628 nan 8.190 nan 0.000 0.431 5 G N 3.091 111.763 108.800 -0.213 0.000 2.377 5 G HA2 0.663 4.625 3.960 0.003 0.000 0.299 5 G HA3 0.663 4.625 3.960 0.003 0.000 0.299 5 G C -1.247 173.413 174.900 -0.399 0.000 1.150 5 G CA -0.237 44.844 45.100 -0.032 0.000 0.847 5 G HN 0.412 nan 8.290 nan 0.000 0.501 6 F N 0.906 120.884 119.950 0.046 0.000 2.493 6 F HA 0.543 5.071 4.527 0.002 0.000 0.329 6 F C -0.161 175.817 175.800 0.297 0.000 1.126 6 F CA -0.728 57.312 58.000 0.067 0.000 0.937 6 F CB 2.240 41.234 39.000 -0.010 0.000 1.146 6 F HN 0.127 nan 8.300 nan 0.000 0.442 7 I N 1.673 122.387 120.570 0.240 0.000 2.509 7 I HA 0.621 4.793 4.170 0.003 0.000 0.293 7 I C 0.633 176.782 176.117 0.053 0.000 1.020 7 I CA -0.675 60.674 61.300 0.082 0.000 1.088 7 I CB 1.746 39.531 38.000 -0.358 0.000 1.267 7 I HN 0.743 nan 8.210 nan 0.000 0.430 8 G N 4.451 113.213 108.800 -0.063 0.000 2.153 8 G HA2 -0.224 3.738 3.960 0.003 0.000 0.252 8 G HA3 -0.224 3.738 3.960 0.003 0.000 0.252 8 G C 0.638 175.503 174.900 -0.059 0.000 0.994 8 G CA 0.522 45.536 45.100 -0.143 0.000 0.698 8 G HN 0.896 nan 8.290 nan 0.000 0.521 9 W N -0.346 121.007 121.300 0.089 0.000 2.961 9 W HA 0.203 4.867 4.660 0.006 0.000 0.240 9 W C 1.195 177.738 176.519 0.041 0.000 1.305 9 W CA 0.536 57.951 57.345 0.117 0.000 1.465 9 W CB -0.494 29.109 29.460 0.238 0.000 1.135 9 W HN 0.364 nan 8.180 nan 0.000 0.688 10 R N 0.508 120.663 120.500 -0.575 0.000 2.362 10 R HA 0.179 4.521 4.340 0.003 0.000 0.227 10 R C 1.489 177.644 176.300 -0.241 0.000 0.905 10 R CA 0.337 56.141 56.100 -0.494 0.000 1.067 10 R CB 0.355 30.178 30.300 -0.794 0.000 1.078 10 R HN 0.030 nan 8.270 nan 0.000 0.516 11 G N 0.508 109.204 108.800 -0.174 0.000 2.621 11 G HA2 0.013 3.975 3.960 0.003 0.000 0.271 11 G HA3 0.013 3.975 3.960 0.003 0.000 0.271 11 G C 0.685 175.556 174.900 -0.048 0.000 1.236 11 G CA -0.520 44.521 45.100 -0.100 0.000 0.958 11 G HN 0.022 nan 8.290 nan 0.000 0.512 12 M N -0.435 119.146 119.600 -0.032 0.000 2.059 12 M HA -0.126 4.356 4.480 0.003 0.000 0.259 12 M C 2.476 178.777 176.300 0.001 0.000 1.072 12 M CA 1.718 57.010 55.300 -0.014 0.000 1.117 12 M CB -0.343 32.250 32.600 -0.011 0.000 1.320 12 M HN 0.255 nan 8.290 nan 0.000 0.408 13 V N 0.427 120.346 119.914 0.007 0.000 2.343 13 V HA -0.209 3.913 4.120 0.003 0.000 0.247 13 V C 2.591 178.709 176.094 0.039 0.000 1.051 13 V CA 2.110 64.421 62.300 0.018 0.000 1.036 13 V CB -1.753 30.084 31.823 0.024 0.000 0.654 13 V HN 0.768 nan 8.190 nan 0.000 0.451 14 G N -0.807 108.024 108.800 0.053 0.000 2.422 14 G HA2 -0.237 3.725 3.960 0.003 0.000 0.218 14 G HA3 -0.237 3.725 3.960 0.003 0.000 0.218 14 G C 1.839 176.821 174.900 0.136 0.000 1.146 14 G CA 1.202 46.372 45.100 0.117 0.000 0.769 14 G HN 0.514 nan 8.290 nan 0.000 0.547 15 S N -0.228 115.520 115.700 0.079 0.000 2.383 15 S HA -0.073 4.399 4.470 0.003 0.000 0.227 15 S C 2.486 177.123 174.600 0.062 0.000 1.026 15 S CA 0.978 59.225 58.200 0.079 0.000 0.981 15 S CB -0.119 63.099 63.200 0.030 0.000 0.818 15 S HN 0.189 nan 8.310 nan 0.000 0.472 16 V N 1.804 121.738 119.914 0.034 0.000 2.427 16 V HA -0.112 4.010 4.120 0.003 0.000 0.248 16 V C 2.198 178.299 176.094 0.012 0.000 1.051 16 V CA 1.317 63.622 62.300 0.008 0.000 1.048 16 V CB -0.583 31.230 31.823 -0.017 0.000 0.666 16 V HN 0.371 nan 8.190 nan 0.000 0.456 17 L N -0.523 120.725 121.223 0.040 0.000 2.017 17 L HA -0.136 4.206 4.340 0.003 0.000 0.208 17 L C 2.341 179.252 176.870 0.068 0.000 1.073 17 L CA 2.082 56.949 54.840 0.045 0.000 0.745 17 L CB -0.571 41.546 42.059 0.098 0.000 0.894 17 L HN 0.153 nan 8.230 nan 0.000 0.432 18 M N -0.613 119.068 119.600 0.136 0.000 2.080 18 M HA -0.206 4.276 4.480 0.003 0.000 0.260 18 M C 1.995 178.384 176.300 0.149 0.000 1.068 18 M CA 1.596 57.012 55.300 0.193 0.000 1.109 18 M CB -1.500 31.222 32.600 0.204 0.000 1.342 18 M HN 0.269 nan 8.290 nan 0.000 0.405 19 D N -0.212 120.237 120.400 0.082 0.000 2.097 19 D HA -0.114 4.528 4.640 0.003 0.000 0.195 19 D C 2.244 178.560 176.300 0.026 0.000 0.989 19 D CA 0.956 54.985 54.000 0.048 0.000 0.827 19 D CB -0.179 40.635 40.800 0.022 0.000 0.966 19 D HN 0.160 nan 8.370 nan 0.000 0.456 20 R N -0.042 120.454 120.500 -0.007 0.000 2.081 20 R HA 0.022 4.364 4.340 0.003 0.000 0.235 20 R C 2.383 178.651 176.300 -0.055 0.000 1.131 20 R CA 0.641 56.712 56.100 -0.048 0.000 0.960 20 R CB -0.619 29.624 30.300 -0.096 0.000 0.856 20 R HN 0.342 nan 8.270 nan 0.000 0.436 21 M N 0.146 119.704 119.600 -0.071 0.000 2.117 21 M HA -0.136 4.346 4.480 0.003 0.000 0.262 21 M C 2.251 178.513 176.300 -0.063 0.000 1.065 21 M CA 1.560 56.743 55.300 -0.195 0.000 1.114 21 M CB -0.168 32.128 32.600 -0.507 0.000 1.361 21 M HN 0.027 nan 8.290 nan 0.000 0.408 22 S N 0.159 115.941 115.700 0.138 0.000 2.356 22 S HA -0.177 4.295 4.470 0.003 0.000 0.223 22 S C 1.786 176.434 174.600 0.079 0.000 1.032 22 S CA 1.191 59.508 58.200 0.195 0.000 1.005 22 S CB -0.361 62.934 63.200 0.157 0.000 0.867 22 S HN 0.495 nan 8.310 nan 0.000 0.449 23 Q N 0.458 120.281 119.800 0.038 0.000 2.152 23 Q HA -0.134 4.208 4.340 0.003 0.000 0.206 23 Q C 1.384 177.390 176.000 0.010 0.000 0.985 23 Q CA 1.095 56.908 55.803 0.017 0.000 0.863 23 Q CB -0.099 28.640 28.738 0.002 0.000 0.904 23 Q HN 0.393 nan 8.270 nan 0.000 0.422 24 E N -0.007 120.189 120.200 -0.007 0.000 2.479 24 E HA 0.026 4.378 4.350 0.003 0.000 0.193 24 E C -0.325 176.268 176.600 -0.011 0.000 1.049 24 E CA -0.025 56.367 56.400 -0.014 0.000 0.870 24 E CB 0.066 29.744 29.700 -0.036 0.000 0.944 24 E HN 0.309 nan 8.360 nan 0.000 0.492 25 N N 1.587 120.294 118.700 0.011 0.000 2.735 25 N HA -0.164 4.578 4.740 0.003 0.000 0.248 25 N C 0.058 175.566 175.510 -0.004 0.000 1.083 25 N CA 0.810 53.882 53.050 0.036 0.000 0.703 25 N CB -0.628 37.878 38.487 0.031 0.000 1.005 25 N HN 0.115 nan 8.380 nan 0.000 0.550 26 D N -0.773 119.564 120.400 -0.105 0.000 2.219 26 D HA -0.084 4.558 4.640 0.003 0.000 0.205 26 D C 1.407 177.582 176.300 -0.209 0.000 0.970 26 D CA 0.938 54.817 54.000 -0.200 0.000 0.851 26 D CB -0.160 40.441 40.800 -0.332 0.000 0.943 26 D HN 0.516 nan 8.370 nan 0.000 0.488 27 F N 1.325 121.264 119.950 -0.018 0.000 2.451 27 F HA -0.064 4.464 4.527 0.002 0.000 0.299 27 F C 2.158 177.952 175.800 -0.011 0.000 1.101 27 F CA 0.585 58.573 58.000 -0.021 0.000 1.436 27 F CB -0.187 38.788 39.000 -0.041 0.000 1.074 27 F HN 0.061 nan 8.300 nan 0.000 0.553 28 E N -0.164 120.116 120.200 0.133 0.000 2.502 28 E HA -0.068 4.284 4.350 0.003 0.000 0.194 28 E C 0.543 177.171 176.600 0.047 0.000 1.062 28 E CA 0.682 57.131 56.400 0.081 0.000 0.867 28 E CB -0.560 29.174 29.700 0.055 0.000 0.888 28 E HN 0.500 nan 8.360 nan 0.000 0.510 29 N N 0.470 119.188 118.700 0.030 0.000 2.187 29 N HA 0.208 4.950 4.740 0.003 0.000 0.212 29 N C -0.865 174.653 175.510 0.014 0.000 1.152 29 N CA -0.250 52.805 53.050 0.009 0.000 0.872 29 N CB 0.501 38.977 38.487 -0.018 0.000 1.025 29 N HN 0.103 nan 8.380 nan 0.000 0.514 30 L N -3.612 117.638 121.223 0.045 0.000 2.775 30 L HA 0.514 4.856 4.340 0.003 0.000 0.263 30 L C -1.429 175.499 176.870 0.096 0.000 1.017 30 L CA -1.254 53.622 54.840 0.059 0.000 0.891 30 L CB 1.148 43.241 42.059 0.056 0.000 1.482 30 L HN -0.257 nan 8.230 nan 0.000 0.410 31 N N 1.637 120.387 118.700 0.083 0.000 2.527 31 N HA 0.565 5.307 4.740 0.003 0.000 0.236 31 N C -2.638 172.925 175.510 0.089 0.000 0.999 31 N CA -1.745 51.350 53.050 0.075 0.000 0.935 31 N CB 1.338 39.855 38.487 0.050 0.000 1.132 31 N HN 0.622 nan 8.380 nan 0.000 0.511 32 P HA 0.140 nan 4.420 nan 0.000 0.286 32 P C -1.030 176.142 177.300 -0.214 0.000 1.269 32 P CA -0.379 62.724 63.100 0.005 0.000 0.787 32 P CB 1.445 33.066 31.700 -0.131 0.000 0.920 33 V N 5.006 124.797 119.914 -0.205 0.000 2.407 33 V HA 0.324 4.446 4.120 0.003 0.000 0.291 33 V C -0.097 175.812 176.094 -0.307 0.000 1.018 33 V CA -0.442 61.729 62.300 -0.216 0.000 0.842 33 V CB 0.646 32.437 31.823 -0.054 0.000 0.996 33 V HN 0.360 nan 8.190 nan 0.000 0.426 34 F N 4.629 124.479 119.950 -0.166 0.000 2.394 34 F HA 0.682 5.210 4.527 0.002 0.000 0.340 34 F C 0.014 175.726 175.800 -0.145 0.000 1.105 34 F CA -0.254 57.654 58.000 -0.153 0.000 1.124 34 F CB 0.972 39.640 39.000 -0.553 0.000 1.145 34 F HN 0.286 nan 8.300 nan 0.000 0.505 35 F N 0.282 120.471 119.950 0.398 0.000 2.594 35 F HA 0.701 5.230 4.527 0.003 0.000 0.335 35 F C 0.304 176.302 175.800 0.329 0.000 1.058 35 F CA -0.781 57.381 58.000 0.271 0.000 0.981 35 F CB 2.147 41.211 39.000 0.106 0.000 1.289 35 F HN 0.308 nan 8.300 nan 0.000 0.490 36 T N -1.430 113.314 114.554 0.317 0.000 2.894 36 T HA 0.355 4.707 4.350 0.003 0.000 0.309 36 T C 0.266 174.998 174.700 0.053 0.000 1.208 36 T CA -0.111 62.075 62.100 0.142 0.000 1.016 36 T CB 1.310 70.258 68.868 0.133 0.000 1.192 36 T HN 0.754 nan 8.240 nan 0.000 0.491 37 T N -0.190 114.362 114.554 -0.003 0.000 3.044 37 T HA 0.275 4.627 4.350 0.003 0.000 0.250 37 T C 1.134 175.933 174.700 0.165 0.000 1.081 37 T CA 0.149 62.298 62.100 0.081 0.000 1.040 37 T CB 0.066 68.987 68.868 0.088 0.000 0.962 37 T HN 0.480 nan 8.240 nan 0.000 0.506 38 S N 0.908 116.660 115.700 0.087 0.000 2.585 38 S HA 0.167 4.639 4.470 0.003 0.000 0.273 38 S C 0.673 175.328 174.600 0.092 0.000 1.339 38 S CA -0.469 57.776 58.200 0.074 0.000 1.028 38 S CB 0.788 64.006 63.200 0.031 0.000 0.906 38 S HN 0.499 nan 8.310 nan 0.000 0.528 39 Q N 1.609 121.454 119.800 0.075 0.000 2.179 39 Q HA 0.317 4.659 4.340 0.003 0.000 0.213 39 Q C 0.523 176.552 176.000 0.047 0.000 0.833 39 Q CA -0.405 55.440 55.803 0.070 0.000 0.990 39 Q CB 0.751 29.529 28.738 0.066 0.000 1.132 39 Q HN 0.763 nan 8.270 nan 0.000 0.493 56 K N -0.234 120.051 120.400 -0.191 0.000 2.098 56 K HA 0.628 4.950 4.320 0.003 0.000 0.257 56 K C -0.115 176.527 176.600 0.070 0.000 0.999 56 K CA -0.609 55.596 56.287 -0.135 0.000 0.924 56 K CB 1.409 33.703 32.500 -0.343 0.000 1.028 56 K HN 0.535 nan 8.250 nan 0.000 0.466 57 S N 0.743 116.562 115.700 0.199 0.000 2.528 57 S HA 0.153 4.625 4.470 0.003 0.000 0.277 57 S C 1.068 175.885 174.600 0.361 0.000 1.297 57 S CA -0.338 58.018 58.200 0.260 0.000 1.052 57 S CB 0.905 64.256 63.200 0.252 0.000 0.917 57 S HN 0.650 nan 8.310 nan 0.000 0.492 58 A N 4.617 127.523 122.820 0.143 0.000 2.125 58 A HA 0.067 4.389 4.320 0.003 0.000 0.219 58 A C 1.057 178.531 177.584 -0.184 0.000 1.156 58 A CA 1.150 53.129 52.037 -0.098 0.000 0.671 58 A CB -0.588 18.141 19.000 -0.451 0.000 0.794 58 A HN 0.851 nan 8.150 nan 0.000 0.459 59 F N -0.418 119.681 119.950 0.249 0.000 2.727 59 F HA 0.181 4.710 4.527 0.004 0.000 0.302 59 F C 0.544 176.409 175.800 0.109 0.000 1.097 59 F CA -0.879 57.219 58.000 0.163 0.000 1.330 59 F CB 0.156 39.238 39.000 0.136 0.000 1.084 59 F HN 0.062 nan 8.300 nan 0.000 0.578 60 D N 1.456 122.007 120.400 0.253 0.000 2.435 60 D HA 0.120 4.761 4.640 0.003 0.000 0.230 60 D C 1.449 177.821 176.300 0.121 0.000 1.215 60 D CA 0.234 54.348 54.000 0.190 0.000 0.947 60 D CB 0.059 40.984 40.800 0.208 0.000 1.048 60 D HN 0.223 nan 8.370 nan 0.000 0.512 61 I N 2.249 122.864 120.570 0.075 0.000 2.194 61 I HA -0.269 3.903 4.170 0.003 0.000 0.246 61 I C 2.109 178.224 176.117 -0.003 0.000 1.093 61 I CA 0.856 62.157 61.300 0.002 0.000 1.355 61 I CB -0.007 37.988 38.000 -0.008 0.000 1.046 61 I HN 0.332 nan 8.210 nan 0.000 0.413 62 E N 0.690 120.912 120.200 0.038 0.000 2.118 62 E HA -0.212 4.140 4.350 0.003 0.000 0.195 62 E C 2.088 178.728 176.600 0.067 0.000 0.992 62 E CA 1.094 57.522 56.400 0.047 0.000 0.804 62 E CB -0.247 29.487 29.700 0.056 0.000 0.741 62 E HN 0.493 nan 8.360 nan 0.000 0.458 63 E N 0.529 120.794 120.200 0.107 0.000 2.072 63 E HA -0.073 4.279 4.350 0.003 0.000 0.191 63 E C 2.428 179.132 176.600 0.174 0.000 0.985 63 E CA 0.400 56.905 56.400 0.175 0.000 0.801 63 E CB -0.270 29.601 29.700 0.285 0.000 0.750 63 E HN 0.295 nan 8.360 nan 0.000 0.452 64 L N 0.726 121.976 121.223 0.044 0.000 2.131 64 L HA -0.125 4.217 4.340 0.003 0.000 0.210 64 L C 2.582 179.305 176.870 -0.246 0.000 1.092 64 L CA 1.045 55.778 54.840 -0.178 0.000 0.759 64 L CB -0.342 41.508 42.059 -0.349 0.000 0.903 64 L HN 0.047 nan 8.230 nan 0.000 0.435 65 K N 0.799 121.096 120.400 -0.172 0.000 2.280 65 K HA -0.161 4.161 4.320 0.003 0.000 0.202 65 K C 1.826 178.531 176.600 0.175 0.000 1.047 65 K CA 1.090 57.329 56.287 -0.080 0.000 0.942 65 K CB 0.141 32.664 32.500 0.039 0.000 0.739 65 K HN 0.260 nan 8.250 nan 0.000 0.457 66 K N 0.276 120.757 120.400 0.134 0.000 2.439 66 K HA 0.032 4.354 4.320 0.003 0.000 0.197 66 K C 0.281 177.001 176.600 0.201 0.000 1.041 66 K CA 0.257 56.643 56.287 0.164 0.000 0.970 66 K CB 0.059 32.634 32.500 0.126 0.000 0.773 66 K HN 0.123 nan 8.250 nan 0.000 0.479 67 L N 1.006 122.369 121.223 0.235 0.000 2.399 67 L HA 0.097 4.439 4.340 0.003 0.000 0.265 67 L C 0.854 177.970 176.870 0.410 0.000 1.089 67 L CA -0.561 54.432 54.840 0.256 0.000 0.802 67 L CB 0.808 42.974 42.059 0.179 0.000 1.180 67 L HN -0.023 nan 8.230 nan 0.000 0.454 68 D N 1.201 121.769 120.400 0.281 0.000 2.240 68 D HA 0.221 4.863 4.640 0.003 0.000 0.206 68 D C 0.330 176.841 176.300 0.351 0.000 0.963 68 D CA 1.254 55.413 54.000 0.264 0.000 0.863 68 D CB 0.782 41.678 40.800 0.160 0.000 0.973 68 D HN 0.272 nan 8.370 nan 0.000 0.501 69 I N 0.454 121.202 120.570 0.297 0.000 2.802 69 I HA 0.325 4.497 4.170 0.003 0.000 0.298 69 I C -0.991 175.173 176.117 0.078 0.000 1.176 69 I CA -0.713 60.747 61.300 0.267 0.000 1.025 69 I CB 3.183 41.228 38.000 0.075 0.000 1.243 69 I HN -0.340 nan 8.210 nan 0.000 0.424 70 I N 5.274 125.857 120.570 0.022 0.000 2.447 70 I HA 0.405 4.576 4.170 0.003 0.000 0.287 70 I C -0.911 174.892 176.117 -0.524 0.000 1.023 70 I CA -0.862 60.231 61.300 -0.345 0.000 1.083 70 I CB 2.153 39.859 38.000 -0.490 0.000 1.245 70 I HN 0.130 nan 8.210 nan 0.000 0.434 71 V N 4.823 124.382 119.914 -0.593 0.000 2.347 71 V HA 0.437 4.559 4.120 0.003 0.000 0.280 71 V C 0.044 175.914 176.094 -0.374 0.000 1.021 71 V CA -0.370 61.644 62.300 -0.478 0.000 0.847 71 V CB 1.593 33.114 31.823 -0.502 0.000 0.990 71 V HN 0.762 nan 8.190 nan 0.000 0.444 72 T N 3.723 118.070 114.554 -0.344 0.000 2.861 72 T HA 0.374 4.726 4.350 0.003 0.000 0.287 72 T C 0.028 174.695 174.700 -0.055 0.000 1.003 72 T CA -0.255 61.721 62.100 -0.205 0.000 0.977 72 T CB 1.105 69.827 68.868 -0.244 0.000 0.996 72 T HN 0.710 nan 8.240 nan 0.000 0.448 73 C N 3.839 123.133 119.300 -0.010 0.000 3.386 73 C HA 0.269 4.731 4.460 0.003 0.000 0.279 73 C C 1.936 176.923 174.990 -0.004 0.000 1.508 73 C CA -0.479 58.553 59.018 0.023 0.000 1.801 73 C CB -0.521 27.252 27.740 0.055 0.000 2.798 73 C HN 0.974 nan 8.230 nan 0.000 0.605 74 Q N 2.096 121.861 119.800 -0.059 0.000 2.079 74 Q HA 0.285 4.627 4.340 0.003 0.000 0.200 74 Q C 1.010 177.022 176.000 0.019 0.000 0.974 74 Q CA 2.096 57.831 55.803 -0.112 0.000 0.840 74 Q CB -0.028 28.463 28.738 -0.412 0.000 0.898 74 Q HN 0.684 nan 8.270 nan 0.000 0.430 75 G N -3.563 105.305 108.800 0.113 0.000 2.339 75 G HA2 0.214 4.176 3.960 0.003 0.000 0.381 75 G HA3 0.214 4.176 3.960 0.003 0.000 0.381 75 G C 0.383 175.403 174.900 0.201 0.000 1.400 75 G CA -0.256 44.927 45.100 0.139 0.000 1.002 75 G HN 0.286 nan 8.290 nan 0.000 0.633 76 G N -0.489 108.399 108.800 0.147 0.000 2.440 76 G HA2 -0.098 3.864 3.960 0.003 0.000 0.218 76 G HA3 -0.098 3.864 3.960 0.003 0.000 0.218 76 G C 1.234 176.215 174.900 0.136 0.000 1.154 76 G CA 1.992 47.170 45.100 0.131 0.000 0.767 76 G HN 0.701 nan 8.290 nan 0.000 0.552 77 D N -0.348 120.136 120.400 0.140 0.000 2.104 77 D HA -0.159 4.482 4.640 0.003 0.000 0.194 77 D C 1.971 178.379 176.300 0.181 0.000 0.994 77 D CA 1.160 55.241 54.000 0.135 0.000 0.830 77 D CB -0.322 40.558 40.800 0.132 0.000 0.959 77 D HN 0.403 nan 8.370 nan 0.000 0.452 78 Y N 1.926 122.311 120.300 0.141 0.000 2.145 78 Y HA -0.239 4.312 4.550 0.003 0.000 0.286 78 Y C 2.477 178.499 175.900 0.203 0.000 1.145 78 Y CA 1.943 60.156 58.100 0.188 0.000 1.148 78 Y CB -0.582 37.967 38.460 0.148 0.000 0.981 78 Y HN -0.133 nan 8.280 nan 0.000 0.507 79 T N 0.989 115.668 114.554 0.208 0.000 2.708 79 T HA -0.189 4.163 4.350 0.003 0.000 0.266 79 T C 1.597 176.277 174.700 -0.035 0.000 1.037 79 T CA 1.596 63.780 62.100 0.140 0.000 1.146 79 T CB -0.371 68.640 68.868 0.239 0.000 0.865 79 T HN 0.396 nan 8.240 nan 0.000 0.435 80 N N 0.808 119.511 118.700 0.005 0.000 2.364 80 N HA -0.079 4.663 4.740 0.003 0.000 0.183 80 N C 1.802 177.290 175.510 -0.035 0.000 1.022 80 N CA 0.795 53.839 53.050 -0.010 0.000 0.883 80 N CB -0.119 38.375 38.487 0.012 0.000 0.965 80 N HN 0.612 nan 8.380 nan 0.000 0.438 81 E N 0.275 120.440 120.200 -0.059 0.000 2.057 81 E HA -0.072 4.280 4.350 0.003 0.000 0.190 81 E C 1.917 178.444 176.600 -0.122 0.000 0.969 81 E CA 0.692 57.052 56.400 -0.067 0.000 0.812 81 E CB 0.291 29.984 29.700 -0.011 0.000 0.777 81 E HN 0.151 nan 8.360 nan 0.000 0.455 82 V N -0.762 119.006 119.914 -0.243 0.000 2.599 82 V HA -0.104 4.018 4.120 0.003 0.000 0.245 82 V C 2.240 178.176 176.094 -0.264 0.000 1.046 82 V CA 1.217 63.373 62.300 -0.241 0.000 1.065 82 V CB -1.020 30.586 31.823 -0.362 0.000 0.703 82 V HN 0.333 nan 8.190 nan 0.000 0.464 83 Y N 3.117 123.084 120.300 -0.555 0.000 2.030 83 Y HA -0.143 4.409 4.550 0.003 0.000 0.272 83 Y C 0.105 175.746 175.900 -0.432 0.000 1.185 83 Y CA 2.924 60.533 58.100 -0.820 0.000 1.120 83 Y CB -1.904 35.968 38.460 -0.979 0.000 0.955 83 Y HN 0.309 nan 8.280 nan 0.000 0.495 84 P HA -0.181 nan 4.420 nan 0.000 0.215 84 P C 1.294 178.442 177.300 -0.254 0.000 1.153 84 P CA 2.622 65.534 63.100 -0.315 0.000 0.853 84 P CB -0.077 31.531 31.700 -0.154 0.000 0.788 85 K N -1.043 119.242 120.400 -0.191 0.000 2.057 85 K HA -0.133 4.189 4.320 0.003 0.000 0.207 85 K C 1.992 178.506 176.600 -0.142 0.000 1.049 85 K CA 1.048 57.255 56.287 -0.134 0.000 0.931 85 K CB -0.894 31.550 32.500 -0.092 0.000 0.714 85 K HN 0.060 nan 8.250 nan 0.000 0.440 86 L N 1.899 123.001 121.223 -0.201 0.000 2.027 86 L HA -0.158 4.184 4.340 0.003 0.000 0.206 86 L C 1.819 178.640 176.870 -0.082 0.000 1.074 86 L CA 1.848 56.573 54.840 -0.193 0.000 0.745 86 L CB -0.292 41.573 42.059 -0.323 0.000 0.898 86 L HN -0.039 nan 8.230 nan 0.000 0.433 87 K N 0.083 120.374 120.400 -0.183 0.000 2.103 87 K HA -0.056 4.266 4.320 0.003 0.000 0.207 87 K C 2.088 178.644 176.600 -0.073 0.000 1.048 87 K CA 1.332 57.547 56.287 -0.120 0.000 0.930 87 K CB -0.874 31.388 32.500 -0.397 0.000 0.716 87 K HN 0.472 nan 8.250 nan 0.000 0.444 88 A N 1.467 124.225 122.820 -0.103 0.000 2.019 88 A HA -0.136 4.186 4.320 0.003 0.000 0.219 88 A C 2.138 179.708 177.584 -0.023 0.000 1.164 88 A CA 2.181 54.178 52.037 -0.067 0.000 0.644 88 A CB -0.934 18.021 19.000 -0.074 0.000 0.805 88 A HN 0.504 nan 8.150 nan 0.000 0.449 89 T N -4.126 110.431 114.554 0.004 0.000 3.160 89 T HA 0.354 4.706 4.350 0.003 0.000 0.257 89 T C 1.430 176.168 174.700 0.062 0.000 1.147 89 T CA 1.104 63.225 62.100 0.035 0.000 1.064 89 T CB -0.202 68.696 68.868 0.049 0.000 0.949 89 T HN 1.684 nan 8.240 nan 0.000 0.526 90 G N 0.471 109.305 108.800 0.057 0.000 2.175 90 G HA2 -0.267 3.695 3.960 0.003 0.000 0.244 90 G HA3 -0.267 3.695 3.960 0.003 0.000 0.244 90 G C -0.068 174.881 174.900 0.082 0.000 0.982 90 G CA -0.203 44.922 45.100 0.042 0.000 0.641 90 G HN 0.734 nan 8.290 nan 0.000 0.527 91 W N 2.939 124.210 121.300 -0.049 0.000 2.435 91 W HA 0.361 5.022 4.660 0.001 0.000 0.337 91 W C 0.823 177.313 176.519 -0.048 0.000 1.300 91 W CA 0.802 58.129 57.345 -0.031 0.000 1.298 91 W CB 0.420 29.871 29.460 -0.015 0.000 1.217 91 W HN 0.368 nan 8.180 nan 0.000 0.565 92 D N 3.678 123.713 120.400 -0.609 0.000 2.501 92 D HA 0.267 4.909 4.640 0.003 0.000 0.226 92 D C 0.822 176.503 176.300 -1.032 0.000 1.198 92 D CA -0.314 53.283 54.000 -0.672 0.000 0.830 92 D CB -0.061 40.524 40.800 -0.358 0.000 1.014 92 D HN 0.327 nan 8.370 nan 0.000 0.496 93 G N -0.496 107.120 108.800 -1.973 0.000 2.563 93 G HA2 0.380 4.341 3.960 0.003 0.000 0.283 93 G HA3 0.380 4.341 3.960 0.003 0.000 0.283 93 G C -0.914 173.326 174.900 -1.101 0.000 1.309 93 G CA -0.707 43.588 45.100 -1.341 0.000 1.022 93 G HN 0.142 nan 8.290 nan 0.000 0.501 94 Y N -1.047 119.166 120.300 -0.144 0.000 2.334 94 Y HA 0.385 4.936 4.550 0.002 0.000 0.328 94 Y C -0.113 176.120 175.900 0.555 0.000 1.130 94 Y CA -0.576 57.638 58.100 0.190 0.000 1.163 94 Y CB 1.565 40.127 38.460 0.171 0.000 1.207 94 Y HN 0.463 nan 8.280 nan 0.000 0.471 95 W N 5.239 126.860 121.300 0.536 0.000 2.362 95 W HA 0.610 5.272 4.660 0.003 0.000 0.316 95 W C -2.008 174.699 176.519 0.313 0.000 1.024 95 W CA -0.983 56.633 57.345 0.451 0.000 1.270 95 W CB 1.378 31.137 29.460 0.498 0.000 1.273 95 W HN 0.225 nan 8.180 nan 0.000 0.424 96 V N 6.472 126.383 119.914 -0.005 0.000 2.347 96 V HA 0.193 4.314 4.120 0.003 0.000 0.280 96 V C -0.293 175.724 176.094 -0.129 0.000 1.021 96 V CA -0.244 62.078 62.300 0.036 0.000 0.847 96 V CB 1.363 33.173 31.823 -0.022 0.000 0.990 96 V HN 0.379 nan 8.190 nan 0.000 0.444 97 D N 3.229 123.667 120.400 0.064 0.000 2.375 97 D HA 0.636 5.278 4.640 0.003 0.000 0.247 97 D C 0.504 176.858 176.300 0.090 0.000 1.061 97 D CA -0.292 53.755 54.000 0.079 0.000 0.834 97 D CB 2.569 43.537 40.800 0.279 0.000 1.247 97 D HN 0.490 nan 8.370 nan 0.000 0.489 98 A N 2.515 125.376 122.820 0.068 0.000 2.132 98 A HA 0.446 4.767 4.320 0.003 0.000 0.213 98 A C 1.070 178.705 177.584 0.086 0.000 1.154 98 A CA 0.592 52.670 52.037 0.070 0.000 0.753 98 A CB -0.031 19.001 19.000 0.053 0.000 0.826 98 A HN 0.562 nan 8.150 nan 0.000 0.469 99 A N 0.166 123.049 122.820 0.105 0.000 2.366 99 A HA 0.451 4.772 4.320 0.003 0.000 0.249 99 A C 1.383 179.028 177.584 0.103 0.000 1.084 99 A CA 0.369 52.471 52.037 0.109 0.000 0.794 99 A CB 0.199 19.280 19.000 0.136 0.000 1.034 99 A HN 0.854 nan 8.150 nan 0.000 0.491 100 S N 0.408 116.164 115.700 0.093 0.000 2.548 100 S HA 0.214 4.686 4.470 0.003 0.000 0.215 100 S C 1.718 176.363 174.600 0.075 0.000 0.976 100 S CA 0.669 58.922 58.200 0.089 0.000 0.908 100 S CB -0.378 62.880 63.200 0.097 0.000 0.781 100 S HN 1.279 nan 8.310 nan 0.000 0.519 101 A N 2.757 125.617 122.820 0.066 0.000 1.896 101 A HA -0.076 4.246 4.320 0.003 0.000 0.220 101 A C 2.006 179.595 177.584 0.008 0.000 1.206 101 A CA 1.830 53.890 52.037 0.038 0.000 0.647 101 A CB -0.895 18.127 19.000 0.037 0.000 0.828 101 A HN 0.601 nan 8.150 nan 0.000 0.455 102 L N -0.565 120.649 121.223 -0.016 0.000 2.607 102 L HA 0.167 4.509 4.340 0.003 0.000 0.228 102 L C 1.850 178.717 176.870 -0.006 0.000 1.123 102 L CA -0.294 54.513 54.840 -0.055 0.000 0.890 102 L CB -0.204 41.745 42.059 -0.182 0.000 1.103 102 L HN 0.335 nan 8.230 nan 0.000 0.468 103 L N -0.103 121.142 121.223 0.037 0.000 2.010 103 L HA -0.256 4.086 4.340 0.003 0.000 0.219 103 L C 1.862 178.763 176.870 0.051 0.000 1.077 103 L CA 1.515 56.388 54.840 0.055 0.000 0.773 103 L CB -0.274 41.839 42.059 0.090 0.000 0.892 103 L HN 0.422 nan 8.230 nan 0.000 0.436 104 M N -0.562 119.083 119.600 0.076 0.000 2.551 104 M HA 0.120 4.602 4.480 0.003 0.000 0.252 104 M C -0.147 176.181 176.300 0.047 0.000 1.219 104 M CA 0.134 55.483 55.300 0.082 0.000 0.978 104 M CB -0.425 32.277 32.600 0.171 0.000 1.533 104 M HN -0.085 nan 8.290 nan 0.000 0.474 105 K N 1.407 121.817 120.400 0.017 0.000 2.258 105 K HA 0.131 4.453 4.320 0.003 0.000 0.284 105 K C 0.357 176.953 176.600 -0.008 0.000 1.051 105 K CA -0.157 56.132 56.287 0.003 0.000 0.923 105 K CB 1.008 33.500 32.500 -0.013 0.000 1.046 105 K HN 0.038 nan 8.250 nan 0.000 0.474 106 D N 1.109 121.507 120.400 -0.003 0.000 2.354 106 D HA -0.165 4.476 4.640 0.003 0.000 0.216 106 D C 1.019 177.303 176.300 -0.028 0.000 0.970 106 D CA 1.066 55.058 54.000 -0.013 0.000 0.905 106 D CB 0.224 41.020 40.800 -0.006 0.000 0.903 106 D HN 0.522 nan 8.370 nan 0.000 0.508 107 D N -0.383 120.001 120.400 -0.026 0.000 2.323 107 D HA 0.086 4.728 4.640 0.003 0.000 0.209 107 D C 0.048 176.301 176.300 -0.078 0.000 0.973 107 D CA 0.193 54.172 54.000 -0.034 0.000 0.874 107 D CB 0.307 41.112 40.800 0.009 0.000 0.930 107 D HN 0.095 nan 8.370 nan 0.000 0.521 108 A N -0.318 122.447 122.820 -0.091 0.000 2.430 108 A HA 0.694 5.016 4.320 0.003 0.000 0.300 108 A C -0.757 176.739 177.584 -0.147 0.000 1.124 108 A CA -0.657 51.286 52.037 -0.157 0.000 0.766 108 A CB 1.304 20.236 19.000 -0.113 0.000 1.328 108 A HN 0.112 nan 8.150 nan 0.000 0.424 109 I N 1.097 121.532 120.570 -0.223 0.000 2.441 109 I HA 0.343 4.515 4.170 0.003 0.000 0.295 109 I C -0.707 175.432 176.117 0.037 0.000 0.994 109 I CA -0.498 60.750 61.300 -0.087 0.000 1.144 109 I CB 1.810 39.769 38.000 -0.070 0.000 1.314 109 I HN 0.486 nan 8.210 nan 0.000 0.445 110 I N 6.493 127.097 120.570 0.058 0.000 2.337 110 I HA 0.165 4.337 4.170 0.003 0.000 0.291 110 I C 0.094 176.281 176.117 0.115 0.000 1.046 110 I CA -0.636 60.713 61.300 0.081 0.000 1.324 110 I CB 1.047 39.069 38.000 0.036 0.000 1.409 110 I HN 0.281 nan 8.210 nan 0.000 0.494 111 V N 5.811 125.818 119.914 0.155 0.000 2.567 111 V HA 0.628 4.750 4.120 0.003 0.000 0.289 111 V C -0.386 175.763 176.094 0.091 0.000 1.049 111 V CA -0.564 61.820 62.300 0.141 0.000 0.969 111 V CB 1.726 33.643 31.823 0.156 0.000 0.995 111 V HN 0.655 nan 8.190 nan 0.000 0.471 112 L N 4.719 125.985 121.223 0.072 0.000 2.318 112 L HA 0.278 4.620 4.340 0.003 0.000 0.263 112 L C 1.000 177.893 176.870 0.039 0.000 1.461 112 L CA 0.537 55.408 54.840 0.051 0.000 0.749 112 L CB 0.429 42.494 42.059 0.011 0.000 0.917 112 L HN 0.942 nan 8.230 nan 0.000 0.531 113 D N 0.202 120.635 120.400 0.056 0.000 2.220 113 D HA -0.219 4.423 4.640 0.003 0.000 0.198 113 D C -1.219 175.116 176.300 0.058 0.000 1.001 113 D CA 1.517 55.549 54.000 0.055 0.000 0.875 113 D CB -0.657 40.174 40.800 0.050 0.000 0.921 113 D HN 0.407 nan 8.370 nan 0.000 0.454 114 P HA -0.041 nan 4.420 nan 0.000 0.223 114 P C 1.756 179.102 177.300 0.076 0.000 1.151 114 P CA 0.597 63.738 63.100 0.068 0.000 0.787 114 P CB 0.186 31.896 31.700 0.016 0.000 0.788 115 V N -0.189 119.775 119.914 0.084 0.000 2.672 115 V HA 0.035 4.157 4.120 0.003 0.000 0.242 115 V C 1.184 177.333 176.094 0.091 0.000 1.059 115 V CA 1.486 63.871 62.300 0.142 0.000 1.081 115 V CB -0.699 31.142 31.823 0.031 0.000 0.752 115 V HN 0.235 nan 8.190 nan 0.000 0.472 116 N N 0.037 118.774 118.700 0.061 0.000 2.541 116 N HA 0.084 4.826 4.740 0.003 0.000 0.297 116 N C 0.981 176.548 175.510 0.094 0.000 1.503 116 N CA -0.203 52.891 53.050 0.073 0.000 0.919 116 N CB 0.604 39.121 38.487 0.049 0.000 1.305 116 N HN 0.236 nan 8.380 nan 0.000 0.501 117 Q N 0.485 120.337 119.800 0.086 0.000 2.152 117 Q HA -0.231 4.110 4.340 0.003 0.000 0.206 117 Q C 1.688 177.737 176.000 0.082 0.000 0.985 117 Q CA 1.730 57.575 55.803 0.070 0.000 0.863 117 Q CB -0.595 28.175 28.738 0.054 0.000 0.904 117 Q HN 0.637 nan 8.270 nan 0.000 0.422 118 H N -0.347 118.740 119.070 0.029 0.000 2.319 118 H HA -0.113 4.445 4.556 0.004 0.000 0.299 118 H C 1.867 177.218 175.328 0.038 0.000 1.092 118 H CA 2.348 58.413 56.048 0.028 0.000 1.302 118 H CB -0.172 29.603 29.762 0.023 0.000 1.373 118 H HN 0.284 nan 8.280 nan 0.000 0.497 119 V N -0.745 119.307 119.914 0.230 0.000 2.515 119 V HA -0.146 3.975 4.120 0.003 0.000 0.250 119 V C 2.719 178.881 176.094 0.114 0.000 1.058 119 V CA 1.599 64.001 62.300 0.170 0.000 1.064 119 V CB -0.830 31.072 31.823 0.131 0.000 0.675 119 V HN 0.275 nan 8.190 nan 0.000 0.461 120 I N 1.045 121.685 120.570 0.118 0.000 2.163 120 I HA -0.173 3.999 4.170 0.003 0.000 0.240 120 I C 2.849 179.031 176.117 0.108 0.000 1.081 120 I CA 1.866 63.264 61.300 0.163 0.000 1.353 120 I CB -0.579 37.485 38.000 0.107 0.000 1.054 120 I HN 0.288 nan 8.210 nan 0.000 0.407 121 S N 0.350 116.057 115.700 0.011 0.000 2.383 121 S HA -0.174 4.298 4.470 0.003 0.000 0.229 121 S C 1.888 176.467 174.600 -0.036 0.000 1.030 121 S CA 1.235 59.414 58.200 -0.034 0.000 1.002 121 S CB -0.238 62.905 63.200 -0.095 0.000 0.829 121 S HN 0.403 nan 8.310 nan 0.000 0.467 122 E N 0.992 121.147 120.200 -0.075 0.000 2.046 122 E HA -0.033 4.319 4.350 0.003 0.000 0.190 122 E C 2.452 179.069 176.600 0.029 0.000 0.982 122 E CA 1.069 57.438 56.400 -0.051 0.000 0.800 122 E CB -1.014 28.646 29.700 -0.067 0.000 0.756 122 E HN 0.528 nan 8.360 nan 0.000 0.449 123 G N 1.595 110.439 108.800 0.073 0.000 2.469 123 G HA2 -0.250 3.712 3.960 0.003 0.000 0.220 123 G HA3 -0.250 3.712 3.960 0.003 0.000 0.220 123 G C 1.768 176.753 174.900 0.142 0.000 1.136 123 G CA 0.772 45.928 45.100 0.093 0.000 0.759 123 G HN 0.163 nan 8.290 nan 0.000 0.562 124 L N -0.224 121.122 121.223 0.206 0.000 2.046 124 L HA -0.055 4.287 4.340 0.003 0.000 0.208 124 L C 2.993 179.940 176.870 0.129 0.000 1.077 124 L CA 1.383 56.362 54.840 0.232 0.000 0.747 124 L CB -0.278 41.887 42.059 0.176 0.000 0.896 124 L HN 0.185 nan 8.230 nan 0.000 0.432 125 K N 0.051 120.493 120.400 0.069 0.000 2.097 125 K HA -0.218 4.104 4.320 0.003 0.000 0.206 125 K C 2.132 178.751 176.600 0.032 0.000 1.049 125 K CA 1.187 57.497 56.287 0.038 0.000 0.933 125 K CB -0.094 32.413 32.500 0.010 0.000 0.717 125 K HN 0.189 nan 8.250 nan 0.000 0.442 126 K N -0.142 120.278 120.400 0.033 0.000 2.217 126 K HA -0.110 4.211 4.320 0.003 0.000 0.202 126 K C 0.838 177.445 176.600 0.011 0.000 1.051 126 K CA 1.469 57.767 56.287 0.018 0.000 0.952 126 K CB 0.272 32.781 32.500 0.014 0.000 0.736 126 K HN 0.291 nan 8.250 nan 0.000 0.453 127 G N 0.637 109.455 108.800 0.029 0.000 2.164 127 G HA2 -0.083 3.879 3.960 0.003 0.000 0.154 127 G HA3 -0.083 3.879 3.960 0.003 0.000 0.154 127 G C -0.114 174.774 174.900 -0.020 0.000 1.014 127 G CA -0.235 44.866 45.100 0.002 0.000 0.683 127 G HN 0.120 nan 8.290 nan 0.000 0.500 128 I N 0.881 121.453 120.570 0.004 0.000 2.683 128 I HA 0.186 4.358 4.170 0.003 0.000 0.286 128 I C 1.023 177.115 176.117 -0.042 0.000 1.175 128 I CA 0.599 61.845 61.300 -0.090 0.000 1.429 128 I CB 1.075 38.954 38.000 -0.202 0.000 1.371 128 I HN -0.025 nan 8.210 nan 0.000 0.569 129 K N 3.548 123.871 120.400 -0.128 0.000 2.402 129 K HA 0.188 4.510 4.320 0.003 0.000 0.204 129 K C -0.066 176.610 176.600 0.126 0.000 1.056 129 K CA 0.212 56.440 56.287 -0.098 0.000 1.069 129 K CB 0.751 33.061 32.500 -0.317 0.000 0.888 129 K HN 0.530 nan 8.250 nan 0.000 0.546 130 T N 1.256 115.743 114.554 -0.113 0.000 2.812 130 T HA 0.564 4.916 4.350 0.003 0.000 0.282 130 T C -0.921 173.575 174.700 -0.339 0.000 0.990 130 T CA -0.381 61.732 62.100 0.022 0.000 0.960 130 T CB 0.684 69.577 68.868 0.041 0.000 0.948 130 T HN -0.166 nan 8.240 nan 0.000 0.438 131 F N 1.891 121.969 119.950 0.214 0.000 2.518 131 F HA 0.588 5.117 4.527 0.003 0.000 0.323 131 F C -0.233 175.639 175.800 0.120 0.000 1.129 131 F CA -1.069 57.015 58.000 0.139 0.000 0.920 131 F CB 1.628 40.697 39.000 0.115 0.000 1.160 131 F HN 0.192 nan 8.300 nan 0.000 0.440 132 V N 2.309 122.353 119.914 0.215 0.000 2.459 132 V HA 0.667 4.789 4.120 0.003 0.000 0.295 132 V C 0.514 176.694 176.094 0.143 0.000 1.029 132 V CA -1.048 61.347 62.300 0.157 0.000 0.874 132 V CB 1.519 33.404 31.823 0.102 0.000 0.985 132 V HN 0.909 nan 8.190 nan 0.000 0.438 133 G N 2.778 111.650 108.800 0.120 0.000 2.441 133 G HA2 0.440 4.402 3.960 0.003 0.000 0.243 133 G HA3 0.440 4.402 3.960 0.003 0.000 0.243 133 G C 0.523 175.478 174.900 0.090 0.000 1.281 133 G CA 0.186 45.346 45.100 0.101 0.000 0.854 133 G HN 1.097 nan 8.290 nan 0.000 0.560 134 G N 0.636 109.487 108.800 0.086 0.000 2.441 134 G HA2 0.431 4.393 3.960 0.003 0.000 0.243 134 G HA3 0.431 4.393 3.960 0.003 0.000 0.243 134 G C 0.060 175.010 174.900 0.084 0.000 1.281 134 G CA -0.183 44.958 45.100 0.069 0.000 0.854 134 G HN 1.076 nan 8.290 nan 0.000 0.560 135 N N -0.536 118.213 118.700 0.082 0.000 2.647 135 N HA 0.520 5.262 4.740 0.003 0.000 0.266 135 N C 0.396 175.979 175.510 0.121 0.000 1.373 135 N CA -0.181 52.930 53.050 0.101 0.000 0.807 135 N CB 0.980 39.526 38.487 0.099 0.000 1.513 135 N HN 0.615 nan 8.380 nan 0.000 0.505 136 C N -0.943 118.452 119.300 0.158 0.000 0.168 136 C HA -0.316 4.145 4.460 0.003 0.000 0.017 136 C C 2.641 177.780 174.990 0.248 0.000 0.171 136 C CA 1.766 60.935 59.018 0.252 0.000 0.499 136 C CB -2.063 25.821 27.740 0.240 0.000 3.212 136 C HN 1.075 nan 8.230 nan 0.000 1.118 137 T N -0.537 114.144 114.554 0.212 0.000 2.803 137 T HA -0.129 4.223 4.350 0.003 0.000 0.269 137 T C 1.215 175.989 174.700 0.123 0.000 1.052 137 T CA 2.338 64.530 62.100 0.154 0.000 1.136 137 T CB -0.498 68.412 68.868 0.070 0.000 0.864 137 T HN 0.634 nan 8.240 nan 0.000 0.467 138 V N 2.612 122.575 119.914 0.082 0.000 2.270 138 V HA -0.166 3.956 4.120 0.003 0.000 0.245 138 V C 3.219 179.312 176.094 -0.001 0.000 1.043 138 V CA 2.148 64.463 62.300 0.024 0.000 1.014 138 V CB -0.897 30.921 31.823 -0.009 0.000 0.645 138 V HN 0.798 nan 8.190 nan 0.000 0.447 139 S N 0.009 115.725 115.700 0.028 0.000 2.383 139 S HA -0.105 4.367 4.470 0.003 0.000 0.227 139 S C 1.981 176.585 174.600 0.007 0.000 1.026 139 S CA 1.318 59.523 58.200 0.008 0.000 0.981 139 S CB -0.641 62.595 63.200 0.061 0.000 0.818 139 S HN 0.488 nan 8.310 nan 0.000 0.472 140 L N 0.674 121.942 121.223 0.075 0.000 2.083 140 L HA -0.043 4.299 4.340 0.003 0.000 0.209 140 L C 2.892 179.809 176.870 0.079 0.000 1.083 140 L CA 1.778 56.669 54.840 0.085 0.000 0.752 140 L CB -0.578 41.569 42.059 0.146 0.000 0.899 140 L HN 0.420 nan 8.230 nan 0.000 0.433 141 M N 0.063 119.730 119.600 0.112 0.000 2.086 141 M HA -0.223 4.259 4.480 0.003 0.000 0.261 141 M C 2.259 178.556 176.300 -0.005 0.000 1.067 141 M CA 1.880 57.269 55.300 0.148 0.000 1.116 141 M CB -0.054 32.622 32.600 0.127 0.000 1.348 141 M HN 0.164 nan 8.290 nan 0.000 0.407 142 L N 0.024 121.187 121.223 -0.100 0.000 2.131 142 L HA -0.221 4.121 4.340 0.003 0.000 0.210 142 L C 2.599 179.359 176.870 -0.183 0.000 1.092 142 L CA 0.808 55.529 54.840 -0.199 0.000 0.759 142 L CB -0.634 41.273 42.059 -0.253 0.000 0.903 142 L HN 0.429 nan 8.230 nan 0.000 0.435 143 M N -0.700 118.804 119.600 -0.160 0.000 2.229 143 M HA -0.106 4.376 4.480 0.003 0.000 0.264 143 M C 2.440 178.686 176.300 -0.089 0.000 1.063 143 M CA 1.673 56.851 55.300 -0.203 0.000 1.114 143 M CB -1.162 31.200 32.600 -0.398 0.000 1.387 143 M HN 0.285 nan 8.290 nan 0.000 0.420 144 A N 0.636 123.439 122.820 -0.029 0.000 1.855 144 A HA 0.007 4.329 4.320 0.003 0.000 0.213 144 A C 1.778 179.372 177.584 0.017 0.000 1.195 144 A CA 1.078 53.139 52.037 0.040 0.000 0.610 144 A CB -0.394 18.685 19.000 0.133 0.000 0.837 144 A HN 0.576 nan 8.150 nan 0.000 0.444 145 I N -3.560 117.003 120.570 -0.012 0.000 3.927 145 I HA 0.400 4.572 4.170 0.003 0.000 0.332 145 I C 1.442 177.528 176.117 -0.051 0.000 1.485 145 I CA 0.400 61.681 61.300 -0.032 0.000 1.131 145 I CB -0.167 37.802 38.000 -0.051 0.000 1.092 145 I HN 0.101 nan 8.210 nan 0.000 0.410 146 G N 1.992 110.632 108.800 -0.266 0.000 2.475 146 G HA2 -0.236 3.725 3.960 0.003 0.000 0.220 146 G HA3 -0.236 3.725 3.960 0.003 0.000 0.220 146 G C 1.483 176.085 174.900 -0.497 0.000 1.125 146 G CA 1.027 45.810 45.100 -0.529 0.000 0.755 146 G HN 0.553 nan 8.290 nan 0.000 0.565 147 G N 0.908 109.473 108.800 -0.393 0.000 2.440 147 G HA2 -0.186 3.775 3.960 0.003 0.000 0.218 147 G HA3 -0.186 3.775 3.960 0.003 0.000 0.218 147 G C 1.768 176.660 174.900 -0.013 0.000 1.154 147 G CA 0.813 45.902 45.100 -0.017 0.000 0.767 147 G HN 0.454 nan 8.290 nan 0.000 0.552 148 L N -0.998 120.180 121.223 -0.075 0.000 2.093 148 L HA 0.038 4.380 4.340 0.003 0.000 0.208 148 L C 2.693 179.446 176.870 -0.194 0.000 1.085 148 L CA 0.712 55.451 54.840 -0.167 0.000 0.755 148 L CB -0.397 41.488 42.059 -0.290 0.000 0.904 148 L HN 0.150 nan 8.230 nan 0.000 0.435 149 F N 0.232 120.099 119.950 -0.139 0.000 2.128 149 F HA -0.182 4.347 4.527 0.003 0.000 0.295 149 F C 2.663 178.419 175.800 -0.073 0.000 1.100 149 F CA 1.447 59.379 58.000 -0.114 0.000 1.260 149 F CB -0.366 38.556 39.000 -0.130 0.000 1.009 149 F HN 0.084 nan 8.300 nan 0.000 0.476 150 E N 0.497 120.789 120.200 0.153 0.000 2.130 150 E HA -0.222 4.130 4.350 0.003 0.000 0.196 150 E C 1.527 178.160 176.600 0.056 0.000 0.998 150 E CA 1.184 57.654 56.400 0.117 0.000 0.806 150 E CB 0.077 29.895 29.700 0.196 0.000 0.738 150 E HN 0.052 nan 8.360 nan 0.000 0.459 151 K N 0.775 121.190 120.400 0.025 0.000 2.444 151 K HA -0.031 4.291 4.320 0.003 0.000 0.193 151 K C 0.024 176.601 176.600 -0.037 0.000 1.024 151 K CA 0.398 56.679 56.287 -0.010 0.000 1.077 151 K CB 0.073 32.559 32.500 -0.023 0.000 0.833 151 K HN 0.200 nan 8.250 nan 0.000 0.517 152 D N 0.811 121.189 120.400 -0.037 0.000 2.699 152 D HA -0.190 4.452 4.640 0.003 0.000 0.239 152 D C 0.103 176.336 176.300 -0.111 0.000 1.136 152 D CA 0.351 54.316 54.000 -0.058 0.000 0.668 152 D CB -0.967 39.811 40.800 -0.037 0.000 1.060 152 D HN 0.231 nan 8.370 nan 0.000 0.429 153 L N -0.580 120.541 121.223 -0.171 0.000 2.664 153 L HA 0.158 4.500 4.340 0.003 0.000 0.233 153 L C 0.814 177.508 176.870 -0.294 0.000 1.113 153 L CA -0.031 54.687 54.840 -0.205 0.000 0.896 153 L CB 0.679 42.625 42.059 -0.189 0.000 1.163 153 L HN -0.073 nan 8.230 nan 0.000 0.497 154 V N 0.735 120.416 119.914 -0.388 0.000 2.408 154 V HA 0.042 4.164 4.120 0.003 0.000 0.267 154 V C 1.130 177.042 176.094 -0.304 0.000 1.047 154 V CA 0.091 62.103 62.300 -0.479 0.000 0.937 154 V CB 1.470 32.761 31.823 -0.887 0.000 0.999 154 V HN 0.262 nan 8.190 nan 0.000 0.472 155 E N 5.456 125.468 120.200 -0.314 0.000 2.075 155 E HA 0.066 4.418 4.350 0.003 0.000 0.190 155 E C 0.148 176.752 176.600 0.006 0.000 0.969 155 E CA 0.642 56.933 56.400 -0.182 0.000 0.815 155 E CB 0.530 30.058 29.700 -0.288 0.000 0.776 155 E HN 0.796 nan 8.360 nan 0.000 0.457 156 W N -0.912 120.322 121.300 -0.109 0.000 2.989 156 W HA 0.550 5.212 4.660 0.003 0.000 0.344 156 W C -1.690 174.788 176.519 -0.069 0.000 1.233 156 W CA -0.801 56.513 57.345 -0.052 0.000 1.187 156 W CB 0.514 29.964 29.460 -0.015 0.000 1.443 156 W HN -0.291 nan 8.180 nan 0.000 0.573 157 I N 2.442 123.340 120.570 0.547 0.000 2.548 157 I HA 0.162 4.334 4.170 0.003 0.000 0.287 157 I C -0.375 176.010 176.117 0.447 0.000 1.103 157 I CA -0.499 61.037 61.300 0.393 0.000 1.049 157 I CB 2.301 40.356 38.000 0.092 0.000 1.232 157 I HN 0.395 nan 8.210 nan 0.000 0.429 158 S N 5.859 121.876 115.700 0.528 0.000 2.457 158 S HA 0.716 5.188 4.470 0.003 0.000 0.289 158 S C -0.692 174.113 174.600 0.340 0.000 1.163 158 S CA -0.356 58.051 58.200 0.345 0.000 1.078 158 S CB 0.821 64.241 63.200 0.368 0.000 0.987 158 S HN 0.338 nan 8.310 nan 0.000 0.482 159 V N 3.332 123.407 119.914 0.268 0.000 2.769 159 V HA 0.904 5.026 4.120 0.003 0.000 0.312 159 V C -0.073 176.118 176.094 0.162 0.000 1.061 159 V CA -0.802 61.682 62.300 0.307 0.000 0.931 159 V CB 1.740 33.771 31.823 0.345 0.000 1.010 159 V HN 1.059 nan 8.190 nan 0.000 0.433 160 A N 2.056 124.951 122.820 0.126 0.000 2.411 160 A HA 0.769 5.091 4.320 0.003 0.000 0.285 160 A C -0.128 177.463 177.584 0.012 0.000 1.129 160 A CA -0.296 51.763 52.037 0.037 0.000 0.736 160 A CB 1.347 20.387 19.000 0.067 0.000 1.186 160 A HN 0.975 nan 8.150 nan 0.000 0.445 161 T N -0.937 113.571 114.554 -0.077 0.000 2.943 161 T HA 0.701 5.053 4.350 0.003 0.000 0.284 161 T C -0.878 173.716 174.700 -0.178 0.000 1.015 161 T CA -0.346 61.735 62.100 -0.031 0.000 1.042 161 T CB 0.799 69.635 68.868 -0.054 0.000 1.055 161 T HN 0.435 nan 8.240 nan 0.000 0.500 162 Y N 0.580 120.856 120.300 -0.041 0.000 2.705 162 Y HA 0.383 4.935 4.550 0.003 0.000 0.355 162 Y C 0.348 176.262 175.900 0.022 0.000 1.039 162 Y CA -1.002 57.108 58.100 0.018 0.000 1.233 162 Y CB 0.739 39.246 38.460 0.079 0.000 1.103 162 Y HN 0.637 nan 8.280 nan 0.000 0.624 163 Q N 1.706 121.543 119.800 0.062 0.000 2.261 163 Q HA 0.731 5.073 4.340 0.003 0.000 0.252 163 Q C 0.023 176.174 176.000 0.252 0.000 0.915 163 Q CA -0.742 55.075 55.803 0.024 0.000 0.915 163 Q CB 1.848 30.379 28.738 -0.345 0.000 1.204 163 Q HN 0.719 nan 8.270 nan 0.000 0.421 164 A N 1.417 124.554 122.820 0.528 0.000 2.313 164 A HA 0.466 4.788 4.320 0.003 0.000 0.261 164 A C 0.917 178.691 177.584 0.317 0.000 1.090 164 A CA 0.326 52.555 52.037 0.319 0.000 0.807 164 A CB 0.350 19.466 19.000 0.193 0.000 1.055 164 A HN 0.932 nan 8.150 nan 0.000 0.492 165 A N 0.480 123.456 122.820 0.260 0.000 1.969 165 A HA -0.030 4.292 4.320 0.003 0.000 0.218 165 A C 2.328 180.053 177.584 0.236 0.000 1.169 165 A CA 2.123 54.368 52.037 0.348 0.000 0.635 165 A CB -1.129 18.103 19.000 0.387 0.000 0.810 165 A HN 1.665 nan 8.150 nan 0.000 0.445 166 S N -0.254 115.538 115.700 0.153 0.000 2.419 166 S HA -0.057 4.415 4.470 0.003 0.000 0.235 166 S C 1.934 176.592 174.600 0.097 0.000 1.019 166 S CA 1.341 59.593 58.200 0.085 0.000 0.982 166 S CB -1.117 62.099 63.200 0.026 0.000 0.789 166 S HN 0.684 nan 8.310 nan 0.000 0.490 167 G N 0.901 109.806 108.800 0.175 0.000 2.470 167 G HA2 0.170 4.132 3.960 0.003 0.000 0.220 167 G HA3 0.170 4.132 3.960 0.003 0.000 0.220 167 G C 1.466 176.459 174.900 0.156 0.000 1.121 167 G CA 0.656 45.885 45.100 0.215 0.000 0.766 167 G HN 0.791 nan 8.290 nan 0.000 0.553 168 A N -0.736 122.167 122.820 0.139 0.000 1.984 168 A HA 0.595 4.916 4.320 0.003 0.000 0.214 168 A C 1.276 178.857 177.584 -0.005 0.000 1.173 168 A CA 1.509 53.581 52.037 0.058 0.000 0.673 168 A CB -0.008 18.999 19.000 0.013 0.000 0.830 168 A HN 1.590 nan 8.150 nan 0.000 0.453 169 G N -3.552 105.251 108.800 0.004 0.000 2.353 169 G HA2 0.476 4.438 3.960 0.003 0.000 0.308 169 G HA3 0.476 4.438 3.960 0.003 0.000 0.308 169 G C 0.534 175.423 174.900 -0.019 0.000 1.418 169 G CA -0.068 45.022 45.100 -0.017 0.000 0.966 169 G HN 0.982 nan 8.290 nan 0.000 0.638 170 A N 0.117 122.925 122.820 -0.020 0.000 1.883 170 A HA -0.002 4.320 4.320 0.003 0.000 0.217 170 A C 2.149 179.719 177.584 -0.024 0.000 1.186 170 A CA 2.328 54.356 52.037 -0.015 0.000 0.624 170 A CB -0.455 18.533 19.000 -0.021 0.000 0.822 170 A HN 0.654 nan 8.150 nan 0.000 0.444 171 K N -0.255 120.116 120.400 -0.049 0.000 2.283 171 K HA -0.064 4.258 4.320 0.003 0.000 0.202 171 K C 1.563 178.114 176.600 -0.082 0.000 1.048 171 K CA 1.026 57.278 56.287 -0.060 0.000 0.948 171 K CB -0.204 32.253 32.500 -0.071 0.000 0.742 171 K HN 0.529 nan 8.250 nan 0.000 0.458 172 N N 0.693 119.314 118.700 -0.132 0.000 2.216 172 N HA -0.074 4.668 4.740 0.003 0.000 0.183 172 N C 1.805 177.374 175.510 0.098 0.000 1.017 172 N CA 1.068 53.982 53.050 -0.227 0.000 0.861 172 N CB -0.019 38.196 38.487 -0.453 0.000 0.986 172 N HN 0.192 nan 8.380 nan 0.000 0.428 173 M N 0.762 120.414 119.600 0.087 0.000 2.117 173 M HA -0.089 4.393 4.480 0.003 0.000 0.262 173 M C 2.135 178.490 176.300 0.091 0.000 1.065 173 M CA 1.398 56.770 55.300 0.120 0.000 1.114 173 M CB -0.169 32.475 32.600 0.073 0.000 1.361 173 M HN 0.039 nan 8.290 nan 0.000 0.408 174 R N -0.018 120.511 120.500 0.047 0.000 2.081 174 R HA -0.170 4.171 4.340 0.003 0.000 0.235 174 R C 2.147 178.467 176.300 0.033 0.000 1.131 174 R CA 1.615 57.732 56.100 0.027 0.000 0.960 174 R CB -0.442 29.859 30.300 0.001 0.000 0.856 174 R HN 0.486 nan 8.270 nan 0.000 0.436 175 E N 0.991 121.222 120.200 0.051 0.000 2.077 175 E HA -0.213 4.139 4.350 0.003 0.000 0.193 175 E C 1.965 178.616 176.600 0.085 0.000 0.989 175 E CA 0.951 57.384 56.400 0.056 0.000 0.800 175 E CB -0.020 29.735 29.700 0.091 0.000 0.746 175 E HN 0.133 nan 8.360 nan 0.000 0.452 176 L N 0.998 122.333 121.223 0.187 0.000 1.989 176 L HA -0.197 4.144 4.340 0.003 0.000 0.211 176 L C 2.146 179.051 176.870 0.059 0.000 1.071 176 L CA 1.737 56.651 54.840 0.123 0.000 0.749 176 L CB -0.585 41.560 42.059 0.144 0.000 0.890 176 L HN 0.253 nan 8.230 nan 0.000 0.431 177 L N -0.992 120.264 121.223 0.056 0.000 2.042 177 L HA -0.213 4.129 4.340 0.003 0.000 0.210 177 L C 2.494 179.374 176.870 0.017 0.000 1.076 177 L CA 1.483 56.345 54.840 0.036 0.000 0.749 177 L CB -0.651 41.427 42.059 0.033 0.000 0.893 177 L HN 0.290 nan 8.230 nan 0.000 0.432 178 S N -0.877 114.819 115.700 -0.007 0.000 2.383 178 S HA -0.198 4.274 4.470 0.003 0.000 0.227 178 S C 1.909 176.468 174.600 -0.069 0.000 1.026 178 S CA 1.037 59.214 58.200 -0.039 0.000 0.981 178 S CB -0.123 63.037 63.200 -0.067 0.000 0.818 178 S HN 0.439 nan 8.310 nan 0.000 0.472 179 Q N 0.522 120.257 119.800 -0.109 0.000 2.084 179 Q HA -0.030 4.312 4.340 0.003 0.000 0.202 179 Q C 2.212 178.287 176.000 0.125 0.000 0.978 179 Q CA 1.289 57.016 55.803 -0.128 0.000 0.844 179 Q CB -0.273 28.404 28.738 -0.101 0.000 0.898 179 Q HN 0.551 nan 8.270 nan 0.000 0.426 180 M N -0.470 119.182 119.600 0.087 0.000 2.159 180 M HA -0.097 4.385 4.480 0.003 0.000 0.263 180 M C 2.216 178.567 176.300 0.086 0.000 1.063 180 M CA 1.482 56.838 55.300 0.095 0.000 1.110 180 M CB -0.475 32.163 32.600 0.064 0.000 1.374 180 M HN 0.322 nan 8.290 nan 0.000 0.411 181 G N 0.603 109.441 108.800 0.063 0.000 2.418 181 G HA2 -0.161 3.801 3.960 0.003 0.000 0.217 181 G HA3 -0.161 3.801 3.960 0.003 0.000 0.217 181 G C 1.389 176.335 174.900 0.077 0.000 1.158 181 G CA 0.436 45.569 45.100 0.055 0.000 0.771 181 G HN 0.192 nan 8.290 nan 0.000 0.545 182 L N 0.533 121.821 121.223 0.108 0.000 2.083 182 L HA 0.095 4.437 4.340 0.003 0.000 0.209 182 L C 2.938 179.915 176.870 0.178 0.000 1.083 182 L CA 0.979 55.916 54.840 0.162 0.000 0.752 182 L CB -1.049 41.160 42.059 0.251 0.000 0.899 182 L HN 0.215 nan 8.230 nan 0.000 0.433 183 L N -0.995 120.347 121.223 0.198 0.000 2.017 183 L HA -0.184 4.158 4.340 0.003 0.000 0.208 183 L C 2.601 179.511 176.870 0.066 0.000 1.073 183 L CA 1.238 56.147 54.840 0.116 0.000 0.745 183 L CB -0.547 41.578 42.059 0.110 0.000 0.894 183 L HN 0.317 nan 8.230 nan 0.000 0.432 184 E N 0.136 120.376 120.200 0.065 0.000 2.047 184 E HA -0.218 4.134 4.350 0.003 0.000 0.191 184 E C 2.128 178.752 176.600 0.040 0.000 0.987 184 E CA 1.125 57.551 56.400 0.044 0.000 0.799 184 E CB 0.013 29.737 29.700 0.040 0.000 0.752 184 E HN 0.372 nan 8.360 nan 0.000 0.449 185 Q N -0.005 119.823 119.800 0.048 0.000 2.297 185 Q HA -0.085 4.257 4.340 0.003 0.000 0.208 185 Q C 1.885 177.907 176.000 0.038 0.000 0.981 185 Q CA 1.170 56.998 55.803 0.041 0.000 0.876 185 Q CB -0.404 28.361 28.738 0.046 0.000 0.921 185 Q HN 0.347 nan 8.270 nan 0.000 0.446 186 A N 0.191 123.037 122.820 0.042 0.000 2.067 186 A HA -0.045 4.277 4.320 0.003 0.000 0.219 186 A C 1.687 179.282 177.584 0.017 0.000 1.158 186 A CA 1.429 53.484 52.037 0.030 0.000 0.661 186 A CB 0.108 19.123 19.000 0.024 0.000 0.801 186 A HN 0.230 nan 8.150 nan 0.000 0.452 187 V N -4.392 115.533 119.914 0.017 0.000 3.111 187 V HA 0.302 4.424 4.120 0.003 0.000 0.343 187 V C 1.289 177.391 176.094 0.013 0.000 1.417 187 V CA 0.537 62.844 62.300 0.011 0.000 1.142 187 V CB -0.597 31.230 31.823 0.007 0.000 1.114 187 V HN 0.228 nan 8.190 nan 0.000 0.520 188 S N 1.362 117.072 115.700 0.017 0.000 2.380 188 S HA -0.265 4.207 4.470 0.003 0.000 0.229 188 S C 2.160 176.767 174.600 0.012 0.000 1.043 188 S CA 2.695 60.904 58.200 0.016 0.000 1.038 188 S CB -0.156 63.054 63.200 0.018 0.000 0.872 188 S HN 0.863 nan 8.310 nan 0.000 0.456 189 S N 0.119 115.825 115.700 0.011 0.000 2.371 189 S HA -0.075 4.397 4.470 0.003 0.000 0.224 189 S C 1.715 176.319 174.600 0.007 0.000 1.029 189 S CA 1.540 59.745 58.200 0.009 0.000 0.978 189 S CB -0.503 62.702 63.200 0.008 0.000 0.833 189 S HN 0.572 nan 8.310 nan 0.000 0.466 190 E N 1.342 121.546 120.200 0.007 0.000 2.085 190 E HA -0.057 4.295 4.350 0.003 0.000 0.194 190 E C 1.971 178.575 176.600 0.006 0.000 0.994 190 E CA 1.155 57.559 56.400 0.005 0.000 0.801 190 E CB -0.358 29.345 29.700 0.004 0.000 0.743 190 E HN 0.481 nan 8.360 nan 0.000 0.453 191 L N 0.480 121.707 121.223 0.007 0.000 2.191 191 L HA -0.163 4.179 4.340 0.003 0.000 0.212 191 L C 2.046 178.920 176.870 0.007 0.000 1.103 191 L CA 0.795 55.640 54.840 0.008 0.000 0.769 191 L CB -0.261 41.804 42.059 0.010 0.000 0.908 191 L HN 0.063 nan 8.230 nan 0.000 0.438 192 K N 0.314 120.718 120.400 0.007 0.000 2.097 192 K HA -0.082 4.239 4.320 0.003 0.000 0.205 192 K C 0.442 177.046 176.600 0.006 0.000 1.050 192 K CA 0.703 56.994 56.287 0.007 0.000 0.938 192 K CB -0.518 31.986 32.500 0.007 0.000 0.718 192 K HN 0.443 nan 8.250 nan 0.000 0.442 193 D N 1.575 121.978 120.400 0.005 0.000 2.280 193 D HA 0.063 4.705 4.640 0.003 0.000 0.243 193 D C -1.875 174.427 176.300 0.004 0.000 1.129 193 D CA -1.839 52.163 54.000 0.004 0.000 0.848 193 D CB 1.558 42.360 40.800 0.004 0.000 1.107 193 D HN -0.078 nan 8.370 nan 0.000 0.471 194 P HA -0.070 nan 4.420 nan 0.000 0.236 194 P C 0.658 177.960 177.300 0.002 0.000 1.172 194 P CA 0.485 63.587 63.100 0.003 0.000 0.759 194 P CB 0.281 31.982 31.700 0.003 0.000 0.843 195 A N -0.349 122.472 122.820 0.002 0.000 2.431 195 A HA 0.248 4.570 4.320 0.003 0.000 0.239 195 A C 1.096 178.681 177.584 0.001 0.000 1.230 195 A CA -0.015 52.023 52.037 0.002 0.000 0.928 195 A CB -0.394 18.607 19.000 0.002 0.000 1.006 195 A HN 0.300 nan 8.150 nan 0.000 0.520 196 S N -0.000 115.701 115.700 0.002 0.000 2.576 196 S HA 0.301 4.773 4.470 0.003 0.000 0.272 196 S C 0.488 175.088 174.600 0.000 0.000 1.352 196 S CA 0.289 58.490 58.200 0.001 0.000 1.021 196 S CB 0.774 63.975 63.200 0.002 0.000 0.887 196 S HN 0.519 nan 8.310 nan 0.000 0.542 197 S N 0.810 116.510 115.700 -0.000 0.000 2.481 197 S HA 0.155 4.627 4.470 0.003 0.000 0.276 197 S C 0.900 175.499 174.600 -0.002 0.000 1.247 197 S CA -0.807 57.393 58.200 -0.001 0.000 1.053 197 S CB -0.267 62.932 63.200 -0.002 0.000 0.925 197 S HN 0.699 nan 8.310 nan 0.000 0.491 198 I N 6.219 126.788 120.570 -0.002 0.000 2.394 198 I HA -0.065 4.107 4.170 0.003 0.000 0.251 198 I C 1.692 177.806 176.117 -0.004 0.000 1.136 198 I CA 1.443 62.742 61.300 -0.002 0.000 1.425 198 I CB -0.238 37.761 38.000 -0.002 0.000 1.079 198 I HN 0.812 nan 8.210 nan 0.000 0.425 199 L N -0.111 121.109 121.223 -0.005 0.000 2.093 199 L HA -0.165 4.176 4.340 0.003 0.000 0.208 199 L C 2.178 179.043 176.870 -0.008 0.000 1.085 199 L CA 1.604 56.441 54.840 -0.006 0.000 0.755 199 L CB -0.801 41.254 42.059 -0.006 0.000 0.904 199 L HN 0.282 nan 8.230 nan 0.000 0.435 200 D N 0.631 121.027 120.400 -0.006 0.000 2.117 200 D HA -0.172 4.470 4.640 0.003 0.000 0.198 200 D C 2.173 178.468 176.300 -0.008 0.000 0.982 200 D CA 1.227 55.223 54.000 -0.007 0.000 0.828 200 D CB 0.064 40.862 40.800 -0.004 0.000 0.967 200 D HN 0.227 nan 8.370 nan 0.000 0.464 201 I N 0.480 121.046 120.570 -0.006 0.000 2.179 201 I HA -0.196 3.976 4.170 0.003 0.000 0.242 201 I C 2.520 178.631 176.117 -0.011 0.000 1.088 201 I CA 1.166 62.463 61.300 -0.006 0.000 1.357 201 I CB -0.361 37.638 38.000 -0.002 0.000 1.051 201 I HN 0.155 nan 8.210 nan 0.000 0.409 202 E N 1.598 121.790 120.200 -0.012 0.000 2.077 202 E HA -0.243 4.109 4.350 0.003 0.000 0.193 202 E C 2.301 178.886 176.600 -0.025 0.000 0.989 202 E CA 1.437 57.827 56.400 -0.018 0.000 0.800 202 E CB -0.071 29.620 29.700 -0.015 0.000 0.746 202 E HN 0.409 nan 8.360 nan 0.000 0.452 203 R N 0.281 120.768 120.500 -0.022 0.000 2.091 203 R HA -0.118 4.223 4.340 0.003 0.000 0.238 203 R C 2.639 178.920 176.300 -0.032 0.000 1.136 203 R CA 1.633 57.717 56.100 -0.026 0.000 0.959 203 R CB -0.151 30.138 30.300 -0.019 0.000 0.856 203 R HN 0.144 nan 8.270 nan 0.000 0.437 204 K N 0.092 120.477 120.400 -0.026 0.000 2.062 204 K HA -0.057 4.265 4.320 0.003 0.000 0.205 204 K C 2.120 178.695 176.600 -0.042 0.000 1.051 204 K CA 1.118 57.388 56.287 -0.027 0.000 0.941 204 K CB -0.041 32.451 32.500 -0.015 0.000 0.719 204 K HN -0.002 nan 8.250 nan 0.000 0.440 205 V N 1.359 121.247 119.914 -0.042 0.000 2.343 205 V HA -0.231 3.891 4.120 0.003 0.000 0.247 205 V C 2.134 178.162 176.094 -0.110 0.000 1.051 205 V CA 2.050 64.314 62.300 -0.059 0.000 1.036 205 V CB -0.602 31.198 31.823 -0.038 0.000 0.654 205 V HN 0.388 nan 8.190 nan 0.000 0.451 206 T N 0.350 114.849 114.554 -0.091 0.000 2.821 206 T HA -0.122 4.229 4.350 0.003 0.000 0.267 206 T C 2.060 176.680 174.700 -0.133 0.000 1.046 206 T CA 1.483 63.516 62.100 -0.112 0.000 1.139 206 T CB -0.394 68.430 68.868 -0.073 0.000 0.871 206 T HN 0.563 nan 8.240 nan 0.000 0.454 207 A N 1.653 124.414 122.820 -0.099 0.000 1.902 207 A HA -0.116 4.206 4.320 0.003 0.000 0.217 207 A C 2.195 179.704 177.584 -0.125 0.000 1.181 207 A CA 1.983 53.968 52.037 -0.088 0.000 0.623 207 A CB -0.481 18.487 19.000 -0.053 0.000 0.818 207 A HN 0.365 nan 8.150 nan 0.000 0.443 208 K N 0.506 120.817 120.400 -0.150 0.000 2.026 208 K HA -0.123 4.199 4.320 0.003 0.000 0.208 208 K C 2.061 178.356 176.600 -0.508 0.000 1.048 208 K CA 2.099 58.274 56.287 -0.187 0.000 0.929 208 K CB -0.561 31.874 32.500 -0.108 0.000 0.713 208 K HN 0.632 nan 8.250 nan 0.000 0.439 209 M N -1.188 117.959 119.600 -0.755 0.000 2.460 209 M HA -0.008 4.474 4.480 0.003 0.000 0.263 209 M C 1.267 177.173 176.300 -0.656 0.000 1.071 209 M CA 1.422 55.890 55.300 -1.387 0.000 1.096 209 M CB 0.033 32.107 32.600 -0.876 0.000 1.408 209 M HN -0.060 nan 8.290 nan 0.000 0.463 210 R N 1.015 121.321 120.500 -0.324 0.000 2.312 210 R HA 0.414 4.756 4.340 0.003 0.000 0.205 210 R C 0.515 176.780 176.300 -0.057 0.000 0.904 210 R CA 0.105 56.124 56.100 -0.136 0.000 1.052 210 R CB 0.252 30.495 30.300 -0.096 0.000 1.014 210 R HN 0.454 nan 8.270 nan 0.000 0.503 211 A N 1.225 124.012 122.820 -0.054 0.000 2.445 211 A HA 0.024 4.346 4.320 0.003 0.000 0.242 211 A C 0.376 178.014 177.584 0.090 0.000 1.075 211 A CA -0.330 51.723 52.037 0.026 0.000 0.777 211 A CB 0.357 19.381 19.000 0.041 0.000 1.013 211 A HN 0.110 nan 8.150 nan 0.000 0.493 212 D N 1.055 121.496 120.400 0.069 0.000 2.218 212 D HA -0.154 4.488 4.640 0.003 0.000 0.204 212 D C 1.053 177.409 176.300 0.094 0.000 0.976 212 D CA 1.609 55.653 54.000 0.073 0.000 0.853 212 D CB -0.040 40.787 40.800 0.045 0.000 0.939 212 D HN 0.765 nan 8.370 nan 0.000 0.481 213 N N 0.206 118.969 118.700 0.105 0.000 2.314 213 N HA -0.106 4.636 4.740 0.003 0.000 0.200 213 N C -0.122 175.478 175.510 0.151 0.000 1.135 213 N CA -0.341 52.769 53.050 0.100 0.000 0.835 213 N CB -0.670 37.862 38.487 0.076 0.000 0.989 213 N HN 0.084 nan 8.380 nan 0.000 0.478 214 F N 3.480 123.441 119.950 0.019 0.000 2.445 214 F HA 0.305 4.834 4.527 0.003 0.000 0.359 214 F C -1.750 174.070 175.800 0.033 0.000 1.101 214 F CA -2.365 55.650 58.000 0.024 0.000 1.177 214 F CB 0.899 39.912 39.000 0.022 0.000 1.110 214 F HN -0.050 nan 8.300 nan 0.000 0.522 215 P HA 0.012 nan 4.420 nan 0.000 0.267 215 P C -0.154 177.037 177.300 -0.182 0.000 1.328 215 P CA 0.091 63.059 63.100 -0.219 0.000 0.990 215 P CB 0.285 31.848 31.700 -0.229 0.000 1.168 216 T N -1.785 112.760 114.554 -0.015 0.000 3.231 216 T HA 0.117 4.469 4.350 0.003 0.000 0.292 216 T C 0.750 175.500 174.700 0.083 0.000 1.001 216 T CA -0.284 61.865 62.100 0.083 0.000 0.920 216 T CB -0.269 68.693 68.868 0.158 0.000 1.140 216 T HN 0.051 nan 8.240 nan 0.000 0.525 217 D N 2.308 122.726 120.400 0.030 0.000 2.117 217 D HA -0.110 4.532 4.640 0.003 0.000 0.197 217 D C 1.736 178.026 176.300 -0.017 0.000 0.987 217 D CA 0.957 54.962 54.000 0.008 0.000 0.829 217 D CB 0.046 40.839 40.800 -0.013 0.000 0.961 217 D HN 0.453 nan 8.370 nan 0.000 0.460 218 N N -0.127 118.538 118.700 -0.059 0.000 2.270 218 N HA -0.072 4.670 4.740 0.003 0.000 0.181 218 N C 1.636 176.978 175.510 -0.280 0.000 1.016 218 N CA 0.700 53.628 53.050 -0.203 0.000 0.870 218 N CB -0.118 38.176 38.487 -0.321 0.000 0.979 218 N HN 0.232 nan 8.380 nan 0.000 0.431 219 F N -0.336 119.626 119.950 0.021 0.000 2.582 219 F HA 0.255 4.784 4.527 0.003 0.000 0.290 219 F C 1.806 177.626 175.800 0.033 0.000 1.115 219 F CA 0.377 58.399 58.000 0.037 0.000 1.445 219 F CB 0.289 39.317 39.000 0.047 0.000 1.126 219 F HN 0.048 nan 8.300 nan 0.000 0.574 220 G N 0.776 109.691 108.800 0.192 0.000 2.141 220 G HA2 0.054 4.016 3.960 0.003 0.000 0.242 220 G HA3 0.054 4.016 3.960 0.003 0.000 0.242 220 G C -0.007 174.963 174.900 0.117 0.000 0.982 220 G CA -0.023 45.144 45.100 0.113 0.000 0.662 220 G HN 0.889 nan 8.290 nan 0.000 0.527 221 A N -1.705 121.216 122.820 0.168 0.000 2.522 221 A HA 0.970 5.292 4.320 0.003 0.000 0.291 221 A C 0.026 177.705 177.584 0.160 0.000 1.039 221 A CA 0.264 52.382 52.037 0.134 0.000 0.643 221 A CB -0.063 18.990 19.000 0.090 0.000 1.310 221 A HN 2.130 nan 8.150 nan 0.000 0.436 222 A N -0.379 122.536 122.820 0.159 0.000 2.425 222 A HA 0.548 4.869 4.320 0.003 0.000 0.249 222 A C 0.596 178.203 177.584 0.039 0.000 1.084 222 A CA 0.628 52.793 52.037 0.213 0.000 0.781 222 A CB 0.331 19.473 19.000 0.237 0.000 1.019 222 A HN 1.977 nan 8.150 nan 0.000 0.490 223 L N 2.638 123.840 121.223 -0.035 0.000 2.588 223 L HA 0.348 4.690 4.340 0.003 0.000 0.194 223 L C 2.188 179.014 176.870 -0.073 0.000 1.070 223 L CA 2.031 56.739 54.840 -0.220 0.000 0.852 223 L CB -1.021 40.633 42.059 -0.676 0.000 1.199 223 L HN 0.870 nan 8.230 nan 0.000 0.486 224 G N 0.345 109.153 108.800 0.013 0.000 2.870 224 G HA2 -0.398 3.564 3.960 0.003 0.000 0.237 224 G HA3 -0.398 3.564 3.960 0.003 0.000 0.237 224 G C 1.055 175.989 174.900 0.055 0.000 1.209 224 G CA 0.913 46.056 45.100 0.072 0.000 0.769 224 G HN 0.658 nan 8.290 nan 0.000 0.704 225 G N -0.731 108.109 108.800 0.068 0.000 4.125 225 G HA2 0.511 4.473 3.960 0.003 0.000 0.301 225 G HA3 0.511 4.473 3.960 0.003 0.000 0.301 225 G C -0.007 174.901 174.900 0.014 0.000 1.273 225 G CA 1.027 46.148 45.100 0.034 0.000 1.095 225 G HN 0.716 nan 8.290 nan 0.000 0.582 226 S N -0.928 114.777 115.700 0.008 0.000 3.629 226 S HA 0.834 5.306 4.470 0.003 0.000 0.319 226 S C -1.870 172.721 174.600 -0.016 0.000 1.149 226 S CA -0.234 57.965 58.200 -0.003 0.000 1.099 226 S CB 0.852 64.051 63.200 -0.002 0.000 1.433 226 S HN 0.891 nan 8.310 nan 0.000 0.736 227 L N -0.363 120.846 121.223 -0.024 0.000 2.794 227 L HA 0.703 5.045 4.340 0.003 0.000 0.261 227 L C -1.806 175.052 176.870 -0.020 0.000 0.989 227 L CA -0.614 54.206 54.840 -0.034 0.000 0.900 227 L CB 0.933 42.979 42.059 -0.021 0.000 1.473 227 L HN 0.577 nan 8.230 nan 0.000 0.414 228 I N 1.919 122.481 120.570 -0.013 0.000 2.448 228 I HA 0.420 4.591 4.170 0.003 0.000 0.281 228 I C -2.075 174.088 176.117 0.078 0.000 1.027 228 I CA -1.203 60.124 61.300 0.045 0.000 1.111 228 I CB 2.539 40.581 38.000 0.069 0.000 1.236 228 I HN 0.553 nan 8.210 nan 0.000 0.452 229 P HA 0.018 nan 4.420 nan 0.000 0.246 229 P C -0.872 176.555 177.300 0.211 0.000 1.686 229 P CA 0.280 63.438 63.100 0.097 0.000 0.867 229 P CB -0.195 31.548 31.700 0.073 0.000 1.733 230 W N 1.740 123.045 121.300 0.008 0.000 3.775 230 W HA 0.168 4.830 4.660 0.003 0.000 0.315 230 W C -0.866 175.678 176.519 0.043 0.000 1.169 230 W CA -0.526 56.833 57.345 0.024 0.000 1.266 230 W CB 1.121 30.597 29.460 0.027 0.000 1.269 230 W HN -0.251 nan 8.180 nan 0.000 0.471 231 I N 1.784 122.404 120.570 0.083 0.000 3.325 231 I HA 0.028 4.200 4.170 0.003 0.000 0.237 231 I C 1.211 177.463 176.117 0.224 0.000 1.068 231 I CA 0.811 62.204 61.300 0.154 0.000 1.511 231 I CB -0.853 37.174 38.000 0.045 0.000 1.409 231 I HN 0.285 nan 8.210 nan 0.000 0.464 232 D N 0.967 121.434 120.400 0.112 0.000 2.481 232 D HA 0.199 4.841 4.640 0.003 0.000 0.283 232 D C -0.102 176.372 176.300 0.291 0.000 1.192 232 D CA -0.308 53.786 54.000 0.157 0.000 1.100 232 D CB 1.355 42.202 40.800 0.078 0.000 1.166 232 D HN -0.073 nan 8.370 nan 0.000 0.584 233 K N 0.175 120.701 120.400 0.210 0.000 2.098 233 K HA 0.270 4.592 4.320 0.003 0.000 0.257 233 K C -0.134 176.601 176.600 0.225 0.000 0.999 233 K CA -0.769 55.685 56.287 0.278 0.000 0.924 233 K CB 1.064 33.648 32.500 0.139 0.000 1.028 233 K HN 0.183 nan 8.250 nan 0.000 0.466 234 L N 2.326 123.760 121.223 0.352 0.000 2.485 234 L HA 0.013 4.354 4.340 0.003 0.000 0.275 234 L C -0.538 176.368 176.870 0.061 0.000 1.207 234 L CA 0.387 55.377 54.840 0.250 0.000 0.855 234 L CB 0.261 42.542 42.059 0.370 0.000 1.114 234 L HN 0.422 nan 8.230 nan 0.000 0.485 235 L N 8.612 129.832 121.223 -0.005 0.000 2.426 235 L HA 0.364 4.706 4.340 0.003 0.000 0.255 235 L C -1.783 175.079 176.870 -0.013 0.000 1.080 235 L CA -1.910 52.894 54.840 -0.060 0.000 0.960 235 L CB 0.479 42.481 42.059 -0.095 0.000 1.326 235 L HN 0.550 nan 8.230 nan 0.000 0.441 236 P HA -0.270 nan 4.420 nan 0.000 0.221 236 P C 1.179 178.488 177.300 0.015 0.000 1.160 236 P CA 1.426 64.537 63.100 0.018 0.000 0.933 236 P CB 0.381 32.087 31.700 0.008 0.000 0.793 237 E N -1.492 118.712 120.200 0.008 0.000 2.267 237 E HA -0.140 4.212 4.350 0.003 0.000 0.197 237 E C 1.610 178.224 176.600 0.023 0.000 0.998 237 E CA 1.910 58.321 56.400 0.018 0.000 0.830 237 E CB -0.397 29.318 29.700 0.025 0.000 0.751 237 E HN 0.432 nan 8.360 nan 0.000 0.491 238 T N -6.179 108.390 114.554 0.026 0.000 2.969 238 T HA 0.335 4.687 4.350 0.003 0.000 0.258 238 T C 1.417 176.117 174.700 0.001 0.000 0.962 238 T CA 0.777 62.888 62.100 0.018 0.000 0.903 238 T CB 0.903 69.798 68.868 0.045 0.000 1.177 238 T HN 0.130 nan 8.240 nan 0.000 0.511 239 G N 1.432 110.235 108.800 0.005 0.000 2.199 239 G HA2 -0.251 3.711 3.960 0.003 0.000 0.254 239 G HA3 -0.251 3.711 3.960 0.003 0.000 0.254 239 G C -0.030 174.830 174.900 -0.066 0.000 0.982 239 G CA 0.222 45.320 45.100 -0.004 0.000 0.632 239 G HN 0.719 nan 8.290 nan 0.000 0.529 240 Q N 0.706 120.471 119.800 -0.058 0.000 2.396 240 Q HA 0.549 4.890 4.340 0.003 0.000 0.221 240 Q C 0.931 176.822 176.000 -0.182 0.000 1.025 240 Q CA 0.425 56.168 55.803 -0.101 0.000 0.946 240 Q CB 0.685 29.437 28.738 0.023 0.000 1.224 240 Q HN 0.525 nan 8.270 nan 0.000 0.539 241 T N -2.805 111.582 114.554 -0.280 0.000 2.936 241 T HA 0.284 4.635 4.350 0.003 0.000 0.282 241 T C 0.756 175.405 174.700 -0.086 0.000 1.003 241 T CA -0.916 60.984 62.100 -0.334 0.000 1.005 241 T CB 1.165 69.652 68.868 -0.635 0.000 1.097 241 T HN 0.457 nan 8.240 nan 0.000 0.532 242 K N 0.100 120.476 120.400 -0.040 0.000 2.063 242 K HA -0.186 4.136 4.320 0.003 0.000 0.208 242 K C 2.173 178.865 176.600 0.154 0.000 1.048 242 K CA 1.827 58.143 56.287 0.048 0.000 0.928 242 K CB -0.235 32.271 32.500 0.010 0.000 0.713 242 K HN 0.743 nan 8.250 nan 0.000 0.442 243 E N 1.372 121.608 120.200 0.061 0.000 2.058 243 E HA -0.206 4.146 4.350 0.003 0.000 0.194 243 E C 1.570 178.211 176.600 0.069 0.000 0.997 243 E CA 1.703 58.140 56.400 0.061 0.000 0.801 243 E CB 0.077 29.777 29.700 0.001 0.000 0.746 243 E HN 0.301 nan 8.360 nan 0.000 0.450 244 E N -1.169 119.047 120.200 0.028 0.000 2.152 244 E HA -0.148 4.203 4.350 0.003 0.000 0.192 244 E C 1.624 178.291 176.600 0.111 0.000 0.983 244 E CA 0.821 57.239 56.400 0.030 0.000 0.818 244 E CB -0.331 29.342 29.700 -0.045 0.000 0.758 244 E HN 0.438 nan 8.360 nan 0.000 0.467 245 W N 2.328 123.610 121.300 -0.029 0.000 2.374 245 W HA -0.128 4.533 4.660 0.003 0.000 0.288 245 W C 1.503 178.056 176.519 0.058 0.000 1.218 245 W CA 1.218 58.573 57.345 0.016 0.000 1.245 245 W CB 0.216 29.680 29.460 0.006 0.000 1.126 245 W HN -0.151 nan 8.180 nan 0.000 0.545 246 K N -0.259 120.258 120.400 0.196 0.000 2.147 246 K HA -0.096 4.226 4.320 0.003 0.000 0.205 246 K C 2.353 178.892 176.600 -0.102 0.000 1.049 246 K CA 1.256 57.556 56.287 0.023 0.000 0.936 246 K CB -0.873 31.711 32.500 0.140 0.000 0.722 246 K HN 0.324 nan 8.250 nan 0.000 0.446 247 G N 0.768 109.549 108.800 -0.032 0.000 2.446 247 G HA2 -0.307 3.655 3.960 0.003 0.000 0.217 247 G HA3 -0.307 3.655 3.960 0.003 0.000 0.217 247 G C 1.376 176.255 174.900 -0.036 0.000 1.168 247 G CA 0.895 45.988 45.100 -0.013 0.000 0.771 247 G HN 0.264 nan 8.290 nan 0.000 0.551 248 Y N 1.773 121.930 120.300 -0.240 0.000 2.153 248 Y HA 0.205 4.757 4.550 0.003 0.000 0.289 248 Y C 2.949 178.635 175.900 -0.357 0.000 1.127 248 Y CA 1.019 58.962 58.100 -0.263 0.000 1.131 248 Y CB -0.594 37.697 38.460 -0.281 0.000 0.995 248 Y HN 0.252 nan 8.280 nan 0.000 0.505 249 A N 0.295 122.764 122.820 -0.585 0.000 1.835 249 A HA -0.193 4.129 4.320 0.003 0.000 0.215 249 A C 2.114 179.451 177.584 -0.411 0.000 1.199 249 A CA 2.000 53.624 52.037 -0.688 0.000 0.615 249 A CB -0.863 17.353 19.000 -1.306 0.000 0.838 249 A HN 0.578 nan 8.150 nan 0.000 0.444 250 E N -0.890 119.123 120.200 -0.311 0.000 2.106 250 E HA -0.119 4.233 4.350 0.003 0.000 0.192 250 E C 2.128 178.624 176.600 -0.174 0.000 0.984 250 E CA 1.491 57.789 56.400 -0.170 0.000 0.806 250 E CB -0.369 29.281 29.700 -0.083 0.000 0.750 250 E HN 0.604 nan 8.360 nan 0.000 0.458 251 T N 1.548 115.982 114.554 -0.200 0.000 2.652 251 T HA -0.141 4.211 4.350 0.003 0.000 0.267 251 T C 1.626 176.172 174.700 -0.257 0.000 1.039 251 T CA 1.222 63.179 62.100 -0.239 0.000 1.153 251 T CB -0.240 68.485 68.868 -0.238 0.000 0.863 251 T HN 0.146 nan 8.240 nan 0.000 0.428 252 N N 0.690 119.231 118.700 -0.265 0.000 2.244 252 N HA -0.051 4.691 4.740 0.003 0.000 0.183 252 N C 1.898 177.298 175.510 -0.182 0.000 1.016 252 N CA 0.821 53.728 53.050 -0.240 0.000 0.866 252 N CB -0.142 38.150 38.487 -0.325 0.000 0.980 252 N HN 0.431 nan 8.380 nan 0.000 0.430 253 K N 1.185 121.480 120.400 -0.174 0.000 2.057 253 K HA 0.026 4.348 4.320 0.003 0.000 0.206 253 K C 2.084 178.636 176.600 -0.081 0.000 1.050 253 K CA 0.616 56.835 56.287 -0.113 0.000 0.935 253 K CB 0.005 32.448 32.500 -0.096 0.000 0.715 253 K HN 0.031 nan 8.250 nan 0.000 0.439 254 I N 1.099 121.611 120.570 -0.097 0.000 2.179 254 I HA -0.293 3.879 4.170 0.003 0.000 0.242 254 I C 1.899 177.973 176.117 -0.070 0.000 1.088 254 I CA 1.228 62.485 61.300 -0.072 0.000 1.357 254 I CB -0.103 37.836 38.000 -0.101 0.000 1.051 254 I HN 0.193 nan 8.210 nan 0.000 0.409 255 L N 0.374 121.527 121.223 -0.118 0.000 2.478 255 L HA 0.083 4.425 4.340 0.003 0.000 0.223 255 L C 1.403 178.240 176.870 -0.054 0.000 1.140 255 L CA 0.580 55.361 54.840 -0.097 0.000 0.842 255 L CB -0.689 41.281 42.059 -0.149 0.000 0.953 255 L HN 0.525 nan 8.230 nan 0.000 0.452 256 G N 0.885 109.654 108.800 -0.053 0.000 2.225 256 G HA2 -0.271 3.691 3.960 0.003 0.000 0.264 256 G HA3 -0.271 3.691 3.960 0.003 0.000 0.264 256 G C 0.311 175.184 174.900 -0.044 0.000 1.060 256 G CA 0.050 45.131 45.100 -0.031 0.000 0.833 256 G HN 0.356 nan 8.290 nan 0.000 0.498 257 L N 0.891 122.072 121.223 -0.070 0.000 3.110 257 L HA 0.205 4.547 4.340 0.003 0.000 0.266 257 L C 2.288 179.099 176.870 -0.099 0.000 1.257 257 L CA 0.479 55.278 54.840 -0.069 0.000 1.038 257 L CB 0.317 42.340 42.059 -0.059 0.000 1.395 257 L HN 0.374 nan 8.230 nan 0.000 0.566 258 S N -1.303 114.336 115.700 -0.101 0.000 2.400 258 S HA -0.197 4.274 4.470 0.003 0.000 0.232 258 S C 1.275 175.820 174.600 -0.091 0.000 1.025 258 S CA 1.386 59.514 58.200 -0.121 0.000 0.993 258 S CB -0.112 63.034 63.200 -0.090 0.000 0.808 258 S HN 0.435 nan 8.310 nan 0.000 0.478 259 D N 1.645 122.012 120.400 -0.055 0.000 2.277 259 D HA 0.054 4.696 4.640 0.003 0.000 0.208 259 D C 0.551 176.836 176.300 -0.025 0.000 0.962 259 D CA 0.796 54.777 54.000 -0.031 0.000 0.865 259 D CB -0.271 40.518 40.800 -0.018 0.000 0.939 259 D HN 0.569 nan 8.370 nan 0.000 0.510 260 N N 0.607 119.286 118.700 -0.035 0.000 2.733 260 N HA 0.116 4.858 4.740 0.003 0.000 0.271 260 N C -2.801 172.689 175.510 -0.033 0.000 1.720 260 N CA -1.417 51.622 53.050 -0.018 0.000 0.803 260 N CB 1.044 39.527 38.487 -0.008 0.000 1.208 260 N HN -0.185 nan 8.380 nan 0.000 0.498 261 P HA 0.138 nan 4.420 nan 0.000 0.269 261 P C -0.274 177.019 177.300 -0.012 0.000 1.209 261 P CA 0.024 63.030 63.100 -0.155 0.000 0.776 261 P CB 1.444 32.890 31.700 -0.423 0.000 0.876 262 I N 4.036 124.613 120.570 0.010 0.000 2.353 262 I HA 0.239 4.411 4.170 0.003 0.000 0.293 262 I C -2.115 174.180 176.117 0.297 0.000 0.992 262 I CA -2.827 58.566 61.300 0.155 0.000 1.268 262 I CB 1.479 39.595 38.000 0.193 0.000 1.387 262 I HN 0.107 nan 8.210 nan 0.000 0.478 263 P HA 0.110 nan 4.420 nan 0.000 0.271 263 P C -1.034 176.451 177.300 0.308 0.000 1.226 263 P CA 0.037 63.358 63.100 0.369 0.000 0.765 263 P CB 0.611 32.415 31.700 0.174 0.000 0.835 264 V N 4.390 124.484 119.914 0.300 0.000 2.488 264 V HA 0.457 4.579 4.120 0.003 0.000 0.293 264 V C -0.494 175.667 176.094 0.111 0.000 1.027 264 V CA -0.203 62.221 62.300 0.206 0.000 0.862 264 V CB 1.867 33.799 31.823 0.182 0.000 1.008 264 V HN 0.469 nan 8.190 nan 0.000 0.428 265 D N 2.081 122.523 120.400 0.070 0.000 2.599 265 D HA 0.863 5.505 4.640 0.003 0.000 0.252 265 D C -0.004 176.315 176.300 0.032 0.000 1.232 265 D CA 0.714 54.717 54.000 0.005 0.000 0.819 265 D CB 2.775 43.521 40.800 -0.091 0.000 1.401 265 D HN 0.825 nan 8.370 nan 0.000 0.429 266 G N -0.267 108.537 108.800 0.006 0.000 2.367 266 G HA2 0.330 4.291 3.960 0.003 0.000 0.272 266 G HA3 0.330 4.291 3.960 0.003 0.000 0.272 266 G C -1.877 173.012 174.900 -0.019 0.000 1.271 266 G CA -0.713 44.397 45.100 0.015 0.000 0.893 266 G HN 0.446 nan 8.290 nan 0.000 0.485 267 L N -0.154 121.056 121.223 -0.022 0.000 2.341 267 L HA 0.590 4.932 4.340 0.003 0.000 0.278 267 L C -0.444 176.383 176.870 -0.071 0.000 1.005 267 L CA -0.836 53.968 54.840 -0.061 0.000 0.818 267 L CB 2.095 44.119 42.059 -0.058 0.000 1.259 267 L HN 0.560 nan 8.230 nan 0.000 0.418 268 C N 3.274 122.520 119.300 -0.091 0.000 2.281 268 C HA 0.658 5.120 4.460 0.003 0.000 0.325 268 C C 0.268 175.204 174.990 -0.089 0.000 1.282 268 C CA -0.702 58.262 59.018 -0.090 0.000 1.640 268 C CB 0.844 28.536 27.740 -0.080 0.000 2.288 268 C HN 0.473 nan 8.230 nan 0.000 0.507 269 V N 3.957 123.802 119.914 -0.115 0.000 2.604 269 V HA 0.526 4.648 4.120 0.003 0.000 0.305 269 V C -0.028 176.027 176.094 -0.065 0.000 1.043 269 V CA -0.747 61.495 62.300 -0.096 0.000 0.888 269 V CB 1.840 33.557 31.823 -0.176 0.000 0.995 269 V HN 0.811 nan 8.190 nan 0.000 0.429 270 R N 4.210 124.702 120.500 -0.013 0.000 2.254 270 R HA 0.712 5.054 4.340 0.003 0.000 0.318 270 R C -0.493 175.792 176.300 -0.026 0.000 1.031 270 R CA -0.222 55.883 56.100 0.008 0.000 0.905 270 R CB 0.724 31.051 30.300 0.045 0.000 1.050 270 R HN 0.822 nan 8.270 nan 0.000 0.456 271 I N -0.073 120.506 120.570 0.014 0.000 3.170 271 I HA 0.625 4.797 4.170 0.003 0.000 0.312 271 I C 0.577 176.699 176.117 0.007 0.000 1.085 271 I CA -1.385 59.928 61.300 0.022 0.000 0.999 271 I CB 2.136 40.204 38.000 0.113 0.000 1.233 271 I HN 0.630 nan 8.210 nan 0.000 0.467 272 G N 1.865 110.671 108.800 0.010 0.000 3.263 272 G HA2 0.501 4.463 3.960 0.003 0.000 0.246 272 G HA3 0.501 4.463 3.960 0.003 0.000 0.246 272 G C 0.041 174.974 174.900 0.054 0.000 0.982 272 G CA 0.143 45.249 45.100 0.011 0.000 1.897 272 G HN 0.884 nan 8.290 nan 0.000 0.624 273 A N 0.011 122.880 122.820 0.082 0.000 2.337 273 A HA 0.743 5.065 4.320 0.003 0.000 0.331 273 A C 0.961 178.607 177.584 0.103 0.000 1.137 273 A CA -0.710 51.385 52.037 0.098 0.000 0.807 273 A CB 1.292 20.367 19.000 0.126 0.000 1.250 273 A HN 0.230 nan 8.150 nan 0.000 0.468 274 L N 0.125 121.398 121.223 0.084 0.000 2.071 274 L HA 0.070 4.412 4.340 0.003 0.000 0.201 274 L C 2.292 179.201 176.870 0.064 0.000 1.076 274 L CA 1.180 56.067 54.840 0.078 0.000 0.755 274 L CB -0.126 41.967 42.059 0.057 0.000 0.915 274 L HN 0.843 nan 8.230 nan 0.000 0.445 275 R N -2.379 118.143 120.500 0.037 0.000 2.469 275 R HA 0.227 4.569 4.340 0.003 0.000 0.250 275 R C -0.204 176.060 176.300 -0.060 0.000 0.909 275 R CA -0.266 55.826 56.100 -0.012 0.000 1.050 275 R CB 0.843 31.136 30.300 -0.011 0.000 1.256 275 R HN 0.240 nan 8.270 nan 0.000 0.550 276 C N 1.830 121.130 119.300 -0.000 0.000 2.329 276 C HA 0.447 4.908 4.460 0.003 0.000 0.329 276 C C -0.208 174.847 174.990 0.109 0.000 1.275 276 C CA -0.935 58.088 59.018 0.009 0.000 1.726 276 C CB 0.499 28.271 27.740 0.052 0.000 2.291 276 C HN 0.326 nan 8.230 nan 0.000 0.514 277 H N 1.207 120.316 119.070 0.064 0.000 2.473 277 H HA 0.523 5.081 4.556 0.003 0.000 0.327 277 H C -0.015 175.317 175.328 0.005 0.000 1.105 277 H CA 0.119 56.204 56.048 0.061 0.000 1.280 277 H CB 1.430 31.230 29.762 0.064 0.000 1.450 277 H HN 0.602 nan 8.280 nan 0.000 0.492 278 S N 2.398 118.167 115.700 0.115 0.000 2.607 278 S HA 0.571 5.043 4.470 0.003 0.000 0.303 278 S C -0.497 173.967 174.600 -0.228 0.000 1.086 278 S CA -0.903 57.194 58.200 -0.171 0.000 0.995 278 S CB 2.060 65.152 63.200 -0.180 0.000 1.084 278 S HN 0.526 nan 8.310 nan 0.000 0.507 279 Q N 0.408 119.786 119.800 -0.705 0.000 2.309 279 Q HA 0.650 4.992 4.340 0.003 0.000 0.273 279 Q C -1.472 173.911 176.000 -1.029 0.000 1.040 279 Q CA -0.768 54.656 55.803 -0.631 0.000 0.834 279 Q CB 2.283 30.642 28.738 -0.631 0.000 1.345 279 Q HN 0.735 nan 8.270 nan 0.000 0.414 280 A N 2.726 125.311 122.820 -0.392 0.000 2.288 280 A HA 0.812 5.134 4.320 0.003 0.000 0.320 280 A C -1.211 176.289 177.584 -0.139 0.000 1.217 280 A CA -0.308 51.678 52.037 -0.086 0.000 0.840 280 A CB 0.271 19.491 19.000 0.367 0.000 1.179 280 A HN 0.622 nan 8.150 nan 0.000 0.504 281 F N 0.617 120.663 119.950 0.160 0.000 2.522 281 F HA 0.552 5.081 4.527 0.003 0.000 0.324 281 F C 0.634 176.519 175.800 0.141 0.000 1.077 281 F CA -0.623 57.457 58.000 0.133 0.000 0.944 281 F CB 2.893 41.945 39.000 0.087 0.000 1.175 281 F HN 0.388 nan 8.300 nan 0.000 0.468 282 T N 3.908 118.691 114.554 0.382 0.000 2.991 282 T HA 0.465 4.817 4.350 0.003 0.000 0.347 282 T C -0.464 174.347 174.700 0.185 0.000 1.122 282 T CA -0.337 61.935 62.100 0.287 0.000 1.062 282 T CB 0.106 69.185 68.868 0.353 0.000 1.043 282 T HN 0.284 nan 8.240 nan 0.000 0.491 283 I N 3.104 123.682 120.570 0.012 0.000 2.321 283 I HA 0.399 4.571 4.170 0.003 0.000 0.291 283 I C 0.240 176.059 176.117 -0.497 0.000 0.998 283 I CA -0.982 60.181 61.300 -0.227 0.000 1.227 283 I CB 1.219 39.092 38.000 -0.211 0.000 1.368 283 I HN 0.174 nan 8.210 nan 0.000 0.466 284 K N 7.932 127.752 120.400 -0.967 0.000 2.263 284 K HA 0.456 4.778 4.320 0.003 0.000 0.282 284 K C -0.965 175.137 176.600 -0.831 0.000 1.089 284 K CA -0.071 55.447 56.287 -1.281 0.000 0.907 284 K CB 0.242 31.327 32.500 -2.358 0.000 1.148 284 K HN 0.520 nan 8.250 nan 0.000 0.470 285 L N 4.346 125.201 121.223 -0.613 0.000 2.421 285 L HA 0.329 4.671 4.340 0.003 0.000 0.263 285 L C 1.176 177.826 176.870 -0.367 0.000 1.122 285 L CA -0.526 54.062 54.840 -0.421 0.000 0.804 285 L CB 1.006 42.881 42.059 -0.306 0.000 1.150 285 L HN 0.663 nan 8.230 nan 0.000 0.457 286 K N 0.400 120.640 120.400 -0.266 0.000 2.365 286 K HA 0.110 4.432 4.320 0.003 0.000 0.197 286 K C -0.129 176.379 176.600 -0.152 0.000 1.042 286 K CA 0.706 56.876 56.287 -0.195 0.000 0.987 286 K CB 0.267 32.678 32.500 -0.149 0.000 0.779 286 K HN 0.443 nan 8.250 nan 0.000 0.484 287 K N 0.422 120.731 120.400 -0.152 0.000 2.466 287 K HA 0.158 4.480 4.320 0.003 0.000 0.260 287 K C -1.497 175.036 176.600 -0.111 0.000 1.011 287 K CA -0.910 55.311 56.287 -0.111 0.000 0.871 287 K CB 1.670 34.118 32.500 -0.087 0.000 1.404 287 K HN -0.218 nan 8.250 nan 0.000 0.450 288 D N 1.877 122.230 120.400 -0.078 0.000 2.412 288 D HA 0.337 4.978 4.640 0.003 0.000 0.224 288 D C -1.334 174.936 176.300 -0.051 0.000 1.093 288 D CA -0.390 53.573 54.000 -0.063 0.000 0.850 288 D CB 0.323 41.099 40.800 -0.041 0.000 1.046 288 D HN 0.198 nan 8.370 nan 0.000 0.507 289 L N 4.779 125.969 121.223 -0.055 0.000 2.330 289 L HA 0.588 4.930 4.340 0.003 0.000 0.271 289 L C -2.076 174.775 176.870 -0.032 0.000 1.013 289 L CA -2.104 52.710 54.840 -0.044 0.000 0.816 289 L CB 1.512 43.540 42.059 -0.052 0.000 1.287 289 L HN 0.307 nan 8.230 nan 0.000 0.435 290 P HA 0.081 nan 4.420 nan 0.000 0.271 290 P C 0.599 177.890 177.300 -0.015 0.000 1.216 290 P CA -0.407 62.684 63.100 -0.015 0.000 0.776 290 P CB 0.647 32.340 31.700 -0.012 0.000 0.881 291 L N 3.403 124.621 121.223 -0.009 0.000 2.081 291 L HA -0.219 4.123 4.340 0.003 0.000 0.212 291 L C 2.070 178.938 176.870 -0.003 0.000 1.080 291 L CA 1.939 56.776 54.840 -0.005 0.000 0.754 291 L CB -0.939 41.122 42.059 0.003 0.000 0.893 291 L HN 0.481 nan 8.230 nan 0.000 0.433 292 E N -0.818 119.381 120.200 -0.003 0.000 2.085 292 E HA -0.299 4.053 4.350 0.003 0.000 0.194 292 E C 2.115 178.713 176.600 -0.004 0.000 0.994 292 E CA 1.488 57.887 56.400 -0.001 0.000 0.801 292 E CB -0.083 29.616 29.700 -0.002 0.000 0.743 292 E HN 0.665 nan 8.360 nan 0.000 0.453 293 E N 0.209 120.404 120.200 -0.009 0.000 2.072 293 E HA -0.171 4.181 4.350 0.003 0.000 0.191 293 E C 2.164 178.755 176.600 -0.014 0.000 0.985 293 E CA 0.925 57.317 56.400 -0.012 0.000 0.801 293 E CB -0.040 29.649 29.700 -0.018 0.000 0.750 293 E HN 0.317 nan 8.360 nan 0.000 0.452 294 I N 0.989 121.547 120.570 -0.019 0.000 2.208 294 I HA -0.273 3.899 4.170 0.003 0.000 0.245 294 I C 2.224 178.336 176.117 -0.009 0.000 1.097 294 I CA 1.330 62.616 61.300 -0.024 0.000 1.363 294 I CB -0.239 37.743 38.000 -0.030 0.000 1.051 294 I HN 0.174 nan 8.210 nan 0.000 0.413 295 E N 0.368 120.569 120.200 0.001 0.000 2.072 295 E HA -0.251 4.100 4.350 0.003 0.000 0.191 295 E C 2.242 178.849 176.600 0.013 0.000 0.985 295 E CA 1.065 57.472 56.400 0.012 0.000 0.801 295 E CB -0.041 29.668 29.700 0.014 0.000 0.750 295 E HN 0.554 nan 8.360 nan 0.000 0.452 296 Q N 0.138 119.942 119.800 0.007 0.000 2.079 296 Q HA -0.154 4.188 4.340 0.003 0.000 0.200 296 Q C 2.215 178.222 176.000 0.013 0.000 0.974 296 Q CA 0.879 56.686 55.803 0.007 0.000 0.840 296 Q CB 0.001 28.740 28.738 0.001 0.000 0.898 296 Q HN 0.275 nan 8.270 nan 0.000 0.430 297 I N 0.769 121.344 120.570 0.008 0.000 2.226 297 I HA -0.250 3.922 4.170 0.003 0.000 0.245 297 I C 2.278 178.417 176.117 0.036 0.000 1.100 297 I CA 1.416 62.725 61.300 0.015 0.000 1.374 297 I CB -0.913 37.084 38.000 -0.006 0.000 1.057 297 I HN 0.255 nan 8.210 nan 0.000 0.413 298 I N 0.906 121.490 120.570 0.024 0.000 2.142 298 I HA -0.268 3.904 4.170 0.003 0.000 0.240 298 I C 2.738 178.893 176.117 0.063 0.000 1.078 298 I CA 1.445 62.766 61.300 0.036 0.000 1.343 298 I CB -0.413 37.603 38.000 0.027 0.000 1.046 298 I HN 0.121 nan 8.210 nan 0.000 0.405 299 A N -0.179 122.669 122.820 0.047 0.000 1.933 299 A HA -0.186 4.136 4.320 0.003 0.000 0.218 299 A C 2.405 180.015 177.584 0.042 0.000 1.175 299 A CA 2.088 54.151 52.037 0.043 0.000 0.628 299 A CB -0.658 18.357 19.000 0.026 0.000 0.814 299 A HN 0.393 nan 8.150 nan 0.000 0.444 300 S N -1.316 114.409 115.700 0.041 0.000 2.481 300 S HA -0.103 4.369 4.470 0.003 0.000 0.231 300 S C 1.779 176.401 174.600 0.038 0.000 0.996 300 S CA 0.614 58.828 58.200 0.025 0.000 0.942 300 S CB -0.522 62.687 63.200 0.016 0.000 0.768 300 S HN 0.757 nan 8.310 nan 0.000 0.520 301 H N 2.686 121.755 119.070 -0.002 0.000 2.352 301 H HA -0.064 4.494 4.556 0.003 0.000 0.299 301 H C 0.496 175.830 175.328 0.010 0.000 1.097 301 H CA 1.808 57.860 56.048 0.007 0.000 1.311 301 H CB 0.128 29.899 29.762 0.016 0.000 1.377 301 H HN 0.616 nan 8.280 nan 0.000 0.504 302 N N -1.564 117.157 118.700 0.035 0.000 2.927 302 N HA -0.024 4.718 4.740 0.003 0.000 0.248 302 N C 0.087 175.545 175.510 -0.088 0.000 1.443 302 N CA -0.276 52.765 53.050 -0.015 0.000 0.870 302 N CB 0.517 39.126 38.487 0.203 0.000 1.444 302 N HN 0.125 nan 8.380 nan 0.000 0.519 303 E N -0.980 119.001 120.200 -0.365 0.000 2.482 303 E HA -0.035 4.317 4.350 0.003 0.000 0.196 303 E C -0.116 176.174 176.600 -0.516 0.000 1.047 303 E CA 0.343 56.414 56.400 -0.548 0.000 0.869 303 E CB -0.121 29.072 29.700 -0.846 0.000 0.836 303 E HN 0.645 nan 8.360 nan 0.000 0.520 304 W N 1.315 122.642 121.300 0.046 0.000 2.683 304 W HA 0.267 4.929 4.660 0.002 0.000 0.267 304 W C 1.079 177.627 176.519 0.048 0.000 1.243 304 W CA -0.499 56.896 57.345 0.083 0.000 1.380 304 W CB 0.039 29.570 29.460 0.119 0.000 1.063 304 W HN -0.090 nan 8.180 nan 0.000 0.599 305 V N 2.990 123.032 119.914 0.213 0.000 2.872 305 V HA 0.044 4.166 4.120 0.003 0.000 0.307 305 V C 0.022 176.178 176.094 0.103 0.000 1.072 305 V CA 0.605 62.988 62.300 0.138 0.000 1.148 305 V CB 0.984 32.873 31.823 0.111 0.000 0.954 305 V HN 0.035 nan 8.190 nan 0.000 0.490 306 K N 5.296 125.754 120.400 0.096 0.000 2.637 306 K HA 0.468 4.790 4.320 0.003 0.000 0.248 306 K C -1.511 175.131 176.600 0.070 0.000 0.971 306 K CA -0.690 55.642 56.287 0.075 0.000 0.858 306 K CB 1.853 34.403 32.500 0.083 0.000 1.170 306 K HN 0.565 nan 8.250 nan 0.000 0.443 307 V N 5.835 125.783 119.914 0.057 0.000 2.470 307 V HA 0.145 4.267 4.120 0.003 0.000 0.276 307 V C 0.313 176.438 176.094 0.051 0.000 1.040 307 V CA -0.317 62.016 62.300 0.055 0.000 1.008 307 V CB 0.552 32.401 31.823 0.044 0.000 0.990 307 V HN 0.604 nan 8.190 nan 0.000 0.477 308 I N 7.653 128.258 120.570 0.058 0.000 2.315 308 I HA 0.377 4.549 4.170 0.003 0.000 0.291 308 I C -2.071 174.071 176.117 0.041 0.000 1.006 308 I CA -3.020 58.310 61.300 0.050 0.000 1.265 308 I CB 1.019 39.055 38.000 0.060 0.000 1.387 308 I HN 0.399 nan 8.210 nan 0.000 0.475 309 P HA -0.025 nan 4.420 nan 0.000 0.265 309 P C 0.257 177.570 177.300 0.021 0.000 1.187 309 P CA 0.071 63.185 63.100 0.023 0.000 0.766 309 P CB 0.376 32.087 31.700 0.018 0.000 0.820 310 N N 2.029 120.740 118.700 0.018 0.000 3.167 310 N HA -0.021 4.721 4.740 0.003 0.000 0.318 310 N C -0.741 174.772 175.510 0.004 0.000 1.268 310 N CA 0.167 53.224 53.050 0.012 0.000 1.197 310 N CB -0.833 37.663 38.487 0.015 0.000 1.464 310 N HN 0.339 nan 8.380 nan 0.000 0.555 311 D N -0.815 119.587 120.400 0.003 0.000 2.350 311 D HA 0.204 4.846 4.640 0.003 0.000 0.245 311 D C 0.973 177.269 176.300 -0.007 0.000 1.036 311 D CA -0.711 53.288 54.000 -0.001 0.000 0.848 311 D CB 1.367 42.169 40.800 0.003 0.000 1.307 311 D HN 0.024 nan 8.370 nan 0.000 0.469 312 K N 2.091 122.485 120.400 -0.011 0.000 1.985 312 K HA -0.211 4.110 4.320 0.003 0.000 0.210 312 K C 1.546 178.138 176.600 -0.013 0.000 1.047 312 K CA 1.504 57.781 56.287 -0.017 0.000 0.932 312 K CB 0.010 32.499 32.500 -0.017 0.000 0.716 312 K HN 0.632 nan 8.250 nan 0.000 0.439 313 E N 0.446 120.642 120.200 -0.007 0.000 2.085 313 E HA -0.197 4.155 4.350 0.003 0.000 0.194 313 E C 1.983 178.584 176.600 0.001 0.000 0.994 313 E CA 1.494 57.892 56.400 -0.003 0.000 0.801 313 E CB -0.073 29.627 29.700 -0.000 0.000 0.743 313 E HN 0.421 nan 8.360 nan 0.000 0.453 314 I N 0.438 121.010 120.570 0.003 0.000 2.353 314 I HA -0.194 3.978 4.170 0.003 0.000 0.248 314 I C 2.361 178.484 176.117 0.011 0.000 1.119 314 I CA 1.104 62.410 61.300 0.010 0.000 1.417 314 I CB -0.363 37.645 38.000 0.013 0.000 1.078 314 I HN 0.141 nan 8.210 nan 0.000 0.421 315 T N 1.420 115.975 114.554 0.003 0.000 2.708 315 T HA -0.121 4.231 4.350 0.003 0.000 0.266 315 T C 1.862 176.558 174.700 -0.007 0.000 1.037 315 T CA 1.257 63.355 62.100 -0.002 0.000 1.146 315 T CB -0.227 68.625 68.868 -0.026 0.000 0.865 315 T HN 0.082 nan 8.240 nan 0.000 0.435 316 L N 0.718 121.933 121.223 -0.014 0.000 2.131 316 L HA 0.058 4.400 4.340 0.003 0.000 0.210 316 L C 2.444 179.316 176.870 0.003 0.000 1.092 316 L CA 1.512 56.345 54.840 -0.013 0.000 0.759 316 L CB -0.558 41.493 42.059 -0.014 0.000 0.903 316 L HN 0.128 nan 8.230 nan 0.000 0.435 317 R N -1.072 119.434 120.500 0.010 0.000 2.173 317 R HA -0.009 4.333 4.340 0.003 0.000 0.208 317 R C 1.541 177.858 176.300 0.028 0.000 1.035 317 R CA 0.643 56.753 56.100 0.018 0.000 1.004 317 R CB 0.355 30.665 30.300 0.017 0.000 0.917 317 R HN 0.301 nan 8.270 nan 0.000 0.462 318 E N -0.199 120.020 120.200 0.033 0.000 2.364 318 E HA -0.006 4.346 4.350 0.003 0.000 0.203 318 E C 0.031 176.669 176.600 0.063 0.000 0.888 318 E CA 0.061 56.489 56.400 0.047 0.000 0.989 318 E CB 0.368 30.096 29.700 0.046 0.000 0.985 318 E HN 0.072 nan 8.360 nan 0.000 0.499 319 L N 2.719 123.980 121.223 0.064 0.000 2.865 319 L HA 0.196 4.538 4.340 0.003 0.000 0.233 319 L C -0.399 176.538 176.870 0.111 0.000 1.320 319 L CA 0.226 55.128 54.840 0.104 0.000 1.225 319 L CB -0.403 41.727 42.059 0.118 0.000 1.542 319 L HN -0.007 nan 8.230 nan 0.000 0.432 320 T N -2.764 111.844 114.554 0.091 0.000 2.868 320 T HA 0.487 4.839 4.350 0.003 0.000 0.306 320 T C -2.420 172.327 174.700 0.077 0.000 1.224 320 T CA -1.471 60.679 62.100 0.083 0.000 1.012 320 T CB 1.754 70.650 68.868 0.047 0.000 1.221 320 T HN -0.148 nan 8.240 nan 0.000 0.499 321 P HA 0.030 nan 4.420 nan 0.000 0.218 321 P C 1.713 179.046 177.300 0.056 0.000 1.149 321 P CA 1.476 64.617 63.100 0.068 0.000 0.817 321 P CB -0.220 31.525 31.700 0.074 0.000 0.785 322 A N -0.211 122.639 122.820 0.050 0.000 1.940 322 A HA -0.251 4.071 4.320 0.003 0.000 0.219 322 A C 2.254 179.863 177.584 0.041 0.000 1.176 322 A CA 2.263 54.325 52.037 0.041 0.000 0.631 322 A CB -0.967 18.054 19.000 0.035 0.000 0.814 322 A HN 0.107 nan 8.150 nan 0.000 0.446 323 K N -0.579 119.849 120.400 0.047 0.000 2.067 323 K HA 0.070 4.392 4.320 0.003 0.000 0.203 323 K C 1.595 178.229 176.600 0.056 0.000 1.048 323 K CA 1.592 57.908 56.287 0.049 0.000 0.954 323 K CB -0.527 32.004 32.500 0.052 0.000 0.737 323 K HN 0.131 nan 8.250 nan 0.000 0.444 324 V N 1.361 121.313 119.914 0.065 0.000 2.453 324 V HA -0.091 4.031 4.120 0.003 0.000 0.247 324 V C 0.490 176.620 176.094 0.061 0.000 1.048 324 V CA 1.404 63.748 62.300 0.073 0.000 1.049 324 V CB -0.771 31.102 31.823 0.083 0.000 0.672 324 V HN 0.342 nan 8.190 nan 0.000 0.457 325 T N 1.282 115.865 114.554 0.048 0.000 2.819 325 T HA 0.266 4.618 4.350 0.003 0.000 0.282 325 T C 1.281 175.996 174.700 0.026 0.000 1.013 325 T CA 1.247 63.367 62.100 0.033 0.000 1.159 325 T CB 0.115 69.001 68.868 0.030 0.000 1.007 325 T HN 0.885 nan 8.240 nan 0.000 0.514 326 G N 2.816 111.622 108.800 0.011 0.000 2.184 326 G HA2 -0.266 3.695 3.960 0.003 0.000 0.264 326 G HA3 -0.266 3.695 3.960 0.003 0.000 0.264 326 G C 0.339 175.242 174.900 0.004 0.000 0.975 326 G CA 0.492 45.593 45.100 0.001 0.000 0.642 326 G HN 1.227 nan 8.290 nan 0.000 0.536 327 T N -2.286 112.284 114.554 0.026 0.000 2.942 327 T HA 0.728 5.080 4.350 0.003 0.000 0.289 327 T C 1.152 175.892 174.700 0.067 0.000 1.044 327 T CA -0.524 61.607 62.100 0.052 0.000 1.023 327 T CB 1.844 70.765 68.868 0.087 0.000 1.123 327 T HN 0.283 nan 8.240 nan 0.000 0.512 328 L N 0.912 122.208 121.223 0.120 0.000 2.592 328 L HA 0.247 4.589 4.340 0.003 0.000 0.227 328 L C 1.535 178.720 176.870 0.526 0.000 1.127 328 L CA -0.189 54.770 54.840 0.198 0.000 0.884 328 L CB -0.018 42.142 42.059 0.169 0.000 1.065 328 L HN 0.714 nan 8.230 nan 0.000 0.457 329 S N 0.285 116.205 115.700 0.367 0.000 2.564 329 S HA 0.256 4.728 4.470 0.003 0.000 0.278 329 S C -0.014 174.757 174.600 0.285 0.000 1.333 329 S CA -0.354 58.048 58.200 0.337 0.000 1.048 329 S CB 0.953 64.281 63.200 0.214 0.000 0.900 329 S HN -0.009 nan 8.310 nan 0.000 0.505 330 V N 8.198 128.262 119.914 0.250 0.000 2.313 330 V HA 0.349 4.471 4.120 0.003 0.000 0.262 330 V C -2.127 174.043 176.094 0.128 0.000 1.011 330 V CA -1.562 60.838 62.300 0.167 0.000 0.858 330 V CB 0.847 32.734 31.823 0.106 0.000 1.104 330 V HN 0.752 nan 8.190 nan 0.000 0.456 331 P HA 0.201 nan 4.420 nan 0.000 0.271 331 P C -0.661 176.697 177.300 0.095 0.000 1.216 331 P CA 0.215 63.376 63.100 0.102 0.000 0.776 331 P CB 2.507 34.266 31.700 0.100 0.000 0.881 332 V N 2.694 122.668 119.914 0.099 0.000 2.577 332 V HA 0.816 4.937 4.120 0.003 0.000 0.303 332 V C -0.140 176.022 176.094 0.114 0.000 1.042 332 V CA -0.069 62.297 62.300 0.110 0.000 0.872 332 V CB 1.587 33.479 31.823 0.114 0.000 0.998 332 V HN 0.880 nan 8.190 nan 0.000 0.423 333 G N 4.262 113.147 108.800 0.142 0.000 2.911 333 G HA2 0.592 4.554 3.960 0.003 0.000 0.299 333 G HA3 0.592 4.554 3.960 0.003 0.000 0.299 333 G C -0.454 174.523 174.900 0.128 0.000 1.283 333 G CA -0.595 44.575 45.100 0.117 0.000 0.805 333 G HN 0.773 nan 8.290 nan 0.000 0.548 334 R N -1.518 119.030 120.500 0.080 0.000 3.758 334 R HA -0.135 4.207 4.340 0.003 0.000 0.299 334 R C 0.026 176.371 176.300 0.075 0.000 1.182 334 R CA 0.302 56.437 56.100 0.060 0.000 0.809 334 R CB -2.589 27.744 30.300 0.054 0.000 1.249 334 R HN 0.448 nan 8.270 nan 0.000 0.497 335 L N 1.876 123.142 121.223 0.072 0.000 2.418 335 L HA 0.251 4.593 4.340 0.003 0.000 0.274 335 L C 1.217 178.115 176.870 0.046 0.000 1.135 335 L CA 0.425 55.304 54.840 0.066 0.000 0.870 335 L CB 0.412 42.505 42.059 0.057 0.000 1.154 335 L HN 0.258 nan 8.230 nan 0.000 0.462 336 R N 1.900 122.428 120.500 0.048 0.000 2.765 336 R HA 0.445 4.787 4.340 0.003 0.000 0.277 336 R C -1.635 174.690 176.300 0.042 0.000 1.028 336 R CA -1.230 54.892 56.100 0.036 0.000 0.860 336 R CB 0.920 31.240 30.300 0.032 0.000 1.270 336 R HN 0.065 nan 8.270 nan 0.000 0.484 337 K N 1.582 122.003 120.400 0.035 0.000 2.270 337 K HA 0.365 4.686 4.320 0.003 0.000 0.276 337 K C -0.040 176.593 176.600 0.054 0.000 1.023 337 K CA -0.435 55.880 56.287 0.046 0.000 0.955 337 K CB 0.631 33.154 32.500 0.037 0.000 0.975 337 K HN 0.472 nan 8.250 nan 0.000 0.471 338 L N 1.112 122.382 121.223 0.078 0.000 2.399 338 L HA 0.223 4.565 4.340 0.003 0.000 0.265 338 L C 1.560 178.440 176.870 0.017 0.000 1.089 338 L CA -0.353 54.519 54.840 0.054 0.000 0.802 338 L CB 1.081 43.184 42.059 0.073 0.000 1.180 338 L HN 0.737 nan 8.230 nan 0.000 0.454 339 A N 1.530 124.343 122.820 -0.012 0.000 2.076 339 A HA -0.193 4.129 4.320 0.003 0.000 0.220 339 A C 1.951 179.488 177.584 -0.078 0.000 1.160 339 A CA 1.641 53.659 52.037 -0.031 0.000 0.653 339 A CB -0.488 18.495 19.000 -0.028 0.000 0.801 339 A HN 0.801 nan 8.150 nan 0.000 0.455 340 M N -1.284 118.209 119.600 -0.178 0.000 2.296 340 M HA 0.186 4.667 4.480 0.003 0.000 0.265 340 M C 1.077 177.252 176.300 -0.208 0.000 1.064 340 M CA 1.298 56.371 55.300 -0.377 0.000 1.109 340 M CB -0.301 31.710 32.600 -0.981 0.000 1.396 340 M HN 0.533 nan 8.290 nan 0.000 0.430 341 G N -2.261 106.553 108.800 0.022 0.000 2.350 341 G HA2 0.205 4.167 3.960 0.003 0.000 0.304 341 G HA3 0.205 4.167 3.960 0.003 0.000 0.304 341 G C -2.734 172.292 174.900 0.210 0.000 1.421 341 G CA -1.118 44.091 45.100 0.182 0.000 0.934 341 G HN -0.158 nan 8.290 nan 0.000 0.632 342 P HA 0.048 nan 4.420 nan 0.000 0.228 342 P C 1.033 178.338 177.300 0.008 0.000 1.151 342 P CA 1.099 64.229 63.100 0.050 0.000 0.770 342 P CB 0.272 31.985 31.700 0.022 0.000 0.786 343 E N -2.454 117.741 120.200 -0.009 0.000 2.474 343 E HA 0.029 4.381 4.350 0.003 0.000 0.195 343 E C -0.340 176.033 176.600 -0.379 0.000 1.039 343 E CA -0.021 56.251 56.400 -0.214 0.000 0.881 343 E CB 0.076 29.590 29.700 -0.311 0.000 0.970 343 E HN 0.380 nan 8.360 nan 0.000 0.486 344 Y N 1.006 121.236 120.300 -0.117 0.000 2.369 344 Y HA 0.296 4.847 4.550 0.003 0.000 0.337 344 Y C -0.222 175.629 175.900 -0.081 0.000 0.961 344 Y CA -0.933 57.091 58.100 -0.128 0.000 1.186 344 Y CB 0.944 39.365 38.460 -0.066 0.000 1.139 344 Y HN -0.033 nan 8.280 nan 0.000 0.494 345 L N 3.651 124.876 121.223 0.002 0.000 2.307 345 L HA 0.889 5.231 4.340 0.003 0.000 0.284 345 L C -0.421 176.495 176.870 0.077 0.000 1.023 345 L CA -0.514 54.338 54.840 0.020 0.000 0.810 345 L CB 1.120 43.154 42.059 -0.041 0.000 1.231 345 L HN 0.630 nan 8.230 nan 0.000 0.423 346 A N 4.156 127.036 122.820 0.099 0.000 2.303 346 A HA 0.969 5.291 4.320 0.003 0.000 0.317 346 A C -0.630 177.049 177.584 0.157 0.000 1.149 346 A CA 0.130 52.252 52.037 0.141 0.000 0.822 346 A CB 1.010 20.081 19.000 0.118 0.000 1.131 346 A HN 1.311 nan 8.150 nan 0.000 0.493 347 A N 0.682 123.637 122.820 0.225 0.000 2.594 347 A HA 0.692 5.014 4.320 0.003 0.000 0.296 347 A C -1.619 176.107 177.584 0.237 0.000 1.061 347 A CA -0.344 51.840 52.037 0.246 0.000 0.689 347 A CB 0.854 20.034 19.000 0.299 0.000 1.280 347 A HN 1.564 nan 8.150 nan 0.000 0.406 348 F N 0.787 120.743 119.950 0.009 0.000 2.561 348 F HA 0.757 5.286 4.527 0.003 0.000 0.313 348 F C -0.050 175.703 175.800 -0.078 0.000 1.126 348 F CA 0.128 58.055 58.000 -0.123 0.000 0.918 348 F CB 2.367 41.299 39.000 -0.114 0.000 1.199 348 F HN 0.732 nan 8.300 nan 0.000 0.444 349 T N 4.658 118.820 114.554 -0.653 0.000 2.906 349 T HA 0.800 5.152 4.350 0.003 0.000 0.295 349 T C -1.944 172.517 174.700 -0.399 0.000 1.075 349 T CA -0.481 61.441 62.100 -0.296 0.000 1.005 349 T CB 1.478 70.309 68.868 -0.061 0.000 1.136 349 T HN 0.416 nan 8.240 nan 0.000 0.498 350 V N 2.067 121.913 119.914 -0.112 0.000 2.709 350 V HA 0.899 5.021 4.120 0.003 0.000 0.308 350 V C 0.395 176.514 176.094 0.041 0.000 1.062 350 V CA -0.543 61.733 62.300 -0.040 0.000 0.901 350 V CB 1.761 33.611 31.823 0.045 0.000 1.003 350 V HN 1.165 nan 8.190 nan 0.000 0.425 351 G N 1.376 110.214 108.800 0.064 0.000 2.706 351 G HA2 0.477 4.438 3.960 0.003 0.000 0.297 351 G HA3 0.477 4.438 3.960 0.003 0.000 0.297 351 G C -1.707 173.240 174.900 0.078 0.000 1.403 351 G CA -0.467 44.697 45.100 0.106 0.000 0.954 351 G HN 0.591 nan 8.290 nan 0.000 0.500 352 D N 0.829 121.278 120.400 0.082 0.000 2.348 352 D HA 0.026 4.668 4.640 0.003 0.000 0.253 352 D C 1.054 177.333 176.300 -0.034 0.000 1.161 352 D CA -0.240 53.766 54.000 0.010 0.000 0.876 352 D CB 1.577 42.382 40.800 0.007 0.000 1.160 352 D HN 0.400 nan 8.370 nan 0.000 0.459 353 Q N 4.000 123.703 119.800 -0.160 0.000 2.167 353 Q HA -0.106 4.236 4.340 0.003 0.000 0.202 353 Q C 1.777 177.716 176.000 -0.101 0.000 0.970 353 Q CA 0.899 56.560 55.803 -0.237 0.000 0.855 353 Q CB 0.144 28.518 28.738 -0.607 0.000 0.911 353 Q HN 0.684 nan 8.270 nan 0.000 0.438 354 L N 0.024 121.197 121.223 -0.085 0.000 2.313 354 L HA -0.072 4.270 4.340 0.003 0.000 0.214 354 L C 2.033 178.854 176.870 -0.081 0.000 1.119 354 L CA 0.260 55.064 54.840 -0.060 0.000 0.809 354 L CB -0.073 41.957 42.059 -0.049 0.000 0.933 354 L HN 0.169 nan 8.230 nan 0.000 0.449 355 L N -2.056 119.099 121.223 -0.113 0.000 2.292 355 L HA -0.001 4.341 4.340 0.003 0.000 0.196 355 L C 2.034 178.762 176.870 -0.237 0.000 1.246 355 L CA 0.718 55.414 54.840 -0.240 0.000 0.864 355 L CB -0.700 41.163 42.059 -0.326 0.000 1.044 355 L HN 0.124 nan 8.230 nan 0.000 0.504 356 W N 0.290 121.530 121.300 -0.100 0.000 2.525 356 W HA -0.037 4.625 4.660 0.003 0.000 0.259 356 W C 2.080 178.563 176.519 -0.060 0.000 1.253 356 W CA 0.569 57.846 57.345 -0.113 0.000 1.262 356 W CB -0.248 29.138 29.460 -0.124 0.000 1.122 356 W HN 0.284 nan 8.180 nan 0.000 0.607 357 G N -0.908 107.983 108.800 0.152 0.000 2.985 357 G HA2 0.296 4.258 3.960 0.003 0.000 0.209 357 G HA3 0.296 4.258 3.960 0.003 0.000 0.209 357 G C 0.848 175.792 174.900 0.075 0.000 1.165 357 G CA 0.807 45.974 45.100 0.111 0.000 0.776 357 G HN 0.246 nan 8.290 nan 0.000 0.541 358 A N -0.440 122.403 122.820 0.038 0.000 1.691 358 A HA 0.675 4.997 4.320 0.003 0.000 0.137 358 A C 2.070 179.653 177.584 -0.002 0.000 1.444 358 A CA 1.216 53.269 52.037 0.026 0.000 1.955 358 A CB -0.959 18.051 19.000 0.016 0.000 1.909 358 A HN 0.631 nan 8.150 nan 0.000 1.201 359 A N -0.186 122.608 122.820 -0.042 0.000 1.929 359 A HA 0.018 4.339 4.320 0.003 0.000 0.216 359 A C 1.762 179.275 177.584 -0.118 0.000 1.176 359 A CA 2.306 54.307 52.037 -0.060 0.000 0.628 359 A CB -0.476 18.488 19.000 -0.061 0.000 0.816 359 A HN 0.543 nan 8.150 nan 0.000 0.444 360 E N 0.179 120.242 120.200 -0.228 0.000 2.051 360 E HA -0.106 4.246 4.350 0.003 0.000 0.192 360 E C -0.709 175.771 176.600 -0.201 0.000 0.991 360 E CA 1.872 58.044 56.400 -0.380 0.000 0.799 360 E CB -0.940 28.202 29.700 -0.929 0.000 0.748 360 E HN 0.427 nan 8.360 nan 0.000 0.449 361 P HA -0.130 nan 4.420 nan 0.000 0.218 361 P C 1.252 178.559 177.300 0.012 0.000 1.148 361 P CA 0.966 64.105 63.100 0.066 0.000 0.822 361 P CB 0.113 31.883 31.700 0.117 0.000 0.784 362 V N -0.122 119.788 119.914 -0.007 0.000 2.323 362 V HA -0.193 3.929 4.120 0.003 0.000 0.244 362 V C 2.643 178.711 176.094 -0.043 0.000 1.041 362 V CA 1.613 63.907 62.300 -0.010 0.000 1.025 362 V CB -0.945 30.881 31.823 0.004 0.000 0.656 362 V HN 0.064 nan 8.190 nan 0.000 0.451 363 R N 0.123 120.585 120.500 -0.065 0.000 2.091 363 R HA -0.168 4.174 4.340 0.003 0.000 0.238 363 R C 2.527 178.773 176.300 -0.090 0.000 1.136 363 R CA 1.653 57.702 56.100 -0.085 0.000 0.959 363 R CB -0.152 30.075 30.300 -0.122 0.000 0.856 363 R HN 0.446 nan 8.270 nan 0.000 0.437 364 R N -0.033 120.419 120.500 -0.081 0.000 2.075 364 R HA -0.120 4.221 4.340 0.003 0.000 0.232 364 R C 2.333 178.586 176.300 -0.078 0.000 1.126 364 R CA 1.302 57.369 56.100 -0.056 0.000 0.963 364 R CB -0.460 29.838 30.300 -0.003 0.000 0.858 364 R HN 0.217 nan 8.270 nan 0.000 0.435 365 I N 1.219 121.732 120.570 -0.094 0.000 2.315 365 I HA -0.202 3.970 4.170 0.003 0.000 0.248 365 I C 1.991 177.977 176.117 -0.219 0.000 1.117 365 I CA 1.134 62.326 61.300 -0.179 0.000 1.404 365 I CB -0.194 37.687 38.000 -0.197 0.000 1.071 365 I HN 0.136 nan 8.210 nan 0.000 0.419 366 L N 0.344 121.472 121.223 -0.159 0.000 2.017 366 L HA -0.277 4.065 4.340 0.003 0.000 0.208 366 L C 2.584 179.362 176.870 -0.154 0.000 1.073 366 L CA 1.951 56.695 54.840 -0.159 0.000 0.745 366 L CB -0.572 41.421 42.059 -0.109 0.000 0.894 366 L HN 0.297 nan 8.230 nan 0.000 0.432 367 K N -0.388 119.937 120.400 -0.125 0.000 2.074 367 K HA -0.278 4.044 4.320 0.003 0.000 0.209 367 K C 2.003 178.533 176.600 -0.117 0.000 1.048 367 K CA 1.948 58.172 56.287 -0.105 0.000 0.926 367 K CB -0.081 32.373 32.500 -0.077 0.000 0.713 367 K HN 0.485 nan 8.250 nan 0.000 0.444 368 Q N 0.204 119.918 119.800 -0.143 0.000 2.079 368 Q HA -0.103 4.239 4.340 0.003 0.000 0.200 368 Q C 2.245 178.117 176.000 -0.214 0.000 0.974 368 Q CA 1.362 57.068 55.803 -0.162 0.000 0.840 368 Q CB -0.030 28.599 28.738 -0.182 0.000 0.898 368 Q HN 0.367 nan 8.270 nan 0.000 0.430 369 L N 0.378 121.425 121.223 -0.293 0.000 2.201 369 L HA -0.110 4.232 4.340 0.003 0.000 0.212 369 L C 2.211 178.930 176.870 -0.251 0.000 1.105 369 L CA 0.681 55.292 54.840 -0.382 0.000 0.775 369 L CB -0.335 41.420 42.059 -0.506 0.000 0.913 369 L HN 0.204 nan 8.230 nan 0.000 0.440 370 V N -3.872 115.940 119.914 -0.170 0.000 3.650 370 V HA 0.370 4.492 4.120 0.003 0.000 0.271 370 V C 1.394 177.441 176.094 -0.079 0.000 1.281 370 V CA 0.043 62.279 62.300 -0.106 0.000 1.120 370 V CB -0.701 31.076 31.823 -0.078 0.000 0.856 370 V HN 0.158 nan 8.190 nan 0.000 0.443 371 A N 0.000 122.767 122.820 -0.088 0.000 2.254 371 A HA 0.000 4.322 4.320 0.003 0.000 0.244 371 A CA 0.000 51.999 52.037 -0.063 0.000 0.836 371 A CB 0.000 18.961 19.000 -0.065 0.000 0.831 371 A HN 0.000 nan 8.150 nan 0.000 0.486