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 2w02_1_A DATA FIRST_RESID 5 DATA SEQUENCE NHDVLSRMIS EKAALHGLLN CLIKEFAIPE GYLRYEWPDE MKGIPPGAYF DATA SEQUENCE DGADWKGIPM MIGLPDQLQL FVMVDRRDTF GSQHYLSDVY LRQAXGDWQC DATA SEQUENCE PDFEPLVARL LAACEHIAGR KNPELYEQIL QSQRLVSAIV SHNGRQRADA DATA SEQUENCE PLQHYLQSEQ GLWFGHPSHP APKARLWPAX LGQEQWAPEF QARAALHQFE DATA SEQUENCE VPVDGLHIGA NGLTPQQVLD GFADQQPASP GHAIICMHPV QAQLFMQDAR DATA SEQUENCE VQQLLRDNVI RDLGQSGRVA SPTASIRTWF IDDHDYFIKG SLNVRITNCV DATA SEQUENCE RKNAWYELES TVLIDRLFRQ LLDQHADTLG GLVAAAEPGV VSWSPAAAGE DATA SEQUENCE LDSHWFREQT GGILRENFCR RTGAERSIMA GTLFARGVDL QPMIQTFLRT DATA SEQUENCE HYGEALDDNA LLYWFDDYQT RLLRPVLSLF FNHGVVMEPH LQNSVLVHQQ DATA SEQUENCE GRPQQVLLRD FEGVKLTDDL GIRYIDDDIH PRVRQSLLYS REQGWNRIMY DATA SEQUENCE CLFINHLSET ILALSQGRPQ LAPLMWRRVQ QQLRAIQGEL KQPSPELDAL DATA SEQUENCE IAGHPVACKT NLKVRLAXXX XXXASYVRLP SPW 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 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.545 175.510 0.059 0.000 1.280 5 N CA 0.000 53.070 53.050 0.033 0.000 0.885 5 N CB 0.000 38.507 38.487 0.034 0.000 1.341 6 H N 0.616 119.671 119.070 -0.025 0.000 2.436 6 H HA 0.222 4.781 4.556 0.004 0.000 0.294 6 H C 0.855 176.162 175.328 -0.035 0.000 1.048 6 H CA 2.017 58.044 56.048 -0.036 0.000 1.353 6 H CB 0.040 29.776 29.762 -0.042 0.000 1.414 6 H HN 0.278 nan 8.280 nan 0.000 0.536 7 D N -0.406 119.927 120.400 -0.111 0.000 2.103 7 D HA -0.108 4.534 4.640 0.004 0.000 0.199 7 D C 2.349 178.573 176.300 -0.126 0.000 0.978 7 D CA 1.251 55.158 54.000 -0.154 0.000 0.829 7 D CB -0.065 40.700 40.800 -0.059 0.000 0.981 7 D HN 0.264 nan 8.370 nan 0.000 0.464 8 V N 1.450 121.322 119.914 -0.071 0.000 2.287 8 V HA -0.225 3.898 4.120 0.004 0.000 0.248 8 V C 2.569 178.621 176.094 -0.070 0.000 1.053 8 V CA 1.102 63.370 62.300 -0.053 0.000 1.027 8 V CB -0.427 31.381 31.823 -0.024 0.000 0.646 8 V HN 0.103 nan 8.190 nan 0.000 0.447 9 L N -0.043 121.135 121.223 -0.075 0.000 2.046 9 L HA -0.117 4.226 4.340 0.004 0.000 0.208 9 L C 2.581 179.384 176.870 -0.111 0.000 1.077 9 L CA 2.004 56.803 54.840 -0.069 0.000 0.747 9 L CB -0.600 41.439 42.059 -0.033 0.000 0.896 9 L HN 0.274 nan 8.230 nan 0.000 0.432 10 S N -0.770 114.807 115.700 -0.205 0.000 2.368 10 S HA -0.231 4.242 4.470 0.004 0.000 0.225 10 S C 2.051 176.565 174.600 -0.143 0.000 1.030 10 S CA 1.444 59.511 58.200 -0.222 0.000 0.999 10 S CB -0.384 62.593 63.200 -0.372 0.000 0.844 10 S HN 0.430 nan 8.310 nan 0.000 0.459 11 R N 0.939 121.360 120.500 -0.131 0.000 2.083 11 R HA -0.075 4.268 4.340 0.004 0.000 0.237 11 R C 2.311 178.539 176.300 -0.119 0.000 1.137 11 R CA 1.702 57.733 56.100 -0.115 0.000 0.951 11 R CB -0.315 29.931 30.300 -0.090 0.000 0.851 11 R HN 0.377 nan 8.270 nan 0.000 0.434 12 M N 0.004 119.550 119.600 -0.091 0.000 2.159 12 M HA -0.141 4.341 4.480 0.004 0.000 0.263 12 M C 2.260 178.509 176.300 -0.086 0.000 1.063 12 M CA 1.500 56.755 55.300 -0.076 0.000 1.110 12 M CB -0.181 32.393 32.600 -0.044 0.000 1.374 12 M HN 0.217 nan 8.290 nan 0.000 0.411 13 I N 0.023 120.550 120.570 -0.072 0.000 2.226 13 I HA -0.278 3.895 4.170 0.004 0.000 0.245 13 I C 2.743 178.832 176.117 -0.047 0.000 1.100 13 I CA 1.641 62.911 61.300 -0.049 0.000 1.374 13 I CB -0.400 37.600 38.000 0.001 0.000 1.057 13 I HN 0.369 nan 8.210 nan 0.000 0.413 14 S N 0.217 115.890 115.700 -0.045 0.000 2.383 14 S HA -0.172 4.301 4.470 0.004 0.000 0.227 14 S C 1.800 176.271 174.600 -0.214 0.000 1.026 14 S CA 1.015 59.191 58.200 -0.040 0.000 0.981 14 S CB -0.437 62.725 63.200 -0.064 0.000 0.818 14 S HN 0.468 nan 8.310 nan 0.000 0.472 15 E N 1.289 121.297 120.200 -0.319 0.000 2.106 15 E HA -0.115 4.238 4.350 0.004 0.000 0.192 15 E C 2.160 178.639 176.600 -0.200 0.000 0.984 15 E CA 1.084 57.193 56.400 -0.485 0.000 0.806 15 E CB -0.126 29.370 29.700 -0.340 0.000 0.750 15 E HN 0.629 nan 8.360 nan 0.000 0.458 16 K N 0.686 120.969 120.400 -0.195 0.000 2.025 16 K HA -0.110 4.212 4.320 0.004 0.000 0.207 16 K C 2.178 178.476 176.600 -0.504 0.000 1.049 16 K CA 1.070 57.173 56.287 -0.307 0.000 0.933 16 K CB -0.097 32.220 32.500 -0.305 0.000 0.714 16 K HN 0.062 nan 8.250 nan 0.000 0.438 17 A N 1.227 123.810 122.820 -0.395 0.000 1.883 17 A HA -0.169 4.154 4.320 0.004 0.000 0.217 17 A C 2.355 179.869 177.584 -0.115 0.000 1.186 17 A CA 2.149 53.952 52.037 -0.391 0.000 0.624 17 A CB -1.002 17.660 19.000 -0.562 0.000 0.822 17 A HN 0.497 nan 8.150 nan 0.000 0.444 18 A N -0.649 122.154 122.820 -0.028 0.000 1.908 18 A HA -0.060 4.263 4.320 0.004 0.000 0.218 18 A C 2.167 179.894 177.584 0.239 0.000 1.181 18 A CA 1.852 53.965 52.037 0.126 0.000 0.627 18 A CB -0.645 18.388 19.000 0.055 0.000 0.818 18 A HN 0.812 nan 8.150 nan 0.000 0.445 19 L N -0.497 120.886 121.223 0.266 0.000 2.056 19 L HA -0.143 4.199 4.340 0.004 0.000 0.207 19 L C 2.233 179.188 176.870 0.141 0.000 1.078 19 L CA 2.306 57.284 54.840 0.230 0.000 0.749 19 L CB -0.974 41.219 42.059 0.223 0.000 0.901 19 L HN 0.582 nan 8.230 nan 0.000 0.433 20 H N -1.085 117.965 119.070 -0.035 0.000 2.319 20 H HA -0.121 4.437 4.556 0.004 0.000 0.299 20 H C 2.046 177.407 175.328 0.055 0.000 1.092 20 H CA 0.701 56.706 56.048 -0.072 0.000 1.302 20 H CB -0.285 29.536 29.762 0.098 0.000 1.373 20 H HN 0.548 nan 8.280 nan 0.000 0.497 21 G N 0.750 109.687 108.800 0.229 0.000 2.442 21 G HA2 -0.246 3.716 3.960 0.004 0.000 0.219 21 G HA3 -0.246 3.716 3.960 0.004 0.000 0.219 21 G C 1.692 176.679 174.900 0.145 0.000 1.141 21 G CA 0.635 45.855 45.100 0.199 0.000 0.763 21 G HN 0.187 nan 8.290 nan 0.000 0.554 22 L N 0.053 121.345 121.223 0.115 0.000 2.072 22 L HA 0.227 4.569 4.340 0.004 0.000 0.205 22 L C 2.797 179.693 176.870 0.044 0.000 1.079 22 L CA 0.962 55.843 54.840 0.068 0.000 0.752 22 L CB -0.298 41.791 42.059 0.051 0.000 0.906 22 L HN 0.173 nan 8.230 nan 0.000 0.436 23 L N -0.532 120.687 121.223 -0.008 0.000 2.013 23 L HA -0.304 4.039 4.340 0.004 0.000 0.212 23 L C 2.322 179.241 176.870 0.083 0.000 1.073 23 L CA 1.455 56.266 54.840 -0.049 0.000 0.753 23 L CB -0.792 41.055 42.059 -0.354 0.000 0.890 23 L HN 0.367 nan 8.230 nan 0.000 0.432 24 N N -0.373 118.419 118.700 0.152 0.000 2.037 24 N HA -0.224 4.518 4.740 0.004 0.000 0.196 24 N C 1.812 177.401 175.510 0.133 0.000 1.034 24 N CA 1.936 55.105 53.050 0.198 0.000 0.861 24 N CB -0.853 37.762 38.487 0.213 0.000 1.039 24 N HN 0.365 nan 8.380 nan 0.000 0.427 25 C N -0.004 119.354 119.300 0.097 0.000 2.413 25 C HA -0.027 4.436 4.460 0.004 0.000 0.277 25 C C 2.730 177.790 174.990 0.117 0.000 1.265 25 C CA 0.064 59.118 59.018 0.060 0.000 1.752 25 C CB -1.261 26.495 27.740 0.026 0.000 1.998 25 C HN 0.446 nan 8.230 nan 0.000 0.489 26 L N 0.690 122.003 121.223 0.150 0.000 2.027 26 L HA -0.055 4.287 4.340 0.004 0.000 0.206 26 L C 2.238 179.238 176.870 0.216 0.000 1.074 26 L CA 1.909 56.883 54.840 0.224 0.000 0.745 26 L CB -0.431 41.703 42.059 0.125 0.000 0.898 26 L HN 0.299 nan 8.230 nan 0.000 0.433 27 I N -0.592 120.067 120.570 0.150 0.000 2.133 27 I HA -0.273 3.900 4.170 0.004 0.000 0.238 27 I C 2.387 178.562 176.117 0.097 0.000 1.074 27 I CA 1.421 62.798 61.300 0.129 0.000 1.342 27 I CB -0.438 37.643 38.000 0.134 0.000 1.053 27 I HN 0.165 nan 8.210 nan 0.000 0.404 28 K N 0.658 121.108 120.400 0.083 0.000 2.147 28 K HA -0.167 4.156 4.320 0.004 0.000 0.205 28 K C 1.730 178.304 176.600 -0.045 0.000 1.049 28 K CA 1.433 57.742 56.287 0.038 0.000 0.936 28 K CB -0.106 32.423 32.500 0.049 0.000 0.722 28 K HN 0.463 nan 8.250 nan 0.000 0.446 29 E N -1.380 118.767 120.200 -0.089 0.000 2.413 29 E HA 0.078 4.430 4.350 0.004 0.000 0.203 29 E C 1.054 177.362 176.600 -0.488 0.000 0.957 29 E CA 0.332 56.540 56.400 -0.320 0.000 0.950 29 E CB 0.349 29.792 29.700 -0.428 0.000 0.957 29 E HN 0.182 nan 8.360 nan 0.000 0.497 30 F N 0.087 120.049 119.950 0.021 0.000 2.423 30 F HA 0.290 4.819 4.527 0.004 0.000 0.269 30 F C 2.210 178.039 175.800 0.048 0.000 0.880 30 F CA 0.269 58.306 58.000 0.061 0.000 1.134 30 F CB -0.270 38.810 39.000 0.135 0.000 1.143 30 F HN -0.062 nan 8.300 nan 0.000 0.802 31 A N 1.210 124.215 122.820 0.307 0.000 1.841 31 A HA -0.167 4.155 4.320 0.004 0.000 0.216 31 A C 2.085 179.686 177.584 0.030 0.000 1.199 31 A CA 2.066 54.233 52.037 0.216 0.000 0.621 31 A CB -1.229 17.871 19.000 0.167 0.000 0.835 31 A HN 0.353 nan 8.150 nan 0.000 0.445 32 I N 0.544 121.125 120.570 0.019 0.000 2.076 32 I HA -0.189 3.984 4.170 0.004 0.000 0.237 32 I C -0.210 175.862 176.117 -0.074 0.000 1.059 32 I CA 1.899 63.186 61.300 -0.022 0.000 1.317 32 I CB -1.402 36.604 38.000 0.010 0.000 1.037 32 I HN 0.296 nan 8.210 nan 0.000 0.398 33 P HA -0.177 nan 4.420 nan 0.000 0.216 33 P C 1.010 178.212 177.300 -0.163 0.000 1.150 33 P CA 1.692 64.726 63.100 -0.111 0.000 0.837 33 P CB -0.152 31.479 31.700 -0.114 0.000 0.786 34 E N -1.274 118.773 120.200 -0.255 0.000 2.442 34 E HA 0.204 4.557 4.350 0.004 0.000 0.195 34 E C 0.891 177.139 176.600 -0.587 0.000 1.030 34 E CA 0.446 56.585 56.400 -0.435 0.000 0.869 34 E CB -0.216 29.159 29.700 -0.541 0.000 0.857 34 E HN 0.246 nan 8.360 nan 0.000 0.505 35 G N 1.447 109.996 108.800 -0.418 0.000 2.255 35 G HA2 -0.251 3.712 3.960 0.004 0.000 0.239 35 G HA3 -0.251 3.712 3.960 0.004 0.000 0.239 35 G C 0.026 174.840 174.900 -0.143 0.000 1.083 35 G CA -0.062 44.901 45.100 -0.230 0.000 0.826 35 G HN 0.213 nan 8.290 nan 0.000 0.493 36 Y N -1.047 119.257 120.300 0.006 0.000 2.449 36 Y HA 0.455 5.008 4.550 0.004 0.000 0.254 36 Y C 1.707 177.587 175.900 -0.033 0.000 1.140 36 Y CA -0.728 57.371 58.100 -0.002 0.000 1.272 36 Y CB 0.325 38.795 38.460 0.016 0.000 1.114 36 Y HN 0.434 nan 8.280 nan 0.000 0.525 37 L N 1.725 122.980 121.223 0.054 0.000 2.292 37 L HA 0.477 4.819 4.340 0.004 0.000 0.284 37 L C -0.409 176.370 176.870 -0.151 0.000 1.065 37 L CA -0.248 54.545 54.840 -0.079 0.000 0.806 37 L CB 0.607 42.587 42.059 -0.133 0.000 1.175 37 L HN 0.023 nan 8.230 nan 0.000 0.431 38 R N 3.724 124.088 120.500 -0.226 0.000 2.673 38 R HA 0.311 4.653 4.340 0.004 0.000 0.281 38 R C -1.702 174.371 176.300 -0.379 0.000 0.991 38 R CA -0.681 55.291 56.100 -0.213 0.000 0.896 38 R CB 1.787 32.047 30.300 -0.065 0.000 1.201 38 R HN 0.458 nan 8.270 nan 0.000 0.457 39 Y N 1.617 121.877 120.300 -0.067 0.000 2.691 39 Y HA 0.270 4.823 4.550 0.004 0.000 0.338 39 Y C 0.046 175.850 175.900 -0.160 0.000 1.148 39 Y CA -0.042 57.978 58.100 -0.133 0.000 1.430 39 Y CB 0.580 38.968 38.460 -0.120 0.000 1.303 39 Y HN 0.354 nan 8.280 nan 0.000 0.499 40 E N 1.034 121.158 120.200 -0.126 0.000 2.392 40 E HA 0.228 4.581 4.350 0.004 0.000 0.279 40 E C -1.669 174.816 176.600 -0.192 0.000 0.964 40 E CA -1.045 55.286 56.400 -0.115 0.000 0.777 40 E CB 1.674 31.372 29.700 -0.004 0.000 1.249 40 E HN 0.404 nan 8.360 nan 0.000 0.449 41 W N 3.297 124.557 121.300 -0.066 0.000 2.287 41 W HA 0.280 4.944 4.660 0.006 0.000 0.313 41 W C -1.775 174.679 176.519 -0.109 0.000 1.267 41 W CA -1.382 55.874 57.345 -0.149 0.000 1.201 41 W CB 0.043 29.333 29.460 -0.285 0.000 1.196 41 W HN 0.265 nan 8.180 nan 0.000 0.536 42 P HA -0.154 nan 4.420 nan 0.000 0.267 42 P C 0.554 177.905 177.300 0.086 0.000 1.195 42 P CA 0.443 63.622 63.100 0.132 0.000 0.773 42 P CB 1.044 32.862 31.700 0.197 0.000 0.837 43 D N 0.270 120.723 120.400 0.087 0.000 2.084 43 D HA -0.130 4.512 4.640 0.004 0.000 0.196 43 D C 0.565 176.881 176.300 0.025 0.000 0.985 43 D CA 1.574 55.598 54.000 0.041 0.000 0.826 43 D CB 0.270 41.089 40.800 0.032 0.000 0.978 43 D HN 0.502 nan 8.370 nan 0.000 0.456 44 E N -0.070 120.169 120.200 0.065 0.000 2.166 44 E HA 0.143 4.496 4.350 0.004 0.000 0.275 44 E C 0.435 177.131 176.600 0.159 0.000 0.941 44 E CA -0.200 56.239 56.400 0.066 0.000 0.784 44 E CB 1.097 30.822 29.700 0.042 0.000 1.115 44 E HN -0.172 nan 8.360 nan 0.000 0.399 45 M N 2.584 122.213 119.600 0.048 0.000 2.333 45 M HA 0.150 4.632 4.480 0.004 0.000 0.257 45 M C 0.258 176.625 176.300 0.112 0.000 1.078 45 M CA -0.072 55.205 55.300 -0.040 0.000 1.005 45 M CB -0.345 32.084 32.600 -0.285 0.000 1.444 45 M HN 0.408 nan 8.290 nan 0.000 0.496 46 K N 1.437 121.926 120.400 0.149 0.000 2.473 46 K HA 0.117 4.440 4.320 0.004 0.000 0.277 46 K C 1.084 177.816 176.600 0.221 0.000 1.052 46 K CA 1.378 57.745 56.287 0.133 0.000 1.114 46 K CB 0.162 32.709 32.500 0.079 0.000 0.869 46 K HN 0.493 nan 8.250 nan 0.000 0.481 47 G N 3.806 112.715 108.800 0.182 0.000 2.339 47 G HA2 -0.211 3.752 3.960 0.004 0.000 0.209 47 G HA3 -0.211 3.752 3.960 0.004 0.000 0.209 47 G C 0.084 175.111 174.900 0.212 0.000 1.015 47 G CA -0.160 45.087 45.100 0.246 0.000 0.635 47 G HN 0.575 nan 8.290 nan 0.000 0.499 48 I N 4.309 124.889 120.570 0.017 0.000 2.325 48 I HA 0.359 4.531 4.170 0.004 0.000 0.291 48 I C -1.623 174.499 176.117 0.009 0.000 1.019 48 I CA -2.052 59.081 61.300 -0.277 0.000 1.302 48 I CB 1.354 38.973 38.000 -0.635 0.000 1.401 48 I HN -0.001 nan 8.210 nan 0.000 0.485 49 P HA 0.229 nan 4.420 nan 0.000 0.274 49 P C -2.341 174.975 177.300 0.026 0.000 1.231 49 P CA -1.584 61.570 63.100 0.090 0.000 0.790 49 P CB 0.411 32.182 31.700 0.118 0.000 0.951 50 P HA -0.167 nan 4.420 nan 0.000 0.216 50 P C 1.678 178.777 177.300 -0.335 0.000 1.153 50 P CA 2.063 64.976 63.100 -0.311 0.000 0.858 50 P CB -0.510 31.165 31.700 -0.041 0.000 0.789 51 G N -0.221 108.526 108.800 -0.088 0.000 2.479 51 G HA2 -0.229 3.733 3.960 0.004 0.000 0.220 51 G HA3 -0.229 3.733 3.960 0.004 0.000 0.220 51 G C 1.618 176.531 174.900 0.022 0.000 1.115 51 G CA 0.830 45.909 45.100 -0.035 0.000 0.757 51 G HN 0.341 nan 8.290 nan 0.000 0.560 52 A N 0.591 123.452 122.820 0.068 0.000 1.908 52 A HA -0.008 4.314 4.320 0.004 0.000 0.218 52 A C 2.104 179.883 177.584 0.326 0.000 1.181 52 A CA 1.843 54.021 52.037 0.235 0.000 0.627 52 A CB -0.487 18.674 19.000 0.269 0.000 0.818 52 A HN 0.847 nan 8.150 nan 0.000 0.445 53 Y N -5.305 115.193 120.300 0.330 0.000 2.453 53 Y HA 0.617 5.170 4.550 0.005 0.000 0.247 53 Y C 0.158 176.435 175.900 0.628 0.000 1.124 53 Y CA -1.433 56.961 58.100 0.490 0.000 1.243 53 Y CB 0.122 38.969 38.460 0.645 0.000 1.213 53 Y HN 0.111 nan 8.280 nan 0.000 0.523 54 F N 3.772 123.730 119.950 0.014 0.000 2.539 54 F HA 0.409 4.937 4.527 0.002 0.000 0.328 54 F C -0.104 175.688 175.800 -0.014 0.000 1.148 54 F CA -2.079 55.956 58.000 0.059 0.000 0.940 54 F CB 1.343 40.294 39.000 -0.083 0.000 1.194 54 F HN 0.097 nan 8.300 nan 0.000 0.438 55 D N 2.643 122.753 120.400 -0.484 0.000 2.328 55 D HA 0.264 4.907 4.640 0.004 0.000 0.221 55 D C 1.518 177.420 176.300 -0.662 0.000 1.072 55 D CA 0.677 54.414 54.000 -0.438 0.000 0.850 55 D CB 0.301 40.992 40.800 -0.183 0.000 0.922 55 D HN 0.953 nan 8.370 nan 0.000 0.516 56 G N -0.676 107.278 108.800 -1.410 0.000 2.238 56 G HA2 -0.195 3.767 3.960 0.004 0.000 0.217 56 G HA3 -0.195 3.767 3.960 0.004 0.000 0.217 56 G C 0.977 175.568 174.900 -0.516 0.000 0.996 56 G CA 0.162 44.694 45.100 -0.947 0.000 0.632 56 G HN 0.846 nan 8.290 nan 0.000 0.503 57 A N -0.993 121.579 122.820 -0.413 0.000 1.977 57 A HA 0.621 4.944 4.320 0.004 0.000 0.197 57 A C 0.420 177.987 177.584 -0.028 0.000 1.554 57 A CA 1.851 53.820 52.037 -0.113 0.000 1.037 57 A CB 0.739 19.675 19.000 -0.106 0.000 1.083 57 A HN 0.851 nan 8.150 nan 0.000 0.471 58 D N -3.193 117.180 120.400 -0.044 0.000 2.671 58 D HA 0.393 5.036 4.640 0.004 0.000 0.273 58 D C -1.391 174.954 176.300 0.075 0.000 1.264 58 D CA -0.654 53.290 54.000 -0.093 0.000 0.788 58 D CB 0.268 41.042 40.800 -0.042 0.000 1.324 58 D HN 0.244 nan 8.370 nan 0.000 0.424 59 W N 1.266 122.787 121.300 0.369 0.000 2.274 59 W HA 0.162 4.824 4.660 0.003 0.000 0.345 59 W C 0.724 177.422 176.519 0.299 0.000 1.265 59 W CA -0.358 57.260 57.345 0.454 0.000 1.293 59 W CB 0.345 30.161 29.460 0.593 0.000 1.175 59 W HN 0.079 nan 8.180 nan 0.000 0.577 60 K N 3.576 124.302 120.400 0.542 0.000 2.155 60 K HA 0.300 4.623 4.320 0.004 0.000 0.240 60 K C 0.844 177.597 176.600 0.254 0.000 1.193 60 K CA 0.528 56.996 56.287 0.301 0.000 1.104 60 K CB -0.292 32.353 32.500 0.242 0.000 1.558 60 K HN 0.762 nan 8.250 nan 0.000 0.313 61 G N 1.958 110.899 108.800 0.235 0.000 2.554 61 G HA2 -0.283 3.680 3.960 0.004 0.000 0.253 61 G HA3 -0.283 3.680 3.960 0.004 0.000 0.253 61 G C -0.414 174.578 174.900 0.154 0.000 1.172 61 G CA -0.602 44.589 45.100 0.152 0.000 0.950 61 G HN 0.402 nan 8.290 nan 0.000 0.557 62 I N 2.972 123.556 120.570 0.024 0.000 2.533 62 I HA 0.432 4.605 4.170 0.004 0.000 0.290 62 I C -2.241 173.733 176.117 -0.238 0.000 1.056 62 I CA -2.173 59.075 61.300 -0.087 0.000 1.057 62 I CB 2.832 40.782 38.000 -0.083 0.000 1.240 62 I HN 0.332 nan 8.210 nan 0.000 0.423 63 P HA 0.079 nan 4.420 nan 0.000 0.271 63 P C -1.052 176.039 177.300 -0.347 0.000 1.220 63 P CA -0.159 62.526 63.100 -0.691 0.000 0.768 63 P CB 0.923 31.850 31.700 -1.289 0.000 0.848 64 M N 5.015 124.381 119.600 -0.390 0.000 2.181 64 M HA 0.470 4.952 4.480 0.004 0.000 0.323 64 M C -1.353 174.793 176.300 -0.258 0.000 1.004 64 M CA -0.812 54.307 55.300 -0.301 0.000 0.941 64 M CB 1.341 33.819 32.600 -0.203 0.000 1.579 64 M HN 0.275 nan 8.290 nan 0.000 0.427 65 M N 5.798 125.292 119.600 -0.178 0.000 2.253 65 M HA 0.552 5.035 4.480 0.004 0.000 0.314 65 M C -1.816 174.474 176.300 -0.017 0.000 1.019 65 M CA -0.534 54.758 55.300 -0.013 0.000 0.932 65 M CB 1.739 34.375 32.600 0.060 0.000 1.606 65 M HN 0.730 nan 8.290 nan 0.000 0.430 66 I N 3.553 124.155 120.570 0.053 0.000 2.382 66 I HA 0.396 4.568 4.170 0.004 0.000 0.285 66 I C 0.333 176.484 176.117 0.056 0.000 1.007 66 I CA -0.548 60.785 61.300 0.054 0.000 1.142 66 I CB 1.837 39.868 38.000 0.051 0.000 1.289 66 I HN 0.801 nan 8.210 nan 0.000 0.453 67 G N 7.703 116.526 108.800 0.040 0.000 2.475 67 G HA2 0.586 4.548 3.960 0.004 0.000 0.322 67 G HA3 0.586 4.548 3.960 0.004 0.000 0.322 67 G C -0.435 174.327 174.900 -0.229 0.000 1.044 67 G CA -0.351 44.730 45.100 -0.031 0.000 1.047 67 G HN 0.409 nan 8.290 nan 0.000 0.436 68 L N 4.045 125.099 121.223 -0.281 0.000 2.350 68 L HA 0.304 4.647 4.340 0.004 0.000 0.275 68 L C -0.862 175.762 176.870 -0.410 0.000 1.099 68 L CA -1.952 52.587 54.840 -0.501 0.000 0.808 68 L CB 2.113 43.981 42.059 -0.319 0.000 1.149 68 L HN 0.323 nan 8.230 nan 0.000 0.442 69 P HA -0.164 nan 4.420 nan 0.000 0.226 69 P C 0.300 177.497 177.300 -0.171 0.000 1.146 69 P CA 0.963 63.911 63.100 -0.255 0.000 0.773 69 P CB -0.025 31.567 31.700 -0.181 0.000 0.772 70 D N -1.029 119.271 120.400 -0.168 0.000 2.325 70 D HA -0.041 4.602 4.640 0.004 0.000 0.225 70 D C 0.672 176.898 176.300 -0.122 0.000 1.096 70 D CA -0.290 53.626 54.000 -0.141 0.000 0.844 70 D CB -0.576 40.172 40.800 -0.086 0.000 0.925 70 D HN 0.120 nan 8.370 nan 0.000 0.513 71 Q N -1.401 118.322 119.800 -0.128 0.000 2.424 71 Q HA -0.213 4.130 4.340 0.004 0.000 0.234 71 Q C -0.527 175.404 176.000 -0.114 0.000 0.748 71 Q CA 0.295 56.030 55.803 -0.114 0.000 1.286 71 Q CB -1.544 27.132 28.738 -0.104 0.000 1.494 71 Q HN 0.374 nan 8.270 nan 0.000 0.683 72 L N 2.137 123.295 121.223 -0.108 0.000 2.315 72 L HA 0.179 4.522 4.340 0.004 0.000 0.283 72 L C 0.088 176.921 176.870 -0.063 0.000 1.089 72 L CA 0.707 55.494 54.840 -0.088 0.000 0.833 72 L CB 0.868 42.885 42.059 -0.072 0.000 1.170 72 L HN -0.002 nan 8.230 nan 0.000 0.442 73 Q N 5.188 124.966 119.800 -0.036 0.000 2.274 73 Q HA 0.541 4.883 4.340 0.004 0.000 0.260 73 Q C -1.110 175.063 176.000 0.288 0.000 0.974 73 Q CA -0.655 55.202 55.803 0.090 0.000 0.876 73 Q CB 2.728 31.515 28.738 0.082 0.000 1.297 73 Q HN 0.658 nan 8.270 nan 0.000 0.446 74 L N 2.751 124.162 121.223 0.314 0.000 2.334 74 L HA 0.658 5.000 4.340 0.004 0.000 0.276 74 L C -1.650 175.426 176.870 0.344 0.000 1.014 74 L CA -0.881 54.159 54.840 0.333 0.000 0.815 74 L CB 1.074 43.216 42.059 0.139 0.000 1.268 74 L HN 0.675 nan 8.230 nan 0.000 0.428 75 F N 5.624 125.626 119.950 0.087 0.000 2.518 75 F HA 0.718 5.248 4.527 0.005 0.000 0.323 75 F C -1.550 174.222 175.800 -0.046 0.000 1.129 75 F CA -0.514 57.378 58.000 -0.180 0.000 0.920 75 F CB 1.748 40.281 39.000 -0.779 0.000 1.160 75 F HN 0.245 nan 8.300 nan 0.000 0.440 76 V N 7.284 126.665 119.914 -0.889 0.000 2.971 76 V HA 0.511 4.634 4.120 0.004 0.000 0.309 76 V C -1.185 174.416 176.094 -0.822 0.000 1.130 76 V CA -0.888 61.027 62.300 -0.642 0.000 0.964 76 V CB 2.314 34.035 31.823 -0.171 0.000 1.029 76 V HN 0.750 nan 8.190 nan 0.000 0.427 77 M N 5.569 124.882 119.600 -0.478 0.000 2.216 77 M HA 0.530 5.012 4.480 0.004 0.000 0.356 77 M C -0.290 175.965 176.300 -0.075 0.000 1.205 77 M CA -0.117 55.038 55.300 -0.241 0.000 1.122 77 M CB 0.896 33.492 32.600 -0.006 0.000 1.571 77 M HN 0.678 nan 8.290 nan 0.000 0.464 78 V N 0.573 120.450 119.914 -0.062 0.000 3.074 78 V HA 0.604 4.727 4.120 0.004 0.000 0.314 78 V C 0.331 176.408 176.094 -0.028 0.000 1.117 78 V CA -0.815 61.458 62.300 -0.045 0.000 1.014 78 V CB 2.049 33.851 31.823 -0.035 0.000 1.057 78 V HN 0.852 nan 8.190 nan 0.000 0.438 79 D N 0.524 120.902 120.400 -0.036 0.000 2.350 79 D HA 0.093 4.736 4.640 0.004 0.000 0.213 79 D C 0.533 176.814 176.300 -0.031 0.000 1.031 79 D CA 0.299 54.298 54.000 -0.002 0.000 0.861 79 D CB 0.339 41.166 40.800 0.045 0.000 0.926 79 D HN 0.905 nan 8.370 nan 0.000 0.520 80 R N -1.466 118.988 120.500 -0.077 0.000 2.709 80 R HA 0.430 4.773 4.340 0.004 0.000 0.270 80 R C -1.487 174.685 176.300 -0.212 0.000 1.038 80 R CA -0.916 55.111 56.100 -0.120 0.000 0.872 80 R CB 0.830 31.084 30.300 -0.077 0.000 1.259 80 R HN -0.252 nan 8.270 nan 0.000 0.473 81 R N 1.199 121.498 120.500 -0.335 0.000 2.202 81 R HA 0.255 4.597 4.340 0.004 0.000 0.334 81 R C -1.211 174.970 176.300 -0.198 0.000 1.036 81 R CA -0.423 55.363 56.100 -0.524 0.000 0.878 81 R CB 0.994 30.884 30.300 -0.682 0.000 1.067 81 R HN 0.548 nan 8.270 nan 0.000 0.457 82 D N 0.431 120.800 120.400 -0.051 0.000 2.646 82 D HA 0.113 4.756 4.640 0.004 0.000 0.245 82 D C 0.856 177.156 176.300 0.001 0.000 1.099 82 D CA -0.449 53.537 54.000 -0.024 0.000 0.849 82 D CB 1.698 42.514 40.800 0.027 0.000 1.448 82 D HN 0.464 nan 8.370 nan 0.000 0.489 83 T N 0.348 114.823 114.554 -0.132 0.000 3.043 83 T HA -0.017 4.336 4.350 0.004 0.000 0.263 83 T C 1.305 176.055 174.700 0.082 0.000 1.094 83 T CA 0.453 62.482 62.100 -0.118 0.000 1.127 83 T CB -0.145 68.524 68.868 -0.332 0.000 0.905 83 T HN 0.273 nan 8.240 nan 0.000 0.490 84 F N 2.076 121.994 119.950 -0.054 0.000 2.797 84 F HA 0.476 5.005 4.527 0.004 0.000 0.302 84 F C 2.047 177.870 175.800 0.038 0.000 1.130 84 F CA -1.088 56.907 58.000 -0.008 0.000 1.387 84 F CB -0.830 38.195 39.000 0.043 0.000 1.107 84 F HN 0.422 nan 8.300 nan 0.000 0.577 85 G N 0.458 109.385 108.800 0.212 0.000 2.179 85 G HA2 -0.276 3.686 3.960 0.004 0.000 0.257 85 G HA3 -0.276 3.686 3.960 0.004 0.000 0.257 85 G C 0.306 175.277 174.900 0.120 0.000 1.010 85 G CA 0.415 45.605 45.100 0.151 0.000 0.736 85 G HN 0.274 nan 8.290 nan 0.000 0.513 86 S N 1.347 117.124 115.700 0.128 0.000 2.430 86 S HA 0.642 5.114 4.470 0.004 0.000 0.289 86 S C 0.107 174.653 174.600 -0.090 0.000 1.143 86 S CA 0.017 58.242 58.200 0.041 0.000 1.067 86 S CB 1.340 64.626 63.200 0.143 0.000 0.964 86 S HN 0.880 nan 8.310 nan 0.000 0.485 87 Q N 2.820 122.448 119.800 -0.286 0.000 2.647 87 Q HA 0.266 4.608 4.340 0.004 0.000 0.283 87 Q C -1.778 173.805 176.000 -0.696 0.000 0.943 87 Q CA -0.863 54.699 55.803 -0.403 0.000 0.813 87 Q CB 0.621 29.186 28.738 -0.288 0.000 1.477 87 Q HN 0.583 nan 8.270 nan 0.000 0.393 88 H N 1.375 120.225 119.070 -0.367 0.000 2.580 88 H HA 0.319 4.877 4.556 0.004 0.000 0.322 88 H C -0.737 174.321 175.328 -0.450 0.000 1.082 88 H CA -0.016 55.813 56.048 -0.365 0.000 1.383 88 H CB 0.388 30.065 29.762 -0.142 0.000 1.450 88 H HN 0.433 nan 8.280 nan 0.000 0.505 89 Y N 2.581 122.818 120.300 -0.105 0.000 2.393 89 Y HA 0.074 4.626 4.550 0.004 0.000 0.338 89 Y C 1.224 177.119 175.900 -0.008 0.000 1.029 89 Y CA -0.416 57.590 58.100 -0.158 0.000 1.239 89 Y CB 0.628 38.822 38.460 -0.444 0.000 1.170 89 Y HN 0.464 nan 8.280 nan 0.000 0.515 90 L N 2.824 124.130 121.223 0.140 0.000 2.728 90 L HA 0.238 4.581 4.340 0.004 0.000 0.238 90 L C 0.187 177.150 176.870 0.155 0.000 1.143 90 L CA -0.053 54.865 54.840 0.130 0.000 0.937 90 L CB -0.119 41.998 42.059 0.096 0.000 1.225 90 L HN 0.661 nan 8.230 nan 0.000 0.507 91 S N -3.179 112.627 115.700 0.178 0.000 2.596 91 S HA 0.426 4.899 4.470 0.004 0.000 0.270 91 S C -1.061 173.676 174.600 0.228 0.000 1.155 91 S CA -1.089 57.239 58.200 0.214 0.000 0.827 91 S CB 2.023 65.363 63.200 0.234 0.000 1.130 91 S HN -0.084 nan 8.310 nan 0.000 0.467 92 D N 0.835 121.392 120.400 0.261 0.000 2.362 92 D HA 0.299 4.942 4.640 0.004 0.000 0.238 92 D C 0.022 176.437 176.300 0.192 0.000 1.212 92 D CA -0.015 54.095 54.000 0.183 0.000 0.902 92 D CB 0.637 41.502 40.800 0.108 0.000 1.180 92 D HN 0.413 nan 8.370 nan 0.000 0.445 93 V N 1.674 121.614 119.914 0.044 0.000 2.498 93 V HA 0.129 4.252 4.120 0.004 0.000 0.279 93 V C -0.407 175.685 176.094 -0.002 0.000 1.048 93 V CA -0.284 62.052 62.300 0.060 0.000 0.967 93 V CB 0.160 31.982 31.823 -0.002 0.000 0.988 93 V HN 0.341 nan 8.190 nan 0.000 0.473 94 Y N 4.635 125.051 120.300 0.193 0.000 2.387 94 Y HA 0.666 5.218 4.550 0.004 0.000 0.336 94 Y C 0.115 176.300 175.900 0.474 0.000 1.067 94 Y CA -0.676 57.614 58.100 0.316 0.000 1.114 94 Y CB 1.651 40.274 38.460 0.272 0.000 1.208 94 Y HN 0.394 nan 8.280 nan 0.000 0.458 95 L N 3.749 125.295 121.223 0.538 0.000 2.342 95 L HA 0.730 5.073 4.340 0.004 0.000 0.271 95 L C -0.517 176.494 176.870 0.236 0.000 1.008 95 L CA -1.007 54.067 54.840 0.389 0.000 0.818 95 L CB 2.426 44.573 42.059 0.146 0.000 1.296 95 L HN 0.589 nan 8.230 nan 0.000 0.427 96 R N 1.110 121.539 120.500 -0.119 0.000 2.707 96 R HA 0.514 4.857 4.340 0.004 0.000 0.272 96 R C -1.250 174.865 176.300 -0.309 0.000 1.011 96 R CA -0.302 55.525 56.100 -0.455 0.000 0.893 96 R CB 2.593 32.088 30.300 -1.341 0.000 1.233 96 R HN 0.776 nan 8.270 nan 0.000 0.464 97 Q N 1.315 120.963 119.800 -0.254 0.000 3.158 97 Q HA 0.641 4.984 4.340 0.004 0.000 0.235 97 Q C -0.277 175.615 176.000 -0.180 0.000 1.110 97 Q CA -0.463 55.232 55.803 -0.180 0.000 0.546 97 Q CB 0.437 29.103 28.738 -0.120 0.000 4.477 97 Q HN 0.782 nan 8.270 nan 0.000 0.307 101 D N -0.593 119.658 120.400 -0.249 0.000 5.896 101 D HA -0.083 4.560 4.640 0.004 0.000 0.234 101 D C -0.641 175.580 176.300 -0.133 0.000 1.700 101 D CA 0.761 54.678 54.000 -0.137 0.000 1.455 101 D CB -0.748 40.031 40.800 -0.035 0.000 0.624 101 D HN 0.517 nan 8.370 nan 0.000 0.340 102 W N 2.062 123.395 121.300 0.055 0.000 2.181 102 W HA 0.360 5.022 4.660 0.003 0.000 0.335 102 W C 1.161 177.808 176.519 0.213 0.000 1.310 102 W CA -0.035 57.393 57.345 0.138 0.000 1.226 102 W CB 0.533 30.062 29.460 0.116 0.000 1.155 102 W HN 0.199 nan 8.180 nan 0.000 0.565 103 Q N 1.936 122.032 119.800 0.493 0.000 2.423 103 Q HA 0.439 4.782 4.340 0.004 0.000 0.278 103 Q C -1.335 174.743 176.000 0.129 0.000 1.097 103 Q CA -1.021 54.954 55.803 0.287 0.000 0.809 103 Q CB 2.433 31.252 28.738 0.136 0.000 1.391 103 Q HN 0.477 nan 8.270 nan 0.000 0.428 104 C N 3.243 122.507 119.300 -0.060 0.000 2.242 104 C HA 0.578 5.041 4.460 0.004 0.000 0.317 104 C C -2.255 172.673 174.990 -0.104 0.000 1.087 104 C CA -1.726 57.104 59.018 -0.313 0.000 1.535 104 C CB -0.913 26.521 27.740 -0.510 0.000 1.893 104 C HN 0.607 nan 8.230 nan 0.000 0.426 105 P HA 0.290 nan 4.420 nan 0.000 0.274 105 P C -0.182 177.114 177.300 -0.008 0.000 1.246 105 P CA -0.035 63.053 63.100 -0.020 0.000 0.795 105 P CB 0.630 32.318 31.700 -0.020 0.000 1.006 106 D N -0.144 120.269 120.400 0.022 0.000 2.354 106 D HA -0.063 4.579 4.640 0.004 0.000 0.238 106 D C 1.040 177.392 176.300 0.087 0.000 1.250 106 D CA -0.105 53.934 54.000 0.064 0.000 0.911 106 D CB 0.085 40.928 40.800 0.073 0.000 1.163 106 D HN 0.291 nan 8.370 nan 0.000 0.456 107 F N 0.846 120.798 119.950 0.003 0.000 2.065 107 F HA -0.225 4.304 4.527 0.004 0.000 0.298 107 F C 2.103 177.923 175.800 0.034 0.000 1.112 107 F CA 1.789 59.793 58.000 0.007 0.000 1.212 107 F CB 0.031 39.030 39.000 -0.001 0.000 0.975 107 F HN 0.368 nan 8.300 nan 0.000 0.476 108 E N 0.033 120.278 120.200 0.076 0.000 2.031 108 E HA -0.192 4.160 4.350 0.004 0.000 0.193 108 E C -0.231 176.379 176.600 0.016 0.000 0.994 108 E CA 1.642 58.069 56.400 0.045 0.000 0.800 108 E CB -1.522 28.279 29.700 0.168 0.000 0.752 108 E HN 0.376 nan 8.360 nan 0.000 0.447 109 P HA -0.141 nan 4.420 nan 0.000 0.218 109 P C 1.538 178.798 177.300 -0.067 0.000 1.149 109 P CA 0.899 63.985 63.100 -0.022 0.000 0.817 109 P CB 0.014 31.709 31.700 -0.008 0.000 0.785 110 L N -0.881 120.279 121.223 -0.105 0.000 2.005 110 L HA -0.138 4.205 4.340 0.004 0.000 0.207 110 L C 2.219 178.990 176.870 -0.164 0.000 1.072 110 L CA 1.422 56.186 54.840 -0.127 0.000 0.744 110 L CB -0.801 41.179 42.059 -0.132 0.000 0.895 110 L HN -0.199 nan 8.230 nan 0.000 0.433 111 V N 0.369 120.116 119.914 -0.280 0.000 2.252 111 V HA -0.396 3.727 4.120 0.004 0.000 0.249 111 V C 2.794 178.855 176.094 -0.055 0.000 1.056 111 V CA 1.989 64.156 62.300 -0.221 0.000 1.022 111 V CB -1.088 30.502 31.823 -0.388 0.000 0.641 111 V HN 0.634 nan 8.190 nan 0.000 0.445 112 A N -0.612 122.202 122.820 -0.010 0.000 1.908 112 A HA -0.303 4.020 4.320 0.004 0.000 0.218 112 A C 2.368 179.847 177.584 -0.175 0.000 1.181 112 A CA 2.354 54.286 52.037 -0.175 0.000 0.627 112 A CB -0.573 18.238 19.000 -0.314 0.000 0.818 112 A HN 0.505 nan 8.150 nan 0.000 0.445 113 R N -1.482 118.940 120.500 -0.130 0.000 2.073 113 R HA -0.016 4.327 4.340 0.004 0.000 0.229 113 R C 1.998 178.230 176.300 -0.114 0.000 1.120 113 R CA 1.137 57.168 56.100 -0.114 0.000 0.967 113 R CB -0.317 29.934 30.300 -0.081 0.000 0.862 113 R HN 0.428 nan 8.270 nan 0.000 0.436 114 L N 0.411 121.572 121.223 -0.103 0.000 2.056 114 L HA -0.107 4.236 4.340 0.004 0.000 0.207 114 L C 1.959 178.756 176.870 -0.122 0.000 1.078 114 L CA 1.344 56.125 54.840 -0.099 0.000 0.749 114 L CB -0.503 41.506 42.059 -0.083 0.000 0.901 114 L HN 0.223 nan 8.230 nan 0.000 0.433 115 L N -0.586 120.570 121.223 -0.111 0.000 2.093 115 L HA -0.017 4.326 4.340 0.004 0.000 0.208 115 L C 2.395 179.151 176.870 -0.190 0.000 1.085 115 L CA 1.930 56.703 54.840 -0.112 0.000 0.755 115 L CB -0.951 41.083 42.059 -0.041 0.000 0.904 115 L HN 0.195 nan 8.230 nan 0.000 0.435 116 A N -0.521 122.160 122.820 -0.232 0.000 2.015 116 A HA 0.010 4.333 4.320 0.004 0.000 0.219 116 A C 2.425 179.767 177.584 -0.404 0.000 1.163 116 A CA 1.414 53.232 52.037 -0.364 0.000 0.646 116 A CB -0.935 17.870 19.000 -0.324 0.000 0.806 116 A HN 0.568 nan 8.150 nan 0.000 0.448 117 A N -0.824 121.855 122.820 -0.235 0.000 1.873 117 A HA -0.147 4.176 4.320 0.004 0.000 0.215 117 A C 2.259 179.677 177.584 -0.277 0.000 1.186 117 A CA 1.664 53.590 52.037 -0.185 0.000 0.616 117 A CB -1.170 17.731 19.000 -0.165 0.000 0.823 117 A HN 0.609 nan 8.150 nan 0.000 0.442 118 C N -0.500 118.589 119.300 -0.352 0.000 2.450 118 C HA -0.011 4.451 4.460 0.004 0.000 0.279 118 C C 2.517 177.305 174.990 -0.337 0.000 1.335 118 C CA 0.810 59.499 59.018 -0.548 0.000 1.749 118 C CB -1.297 26.153 27.740 -0.482 0.000 1.963 118 C HN 0.662 nan 8.230 nan 0.000 0.501 119 E N 0.142 120.190 120.200 -0.253 0.000 2.110 119 E HA -0.210 4.143 4.350 0.004 0.000 0.193 119 E C 1.645 178.163 176.600 -0.136 0.000 0.988 119 E CA 1.287 57.569 56.400 -0.196 0.000 0.804 119 E CB -0.227 29.316 29.700 -0.262 0.000 0.745 119 E HN 0.787 nan 8.360 nan 0.000 0.458 120 H N -0.053 118.937 119.070 -0.132 0.000 2.395 120 H HA -0.005 4.554 4.556 0.004 0.000 0.299 120 H C 2.132 177.400 175.328 -0.099 0.000 1.070 120 H CA 0.675 56.657 56.048 -0.110 0.000 1.356 120 H CB 0.198 29.887 29.762 -0.122 0.000 1.401 120 H HN 0.078 nan 8.280 nan 0.000 0.524 121 I N 0.581 121.130 120.570 -0.035 0.000 2.113 121 I HA -0.233 3.939 4.170 0.004 0.000 0.238 121 I C 2.661 178.816 176.117 0.063 0.000 1.070 121 I CA 1.074 62.364 61.300 -0.017 0.000 1.332 121 I CB -0.277 37.636 38.000 -0.145 0.000 1.044 121 I HN 0.256 nan 8.210 nan 0.000 0.402 122 A N 0.324 123.173 122.820 0.049 0.000 2.121 122 A HA 0.071 4.394 4.320 0.004 0.000 0.218 122 A C 2.010 179.639 177.584 0.075 0.000 1.154 122 A CA 1.141 53.252 52.037 0.124 0.000 0.679 122 A CB -1.008 18.085 19.000 0.155 0.000 0.795 122 A HN 0.693 nan 8.150 nan 0.000 0.458 123 G N -1.413 107.419 108.800 0.054 0.000 2.155 123 G HA2 -0.279 3.684 3.960 0.004 0.000 0.257 123 G HA3 -0.279 3.684 3.960 0.004 0.000 0.257 123 G C 0.188 175.110 174.900 0.036 0.000 0.983 123 G CA 0.584 45.715 45.100 0.051 0.000 0.676 123 G HN 0.738 nan 8.290 nan 0.000 0.528 124 R N -0.737 119.776 120.500 0.022 0.000 2.651 124 R HA 0.549 4.892 4.340 0.004 0.000 0.278 124 R C -0.450 175.841 176.300 -0.016 0.000 1.010 124 R CA -0.964 55.142 56.100 0.010 0.000 0.896 124 R CB 1.697 32.008 30.300 0.018 0.000 1.211 124 R HN 0.131 nan 8.270 nan 0.000 0.456 125 K N 1.270 121.656 120.400 -0.023 0.000 2.098 125 K HA 0.315 4.637 4.320 0.004 0.000 0.258 125 K C -0.446 176.142 176.600 -0.020 0.000 0.973 125 K CA -0.748 55.514 56.287 -0.042 0.000 0.898 125 K CB 0.947 33.417 32.500 -0.049 0.000 1.057 125 K HN 0.316 nan 8.250 nan 0.000 0.447 126 N N 2.643 121.332 118.700 -0.019 0.000 2.581 126 N HA 0.188 4.931 4.740 0.004 0.000 0.279 126 N C -2.297 173.225 175.510 0.021 0.000 1.124 126 N CA -1.818 51.235 53.050 0.004 0.000 0.833 126 N CB 1.433 39.927 38.487 0.010 0.000 1.338 126 N HN 0.255 nan 8.380 nan 0.000 0.533 127 P HA -0.002 nan 4.420 nan 0.000 0.227 127 P C 0.875 178.231 177.300 0.093 0.000 1.161 127 P CA 0.693 63.825 63.100 0.053 0.000 0.788 127 P CB 0.848 32.566 31.700 0.030 0.000 0.822 128 E N -0.253 119.983 120.200 0.061 0.000 2.106 128 E HA -0.139 4.214 4.350 0.004 0.000 0.192 128 E C 1.919 178.553 176.600 0.057 0.000 0.984 128 E CA 0.433 56.865 56.400 0.053 0.000 0.806 128 E CB -0.386 29.334 29.700 0.033 0.000 0.750 128 E HN 0.005 nan 8.360 nan 0.000 0.458 129 L N 0.282 121.541 121.223 0.059 0.000 2.093 129 L HA -0.159 4.184 4.340 0.004 0.000 0.208 129 L C 2.104 179.022 176.870 0.080 0.000 1.085 129 L CA 1.688 56.560 54.840 0.054 0.000 0.755 129 L CB -0.759 41.323 42.059 0.038 0.000 0.904 129 L HN 0.241 nan 8.230 nan 0.000 0.435 130 Y N 0.430 120.725 120.300 -0.008 0.000 2.145 130 Y HA -0.221 4.331 4.550 0.004 0.000 0.286 130 Y C 2.432 178.344 175.900 0.019 0.000 1.145 130 Y CA 2.020 60.115 58.100 -0.008 0.000 1.148 130 Y CB -0.138 38.307 38.460 -0.026 0.000 0.981 130 Y HN 0.253 nan 8.280 nan 0.000 0.507 131 E N 0.376 120.553 120.200 -0.038 0.000 2.153 131 E HA -0.225 4.128 4.350 0.004 0.000 0.194 131 E C 2.088 178.637 176.600 -0.085 0.000 0.988 131 E CA 1.466 57.806 56.400 -0.099 0.000 0.811 131 E CB -0.267 29.442 29.700 0.015 0.000 0.746 131 E HN 0.704 nan 8.360 nan 0.000 0.466 132 Q N -0.200 119.580 119.800 -0.033 0.000 2.123 132 Q HA -0.014 4.329 4.340 0.004 0.000 0.199 132 Q C 2.352 178.358 176.000 0.009 0.000 0.966 132 Q CA 0.638 56.442 55.803 0.002 0.000 0.845 132 Q CB -0.005 28.748 28.738 0.026 0.000 0.907 132 Q HN 0.280 nan 8.270 nan 0.000 0.439 133 I N 0.579 121.137 120.570 -0.020 0.000 2.226 133 I HA -0.299 3.874 4.170 0.004 0.000 0.245 133 I C 2.085 178.225 176.117 0.038 0.000 1.100 133 I CA 1.140 62.452 61.300 0.019 0.000 1.374 133 I CB -0.141 37.854 38.000 -0.009 0.000 1.057 133 I HN 0.208 nan 8.210 nan 0.000 0.413 134 L N -0.111 121.055 121.223 -0.095 0.000 2.072 134 L HA -0.196 4.147 4.340 0.004 0.000 0.205 134 L C 2.650 179.523 176.870 0.005 0.000 1.079 134 L CA 1.174 55.991 54.840 -0.038 0.000 0.752 134 L CB -0.737 41.201 42.059 -0.203 0.000 0.906 134 L HN 0.383 nan 8.230 nan 0.000 0.436 135 Q N -0.199 119.599 119.800 -0.005 0.000 2.167 135 Q HA -0.207 4.135 4.340 0.004 0.000 0.202 135 Q C 2.267 178.298 176.000 0.051 0.000 0.970 135 Q CA 1.903 57.722 55.803 0.027 0.000 0.855 135 Q CB 0.025 28.782 28.738 0.032 0.000 0.911 135 Q HN 0.345 nan 8.270 nan 0.000 0.438 136 S N 0.062 115.798 115.700 0.060 0.000 2.355 136 S HA -0.159 4.314 4.470 0.004 0.000 0.222 136 S C 1.830 176.474 174.600 0.073 0.000 1.031 136 S CA 1.402 59.651 58.200 0.082 0.000 0.993 136 S CB -0.153 63.111 63.200 0.105 0.000 0.859 136 S HN 0.447 nan 8.310 nan 0.000 0.453 137 Q N 0.868 120.698 119.800 0.050 0.000 2.079 137 Q HA -0.051 4.292 4.340 0.004 0.000 0.200 137 Q C 2.189 178.152 176.000 -0.061 0.000 0.974 137 Q CA 1.267 57.043 55.803 -0.045 0.000 0.840 137 Q CB -0.244 28.387 28.738 -0.178 0.000 0.898 137 Q HN 0.546 nan 8.270 nan 0.000 0.430 138 R N 0.004 120.490 120.500 -0.022 0.000 2.092 138 R HA -0.122 4.220 4.340 0.004 0.000 0.231 138 R C 2.423 178.740 176.300 0.028 0.000 1.119 138 R CA 1.059 57.153 56.100 -0.010 0.000 0.970 138 R CB -0.307 29.997 30.300 0.007 0.000 0.864 138 R HN 0.190 nan 8.270 nan 0.000 0.440 139 L N 0.782 122.043 121.223 0.063 0.000 2.027 139 L HA -0.124 4.218 4.340 0.004 0.000 0.206 139 L C 2.062 178.995 176.870 0.105 0.000 1.074 139 L CA 1.527 56.435 54.840 0.112 0.000 0.745 139 L CB -0.373 41.774 42.059 0.146 0.000 0.898 139 L HN -0.118 nan 8.230 nan 0.000 0.433 140 V N -0.978 118.979 119.914 0.072 0.000 2.324 140 V HA -0.334 3.789 4.120 0.004 0.000 0.250 140 V C 2.755 178.847 176.094 -0.004 0.000 1.060 140 V CA 1.881 64.209 62.300 0.046 0.000 1.042 140 V CB -1.156 30.733 31.823 0.109 0.000 0.650 140 V HN 0.605 nan 8.190 nan 0.000 0.450 141 S N -0.278 115.412 115.700 -0.017 0.000 2.359 141 S HA -0.267 4.206 4.470 0.004 0.000 0.222 141 S C 2.222 176.799 174.600 -0.038 0.000 1.038 141 S CA 1.858 60.027 58.200 -0.052 0.000 1.051 141 S CB -0.530 62.631 63.200 -0.064 0.000 0.944 141 S HN 0.667 nan 8.310 nan 0.000 0.433 142 A N 1.175 124.016 122.820 0.035 0.000 1.927 142 A HA -0.138 4.184 4.320 0.004 0.000 0.220 142 A C 2.128 179.785 177.584 0.122 0.000 1.185 142 A CA 1.903 54.020 52.037 0.134 0.000 0.639 142 A CB -0.908 18.232 19.000 0.234 0.000 0.820 142 A HN 0.642 nan 8.150 nan 0.000 0.451 143 I N -0.602 119.968 120.570 -0.000 0.000 2.179 143 I HA -0.212 3.960 4.170 0.004 0.000 0.242 143 I C 2.312 178.196 176.117 -0.388 0.000 1.088 143 I CA 1.261 62.391 61.300 -0.284 0.000 1.357 143 I CB -0.268 37.629 38.000 -0.173 0.000 1.051 143 I HN 0.180 nan 8.210 nan 0.000 0.409 144 V N -0.535 119.190 119.914 -0.316 0.000 2.427 144 V HA -0.254 3.868 4.120 0.004 0.000 0.248 144 V C 2.520 178.452 176.094 -0.269 0.000 1.051 144 V CA 1.971 64.052 62.300 -0.365 0.000 1.048 144 V CB -0.515 31.168 31.823 -0.234 0.000 0.666 144 V HN 0.393 nan 8.190 nan 0.000 0.456 145 S N -0.838 114.738 115.700 -0.207 0.000 2.382 145 S HA -0.276 4.197 4.470 0.004 0.000 0.228 145 S C 2.065 176.706 174.600 0.067 0.000 1.027 145 S CA 2.115 60.218 58.200 -0.162 0.000 0.991 145 S CB -0.322 62.812 63.200 -0.110 0.000 0.823 145 S HN 0.848 nan 8.310 nan 0.000 0.469 146 H N 1.499 120.493 119.070 -0.126 0.000 2.333 146 H HA 0.180 4.739 4.556 0.004 0.000 0.302 146 H C 1.912 177.103 175.328 -0.228 0.000 1.075 146 H CA 2.033 57.995 56.048 -0.145 0.000 1.348 146 H CB -0.237 29.348 29.762 -0.295 0.000 1.393 146 H HN 0.338 nan 8.280 nan 0.000 0.509 147 N N -0.201 118.182 118.700 -0.529 0.000 2.424 147 N HA 0.002 4.745 4.740 0.004 0.000 0.178 147 N C 1.440 176.642 175.510 -0.513 0.000 1.060 147 N CA 0.770 53.405 53.050 -0.691 0.000 0.901 147 N CB 0.152 37.902 38.487 -1.229 0.000 0.979 147 N HN 0.436 nan 8.380 nan 0.000 0.451 148 G N 0.534 109.142 108.800 -0.321 0.000 3.186 148 G HA2 -0.076 3.886 3.960 0.004 0.000 0.214 148 G HA3 -0.076 3.886 3.960 0.004 0.000 0.214 148 G C 1.316 176.149 174.900 -0.113 0.000 1.222 148 G CA -0.112 44.892 45.100 -0.158 0.000 0.921 148 G HN 0.230 nan 8.290 nan 0.000 0.504 149 R N -0.843 119.527 120.500 -0.216 0.000 2.419 149 R HA 0.112 4.455 4.340 0.004 0.000 0.235 149 R C 0.438 176.645 176.300 -0.156 0.000 0.899 149 R CA -0.191 55.780 56.100 -0.216 0.000 1.048 149 R CB 0.474 30.603 30.300 -0.286 0.000 1.182 149 R HN 0.439 nan 8.270 nan 0.000 0.544 150 Q N 1.538 121.244 119.800 -0.158 0.000 2.432 150 Q HA 0.070 4.412 4.340 0.004 0.000 0.264 150 Q C -0.045 175.922 176.000 -0.056 0.000 1.035 150 Q CA -0.035 55.710 55.803 -0.096 0.000 0.908 150 Q CB 0.740 29.433 28.738 -0.075 0.000 1.280 150 Q HN 0.019 nan 8.270 nan 0.000 0.455 151 R N 0.325 120.810 120.500 -0.024 0.000 2.619 151 R HA -0.079 4.264 4.340 0.004 0.000 0.268 151 R C 0.477 176.794 176.300 0.029 0.000 0.990 151 R CA 0.683 56.783 56.100 0.001 0.000 1.092 151 R CB 0.275 30.582 30.300 0.012 0.000 0.935 151 R HN 0.838 nan 8.270 nan 0.000 0.415 152 A N 3.144 125.989 122.820 0.040 0.000 2.072 152 A HA -0.081 4.241 4.320 0.004 0.000 0.216 152 A C 1.018 178.672 177.584 0.117 0.000 1.156 152 A CA 1.105 53.188 52.037 0.078 0.000 0.701 152 A CB -0.019 19.020 19.000 0.066 0.000 0.816 152 A HN 0.908 nan 8.150 nan 0.000 0.458 153 D N -0.340 120.114 120.400 0.090 0.000 2.325 153 D HA 0.303 4.946 4.640 0.004 0.000 0.225 153 D C 1.385 177.736 176.300 0.084 0.000 1.096 153 D CA 0.677 54.730 54.000 0.088 0.000 0.844 153 D CB -0.191 40.676 40.800 0.111 0.000 0.925 153 D HN 0.239 nan 8.370 nan 0.000 0.513 154 A N 2.031 124.907 122.820 0.095 0.000 1.884 154 A HA -0.163 4.159 4.320 0.004 0.000 0.219 154 A C -0.005 177.611 177.584 0.053 0.000 1.197 154 A CA 1.564 53.654 52.037 0.089 0.000 0.637 154 A CB -1.692 17.370 19.000 0.103 0.000 0.827 154 A HN 0.266 nan 8.150 nan 0.000 0.450 155 P HA -0.147 nan 4.420 nan 0.000 0.218 155 P C 0.948 178.164 177.300 -0.139 0.000 1.146 155 P CA 0.943 63.968 63.100 -0.126 0.000 0.820 155 P CB -0.057 31.490 31.700 -0.256 0.000 0.778 156 L N -1.355 119.796 121.223 -0.120 0.000 2.591 156 L HA 0.019 4.362 4.340 0.004 0.000 0.228 156 L C 2.078 178.934 176.870 -0.023 0.000 1.133 156 L CA 1.356 56.057 54.840 -0.232 0.000 0.880 156 L CB -0.770 40.986 42.059 -0.505 0.000 1.033 156 L HN -0.065 nan 8.230 nan 0.000 0.450 157 Q N -1.337 118.527 119.800 0.106 0.000 2.354 157 Q HA 0.111 4.453 4.340 0.004 0.000 0.203 157 Q C 0.124 176.259 176.000 0.224 0.000 0.933 157 Q CA 0.544 56.476 55.803 0.215 0.000 0.901 157 Q CB 0.400 29.246 28.738 0.180 0.000 1.007 157 Q HN 0.336 nan 8.270 nan 0.000 0.495 158 H N -1.219 117.887 119.070 0.060 0.000 2.947 158 H HA 0.040 4.599 4.556 0.004 0.000 0.354 158 H C -0.162 175.166 175.328 0.001 0.000 1.085 158 H CA -0.855 55.228 56.048 0.058 0.000 1.253 158 H CB 0.650 30.435 29.762 0.038 0.000 1.757 158 H HN -0.046 nan 8.280 nan 0.000 0.523 159 Y N 4.546 125.039 120.300 0.322 0.000 2.002 159 Y HA -0.345 4.208 4.550 0.005 0.000 0.268 159 Y C 1.986 177.833 175.900 -0.089 0.000 1.177 159 Y CA 2.693 60.859 58.100 0.109 0.000 1.111 159 Y CB -0.185 38.309 38.460 0.057 0.000 0.952 159 Y HN 0.556 nan 8.280 nan 0.000 0.491 160 L N 0.929 121.975 121.223 -0.295 0.000 2.189 160 L HA -0.287 4.056 4.340 0.004 0.000 0.214 160 L C 2.157 178.750 176.870 -0.461 0.000 1.097 160 L CA 2.024 56.505 54.840 -0.600 0.000 0.764 160 L CB -0.818 40.935 42.059 -0.511 0.000 0.900 160 L HN 0.477 nan 8.230 nan 0.000 0.436 161 Q N -1.627 117.966 119.800 -0.345 0.000 2.187 161 Q HA -0.111 4.231 4.340 0.004 0.000 0.199 161 Q C 2.341 178.142 176.000 -0.331 0.000 0.957 161 Q CA 1.285 56.933 55.803 -0.259 0.000 0.857 161 Q CB -0.029 28.639 28.738 -0.117 0.000 0.929 161 Q HN 0.758 nan 8.270 nan 0.000 0.453 162 S N 0.784 116.271 115.700 -0.355 0.000 2.368 162 S HA -0.173 4.299 4.470 0.004 0.000 0.225 162 S C 1.709 176.034 174.600 -0.459 0.000 1.030 162 S CA 0.987 58.950 58.200 -0.394 0.000 0.999 162 S CB -0.133 62.867 63.200 -0.333 0.000 0.844 162 S HN 0.245 nan 8.310 nan 0.000 0.459 163 E N 1.339 121.215 120.200 -0.540 0.000 2.152 163 E HA -0.055 4.298 4.350 0.004 0.000 0.192 163 E C 2.317 178.711 176.600 -0.345 0.000 0.983 163 E CA 0.963 57.110 56.400 -0.422 0.000 0.818 163 E CB -0.321 29.119 29.700 -0.433 0.000 0.758 163 E HN 0.759 nan 8.360 nan 0.000 0.467 164 Q N -0.480 119.103 119.800 -0.362 0.000 2.311 164 Q HA 0.021 4.363 4.340 0.004 0.000 0.203 164 Q C 1.688 177.338 176.000 -0.584 0.000 0.954 164 Q CA 0.923 56.538 55.803 -0.313 0.000 0.885 164 Q CB 0.247 28.865 28.738 -0.201 0.000 0.963 164 Q HN 0.145 nan 8.270 nan 0.000 0.471 165 G N 0.291 108.586 108.800 -0.842 0.000 3.284 165 G HA2 0.089 4.051 3.960 0.004 0.000 0.236 165 G HA3 0.089 4.051 3.960 0.004 0.000 0.236 165 G C 0.185 174.082 174.900 -1.671 0.000 1.158 165 G CA -0.272 43.792 45.100 -1.726 0.000 0.774 165 G HN 0.115 nan 8.290 nan 0.000 0.545 166 L N 1.335 122.022 121.223 -0.894 0.000 2.437 166 L HA 0.384 4.726 4.340 0.004 0.000 0.243 166 L C 1.075 177.703 176.870 -0.403 0.000 1.346 166 L CA -1.043 53.478 54.840 -0.533 0.000 1.233 166 L CB -0.872 41.016 42.059 -0.285 0.000 1.436 166 L HN 0.396 nan 8.230 nan 0.000 0.416 167 W N 0.800 121.906 121.300 -0.323 0.000 2.350 167 W HA -0.213 4.450 4.660 0.005 0.000 0.289 167 W C 1.246 177.426 176.519 -0.565 0.000 1.215 167 W CA 0.493 57.492 57.345 -0.575 0.000 1.236 167 W CB -0.443 28.413 29.460 -1.007 0.000 1.130 167 W HN 0.387 nan 8.180 nan 0.000 0.541 168 F N -0.714 119.344 119.950 0.179 0.000 2.720 168 F HA 0.459 4.989 4.527 0.004 0.000 0.301 168 F C 1.733 177.589 175.800 0.093 0.000 1.103 168 F CA 0.334 58.414 58.000 0.134 0.000 1.291 168 F CB -0.531 38.553 39.000 0.139 0.000 1.086 168 F HN -0.037 nan 8.300 nan 0.000 0.592 169 G N 0.188 109.091 108.800 0.172 0.000 2.553 169 G HA2 -0.290 3.673 3.960 0.004 0.000 0.242 169 G HA3 -0.290 3.673 3.960 0.004 0.000 0.242 169 G C -0.502 174.487 174.900 0.149 0.000 1.277 169 G CA -0.328 44.832 45.100 0.100 0.000 0.910 169 G HN 0.443 nan 8.290 nan 0.000 0.576 170 H N 3.688 122.759 119.070 0.001 0.000 3.145 170 H HA 0.212 4.771 4.556 0.004 0.000 0.288 170 H C -0.749 174.651 175.328 0.120 0.000 0.969 170 H CA -0.585 55.482 56.048 0.032 0.000 1.444 170 H CB 0.979 30.732 29.762 -0.015 0.000 1.500 170 H HN 0.275 nan 8.280 nan 0.000 0.552 171 P HA -0.012 nan 4.420 nan 0.000 0.242 171 P C -0.486 177.022 177.300 0.346 0.000 1.197 171 P CA 0.304 63.590 63.100 0.310 0.000 0.765 171 P CB 0.490 32.306 31.700 0.194 0.000 0.936 172 S N -0.274 115.725 115.700 0.498 0.000 2.359 172 S HA 0.225 4.697 4.470 0.004 0.000 0.148 172 S C -0.697 173.902 174.600 -0.003 0.000 1.610 172 S CA -0.472 57.878 58.200 0.250 0.000 1.274 172 S CB 0.017 63.381 63.200 0.273 0.000 1.380 172 S HN 0.208 nan 8.310 nan 0.000 0.380 173 H N 2.265 121.290 119.070 -0.074 0.000 2.806 173 H HA 0.324 4.883 4.556 0.004 0.000 0.367 173 H C -2.415 172.897 175.328 -0.027 0.000 1.136 173 H CA -1.741 54.206 56.048 -0.168 0.000 1.178 173 H CB 2.713 32.360 29.762 -0.192 0.000 1.718 173 H HN 0.068 nan 8.280 nan 0.000 0.540 174 P HA 0.011 nan 4.420 nan 0.000 0.221 174 P C -0.064 177.313 177.300 0.127 0.000 1.150 174 P CA 0.724 63.811 63.100 -0.021 0.000 0.800 174 P CB 0.751 32.395 31.700 -0.094 0.000 0.787 175 A N -0.197 122.816 122.820 0.322 0.000 3.399 175 A HA 0.371 4.693 4.320 0.004 0.000 0.262 175 A C -2.062 175.708 177.584 0.311 0.000 1.145 175 A CA -0.703 51.512 52.037 0.297 0.000 0.916 175 A CB 0.192 19.294 19.000 0.169 0.000 1.360 175 A HN -0.035 nan 8.150 nan 0.000 0.628 176 P HA -0.083 nan 4.420 nan 0.000 0.226 176 P C 0.535 177.782 177.300 -0.088 0.000 1.153 176 P CA 1.159 64.134 63.100 -0.209 0.000 0.777 176 P CB 0.331 32.023 31.700 -0.014 0.000 0.794 177 K N -0.504 119.915 120.400 0.031 0.000 2.399 177 K HA 0.317 4.640 4.320 0.004 0.000 0.204 177 K C 0.680 177.317 176.600 0.062 0.000 1.023 177 K CA -0.530 55.791 56.287 0.057 0.000 1.127 177 K CB 0.234 32.793 32.500 0.099 0.000 0.856 177 K HN 0.010 nan 8.250 nan 0.000 0.514 178 A N 1.880 124.724 122.820 0.040 0.000 2.451 178 A HA 0.356 4.679 4.320 0.004 0.000 0.266 178 A C -0.273 177.291 177.584 -0.033 0.000 1.119 178 A CA 0.045 52.098 52.037 0.027 0.000 0.786 178 A CB 0.055 19.078 19.000 0.039 0.000 1.061 178 A HN 0.225 nan 8.150 nan 0.000 0.503 179 R N 1.881 122.345 120.500 -0.061 0.000 2.510 179 R HA 0.358 4.700 4.340 0.004 0.000 0.287 179 R C -1.682 174.410 176.300 -0.347 0.000 1.084 179 R CA -0.737 55.202 56.100 -0.269 0.000 0.934 179 R CB 1.634 31.783 30.300 -0.252 0.000 1.201 179 R HN 0.516 nan 8.270 nan 0.000 0.431 180 L N 4.234 125.221 121.223 -0.393 0.000 2.353 180 L HA 0.402 4.744 4.340 0.004 0.000 0.269 180 L C -1.124 175.606 176.870 -0.233 0.000 1.085 180 L CA -0.529 54.183 54.840 -0.213 0.000 0.938 180 L CB 0.013 42.010 42.059 -0.104 0.000 1.312 180 L HN 0.520 nan 8.230 nan 0.000 0.429 181 W N 4.887 126.207 121.300 0.034 0.000 2.184 181 W HA 0.433 5.095 4.660 0.004 0.000 0.338 181 W C -1.522 175.017 176.519 0.033 0.000 1.257 181 W CA -1.509 55.853 57.345 0.030 0.000 1.243 181 W CB -0.414 29.096 29.460 0.085 0.000 1.122 181 W HN 0.398 nan 8.180 nan 0.000 0.585 182 P HA 0.180 nan 4.420 nan 0.000 0.269 182 P C -0.248 177.162 177.300 0.183 0.000 1.209 182 P CA -0.182 63.023 63.100 0.174 0.000 0.776 182 P CB 0.456 32.243 31.700 0.144 0.000 0.876 186 G N 0.534 109.357 108.800 0.038 0.000 2.881 186 G HA2 -0.245 3.717 3.960 0.004 0.000 0.681 186 G HA3 -0.245 3.717 3.960 0.004 0.000 0.681 186 G C 0.234 175.001 174.900 -0.221 0.000 1.567 186 G CA 0.144 45.197 45.100 -0.079 0.000 1.013 186 G HN 0.148 nan 8.290 nan 0.000 0.580 187 Q N 0.651 120.327 119.800 -0.207 0.000 2.165 187 Q HA -0.002 4.341 4.340 0.004 0.000 0.197 187 Q C 2.602 178.383 176.000 -0.366 0.000 0.952 187 Q CA 1.821 57.505 55.803 -0.199 0.000 0.848 187 Q CB -0.060 28.680 28.738 0.004 0.000 0.931 187 Q HN 0.787 nan 8.270 nan 0.000 0.470 188 E N 1.281 121.149 120.200 -0.553 0.000 2.118 188 E HA -0.208 4.145 4.350 0.004 0.000 0.195 188 E C 1.892 178.150 176.600 -0.569 0.000 0.992 188 E CA 1.199 57.151 56.400 -0.747 0.000 0.804 188 E CB -0.061 29.076 29.700 -0.937 0.000 0.741 188 E HN 0.256 nan 8.360 nan 0.000 0.458 189 Q N -1.449 117.873 119.800 -0.797 0.000 2.364 189 Q HA -0.080 4.262 4.340 0.004 0.000 0.207 189 Q C 0.707 176.063 176.000 -1.073 0.000 0.970 189 Q CA 1.051 56.215 55.803 -1.066 0.000 0.888 189 Q CB -0.077 27.745 28.738 -1.527 0.000 0.951 189 Q HN 0.510 nan 8.270 nan 0.000 0.469 190 W N -1.059 120.087 121.300 -0.258 0.000 2.714 190 W HA 0.575 5.238 4.660 0.004 0.000 0.353 190 W C -0.063 176.420 176.519 -0.059 0.000 0.999 190 W CA -0.568 56.657 57.345 -0.200 0.000 1.629 190 W CB 0.505 29.694 29.460 -0.452 0.000 1.106 190 W HN -0.179 nan 8.180 nan 0.000 0.545 191 A N 1.986 124.861 122.820 0.092 0.000 2.309 191 A HA 0.371 4.693 4.320 0.004 0.000 0.290 191 A C -1.517 176.157 177.584 0.150 0.000 1.206 191 A CA -1.150 51.006 52.037 0.198 0.000 0.850 191 A CB 0.631 19.812 19.000 0.301 0.000 1.118 191 A HN -0.086 nan 8.150 nan 0.000 0.523 192 P HA -0.190 nan 4.420 nan 0.000 0.215 192 P C 0.742 178.076 177.300 0.057 0.000 1.157 192 P CA 1.481 64.595 63.100 0.023 0.000 0.874 192 P CB 0.201 31.879 31.700 -0.037 0.000 0.790 193 E N -1.964 118.294 120.200 0.097 0.000 2.401 193 E HA -0.105 4.247 4.350 0.004 0.000 0.199 193 E C 0.751 177.348 176.600 -0.005 0.000 1.023 193 E CA 0.807 57.278 56.400 0.117 0.000 0.859 193 E CB -0.843 28.943 29.700 0.143 0.000 0.780 193 E HN 0.368 nan 8.360 nan 0.000 0.523 194 F N 0.196 120.181 119.950 0.059 0.000 2.684 194 F HA 0.185 4.714 4.527 0.004 0.000 0.298 194 F C -0.178 175.614 175.800 -0.013 0.000 1.120 194 F CA -0.585 57.374 58.000 -0.068 0.000 1.332 194 F CB 0.094 38.943 39.000 -0.252 0.000 0.986 194 F HN -0.275 nan 8.300 nan 0.000 0.524 195 Q N 0.285 120.174 119.800 0.148 0.000 2.447 195 Q HA -0.194 4.149 4.340 0.004 0.000 0.348 195 Q C -0.002 176.040 176.000 0.069 0.000 1.421 195 Q CA 0.840 56.700 55.803 0.094 0.000 0.978 195 Q CB -1.538 27.266 28.738 0.111 0.000 1.191 195 Q HN 0.404 nan 8.270 nan 0.000 0.371 196 A N 1.636 124.484 122.820 0.047 0.000 2.328 196 A HA 0.698 5.020 4.320 0.004 0.000 0.284 196 A C 0.178 177.798 177.584 0.060 0.000 1.160 196 A CA -0.344 51.698 52.037 0.008 0.000 0.818 196 A CB 0.742 19.719 19.000 -0.038 0.000 1.087 196 A HN 0.380 nan 8.150 nan 0.000 0.504 197 R N 0.656 121.200 120.500 0.072 0.000 2.803 197 R HA 0.790 5.133 4.340 0.004 0.000 0.276 197 R C -0.753 175.654 176.300 0.179 0.000 0.978 197 R CA -0.491 55.707 56.100 0.162 0.000 0.939 197 R CB 2.460 32.819 30.300 0.097 0.000 1.179 197 R HN 0.910 nan 8.270 nan 0.000 0.472 198 A N 0.786 123.784 122.820 0.296 0.000 2.606 198 A HA 0.718 5.040 4.320 0.004 0.000 0.293 198 A C -1.394 176.208 177.584 0.030 0.000 1.082 198 A CA -0.705 51.434 52.037 0.170 0.000 0.685 198 A CB 1.748 20.943 19.000 0.325 0.000 1.284 198 A HN 0.738 nan 8.150 nan 0.000 0.408 199 A N 0.983 123.777 122.820 -0.042 0.000 2.409 199 A HA 0.587 4.909 4.320 0.004 0.000 0.262 199 A C -0.010 177.450 177.584 -0.207 0.000 1.113 199 A CA -0.237 51.726 52.037 -0.124 0.000 0.790 199 A CB -0.428 18.505 19.000 -0.111 0.000 1.046 199 A HN 0.904 nan 8.150 nan 0.000 0.496 200 L N 2.519 123.555 121.223 -0.311 0.000 2.453 200 L HA 0.101 4.444 4.340 0.004 0.000 0.272 200 L C 0.935 177.692 176.870 -0.187 0.000 1.182 200 L CA -0.079 54.545 54.840 -0.360 0.000 0.858 200 L CB 0.055 41.866 42.059 -0.413 0.000 1.120 200 L HN 0.810 nan 8.230 nan 0.000 0.474 201 H N 2.520 121.484 119.070 -0.177 0.000 2.998 201 H HA 0.085 4.643 4.556 0.004 0.000 0.353 201 H C -0.455 174.766 175.328 -0.178 0.000 1.099 201 H CA 0.859 56.810 56.048 -0.162 0.000 1.393 201 H CB 0.506 30.216 29.762 -0.087 0.000 1.343 201 H HN 0.538 nan 8.280 nan 0.000 0.609 202 Q N 2.260 121.921 119.800 -0.232 0.000 2.416 202 Q HA 0.369 4.712 4.340 0.004 0.000 0.281 202 Q C -1.446 174.350 176.000 -0.341 0.000 1.067 202 Q CA -0.770 54.946 55.803 -0.146 0.000 0.809 202 Q CB 2.398 31.058 28.738 -0.131 0.000 1.418 202 Q HN 0.445 nan 8.270 nan 0.000 0.411 203 F N 0.213 120.177 119.950 0.023 0.000 2.576 203 F HA 0.323 4.853 4.527 0.004 0.000 0.313 203 F C -0.002 175.759 175.800 -0.065 0.000 1.078 203 F CA -0.821 57.181 58.000 0.004 0.000 0.921 203 F CB 1.942 40.949 39.000 0.010 0.000 1.232 203 F HN 0.429 nan 8.300 nan 0.000 0.459 204 E N 2.281 122.543 120.200 0.103 0.000 2.227 204 E HA 0.610 4.963 4.350 0.004 0.000 0.282 204 E C -1.487 175.108 176.600 -0.008 0.000 1.015 204 E CA -0.622 55.798 56.400 0.034 0.000 0.823 204 E CB 1.283 30.979 29.700 -0.006 0.000 1.081 204 E HN 0.528 nan 8.360 nan 0.000 0.396 205 V N 1.689 121.561 119.914 -0.070 0.000 2.888 205 V HA 0.611 4.734 4.120 0.004 0.000 0.309 205 V C -2.818 173.181 176.094 -0.158 0.000 1.114 205 V CA -2.716 59.361 62.300 -0.372 0.000 0.940 205 V CB 1.460 32.626 31.823 -1.096 0.000 1.021 205 V HN 0.588 nan 8.190 nan 0.000 0.426 206 P HA 0.218 nan 4.420 nan 0.000 0.271 206 P C 1.091 178.417 177.300 0.042 0.000 1.218 206 P CA 0.118 63.023 63.100 -0.326 0.000 0.780 206 P CB 1.150 32.725 31.700 -0.208 0.000 0.901 207 V N -0.370 119.511 119.914 -0.055 0.000 2.970 207 V HA -0.159 3.964 4.120 0.004 0.000 0.260 207 V C 1.416 177.538 176.094 0.046 0.000 1.100 207 V CA 1.859 64.184 62.300 0.042 0.000 1.122 207 V CB -1.467 30.361 31.823 0.007 0.000 0.721 207 V HN 0.473 nan 8.190 nan 0.000 0.483 208 D N 2.210 122.621 120.400 0.019 0.000 2.219 208 D HA -0.042 4.600 4.640 0.004 0.000 0.205 208 D C 1.871 178.109 176.300 -0.104 0.000 0.970 208 D CA 1.531 55.508 54.000 -0.038 0.000 0.851 208 D CB -0.620 40.152 40.800 -0.046 0.000 0.943 208 D HN 0.542 nan 8.370 nan 0.000 0.488 209 G N -0.117 108.644 108.800 -0.064 0.000 3.284 209 G HA2 0.286 4.249 3.960 0.004 0.000 0.236 209 G HA3 0.286 4.249 3.960 0.004 0.000 0.236 209 G C 0.436 175.108 174.900 -0.380 0.000 1.158 209 G CA -0.452 44.371 45.100 -0.461 0.000 0.774 209 G HN 0.194 nan 8.290 nan 0.000 0.545 210 L N 1.082 122.275 121.223 -0.049 0.000 2.371 210 L HA 0.407 4.750 4.340 0.004 0.000 0.272 210 L C -0.413 176.372 176.870 -0.142 0.000 1.124 210 L CA -0.789 54.104 54.840 0.087 0.000 0.816 210 L CB 0.991 43.133 42.059 0.138 0.000 1.129 210 L HN 0.137 nan 8.230 nan 0.000 0.448 211 H N 3.618 122.702 119.070 0.023 0.000 2.646 211 H HA 0.561 5.120 4.556 0.004 0.000 0.328 211 H C -0.744 174.612 175.328 0.046 0.000 0.998 211 H CA -0.293 55.770 56.048 0.025 0.000 1.225 211 H CB 1.172 30.947 29.762 0.022 0.000 1.457 211 H HN 0.355 nan 8.280 nan 0.000 0.505 212 I N 2.341 122.988 120.570 0.128 0.000 2.436 212 I HA 0.476 4.649 4.170 0.004 0.000 0.289 212 I C 0.416 176.596 176.117 0.105 0.000 1.010 212 I CA -0.744 60.621 61.300 0.108 0.000 1.098 212 I CB 2.194 40.244 38.000 0.082 0.000 1.266 212 I HN 0.683 nan 8.210 nan 0.000 0.434 213 G N 4.307 113.174 108.800 0.111 0.000 2.416 213 G HA2 0.818 4.780 3.960 0.004 0.000 0.329 213 G HA3 0.818 4.780 3.960 0.004 0.000 0.329 213 G C -1.264 173.691 174.900 0.093 0.000 1.173 213 G CA -0.512 44.649 45.100 0.102 0.000 0.929 213 G HN 0.767 nan 8.290 nan 0.000 0.475 214 A N 2.044 124.912 122.820 0.080 0.000 2.488 214 A HA 0.725 5.048 4.320 0.004 0.000 0.295 214 A C -1.196 176.429 177.584 0.068 0.000 1.045 214 A CA -0.843 51.235 52.037 0.068 0.000 0.703 214 A CB 1.719 20.755 19.000 0.059 0.000 1.271 214 A HN 0.481 nan 8.150 nan 0.000 0.400 215 N N 0.853 119.596 118.700 0.071 0.000 2.573 215 N HA 0.527 5.270 4.740 0.004 0.000 0.262 215 N C 0.612 176.165 175.510 0.072 0.000 1.029 215 N CA 0.754 53.848 53.050 0.073 0.000 0.882 215 N CB 1.632 40.172 38.487 0.088 0.000 1.204 215 N HN 1.713 nan 8.380 nan 0.000 0.519 216 G N 0.997 109.834 108.800 0.062 0.000 2.176 216 G HA2 -0.236 3.726 3.960 0.004 0.000 0.253 216 G HA3 -0.236 3.726 3.960 0.004 0.000 0.253 216 G C -0.256 174.680 174.900 0.060 0.000 0.979 216 G CA 0.241 45.376 45.100 0.059 0.000 0.641 216 G HN 0.426 nan 8.290 nan 0.000 0.530 217 L N 0.395 121.653 121.223 0.058 0.000 2.309 217 L HA 0.767 5.109 4.340 0.004 0.000 0.261 217 L C 0.900 177.798 176.870 0.047 0.000 1.021 217 L CA -0.652 54.220 54.840 0.053 0.000 0.823 217 L CB 2.039 44.125 42.059 0.045 0.000 1.366 217 L HN 0.274 nan 8.230 nan 0.000 0.423 218 T N -3.081 111.500 114.554 0.045 0.000 2.913 218 T HA 0.298 4.651 4.350 0.004 0.000 0.287 218 T C -2.033 172.695 174.700 0.046 0.000 1.008 218 T CA -1.703 60.422 62.100 0.043 0.000 1.067 218 T CB 1.489 70.381 68.868 0.040 0.000 0.996 218 T HN 0.313 nan 8.240 nan 0.000 0.513 219 P HA -0.145 nan 4.420 nan 0.000 0.217 219 P C 1.806 179.143 177.300 0.061 0.000 1.151 219 P CA 0.981 64.115 63.100 0.056 0.000 0.849 219 P CB 0.081 31.810 31.700 0.048 0.000 0.787 220 Q N -0.601 119.231 119.800 0.053 0.000 2.119 220 Q HA -0.147 4.196 4.340 0.004 0.000 0.201 220 Q C 2.223 178.261 176.000 0.062 0.000 0.972 220 Q CA 1.496 57.333 55.803 0.057 0.000 0.847 220 Q CB -0.618 28.149 28.738 0.047 0.000 0.903 220 Q HN 0.470 nan 8.270 nan 0.000 0.433 221 Q N -0.427 119.406 119.800 0.054 0.000 2.084 221 Q HA -0.098 4.244 4.340 0.004 0.000 0.202 221 Q C 2.187 178.203 176.000 0.026 0.000 0.978 221 Q CA 1.348 57.183 55.803 0.053 0.000 0.844 221 Q CB 0.083 28.853 28.738 0.054 0.000 0.898 221 Q HN 0.171 nan 8.270 nan 0.000 0.426 222 V N 1.135 121.063 119.914 0.023 0.000 2.295 222 V HA -0.270 3.852 4.120 0.004 0.000 0.246 222 V C 2.208 178.391 176.094 0.149 0.000 1.049 222 V CA 1.570 63.881 62.300 0.017 0.000 1.024 222 V CB -0.534 31.333 31.823 0.074 0.000 0.648 222 V HN 0.342 nan 8.190 nan 0.000 0.447 223 L N -0.190 121.129 121.223 0.160 0.000 2.083 223 L HA -0.188 4.155 4.340 0.004 0.000 0.209 223 L C 2.381 179.361 176.870 0.183 0.000 1.083 223 L CA 1.532 56.489 54.840 0.194 0.000 0.752 223 L CB -0.748 41.380 42.059 0.115 0.000 0.899 223 L HN 0.345 nan 8.230 nan 0.000 0.433 224 D N 0.046 120.519 120.400 0.122 0.000 2.178 224 D HA -0.135 4.507 4.640 0.004 0.000 0.201 224 D C 2.117 178.502 176.300 0.141 0.000 0.980 224 D CA 1.466 55.534 54.000 0.113 0.000 0.842 224 D CB -0.235 40.622 40.800 0.096 0.000 0.948 224 D HN 0.376 nan 8.370 nan 0.000 0.472 225 G N -0.645 108.205 108.800 0.084 0.000 2.443 225 G HA2 -0.196 3.766 3.960 0.004 0.000 0.219 225 G HA3 -0.196 3.766 3.960 0.004 0.000 0.219 225 G C 1.335 176.252 174.900 0.028 0.000 1.131 225 G CA 0.150 45.272 45.100 0.037 0.000 0.775 225 G HN 0.178 nan 8.290 nan 0.000 0.547 226 F N 1.061 121.049 119.950 0.064 0.000 2.220 226 F HA 0.515 5.045 4.527 0.004 0.000 0.290 226 F C 1.435 177.239 175.800 0.007 0.000 1.080 226 F CA 0.876 58.900 58.000 0.040 0.000 1.318 226 F CB 0.180 39.185 39.000 0.008 0.000 1.063 226 F HN 0.203 nan 8.300 nan 0.000 0.498 227 A N -0.580 122.365 122.820 0.208 0.000 2.520 227 A HA 0.435 4.758 4.320 0.004 0.000 0.298 227 A C -1.537 176.082 177.584 0.058 0.000 1.051 227 A CA -0.719 51.369 52.037 0.084 0.000 0.690 227 A CB 0.645 19.686 19.000 0.069 0.000 1.281 227 A HN 0.026 nan 8.150 nan 0.000 0.402 228 D N 0.981 121.387 120.400 0.010 0.000 2.455 228 D HA 0.163 4.805 4.640 0.004 0.000 0.241 228 D C 0.639 176.947 176.300 0.013 0.000 1.138 228 D CA 0.471 54.477 54.000 0.008 0.000 0.877 228 D CB 0.844 41.632 40.800 -0.019 0.000 1.187 228 D HN 0.349 nan 8.370 nan 0.000 0.451 229 Q N 2.367 122.181 119.800 0.023 0.000 2.282 229 Q HA 0.009 4.352 4.340 0.004 0.000 0.206 229 Q C 1.284 177.293 176.000 0.015 0.000 0.878 229 Q CA 0.047 55.865 55.803 0.026 0.000 0.944 229 Q CB 0.492 29.255 28.738 0.041 0.000 1.100 229 Q HN 0.640 nan 8.270 nan 0.000 0.509 230 Q N 0.703 120.506 119.800 0.005 0.000 2.077 230 Q HA -0.132 4.211 4.340 0.004 0.000 0.206 230 Q C -0.568 175.428 176.000 -0.007 0.000 0.989 230 Q CA 1.462 57.265 55.803 -0.001 0.000 0.853 230 Q CB -1.261 27.472 28.738 -0.008 0.000 0.907 230 Q HN 0.410 nan 8.270 nan 0.000 0.418 231 P HA 0.002 nan 4.420 nan 0.000 0.226 231 P C -0.253 177.034 177.300 -0.021 0.000 1.153 231 P CA 0.694 63.779 63.100 -0.025 0.000 0.777 231 P CB -0.126 31.552 31.700 -0.038 0.000 0.794 232 A N 1.096 123.914 122.820 -0.003 0.000 2.520 232 A HA 0.333 4.656 4.320 0.004 0.000 0.245 232 A C 0.934 178.526 177.584 0.013 0.000 1.072 232 A CA -0.116 51.930 52.037 0.015 0.000 0.761 232 A CB -0.238 18.791 19.000 0.049 0.000 1.004 232 A HN 0.328 nan 8.150 nan 0.000 0.499 233 S N 2.862 118.556 115.700 -0.011 0.000 2.624 233 S HA 0.507 4.979 4.470 0.004 0.000 0.263 233 S C -2.654 171.996 174.600 0.083 0.000 1.287 233 S CA -1.218 56.977 58.200 -0.008 0.000 0.990 233 S CB -0.109 63.029 63.200 -0.103 0.000 0.950 233 S HN 0.519 nan 8.310 nan 0.000 0.561 234 P HA 0.260 nan 4.420 nan 0.000 0.265 234 P C 1.053 178.464 177.300 0.184 0.000 1.193 234 P CA 1.259 64.420 63.100 0.103 0.000 0.765 234 P CB 0.051 31.792 31.700 0.069 0.000 0.823 235 G N 0.753 109.623 108.800 0.117 0.000 2.184 235 G HA2 -0.227 3.736 3.960 0.004 0.000 0.264 235 G HA3 -0.227 3.736 3.960 0.004 0.000 0.264 235 G C 0.107 174.965 174.900 -0.071 0.000 0.975 235 G CA 0.186 45.313 45.100 0.045 0.000 0.642 235 G HN 0.654 nan 8.290 nan 0.000 0.536 236 H N -0.137 118.947 119.070 0.023 0.000 2.754 236 H HA 0.886 5.444 4.556 0.004 0.000 0.352 236 H C 0.438 175.771 175.328 0.009 0.000 1.213 236 H CA 0.271 56.327 56.048 0.013 0.000 1.244 236 H CB 1.867 31.626 29.762 -0.005 0.000 1.843 236 H HN 0.788 nan 8.280 nan 0.000 0.587 237 A N 0.485 123.376 122.820 0.118 0.000 2.583 237 A HA 0.617 4.940 4.320 0.004 0.000 0.289 237 A C -1.699 175.907 177.584 0.037 0.000 1.151 237 A CA -0.574 51.501 52.037 0.063 0.000 0.695 237 A CB 1.296 20.326 19.000 0.050 0.000 1.290 237 A HN 0.419 nan 8.150 nan 0.000 0.419 238 I N 1.868 122.456 120.570 0.030 0.000 2.362 238 I HA 0.430 4.602 4.170 0.004 0.000 0.289 238 I C -0.011 176.116 176.117 0.018 0.000 0.994 238 I CA -0.430 60.882 61.300 0.020 0.000 1.158 238 I CB 0.711 38.720 38.000 0.014 0.000 1.315 238 I HN 0.693 nan 8.210 nan 0.000 0.451 239 I N 4.411 124.987 120.570 0.011 0.000 2.707 239 I HA 0.830 5.003 4.170 0.004 0.000 0.309 239 I C 0.123 176.258 176.117 0.030 0.000 1.001 239 I CA -0.542 60.744 61.300 -0.024 0.000 1.129 239 I CB 2.044 39.997 38.000 -0.078 0.000 1.308 239 I HN 0.659 nan 8.210 nan 0.000 0.466 240 C N 4.102 123.390 119.300 -0.019 0.000 2.668 240 C HA 0.946 5.408 4.460 0.004 0.000 0.355 240 C C -0.307 174.686 174.990 0.005 0.000 1.277 240 C CA -0.819 58.212 59.018 0.022 0.000 1.787 240 C CB 1.533 29.288 27.740 0.024 0.000 2.233 240 C HN 1.134 nan 8.230 nan 0.000 0.495 241 M N 1.131 120.743 119.600 0.020 0.000 2.484 241 M HA 0.270 4.753 4.480 0.004 0.000 0.292 241 M C -1.108 175.220 176.300 0.046 0.000 1.123 241 M CA -0.172 55.154 55.300 0.043 0.000 0.910 241 M CB 1.268 33.929 32.600 0.103 0.000 1.782 241 M HN 1.144 nan 8.290 nan 0.000 0.512 242 H N 4.949 124.027 119.070 0.014 0.000 3.094 242 H HA 0.093 4.651 4.556 0.004 0.000 0.320 242 H C -2.107 173.247 175.328 0.044 0.000 1.000 242 H CA 0.268 56.380 56.048 0.107 0.000 1.413 242 H CB 0.959 30.891 29.762 0.283 0.000 1.405 242 H HN 0.432 nan 8.280 nan 0.000 0.586 243 P HA -0.189 nan 4.420 nan 0.000 0.216 243 P C 1.773 179.109 177.300 0.061 0.000 1.153 243 P CA 0.917 64.098 63.100 0.135 0.000 0.858 243 P CB 0.288 32.110 31.700 0.203 0.000 0.789 244 V N -0.528 119.373 119.914 -0.022 0.000 2.407 244 V HA -0.260 3.863 4.120 0.004 0.000 0.248 244 V C 2.698 178.796 176.094 0.007 0.000 1.055 244 V CA 1.940 64.162 62.300 -0.131 0.000 1.049 244 V CB -1.141 30.467 31.823 -0.359 0.000 0.662 244 V HN 0.117 nan 8.190 nan 0.000 0.455 245 Q N 0.678 120.512 119.800 0.057 0.000 2.020 245 Q HA -0.147 4.196 4.340 0.004 0.000 0.202 245 Q C 2.194 178.236 176.000 0.070 0.000 0.982 245 Q CA 2.331 58.148 55.803 0.022 0.000 0.838 245 Q CB -0.683 28.059 28.738 0.007 0.000 0.899 245 Q HN 0.554 nan 8.270 nan 0.000 0.423 246 A N 0.315 123.183 122.820 0.079 0.000 1.892 246 A HA -0.331 3.991 4.320 0.004 0.000 0.218 246 A C 2.067 179.719 177.584 0.114 0.000 1.188 246 A CA 2.009 54.114 52.037 0.114 0.000 0.631 246 A CB -0.811 17.997 19.000 -0.321 0.000 0.822 246 A HN 0.621 nan 8.150 nan 0.000 0.447 247 Q N -0.666 119.158 119.800 0.041 0.000 2.030 247 Q HA -0.170 4.172 4.340 0.004 0.000 0.204 247 Q C 2.184 178.249 176.000 0.108 0.000 0.986 247 Q CA 1.715 57.564 55.803 0.076 0.000 0.843 247 Q CB -0.367 28.419 28.738 0.080 0.000 0.904 247 Q HN 0.711 nan 8.270 nan 0.000 0.420 248 L N -0.440 120.850 121.223 0.112 0.000 2.017 248 L HA -0.188 4.154 4.340 0.004 0.000 0.208 248 L C 2.304 179.290 176.870 0.194 0.000 1.073 248 L CA 1.176 56.092 54.840 0.127 0.000 0.745 248 L CB -0.496 41.621 42.059 0.097 0.000 0.894 248 L HN 0.225 nan 8.230 nan 0.000 0.432 249 F N 0.411 120.374 119.950 0.021 0.000 2.065 249 F HA -0.324 4.206 4.527 0.004 0.000 0.298 249 F C 2.473 178.327 175.800 0.091 0.000 1.112 249 F CA 1.655 59.664 58.000 0.015 0.000 1.212 249 F CB -0.024 38.907 39.000 -0.115 0.000 0.975 249 F HN -0.037 nan 8.300 nan 0.000 0.476 250 M N -0.328 119.314 119.600 0.069 0.000 2.630 250 M HA -0.149 4.334 4.480 0.004 0.000 0.254 250 M C 1.692 177.991 176.300 -0.001 0.000 1.092 250 M CA 0.920 56.211 55.300 -0.015 0.000 1.087 250 M CB -0.245 32.428 32.600 0.122 0.000 1.453 250 M HN 0.300 nan 8.290 nan 0.000 0.509 251 Q N 0.136 119.955 119.800 0.033 0.000 2.378 251 Q HA -0.055 4.287 4.340 0.004 0.000 0.205 251 Q C 0.469 176.461 176.000 -0.013 0.000 0.954 251 Q CA 0.460 56.279 55.803 0.026 0.000 0.901 251 Q CB 0.236 29.005 28.738 0.052 0.000 0.981 251 Q HN 0.343 nan 8.270 nan 0.000 0.483 252 D N -0.706 119.669 120.400 -0.042 0.000 2.295 252 D HA 0.114 4.757 4.640 0.004 0.000 0.248 252 D C 0.382 176.593 176.300 -0.147 0.000 1.154 252 D CA -0.027 53.896 54.000 -0.129 0.000 0.857 252 D CB 1.483 42.157 40.800 -0.210 0.000 1.117 252 D HN 0.140 nan 8.370 nan 0.000 0.468 253 A N 5.163 127.907 122.820 -0.127 0.000 2.076 253 A HA -0.187 4.136 4.320 0.004 0.000 0.220 253 A C 2.071 179.615 177.584 -0.066 0.000 1.160 253 A CA 1.022 53.010 52.037 -0.082 0.000 0.653 253 A CB -0.155 18.805 19.000 -0.068 0.000 0.801 253 A HN 0.689 nan 8.150 nan 0.000 0.455 254 R N -0.950 119.488 120.500 -0.104 0.000 2.115 254 R HA -0.052 4.291 4.340 0.004 0.000 0.230 254 R C 1.869 178.240 176.300 0.119 0.000 1.111 254 R CA 1.381 57.486 56.100 0.008 0.000 0.976 254 R CB -0.331 29.963 30.300 -0.009 0.000 0.870 254 R HN 0.415 nan 8.270 nan 0.000 0.445 255 V N 0.694 120.599 119.914 -0.015 0.000 2.488 255 V HA -0.164 3.958 4.120 0.004 0.000 0.246 255 V C 2.240 178.321 176.094 -0.021 0.000 1.046 255 V CA 1.351 63.609 62.300 -0.071 0.000 1.053 255 V CB -0.323 31.188 31.823 -0.521 0.000 0.679 255 V HN 0.245 nan 8.190 nan 0.000 0.458 256 Q N -0.096 119.686 119.800 -0.030 0.000 2.124 256 Q HA -0.260 4.083 4.340 0.004 0.000 0.202 256 Q C 2.206 178.222 176.000 0.027 0.000 0.977 256 Q CA 1.843 57.649 55.803 0.005 0.000 0.850 256 Q CB -0.328 28.407 28.738 -0.006 0.000 0.901 256 Q HN 0.680 nan 8.270 nan 0.000 0.429 257 Q N 0.660 120.479 119.800 0.032 0.000 2.020 257 Q HA -0.074 4.269 4.340 0.004 0.000 0.202 257 Q C 2.118 178.157 176.000 0.064 0.000 0.982 257 Q CA 1.286 57.115 55.803 0.044 0.000 0.838 257 Q CB -0.336 28.428 28.738 0.045 0.000 0.899 257 Q HN 0.376 nan 8.270 nan 0.000 0.423 258 L N -0.226 121.053 121.223 0.094 0.000 2.127 258 L HA -0.191 4.151 4.340 0.004 0.000 0.211 258 L C 2.361 179.285 176.870 0.090 0.000 1.089 258 L CA 0.870 55.775 54.840 0.109 0.000 0.757 258 L CB -0.456 41.700 42.059 0.161 0.000 0.899 258 L HN 0.273 nan 8.230 nan 0.000 0.434 259 L N -0.869 120.403 121.223 0.083 0.000 2.027 259 L HA -0.165 4.178 4.340 0.004 0.000 0.206 259 L C 2.901 179.808 176.870 0.062 0.000 1.074 259 L CA 1.186 56.076 54.840 0.083 0.000 0.745 259 L CB -0.384 41.731 42.059 0.093 0.000 0.898 259 L HN 0.173 nan 8.230 nan 0.000 0.433 260 R N -0.037 120.493 120.500 0.051 0.000 2.073 260 R HA -0.158 4.184 4.340 0.004 0.000 0.234 260 R C 1.295 177.618 176.300 0.038 0.000 1.134 260 R CA 1.515 57.638 56.100 0.039 0.000 0.952 260 R CB -0.336 29.983 30.300 0.032 0.000 0.850 260 R HN 0.310 nan 8.270 nan 0.000 0.433 261 D N 0.296 120.723 120.400 0.045 0.000 2.336 261 D HA -0.004 4.639 4.640 0.004 0.000 0.229 261 D C -0.033 176.298 176.300 0.051 0.000 1.061 261 D CA 0.225 54.251 54.000 0.045 0.000 0.875 261 D CB -0.159 40.670 40.800 0.048 0.000 0.904 261 D HN 0.155 nan 8.370 nan 0.000 0.525 262 N N -0.636 118.096 118.700 0.052 0.000 2.708 262 N HA -0.175 4.568 4.740 0.004 0.000 0.251 262 N C 1.128 176.682 175.510 0.073 0.000 1.123 262 N CA 0.445 53.525 53.050 0.050 0.000 0.739 262 N CB -1.356 37.150 38.487 0.031 0.000 1.113 262 N HN 0.193 nan 8.380 nan 0.000 0.561 263 V N 0.161 120.131 119.914 0.095 0.000 2.379 263 V HA -0.029 4.094 4.120 0.004 0.000 0.245 263 V C 1.484 177.653 176.094 0.126 0.000 1.044 263 V CA 1.973 64.354 62.300 0.135 0.000 1.036 263 V CB -0.274 31.638 31.823 0.147 0.000 0.664 263 V HN 0.521 nan 8.190 nan 0.000 0.453 264 I N -2.433 118.179 120.570 0.070 0.000 2.957 264 I HA 0.666 4.839 4.170 0.004 0.000 0.310 264 I C -0.399 175.769 176.117 0.085 0.000 1.063 264 I CA -1.099 60.213 61.300 0.021 0.000 1.033 264 I CB 2.208 40.143 38.000 -0.107 0.000 1.230 264 I HN -0.207 nan 8.210 nan 0.000 0.447 265 R N 1.786 122.356 120.500 0.117 0.000 2.513 265 R HA 0.257 4.599 4.340 0.004 0.000 0.301 265 R C -1.441 174.961 176.300 0.170 0.000 0.968 265 R CA -0.795 55.370 56.100 0.108 0.000 0.872 265 R CB 1.524 31.835 30.300 0.018 0.000 1.177 265 R HN 0.691 nan 8.270 nan 0.000 0.444 266 D N 4.509 125.000 120.400 0.152 0.000 2.342 266 D HA 0.073 4.716 4.640 0.004 0.000 0.260 266 D C -0.308 175.921 176.300 -0.119 0.000 1.278 266 D CA 0.226 54.218 54.000 -0.012 0.000 0.910 266 D CB 0.475 41.334 40.800 0.097 0.000 1.079 266 D HN 0.325 nan 8.370 nan 0.000 0.496 267 L N 2.711 123.782 121.223 -0.253 0.000 2.416 267 L HA 0.575 4.917 4.340 0.004 0.000 0.262 267 L C 1.637 178.265 176.870 -0.403 0.000 1.093 267 L CA -1.015 53.681 54.840 -0.241 0.000 0.801 267 L CB 1.255 43.193 42.059 -0.201 0.000 1.191 267 L HN 0.393 nan 8.230 nan 0.000 0.459 268 G N -0.337 108.238 108.800 -0.375 0.000 2.666 268 G HA2 0.138 4.100 3.960 0.004 0.000 0.207 268 G HA3 0.138 4.100 3.960 0.004 0.000 0.207 268 G C -0.249 174.175 174.900 -0.793 0.000 1.481 268 G CA -0.479 44.296 45.100 -0.542 0.000 1.071 268 G HN 0.628 nan 8.290 nan 0.000 0.572 269 Q N 0.557 120.035 119.800 -0.536 0.000 2.641 269 Q HA 0.186 4.529 4.340 0.004 0.000 0.225 269 Q C 0.654 176.510 176.000 -0.240 0.000 1.309 269 Q CA 0.007 55.603 55.803 -0.345 0.000 0.935 269 Q CB 0.331 28.976 28.738 -0.156 0.000 1.557 269 Q HN 0.490 nan 8.270 nan 0.000 0.563 270 S N -1.173 114.374 115.700 -0.256 0.000 2.603 270 S HA 0.189 4.661 4.470 0.004 0.000 0.232 270 S C 0.933 175.443 174.600 -0.151 0.000 1.016 270 S CA -0.223 57.869 58.200 -0.180 0.000 0.976 270 S CB 0.730 63.825 63.200 -0.175 0.000 0.921 270 S HN 0.466 nan 8.310 nan 0.000 0.516 271 G N 1.590 110.290 108.800 -0.167 0.000 2.611 271 G HA2 0.416 4.378 3.960 0.004 0.000 0.273 271 G HA3 0.416 4.378 3.960 0.004 0.000 0.273 271 G C -0.251 174.563 174.900 -0.143 0.000 1.305 271 G CA -1.033 43.981 45.100 -0.143 0.000 1.010 271 G HN 0.379 nan 8.290 nan 0.000 0.509 272 R N -1.295 119.116 120.500 -0.148 0.000 2.640 272 R HA 0.135 4.478 4.340 0.004 0.000 0.270 272 R C -0.264 175.947 176.300 -0.149 0.000 1.024 272 R CA -0.294 55.709 56.100 -0.162 0.000 1.085 272 R CB 0.617 30.788 30.300 -0.215 0.000 0.963 272 R HN 0.157 nan 8.270 nan 0.000 0.426 273 V N 2.758 122.606 119.914 -0.109 0.000 2.470 273 V HA 0.370 4.493 4.120 0.004 0.000 0.276 273 V C 0.399 176.492 176.094 -0.001 0.000 1.040 273 V CA 0.069 62.337 62.300 -0.052 0.000 1.008 273 V CB 0.860 32.663 31.823 -0.033 0.000 0.990 273 V HN 0.914 nan 8.190 nan 0.000 0.477 274 A N 4.139 127.027 122.820 0.113 0.000 2.539 274 A HA 0.812 5.134 4.320 0.004 0.000 0.296 274 A C -0.451 177.464 177.584 0.552 0.000 1.073 274 A CA -0.590 51.623 52.037 0.293 0.000 0.700 274 A CB 1.942 21.120 19.000 0.298 0.000 1.296 274 A HN 0.638 nan 8.150 nan 0.000 0.405 275 S N 2.477 118.449 115.700 0.453 0.000 2.437 275 S HA 0.616 5.088 4.470 0.004 0.000 0.305 275 S C -2.740 171.942 174.600 0.138 0.000 1.109 275 S CA -1.023 57.353 58.200 0.294 0.000 1.099 275 S CB 1.159 64.498 63.200 0.231 0.000 1.004 275 S HN 0.514 nan 8.310 nan 0.000 0.475 276 P HA 0.163 nan 4.420 nan 0.000 0.271 276 P C 0.293 177.504 177.300 -0.147 0.000 1.218 276 P CA -0.220 62.567 63.100 -0.521 0.000 0.780 276 P CB 0.415 31.722 31.700 -0.655 0.000 0.901 277 T N -1.193 113.321 114.554 -0.068 0.000 2.880 277 T HA 0.494 4.846 4.350 0.004 0.000 0.279 277 T C 1.422 176.095 174.700 -0.044 0.000 0.990 277 T CA -0.159 61.937 62.100 -0.008 0.000 0.938 277 T CB 0.327 69.274 68.868 0.132 0.000 1.206 277 T HN 0.234 nan 8.240 nan 0.000 0.573 278 A N 0.652 123.438 122.820 -0.057 0.000 2.024 278 A HA -0.033 4.290 4.320 0.004 0.000 0.220 278 A C 2.397 179.971 177.584 -0.017 0.000 1.164 278 A CA 1.939 53.943 52.037 -0.055 0.000 0.643 278 A CB -1.447 17.504 19.000 -0.081 0.000 0.806 278 A HN 1.129 nan 8.150 nan 0.000 0.451 279 S N -1.120 114.580 115.700 -0.000 0.000 2.603 279 S HA 0.149 4.622 4.470 0.004 0.000 0.220 279 S C 1.173 175.785 174.600 0.019 0.000 0.967 279 S CA 0.447 58.656 58.200 0.014 0.000 0.920 279 S CB -0.424 62.792 63.200 0.027 0.000 0.773 279 S HN 0.680 nan 8.310 nan 0.000 0.529 280 I N 0.273 120.850 120.570 0.011 0.000 4.300 280 I HA -0.395 3.778 4.170 0.004 0.000 0.079 280 I C 1.578 177.719 176.117 0.039 0.000 0.562 280 I CA 2.413 63.743 61.300 0.049 0.000 1.126 280 I CB -2.073 36.002 38.000 0.123 0.000 1.002 280 I HN 0.649 nan 8.210 nan 0.000 0.174 281 R N 1.008 121.558 120.500 0.083 0.000 2.317 281 R HA 0.307 4.650 4.340 0.004 0.000 0.208 281 R C 0.333 176.799 176.300 0.276 0.000 0.914 281 R CA 0.648 56.881 56.100 0.221 0.000 1.060 281 R CB -0.103 30.291 30.300 0.157 0.000 1.015 281 R HN 0.346 nan 8.270 nan 0.000 0.498 282 T N 1.027 115.659 114.554 0.130 0.000 2.779 282 T HA 0.330 4.683 4.350 0.004 0.000 0.280 282 T C -1.406 173.437 174.700 0.239 0.000 0.987 282 T CA -0.451 61.806 62.100 0.261 0.000 0.966 282 T CB 0.732 69.705 68.868 0.174 0.000 0.933 282 T HN 0.176 nan 8.240 nan 0.000 0.442 283 W N 2.770 124.268 121.300 0.330 0.000 2.606 283 W HA 0.633 5.295 4.660 0.005 0.000 0.332 283 W C -0.498 176.239 176.519 0.363 0.000 1.052 283 W CA -1.240 56.291 57.345 0.310 0.000 1.223 283 W CB 0.786 30.371 29.460 0.207 0.000 1.383 283 W HN 0.579 nan 8.180 nan 0.000 0.524 284 F N 4.126 124.274 119.950 0.329 0.000 2.415 284 F HA 0.654 5.183 4.527 0.005 0.000 0.348 284 F C -0.733 175.100 175.800 0.055 0.000 1.119 284 F CA -0.892 57.134 58.000 0.043 0.000 1.069 284 F CB 0.521 39.551 39.000 0.051 0.000 1.124 284 F HN 0.096 nan 8.300 nan 0.000 0.472 285 I N 5.372 125.568 120.570 -0.624 0.000 2.389 285 I HA 0.214 4.386 4.170 0.004 0.000 0.288 285 I C -0.473 175.077 176.117 -0.943 0.000 0.999 285 I CA -0.576 60.408 61.300 -0.525 0.000 1.129 285 I CB 1.186 39.032 38.000 -0.257 0.000 1.288 285 I HN 0.472 nan 8.210 nan 0.000 0.444 286 D N 5.346 125.314 120.400 -0.720 0.000 2.455 286 D HA 0.019 4.662 4.640 0.004 0.000 0.241 286 D C 0.034 176.171 176.300 -0.271 0.000 1.138 286 D CA 0.844 54.562 54.000 -0.470 0.000 0.877 286 D CB 0.462 41.239 40.800 -0.038 0.000 1.187 286 D HN 0.480 nan 8.370 nan 0.000 0.451 287 D N 1.309 121.584 120.400 -0.208 0.000 2.689 287 D HA -0.271 4.372 4.640 0.004 0.000 0.237 287 D C -0.716 175.520 176.300 -0.107 0.000 1.148 287 D CA 0.901 54.822 54.000 -0.132 0.000 0.656 287 D CB -1.241 39.516 40.800 -0.071 0.000 1.050 287 D HN 0.505 nan 8.370 nan 0.000 0.426 288 H N -0.479 118.398 119.070 -0.322 0.000 2.806 288 H HA 0.271 4.830 4.556 0.004 0.000 0.367 288 H C 0.491 175.589 175.328 -0.383 0.000 1.136 288 H CA -0.721 55.150 56.048 -0.295 0.000 1.178 288 H CB 1.228 30.825 29.762 -0.276 0.000 1.718 288 H HN -0.291 nan 8.280 nan 0.000 0.540 289 D N 2.446 122.330 120.400 -0.860 0.000 2.309 289 D HA -0.101 4.541 4.640 0.004 0.000 0.212 289 D C -0.287 175.289 176.300 -1.208 0.000 0.968 289 D CA 1.391 54.766 54.000 -1.042 0.000 0.882 289 D CB 0.326 40.367 40.800 -1.267 0.000 0.918 289 D HN 0.360 nan 8.370 nan 0.000 0.503 290 Y N -1.415 118.504 120.300 -0.635 0.000 2.512 290 Y HA 0.352 4.905 4.550 0.004 0.000 0.348 290 Y C -0.045 175.714 175.900 -0.234 0.000 0.990 290 Y CA -1.279 56.609 58.100 -0.353 0.000 1.033 290 Y CB 1.080 39.327 38.460 -0.354 0.000 1.259 290 Y HN -0.336 nan 8.280 nan 0.000 0.461 291 F N 2.070 122.037 119.950 0.028 0.000 2.410 291 F HA 0.428 4.957 4.527 0.004 0.000 0.334 291 F C 0.052 175.908 175.800 0.093 0.000 1.134 291 F CA -0.186 57.875 58.000 0.101 0.000 1.227 291 F CB 0.553 39.615 39.000 0.104 0.000 1.194 291 F HN 0.176 nan 8.300 nan 0.000 0.571 292 I N 2.458 123.255 120.570 0.379 0.000 2.389 292 I HA 0.262 4.435 4.170 0.004 0.000 0.288 292 I C -0.502 175.877 176.117 0.437 0.000 0.999 292 I CA -0.601 60.877 61.300 0.296 0.000 1.129 292 I CB 1.569 39.723 38.000 0.256 0.000 1.288 292 I HN 0.447 nan 8.210 nan 0.000 0.444 293 K N 5.640 126.260 120.400 0.368 0.000 2.449 293 K HA 0.656 4.978 4.320 0.004 0.000 0.257 293 K C -0.454 176.326 176.600 0.300 0.000 0.989 293 K CA -0.361 56.119 56.287 0.322 0.000 0.916 293 K CB 1.374 33.990 32.500 0.193 0.000 1.136 293 K HN 0.798 nan 8.250 nan 0.000 0.439 294 G N 1.447 110.433 108.800 0.310 0.000 2.511 294 G HA2 0.313 4.275 3.960 0.004 0.000 0.318 294 G HA3 0.313 4.275 3.960 0.004 0.000 0.318 294 G C -0.871 174.104 174.900 0.125 0.000 1.210 294 G CA -0.663 44.559 45.100 0.203 0.000 0.969 294 G HN 0.542 nan 8.290 nan 0.000 0.484 295 S N -1.001 114.712 115.700 0.022 0.000 2.572 295 S HA 0.368 4.841 4.470 0.004 0.000 0.279 295 S C -0.472 174.106 174.600 -0.038 0.000 1.341 295 S CA 0.017 58.194 58.200 -0.039 0.000 1.043 295 S CB 1.147 64.272 63.200 -0.125 0.000 0.887 295 S HN 0.572 nan 8.310 nan 0.000 0.516 296 L N 3.383 124.560 121.223 -0.075 0.000 2.568 296 L HA 0.404 4.747 4.340 0.004 0.000 0.262 296 L C -0.525 176.261 176.870 -0.140 0.000 0.980 296 L CA -0.276 54.483 54.840 -0.136 0.000 0.882 296 L CB 1.181 43.127 42.059 -0.188 0.000 1.198 296 L HN 0.548 nan 8.230 nan 0.000 0.425 297 N N 3.457 122.084 118.700 -0.122 0.000 3.210 297 N HA 0.253 4.995 4.740 0.004 0.000 0.314 297 N C -1.392 174.056 175.510 -0.103 0.000 1.291 297 N CA 0.281 53.276 53.050 -0.091 0.000 1.202 297 N CB -0.244 38.211 38.487 -0.053 0.000 1.475 297 N HN 0.323 nan 8.380 nan 0.000 0.554 298 V N 0.922 120.737 119.914 -0.166 0.000 2.733 298 V HA 0.340 4.463 4.120 0.004 0.000 0.306 298 V C 0.250 176.187 176.094 -0.261 0.000 1.084 298 V CA -1.040 61.112 62.300 -0.245 0.000 0.905 298 V CB 2.065 33.635 31.823 -0.421 0.000 1.010 298 V HN 0.189 nan 8.190 nan 0.000 0.424 299 R N 4.365 124.727 120.500 -0.230 0.000 2.351 299 R HA 0.347 4.690 4.340 0.004 0.000 0.321 299 R C -0.832 175.328 176.300 -0.234 0.000 1.182 299 R CA -0.222 55.770 56.100 -0.180 0.000 1.011 299 R CB 0.052 30.285 30.300 -0.112 0.000 1.048 299 R HN 0.508 nan 8.270 nan 0.000 0.490 300 I N 4.702 125.145 120.570 -0.211 0.000 2.304 300 I HA 0.035 4.208 4.170 0.004 0.000 0.291 300 I C 0.921 176.976 176.117 -0.104 0.000 1.018 300 I CA -0.003 61.181 61.300 -0.193 0.000 1.260 300 I CB 0.870 38.761 38.000 -0.182 0.000 1.390 300 I HN 0.801 nan 8.210 nan 0.000 0.475 301 T N 2.591 117.094 114.554 -0.086 0.000 3.795 301 T HA -0.310 4.043 4.350 0.004 0.000 0.370 301 T C 0.530 175.253 174.700 0.039 0.000 0.761 301 T CA 0.988 63.066 62.100 -0.037 0.000 1.923 301 T CB -2.196 66.570 68.868 -0.169 0.000 1.795 301 T HN 0.846 nan 8.240 nan 0.000 0.762 302 N N -1.560 117.145 118.700 0.009 0.000 2.746 302 N HA -0.150 4.592 4.740 0.004 0.000 0.250 302 N C -0.412 175.099 175.510 0.003 0.000 1.055 302 N CA 1.216 54.272 53.050 0.010 0.000 0.699 302 N CB -1.476 37.031 38.487 0.034 0.000 0.919 302 N HN 1.353 nan 8.380 nan 0.000 0.548 303 C N 0.719 120.005 119.300 -0.022 0.000 2.968 303 C HA 0.398 4.861 4.460 0.004 0.000 0.389 303 C C -0.208 174.753 174.990 -0.049 0.000 1.068 303 C CA -0.783 58.224 59.018 -0.018 0.000 1.272 303 C CB -0.084 27.656 27.740 0.001 0.000 1.711 303 C HN 0.221 nan 8.230 nan 0.000 0.501 304 V N 7.464 127.349 119.914 -0.047 0.000 2.599 304 V HA 0.255 4.377 4.120 0.004 0.000 0.300 304 V C 0.928 176.988 176.094 -0.057 0.000 1.034 304 V CA 0.481 62.741 62.300 -0.066 0.000 1.115 304 V CB 0.495 32.289 31.823 -0.048 0.000 0.934 304 V HN 0.704 nan 8.190 nan 0.000 0.485 305 R N 4.091 124.545 120.500 -0.076 0.000 4.306 305 R HA 0.261 4.604 4.340 0.004 0.000 0.266 305 R C 0.044 176.308 176.300 -0.059 0.000 1.624 305 R CA -0.255 55.812 56.100 -0.054 0.000 1.487 305 R CB -0.322 29.949 30.300 -0.048 0.000 1.441 305 R HN 0.611 nan 8.270 nan 0.000 0.750 306 K N 1.027 121.388 120.400 -0.066 0.000 2.270 306 K HA 0.123 4.446 4.320 0.004 0.000 0.276 306 K C 0.268 176.810 176.600 -0.096 0.000 1.023 306 K CA -0.226 56.008 56.287 -0.089 0.000 0.955 306 K CB 0.649 33.097 32.500 -0.086 0.000 0.975 306 K HN -0.056 nan 8.250 nan 0.000 0.471 307 N N 2.089 120.720 118.700 -0.114 0.000 3.083 307 N HA 0.135 4.878 4.740 0.004 0.000 0.260 307 N C -0.837 174.547 175.510 -0.210 0.000 1.163 307 N CA -0.151 52.822 53.050 -0.129 0.000 1.060 307 N CB 0.632 39.071 38.487 -0.079 0.000 1.345 307 N HN 0.629 nan 8.380 nan 0.000 0.515 308 A N 1.842 124.469 122.820 -0.322 0.000 2.587 308 A HA -0.104 4.218 4.320 0.004 0.000 0.233 308 A C 1.674 178.890 177.584 -0.613 0.000 1.049 308 A CA -0.238 51.466 52.037 -0.555 0.000 0.754 308 A CB -0.024 18.363 19.000 -1.022 0.000 0.977 308 A HN 0.806 nan 8.150 nan 0.000 0.509 309 W N 3.053 124.023 121.300 -0.551 0.000 2.331 309 W HA -0.326 4.337 4.660 0.004 0.000 0.291 309 W C 1.216 177.545 176.519 -0.318 0.000 1.214 309 W CA 1.989 59.094 57.345 -0.400 0.000 1.228 309 W CB -1.052 28.146 29.460 -0.437 0.000 1.135 309 W HN 0.930 nan 8.180 nan 0.000 0.537 310 Y N -0.035 119.460 120.300 -1.343 0.000 2.519 310 Y HA 0.252 4.804 4.550 0.004 0.000 0.287 310 Y C 2.192 177.765 175.900 -0.546 0.000 1.128 310 Y CA 1.072 58.369 58.100 -1.340 0.000 1.282 310 Y CB -1.124 36.426 38.460 -1.517 0.000 1.027 310 Y HN 0.007 nan 8.280 nan 0.000 0.551 311 E N 1.213 121.121 120.200 -0.486 0.000 2.051 311 E HA -0.068 4.285 4.350 0.004 0.000 0.189 311 E C 2.062 178.597 176.600 -0.109 0.000 0.979 311 E CA 0.933 57.216 56.400 -0.194 0.000 0.803 311 E CB -0.147 29.422 29.700 -0.217 0.000 0.761 311 E HN 0.440 nan 8.360 nan 0.000 0.451 312 L N 1.369 122.513 121.223 -0.131 0.000 2.021 312 L HA -0.272 4.071 4.340 0.004 0.000 0.215 312 L C 2.462 179.343 176.870 0.018 0.000 1.074 312 L CA 1.149 55.974 54.840 -0.026 0.000 0.760 312 L CB -0.581 41.471 42.059 -0.011 0.000 0.889 312 L HN 0.187 nan 8.230 nan 0.000 0.433 313 E N 0.196 120.394 120.200 -0.003 0.000 2.021 313 E HA -0.239 4.114 4.350 0.004 0.000 0.200 313 E C 2.315 178.934 176.600 0.032 0.000 1.015 313 E CA 1.874 58.296 56.400 0.038 0.000 0.824 313 E CB -0.599 29.115 29.700 0.023 0.000 0.762 313 E HN 0.567 nan 8.360 nan 0.000 0.454 314 S N 0.593 116.293 115.700 -0.000 0.000 2.383 314 S HA -0.184 4.288 4.470 0.004 0.000 0.229 314 S C 2.153 176.783 174.600 0.051 0.000 1.030 314 S CA 1.977 60.188 58.200 0.019 0.000 1.002 314 S CB -0.877 62.330 63.200 0.011 0.000 0.829 314 S HN 0.171 nan 8.310 nan 0.000 0.467 315 T N 2.341 116.942 114.554 0.079 0.000 2.649 315 T HA -0.128 4.224 4.350 0.004 0.000 0.268 315 T C 1.843 176.642 174.700 0.164 0.000 1.036 315 T CA 1.869 64.064 62.100 0.157 0.000 1.157 315 T CB -0.807 68.150 68.868 0.150 0.000 0.861 315 T HN 0.363 nan 8.240 nan 0.000 0.445 316 V N 1.392 121.376 119.914 0.116 0.000 2.358 316 V HA -0.088 4.035 4.120 0.004 0.000 0.246 316 V C 2.492 178.629 176.094 0.071 0.000 1.047 316 V CA 1.367 63.731 62.300 0.107 0.000 1.035 316 V CB -0.744 31.137 31.823 0.097 0.000 0.658 316 V HN 0.458 nan 8.190 nan 0.000 0.452 317 L N -0.625 120.625 121.223 0.045 0.000 2.046 317 L HA -0.165 4.178 4.340 0.004 0.000 0.208 317 L C 2.409 179.251 176.870 -0.046 0.000 1.077 317 L CA 1.717 56.564 54.840 0.011 0.000 0.747 317 L CB -0.598 41.468 42.059 0.012 0.000 0.896 317 L HN 0.256 nan 8.230 nan 0.000 0.432 318 I N 0.167 120.691 120.570 -0.076 0.000 2.315 318 I HA -0.286 3.887 4.170 0.004 0.000 0.248 318 I C 2.220 178.144 176.117 -0.321 0.000 1.117 318 I CA 1.444 62.610 61.300 -0.224 0.000 1.404 318 I CB -0.250 37.602 38.000 -0.245 0.000 1.071 318 I HN 0.289 nan 8.210 nan 0.000 0.419 319 D N 0.811 121.116 120.400 -0.158 0.000 2.097 319 D HA -0.242 4.401 4.640 0.004 0.000 0.195 319 D C 2.349 178.684 176.300 0.059 0.000 0.989 319 D CA 1.345 55.389 54.000 0.072 0.000 0.827 319 D CB -0.006 40.963 40.800 0.281 0.000 0.966 319 D HN 0.039 nan 8.370 nan 0.000 0.456 320 R N -0.534 119.980 120.500 0.024 0.000 2.083 320 R HA -0.165 4.177 4.340 0.004 0.000 0.237 320 R C 2.354 178.627 176.300 -0.044 0.000 1.137 320 R CA 1.375 57.482 56.100 0.011 0.000 0.951 320 R CB -0.504 29.804 30.300 0.012 0.000 0.851 320 R HN 0.294 nan 8.270 nan 0.000 0.434 321 L N 0.037 121.181 121.223 -0.131 0.000 1.994 321 L HA -0.137 4.206 4.340 0.004 0.000 0.208 321 L C 1.908 178.589 176.870 -0.315 0.000 1.071 321 L CA 1.803 56.470 54.840 -0.288 0.000 0.745 321 L CB -0.610 41.183 42.059 -0.443 0.000 0.892 321 L HN 0.110 nan 8.230 nan 0.000 0.431 322 F N -0.162 119.619 119.950 -0.282 0.000 2.307 322 F HA -0.166 4.364 4.527 0.004 0.000 0.301 322 F C 2.719 178.463 175.800 -0.092 0.000 1.076 322 F CA 1.550 59.426 58.000 -0.207 0.000 1.383 322 F CB -0.354 38.521 39.000 -0.208 0.000 1.055 322 F HN 0.093 nan 8.300 nan 0.000 0.526 323 R N 0.082 120.641 120.500 0.098 0.000 2.062 323 R HA -0.130 4.213 4.340 0.004 0.000 0.229 323 R C 2.237 178.549 176.300 0.020 0.000 1.128 323 R CA 1.385 57.527 56.100 0.070 0.000 0.960 323 R CB -0.166 30.176 30.300 0.070 0.000 0.855 323 R HN 0.305 nan 8.270 nan 0.000 0.432 324 Q N 0.389 120.178 119.800 -0.019 0.000 2.014 324 Q HA -0.222 4.120 4.340 0.004 0.000 0.207 324 Q C 2.286 178.292 176.000 0.009 0.000 0.993 324 Q CA 1.845 57.642 55.803 -0.010 0.000 0.850 324 Q CB -0.339 28.389 28.738 -0.018 0.000 0.916 324 Q HN 0.343 nan 8.270 nan 0.000 0.417 325 L N 0.424 121.591 121.223 -0.094 0.000 2.013 325 L HA -0.249 4.094 4.340 0.004 0.000 0.212 325 L C 2.476 179.338 176.870 -0.013 0.000 1.073 325 L CA 1.154 55.918 54.840 -0.128 0.000 0.753 325 L CB -0.520 41.259 42.059 -0.467 0.000 0.890 325 L HN 0.264 nan 8.230 nan 0.000 0.432 326 L N -0.681 120.545 121.223 0.005 0.000 2.056 326 L HA -0.225 4.118 4.340 0.004 0.000 0.207 326 L C 2.323 179.210 176.870 0.028 0.000 1.078 326 L CA 1.184 56.049 54.840 0.042 0.000 0.749 326 L CB -0.466 41.637 42.059 0.074 0.000 0.901 326 L HN 0.287 nan 8.230 nan 0.000 0.433 327 D N -0.385 120.026 120.400 0.018 0.000 2.097 327 D HA -0.183 4.460 4.640 0.004 0.000 0.197 327 D C 2.127 178.409 176.300 -0.029 0.000 0.984 327 D CA 1.457 55.459 54.000 0.003 0.000 0.826 327 D CB 0.239 41.043 40.800 0.005 0.000 0.973 327 D HN 0.262 nan 8.370 nan 0.000 0.460 328 Q N -1.952 117.812 119.800 -0.061 0.000 2.350 328 Q HA 0.147 4.490 4.340 0.004 0.000 0.225 328 Q C 0.430 176.232 176.000 -0.329 0.000 0.878 328 Q CA 0.201 55.883 55.803 -0.201 0.000 0.935 328 Q CB 0.744 29.312 28.738 -0.282 0.000 1.099 328 Q HN 0.338 nan 8.270 nan 0.000 0.527 329 H N -1.427 117.631 119.070 -0.019 0.000 2.575 329 H HA 0.372 4.931 4.556 0.004 0.000 0.256 329 H C 0.892 176.238 175.328 0.030 0.000 1.162 329 H CA 0.144 56.198 56.048 0.010 0.000 0.969 329 H CB 0.885 30.606 29.762 -0.069 0.000 1.796 329 H HN 0.211 nan 8.280 nan 0.000 0.607 330 A N 0.305 123.179 122.820 0.090 0.000 1.933 330 A HA -0.183 4.139 4.320 0.004 0.000 0.218 330 A C 1.662 179.298 177.584 0.087 0.000 1.175 330 A CA 1.734 53.816 52.037 0.076 0.000 0.628 330 A CB -0.107 18.918 19.000 0.042 0.000 0.814 330 A HN 0.286 nan 8.150 nan 0.000 0.444 331 D N -0.564 119.887 120.400 0.085 0.000 2.354 331 D HA -0.074 4.568 4.640 0.004 0.000 0.216 331 D C 1.450 177.811 176.300 0.102 0.000 0.970 331 D CA 1.698 55.745 54.000 0.077 0.000 0.905 331 D CB -0.137 40.700 40.800 0.062 0.000 0.903 331 D HN 0.635 nan 8.370 nan 0.000 0.508 332 T N -3.082 111.568 114.554 0.160 0.000 3.252 332 T HA 0.258 4.610 4.350 0.004 0.000 0.286 332 T C 0.988 175.818 174.700 0.217 0.000 1.013 332 T CA -0.326 61.881 62.100 0.178 0.000 0.914 332 T CB -0.297 68.686 68.868 0.191 0.000 1.131 332 T HN 0.022 nan 8.240 nan 0.000 0.529 333 L N 0.979 122.302 121.223 0.167 0.000 2.910 333 L HA 0.424 4.767 4.340 0.004 0.000 0.252 333 L C 1.657 178.590 176.870 0.105 0.000 1.195 333 L CA -0.100 54.827 54.840 0.145 0.000 1.003 333 L CB -0.207 41.915 42.059 0.105 0.000 1.328 333 L HN 0.578 nan 8.230 nan 0.000 0.540 334 G N 0.949 109.802 108.800 0.089 0.000 2.361 334 G HA2 -0.272 3.690 3.960 0.004 0.000 0.294 334 G HA3 -0.272 3.690 3.960 0.004 0.000 0.294 334 G C 1.023 175.942 174.900 0.032 0.000 1.004 334 G CA 0.654 45.790 45.100 0.060 0.000 0.870 334 G HN 0.724 nan 8.290 nan 0.000 0.510 335 G N -2.151 106.667 108.800 0.030 0.000 2.132 335 G HA2 -0.005 3.957 3.960 0.004 0.000 0.228 335 G HA3 -0.005 3.957 3.960 0.004 0.000 0.228 335 G C 0.472 175.375 174.900 0.006 0.000 1.000 335 G CA 0.401 45.506 45.100 0.008 0.000 0.693 335 G HN 1.879 nan 8.290 nan 0.000 0.515 336 L N 0.814 122.058 121.223 0.034 0.000 2.540 336 L HA 0.507 4.849 4.340 0.004 0.000 0.276 336 L C 0.236 177.121 176.870 0.026 0.000 1.212 336 L CA 0.320 55.186 54.840 0.044 0.000 0.893 336 L CB 1.000 43.121 42.059 0.104 0.000 1.138 336 L HN 0.176 nan 8.230 nan 0.000 0.491 337 V N 5.602 125.511 119.914 -0.009 0.000 2.483 337 V HA 0.876 4.998 4.120 0.004 0.000 0.297 337 V C -0.095 175.961 176.094 -0.063 0.000 1.027 337 V CA -0.020 62.260 62.300 -0.033 0.000 0.855 337 V CB 1.157 32.941 31.823 -0.065 0.000 0.995 337 V HN 1.063 nan 8.190 nan 0.000 0.424 338 A N 3.660 126.447 122.820 -0.056 0.000 2.515 338 A HA 0.958 5.281 4.320 0.004 0.000 0.298 338 A C -0.350 177.177 177.584 -0.096 0.000 1.059 338 A CA -0.345 51.621 52.037 -0.118 0.000 0.698 338 A CB 1.817 20.712 19.000 -0.174 0.000 1.289 338 A HN 1.389 nan 8.150 nan 0.000 0.404 339 A N 1.079 123.804 122.820 -0.159 0.000 2.309 339 A HA 0.660 4.983 4.320 0.004 0.000 0.290 339 A C 0.648 178.105 177.584 -0.212 0.000 1.206 339 A CA 0.264 52.250 52.037 -0.085 0.000 0.850 339 A CB -0.099 18.908 19.000 0.011 0.000 1.118 339 A HN 2.240 nan 8.150 nan 0.000 0.523 340 A N 2.867 125.668 122.820 -0.032 0.000 2.462 340 A HA 0.461 4.783 4.320 0.004 0.000 0.243 340 A C 0.222 177.781 177.584 -0.042 0.000 1.076 340 A CA -0.160 51.909 52.037 0.053 0.000 0.773 340 A CB 0.010 19.093 19.000 0.139 0.000 1.010 340 A HN 0.789 nan 8.150 nan 0.000 0.493 341 E N 3.161 123.377 120.200 0.027 0.000 2.751 341 E HA 0.186 4.539 4.350 0.004 0.000 0.219 341 E C -2.136 174.554 176.600 0.150 0.000 1.060 341 E CA -1.491 54.927 56.400 0.029 0.000 0.893 341 E CB 1.051 30.718 29.700 -0.054 0.000 1.300 341 E HN 0.537 nan 8.360 nan 0.000 0.433 342 P HA 0.072 nan 4.420 nan 0.000 0.255 342 P C 0.283 177.615 177.300 0.054 0.000 1.248 342 P CA 0.241 63.404 63.100 0.106 0.000 0.807 342 P CB 0.791 32.559 31.700 0.115 0.000 1.150 343 G N -0.914 107.895 108.800 0.014 0.000 2.696 343 G HA2 0.550 4.513 3.960 0.004 0.000 0.295 343 G HA3 0.550 4.513 3.960 0.004 0.000 0.295 343 G C -2.005 172.975 174.900 0.133 0.000 1.398 343 G CA -0.355 44.762 45.100 0.029 0.000 0.920 343 G HN -0.125 nan 8.290 nan 0.000 0.492 344 V N 0.672 120.701 119.914 0.191 0.000 2.817 344 V HA 0.639 4.762 4.120 0.004 0.000 0.303 344 V C -0.813 175.375 176.094 0.157 0.000 1.151 344 V CA -0.761 61.663 62.300 0.207 0.000 0.929 344 V CB 1.587 33.492 31.823 0.137 0.000 1.030 344 V HN 0.824 nan 8.190 nan 0.000 0.427 345 V N 4.364 124.305 119.914 0.044 0.000 2.769 345 V HA 1.002 5.125 4.120 0.004 0.000 0.312 345 V C -0.278 175.778 176.094 -0.064 0.000 1.061 345 V CA 0.341 62.607 62.300 -0.056 0.000 0.931 345 V CB 2.414 34.093 31.823 -0.241 0.000 1.010 345 V HN 1.240 nan 8.190 nan 0.000 0.433 346 S N 4.809 120.535 115.700 0.043 0.000 2.596 346 S HA 0.747 5.220 4.470 0.004 0.000 0.270 346 S C -1.772 172.963 174.600 0.225 0.000 1.155 346 S CA -0.699 57.539 58.200 0.064 0.000 0.827 346 S CB 1.779 64.994 63.200 0.025 0.000 1.130 346 S HN 1.212 nan 8.310 nan 0.000 0.467 347 W N 1.816 123.132 121.300 0.025 0.000 3.129 347 W HA 0.683 5.345 4.660 0.004 0.000 0.333 347 W C -1.110 175.466 176.519 0.095 0.000 1.141 347 W CA 0.024 57.415 57.345 0.077 0.000 1.224 347 W CB 2.062 31.531 29.460 0.015 0.000 1.393 347 W HN 1.181 nan 8.180 nan 0.000 0.499 348 S N 4.452 119.659 115.700 -0.821 0.000 2.546 348 S HA 0.695 5.168 4.470 0.004 0.000 0.274 348 S C -3.061 170.508 174.600 -1.719 0.000 1.121 348 S CA -1.739 55.852 58.200 -1.015 0.000 0.887 348 S CB 2.376 65.365 63.200 -0.352 0.000 1.094 348 S HN 0.200 nan 8.310 nan 0.000 0.474 349 P HA 0.197 nan 4.420 nan 0.000 0.264 349 P C 0.737 177.721 177.300 -0.526 0.000 1.183 349 P CA 0.080 62.639 63.100 -0.901 0.000 0.763 349 P CB 0.350 31.732 31.700 -0.530 0.000 0.807 350 A N 4.263 126.871 122.820 -0.353 0.000 1.978 350 A HA -0.151 4.171 4.320 0.004 0.000 0.220 350 A C 1.955 179.440 177.584 -0.165 0.000 1.170 350 A CA 2.042 53.944 52.037 -0.226 0.000 0.636 350 A CB -1.320 17.589 19.000 -0.150 0.000 0.810 350 A HN 0.552 nan 8.150 nan 0.000 0.448 351 A N -0.920 121.810 122.820 -0.149 0.000 2.251 351 A HA 0.593 4.916 4.320 0.004 0.000 0.209 351 A C 1.235 178.754 177.584 -0.107 0.000 1.187 351 A CA 0.636 52.611 52.037 -0.104 0.000 0.823 351 A CB -0.693 18.263 19.000 -0.073 0.000 0.846 351 A HN 0.917 nan 8.150 nan 0.000 0.486 352 A N 0.307 123.037 122.820 -0.150 0.000 2.401 352 A HA 0.534 4.856 4.320 0.004 0.000 0.259 352 A C 0.962 178.484 177.584 -0.103 0.000 1.103 352 A CA 0.173 52.137 52.037 -0.122 0.000 0.789 352 A CB -0.178 18.724 19.000 -0.163 0.000 1.035 352 A HN 0.717 nan 8.150 nan 0.000 0.491 353 G N 0.154 108.908 108.800 -0.076 0.000 2.667 353 G HA2 0.268 4.231 3.960 0.004 0.000 0.250 353 G HA3 0.268 4.231 3.960 0.004 0.000 0.250 353 G C 0.691 175.509 174.900 -0.136 0.000 1.212 353 G CA 0.199 45.245 45.100 -0.091 0.000 0.874 353 G HN 0.896 nan 8.290 nan 0.000 0.561 354 E N -0.446 119.640 120.200 -0.189 0.000 2.085 354 E HA -0.140 4.212 4.350 0.004 0.000 0.194 354 E C 2.471 178.811 176.600 -0.434 0.000 0.994 354 E CA 0.841 57.021 56.400 -0.366 0.000 0.801 354 E CB -0.082 29.407 29.700 -0.351 0.000 0.743 354 E HN 0.490 nan 8.360 nan 0.000 0.453 355 L N 0.829 121.932 121.223 -0.199 0.000 2.072 355 L HA -0.176 4.167 4.340 0.004 0.000 0.205 355 L C 2.182 179.083 176.870 0.051 0.000 1.079 355 L CA 0.914 55.715 54.840 -0.065 0.000 0.752 355 L CB -0.434 41.619 42.059 -0.009 0.000 0.906 355 L HN 0.110 nan 8.230 nan 0.000 0.436 356 D N -0.520 119.913 120.400 0.055 0.000 2.123 356 D HA -0.191 4.451 4.640 0.004 0.000 0.196 356 D C 2.313 178.814 176.300 0.335 0.000 0.992 356 D CA 1.540 55.668 54.000 0.214 0.000 0.833 356 D CB -0.031 40.881 40.800 0.186 0.000 0.954 356 D HN 0.129 nan 8.370 nan 0.000 0.455 357 S N -0.384 115.365 115.700 0.081 0.000 2.359 357 S HA -0.196 4.277 4.470 0.004 0.000 0.224 357 S C 1.814 176.471 174.600 0.095 0.000 1.035 357 S CA 1.282 59.484 58.200 0.003 0.000 1.018 357 S CB -0.303 62.781 63.200 -0.195 0.000 0.876 357 S HN 0.416 nan 8.310 nan 0.000 0.448 358 H N -2.266 116.796 119.070 -0.013 0.000 2.389 358 H HA -0.110 4.448 4.556 0.004 0.000 0.299 358 H C 1.915 177.316 175.328 0.121 0.000 1.081 358 H CA 1.390 57.430 56.048 -0.014 0.000 1.345 358 H CB -0.197 29.538 29.762 -0.044 0.000 1.393 358 H HN 0.618 nan 8.280 nan 0.000 0.520 359 W N 1.129 122.516 121.300 0.145 0.000 2.355 359 W HA -0.214 4.448 4.660 0.004 0.000 0.309 359 W C 1.553 178.104 176.519 0.053 0.000 1.206 359 W CA 1.316 58.696 57.345 0.059 0.000 1.284 359 W CB -0.598 28.848 29.460 -0.022 0.000 1.145 359 W HN -0.007 nan 8.180 nan 0.000 0.502 360 F N 0.727 120.844 119.950 0.278 0.000 2.126 360 F HA -0.173 4.356 4.527 0.004 0.000 0.299 360 F C 2.549 178.308 175.800 -0.069 0.000 1.096 360 F CA 2.285 60.373 58.000 0.148 0.000 1.255 360 F CB -0.733 38.423 39.000 0.259 0.000 0.997 360 F HN -0.208 nan 8.300 nan 0.000 0.479 361 R N -0.406 120.162 120.500 0.113 0.000 2.115 361 R HA -0.131 4.212 4.340 0.004 0.000 0.226 361 R C 2.053 178.300 176.300 -0.089 0.000 1.100 361 R CA 1.206 57.303 56.100 -0.004 0.000 0.980 361 R CB -0.422 29.845 30.300 -0.055 0.000 0.875 361 R HN 0.332 nan 8.270 nan 0.000 0.445 362 E N 0.572 120.698 120.200 -0.125 0.000 2.150 362 E HA -0.176 4.177 4.350 0.004 0.000 0.193 362 E C 1.711 178.118 176.600 -0.322 0.000 0.985 362 E CA 0.921 57.201 56.400 -0.200 0.000 0.814 362 E CB 0.316 29.906 29.700 -0.182 0.000 0.752 362 E HN 0.230 nan 8.360 nan 0.000 0.466 363 Q N -0.725 118.779 119.800 -0.494 0.000 2.212 363 Q HA -0.042 4.301 4.340 0.004 0.000 0.199 363 Q C 2.099 177.766 176.000 -0.555 0.000 0.950 363 Q CA 1.641 57.075 55.803 -0.616 0.000 0.863 363 Q CB 0.394 28.574 28.738 -0.931 0.000 0.944 363 Q HN 0.390 nan 8.270 nan 0.000 0.465 364 T N -2.889 111.414 114.554 -0.417 0.000 3.069 364 T HA 0.235 4.588 4.350 0.004 0.000 0.252 364 T C 0.989 175.558 174.700 -0.217 0.000 1.053 364 T CA 0.164 62.057 62.100 -0.345 0.000 0.964 364 T CB 0.013 68.768 68.868 -0.187 0.000 1.005 364 T HN 0.126 nan 8.240 nan 0.000 0.532 365 G N 0.370 109.066 108.800 -0.174 0.000 2.265 365 G HA2 0.452 4.415 3.960 0.004 0.000 0.240 365 G HA3 0.452 4.415 3.960 0.004 0.000 0.240 365 G C 0.132 174.968 174.900 -0.107 0.000 1.270 365 G CA -0.046 44.981 45.100 -0.121 0.000 0.901 365 G HN 0.700 nan 8.290 nan 0.000 0.507 366 G N 0.604 109.336 108.800 -0.113 0.000 2.682 366 G HA2 0.573 4.536 3.960 0.004 0.000 0.300 366 G HA3 0.573 4.536 3.960 0.004 0.000 0.300 366 G C -1.025 174.062 174.900 0.311 0.000 1.391 366 G CA -0.776 44.333 45.100 0.015 0.000 0.990 366 G HN 0.661 nan 8.290 nan 0.000 0.501 367 I N 1.419 122.254 120.570 0.443 0.000 2.465 367 I HA 0.335 4.508 4.170 0.004 0.000 0.291 367 I C -0.176 176.065 176.117 0.207 0.000 1.014 367 I CA -0.744 60.752 61.300 0.327 0.000 1.093 367 I CB 2.204 40.300 38.000 0.160 0.000 1.267 367 I HN 0.128 nan 8.210 nan 0.000 0.431 368 L N 6.384 127.592 121.223 -0.026 0.000 2.313 368 L HA 0.423 4.765 4.340 0.004 0.000 0.282 368 L C 0.162 177.006 176.870 -0.043 0.000 1.092 368 L CA -0.172 54.497 54.840 -0.285 0.000 0.831 368 L CB 0.719 42.388 42.059 -0.651 0.000 1.159 368 L HN 0.563 nan 8.230 nan 0.000 0.442 369 R N 3.759 124.311 120.500 0.086 0.000 2.445 369 R HA 0.187 4.530 4.340 0.004 0.000 0.308 369 R C -0.140 176.334 176.300 0.289 0.000 0.961 369 R CA -0.666 55.501 56.100 0.113 0.000 0.862 369 R CB 1.388 31.676 30.300 -0.021 0.000 1.144 369 R HN 0.600 nan 8.270 nan 0.000 0.447 370 E N 3.691 124.016 120.200 0.209 0.000 2.480 370 E HA -0.159 4.194 4.350 0.004 0.000 0.258 370 E C -0.776 175.903 176.600 0.132 0.000 0.984 370 E CA 0.045 56.528 56.400 0.140 0.000 0.930 370 E CB 0.495 30.247 29.700 0.087 0.000 0.936 370 E HN 0.437 nan 8.360 nan 0.000 0.466 371 N N 5.358 123.996 118.700 -0.103 0.000 2.421 371 N HA -0.058 4.685 4.740 0.004 0.000 0.260 371 N C 0.414 175.742 175.510 -0.304 0.000 1.173 371 N CA -0.231 52.616 53.050 -0.338 0.000 0.960 371 N CB -0.306 37.838 38.487 -0.571 0.000 1.273 371 N HN 0.516 nan 8.380 nan 0.000 0.497 372 F N 0.718 120.692 119.950 0.040 0.000 2.408 372 F HA 0.005 4.534 4.527 0.004 0.000 0.300 372 F C 2.041 177.789 175.800 -0.087 0.000 1.090 372 F CA -0.349 57.625 58.000 -0.043 0.000 1.427 372 F CB -0.937 38.036 39.000 -0.046 0.000 1.070 372 F HN 0.307 nan 8.300 nan 0.000 0.549 373 C N 1.474 120.687 119.300 -0.146 0.000 2.411 373 C HA -0.146 4.317 4.460 0.004 0.000 0.279 373 C C 2.925 177.893 174.990 -0.036 0.000 1.288 373 C CA 0.646 59.640 59.018 -0.040 0.000 1.764 373 C CB -0.989 26.713 27.740 -0.063 0.000 1.974 373 C HN 0.460 nan 8.230 nan 0.000 0.498 374 R N 1.171 121.617 120.500 -0.090 0.000 2.080 374 R HA -0.109 4.233 4.340 0.004 0.000 0.236 374 R C 2.188 178.461 176.300 -0.045 0.000 1.137 374 R CA 1.360 57.408 56.100 -0.087 0.000 0.943 374 R CB -0.771 29.445 30.300 -0.141 0.000 0.846 374 R HN 0.627 nan 8.270 nan 0.000 0.431 375 R N 0.175 120.664 120.500 -0.019 0.000 2.075 375 R HA -0.059 4.284 4.340 0.004 0.000 0.232 375 R C 2.137 178.438 176.300 0.001 0.000 1.126 375 R CA 1.920 58.018 56.100 -0.003 0.000 0.963 375 R CB -0.299 30.012 30.300 0.018 0.000 0.858 375 R HN 0.453 nan 8.270 nan 0.000 0.435 376 T N -3.176 111.394 114.554 0.026 0.000 3.001 376 T HA 0.271 4.624 4.350 0.004 0.000 0.251 376 T C 0.771 175.466 174.700 -0.008 0.000 1.040 376 T CA 0.190 62.299 62.100 0.016 0.000 0.985 376 T CB 0.881 69.780 68.868 0.052 0.000 1.011 376 T HN 0.394 nan 8.240 nan 0.000 0.509 377 G N 0.878 109.675 108.800 -0.005 0.000 3.285 377 G HA2 0.179 4.142 3.960 0.004 0.000 0.685 377 G HA3 0.179 4.142 3.960 0.004 0.000 0.685 377 G C 0.725 175.615 174.900 -0.017 0.000 0.938 377 G CA -0.474 44.611 45.100 -0.025 0.000 0.778 377 G HN 0.853 nan 8.290 nan 0.000 0.515 378 A N 1.567 124.371 122.820 -0.026 0.000 2.019 378 A HA 0.047 4.370 4.320 0.004 0.000 0.219 378 A C 1.934 179.448 177.584 -0.116 0.000 1.164 378 A CA 2.116 54.137 52.037 -0.026 0.000 0.644 378 A CB -0.159 18.804 19.000 -0.062 0.000 0.805 378 A HN 0.835 nan 8.150 nan 0.000 0.449 379 E N -0.947 119.165 120.200 -0.146 0.000 2.502 379 E HA 0.003 4.355 4.350 0.004 0.000 0.194 379 E C 1.377 177.962 176.600 -0.026 0.000 1.062 379 E CA 0.136 56.489 56.400 -0.079 0.000 0.867 379 E CB 0.082 29.749 29.700 -0.054 0.000 0.888 379 E HN 0.532 nan 8.360 nan 0.000 0.510 380 R N -0.201 120.232 120.500 -0.112 0.000 2.476 380 R HA 0.205 4.548 4.340 0.004 0.000 0.276 380 R C 0.025 176.212 176.300 -0.188 0.000 0.941 380 R CA 0.054 55.930 56.100 -0.373 0.000 1.088 380 R CB 1.132 31.241 30.300 -0.319 0.000 1.216 380 R HN -0.136 nan 8.270 nan 0.000 0.533 381 S N 1.270 117.010 115.700 0.068 0.000 2.478 381 S HA 0.540 5.013 4.470 0.004 0.000 0.312 381 S C -0.403 174.387 174.600 0.316 0.000 1.094 381 S CA -0.524 57.796 58.200 0.201 0.000 1.081 381 S CB 1.887 65.240 63.200 0.255 0.000 1.007 381 S HN 0.076 nan 8.310 nan 0.000 0.475 382 I N 3.080 123.790 120.570 0.233 0.000 2.466 382 I HA 0.314 4.487 4.170 0.004 0.000 0.289 382 I C -0.104 176.053 176.117 0.067 0.000 1.026 382 I CA -0.577 60.777 61.300 0.089 0.000 1.078 382 I CB 1.751 39.698 38.000 -0.088 0.000 1.249 382 I HN 0.452 nan 8.210 nan 0.000 0.429 383 M N 4.955 124.561 119.600 0.009 0.000 2.252 383 M HA 0.114 4.597 4.480 0.004 0.000 0.348 383 M C 1.036 177.292 176.300 -0.072 0.000 1.334 383 M CA 0.509 55.809 55.300 -0.000 0.000 1.071 383 M CB 1.306 33.854 32.600 -0.087 0.000 1.763 383 M HN 0.900 nan 8.290 nan 0.000 0.452 384 A N 5.132 127.948 122.820 -0.008 0.000 1.969 384 A HA 0.011 4.334 4.320 0.004 0.000 0.218 384 A C 1.841 179.418 177.584 -0.012 0.000 1.169 384 A CA 1.726 53.771 52.037 0.014 0.000 0.635 384 A CB -1.153 17.969 19.000 0.204 0.000 0.810 384 A HN 1.034 nan 8.150 nan 0.000 0.445 385 G N -0.624 108.154 108.800 -0.036 0.000 2.446 385 G HA2 -0.215 3.747 3.960 0.004 0.000 0.217 385 G HA3 -0.215 3.747 3.960 0.004 0.000 0.217 385 G C 1.543 176.399 174.900 -0.073 0.000 1.168 385 G CA 1.719 46.795 45.100 -0.041 0.000 0.771 385 G HN 0.452 nan 8.290 nan 0.000 0.551 386 T N 0.979 115.436 114.554 -0.162 0.000 2.951 386 T HA -0.043 4.310 4.350 0.004 0.000 0.268 386 T C 2.124 176.658 174.700 -0.277 0.000 1.073 386 T CA 0.802 62.764 62.100 -0.230 0.000 1.134 386 T CB -0.112 68.568 68.868 -0.313 0.000 0.884 386 T HN 0.124 nan 8.240 nan 0.000 0.479 387 L N 0.331 121.320 121.223 -0.390 0.000 2.353 387 L HA 0.127 4.469 4.340 0.004 0.000 0.220 387 L C 0.321 176.682 176.870 -0.848 0.000 1.133 387 L CA 1.550 55.947 54.840 -0.737 0.000 0.798 387 L CB -0.543 40.921 42.059 -0.992 0.000 0.922 387 L HN 0.194 nan 8.230 nan 0.000 0.445 388 F N -1.112 118.769 119.950 -0.115 0.000 2.811 388 F HA 0.549 5.078 4.527 0.004 0.000 0.342 388 F C 0.612 176.391 175.800 -0.034 0.000 1.203 388 F CA -0.231 57.718 58.000 -0.085 0.000 1.173 388 F CB -0.673 38.272 39.000 -0.091 0.000 1.094 388 F HN -0.021 nan 8.300 nan 0.000 0.510 389 A N 0.201 123.070 122.820 0.081 0.000 2.284 389 A HA 0.911 5.234 4.320 0.004 0.000 0.317 389 A C 0.063 177.742 177.584 0.158 0.000 1.120 389 A CA -0.688 51.422 52.037 0.122 0.000 0.900 389 A CB 1.113 20.157 19.000 0.075 0.000 1.319 389 A HN 0.025 nan 8.150 nan 0.000 0.494 390 R N -0.415 120.247 120.500 0.269 0.000 2.536 390 R HA 0.550 4.893 4.340 0.004 0.000 0.279 390 R C 0.568 177.169 176.300 0.502 0.000 1.001 390 R CA -0.081 56.199 56.100 0.300 0.000 1.027 390 R CB 0.816 31.223 30.300 0.178 0.000 1.096 390 R HN 0.885 nan 8.270 nan 0.000 0.502 391 G N -0.460 108.576 108.800 0.392 0.000 2.532 391 G HA2 0.291 4.253 3.960 0.004 0.000 0.291 391 G HA3 0.291 4.253 3.960 0.004 0.000 0.291 391 G C 0.997 176.137 174.900 0.400 0.000 1.349 391 G CA -0.162 45.202 45.100 0.440 0.000 1.038 391 G HN 0.329 nan 8.290 nan 0.000 0.518 392 V N -1.272 118.713 119.914 0.119 0.000 2.546 392 V HA -0.130 3.993 4.120 0.004 0.000 0.254 392 V C 1.658 177.788 176.094 0.060 0.000 1.076 392 V CA 2.442 64.693 62.300 -0.081 0.000 1.087 392 V CB -0.776 30.899 31.823 -0.248 0.000 0.674 392 V HN 0.657 nan 8.190 nan 0.000 0.470 393 D N -0.579 119.873 120.400 0.087 0.000 2.388 393 D HA 0.125 4.767 4.640 0.004 0.000 0.221 393 D C 1.067 177.412 176.300 0.075 0.000 1.133 393 D CA -0.371 53.667 54.000 0.064 0.000 0.831 393 D CB -0.178 40.646 40.800 0.039 0.000 0.962 393 D HN 0.438 nan 8.370 nan 0.000 0.502 394 L N -1.268 120.031 121.223 0.127 0.000 4.429 394 L HA -0.245 4.098 4.340 0.004 0.000 0.422 394 L C -0.416 176.491 176.870 0.062 0.000 1.149 394 L CA 0.778 55.656 54.840 0.063 0.000 0.972 394 L CB -0.990 41.057 42.059 -0.019 0.000 2.059 394 L HN 0.276 nan 8.230 nan 0.000 0.870 395 Q N -0.130 119.718 119.800 0.080 0.000 2.235 395 Q HA 0.477 4.819 4.340 0.004 0.000 0.256 395 Q C -2.156 173.893 176.000 0.081 0.000 0.951 395 Q CA -1.998 53.836 55.803 0.051 0.000 0.890 395 Q CB 1.076 29.831 28.738 0.028 0.000 1.279 395 Q HN -0.076 nan 8.270 nan 0.000 0.444 396 P HA 0.088 nan 4.420 nan 0.000 0.268 396 P C 0.293 177.620 177.300 0.045 0.000 1.204 396 P CA 0.403 63.547 63.100 0.074 0.000 0.768 396 P CB 0.503 32.246 31.700 0.072 0.000 0.842 397 M N 2.659 122.278 119.600 0.032 0.000 2.349 397 M HA -0.057 4.426 4.480 0.004 0.000 0.266 397 M C 1.748 178.048 176.300 0.000 0.000 1.076 397 M CA 1.084 56.392 55.300 0.014 0.000 1.126 397 M CB -0.373 32.217 32.600 -0.017 0.000 1.392 397 M HN 0.338 nan 8.290 nan 0.000 0.440 398 I N 0.665 121.200 120.570 -0.058 0.000 2.454 398 I HA -0.282 3.890 4.170 0.004 0.000 0.254 398 I C 2.325 178.431 176.117 -0.020 0.000 1.156 398 I CA 1.586 62.839 61.300 -0.077 0.000 1.433 398 I CB -0.191 37.685 38.000 -0.208 0.000 1.082 398 I HN 0.281 nan 8.210 nan 0.000 0.432 399 Q N 0.025 119.805 119.800 -0.032 0.000 1.965 399 Q HA -0.165 4.178 4.340 0.004 0.000 0.200 399 Q C 2.395 178.376 176.000 -0.031 0.000 0.981 399 Q CA 2.550 58.319 55.803 -0.056 0.000 0.834 399 Q CB -1.358 27.353 28.738 -0.045 0.000 0.900 399 Q HN 0.664 nan 8.270 nan 0.000 0.426 400 T N -1.002 113.557 114.554 0.008 0.000 2.867 400 T HA -0.138 4.214 4.350 0.004 0.000 0.268 400 T C 1.785 176.506 174.700 0.034 0.000 1.057 400 T CA 1.014 63.121 62.100 0.011 0.000 1.136 400 T CB -0.658 68.222 68.868 0.022 0.000 0.874 400 T HN 0.240 nan 8.240 nan 0.000 0.466 401 F N 2.328 122.242 119.950 -0.060 0.000 2.043 401 F HA -0.062 4.468 4.527 0.004 0.000 0.297 401 F C 2.030 177.849 175.800 0.032 0.000 1.121 401 F CA 1.481 59.462 58.000 -0.032 0.000 1.199 401 F CB -0.380 38.576 39.000 -0.073 0.000 0.968 401 F HN 0.061 nan 8.300 nan 0.000 0.478 402 L N 0.197 121.260 121.223 -0.267 0.000 2.046 402 L HA -0.222 4.121 4.340 0.004 0.000 0.208 402 L C 2.702 179.539 176.870 -0.056 0.000 1.077 402 L CA 1.763 56.455 54.840 -0.246 0.000 0.747 402 L CB -0.897 40.987 42.059 -0.292 0.000 0.896 402 L HN 0.185 nan 8.230 nan 0.000 0.432 403 R N -0.047 120.404 120.500 -0.083 0.000 2.103 403 R HA -0.191 4.151 4.340 0.004 0.000 0.242 403 R C 2.229 178.504 176.300 -0.041 0.000 1.142 403 R CA 2.253 58.328 56.100 -0.042 0.000 0.960 403 R CB -0.343 29.928 30.300 -0.048 0.000 0.858 403 R HN 0.291 nan 8.270 nan 0.000 0.439 404 T N 0.033 114.513 114.554 -0.122 0.000 2.708 404 T HA -0.130 4.222 4.350 0.004 0.000 0.266 404 T C 1.547 176.095 174.700 -0.254 0.000 1.037 404 T CA 1.350 63.329 62.100 -0.202 0.000 1.146 404 T CB -0.347 68.351 68.868 -0.283 0.000 0.865 404 T HN 0.408 nan 8.240 nan 0.000 0.435 405 H N -0.585 118.373 119.070 -0.186 0.000 2.428 405 H HA 0.039 4.598 4.556 0.004 0.000 0.296 405 H C 1.954 177.171 175.328 -0.184 0.000 1.062 405 H CA 1.107 57.025 56.048 -0.216 0.000 1.350 405 H CB -0.188 29.346 29.762 -0.379 0.000 1.403 405 H HN 0.476 nan 8.280 nan 0.000 0.533 406 Y N -0.392 119.895 120.300 -0.021 0.000 2.314 406 Y HA 0.072 4.625 4.550 0.004 0.000 0.294 406 Y C 2.087 177.983 175.900 -0.006 0.000 1.119 406 Y CA 0.841 58.942 58.100 0.002 0.000 1.179 406 Y CB 0.558 39.019 38.460 0.001 0.000 1.025 406 Y HN 0.350 nan 8.280 nan 0.000 0.541 407 G N -0.031 108.832 108.800 0.105 0.000 2.192 407 G HA2 -0.175 3.788 3.960 0.004 0.000 0.193 407 G HA3 -0.175 3.788 3.960 0.004 0.000 0.193 407 G C -0.174 174.751 174.900 0.041 0.000 0.999 407 G CA 0.024 45.151 45.100 0.044 0.000 0.659 407 G HN 0.421 nan 8.290 nan 0.000 0.503 408 E N -1.020 119.215 120.200 0.057 0.000 2.388 408 E HA 0.629 4.981 4.350 0.004 0.000 0.281 408 E C -0.115 176.492 176.600 0.010 0.000 1.046 408 E CA -0.641 55.776 56.400 0.029 0.000 0.825 408 E CB 0.713 30.434 29.700 0.036 0.000 1.243 408 E HN 1.366 nan 8.360 nan 0.000 0.438 409 A N 2.169 124.981 122.820 -0.013 0.000 2.546 409 A HA 0.277 4.600 4.320 0.004 0.000 0.243 409 A C -0.156 177.396 177.584 -0.053 0.000 1.063 409 A CA -0.183 51.831 52.037 -0.038 0.000 0.757 409 A CB -0.221 18.759 19.000 -0.033 0.000 0.991 409 A HN 0.407 nan 8.150 nan 0.000 0.503 410 L N 3.715 124.876 121.223 -0.103 0.000 2.410 410 L HA 0.185 4.527 4.340 0.004 0.000 0.273 410 L C 0.802 177.625 176.870 -0.079 0.000 1.144 410 L CA 0.179 54.936 54.840 -0.138 0.000 0.863 410 L CB 0.320 42.230 42.059 -0.247 0.000 1.140 410 L HN 0.847 nan 8.230 nan 0.000 0.463 411 D N 1.069 121.441 120.400 -0.046 0.000 2.414 411 D HA 0.015 4.657 4.640 0.004 0.000 0.259 411 D C 0.566 176.857 176.300 -0.014 0.000 1.269 411 D CA -0.429 53.558 54.000 -0.022 0.000 1.028 411 D CB 0.464 41.262 40.800 -0.004 0.000 1.093 411 D HN 0.401 nan 8.370 nan 0.000 0.545 412 D N -0.611 119.787 120.400 -0.002 0.000 2.126 412 D HA -0.182 4.461 4.640 0.004 0.000 0.190 412 D C 1.566 177.887 176.300 0.035 0.000 1.001 412 D CA 1.287 55.292 54.000 0.009 0.000 0.841 412 D CB -0.337 40.468 40.800 0.010 0.000 0.949 412 D HN 0.387 nan 8.370 nan 0.000 0.446 413 N N 0.596 119.321 118.700 0.042 0.000 2.166 413 N HA -0.108 4.635 4.740 0.004 0.000 0.186 413 N C 1.724 177.306 175.510 0.121 0.000 1.019 413 N CA 1.223 54.315 53.050 0.069 0.000 0.856 413 N CB -0.383 38.132 38.487 0.046 0.000 0.993 413 N HN 0.163 nan 8.380 nan 0.000 0.426 414 A N 1.232 124.105 122.820 0.088 0.000 1.930 414 A HA 0.007 4.330 4.320 0.004 0.000 0.217 414 A C 2.384 180.026 177.584 0.097 0.000 1.175 414 A CA 0.722 52.815 52.037 0.094 0.000 0.627 414 A CB -0.637 18.329 19.000 -0.057 0.000 0.815 414 A HN 0.183 nan 8.150 nan 0.000 0.443 415 L N -0.728 120.528 121.223 0.056 0.000 2.093 415 L HA -0.153 4.190 4.340 0.004 0.000 0.208 415 L C 2.453 179.465 176.870 0.237 0.000 1.085 415 L CA 0.945 55.838 54.840 0.089 0.000 0.755 415 L CB -0.427 41.639 42.059 0.011 0.000 0.904 415 L HN 0.374 nan 8.230 nan 0.000 0.435 416 L N -2.074 119.279 121.223 0.217 0.000 2.109 416 L HA -0.216 4.127 4.340 0.004 0.000 0.207 416 L C 2.582 179.673 176.870 0.369 0.000 1.086 416 L CA 0.733 55.736 54.840 0.270 0.000 0.760 416 L CB -0.673 41.492 42.059 0.178 0.000 0.910 416 L HN 0.195 nan 8.230 nan 0.000 0.437 417 Y N -0.121 120.285 120.300 0.178 0.000 2.114 417 Y HA -0.317 4.236 4.550 0.004 0.000 0.284 417 Y C 2.347 178.373 175.900 0.210 0.000 1.143 417 Y CA 1.186 59.382 58.100 0.160 0.000 1.135 417 Y CB -0.960 37.584 38.460 0.140 0.000 0.980 417 Y HN 0.191 nan 8.280 nan 0.000 0.499 418 W N -0.096 121.253 121.300 0.083 0.000 2.342 418 W HA -0.302 4.361 4.660 0.005 0.000 0.297 418 W C 2.424 179.033 176.519 0.150 0.000 1.213 418 W CA 2.520 59.878 57.345 0.022 0.000 1.251 418 W CB -0.863 28.610 29.460 0.023 0.000 1.136 418 W HN 0.163 nan 8.180 nan 0.000 0.526 419 F N 0.749 120.938 119.950 0.398 0.000 2.234 419 F HA -0.203 4.327 4.527 0.005 0.000 0.299 419 F C 2.155 178.037 175.800 0.138 0.000 1.087 419 F CA 2.143 60.318 58.000 0.290 0.000 1.340 419 F CB -0.501 38.613 39.000 0.190 0.000 1.031 419 F HN -0.229 nan 8.300 nan 0.000 0.500 420 D N 0.567 120.947 120.400 -0.032 0.000 2.097 420 D HA -0.179 4.463 4.640 0.004 0.000 0.197 420 D C 1.740 177.921 176.300 -0.199 0.000 0.984 420 D CA 1.461 55.374 54.000 -0.145 0.000 0.826 420 D CB -0.382 40.471 40.800 0.087 0.000 0.973 420 D HN 0.244 nan 8.370 nan 0.000 0.460 421 D N -1.148 119.142 120.400 -0.183 0.000 2.182 421 D HA -0.170 4.472 4.640 0.004 0.000 0.201 421 D C 1.725 177.827 176.300 -0.331 0.000 0.986 421 D CA 0.666 54.507 54.000 -0.265 0.000 0.847 421 D CB -0.266 40.297 40.800 -0.396 0.000 0.942 421 D HN 0.356 nan 8.370 nan 0.000 0.467 422 Y N 1.228 121.206 120.300 -0.537 0.000 2.176 422 Y HA -0.205 4.348 4.550 0.005 0.000 0.291 422 Y C 2.397 178.084 175.900 -0.354 0.000 1.122 422 Y CA 1.857 59.673 58.100 -0.473 0.000 1.128 422 Y CB -0.196 37.980 38.460 -0.473 0.000 1.005 422 Y HN -0.072 nan 8.280 nan 0.000 0.509 423 Q N -1.019 118.535 119.800 -0.410 0.000 2.119 423 Q HA -0.139 4.204 4.340 0.004 0.000 0.201 423 Q C 2.135 177.933 176.000 -0.337 0.000 0.972 423 Q CA 2.199 57.745 55.803 -0.428 0.000 0.847 423 Q CB -1.350 26.994 28.738 -0.657 0.000 0.903 423 Q HN 0.308 nan 8.270 nan 0.000 0.433 424 T N -0.326 114.054 114.554 -0.290 0.000 2.833 424 T HA -0.094 4.258 4.350 0.004 0.000 0.269 424 T C 1.686 176.270 174.700 -0.193 0.000 1.054 424 T CA 1.539 63.527 62.100 -0.187 0.000 1.135 424 T CB -0.086 68.701 68.868 -0.135 0.000 0.869 424 T HN 0.399 nan 8.240 nan 0.000 0.466 425 R N -0.391 119.944 120.500 -0.276 0.000 2.193 425 R HA 0.190 4.533 4.340 0.004 0.000 0.213 425 R C 2.126 178.256 176.300 -0.283 0.000 1.055 425 R CA 0.593 56.539 56.100 -0.256 0.000 0.995 425 R CB -0.128 29.999 30.300 -0.289 0.000 0.893 425 R HN 0.317 nan 8.270 nan 0.000 0.459 426 L N -0.051 120.943 121.223 -0.382 0.000 2.145 426 L HA 0.063 4.405 4.340 0.004 0.000 0.201 426 L C 1.657 178.389 176.870 -0.231 0.000 1.075 426 L CA 1.409 56.030 54.840 -0.365 0.000 0.773 426 L CB -0.052 41.678 42.059 -0.548 0.000 0.936 426 L HN 0.068 nan 8.230 nan 0.000 0.451 427 L N -0.727 120.386 121.223 -0.183 0.000 2.072 427 L HA -0.105 4.237 4.340 0.004 0.000 0.205 427 L C 2.791 179.671 176.870 0.015 0.000 1.079 427 L CA 1.034 55.834 54.840 -0.067 0.000 0.752 427 L CB -0.444 41.616 42.059 0.001 0.000 0.906 427 L HN 0.228 nan 8.230 nan 0.000 0.436 428 R N -0.056 120.441 120.500 -0.004 0.000 2.097 428 R HA -0.181 4.161 4.340 0.004 0.000 0.236 428 R C -0.178 176.160 176.300 0.063 0.000 1.135 428 R CA 1.888 58.009 56.100 0.035 0.000 0.934 428 R CB -1.584 28.720 30.300 0.006 0.000 0.846 428 R HN 0.303 nan 8.270 nan 0.000 0.431 429 P HA -0.158 nan 4.420 nan 0.000 0.213 429 P C 1.479 178.843 177.300 0.108 0.000 1.170 429 P CA 1.260 64.396 63.100 0.060 0.000 0.902 429 P CB -0.052 31.658 31.700 0.015 0.000 0.789 430 V N -0.491 119.472 119.914 0.082 0.000 2.287 430 V HA -0.235 3.888 4.120 0.004 0.000 0.248 430 V C 2.478 178.706 176.094 0.223 0.000 1.053 430 V CA 1.769 64.141 62.300 0.119 0.000 1.027 430 V CB -1.360 30.485 31.823 0.038 0.000 0.646 430 V HN 0.083 nan 8.190 nan 0.000 0.447 431 L N -0.458 120.921 121.223 0.261 0.000 2.217 431 L HA -0.075 4.268 4.340 0.004 0.000 0.211 431 L C 2.550 179.686 176.870 0.443 0.000 1.107 431 L CA 1.179 56.288 54.840 0.448 0.000 0.783 431 L CB -0.543 41.785 42.059 0.449 0.000 0.919 431 L HN 0.326 nan 8.230 nan 0.000 0.442 432 S N 0.299 116.165 115.700 0.277 0.000 2.357 432 S HA -0.075 4.397 4.470 0.004 0.000 0.221 432 S C 2.004 176.736 174.600 0.220 0.000 1.031 432 S CA 0.897 59.231 58.200 0.223 0.000 0.982 432 S CB -0.212 63.086 63.200 0.163 0.000 0.853 432 S HN 0.247 nan 8.310 nan 0.000 0.458 433 L N 0.218 121.576 121.223 0.224 0.000 1.990 433 L HA -0.186 4.157 4.340 0.004 0.000 0.213 433 L C 2.239 179.206 176.870 0.161 0.000 1.072 433 L CA 1.807 56.768 54.840 0.202 0.000 0.755 433 L CB -0.564 41.597 42.059 0.170 0.000 0.889 433 L HN 0.276 nan 8.230 nan 0.000 0.432 434 F N -0.046 119.928 119.950 0.039 0.000 2.046 434 F HA -0.295 4.235 4.527 0.005 0.000 0.297 434 F C 2.130 177.822 175.800 -0.181 0.000 1.123 434 F CA 1.792 59.721 58.000 -0.117 0.000 1.199 434 F CB -0.204 38.642 39.000 -0.257 0.000 0.972 434 F HN -0.131 nan 8.300 nan 0.000 0.474 435 F N 0.226 120.187 119.950 0.018 0.000 2.416 435 F HA -0.021 4.508 4.527 0.004 0.000 0.296 435 F C 2.058 177.747 175.800 -0.186 0.000 1.099 435 F CA 0.627 58.548 58.000 -0.132 0.000 1.427 435 F CB -0.680 38.337 39.000 0.028 0.000 1.079 435 F HN 0.001 nan 8.300 nan 0.000 0.536 436 N N -1.296 117.388 118.700 -0.026 0.000 2.395 436 N HA -0.056 4.686 4.740 0.004 0.000 0.175 436 N C 1.113 176.259 175.510 -0.607 0.000 1.029 436 N CA 1.055 53.917 53.050 -0.314 0.000 0.897 436 N CB -0.094 38.173 38.487 -0.367 0.000 0.991 436 N HN 0.355 nan 8.380 nan 0.000 0.441 437 H N -2.094 116.945 119.070 -0.051 0.000 3.680 437 H HA 0.239 4.797 4.556 0.004 0.000 0.260 437 H C 0.908 176.224 175.328 -0.019 0.000 1.183 437 H CA 0.689 56.727 56.048 -0.017 0.000 1.159 437 H CB 1.119 30.818 29.762 -0.105 0.000 1.567 437 H HN 0.201 nan 8.280 nan 0.000 0.648 438 G N 1.674 110.416 108.800 -0.097 0.000 2.162 438 G HA2 -0.295 3.668 3.960 0.004 0.000 0.260 438 G HA3 -0.295 3.668 3.960 0.004 0.000 0.260 438 G C 0.276 175.151 174.900 -0.043 0.000 0.976 438 G CA 0.481 45.486 45.100 -0.159 0.000 0.655 438 G HN 0.193 nan 8.290 nan 0.000 0.533 439 V N 1.346 121.253 119.914 -0.013 0.000 2.405 439 V HA 0.391 4.513 4.120 0.004 0.000 0.264 439 V C 0.870 177.053 176.094 0.148 0.000 1.048 439 V CA -0.400 61.891 62.300 -0.014 0.000 0.966 439 V CB 1.513 33.234 31.823 -0.170 0.000 1.015 439 V HN 0.242 nan 8.190 nan 0.000 0.477 440 V N 7.163 127.183 119.914 0.176 0.000 2.368 440 V HA 0.314 4.437 4.120 0.004 0.000 0.266 440 V C 0.528 176.722 176.094 0.168 0.000 1.045 440 V CA -0.431 62.022 62.300 0.254 0.000 0.899 440 V CB 0.971 32.951 31.823 0.262 0.000 1.006 440 V HN 0.716 nan 8.190 nan 0.000 0.470 441 M N 3.223 122.926 119.600 0.173 0.000 2.114 441 M HA 0.406 4.889 4.480 0.004 0.000 0.280 441 M C 0.373 176.724 176.300 0.086 0.000 1.209 441 M CA -0.108 55.275 55.300 0.139 0.000 1.044 441 M CB 0.226 32.897 32.600 0.118 0.000 1.404 441 M HN 0.665 nan 8.290 nan 0.000 0.499 442 E N 2.391 122.616 120.200 0.042 0.000 2.795 442 E HA 0.286 4.639 4.350 0.004 0.000 0.226 442 E C -2.189 174.347 176.600 -0.107 0.000 1.088 442 E CA -1.538 54.875 56.400 0.023 0.000 0.812 442 E CB 0.868 30.602 29.700 0.057 0.000 1.328 442 E HN 0.218 nan 8.360 nan 0.000 0.410 443 P HA 0.090 nan 4.420 nan 0.000 0.227 443 P C -0.550 176.786 177.300 0.060 0.000 1.801 443 P CA -0.288 62.774 63.100 -0.063 0.000 0.971 443 P CB -0.540 31.117 31.700 -0.071 0.000 1.653 444 H N -1.410 117.700 119.070 0.067 0.000 2.654 444 H HA 0.128 4.687 4.556 0.004 0.000 0.376 444 H C 1.515 176.845 175.328 0.003 0.000 1.503 444 H CA -0.584 55.481 56.048 0.028 0.000 1.464 444 H CB -0.283 29.456 29.762 -0.038 0.000 1.565 444 H HN -0.175 nan 8.280 nan 0.000 0.614 445 L N -1.322 119.972 121.223 0.119 0.000 2.013 445 L HA -0.212 4.130 4.340 0.004 0.000 0.212 445 L C 2.734 179.634 176.870 0.050 0.000 1.073 445 L CA 2.008 56.785 54.840 -0.106 0.000 0.753 445 L CB -0.501 41.471 42.059 -0.145 0.000 0.890 445 L HN 0.742 nan 8.230 nan 0.000 0.432 446 Q N -0.077 119.868 119.800 0.241 0.000 2.369 446 Q HA -0.132 4.211 4.340 0.004 0.000 0.206 446 Q C 1.164 177.193 176.000 0.049 0.000 0.963 446 Q CA 0.936 56.830 55.803 0.152 0.000 0.894 446 Q CB 0.043 28.896 28.738 0.191 0.000 0.965 446 Q HN 0.490 nan 8.270 nan 0.000 0.475 447 N N -0.063 118.557 118.700 -0.134 0.000 2.322 447 N HA 0.056 4.799 4.740 0.004 0.000 0.194 447 N C -0.689 174.747 175.510 -0.124 0.000 1.126 447 N CA 0.126 53.038 53.050 -0.229 0.000 0.845 447 N CB 0.664 38.867 38.487 -0.473 0.000 0.976 447 N HN -0.061 nan 8.380 nan 0.000 0.475 448 S N -0.215 115.464 115.700 -0.036 0.000 2.500 448 S HA 0.559 5.032 4.470 0.004 0.000 0.301 448 S C -0.438 174.175 174.600 0.022 0.000 1.092 448 S CA -0.651 57.563 58.200 0.023 0.000 1.030 448 S CB 2.732 66.061 63.200 0.215 0.000 1.031 448 S HN -0.202 nan 8.310 nan 0.000 0.483 449 V N 3.789 123.675 119.914 -0.046 0.000 2.398 449 V HA 0.322 4.445 4.120 0.004 0.000 0.282 449 V C -0.433 175.649 176.094 -0.021 0.000 1.014 449 V CA -0.699 61.568 62.300 -0.054 0.000 0.838 449 V CB 1.216 32.862 31.823 -0.296 0.000 1.018 449 V HN 0.794 nan 8.190 nan 0.000 0.432 450 L N 6.293 127.583 121.223 0.113 0.000 2.513 450 L HA 0.278 4.620 4.340 0.004 0.000 0.272 450 L C -0.095 176.844 176.870 0.116 0.000 1.187 450 L CA 0.933 55.873 54.840 0.166 0.000 0.895 450 L CB 0.886 43.131 42.059 0.310 0.000 1.147 450 L HN 0.453 nan 8.230 nan 0.000 0.483 451 V N 5.905 125.852 119.914 0.055 0.000 2.370 451 V HA 0.448 4.571 4.120 0.004 0.000 0.283 451 V C -0.442 175.699 176.094 0.078 0.000 1.023 451 V CA -0.495 61.816 62.300 0.019 0.000 0.857 451 V CB 1.049 32.840 31.823 -0.053 0.000 0.985 451 V HN 1.028 nan 8.190 nan 0.000 0.443 452 H N 2.203 121.299 119.070 0.043 0.000 2.821 452 H HA 0.755 5.313 4.556 0.005 0.000 0.373 452 H C -0.839 174.488 175.328 -0.002 0.000 1.165 452 H CA -1.034 55.042 56.048 0.046 0.000 1.154 452 H CB 1.732 31.584 29.762 0.150 0.000 1.765 452 H HN 0.462 nan 8.280 nan 0.000 0.549 453 Q N 1.662 121.511 119.800 0.083 0.000 2.401 453 Q HA 0.243 4.585 4.340 0.004 0.000 0.260 453 Q C -0.991 175.027 176.000 0.029 0.000 1.034 453 Q CA -0.533 55.270 55.803 0.001 0.000 0.737 453 Q CB 0.764 29.485 28.738 -0.029 0.000 1.227 453 Q HN 0.839 nan 8.270 nan 0.000 0.488 454 Q N 2.232 122.044 119.800 0.019 0.000 2.463 454 Q HA -0.300 4.043 4.340 0.004 0.000 0.299 454 Q C 0.628 176.419 176.000 -0.349 0.000 1.353 454 Q CA 0.824 56.546 55.803 -0.136 0.000 0.828 454 Q CB -1.634 27.074 28.738 -0.050 0.000 1.157 454 Q HN 1.182 nan 8.270 nan 0.000 0.436 455 G N -0.882 107.663 108.800 -0.426 0.000 2.253 455 G HA2 -0.367 3.596 3.960 0.004 0.000 0.251 455 G HA3 -0.367 3.596 3.960 0.004 0.000 0.251 455 G C 0.060 175.128 174.900 0.280 0.000 0.998 455 G CA 0.301 45.216 45.100 -0.308 0.000 0.621 455 G HN 0.281 nan 8.290 nan 0.000 0.524 456 R N 1.717 122.299 120.500 0.138 0.000 2.267 456 R HA 0.510 4.852 4.340 0.004 0.000 0.319 456 R C -2.444 173.879 176.300 0.039 0.000 1.067 456 R CA -1.777 54.377 56.100 0.089 0.000 0.936 456 R CB 0.596 30.877 30.300 -0.031 0.000 1.006 456 R HN 0.151 nan 8.270 nan 0.000 0.452 457 P HA -0.018 nan 4.420 nan 0.000 0.266 457 P C -0.241 177.002 177.300 -0.095 0.000 1.215 457 P CA 0.089 63.110 63.100 -0.131 0.000 0.763 457 P CB 1.028 32.504 31.700 -0.373 0.000 0.806 458 Q N 1.830 121.609 119.800 -0.035 0.000 2.388 458 Q HA 0.138 4.480 4.340 0.004 0.000 0.204 458 Q C 0.259 176.215 176.000 -0.074 0.000 0.946 458 Q CA 1.350 57.122 55.803 -0.052 0.000 0.880 458 Q CB 0.327 29.044 28.738 -0.036 0.000 0.997 458 Q HN 0.588 nan 8.270 nan 0.000 0.552 459 Q N -0.693 119.064 119.800 -0.072 0.000 2.416 459 Q HA 0.554 4.896 4.340 0.004 0.000 0.281 459 Q C -1.423 174.511 176.000 -0.110 0.000 1.067 459 Q CA -0.524 55.220 55.803 -0.099 0.000 0.809 459 Q CB 3.140 31.825 28.738 -0.088 0.000 1.418 459 Q HN -0.154 nan 8.270 nan 0.000 0.411 460 V N 2.440 122.260 119.914 -0.157 0.000 2.277 460 V HA 0.265 4.388 4.120 0.004 0.000 0.269 460 V C -0.345 175.662 176.094 -0.146 0.000 1.036 460 V CA -0.518 61.691 62.300 -0.152 0.000 0.821 460 V CB 0.740 32.404 31.823 -0.266 0.000 1.052 460 V HN 0.648 nan 8.190 nan 0.000 0.462 461 L N 5.979 127.094 121.223 -0.180 0.000 2.456 461 L HA 0.399 4.742 4.340 0.004 0.000 0.272 461 L C -0.545 176.195 176.870 -0.218 0.000 1.189 461 L CA 0.363 55.056 54.840 -0.246 0.000 0.846 461 L CB 0.489 42.275 42.059 -0.455 0.000 1.111 461 L HN 0.472 nan 8.230 nan 0.000 0.475 462 L N 5.511 126.621 121.223 -0.189 0.000 2.342 462 L HA 0.703 5.046 4.340 0.004 0.000 0.271 462 L C -0.357 176.388 176.870 -0.208 0.000 1.008 462 L CA -0.873 53.871 54.840 -0.160 0.000 0.818 462 L CB 1.907 43.904 42.059 -0.104 0.000 1.296 462 L HN 0.754 nan 8.230 nan 0.000 0.427 463 R N 0.232 120.608 120.500 -0.206 0.000 2.766 463 R HA 0.636 4.979 4.340 0.004 0.000 0.270 463 R C -1.796 174.357 176.300 -0.245 0.000 1.035 463 R CA -0.869 55.063 56.100 -0.280 0.000 0.911 463 R CB 1.660 31.811 30.300 -0.248 0.000 1.243 463 R HN 0.476 nan 8.270 nan 0.000 0.460 464 D N -0.120 120.075 120.400 -0.342 0.000 3.716 464 D HA -0.101 4.542 4.640 0.004 0.000 0.220 464 D C -0.929 175.373 176.300 0.003 0.000 1.213 464 D CA 0.087 53.971 54.000 -0.193 0.000 0.781 464 D CB -0.448 40.285 40.800 -0.112 0.000 0.506 464 D HN 0.498 nan 8.370 nan 0.000 0.222 465 F N 1.773 121.688 119.950 -0.057 0.000 2.743 465 F HA 0.140 4.670 4.527 0.004 0.000 0.297 465 F C 2.313 178.118 175.800 0.009 0.000 1.131 465 F CA 0.774 58.766 58.000 -0.013 0.000 1.426 465 F CB -0.181 38.825 39.000 0.009 0.000 1.116 465 F HN 0.533 nan 8.300 nan 0.000 0.583 466 E N 0.286 120.587 120.200 0.168 0.000 2.110 466 E HA -0.124 4.229 4.350 0.004 0.000 0.193 466 E C 2.086 178.729 176.600 0.072 0.000 0.988 466 E CA 1.189 57.646 56.400 0.095 0.000 0.804 466 E CB -0.365 29.370 29.700 0.058 0.000 0.745 466 E HN 0.317 nan 8.360 nan 0.000 0.458 467 G N 0.730 109.575 108.800 0.074 0.000 3.448 467 G HA2 0.208 4.171 3.960 0.004 0.000 0.261 467 G HA3 0.208 4.171 3.960 0.004 0.000 0.261 467 G C -0.172 174.743 174.900 0.025 0.000 1.173 467 G CA -0.330 44.797 45.100 0.046 0.000 0.835 467 G HN 0.033 nan 8.290 nan 0.000 0.534 468 V N 1.344 121.295 119.914 0.061 0.000 2.465 468 V HA 0.442 4.565 4.120 0.004 0.000 0.279 468 V C -0.266 175.802 176.094 -0.043 0.000 1.045 468 V CA -0.520 61.825 62.300 0.074 0.000 0.938 468 V CB 1.499 33.447 31.823 0.209 0.000 0.986 468 V HN 0.072 nan 8.190 nan 0.000 0.467 469 K N 4.487 124.829 120.400 -0.097 0.000 2.352 469 K HA 0.744 5.067 4.320 0.004 0.000 0.240 469 K C -1.129 175.444 176.600 -0.046 0.000 1.017 469 K CA -0.754 55.422 56.287 -0.185 0.000 0.851 469 K CB 2.485 34.639 32.500 -0.578 0.000 1.261 469 K HN 0.441 nan 8.250 nan 0.000 0.451 470 L N 1.253 122.470 121.223 -0.010 0.000 2.406 470 L HA 0.313 4.656 4.340 0.004 0.000 0.272 470 L C 0.138 177.051 176.870 0.071 0.000 0.980 470 L CA -0.987 53.870 54.840 0.029 0.000 0.831 470 L CB 2.029 44.097 42.059 0.015 0.000 1.253 470 L HN 0.712 nan 8.230 nan 0.000 0.406 471 T N -2.891 111.700 114.554 0.062 0.000 2.884 471 T HA 0.066 4.419 4.350 0.004 0.000 0.298 471 T C 1.002 175.717 174.700 0.026 0.000 0.998 471 T CA -0.567 61.575 62.100 0.069 0.000 1.124 471 T CB 1.036 69.908 68.868 0.006 0.000 0.931 471 T HN 0.689 nan 8.240 nan 0.000 0.531 472 D N 1.935 122.359 120.400 0.040 0.000 2.265 472 D HA -0.210 4.433 4.640 0.004 0.000 0.208 472 D C 1.242 177.532 176.300 -0.016 0.000 0.977 472 D CA 1.463 55.471 54.000 0.014 0.000 0.871 472 D CB -0.224 40.589 40.800 0.021 0.000 0.925 472 D HN 0.812 nan 8.370 nan 0.000 0.485 473 D N -0.839 119.543 120.400 -0.030 0.000 2.366 473 D HA -0.013 4.629 4.640 0.004 0.000 0.205 473 D C 1.628 177.882 176.300 -0.077 0.000 1.022 473 D CA 0.021 53.991 54.000 -0.050 0.000 0.868 473 D CB 0.132 40.903 40.800 -0.047 0.000 0.953 473 D HN 0.353 nan 8.370 nan 0.000 0.514 474 L N -0.401 120.768 121.223 -0.090 0.000 2.186 474 L HA 0.382 4.724 4.340 0.004 0.000 0.182 474 L C 2.086 178.896 176.870 -0.100 0.000 1.190 474 L CA 1.360 56.131 54.840 -0.115 0.000 1.051 474 L CB -0.387 41.591 42.059 -0.136 0.000 2.162 474 L HN -0.019 nan 8.230 nan 0.000 0.494 475 G N 0.515 109.291 108.800 -0.039 0.000 2.450 475 G HA2 -0.249 3.714 3.960 0.004 0.000 0.220 475 G HA3 -0.249 3.714 3.960 0.004 0.000 0.220 475 G C 1.461 176.405 174.900 0.073 0.000 1.130 475 G CA 1.139 46.286 45.100 0.079 0.000 0.760 475 G HN 0.328 nan 8.290 nan 0.000 0.557 476 I N 0.555 121.126 120.570 0.001 0.000 2.423 476 I HA -0.066 4.107 4.170 0.004 0.000 0.254 476 I C 2.484 178.580 176.117 -0.036 0.000 1.151 476 I CA 0.735 62.033 61.300 -0.003 0.000 1.421 476 I CB -0.064 37.931 38.000 -0.008 0.000 1.079 476 I HN 0.058 nan 8.210 nan 0.000 0.431 477 R N -1.367 119.056 120.500 -0.129 0.000 2.313 477 R HA -0.051 4.292 4.340 0.004 0.000 0.199 477 R C 1.287 177.433 176.300 -0.257 0.000 0.958 477 R CA 0.286 56.270 56.100 -0.193 0.000 1.047 477 R CB -0.077 30.085 30.300 -0.230 0.000 0.955 477 R HN 0.374 nan 8.270 nan 0.000 0.481 478 Y N 0.319 120.584 120.300 -0.059 0.000 2.475 478 Y HA 0.086 4.639 4.550 0.004 0.000 0.289 478 Y C 0.991 176.860 175.900 -0.052 0.000 1.121 478 Y CA 0.102 58.161 58.100 -0.068 0.000 1.257 478 Y CB 0.208 38.600 38.460 -0.113 0.000 1.026 478 Y HN -0.095 nan 8.280 nan 0.000 0.555 479 I N 1.263 121.881 120.570 0.080 0.000 2.496 479 I HA -0.001 4.172 4.170 0.004 0.000 0.285 479 I C -0.356 175.778 176.117 0.028 0.000 1.080 479 I CA -0.337 60.990 61.300 0.046 0.000 1.404 479 I CB 0.401 38.419 38.000 0.030 0.000 1.403 479 I HN -0.025 nan 8.210 nan 0.000 0.539 480 D N 5.492 125.912 120.400 0.034 0.000 2.417 480 D HA -0.043 4.599 4.640 0.004 0.000 0.250 480 D C 1.021 177.335 176.300 0.023 0.000 1.166 480 D CA 0.050 54.066 54.000 0.028 0.000 0.881 480 D CB 0.566 41.388 40.800 0.036 0.000 1.164 480 D HN 0.508 nan 8.370 nan 0.000 0.467 481 D N 1.408 121.816 120.400 0.013 0.000 2.403 481 D HA -0.189 4.454 4.640 0.004 0.000 0.227 481 D C 0.390 176.699 176.300 0.014 0.000 0.995 481 D CA 0.452 54.457 54.000 0.008 0.000 0.928 481 D CB -0.036 40.764 40.800 -0.000 0.000 0.887 481 D HN 0.515 nan 8.370 nan 0.000 0.529 482 D N -0.311 120.105 120.400 0.026 0.000 2.360 482 D HA 0.006 4.649 4.640 0.004 0.000 0.210 482 D C 0.760 177.094 176.300 0.057 0.000 1.047 482 D CA -0.528 53.492 54.000 0.035 0.000 0.854 482 D CB 0.041 40.863 40.800 0.037 0.000 0.936 482 D HN 0.041 nan 8.370 nan 0.000 0.514 483 I N 2.128 122.736 120.570 0.063 0.000 2.648 483 I HA -0.009 4.163 4.170 0.004 0.000 0.284 483 I C 1.000 177.190 176.117 0.122 0.000 1.153 483 I CA -0.330 61.029 61.300 0.099 0.000 1.426 483 I CB -0.366 37.682 38.000 0.080 0.000 1.381 483 I HN 0.279 nan 8.210 nan 0.000 0.571 484 H N 9.274 128.408 119.070 0.106 0.000 3.140 484 H HA -0.032 4.527 4.556 0.004 0.000 0.316 484 H C -1.425 173.959 175.328 0.094 0.000 0.986 484 H CA -0.616 55.516 56.048 0.140 0.000 1.397 484 H CB 0.987 30.908 29.762 0.265 0.000 1.377 484 H HN 0.345 nan 8.280 nan 0.000 0.585 485 P HA -0.189 nan 4.420 nan 0.000 0.217 485 P C 1.527 178.884 177.300 0.095 0.000 1.148 485 P CA 1.193 64.275 63.100 -0.031 0.000 0.828 485 P CB 0.286 31.914 31.700 -0.120 0.000 0.783 486 R N 0.440 121.157 120.500 0.361 0.000 2.115 486 R HA -0.041 4.301 4.340 0.004 0.000 0.230 486 R C 2.054 178.282 176.300 -0.120 0.000 1.111 486 R CA 1.154 57.337 56.100 0.139 0.000 0.976 486 R CB -1.500 28.959 30.300 0.265 0.000 0.870 486 R HN 0.029 nan 8.270 nan 0.000 0.445 487 V N 0.289 120.207 119.914 0.006 0.000 2.453 487 V HA -0.091 4.032 4.120 0.004 0.000 0.247 487 V C 2.468 178.541 176.094 -0.035 0.000 1.048 487 V CA 1.931 64.189 62.300 -0.069 0.000 1.049 487 V CB -0.605 31.219 31.823 0.003 0.000 0.672 487 V HN 0.314 nan 8.190 nan 0.000 0.457 488 R N 0.050 120.556 120.500 0.010 0.000 2.081 488 R HA -0.221 4.122 4.340 0.004 0.000 0.235 488 R C 2.478 178.769 176.300 -0.015 0.000 1.131 488 R CA 1.971 58.074 56.100 0.005 0.000 0.960 488 R CB -0.249 30.061 30.300 0.015 0.000 0.856 488 R HN 0.661 nan 8.270 nan 0.000 0.436 489 Q N -0.218 119.559 119.800 -0.038 0.000 2.079 489 Q HA -0.160 4.183 4.340 0.004 0.000 0.200 489 Q C 1.988 177.947 176.000 -0.067 0.000 0.974 489 Q CA 1.966 57.740 55.803 -0.049 0.000 0.840 489 Q CB -0.177 28.517 28.738 -0.074 0.000 0.898 489 Q HN 0.282 nan 8.270 nan 0.000 0.430 490 S N -0.084 115.528 115.700 -0.146 0.000 2.387 490 S HA -0.130 4.342 4.470 0.004 0.000 0.230 490 S C 1.869 176.442 174.600 -0.046 0.000 1.035 490 S CA 1.199 59.322 58.200 -0.129 0.000 1.014 490 S CB -0.178 62.929 63.200 -0.155 0.000 0.836 490 S HN 0.490 nan 8.310 nan 0.000 0.466 491 L N 0.235 121.437 121.223 -0.035 0.000 2.249 491 L HA 0.335 4.678 4.340 0.004 0.000 0.207 491 L C 1.086 177.947 176.870 -0.016 0.000 1.090 491 L CA 0.051 54.870 54.840 -0.034 0.000 0.802 491 L CB -0.185 41.863 42.059 -0.019 0.000 0.947 491 L HN 0.308 nan 8.230 nan 0.000 0.453 492 L N 0.529 121.774 121.223 0.036 0.000 2.410 492 L HA 0.088 4.430 4.340 0.004 0.000 0.273 492 L C -0.953 176.067 176.870 0.250 0.000 1.144 492 L CA 0.057 54.955 54.840 0.095 0.000 0.863 492 L CB 0.329 42.428 42.059 0.067 0.000 1.140 492 L HN -0.079 nan 8.230 nan 0.000 0.463 493 Y N 2.507 122.831 120.300 0.039 0.000 2.524 493 Y HA 0.372 4.925 4.550 0.004 0.000 0.344 493 Y C 0.380 176.311 175.900 0.053 0.000 1.012 493 Y CA -1.559 56.574 58.100 0.054 0.000 1.068 493 Y CB 2.128 40.640 38.460 0.088 0.000 1.249 493 Y HN 0.684 nan 8.280 nan 0.000 0.468 494 S N 2.377 118.122 115.700 0.076 0.000 2.603 494 S HA 0.252 4.725 4.470 0.004 0.000 0.268 494 S C 1.342 176.008 174.600 0.111 0.000 1.317 494 S CA -0.541 57.688 58.200 0.049 0.000 1.012 494 S CB 1.145 64.335 63.200 -0.017 0.000 0.926 494 S HN 0.844 nan 8.310 nan 0.000 0.539 495 R N 0.714 121.282 120.500 0.113 0.000 2.091 495 R HA -0.168 4.175 4.340 0.004 0.000 0.238 495 R C 2.219 178.689 176.300 0.283 0.000 1.136 495 R CA 1.948 58.168 56.100 0.200 0.000 0.959 495 R CB -0.412 29.953 30.300 0.107 0.000 0.856 495 R HN 0.939 nan 8.270 nan 0.000 0.437 496 E N -0.047 120.244 120.200 0.153 0.000 2.106 496 E HA -0.226 4.127 4.350 0.004 0.000 0.192 496 E C 1.955 178.588 176.600 0.055 0.000 0.984 496 E CA 1.031 57.514 56.400 0.139 0.000 0.806 496 E CB 0.106 29.841 29.700 0.057 0.000 0.750 496 E HN 0.459 nan 8.360 nan 0.000 0.458 497 Q N -0.589 119.175 119.800 -0.060 0.000 2.046 497 Q HA -0.097 4.246 4.340 0.004 0.000 0.200 497 Q C 2.117 178.029 176.000 -0.146 0.000 0.975 497 Q CA 1.342 56.972 55.803 -0.287 0.000 0.836 497 Q CB -0.163 28.224 28.738 -0.585 0.000 0.896 497 Q HN 0.369 nan 8.270 nan 0.000 0.428 498 G N 0.309 109.213 108.800 0.173 0.000 2.421 498 G HA2 -0.282 3.681 3.960 0.004 0.000 0.216 498 G HA3 -0.282 3.681 3.960 0.004 0.000 0.216 498 G C 1.071 176.065 174.900 0.158 0.000 1.171 498 G CA 0.461 45.821 45.100 0.433 0.000 0.775 498 G HN 0.543 nan 8.290 nan 0.000 0.543 499 W N 1.368 122.597 121.300 -0.118 0.000 2.388 499 W HA -0.099 4.564 4.660 0.005 0.000 0.294 499 W C 2.034 178.477 176.519 -0.128 0.000 1.212 499 W CA 0.974 58.113 57.345 -0.344 0.000 1.271 499 W CB -0.020 29.336 29.460 -0.174 0.000 1.126 499 W HN 0.158 nan 8.180 nan 0.000 0.535 500 N N 0.786 119.391 118.700 -0.160 0.000 2.084 500 N HA -0.232 4.510 4.740 0.004 0.000 0.190 500 N C 1.918 177.359 175.510 -0.116 0.000 1.030 500 N CA 2.059 54.947 53.050 -0.271 0.000 0.849 500 N CB -0.879 37.333 38.487 -0.458 0.000 1.012 500 N HN 0.264 nan 8.380 nan 0.000 0.423 501 R N 0.765 121.271 120.500 0.010 0.000 2.096 501 R HA 0.017 4.360 4.340 0.004 0.000 0.235 501 R C 2.089 178.433 176.300 0.073 0.000 1.127 501 R CA 0.934 57.164 56.100 0.216 0.000 0.968 501 R CB -0.313 30.178 30.300 0.319 0.000 0.861 501 R HN 0.191 nan 8.270 nan 0.000 0.440 502 I N 0.768 121.255 120.570 -0.137 0.000 2.202 502 I HA -0.306 3.867 4.170 0.004 0.000 0.242 502 I C 2.503 178.397 176.117 -0.373 0.000 1.091 502 I CA 1.374 62.512 61.300 -0.271 0.000 1.368 502 I CB -0.199 37.570 38.000 -0.386 0.000 1.058 502 I HN 0.299 nan 8.210 nan 0.000 0.410 503 M N -0.417 118.827 119.600 -0.593 0.000 2.110 503 M HA -0.309 4.174 4.480 0.004 0.000 0.257 503 M C 2.524 178.828 176.300 0.006 0.000 1.071 503 M CA 2.264 57.383 55.300 -0.300 0.000 1.096 503 M CB -0.910 31.421 32.600 -0.448 0.000 1.300 503 M HN 0.256 nan 8.290 nan 0.000 0.411 504 Y N 0.638 120.893 120.300 -0.074 0.000 2.036 504 Y HA -0.302 4.251 4.550 0.004 0.000 0.273 504 Y C 2.588 178.470 175.900 -0.030 0.000 1.135 504 Y CA 1.691 59.773 58.100 -0.030 0.000 1.106 504 Y CB -1.098 37.389 38.460 0.044 0.000 0.976 504 Y HN 0.266 nan 8.280 nan 0.000 0.483 505 C N 0.784 119.872 119.300 -0.353 0.000 2.376 505 C HA -0.251 4.212 4.460 0.004 0.000 0.275 505 C C 2.977 177.786 174.990 -0.302 0.000 1.200 505 C CA 1.585 60.376 59.018 -0.378 0.000 1.756 505 C CB -1.608 26.095 27.740 -0.063 0.000 2.050 505 C HN 0.687 nan 8.230 nan 0.000 0.460 506 L N -1.203 119.796 121.223 -0.373 0.000 2.027 506 L HA -0.092 4.251 4.340 0.004 0.000 0.206 506 L C 2.266 178.827 176.870 -0.515 0.000 1.074 506 L CA 1.847 56.326 54.840 -0.602 0.000 0.745 506 L CB -0.430 40.998 42.059 -1.052 0.000 0.898 506 L HN 0.336 nan 8.230 nan 0.000 0.433 507 F N -1.417 118.556 119.950 0.039 0.000 2.419 507 F HA 0.075 4.605 4.527 0.004 0.000 0.283 507 F C 2.188 178.078 175.800 0.151 0.000 1.044 507 F CA 0.291 58.451 58.000 0.265 0.000 1.376 507 F CB -0.077 39.102 39.000 0.299 0.000 1.131 507 F HN -0.169 nan 8.300 nan 0.000 0.585 508 I N 0.092 120.598 120.570 -0.107 0.000 2.270 508 I HA -0.209 3.964 4.170 0.004 0.000 0.239 508 I C 2.393 178.416 176.117 -0.156 0.000 1.080 508 I CA 1.076 62.195 61.300 -0.303 0.000 1.383 508 I CB -0.462 37.301 38.000 -0.394 0.000 1.097 508 I HN 0.189 nan 8.210 nan 0.000 0.420 509 N N 0.154 118.600 118.700 -0.422 0.000 2.270 509 N HA -0.209 4.534 4.740 0.004 0.000 0.181 509 N C 1.691 177.130 175.510 -0.120 0.000 1.016 509 N CA 1.685 54.512 53.050 -0.371 0.000 0.870 509 N CB 0.162 38.192 38.487 -0.761 0.000 0.979 509 N HN 0.498 nan 8.380 nan 0.000 0.431 510 H N -0.635 118.346 119.070 -0.148 0.000 2.356 510 H HA 0.290 4.848 4.556 0.004 0.000 0.306 510 H C 2.221 177.532 175.328 -0.029 0.000 1.142 510 H CA 0.103 56.114 56.048 -0.062 0.000 1.673 510 H CB -0.101 29.623 29.762 -0.063 0.000 1.505 510 H HN -0.072 nan 8.280 nan 0.000 0.638 511 L N 0.070 121.472 121.223 0.298 0.000 2.079 511 L HA -0.180 4.163 4.340 0.004 0.000 0.210 511 L C 2.622 179.557 176.870 0.108 0.000 1.081 511 L CA 1.203 56.187 54.840 0.240 0.000 0.752 511 L CB -0.429 41.832 42.059 0.335 0.000 0.896 511 L HN 0.337 nan 8.230 nan 0.000 0.433 512 S N -0.645 115.260 115.700 0.342 0.000 2.383 512 S HA -0.175 4.298 4.470 0.004 0.000 0.229 512 S C 1.908 176.557 174.600 0.082 0.000 1.030 512 S CA 1.226 59.666 58.200 0.401 0.000 1.002 512 S CB -0.047 63.518 63.200 0.609 0.000 0.829 512 S HN 0.375 nan 8.310 nan 0.000 0.467 513 E N 0.565 120.775 120.200 0.016 0.000 2.072 513 E HA -0.052 4.300 4.350 0.004 0.000 0.190 513 E C 2.271 178.741 176.600 -0.218 0.000 0.982 513 E CA 1.175 57.537 56.400 -0.063 0.000 0.803 513 E CB -1.068 28.608 29.700 -0.041 0.000 0.755 513 E HN 0.483 nan 8.360 nan 0.000 0.453 514 T N 2.001 116.276 114.554 -0.465 0.000 2.624 514 T HA -0.167 4.186 4.350 0.004 0.000 0.268 514 T C 2.122 176.557 174.700 -0.441 0.000 1.041 514 T CA 1.391 62.945 62.100 -0.909 0.000 1.159 514 T CB -0.314 68.153 68.868 -0.668 0.000 0.863 514 T HN 0.120 nan 8.240 nan 0.000 0.434 515 I N 0.210 120.531 120.570 -0.415 0.000 2.315 515 I HA -0.092 4.080 4.170 0.004 0.000 0.248 515 I C 2.277 178.221 176.117 -0.289 0.000 1.117 515 I CA 0.782 61.769 61.300 -0.522 0.000 1.404 515 I CB -0.234 37.281 38.000 -0.809 0.000 1.071 515 I HN 0.153 nan 8.210 nan 0.000 0.419 516 L N 0.700 121.808 121.223 -0.190 0.000 2.156 516 L HA -0.053 4.290 4.340 0.004 0.000 0.208 516 L C 2.447 179.320 176.870 0.004 0.000 1.095 516 L CA 1.717 56.478 54.840 -0.131 0.000 0.770 516 L CB -0.428 41.517 42.059 -0.190 0.000 0.914 516 L HN 0.148 nan 8.230 nan 0.000 0.439 517 A N -0.784 122.046 122.820 0.017 0.000 1.930 517 A HA -0.031 4.292 4.320 0.004 0.000 0.215 517 A C 2.114 179.739 177.584 0.067 0.000 1.176 517 A CA 1.338 53.444 52.037 0.115 0.000 0.632 517 A CB -0.675 18.438 19.000 0.188 0.000 0.819 517 A HN 0.442 nan 8.150 nan 0.000 0.445 518 L N 0.300 121.526 121.223 0.005 0.000 2.478 518 L HA -0.029 4.313 4.340 0.004 0.000 0.223 518 L C 1.904 178.745 176.870 -0.048 0.000 1.140 518 L CA 1.187 56.005 54.840 -0.036 0.000 0.842 518 L CB 0.064 42.103 42.059 -0.034 0.000 0.953 518 L HN 0.547 nan 8.230 nan 0.000 0.452 519 S N -2.785 112.897 115.700 -0.030 0.000 2.819 519 S HA 0.072 4.544 4.470 0.004 0.000 0.249 519 S C 0.614 175.234 174.600 0.032 0.000 1.030 519 S CA -0.557 57.627 58.200 -0.028 0.000 1.052 519 S CB 0.083 63.237 63.200 -0.077 0.000 1.017 519 S HN 0.213 nan 8.310 nan 0.000 0.576 520 Q N 1.383 121.230 119.800 0.078 0.000 2.310 520 Q HA 0.189 4.532 4.340 0.004 0.000 0.315 520 Q C 1.423 177.373 176.000 -0.084 0.000 1.081 520 Q CA 2.005 57.774 55.803 -0.056 0.000 0.981 520 Q CB 0.124 28.758 28.738 -0.174 0.000 1.184 520 Q HN 0.923 nan 8.270 nan 0.000 0.389 521 G N 4.404 113.141 108.800 -0.105 0.000 2.220 521 G HA2 -0.329 3.633 3.960 0.004 0.000 0.269 521 G HA3 -0.329 3.633 3.960 0.004 0.000 0.269 521 G C 0.245 175.125 174.900 -0.033 0.000 0.977 521 G CA 0.706 45.766 45.100 -0.067 0.000 0.634 521 G HN 0.654 nan 8.290 nan 0.000 0.539 522 R N 0.153 120.640 120.500 -0.022 0.000 2.701 522 R HA 0.266 4.609 4.340 0.004 0.000 0.281 522 R C -1.745 174.549 176.300 -0.011 0.000 1.367 522 R CA -1.048 55.042 56.100 -0.016 0.000 1.510 522 R CB 1.334 31.620 30.300 -0.023 0.000 1.306 522 R HN 0.203 nan 8.270 nan 0.000 0.682 523 P HA -0.275 nan 4.420 nan 0.000 0.220 523 P C 1.065 178.357 177.300 -0.012 0.000 1.144 523 P CA 1.222 64.322 63.100 -0.000 0.000 0.800 523 P CB 0.341 32.043 31.700 0.004 0.000 0.772 524 Q N 0.235 120.030 119.800 -0.009 0.000 2.364 524 Q HA -0.108 4.235 4.340 0.004 0.000 0.209 524 Q C 1.944 177.938 176.000 -0.010 0.000 0.977 524 Q CA 1.152 56.952 55.803 -0.005 0.000 0.885 524 Q CB -1.239 27.500 28.738 0.001 0.000 0.941 524 Q HN 0.323 nan 8.270 nan 0.000 0.464 525 L N 0.468 121.674 121.223 -0.029 0.000 2.291 525 L HA -0.007 4.335 4.340 0.004 0.000 0.214 525 L C 2.638 179.455 176.870 -0.090 0.000 1.120 525 L CA 0.658 55.467 54.840 -0.052 0.000 0.799 525 L CB -0.589 41.427 42.059 -0.072 0.000 0.925 525 L HN 0.235 nan 8.230 nan 0.000 0.446 526 A N 1.212 123.983 122.820 -0.081 0.000 1.858 526 A HA -0.099 4.224 4.320 0.004 0.000 0.216 526 A C 0.015 177.624 177.584 0.041 0.000 1.190 526 A CA 1.500 53.478 52.037 -0.099 0.000 0.617 526 A CB -1.838 17.147 19.000 -0.024 0.000 0.827 526 A HN 0.262 nan 8.150 nan 0.000 0.443 527 P HA -0.171 nan 4.420 nan 0.000 0.216 527 P C 1.517 178.898 177.300 0.135 0.000 1.150 527 P CA 1.074 64.265 63.100 0.153 0.000 0.843 527 P CB -0.218 31.532 31.700 0.084 0.000 0.787 528 L N -1.930 119.329 121.223 0.061 0.000 2.109 528 L HA -0.072 4.271 4.340 0.004 0.000 0.207 528 L C 2.888 179.795 176.870 0.062 0.000 1.086 528 L CA 1.340 56.214 54.840 0.056 0.000 0.760 528 L CB -0.692 41.387 42.059 0.033 0.000 0.910 528 L HN -0.089 nan 8.230 nan 0.000 0.437 529 M N -1.868 117.701 119.600 -0.052 0.000 2.132 529 M HA -0.206 4.276 4.480 0.004 0.000 0.263 529 M C 2.163 178.493 176.300 0.049 0.000 1.065 529 M CA 2.058 57.257 55.300 -0.169 0.000 1.122 529 M CB -0.436 31.638 32.600 -0.877 0.000 1.365 529 M HN 0.249 nan 8.290 nan 0.000 0.411 530 W N 0.401 121.736 121.300 0.060 0.000 2.358 530 W HA -0.171 4.492 4.660 0.004 0.000 0.303 530 W C 2.700 179.255 176.519 0.060 0.000 1.208 530 W CA 0.722 58.166 57.345 0.165 0.000 1.274 530 W CB -0.187 29.395 29.460 0.204 0.000 1.138 530 W HN 0.204 nan 8.180 nan 0.000 0.515 531 R N 0.827 121.497 120.500 0.282 0.000 2.105 531 R HA -0.221 4.122 4.340 0.004 0.000 0.239 531 R C 2.225 178.536 176.300 0.017 0.000 1.135 531 R CA 1.758 57.913 56.100 0.090 0.000 0.967 531 R CB -0.289 30.068 30.300 0.095 0.000 0.861 531 R HN -0.049 nan 8.270 nan 0.000 0.442 532 R N 0.104 120.670 120.500 0.110 0.000 2.115 532 R HA -0.044 4.298 4.340 0.004 0.000 0.230 532 R C 1.893 178.240 176.300 0.078 0.000 1.111 532 R CA 1.379 57.544 56.100 0.109 0.000 0.976 532 R CB -0.454 29.975 30.300 0.214 0.000 0.870 532 R HN 0.126 nan 8.270 nan 0.000 0.445 533 V N 0.709 120.710 119.914 0.146 0.000 2.270 533 V HA -0.254 3.869 4.120 0.004 0.000 0.245 533 V C 2.438 178.407 176.094 -0.209 0.000 1.043 533 V CA 2.179 64.547 62.300 0.113 0.000 1.014 533 V CB -0.701 31.396 31.823 0.458 0.000 0.645 533 V HN 0.485 nan 8.190 nan 0.000 0.447 534 Q N -0.144 119.278 119.800 -0.631 0.000 1.998 534 Q HA -0.349 3.994 4.340 0.004 0.000 0.209 534 Q C 2.377 178.177 176.000 -0.333 0.000 1.002 534 Q CA 2.653 57.945 55.803 -0.852 0.000 0.858 534 Q CB -0.242 27.843 28.738 -1.089 0.000 0.932 534 Q HN 0.690 nan 8.270 nan 0.000 0.416 535 Q N -0.344 119.334 119.800 -0.204 0.000 2.133 535 Q HA -0.298 4.045 4.340 0.004 0.000 0.208 535 Q C 2.112 178.077 176.000 -0.059 0.000 0.991 535 Q CA 2.042 57.789 55.803 -0.094 0.000 0.867 535 Q CB -0.158 28.551 28.738 -0.049 0.000 0.911 535 Q HN 0.360 nan 8.270 nan 0.000 0.417 536 Q N 0.552 120.324 119.800 -0.046 0.000 2.167 536 Q HA -0.101 4.242 4.340 0.004 0.000 0.202 536 Q C 1.757 177.764 176.000 0.011 0.000 0.970 536 Q CA 1.204 57.000 55.803 -0.012 0.000 0.855 536 Q CB -0.076 28.661 28.738 -0.003 0.000 0.911 536 Q HN 0.414 nan 8.270 nan 0.000 0.438 537 L N -0.484 120.745 121.223 0.009 0.000 2.046 537 L HA -0.149 4.194 4.340 0.004 0.000 0.208 537 L C 2.579 179.458 176.870 0.015 0.000 1.077 537 L CA 1.359 56.235 54.840 0.059 0.000 0.747 537 L CB -0.457 41.649 42.059 0.079 0.000 0.896 537 L HN 0.181 nan 8.230 nan 0.000 0.432 538 R N 0.041 120.528 120.500 -0.023 0.000 2.091 538 R HA -0.191 4.151 4.340 0.004 0.000 0.238 538 R C 2.408 178.695 176.300 -0.021 0.000 1.136 538 R CA 1.524 57.608 56.100 -0.027 0.000 0.959 538 R CB -0.465 29.813 30.300 -0.035 0.000 0.856 538 R HN 0.397 nan 8.270 nan 0.000 0.437 539 A N 0.996 123.808 122.820 -0.014 0.000 1.898 539 A HA -0.132 4.191 4.320 0.004 0.000 0.216 539 A C 2.121 179.703 177.584 -0.003 0.000 1.181 539 A CA 1.175 53.207 52.037 -0.009 0.000 0.620 539 A CB -0.418 18.578 19.000 -0.007 0.000 0.819 539 A HN 0.195 nan 8.150 nan 0.000 0.442 540 I N -0.707 119.869 120.570 0.010 0.000 2.286 540 I HA -0.298 3.875 4.170 0.004 0.000 0.248 540 I C 2.761 178.871 176.117 -0.012 0.000 1.115 540 I CA 1.509 62.822 61.300 0.022 0.000 1.392 540 I CB -0.324 37.717 38.000 0.068 0.000 1.065 540 I HN 0.460 nan 8.210 nan 0.000 0.418 541 Q N 0.596 120.372 119.800 -0.040 0.000 2.084 541 Q HA -0.178 4.165 4.340 0.004 0.000 0.202 541 Q C 2.193 178.151 176.000 -0.071 0.000 0.978 541 Q CA 1.702 57.450 55.803 -0.091 0.000 0.844 541 Q CB -0.268 28.412 28.738 -0.097 0.000 0.898 541 Q HN 0.612 nan 8.270 nan 0.000 0.426 542 G N -0.217 108.558 108.800 -0.043 0.000 2.744 542 G HA2 -0.187 3.775 3.960 0.004 0.000 0.211 542 G HA3 -0.187 3.775 3.960 0.004 0.000 0.211 542 G C 0.972 175.858 174.900 -0.022 0.000 1.143 542 G CA 0.198 45.278 45.100 -0.033 0.000 0.788 542 G HN 0.373 nan 8.290 nan 0.000 0.534 543 E N -0.563 119.628 120.200 -0.015 0.000 2.385 543 E HA 0.149 4.502 4.350 0.004 0.000 0.194 543 E C 0.483 177.082 176.600 -0.001 0.000 1.013 543 E CA -0.325 56.074 56.400 -0.001 0.000 0.866 543 E CB 0.012 29.719 29.700 0.012 0.000 0.832 543 E HN 0.271 nan 8.360 nan 0.000 0.500 544 L N 1.560 122.772 121.223 -0.019 0.000 2.326 544 L HA 0.159 4.501 4.340 0.004 0.000 0.278 544 L C 1.086 177.938 176.870 -0.030 0.000 1.092 544 L CA -0.486 54.341 54.840 -0.021 0.000 0.810 544 L CB 1.086 43.112 42.059 -0.055 0.000 1.153 544 L HN -0.102 nan 8.230 nan 0.000 0.439 545 K N 1.258 121.642 120.400 -0.028 0.000 2.361 545 K HA 0.138 4.461 4.320 0.004 0.000 0.196 545 K C 0.215 176.787 176.600 -0.047 0.000 1.039 545 K CA 0.399 56.664 56.287 -0.036 0.000 1.001 545 K CB 0.313 32.792 32.500 -0.035 0.000 0.795 545 K HN 0.506 nan 8.250 nan 0.000 0.495 546 Q N 0.655 120.427 119.800 -0.047 0.000 2.351 546 Q HA 0.381 4.723 4.340 0.004 0.000 0.273 546 Q C -2.368 173.603 176.000 -0.049 0.000 1.077 546 Q CA -2.074 53.703 55.803 -0.043 0.000 0.843 546 Q CB 1.774 30.486 28.738 -0.043 0.000 1.367 546 Q HN -0.008 nan 8.270 nan 0.000 0.449 547 P HA 0.118 nan 4.420 nan 0.000 0.274 547 P C -0.629 176.616 177.300 -0.093 0.000 1.231 547 P CA -0.231 62.823 63.100 -0.077 0.000 0.790 547 P CB 0.666 32.332 31.700 -0.056 0.000 0.951 548 S N -0.237 115.340 115.700 -0.206 0.000 2.407 548 S HA 0.326 4.799 4.470 0.004 0.000 0.166 548 S C -2.239 172.176 174.600 -0.308 0.000 1.445 548 S CA -0.985 56.959 58.200 -0.427 0.000 1.260 548 S CB 0.659 63.236 63.200 -1.037 0.000 1.401 548 S HN 0.150 nan 8.310 nan 0.000 0.379 549 P HA -0.016 nan 4.420 nan 0.000 0.225 549 P C 0.862 178.077 177.300 -0.143 0.000 1.148 549 P CA 1.041 64.069 63.100 -0.120 0.000 0.779 549 P CB 0.074 31.730 31.700 -0.074 0.000 0.780 550 E N -1.295 118.778 120.200 -0.212 0.000 2.285 550 E HA -0.058 4.295 4.350 0.004 0.000 0.194 550 E C 1.640 178.105 176.600 -0.226 0.000 0.997 550 E CA 0.377 56.568 56.400 -0.348 0.000 0.845 550 E CB -0.664 28.456 29.700 -0.967 0.000 0.782 550 E HN 0.104 nan 8.360 nan 0.000 0.491 551 L N 0.965 122.024 121.223 -0.273 0.000 2.095 551 L HA -0.087 4.256 4.340 0.004 0.000 0.204 551 L C 1.429 178.297 176.870 -0.003 0.000 1.080 551 L CA 1.645 56.427 54.840 -0.098 0.000 0.759 551 L CB -0.350 41.527 42.059 -0.303 0.000 0.914 551 L HN 0.056 nan 8.230 nan 0.000 0.439 552 D N -0.225 120.134 120.400 -0.068 0.000 2.133 552 D HA -0.245 4.397 4.640 0.004 0.000 0.192 552 D C 2.023 178.348 176.300 0.042 0.000 1.001 552 D CA 1.753 55.742 54.000 -0.019 0.000 0.844 552 D CB 0.096 40.867 40.800 -0.048 0.000 0.944 552 D HN 0.430 nan 8.370 nan 0.000 0.447 553 A N 0.357 123.203 122.820 0.043 0.000 1.968 553 A HA -0.093 4.230 4.320 0.004 0.000 0.217 553 A C 2.159 179.858 177.584 0.191 0.000 1.169 553 A CA 0.738 52.822 52.037 0.079 0.000 0.638 553 A CB -0.388 18.616 19.000 0.005 0.000 0.812 553 A HN 0.224 nan 8.150 nan 0.000 0.446 554 L N -0.255 121.122 121.223 0.257 0.000 2.127 554 L HA 0.080 4.423 4.340 0.004 0.000 0.203 554 L C 2.158 179.279 176.870 0.417 0.000 1.080 554 L CA 1.349 56.377 54.840 0.314 0.000 0.768 554 L CB -0.337 41.973 42.059 0.418 0.000 0.924 554 L HN 0.392 nan 8.230 nan 0.000 0.444 555 I N 0.085 120.870 120.570 0.359 0.000 2.163 555 I HA -0.322 3.851 4.170 0.004 0.000 0.243 555 I C 2.595 178.935 176.117 0.371 0.000 1.085 555 I CA 1.341 62.851 61.300 0.350 0.000 1.347 555 I CB -0.804 37.272 38.000 0.126 0.000 1.044 555 I HN 0.351 nan 8.210 nan 0.000 0.408 556 A N 0.171 123.125 122.820 0.222 0.000 1.972 556 A HA 0.052 4.375 4.320 0.004 0.000 0.219 556 A C 1.984 179.653 177.584 0.142 0.000 1.169 556 A CA 1.666 53.797 52.037 0.157 0.000 0.635 556 A CB -0.688 18.370 19.000 0.096 0.000 0.810 556 A HN 0.664 nan 8.150 nan 0.000 0.446 557 G N -2.610 106.259 108.800 0.115 0.000 2.173 557 G HA2 -0.143 3.820 3.960 0.004 0.000 0.142 557 G HA3 -0.143 3.820 3.960 0.004 0.000 0.142 557 G C 0.072 174.931 174.900 -0.068 0.000 1.019 557 G CA 0.285 45.346 45.100 -0.065 0.000 0.699 557 G HN 0.969 nan 8.290 nan 0.000 0.495 558 H N 1.926 120.960 119.070 -0.060 0.000 3.016 558 H HA 0.390 4.949 4.556 0.005 0.000 0.345 558 H C -1.902 173.373 175.328 -0.089 0.000 1.066 558 H CA 0.336 56.358 56.048 -0.043 0.000 1.390 558 H CB 0.474 30.250 29.762 0.022 0.000 1.344 558 H HN 0.173 nan 8.280 nan 0.000 0.605 559 P HA -0.077 nan 4.420 nan 0.000 0.266 559 P C -0.843 176.241 177.300 -0.360 0.000 1.186 559 P CA 0.214 63.020 63.100 -0.491 0.000 0.767 559 P CB 0.468 31.872 31.700 -0.494 0.000 0.820 560 V N 2.312 122.121 119.914 -0.175 0.000 2.472 560 V HA 0.490 4.613 4.120 0.004 0.000 0.290 560 V C 0.588 176.638 176.094 -0.073 0.000 1.037 560 V CA -0.888 61.349 62.300 -0.104 0.000 0.908 560 V CB 1.137 32.896 31.823 -0.107 0.000 0.985 560 V HN 0.657 nan 8.190 nan 0.000 0.454 561 A N 3.299 126.105 122.820 -0.024 0.000 2.477 561 A HA 0.411 4.734 4.320 0.004 0.000 0.246 561 A C 0.036 177.698 177.584 0.131 0.000 1.078 561 A CA 0.011 52.093 52.037 0.076 0.000 0.770 561 A CB 0.091 19.131 19.000 0.067 0.000 1.011 561 A HN 1.080 nan 8.150 nan 0.000 0.494 562 C N 3.884 123.250 119.300 0.110 0.000 2.432 562 C HA 0.564 5.027 4.460 0.004 0.000 0.334 562 C C 0.104 174.818 174.990 -0.459 0.000 1.155 562 C CA -0.905 58.085 59.018 -0.048 0.000 1.335 562 C CB -0.015 27.685 27.740 -0.066 0.000 1.964 562 C HN 1.022 nan 8.230 nan 0.000 0.444 563 K N 3.875 123.591 120.400 -1.140 0.000 2.436 563 K HA 0.342 4.665 4.320 0.004 0.000 0.275 563 K C 0.469 176.576 176.600 -0.822 0.000 0.999 563 K CA 0.511 55.928 56.287 -1.451 0.000 0.980 563 K CB 0.659 32.035 32.500 -1.875 0.000 0.919 563 K HN 0.851 nan 8.250 nan 0.000 0.484 564 T N 0.835 115.026 114.554 -0.605 0.000 2.867 564 T HA 0.314 4.667 4.350 0.004 0.000 0.282 564 T C 0.355 174.860 174.700 -0.325 0.000 1.000 564 T CA -0.953 60.913 62.100 -0.390 0.000 1.042 564 T CB 1.223 69.891 68.868 -0.333 0.000 0.973 564 T HN 0.606 nan 8.240 nan 0.000 0.465 565 N N 0.752 119.278 118.700 -0.291 0.000 2.210 565 N HA 0.120 4.862 4.740 0.004 0.000 0.203 565 N C 0.841 176.160 175.510 -0.319 0.000 1.175 565 N CA -0.004 52.841 53.050 -0.341 0.000 0.894 565 N CB 0.722 38.914 38.487 -0.493 0.000 1.041 565 N HN 0.508 nan 8.380 nan 0.000 0.506 566 L N 0.922 122.023 121.223 -0.203 0.000 2.515 566 L HA 0.300 4.642 4.340 0.004 0.000 0.202 566 L C 2.043 178.908 176.870 -0.008 0.000 1.056 566 L CA 1.154 55.941 54.840 -0.088 0.000 0.847 566 L CB -0.206 41.857 42.059 0.007 0.000 1.131 566 L HN -0.240 nan 8.230 nan 0.000 0.484 567 K N -0.551 119.813 120.400 -0.061 0.000 2.063 567 K HA -0.179 4.143 4.320 0.004 0.000 0.208 567 K C 2.031 178.604 176.600 -0.045 0.000 1.048 567 K CA 1.895 58.148 56.287 -0.058 0.000 0.928 567 K CB -0.273 32.011 32.500 -0.361 0.000 0.713 567 K HN 0.266 nan 8.250 nan 0.000 0.442 568 V N 1.657 121.510 119.914 -0.103 0.000 2.392 568 V HA -0.224 3.898 4.120 0.004 0.000 0.249 568 V C 2.159 178.228 176.094 -0.043 0.000 1.059 568 V CA 1.611 63.863 62.300 -0.080 0.000 1.051 568 V CB -0.375 31.380 31.823 -0.113 0.000 0.658 568 V HN 0.355 nan 8.190 nan 0.000 0.455 569 R N -0.452 120.021 120.500 -0.046 0.000 2.189 569 R HA 0.008 4.350 4.340 0.004 0.000 0.223 569 R C 1.940 178.241 176.300 0.001 0.000 1.092 569 R CA 1.237 57.322 56.100 -0.026 0.000 0.989 569 R CB -0.594 29.682 30.300 -0.040 0.000 0.876 569 R HN 0.489 nan 8.270 nan 0.000 0.457 570 L N -0.467 120.769 121.223 0.022 0.000 2.357 570 L HA 0.223 4.566 4.340 0.004 0.000 0.211 570 L C 1.331 178.223 176.870 0.038 0.000 1.075 570 L CA 0.134 54.996 54.840 0.038 0.000 0.830 570 L CB -0.238 41.867 42.059 0.077 0.000 0.996 570 L HN -0.036 nan 8.230 nan 0.000 0.467 579 S N -0.794 114.883 115.700 -0.039 0.000 2.399 579 S HA 0.107 4.580 4.470 0.004 0.000 0.231 579 S C 0.523 174.974 174.600 -0.248 0.000 1.022 579 S CA 1.086 59.227 58.200 -0.098 0.000 0.983 579 S CB -0.398 62.818 63.200 0.027 0.000 0.803 579 S HN 0.515 nan 8.310 nan 0.000 0.480 580 Y N 0.524 120.738 120.300 -0.144 0.000 2.499 580 Y HA 0.640 5.193 4.550 0.005 0.000 0.347 580 Y C -0.007 175.804 175.900 -0.149 0.000 0.987 580 Y CA -1.130 56.875 58.100 -0.159 0.000 1.044 580 Y CB 2.192 40.577 38.460 -0.124 0.000 1.245 580 Y HN 0.098 nan 8.280 nan 0.000 0.461 581 V N -0.354 119.549 119.914 -0.018 0.000 3.156 581 V HA 0.760 4.883 4.120 0.004 0.000 0.311 581 V C -0.983 175.098 176.094 -0.022 0.000 1.208 581 V CA -1.364 60.905 62.300 -0.052 0.000 1.063 581 V CB 2.352 34.093 31.823 -0.136 0.000 1.098 581 V HN 0.628 nan 8.190 nan 0.000 0.452 582 R N 0.858 121.327 120.500 -0.053 0.000 2.561 582 R HA 0.755 5.098 4.340 0.004 0.000 0.297 582 R C -1.524 174.732 176.300 -0.073 0.000 0.969 582 R CA -0.529 55.531 56.100 -0.066 0.000 0.879 582 R CB 1.924 32.170 30.300 -0.090 0.000 1.178 582 R HN 0.765 nan 8.270 nan 0.000 0.445 583 L N 3.548 124.737 121.223 -0.058 0.000 2.365 583 L HA 0.491 4.834 4.340 0.004 0.000 0.273 583 L C -2.266 174.594 176.870 -0.017 0.000 1.000 583 L CA -2.426 52.413 54.840 -0.001 0.000 0.819 583 L CB 2.333 44.450 42.059 0.097 0.000 1.284 583 L HN 0.191 nan 8.230 nan 0.000 0.418 584 P HA 0.006 nan 4.420 nan 0.000 0.267 584 P C -0.396 176.731 177.300 -0.289 0.000 1.200 584 P CA 0.093 63.089 63.100 -0.175 0.000 0.772 584 P CB 0.556 32.157 31.700 -0.166 0.000 0.855 585 S N 4.121 119.552 115.700 -0.449 0.000 2.558 585 S HA 0.084 4.557 4.470 0.004 0.000 0.288 585 S C -1.249 172.759 174.600 -0.986 0.000 1.318 585 S CA -0.474 57.209 58.200 -0.861 0.000 1.056 585 S CB -0.145 62.443 63.200 -1.020 0.000 0.853 585 S HN 0.425 nan 8.310 nan 0.000 0.505 586 P HA 0.151 nan 4.420 nan 0.000 0.253 586 P C -0.527 176.481 177.300 -0.487 0.000 1.260 586 P CA 0.263 62.726 63.100 -1.062 0.000 0.800 586 P CB -0.154 30.482 31.700 -1.773 0.000 1.162 587 W N 0.000 121.087 121.300 -0.356 0.000 2.388 587 W HA 0.000 4.663 4.660 0.004 0.000 0.303 587 W CA 0.000 57.242 57.345 -0.172 0.000 1.226 587 W CB 0.000 29.402 29.460 -0.097 0.000 1.126 587 W HN 0.000 nan 8.180 nan 0.000 0.535