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 1ntk_1_C DATA FIRST_RESID 2 DATA SEQUENCE TNIRKSHPLM KIVNNAFIDL PAPSNISSWW NFGSLLGICL ILQILTGLFL DATA SEQUENCE AMHYTSDTTT AFSSVTHICR DVNYGWIIRY MHANGASMFF ICLYMHVGRG DATA SEQUENCE LYYGSYTFLE TWNIGVILLL TVMATAFMGY VLPWGQMSFW GATVITNLLS DATA SEQUENCE AIPYIGTNLV EWIWGGFSVD KATLTRFFAF HFILPFIIMA IAMVHLLFLH DATA SEQUENCE ETGSNNPTGI SSDVDKIPFH PYYTIKDILG ALLLILALML LVLFAPDLLG DATA SEQUENCE DPDNYTPANP LNTPPHIKPE WYFLFAYAIL RSIPNKLGGV LALAFSILIL DATA SEQUENCE ALIPLLHTSK QRSMMFRPLS QCLFWALVAD LLTLTWIGGQ PVEHPYITIG DATA SEQUENCE QLASVLYFLL ILVLMPTAGT IENKLLKW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.698 174.700 -0.003 0.000 1.109 2 T CA 0.000 62.099 62.100 -0.002 0.000 1.349 2 T CB 0.000 68.868 68.868 0.000 0.000 0.612 3 N N 4.930 123.628 118.700 -0.003 0.000 2.402 3 N HA 0.129 4.869 4.740 -0.000 0.000 0.259 3 N C 1.856 177.363 175.510 -0.004 0.000 1.167 3 N CA -0.706 52.341 53.050 -0.005 0.000 0.949 3 N CB -0.040 38.444 38.487 -0.004 0.000 1.212 3 N HN 0.595 nan 8.380 nan 0.000 0.493 4 I N 1.640 122.204 120.570 -0.009 0.000 2.623 4 I HA -0.192 3.978 4.170 -0.000 0.000 0.261 4 I C 2.031 178.152 176.117 0.007 0.000 1.204 4 I CA 0.709 62.006 61.300 -0.005 0.000 1.444 4 I CB -0.705 37.271 38.000 -0.040 0.000 1.094 4 I HN 0.556 nan 8.210 nan 0.000 0.451 5 R N 2.029 122.523 120.500 -0.010 0.000 2.285 5 R HA -0.089 4.251 4.340 -0.000 0.000 0.213 5 R C 1.638 177.934 176.300 -0.007 0.000 1.068 5 R CA 0.837 56.928 56.100 -0.015 0.000 1.004 5 R CB 0.200 30.481 30.300 -0.032 0.000 0.873 5 R HN 0.505 nan 8.270 nan 0.000 0.467 6 K N -1.549 118.853 120.400 0.003 0.000 2.387 6 K HA 0.086 4.406 4.320 -0.000 0.000 0.197 6 K C 1.599 178.203 176.600 0.006 0.000 1.127 6 K CA 0.753 57.039 56.287 -0.002 0.000 0.950 6 K CB 0.608 33.106 32.500 -0.004 0.000 1.017 6 K HN 0.065 nan 8.250 nan 0.000 0.519 7 S N -0.032 115.683 115.700 0.025 0.000 2.517 7 S HA 0.009 4.479 4.470 -0.000 0.000 0.214 7 S C 0.473 175.103 174.600 0.050 0.000 0.991 7 S CA -0.115 58.100 58.200 0.025 0.000 0.906 7 S CB -0.384 62.829 63.200 0.022 0.000 0.789 7 S HN 0.264 nan 8.310 nan 0.000 0.513 8 H N 3.855 122.906 119.070 -0.032 0.000 2.819 8 H HA 0.338 4.894 4.556 -0.000 0.000 0.303 8 H C -2.004 173.302 175.328 -0.036 0.000 1.058 8 H CA -1.706 54.323 56.048 -0.032 0.000 1.471 8 H CB 0.793 30.535 29.762 -0.032 0.000 1.480 8 H HN -0.093 nan 8.280 nan 0.000 0.517 9 P HA -0.259 nan 4.420 nan 0.000 0.218 9 P C 1.448 178.548 177.300 -0.332 0.000 1.152 9 P CA 1.332 64.223 63.100 -0.350 0.000 0.857 9 P CB 0.273 31.774 31.700 -0.332 0.000 0.787 10 L N -2.255 118.656 121.223 -0.519 0.000 2.034 10 L HA -0.100 4.240 4.340 -0.000 0.000 0.203 10 L C 2.404 179.245 176.870 -0.047 0.000 1.074 10 L CA 1.354 56.081 54.840 -0.189 0.000 0.748 10 L CB -0.669 41.361 42.059 -0.049 0.000 0.905 10 L HN -0.013 nan 8.230 nan 0.000 0.439 11 M N -0.149 119.504 119.600 0.088 0.000 2.106 11 M HA -0.260 4.220 4.480 -0.000 0.000 0.259 11 M C 2.080 178.347 176.300 -0.055 0.000 1.068 11 M CA 1.626 56.947 55.300 0.034 0.000 1.100 11 M CB -1.158 31.490 32.600 0.080 0.000 1.351 11 M HN 0.178 nan 8.290 nan 0.000 0.404 12 K N 0.406 120.775 120.400 -0.051 0.000 2.023 12 K HA -0.244 4.076 4.320 -0.000 0.000 0.227 12 K C 1.895 178.438 176.600 -0.095 0.000 1.054 12 K CA 1.965 58.210 56.287 -0.069 0.000 0.977 12 K CB -0.562 31.894 32.500 -0.074 0.000 0.733 12 K HN 0.271 nan 8.250 nan 0.000 0.451 13 I N 0.870 121.380 120.570 -0.101 0.000 2.113 13 I HA -0.280 3.890 4.170 -0.000 0.000 0.242 13 I C 2.487 178.510 176.117 -0.157 0.000 1.064 13 I CA 1.583 62.816 61.300 -0.113 0.000 1.320 13 I CB -1.381 36.561 38.000 -0.096 0.000 1.028 13 I HN 0.021 nan 8.210 nan 0.000 0.406 14 V N 1.359 121.161 119.914 -0.188 0.000 2.490 14 V HA -0.252 3.868 4.120 -0.000 0.000 0.250 14 V C 2.343 178.110 176.094 -0.544 0.000 1.061 14 V CA 2.068 64.135 62.300 -0.389 0.000 1.064 14 V CB -1.009 30.636 31.823 -0.297 0.000 0.670 14 V HN 0.425 nan 8.190 nan 0.000 0.461 15 N N 0.896 119.417 118.700 -0.297 0.000 2.142 15 N HA -0.133 4.607 4.740 -0.000 0.000 0.186 15 N C 1.559 176.964 175.510 -0.175 0.000 1.023 15 N CA 1.436 54.351 53.050 -0.225 0.000 0.852 15 N CB -0.278 38.140 38.487 -0.116 0.000 0.998 15 N HN 0.427 nan 8.380 nan 0.000 0.424 16 N N 0.036 118.661 118.700 -0.124 0.000 2.331 16 N HA 0.009 4.749 4.740 -0.000 0.000 0.180 16 N C 1.324 176.863 175.510 0.049 0.000 1.019 16 N CA 0.978 54.017 53.050 -0.018 0.000 0.881 16 N CB -0.363 38.127 38.487 0.005 0.000 0.972 16 N HN 0.329 nan 8.380 nan 0.000 0.435 17 A N 0.378 123.143 122.820 -0.092 0.000 1.855 17 A HA 0.060 4.380 4.320 -0.000 0.000 0.213 17 A C 0.809 178.332 177.584 -0.102 0.000 1.195 17 A CA 1.036 53.093 52.037 0.034 0.000 0.610 17 A CB -0.335 18.697 19.000 0.052 0.000 0.837 17 A HN 0.364 nan 8.150 nan 0.000 0.444 18 F N -3.334 116.460 119.950 -0.260 0.000 2.697 18 F HA 0.561 5.088 4.527 -0.000 0.000 0.367 18 F C 0.182 175.971 175.800 -0.018 0.000 1.300 18 F CA -0.650 57.041 58.000 -0.516 0.000 1.121 18 F CB -0.119 38.576 39.000 -0.509 0.000 1.188 18 F HN 0.040 nan 8.300 nan 0.000 0.511 19 I N -0.757 119.779 120.570 -0.056 0.000 3.878 19 I HA 0.200 4.370 4.170 -0.000 0.000 0.273 19 I C 0.836 177.050 176.117 0.161 0.000 1.165 19 I CA 0.188 61.534 61.300 0.077 0.000 1.360 19 I CB 0.327 38.251 38.000 -0.126 0.000 1.539 19 I HN -0.043 nan 8.210 nan 0.000 0.447 20 D N 0.843 121.291 120.400 0.080 0.000 2.449 20 D HA 0.184 4.824 4.640 -0.000 0.000 0.210 20 D C 0.544 176.912 176.300 0.113 0.000 1.094 20 D CA -0.100 53.957 54.000 0.095 0.000 0.846 20 D CB 0.621 41.444 40.800 0.039 0.000 1.003 20 D HN -0.030 nan 8.370 nan 0.000 0.504 21 L N 2.707 123.996 121.223 0.110 0.000 2.640 21 L HA 0.129 4.469 4.340 -0.000 0.000 0.280 21 L C -2.508 174.468 176.870 0.176 0.000 1.229 21 L CA -0.463 54.438 54.840 0.101 0.000 0.919 21 L CB 0.187 42.274 42.059 0.047 0.000 1.168 21 L HN -0.221 nan 8.230 nan 0.000 0.496 22 P HA 0.415 nan 4.420 nan 0.000 0.282 22 P C -1.297 176.076 177.300 0.122 0.000 1.262 22 P CA -0.267 62.905 63.100 0.119 0.000 0.773 22 P CB 1.404 33.143 31.700 0.065 0.000 0.879 23 A N 5.021 127.942 122.820 0.169 0.000 2.423 23 A HA 0.792 5.112 4.320 -0.000 0.000 0.304 23 A C -2.830 174.811 177.584 0.094 0.000 1.104 23 A CA -2.322 49.792 52.037 0.127 0.000 0.757 23 A CB 0.676 19.784 19.000 0.180 0.000 1.313 23 A HN 0.271 nan 8.150 nan 0.000 0.423 24 P HA 0.077 nan 4.420 nan 0.000 0.267 24 P C 0.806 178.115 177.300 0.015 0.000 1.205 24 P CA 0.316 63.384 63.100 -0.055 0.000 0.765 24 P CB 0.871 32.460 31.700 -0.185 0.000 0.828 25 S N 1.402 117.082 115.700 -0.035 0.000 2.595 25 S HA -0.099 4.371 4.470 -0.000 0.000 0.235 25 S C 1.328 175.882 174.600 -0.077 0.000 0.974 25 S CA 0.852 58.993 58.200 -0.098 0.000 0.942 25 S CB -0.818 62.299 63.200 -0.139 0.000 0.766 25 S HN 0.355 nan 8.310 nan 0.000 0.536 26 N N 1.318 119.972 118.700 -0.076 0.000 2.322 26 N HA 0.253 4.993 4.740 -0.000 0.000 0.181 26 N C 0.451 175.826 175.510 -0.225 0.000 1.088 26 N CA -0.174 52.798 53.050 -0.129 0.000 0.885 26 N CB -0.032 38.366 38.487 -0.148 0.000 1.013 26 N HN 0.714 nan 8.380 nan 0.000 0.472 27 I N -0.063 120.302 120.570 -0.341 0.000 2.779 27 I HA 0.254 4.424 4.170 -0.000 0.000 0.285 27 I C 0.499 176.493 176.117 -0.205 0.000 1.134 27 I CA -0.565 60.356 61.300 -0.631 0.000 1.398 27 I CB 0.959 38.243 38.000 -1.194 0.000 1.404 27 I HN -0.008 nan 8.210 nan 0.000 0.587 28 S N 2.204 117.872 115.700 -0.053 0.000 2.806 28 S HA 0.361 4.831 4.470 -0.000 0.000 0.315 28 S C 0.792 175.580 174.600 0.314 0.000 1.127 28 S CA -0.382 57.924 58.200 0.177 0.000 0.918 28 S CB 1.327 64.680 63.200 0.256 0.000 1.240 28 S HN 0.673 nan 8.310 nan 0.000 0.552 29 S N -0.126 115.664 115.700 0.151 0.000 2.423 29 S HA -0.145 4.325 4.470 -0.000 0.000 0.238 29 S C 0.934 175.546 174.600 0.019 0.000 1.028 29 S CA 1.796 59.982 58.200 -0.023 0.000 1.000 29 S CB -0.672 62.404 63.200 -0.208 0.000 0.797 29 S HN 0.744 nan 8.310 nan 0.000 0.487 30 W N 0.138 121.695 121.300 0.427 0.000 2.848 30 W HA 0.064 4.724 4.660 -0.000 0.000 0.241 30 W C 1.487 178.154 176.519 0.247 0.000 1.289 30 W CA -0.396 57.200 57.345 0.418 0.000 1.396 30 W CB -0.276 29.314 29.460 0.217 0.000 1.138 30 W HN 0.383 nan 8.180 nan 0.000 0.677 31 W N -0.367 121.091 121.300 0.262 0.000 3.278 31 W HA 0.053 4.713 4.660 -0.000 0.000 0.308 31 W C 0.877 177.461 176.519 0.109 0.000 1.253 31 W CA 0.019 57.472 57.345 0.180 0.000 1.759 31 W CB -0.419 29.056 29.460 0.025 0.000 1.093 31 W HN -0.055 nan 8.180 nan 0.000 0.648 32 N N 0.552 119.303 118.700 0.085 0.000 2.270 32 N HA -0.117 4.623 4.740 -0.000 0.000 0.181 32 N C 1.171 176.569 175.510 -0.187 0.000 1.016 32 N CA 1.191 54.155 53.050 -0.143 0.000 0.870 32 N CB -0.688 37.572 38.487 -0.379 0.000 0.979 32 N HN -0.060 nan 8.380 nan 0.000 0.431 33 F N 0.058 120.095 119.950 0.145 0.000 2.529 33 F HA 0.032 4.559 4.527 -0.000 0.000 0.297 33 F C 2.250 178.054 175.800 0.006 0.000 1.114 33 F CA 0.542 58.604 58.000 0.103 0.000 1.467 33 F CB -0.753 38.361 39.000 0.189 0.000 1.096 33 F HN 0.075 nan 8.300 nan 0.000 0.586 34 G N -0.695 108.240 108.800 0.225 0.000 2.396 34 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.214 34 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.214 34 G C 1.797 176.709 174.900 0.019 0.000 1.166 34 G CA 0.775 45.941 45.100 0.110 0.000 0.793 34 G HN 0.340 nan 8.290 nan 0.000 0.533 35 S N 0.801 116.526 115.700 0.042 0.000 2.371 35 S HA 0.005 4.475 4.470 -0.000 0.000 0.224 35 S C 2.317 176.874 174.600 -0.072 0.000 1.029 35 S CA 0.750 58.947 58.200 -0.004 0.000 0.978 35 S CB -0.275 62.937 63.200 0.019 0.000 0.833 35 S HN 0.301 nan 8.310 nan 0.000 0.466 36 L N 1.166 122.337 121.223 -0.087 0.000 2.042 36 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 36 L C 2.293 179.039 176.870 -0.206 0.000 1.076 36 L CA 1.134 55.907 54.840 -0.113 0.000 0.749 36 L CB -0.782 41.231 42.059 -0.077 0.000 0.893 36 L HN 0.260 nan 8.230 nan 0.000 0.432 37 L N -0.236 120.824 121.223 -0.272 0.000 2.083 37 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 37 L C 2.694 179.297 176.870 -0.444 0.000 1.083 37 L CA 1.302 55.817 54.840 -0.541 0.000 0.752 37 L CB -1.068 40.667 42.059 -0.540 0.000 0.899 37 L HN 0.324 nan 8.230 nan 0.000 0.433 38 G N 0.313 108.976 108.800 -0.230 0.000 2.453 38 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.215 38 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.215 38 G C 1.562 176.391 174.900 -0.118 0.000 1.201 38 G CA 0.659 45.679 45.100 -0.132 0.000 0.784 38 G HN 0.230 nan 8.290 nan 0.000 0.545 39 I N 0.407 120.908 120.570 -0.115 0.000 2.151 39 I HA -0.284 3.886 4.170 -0.000 0.000 0.243 39 I C 2.964 179.032 176.117 -0.082 0.000 1.080 39 I CA 1.042 62.293 61.300 -0.082 0.000 1.339 39 I CB -0.576 37.380 38.000 -0.074 0.000 1.039 39 I HN 0.219 nan 8.210 nan 0.000 0.409 40 C N 0.277 119.472 119.300 -0.175 0.000 2.388 40 C HA -0.213 4.247 4.460 -0.000 0.000 0.277 40 C C 2.766 177.766 174.990 0.017 0.000 1.210 40 C CA 0.787 59.706 59.018 -0.165 0.000 1.743 40 C CB -1.077 26.320 27.740 -0.572 0.000 2.047 40 C HN 0.493 nan 8.230 nan 0.000 0.458 41 L N 1.858 123.070 121.223 -0.019 0.000 2.021 41 L HA -0.164 4.176 4.340 -0.000 0.000 0.215 41 L C 2.263 179.204 176.870 0.118 0.000 1.074 41 L CA 2.328 57.306 54.840 0.230 0.000 0.760 41 L CB -1.032 41.122 42.059 0.157 0.000 0.889 41 L HN 0.579 nan 8.230 nan 0.000 0.433 42 I N -3.108 117.497 120.570 0.059 0.000 2.202 42 I HA -0.209 3.961 4.170 -0.000 0.000 0.242 42 I C 2.459 178.619 176.117 0.072 0.000 1.091 42 I CA 1.766 63.105 61.300 0.065 0.000 1.368 42 I CB -0.694 37.335 38.000 0.048 0.000 1.058 42 I HN 0.314 nan 8.210 nan 0.000 0.410 43 L N 0.668 121.925 121.223 0.057 0.000 2.127 43 L HA -0.242 4.098 4.340 -0.000 0.000 0.211 43 L C 2.630 179.566 176.870 0.110 0.000 1.089 43 L CA 1.691 56.569 54.840 0.062 0.000 0.757 43 L CB -0.427 41.657 42.059 0.042 0.000 0.899 43 L HN 0.341 nan 8.230 nan 0.000 0.434 44 Q N 0.292 120.170 119.800 0.131 0.000 2.046 44 Q HA -0.169 4.171 4.340 -0.000 0.000 0.200 44 Q C 2.069 178.171 176.000 0.170 0.000 0.975 44 Q CA 2.188 58.090 55.803 0.164 0.000 0.836 44 Q CB -0.351 28.461 28.738 0.123 0.000 0.896 44 Q HN 0.664 nan 8.270 nan 0.000 0.428 45 I N -0.293 120.326 120.570 0.082 0.000 2.286 45 I HA -0.268 3.902 4.170 -0.000 0.000 0.248 45 I C 2.093 178.262 176.117 0.087 0.000 1.115 45 I CA 0.767 62.086 61.300 0.031 0.000 1.392 45 I CB -0.071 37.968 38.000 0.064 0.000 1.065 45 I HN 0.262 nan 8.210 nan 0.000 0.418 46 L N -0.225 121.069 121.223 0.118 0.000 2.023 46 L HA -0.208 4.132 4.340 -0.000 0.000 0.205 46 L C 2.744 179.714 176.870 0.166 0.000 1.073 46 L CA 2.070 57.001 54.840 0.150 0.000 0.745 46 L CB -0.466 41.651 42.059 0.096 0.000 0.900 46 L HN 0.401 nan 8.230 nan 0.000 0.435 47 T N -3.529 111.086 114.554 0.101 0.000 2.770 47 T HA -0.075 4.275 4.350 -0.000 0.000 0.263 47 T C 1.969 176.627 174.700 -0.070 0.000 1.039 47 T CA 0.741 62.874 62.100 0.055 0.000 1.142 47 T CB -1.465 67.463 68.868 0.101 0.000 0.868 47 T HN 0.405 nan 8.240 nan 0.000 0.435 48 G N 1.982 110.649 108.800 -0.223 0.000 2.547 48 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.221 48 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.221 48 G C 1.477 176.201 174.900 -0.293 0.000 1.140 48 G CA 1.323 46.075 45.100 -0.581 0.000 0.760 48 G HN 0.503 nan 8.290 nan 0.000 0.583 49 L N -0.705 120.456 121.223 -0.104 0.000 2.056 49 L HA 0.164 4.504 4.340 -0.000 0.000 0.207 49 L C 2.511 179.368 176.870 -0.023 0.000 1.078 49 L CA 1.560 56.359 54.840 -0.069 0.000 0.749 49 L CB -0.544 41.546 42.059 0.052 0.000 0.901 49 L HN 0.175 nan 8.230 nan 0.000 0.433 50 F N -0.656 119.258 119.950 -0.059 0.000 2.293 50 F HA -0.137 4.390 4.527 -0.000 0.000 0.300 50 F C 2.162 177.986 175.800 0.041 0.000 1.086 50 F CA 1.158 59.155 58.000 -0.004 0.000 1.375 50 F CB -0.522 38.488 39.000 0.017 0.000 1.045 50 F HN 0.044 nan 8.300 nan 0.000 0.516 51 L N -0.923 120.369 121.223 0.116 0.000 2.156 51 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 51 L C 2.598 179.531 176.870 0.105 0.000 1.095 51 L CA 0.957 55.846 54.840 0.081 0.000 0.770 51 L CB -0.961 41.034 42.059 -0.107 0.000 0.914 51 L HN 0.088 nan 8.230 nan 0.000 0.439 52 A N -0.043 122.805 122.820 0.047 0.000 2.121 52 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 52 A C 2.097 179.739 177.584 0.096 0.000 1.154 52 A CA 1.079 53.213 52.037 0.162 0.000 0.679 52 A CB -0.464 18.637 19.000 0.167 0.000 0.795 52 A HN 0.430 nan 8.150 nan 0.000 0.458 53 M N -1.228 118.321 119.600 -0.085 0.000 2.618 53 M HA 0.109 4.589 4.480 -0.000 0.000 0.240 53 M C 0.903 176.905 176.300 -0.496 0.000 1.123 53 M CA 0.604 55.720 55.300 -0.307 0.000 1.060 53 M CB -0.044 32.254 32.600 -0.502 0.000 1.535 53 M HN 0.406 nan 8.290 nan 0.000 0.507 54 H N -2.689 116.434 119.070 0.089 0.000 3.678 54 H HA 0.185 4.741 4.556 -0.000 0.000 0.246 54 H C 0.136 175.517 175.328 0.087 0.000 1.016 54 H CA -0.298 55.815 56.048 0.109 0.000 1.104 54 H CB 0.188 30.042 29.762 0.153 0.000 1.449 54 H HN 0.299 nan 8.280 nan 0.000 0.606 55 Y N 2.786 123.114 120.300 0.046 0.000 2.245 55 Y HA 0.053 4.603 4.550 -0.000 0.000 0.355 55 Y C 1.465 177.256 175.900 -0.182 0.000 1.278 55 Y CA 1.522 59.565 58.100 -0.096 0.000 1.593 55 Y CB 0.790 39.134 38.460 -0.193 0.000 1.393 55 Y HN 0.175 nan 8.280 nan 0.000 0.662 56 T N -2.150 111.607 114.554 -1.328 0.000 2.639 56 T HA 0.481 4.831 4.350 -0.000 0.000 0.156 56 T C 0.308 174.329 174.700 -1.133 0.000 0.817 56 T CA 0.284 61.825 62.100 -0.931 0.000 0.914 56 T CB 0.618 69.076 68.868 -0.684 0.000 2.461 56 T HN 0.670 nan 8.240 nan 0.000 0.367 57 S N 0.377 115.473 115.700 -1.006 0.000 7.287 57 S HA 0.089 4.559 4.470 -0.000 0.000 0.061 57 S C -1.643 172.670 174.600 -0.478 0.000 1.539 57 S CA 0.721 58.562 58.200 -0.598 0.000 0.914 57 S CB -1.275 61.723 63.200 -0.336 0.000 0.894 57 S HN 1.254 nan 8.310 nan 0.000 0.538 58 D N 2.854 123.037 120.400 -0.362 0.000 7.547 58 D HA -0.121 4.519 4.640 -0.000 0.000 0.125 58 D C 1.159 177.235 176.300 -0.374 0.000 1.148 58 D CA 1.649 55.456 54.000 -0.321 0.000 0.811 58 D CB -0.596 40.052 40.800 -0.252 0.000 1.599 58 D HN 0.790 nan 8.370 nan 0.000 0.920 59 T N 0.607 114.881 114.554 -0.467 0.000 2.755 59 T HA -0.371 3.979 4.350 -0.000 0.000 0.266 59 T C 1.840 176.408 174.700 -0.221 0.000 1.041 59 T CA 2.885 64.645 62.100 -0.567 0.000 1.147 59 T CB -1.021 67.596 68.868 -0.418 0.000 0.847 59 T HN 0.657 nan 8.240 nan 0.000 0.478 60 T N 0.405 114.867 114.554 -0.153 0.000 2.737 60 T HA -0.119 4.231 4.350 -0.000 0.000 0.265 60 T C 2.231 176.896 174.700 -0.059 0.000 1.038 60 T CA 1.889 63.945 62.100 -0.073 0.000 1.144 60 T CB -1.245 67.576 68.868 -0.078 0.000 0.866 60 T HN 0.686 nan 8.240 nan 0.000 0.434 61 T N -1.128 113.355 114.554 -0.119 0.000 3.037 61 T HA 0.576 4.926 4.350 -0.000 0.000 0.251 61 T C 2.205 176.837 174.700 -0.113 0.000 1.079 61 T CA 0.615 62.648 62.100 -0.111 0.000 1.067 61 T CB -0.461 68.305 68.868 -0.170 0.000 0.948 61 T HN 0.502 nan 8.240 nan 0.000 0.496 62 A N 2.133 124.856 122.820 -0.162 0.000 1.870 62 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 62 A C 1.904 179.556 177.584 0.114 0.000 1.286 62 A CA 2.080 54.046 52.037 -0.118 0.000 0.682 62 A CB -1.597 17.348 19.000 -0.092 0.000 0.844 62 A HN 0.535 nan 8.150 nan 0.000 0.460 63 F N 1.445 121.456 119.950 0.101 0.000 2.120 63 F HA -0.245 4.282 4.527 -0.000 0.000 0.300 63 F C 2.707 178.544 175.800 0.062 0.000 1.095 63 F CA 2.199 60.265 58.000 0.110 0.000 1.249 63 F CB -0.143 38.931 39.000 0.123 0.000 0.995 63 F HN 0.280 nan 8.300 nan 0.000 0.480 64 S N -0.123 115.775 115.700 0.330 0.000 2.383 64 S HA -0.258 4.212 4.470 -0.000 0.000 0.229 64 S C 2.183 176.860 174.600 0.127 0.000 1.030 64 S CA 1.400 59.729 58.200 0.216 0.000 1.002 64 S CB -0.989 62.274 63.200 0.106 0.000 0.829 64 S HN 0.624 nan 8.310 nan 0.000 0.467 65 S N 2.004 117.734 115.700 0.051 0.000 2.355 65 S HA -0.059 4.411 4.470 -0.000 0.000 0.222 65 S C 1.936 176.615 174.600 0.131 0.000 1.031 65 S CA 1.088 59.321 58.200 0.055 0.000 0.993 65 S CB -1.001 62.148 63.200 -0.086 0.000 0.859 65 S HN 0.305 nan 8.310 nan 0.000 0.453 66 V N 3.329 123.287 119.914 0.072 0.000 2.252 66 V HA -0.226 3.894 4.120 -0.000 0.000 0.249 66 V C 3.148 179.220 176.094 -0.036 0.000 1.056 66 V CA 2.361 64.657 62.300 -0.007 0.000 1.022 66 V CB -1.918 29.815 31.823 -0.150 0.000 0.641 66 V HN 0.832 nan 8.190 nan 0.000 0.445 67 T N -1.714 112.816 114.554 -0.039 0.000 2.788 67 T HA -0.315 4.035 4.350 -0.000 0.000 0.268 67 T C 1.839 176.586 174.700 0.080 0.000 1.044 67 T CA 1.842 63.960 62.100 0.031 0.000 1.139 67 T CB -0.752 68.192 68.868 0.126 0.000 0.867 67 T HN 0.681 nan 8.240 nan 0.000 0.454 68 H N 1.905 120.990 119.070 0.025 0.000 2.289 68 H HA -0.089 4.467 4.556 -0.000 0.000 0.296 68 H C 2.174 177.500 175.328 -0.003 0.000 1.091 68 H CA 2.030 58.089 56.048 0.018 0.000 1.274 68 H CB -0.401 29.369 29.762 0.014 0.000 1.364 68 H HN 0.408 nan 8.280 nan 0.000 0.490 69 I N 0.435 120.955 120.570 -0.084 0.000 2.127 69 I HA -0.359 3.811 4.170 -0.000 0.000 0.241 69 I C 3.091 179.156 176.117 -0.088 0.000 1.075 69 I CA 1.406 62.611 61.300 -0.158 0.000 1.334 69 I CB -0.493 37.491 38.000 -0.027 0.000 1.040 69 I HN 0.354 nan 8.210 nan 0.000 0.405 70 C N 0.209 119.510 119.300 0.000 0.000 2.425 70 C HA -0.120 4.340 4.460 -0.000 0.000 0.277 70 C C 2.885 177.955 174.990 0.133 0.000 1.280 70 C CA 0.887 59.982 59.018 0.128 0.000 1.744 70 C CB -1.304 26.521 27.740 0.143 0.000 1.989 70 C HN 0.433 nan 8.230 nan 0.000 0.491 71 R N -0.049 120.471 120.500 0.033 0.000 2.103 71 R HA 0.020 4.360 4.340 -0.000 0.000 0.212 71 R C 1.641 177.913 176.300 -0.047 0.000 1.107 71 R CA 0.854 56.960 56.100 0.010 0.000 1.025 71 R CB -0.125 30.188 30.300 0.022 0.000 0.929 71 R HN 0.434 nan 8.270 nan 0.000 0.456 72 D N 0.209 120.515 120.400 -0.158 0.000 2.197 72 D HA -0.003 4.637 4.640 -0.000 0.000 0.212 72 D C 0.279 176.431 176.300 -0.247 0.000 0.963 72 D CA 0.585 54.454 54.000 -0.218 0.000 0.864 72 D CB 0.075 40.703 40.800 -0.286 0.000 1.009 72 D HN -0.132 nan 8.370 nan 0.000 0.479 73 V N 2.979 122.660 119.914 -0.388 0.000 2.458 73 V HA -0.081 4.039 4.120 -0.000 0.000 0.287 73 V C 0.108 176.121 176.094 -0.134 0.000 1.009 73 V CA -0.090 62.017 62.300 -0.321 0.000 1.091 73 V CB -0.722 30.794 31.823 -0.511 0.000 0.960 73 V HN 0.123 nan 8.190 nan 0.000 0.476 74 N N 5.587 124.250 118.700 -0.063 0.000 2.236 74 N HA -0.013 4.727 4.740 -0.000 0.000 0.274 74 N C 0.232 175.785 175.510 0.072 0.000 1.339 74 N CA 0.280 53.325 53.050 -0.008 0.000 0.845 74 N CB -0.330 38.221 38.487 0.107 0.000 1.091 74 N HN 0.776 nan 8.380 nan 0.000 0.489 75 Y N -0.895 119.379 120.300 -0.044 0.000 4.916 75 Y HA -0.314 4.236 4.550 -0.000 0.000 0.247 75 Y C 1.996 177.702 175.900 -0.324 0.000 0.962 75 Y CA 0.587 58.529 58.100 -0.264 0.000 1.933 75 Y CB -1.690 36.627 38.460 -0.240 0.000 1.451 75 Y HN 0.774 nan 8.280 nan 0.000 0.539 76 G N 0.986 109.762 108.800 -0.040 0.000 2.503 76 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.221 76 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.221 76 G C 1.334 176.233 174.900 -0.002 0.000 1.131 76 G CA 1.348 46.422 45.100 -0.043 0.000 0.756 76 G HN 0.796 nan 8.290 nan 0.000 0.572 77 W N 1.728 123.062 121.300 0.057 0.000 2.332 77 W HA -0.130 4.530 4.660 -0.000 0.000 0.321 77 W C 2.186 178.861 176.519 0.259 0.000 1.219 77 W CA 1.337 58.785 57.345 0.172 0.000 1.277 77 W CB -1.348 28.257 29.460 0.242 0.000 1.161 77 W HN 0.313 nan 8.180 nan 0.000 0.476 78 I N 0.714 120.917 120.570 -0.612 0.000 2.208 78 I HA -0.304 3.866 4.170 -0.000 0.000 0.245 78 I C 2.681 178.727 176.117 -0.119 0.000 1.097 78 I CA 1.727 62.779 61.300 -0.413 0.000 1.363 78 I CB -1.120 36.458 38.000 -0.704 0.000 1.051 78 I HN -0.051 nan 8.210 nan 0.000 0.413 79 I N 0.683 121.162 120.570 -0.150 0.000 2.179 79 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 79 I C 2.958 179.068 176.117 -0.012 0.000 1.088 79 I CA 1.198 62.453 61.300 -0.074 0.000 1.357 79 I CB -0.518 37.444 38.000 -0.063 0.000 1.051 79 I HN 0.253 nan 8.210 nan 0.000 0.409 80 R N 0.880 121.342 120.500 -0.064 0.000 2.083 80 R HA -0.210 4.130 4.340 -0.000 0.000 0.237 80 R C 2.244 178.444 176.300 -0.166 0.000 1.137 80 R CA 2.041 58.041 56.100 -0.167 0.000 0.951 80 R CB -0.608 29.475 30.300 -0.363 0.000 0.851 80 R HN 0.330 nan 8.270 nan 0.000 0.434 81 Y N -0.236 120.157 120.300 0.154 0.000 2.395 81 Y HA 0.023 4.573 4.550 -0.000 0.000 0.293 81 Y C 2.451 178.438 175.900 0.146 0.000 1.123 81 Y CA 0.928 59.131 58.100 0.171 0.000 1.227 81 Y CB -0.284 38.307 38.460 0.218 0.000 1.012 81 Y HN -0.019 nan 8.280 nan 0.000 0.552 82 M N -1.408 118.321 119.600 0.216 0.000 2.200 82 M HA -0.194 4.286 4.480 -0.000 0.000 0.265 82 M C 2.035 178.438 176.300 0.171 0.000 1.066 82 M CA 1.596 56.990 55.300 0.157 0.000 1.127 82 M CB -0.344 32.305 32.600 0.081 0.000 1.379 82 M HN 0.304 nan 8.290 nan 0.000 0.420 83 H N 0.364 119.474 119.070 0.066 0.000 2.270 83 H HA -0.052 4.504 4.556 -0.000 0.000 0.299 83 H C 1.955 177.348 175.328 0.109 0.000 1.077 83 H CA 2.392 58.480 56.048 0.066 0.000 1.294 83 H CB -0.162 29.617 29.762 0.028 0.000 1.371 83 H HN 0.302 nan 8.280 nan 0.000 0.491 84 A N 0.465 123.368 122.820 0.139 0.000 1.908 84 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 84 A C 2.256 179.951 177.584 0.185 0.000 1.181 84 A CA 1.915 54.032 52.037 0.134 0.000 0.627 84 A CB -0.442 18.668 19.000 0.183 0.000 0.818 84 A HN 0.544 nan 8.150 nan 0.000 0.445 85 N N -0.182 118.648 118.700 0.217 0.000 2.250 85 N HA -0.070 4.670 4.740 -0.000 0.000 0.181 85 N C 1.863 177.493 175.510 0.200 0.000 1.017 85 N CA 1.214 54.402 53.050 0.231 0.000 0.866 85 N CB -0.639 37.984 38.487 0.227 0.000 0.985 85 N HN 0.467 nan 8.380 nan 0.000 0.429 86 G N 0.744 109.632 108.800 0.146 0.000 2.450 86 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.220 86 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.220 86 G C 1.629 176.622 174.900 0.155 0.000 1.130 86 G CA 1.044 46.223 45.100 0.132 0.000 0.760 86 G HN 0.408 nan 8.290 nan 0.000 0.557 87 A N 0.516 123.395 122.820 0.097 0.000 1.933 87 A HA 0.044 4.364 4.320 -0.000 0.000 0.218 87 A C 2.686 180.380 177.584 0.185 0.000 1.175 87 A CA 2.201 54.292 52.037 0.090 0.000 0.628 87 A CB -0.501 18.518 19.000 0.032 0.000 0.814 87 A HN 0.311 nan 8.150 nan 0.000 0.444 88 S N -0.677 115.201 115.700 0.295 0.000 2.357 88 S HA -0.086 4.384 4.470 -0.000 0.000 0.221 88 S C 2.086 176.974 174.600 0.480 0.000 1.031 88 S CA 1.451 59.944 58.200 0.489 0.000 0.982 88 S CB -0.294 63.349 63.200 0.738 0.000 0.853 88 S HN 0.477 nan 8.310 nan 0.000 0.458 89 M N 0.420 120.231 119.600 0.352 0.000 2.106 89 M HA -0.086 4.394 4.480 -0.000 0.000 0.259 89 M C 1.866 178.298 176.300 0.221 0.000 1.068 89 M CA 1.339 56.803 55.300 0.275 0.000 1.100 89 M CB -1.458 31.257 32.600 0.192 0.000 1.351 89 M HN 0.312 nan 8.290 nan 0.000 0.404 90 F N 0.212 120.176 119.950 0.023 0.000 2.250 90 F HA -0.195 4.332 4.527 -0.000 0.000 0.301 90 F C 1.855 177.453 175.800 -0.338 0.000 1.077 90 F CA 1.188 59.099 58.000 -0.149 0.000 1.348 90 F CB -0.381 38.494 39.000 -0.209 0.000 1.040 90 F HN -0.047 nan 8.300 nan 0.000 0.509 91 F N -0.658 119.277 119.950 -0.025 0.000 2.219 91 F HA -0.007 4.520 4.527 -0.000 0.000 0.294 91 F C 2.287 177.955 175.800 -0.220 0.000 1.086 91 F CA 0.883 58.660 58.000 -0.371 0.000 1.330 91 F CB -0.658 37.870 39.000 -0.786 0.000 1.047 91 F HN -0.192 nan 8.300 nan 0.000 0.495 92 I N -0.687 120.100 120.570 0.362 0.000 2.151 92 I HA -0.403 3.767 4.170 -0.000 0.000 0.243 92 I C 2.311 178.555 176.117 0.212 0.000 1.080 92 I CA 1.271 62.823 61.300 0.419 0.000 1.339 92 I CB -0.487 37.753 38.000 0.399 0.000 1.039 92 I HN 0.239 nan 8.210 nan 0.000 0.409 93 C N -0.371 119.006 119.300 0.129 0.000 2.453 93 C HA -0.113 4.347 4.460 -0.000 0.000 0.277 93 C C 2.630 177.624 174.990 0.007 0.000 1.262 93 C CA 0.052 59.125 59.018 0.093 0.000 1.718 93 C CB -0.907 26.898 27.740 0.109 0.000 2.031 93 C HN 0.455 nan 8.230 nan 0.000 0.480 94 L N 0.188 121.353 121.223 -0.098 0.000 2.043 94 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 94 L C 2.340 179.266 176.870 0.094 0.000 1.075 94 L CA 2.051 56.824 54.840 -0.112 0.000 0.752 94 L CB -1.203 40.645 42.059 -0.351 0.000 0.891 94 L HN 0.327 nan 8.230 nan 0.000 0.432 95 Y N -1.763 118.589 120.300 0.087 0.000 2.133 95 Y HA -0.246 4.304 4.550 -0.000 0.000 0.287 95 Y C 2.616 178.540 175.900 0.040 0.000 1.134 95 Y CA 1.400 59.556 58.100 0.093 0.000 1.133 95 Y CB -0.969 37.600 38.460 0.182 0.000 0.987 95 Y HN 0.156 nan 8.280 nan 0.000 0.502 96 M N -0.798 118.884 119.600 0.135 0.000 2.106 96 M HA -0.236 4.244 4.480 -0.000 0.000 0.259 96 M C 2.109 178.399 176.300 -0.017 0.000 1.068 96 M CA 1.825 57.077 55.300 -0.081 0.000 1.100 96 M CB -0.685 31.480 32.600 -0.725 0.000 1.351 96 M HN 0.292 nan 8.290 nan 0.000 0.404 97 H N -1.031 118.002 119.070 -0.062 0.000 2.290 97 H HA -0.110 4.446 4.556 -0.000 0.000 0.298 97 H C 1.832 177.215 175.328 0.091 0.000 1.087 97 H CA 2.295 58.378 56.048 0.058 0.000 1.291 97 H CB -0.308 29.496 29.762 0.071 0.000 1.369 97 H HN 0.180 nan 8.280 nan 0.000 0.492 98 V N 0.018 120.041 119.914 0.181 0.000 2.407 98 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 98 V C 2.637 178.830 176.094 0.164 0.000 1.055 98 V CA 1.696 64.083 62.300 0.144 0.000 1.049 98 V CB -1.206 30.691 31.823 0.122 0.000 0.662 98 V HN 0.702 nan 8.190 nan 0.000 0.455 99 G N 0.210 109.077 108.800 0.112 0.000 2.511 99 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.216 99 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.216 99 G C 1.675 176.591 174.900 0.026 0.000 1.218 99 G CA 0.924 46.082 45.100 0.097 0.000 0.788 99 G HN 0.332 nan 8.290 nan 0.000 0.560 100 R N 1.369 121.838 120.500 -0.051 0.000 2.134 100 R HA -0.146 4.194 4.340 -0.000 0.000 0.248 100 R C 2.611 178.904 176.300 -0.010 0.000 1.143 100 R CA 2.446 58.490 56.100 -0.093 0.000 0.957 100 R CB -1.430 28.812 30.300 -0.097 0.000 0.867 100 R HN 0.321 nan 8.270 nan 0.000 0.441 101 G N 1.117 109.937 108.800 0.033 0.000 2.491 101 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.218 101 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.218 101 G C 1.763 176.755 174.900 0.153 0.000 1.180 101 G CA 1.308 46.517 45.100 0.181 0.000 0.774 101 G HN 0.361 nan 8.290 nan 0.000 0.562 102 L N -1.138 120.156 121.223 0.117 0.000 1.994 102 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 102 L C 2.538 179.328 176.870 -0.134 0.000 1.071 102 L CA 1.449 56.276 54.840 -0.021 0.000 0.745 102 L CB -1.007 41.052 42.059 -0.000 0.000 0.892 102 L HN 0.221 nan 8.230 nan 0.000 0.431 103 Y N 0.152 120.112 120.300 -0.567 0.000 2.040 103 Y HA -0.353 4.197 4.550 -0.000 0.000 0.275 103 Y C 2.303 177.797 175.900 -0.677 0.000 1.171 103 Y CA 1.823 59.296 58.100 -1.046 0.000 1.123 103 Y CB -0.511 36.993 38.460 -1.592 0.000 0.963 103 Y HN 0.057 nan 8.280 nan 0.000 0.493 104 Y N -0.207 120.028 120.300 -0.109 0.000 2.529 104 Y HA 0.165 4.715 4.550 -0.000 0.000 0.290 104 Y C 1.932 177.747 175.900 -0.143 0.000 1.177 104 Y CA 0.447 58.504 58.100 -0.071 0.000 1.305 104 Y CB -0.195 38.320 38.460 0.092 0.000 1.047 104 Y HN 0.361 nan 8.280 nan 0.000 0.522 105 G N -0.873 107.890 108.800 -0.062 0.000 2.162 105 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.260 105 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.260 105 G C 1.321 175.798 174.900 -0.705 0.000 0.976 105 G CA 0.617 45.462 45.100 -0.424 0.000 0.655 105 G HN 0.377 nan 8.290 nan 0.000 0.533 106 S N -0.078 115.435 115.700 -0.312 0.000 2.407 106 S HA -0.246 4.224 4.470 -0.000 0.000 0.235 106 S C 1.940 176.246 174.600 -0.489 0.000 1.036 106 S CA 2.167 60.163 58.200 -0.339 0.000 1.013 106 S CB -0.522 62.683 63.200 0.008 0.000 0.820 106 S HN 1.160 nan 8.310 nan 0.000 0.476 107 Y N 2.381 122.317 120.300 -0.607 0.000 2.651 107 Y HA -0.107 4.443 4.550 -0.000 0.000 0.293 107 Y C 2.179 177.724 175.900 -0.593 0.000 1.151 107 Y CA 0.944 58.487 58.100 -0.928 0.000 1.362 107 Y CB -2.131 35.195 38.460 -1.891 0.000 0.973 107 Y HN 0.296 nan 8.280 nan 0.000 0.561 108 T N -3.107 110.889 114.554 -0.930 0.000 2.977 108 T HA -0.134 4.216 4.350 -0.000 0.000 0.271 108 T C 0.238 174.753 174.700 -0.308 0.000 1.105 108 T CA 0.215 61.907 62.100 -0.680 0.000 1.116 108 T CB -0.846 67.550 68.868 -0.786 0.000 0.878 108 T HN 0.177 nan 8.240 nan 0.000 0.509 109 F N 2.547 122.433 119.950 -0.106 0.000 2.619 109 F HA 0.458 4.985 4.527 -0.000 0.000 0.350 109 F C 1.401 177.233 175.800 0.053 0.000 1.259 109 F CA -2.223 55.776 58.000 -0.002 0.000 1.204 109 F CB -0.834 38.197 39.000 0.052 0.000 1.556 109 F HN 0.019 nan 8.300 nan 0.000 0.650 110 L N 0.564 121.892 121.223 0.175 0.000 1.963 110 L HA -0.292 4.048 4.340 -0.000 0.000 0.220 110 L C 2.089 179.040 176.870 0.135 0.000 1.076 110 L CA 1.794 56.721 54.840 0.145 0.000 0.772 110 L CB -0.494 41.608 42.059 0.071 0.000 0.892 110 L HN 0.324 nan 8.230 nan 0.000 0.435 111 E N -0.275 119.912 120.200 -0.021 0.000 2.070 111 E HA -0.197 4.152 4.350 -0.000 0.000 0.197 111 E C 2.080 178.593 176.600 -0.145 0.000 1.004 111 E CA 2.009 58.239 56.400 -0.283 0.000 0.805 111 E CB -0.592 28.602 29.700 -0.843 0.000 0.744 111 E HN 0.387 nan 8.360 nan 0.000 0.451 112 T N 0.399 114.974 114.554 0.034 0.000 2.622 112 T HA -0.206 4.144 4.350 -0.000 0.000 0.266 112 T C 1.270 176.139 174.700 0.282 0.000 1.047 112 T CA 1.308 63.474 62.100 0.110 0.000 1.159 112 T CB -0.536 68.407 68.868 0.126 0.000 0.863 112 T HN 0.398 nan 8.240 nan 0.000 0.422 113 W N 2.393 123.794 121.300 0.168 0.000 2.317 113 W HA -0.231 4.429 4.660 0.000 0.000 0.318 113 W C 1.984 178.600 176.519 0.162 0.000 1.227 113 W CA 1.601 59.061 57.345 0.192 0.000 1.269 113 W CB -0.598 28.960 29.460 0.164 0.000 1.155 113 W HN 0.397 nan 8.180 nan 0.000 0.484 114 N N 0.105 118.949 118.700 0.241 0.000 2.166 114 N HA -0.221 4.519 4.740 -0.000 0.000 0.186 114 N C 1.599 177.123 175.510 0.023 0.000 1.019 114 N CA 1.513 54.608 53.050 0.075 0.000 0.856 114 N CB -0.288 38.251 38.487 0.086 0.000 0.993 114 N HN 0.014 nan 8.380 nan 0.000 0.426 115 I N 1.127 121.756 120.570 0.099 0.000 2.286 115 I HA -0.121 4.049 4.170 -0.000 0.000 0.248 115 I C 2.585 178.754 176.117 0.086 0.000 1.115 115 I CA 1.054 62.441 61.300 0.145 0.000 1.392 115 I CB -1.737 36.440 38.000 0.294 0.000 1.065 115 I HN 0.125 nan 8.210 nan 0.000 0.418 116 G N 0.177 109.054 108.800 0.129 0.000 2.448 116 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.219 116 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.219 116 G C 1.854 176.620 174.900 -0.224 0.000 1.127 116 G CA 0.747 45.773 45.100 -0.124 0.000 0.766 116 G HN 0.296 nan 8.290 nan 0.000 0.552 117 V N 1.113 120.878 119.914 -0.249 0.000 2.453 117 V HA -0.059 4.061 4.120 -0.000 0.000 0.247 117 V C 2.707 178.728 176.094 -0.121 0.000 1.048 117 V CA 0.778 62.946 62.300 -0.220 0.000 1.049 117 V CB -0.173 31.527 31.823 -0.204 0.000 0.672 117 V HN 0.255 nan 8.190 nan 0.000 0.457 118 I N -0.219 120.299 120.570 -0.086 0.000 2.286 118 I HA -0.200 3.970 4.170 -0.000 0.000 0.248 118 I C 2.273 178.344 176.117 -0.076 0.000 1.115 118 I CA 1.719 62.985 61.300 -0.057 0.000 1.392 118 I CB -0.878 37.108 38.000 -0.023 0.000 1.065 118 I HN 0.285 nan 8.210 nan 0.000 0.418 119 L N -0.495 120.662 121.223 -0.110 0.000 2.141 119 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 119 L C 2.458 179.248 176.870 -0.133 0.000 1.094 119 L CA 0.590 55.350 54.840 -0.134 0.000 0.763 119 L CB -0.424 41.504 42.059 -0.217 0.000 0.908 119 L HN 0.223 nan 8.230 nan 0.000 0.437 120 L N -0.087 121.058 121.223 -0.131 0.000 2.007 120 L HA -0.161 4.179 4.340 -0.000 0.000 0.205 120 L C 2.319 179.135 176.870 -0.089 0.000 1.073 120 L CA 1.717 56.488 54.840 -0.115 0.000 0.744 120 L CB -0.492 41.520 42.059 -0.080 0.000 0.898 120 L HN 0.054 nan 8.230 nan 0.000 0.435 121 L N -0.608 120.576 121.223 -0.065 0.000 2.043 121 L HA -0.262 4.078 4.340 -0.000 0.000 0.212 121 L C 2.565 179.403 176.870 -0.055 0.000 1.075 121 L CA 2.090 56.901 54.840 -0.048 0.000 0.752 121 L CB -1.521 40.513 42.059 -0.041 0.000 0.891 121 L HN 0.544 nan 8.230 nan 0.000 0.432 122 T N -3.044 111.466 114.554 -0.073 0.000 2.708 122 T HA -0.200 4.150 4.350 -0.000 0.000 0.266 122 T C 1.879 176.514 174.700 -0.109 0.000 1.037 122 T CA 1.329 63.381 62.100 -0.081 0.000 1.146 122 T CB -0.901 67.921 68.868 -0.077 0.000 0.865 122 T HN 0.174 nan 8.240 nan 0.000 0.435 123 V N 0.661 120.467 119.914 -0.180 0.000 2.626 123 V HA -0.012 4.108 4.120 -0.000 0.000 0.252 123 V C 2.470 178.502 176.094 -0.103 0.000 1.067 123 V CA 1.730 63.843 62.300 -0.311 0.000 1.081 123 V CB -0.697 30.747 31.823 -0.632 0.000 0.686 123 V HN 0.544 nan 8.190 nan 0.000 0.468 124 M N -0.125 119.482 119.600 0.013 0.000 2.064 124 M HA -0.052 4.428 4.480 -0.000 0.000 0.260 124 M C 2.417 178.866 176.300 0.248 0.000 1.073 124 M CA 2.240 57.675 55.300 0.224 0.000 1.124 124 M CB -0.560 32.056 32.600 0.027 0.000 1.326 124 M HN 0.468 nan 8.290 nan 0.000 0.410 125 A N -0.498 122.389 122.820 0.112 0.000 1.948 125 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 125 A C 2.148 179.800 177.584 0.113 0.000 1.177 125 A CA 2.444 54.552 52.037 0.118 0.000 0.636 125 A CB -1.226 17.775 19.000 0.003 0.000 0.815 125 A HN 0.488 nan 8.150 nan 0.000 0.449 126 T N -0.226 114.364 114.554 0.059 0.000 2.668 126 T HA 0.016 4.366 4.350 -0.000 0.000 0.262 126 T C 2.250 177.060 174.700 0.184 0.000 1.045 126 T CA 1.776 63.917 62.100 0.068 0.000 1.152 126 T CB -0.481 68.344 68.868 -0.071 0.000 0.864 126 T HN 0.615 nan 8.240 nan 0.000 0.419 127 A N 0.730 123.683 122.820 0.222 0.000 1.978 127 A HA -0.063 4.257 4.320 -0.000 0.000 0.220 127 A C 2.018 179.786 177.584 0.306 0.000 1.170 127 A CA 1.543 53.764 52.037 0.307 0.000 0.636 127 A CB -1.036 18.235 19.000 0.451 0.000 0.810 127 A HN 0.648 nan 8.150 nan 0.000 0.448 128 F N -0.026 120.017 119.950 0.155 0.000 2.026 128 F HA -0.256 4.271 4.527 -0.000 0.000 0.296 128 F C 2.351 177.895 175.800 -0.428 0.000 1.133 128 F CA 2.188 60.091 58.000 -0.161 0.000 1.188 128 F CB -0.218 38.789 39.000 0.012 0.000 0.968 128 F HN 0.175 nan 8.300 nan 0.000 0.476 129 M N 0.810 120.034 119.600 -0.627 0.000 2.144 129 M HA -0.178 4.302 4.480 -0.000 0.000 0.260 129 M C 2.422 178.419 176.300 -0.505 0.000 1.067 129 M CA 1.713 56.611 55.300 -0.670 0.000 1.095 129 M CB -1.174 31.148 32.600 -0.463 0.000 1.365 129 M HN 0.474 nan 8.290 nan 0.000 0.406 130 G N 0.551 109.017 108.800 -0.556 0.000 2.553 130 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.218 130 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.218 130 G C 1.184 175.886 174.900 -0.331 0.000 1.195 130 G CA 1.564 46.181 45.100 -0.806 0.000 0.779 130 G HN 0.722 nan 8.290 nan 0.000 0.577 131 Y N 0.142 120.352 120.300 -0.151 0.000 2.616 131 Y HA 0.280 4.830 4.550 -0.000 0.000 0.296 131 Y C 2.200 178.084 175.900 -0.027 0.000 1.154 131 Y CA 0.505 58.563 58.100 -0.069 0.000 1.325 131 Y CB -0.409 38.033 38.460 -0.030 0.000 1.007 131 Y HN 0.026 nan 8.280 nan 0.000 0.542 132 V N 1.361 121.148 119.914 -0.213 0.000 2.548 132 V HA -0.247 3.873 4.120 -0.000 0.000 0.249 132 V C 2.454 178.653 176.094 0.175 0.000 1.055 132 V CA 1.379 63.668 62.300 -0.017 0.000 1.065 132 V CB -0.618 31.181 31.823 -0.039 0.000 0.681 132 V HN 0.536 nan 8.190 nan 0.000 0.462 133 L N 0.335 121.591 121.223 0.056 0.000 1.997 133 L HA -0.186 4.154 4.340 -0.000 0.000 0.216 133 L C 0.041 177.036 176.870 0.208 0.000 1.074 133 L CA 2.003 56.884 54.840 0.068 0.000 0.763 133 L CB -2.314 39.605 42.059 -0.233 0.000 0.890 133 L HN 0.369 nan 8.230 nan 0.000 0.434 134 P HA -0.217 nan 4.420 nan 0.000 0.228 134 P C 0.282 177.787 177.300 0.342 0.000 1.151 134 P CA 0.850 64.030 63.100 0.135 0.000 0.770 134 P CB -0.091 31.582 31.700 -0.044 0.000 0.786 135 W N -0.832 120.529 121.300 0.102 0.000 4.949 135 W HA -0.155 4.505 4.660 -0.000 0.000 0.380 135 W C 0.153 176.810 176.519 0.230 0.000 1.446 135 W CA -0.101 57.328 57.345 0.141 0.000 0.869 135 W CB -1.392 28.146 29.460 0.129 0.000 2.591 135 W HN -0.045 nan 8.180 nan 0.000 1.398 136 G N 0.585 109.509 108.800 0.208 0.000 2.543 136 G HA2 0.198 4.158 3.960 -0.000 0.000 0.290 136 G HA3 0.198 4.158 3.960 -0.000 0.000 0.290 136 G C 0.627 175.562 174.900 0.058 0.000 1.310 136 G CA 0.134 45.360 45.100 0.210 0.000 1.025 136 G HN 0.215 nan 8.290 nan 0.000 0.502 137 Q N -1.001 118.892 119.800 0.155 0.000 2.020 137 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 137 Q C 2.751 178.935 176.000 0.308 0.000 0.982 137 Q CA 1.147 57.098 55.803 0.246 0.000 0.838 137 Q CB -0.318 28.618 28.738 0.330 0.000 0.899 137 Q HN 0.404 nan 8.270 nan 0.000 0.423 138 M N 0.518 120.262 119.600 0.241 0.000 2.149 138 M HA -0.109 4.371 4.480 -0.000 0.000 0.261 138 M C 2.215 178.651 176.300 0.227 0.000 1.064 138 M CA 1.285 56.708 55.300 0.204 0.000 1.102 138 M CB -1.223 31.439 32.600 0.104 0.000 1.369 138 M HN 0.024 nan 8.290 nan 0.000 0.408 139 S N 0.145 115.958 115.700 0.189 0.000 2.370 139 S HA -0.155 4.315 4.470 -0.000 0.000 0.226 139 S C 1.796 176.357 174.600 -0.065 0.000 1.033 139 S CA 1.282 59.567 58.200 0.142 0.000 1.011 139 S CB -0.560 62.713 63.200 0.122 0.000 0.852 139 S HN 0.458 nan 8.310 nan 0.000 0.457 140 F N 0.985 120.689 119.950 -0.410 0.000 2.084 140 F HA -0.052 4.475 4.527 -0.000 0.000 0.296 140 F C 2.024 177.520 175.800 -0.506 0.000 1.111 140 F CA 1.401 58.949 58.000 -0.753 0.000 1.224 140 F CB -0.190 38.052 39.000 -1.265 0.000 0.991 140 F HN 0.250 nan 8.300 nan 0.000 0.471 141 W N 0.456 121.781 121.300 0.041 0.000 2.576 141 W HA 0.136 4.796 4.660 -0.000 0.000 0.270 141 W C 2.430 178.948 176.519 -0.001 0.000 1.255 141 W CA 0.927 58.279 57.345 0.012 0.000 1.314 141 W CB -1.483 28.031 29.460 0.090 0.000 1.101 141 W HN 0.197 nan 8.180 nan 0.000 0.595 142 G N 1.147 110.090 108.800 0.239 0.000 2.459 142 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.217 142 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.217 142 G C 1.721 176.779 174.900 0.264 0.000 1.183 142 G CA 1.675 46.921 45.100 0.244 0.000 0.776 142 G HN 0.181 nan 8.290 nan 0.000 0.552 143 A N -0.297 122.623 122.820 0.166 0.000 2.178 143 A HA 0.127 4.447 4.320 -0.000 0.000 0.218 143 A C 2.355 180.030 177.584 0.151 0.000 1.157 143 A CA 2.287 54.441 52.037 0.195 0.000 0.689 143 A CB -0.365 18.575 19.000 -0.100 0.000 0.787 143 A HN 0.354 nan 8.150 nan 0.000 0.465 144 T N -0.989 113.574 114.554 0.015 0.000 3.053 144 T HA 0.000 4.350 4.350 -0.000 0.000 0.236 144 T C 2.041 176.881 174.700 0.233 0.000 0.996 144 T CA 1.159 63.310 62.100 0.086 0.000 1.185 144 T CB -0.866 67.940 68.868 -0.104 0.000 0.892 144 T HN 0.567 nan 8.240 nan 0.000 0.432 145 V N 1.519 121.555 119.914 0.203 0.000 2.278 145 V HA -0.203 3.917 4.120 -0.000 0.000 0.251 145 V C 2.105 178.265 176.094 0.110 0.000 1.062 145 V CA 1.615 64.011 62.300 0.160 0.000 1.038 145 V CB -1.258 30.629 31.823 0.106 0.000 0.646 145 V HN 0.457 nan 8.190 nan 0.000 0.447 146 I N 1.535 122.145 120.570 0.066 0.000 2.138 146 I HA -0.198 3.972 4.170 -0.000 0.000 0.225 146 I C 3.047 179.182 176.117 0.029 0.000 1.057 146 I CA 2.417 63.692 61.300 -0.042 0.000 1.343 146 I CB -1.339 36.476 38.000 -0.308 0.000 1.118 146 I HN 0.522 nan 8.210 nan 0.000 0.395 147 T N 0.003 114.640 114.554 0.138 0.000 2.731 147 T HA -0.371 3.979 4.350 -0.000 0.000 0.259 147 T C 1.713 176.416 174.700 0.004 0.000 1.054 147 T CA 2.242 64.432 62.100 0.151 0.000 1.158 147 T CB -1.184 67.903 68.868 0.365 0.000 0.847 147 T HN 0.300 nan 8.240 nan 0.000 0.470 148 N N 1.732 120.485 118.700 0.088 0.000 2.049 148 N HA -0.138 4.602 4.740 -0.000 0.000 0.198 148 N C 1.965 177.467 175.510 -0.014 0.000 1.030 148 N CA 1.945 55.015 53.050 0.033 0.000 0.870 148 N CB -0.652 37.939 38.487 0.174 0.000 1.045 148 N HN 0.500 nan 8.380 nan 0.000 0.434 149 L N 1.030 122.261 121.223 0.014 0.000 2.230 149 L HA -0.269 4.071 4.340 -0.000 0.000 0.223 149 L C 2.121 178.981 176.870 -0.016 0.000 1.091 149 L CA 1.253 56.095 54.840 0.003 0.000 0.807 149 L CB -0.655 41.402 42.059 -0.004 0.000 0.896 149 L HN 0.248 nan 8.230 nan 0.000 0.445 150 L N -0.529 120.668 121.223 -0.045 0.000 2.456 150 L HA -0.110 4.230 4.340 -0.000 0.000 0.224 150 L C 2.453 179.295 176.870 -0.047 0.000 1.148 150 L CA 0.985 55.796 54.840 -0.048 0.000 0.825 150 L CB -0.585 41.436 42.059 -0.065 0.000 0.937 150 L HN 0.395 nan 8.230 nan 0.000 0.450 151 S N -0.600 115.071 115.700 -0.050 0.000 2.607 151 S HA 0.083 4.553 4.470 -0.000 0.000 0.224 151 S C 1.802 176.406 174.600 0.006 0.000 0.969 151 S CA 0.425 58.609 58.200 -0.027 0.000 0.927 151 S CB 0.083 63.276 63.200 -0.012 0.000 0.772 151 S HN 0.333 nan 8.310 nan 0.000 0.533 152 A N 1.138 123.963 122.820 0.008 0.000 2.147 152 A HA 0.450 4.770 4.320 -0.000 0.000 0.211 152 A C 0.808 178.405 177.584 0.021 0.000 1.160 152 A CA -0.264 51.785 52.037 0.020 0.000 0.781 152 A CB -0.377 18.636 19.000 0.020 0.000 0.842 152 A HN 0.578 nan 8.150 nan 0.000 0.475 153 I N 2.175 122.754 120.570 0.014 0.000 2.581 153 I HA 0.084 4.254 4.170 -0.000 0.000 0.285 153 I C -2.184 173.956 176.117 0.039 0.000 1.129 153 I CA -1.658 59.654 61.300 0.021 0.000 1.397 153 I CB 0.575 38.581 38.000 0.009 0.000 1.399 153 I HN 0.054 nan 8.210 nan 0.000 0.537 154 P HA -0.164 nan 4.420 nan 0.000 0.264 154 P C 0.170 177.574 177.300 0.172 0.000 1.179 154 P CA 0.551 63.708 63.100 0.096 0.000 0.763 154 P CB 0.185 31.934 31.700 0.081 0.000 0.806 155 Y N 2.750 123.052 120.300 0.004 0.000 3.049 155 Y HA -0.318 4.232 4.550 -0.000 0.000 0.478 155 Y C 1.018 176.919 175.900 0.001 0.000 1.177 155 Y CA 2.505 60.607 58.100 0.003 0.000 2.663 155 Y CB -1.818 36.640 38.460 -0.002 0.000 0.854 155 Y HN 0.431 nan 8.280 nan 0.000 0.525 156 I N -2.813 117.695 120.570 -0.103 0.000 4.240 156 I HA 0.522 4.692 4.170 -0.000 0.000 0.331 156 I C 1.966 178.025 176.117 -0.096 0.000 1.381 156 I CA 0.540 61.716 61.300 -0.205 0.000 1.136 156 I CB -0.205 37.673 38.000 -0.203 0.000 1.137 156 I HN 0.224 nan 8.210 nan 0.000 0.411 157 G N 2.390 111.165 108.800 -0.042 0.000 2.529 157 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.219 157 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.219 157 G C 1.422 176.294 174.900 -0.047 0.000 1.177 157 G CA 2.249 47.330 45.100 -0.032 0.000 0.773 157 G HN 0.404 nan 8.290 nan 0.000 0.573 158 T N 1.171 115.707 114.554 -0.029 0.000 2.580 158 T HA -0.231 4.119 4.350 -0.000 0.000 0.265 158 T C 2.169 176.860 174.700 -0.014 0.000 1.063 158 T CA 1.664 63.760 62.100 -0.007 0.000 1.170 158 T CB -0.641 68.244 68.868 0.028 0.000 0.863 158 T HN 0.502 nan 8.240 nan 0.000 0.418 159 N N 1.033 119.715 118.700 -0.029 0.000 2.049 159 N HA -0.120 4.620 4.740 -0.000 0.000 0.198 159 N C 1.859 177.383 175.510 0.025 0.000 1.030 159 N CA 1.361 54.399 53.050 -0.020 0.000 0.870 159 N CB -0.527 37.905 38.487 -0.091 0.000 1.045 159 N HN 0.287 nan 8.380 nan 0.000 0.434 160 L N 0.291 121.516 121.223 0.004 0.000 2.017 160 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 160 L C 2.191 179.077 176.870 0.027 0.000 1.073 160 L CA 0.870 55.766 54.840 0.095 0.000 0.745 160 L CB -0.647 41.441 42.059 0.049 0.000 0.894 160 L HN 0.097 nan 8.230 nan 0.000 0.432 161 V N -0.332 119.482 119.914 -0.167 0.000 2.469 161 V HA -0.254 3.866 4.120 -0.000 0.000 0.251 161 V C 2.202 177.903 176.094 -0.655 0.000 1.064 161 V CA 1.750 63.734 62.300 -0.528 0.000 1.066 161 V CB -0.622 30.799 31.823 -0.669 0.000 0.667 161 V HN 0.471 nan 8.190 nan 0.000 0.461 162 E N -1.432 118.665 120.200 -0.173 0.000 2.230 162 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 162 E C 1.876 178.564 176.600 0.147 0.000 0.987 162 E CA 0.823 57.282 56.400 0.099 0.000 0.841 162 E CB -0.107 29.679 29.700 0.143 0.000 0.783 162 E HN 0.781 nan 8.360 nan 0.000 0.481 163 W N 1.202 122.470 121.300 -0.054 0.000 2.418 163 W HA -0.019 4.641 4.660 -0.000 0.000 0.292 163 W C 1.466 178.007 176.519 0.036 0.000 1.213 163 W CA 0.915 58.251 57.345 -0.015 0.000 1.283 163 W CB -0.050 29.390 29.460 -0.033 0.000 1.119 163 W HN -0.098 nan 8.180 nan 0.000 0.542 164 I N -0.396 120.078 120.570 -0.160 0.000 2.928 164 I HA -0.196 3.974 4.170 -0.000 0.000 0.266 164 I C 1.718 177.862 176.117 0.047 0.000 1.234 164 I CA 0.491 61.643 61.300 -0.247 0.000 1.483 164 I CB -0.451 37.456 38.000 -0.155 0.000 1.097 164 I HN 0.050 nan 8.210 nan 0.000 0.455 165 W N 0.550 121.820 121.300 -0.050 0.000 2.588 165 W HA 0.241 4.901 4.660 -0.000 0.000 0.277 165 W C 2.003 178.465 176.519 -0.095 0.000 1.221 165 W CA 1.008 58.318 57.345 -0.060 0.000 1.355 165 W CB -0.736 28.706 29.460 -0.029 0.000 1.083 165 W HN 0.279 nan 8.180 nan 0.000 0.581 166 G N -0.303 108.578 108.800 0.134 0.000 2.176 166 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.253 166 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.253 166 G C 0.525 175.415 174.900 -0.017 0.000 0.979 166 G CA 0.490 45.605 45.100 0.024 0.000 0.641 166 G HN 0.662 nan 8.290 nan 0.000 0.530 167 G N -1.689 107.108 108.800 -0.006 0.000 2.894 167 G HA2 0.574 4.534 3.960 -0.000 0.000 0.164 167 G HA3 0.574 4.534 3.960 -0.000 0.000 0.164 167 G C -0.131 174.635 174.900 -0.223 0.000 1.180 167 G CA 0.306 45.322 45.100 -0.140 0.000 0.997 167 G HN 0.348 nan 8.290 nan 0.000 0.572 168 F N 0.538 120.566 119.950 0.131 0.000 2.746 168 F HA 0.626 5.153 4.527 -0.000 0.000 0.320 168 F C 0.933 176.762 175.800 0.047 0.000 1.097 168 F CA 0.175 58.278 58.000 0.172 0.000 1.195 168 F CB 1.385 40.450 39.000 0.108 0.000 1.056 168 F HN 0.452 nan 8.300 nan 0.000 0.562 169 S N -1.197 114.464 115.700 -0.064 0.000 2.790 169 S HA 0.636 5.106 4.470 -0.000 0.000 0.292 169 S C -1.480 172.620 174.600 -0.833 0.000 1.197 169 S CA -0.545 57.305 58.200 -0.583 0.000 0.851 169 S CB 0.762 63.841 63.200 -0.201 0.000 1.217 169 S HN -0.319 nan 8.310 nan 0.000 0.526 170 V N 3.542 122.925 119.914 -0.886 0.000 2.408 170 V HA 0.514 4.634 4.120 -0.000 0.000 0.267 170 V C -0.201 175.847 176.094 -0.076 0.000 1.047 170 V CA 0.413 62.310 62.300 -0.670 0.000 0.937 170 V CB 0.232 31.483 31.823 -0.954 0.000 0.999 170 V HN 0.922 nan 8.190 nan 0.000 0.472 171 D N 2.842 123.217 120.400 -0.042 0.000 3.435 171 D HA 0.175 4.815 4.640 -0.000 0.000 0.352 171 D C 0.783 177.023 176.300 -0.100 0.000 1.460 171 D CA -0.672 53.367 54.000 0.064 0.000 0.935 171 D CB 0.587 41.435 40.800 0.079 0.000 1.468 171 D HN 0.055 nan 8.370 nan 0.000 0.573 172 K N -0.314 120.017 120.400 -0.115 0.000 2.170 172 K HA -0.326 3.994 4.320 -0.000 0.000 0.217 172 K C 2.081 178.582 176.600 -0.165 0.000 0.877 172 K CA 3.747 59.940 56.287 -0.156 0.000 0.997 172 K CB -1.119 31.323 32.500 -0.096 0.000 0.964 172 K HN 0.485 nan 8.250 nan 0.000 0.519 173 A N -0.548 122.206 122.820 -0.110 0.000 2.032 173 A HA -0.201 4.119 4.320 -0.000 0.000 0.221 173 A C 2.163 179.684 177.584 -0.104 0.000 1.165 173 A CA 2.420 54.404 52.037 -0.088 0.000 0.645 173 A CB -0.721 18.248 19.000 -0.050 0.000 0.807 173 A HN 0.536 nan 8.150 nan 0.000 0.453 174 T N -0.496 113.958 114.554 -0.166 0.000 2.937 174 T HA 0.090 4.440 4.350 -0.000 0.000 0.260 174 T C 1.792 176.242 174.700 -0.416 0.000 1.051 174 T CA 0.811 62.739 62.100 -0.286 0.000 1.141 174 T CB -0.161 68.506 68.868 -0.336 0.000 0.879 174 T HN 0.349 nan 8.240 nan 0.000 0.459 175 L N 1.422 122.407 121.223 -0.396 0.000 2.044 175 L HA -0.109 4.231 4.340 -0.000 0.000 0.205 175 L C 3.052 179.864 176.870 -0.096 0.000 1.075 175 L CA 1.839 56.459 54.840 -0.366 0.000 0.747 175 L CB -0.756 40.883 42.059 -0.700 0.000 0.903 175 L HN 0.454 nan 8.230 nan 0.000 0.435 176 T N -2.419 112.076 114.554 -0.099 0.000 2.684 176 T HA -0.316 4.034 4.350 -0.000 0.000 0.267 176 T C 1.930 176.670 174.700 0.067 0.000 1.036 176 T CA 1.430 63.544 62.100 0.024 0.000 1.148 176 T CB -0.426 68.418 68.868 -0.041 0.000 0.863 176 T HN 0.255 nan 8.240 nan 0.000 0.436 177 R N 0.373 120.881 120.500 0.012 0.000 2.132 177 R HA -0.103 4.237 4.340 -0.000 0.000 0.233 177 R C 2.348 178.749 176.300 0.169 0.000 1.125 177 R CA 2.295 58.396 56.100 0.002 0.000 0.914 177 R CB -0.787 29.634 30.300 0.202 0.000 0.845 177 R HN 0.556 nan 8.270 nan 0.000 0.431 178 F N -0.420 119.575 119.950 0.074 0.000 2.120 178 F HA -0.272 4.255 4.527 -0.000 0.000 0.300 178 F C 2.287 178.177 175.800 0.150 0.000 1.095 178 F CA 0.909 58.986 58.000 0.128 0.000 1.249 178 F CB -0.378 38.618 39.000 -0.007 0.000 0.995 178 F HN 0.190 nan 8.300 nan 0.000 0.480 179 F N 0.901 120.972 119.950 0.202 0.000 2.069 179 F HA -0.259 4.268 4.527 -0.000 0.000 0.298 179 F C 2.418 178.332 175.800 0.190 0.000 1.113 179 F CA 1.416 59.524 58.000 0.179 0.000 1.214 179 F CB -0.431 38.693 39.000 0.207 0.000 0.978 179 F HN -0.090 nan 8.300 nan 0.000 0.474 180 A N 0.452 123.180 122.820 -0.153 0.000 1.883 180 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 180 A C 1.971 179.425 177.584 -0.218 0.000 1.186 180 A CA 1.889 53.725 52.037 -0.335 0.000 0.624 180 A CB -1.489 17.272 19.000 -0.399 0.000 0.822 180 A HN 0.469 nan 8.150 nan 0.000 0.444 181 F N -0.788 119.147 119.950 -0.025 0.000 2.146 181 F HA -0.093 4.434 4.527 -0.000 0.000 0.298 181 F C 2.238 178.008 175.800 -0.051 0.000 1.096 181 F CA 1.506 59.473 58.000 -0.055 0.000 1.275 181 F CB -1.167 37.768 39.000 -0.109 0.000 1.008 181 F HN 0.487 nan 8.300 nan 0.000 0.480 182 H N -1.318 117.778 119.070 0.044 0.000 2.518 182 H HA -0.168 4.388 4.556 -0.000 0.000 0.289 182 H C 1.873 177.135 175.328 -0.110 0.000 1.051 182 H CA 1.194 57.214 56.048 -0.047 0.000 1.280 182 H CB -0.261 29.485 29.762 -0.027 0.000 1.380 182 H HN 0.148 nan 8.280 nan 0.000 0.566 183 F N -0.439 119.317 119.950 -0.323 0.000 2.220 183 F HA 0.079 4.606 4.527 -0.000 0.000 0.290 183 F C 2.247 177.846 175.800 -0.335 0.000 1.080 183 F CA 0.674 58.429 58.000 -0.407 0.000 1.318 183 F CB -0.573 38.140 39.000 -0.478 0.000 1.063 183 F HN 0.226 nan 8.300 nan 0.000 0.498 184 I N -0.658 119.979 120.570 0.111 0.000 2.617 184 I HA -0.195 3.975 4.170 -0.000 0.000 0.256 184 I C 2.172 178.311 176.117 0.037 0.000 1.167 184 I CA 0.642 62.033 61.300 0.152 0.000 1.469 184 I CB -0.128 37.948 38.000 0.127 0.000 1.098 184 I HN 0.121 nan 8.210 nan 0.000 0.436 185 L N 1.457 122.652 121.223 -0.046 0.000 1.989 185 L HA -0.159 4.181 4.340 -0.000 0.000 0.211 185 L C -0.408 176.364 176.870 -0.163 0.000 1.071 185 L CA 1.953 56.744 54.840 -0.083 0.000 0.749 185 L CB -1.825 40.186 42.059 -0.081 0.000 0.890 185 L HN 0.200 nan 8.230 nan 0.000 0.431 186 P HA -0.182 nan 4.420 nan 0.000 0.219 186 P C 1.290 178.448 177.300 -0.237 0.000 1.146 186 P CA 1.540 64.434 63.100 -0.342 0.000 0.808 186 P CB -0.035 31.363 31.700 -0.503 0.000 0.779 187 F N -1.148 118.804 119.950 0.004 0.000 2.098 187 F HA -0.093 4.434 4.527 -0.000 0.000 0.294 187 F C 2.398 178.203 175.800 0.008 0.000 1.107 187 F CA 0.619 58.628 58.000 0.016 0.000 1.234 187 F CB -0.946 38.069 39.000 0.025 0.000 1.002 187 F HN -0.235 nan 8.300 nan 0.000 0.472 188 I N 0.515 121.189 120.570 0.173 0.000 2.151 188 I HA -0.355 3.815 4.170 -0.000 0.000 0.243 188 I C 2.346 178.495 176.117 0.053 0.000 1.080 188 I CA 1.609 62.965 61.300 0.093 0.000 1.339 188 I CB -0.549 37.488 38.000 0.061 0.000 1.039 188 I HN 0.161 nan 8.210 nan 0.000 0.409 189 I N 0.091 120.668 120.570 0.013 0.000 2.091 189 I HA -0.410 3.760 4.170 -0.000 0.000 0.239 189 I C 2.740 178.874 176.117 0.029 0.000 1.061 189 I CA 1.852 63.148 61.300 -0.005 0.000 1.317 189 I CB -0.326 37.644 38.000 -0.050 0.000 1.031 189 I HN 0.293 nan 8.210 nan 0.000 0.401 190 M N 0.522 120.154 119.600 0.055 0.000 2.108 190 M HA -0.309 4.171 4.480 -0.000 0.000 0.257 190 M C 2.305 178.650 176.300 0.074 0.000 1.071 190 M CA 2.390 57.737 55.300 0.079 0.000 1.093 190 M CB -0.167 32.509 32.600 0.127 0.000 1.345 190 M HN 0.349 nan 8.290 nan 0.000 0.403 191 A N 0.873 123.740 122.820 0.078 0.000 1.835 191 A HA -0.177 4.143 4.320 -0.000 0.000 0.215 191 A C 1.857 179.481 177.584 0.066 0.000 1.199 191 A CA 1.843 53.918 52.037 0.064 0.000 0.615 191 A CB -0.998 18.039 19.000 0.061 0.000 0.838 191 A HN 0.562 nan 8.150 nan 0.000 0.444 192 I N 0.441 121.050 120.570 0.064 0.000 2.181 192 I HA -0.346 3.824 4.170 -0.000 0.000 0.247 192 I C 2.911 179.088 176.117 0.100 0.000 1.081 192 I CA 1.631 62.977 61.300 0.076 0.000 1.340 192 I CB -1.921 36.105 38.000 0.043 0.000 1.036 192 I HN 0.388 nan 8.210 nan 0.000 0.417 193 A N 0.722 123.582 122.820 0.066 0.000 1.892 193 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 193 A C 2.428 180.104 177.584 0.154 0.000 1.188 193 A CA 2.208 54.296 52.037 0.084 0.000 0.631 193 A CB -0.683 18.344 19.000 0.044 0.000 0.822 193 A HN 0.413 nan 8.150 nan 0.000 0.447 194 M N -0.753 118.906 119.600 0.098 0.000 2.149 194 M HA -0.149 4.331 4.480 -0.000 0.000 0.261 194 M C 2.067 178.406 176.300 0.065 0.000 1.064 194 M CA 1.454 56.792 55.300 0.063 0.000 1.102 194 M CB -0.438 32.177 32.600 0.025 0.000 1.369 194 M HN 0.294 nan 8.290 nan 0.000 0.408 195 V N -0.860 119.121 119.914 0.112 0.000 2.453 195 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 195 V C 2.165 178.442 176.094 0.304 0.000 1.048 195 V CA 2.137 64.524 62.300 0.145 0.000 1.049 195 V CB -1.033 30.910 31.823 0.199 0.000 0.672 195 V HN 0.472 nan 8.190 nan 0.000 0.457 196 H N 0.026 119.215 119.070 0.198 0.000 2.267 196 H HA -0.193 4.363 4.556 -0.000 0.000 0.297 196 H C 2.000 177.459 175.328 0.218 0.000 1.080 196 H CA 2.150 58.333 56.048 0.224 0.000 1.278 196 H CB -0.269 29.582 29.762 0.148 0.000 1.365 196 H HN 0.213 nan 8.280 nan 0.000 0.489 197 L N 0.101 121.451 121.223 0.212 0.000 2.083 197 L HA -0.092 4.248 4.340 -0.000 0.000 0.209 197 L C 2.395 179.265 176.870 -0.000 0.000 1.083 197 L CA 1.410 56.317 54.840 0.112 0.000 0.752 197 L CB -1.258 40.861 42.059 0.100 0.000 0.899 197 L HN 0.488 nan 8.230 nan 0.000 0.433 198 L N -0.958 120.220 121.223 -0.075 0.000 1.955 198 L HA -0.229 4.111 4.340 -0.000 0.000 0.213 198 L C 2.329 179.100 176.870 -0.166 0.000 1.072 198 L CA 2.011 56.722 54.840 -0.215 0.000 0.755 198 L CB -0.990 40.886 42.059 -0.304 0.000 0.888 198 L HN 0.162 nan 8.230 nan 0.000 0.432 199 F N -0.791 119.143 119.950 -0.026 0.000 2.192 199 F HA -0.219 4.308 4.527 -0.000 0.000 0.301 199 F C 2.260 178.008 175.800 -0.086 0.000 1.079 199 F CA 1.595 59.572 58.000 -0.038 0.000 1.303 199 F CB -0.820 38.170 39.000 -0.016 0.000 1.024 199 F HN 0.216 nan 8.300 nan 0.000 0.494 200 L N -0.550 120.728 121.223 0.092 0.000 2.093 200 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 200 L C 2.325 179.186 176.870 -0.015 0.000 1.085 200 L CA 1.979 56.807 54.840 -0.021 0.000 0.755 200 L CB -0.871 41.211 42.059 0.039 0.000 0.904 200 L HN 0.224 nan 8.230 nan 0.000 0.435 201 H N -1.431 117.582 119.070 -0.095 0.000 2.546 201 H HA -0.104 4.452 4.556 -0.000 0.000 0.277 201 H C 1.649 176.919 175.328 -0.097 0.000 1.004 201 H CA 0.840 56.838 56.048 -0.083 0.000 1.231 201 H CB 0.434 30.157 29.762 -0.066 0.000 1.382 201 H HN 0.447 nan 8.280 nan 0.000 0.580 202 E N 0.684 120.884 120.200 0.001 0.000 2.204 202 E HA -0.102 4.248 4.350 -0.000 0.000 0.194 202 E C 1.899 178.448 176.600 -0.086 0.000 0.989 202 E CA 1.639 58.020 56.400 -0.032 0.000 0.824 202 E CB 0.273 29.972 29.700 -0.000 0.000 0.756 202 E HN 0.506 nan 8.360 nan 0.000 0.477 203 T N -4.589 109.842 114.554 -0.204 0.000 2.954 203 T HA 0.467 4.817 4.350 -0.000 0.000 0.252 203 T C 0.931 175.512 174.700 -0.198 0.000 0.983 203 T CA 0.089 62.040 62.100 -0.247 0.000 0.941 203 T CB 0.520 69.033 68.868 -0.592 0.000 1.141 203 T HN 0.304 nan 8.240 nan 0.000 0.500 204 G N 1.202 109.872 108.800 -0.218 0.000 2.760 204 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.246 204 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.246 204 G C -0.425 174.421 174.900 -0.090 0.000 1.359 204 G CA -0.415 44.603 45.100 -0.136 0.000 0.861 204 G HN 0.574 nan 8.290 nan 0.000 0.541 205 S N -0.085 115.632 115.700 0.028 0.000 2.586 205 S HA 0.440 4.910 4.470 -0.000 0.000 0.274 205 S C 0.908 175.670 174.600 0.270 0.000 1.281 205 S CA -0.145 58.165 58.200 0.185 0.000 1.035 205 S CB 0.922 64.194 63.200 0.119 0.000 0.962 205 S HN 0.800 nan 8.310 nan 0.000 0.512 206 N N 2.012 120.999 118.700 0.478 0.000 2.327 206 N HA 0.179 4.919 4.740 -0.000 0.000 0.257 206 N C -0.605 174.997 175.510 0.154 0.000 1.281 206 N CA -0.292 52.950 53.050 0.321 0.000 0.942 206 N CB 0.373 39.003 38.487 0.239 0.000 1.199 206 N HN 0.852 nan 8.380 nan 0.000 0.532 207 N N -0.351 118.371 118.700 0.038 0.000 2.853 207 N HA 0.254 4.994 4.740 -0.000 0.000 0.258 207 N C -2.698 172.724 175.510 -0.146 0.000 1.444 207 N CA -1.170 51.684 53.050 -0.326 0.000 0.837 207 N CB 1.520 39.817 38.487 -0.317 0.000 1.489 207 N HN 0.168 nan 8.380 nan 0.000 0.529 208 P HA -0.113 nan 4.420 nan 0.000 0.218 208 P C 1.223 178.608 177.300 0.142 0.000 1.146 208 P CA 2.158 65.215 63.100 -0.072 0.000 0.813 208 P CB -0.050 31.626 31.700 -0.040 0.000 0.778 209 T N -6.243 108.349 114.554 0.063 0.000 3.044 209 T HA 0.284 4.634 4.350 -0.000 0.000 0.250 209 T C 1.641 176.430 174.700 0.147 0.000 1.081 209 T CA 0.565 62.721 62.100 0.093 0.000 1.040 209 T CB -0.864 68.124 68.868 0.200 0.000 0.962 209 T HN 0.194 nan 8.240 nan 0.000 0.506 210 G N 1.327 110.193 108.800 0.111 0.000 2.166 210 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.260 210 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.260 210 G C 0.712 175.653 174.900 0.068 0.000 0.986 210 G CA 0.661 45.803 45.100 0.071 0.000 0.683 210 G HN 0.585 nan 8.290 nan 0.000 0.527 211 I N -0.560 120.069 120.570 0.097 0.000 2.272 211 I HA 0.264 4.434 4.170 -0.000 0.000 0.235 211 I C 1.329 177.476 176.117 0.050 0.000 1.071 211 I CA 1.509 62.862 61.300 0.088 0.000 1.374 211 I CB 0.036 38.105 38.000 0.114 0.000 1.121 211 I HN 0.636 nan 8.210 nan 0.000 0.420 212 S N -0.426 115.300 115.700 0.044 0.000 2.999 212 S HA -0.031 4.439 4.470 -0.000 0.000 0.275 212 S C 0.329 174.944 174.600 0.025 0.000 0.465 212 S CA 0.010 58.231 58.200 0.036 0.000 0.561 212 S CB -0.466 62.754 63.200 0.033 0.000 0.767 212 S HN 0.328 nan 8.310 nan 0.000 0.678 213 S N 2.639 118.348 115.700 0.015 0.000 2.556 213 S HA 0.153 4.623 4.470 -0.000 0.000 0.216 213 S C 1.059 175.662 174.600 0.005 0.000 0.970 213 S CA 0.397 58.598 58.200 0.001 0.000 0.912 213 S CB -0.037 63.150 63.200 -0.023 0.000 0.790 213 S HN 0.674 nan 8.310 nan 0.000 0.504 214 D N 2.553 122.962 120.400 0.014 0.000 2.254 214 D HA -0.108 4.532 4.640 -0.000 0.000 0.201 214 D C 1.649 177.955 176.300 0.010 0.000 0.998 214 D CA 1.100 55.109 54.000 0.014 0.000 0.885 214 D CB -0.326 40.484 40.800 0.017 0.000 0.915 214 D HN 0.454 nan 8.370 nan 0.000 0.460 215 V N -0.656 119.263 119.914 0.008 0.000 3.461 215 V HA -0.007 4.113 4.120 -0.000 0.000 0.267 215 V C 0.574 176.668 176.094 -0.001 0.000 1.186 215 V CA 0.609 62.912 62.300 0.005 0.000 1.154 215 V CB -0.146 31.682 31.823 0.007 0.000 0.802 215 V HN 0.001 nan 8.190 nan 0.000 0.474 216 D N 0.423 120.820 120.400 -0.005 0.000 3.118 216 D HA 0.177 4.817 4.640 -0.000 0.000 0.259 216 D C -0.238 176.050 176.300 -0.020 0.000 1.292 216 D CA -0.235 53.755 54.000 -0.016 0.000 0.784 216 D CB 0.384 41.170 40.800 -0.024 0.000 1.413 216 D HN 0.067 nan 8.370 nan 0.000 0.583 217 K N 1.000 121.397 120.400 -0.005 0.000 2.110 217 K HA 0.600 4.920 4.320 -0.000 0.000 0.263 217 K C 0.494 177.098 176.600 0.007 0.000 0.975 217 K CA -0.651 55.641 56.287 0.009 0.000 0.895 217 K CB 1.960 34.476 32.500 0.027 0.000 1.060 217 K HN 0.455 nan 8.250 nan 0.000 0.448 218 I N -1.181 119.402 120.570 0.023 0.000 2.846 218 I HA 0.525 4.695 4.170 -0.000 0.000 0.307 218 I C -2.694 173.510 176.117 0.145 0.000 1.053 218 I CA -3.151 58.165 61.300 0.026 0.000 1.050 218 I CB 2.014 39.907 38.000 -0.178 0.000 1.239 218 I HN 0.213 nan 8.210 nan 0.000 0.439 219 P HA 0.187 nan 4.420 nan 0.000 0.275 219 P C 0.023 177.509 177.300 0.311 0.000 1.227 219 P CA -0.173 63.074 63.100 0.244 0.000 0.781 219 P CB 0.544 32.363 31.700 0.198 0.000 0.906 220 F N 2.069 122.166 119.950 0.245 0.000 2.126 220 F HA -0.145 4.382 4.527 -0.000 0.000 0.299 220 F C 1.688 177.644 175.800 0.260 0.000 1.096 220 F CA 1.352 59.541 58.000 0.316 0.000 1.255 220 F CB -0.854 38.325 39.000 0.298 0.000 0.997 220 F HN 0.418 nan 8.300 nan 0.000 0.479 221 H N 0.584 119.840 119.070 0.311 0.000 3.045 221 H HA -0.085 4.471 4.556 -0.000 0.000 0.372 221 H C -1.429 173.841 175.328 -0.096 0.000 1.298 221 H CA 0.286 56.410 56.048 0.127 0.000 1.416 221 H CB -0.093 29.791 29.762 0.203 0.000 1.369 221 H HN -0.101 nan 8.280 nan 0.000 0.604 222 P HA -0.443 nan 4.420 nan 0.000 0.269 222 P C 0.776 177.748 177.300 -0.546 0.000 0.795 222 P CA 2.973 65.519 63.100 -0.925 0.000 1.040 222 P CB -0.610 30.429 31.700 -1.102 0.000 0.867 223 Y N -3.360 116.725 120.300 -0.357 0.000 2.031 223 Y HA -0.308 4.242 4.550 -0.000 0.000 0.169 223 Y C 2.471 177.991 175.900 -0.634 0.000 1.168 223 Y CA 2.449 60.222 58.100 -0.545 0.000 0.813 223 Y CB -2.414 35.611 38.460 -0.725 0.000 0.648 223 Y HN 0.269 nan 8.280 nan 0.000 0.607 224 Y N -0.621 119.477 120.300 -0.337 0.000 2.482 224 Y HA 0.044 4.594 4.550 -0.000 0.000 0.270 224 Y C 2.381 178.073 175.900 -0.346 0.000 1.152 224 Y CA 0.680 58.393 58.100 -0.646 0.000 1.292 224 Y CB -0.790 36.819 38.460 -1.419 0.000 1.070 224 Y HN 0.421 nan 8.280 nan 0.000 0.528 225 T N -2.204 112.396 114.554 0.077 0.000 2.809 225 T HA -0.126 4.224 4.350 -0.000 0.000 0.260 225 T C 1.951 176.734 174.700 0.139 0.000 1.039 225 T CA 0.991 63.281 62.100 0.316 0.000 1.141 225 T CB -0.552 68.594 68.868 0.464 0.000 0.869 225 T HN 0.367 nan 8.240 nan 0.000 0.437 226 I N 0.658 121.251 120.570 0.039 0.000 2.439 226 I HA 0.011 4.181 4.170 -0.000 0.000 0.251 226 I C 2.545 178.667 176.117 0.007 0.000 1.139 226 I CA 1.000 62.304 61.300 0.008 0.000 1.438 226 I CB -0.107 37.867 38.000 -0.043 0.000 1.085 226 I HN 0.131 nan 8.210 nan 0.000 0.427 227 K N 0.404 120.808 120.400 0.006 0.000 2.486 227 K HA -0.140 4.180 4.320 -0.000 0.000 0.194 227 K C 0.856 177.488 176.600 0.053 0.000 1.033 227 K CA 0.906 57.211 56.287 0.029 0.000 1.004 227 K CB 0.079 32.614 32.500 0.057 0.000 0.798 227 K HN 0.317 nan 8.250 nan 0.000 0.495 228 D N 0.320 120.766 120.400 0.076 0.000 2.277 228 D HA 0.069 4.709 4.640 -0.000 0.000 0.209 228 D C 1.843 178.159 176.300 0.026 0.000 0.970 228 D CA 0.356 54.400 54.000 0.072 0.000 0.874 228 D CB 0.203 41.091 40.800 0.147 0.000 0.982 228 D HN 0.141 nan 8.370 nan 0.000 0.504 229 I N 0.702 121.290 120.570 0.029 0.000 2.090 229 I HA -0.229 3.941 4.170 -0.000 0.000 0.236 229 I C 2.541 178.655 176.117 -0.005 0.000 1.064 229 I CA 0.708 62.014 61.300 0.009 0.000 1.324 229 I CB -0.234 37.776 38.000 0.017 0.000 1.044 229 I HN 0.038 nan 8.210 nan 0.000 0.399 230 L N 0.835 122.054 121.223 -0.006 0.000 1.991 230 L HA -0.273 4.067 4.340 -0.000 0.000 0.221 230 L C 2.554 179.407 176.870 -0.028 0.000 1.079 230 L CA 2.316 57.147 54.840 -0.014 0.000 0.778 230 L CB -1.094 40.956 42.059 -0.015 0.000 0.893 230 L HN 0.399 nan 8.230 nan 0.000 0.437 231 G N -1.073 107.703 108.800 -0.040 0.000 2.529 231 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.219 231 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.219 231 G C 1.619 176.476 174.900 -0.072 0.000 1.177 231 G CA 1.088 46.141 45.100 -0.078 0.000 0.773 231 G HN 0.618 nan 8.290 nan 0.000 0.573 232 A N 0.049 122.839 122.820 -0.050 0.000 1.972 232 A HA 0.064 4.384 4.320 -0.000 0.000 0.219 232 A C 2.366 179.934 177.584 -0.026 0.000 1.169 232 A CA 1.704 53.716 52.037 -0.042 0.000 0.635 232 A CB -0.384 18.595 19.000 -0.034 0.000 0.810 232 A HN 0.417 nan 8.150 nan 0.000 0.446 233 L N -0.269 120.941 121.223 -0.020 0.000 2.046 233 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 233 L C 2.320 179.188 176.870 -0.004 0.000 1.077 233 L CA 1.587 56.422 54.840 -0.009 0.000 0.747 233 L CB -0.472 41.583 42.059 -0.007 0.000 0.896 233 L HN 0.421 nan 8.230 nan 0.000 0.432 234 L N -1.384 119.831 121.223 -0.013 0.000 2.042 234 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 234 L C 2.448 179.324 176.870 0.009 0.000 1.076 234 L CA 1.176 56.013 54.840 -0.006 0.000 0.749 234 L CB -0.614 41.429 42.059 -0.027 0.000 0.893 234 L HN 0.348 nan 8.230 nan 0.000 0.432 235 L N -0.621 120.601 121.223 -0.003 0.000 2.201 235 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 235 L C 2.264 179.153 176.870 0.030 0.000 1.105 235 L CA 1.491 56.341 54.840 0.018 0.000 0.775 235 L CB -0.236 41.821 42.059 -0.003 0.000 0.913 235 L HN 0.083 nan 8.230 nan 0.000 0.440 236 I N -0.981 119.600 120.570 0.019 0.000 2.286 236 I HA -0.177 3.993 4.170 -0.000 0.000 0.245 236 I C 2.353 178.494 176.117 0.040 0.000 1.104 236 I CA 0.914 62.229 61.300 0.024 0.000 1.397 236 I CB -1.157 36.848 38.000 0.009 0.000 1.072 236 I HN 0.329 nan 8.210 nan 0.000 0.417 237 L N 1.605 122.852 121.223 0.041 0.000 1.990 237 L HA -0.193 4.147 4.340 -0.000 0.000 0.213 237 L C 2.614 179.530 176.870 0.078 0.000 1.072 237 L CA 2.461 57.336 54.840 0.058 0.000 0.755 237 L CB -1.035 41.055 42.059 0.051 0.000 0.889 237 L HN 0.206 nan 8.230 nan 0.000 0.432 238 A N -0.600 122.265 122.820 0.075 0.000 1.851 238 A HA -0.252 4.068 4.320 -0.000 0.000 0.216 238 A C 2.293 179.939 177.584 0.104 0.000 1.195 238 A CA 2.152 54.244 52.037 0.093 0.000 0.622 238 A CB -1.319 17.739 19.000 0.096 0.000 0.831 238 A HN 0.540 nan 8.150 nan 0.000 0.444 239 L N -1.092 120.189 121.223 0.097 0.000 2.043 239 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 239 L C 2.325 179.255 176.870 0.099 0.000 1.075 239 L CA 2.316 57.218 54.840 0.104 0.000 0.752 239 L CB -0.423 41.688 42.059 0.087 0.000 0.891 239 L HN 0.332 nan 8.230 nan 0.000 0.432 240 M N -1.606 118.041 119.600 0.079 0.000 2.254 240 M HA -0.108 4.372 4.480 -0.000 0.000 0.265 240 M C 2.196 178.546 176.300 0.084 0.000 1.066 240 M CA 1.151 56.489 55.300 0.063 0.000 1.123 240 M CB -1.196 31.427 32.600 0.037 0.000 1.388 240 M HN 0.272 nan 8.290 nan 0.000 0.425 241 L N 0.042 121.349 121.223 0.139 0.000 2.012 241 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 241 L C 2.242 179.238 176.870 0.210 0.000 1.073 241 L CA 1.597 56.577 54.840 0.233 0.000 0.748 241 L CB -1.361 40.816 42.059 0.196 0.000 0.891 241 L HN 0.173 nan 8.230 nan 0.000 0.431 242 L N -1.567 119.748 121.223 0.154 0.000 1.925 242 L HA -0.189 4.151 4.340 -0.000 0.000 0.215 242 L C 2.510 179.455 176.870 0.125 0.000 1.082 242 L CA 1.487 56.413 54.840 0.144 0.000 0.764 242 L CB -1.295 40.853 42.059 0.149 0.000 0.887 242 L HN -0.013 nan 8.230 nan 0.000 0.432 243 V N -0.365 119.627 119.914 0.130 0.000 2.277 243 V HA -0.343 3.777 4.120 -0.000 0.000 0.255 243 V C 2.292 178.436 176.094 0.084 0.000 1.074 243 V CA 2.284 64.668 62.300 0.140 0.000 1.058 243 V CB -0.616 31.299 31.823 0.153 0.000 0.656 243 V HN 0.406 nan 8.190 nan 0.000 0.449 244 L N -2.746 118.468 121.223 -0.016 0.000 2.567 244 L HA 0.178 4.518 4.340 -0.000 0.000 0.225 244 L C 1.608 178.199 176.870 -0.466 0.000 1.119 244 L CA 0.456 55.166 54.840 -0.218 0.000 0.871 244 L CB 0.058 41.902 42.059 -0.359 0.000 1.036 244 L HN 0.256 nan 8.230 nan 0.000 0.459 245 F N -1.161 118.820 119.950 0.052 0.000 2.754 245 F HA 0.377 4.904 4.527 -0.000 0.000 0.316 245 F C 1.225 177.027 175.800 0.003 0.000 0.959 245 F CA -0.196 57.817 58.000 0.022 0.000 1.148 245 F CB 0.286 39.301 39.000 0.025 0.000 0.951 245 F HN -0.187 nan 8.300 nan 0.000 0.625 246 A N -0.161 122.766 122.820 0.178 0.000 2.992 246 A HA 0.489 4.809 4.320 -0.000 0.000 0.263 246 A C -1.901 175.720 177.584 0.062 0.000 0.928 246 A CA -0.798 51.299 52.037 0.100 0.000 1.061 246 A CB -0.558 18.503 19.000 0.102 0.000 1.173 246 A HN -0.028 nan 8.150 nan 0.000 0.482 247 P HA -0.194 nan 4.420 nan 0.000 0.218 247 P C 0.447 177.784 177.300 0.061 0.000 1.152 247 P CA 1.555 64.640 63.100 -0.025 0.000 0.857 247 P CB 0.260 31.781 31.700 -0.297 0.000 0.787 248 D N -2.151 118.276 120.400 0.046 0.000 2.402 248 D HA 0.121 4.761 4.640 -0.000 0.000 0.216 248 D C 1.587 177.936 176.300 0.081 0.000 1.128 248 D CA -0.164 53.896 54.000 0.100 0.000 0.833 248 D CB -0.081 40.762 40.800 0.071 0.000 0.971 248 D HN 0.117 nan 8.370 nan 0.000 0.503 249 L N 0.015 121.279 121.223 0.068 0.000 2.127 249 L HA -0.079 4.261 4.340 -0.000 0.000 0.211 249 L C 1.686 178.585 176.870 0.049 0.000 1.089 249 L CA 1.197 56.065 54.840 0.046 0.000 0.757 249 L CB 0.192 42.275 42.059 0.038 0.000 0.899 249 L HN 0.032 nan 8.230 nan 0.000 0.434 250 L N -1.044 120.233 121.223 0.089 0.000 2.728 250 L HA 0.300 4.640 4.340 -0.000 0.000 0.238 250 L C 0.643 177.622 176.870 0.181 0.000 1.143 250 L CA -0.237 54.668 54.840 0.109 0.000 0.937 250 L CB 0.203 42.350 42.059 0.146 0.000 1.225 250 L HN 0.178 nan 8.230 nan 0.000 0.507 251 G N -0.817 108.077 108.800 0.156 0.000 2.416 251 G HA2 0.187 4.147 3.960 -0.000 0.000 0.324 251 G HA3 0.187 4.147 3.960 -0.000 0.000 0.324 251 G C -1.098 173.884 174.900 0.136 0.000 1.194 251 G CA -0.335 44.864 45.100 0.164 0.000 0.922 251 G HN -0.144 nan 8.290 nan 0.000 0.467 252 D N 2.674 123.142 120.400 0.113 0.000 2.363 252 D HA 0.168 4.808 4.640 -0.000 0.000 0.263 252 D C -1.926 174.482 176.300 0.179 0.000 1.258 252 D CA -1.059 53.019 54.000 0.129 0.000 0.907 252 D CB 1.389 42.251 40.800 0.103 0.000 1.107 252 D HN -0.001 nan 8.370 nan 0.000 0.495 253 P HA 0.253 nan 4.420 nan 0.000 0.260 253 P C -0.618 176.765 177.300 0.138 0.000 1.651 253 P CA 0.032 63.176 63.100 0.074 0.000 1.139 253 P CB 0.577 32.249 31.700 -0.048 0.000 1.756 254 D N 1.236 121.797 120.400 0.269 0.000 4.009 254 D HA -0.089 4.551 4.640 -0.000 0.000 0.329 254 D C 0.843 177.323 176.300 0.301 0.000 0.558 254 D CA 0.066 54.220 54.000 0.257 0.000 0.776 254 D CB -1.224 39.701 40.800 0.209 0.000 1.651 254 D HN 0.015 nan 8.370 nan 0.000 0.171 255 N N -0.781 118.124 118.700 0.343 0.000 2.412 255 N HA 0.087 4.827 4.740 -0.000 0.000 0.184 255 N C -0.109 175.597 175.510 0.326 0.000 1.101 255 N CA 0.482 53.699 53.050 0.279 0.000 0.881 255 N CB 0.177 38.784 38.487 0.199 0.000 0.969 255 N HN 0.128 nan 8.380 nan 0.000 0.459 256 Y N 0.773 121.233 120.300 0.266 0.000 2.282 256 Y HA 0.166 4.716 4.550 -0.000 0.000 0.335 256 Y C 0.901 177.036 175.900 0.391 0.000 1.335 256 Y CA -0.182 58.157 58.100 0.397 0.000 1.529 256 Y CB 0.186 38.804 38.460 0.264 0.000 1.429 256 Y HN 0.110 nan 8.280 nan 0.000 0.563 257 T N 0.255 115.079 114.554 0.450 0.000 1.247 257 T HA -0.118 4.232 4.350 -0.000 0.000 0.692 257 T C -2.572 172.120 174.700 -0.012 0.000 0.971 257 T CA -1.135 61.012 62.100 0.078 0.000 3.665 257 T CB -1.483 67.451 68.868 0.110 0.000 2.085 257 T HN 0.351 nan 8.240 nan 0.000 0.386 258 P HA 0.314 nan 4.420 nan 0.000 0.274 258 P C 0.901 178.112 177.300 -0.148 0.000 1.248 258 P CA 0.524 63.467 63.100 -0.262 0.000 0.827 258 P CB -0.015 31.462 31.700 -0.372 0.000 0.972 259 A N 0.616 123.273 122.820 -0.272 0.000 2.267 259 A HA 0.404 4.724 4.320 -0.000 0.000 0.276 259 A C 0.319 177.644 177.584 -0.432 0.000 1.336 259 A CA 0.438 52.162 52.037 -0.523 0.000 0.815 259 A CB -0.342 18.032 19.000 -1.043 0.000 1.256 259 A HN 0.651 nan 8.150 nan 0.000 0.512 260 N N -1.788 116.486 118.700 -0.710 0.000 4.650 260 N HA 0.083 4.823 4.740 -0.000 0.000 0.147 260 N C -2.793 172.408 175.510 -0.515 0.000 1.331 260 N CA -0.486 52.313 53.050 -0.418 0.000 0.997 260 N CB 0.403 38.849 38.487 -0.068 0.000 1.701 260 N HN 0.058 nan 8.380 nan 0.000 0.857 261 P HA -0.003 nan 4.420 nan 0.000 0.229 261 P C 1.323 178.649 177.300 0.044 0.000 1.150 261 P CA 0.784 63.579 63.100 -0.507 0.000 0.765 261 P CB 0.374 31.844 31.700 -0.383 0.000 0.783 262 L N -2.534 118.720 121.223 0.052 0.000 2.202 262 L HA 0.008 4.348 4.340 -0.000 0.000 0.205 262 L C 1.993 178.947 176.870 0.140 0.000 1.083 262 L CA 0.731 55.623 54.840 0.088 0.000 0.790 262 L CB -0.856 41.218 42.059 0.024 0.000 0.942 262 L HN 0.045 nan 8.230 nan 0.000 0.452 263 N N 0.235 119.062 118.700 0.212 0.000 2.135 263 N HA 0.007 4.747 4.740 -0.000 0.000 0.237 263 N C -0.129 175.174 175.510 -0.345 0.000 1.267 263 N CA 1.042 54.117 53.050 0.042 0.000 0.953 263 N CB 0.158 38.702 38.487 0.096 0.000 1.094 263 N HN 0.006 nan 8.380 nan 0.000 0.414 264 T N 0.374 114.315 114.554 -1.022 0.000 1.520 264 T HA -0.015 4.335 4.350 -0.000 0.000 0.673 264 T C -2.963 171.365 174.700 -0.621 0.000 0.949 264 T CA -0.719 60.492 62.100 -1.482 0.000 3.556 264 T CB -0.166 68.018 68.868 -1.141 0.000 2.072 264 T HN 0.333 nan 8.240 nan 0.000 0.456 265 P HA 0.429 nan 4.420 nan 0.000 0.245 265 P C -2.494 174.762 177.300 -0.073 0.000 1.740 265 P CA -1.638 61.368 63.100 -0.156 0.000 1.125 265 P CB 0.145 31.828 31.700 -0.028 0.000 1.747 266 P HA -0.187 nan 4.420 nan 0.000 0.207 266 P C 0.256 177.614 177.300 0.097 0.000 0.945 266 P CA 1.559 64.648 63.100 -0.018 0.000 1.033 266 P CB -0.634 31.057 31.700 -0.015 0.000 1.023 267 H N 2.438 121.492 119.070 -0.026 0.000 5.327 267 H HA -0.095 4.461 4.556 -0.000 0.000 0.091 267 H C -0.257 175.085 175.328 0.023 0.000 1.321 267 H CA 0.219 56.271 56.048 0.006 0.000 0.338 267 H CB -0.488 29.276 29.762 0.003 0.000 1.664 267 H HN 0.151 nan 8.280 nan 0.000 0.110 268 I N 2.151 122.191 120.570 -0.883 0.000 6.211 268 I HA -0.196 3.974 4.170 -0.000 0.000 0.126 268 I C -1.943 173.946 176.117 -0.380 0.000 1.376 268 I CA 1.461 62.403 61.300 -0.597 0.000 2.526 268 I CB -0.602 37.262 38.000 -0.227 0.000 2.573 268 I HN 0.615 nan 8.210 nan 0.000 0.296 269 K N 5.237 125.388 120.400 -0.415 0.000 2.508 269 K HA 0.814 5.134 4.320 -0.000 0.000 0.260 269 K C -2.727 173.602 176.600 -0.451 0.000 0.949 269 K CA -1.714 54.338 56.287 -0.392 0.000 0.834 269 K CB 1.146 33.580 32.500 -0.111 0.000 1.365 269 K HN 0.375 nan 8.250 nan 0.000 0.437 270 P HA -0.000 nan 4.420 nan 0.000 0.272 270 P C -0.535 176.364 177.300 -0.669 0.000 1.254 270 P CA -0.418 62.327 63.100 -0.591 0.000 0.795 270 P CB 0.430 31.773 31.700 -0.595 0.000 1.022 271 E N 0.884 120.452 120.200 -1.054 0.000 2.459 271 E HA -0.106 4.244 4.350 -0.000 0.000 0.264 271 E C 1.507 177.562 176.600 -0.908 0.000 1.055 271 E CA 0.169 55.927 56.400 -1.069 0.000 0.957 271 E CB 0.076 28.852 29.700 -1.541 0.000 0.952 271 E HN 0.648 nan 8.360 nan 0.000 0.448 272 W N 4.814 125.753 121.300 -0.601 0.000 2.274 272 W HA -0.329 4.331 4.660 -0.000 0.000 0.314 272 W C 1.252 177.750 176.519 -0.036 0.000 1.254 272 W CA 1.595 58.807 57.345 -0.222 0.000 1.265 272 W CB -1.302 28.138 29.460 -0.034 0.000 1.141 272 W HN 0.625 nan 8.180 nan 0.000 0.505 273 Y N -1.800 118.038 120.300 -0.770 0.000 2.688 273 Y HA 0.145 4.695 4.550 -0.000 0.000 0.311 273 Y C 1.420 177.391 175.900 0.119 0.000 1.185 273 Y CA 0.462 58.210 58.100 -0.587 0.000 1.336 273 Y CB -1.806 35.818 38.460 -1.393 0.000 1.015 273 Y HN -0.071 nan 8.280 nan 0.000 0.522 274 F N -1.178 118.610 119.950 -0.270 0.000 2.746 274 F HA 0.250 4.777 4.527 -0.000 0.000 0.320 274 F C 1.537 177.173 175.800 -0.273 0.000 1.097 274 F CA -0.401 57.427 58.000 -0.287 0.000 1.195 274 F CB 0.328 39.150 39.000 -0.296 0.000 1.056 274 F HN 0.008 nan 8.300 nan 0.000 0.562 275 L N 0.307 121.595 121.223 0.109 0.000 2.017 275 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 275 L C 2.648 179.572 176.870 0.090 0.000 1.073 275 L CA 1.878 56.810 54.840 0.153 0.000 0.745 275 L CB -0.866 41.327 42.059 0.223 0.000 0.894 275 L HN 0.314 nan 8.230 nan 0.000 0.432 276 F N 0.450 120.449 119.950 0.082 0.000 2.154 276 F HA -0.184 4.343 4.527 -0.000 0.000 0.301 276 F C 2.407 178.176 175.800 -0.052 0.000 1.087 276 F CA 1.037 59.025 58.000 -0.020 0.000 1.274 276 F CB -1.016 37.931 39.000 -0.087 0.000 1.009 276 F HN -0.054 nan 8.300 nan 0.000 0.485 277 A N -0.038 122.120 122.820 -1.104 0.000 1.897 277 A HA -0.121 4.199 4.320 -0.000 0.000 0.215 277 A C 2.174 179.634 177.584 -0.208 0.000 1.181 277 A CA 1.300 52.894 52.037 -0.739 0.000 0.620 277 A CB -1.614 16.866 19.000 -0.866 0.000 0.821 277 A HN 0.576 nan 8.150 nan 0.000 0.443 278 Y N 0.935 121.079 120.300 -0.260 0.000 2.070 278 Y HA -0.202 4.348 4.550 -0.000 0.000 0.280 278 Y C 2.777 178.610 175.900 -0.111 0.000 1.148 278 Y CA 1.107 59.125 58.100 -0.136 0.000 1.125 278 Y CB -1.117 37.281 38.460 -0.103 0.000 0.975 278 Y HN 0.325 nan 8.280 nan 0.000 0.492 279 A N 0.909 123.662 122.820 -0.112 0.000 1.884 279 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 279 A C 2.361 179.863 177.584 -0.137 0.000 1.197 279 A CA 2.327 54.248 52.037 -0.192 0.000 0.637 279 A CB -1.184 17.745 19.000 -0.118 0.000 0.827 279 A HN 0.508 nan 8.150 nan 0.000 0.450 280 I N -0.310 120.214 120.570 -0.077 0.000 2.091 280 I HA -0.281 3.889 4.170 -0.000 0.000 0.239 280 I C 2.595 178.696 176.117 -0.027 0.000 1.061 280 I CA 2.115 63.403 61.300 -0.020 0.000 1.317 280 I CB -1.451 36.566 38.000 0.028 0.000 1.031 280 I HN 0.542 nan 8.210 nan 0.000 0.401 281 L N 2.277 123.485 121.223 -0.026 0.000 1.997 281 L HA -0.244 4.096 4.340 -0.000 0.000 0.216 281 L C 2.739 179.583 176.870 -0.043 0.000 1.074 281 L CA 2.266 57.099 54.840 -0.012 0.000 0.763 281 L CB -0.754 41.322 42.059 0.029 0.000 0.890 281 L HN 0.318 nan 8.230 nan 0.000 0.434 282 R N -1.114 119.323 120.500 -0.106 0.000 2.299 282 R HA 0.128 4.468 4.340 -0.000 0.000 0.197 282 R C 1.304 177.538 176.300 -0.109 0.000 0.971 282 R CA 0.829 56.855 56.100 -0.124 0.000 1.030 282 R CB -0.690 29.479 30.300 -0.219 0.000 0.932 282 R HN 0.344 nan 8.270 nan 0.000 0.477 283 S N 0.951 116.592 115.700 -0.099 0.000 2.803 283 S HA 0.282 4.752 4.470 -0.000 0.000 0.228 283 S C 0.054 174.625 174.600 -0.049 0.000 0.953 283 S CA 0.065 58.220 58.200 -0.074 0.000 0.983 283 S CB -0.194 62.968 63.200 -0.063 0.000 0.784 283 S HN 0.256 nan 8.310 nan 0.000 0.498 284 I N 2.053 122.595 120.570 -0.046 0.000 2.548 284 I HA 0.268 4.438 4.170 -0.000 0.000 0.287 284 I C -2.747 173.354 176.117 -0.028 0.000 1.103 284 I CA -2.270 59.008 61.300 -0.036 0.000 1.049 284 I CB 2.633 40.611 38.000 -0.037 0.000 1.232 284 I HN -0.184 nan 8.210 nan 0.000 0.429 285 P HA 0.186 nan 4.420 nan 0.000 0.225 285 P C -0.830 176.465 177.300 -0.008 0.000 1.768 285 P CA 0.201 63.292 63.100 -0.014 0.000 0.943 285 P CB -0.205 31.488 31.700 -0.012 0.000 1.936 286 N N 0.701 119.397 118.700 -0.007 0.000 2.431 286 N HA 0.077 4.817 4.740 -0.000 0.000 0.275 286 N C 0.438 175.953 175.510 0.007 0.000 1.091 286 N CA -0.455 52.595 53.050 0.000 0.000 0.922 286 N CB 2.056 40.542 38.487 -0.003 0.000 1.666 286 N HN -0.152 nan 8.380 nan 0.000 0.484 287 K N 1.651 122.060 120.400 0.015 0.000 2.002 287 K HA -0.069 4.251 4.320 -0.000 0.000 0.209 287 K C 1.654 178.266 176.600 0.020 0.000 1.048 287 K CA 1.156 57.456 56.287 0.022 0.000 0.930 287 K CB 0.024 32.541 32.500 0.028 0.000 0.714 287 K HN 0.380 nan 8.250 nan 0.000 0.438 288 L N 0.681 121.914 121.223 0.018 0.000 2.027 288 L HA 0.013 4.353 4.340 -0.000 0.000 0.206 288 L C 2.189 179.067 176.870 0.013 0.000 1.074 288 L CA 2.240 57.090 54.840 0.017 0.000 0.745 288 L CB -1.097 40.972 42.059 0.018 0.000 0.898 288 L HN 0.329 nan 8.230 nan 0.000 0.433 289 G N -1.202 107.602 108.800 0.005 0.000 2.418 289 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.217 289 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.217 289 G C 1.522 176.418 174.900 -0.006 0.000 1.158 289 G CA 0.605 45.702 45.100 -0.005 0.000 0.771 289 G HN 0.590 nan 8.290 nan 0.000 0.545 290 G N 0.112 108.911 108.800 -0.002 0.000 2.446 290 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.217 290 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.217 290 G C 1.775 176.684 174.900 0.016 0.000 1.168 290 G CA 1.220 46.320 45.100 0.001 0.000 0.771 290 G HN 0.387 nan 8.290 nan 0.000 0.551 291 V N -0.082 119.845 119.914 0.021 0.000 2.548 291 V HA 0.031 4.151 4.120 -0.000 0.000 0.249 291 V C 2.729 178.847 176.094 0.039 0.000 1.055 291 V CA 1.395 63.711 62.300 0.027 0.000 1.065 291 V CB -0.066 31.768 31.823 0.020 0.000 0.681 291 V HN 0.271 nan 8.190 nan 0.000 0.462 292 L N 0.662 121.908 121.223 0.038 0.000 2.017 292 L HA -0.014 4.326 4.340 -0.000 0.000 0.208 292 L C 2.610 179.540 176.870 0.100 0.000 1.073 292 L CA 2.494 57.369 54.840 0.059 0.000 0.745 292 L CB -1.044 41.042 42.059 0.045 0.000 0.894 292 L HN 0.334 nan 8.230 nan 0.000 0.432 293 A N -1.101 121.750 122.820 0.052 0.000 1.972 293 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 293 A C 2.219 179.904 177.584 0.168 0.000 1.169 293 A CA 1.798 53.856 52.037 0.035 0.000 0.635 293 A CB -0.890 18.065 19.000 -0.075 0.000 0.810 293 A HN 0.430 nan 8.150 nan 0.000 0.446 294 L N -0.328 120.962 121.223 0.112 0.000 2.046 294 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 294 L C 2.593 179.545 176.870 0.137 0.000 1.077 294 L CA 2.151 57.049 54.840 0.098 0.000 0.747 294 L CB -0.738 41.341 42.059 0.034 0.000 0.896 294 L HN 0.325 nan 8.230 nan 0.000 0.432 295 A N -0.761 122.140 122.820 0.135 0.000 1.845 295 A HA -0.242 4.078 4.320 -0.000 0.000 0.215 295 A C 2.236 179.965 177.584 0.241 0.000 1.195 295 A CA 1.788 53.901 52.037 0.127 0.000 0.616 295 A CB -1.312 17.731 19.000 0.072 0.000 0.832 295 A HN 0.475 nan 8.150 nan 0.000 0.443 296 F N 1.375 121.430 119.950 0.175 0.000 2.154 296 F HA -0.202 4.325 4.527 -0.000 0.000 0.301 296 F C 2.836 178.904 175.800 0.447 0.000 1.087 296 F CA 1.276 59.453 58.000 0.296 0.000 1.274 296 F CB -0.666 38.502 39.000 0.280 0.000 1.009 296 F HN 0.294 nan 8.300 nan 0.000 0.485 297 S N -0.211 115.925 115.700 0.726 0.000 2.407 297 S HA -0.185 4.285 4.470 -0.000 0.000 0.235 297 S C 1.953 176.781 174.600 0.381 0.000 1.036 297 S CA 1.771 60.265 58.200 0.490 0.000 1.013 297 S CB -0.329 63.033 63.200 0.271 0.000 0.820 297 S HN 0.320 nan 8.310 nan 0.000 0.476 298 I N 0.218 120.973 120.570 0.310 0.000 3.300 298 I HA 0.212 4.382 4.170 -0.000 0.000 0.279 298 I C 1.790 178.018 176.117 0.185 0.000 1.172 298 I CA 0.405 61.845 61.300 0.233 0.000 1.431 298 I CB -0.921 37.173 38.000 0.157 0.000 1.240 298 I HN 0.280 nan 8.210 nan 0.000 0.453 299 L N 0.870 122.191 121.223 0.164 0.000 2.633 299 L HA -0.068 4.272 4.340 -0.000 0.000 0.235 299 L C 2.254 179.191 176.870 0.111 0.000 1.163 299 L CA 0.788 55.678 54.840 0.082 0.000 0.859 299 L CB -0.214 41.838 42.059 -0.011 0.000 0.973 299 L HN 0.229 nan 8.230 nan 0.000 0.451 300 I N -0.553 120.172 120.570 0.258 0.000 3.059 300 I HA -0.180 3.990 4.170 -0.000 0.000 0.270 300 I C 2.164 178.405 176.117 0.206 0.000 1.238 300 I CA 0.466 61.956 61.300 0.317 0.000 1.478 300 I CB 0.271 38.546 38.000 0.457 0.000 1.097 300 I HN 0.232 nan 8.210 nan 0.000 0.455 301 L N 0.822 122.160 121.223 0.193 0.000 2.042 301 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 301 L C 2.611 179.716 176.870 0.391 0.000 1.076 301 L CA 1.429 56.426 54.840 0.262 0.000 0.749 301 L CB -0.823 41.330 42.059 0.157 0.000 0.893 301 L HN 0.280 nan 8.230 nan 0.000 0.432 302 A N -0.873 122.095 122.820 0.247 0.000 2.259 302 A HA -0.085 4.235 4.320 -0.000 0.000 0.212 302 A C 2.076 179.771 177.584 0.184 0.000 1.178 302 A CA 0.949 53.131 52.037 0.241 0.000 0.734 302 A CB -0.262 18.808 19.000 0.116 0.000 0.774 302 A HN 0.325 nan 8.150 nan 0.000 0.481 303 L N -0.849 120.469 121.223 0.160 0.000 2.470 303 L HA 0.119 4.459 4.340 -0.000 0.000 0.219 303 L C 2.193 179.101 176.870 0.064 0.000 1.071 303 L CA 0.603 55.511 54.840 0.112 0.000 0.850 303 L CB -0.658 41.489 42.059 0.148 0.000 1.040 303 L HN 0.367 nan 8.230 nan 0.000 0.475 304 I N 1.593 122.175 120.570 0.020 0.000 2.103 304 I HA -0.311 3.859 4.170 -0.000 0.000 0.241 304 I C -0.233 175.793 176.117 -0.152 0.000 1.036 304 I CA 2.055 63.252 61.300 -0.171 0.000 1.300 304 I CB -1.959 35.810 38.000 -0.384 0.000 1.010 304 I HN 0.182 nan 8.210 nan 0.000 0.406 305 P HA -0.164 nan 4.420 nan 0.000 0.217 305 P C 1.842 179.199 177.300 0.095 0.000 1.148 305 P CA 1.452 64.630 63.100 0.131 0.000 0.828 305 P CB -0.088 31.650 31.700 0.064 0.000 0.783 306 L N -1.993 119.265 121.223 0.059 0.000 2.551 306 L HA -0.014 4.326 4.340 -0.000 0.000 0.228 306 L C 1.187 178.087 176.870 0.051 0.000 1.153 306 L CA 0.661 55.533 54.840 0.053 0.000 0.851 306 L CB -0.476 41.612 42.059 0.048 0.000 0.959 306 L HN 0.001 nan 8.230 nan 0.000 0.451 307 L N -1.704 119.549 121.223 0.049 0.000 3.209 307 L HA 0.245 4.585 4.340 -0.000 0.000 0.279 307 L C -0.107 176.784 176.870 0.036 0.000 1.301 307 L CA -0.465 54.389 54.840 0.023 0.000 1.004 307 L CB -0.208 41.843 42.059 -0.013 0.000 1.402 307 L HN 0.030 nan 8.230 nan 0.000 0.577 308 H N -0.444 118.635 119.070 0.014 0.000 2.620 308 H HA 0.234 4.790 4.556 -0.000 0.000 0.313 308 H C 0.734 176.047 175.328 -0.024 0.000 1.075 308 H CA 0.447 56.509 56.048 0.023 0.000 1.397 308 H CB 1.552 31.340 29.762 0.044 0.000 1.446 308 H HN 0.020 nan 8.280 nan 0.000 0.493 309 T N 1.875 116.260 114.554 -0.282 0.000 2.966 309 T HA 0.111 4.461 4.350 -0.000 0.000 0.254 309 T C 0.460 175.052 174.700 -0.180 0.000 0.961 309 T CA 0.177 62.185 62.100 -0.153 0.000 0.915 309 T CB 0.024 68.811 68.868 -0.134 0.000 1.186 309 T HN 0.539 nan 8.240 nan 0.000 0.505 310 S N 0.865 116.344 115.700 -0.369 0.000 2.585 310 S HA 0.248 4.718 4.470 -0.000 0.000 0.273 310 S C 1.084 175.629 174.600 -0.092 0.000 1.339 310 S CA -0.215 57.853 58.200 -0.221 0.000 1.028 310 S CB 0.692 63.723 63.200 -0.282 0.000 0.906 310 S HN 0.333 nan 8.310 nan 0.000 0.528 311 K N 1.620 121.949 120.400 -0.119 0.000 2.426 311 K HA 0.105 4.425 4.320 -0.000 0.000 0.193 311 K C 0.360 176.788 176.600 -0.287 0.000 1.028 311 K CA 0.422 56.520 56.287 -0.315 0.000 1.047 311 K CB 0.160 32.240 32.500 -0.699 0.000 0.821 311 K HN 0.624 nan 8.250 nan 0.000 0.513 312 Q N -0.176 119.593 119.800 -0.052 0.000 2.248 312 Q HA 0.260 4.600 4.340 -0.000 0.000 0.263 312 Q C 0.659 176.705 176.000 0.078 0.000 1.007 312 Q CA -0.407 55.424 55.803 0.047 0.000 0.877 312 Q CB 2.204 31.061 28.738 0.198 0.000 1.315 312 Q HN -0.023 nan 8.270 nan 0.000 0.454 313 R N 0.372 120.888 120.500 0.027 0.000 2.074 313 R HA 0.100 4.440 4.340 -0.000 0.000 0.218 313 R C 0.769 177.036 176.300 -0.056 0.000 1.137 313 R CA 0.490 56.550 56.100 -0.067 0.000 0.998 313 R CB 0.237 30.440 30.300 -0.161 0.000 0.895 313 R HN 0.561 nan 8.270 nan 0.000 0.442 314 S N -0.330 115.357 115.700 -0.022 0.000 2.652 314 S HA 0.144 4.614 4.470 -0.000 0.000 0.270 314 S C 0.881 175.345 174.600 -0.226 0.000 1.243 314 S CA -0.512 57.639 58.200 -0.081 0.000 0.999 314 S CB 1.077 64.306 63.200 0.049 0.000 0.973 314 S HN 0.290 nan 8.310 nan 0.000 0.544 315 M N 3.302 122.566 119.600 -0.559 0.000 2.563 315 M HA 0.108 4.588 4.480 -0.000 0.000 0.231 315 M C 1.737 177.701 176.300 -0.560 0.000 1.136 315 M CA 0.023 54.919 55.300 -0.673 0.000 1.026 315 M CB -0.146 31.725 32.600 -1.216 0.000 1.597 315 M HN 0.738 nan 8.290 nan 0.000 0.495 316 M N 0.150 119.463 119.600 -0.477 0.000 2.143 316 M HA -0.198 4.282 4.480 -0.000 0.000 0.258 316 M C 0.101 176.079 176.300 -0.537 0.000 1.071 316 M CA 1.962 56.970 55.300 -0.486 0.000 1.088 316 M CB -0.019 32.145 32.600 -0.726 0.000 1.360 316 M HN 0.220 nan 8.290 nan 0.000 0.404 317 F N -0.451 119.505 119.950 0.010 0.000 2.923 317 F HA 0.346 4.873 4.527 0.000 0.000 0.314 317 F C 0.145 175.944 175.800 -0.002 0.000 1.196 317 F CA -0.206 57.808 58.000 0.023 0.000 1.320 317 F CB 0.006 39.032 39.000 0.042 0.000 0.953 317 F HN -0.123 nan 8.300 nan 0.000 0.505 318 R N 0.537 121.063 120.500 0.044 0.000 2.644 318 R HA 0.227 4.567 4.340 -0.000 0.000 0.271 318 R C -2.219 174.079 176.300 -0.004 0.000 1.687 318 R CA -1.349 54.758 56.100 0.012 0.000 1.655 318 R CB 0.789 31.056 30.300 -0.054 0.000 1.285 318 R HN 0.005 nan 8.270 nan 0.000 0.643 319 P HA -0.258 nan 4.420 nan 0.000 0.215 319 P C 1.456 178.785 177.300 0.048 0.000 1.163 319 P CA 0.926 64.061 63.100 0.058 0.000 0.894 319 P CB 0.273 32.010 31.700 0.061 0.000 0.791 320 L N -0.588 120.651 121.223 0.028 0.000 1.997 320 L HA -0.205 4.135 4.340 -0.000 0.000 0.216 320 L C 2.215 179.089 176.870 0.007 0.000 1.074 320 L CA 2.339 57.190 54.840 0.018 0.000 0.763 320 L CB -1.576 40.485 42.059 0.004 0.000 0.890 320 L HN 0.055 nan 8.230 nan 0.000 0.434 321 S N -1.339 114.343 115.700 -0.031 0.000 2.406 321 S HA -0.183 4.287 4.470 -0.000 0.000 0.228 321 S C 1.779 176.348 174.600 -0.051 0.000 1.020 321 S CA 0.716 58.874 58.200 -0.070 0.000 0.965 321 S CB -0.019 63.096 63.200 -0.140 0.000 0.798 321 S HN 0.401 nan 8.310 nan 0.000 0.488 322 Q N 0.094 119.875 119.800 -0.031 0.000 2.135 322 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 322 Q C 2.068 178.219 176.000 0.251 0.000 0.981 322 Q CA 1.590 57.444 55.803 0.084 0.000 0.856 322 Q CB -0.248 28.579 28.738 0.148 0.000 0.902 322 Q HN 0.552 nan 8.270 nan 0.000 0.425 323 C N -0.380 119.031 119.300 0.184 0.000 2.476 323 C HA -0.035 4.425 4.460 -0.000 0.000 0.278 323 C C 2.379 177.459 174.990 0.151 0.000 1.274 323 C CA 0.308 59.450 59.018 0.208 0.000 1.713 323 C CB -0.847 26.971 27.740 0.130 0.000 2.039 323 C HN 0.542 nan 8.230 nan 0.000 0.484 324 L N -0.078 121.187 121.223 0.070 0.000 2.265 324 L HA -0.133 4.207 4.340 -0.000 0.000 0.215 324 L C 2.368 179.231 176.870 -0.012 0.000 1.117 324 L CA 1.291 56.142 54.840 0.018 0.000 0.782 324 L CB -0.736 41.311 42.059 -0.019 0.000 0.914 324 L HN 0.331 nan 8.230 nan 0.000 0.441 325 F N 0.197 120.029 119.950 -0.196 0.000 2.084 325 F HA -0.185 4.342 4.527 -0.000 0.000 0.296 325 F C 2.040 177.602 175.800 -0.397 0.000 1.111 325 F CA 1.330 59.100 58.000 -0.384 0.000 1.224 325 F CB -0.485 38.175 39.000 -0.565 0.000 0.991 325 F HN -0.048 nan 8.300 nan 0.000 0.471 326 W N 0.290 121.557 121.300 -0.055 0.000 2.388 326 W HA -0.027 4.633 4.660 -0.000 0.000 0.294 326 W C 2.606 179.029 176.519 -0.160 0.000 1.212 326 W CA 1.179 58.423 57.345 -0.169 0.000 1.271 326 W CB -0.902 28.554 29.460 -0.007 0.000 1.126 326 W HN 0.099 nan 8.180 nan 0.000 0.535 327 A N 0.255 123.133 122.820 0.097 0.000 1.940 327 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 327 A C 1.973 179.534 177.584 -0.040 0.000 1.176 327 A CA 1.363 53.423 52.037 0.038 0.000 0.631 327 A CB -0.903 18.116 19.000 0.031 0.000 0.814 327 A HN 0.357 nan 8.150 nan 0.000 0.446 328 L N -0.443 120.691 121.223 -0.149 0.000 2.005 328 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 328 L C 2.553 179.300 176.870 -0.205 0.000 1.072 328 L CA 1.566 56.284 54.840 -0.202 0.000 0.744 328 L CB -0.366 41.501 42.059 -0.320 0.000 0.895 328 L HN 0.288 nan 8.230 nan 0.000 0.433 329 V N 0.224 119.942 119.914 -0.326 0.000 2.233 329 V HA -0.344 3.776 4.120 -0.000 0.000 0.247 329 V C 2.789 178.850 176.094 -0.055 0.000 1.050 329 V CA 1.942 64.103 62.300 -0.231 0.000 1.010 329 V CB -1.053 30.647 31.823 -0.205 0.000 0.637 329 V HN 0.581 nan 8.190 nan 0.000 0.444 330 A N 0.118 122.947 122.820 0.014 0.000 1.883 330 A HA -0.342 3.978 4.320 -0.000 0.000 0.217 330 A C 2.051 179.665 177.584 0.051 0.000 1.186 330 A CA 2.398 54.462 52.037 0.045 0.000 0.624 330 A CB -0.874 18.160 19.000 0.058 0.000 0.822 330 A HN 0.651 nan 8.150 nan 0.000 0.444 331 D N -0.485 119.939 120.400 0.039 0.000 2.182 331 D HA -0.120 4.520 4.640 -0.000 0.000 0.201 331 D C 1.728 178.068 176.300 0.066 0.000 0.986 331 D CA 1.178 55.217 54.000 0.065 0.000 0.847 331 D CB -0.201 40.636 40.800 0.061 0.000 0.942 331 D HN 0.446 nan 8.370 nan 0.000 0.467 332 L N -0.344 120.888 121.223 0.014 0.000 2.109 332 L HA -0.057 4.283 4.340 -0.000 0.000 0.207 332 L C 2.254 179.149 176.870 0.041 0.000 1.086 332 L CA 0.332 55.152 54.840 -0.033 0.000 0.760 332 L CB -0.318 41.631 42.059 -0.183 0.000 0.910 332 L HN 0.197 nan 8.230 nan 0.000 0.437 333 L N -0.813 120.447 121.223 0.061 0.000 2.131 333 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 333 L C 2.298 179.286 176.870 0.196 0.000 1.092 333 L CA 1.904 56.814 54.840 0.117 0.000 0.759 333 L CB -0.705 41.404 42.059 0.083 0.000 0.903 333 L HN 0.114 nan 8.230 nan 0.000 0.435 334 T N -0.243 114.430 114.554 0.198 0.000 2.668 334 T HA -0.136 4.214 4.350 -0.000 0.000 0.262 334 T C 1.931 176.774 174.700 0.237 0.000 1.045 334 T CA 1.852 64.141 62.100 0.314 0.000 1.152 334 T CB -0.308 68.706 68.868 0.242 0.000 0.864 334 T HN 0.316 nan 8.240 nan 0.000 0.419 335 L N 0.784 122.090 121.223 0.139 0.000 2.043 335 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 335 L C 2.880 179.825 176.870 0.125 0.000 1.075 335 L CA 1.293 56.185 54.840 0.088 0.000 0.752 335 L CB -1.100 41.017 42.059 0.098 0.000 0.891 335 L HN 0.314 nan 8.230 nan 0.000 0.432 336 T N -1.250 113.433 114.554 0.215 0.000 2.674 336 T HA -0.260 4.090 4.350 -0.000 0.000 0.265 336 T C 1.307 176.142 174.700 0.226 0.000 1.039 336 T CA 1.736 63.994 62.100 0.263 0.000 1.150 336 T CB -0.465 68.590 68.868 0.312 0.000 0.864 336 T HN 0.559 nan 8.240 nan 0.000 0.427 337 W N 2.356 123.686 121.300 0.050 0.000 2.317 337 W HA -0.166 4.494 4.660 -0.000 0.000 0.318 337 W C 1.638 178.104 176.519 -0.087 0.000 1.227 337 W CA 0.718 58.056 57.345 -0.012 0.000 1.269 337 W CB -0.849 28.598 29.460 -0.021 0.000 1.155 337 W HN 0.061 nan 8.180 nan 0.000 0.484 338 I N 1.678 121.876 120.570 -0.621 0.000 2.127 338 I HA -0.207 3.963 4.170 -0.000 0.000 0.241 338 I C 2.748 178.605 176.117 -0.434 0.000 1.075 338 I CA 1.911 62.731 61.300 -0.800 0.000 1.334 338 I CB -2.115 35.557 38.000 -0.546 0.000 1.040 338 I HN 0.261 nan 8.210 nan 0.000 0.405 339 G N 0.584 109.261 108.800 -0.205 0.000 2.545 339 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.222 339 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.222 339 G C 1.667 176.569 174.900 0.004 0.000 1.126 339 G CA 1.090 46.143 45.100 -0.079 0.000 0.754 339 G HN 0.540 nan 8.290 nan 0.000 0.583 340 G N -1.148 107.642 108.800 -0.017 0.000 2.679 340 G HA2 0.201 4.161 3.960 -0.000 0.000 0.212 340 G HA3 0.201 4.161 3.960 -0.000 0.000 0.212 340 G C 0.821 175.699 174.900 -0.036 0.000 1.137 340 G CA 0.204 45.327 45.100 0.038 0.000 0.787 340 G HN 0.375 nan 8.290 nan 0.000 0.534 341 Q N 0.016 119.679 119.800 -0.229 0.000 2.241 341 Q HA 0.405 4.745 4.340 -0.000 0.000 0.262 341 Q C -2.579 173.345 176.000 -0.126 0.000 1.014 341 Q CA -2.194 53.436 55.803 -0.288 0.000 0.885 341 Q CB 1.383 29.572 28.738 -0.914 0.000 1.311 341 Q HN -0.016 nan 8.270 nan 0.000 0.461 342 P HA 0.100 nan 4.420 nan 0.000 0.274 342 P C -0.360 176.970 177.300 0.050 0.000 1.231 342 P CA -0.381 62.753 63.100 0.057 0.000 0.790 342 P CB 0.469 32.234 31.700 0.109 0.000 0.951 343 V N 2.376 122.290 119.914 0.001 0.000 2.070 343 V HA 0.035 4.155 4.120 -0.000 0.000 0.239 343 V C 0.727 176.836 176.094 0.024 0.000 1.472 343 V CA 0.919 63.209 62.300 -0.017 0.000 1.453 343 V CB -2.065 29.726 31.823 -0.053 0.000 1.503 343 V HN 0.541 nan 8.190 nan 0.000 0.501 344 E N 0.344 120.585 120.200 0.068 0.000 2.476 344 E HA 0.351 4.701 4.350 -0.000 0.000 0.246 344 E C 0.977 177.586 176.600 0.014 0.000 0.872 344 E CA -0.893 55.537 56.400 0.050 0.000 0.867 344 E CB 0.990 30.722 29.700 0.053 0.000 1.533 344 E HN 0.429 nan 8.360 nan 0.000 0.399 345 H N 1.051 120.067 119.070 -0.089 0.000 2.314 345 H HA -0.177 4.379 4.556 -0.000 0.000 0.288 345 H C -0.968 174.288 175.328 -0.121 0.000 1.091 345 H CA 3.025 59.008 56.048 -0.108 0.000 1.155 345 H CB -0.902 28.801 29.762 -0.098 0.000 1.362 345 H HN 0.245 nan 8.280 nan 0.000 0.530 346 P HA -0.115 nan 4.420 nan 0.000 0.211 346 P C 1.378 178.519 177.300 -0.265 0.000 1.191 346 P CA 1.325 64.067 63.100 -0.596 0.000 0.909 346 P CB -0.533 30.904 31.700 -0.439 0.000 0.770 347 Y N -0.260 119.905 120.300 -0.226 0.000 2.248 347 Y HA -0.264 4.286 4.550 -0.000 0.000 0.274 347 Y C 2.386 178.139 175.900 -0.244 0.000 1.277 347 Y CA 0.282 58.214 58.100 -0.280 0.000 1.140 347 Y CB -2.094 36.216 38.460 -0.249 0.000 0.934 347 Y HN -0.011 nan 8.280 nan 0.000 0.529 348 I N -0.982 119.568 120.570 -0.034 0.000 2.094 348 I HA -0.317 3.853 4.170 -0.000 0.000 0.234 348 I C 2.650 178.725 176.117 -0.070 0.000 1.063 348 I CA 2.085 63.349 61.300 -0.061 0.000 1.328 348 I CB -0.917 37.057 38.000 -0.043 0.000 1.058 348 I HN 0.252 nan 8.210 nan 0.000 0.400 349 T N 1.070 115.576 114.554 -0.080 0.000 2.737 349 T HA -0.236 4.114 4.350 -0.000 0.000 0.269 349 T C 1.945 176.619 174.700 -0.043 0.000 1.040 349 T CA 1.885 63.951 62.100 -0.058 0.000 1.142 349 T CB -0.490 68.342 68.868 -0.060 0.000 0.861 349 T HN 0.441 nan 8.240 nan 0.000 0.456 350 I N -0.044 120.496 120.570 -0.050 0.000 2.315 350 I HA 0.122 4.292 4.170 -0.000 0.000 0.248 350 I C 2.485 178.584 176.117 -0.030 0.000 1.117 350 I CA 1.767 63.058 61.300 -0.015 0.000 1.404 350 I CB -0.918 37.102 38.000 0.032 0.000 1.071 350 I HN 0.372 nan 8.210 nan 0.000 0.419 351 G N 0.114 108.863 108.800 -0.085 0.000 2.484 351 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 351 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 351 G C 1.563 176.434 174.900 -0.047 0.000 1.130 351 G CA 0.455 45.498 45.100 -0.095 0.000 0.784 351 G HN 0.526 nan 8.290 nan 0.000 0.543 352 Q N -0.695 119.083 119.800 -0.038 0.000 2.187 352 Q HA 0.199 4.539 4.340 -0.000 0.000 0.199 352 Q C 2.451 178.457 176.000 0.010 0.000 0.957 352 Q CA 0.383 56.175 55.803 -0.017 0.000 0.857 352 Q CB -0.072 28.652 28.738 -0.023 0.000 0.929 352 Q HN 0.431 nan 8.270 nan 0.000 0.453 353 L N -0.557 120.675 121.223 0.015 0.000 2.095 353 L HA -0.043 4.297 4.340 -0.000 0.000 0.204 353 L C 2.394 179.298 176.870 0.057 0.000 1.080 353 L CA 0.816 55.677 54.840 0.034 0.000 0.759 353 L CB -0.509 41.570 42.059 0.033 0.000 0.914 353 L HN 0.244 nan 8.230 nan 0.000 0.439 354 A N -0.338 122.516 122.820 0.056 0.000 1.908 354 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 354 A C 2.498 180.151 177.584 0.115 0.000 1.181 354 A CA 2.103 54.188 52.037 0.079 0.000 0.627 354 A CB -0.590 18.449 19.000 0.065 0.000 0.818 354 A HN 0.378 nan 8.150 nan 0.000 0.445 355 S N -0.407 115.355 115.700 0.104 0.000 2.359 355 S HA -0.178 4.292 4.470 -0.000 0.000 0.222 355 S C 1.944 176.718 174.600 0.290 0.000 1.038 355 S CA 1.615 59.927 58.200 0.185 0.000 1.051 355 S CB -0.724 62.551 63.200 0.125 0.000 0.944 355 S HN 0.354 nan 8.310 nan 0.000 0.433 356 V N 2.098 122.115 119.914 0.171 0.000 2.252 356 V HA -0.203 3.917 4.120 -0.000 0.000 0.249 356 V C 2.294 178.483 176.094 0.158 0.000 1.056 356 V CA 1.861 64.249 62.300 0.146 0.000 1.022 356 V CB -0.791 31.072 31.823 0.067 0.000 0.641 356 V HN 0.320 nan 8.190 nan 0.000 0.445 357 L N -0.606 120.690 121.223 0.122 0.000 1.963 357 L HA -0.265 4.075 4.340 -0.000 0.000 0.220 357 L C 2.246 179.168 176.870 0.087 0.000 1.076 357 L CA 2.565 57.457 54.840 0.088 0.000 0.772 357 L CB -1.160 40.945 42.059 0.077 0.000 0.892 357 L HN 0.476 nan 8.230 nan 0.000 0.435 358 Y N -0.452 119.836 120.300 -0.021 0.000 1.967 358 Y HA -0.421 4.129 4.550 -0.000 0.000 0.260 358 Y C 2.333 178.112 175.900 -0.202 0.000 1.181 358 Y CA 2.653 60.667 58.100 -0.143 0.000 1.097 358 Y CB -0.956 37.386 38.460 -0.196 0.000 0.934 358 Y HN 0.252 nan 8.280 nan 0.000 0.492 359 F N -0.602 119.370 119.950 0.035 0.000 2.171 359 F HA -0.209 4.318 4.527 -0.000 0.000 0.300 359 F C 2.355 178.065 175.800 -0.149 0.000 1.090 359 F CA 1.531 59.456 58.000 -0.125 0.000 1.293 359 F CB -0.767 38.158 39.000 -0.125 0.000 1.013 359 F HN 0.223 nan 8.300 nan 0.000 0.486 360 L N -0.786 120.480 121.223 0.072 0.000 2.109 360 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 360 L C 2.162 179.004 176.870 -0.047 0.000 1.086 360 L CA 1.080 55.926 54.840 0.011 0.000 0.760 360 L CB -0.431 41.642 42.059 0.023 0.000 0.910 360 L HN 0.079 nan 8.230 nan 0.000 0.437 361 L N 0.285 121.457 121.223 -0.085 0.000 1.976 361 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 361 L C 2.343 179.111 176.870 -0.169 0.000 1.071 361 L CA 2.053 56.820 54.840 -0.121 0.000 0.746 361 L CB -0.629 41.347 42.059 -0.138 0.000 0.890 361 L HN 0.279 nan 8.230 nan 0.000 0.432 362 I N -1.442 118.964 120.570 -0.274 0.000 2.315 362 I HA -0.271 3.899 4.170 -0.000 0.000 0.248 362 I C 2.091 178.114 176.117 -0.157 0.000 1.117 362 I CA 0.854 61.990 61.300 -0.273 0.000 1.404 362 I CB -0.152 37.584 38.000 -0.440 0.000 1.071 362 I HN 0.245 nan 8.210 nan 0.000 0.419 363 L N -0.916 120.240 121.223 -0.110 0.000 2.375 363 L HA 0.036 4.376 4.340 -0.000 0.000 0.215 363 L C 1.696 178.547 176.870 -0.032 0.000 1.108 363 L CA 1.126 55.942 54.840 -0.040 0.000 0.830 363 L CB 0.448 42.506 42.059 -0.001 0.000 0.959 363 L HN -0.026 nan 8.230 nan 0.000 0.457 364 V N -2.872 117.015 119.914 -0.044 0.000 3.165 364 V HA 0.045 4.165 4.120 -0.000 0.000 0.231 364 V C 1.669 177.738 176.094 -0.042 0.000 1.365 364 V CA 0.103 62.384 62.300 -0.033 0.000 1.286 364 V CB 0.439 32.250 31.823 -0.019 0.000 1.081 364 V HN 0.039 nan 8.190 nan 0.000 0.477 365 L N -0.306 120.887 121.223 -0.050 0.000 1.988 365 L HA -0.030 4.310 4.340 -0.000 0.000 0.207 365 L C 2.323 179.156 176.870 -0.061 0.000 1.071 365 L CA 2.288 57.099 54.840 -0.048 0.000 0.744 365 L CB -0.784 41.249 42.059 -0.044 0.000 0.893 365 L HN 0.247 nan 8.230 nan 0.000 0.433 366 M N -0.993 118.556 119.600 -0.084 0.000 2.086 366 M HA -0.157 4.323 4.480 -0.000 0.000 0.261 366 M C -0.379 175.859 176.300 -0.104 0.000 1.067 366 M CA 2.100 57.341 55.300 -0.098 0.000 1.116 366 M CB -1.112 31.414 32.600 -0.123 0.000 1.348 366 M HN 0.100 nan 8.290 nan 0.000 0.407 367 P HA -0.104 nan 4.420 nan 0.000 0.216 367 P C 1.202 178.459 177.300 -0.072 0.000 1.150 367 P CA 1.357 64.403 63.100 -0.090 0.000 0.837 367 P CB -0.153 31.509 31.700 -0.064 0.000 0.786 368 T N -0.821 113.699 114.554 -0.055 0.000 2.851 368 T HA -0.008 4.341 4.350 -0.000 0.000 0.262 368 T C 1.895 176.571 174.700 -0.040 0.000 1.043 368 T CA 1.272 63.349 62.100 -0.040 0.000 1.140 368 T CB -0.872 67.980 68.868 -0.028 0.000 0.872 368 T HN -0.001 nan 8.240 nan 0.000 0.446 369 A N 1.408 124.201 122.820 -0.046 0.000 1.958 369 A HA -0.038 4.282 4.320 -0.000 0.000 0.221 369 A C 2.510 180.065 177.584 -0.049 0.000 1.178 369 A CA 2.130 54.142 52.037 -0.041 0.000 0.642 369 A CB -1.380 17.591 19.000 -0.048 0.000 0.816 369 A HN 0.522 nan 8.150 nan 0.000 0.453 370 G N -1.410 107.343 108.800 -0.079 0.000 2.433 370 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.216 370 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.216 370 G C 1.593 176.461 174.900 -0.053 0.000 1.186 370 G CA 1.600 46.641 45.100 -0.098 0.000 0.779 370 G HN 0.424 nan 8.290 nan 0.000 0.543 371 T N 1.338 115.865 114.554 -0.045 0.000 2.720 371 T HA -0.076 4.274 4.350 -0.000 0.000 0.268 371 T C 2.394 177.098 174.700 0.006 0.000 1.037 371 T CA 1.064 63.154 62.100 -0.016 0.000 1.144 371 T CB -0.182 68.675 68.868 -0.018 0.000 0.864 371 T HN 0.227 nan 8.240 nan 0.000 0.444 372 I N 0.885 121.454 120.570 -0.001 0.000 2.286 372 I HA -0.170 4.000 4.170 -0.000 0.000 0.248 372 I C 2.540 178.670 176.117 0.021 0.000 1.115 372 I CA 1.362 62.667 61.300 0.008 0.000 1.392 372 I CB -0.339 37.661 38.000 0.001 0.000 1.065 372 I HN 0.340 nan 8.210 nan 0.000 0.418 373 E N 0.547 120.761 120.200 0.023 0.000 2.110 373 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 373 E C 1.864 178.518 176.600 0.090 0.000 0.988 373 E CA 1.027 57.454 56.400 0.044 0.000 0.804 373 E CB -0.139 29.586 29.700 0.042 0.000 0.745 373 E HN 0.468 nan 8.360 nan 0.000 0.458 374 N N 1.255 120.021 118.700 0.111 0.000 2.025 374 N HA -0.157 4.583 4.740 -0.000 0.000 0.194 374 N C 1.559 177.160 175.510 0.151 0.000 1.044 374 N CA 1.077 54.246 53.050 0.198 0.000 0.851 374 N CB -0.208 38.365 38.487 0.143 0.000 1.036 374 N HN 0.087 nan 8.380 nan 0.000 0.422 375 K N 0.664 121.114 120.400 0.083 0.000 2.113 375 K HA -0.095 4.225 4.320 -0.000 0.000 0.208 375 K C 2.143 178.758 176.600 0.024 0.000 1.047 375 K CA 0.760 57.078 56.287 0.051 0.000 0.928 375 K CB -0.353 32.165 32.500 0.031 0.000 0.716 375 K HN 0.193 nan 8.250 nan 0.000 0.446 376 L N 0.656 121.889 121.223 0.016 0.000 2.056 376 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 376 L C 2.275 179.114 176.870 -0.051 0.000 1.078 376 L CA 0.935 55.768 54.840 -0.012 0.000 0.749 376 L CB -0.234 41.821 42.059 -0.007 0.000 0.901 376 L HN 0.152 nan 8.230 nan 0.000 0.433 377 L N -0.599 120.583 121.223 -0.068 0.000 2.465 377 L HA -0.104 4.236 4.340 -0.000 0.000 0.224 377 L C 0.820 177.529 176.870 -0.268 0.000 1.145 377 L CA 0.586 55.298 54.840 -0.215 0.000 0.834 377 L CB -0.064 41.794 42.059 -0.336 0.000 0.944 377 L HN 0.305 nan 8.230 nan 0.000 0.451 378 K N -3.060 117.274 120.400 -0.110 0.000 3.399 378 K HA -0.177 4.143 4.320 -0.000 0.000 0.298 378 K C -0.274 176.341 176.600 0.024 0.000 1.326 378 K CA 0.227 56.475 56.287 -0.065 0.000 0.874 378 K CB -1.498 30.936 32.500 -0.109 0.000 1.403 378 K HN 0.177 nan 8.250 nan 0.000 0.492 379 W N 0.000 121.291 121.300 -0.015 0.000 2.388 379 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 379 W CA 0.000 57.336 57.345 -0.014 0.000 1.226 379 W CB 0.000 29.451 29.460 -0.015 0.000 1.126 379 W HN 0.000 nan 8.180 nan 0.000 0.535