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 1xgz_1_A DATA FIRST_RESID 2 DATA SEQUENCE YSPNTQQGRT SIVHLFEWRW VDIALEcERY LAPKGFGGVQ VSPPNENVAI DATA SEQUENCE YNPFRPWWER YQPVSYKLcT RSGNEDEFRN MVTRcNNVGV RIYVDAVINH DATA SEQUENCE MCGNAVSAGT SSTcGSYFNP GSRDFPAVPY SGWDFNDGKc KTGSGDIENY DATA SEQUENCE NDATQVRDcR LTGLLDLALE KDYVRSKIAE YMNHLIDIGV AGFRLDASKH DATA SEQUENCE MWPGDIKAIL DKLHNLNSNW FPAGSKPFIY QEVIDLGGEP IKSSDYFGNG DATA SEQUENCE RVTEFKYGAK LGTVIRKWNG EKMSYLKNWG EGWGFVPSDR ALVFVDSHDN DATA SEQUENCE QRGHGAGGAS ILTFWDARLY KMAVGFMLAH PYGFTRVMSS YRWPRQFQNG DATA SEQUENCE NDVNDWVGPP NNNGVIKEVT INPDTTcGND WVcEHRWRQI RNMVIFRNVV DATA SEQUENCE DGQPFTNWYD NGSNQVAFGR GNRGFIVFNN DDWSFSLTLQ TGLPAGTYcD DATA SEQUENCE VISGDKINGN cTGIKIYVSD DGKAHFSISN SAEDPFIAIH AESKL 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 Y HA 0.000 nan 4.550 nan 0.000 0.201 2 Y C 0.000 175.980 175.900 0.133 0.000 1.272 2 Y CA 0.000 58.195 58.100 0.159 0.000 1.940 2 Y CB 0.000 38.486 38.460 0.043 0.000 1.050 3 S N 3.777 119.571 115.700 0.157 0.000 2.499 3 S HA 0.257 4.727 4.470 -0.001 0.000 0.279 3 S C -1.917 172.430 174.600 -0.423 0.000 1.219 3 S CA -0.867 57.258 58.200 -0.124 0.000 1.062 3 S CB 1.490 64.659 63.200 -0.051 0.000 0.978 3 S HN -0.035 nan 8.310 nan 0.000 0.489 4 P HA -0.004 nan 4.420 nan 0.000 0.223 4 P C 0.068 177.126 177.300 -0.404 0.000 1.151 4 P CA 0.529 62.718 63.100 -1.518 0.000 0.787 4 P CB -0.001 30.687 31.700 -1.687 0.000 0.788 5 N N -2.579 116.003 118.700 -0.197 0.000 2.782 5 N HA -0.106 4.634 4.740 -0.001 0.000 0.251 5 N C -0.056 175.523 175.510 0.116 0.000 1.101 5 N CA 1.469 54.539 53.050 0.034 0.000 0.764 5 N CB -2.329 36.203 38.487 0.075 0.000 1.122 5 N HN 0.320 nan 8.380 nan 0.000 0.561 6 T N -2.371 112.206 114.554 0.038 0.000 2.788 6 T HA 0.244 4.594 4.350 -0.001 0.000 0.287 6 T C 0.538 175.270 174.700 0.053 0.000 1.007 6 T CA -0.419 61.733 62.100 0.086 0.000 1.005 6 T CB 1.758 70.692 68.868 0.111 0.000 1.012 6 T HN 0.184 nan 8.240 nan 0.000 0.530 7 Q N 0.804 120.626 119.800 0.037 0.000 2.352 7 Q HA 0.073 4.413 4.340 -0.001 0.000 0.260 7 Q C -0.004 176.004 176.000 0.012 0.000 0.976 7 Q CA -0.635 55.175 55.803 0.012 0.000 0.881 7 Q CB 0.494 29.229 28.738 -0.006 0.000 1.235 7 Q HN 0.498 nan 8.270 nan 0.000 0.419 8 Q N 1.239 121.042 119.800 0.005 0.000 2.283 8 Q HA 0.016 4.356 4.340 -0.001 0.000 0.301 8 Q C 0.713 176.710 176.000 -0.005 0.000 1.063 8 Q CA 1.476 57.280 55.803 0.001 0.000 0.952 8 Q CB 0.535 29.272 28.738 -0.002 0.000 1.166 8 Q HN 1.030 nan 8.270 nan 0.000 0.381 9 G N 3.115 111.911 108.800 -0.008 0.000 2.175 9 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.244 9 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.244 9 G C 0.040 174.922 174.900 -0.030 0.000 0.982 9 G CA -0.053 45.033 45.100 -0.023 0.000 0.641 9 G HN 0.485 nan 8.290 nan 0.000 0.527 10 R N 0.416 120.911 120.500 -0.008 0.000 2.393 10 R HA 0.557 4.897 4.340 -0.001 0.000 0.315 10 R C 0.909 177.221 176.300 0.020 0.000 0.952 10 R CA 0.180 56.274 56.100 -0.011 0.000 0.842 10 R CB 1.176 31.488 30.300 0.019 0.000 1.163 10 R HN 0.296 nan 8.270 nan 0.000 0.450 11 T N -2.573 111.949 114.554 -0.054 0.000 3.084 11 T HA 0.253 4.603 4.350 -0.001 0.000 0.270 11 T C 0.337 174.774 174.700 -0.437 0.000 1.008 11 T CA -0.236 61.805 62.100 -0.099 0.000 0.900 11 T CB 0.408 69.209 68.868 -0.112 0.000 1.084 11 T HN 0.263 nan 8.240 nan 0.000 0.538 12 S N 1.250 116.753 115.700 -0.329 0.000 2.588 12 S HA 0.791 5.261 4.470 -0.001 0.000 0.275 12 S C -0.835 173.702 174.600 -0.104 0.000 1.130 12 S CA -1.080 56.857 58.200 -0.438 0.000 0.855 12 S CB 1.802 64.818 63.200 -0.307 0.000 1.116 12 S HN 0.591 nan 8.310 nan 0.000 0.472 13 I N -1.051 119.481 120.570 -0.064 0.000 2.846 13 I HA 0.921 5.090 4.170 -0.001 0.000 0.307 13 I C -1.030 175.158 176.117 0.119 0.000 1.053 13 I CA -1.074 60.307 61.300 0.135 0.000 1.050 13 I CB 1.808 39.913 38.000 0.175 0.000 1.239 13 I HN 0.447 nan 8.210 nan 0.000 0.439 14 V N 3.420 123.412 119.914 0.131 0.000 2.604 14 V HA 0.425 4.545 4.120 -0.001 0.000 0.305 14 V C -1.093 175.020 176.094 0.032 0.000 1.043 14 V CA -0.343 61.986 62.300 0.047 0.000 0.888 14 V CB 1.618 33.377 31.823 -0.108 0.000 0.995 14 V HN 0.881 nan 8.190 nan 0.000 0.429 15 H N 6.770 125.795 119.070 -0.074 0.000 2.820 15 H HA 0.409 4.965 4.556 -0.001 0.000 0.278 15 H C -0.378 174.870 175.328 -0.133 0.000 1.142 15 H CA -0.536 55.488 56.048 -0.040 0.000 1.346 15 H CB 0.423 30.190 29.762 0.009 0.000 1.438 15 H HN 0.620 nan 8.280 nan 0.000 0.473 16 L N 6.994 128.088 121.223 -0.214 0.000 2.423 16 L HA 0.091 4.431 4.340 -0.001 0.000 0.249 16 L C 0.088 176.801 176.870 -0.263 0.000 1.276 16 L CA -0.633 53.776 54.840 -0.718 0.000 1.199 16 L CB -0.718 40.630 42.059 -1.185 0.000 1.407 16 L HN 0.464 nan 8.230 nan 0.000 0.410 17 F N 4.395 124.067 119.950 -0.463 0.000 2.539 17 F HA -0.044 4.483 4.527 -0.001 0.000 0.393 17 F C 1.350 177.357 175.800 0.346 0.000 1.032 17 F CA 0.261 58.080 58.000 -0.301 0.000 1.120 17 F CB -0.191 38.521 39.000 -0.480 0.000 1.014 17 F HN 0.520 nan 8.300 nan 0.000 0.546 18 E N 2.353 122.590 120.200 0.063 0.000 3.801 18 E HA -0.300 4.050 4.350 -0.001 0.000 0.319 18 E C -0.473 176.252 176.600 0.209 0.000 0.784 18 E CA 0.896 57.310 56.400 0.023 0.000 1.183 18 E CB -1.712 27.865 29.700 -0.206 0.000 1.601 18 E HN 0.627 nan 8.360 nan 0.000 0.441 19 W N 1.716 122.959 121.300 -0.094 0.000 2.137 19 W HA 0.193 4.853 4.660 -0.001 0.000 0.344 19 W C 1.494 177.843 176.519 -0.285 0.000 1.286 19 W CA 0.051 57.225 57.345 -0.284 0.000 1.240 19 W CB 0.259 29.554 29.460 -0.275 0.000 1.141 19 W HN -0.088 nan 8.180 nan 0.000 0.579 20 R N 1.691 122.108 120.500 -0.139 0.000 2.582 20 R HA 0.109 4.449 4.340 -0.001 0.000 0.271 20 R C 1.018 177.334 176.300 0.027 0.000 1.078 20 R CA -0.369 55.578 56.100 -0.255 0.000 1.127 20 R CB 0.535 30.715 30.300 -0.200 0.000 1.038 20 R HN 0.685 nan 8.270 nan 0.000 0.500 21 W N 0.506 121.860 121.300 0.091 0.000 2.338 21 W HA -0.214 4.445 4.660 -0.001 0.000 0.304 21 W C 1.956 178.494 176.519 0.032 0.000 1.212 21 W CA 0.165 57.555 57.345 0.075 0.000 1.264 21 W CB -0.339 29.186 29.460 0.108 0.000 1.142 21 W HN 0.425 nan 8.180 nan 0.000 0.512 22 V N 1.170 121.224 119.914 0.235 0.000 2.392 22 V HA -0.275 3.845 4.120 -0.001 0.000 0.249 22 V C 1.727 177.871 176.094 0.083 0.000 1.059 22 V CA 2.363 64.737 62.300 0.123 0.000 1.051 22 V CB -0.520 31.344 31.823 0.067 0.000 0.658 22 V HN 0.082 nan 8.190 nan 0.000 0.455 23 D N -0.239 120.198 120.400 0.060 0.000 2.149 23 D HA -0.052 4.588 4.640 -0.001 0.000 0.201 23 D C 2.062 178.490 176.300 0.213 0.000 0.972 23 D CA 1.563 55.585 54.000 0.036 0.000 0.835 23 D CB -0.041 40.648 40.800 -0.185 0.000 0.966 23 D HN 0.498 nan 8.370 nan 0.000 0.476 24 I N 1.268 122.001 120.570 0.272 0.000 2.252 24 I HA -0.210 3.960 4.170 -0.001 0.000 0.245 24 I C 2.542 178.711 176.117 0.087 0.000 1.102 24 I CA 0.695 62.116 61.300 0.201 0.000 1.385 24 I CB -0.203 37.913 38.000 0.192 0.000 1.064 24 I HN -0.100 nan 8.210 nan 0.000 0.414 25 A N 1.242 124.108 122.820 0.077 0.000 1.883 25 A HA -0.195 4.125 4.320 -0.001 0.000 0.217 25 A C 2.317 179.920 177.584 0.031 0.000 1.186 25 A CA 1.549 53.598 52.037 0.020 0.000 0.624 25 A CB -0.899 18.116 19.000 0.024 0.000 0.822 25 A HN 0.365 nan 8.150 nan 0.000 0.444 26 L N -1.195 120.061 121.223 0.056 0.000 2.017 26 L HA -0.207 4.133 4.340 -0.001 0.000 0.208 26 L C 2.700 179.618 176.870 0.080 0.000 1.073 26 L CA 1.838 56.712 54.840 0.057 0.000 0.745 26 L CB -0.479 41.610 42.059 0.050 0.000 0.894 26 L HN 0.465 nan 8.230 nan 0.000 0.432 27 E N -0.405 119.865 120.200 0.118 0.000 2.118 27 E HA -0.224 4.125 4.350 -0.001 0.000 0.195 27 E C 2.236 178.886 176.600 0.084 0.000 0.992 27 E CA 1.514 57.998 56.400 0.139 0.000 0.804 27 E CB -0.239 29.561 29.700 0.167 0.000 0.741 27 E HN 0.446 nan 8.360 nan 0.000 0.458 28 c N 0.479 119.094 118.600 0.026 0.000 2.429 28 c HA -0.105 4.465 4.570 -0.001 0.000 0.277 28 c C 2.331 176.431 174.090 0.018 0.000 1.262 28 c CA 1.203 57.529 56.329 -0.005 0.000 1.733 28 c CB -0.868 41.613 42.510 -0.048 0.000 2.010 28 c HN 0.539 nan 8.230 nan 0.000 0.483 29 E N 0.479 120.695 120.200 0.027 0.000 2.076 29 E HA -0.148 4.202 4.350 -0.001 0.000 0.190 29 E C 2.340 178.971 176.600 0.052 0.000 0.979 29 E CA 0.870 57.288 56.400 0.029 0.000 0.807 29 E CB -0.260 29.454 29.700 0.023 0.000 0.761 29 E HN 0.700 nan 8.360 nan 0.000 0.454 30 R N -0.814 119.736 120.500 0.084 0.000 2.246 30 R HA -0.014 4.326 4.340 -0.001 0.000 0.199 30 R C 1.215 177.626 176.300 0.185 0.000 0.984 30 R CA 1.010 57.178 56.100 0.113 0.000 1.015 30 R CB 0.059 30.427 30.300 0.113 0.000 0.930 30 R HN 0.238 nan 8.270 nan 0.000 0.475 31 Y N 0.018 120.339 120.300 0.035 0.000 3.087 31 Y HA 0.261 4.811 4.550 -0.000 0.000 0.227 31 Y C 1.769 177.698 175.900 0.050 0.000 1.015 31 Y CA -0.241 57.886 58.100 0.044 0.000 1.399 31 Y CB 0.181 38.663 38.460 0.037 0.000 1.483 31 Y HN -0.160 nan 8.280 nan 0.000 0.420 32 L N 0.574 121.866 121.223 0.115 0.000 2.013 32 L HA -0.244 4.096 4.340 -0.001 0.000 0.212 32 L C 2.620 179.550 176.870 0.100 0.000 1.073 32 L CA 1.754 56.608 54.840 0.025 0.000 0.753 32 L CB -0.940 41.090 42.059 -0.047 0.000 0.890 32 L HN 0.402 nan 8.230 nan 0.000 0.432 33 A N 0.229 123.075 122.820 0.044 0.000 1.855 33 A HA -0.093 4.227 4.320 -0.001 0.000 0.215 33 A C 0.131 177.723 177.584 0.014 0.000 1.191 33 A CA 1.495 53.550 52.037 0.031 0.000 0.613 33 A CB -1.827 17.178 19.000 0.008 0.000 0.829 33 A HN 0.285 nan 8.150 nan 0.000 0.442 34 P HA -0.120 nan 4.420 nan 0.000 0.218 34 P C 0.800 178.063 177.300 -0.061 0.000 1.148 34 P CA 1.317 64.394 63.100 -0.038 0.000 0.822 34 P CB 0.017 31.690 31.700 -0.045 0.000 0.784 35 K N -1.563 118.780 120.400 -0.095 0.000 2.458 35 K HA 0.308 4.627 4.320 -0.001 0.000 0.194 35 K C 1.128 177.725 176.600 -0.006 0.000 1.024 35 K CA 0.569 56.812 56.287 -0.074 0.000 1.108 35 K CB -0.869 31.506 32.500 -0.208 0.000 0.846 35 K HN 0.115 nan 8.250 nan 0.000 0.518 36 G N 0.476 109.289 108.800 0.021 0.000 2.147 36 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.244 36 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.244 36 G C -0.237 174.622 174.900 -0.069 0.000 1.005 36 G CA -0.354 44.723 45.100 -0.039 0.000 0.713 36 G HN 0.191 nan 8.290 nan 0.000 0.515 37 F N 0.415 120.346 119.950 -0.031 0.000 2.429 37 F HA 0.512 5.039 4.527 -0.001 0.000 0.348 37 F C 1.802 177.606 175.800 0.007 0.000 1.109 37 F CA 0.796 58.793 58.000 -0.005 0.000 1.232 37 F CB 1.364 40.375 39.000 0.017 0.000 1.157 37 F HN -0.005 nan 8.300 nan 0.000 0.564 38 G N 1.321 110.222 108.800 0.168 0.000 2.430 38 G HA2 0.394 4.354 3.960 -0.001 0.000 0.216 38 G HA3 0.394 4.354 3.960 -0.001 0.000 0.216 38 G C 0.492 175.521 174.900 0.215 0.000 1.146 38 G CA 0.682 45.882 45.100 0.166 0.000 0.793 38 G HN 1.015 nan 8.290 nan 0.000 0.537 39 G N -2.058 106.901 108.800 0.266 0.000 2.488 39 G HA2 0.464 4.423 3.960 -0.001 0.000 0.301 39 G HA3 0.464 4.423 3.960 -0.001 0.000 0.301 39 G C -2.194 172.842 174.900 0.226 0.000 1.339 39 G CA -0.240 45.022 45.100 0.269 0.000 0.803 39 G HN 0.479 nan 8.290 nan 0.000 0.482 40 V N 0.302 120.326 119.914 0.184 0.000 2.638 40 V HA 0.580 4.700 4.120 -0.001 0.000 0.306 40 V C -0.243 175.994 176.094 0.237 0.000 1.052 40 V CA -0.676 61.692 62.300 0.114 0.000 0.885 40 V CB 1.680 33.477 31.823 -0.044 0.000 0.999 40 V HN 0.867 nan 8.190 nan 0.000 0.424 41 Q N 3.335 123.286 119.800 0.252 0.000 2.303 41 Q HA 0.645 4.985 4.340 -0.001 0.000 0.257 41 Q C -0.696 175.486 176.000 0.304 0.000 0.941 41 Q CA -0.460 55.516 55.803 0.287 0.000 0.931 41 Q CB 1.845 30.691 28.738 0.181 0.000 1.215 41 Q HN 0.813 nan 8.270 nan 0.000 0.437 42 V N 1.118 121.204 119.914 0.287 0.000 2.834 42 V HA 0.610 4.730 4.120 -0.001 0.000 0.313 42 V C 0.065 176.433 176.094 0.456 0.000 1.060 42 V CA -0.807 61.734 62.300 0.402 0.000 0.989 42 V CB 1.682 33.734 31.823 0.382 0.000 1.041 42 V HN 0.777 nan 8.190 nan 0.000 0.459 43 S N 2.669 118.697 115.700 0.546 0.000 2.600 43 S HA 0.361 4.831 4.470 -0.001 0.000 0.265 43 S C -2.399 172.432 174.600 0.385 0.000 1.325 43 S CA -0.414 58.051 58.200 0.443 0.000 1.002 43 S CB 0.238 63.647 63.200 0.348 0.000 0.921 43 S HN 0.843 nan 8.310 nan 0.000 0.554 44 P HA 0.030 nan 4.420 nan 0.000 0.258 44 P C -1.882 175.565 177.300 0.244 0.000 1.172 44 P CA -0.599 62.587 63.100 0.144 0.000 0.762 44 P CB 0.086 31.737 31.700 -0.082 0.000 0.764 45 P HA -0.032 nan 4.420 nan 0.000 0.255 45 P C -0.297 177.084 177.300 0.136 0.000 1.248 45 P CA 0.521 63.772 63.100 0.252 0.000 0.807 45 P CB 0.269 31.824 31.700 -0.242 0.000 1.150 46 N N 0.519 119.289 118.700 0.117 0.000 2.508 46 N HA 0.066 4.806 4.740 -0.001 0.000 0.285 46 N C -0.219 175.273 175.510 -0.030 0.000 1.144 46 N CA -0.508 52.556 53.050 0.024 0.000 0.978 46 N CB 1.397 39.834 38.487 -0.084 0.000 1.180 46 N HN -0.041 nan 8.380 nan 0.000 0.484 47 E N 0.548 120.710 120.200 -0.064 0.000 2.529 47 E HA -0.094 4.255 4.350 -0.001 0.000 0.259 47 E C -0.384 176.135 176.600 -0.136 0.000 0.966 47 E CA 0.022 56.372 56.400 -0.083 0.000 0.937 47 E CB 0.290 29.941 29.700 -0.081 0.000 0.923 47 E HN 0.736 nan 8.360 nan 0.000 0.468 48 N N 1.972 120.593 118.700 -0.131 0.000 2.577 48 N HA 0.255 4.995 4.740 -0.001 0.000 0.285 48 N C -0.893 174.502 175.510 -0.192 0.000 1.309 48 N CA -0.764 52.190 53.050 -0.160 0.000 0.798 48 N CB 1.005 39.418 38.487 -0.123 0.000 1.463 48 N HN 0.185 nan 8.380 nan 0.000 0.518 49 V N 0.236 120.025 119.914 -0.207 0.000 2.637 49 V HA 0.340 4.459 4.120 -0.001 0.000 0.296 49 V C 0.603 176.619 176.094 -0.129 0.000 1.046 49 V CA -0.537 61.652 62.300 -0.185 0.000 1.066 49 V CB 0.642 32.396 31.823 -0.114 0.000 0.968 49 V HN 0.844 nan 8.190 nan 0.000 0.483 50 A N 6.539 129.303 122.820 -0.093 0.000 2.316 50 A HA 0.667 4.987 4.320 -0.001 0.000 0.311 50 A C -0.539 176.859 177.584 -0.309 0.000 1.339 50 A CA -0.319 51.568 52.037 -0.250 0.000 0.960 50 A CB -0.334 18.560 19.000 -0.176 0.000 1.152 50 A HN 0.652 nan 8.150 nan 0.000 0.547 51 I N 2.211 122.534 120.570 -0.412 0.000 2.331 51 I HA 0.267 4.436 4.170 -0.001 0.000 0.292 51 I C 0.125 175.932 176.117 -0.515 0.000 0.998 51 I CA 0.283 61.396 61.300 -0.311 0.000 1.267 51 I CB 0.982 38.822 38.000 -0.267 0.000 1.386 51 I HN 0.679 nan 8.210 nan 0.000 0.476 52 Y N 3.021 123.277 120.300 -0.074 0.000 2.444 52 Y HA 0.274 4.823 4.550 -0.001 0.000 0.249 52 Y C 0.660 176.567 175.900 0.012 0.000 1.134 52 Y CA -0.289 57.808 58.100 -0.005 0.000 1.261 52 Y CB 0.316 38.815 38.460 0.066 0.000 1.143 52 Y HN 0.540 nan 8.280 nan 0.000 0.523 53 N N 1.477 120.203 118.700 0.045 0.000 2.607 53 N HA 0.229 4.968 4.740 -0.001 0.000 0.271 53 N C -2.913 172.528 175.510 -0.114 0.000 1.142 53 N CA -1.796 51.236 53.050 -0.030 0.000 0.810 53 N CB 1.153 39.651 38.487 0.020 0.000 1.306 53 N HN -0.157 nan 8.380 nan 0.000 0.536 54 P HA 0.141 nan 4.420 nan 0.000 0.273 54 P C -0.487 176.631 177.300 -0.304 0.000 1.250 54 P CA -0.357 62.397 63.100 -0.577 0.000 0.793 54 P CB 0.582 31.404 31.700 -1.463 0.000 1.011 55 F N 2.636 122.428 119.950 -0.264 0.000 2.487 55 F HA 0.093 4.620 4.527 -0.001 0.000 0.364 55 F C 0.742 176.533 175.800 -0.015 0.000 1.126 55 F CA -0.174 57.808 58.000 -0.030 0.000 1.135 55 F CB -0.271 38.798 39.000 0.116 0.000 1.127 55 F HN 0.225 nan 8.300 nan 0.000 0.559 56 R N 3.684 123.735 120.500 -0.749 0.000 3.092 56 R HA -0.163 4.176 4.340 -0.001 0.000 0.245 56 R C -2.608 173.445 176.300 -0.412 0.000 0.881 56 R CA 0.266 55.938 56.100 -0.714 0.000 0.614 56 R CB -2.404 27.336 30.300 -0.933 0.000 1.128 56 R HN 0.417 nan 8.270 nan 0.000 0.483 57 P HA -0.043 nan 4.420 nan 0.000 0.272 57 P C 1.503 178.501 177.300 -0.503 0.000 1.230 57 P CA -0.457 62.324 63.100 -0.532 0.000 0.788 57 P CB 0.259 31.103 31.700 -1.427 0.000 0.949 58 W N 3.171 124.345 121.300 -0.210 0.000 2.363 58 W HA -0.118 4.541 4.660 -0.001 0.000 0.296 58 W C 1.623 178.261 176.519 0.199 0.000 1.212 58 W CA 0.859 58.227 57.345 0.039 0.000 1.260 58 W CB -1.805 27.842 29.460 0.311 0.000 1.131 58 W HN 0.462 nan 8.180 nan 0.000 0.530 59 W N 3.407 124.251 121.300 -0.760 0.000 2.961 59 W HA 0.036 4.696 4.660 -0.000 0.000 0.240 59 W C 1.491 177.937 176.519 -0.121 0.000 1.305 59 W CA 0.864 57.852 57.345 -0.596 0.000 1.465 59 W CB -1.410 27.361 29.460 -1.148 0.000 1.135 59 W HN 0.227 nan 8.180 nan 0.000 0.688 60 E N 1.697 121.835 120.200 -0.104 0.000 2.347 60 E HA -0.127 4.223 4.350 -0.001 0.000 0.196 60 E C 1.789 178.393 176.600 0.008 0.000 1.008 60 E CA 0.600 56.977 56.400 -0.037 0.000 0.852 60 E CB -0.476 29.065 29.700 -0.265 0.000 0.783 60 E HN 0.249 nan 8.360 nan 0.000 0.505 61 R N -0.326 120.180 120.500 0.010 0.000 2.307 61 R HA -0.002 4.338 4.340 -0.001 0.000 0.199 61 R C 0.324 176.442 176.300 -0.304 0.000 1.000 61 R CA 0.581 56.600 56.100 -0.134 0.000 1.023 61 R CB 0.007 30.216 30.300 -0.152 0.000 0.908 61 R HN 0.305 nan 8.270 nan 0.000 0.473 62 Y N 0.374 120.790 120.300 0.194 0.000 2.658 62 Y HA 0.224 4.774 4.550 -0.000 0.000 0.276 62 Y C 0.088 176.136 175.900 0.247 0.000 1.167 62 Y CA -0.094 58.153 58.100 0.246 0.000 1.230 62 Y CB 0.608 39.255 38.460 0.311 0.000 1.144 62 Y HN -0.112 nan 8.280 nan 0.000 0.529 63 Q N 1.107 121.013 119.800 0.178 0.000 2.932 63 Q HA 0.284 4.624 4.340 -0.001 0.000 0.248 63 Q C -2.769 173.224 176.000 -0.011 0.000 0.982 63 Q CA -2.041 53.844 55.803 0.136 0.000 0.730 63 Q CB 1.537 30.349 28.738 0.122 0.000 1.249 63 Q HN 0.070 nan 8.270 nan 0.000 0.476 64 P HA -0.032 nan 4.420 nan 0.000 0.269 64 P C 0.124 177.298 177.300 -0.210 0.000 1.209 64 P CA 0.080 63.078 63.100 -0.169 0.000 0.776 64 P CB 1.238 32.813 31.700 -0.207 0.000 0.876 65 V N 0.565 120.326 119.914 -0.256 0.000 3.359 65 V HA 0.117 4.237 4.120 -0.001 0.000 0.245 65 V C 0.738 176.750 176.094 -0.138 0.000 1.247 65 V CA 1.385 63.561 62.300 -0.206 0.000 1.145 65 V CB 0.524 32.088 31.823 -0.431 0.000 0.906 65 V HN 0.815 nan 8.190 nan 0.000 0.464 66 S N -2.245 113.261 115.700 -0.324 0.000 2.703 66 S HA 0.440 4.910 4.470 -0.001 0.000 0.273 66 S C -0.856 173.356 174.600 -0.646 0.000 1.178 66 S CA -0.369 57.558 58.200 -0.454 0.000 0.838 66 S CB 0.887 63.969 63.200 -0.198 0.000 1.178 66 S HN -0.050 nan 8.310 nan 0.000 0.494 67 Y N 0.914 121.049 120.300 -0.275 0.000 2.607 67 Y HA 0.461 5.011 4.550 -0.001 0.000 0.266 67 Y C 0.554 176.325 175.900 -0.216 0.000 1.178 67 Y CA -0.829 56.999 58.100 -0.454 0.000 1.226 67 Y CB -0.119 37.992 38.460 -0.580 0.000 1.144 67 Y HN 0.395 nan 8.280 nan 0.000 0.528 68 K N 0.911 121.290 120.400 -0.035 0.000 2.401 68 K HA 0.147 4.466 4.320 -0.001 0.000 0.278 68 K C -0.539 176.086 176.600 0.043 0.000 1.018 68 K CA -0.428 55.869 56.287 0.017 0.000 0.981 68 K CB 0.690 33.193 32.500 0.005 0.000 0.933 68 K HN -0.056 nan 8.250 nan 0.000 0.477 69 L N 3.868 125.137 121.223 0.077 0.000 2.382 69 L HA 0.067 4.407 4.340 -0.001 0.000 0.259 69 L C -0.311 176.630 176.870 0.118 0.000 1.291 69 L CA 0.253 55.128 54.840 0.058 0.000 1.176 69 L CB -0.496 41.560 42.059 -0.005 0.000 1.373 69 L HN 0.595 nan 8.230 nan 0.000 0.426 70 c N 2.114 120.777 118.600 0.104 0.000 2.892 70 c HA 0.749 5.318 4.570 -0.001 0.000 0.360 70 c C 0.235 174.362 174.090 0.062 0.000 1.054 70 c CA 0.091 56.480 56.329 0.101 0.000 1.326 70 c CB 0.139 42.690 42.510 0.068 0.000 1.806 70 c HN 0.883 nan 8.230 nan 0.000 0.490 71 T N 2.013 116.604 114.554 0.061 0.000 2.681 71 T HA 0.498 4.848 4.350 -0.001 0.000 0.296 71 T C 0.879 175.524 174.700 -0.093 0.000 1.157 71 T CA -0.684 61.405 62.100 -0.019 0.000 1.025 71 T CB 1.053 69.916 68.868 -0.007 0.000 1.441 71 T HN 0.542 nan 8.240 nan 0.000 0.504 72 R N 0.130 120.545 120.500 -0.142 0.000 2.285 72 R HA 0.042 4.381 4.340 -0.001 0.000 0.213 72 R C 1.935 178.074 176.300 -0.269 0.000 1.068 72 R CA 0.893 56.891 56.100 -0.171 0.000 1.004 72 R CB -0.384 29.814 30.300 -0.171 0.000 0.873 72 R HN 0.539 nan 8.270 nan 0.000 0.467 73 S N -0.514 114.918 115.700 -0.446 0.000 2.496 73 S HA 0.142 4.612 4.470 -0.001 0.000 0.224 73 S C 0.736 174.772 174.600 -0.940 0.000 0.996 73 S CA 0.654 58.320 58.200 -0.890 0.000 0.927 73 S CB 0.726 62.879 63.200 -1.745 0.000 0.774 73 S HN 0.647 nan 8.310 nan 0.000 0.524 74 G N 1.363 109.892 108.800 -0.452 0.000 2.369 74 G HA2 0.128 4.088 3.960 -0.001 0.000 0.295 74 G HA3 0.128 4.088 3.960 -0.001 0.000 0.295 74 G C -1.342 173.697 174.900 0.233 0.000 1.298 74 G CA -0.629 44.433 45.100 -0.062 0.000 0.940 74 G HN 0.350 nan 8.290 nan 0.000 0.536 75 N N -0.785 118.093 118.700 0.296 0.000 2.566 75 N HA 0.464 5.204 4.740 -0.001 0.000 0.299 75 N C 1.085 176.803 175.510 0.345 0.000 1.277 75 N CA 0.103 53.314 53.050 0.267 0.000 0.965 75 N CB 0.920 39.511 38.487 0.173 0.000 1.142 75 N HN 0.779 nan 8.380 nan 0.000 0.596 76 E N -0.936 119.411 120.200 0.245 0.000 2.106 76 E HA -0.219 4.130 4.350 -0.001 0.000 0.192 76 E C 0.348 177.096 176.600 0.246 0.000 0.984 76 E CA 1.246 57.792 56.400 0.243 0.000 0.806 76 E CB -0.121 29.700 29.700 0.201 0.000 0.750 76 E HN 0.521 nan 8.360 nan 0.000 0.458 77 D N 0.748 121.267 120.400 0.198 0.000 2.117 77 D HA -0.166 4.474 4.640 -0.001 0.000 0.197 77 D C 1.742 178.141 176.300 0.165 0.000 0.987 77 D CA 1.194 55.288 54.000 0.158 0.000 0.829 77 D CB -0.160 40.715 40.800 0.126 0.000 0.961 77 D HN 0.403 nan 8.370 nan 0.000 0.460 78 E N -0.163 120.174 120.200 0.229 0.000 2.150 78 E HA -0.145 4.205 4.350 -0.001 0.000 0.193 78 E C 1.909 178.648 176.600 0.232 0.000 0.985 78 E CA 0.335 56.891 56.400 0.259 0.000 0.814 78 E CB -0.166 29.747 29.700 0.355 0.000 0.752 78 E HN 0.220 nan 8.360 nan 0.000 0.466 79 F N 2.104 122.077 119.950 0.038 0.000 2.084 79 F HA -0.119 4.407 4.527 -0.000 0.000 0.296 79 F C 2.225 177.882 175.800 -0.239 0.000 1.111 79 F CA 1.448 59.228 58.000 -0.366 0.000 1.224 79 F CB 0.074 38.813 39.000 -0.434 0.000 0.991 79 F HN -0.207 nan 8.300 nan 0.000 0.471 80 R N 0.159 120.645 120.500 -0.024 0.000 2.081 80 R HA -0.216 4.123 4.340 -0.001 0.000 0.235 80 R C 2.198 178.416 176.300 -0.137 0.000 1.131 80 R CA 1.437 57.482 56.100 -0.092 0.000 0.960 80 R CB -1.213 29.114 30.300 0.045 0.000 0.856 80 R HN 0.453 nan 8.270 nan 0.000 0.436 81 N N 1.241 119.904 118.700 -0.061 0.000 2.104 81 N HA -0.201 4.538 4.740 -0.001 0.000 0.190 81 N C 1.900 177.344 175.510 -0.110 0.000 1.024 81 N CA 1.367 54.394 53.050 -0.040 0.000 0.853 81 N CB -0.005 38.495 38.487 0.021 0.000 1.008 81 N HN 0.223 nan 8.380 nan 0.000 0.424 82 M N 0.816 120.309 119.600 -0.178 0.000 2.086 82 M HA -0.143 4.337 4.480 -0.001 0.000 0.261 82 M C 1.945 178.032 176.300 -0.354 0.000 1.067 82 M CA 1.426 56.589 55.300 -0.228 0.000 1.116 82 M CB -0.113 32.331 32.600 -0.259 0.000 1.348 82 M HN -0.043 nan 8.290 nan 0.000 0.407 83 V N 0.689 120.280 119.914 -0.538 0.000 2.287 83 V HA -0.271 3.849 4.120 -0.001 0.000 0.248 83 V C 2.362 178.153 176.094 -0.505 0.000 1.053 83 V CA 2.415 64.371 62.300 -0.573 0.000 1.027 83 V CB -1.438 29.995 31.823 -0.650 0.000 0.646 83 V HN 0.592 nan 8.190 nan 0.000 0.447 84 T N -0.165 114.189 114.554 -0.333 0.000 2.652 84 T HA -0.239 4.110 4.350 -0.001 0.000 0.267 84 T C 2.079 176.689 174.700 -0.150 0.000 1.039 84 T CA 1.901 63.897 62.100 -0.174 0.000 1.153 84 T CB -0.283 68.633 68.868 0.081 0.000 0.863 84 T HN 0.417 nan 8.240 nan 0.000 0.428 85 R N 0.040 120.470 120.500 -0.118 0.000 2.081 85 R HA -0.054 4.286 4.340 -0.001 0.000 0.235 85 R C 2.844 179.066 176.300 -0.131 0.000 1.131 85 R CA 1.485 57.536 56.100 -0.081 0.000 0.960 85 R CB -0.829 29.440 30.300 -0.053 0.000 0.856 85 R HN 0.387 nan 8.270 nan 0.000 0.436 86 c N 0.652 119.131 118.600 -0.202 0.000 2.432 86 c HA -0.036 4.534 4.570 -0.001 0.000 0.277 86 c C 2.326 176.247 174.090 -0.281 0.000 1.249 86 c CA 0.476 56.677 56.329 -0.213 0.000 1.725 86 c CB -1.008 41.356 42.510 -0.243 0.000 2.028 86 c HN 0.510 nan 8.230 nan 0.000 0.477 87 N N 1.561 119.978 118.700 -0.472 0.000 2.166 87 N HA -0.094 4.646 4.740 -0.001 0.000 0.186 87 N C 1.288 176.564 175.510 -0.391 0.000 1.019 87 N CA 1.101 53.740 53.050 -0.685 0.000 0.856 87 N CB -0.630 36.902 38.487 -1.591 0.000 0.993 87 N HN 0.520 nan 8.380 nan 0.000 0.426 88 N N 0.132 118.732 118.700 -0.166 0.000 2.453 88 N HA -0.072 4.667 4.740 -0.001 0.000 0.183 88 N C 1.151 176.654 175.510 -0.012 0.000 1.041 88 N CA 0.241 53.317 53.050 0.044 0.000 0.900 88 N CB 0.128 38.676 38.487 0.102 0.000 0.961 88 N HN 0.054 nan 8.380 nan 0.000 0.443 89 V N -0.683 119.192 119.914 -0.066 0.000 3.483 89 V HA 0.304 4.424 4.120 -0.001 0.000 0.301 89 V C 0.960 177.021 176.094 -0.056 0.000 1.389 89 V CA 0.618 62.891 62.300 -0.044 0.000 1.101 89 V CB -0.399 31.403 31.823 -0.035 0.000 0.971 89 V HN 0.388 nan 8.190 nan 0.000 0.434 90 G N 0.532 109.276 108.800 -0.094 0.000 2.136 90 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.242 90 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.242 90 G C 0.079 174.930 174.900 -0.081 0.000 0.989 90 G CA 0.286 45.331 45.100 -0.092 0.000 0.682 90 G HN 0.644 nan 8.290 nan 0.000 0.522 91 V N 2.320 122.169 119.914 -0.108 0.000 2.357 91 V HA 0.567 4.686 4.120 -0.001 0.000 0.284 91 V C 0.566 176.568 176.094 -0.153 0.000 1.018 91 V CA -1.284 60.970 62.300 -0.076 0.000 0.841 91 V CB 1.401 33.193 31.823 -0.052 0.000 0.991 91 V HN 0.330 nan 8.190 nan 0.000 0.437 92 R N 4.235 124.663 120.500 -0.121 0.000 2.615 92 R HA 0.515 4.855 4.340 -0.001 0.000 0.270 92 R C -0.553 175.500 176.300 -0.413 0.000 1.081 92 R CA -0.658 55.276 56.100 -0.277 0.000 1.154 92 R CB 0.795 30.928 30.300 -0.277 0.000 1.063 92 R HN 0.415 nan 8.270 nan 0.000 0.519 93 I N 2.706 122.916 120.570 -0.600 0.000 2.406 93 I HA 0.280 4.450 4.170 -0.001 0.000 0.290 93 I C -0.711 174.973 176.117 -0.722 0.000 0.999 93 I CA -0.934 60.055 61.300 -0.519 0.000 1.124 93 I CB 1.127 38.857 38.000 -0.450 0.000 1.289 93 I HN 0.414 nan 8.210 nan 0.000 0.441 94 Y N 4.810 125.073 120.300 -0.061 0.000 2.328 94 Y HA 0.459 5.009 4.550 -0.001 0.000 0.336 94 Y C 0.229 176.094 175.900 -0.059 0.000 0.960 94 Y CA -0.899 57.159 58.100 -0.071 0.000 1.134 94 Y CB 1.871 40.421 38.460 0.150 0.000 1.166 94 Y HN 0.184 nan 8.280 nan 0.000 0.464 95 V N 3.188 123.068 119.914 -0.057 0.000 2.509 95 V HA 0.090 4.210 4.120 -0.001 0.000 0.284 95 V C -0.023 176.177 176.094 0.178 0.000 1.047 95 V CA -0.727 61.626 62.300 0.088 0.000 0.952 95 V CB 1.386 33.271 31.823 0.103 0.000 0.988 95 V HN 0.666 nan 8.190 nan 0.000 0.469 96 D N 4.131 124.648 120.400 0.195 0.000 2.344 96 D HA 0.311 4.951 4.640 -0.001 0.000 0.253 96 D C 0.042 176.468 176.300 0.209 0.000 1.255 96 D CA -0.062 54.049 54.000 0.185 0.000 0.894 96 D CB 1.207 42.143 40.800 0.226 0.000 1.067 96 D HN 0.676 nan 8.370 nan 0.000 0.492 97 A N 4.259 127.187 122.820 0.180 0.000 2.260 97 A HA 0.393 4.713 4.320 -0.001 0.000 0.312 97 A C -0.136 177.522 177.584 0.124 0.000 1.321 97 A CA -0.674 51.458 52.037 0.158 0.000 0.928 97 A CB 0.667 19.671 19.000 0.006 0.000 1.158 97 A HN 0.378 nan 8.150 nan 0.000 0.542 98 V N 5.537 125.531 119.914 0.134 0.000 2.284 98 V HA 0.159 4.279 4.120 -0.001 0.000 0.260 98 V C 0.862 176.936 176.094 -0.032 0.000 1.084 98 V CA 0.253 62.579 62.300 0.044 0.000 0.894 98 V CB -0.382 31.455 31.823 0.023 0.000 1.119 98 V HN 0.878 nan 8.190 nan 0.000 0.484 99 I N 0.550 121.090 120.570 -0.049 0.000 4.154 99 I HA 0.324 4.493 4.170 -0.001 0.000 0.334 99 I C 1.589 177.665 176.117 -0.068 0.000 1.371 99 I CA 0.262 61.538 61.300 -0.040 0.000 1.110 99 I CB 0.123 38.099 38.000 -0.041 0.000 1.085 99 I HN 0.472 nan 8.210 nan 0.000 0.398 100 N N 1.606 120.249 118.700 -0.094 0.000 2.354 100 N HA -0.092 4.648 4.740 -0.001 0.000 0.179 100 N C 0.584 176.125 175.510 0.052 0.000 1.021 100 N CA 1.164 54.232 53.050 0.029 0.000 0.887 100 N CB 0.148 38.760 38.487 0.208 0.000 0.974 100 N HN 0.694 nan 8.380 nan 0.000 0.437 101 H N -3.771 115.316 119.070 0.029 0.000 2.933 101 H HA 0.324 4.880 4.556 -0.000 0.000 0.310 101 H C -0.581 174.739 175.328 -0.013 0.000 1.351 101 H CA -0.887 55.170 56.048 0.015 0.000 1.137 101 H CB 0.485 30.257 29.762 0.017 0.000 1.853 101 H HN -0.182 nan 8.280 nan 0.000 0.539 102 M N 0.712 120.380 119.600 0.114 0.000 2.424 102 M HA 0.324 4.804 4.480 -0.001 0.000 0.243 102 M C 0.947 177.311 176.300 0.106 0.000 0.874 102 M CA -0.468 54.789 55.300 -0.072 0.000 1.442 102 M CB 0.565 32.891 32.600 -0.458 0.000 1.345 102 M HN 0.892 nan 8.290 nan 0.000 0.767 103 C N 0.005 119.356 119.300 0.085 0.000 2.560 103 C HA 0.746 5.205 4.460 -0.001 0.000 0.334 103 C C 1.025 176.083 174.990 0.112 0.000 1.404 103 C CA -0.887 58.208 59.018 0.127 0.000 2.410 103 C CB -0.744 27.059 27.740 0.106 0.000 2.268 103 C HN 0.850 nan 8.230 nan 0.000 0.673 104 G N 1.587 110.436 108.800 0.082 0.000 2.432 104 G HA2 0.171 4.130 3.960 -0.001 0.000 0.239 104 G HA3 0.171 4.130 3.960 -0.001 0.000 0.239 104 G C 0.932 175.855 174.900 0.039 0.000 1.291 104 G CA 0.264 45.382 45.100 0.030 0.000 0.863 104 G HN 1.050 nan 8.290 nan 0.000 0.560 105 N N 1.416 120.108 118.700 -0.013 0.000 2.453 105 N HA -0.093 4.647 4.740 -0.001 0.000 0.183 105 N C 1.615 177.111 175.510 -0.024 0.000 1.041 105 N CA 1.045 54.076 53.050 -0.031 0.000 0.900 105 N CB 0.034 38.480 38.487 -0.068 0.000 0.961 105 N HN 0.425 nan 8.380 nan 0.000 0.443 106 A N 0.617 123.429 122.820 -0.014 0.000 2.275 106 A HA 0.305 4.624 4.320 -0.001 0.000 0.212 106 A C 0.618 178.206 177.584 0.007 0.000 1.201 106 A CA -0.377 51.652 52.037 -0.014 0.000 0.843 106 A CB 0.103 19.091 19.000 -0.020 0.000 0.873 106 A HN 0.095 nan 8.150 nan 0.000 0.492 107 V N 1.567 121.506 119.914 0.042 0.000 2.637 107 V HA 0.101 4.220 4.120 -0.001 0.000 0.296 107 V C 0.749 176.852 176.094 0.015 0.000 1.046 107 V CA -0.139 62.209 62.300 0.081 0.000 1.066 107 V CB 1.140 33.081 31.823 0.197 0.000 0.968 107 V HN 0.412 nan 8.190 nan 0.000 0.483 108 S N 3.692 119.381 115.700 -0.018 0.000 2.549 108 S HA 0.379 4.848 4.470 -0.001 0.000 0.286 108 S C 0.541 174.966 174.600 -0.292 0.000 1.314 108 S CA -0.173 57.962 58.200 -0.108 0.000 1.062 108 S CB 0.774 63.932 63.200 -0.071 0.000 0.865 108 S HN 1.057 nan 8.310 nan 0.000 0.498 109 A N 2.633 125.245 122.820 -0.346 0.000 2.425 109 A HA 0.694 5.013 4.320 -0.001 0.000 0.242 109 A C 0.984 178.252 177.584 -0.527 0.000 1.077 109 A CA 0.428 52.111 52.037 -0.590 0.000 0.781 109 A CB -0.280 18.500 19.000 -0.368 0.000 1.020 109 A HN 1.329 nan 8.150 nan 0.000 0.494 110 G N -0.711 107.642 108.800 -0.746 0.000 2.332 110 G HA2 0.391 4.351 3.960 -0.001 0.000 0.265 110 G HA3 0.391 4.351 3.960 -0.001 0.000 0.265 110 G C 0.011 174.744 174.900 -0.279 0.000 1.329 110 G CA 0.488 45.410 45.100 -0.298 0.000 0.949 110 G HN 1.654 nan 8.290 nan 0.000 0.476 111 T N -2.237 112.316 114.554 -0.002 0.000 3.266 111 T HA 0.501 4.850 4.350 -0.001 0.000 0.278 111 T C 0.883 175.710 174.700 0.211 0.000 1.010 111 T CA 0.940 63.129 62.100 0.149 0.000 0.909 111 T CB 0.707 69.668 68.868 0.154 0.000 1.122 111 T HN 1.110 nan 8.240 nan 0.000 0.536 112 S N 2.932 118.776 115.700 0.240 0.000 4.175 112 S HA 0.406 4.876 4.470 -0.001 0.000 0.193 112 S C 0.307 175.109 174.600 0.336 0.000 1.373 112 S CA -0.571 57.802 58.200 0.288 0.000 0.908 112 S CB -1.064 62.297 63.200 0.268 0.000 1.547 112 S HN 0.748 nan 8.310 nan 0.000 0.440 113 S N 0.789 116.634 115.700 0.242 0.000 2.634 113 S HA 0.402 4.871 4.470 -0.001 0.000 0.296 113 S C 1.061 175.686 174.600 0.041 0.000 1.104 113 S CA -0.365 57.886 58.200 0.085 0.000 0.920 113 S CB 1.085 64.320 63.200 0.059 0.000 1.111 113 S HN 0.448 nan 8.310 nan 0.000 0.493 114 T N -3.195 111.345 114.554 -0.023 0.000 3.098 114 T HA -0.048 4.301 4.350 -0.001 0.000 0.266 114 T C 0.972 175.678 174.700 0.010 0.000 1.145 114 T CA 0.832 62.920 62.100 -0.020 0.000 1.092 114 T CB -0.667 68.168 68.868 -0.055 0.000 0.908 114 T HN 0.642 nan 8.240 nan 0.000 0.526 115 c N 0.293 118.909 118.600 0.026 0.000 3.657 115 c HA 0.669 5.239 4.570 -0.001 0.000 0.291 115 c C 1.989 176.116 174.090 0.062 0.000 1.572 115 c CA -0.088 56.266 56.329 0.041 0.000 1.818 115 c CB -0.683 41.847 42.510 0.032 0.000 2.903 115 c HN 0.870 nan 8.230 nan 0.000 0.632 116 G N 1.463 110.313 108.800 0.084 0.000 2.179 116 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.260 116 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.260 116 G C 0.219 175.201 174.900 0.137 0.000 0.977 116 G CA 0.571 45.735 45.100 0.107 0.000 0.641 116 G HN 0.584 nan 8.290 nan 0.000 0.533 117 S N -0.052 115.728 115.700 0.133 0.000 2.549 117 S HA 0.402 4.872 4.470 -0.001 0.000 0.286 117 S C 0.028 174.793 174.600 0.276 0.000 1.314 117 S CA -0.242 58.056 58.200 0.164 0.000 1.062 117 S CB 0.722 63.985 63.200 0.105 0.000 0.865 117 S HN 0.600 nan 8.310 nan 0.000 0.498 118 Y N 4.412 124.794 120.300 0.137 0.000 2.309 118 Y HA 0.544 5.094 4.550 -0.000 0.000 0.327 118 Y C -0.500 175.503 175.900 0.171 0.000 1.172 118 Y CA -0.971 57.190 58.100 0.101 0.000 1.280 118 Y CB 0.352 38.815 38.460 0.004 0.000 1.234 118 Y HN 0.569 nan 8.280 nan 0.000 0.512 119 F N 3.328 122.648 119.950 -1.050 0.000 2.641 119 F HA 0.446 4.973 4.527 -0.001 0.000 0.308 119 F C -1.894 173.217 175.800 -1.148 0.000 1.105 119 F CA -1.413 55.986 58.000 -1.001 0.000 0.964 119 F CB 1.311 39.913 39.000 -0.664 0.000 1.294 119 F HN 0.429 nan 8.300 nan 0.000 0.442 120 N N 3.167 121.308 118.700 -0.930 0.000 2.648 120 N HA 0.409 5.149 4.740 -0.001 0.000 0.261 120 N C -2.568 172.664 175.510 -0.464 0.000 1.138 120 N CA -2.139 50.522 53.050 -0.649 0.000 0.804 120 N CB 2.094 40.352 38.487 -0.380 0.000 1.237 120 N HN 0.292 nan 8.380 nan 0.000 0.532 121 P HA -0.030 nan 4.420 nan 0.000 0.215 121 P C 1.348 178.571 177.300 -0.128 0.000 1.157 121 P CA 1.254 64.279 63.100 -0.125 0.000 0.868 121 P CB 0.191 31.904 31.700 0.021 0.000 0.788 122 G N -0.058 108.665 108.800 -0.129 0.000 2.505 122 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.220 122 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.220 122 G C 1.421 176.260 174.900 -0.102 0.000 1.145 122 G CA 1.533 46.570 45.100 -0.104 0.000 0.761 122 G HN 0.448 nan 8.290 nan 0.000 0.571 123 S N -1.182 114.455 115.700 -0.105 0.000 2.597 123 S HA 0.350 4.820 4.470 -0.001 0.000 0.224 123 S C 1.000 175.568 174.600 -0.054 0.000 0.955 123 S CA 0.073 58.229 58.200 -0.074 0.000 0.933 123 S CB 0.403 63.575 63.200 -0.045 0.000 0.788 123 S HN 0.216 nan 8.310 nan 0.000 0.488 124 R N 0.551 121.003 120.500 -0.080 0.000 3.525 124 R HA -0.143 4.197 4.340 -0.001 0.000 0.276 124 R C -1.199 175.246 176.300 0.241 0.000 1.116 124 R CA 0.797 56.904 56.100 0.012 0.000 0.745 124 R CB -2.782 27.515 30.300 -0.005 0.000 1.185 124 R HN 0.638 nan 8.270 nan 0.000 0.454 125 D N -0.436 119.962 120.400 -0.003 0.000 2.349 125 D HA 0.409 5.048 4.640 -0.001 0.000 0.232 125 D C -0.735 175.439 176.300 -0.211 0.000 1.071 125 D CA -0.245 53.783 54.000 0.047 0.000 0.832 125 D CB 0.364 41.180 40.800 0.027 0.000 1.086 125 D HN 0.063 nan 8.370 nan 0.000 0.504 126 F N 5.192 125.283 119.950 0.234 0.000 2.531 126 F HA 0.282 4.809 4.527 -0.001 0.000 0.333 126 F C -1.424 174.467 175.800 0.152 0.000 1.292 126 F CA -1.647 56.470 58.000 0.196 0.000 1.184 126 F CB 1.532 40.684 39.000 0.253 0.000 1.426 126 F HN 0.295 nan 8.300 nan 0.000 0.559 127 P HA -0.275 nan 4.420 nan 0.000 0.218 127 P C 1.436 178.818 177.300 0.137 0.000 1.146 127 P CA 1.676 64.892 63.100 0.193 0.000 0.820 127 P CB 0.334 32.159 31.700 0.208 0.000 0.778 128 A N -0.593 122.303 122.820 0.126 0.000 2.121 128 A HA -0.027 4.293 4.320 -0.001 0.000 0.218 128 A C 2.344 179.918 177.584 -0.017 0.000 1.154 128 A CA 1.194 53.265 52.037 0.057 0.000 0.679 128 A CB -1.220 17.809 19.000 0.048 0.000 0.795 128 A HN 0.112 nan 8.150 nan 0.000 0.458 129 V N 0.395 120.272 119.914 -0.061 0.000 2.283 129 V HA 0.024 4.144 4.120 -0.001 0.000 0.239 129 V C -1.338 174.681 176.094 -0.125 0.000 1.035 129 V CA 1.406 63.573 62.300 -0.223 0.000 1.018 129 V CB -1.016 30.422 31.823 -0.642 0.000 0.658 129 V HN 0.496 nan 8.190 nan 0.000 0.459 130 P HA 0.433 nan 4.420 nan 0.000 0.289 130 P C -1.998 175.370 177.300 0.113 0.000 1.293 130 P CA -0.299 62.832 63.100 0.051 0.000 0.897 130 P CB 1.980 33.765 31.700 0.142 0.000 1.166 131 Y N -0.601 119.895 120.300 0.326 0.000 2.545 131 Y HA 0.517 5.067 4.550 -0.000 0.000 0.348 131 Y C 0.848 176.995 175.900 0.411 0.000 1.002 131 Y CA -0.338 57.965 58.100 0.339 0.000 1.039 131 Y CB 2.319 40.907 38.460 0.214 0.000 1.271 131 Y HN 0.513 nan 8.280 nan 0.000 0.467 132 S N -1.135 114.906 115.700 0.568 0.000 2.851 132 S HA 0.579 5.048 4.470 -0.001 0.000 0.313 132 S C 0.994 175.859 174.600 0.441 0.000 1.163 132 S CA -0.329 58.149 58.200 0.463 0.000 0.850 132 S CB 1.130 64.569 63.200 0.397 0.000 1.245 132 S HN 0.850 nan 8.310 nan 0.000 0.558 133 G N -0.332 108.574 108.800 0.177 0.000 2.462 133 G HA2 -0.129 3.831 3.960 -0.001 0.000 0.220 133 G HA3 -0.129 3.831 3.960 -0.001 0.000 0.220 133 G C 0.650 175.520 174.900 -0.051 0.000 1.121 133 G CA 0.507 45.615 45.100 0.015 0.000 0.758 133 G HN 0.759 nan 8.290 nan 0.000 0.559 134 W N 0.794 122.199 121.300 0.175 0.000 2.699 134 W HA 0.189 4.849 4.660 0.000 0.000 0.249 134 W C 1.126 177.683 176.519 0.063 0.000 1.280 134 W CA 0.248 57.654 57.345 0.101 0.000 1.345 134 W CB 0.338 29.831 29.460 0.056 0.000 1.128 134 W HN 0.099 nan 8.180 nan 0.000 0.642 135 D N -1.005 119.505 120.400 0.184 0.000 2.340 135 D HA 0.096 4.736 4.640 -0.001 0.000 0.217 135 D C -0.260 175.706 176.300 -0.558 0.000 1.081 135 D CA 0.398 54.312 54.000 -0.144 0.000 0.842 135 D CB -0.102 40.575 40.800 -0.205 0.000 0.934 135 D HN 0.038 nan 8.370 nan 0.000 0.511 136 F N 0.265 120.211 119.950 -0.006 0.000 2.575 136 F HA 0.318 4.845 4.527 -0.000 0.000 0.330 136 F C 1.366 177.164 175.800 -0.004 0.000 1.056 136 F CA -1.068 56.909 58.000 -0.039 0.000 0.964 136 F CB 0.873 39.847 39.000 -0.043 0.000 1.258 136 F HN -0.366 nan 8.300 nan 0.000 0.484 137 N N 0.909 119.730 118.700 0.201 0.000 2.362 137 N HA -0.031 4.708 4.740 -0.001 0.000 0.204 137 N C 0.710 176.279 175.510 0.097 0.000 1.166 137 N CA 0.309 53.434 53.050 0.126 0.000 0.831 137 N CB -0.254 38.301 38.487 0.113 0.000 1.008 137 N HN 0.560 nan 8.380 nan 0.000 0.472 138 D N 0.430 120.888 120.400 0.096 0.000 2.133 138 D HA -0.144 4.496 4.640 -0.001 0.000 0.195 138 D C 1.759 178.075 176.300 0.027 0.000 0.997 138 D CA 1.239 55.262 54.000 0.038 0.000 0.840 138 D CB -0.099 40.704 40.800 0.006 0.000 0.947 138 D HN 0.350 nan 8.370 nan 0.000 0.452 139 G N 0.302 109.122 108.800 0.034 0.000 2.572 139 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.216 139 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.216 139 G C 1.548 176.474 174.900 0.042 0.000 1.133 139 G CA 0.155 45.273 45.100 0.030 0.000 0.791 139 G HN 0.209 nan 8.290 nan 0.000 0.538 140 K N -0.406 120.027 120.400 0.056 0.000 2.166 140 K HA 0.040 4.360 4.320 -0.001 0.000 0.201 140 K C 0.990 177.627 176.600 0.060 0.000 1.052 140 K CA -0.069 56.256 56.287 0.063 0.000 0.969 140 K CB -0.164 32.386 32.500 0.083 0.000 0.761 140 K HN 0.225 nan 8.250 nan 0.000 0.459 141 c N 2.956 121.589 118.600 0.054 0.000 2.642 141 c HA 0.112 4.682 4.570 -0.001 0.000 0.420 141 c C 1.004 175.110 174.090 0.026 0.000 1.349 141 c CA -0.185 56.168 56.329 0.040 0.000 1.821 141 c CB -0.011 42.513 42.510 0.024 0.000 2.637 141 c HN 0.350 nan 8.230 nan 0.000 0.605 142 K N 3.422 123.836 120.400 0.023 0.000 2.373 142 K HA 0.109 4.429 4.320 -0.001 0.000 0.202 142 K C 0.990 177.593 176.600 0.005 0.000 1.025 142 K CA 0.183 56.480 56.287 0.016 0.000 1.115 142 K CB -0.234 32.279 32.500 0.022 0.000 0.858 142 K HN 0.930 nan 8.250 nan 0.000 0.525 143 T N -2.695 111.858 114.554 -0.003 0.000 2.899 143 T HA 0.264 4.614 4.350 -0.001 0.000 0.295 143 T C 1.548 176.242 174.700 -0.010 0.000 1.033 143 T CA -0.110 61.984 62.100 -0.010 0.000 1.084 143 T CB 1.654 70.509 68.868 -0.021 0.000 0.979 143 T HN 0.147 nan 8.240 nan 0.000 0.532 144 G N 0.621 109.415 108.800 -0.010 0.000 2.422 144 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.218 144 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.218 144 G C 1.627 176.518 174.900 -0.015 0.000 1.140 144 G CA 0.743 45.837 45.100 -0.011 0.000 0.775 144 G HN 0.956 nan 8.290 nan 0.000 0.545 145 S N -1.306 114.382 115.700 -0.019 0.000 2.503 145 S HA 0.383 4.853 4.470 -0.001 0.000 0.215 145 S C 1.923 176.506 174.600 -0.030 0.000 1.003 145 S CA 0.977 59.163 58.200 -0.025 0.000 0.910 145 S CB 0.229 63.413 63.200 -0.027 0.000 0.790 145 S HN 1.469 nan 8.310 nan 0.000 0.514 146 G N 0.845 109.628 108.800 -0.027 0.000 2.199 146 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.254 146 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.254 146 G C -0.330 174.547 174.900 -0.039 0.000 0.982 146 G CA 0.298 45.381 45.100 -0.029 0.000 0.632 146 G HN 0.562 nan 8.290 nan 0.000 0.529 147 D N -0.181 120.191 120.400 -0.047 0.000 2.385 147 D HA 0.581 5.220 4.640 -0.001 0.000 0.254 147 D C 0.960 177.217 176.300 -0.072 0.000 1.053 147 D CA -0.645 53.317 54.000 -0.064 0.000 0.992 147 D CB 0.874 41.635 40.800 -0.065 0.000 1.145 147 D HN 0.221 nan 8.370 nan 0.000 0.523 148 I N 1.239 121.747 120.570 -0.102 0.000 2.517 148 I HA -0.019 4.151 4.170 -0.001 0.000 0.285 148 I C 1.345 177.407 176.117 -0.090 0.000 1.106 148 I CA 0.611 61.824 61.300 -0.147 0.000 1.402 148 I CB 0.497 38.343 38.000 -0.257 0.000 1.399 148 I HN 0.305 nan 8.210 nan 0.000 0.535 149 E N 4.092 124.247 120.200 -0.074 0.000 2.399 149 E HA 0.113 4.462 4.350 -0.001 0.000 0.205 149 E C 0.283 176.896 176.600 0.022 0.000 0.906 149 E CA 0.061 56.452 56.400 -0.015 0.000 0.998 149 E CB 0.599 30.290 29.700 -0.015 0.000 1.002 149 E HN 0.634 nan 8.360 nan 0.000 0.501 150 N N -0.450 118.241 118.700 -0.015 0.000 2.500 150 N HA 0.089 4.829 4.740 -0.001 0.000 0.291 150 N C -0.739 174.774 175.510 0.005 0.000 1.092 150 N CA -0.204 52.872 53.050 0.045 0.000 0.890 150 N CB 0.780 39.282 38.487 0.025 0.000 1.466 150 N HN -0.103 nan 8.380 nan 0.000 0.507 151 Y N 2.241 122.535 120.300 -0.010 0.000 2.578 151 Y HA 0.096 4.646 4.550 -0.001 0.000 0.297 151 Y C 1.293 177.181 175.900 -0.021 0.000 1.176 151 Y CA 0.620 58.709 58.100 -0.018 0.000 1.315 151 Y CB -0.095 38.352 38.460 -0.022 0.000 1.031 151 Y HN 0.632 nan 8.280 nan 0.000 0.524 152 N N -0.446 118.315 118.700 0.101 0.000 2.398 152 N HA -0.070 4.670 4.740 -0.001 0.000 0.188 152 N C -0.258 175.268 175.510 0.027 0.000 1.122 152 N CA 0.134 53.218 53.050 0.058 0.000 0.866 152 N CB 0.237 38.752 38.487 0.048 0.000 0.970 152 N HN 0.104 nan 8.380 nan 0.000 0.462 153 D N 0.256 120.658 120.400 0.002 0.000 2.462 153 D HA 0.295 4.935 4.640 -0.001 0.000 0.249 153 D C 0.684 176.957 176.300 -0.044 0.000 1.117 153 D CA -0.611 53.384 54.000 -0.009 0.000 0.900 153 D CB 0.813 41.605 40.800 -0.013 0.000 1.039 153 D HN 0.069 nan 8.370 nan 0.000 0.516 154 A N 2.721 125.524 122.820 -0.028 0.000 2.032 154 A HA -0.182 4.138 4.320 -0.001 0.000 0.221 154 A C 1.982 179.477 177.584 -0.148 0.000 1.165 154 A CA 1.826 53.809 52.037 -0.090 0.000 0.645 154 A CB -0.439 18.540 19.000 -0.036 0.000 0.807 154 A HN 0.566 nan 8.150 nan 0.000 0.453 155 T N 0.312 114.875 114.554 0.015 0.000 2.732 155 T HA -0.147 4.203 4.350 -0.001 0.000 0.261 155 T C 2.118 176.837 174.700 0.032 0.000 1.040 155 T CA 1.595 63.777 62.100 0.138 0.000 1.145 155 T CB -0.286 68.712 68.868 0.216 0.000 0.866 155 T HN 0.889 nan 8.240 nan 0.000 0.427 156 Q N 0.932 120.719 119.800 -0.022 0.000 2.224 156 Q HA 0.003 4.343 4.340 -0.001 0.000 0.203 156 Q C 2.127 178.049 176.000 -0.130 0.000 0.970 156 Q CA 0.971 56.742 55.803 -0.054 0.000 0.865 156 Q CB -0.696 28.004 28.738 -0.064 0.000 0.922 156 Q HN 0.294 nan 8.270 nan 0.000 0.445 157 V N 1.007 120.795 119.914 -0.210 0.000 2.490 157 V HA -0.223 3.896 4.120 -0.001 0.000 0.250 157 V C 2.033 178.035 176.094 -0.153 0.000 1.061 157 V CA 2.046 64.190 62.300 -0.260 0.000 1.064 157 V CB -0.419 31.205 31.823 -0.333 0.000 0.670 157 V HN 0.278 nan 8.190 nan 0.000 0.461 158 R N -0.293 120.039 120.500 -0.279 0.000 2.156 158 R HA 0.064 4.404 4.340 -0.001 0.000 0.207 158 R C 1.609 177.864 176.300 -0.076 0.000 1.040 158 R CA 0.776 56.665 56.100 -0.352 0.000 1.013 158 R CB -0.229 29.387 30.300 -1.140 0.000 0.931 158 R HN 0.447 nan 8.270 nan 0.000 0.465 159 D N -1.235 119.182 120.400 0.028 0.000 2.367 159 D HA 0.104 4.744 4.640 -0.001 0.000 0.207 159 D C 0.033 176.365 176.300 0.054 0.000 1.034 159 D CA 0.268 54.334 54.000 0.110 0.000 0.861 159 D CB 0.285 41.190 40.800 0.174 0.000 0.943 159 D HN 0.075 nan 8.370 nan 0.000 0.515 160 c N 0.692 119.292 118.600 0.001 0.000 2.345 160 c HA 0.493 5.062 4.570 -0.001 0.000 0.370 160 c C 0.683 174.743 174.090 -0.050 0.000 1.209 160 c CA -1.011 55.305 56.329 -0.022 0.000 2.133 160 c CB 1.286 43.768 42.510 -0.048 0.000 2.293 160 c HN 0.063 nan 8.230 nan 0.000 0.544 161 R N 1.050 121.513 120.500 -0.062 0.000 2.347 161 R HA 0.309 4.649 4.340 -0.001 0.000 0.304 161 R C -0.586 175.618 176.300 -0.160 0.000 1.072 161 R CA -0.436 55.607 56.100 -0.096 0.000 0.980 161 R CB 0.163 30.415 30.300 -0.081 0.000 0.986 161 R HN 0.472 nan 8.270 nan 0.000 0.448 162 L N 4.877 125.951 121.223 -0.250 0.000 2.485 162 L HA -0.004 4.336 4.340 -0.001 0.000 0.279 162 L C 0.263 176.982 176.870 -0.250 0.000 1.124 162 L CA 0.751 55.393 54.840 -0.330 0.000 0.888 162 L CB 0.051 41.773 42.059 -0.563 0.000 1.217 162 L HN 0.936 nan 8.230 nan 0.000 0.464 163 T N 1.716 116.168 114.554 -0.171 0.000 3.639 163 T HA -0.170 4.179 4.350 -0.001 0.000 0.386 163 T C 1.136 175.745 174.700 -0.152 0.000 0.764 163 T CA 1.113 63.124 62.100 -0.148 0.000 1.954 163 T CB -2.375 66.393 68.868 -0.167 0.000 1.755 163 T HN 2.272 nan 8.240 nan 0.000 0.715 164 G N -0.946 107.777 108.800 -0.129 0.000 2.253 164 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.251 164 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.251 164 G C 0.054 174.890 174.900 -0.106 0.000 0.998 164 G CA -0.112 44.924 45.100 -0.106 0.000 0.621 164 G HN 1.050 nan 8.290 nan 0.000 0.524 165 L N 1.906 123.037 121.223 -0.154 0.000 2.534 165 L HA 0.333 4.673 4.340 -0.001 0.000 0.271 165 L C 1.384 178.220 176.870 -0.057 0.000 1.178 165 L CA 0.149 54.904 54.840 -0.141 0.000 0.907 165 L CB 0.223 42.051 42.059 -0.385 0.000 1.164 165 L HN 0.252 nan 8.230 nan 0.000 0.482 166 L N 3.508 124.722 121.223 -0.015 0.000 2.628 166 L HA -0.081 4.259 4.340 -0.001 0.000 0.274 166 L C 0.402 177.386 176.870 0.190 0.000 1.209 166 L CA 0.242 55.067 54.840 -0.025 0.000 0.930 166 L CB -0.139 41.753 42.059 -0.279 0.000 1.183 166 L HN 0.573 nan 8.230 nan 0.000 0.492 167 D N 3.923 124.450 120.400 0.213 0.000 2.313 167 D HA 0.326 4.966 4.640 -0.001 0.000 0.239 167 D C -0.228 176.212 176.300 0.234 0.000 1.142 167 D CA -0.286 53.839 54.000 0.208 0.000 0.847 167 D CB 0.791 41.658 40.800 0.112 0.000 1.082 167 D HN 0.253 nan 8.370 nan 0.000 0.480 168 L N 2.471 123.719 121.223 0.041 0.000 2.426 168 L HA 0.277 4.617 4.340 -0.001 0.000 0.271 168 L C 0.724 177.516 176.870 -0.129 0.000 1.169 168 L CA -0.663 54.022 54.840 -0.260 0.000 0.836 168 L CB 0.876 42.720 42.059 -0.358 0.000 1.112 168 L HN 0.484 nan 8.230 nan 0.000 0.465 169 A N 5.221 127.932 122.820 -0.181 0.000 2.990 169 A HA 0.271 4.591 4.320 -0.001 0.000 0.282 169 A C 1.097 178.664 177.584 -0.029 0.000 1.688 169 A CA -0.333 51.679 52.037 -0.042 0.000 1.391 169 A CB -0.583 18.408 19.000 -0.015 0.000 1.112 169 A HN 0.834 nan 8.150 nan 0.000 0.588 170 L N 0.747 121.974 121.223 0.006 0.000 2.642 170 L HA -0.127 4.213 4.340 -0.001 0.000 0.236 170 L C 2.477 179.369 176.870 0.037 0.000 1.169 170 L CA 1.104 55.956 54.840 0.019 0.000 0.851 170 L CB -0.246 41.846 42.059 0.054 0.000 0.968 170 L HN 0.861 nan 8.230 nan 0.000 0.453 171 E N 0.766 120.990 120.200 0.040 0.000 2.385 171 E HA -0.054 4.296 4.350 -0.001 0.000 0.194 171 E C 0.359 176.971 176.600 0.020 0.000 1.013 171 E CA 0.045 56.457 56.400 0.020 0.000 0.866 171 E CB 0.165 29.863 29.700 -0.003 0.000 0.832 171 E HN 0.369 nan 8.360 nan 0.000 0.500 172 K N 1.655 122.076 120.400 0.035 0.000 2.368 172 K HA 0.010 4.330 4.320 -0.001 0.000 0.282 172 K C 0.191 176.829 176.600 0.064 0.000 1.035 172 K CA 0.147 56.470 56.287 0.060 0.000 0.973 172 K CB 1.071 33.628 32.500 0.096 0.000 0.957 172 K HN -0.059 nan 8.250 nan 0.000 0.474 173 D N 1.973 122.414 120.400 0.068 0.000 2.144 173 D HA -0.231 4.409 4.640 -0.001 0.000 0.199 173 D C 1.479 177.829 176.300 0.083 0.000 0.984 173 D CA 1.350 55.385 54.000 0.057 0.000 0.834 173 D CB 0.048 40.880 40.800 0.052 0.000 0.955 173 D HN 0.616 nan 8.370 nan 0.000 0.465 174 Y N 0.445 120.763 120.300 0.029 0.000 2.128 174 Y HA -0.213 4.337 4.550 -0.001 0.000 0.284 174 Y C 2.103 178.054 175.900 0.085 0.000 1.154 174 Y CA 1.485 59.616 58.100 0.051 0.000 1.149 174 Y CB -0.590 37.910 38.460 0.066 0.000 0.976 174 Y HN -0.081 nan 8.280 nan 0.000 0.505 175 V N 0.854 120.785 119.914 0.028 0.000 2.295 175 V HA -0.319 3.801 4.120 -0.001 0.000 0.246 175 V C 2.423 178.476 176.094 -0.069 0.000 1.049 175 V CA 2.330 64.621 62.300 -0.015 0.000 1.024 175 V CB -0.657 31.152 31.823 -0.023 0.000 0.648 175 V HN 0.341 nan 8.190 nan 0.000 0.447 176 R N -0.022 120.447 120.500 -0.052 0.000 2.105 176 R HA -0.142 4.198 4.340 -0.001 0.000 0.239 176 R C 2.537 178.775 176.300 -0.104 0.000 1.135 176 R CA 1.742 57.804 56.100 -0.064 0.000 0.967 176 R CB -0.443 29.835 30.300 -0.036 0.000 0.861 176 R HN 0.459 nan 8.270 nan 0.000 0.442 177 S N 0.408 116.034 115.700 -0.123 0.000 2.387 177 S HA -0.030 4.440 4.470 -0.001 0.000 0.226 177 S C 1.615 176.094 174.600 -0.201 0.000 1.026 177 S CA 0.859 58.974 58.200 -0.141 0.000 0.972 177 S CB 0.089 63.224 63.200 -0.107 0.000 0.814 177 S HN 0.177 nan 8.310 nan 0.000 0.477 178 K N 1.335 121.560 120.400 -0.291 0.000 2.148 178 K HA 0.111 4.431 4.320 -0.001 0.000 0.204 178 K C 1.847 178.294 176.600 -0.255 0.000 1.050 178 K CA 0.646 56.764 56.287 -0.282 0.000 0.942 178 K CB -0.496 31.787 32.500 -0.363 0.000 0.724 178 K HN 0.334 nan 8.250 nan 0.000 0.446 179 I N 1.048 121.488 120.570 -0.217 0.000 2.202 179 I HA -0.148 4.022 4.170 -0.001 0.000 0.242 179 I C 2.346 178.307 176.117 -0.260 0.000 1.091 179 I CA 1.086 62.219 61.300 -0.279 0.000 1.368 179 I CB -1.435 36.461 38.000 -0.173 0.000 1.058 179 I HN -0.017 nan 8.210 nan 0.000 0.410 180 A N 0.401 123.092 122.820 -0.215 0.000 1.933 180 A HA -0.237 4.083 4.320 -0.001 0.000 0.218 180 A C 2.356 179.811 177.584 -0.215 0.000 1.175 180 A CA 1.731 53.636 52.037 -0.221 0.000 0.628 180 A CB -0.683 18.217 19.000 -0.166 0.000 0.814 180 A HN 0.536 nan 8.150 nan 0.000 0.444 181 E N -1.417 118.681 120.200 -0.171 0.000 2.077 181 E HA -0.256 4.094 4.350 -0.001 0.000 0.193 181 E C 1.838 178.388 176.600 -0.083 0.000 0.989 181 E CA 1.584 57.912 56.400 -0.121 0.000 0.800 181 E CB -0.355 29.285 29.700 -0.100 0.000 0.746 181 E HN 0.712 nan 8.360 nan 0.000 0.452 182 Y N 0.929 121.054 120.300 -0.292 0.000 2.133 182 Y HA -0.155 4.394 4.550 -0.000 0.000 0.287 182 Y C 2.058 177.855 175.900 -0.172 0.000 1.134 182 Y CA 1.954 59.885 58.100 -0.283 0.000 1.133 182 Y CB -0.392 37.673 38.460 -0.659 0.000 0.987 182 Y HN 0.020 nan 8.280 nan 0.000 0.502 183 M N 0.143 119.433 119.600 -0.516 0.000 2.175 183 M HA -0.203 4.276 4.480 -0.001 0.000 0.264 183 M C 1.686 177.840 176.300 -0.244 0.000 1.063 183 M CA 1.490 56.446 55.300 -0.575 0.000 1.119 183 M CB -0.364 31.775 32.600 -0.770 0.000 1.377 183 M HN 0.234 nan 8.290 nan 0.000 0.415 184 N N -0.452 118.093 118.700 -0.259 0.000 2.270 184 N HA -0.156 4.584 4.740 -0.001 0.000 0.181 184 N C 1.563 177.012 175.510 -0.102 0.000 1.016 184 N CA 1.156 54.019 53.050 -0.312 0.000 0.870 184 N CB -0.459 37.642 38.487 -0.643 0.000 0.979 184 N HN 0.436 nan 8.380 nan 0.000 0.431 185 H N 1.013 120.008 119.070 -0.125 0.000 2.353 185 H HA 0.084 4.639 4.556 -0.001 0.000 0.300 185 H C 2.008 177.336 175.328 0.001 0.000 1.090 185 H CA 1.368 57.400 56.048 -0.027 0.000 1.327 185 H CB -0.276 29.485 29.762 -0.002 0.000 1.383 185 H HN 0.078 nan 8.280 nan 0.000 0.508 186 L N -0.408 120.765 121.223 -0.084 0.000 2.056 186 L HA -0.121 4.218 4.340 -0.001 0.000 0.207 186 L C 2.547 179.394 176.870 -0.038 0.000 1.078 186 L CA 1.190 55.987 54.840 -0.071 0.000 0.749 186 L CB -0.385 41.652 42.059 -0.037 0.000 0.901 186 L HN 0.308 nan 8.230 nan 0.000 0.433 187 I N 0.093 120.669 120.570 0.011 0.000 2.226 187 I HA -0.299 3.870 4.170 -0.001 0.000 0.245 187 I C 1.954 178.096 176.117 0.043 0.000 1.100 187 I CA 1.273 62.576 61.300 0.006 0.000 1.374 187 I CB -0.396 37.633 38.000 0.048 0.000 1.057 187 I HN 0.282 nan 8.210 nan 0.000 0.413 188 D N 0.651 121.090 120.400 0.066 0.000 2.264 188 D HA -0.099 4.540 4.640 -0.001 0.000 0.208 188 D C 2.154 178.503 176.300 0.082 0.000 0.966 188 D CA 0.919 54.984 54.000 0.109 0.000 0.864 188 D CB -0.000 40.880 40.800 0.134 0.000 0.933 188 D HN 0.256 nan 8.370 nan 0.000 0.499 189 I N -0.387 120.181 120.570 -0.002 0.000 2.353 189 I HA -0.027 4.143 4.170 -0.001 0.000 0.248 189 I C 1.846 178.008 176.117 0.075 0.000 1.119 189 I CA 1.384 62.685 61.300 0.002 0.000 1.417 189 I CB -0.608 37.362 38.000 -0.050 0.000 1.078 189 I HN 0.170 nan 8.210 nan 0.000 0.421 190 G N 0.529 109.357 108.800 0.045 0.000 2.370 190 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.174 190 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.174 190 G C 0.374 175.199 174.900 -0.124 0.000 1.002 190 G CA 0.036 45.162 45.100 0.043 0.000 0.730 190 G HN 0.243 nan 8.290 nan 0.000 0.497 191 V N -0.445 119.338 119.914 -0.218 0.000 2.872 191 V HA 0.683 4.803 4.120 -0.001 0.000 0.307 191 V C 1.321 177.154 176.094 -0.435 0.000 1.072 191 V CA 1.034 63.114 62.300 -0.367 0.000 1.148 191 V CB 1.422 32.990 31.823 -0.426 0.000 0.954 191 V HN 1.332 nan 8.190 nan 0.000 0.490 192 A N 2.800 125.301 122.820 -0.531 0.000 2.220 192 A HA 0.750 5.070 4.320 -0.001 0.000 0.211 192 A C 1.167 178.597 177.584 -0.257 0.000 1.176 192 A CA 0.691 52.429 52.037 -0.498 0.000 0.834 192 A CB -0.452 18.318 19.000 -0.384 0.000 0.868 192 A HN 2.034 nan 8.150 nan 0.000 0.488 193 G N -1.981 106.619 108.800 -0.333 0.000 2.340 193 G HA2 0.493 4.453 3.960 -0.001 0.000 0.299 193 G HA3 0.493 4.453 3.960 -0.001 0.000 0.299 193 G C -1.602 172.970 174.900 -0.546 0.000 1.291 193 G CA -0.690 44.342 45.100 -0.114 0.000 0.841 193 G HN 0.169 nan 8.290 nan 0.000 0.500 194 F N -0.455 119.482 119.950 -0.022 0.000 2.601 194 F HA 0.685 5.211 4.527 -0.001 0.000 0.309 194 F C 0.244 175.677 175.800 -0.612 0.000 1.089 194 F CA -0.892 56.988 58.000 -0.200 0.000 0.940 194 F CB 2.539 41.422 39.000 -0.195 0.000 1.273 194 F HN 0.455 nan 8.300 nan 0.000 0.450 195 R N 3.381 123.615 120.500 -0.444 0.000 2.215 195 R HA 0.507 4.847 4.340 -0.001 0.000 0.336 195 R C -1.581 174.556 176.300 -0.272 0.000 0.996 195 R CA -0.377 55.221 56.100 -0.836 0.000 0.847 195 R CB 0.435 30.440 30.300 -0.492 0.000 1.127 195 R HN 0.797 nan 8.270 nan 0.000 0.465 196 L N 4.712 125.790 121.223 -0.241 0.000 2.295 196 L HA 0.149 4.489 4.340 -0.001 0.000 0.288 196 L C 0.209 177.077 176.870 -0.004 0.000 1.079 196 L CA -0.455 54.334 54.840 -0.085 0.000 0.830 196 L CB 0.720 42.729 42.059 -0.082 0.000 1.200 196 L HN 0.649 nan 8.230 nan 0.000 0.438 197 D N 3.555 124.000 120.400 0.075 0.000 2.414 197 D HA 0.255 4.895 4.640 -0.001 0.000 0.242 197 D C 0.875 177.270 176.300 0.158 0.000 1.129 197 D CA 0.555 54.654 54.000 0.165 0.000 0.885 197 D CB 0.946 41.921 40.800 0.291 0.000 1.198 197 D HN 0.721 nan 8.370 nan 0.000 0.437 198 A N 2.756 125.687 122.820 0.184 0.000 2.640 198 A HA -0.239 4.081 4.320 -0.001 0.000 0.300 198 A C 1.776 179.445 177.584 0.141 0.000 1.499 198 A CA 1.181 53.364 52.037 0.243 0.000 0.759 198 A CB -2.048 17.168 19.000 0.361 0.000 1.048 198 A HN 0.448 nan 8.150 nan 0.000 0.450 199 S N -0.545 115.156 115.700 0.002 0.000 2.419 199 S HA -0.147 4.323 4.470 -0.001 0.000 0.233 199 S C 1.852 176.328 174.600 -0.207 0.000 1.016 199 S CA 1.414 59.554 58.200 -0.101 0.000 0.974 199 S CB -0.126 62.939 63.200 -0.225 0.000 0.786 199 S HN 0.880 nan 8.310 nan 0.000 0.492 200 K N 0.903 121.121 120.400 -0.303 0.000 2.209 200 K HA -0.147 4.172 4.320 -0.001 0.000 0.204 200 K C 1.050 177.434 176.600 -0.360 0.000 1.048 200 K CA 1.203 57.276 56.287 -0.357 0.000 0.940 200 K CB -0.164 32.074 32.500 -0.437 0.000 0.729 200 K HN 0.456 nan 8.250 nan 0.000 0.451 201 H N -0.279 118.761 119.070 -0.049 0.000 2.543 201 H HA 0.168 4.723 4.556 -0.001 0.000 0.269 201 H C 0.092 175.355 175.328 -0.108 0.000 1.005 201 H CA 0.416 56.411 56.048 -0.088 0.000 1.146 201 H CB -0.010 29.734 29.762 -0.031 0.000 1.353 201 H HN 0.198 nan 8.280 nan 0.000 0.595 202 M N -0.418 119.180 119.600 -0.003 0.000 2.530 202 M HA 0.199 4.679 4.480 -0.001 0.000 0.307 202 M C -0.978 175.326 176.300 0.007 0.000 1.161 202 M CA -0.848 54.464 55.300 0.020 0.000 0.903 202 M CB 2.369 35.039 32.600 0.117 0.000 1.711 202 M HN -0.016 nan 8.290 nan 0.000 0.451 203 W N 2.126 123.474 121.300 0.080 0.000 2.216 203 W HA 0.230 4.890 4.660 -0.001 0.000 0.326 203 W C -1.778 174.726 176.519 -0.026 0.000 1.319 203 W CA -0.937 56.413 57.345 0.008 0.000 1.213 203 W CB -0.183 29.268 29.460 -0.015 0.000 1.171 203 W HN 0.485 nan 8.180 nan 0.000 0.557 204 P HA -0.207 nan 4.420 nan 0.000 0.216 204 P C 1.709 179.030 177.300 0.035 0.000 1.150 204 P CA 2.436 65.465 63.100 -0.118 0.000 0.843 204 P CB 0.098 31.564 31.700 -0.390 0.000 0.787 205 G N -0.669 108.173 108.800 0.071 0.000 2.422 205 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.218 205 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.218 205 G C 1.224 176.157 174.900 0.056 0.000 1.140 205 G CA 0.682 45.807 45.100 0.042 0.000 0.775 205 G HN 0.184 nan 8.290 nan 0.000 0.545 206 D N 0.538 121.007 120.400 0.115 0.000 2.149 206 D HA -0.012 4.627 4.640 -0.001 0.000 0.201 206 D C 2.567 178.907 176.300 0.066 0.000 0.972 206 D CA 0.255 54.313 54.000 0.095 0.000 0.835 206 D CB -0.031 40.866 40.800 0.161 0.000 0.966 206 D HN 0.345 nan 8.370 nan 0.000 0.476 207 I N 0.693 121.315 120.570 0.087 0.000 2.179 207 I HA -0.273 3.897 4.170 -0.001 0.000 0.242 207 I C 2.362 178.493 176.117 0.023 0.000 1.088 207 I CA 0.976 62.311 61.300 0.058 0.000 1.357 207 I CB -0.136 37.930 38.000 0.111 0.000 1.051 207 I HN -0.078 nan 8.210 nan 0.000 0.409 208 K N 1.611 122.030 120.400 0.033 0.000 2.063 208 K HA -0.178 4.142 4.320 -0.001 0.000 0.208 208 K C 2.075 178.673 176.600 -0.002 0.000 1.048 208 K CA 1.745 58.040 56.287 0.014 0.000 0.928 208 K CB -0.311 32.202 32.500 0.021 0.000 0.713 208 K HN 0.293 nan 8.250 nan 0.000 0.442 209 A N 0.546 123.366 122.820 0.000 0.000 1.933 209 A HA -0.113 4.207 4.320 -0.001 0.000 0.218 209 A C 2.180 179.749 177.584 -0.025 0.000 1.175 209 A CA 1.682 53.713 52.037 -0.009 0.000 0.628 209 A CB -0.607 18.390 19.000 -0.005 0.000 0.814 209 A HN 0.376 nan 8.150 nan 0.000 0.444 210 I N -0.489 120.060 120.570 -0.036 0.000 2.286 210 I HA -0.199 3.971 4.170 -0.001 0.000 0.245 210 I C 2.219 178.284 176.117 -0.086 0.000 1.104 210 I CA 0.901 62.158 61.300 -0.070 0.000 1.397 210 I CB -0.317 37.630 38.000 -0.088 0.000 1.072 210 I HN 0.268 nan 8.210 nan 0.000 0.417 211 L N 0.360 121.539 121.223 -0.073 0.000 2.191 211 L HA -0.219 4.121 4.340 -0.001 0.000 0.212 211 L C 1.773 178.614 176.870 -0.048 0.000 1.103 211 L CA 1.050 55.846 54.840 -0.072 0.000 0.769 211 L CB -0.679 41.346 42.059 -0.056 0.000 0.908 211 L HN 0.281 nan 8.230 nan 0.000 0.438 212 D N 0.213 120.594 120.400 -0.032 0.000 2.348 212 D HA -0.107 4.532 4.640 -0.001 0.000 0.216 212 D C 1.821 178.114 176.300 -0.012 0.000 0.970 212 D CA 0.954 54.945 54.000 -0.016 0.000 0.889 212 D CB 0.108 40.903 40.800 -0.009 0.000 0.912 212 D HN 0.314 nan 8.370 nan 0.000 0.524 213 K N -0.227 120.154 120.400 -0.031 0.000 2.404 213 K HA 0.068 4.388 4.320 -0.001 0.000 0.194 213 K C 0.100 176.679 176.600 -0.035 0.000 1.023 213 K CA -0.321 55.949 56.287 -0.029 0.000 1.094 213 K CB 0.592 33.058 32.500 -0.056 0.000 0.841 213 K HN -0.045 nan 8.250 nan 0.000 0.523 214 L N 1.364 122.560 121.223 -0.044 0.000 2.397 214 L HA 0.115 4.455 4.340 -0.001 0.000 0.271 214 L C 0.469 177.384 176.870 0.075 0.000 1.148 214 L CA 0.147 54.956 54.840 -0.052 0.000 0.825 214 L CB 0.375 42.399 42.059 -0.059 0.000 1.117 214 L HN 0.147 nan 8.230 nan 0.000 0.456 215 H N 1.365 120.428 119.070 -0.011 0.000 2.660 215 H HA 0.171 4.726 4.556 -0.000 0.000 0.374 215 H C -0.018 175.303 175.328 -0.011 0.000 1.291 215 H CA -0.564 55.481 56.048 -0.005 0.000 1.437 215 H CB 0.673 30.438 29.762 0.004 0.000 1.509 215 H HN 0.606 nan 8.280 nan 0.000 0.614 216 N N 0.069 118.841 118.700 0.121 0.000 2.445 216 N HA 0.143 4.883 4.740 -0.001 0.000 0.264 216 N C -0.388 175.140 175.510 0.030 0.000 1.227 216 N CA -0.675 52.400 53.050 0.043 0.000 0.963 216 N CB 0.879 39.381 38.487 0.024 0.000 1.188 216 N HN 0.192 nan 8.380 nan 0.000 0.491 217 L N 1.123 122.310 121.223 -0.059 0.000 2.483 217 L HA -0.007 4.333 4.340 -0.001 0.000 0.275 217 L C 0.795 177.712 176.870 0.079 0.000 1.220 217 L CA 0.000 54.748 54.840 -0.154 0.000 0.833 217 L CB -0.069 41.608 42.059 -0.638 0.000 1.102 217 L HN 0.605 nan 8.230 nan 0.000 0.490 218 N N 0.164 118.989 118.700 0.209 0.000 2.374 218 N HA -0.094 4.646 4.740 -0.001 0.000 0.269 218 N C 1.092 176.806 175.510 0.340 0.000 1.310 218 N CA 0.219 53.455 53.050 0.308 0.000 0.877 218 N CB 0.626 39.382 38.487 0.449 0.000 1.096 218 N HN 0.630 nan 8.380 nan 0.000 0.484 219 S N 2.496 118.289 115.700 0.156 0.000 2.547 219 S HA -0.082 4.388 4.470 -0.001 0.000 0.235 219 S C 1.149 175.751 174.600 0.004 0.000 0.980 219 S CA 0.358 58.615 58.200 0.095 0.000 0.941 219 S CB -0.060 63.159 63.200 0.032 0.000 0.763 219 S HN 0.629 nan 8.310 nan 0.000 0.532 220 N N 0.022 118.671 118.700 -0.084 0.000 2.409 220 N HA 0.043 4.783 4.740 -0.001 0.000 0.179 220 N C 0.618 175.848 175.510 -0.466 0.000 1.032 220 N CA 0.866 53.695 53.050 -0.368 0.000 0.898 220 N CB -0.040 38.039 38.487 -0.679 0.000 0.971 220 N HN 0.624 nan 8.380 nan 0.000 0.441 221 W N -0.608 120.631 121.300 -0.102 0.000 2.942 221 W HA 0.283 4.943 4.660 -0.000 0.000 0.260 221 W C -0.245 175.948 176.519 -0.543 0.000 1.101 221 W CA -0.175 56.943 57.345 -0.377 0.000 1.436 221 W CB 0.178 29.264 29.460 -0.623 0.000 0.883 221 W HN -0.188 nan 8.180 nan 0.000 0.646 222 F N 1.971 122.030 119.950 0.181 0.000 2.538 222 F HA 0.485 5.012 4.527 -0.001 0.000 0.325 222 F C -1.695 174.136 175.800 0.051 0.000 1.066 222 F CA -2.753 55.306 58.000 0.098 0.000 0.946 222 F CB 0.100 39.148 39.000 0.080 0.000 1.199 222 F HN -0.429 nan 8.300 nan 0.000 0.473 223 P HA 0.155 nan 4.420 nan 0.000 0.272 223 P C -0.795 176.572 177.300 0.112 0.000 1.223 223 P CA -0.308 62.863 63.100 0.118 0.000 0.784 223 P CB 0.665 32.418 31.700 0.089 0.000 0.923 224 A N 1.644 124.506 122.820 0.069 0.000 2.565 224 A HA 0.375 4.695 4.320 -0.001 0.000 0.237 224 A C 1.484 179.096 177.584 0.046 0.000 1.053 224 A CA 0.825 52.892 52.037 0.050 0.000 0.755 224 A CB -1.465 17.553 19.000 0.029 0.000 0.980 224 A HN 0.949 nan 8.150 nan 0.000 0.506 225 G N 1.655 110.478 108.800 0.037 0.000 2.157 225 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.248 225 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.248 225 G C 0.392 175.308 174.900 0.028 0.000 0.979 225 G CA 0.303 45.420 45.100 0.029 0.000 0.650 225 G HN 1.216 nan 8.290 nan 0.000 0.529 226 S N 0.797 116.517 115.700 0.034 0.000 2.505 226 S HA 0.465 4.934 4.470 -0.001 0.000 0.276 226 S C 0.462 175.042 174.600 -0.033 0.000 1.274 226 S CA 0.068 58.274 58.200 0.010 0.000 1.053 226 S CB 1.309 64.522 63.200 0.022 0.000 0.919 226 S HN 0.446 nan 8.310 nan 0.000 0.490 227 K N 3.583 123.966 120.400 -0.029 0.000 2.123 227 K HA 0.407 4.727 4.320 -0.001 0.000 0.259 227 K C -2.462 174.116 176.600 -0.038 0.000 0.960 227 K CA -2.307 53.963 56.287 -0.029 0.000 0.872 227 K CB 0.931 33.420 32.500 -0.019 0.000 1.079 227 K HN 0.336 nan 8.250 nan 0.000 0.440 228 P HA -0.090 nan 4.420 nan 0.000 0.268 228 P C -0.644 176.720 177.300 0.106 0.000 1.204 228 P CA -0.095 63.013 63.100 0.013 0.000 0.768 228 P CB 0.315 32.073 31.700 0.096 0.000 0.842 229 F N 4.986 124.929 119.950 -0.012 0.000 2.504 229 F HA 0.223 4.750 4.527 -0.000 0.000 0.369 229 F C -0.254 175.590 175.800 0.072 0.000 1.082 229 F CA -0.579 57.429 58.000 0.012 0.000 1.216 229 F CB -0.056 38.971 39.000 0.046 0.000 1.108 229 F HN 0.116 nan 8.300 nan 0.000 0.554 230 I N 8.754 129.105 120.570 -0.366 0.000 2.418 230 I HA 0.202 4.371 4.170 -0.001 0.000 0.287 230 I C -1.141 174.704 176.117 -0.453 0.000 1.008 230 I CA -0.793 60.295 61.300 -0.354 0.000 1.104 230 I CB 1.066 38.966 38.000 -0.166 0.000 1.264 230 I HN 0.564 nan 8.210 nan 0.000 0.438 231 Y N 3.263 123.246 120.300 -0.528 0.000 2.338 231 Y HA 0.686 5.235 4.550 -0.001 0.000 0.333 231 Y C -0.559 175.254 175.900 -0.144 0.000 0.968 231 Y CA -1.242 56.644 58.100 -0.357 0.000 1.123 231 Y CB 0.869 39.080 38.460 -0.415 0.000 1.165 231 Y HN 0.485 nan 8.280 nan 0.000 0.452 232 Q N 3.152 122.968 119.800 0.028 0.000 2.274 232 Q HA 0.239 4.579 4.340 -0.001 0.000 0.256 232 Q C -0.655 175.367 176.000 0.036 0.000 0.927 232 Q CA -0.669 55.123 55.803 -0.018 0.000 0.939 232 Q CB 1.453 30.165 28.738 -0.043 0.000 1.201 232 Q HN 0.551 nan 8.270 nan 0.000 0.426 233 E N 2.758 122.983 120.200 0.042 0.000 2.003 233 E HA 0.134 4.484 4.350 -0.001 0.000 0.279 233 E C -0.979 175.658 176.600 0.062 0.000 1.132 233 E CA -0.046 56.446 56.400 0.154 0.000 0.888 233 E CB 0.641 30.443 29.700 0.170 0.000 1.056 233 E HN 0.255 nan 8.360 nan 0.000 0.399 234 V N 4.942 124.910 119.914 0.090 0.000 2.483 234 V HA 0.262 4.382 4.120 -0.001 0.000 0.297 234 V C -0.101 176.019 176.094 0.044 0.000 1.027 234 V CA -0.853 61.406 62.300 -0.068 0.000 0.855 234 V CB 1.448 33.129 31.823 -0.237 0.000 0.995 234 V HN 0.433 nan 8.190 nan 0.000 0.424 235 I N 4.354 124.831 120.570 -0.155 0.000 2.281 235 I HA 0.363 4.533 4.170 -0.001 0.000 0.293 235 I C -0.050 176.000 176.117 -0.112 0.000 1.085 235 I CA 0.374 61.501 61.300 -0.290 0.000 1.257 235 I CB 0.621 38.300 38.000 -0.535 0.000 1.430 235 I HN 0.540 nan 8.210 nan 0.000 0.489 236 D N 7.316 127.718 120.400 0.004 0.000 2.420 236 D HA 0.430 5.070 4.640 -0.001 0.000 0.255 236 D C -0.194 176.131 176.300 0.042 0.000 1.185 236 D CA -0.245 53.765 54.000 0.016 0.000 0.904 236 D CB 0.691 41.517 40.800 0.042 0.000 1.102 236 D HN 0.295 nan 8.370 nan 0.000 0.534 237 L N 1.617 122.850 121.223 0.016 0.000 2.613 237 L HA 0.609 4.949 4.340 -0.001 0.000 0.200 237 L C 1.711 178.602 176.870 0.035 0.000 1.467 237 L CA -0.803 54.060 54.840 0.038 0.000 2.933 237 L CB -0.866 41.207 42.059 0.023 0.000 2.750 237 L HN 0.339 nan 8.230 nan 0.000 0.990 238 G N -0.434 108.378 108.800 0.021 0.000 2.750 238 G HA2 0.273 4.233 3.960 -0.001 0.000 0.250 238 G HA3 0.273 4.233 3.960 -0.001 0.000 0.250 238 G C 0.177 175.084 174.900 0.013 0.000 1.230 238 G CA 0.065 45.175 45.100 0.018 0.000 0.883 238 G HN 0.534 nan 8.290 nan 0.000 0.573 239 G N -0.747 108.060 108.800 0.012 0.000 2.202 239 G HA2 0.399 4.359 3.960 -0.001 0.000 0.251 239 G HA3 0.399 4.359 3.960 -0.001 0.000 0.251 239 G C -0.059 174.848 174.900 0.012 0.000 1.219 239 G CA 0.263 45.371 45.100 0.012 0.000 0.943 239 G HN 0.688 nan 8.290 nan 0.000 0.465 240 E N 2.275 122.485 120.200 0.017 0.000 2.408 240 E HA 0.383 4.732 4.350 -0.001 0.000 0.275 240 E C -1.610 175.005 176.600 0.025 0.000 0.935 240 E CA -1.791 54.624 56.400 0.026 0.000 0.775 240 E CB 2.422 32.138 29.700 0.027 0.000 1.277 240 E HN 0.253 nan 8.360 nan 0.000 0.455 241 P HA -0.035 nan 4.420 nan 0.000 0.222 241 P C 0.364 177.672 177.300 0.015 0.000 1.147 241 P CA 0.718 63.830 63.100 0.020 0.000 0.790 241 P CB 0.352 32.065 31.700 0.021 0.000 0.780 242 I N 0.960 121.540 120.570 0.016 0.000 2.365 242 I HA 0.205 4.375 4.170 -0.001 0.000 0.291 242 I C 0.697 176.836 176.117 0.038 0.000 1.004 242 I CA -0.669 60.645 61.300 0.024 0.000 1.311 242 I CB 0.810 38.821 38.000 0.018 0.000 1.401 242 I HN -0.101 nan 8.210 nan 0.000 0.491 243 K N 3.223 123.651 120.400 0.046 0.000 2.316 243 K HA 0.287 4.607 4.320 -0.001 0.000 0.251 243 K C 0.885 177.524 176.600 0.065 0.000 0.934 243 K CA -0.473 55.829 56.287 0.025 0.000 0.802 243 K CB 2.016 34.502 32.500 -0.024 0.000 1.171 243 K HN 0.614 nan 8.250 nan 0.000 0.426 244 S N -0.128 115.595 115.700 0.040 0.000 2.474 244 S HA -0.174 4.296 4.470 -0.001 0.000 0.235 244 S C 1.728 176.222 174.600 -0.176 0.000 0.997 244 S CA 1.390 59.629 58.200 0.065 0.000 0.949 244 S CB -0.366 62.887 63.200 0.089 0.000 0.766 244 S HN 0.645 nan 8.310 nan 0.000 0.517 245 S N 1.880 117.289 115.700 -0.486 0.000 2.447 245 S HA -0.094 4.376 4.470 -0.001 0.000 0.233 245 S C 1.181 175.348 174.600 -0.721 0.000 1.006 245 S CA 0.856 58.296 58.200 -1.267 0.000 0.957 245 S CB -0.530 62.252 63.200 -0.697 0.000 0.773 245 S HN 0.439 nan 8.310 nan 0.000 0.507 246 D N 0.744 120.967 120.400 -0.295 0.000 2.310 246 D HA -0.036 4.604 4.640 -0.001 0.000 0.212 246 D C 0.638 176.754 176.300 -0.308 0.000 0.965 246 D CA 0.962 54.802 54.000 -0.267 0.000 0.879 246 D CB -0.282 40.334 40.800 -0.307 0.000 0.921 246 D HN 0.622 nan 8.370 nan 0.000 0.510 247 Y N -0.939 119.296 120.300 -0.109 0.000 2.458 247 Y HA 0.116 4.665 4.550 -0.001 0.000 0.256 247 Y C 1.489 177.526 175.900 0.229 0.000 1.159 247 Y CA -0.433 57.697 58.100 0.051 0.000 1.261 247 Y CB -0.095 38.403 38.460 0.064 0.000 1.119 247 Y HN -0.173 nan 8.280 nan 0.000 0.524 248 F N 0.019 120.098 119.950 0.215 0.000 2.250 248 F HA -0.111 4.416 4.527 -0.000 0.000 0.301 248 F C 2.301 178.257 175.800 0.261 0.000 1.077 248 F CA 1.039 59.164 58.000 0.209 0.000 1.348 248 F CB -1.244 37.829 39.000 0.122 0.000 1.040 248 F HN 0.120 nan 8.300 nan 0.000 0.509 249 G N -0.664 108.356 108.800 0.367 0.000 2.598 249 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.215 249 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.215 249 G C 1.504 176.535 174.900 0.218 0.000 1.131 249 G CA 0.465 45.732 45.100 0.278 0.000 0.785 249 G HN 0.279 nan 8.290 nan 0.000 0.539 250 N N 0.213 119.037 118.700 0.207 0.000 2.368 250 N HA 0.239 4.979 4.740 -0.001 0.000 0.178 250 N C 1.111 176.606 175.510 -0.024 0.000 1.076 250 N CA 0.976 54.078 53.050 0.086 0.000 0.889 250 N CB 1.263 39.822 38.487 0.119 0.000 1.040 250 N HN 0.431 nan 8.380 nan 0.000 0.463 251 G N -0.115 108.746 108.800 0.101 0.000 2.368 251 G HA2 0.097 4.056 3.960 -0.001 0.000 0.269 251 G HA3 0.097 4.056 3.960 -0.001 0.000 0.269 251 G C -1.301 173.792 174.900 0.322 0.000 1.291 251 G CA -0.897 44.191 45.100 -0.020 0.000 0.903 251 G HN -0.053 nan 8.290 nan 0.000 0.483 252 R N -0.941 119.687 120.500 0.213 0.000 2.649 252 R HA 0.607 4.946 4.340 -0.001 0.000 0.270 252 R C 0.061 176.480 176.300 0.199 0.000 1.105 252 R CA 0.083 56.308 56.100 0.209 0.000 1.193 252 R CB 1.186 31.571 30.300 0.142 0.000 1.120 252 R HN 1.078 nan 8.270 nan 0.000 0.561 253 V N -2.757 117.285 119.914 0.212 0.000 2.962 253 V HA 0.436 4.556 4.120 -0.001 0.000 0.313 253 V C -0.000 176.204 176.094 0.184 0.000 1.099 253 V CA -1.132 61.295 62.300 0.211 0.000 0.971 253 V CB 1.801 33.791 31.823 0.279 0.000 1.028 253 V HN 0.916 nan 8.190 nan 0.000 0.430 254 T N -0.153 114.525 114.554 0.207 0.000 2.901 254 T HA 0.469 4.819 4.350 -0.001 0.000 0.301 254 T C -0.118 174.676 174.700 0.156 0.000 1.012 254 T CA -0.013 62.212 62.100 0.210 0.000 1.135 254 T CB 1.103 70.136 68.868 0.276 0.000 0.936 254 T HN 1.021 nan 8.240 nan 0.000 0.539 255 E N 2.095 122.278 120.200 -0.028 0.000 2.167 255 E HA 0.321 4.671 4.350 -0.001 0.000 0.247 255 E C -0.404 176.008 176.600 -0.313 0.000 0.961 255 E CA -1.123 55.208 56.400 -0.114 0.000 0.797 255 E CB -0.575 29.030 29.700 -0.158 0.000 1.182 255 E HN 0.661 nan 8.360 nan 0.000 0.437 256 F N 2.270 122.146 119.950 -0.124 0.000 2.502 256 F HA 0.005 4.532 4.527 -0.000 0.000 0.298 256 F C 1.662 177.351 175.800 -0.185 0.000 1.111 256 F CA 0.795 58.718 58.000 -0.128 0.000 1.445 256 F CB 0.194 39.217 39.000 0.039 0.000 1.081 256 F HN 0.363 nan 8.300 nan 0.000 0.558 257 K N -1.102 119.239 120.400 -0.100 0.000 2.288 257 K HA -0.196 4.124 4.320 -0.001 0.000 0.201 257 K C 1.705 178.091 176.600 -0.357 0.000 1.048 257 K CA 0.933 57.132 56.287 -0.147 0.000 0.956 257 K CB -0.354 32.077 32.500 -0.116 0.000 0.746 257 K HN 0.259 nan 8.250 nan 0.000 0.461 258 Y N 1.423 121.242 120.300 -0.802 0.000 2.049 258 Y HA -0.221 4.329 4.550 -0.001 0.000 0.277 258 Y C 2.430 178.204 175.900 -0.210 0.000 1.143 258 Y CA 2.052 59.725 58.100 -0.711 0.000 1.115 258 Y CB -0.727 37.299 38.460 -0.724 0.000 0.975 258 Y HN 0.038 nan 8.280 nan 0.000 0.487 259 G N -0.701 108.059 108.800 -0.066 0.000 2.422 259 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.218 259 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.218 259 G C 1.761 176.657 174.900 -0.008 0.000 1.140 259 G CA 0.846 45.933 45.100 -0.022 0.000 0.775 259 G HN 0.624 nan 8.290 nan 0.000 0.545 260 A N 0.821 123.651 122.820 0.018 0.000 1.877 260 A HA 0.019 4.338 4.320 -0.001 0.000 0.216 260 A C 2.388 180.006 177.584 0.057 0.000 1.186 260 A CA 1.894 53.967 52.037 0.059 0.000 0.620 260 A CB -0.244 18.816 19.000 0.101 0.000 0.822 260 A HN 0.190 nan 8.150 nan 0.000 0.443 261 K N -0.653 119.814 120.400 0.112 0.000 2.103 261 K HA 0.004 4.324 4.320 -0.001 0.000 0.204 261 K C 1.823 178.412 176.600 -0.017 0.000 1.052 261 K CA 0.866 57.268 56.287 0.192 0.000 0.945 261 K CB -0.924 31.854 32.500 0.463 0.000 0.722 261 K HN 0.409 nan 8.250 nan 0.000 0.443 262 L N 0.832 121.971 121.223 -0.140 0.000 2.083 262 L HA -0.044 4.296 4.340 -0.001 0.000 0.209 262 L C 1.994 178.647 176.870 -0.362 0.000 1.083 262 L CA 2.020 56.571 54.840 -0.482 0.000 0.752 262 L CB -1.018 40.746 42.059 -0.490 0.000 0.899 262 L HN 0.238 nan 8.230 nan 0.000 0.433 263 G N -1.839 106.823 108.800 -0.228 0.000 2.402 263 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.216 263 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.216 263 G C 1.539 176.206 174.900 -0.388 0.000 1.162 263 G CA 1.255 46.195 45.100 -0.267 0.000 0.777 263 G HN 0.504 nan 8.290 nan 0.000 0.539 264 T N -1.037 113.357 114.554 -0.267 0.000 2.904 264 T HA -0.029 4.320 4.350 -0.001 0.000 0.267 264 T C 2.289 176.885 174.700 -0.172 0.000 1.059 264 T CA 1.363 63.329 62.100 -0.222 0.000 1.137 264 T CB -0.307 68.610 68.868 0.083 0.000 0.879 264 T HN 0.005 nan 8.240 nan 0.000 0.467 265 V N 1.416 121.224 119.914 -0.177 0.000 2.270 265 V HA -0.007 4.112 4.120 -0.001 0.000 0.245 265 V C 2.711 178.631 176.094 -0.291 0.000 1.043 265 V CA 1.566 63.750 62.300 -0.194 0.000 1.014 265 V CB -0.558 31.079 31.823 -0.309 0.000 0.645 265 V HN 0.483 nan 8.190 nan 0.000 0.447 266 I N -0.504 119.838 120.570 -0.380 0.000 2.394 266 I HA -0.188 3.981 4.170 -0.001 0.000 0.251 266 I C 2.553 178.487 176.117 -0.304 0.000 1.136 266 I CA 1.343 62.424 61.300 -0.365 0.000 1.425 266 I CB -0.300 37.468 38.000 -0.386 0.000 1.079 266 I HN 0.203 nan 8.210 nan 0.000 0.425 267 R N 0.898 121.164 120.500 -0.391 0.000 2.276 267 R HA 0.012 4.352 4.340 -0.001 0.000 0.203 267 R C 0.312 176.490 176.300 -0.203 0.000 1.017 267 R CA 0.197 56.035 56.100 -0.438 0.000 1.010 267 R CB 0.048 29.704 30.300 -1.073 0.000 0.900 267 R HN 0.170 nan 8.270 nan 0.000 0.469 268 K N -0.605 119.708 120.400 -0.146 0.000 3.117 268 K HA -0.152 4.167 4.320 -0.001 0.000 0.269 268 K C -1.118 175.610 176.600 0.215 0.000 1.098 268 K CA 0.285 56.575 56.287 0.005 0.000 0.785 268 K CB -0.982 31.515 32.500 -0.005 0.000 1.242 268 K HN 0.142 nan 8.250 nan 0.000 0.491 269 W N 2.376 123.665 121.300 -0.018 0.000 2.238 269 W HA 0.104 4.765 4.660 0.000 0.000 0.321 269 W C 0.997 177.526 176.519 0.018 0.000 1.293 269 W CA -0.051 57.294 57.345 0.000 0.000 1.204 269 W CB -0.289 29.174 29.460 0.004 0.000 1.167 269 W HN 0.439 nan 8.180 nan 0.000 0.553 270 N N 0.307 119.125 118.700 0.196 0.000 2.698 270 N HA -0.211 4.529 4.740 -0.001 0.000 0.258 270 N C 0.663 176.244 175.510 0.119 0.000 0.978 270 N CA 1.658 54.774 53.050 0.110 0.000 0.777 270 N CB -1.405 37.130 38.487 0.080 0.000 0.907 270 N HN 1.058 nan 8.380 nan 0.000 0.543 271 G N -2.016 106.853 108.800 0.115 0.000 2.225 271 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.254 271 G HA3 -0.365 3.594 3.960 -0.001 0.000 0.254 271 G C -0.149 174.839 174.900 0.146 0.000 0.988 271 G CA 0.353 45.524 45.100 0.118 0.000 0.625 271 G HN 0.755 nan 8.290 nan 0.000 0.527 272 E N 1.204 121.503 120.200 0.166 0.000 2.383 272 E HA 0.457 4.806 4.350 -0.001 0.000 0.264 272 E C 0.408 176.968 176.600 -0.067 0.000 1.050 272 E CA 0.486 56.992 56.400 0.176 0.000 0.896 272 E CB 0.528 30.362 29.700 0.224 0.000 0.982 272 E HN 0.679 nan 8.360 nan 0.000 0.424 273 K N 1.464 121.675 120.400 -0.315 0.000 2.508 273 K HA 0.321 4.641 4.320 -0.001 0.000 0.260 273 K C 0.400 176.785 176.600 -0.359 0.000 0.949 273 K CA -0.841 55.214 56.287 -0.386 0.000 0.834 273 K CB 1.089 33.296 32.500 -0.489 0.000 1.365 273 K HN 0.320 nan 8.250 nan 0.000 0.437 274 M N 1.190 120.605 119.600 -0.308 0.000 2.346 274 M HA -0.174 4.306 4.480 -0.001 0.000 0.263 274 M C 1.792 178.044 176.300 -0.081 0.000 1.064 274 M CA 2.057 57.181 55.300 -0.293 0.000 1.083 274 M CB -0.392 31.990 32.600 -0.363 0.000 1.399 274 M HN 0.871 nan 8.290 nan 0.000 0.435 275 S N -0.372 115.278 115.700 -0.084 0.000 2.442 275 S HA -0.156 4.314 4.470 -0.001 0.000 0.236 275 S C 1.472 176.258 174.600 0.308 0.000 1.007 275 S CA 0.830 59.123 58.200 0.156 0.000 0.965 275 S CB -0.675 62.544 63.200 0.031 0.000 0.773 275 S HN 0.450 nan 8.310 nan 0.000 0.504 276 Y N 1.619 122.005 120.300 0.143 0.000 2.509 276 Y HA 0.323 4.873 4.550 -0.001 0.000 0.293 276 Y C 1.768 177.837 175.900 0.282 0.000 1.133 276 Y CA -0.750 57.461 58.100 0.183 0.000 1.283 276 Y CB -0.797 37.794 38.460 0.219 0.000 1.001 276 Y HN 0.291 nan 8.280 nan 0.000 0.555 277 L N 0.011 121.377 121.223 0.239 0.000 2.622 277 L HA -0.102 4.237 4.340 -0.001 0.000 0.233 277 L C 2.306 179.078 176.870 -0.162 0.000 1.156 277 L CA 0.573 55.395 54.840 -0.030 0.000 0.866 277 L CB -0.373 41.440 42.059 -0.411 0.000 0.980 277 L HN 0.111 nan 8.230 nan 0.000 0.448 278 K N 1.785 121.931 120.400 -0.423 0.000 2.113 278 K HA -0.197 4.123 4.320 -0.001 0.000 0.208 278 K C 1.154 177.468 176.600 -0.477 0.000 1.047 278 K CA 1.799 57.444 56.287 -1.069 0.000 0.928 278 K CB 0.064 32.062 32.500 -0.837 0.000 0.716 278 K HN 0.440 nan 8.250 nan 0.000 0.446 279 N N -0.346 118.278 118.700 -0.126 0.000 2.389 279 N HA -0.073 4.667 4.740 -0.001 0.000 0.260 279 N C -0.652 174.893 175.510 0.059 0.000 1.191 279 N CA -0.502 52.521 53.050 -0.045 0.000 0.885 279 N CB -0.557 37.918 38.487 -0.020 0.000 1.162 279 N HN 0.249 nan 8.380 nan 0.000 0.512 280 W N 1.504 122.592 121.300 -0.355 0.000 2.314 280 W HA 0.309 4.968 4.660 -0.001 0.000 0.339 280 W C 0.490 176.625 176.519 -0.639 0.000 1.293 280 W CA 2.016 58.895 57.345 -0.778 0.000 1.288 280 W CB 0.413 29.378 29.460 -0.825 0.000 1.186 280 W HN 0.461 nan 8.180 nan 0.000 0.566 281 G N 3.969 111.970 108.800 -1.332 0.000 2.301 281 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.194 281 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.194 281 G C 0.262 174.708 174.900 -0.757 0.000 1.266 281 G CA 0.028 44.476 45.100 -1.086 0.000 1.210 281 G HN 0.445 nan 8.290 nan 0.000 0.524 282 E N 0.646 120.698 120.200 -0.246 0.000 2.209 282 E HA 0.041 4.391 4.350 -0.001 0.000 0.196 282 E C 2.494 178.986 176.600 -0.180 0.000 0.993 282 E CA 1.734 58.072 56.400 -0.104 0.000 0.819 282 E CB -0.515 29.205 29.700 0.034 0.000 0.745 282 E HN 0.837 nan 8.360 nan 0.000 0.477 283 G N -0.408 108.285 108.800 -0.178 0.000 2.501 283 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.220 283 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.220 283 G C 0.493 175.270 174.900 -0.204 0.000 1.114 283 G CA 0.407 45.426 45.100 -0.136 0.000 0.757 283 G HN 0.268 nan 8.290 nan 0.000 0.559 284 W N -0.226 120.663 121.300 -0.685 0.000 3.316 284 W HA 0.446 5.106 4.660 -0.001 0.000 0.327 284 W C 1.591 177.727 176.519 -0.637 0.000 1.232 284 W CA -0.279 56.589 57.345 -0.795 0.000 1.805 284 W CB 0.124 28.750 29.460 -1.391 0.000 1.090 284 W HN 0.296 nan 8.180 nan 0.000 0.654 285 G N -0.455 108.193 108.800 -0.254 0.000 2.132 285 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.234 285 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.234 285 G C -0.025 174.971 174.900 0.160 0.000 0.989 285 G CA -0.551 44.521 45.100 -0.047 0.000 0.676 285 G HN -0.017 nan 8.290 nan 0.000 0.522 286 F N 0.201 120.109 119.950 -0.069 0.000 2.375 286 F HA 0.632 5.159 4.527 -0.001 0.000 0.313 286 F C 1.448 177.309 175.800 0.102 0.000 1.176 286 F CA -1.389 56.586 58.000 -0.043 0.000 1.142 286 F CB 0.352 39.190 39.000 -0.270 0.000 1.275 286 F HN 0.328 nan 8.300 nan 0.000 0.544 287 V N -0.494 119.662 119.914 0.403 0.000 3.237 287 V HA 0.291 4.410 4.120 -0.001 0.000 0.305 287 V C -2.500 173.770 176.094 0.293 0.000 1.096 287 V CA -1.832 60.693 62.300 0.375 0.000 1.130 287 V CB -0.383 31.698 31.823 0.430 0.000 1.048 287 V HN 0.507 nan 8.190 nan 0.000 0.484 288 P HA 0.066 nan 4.420 nan 0.000 0.266 288 P C 0.968 178.196 177.300 -0.120 0.000 1.195 288 P CA 0.614 63.711 63.100 -0.005 0.000 0.768 288 P CB 0.684 32.289 31.700 -0.158 0.000 0.838 289 S N 2.280 117.875 115.700 -0.174 0.000 2.383 289 S HA -0.191 4.279 4.470 -0.001 0.000 0.229 289 S C 1.276 175.654 174.600 -0.371 0.000 1.030 289 S CA 1.904 59.788 58.200 -0.527 0.000 1.002 289 S CB -0.904 62.076 63.200 -0.367 0.000 0.829 289 S HN 0.621 nan 8.310 nan 0.000 0.467 290 D N -0.351 119.893 120.400 -0.260 0.000 2.363 290 D HA -0.007 4.632 4.640 -0.001 0.000 0.226 290 D C 1.309 177.457 176.300 -0.254 0.000 1.020 290 D CA 0.255 54.117 54.000 -0.229 0.000 0.892 290 D CB -0.212 40.456 40.800 -0.220 0.000 0.900 290 D HN 0.278 nan 8.370 nan 0.000 0.531 291 R N -0.269 120.055 120.500 -0.293 0.000 2.549 291 R HA 0.433 4.772 4.340 -0.001 0.000 0.344 291 R C -0.058 176.186 176.300 -0.095 0.000 0.979 291 R CA -0.187 55.755 56.100 -0.263 0.000 1.140 291 R CB 0.891 30.770 30.300 -0.702 0.000 1.377 291 R HN 0.171 nan 8.270 nan 0.000 0.541 292 A N 1.589 124.326 122.820 -0.139 0.000 2.312 292 A HA 0.559 4.879 4.320 -0.001 0.000 0.326 292 A C -0.641 176.910 177.584 -0.055 0.000 1.172 292 A CA -0.440 51.539 52.037 -0.097 0.000 0.821 292 A CB 0.971 19.828 19.000 -0.239 0.000 1.166 292 A HN 0.108 nan 8.150 nan 0.000 0.493 293 L N 4.835 126.053 121.223 -0.008 0.000 2.316 293 L HA 0.635 4.974 4.340 -0.001 0.000 0.280 293 L C -0.440 176.412 176.870 -0.030 0.000 1.006 293 L CA -0.374 54.471 54.840 0.008 0.000 0.836 293 L CB 0.879 42.920 42.059 -0.029 0.000 1.221 293 L HN 0.696 nan 8.230 nan 0.000 0.418 294 V N 3.021 122.842 119.914 -0.154 0.000 2.994 294 V HA 0.855 4.974 4.120 -0.001 0.000 0.318 294 V C -0.707 175.268 176.094 -0.198 0.000 1.085 294 V CA -0.620 61.402 62.300 -0.463 0.000 0.998 294 V CB 1.914 33.136 31.823 -1.001 0.000 1.063 294 V HN 0.732 nan 8.190 nan 0.000 0.447 295 F N -1.078 118.654 119.950 -0.363 0.000 2.769 295 F HA 0.737 5.263 4.527 -0.001 0.000 0.313 295 F C -0.056 175.750 175.800 0.009 0.000 1.146 295 F CA -0.859 57.044 58.000 -0.163 0.000 0.934 295 F CB 0.614 39.521 39.000 -0.155 0.000 1.283 295 F HN 0.252 nan 8.300 nan 0.000 0.443 296 V N 0.075 120.110 119.914 0.200 0.000 2.331 296 V HA 0.038 4.158 4.120 -0.001 0.000 0.242 296 V C 0.189 176.454 176.094 0.284 0.000 1.034 296 V CA 1.991 64.405 62.300 0.191 0.000 1.027 296 V CB -0.454 31.451 31.823 0.137 0.000 0.667 296 V HN 0.916 nan 8.190 nan 0.000 0.457 297 D N -0.789 119.855 120.400 0.407 0.000 2.581 297 D HA 0.481 5.120 4.640 -0.001 0.000 0.232 297 D C -0.742 175.748 176.300 0.316 0.000 1.143 297 D CA -0.207 54.015 54.000 0.370 0.000 0.881 297 D CB 2.228 43.197 40.800 0.282 0.000 1.500 297 D HN 0.287 nan 8.370 nan 0.000 0.458 298 S N -1.177 114.610 115.700 0.146 0.000 2.671 298 S HA 0.296 4.766 4.470 -0.001 0.000 0.299 298 S C 1.304 175.785 174.600 -0.197 0.000 1.116 298 S CA -0.648 57.480 58.200 -0.119 0.000 0.912 298 S CB 1.297 64.277 63.200 -0.366 0.000 1.130 298 S HN 0.727 nan 8.310 nan 0.000 0.501 299 H N 1.072 119.937 119.070 -0.342 0.000 2.422 299 H HA -0.100 4.456 4.556 -0.000 0.000 0.298 299 H C 0.744 175.642 175.328 -0.716 0.000 1.098 299 H CA 1.956 57.535 56.048 -0.783 0.000 1.315 299 H CB -0.656 28.295 29.762 -1.352 0.000 1.382 299 H HN 0.781 nan 8.280 nan 0.000 0.523 300 D N 0.688 120.350 120.400 -1.229 0.000 2.340 300 D HA -0.097 4.543 4.640 -0.001 0.000 0.220 300 D C 1.029 177.179 176.300 -0.249 0.000 1.039 300 D CA 0.560 54.087 54.000 -0.788 0.000 0.866 300 D CB -0.447 39.958 40.800 -0.658 0.000 0.913 300 D HN 0.585 nan 8.370 nan 0.000 0.523 301 N N 0.244 118.871 118.700 -0.121 0.000 2.143 301 N HA -0.097 4.642 4.740 -0.001 0.000 0.222 301 N C 1.235 176.801 175.510 0.093 0.000 1.264 301 N CA 0.034 53.129 53.050 0.075 0.000 0.897 301 N CB -0.487 38.135 38.487 0.226 0.000 1.092 301 N HN 0.327 nan 8.380 nan 0.000 0.516 302 Q N 0.129 119.941 119.800 0.020 0.000 2.444 302 Q HA 0.167 4.507 4.340 -0.001 0.000 0.206 302 Q C 0.613 176.741 176.000 0.215 0.000 0.948 302 Q CA 0.359 56.232 55.803 0.116 0.000 0.946 302 Q CB -0.032 28.767 28.738 0.101 0.000 1.027 302 Q HN 0.203 nan 8.270 nan 0.000 0.513 303 R N -0.177 120.403 120.500 0.133 0.000 2.509 303 R HA 0.226 4.566 4.340 -0.001 0.000 0.300 303 R C 0.647 177.110 176.300 0.271 0.000 0.985 303 R CA 0.329 56.561 56.100 0.221 0.000 1.092 303 R CB 0.832 31.153 30.300 0.035 0.000 1.237 303 R HN 0.453 nan 8.270 nan 0.000 0.546 304 G N 0.881 109.824 108.800 0.238 0.000 2.196 304 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.268 304 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.268 304 G C 0.448 175.460 174.900 0.186 0.000 0.975 304 G CA 0.547 45.775 45.100 0.214 0.000 0.648 304 G HN 0.521 nan 8.290 nan 0.000 0.538 305 H N 1.072 120.205 119.070 0.106 0.000 2.645 305 H HA 0.464 5.020 4.556 -0.000 0.000 0.300 305 H C 1.094 176.455 175.328 0.054 0.000 1.065 305 H CA 1.640 57.749 56.048 0.102 0.000 1.173 305 H CB -0.441 29.412 29.762 0.150 0.000 1.383 305 H HN 0.842 nan 8.280 nan 0.000 0.566 306 G N -1.173 107.712 108.800 0.141 0.000 2.427 306 G HA2 0.376 4.336 3.960 -0.001 0.000 0.306 306 G HA3 0.376 4.336 3.960 -0.001 0.000 0.306 306 G C -1.268 173.657 174.900 0.041 0.000 1.280 306 G CA -0.310 44.834 45.100 0.073 0.000 0.837 306 G HN 0.333 nan 8.290 nan 0.000 0.482 307 A N -0.761 122.046 122.820 -0.023 0.000 2.561 307 A HA 0.533 4.853 4.320 -0.001 0.000 0.251 307 A C 1.583 179.243 177.584 0.126 0.000 1.062 307 A CA 1.896 53.929 52.037 -0.007 0.000 0.761 307 A CB -0.616 18.290 19.000 -0.157 0.000 0.986 307 A HN 2.807 nan 8.150 nan 0.000 0.510 308 G N 1.544 110.406 108.800 0.104 0.000 2.278 308 G HA2 0.160 4.119 3.960 -0.001 0.000 0.210 308 G HA3 0.160 4.119 3.960 -0.001 0.000 0.210 308 G C 1.759 176.740 174.900 0.135 0.000 1.000 308 G CA 0.772 45.950 45.100 0.130 0.000 0.635 308 G HN 2.772 nan 8.290 nan 0.000 0.495 309 G N 0.675 109.549 108.800 0.123 0.000 2.651 309 G HA2 0.047 4.007 3.960 -0.001 0.000 0.315 309 G HA3 0.047 4.007 3.960 -0.001 0.000 0.315 309 G C 1.592 176.594 174.900 0.171 0.000 1.258 309 G CA 2.707 47.888 45.100 0.134 0.000 1.002 309 G HN 2.006 nan 8.290 nan 0.000 0.551 310 A N -0.033 122.916 122.820 0.214 0.000 2.167 310 A HA 0.344 4.664 4.320 -0.001 0.000 0.214 310 A C 2.622 180.370 177.584 0.273 0.000 1.151 310 A CA 2.577 54.778 52.037 0.273 0.000 0.735 310 A CB -0.586 18.605 19.000 0.317 0.000 0.802 310 A HN 1.965 nan 8.150 nan 0.000 0.467 311 S N -0.123 115.695 115.700 0.196 0.000 2.428 311 S HA 0.056 4.526 4.470 -0.001 0.000 0.230 311 S C 0.829 175.333 174.600 -0.160 0.000 1.014 311 S CA -0.060 58.038 58.200 -0.170 0.000 0.957 311 S CB -0.484 62.692 63.200 -0.039 0.000 0.784 311 S HN 0.280 nan 8.310 nan 0.000 0.499 312 I N 3.061 123.636 120.570 0.008 0.000 2.821 312 I HA 0.056 4.226 4.170 -0.001 0.000 0.294 312 I C 0.331 176.471 176.117 0.039 0.000 1.210 312 I CA 0.105 61.435 61.300 0.050 0.000 1.430 312 I CB -0.717 37.359 38.000 0.125 0.000 1.356 312 I HN 0.344 nan 8.210 nan 0.000 0.563 313 L N 7.013 128.278 121.223 0.070 0.000 2.325 313 L HA 0.475 4.815 4.340 -0.001 0.000 0.279 313 L C 0.634 177.600 176.870 0.160 0.000 1.054 313 L CA -0.256 54.658 54.840 0.122 0.000 0.804 313 L CB 1.615 43.779 42.059 0.175 0.000 1.200 313 L HN 0.798 nan 8.230 nan 0.000 0.436 314 T N -1.946 112.559 114.554 -0.081 0.000 2.696 314 T HA 0.325 4.675 4.350 -0.001 0.000 0.291 314 T C 0.755 174.922 174.700 -0.887 0.000 1.095 314 T CA -0.620 61.161 62.100 -0.531 0.000 1.026 314 T CB 0.714 69.454 68.868 -0.213 0.000 1.390 314 T HN 0.421 nan 8.240 nan 0.000 0.513 315 F N -1.056 118.342 119.950 -0.920 0.000 2.307 315 F HA 0.150 4.677 4.527 -0.000 0.000 0.301 315 F C 1.664 177.374 175.800 -0.150 0.000 1.076 315 F CA 0.117 57.828 58.000 -0.482 0.000 1.383 315 F CB -1.030 37.743 39.000 -0.377 0.000 1.055 315 F HN 0.551 nan 8.300 nan 0.000 0.526 316 W N 1.489 122.358 121.300 -0.717 0.000 2.392 316 W HA -0.092 4.568 4.660 0.000 0.000 0.279 316 W C 0.759 177.196 176.519 -0.136 0.000 1.225 316 W CA 0.847 57.929 57.345 -0.438 0.000 1.233 316 W CB -0.190 28.958 29.460 -0.520 0.000 1.122 316 W HN -0.016 nan 8.180 nan 0.000 0.561 317 D N 0.005 120.470 120.400 0.109 0.000 3.163 317 D HA 0.247 4.887 4.640 -0.001 0.000 0.284 317 D C 1.489 177.916 176.300 0.211 0.000 1.368 317 D CA 0.261 54.340 54.000 0.132 0.000 0.895 317 D CB 0.165 41.020 40.800 0.092 0.000 1.061 317 D HN 0.017 nan 8.370 nan 0.000 0.496 318 A N 1.341 124.313 122.820 0.252 0.000 1.906 318 A HA -0.345 3.975 4.320 -0.001 0.000 0.222 318 A C 2.195 179.970 177.584 0.318 0.000 1.282 318 A CA 1.931 54.184 52.037 0.359 0.000 0.675 318 A CB -0.456 18.653 19.000 0.183 0.000 0.838 318 A HN 0.340 nan 8.150 nan 0.000 0.469 319 R N -0.595 120.017 120.500 0.187 0.000 2.080 319 R HA -0.091 4.248 4.340 -0.001 0.000 0.236 319 R C 2.139 178.526 176.300 0.144 0.000 1.137 319 R CA 1.940 58.133 56.100 0.154 0.000 0.943 319 R CB -0.424 29.933 30.300 0.096 0.000 0.846 319 R HN 0.565 nan 8.270 nan 0.000 0.431 320 L N -0.678 120.610 121.223 0.109 0.000 2.156 320 L HA -0.153 4.186 4.340 -0.001 0.000 0.208 320 L C 2.293 179.207 176.870 0.074 0.000 1.095 320 L CA 0.864 55.726 54.840 0.036 0.000 0.770 320 L CB -0.546 41.509 42.059 -0.006 0.000 0.914 320 L HN 0.297 nan 8.230 nan 0.000 0.439 321 Y N 1.392 121.728 120.300 0.059 0.000 2.145 321 Y HA -0.252 4.297 4.550 -0.000 0.000 0.286 321 Y C 2.544 178.514 175.900 0.115 0.000 1.145 321 Y CA 1.534 59.690 58.100 0.093 0.000 1.148 321 Y CB -0.127 38.446 38.460 0.188 0.000 0.981 321 Y HN -0.016 nan 8.280 nan 0.000 0.507 322 K N -0.492 120.021 120.400 0.188 0.000 2.097 322 K HA -0.232 4.088 4.320 -0.001 0.000 0.206 322 K C 2.265 178.822 176.600 -0.071 0.000 1.049 322 K CA 1.829 58.214 56.287 0.163 0.000 0.933 322 K CB -0.267 32.480 32.500 0.412 0.000 0.717 322 K HN 0.402 nan 8.250 nan 0.000 0.442 323 M N 0.238 119.687 119.600 -0.251 0.000 2.175 323 M HA -0.130 4.350 4.480 -0.001 0.000 0.264 323 M C 2.075 178.137 176.300 -0.396 0.000 1.063 323 M CA 1.471 56.376 55.300 -0.658 0.000 1.119 323 M CB 0.005 32.334 32.600 -0.452 0.000 1.377 323 M HN 0.176 nan 8.290 nan 0.000 0.415 324 A N -0.655 121.993 122.820 -0.287 0.000 1.898 324 A HA -0.097 4.223 4.320 -0.001 0.000 0.216 324 A C 2.011 179.504 177.584 -0.152 0.000 1.181 324 A CA 1.727 53.615 52.037 -0.247 0.000 0.620 324 A CB -1.046 17.830 19.000 -0.206 0.000 0.819 324 A HN 0.378 nan 8.150 nan 0.000 0.442 325 V N -0.036 119.739 119.914 -0.231 0.000 2.427 325 V HA -0.161 3.959 4.120 -0.001 0.000 0.248 325 V C 2.779 178.851 176.094 -0.038 0.000 1.051 325 V CA 1.856 64.054 62.300 -0.169 0.000 1.048 325 V CB -1.372 30.275 31.823 -0.294 0.000 0.666 325 V HN 0.612 nan 8.190 nan 0.000 0.456 326 G N -0.889 107.896 108.800 -0.025 0.000 2.418 326 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.217 326 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.217 326 G C 1.560 176.537 174.900 0.129 0.000 1.158 326 G CA 0.939 46.083 45.100 0.073 0.000 0.771 326 G HN 0.479 nan 8.290 nan 0.000 0.545 327 F N 0.960 120.912 119.950 0.003 0.000 2.102 327 F HA -0.018 4.508 4.527 -0.000 0.000 0.298 327 F C 2.650 178.518 175.800 0.114 0.000 1.105 327 F CA 2.095 60.103 58.000 0.013 0.000 1.239 327 F CB -0.138 38.588 39.000 -0.457 0.000 0.991 327 F HN 0.160 nan 8.300 nan 0.000 0.474 328 M N 0.028 119.739 119.600 0.185 0.000 2.065 328 M HA -0.239 4.241 4.480 -0.001 0.000 0.259 328 M C 2.034 178.404 176.300 0.116 0.000 1.069 328 M CA 2.013 57.454 55.300 0.235 0.000 1.110 328 M CB -0.512 32.238 32.600 0.249 0.000 1.328 328 M HN 0.302 nan 8.290 nan 0.000 0.405 329 L N 0.031 121.282 121.223 0.048 0.000 2.191 329 L HA -0.127 4.212 4.340 -0.001 0.000 0.212 329 L C 2.625 179.533 176.870 0.063 0.000 1.103 329 L CA 0.948 55.801 54.840 0.021 0.000 0.769 329 L CB -0.798 41.253 42.059 -0.014 0.000 0.908 329 L HN 0.455 nan 8.230 nan 0.000 0.438 330 A N -2.044 120.785 122.820 0.016 0.000 1.975 330 A HA -0.083 4.237 4.320 -0.001 0.000 0.215 330 A C 1.219 179.017 177.584 0.357 0.000 1.170 330 A CA 0.245 52.338 52.037 0.093 0.000 0.656 330 A CB -0.372 18.509 19.000 -0.198 0.000 0.821 330 A HN 0.298 nan 8.150 nan 0.000 0.449 331 H N 0.993 120.125 119.070 0.104 0.000 2.683 331 H HA 0.159 4.715 4.556 -0.000 0.000 0.339 331 H C -1.647 173.748 175.328 0.111 0.000 1.081 331 H CA -1.309 54.749 56.048 0.017 0.000 1.432 331 H CB 1.440 31.029 29.762 -0.288 0.000 1.462 331 H HN 0.110 nan 8.280 nan 0.000 0.557 332 P HA -0.156 nan 4.420 nan 0.000 0.226 332 P C 0.267 177.678 177.300 0.186 0.000 1.153 332 P CA 0.627 63.762 63.100 0.058 0.000 0.777 332 P CB -0.123 31.556 31.700 -0.034 0.000 0.794 333 Y N 2.233 122.727 120.300 0.324 0.000 2.526 333 Y HA 0.333 4.883 4.550 -0.001 0.000 0.330 333 Y C 1.277 177.223 175.900 0.077 0.000 1.156 333 Y CA 1.273 59.492 58.100 0.197 0.000 1.419 333 Y CB -0.256 38.326 38.460 0.203 0.000 1.250 333 Y HN 0.314 nan 8.280 nan 0.000 0.540 334 G N 4.545 112.980 108.800 -0.609 0.000 2.806 334 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.236 334 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.236 334 G C -1.344 173.480 174.900 -0.128 0.000 1.387 334 G CA -0.174 44.650 45.100 -0.461 0.000 0.884 334 G HN 0.928 nan 8.290 nan 0.000 0.560 335 F N 1.837 121.652 119.950 -0.225 0.000 2.427 335 F HA 0.637 5.164 4.527 -0.001 0.000 0.346 335 F C 1.129 176.829 175.800 -0.166 0.000 1.120 335 F CA 0.025 57.924 58.000 -0.169 0.000 1.033 335 F CB 1.598 40.507 39.000 -0.152 0.000 1.126 335 F HN 0.835 nan 8.300 nan 0.000 0.462 336 T N 3.897 118.055 114.554 -0.661 0.000 2.817 336 T HA 0.391 4.741 4.350 -0.001 0.000 0.293 336 T C -0.297 174.163 174.700 -0.399 0.000 0.964 336 T CA -0.836 61.001 62.100 -0.439 0.000 1.085 336 T CB 1.187 69.859 68.868 -0.327 0.000 0.921 336 T HN 0.785 nan 8.240 nan 0.000 0.502 337 R N 2.599 123.002 120.500 -0.161 0.000 2.393 337 R HA 0.580 4.920 4.340 -0.001 0.000 0.315 337 R C -1.379 174.926 176.300 0.008 0.000 0.952 337 R CA -0.695 55.357 56.100 -0.080 0.000 0.842 337 R CB 1.217 31.466 30.300 -0.085 0.000 1.163 337 R HN 0.606 nan 8.270 nan 0.000 0.450 338 V N 5.601 125.535 119.914 0.034 0.000 2.481 338 V HA 0.317 4.436 4.120 -0.001 0.000 0.286 338 V C 0.238 176.395 176.094 0.105 0.000 1.042 338 V CA -0.699 61.653 62.300 0.086 0.000 0.928 338 V CB 1.503 33.409 31.823 0.138 0.000 0.986 338 V HN 0.796 nan 8.190 nan 0.000 0.462 339 M N 3.887 123.566 119.600 0.131 0.000 2.314 339 M HA 0.526 5.006 4.480 -0.001 0.000 0.342 339 M C -0.161 176.180 176.300 0.067 0.000 1.171 339 M CA 0.562 55.935 55.300 0.121 0.000 1.098 339 M CB 1.547 34.248 32.600 0.168 0.000 1.559 339 M HN 0.626 nan 8.290 nan 0.000 0.459 340 S N 2.384 118.093 115.700 0.016 0.000 2.776 340 S HA 0.746 5.216 4.470 -0.001 0.000 0.284 340 S C -1.260 173.412 174.600 0.120 0.000 1.160 340 S CA -0.634 57.584 58.200 0.030 0.000 1.051 340 S CB 0.539 63.679 63.200 -0.099 0.000 1.037 340 S HN 0.838 nan 8.310 nan 0.000 0.485 341 S N 3.004 118.752 115.700 0.081 0.000 2.786 341 S HA 0.822 5.292 4.470 -0.001 0.000 0.307 341 S C -1.230 173.463 174.600 0.156 0.000 1.121 341 S CA -0.762 57.501 58.200 0.105 0.000 0.975 341 S CB 0.624 63.805 63.200 -0.031 0.000 1.220 341 S HN 0.790 nan 8.310 nan 0.000 0.550 342 Y N -1.012 119.367 120.300 0.131 0.000 2.536 342 Y HA 0.755 5.305 4.550 -0.001 0.000 0.347 342 Y C -0.513 175.410 175.900 0.038 0.000 1.000 342 Y CA -1.464 56.597 58.100 -0.066 0.000 1.051 342 Y CB 0.717 38.975 38.460 -0.336 0.000 1.259 342 Y HN 0.410 nan 8.280 nan 0.000 0.468 343 R N 1.762 122.348 120.500 0.143 0.000 2.441 343 R HA 0.417 4.756 4.340 -0.001 0.000 0.284 343 R C -1.424 175.185 176.300 0.515 0.000 1.070 343 R CA -0.294 55.939 56.100 0.221 0.000 1.047 343 R CB 0.743 31.064 30.300 0.035 0.000 1.016 343 R HN 0.943 nan 8.270 nan 0.000 0.477 344 W N 2.085 123.639 121.300 0.423 0.000 2.962 344 W HA 0.491 5.150 4.660 -0.001 0.000 0.341 344 W C -2.529 174.146 176.519 0.259 0.000 1.155 344 W CA -2.689 54.824 57.345 0.279 0.000 1.165 344 W CB 0.404 30.015 29.460 0.252 0.000 1.435 344 W HN 0.317 nan 8.180 nan 0.000 0.546 345 P HA 0.115 nan 4.420 nan 0.000 0.256 345 P C -0.267 176.975 177.300 -0.097 0.000 1.688 345 P CA 0.048 63.156 63.100 0.014 0.000 1.162 345 P CB 0.240 31.971 31.700 0.052 0.000 1.870 346 R N 2.313 122.557 120.500 -0.427 0.000 2.522 346 R HA 0.059 4.399 4.340 -0.001 0.000 0.284 346 R C 0.554 176.658 176.300 -0.327 0.000 1.032 346 R CA 0.502 56.304 56.100 -0.496 0.000 1.049 346 R CB 0.382 30.124 30.300 -0.930 0.000 0.956 346 R HN 0.510 nan 8.270 nan 0.000 0.422 347 Q N 3.988 123.609 119.800 -0.297 0.000 2.891 347 Q HA 0.196 4.536 4.340 -0.001 0.000 0.242 347 Q C -1.367 174.533 176.000 -0.166 0.000 0.959 347 Q CA -0.406 55.311 55.803 -0.144 0.000 0.707 347 Q CB 0.558 29.278 28.738 -0.030 0.000 1.283 347 Q HN 0.387 nan 8.270 nan 0.000 0.480 348 F N 1.785 121.720 119.950 -0.025 0.000 2.471 348 F HA 0.237 4.763 4.527 -0.001 0.000 0.353 348 F C 0.585 176.394 175.800 0.014 0.000 1.113 348 F CA 0.612 58.609 58.000 -0.005 0.000 1.262 348 F CB 0.876 39.853 39.000 -0.039 0.000 1.146 348 F HN 0.373 nan 8.300 nan 0.000 0.578 349 Q N 2.408 122.340 119.800 0.220 0.000 2.263 349 Q HA 0.208 4.548 4.340 -0.001 0.000 0.262 349 Q C -0.725 175.354 176.000 0.131 0.000 0.984 349 Q CA -0.965 54.922 55.803 0.140 0.000 0.813 349 Q CB 1.889 30.687 28.738 0.100 0.000 1.299 349 Q HN 0.628 nan 8.270 nan 0.000 0.428 350 N N 1.158 119.916 118.700 0.097 0.000 2.721 350 N HA -0.250 4.490 4.740 -0.001 0.000 0.249 350 N C 0.632 176.194 175.510 0.087 0.000 1.072 350 N CA 1.678 54.771 53.050 0.072 0.000 0.710 350 N CB -1.099 37.423 38.487 0.058 0.000 0.993 350 N HN 1.164 nan 8.380 nan 0.000 0.547 351 G N -1.867 107.003 108.800 0.117 0.000 2.176 351 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.253 351 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.253 351 G C -0.059 174.999 174.900 0.262 0.000 0.979 351 G CA 0.470 45.645 45.100 0.124 0.000 0.641 351 G HN 0.605 nan 8.290 nan 0.000 0.530 352 N N 0.243 119.118 118.700 0.291 0.000 2.238 352 N HA 0.512 5.251 4.740 -0.001 0.000 0.302 352 N C -1.476 174.128 175.510 0.157 0.000 1.072 352 N CA -0.652 52.558 53.050 0.267 0.000 0.792 352 N CB 1.735 40.310 38.487 0.147 0.000 1.425 352 N HN 0.159 nan 8.380 nan 0.000 0.478 353 D N 0.956 121.311 120.400 -0.076 0.000 2.336 353 D HA 0.052 4.692 4.640 -0.001 0.000 0.249 353 D C 1.058 177.335 176.300 -0.037 0.000 1.213 353 D CA -0.613 53.148 54.000 -0.399 0.000 0.870 353 D CB 0.904 41.329 40.800 -0.626 0.000 1.076 353 D HN 0.375 nan 8.370 nan 0.000 0.483 354 V N 1.817 121.743 119.914 0.020 0.000 3.217 354 V HA 0.071 4.191 4.120 -0.001 0.000 0.264 354 V C 0.654 176.919 176.094 0.283 0.000 1.135 354 V CA 0.709 63.113 62.300 0.172 0.000 1.142 354 V CB -0.471 31.453 31.823 0.169 0.000 0.754 354 V HN 0.400 nan 8.190 nan 0.000 0.484 355 N N 1.893 120.666 118.700 0.121 0.000 2.321 355 N HA 0.081 4.820 4.740 -0.001 0.000 0.242 355 N C 0.816 176.209 175.510 -0.194 0.000 1.141 355 N CA 0.704 53.693 53.050 -0.102 0.000 0.864 355 N CB 0.199 38.660 38.487 -0.043 0.000 1.100 355 N HN 0.787 nan 8.380 nan 0.000 0.510 356 D N -0.366 120.075 120.400 0.069 0.000 2.378 356 D HA -0.131 4.509 4.640 -0.001 0.000 0.227 356 D C 1.445 177.920 176.300 0.291 0.000 1.012 356 D CA 0.128 54.192 54.000 0.107 0.000 0.905 356 D CB -0.372 40.625 40.800 0.328 0.000 0.895 356 D HN 0.499 nan 8.370 nan 0.000 0.532 357 W N 0.758 122.288 121.300 0.385 0.000 2.942 357 W HA 0.284 4.943 4.660 -0.001 0.000 0.263 357 W C -0.189 176.470 176.519 0.233 0.000 1.296 357 W CA -0.590 56.994 57.345 0.399 0.000 1.504 357 W CB -0.668 29.006 29.460 0.357 0.000 1.096 357 W HN -0.310 nan 8.180 nan 0.000 0.639 358 V N 3.581 123.070 119.914 -0.707 0.000 2.625 358 V HA 0.101 4.220 4.120 -0.001 0.000 0.305 358 V C 1.455 177.573 176.094 0.040 0.000 1.055 358 V CA 1.023 62.982 62.300 -0.569 0.000 1.209 358 V CB -0.523 30.993 31.823 -0.512 0.000 0.877 358 V HN 0.179 nan 8.190 nan 0.000 0.489 359 G N 6.745 115.562 108.800 0.028 0.000 2.553 359 G HA2 0.453 4.412 3.960 -0.001 0.000 0.278 359 G HA3 0.453 4.412 3.960 -0.001 0.000 0.278 359 G C -2.252 172.379 174.900 -0.448 0.000 1.349 359 G CA -0.997 44.085 45.100 -0.030 0.000 1.037 359 G HN 0.652 nan 8.290 nan 0.000 0.508 360 P HA 0.162 nan 4.420 nan 0.000 0.271 360 P C -2.656 174.132 177.300 -0.854 0.000 1.233 360 P CA -0.914 61.333 63.100 -1.422 0.000 0.789 360 P CB -0.138 31.058 31.700 -0.841 0.000 0.951 361 P HA 0.058 nan 4.420 nan 0.000 0.262 361 P C -0.369 176.742 177.300 -0.316 0.000 1.182 361 P CA 0.711 63.472 63.100 -0.566 0.000 0.761 361 P CB -0.138 31.110 31.700 -0.753 0.000 0.795 362 N N 0.678 119.283 118.700 -0.159 0.000 2.825 362 N HA 0.376 5.116 4.740 -0.001 0.000 0.253 362 N C -1.574 173.937 175.510 0.001 0.000 1.426 362 N CA -1.062 51.953 53.050 -0.057 0.000 0.851 362 N CB 1.189 39.665 38.487 -0.019 0.000 1.470 362 N HN 0.085 nan 8.380 nan 0.000 0.517 363 N N 0.357 119.072 118.700 0.026 0.000 2.569 363 N HA 0.365 5.105 4.740 -0.001 0.000 0.254 363 N C -1.126 174.429 175.510 0.074 0.000 1.004 363 N CA -0.762 52.309 53.050 0.034 0.000 0.904 363 N CB 0.636 39.133 38.487 0.016 0.000 1.165 363 N HN 0.564 nan 8.380 nan 0.000 0.513 364 N N 1.961 120.723 118.700 0.103 0.000 2.735 364 N HA -0.217 4.523 4.740 -0.001 0.000 0.248 364 N C 0.852 176.557 175.510 0.326 0.000 1.083 364 N CA 1.309 54.457 53.050 0.163 0.000 0.703 364 N CB -1.098 37.445 38.487 0.093 0.000 1.005 364 N HN 1.016 nan 8.380 nan 0.000 0.550 365 G N -2.406 106.626 108.800 0.388 0.000 2.217 365 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.246 365 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.246 365 G C 0.007 174.922 174.900 0.027 0.000 0.990 365 G CA 0.207 45.418 45.100 0.185 0.000 0.627 365 G HN 0.455 nan 8.290 nan 0.000 0.522 366 V N 3.057 123.000 119.914 0.048 0.000 2.389 366 V HA 0.408 4.528 4.120 -0.001 0.000 0.264 366 V C 1.293 177.374 176.094 -0.021 0.000 1.049 366 V CA -0.644 61.656 62.300 0.001 0.000 0.932 366 V CB 1.075 32.907 31.823 0.015 0.000 1.011 366 V HN 0.348 nan 8.190 nan 0.000 0.475 367 I N 5.105 125.644 120.570 -0.052 0.000 2.752 367 I HA 0.002 4.172 4.170 -0.001 0.000 0.289 367 I C 0.968 177.091 176.117 0.010 0.000 1.197 367 I CA 0.350 61.626 61.300 -0.040 0.000 1.432 367 I CB 0.135 38.111 38.000 -0.039 0.000 1.359 367 I HN 0.580 nan 8.210 nan 0.000 0.571 368 K N 6.081 126.509 120.400 0.046 0.000 2.258 368 K HA 0.116 4.436 4.320 -0.001 0.000 0.264 368 K C 0.173 176.868 176.600 0.159 0.000 1.007 368 K CA -0.460 55.878 56.287 0.085 0.000 0.941 368 K CB 0.599 33.134 32.500 0.058 0.000 0.966 368 K HN 0.595 nan 8.250 nan 0.000 0.480 369 E N 0.358 120.582 120.200 0.039 0.000 2.374 369 E HA 0.125 4.475 4.350 -0.001 0.000 0.260 369 E C -0.785 175.717 176.600 -0.164 0.000 1.101 369 E CA -0.796 55.542 56.400 -0.102 0.000 0.907 369 E CB 0.730 30.373 29.700 -0.095 0.000 1.014 369 E HN 0.052 nan 8.360 nan 0.000 0.427 370 V N 2.798 122.380 119.914 -0.553 0.000 2.408 370 V HA 0.167 4.287 4.120 -0.001 0.000 0.267 370 V C 0.231 176.132 176.094 -0.321 0.000 1.047 370 V CA -0.183 61.664 62.300 -0.754 0.000 0.937 370 V CB 0.462 31.427 31.823 -1.429 0.000 0.999 370 V HN 0.835 nan 8.190 nan 0.000 0.472 371 T N 3.431 117.905 114.554 -0.134 0.000 2.829 371 T HA 0.727 5.076 4.350 -0.001 0.000 0.282 371 T C -0.631 174.039 174.700 -0.051 0.000 0.990 371 T CA -0.671 61.389 62.100 -0.068 0.000 1.028 371 T CB 1.402 70.261 68.868 -0.016 0.000 0.951 371 T HN 0.175 nan 8.240 nan 0.000 0.460 372 I N 3.935 124.480 120.570 -0.042 0.000 2.321 372 I HA 0.316 4.485 4.170 -0.001 0.000 0.291 372 I C 0.477 176.590 176.117 -0.006 0.000 0.998 372 I CA -0.675 60.609 61.300 -0.026 0.000 1.227 372 I CB 0.908 38.895 38.000 -0.023 0.000 1.368 372 I HN 0.631 nan 8.210 nan 0.000 0.466 373 N N 8.586 127.287 118.700 0.002 0.000 2.424 373 N HA 0.246 4.986 4.740 -0.001 0.000 0.257 373 N C -1.570 173.948 175.510 0.012 0.000 1.250 373 N CA -1.256 51.799 53.050 0.008 0.000 0.946 373 N CB 0.386 38.880 38.487 0.012 0.000 1.175 373 N HN 0.339 nan 8.380 nan 0.000 0.477 374 P HA -0.136 nan 4.420 nan 0.000 0.221 374 P C 0.221 177.534 177.300 0.022 0.000 1.145 374 P CA 1.281 64.391 63.100 0.018 0.000 0.795 374 P CB 0.186 31.895 31.700 0.014 0.000 0.775 375 D N -1.157 119.254 120.400 0.020 0.000 2.328 375 D HA -0.038 4.602 4.640 -0.001 0.000 0.221 375 D C 0.842 177.162 176.300 0.033 0.000 1.072 375 D CA 1.041 55.056 54.000 0.023 0.000 0.850 375 D CB -0.944 39.864 40.800 0.014 0.000 0.922 375 D HN 0.271 nan 8.370 nan 0.000 0.516 376 T N -4.254 110.317 114.554 0.029 0.000 5.979 376 T HA -0.264 4.086 4.350 -0.001 0.000 0.273 376 T C 0.584 175.277 174.700 -0.011 0.000 2.195 376 T CA 1.374 63.487 62.100 0.021 0.000 3.693 376 T CB -3.022 65.885 68.868 0.064 0.000 0.944 376 T HN 0.563 nan 8.240 nan 0.000 1.117 377 T N -0.722 113.840 114.554 0.014 0.000 2.732 377 T HA 0.637 4.987 4.350 -0.001 0.000 0.287 377 T C 0.845 175.558 174.700 0.020 0.000 0.993 377 T CA -0.195 61.925 62.100 0.033 0.000 0.966 377 T CB 1.150 70.045 68.868 0.046 0.000 1.047 377 T HN 0.660 nan 8.240 nan 0.000 0.527 378 c N 0.278 118.911 118.600 0.054 0.000 2.399 378 c HA 0.901 5.471 4.570 -0.001 0.000 0.348 378 c C 1.263 175.401 174.090 0.080 0.000 1.183 378 c CA -0.367 55.997 56.329 0.057 0.000 2.023 378 c CB 0.906 43.474 42.510 0.097 0.000 2.361 378 c HN 1.203 nan 8.230 nan 0.000 0.521 379 G N 0.261 109.109 108.800 0.080 0.000 2.938 379 G HA2 0.474 4.434 3.960 -0.001 0.000 0.258 379 G HA3 0.474 4.434 3.960 -0.001 0.000 0.258 379 G C -0.050 174.932 174.900 0.136 0.000 1.356 379 G CA -0.183 44.963 45.100 0.076 0.000 1.052 379 G HN 0.769 nan 8.290 nan 0.000 0.550 380 N N 0.175 118.913 118.700 0.063 0.000 2.741 380 N HA -0.155 4.585 4.740 -0.001 0.000 0.250 380 N C -0.059 175.334 175.510 -0.195 0.000 1.115 380 N CA 1.340 54.395 53.050 0.007 0.000 0.724 380 N CB -0.544 38.023 38.487 0.134 0.000 1.090 380 N HN 0.693 nan 8.380 nan 0.000 0.558 381 D N -3.657 116.666 120.400 -0.129 0.000 3.077 381 D HA -0.223 4.417 4.640 -0.001 0.000 0.212 381 D C -0.389 175.765 176.300 -0.243 0.000 1.125 381 D CA 1.067 54.953 54.000 -0.190 0.000 0.970 381 D CB -1.473 39.189 40.800 -0.231 0.000 1.110 381 D HN 0.516 nan 8.370 nan 0.000 0.419 382 W N 0.296 121.572 121.300 -0.042 0.000 2.322 382 W HA 0.371 5.030 4.660 -0.000 0.000 0.307 382 W C 1.710 178.210 176.519 -0.030 0.000 1.220 382 W CA -0.901 56.434 57.345 -0.018 0.000 1.210 382 W CB 0.806 30.199 29.460 -0.112 0.000 1.223 382 W HN -0.279 nan 8.180 nan 0.000 0.511 383 V N 2.183 122.159 119.914 0.103 0.000 2.488 383 V HA -0.218 3.901 4.120 -0.001 0.000 0.246 383 V C 1.210 177.357 176.094 0.088 0.000 1.046 383 V CA 0.401 62.660 62.300 -0.068 0.000 1.053 383 V CB -0.915 30.551 31.823 -0.595 0.000 0.679 383 V HN 0.874 nan 8.190 nan 0.000 0.458 384 c N 1.337 120.033 118.600 0.161 0.000 3.899 384 c HA -0.164 4.405 4.570 -0.001 0.000 0.297 384 c C 1.691 175.656 174.090 -0.209 0.000 1.371 384 c CA 0.560 56.963 56.329 0.124 0.000 2.088 384 c CB -2.565 39.989 42.510 0.073 0.000 1.346 384 c HN 0.682 nan 8.230 nan 0.000 0.658 385 E N 0.412 120.353 120.200 -0.431 0.000 2.160 385 E HA -0.190 4.160 4.350 -0.001 0.000 0.195 385 E C 1.957 178.276 176.600 -0.468 0.000 0.991 385 E CA 1.636 57.377 56.400 -1.097 0.000 0.810 385 E CB -0.173 29.047 29.700 -0.800 0.000 0.742 385 E HN 0.973 nan 8.360 nan 0.000 0.466 386 H N -0.034 118.919 119.070 -0.195 0.000 2.543 386 H HA 0.074 4.629 4.556 -0.001 0.000 0.286 386 H C 1.302 176.723 175.328 0.155 0.000 1.037 386 H CA 0.942 57.011 56.048 0.035 0.000 1.250 386 H CB -0.022 29.695 29.762 -0.074 0.000 1.373 386 H HN 0.090 nan 8.280 nan 0.000 0.580 387 R N -0.686 119.569 120.500 -0.408 0.000 2.312 387 R HA 0.060 4.399 4.340 -0.001 0.000 0.205 387 R C -0.191 176.243 176.300 0.223 0.000 0.904 387 R CA -0.438 55.528 56.100 -0.224 0.000 1.052 387 R CB 0.270 30.255 30.300 -0.525 0.000 1.014 387 R HN 0.101 nan 8.270 nan 0.000 0.503 388 W N 2.018 123.345 121.300 0.044 0.000 2.322 388 W HA 0.099 4.758 4.660 -0.001 0.000 0.328 388 W C 1.566 178.157 176.519 0.121 0.000 1.395 388 W CA -0.924 56.472 57.345 0.085 0.000 1.267 388 W CB -0.015 29.516 29.460 0.119 0.000 1.259 388 W HN 0.096 nan 8.180 nan 0.000 0.560 389 R N 1.843 122.519 120.500 0.294 0.000 2.113 389 R HA -0.317 4.023 4.340 -0.001 0.000 0.244 389 R C 1.676 178.096 176.300 0.200 0.000 1.142 389 R CA 2.524 58.748 56.100 0.207 0.000 0.953 389 R CB 0.030 30.401 30.300 0.118 0.000 0.860 389 R HN 0.490 nan 8.270 nan 0.000 0.438 390 Q N -0.072 119.857 119.800 0.216 0.000 2.124 390 Q HA -0.122 4.218 4.340 -0.001 0.000 0.202 390 Q C 1.938 178.079 176.000 0.236 0.000 0.977 390 Q CA 1.623 57.542 55.803 0.193 0.000 0.850 390 Q CB -0.091 28.790 28.738 0.238 0.000 0.901 390 Q HN 0.373 nan 8.270 nan 0.000 0.429 391 I N -0.234 120.512 120.570 0.294 0.000 2.339 391 I HA -0.139 4.031 4.170 -0.001 0.000 0.245 391 I C 2.319 178.558 176.117 0.204 0.000 1.096 391 I CA 0.950 62.385 61.300 0.225 0.000 1.408 391 I CB -0.493 37.628 38.000 0.202 0.000 1.092 391 I HN 0.105 nan 8.210 nan 0.000 0.423 392 R N 1.105 121.773 120.500 0.280 0.000 2.091 392 R HA -0.197 4.142 4.340 -0.001 0.000 0.238 392 R C 1.747 178.130 176.300 0.138 0.000 1.136 392 R CA 1.788 58.062 56.100 0.291 0.000 0.959 392 R CB -0.465 30.081 30.300 0.410 0.000 0.856 392 R HN 0.347 nan 8.270 nan 0.000 0.437 393 N N 0.047 118.837 118.700 0.150 0.000 2.331 393 N HA -0.087 4.653 4.740 -0.001 0.000 0.180 393 N C 1.562 177.158 175.510 0.143 0.000 1.019 393 N CA 0.952 54.084 53.050 0.138 0.000 0.881 393 N CB -0.077 38.495 38.487 0.141 0.000 0.972 393 N HN 0.226 nan 8.380 nan 0.000 0.435 394 M N -0.111 119.554 119.600 0.107 0.000 2.388 394 M HA 0.057 4.537 4.480 -0.001 0.000 0.265 394 M C 1.873 178.199 176.300 0.044 0.000 1.088 394 M CA 0.352 55.700 55.300 0.080 0.000 1.134 394 M CB -0.567 32.053 32.600 0.033 0.000 1.384 394 M HN -0.126 nan 8.290 nan 0.000 0.447 395 V N 0.620 120.505 119.914 -0.047 0.000 2.343 395 V HA -0.250 3.869 4.120 -0.001 0.000 0.247 395 V C 2.319 178.299 176.094 -0.189 0.000 1.051 395 V CA 1.529 63.701 62.300 -0.213 0.000 1.036 395 V CB -0.456 31.041 31.823 -0.544 0.000 0.654 395 V HN 0.344 nan 8.190 nan 0.000 0.451 396 I N -0.966 119.524 120.570 -0.133 0.000 2.315 396 I HA -0.226 3.943 4.170 -0.001 0.000 0.248 396 I C 2.307 178.326 176.117 -0.164 0.000 1.117 396 I CA 1.580 62.798 61.300 -0.137 0.000 1.404 396 I CB -0.431 37.525 38.000 -0.073 0.000 1.071 396 I HN 0.329 nan 8.210 nan 0.000 0.419 397 F N 2.017 121.819 119.950 -0.247 0.000 2.091 397 F HA -0.277 4.250 4.527 -0.000 0.000 0.299 397 F C 2.694 178.374 175.800 -0.200 0.000 1.103 397 F CA 1.801 59.627 58.000 -0.290 0.000 1.228 397 F CB -0.384 38.584 39.000 -0.052 0.000 0.984 397 F HN -0.146 nan 8.300 nan 0.000 0.477 398 R N 0.254 120.882 120.500 0.213 0.000 2.081 398 R HA -0.187 4.153 4.340 -0.001 0.000 0.235 398 R C 2.068 178.336 176.300 -0.054 0.000 1.131 398 R CA 1.760 57.927 56.100 0.112 0.000 0.960 398 R CB -0.350 29.968 30.300 0.030 0.000 0.856 398 R HN 0.315 nan 8.270 nan 0.000 0.436 399 N N 0.019 118.650 118.700 -0.115 0.000 2.084 399 N HA -0.141 4.598 4.740 -0.001 0.000 0.190 399 N C 1.822 177.240 175.510 -0.153 0.000 1.030 399 N CA 1.419 54.393 53.050 -0.126 0.000 0.849 399 N CB -0.454 37.951 38.487 -0.136 0.000 1.012 399 N HN 0.048 nan 8.380 nan 0.000 0.423 400 V N 1.261 121.027 119.914 -0.248 0.000 2.332 400 V HA -0.155 3.965 4.120 -0.001 0.000 0.248 400 V C 2.210 178.158 176.094 -0.242 0.000 1.055 400 V CA 1.694 63.824 62.300 -0.284 0.000 1.038 400 V CB -0.640 30.876 31.823 -0.511 0.000 0.651 400 V HN 0.318 nan 8.190 nan 0.000 0.450 401 V N -1.834 117.907 119.914 -0.289 0.000 3.649 401 V HA 0.216 4.336 4.120 -0.001 0.000 0.275 401 V C 0.692 176.744 176.094 -0.071 0.000 1.281 401 V CA -0.078 62.105 62.300 -0.195 0.000 1.143 401 V CB -0.560 31.105 31.823 -0.264 0.000 0.892 401 V HN 0.484 nan 8.190 nan 0.000 0.441 402 D N 1.644 122.005 120.400 -0.064 0.000 2.581 402 D HA 0.342 4.982 4.640 -0.001 0.000 0.238 402 D C 1.475 177.768 176.300 -0.011 0.000 1.145 402 D CA 2.156 56.141 54.000 -0.025 0.000 0.866 402 D CB 0.197 40.978 40.800 -0.032 0.000 1.151 402 D HN 0.634 nan 8.370 nan 0.000 0.500 403 G N 3.131 111.935 108.800 0.008 0.000 2.258 403 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.233 403 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.233 403 G C 0.181 175.096 174.900 0.024 0.000 1.006 403 G CA 0.004 45.111 45.100 0.013 0.000 0.620 403 G HN 0.593 nan 8.290 nan 0.000 0.511 404 Q N 1.933 121.750 119.800 0.028 0.000 2.352 404 Q HA 0.385 4.724 4.340 -0.001 0.000 0.260 404 Q C -1.927 174.122 176.000 0.080 0.000 0.976 404 Q CA -1.298 54.533 55.803 0.046 0.000 0.881 404 Q CB 1.239 29.999 28.738 0.037 0.000 1.235 404 Q HN 0.445 nan 8.270 nan 0.000 0.419 405 P HA 0.068 nan 4.420 nan 0.000 0.274 405 P C -0.652 176.757 177.300 0.182 0.000 1.237 405 P CA -0.379 62.794 63.100 0.122 0.000 0.793 405 P CB 0.481 32.242 31.700 0.102 0.000 0.977 406 F N 2.492 122.458 119.950 0.027 0.000 2.444 406 F HA 0.333 4.860 4.527 -0.000 0.000 0.360 406 F C 0.170 176.038 175.800 0.112 0.000 1.106 406 F CA 0.755 58.771 58.000 0.026 0.000 1.170 406 F CB 0.038 38.962 39.000 -0.127 0.000 1.113 406 F HN 0.384 nan 8.300 nan 0.000 0.521 407 T N 1.719 116.149 114.554 -0.208 0.000 2.754 407 T HA 0.312 4.661 4.350 -0.001 0.000 0.296 407 T C -0.392 174.295 174.700 -0.022 0.000 1.205 407 T CA -1.219 60.832 62.100 -0.082 0.000 1.009 407 T CB 1.297 70.201 68.868 0.060 0.000 1.368 407 T HN 0.484 nan 8.240 nan 0.000 0.509 408 N N 0.544 119.310 118.700 0.110 0.000 2.714 408 N HA -0.135 4.605 4.740 -0.001 0.000 0.252 408 N C -0.427 175.247 175.510 0.274 0.000 1.014 408 N CA 0.594 53.775 53.050 0.219 0.000 0.735 408 N CB -0.778 37.885 38.487 0.293 0.000 0.924 408 N HN 0.740 nan 8.380 nan 0.000 0.540 409 W N 0.961 122.287 121.300 0.042 0.000 2.181 409 W HA 0.303 4.962 4.660 -0.001 0.000 0.335 409 W C -0.418 176.240 176.519 0.232 0.000 1.310 409 W CA -0.004 57.400 57.345 0.098 0.000 1.226 409 W CB 0.317 29.816 29.460 0.066 0.000 1.155 409 W HN 0.227 nan 8.180 nan 0.000 0.565 410 Y N 5.025 124.894 120.300 -0.719 0.000 2.513 410 Y HA 0.383 4.932 4.550 -0.000 0.000 0.340 410 Y C -1.632 173.847 175.900 -0.702 0.000 1.055 410 Y CA -0.998 56.843 58.100 -0.432 0.000 1.020 410 Y CB 1.352 39.729 38.460 -0.139 0.000 1.301 410 Y HN 0.522 nan 8.280 nan 0.000 0.453 411 D N 2.010 121.538 120.400 -1.454 0.000 2.654 411 D HA 0.209 4.848 4.640 -0.001 0.000 0.231 411 D C -1.203 174.580 176.300 -0.862 0.000 1.239 411 D CA -0.793 52.620 54.000 -0.978 0.000 0.790 411 D CB 1.005 41.691 40.800 -0.191 0.000 1.480 411 D HN 0.438 nan 8.370 nan 0.000 0.442 412 N N 1.064 119.523 118.700 -0.402 0.000 2.279 412 N HA 0.208 4.947 4.740 -0.001 0.000 0.226 412 N C 1.321 176.856 175.510 0.042 0.000 1.126 412 N CA 0.171 53.194 53.050 -0.044 0.000 0.846 412 N CB 0.289 38.905 38.487 0.214 0.000 1.050 412 N HN 1.043 nan 8.380 nan 0.000 0.502 413 G N -1.380 107.419 108.800 -0.002 0.000 2.189 413 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.267 413 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.267 413 G C 0.377 175.289 174.900 0.019 0.000 0.975 413 G CA 0.790 45.917 45.100 0.044 0.000 0.644 413 G HN 0.650 nan 8.290 nan 0.000 0.537 414 S N -0.891 114.809 115.700 0.000 0.000 3.697 414 S HA 0.422 4.892 4.470 -0.001 0.000 0.184 414 S C 0.857 175.371 174.600 -0.143 0.000 1.045 414 S CA 0.731 58.913 58.200 -0.030 0.000 1.330 414 S CB 0.140 63.416 63.200 0.128 0.000 1.393 414 S HN 0.310 nan 8.310 nan 0.000 0.855 415 N N 0.698 119.288 118.700 -0.184 0.000 2.365 415 N HA 0.349 5.089 4.740 -0.001 0.000 0.257 415 N C -1.342 174.011 175.510 -0.262 0.000 1.287 415 N CA -0.083 52.819 53.050 -0.248 0.000 0.882 415 N CB 1.161 39.481 38.487 -0.277 0.000 1.250 415 N HN 0.273 nan 8.380 nan 0.000 0.507 416 Q N 1.516 121.182 119.800 -0.223 0.000 2.381 416 Q HA 0.457 4.796 4.340 -0.001 0.000 0.263 416 Q C -0.845 174.979 176.000 -0.293 0.000 1.030 416 Q CA -0.726 54.923 55.803 -0.256 0.000 0.772 416 Q CB 2.151 30.819 28.738 -0.117 0.000 1.232 416 Q HN 0.132 nan 8.270 nan 0.000 0.476 417 V N -1.175 118.544 119.914 -0.325 0.000 3.102 417 V HA 1.058 5.177 4.120 -0.001 0.000 0.312 417 V C -1.133 174.752 176.094 -0.349 0.000 1.135 417 V CA -0.835 61.192 62.300 -0.455 0.000 1.022 417 V CB 1.972 33.465 31.823 -0.551 0.000 1.056 417 V HN 0.720 nan 8.190 nan 0.000 0.436 418 A N 2.020 124.543 122.820 -0.494 0.000 2.604 418 A HA 1.026 5.346 4.320 -0.001 0.000 0.295 418 A C -1.194 176.141 177.584 -0.415 0.000 1.067 418 A CA -0.226 51.514 52.037 -0.494 0.000 0.683 418 A CB 1.743 20.470 19.000 -0.455 0.000 1.281 418 A HN 2.409 nan 8.150 nan 0.000 0.407 419 F N -1.197 118.333 119.950 -0.701 0.000 2.770 419 F HA 0.833 5.360 4.527 -0.001 0.000 0.313 419 F C -0.082 175.378 175.800 -0.566 0.000 1.154 419 F CA -0.304 57.424 58.000 -0.454 0.000 0.923 419 F CB 0.759 39.645 39.000 -0.191 0.000 1.301 419 F HN 1.133 nan 8.300 nan 0.000 0.449 420 G N 0.530 109.380 108.800 0.083 0.000 2.685 420 G HA2 0.692 4.652 3.960 -0.001 0.000 0.298 420 G HA3 0.692 4.652 3.960 -0.001 0.000 0.298 420 G C -1.603 173.459 174.900 0.271 0.000 1.277 420 G CA -1.314 43.928 45.100 0.236 0.000 0.986 420 G HN 0.589 nan 8.290 nan 0.000 0.487 421 R N 0.282 120.924 120.500 0.236 0.000 2.352 421 R HA 0.501 4.841 4.340 -0.001 0.000 0.304 421 R C 0.850 177.216 176.300 0.111 0.000 1.104 421 R CA 0.057 56.273 56.100 0.193 0.000 0.991 421 R CB 0.358 30.771 30.300 0.189 0.000 1.140 421 R HN 1.305 nan 8.270 nan 0.000 0.540 422 G N 3.556 112.419 108.800 0.105 0.000 2.611 422 G HA2 -0.425 3.535 3.960 -0.001 0.000 0.301 422 G HA3 -0.425 3.535 3.960 -0.001 0.000 0.301 422 G C 0.305 175.244 174.900 0.065 0.000 1.233 422 G CA 0.636 45.779 45.100 0.073 0.000 0.993 422 G HN 0.659 nan 8.290 nan 0.000 0.553 423 N N 0.599 119.324 118.700 0.043 0.000 2.282 423 N HA 0.186 4.926 4.740 -0.001 0.000 0.240 423 N C 1.317 176.845 175.510 0.029 0.000 1.182 423 N CA -0.008 53.063 53.050 0.035 0.000 0.874 423 N CB 0.500 39.006 38.487 0.032 0.000 1.126 423 N HN 0.539 nan 8.380 nan 0.000 0.516 424 R N -0.461 120.046 120.500 0.012 0.000 2.344 424 R HA 0.347 4.686 4.340 -0.001 0.000 0.209 424 R C 0.461 176.719 176.300 -0.069 0.000 0.886 424 R CA 0.439 56.526 56.100 -0.020 0.000 1.040 424 R CB 1.149 31.412 30.300 -0.062 0.000 1.114 424 R HN 0.288 nan 8.270 nan 0.000 0.547 425 G N 0.353 109.123 108.800 -0.050 0.000 2.673 425 G HA2 0.525 4.485 3.960 -0.001 0.000 0.292 425 G HA3 0.525 4.485 3.960 -0.001 0.000 0.292 425 G C -2.042 172.989 174.900 0.217 0.000 1.450 425 G CA -0.405 44.661 45.100 -0.057 0.000 0.837 425 G HN -0.009 nan 8.290 nan 0.000 0.505 426 F N 0.342 120.353 119.950 0.102 0.000 2.628 426 F HA 0.808 5.334 4.527 -0.000 0.000 0.309 426 F C -1.158 174.575 175.800 -0.112 0.000 1.108 426 F CA -0.997 56.985 58.000 -0.030 0.000 0.971 426 F CB 2.125 41.068 39.000 -0.094 0.000 1.279 426 F HN 0.523 nan 8.300 nan 0.000 0.441 427 I N 5.209 125.188 120.570 -0.984 0.000 2.722 427 I HA 0.717 4.887 4.170 -0.001 0.000 0.295 427 I C -1.871 173.542 176.117 -1.174 0.000 1.161 427 I CA -0.711 60.025 61.300 -0.940 0.000 1.032 427 I CB 1.979 39.401 38.000 -0.964 0.000 1.244 427 I HN 0.366 nan 8.210 nan 0.000 0.421 428 V N 6.993 126.315 119.914 -0.986 0.000 2.588 428 V HA 0.546 4.665 4.120 -0.001 0.000 0.304 428 V C -1.017 174.609 176.094 -0.781 0.000 1.042 428 V CA -0.486 61.308 62.300 -0.843 0.000 0.877 428 V CB 1.742 33.078 31.823 -0.811 0.000 0.996 428 V HN 0.474 nan 8.190 nan 0.000 0.425 429 F N 2.453 122.153 119.950 -0.416 0.000 2.532 429 F HA 0.598 5.125 4.527 -0.000 0.000 0.321 429 F C 0.144 175.708 175.800 -0.394 0.000 1.089 429 F CA -0.732 57.089 58.000 -0.298 0.000 0.926 429 F CB 1.917 40.752 39.000 -0.275 0.000 1.168 429 F HN 0.462 nan 8.300 nan 0.000 0.459 430 N N 1.766 120.408 118.700 -0.096 0.000 2.573 430 N HA 0.202 4.941 4.740 -0.001 0.000 0.262 430 N C -1.017 174.405 175.510 -0.148 0.000 1.029 430 N CA -0.272 52.669 53.050 -0.181 0.000 0.882 430 N CB 0.529 38.946 38.487 -0.118 0.000 1.204 430 N HN 0.561 nan 8.380 nan 0.000 0.519 431 N N 2.026 120.597 118.700 -0.216 0.000 2.338 431 N HA 0.195 4.935 4.740 -0.001 0.000 0.251 431 N C -1.161 174.175 175.510 -0.290 0.000 1.199 431 N CA -0.195 52.727 53.050 -0.215 0.000 0.879 431 N CB 0.318 38.671 38.487 -0.224 0.000 1.159 431 N HN 0.495 nan 8.380 nan 0.000 0.514 432 D N -0.714 119.424 120.400 -0.437 0.000 2.385 432 D HA 0.187 4.826 4.640 -0.001 0.000 0.254 432 D C -0.130 175.853 176.300 -0.528 0.000 1.053 432 D CA -0.225 53.343 54.000 -0.720 0.000 0.992 432 D CB 1.066 40.942 40.800 -1.541 0.000 1.145 432 D HN 0.077 nan 8.370 nan 0.000 0.523 433 D N 0.657 120.833 120.400 -0.373 0.000 2.352 433 D HA 0.122 4.762 4.640 -0.001 0.000 0.236 433 D C -0.063 176.369 176.300 0.220 0.000 1.148 433 D CA 0.023 54.028 54.000 0.008 0.000 0.844 433 D CB 0.001 40.895 40.800 0.157 0.000 0.933 433 D HN 0.315 nan 8.370 nan 0.000 0.507 434 W N -1.101 120.234 121.300 0.058 0.000 3.047 434 W HA 0.539 5.199 4.660 -0.001 0.000 0.341 434 W C -0.437 176.140 176.519 0.096 0.000 1.225 434 W CA -1.030 56.355 57.345 0.068 0.000 1.150 434 W CB 0.095 29.593 29.460 0.063 0.000 1.470 434 W HN -0.428 nan 8.180 nan 0.000 0.578 435 S N 1.228 117.123 115.700 0.326 0.000 2.584 435 S HA 0.384 4.853 4.470 -0.001 0.000 0.270 435 S C -1.182 173.600 174.600 0.304 0.000 1.346 435 S CA -0.245 58.096 58.200 0.234 0.000 1.018 435 S CB 0.307 63.620 63.200 0.189 0.000 0.899 435 S HN 0.399 nan 8.310 nan 0.000 0.542 436 F N 1.858 121.860 119.950 0.087 0.000 2.467 436 F HA 0.569 5.096 4.527 -0.001 0.000 0.336 436 F C -0.124 175.717 175.800 0.069 0.000 1.123 436 F CA -0.394 57.657 58.000 0.084 0.000 0.964 436 F CB 1.414 40.428 39.000 0.024 0.000 1.136 436 F HN 0.413 nan 8.300 nan 0.000 0.447 437 S N 7.606 122.938 115.700 -0.614 0.000 2.673 437 S HA 0.729 5.198 4.470 -0.001 0.000 0.256 437 S C -2.047 172.174 174.600 -0.631 0.000 1.141 437 S CA -0.427 57.491 58.200 -0.470 0.000 1.109 437 S CB 0.408 63.577 63.200 -0.053 0.000 1.101 437 S HN 0.789 nan 8.310 nan 0.000 0.471 438 L N 3.434 124.096 121.223 -0.934 0.000 2.582 438 L HA 0.650 4.989 4.340 -0.001 0.000 0.257 438 L C -0.725 175.942 176.870 -0.338 0.000 0.974 438 L CA -0.015 54.491 54.840 -0.557 0.000 0.851 438 L CB 2.244 43.897 42.059 -0.676 0.000 1.424 438 L HN 0.491 nan 8.230 nan 0.000 0.412 439 T N 4.556 119.076 114.554 -0.057 0.000 2.743 439 T HA 0.630 4.980 4.350 -0.001 0.000 0.293 439 T C -0.588 174.119 174.700 0.012 0.000 0.945 439 T CA -0.282 61.849 62.100 0.051 0.000 1.030 439 T CB 0.334 69.259 68.868 0.094 0.000 0.912 439 T HN 0.241 nan 8.240 nan 0.000 0.483 440 L N 2.746 124.026 121.223 0.095 0.000 2.319 440 L HA 0.558 4.898 4.340 -0.001 0.000 0.267 440 L C 0.176 177.023 176.870 -0.039 0.000 1.011 440 L CA -1.081 53.779 54.840 0.032 0.000 0.818 440 L CB 1.581 43.700 42.059 0.100 0.000 1.316 440 L HN 0.530 nan 8.230 nan 0.000 0.432 441 Q N 0.353 120.110 119.800 -0.072 0.000 2.314 441 Q HA 0.252 4.592 4.340 -0.001 0.000 0.257 441 Q C 0.623 176.404 176.000 -0.365 0.000 0.975 441 Q CA 0.148 55.874 55.803 -0.128 0.000 0.933 441 Q CB 1.169 29.891 28.738 -0.027 0.000 1.195 441 Q HN 0.763 nan 8.270 nan 0.000 0.426 442 T N 0.269 114.494 114.554 -0.549 0.000 3.037 442 T HA 0.263 4.613 4.350 -0.001 0.000 0.252 442 T C 1.275 175.747 174.700 -0.380 0.000 1.073 442 T CA 0.466 61.951 62.100 -1.024 0.000 1.091 442 T CB -0.088 68.230 68.868 -0.916 0.000 0.935 442 T HN 1.032 nan 8.240 nan 0.000 0.488 443 G N 1.069 109.756 108.800 -0.189 0.000 2.162 443 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.260 443 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.260 443 G C -0.230 174.640 174.900 -0.051 0.000 0.976 443 G CA 0.278 45.341 45.100 -0.062 0.000 0.655 443 G HN 0.580 nan 8.290 nan 0.000 0.533 444 L N 1.894 123.052 121.223 -0.108 0.000 2.360 444 L HA 0.610 4.950 4.340 -0.001 0.000 0.271 444 L C -1.352 175.521 176.870 0.005 0.000 1.057 444 L CA -2.384 52.413 54.840 -0.072 0.000 0.803 444 L CB 0.892 42.804 42.059 -0.245 0.000 1.207 444 L HN -0.041 nan 8.230 nan 0.000 0.445 445 P HA 0.158 nan 4.420 nan 0.000 0.271 445 P C -0.875 176.524 177.300 0.164 0.000 1.218 445 P CA -0.518 62.645 63.100 0.104 0.000 0.780 445 P CB 0.625 32.385 31.700 0.099 0.000 0.901 446 A N 1.900 124.780 122.820 0.100 0.000 2.583 446 A HA 0.444 4.764 4.320 -0.001 0.000 0.231 446 A C 0.899 178.557 177.584 0.124 0.000 1.065 446 A CA 1.224 53.324 52.037 0.105 0.000 0.760 446 A CB -1.112 17.920 19.000 0.053 0.000 1.001 446 A HN 0.952 nan 8.150 nan 0.000 0.509 447 G N -0.657 108.223 108.800 0.133 0.000 2.369 447 G HA2 0.437 4.397 3.960 -0.001 0.000 0.295 447 G HA3 0.437 4.397 3.960 -0.001 0.000 0.295 447 G C -0.714 174.224 174.900 0.063 0.000 1.298 447 G CA -0.200 44.915 45.100 0.025 0.000 0.940 447 G HN 1.126 nan 8.290 nan 0.000 0.536 448 T N 0.999 115.489 114.554 -0.106 0.000 2.758 448 T HA 0.648 4.998 4.350 -0.001 0.000 0.285 448 T C -1.190 173.344 174.700 -0.276 0.000 0.981 448 T CA 0.049 62.075 62.100 -0.124 0.000 0.965 448 T CB 0.770 69.591 68.868 -0.078 0.000 0.927 448 T HN 0.408 nan 8.240 nan 0.000 0.448 449 Y N 0.609 120.769 120.300 -0.233 0.000 2.429 449 Y HA 0.439 4.989 4.550 -0.001 0.000 0.342 449 Y C 0.486 176.260 175.900 -0.209 0.000 1.004 449 Y CA -1.218 56.769 58.100 -0.188 0.000 1.075 449 Y CB 0.975 39.349 38.460 -0.144 0.000 1.214 449 Y HN 0.575 nan 8.280 nan 0.000 0.455 450 c N 2.188 120.767 118.600 -0.035 0.000 2.527 450 c HA 0.179 4.749 4.570 -0.001 0.000 0.396 450 c C 0.344 174.399 174.090 -0.057 0.000 1.289 450 c CA -0.684 55.603 56.329 -0.071 0.000 2.047 450 c CB -0.368 42.095 42.510 -0.078 0.000 2.568 450 c HN 0.786 nan 8.230 nan 0.000 0.573 451 D N 1.519 121.881 120.400 -0.064 0.000 2.343 451 D HA 0.186 4.826 4.640 -0.001 0.000 0.255 451 D C 0.969 177.225 176.300 -0.073 0.000 1.187 451 D CA -0.341 53.621 54.000 -0.063 0.000 0.875 451 D CB 1.006 41.763 40.800 -0.072 0.000 1.136 451 D HN 0.425 nan 8.370 nan 0.000 0.469 452 V N 2.174 122.051 119.914 -0.062 0.000 3.573 452 V HA 0.055 4.174 4.120 -0.001 0.000 0.270 452 V C 1.405 177.462 176.094 -0.061 0.000 1.221 452 V CA 0.407 62.692 62.300 -0.026 0.000 1.163 452 V CB -0.657 31.209 31.823 0.071 0.000 0.847 452 V HN 0.465 nan 8.190 nan 0.000 0.468 453 I N 2.032 122.499 120.570 -0.172 0.000 2.628 453 I HA 0.003 4.173 4.170 -0.001 0.000 0.255 453 I C 2.649 178.654 176.117 -0.187 0.000 1.119 453 I CA 1.757 62.892 61.300 -0.275 0.000 1.448 453 I CB -0.327 37.255 38.000 -0.697 0.000 1.133 453 I HN 0.497 nan 8.210 nan 0.000 0.438 454 S N -0.926 114.677 115.700 -0.161 0.000 2.501 454 S HA 0.407 4.876 4.470 -0.001 0.000 0.220 454 S C 1.033 175.598 174.600 -0.058 0.000 0.997 454 S CA 0.389 58.528 58.200 -0.102 0.000 0.919 454 S CB -0.140 63.005 63.200 -0.092 0.000 0.778 454 S HN 0.374 nan 8.310 nan 0.000 0.523 455 G N -0.250 108.519 108.800 -0.050 0.000 2.753 455 G HA2 0.554 4.513 3.960 -0.001 0.000 0.303 455 G HA3 0.554 4.513 3.960 -0.001 0.000 0.303 455 G C -2.251 172.643 174.900 -0.010 0.000 1.242 455 G CA -0.568 44.517 45.100 -0.025 0.000 0.810 455 G HN 0.196 nan 8.290 nan 0.000 0.515 456 D N -0.412 119.984 120.400 -0.006 0.000 2.570 456 D HA 0.300 4.939 4.640 -0.001 0.000 0.244 456 D C -1.037 175.257 176.300 -0.010 0.000 1.178 456 D CA -0.565 53.438 54.000 0.005 0.000 0.881 456 D CB 2.764 43.578 40.800 0.025 0.000 1.453 456 D HN 0.351 nan 8.370 nan 0.000 0.447 457 K N 1.956 122.349 120.400 -0.011 0.000 2.267 457 K HA 0.270 4.590 4.320 -0.001 0.000 0.282 457 K C -0.862 175.732 176.600 -0.010 0.000 1.078 457 K CA -0.377 55.895 56.287 -0.025 0.000 0.903 457 K CB 0.375 32.853 32.500 -0.037 0.000 1.111 457 K HN 0.293 nan 8.250 nan 0.000 0.475 458 I N 6.738 127.301 120.570 -0.011 0.000 2.412 458 I HA 0.030 4.200 4.170 -0.001 0.000 0.279 458 I C -0.251 175.861 176.117 -0.009 0.000 1.063 458 I CA -0.579 60.719 61.300 -0.004 0.000 1.193 458 I CB 0.257 38.258 38.000 0.001 0.000 1.370 458 I HN 0.818 nan 8.210 nan 0.000 0.479 459 N N 4.512 123.206 118.700 -0.010 0.000 2.620 459 N HA -0.253 4.486 4.740 -0.001 0.000 0.293 459 N C 0.680 176.179 175.510 -0.018 0.000 1.178 459 N CA 1.025 54.068 53.050 -0.013 0.000 0.750 459 N CB -1.325 37.157 38.487 -0.008 0.000 0.949 459 N HN 1.020 nan 8.380 nan 0.000 0.555 460 G N -0.195 108.588 108.800 -0.027 0.000 2.148 460 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.254 460 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.254 460 G C -0.214 174.668 174.900 -0.030 0.000 0.981 460 G CA 0.516 45.597 45.100 -0.031 0.000 0.670 460 G HN 0.948 nan 8.290 nan 0.000 0.528 461 N N -1.468 117.215 118.700 -0.029 0.000 2.591 461 N HA 0.489 5.229 4.740 -0.001 0.000 0.263 461 N C -0.919 174.573 175.510 -0.031 0.000 1.308 461 N CA 0.066 53.100 53.050 -0.026 0.000 0.837 461 N CB 1.864 40.342 38.487 -0.015 0.000 1.548 461 N HN 0.132 nan 8.380 nan 0.000 0.493 462 c N 0.414 118.993 118.600 -0.034 0.000 2.411 462 c HA 0.430 5.000 4.570 -0.001 0.000 0.330 462 c C 1.905 175.980 174.090 -0.025 0.000 1.224 462 c CA -0.488 55.818 56.329 -0.038 0.000 1.770 462 c CB 0.829 43.304 42.510 -0.057 0.000 2.297 462 c HN 0.825 nan 8.230 nan 0.000 0.507 463 T N -1.066 113.476 114.554 -0.021 0.000 3.081 463 T HA 0.342 4.692 4.350 -0.001 0.000 0.250 463 T C 0.770 175.460 174.700 -0.018 0.000 1.100 463 T CA 0.650 62.741 62.100 -0.014 0.000 1.038 463 T CB 0.128 68.992 68.868 -0.007 0.000 0.962 463 T HN 0.898 nan 8.240 nan 0.000 0.516 464 G N 1.121 109.904 108.800 -0.028 0.000 3.259 464 G HA2 0.573 4.533 3.960 -0.001 0.000 0.178 464 G HA3 0.573 4.533 3.960 -0.001 0.000 0.178 464 G C -0.765 174.112 174.900 -0.038 0.000 1.129 464 G CA -0.986 44.095 45.100 -0.032 0.000 0.816 464 G HN 0.244 nan 8.290 nan 0.000 0.634 465 I N 0.959 121.502 120.570 -0.046 0.000 2.752 465 I HA 0.168 4.337 4.170 -0.001 0.000 0.287 465 I C 0.019 176.085 176.117 -0.086 0.000 1.188 465 I CA 0.580 61.850 61.300 -0.050 0.000 1.427 465 I CB 0.405 38.379 38.000 -0.043 0.000 1.365 465 I HN 0.321 nan 8.210 nan 0.000 0.585 466 K N 5.654 125.978 120.400 -0.125 0.000 2.345 466 K HA 0.625 4.945 4.320 -0.001 0.000 0.255 466 K C -1.159 175.182 176.600 -0.432 0.000 0.934 466 K CA -0.682 55.445 56.287 -0.266 0.000 0.801 466 K CB 2.238 34.566 32.500 -0.286 0.000 1.137 466 K HN 0.232 nan 8.250 nan 0.000 0.424 467 I N 2.609 122.905 120.570 -0.457 0.000 2.441 467 I HA 0.290 4.460 4.170 -0.001 0.000 0.295 467 I C -1.056 174.726 176.117 -0.558 0.000 0.994 467 I CA -0.592 60.428 61.300 -0.466 0.000 1.144 467 I CB 0.966 38.769 38.000 -0.328 0.000 1.314 467 I HN 0.424 nan 8.210 nan 0.000 0.445 468 Y N 4.786 125.030 120.300 -0.095 0.000 2.328 468 Y HA 0.598 5.147 4.550 -0.001 0.000 0.337 468 Y C -0.205 175.657 175.900 -0.064 0.000 0.966 468 Y CA -1.062 57.015 58.100 -0.038 0.000 1.136 468 Y CB 1.349 39.779 38.460 -0.051 0.000 1.170 468 Y HN 0.148 nan 8.280 nan 0.000 0.470 469 V N 3.821 123.808 119.914 0.120 0.000 2.394 469 V HA 0.369 4.489 4.120 -0.001 0.000 0.282 469 V C 0.197 176.331 176.094 0.066 0.000 1.031 469 V CA -0.877 61.449 62.300 0.043 0.000 0.881 469 V CB 1.128 32.973 31.823 0.036 0.000 0.982 469 V HN 0.918 nan 8.190 nan 0.000 0.451 470 S N 2.721 118.435 115.700 0.023 0.000 2.641 470 S HA 0.184 4.654 4.470 -0.001 0.000 0.261 470 S C 0.770 175.379 174.600 0.015 0.000 1.257 470 S CA -0.482 57.729 58.200 0.018 0.000 0.983 470 S CB 0.644 63.844 63.200 -0.000 0.000 0.990 470 S HN 0.682 nan 8.310 nan 0.000 0.572 471 D N 1.080 121.486 120.400 0.010 0.000 2.218 471 D HA -0.093 4.547 4.640 -0.001 0.000 0.204 471 D C 0.973 177.275 176.300 0.004 0.000 0.976 471 D CA 1.546 55.552 54.000 0.010 0.000 0.853 471 D CB -0.510 40.294 40.800 0.005 0.000 0.939 471 D HN 0.847 nan 8.370 nan 0.000 0.481 472 D N -1.151 119.247 120.400 -0.002 0.000 2.328 472 D HA 0.181 4.821 4.640 -0.001 0.000 0.221 472 D C 1.460 177.750 176.300 -0.017 0.000 1.072 472 D CA 0.508 54.505 54.000 -0.006 0.000 0.850 472 D CB 0.020 40.817 40.800 -0.005 0.000 0.922 472 D HN 0.147 nan 8.370 nan 0.000 0.516 473 G N -0.151 108.634 108.800 -0.025 0.000 2.157 473 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.248 473 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.248 473 G C 0.200 175.042 174.900 -0.097 0.000 0.979 473 G CA 0.138 45.203 45.100 -0.058 0.000 0.650 473 G HN 0.452 nan 8.290 nan 0.000 0.529 474 K N 0.229 120.590 120.400 -0.065 0.000 2.087 474 K HA 0.786 5.106 4.320 -0.001 0.000 0.255 474 K C 0.127 176.682 176.600 -0.075 0.000 0.988 474 K CA 0.158 56.404 56.287 -0.067 0.000 0.915 474 K CB 1.707 34.189 32.500 -0.031 0.000 1.043 474 K HN 0.914 nan 8.250 nan 0.000 0.457 475 A N 1.342 124.114 122.820 -0.081 0.000 2.577 475 A HA 0.258 4.577 4.320 -0.001 0.000 0.297 475 A C -1.917 175.526 177.584 -0.235 0.000 1.060 475 A CA -0.725 51.200 52.037 -0.186 0.000 0.697 475 A CB 0.853 19.642 19.000 -0.352 0.000 1.281 475 A HN 0.843 nan 8.150 nan 0.000 0.402 476 H N 0.514 119.387 119.070 -0.327 0.000 2.548 476 H HA 0.696 5.252 4.556 -0.000 0.000 0.331 476 H C -1.421 173.650 175.328 -0.429 0.000 1.093 476 H CA 0.229 56.137 56.048 -0.234 0.000 1.367 476 H CB 0.363 30.049 29.762 -0.128 0.000 1.455 476 H HN 0.421 nan 8.280 nan 0.000 0.519 477 F N 2.148 121.810 119.950 -0.480 0.000 2.520 477 F HA 0.427 4.954 4.527 -0.000 0.000 0.322 477 F C -0.234 175.398 175.800 -0.281 0.000 1.103 477 F CA -0.681 57.211 58.000 -0.181 0.000 0.926 477 F CB 2.135 41.202 39.000 0.111 0.000 1.154 477 F HN 0.407 nan 8.300 nan 0.000 0.453 478 S N 3.962 119.734 115.700 0.120 0.000 2.707 478 S HA 0.736 5.205 4.470 -0.001 0.000 0.303 478 S C -1.062 173.651 174.600 0.188 0.000 1.132 478 S CA -0.397 57.874 58.200 0.119 0.000 1.046 478 S CB 0.936 64.213 63.200 0.129 0.000 1.004 478 S HN 0.364 nan 8.310 nan 0.000 0.483 479 I N 2.850 123.568 120.570 0.247 0.000 2.468 479 I HA 0.329 4.499 4.170 -0.001 0.000 0.284 479 I C 0.264 176.476 176.117 0.159 0.000 1.038 479 I CA -0.276 61.134 61.300 0.183 0.000 1.083 479 I CB 1.959 40.056 38.000 0.161 0.000 1.223 479 I HN 0.606 nan 8.210 nan 0.000 0.443 480 S N 4.463 120.228 115.700 0.109 0.000 2.586 480 S HA 0.245 4.715 4.470 -0.001 0.000 0.274 480 S C 1.109 175.750 174.600 0.069 0.000 1.281 480 S CA -0.582 57.676 58.200 0.097 0.000 1.035 480 S CB 0.847 64.096 63.200 0.082 0.000 0.962 480 S HN 0.690 nan 8.310 nan 0.000 0.512 481 N N 1.997 120.731 118.700 0.057 0.000 2.635 481 N HA -0.088 4.651 4.740 -0.001 0.000 0.191 481 N C 0.622 176.152 175.510 0.034 0.000 1.155 481 N CA 0.594 53.657 53.050 0.022 0.000 0.927 481 N CB -0.426 38.064 38.487 0.006 0.000 0.976 481 N HN 0.493 nan 8.380 nan 0.000 0.448 482 S N -0.312 115.416 115.700 0.046 0.000 2.556 482 S HA 0.317 4.787 4.470 -0.001 0.000 0.216 482 S C 0.912 175.535 174.600 0.038 0.000 0.970 482 S CA -0.307 57.918 58.200 0.042 0.000 0.912 482 S CB 0.179 63.406 63.200 0.044 0.000 0.790 482 S HN 0.629 nan 8.310 nan 0.000 0.504 483 A N 1.778 124.623 122.820 0.042 0.000 2.520 483 A HA 0.125 4.445 4.320 -0.001 0.000 0.235 483 A C 1.339 178.946 177.584 0.037 0.000 1.065 483 A CA -0.112 51.947 52.037 0.037 0.000 0.764 483 A CB 0.103 19.127 19.000 0.040 0.000 1.002 483 A HN 0.462 nan 8.150 nan 0.000 0.502 484 E N 0.737 120.951 120.200 0.025 0.000 2.038 484 E HA -0.178 4.172 4.350 -0.001 0.000 0.195 484 E C -0.472 176.160 176.600 0.053 0.000 1.000 484 E CA 1.469 57.884 56.400 0.025 0.000 0.803 484 E CB 0.070 29.771 29.700 0.003 0.000 0.750 484 E HN 0.711 nan 8.360 nan 0.000 0.448 485 D N 0.799 121.228 120.400 0.048 0.000 2.453 485 D HA 0.135 4.774 4.640 -0.001 0.000 0.238 485 D C -2.206 174.178 176.300 0.139 0.000 1.088 485 D CA -1.540 52.533 54.000 0.122 0.000 0.854 485 D CB 1.687 42.478 40.800 -0.016 0.000 1.076 485 D HN 0.182 nan 8.370 nan 0.000 0.533 486 P HA 0.055 nan 4.420 nan 0.000 0.269 486 P C -0.783 176.675 177.300 0.263 0.000 1.601 486 P CA -0.067 63.140 63.100 0.179 0.000 0.831 486 P CB -0.808 30.955 31.700 0.104 0.000 1.688 487 F N -1.361 118.513 119.950 -0.126 0.000 2.665 487 F HA 0.590 5.116 4.527 -0.000 0.000 0.308 487 F C -1.725 173.910 175.800 -0.274 0.000 1.112 487 F CA -2.247 55.575 58.000 -0.297 0.000 0.972 487 F CB 0.613 39.331 39.000 -0.471 0.000 1.295 487 F HN -0.352 nan 8.300 nan 0.000 0.440 488 I N 2.600 122.963 120.570 -0.345 0.000 2.509 488 I HA 0.796 4.965 4.170 -0.001 0.000 0.293 488 I C -0.502 175.428 176.117 -0.311 0.000 1.020 488 I CA -1.113 60.012 61.300 -0.291 0.000 1.088 488 I CB 1.311 39.300 38.000 -0.018 0.000 1.267 488 I HN 1.017 nan 8.210 nan 0.000 0.430 489 A N 7.773 130.459 122.820 -0.224 0.000 2.398 489 A HA 0.888 5.207 4.320 -0.001 0.000 0.301 489 A C -0.798 176.826 177.584 0.066 0.000 1.041 489 A CA -0.504 51.466 52.037 -0.112 0.000 0.711 489 A CB 1.692 20.569 19.000 -0.205 0.000 1.240 489 A HN 0.685 nan 8.150 nan 0.000 0.420 490 I N 0.120 120.794 120.570 0.173 0.000 2.730 490 I HA 0.933 5.103 4.170 -0.001 0.000 0.298 490 I C -0.698 175.497 176.117 0.131 0.000 1.089 490 I CA -0.914 60.432 61.300 0.076 0.000 1.041 490 I CB 2.392 40.385 38.000 -0.012 0.000 1.235 490 I HN 0.938 nan 8.210 nan 0.000 0.423 491 H N 2.921 122.065 119.070 0.123 0.000 2.966 491 H HA 0.751 5.306 4.556 -0.001 0.000 0.330 491 H C 0.499 175.917 175.328 0.150 0.000 1.292 491 H CA -0.378 55.665 56.048 -0.008 0.000 1.127 491 H CB 1.142 30.746 29.762 -0.263 0.000 1.863 491 H HN 0.655 nan 8.280 nan 0.000 0.543 492 A N 0.128 123.122 122.820 0.291 0.000 1.958 492 A HA -0.215 4.105 4.320 -0.001 0.000 0.221 492 A C 1.560 179.266 177.584 0.202 0.000 1.178 492 A CA 2.033 54.216 52.037 0.243 0.000 0.642 492 A CB -0.702 18.368 19.000 0.116 0.000 0.816 492 A HN 0.726 nan 8.150 nan 0.000 0.453 493 E N -0.103 120.318 120.200 0.368 0.000 2.489 493 E HA -0.009 4.341 4.350 -0.001 0.000 0.193 493 E C 1.497 178.142 176.600 0.076 0.000 1.057 493 E CA 0.870 57.405 56.400 0.225 0.000 0.866 493 E CB -0.070 29.782 29.700 0.254 0.000 0.916 493 E HN 0.750 nan 8.360 nan 0.000 0.500 494 S N -0.243 115.373 115.700 -0.139 0.000 2.554 494 S HA 0.135 4.604 4.470 -0.001 0.000 0.226 494 S C 0.705 175.211 174.600 -0.157 0.000 0.980 494 S CA -0.479 57.599 58.200 -0.204 0.000 0.939 494 S CB 0.183 63.136 63.200 -0.412 0.000 0.832 494 S HN -0.028 nan 8.310 nan 0.000 0.486 495 K N 1.451 121.714 120.400 -0.227 0.000 2.322 495 K HA 0.317 4.637 4.320 -0.001 0.000 0.283 495 K C -0.286 176.109 176.600 -0.341 0.000 1.042 495 K CA -0.681 55.259 56.287 -0.577 0.000 0.958 495 K CB 0.377 32.380 32.500 -0.828 0.000 0.984 495 K HN 0.120 nan 8.250 nan 0.000 0.473 496 L N 0.000 121.028 121.223 -0.325 0.000 2.949 496 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 496 L CA 0.000 54.727 54.840 -0.189 0.000 0.813 496 L CB 0.000 41.972 42.059 -0.144 0.000 0.961 496 L HN 0.000 nan 8.230 nan 0.000 0.502