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 2gce_1_B DATA FIRST_RESID 2 DATA SEQUENCE AGPLSGLRVV ELAGIGPGPH AAMILGDLGA DVVRIDRPXX XXXISRDAML DATA SEQUENCE RNRRIVTADL KSDQGLELAL KLIAKADVLI EGYRPGVTER LGLGPEECAK DATA SEQUENCE VNDRLIYARM TGWGQTGPRS QQAGHDINYI SLNGILHAIG RGDERPVPPL DATA SEQUENCE NLVGDFGGGS MFLLVGILAA LWERQSSGKG QVVDAAMVDG SSVLIQMMWA DATA SEQUENCE MRATGMWTDT RGANMLDGGA PYYDTYECAD GRYVAVGAIE PQFYAAMLAG DATA SEQUENCE LGLDAAELPP QNDRARWPEL RALLTEAFAS HDRDHWGAVF ANSDACVTPV DATA SEQUENCE LAFGEVHNEP HIIERNTFYE ANGGWQPMPA PRFSRTASSQ PRPPAATIDI DATA SEQUENCE EAVLTDWDG 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 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.542 177.584 -0.070 0.000 1.274 2 A CA 0.000 52.008 52.037 -0.049 0.000 0.836 2 A CB 0.000 18.979 19.000 -0.035 0.000 0.831 3 G N 0.456 109.198 108.800 -0.096 0.000 2.588 3 G HA2 0.468 4.428 3.960 -0.001 0.000 0.278 3 G HA3 0.468 4.428 3.960 -0.001 0.000 0.278 3 G C -0.788 173.963 174.900 -0.249 0.000 1.307 3 G CA -0.321 44.673 45.100 -0.177 0.000 1.016 3 G HN 0.017 nan 8.290 nan 0.000 0.503 4 P HA -0.022 nan 4.420 nan 0.000 0.223 4 P C 1.282 178.431 177.300 -0.253 0.000 1.151 4 P CA 0.868 63.720 63.100 -0.414 0.000 0.787 4 P CB 0.219 31.463 31.700 -0.760 0.000 0.788 5 L N -0.768 120.324 121.223 -0.218 0.000 2.628 5 L HA 0.162 4.501 4.340 -0.001 0.000 0.229 5 L C 1.232 178.042 176.870 -0.100 0.000 1.137 5 L CA -0.235 54.525 54.840 -0.135 0.000 0.909 5 L CB -0.301 41.691 42.059 -0.111 0.000 1.137 5 L HN -0.070 nan 8.230 nan 0.000 0.470 6 S N 0.333 115.972 115.700 -0.101 0.000 2.558 6 S HA 0.211 4.681 4.470 -0.001 0.000 0.293 6 S C 1.381 175.938 174.600 -0.072 0.000 1.292 6 S CA 1.029 59.185 58.200 -0.074 0.000 1.063 6 S CB 0.545 63.703 63.200 -0.070 0.000 0.831 6 S HN 0.681 nan 8.310 nan 0.000 0.499 7 G N 2.991 111.751 108.800 -0.066 0.000 2.284 7 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.230 7 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.230 7 G C 0.001 174.831 174.900 -0.118 0.000 1.021 7 G CA 0.120 45.169 45.100 -0.086 0.000 0.619 7 G HN 1.034 nan 8.290 nan 0.000 0.510 8 L N 2.657 123.820 121.223 -0.101 0.000 2.361 8 L HA 0.619 4.959 4.340 -0.001 0.000 0.278 8 L C 0.744 177.537 176.870 -0.128 0.000 1.113 8 L CA -0.260 54.512 54.840 -0.113 0.000 0.849 8 L CB 0.366 42.378 42.059 -0.079 0.000 1.155 8 L HN 0.281 nan 8.230 nan 0.000 0.452 9 R N 4.331 124.692 120.500 -0.232 0.000 2.229 9 R HA 0.614 4.953 4.340 -0.001 0.000 0.328 9 R C -1.266 174.946 176.300 -0.147 0.000 1.009 9 R CA -0.715 55.188 56.100 -0.328 0.000 0.864 9 R CB 1.475 31.187 30.300 -0.980 0.000 1.085 9 R HN 0.424 nan 8.270 nan 0.000 0.453 10 V N 4.004 123.960 119.914 0.071 0.000 2.531 10 V HA 0.278 4.397 4.120 -0.001 0.000 0.301 10 V C -0.159 176.061 176.094 0.210 0.000 1.034 10 V CA -0.924 61.433 62.300 0.095 0.000 0.865 10 V CB 2.114 33.968 31.823 0.053 0.000 0.995 10 V HN 0.449 nan 8.190 nan 0.000 0.424 11 V N 4.150 124.157 119.914 0.155 0.000 2.407 11 V HA 0.416 4.536 4.120 -0.001 0.000 0.278 11 V C 0.129 176.241 176.094 0.030 0.000 1.037 11 V CA -0.336 62.036 62.300 0.120 0.000 0.900 11 V CB 1.528 33.423 31.823 0.121 0.000 0.983 11 V HN 0.965 nan 8.190 nan 0.000 0.459 12 E N 5.276 125.490 120.200 0.023 0.000 2.165 12 E HA 0.448 4.797 4.350 -0.001 0.000 0.266 12 E C -1.336 175.261 176.600 -0.006 0.000 0.889 12 E CA -0.703 55.692 56.400 -0.009 0.000 0.756 12 E CB 1.395 31.096 29.700 0.002 0.000 1.131 12 E HN 0.638 nan 8.360 nan 0.000 0.411 13 L N 3.664 124.869 121.223 -0.030 0.000 2.278 13 L HA 0.378 4.717 4.340 -0.001 0.000 0.287 13 L C 0.537 177.406 176.870 -0.002 0.000 1.072 13 L CA -0.720 54.136 54.840 0.026 0.000 0.819 13 L CB 1.095 43.206 42.059 0.088 0.000 1.176 13 L HN 0.639 nan 8.230 nan 0.000 0.435 14 A N 3.407 126.268 122.820 0.068 0.000 2.573 14 A HA 0.404 4.724 4.320 -0.001 0.000 0.250 14 A C 0.707 178.328 177.584 0.061 0.000 1.049 14 A CA 0.851 52.925 52.037 0.062 0.000 0.767 14 A CB -0.309 18.739 19.000 0.081 0.000 0.965 14 A HN 0.895 nan 8.150 nan 0.000 0.514 15 G N 0.978 109.777 108.800 -0.001 0.000 3.135 15 G HA2 0.686 4.645 3.960 -0.001 0.000 0.278 15 G HA3 0.686 4.645 3.960 -0.001 0.000 0.278 15 G C -0.517 174.407 174.900 0.040 0.000 1.302 15 G CA -0.212 44.880 45.100 -0.013 0.000 0.880 15 G HN 1.471 nan 8.290 nan 0.000 0.574 16 I N -3.026 117.572 120.570 0.045 0.000 2.608 16 I HA 0.807 4.976 4.170 -0.001 0.000 0.295 16 I C 0.682 176.848 176.117 0.081 0.000 1.049 16 I CA -0.038 61.310 61.300 0.080 0.000 1.063 16 I CB 1.897 39.956 38.000 0.100 0.000 1.248 16 I HN 1.584 nan 8.210 nan 0.000 0.424 17 G N 5.651 114.528 108.800 0.128 0.000 2.650 17 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.264 17 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.264 17 G C -1.810 173.223 174.900 0.223 0.000 1.263 17 G CA 0.249 45.424 45.100 0.125 0.000 0.960 17 G HN 0.572 nan 8.290 nan 0.000 0.548 18 P HA -0.013 nan 4.420 nan 0.000 0.215 18 P C 2.156 179.577 177.300 0.203 0.000 1.157 18 P CA 2.882 66.092 63.100 0.184 0.000 0.863 18 P CB -0.846 30.875 31.700 0.035 0.000 0.787 19 G N 1.491 110.344 108.800 0.087 0.000 2.553 19 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.218 19 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.218 19 G C -0.754 174.192 174.900 0.077 0.000 1.195 19 G CA 1.583 46.707 45.100 0.041 0.000 0.779 19 G HN 0.288 nan 8.290 nan 0.000 0.577 20 P HA -0.034 nan 4.420 nan 0.000 0.220 20 P C 1.217 178.600 177.300 0.139 0.000 1.148 20 P CA 1.354 64.517 63.100 0.104 0.000 0.803 20 P CB -0.060 31.706 31.700 0.110 0.000 0.782 21 H N 0.198 119.339 119.070 0.118 0.000 2.363 21 H HA 0.075 4.631 4.556 -0.001 0.000 0.301 21 H C 1.890 177.255 175.328 0.062 0.000 1.074 21 H CA 1.775 57.875 56.048 0.087 0.000 1.354 21 H CB -0.628 29.255 29.762 0.202 0.000 1.397 21 H HN -0.052 nan 8.280 nan 0.000 0.516 22 A N 0.879 123.748 122.820 0.082 0.000 1.877 22 A HA -0.060 4.260 4.320 -0.001 0.000 0.216 22 A C 2.597 180.160 177.584 -0.035 0.000 1.186 22 A CA 1.732 53.770 52.037 0.001 0.000 0.620 22 A CB -1.369 17.668 19.000 0.062 0.000 0.822 22 A HN 0.593 nan 8.150 nan 0.000 0.443 23 A N -0.634 122.183 122.820 -0.005 0.000 1.908 23 A HA -0.177 4.143 4.320 -0.001 0.000 0.218 23 A C 2.284 179.853 177.584 -0.026 0.000 1.181 23 A CA 1.957 53.989 52.037 -0.008 0.000 0.627 23 A CB -0.566 18.439 19.000 0.008 0.000 0.818 23 A HN 0.622 nan 8.150 nan 0.000 0.445 24 M N -0.521 119.054 119.600 -0.043 0.000 2.108 24 M HA -0.138 4.342 4.480 -0.001 0.000 0.261 24 M C 1.929 178.173 176.300 -0.093 0.000 1.066 24 M CA 1.904 57.169 55.300 -0.060 0.000 1.107 24 M CB -0.317 32.240 32.600 -0.071 0.000 1.356 24 M HN 0.441 nan 8.290 nan 0.000 0.406 25 I N 0.332 120.807 120.570 -0.158 0.000 2.315 25 I HA -0.317 3.853 4.170 -0.001 0.000 0.248 25 I C 2.180 178.259 176.117 -0.064 0.000 1.117 25 I CA 0.978 62.199 61.300 -0.133 0.000 1.404 25 I CB -0.366 37.522 38.000 -0.186 0.000 1.071 25 I HN 0.349 nan 8.210 nan 0.000 0.419 26 L N 0.358 121.550 121.223 -0.053 0.000 1.994 26 L HA -0.150 4.189 4.340 -0.001 0.000 0.208 26 L C 2.746 179.597 176.870 -0.031 0.000 1.071 26 L CA 1.748 56.567 54.840 -0.035 0.000 0.745 26 L CB -1.343 40.702 42.059 -0.023 0.000 0.892 26 L HN 0.308 nan 8.230 nan 0.000 0.431 27 G N -0.335 108.451 108.800 -0.023 0.000 2.446 27 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.217 27 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.217 27 G C 1.115 176.000 174.900 -0.026 0.000 1.168 27 G CA 1.088 46.178 45.100 -0.016 0.000 0.771 27 G HN 0.300 nan 8.290 nan 0.000 0.551 28 D N 0.480 120.862 120.400 -0.031 0.000 2.133 28 D HA -0.109 4.530 4.640 -0.001 0.000 0.192 28 D C 2.285 178.569 176.300 -0.026 0.000 1.001 28 D CA 0.775 54.758 54.000 -0.028 0.000 0.844 28 D CB -0.288 40.497 40.800 -0.024 0.000 0.944 28 D HN 0.300 nan 8.370 nan 0.000 0.447 29 L N -1.233 119.970 121.223 -0.033 0.000 2.611 29 L HA 0.249 4.589 4.340 -0.001 0.000 0.229 29 L C 1.398 178.203 176.870 -0.108 0.000 1.137 29 L CA 0.461 55.262 54.840 -0.066 0.000 0.901 29 L CB 0.081 42.098 42.059 -0.071 0.000 1.098 29 L HN 0.216 nan 8.230 nan 0.000 0.456 30 G N -0.208 108.550 108.800 -0.071 0.000 2.192 30 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.193 30 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.193 30 G C 0.440 175.312 174.900 -0.046 0.000 0.999 30 G CA -0.138 44.922 45.100 -0.065 0.000 0.659 30 G HN 0.431 nan 8.290 nan 0.000 0.503 31 A N 0.333 123.129 122.820 -0.040 0.000 2.483 31 A HA 0.478 4.797 4.320 -0.001 0.000 0.238 31 A C 0.333 177.929 177.584 0.019 0.000 1.070 31 A CA 0.705 52.730 52.037 -0.020 0.000 0.770 31 A CB 0.343 19.332 19.000 -0.019 0.000 1.008 31 A HN 0.377 nan 8.150 nan 0.000 0.497 32 D N 2.182 122.614 120.400 0.052 0.000 2.422 32 D HA 0.345 4.985 4.640 -0.001 0.000 0.227 32 D C -0.626 175.803 176.300 0.215 0.000 1.190 32 D CA 0.114 54.203 54.000 0.149 0.000 0.905 32 D CB 0.117 41.052 40.800 0.225 0.000 1.034 32 D HN 0.119 nan 8.370 nan 0.000 0.507 33 V N 3.914 123.913 119.914 0.142 0.000 2.394 33 V HA 0.347 4.466 4.120 -0.001 0.000 0.282 33 V C 0.347 176.504 176.094 0.104 0.000 1.031 33 V CA -0.862 61.514 62.300 0.128 0.000 0.881 33 V CB 1.778 33.637 31.823 0.060 0.000 0.982 33 V HN 0.233 nan 8.190 nan 0.000 0.451 34 V N 5.666 125.646 119.914 0.110 0.000 2.378 34 V HA 0.491 4.610 4.120 -0.001 0.000 0.288 34 V C 0.100 176.194 176.094 0.000 0.000 1.016 34 V CA -0.689 61.604 62.300 -0.012 0.000 0.840 34 V CB 1.585 33.290 31.823 -0.196 0.000 0.994 34 V HN 0.892 nan 8.190 nan 0.000 0.431 35 R N 5.146 125.639 120.500 -0.012 0.000 2.294 35 R HA 0.624 4.963 4.340 -0.001 0.000 0.319 35 R C -1.013 175.284 176.300 -0.006 0.000 0.984 35 R CA -0.555 55.546 56.100 0.001 0.000 0.861 35 R CB 0.949 31.254 30.300 0.009 0.000 1.104 35 R HN 0.699 nan 8.270 nan 0.000 0.451 36 I N 4.192 124.767 120.570 0.009 0.000 2.304 36 I HA 0.188 4.357 4.170 -0.001 0.000 0.291 36 I C -0.041 176.099 176.117 0.037 0.000 1.018 36 I CA -0.267 61.041 61.300 0.014 0.000 1.260 36 I CB 1.271 39.285 38.000 0.023 0.000 1.390 36 I HN 0.525 nan 8.210 nan 0.000 0.475 37 D N 6.033 126.449 120.400 0.026 0.000 2.299 37 D HA 0.381 5.020 4.640 -0.001 0.000 0.243 37 D C -0.081 176.237 176.300 0.030 0.000 0.982 37 D CA -0.674 53.348 54.000 0.038 0.000 0.924 37 D CB 1.752 42.569 40.800 0.028 0.000 1.238 37 D HN 0.342 nan 8.370 nan 0.000 0.484 38 R N 1.420 121.941 120.500 0.035 0.000 2.679 38 R HA 0.213 4.553 4.340 -0.001 0.000 0.268 38 R C -1.835 174.474 176.300 0.014 0.000 1.044 38 R CA -0.791 55.322 56.100 0.021 0.000 1.105 38 R CB -0.177 30.135 30.300 0.021 0.000 0.989 38 R HN 0.230 nan 8.270 nan 0.000 0.447 46 S N 5.632 121.334 115.700 0.003 0.000 2.576 46 S HA 0.442 4.911 4.470 -0.001 0.000 0.276 46 S C 0.732 175.335 174.600 0.005 0.000 1.339 46 S CA -0.318 57.886 58.200 0.006 0.000 1.039 46 S CB 0.722 63.928 63.200 0.011 0.000 0.902 46 S HN 0.678 nan 8.310 nan 0.000 0.516 47 R N 1.965 122.468 120.500 0.004 0.000 2.546 47 R HA 0.148 4.488 4.340 -0.001 0.000 0.320 47 R C -0.989 175.312 176.300 0.001 0.000 1.021 47 R CA -0.126 55.974 56.100 -0.001 0.000 1.088 47 R CB -0.174 30.123 30.300 -0.005 0.000 1.278 47 R HN 0.630 nan 8.270 nan 0.000 0.557 48 D N 0.080 120.486 120.400 0.010 0.000 2.380 48 D HA 0.191 4.830 4.640 -0.001 0.000 0.230 48 D C 0.957 177.269 176.300 0.019 0.000 1.154 48 D CA -0.305 53.703 54.000 0.015 0.000 0.859 48 D CB 1.452 42.267 40.800 0.025 0.000 1.045 48 D HN -0.111 nan 8.370 nan 0.000 0.495 49 A N 3.254 126.081 122.820 0.012 0.000 2.070 49 A HA -0.217 4.103 4.320 -0.001 0.000 0.220 49 A C 1.901 179.509 177.584 0.040 0.000 1.159 49 A CA 1.066 53.117 52.037 0.024 0.000 0.656 49 A CB -0.669 18.334 19.000 0.004 0.000 0.800 49 A HN 0.676 nan 8.150 nan 0.000 0.453 50 M N -0.539 119.083 119.600 0.036 0.000 2.279 50 M HA -0.029 4.450 4.480 -0.001 0.000 0.264 50 M C 0.892 177.219 176.300 0.045 0.000 1.062 50 M CA 1.133 56.461 55.300 0.047 0.000 1.099 50 M CB -0.629 32.008 32.600 0.061 0.000 1.394 50 M HN 0.242 nan 8.290 nan 0.000 0.426 51 L N 2.017 123.264 121.223 0.039 0.000 2.715 51 L HA 0.181 4.520 4.340 -0.001 0.000 0.238 51 L C 0.968 177.856 176.870 0.030 0.000 1.212 51 L CA -0.471 54.389 54.840 0.033 0.000 1.017 51 L CB -1.018 41.058 42.059 0.029 0.000 1.269 51 L HN 0.341 nan 8.230 nan 0.000 0.452 52 R N -0.463 120.060 120.500 0.038 0.000 2.738 52 R HA 0.070 4.410 4.340 -0.001 0.000 0.268 52 R C -0.141 176.172 176.300 0.022 0.000 1.062 52 R CA -0.446 55.678 56.100 0.041 0.000 1.158 52 R CB 0.173 30.517 30.300 0.075 0.000 1.046 52 R HN 0.123 nan 8.270 nan 0.000 0.493 53 N N 0.598 119.306 118.700 0.012 0.000 2.756 53 N HA -0.138 4.601 4.740 -0.001 0.000 0.248 53 N C -1.216 174.299 175.510 0.009 0.000 1.062 53 N CA 1.016 54.067 53.050 0.002 0.000 0.696 53 N CB -0.485 37.998 38.487 -0.007 0.000 0.946 53 N HN 0.628 nan 8.380 nan 0.000 0.548 54 R N 0.043 120.549 120.500 0.009 0.000 2.905 54 R HA 0.550 4.890 4.340 -0.001 0.000 0.260 54 R C 0.297 176.597 176.300 -0.000 0.000 1.086 54 R CA -0.702 55.404 56.100 0.010 0.000 0.978 54 R CB 1.379 31.684 30.300 0.008 0.000 1.215 54 R HN 0.065 nan 8.270 nan 0.000 0.480 55 R N 0.689 121.182 120.500 -0.012 0.000 2.514 55 R HA 0.540 4.880 4.340 -0.001 0.000 0.301 55 R C -0.345 175.930 176.300 -0.042 0.000 0.962 55 R CA -0.835 55.242 56.100 -0.038 0.000 0.882 55 R CB 1.329 31.584 30.300 -0.074 0.000 1.143 55 R HN 0.334 nan 8.270 nan 0.000 0.452 56 I N 4.196 124.743 120.570 -0.039 0.000 2.378 56 I HA 0.302 4.472 4.170 -0.001 0.000 0.291 56 I C 0.424 176.513 176.117 -0.047 0.000 0.992 56 I CA -0.768 60.512 61.300 -0.033 0.000 1.154 56 I CB 1.243 39.234 38.000 -0.015 0.000 1.315 56 I HN 0.391 nan 8.210 nan 0.000 0.448 57 V N 2.836 122.718 119.914 -0.053 0.000 3.166 57 V HA 0.844 4.963 4.120 -0.001 0.000 0.317 57 V C -0.254 175.821 176.094 -0.032 0.000 1.136 57 V CA -0.436 61.831 62.300 -0.056 0.000 1.035 57 V CB 2.111 33.881 31.823 -0.088 0.000 1.110 57 V HN 0.788 nan 8.190 nan 0.000 0.450 58 T N 0.664 115.202 114.554 -0.027 0.000 2.912 58 T HA 0.850 5.199 4.350 -0.001 0.000 0.299 58 T C -0.849 173.845 174.700 -0.011 0.000 1.052 58 T CA 0.231 62.324 62.100 -0.012 0.000 0.996 58 T CB 1.361 70.225 68.868 -0.008 0.000 1.070 58 T HN 1.823 nan 8.240 nan 0.000 0.465 59 A N 2.703 125.522 122.820 -0.001 0.000 2.555 59 A HA 0.554 4.874 4.320 -0.001 0.000 0.297 59 A C -1.437 176.150 177.584 0.005 0.000 1.060 59 A CA -0.746 51.291 52.037 0.000 0.000 0.710 59 A CB 1.471 20.471 19.000 0.000 0.000 1.282 59 A HN 0.701 nan 8.150 nan 0.000 0.399 60 D N 2.632 123.033 120.400 0.002 0.000 2.359 60 D HA 0.288 4.927 4.640 -0.001 0.000 0.250 60 D C 0.821 177.121 176.300 0.000 0.000 1.264 60 D CA -0.116 53.884 54.000 -0.000 0.000 0.911 60 D CB 0.265 41.064 40.800 -0.002 0.000 1.056 60 D HN 0.425 nan 8.370 nan 0.000 0.499 61 L N 3.240 124.462 121.223 -0.001 0.000 2.465 61 L HA -0.023 4.316 4.340 -0.001 0.000 0.224 61 L C 2.081 178.947 176.870 -0.006 0.000 1.145 61 L CA 0.518 55.359 54.840 0.002 0.000 0.834 61 L CB -0.120 41.941 42.059 0.003 0.000 0.944 61 L HN 0.276 nan 8.230 nan 0.000 0.451 62 K N 0.076 120.468 120.400 -0.013 0.000 2.426 62 K HA 0.072 4.392 4.320 -0.001 0.000 0.193 62 K C 0.967 177.564 176.600 -0.006 0.000 1.028 62 K CA 0.147 56.426 56.287 -0.013 0.000 1.047 62 K CB 0.319 32.808 32.500 -0.019 0.000 0.821 62 K HN 0.333 nan 8.250 nan 0.000 0.513 63 S N 0.124 115.823 115.700 -0.002 0.000 2.608 63 S HA 0.214 4.683 4.470 -0.001 0.000 0.291 63 S C 0.564 175.166 174.600 0.003 0.000 1.146 63 S CA -0.765 57.435 58.200 0.000 0.000 1.043 63 S CB 1.880 65.079 63.200 -0.000 0.000 1.037 63 S HN -0.092 nan 8.310 nan 0.000 0.520 64 D N 1.018 121.421 120.400 0.004 0.000 2.104 64 D HA -0.159 4.481 4.640 -0.001 0.000 0.194 64 D C 1.820 178.124 176.300 0.007 0.000 0.994 64 D CA 1.629 55.633 54.000 0.006 0.000 0.830 64 D CB -0.318 40.485 40.800 0.005 0.000 0.959 64 D HN 0.818 nan 8.370 nan 0.000 0.452 65 Q N 0.280 120.083 119.800 0.005 0.000 2.124 65 Q HA -0.100 4.239 4.340 -0.001 0.000 0.202 65 Q C 2.093 178.096 176.000 0.005 0.000 0.977 65 Q CA 1.726 57.531 55.803 0.004 0.000 0.850 65 Q CB -0.247 28.492 28.738 0.001 0.000 0.901 65 Q HN 0.271 nan 8.270 nan 0.000 0.429 66 G N 1.178 109.981 108.800 0.004 0.000 2.402 66 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.216 66 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.216 66 G C 1.340 176.247 174.900 0.012 0.000 1.162 66 G CA 0.735 45.839 45.100 0.006 0.000 0.777 66 G HN 0.382 nan 8.290 nan 0.000 0.539 67 L N 0.805 122.037 121.223 0.015 0.000 2.012 67 L HA -0.011 4.328 4.340 -0.001 0.000 0.210 67 L C 2.512 179.398 176.870 0.026 0.000 1.073 67 L CA 2.659 57.512 54.840 0.023 0.000 0.748 67 L CB -0.774 41.299 42.059 0.022 0.000 0.891 67 L HN 0.414 nan 8.230 nan 0.000 0.431 68 E N -0.768 119.444 120.200 0.020 0.000 2.110 68 E HA -0.227 4.122 4.350 -0.001 0.000 0.193 68 E C 2.246 178.859 176.600 0.022 0.000 0.988 68 E CA 1.471 57.884 56.400 0.022 0.000 0.804 68 E CB -0.168 29.541 29.700 0.016 0.000 0.745 68 E HN 0.601 nan 8.360 nan 0.000 0.458 69 L N 0.137 121.369 121.223 0.015 0.000 2.056 69 L HA -0.122 4.218 4.340 -0.001 0.000 0.207 69 L C 2.628 179.508 176.870 0.016 0.000 1.078 69 L CA 0.994 55.840 54.840 0.009 0.000 0.749 69 L CB -0.405 41.651 42.059 -0.004 0.000 0.901 69 L HN 0.184 nan 8.230 nan 0.000 0.433 70 A N 0.077 122.910 122.820 0.021 0.000 1.908 70 A HA -0.204 4.116 4.320 -0.001 0.000 0.218 70 A C 2.239 179.855 177.584 0.055 0.000 1.181 70 A CA 1.577 53.634 52.037 0.034 0.000 0.627 70 A CB -0.795 18.229 19.000 0.040 0.000 0.818 70 A HN 0.371 nan 8.150 nan 0.000 0.445 71 L N -0.998 120.257 121.223 0.054 0.000 2.191 71 L HA -0.179 4.160 4.340 -0.001 0.000 0.212 71 L C 2.500 179.412 176.870 0.069 0.000 1.103 71 L CA 1.470 56.349 54.840 0.064 0.000 0.769 71 L CB -0.283 41.809 42.059 0.055 0.000 0.908 71 L HN 0.377 nan 8.230 nan 0.000 0.438 72 K N -0.547 119.889 120.400 0.060 0.000 2.167 72 K HA -0.128 4.192 4.320 -0.001 0.000 0.203 72 K C 1.987 178.650 176.600 0.106 0.000 1.052 72 K CA 0.782 57.110 56.287 0.068 0.000 0.956 72 K CB -0.014 32.514 32.500 0.047 0.000 0.735 72 K HN 0.090 nan 8.250 nan 0.000 0.451 73 L N 1.158 122.442 121.223 0.102 0.000 2.072 73 L HA -0.066 4.273 4.340 -0.001 0.000 0.205 73 L C 1.943 178.975 176.870 0.269 0.000 1.079 73 L CA 1.329 56.266 54.840 0.162 0.000 0.752 73 L CB -0.080 42.006 42.059 0.045 0.000 0.906 73 L HN 0.089 nan 8.230 nan 0.000 0.436 74 I N -0.774 119.897 120.570 0.168 0.000 2.315 74 I HA -0.276 3.893 4.170 -0.001 0.000 0.248 74 I C 2.498 178.684 176.117 0.115 0.000 1.117 74 I CA 1.056 62.440 61.300 0.140 0.000 1.404 74 I CB -0.505 37.554 38.000 0.100 0.000 1.071 74 I HN 0.279 nan 8.210 nan 0.000 0.419 75 A N 0.082 122.966 122.820 0.106 0.000 2.093 75 A HA -0.207 4.112 4.320 -0.001 0.000 0.222 75 A C 2.036 179.658 177.584 0.063 0.000 1.162 75 A CA 1.695 53.779 52.037 0.078 0.000 0.655 75 A CB -0.218 18.826 19.000 0.073 0.000 0.805 75 A HN 0.250 nan 8.150 nan 0.000 0.461 76 K N -1.307 119.152 120.400 0.099 0.000 2.402 76 K HA 0.420 4.739 4.320 -0.001 0.000 0.204 76 K C 0.399 176.890 176.600 -0.182 0.000 1.056 76 K CA 0.614 56.914 56.287 0.021 0.000 1.069 76 K CB 0.387 32.981 32.500 0.156 0.000 0.888 76 K HN 0.416 nan 8.250 nan 0.000 0.546 77 A N 0.952 123.712 122.820 -0.100 0.000 2.271 77 A HA 0.292 4.611 4.320 -0.001 0.000 0.288 77 A C 0.436 177.924 177.584 -0.159 0.000 1.094 77 A CA -0.276 51.636 52.037 -0.208 0.000 0.828 77 A CB 0.589 19.597 19.000 0.013 0.000 1.091 77 A HN -0.001 nan 8.150 nan 0.000 0.493 78 D N -0.822 119.476 120.400 -0.169 0.000 2.324 78 D HA 0.167 4.807 4.640 -0.001 0.000 0.212 78 D C -0.077 176.191 176.300 -0.053 0.000 0.984 78 D CA 1.243 55.180 54.000 -0.105 0.000 0.885 78 D CB 0.551 41.281 40.800 -0.116 0.000 0.996 78 D HN 0.212 nan 8.370 nan 0.000 0.505 79 V N 1.410 121.295 119.914 -0.048 0.000 2.841 79 V HA 0.376 4.496 4.120 -0.001 0.000 0.310 79 V C -1.007 175.065 176.094 -0.037 0.000 1.090 79 V CA -0.970 61.312 62.300 -0.030 0.000 0.930 79 V CB 2.941 34.750 31.823 -0.025 0.000 1.014 79 V HN -0.089 nan 8.190 nan 0.000 0.425 80 L N 5.066 126.235 121.223 -0.089 0.000 2.356 80 L HA 0.710 5.049 4.340 -0.001 0.000 0.277 80 L C -0.913 175.830 176.870 -0.213 0.000 0.996 80 L CA -0.013 54.725 54.840 -0.169 0.000 0.822 80 L CB 1.450 43.318 42.059 -0.319 0.000 1.256 80 L HN 0.582 nan 8.230 nan 0.000 0.413 81 I N 4.432 124.910 120.570 -0.153 0.000 2.362 81 I HA 0.472 4.641 4.170 -0.001 0.000 0.289 81 I C -0.781 175.229 176.117 -0.179 0.000 0.994 81 I CA -0.471 60.746 61.300 -0.138 0.000 1.158 81 I CB 1.705 39.662 38.000 -0.072 0.000 1.315 81 I HN 0.710 nan 8.210 nan 0.000 0.451 82 E N 4.421 124.501 120.200 -0.200 0.000 2.272 82 E HA 0.671 5.021 4.350 -0.001 0.000 0.269 82 E C -0.294 176.152 176.600 -0.256 0.000 0.877 82 E CA -0.882 55.364 56.400 -0.257 0.000 0.755 82 E CB 1.899 31.515 29.700 -0.141 0.000 1.192 82 E HN 0.568 nan 8.360 nan 0.000 0.422 83 G N 2.238 110.761 108.800 -0.462 0.000 4.250 83 G HA2 0.212 4.171 3.960 -0.001 0.000 0.295 83 G HA3 0.212 4.171 3.960 -0.001 0.000 0.295 83 G C -0.848 173.895 174.900 -0.262 0.000 1.081 83 G CA -0.342 44.581 45.100 -0.294 0.000 0.854 83 G HN 0.403 nan 8.290 nan 0.000 0.524 84 Y N 0.171 120.491 120.300 0.032 0.000 2.340 84 Y HA 0.451 5.000 4.550 -0.001 0.000 0.327 84 Y C 1.359 177.281 175.900 0.036 0.000 1.321 84 Y CA -1.005 57.115 58.100 0.034 0.000 1.433 84 Y CB 0.769 39.254 38.460 0.043 0.000 1.373 84 Y HN -0.116 nan 8.280 nan 0.000 0.538 85 R N 1.423 122.057 120.500 0.223 0.000 2.697 85 R HA 0.021 4.361 4.340 -0.001 0.000 0.265 85 R C -2.450 173.934 176.300 0.140 0.000 1.009 85 R CA -1.327 54.859 56.100 0.143 0.000 1.099 85 R CB -0.273 30.097 30.300 0.116 0.000 0.965 85 R HN 0.280 nan 8.270 nan 0.000 0.428 86 P HA -0.079 nan 4.420 nan 0.000 0.265 86 P C 0.495 177.844 177.300 0.082 0.000 1.187 86 P CA 1.094 64.250 63.100 0.094 0.000 0.766 86 P CB 0.615 32.358 31.700 0.072 0.000 0.820 87 G N 0.774 109.620 108.800 0.076 0.000 2.268 87 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.240 87 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.240 87 G C 1.051 175.988 174.900 0.060 0.000 1.010 87 G CA 0.259 45.393 45.100 0.056 0.000 0.618 87 G HN 0.401 nan 8.290 nan 0.000 0.516 88 V N 2.018 121.983 119.914 0.084 0.000 2.270 88 V HA -0.162 3.957 4.120 -0.001 0.000 0.245 88 V C 3.258 179.382 176.094 0.050 0.000 1.043 88 V CA 3.577 65.904 62.300 0.045 0.000 1.014 88 V CB -1.129 30.713 31.823 0.031 0.000 0.645 88 V HN 0.909 nan 8.190 nan 0.000 0.447 89 T N -1.613 113.032 114.554 0.151 0.000 2.788 89 T HA -0.238 4.112 4.350 -0.001 0.000 0.268 89 T C 1.631 176.400 174.700 0.115 0.000 1.044 89 T CA 1.703 63.907 62.100 0.173 0.000 1.139 89 T CB -0.402 68.656 68.868 0.315 0.000 0.867 89 T HN 0.463 nan 8.240 nan 0.000 0.454 90 E N 1.425 121.678 120.200 0.087 0.000 2.049 90 E HA -0.080 4.269 4.350 -0.001 0.000 0.198 90 E C 2.515 179.135 176.600 0.033 0.000 1.007 90 E CA 1.298 57.725 56.400 0.045 0.000 0.809 90 E CB -0.259 29.456 29.700 0.025 0.000 0.749 90 E HN 0.519 nan 8.360 nan 0.000 0.450 91 R N -0.027 120.488 120.500 0.024 0.000 2.237 91 R HA -0.020 4.320 4.340 -0.001 0.000 0.219 91 R C 2.073 178.377 176.300 0.007 0.000 1.080 91 R CA 0.615 56.721 56.100 0.010 0.000 0.995 91 R CB -0.160 30.142 30.300 0.002 0.000 0.875 91 R HN 0.212 nan 8.270 nan 0.000 0.462 92 L N -0.961 120.270 121.223 0.012 0.000 2.341 92 L HA 0.104 4.444 4.340 -0.001 0.000 0.214 92 L C 1.245 178.132 176.870 0.027 0.000 1.115 92 L CA 0.681 55.526 54.840 0.010 0.000 0.820 92 L CB 0.115 42.177 42.059 0.005 0.000 0.944 92 L HN 0.460 nan 8.230 nan 0.000 0.452 93 G N 0.029 108.852 108.800 0.039 0.000 2.141 93 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.231 93 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.231 93 G C 0.435 175.376 174.900 0.068 0.000 0.984 93 G CA 0.004 45.130 45.100 0.043 0.000 0.660 93 G HN 0.278 nan 8.290 nan 0.000 0.525 94 L N 0.924 122.207 121.223 0.100 0.000 3.014 94 L HA 0.435 4.775 4.340 -0.001 0.000 0.263 94 L C 1.705 178.727 176.870 0.252 0.000 1.207 94 L CA 0.000 54.934 54.840 0.156 0.000 1.017 94 L CB 0.414 42.563 42.059 0.150 0.000 1.360 94 L HN 0.311 nan 8.230 nan 0.000 0.560 95 G N 0.403 109.295 108.800 0.154 0.000 2.634 95 G HA2 0.175 4.135 3.960 -0.001 0.000 0.255 95 G HA3 0.175 4.135 3.960 -0.001 0.000 0.255 95 G C -1.827 173.015 174.900 -0.097 0.000 1.205 95 G CA -0.760 44.377 45.100 0.062 0.000 0.884 95 G HN -0.026 nan 8.290 nan 0.000 0.549 96 P HA -0.085 nan 4.420 nan 0.000 0.216 96 P C 1.488 178.668 177.300 -0.200 0.000 1.150 96 P CA 1.355 64.061 63.100 -0.658 0.000 0.837 96 P CB 0.230 31.467 31.700 -0.772 0.000 0.786 97 E N -0.555 119.562 120.200 -0.139 0.000 2.106 97 E HA -0.168 4.182 4.350 -0.001 0.000 0.192 97 E C 1.929 178.517 176.600 -0.020 0.000 0.984 97 E CA 0.717 57.079 56.400 -0.063 0.000 0.806 97 E CB -0.359 29.310 29.700 -0.052 0.000 0.750 97 E HN 0.263 nan 8.360 nan 0.000 0.458 98 E N 0.269 120.468 120.200 -0.003 0.000 2.152 98 E HA -0.106 4.243 4.350 -0.001 0.000 0.192 98 E C 2.087 178.721 176.600 0.056 0.000 0.983 98 E CA 0.497 56.915 56.400 0.030 0.000 0.818 98 E CB -0.241 29.485 29.700 0.044 0.000 0.758 98 E HN 0.268 nan 8.360 nan 0.000 0.467 99 C N 0.522 119.873 119.300 0.084 0.000 2.450 99 C HA 0.036 4.495 4.460 -0.001 0.000 0.279 99 C C 2.732 177.772 174.990 0.083 0.000 1.335 99 C CA 0.625 59.718 59.018 0.125 0.000 1.749 99 C CB -0.884 27.011 27.740 0.257 0.000 1.963 99 C HN 0.445 nan 8.230 nan 0.000 0.501 100 A N 0.885 123.735 122.820 0.049 0.000 1.972 100 A HA -0.186 4.133 4.320 -0.001 0.000 0.219 100 A C 2.096 179.696 177.584 0.026 0.000 1.169 100 A CA 1.450 53.507 52.037 0.032 0.000 0.635 100 A CB -0.405 18.601 19.000 0.009 0.000 0.810 100 A HN 0.714 nan 8.150 nan 0.000 0.446 101 K N -0.204 120.212 120.400 0.026 0.000 2.147 101 K HA -0.095 4.225 4.320 -0.001 0.000 0.205 101 K C 1.635 178.251 176.600 0.026 0.000 1.049 101 K CA 1.625 57.925 56.287 0.022 0.000 0.936 101 K CB -0.299 32.214 32.500 0.020 0.000 0.722 101 K HN 0.571 nan 8.250 nan 0.000 0.446 102 V N -2.701 117.235 119.914 0.037 0.000 3.565 102 V HA 0.130 4.250 4.120 -0.001 0.000 0.260 102 V C 0.304 176.419 176.094 0.036 0.000 1.231 102 V CA 0.052 62.375 62.300 0.038 0.000 1.100 102 V CB -0.303 31.549 31.823 0.049 0.000 0.807 102 V HN 0.302 nan 8.190 nan 0.000 0.454 103 N N 1.168 119.891 118.700 0.038 0.000 3.151 103 N HA 0.058 4.798 4.740 -0.001 0.000 0.219 103 N C -0.211 175.319 175.510 0.033 0.000 1.434 103 N CA 0.469 53.539 53.050 0.032 0.000 0.767 103 N CB 0.968 39.479 38.487 0.040 0.000 1.564 103 N HN 0.357 nan 8.380 nan 0.000 0.612 104 D N 1.863 122.275 120.400 0.020 0.000 2.363 104 D HA -0.063 4.577 4.640 -0.001 0.000 0.226 104 D C 0.912 177.221 176.300 0.014 0.000 1.020 104 D CA 0.465 54.476 54.000 0.018 0.000 0.892 104 D CB 0.147 40.952 40.800 0.009 0.000 0.900 104 D HN 0.483 nan 8.370 nan 0.000 0.531 105 R N -0.578 119.927 120.500 0.008 0.000 2.317 105 R HA 0.208 4.547 4.340 -0.001 0.000 0.208 105 R C 0.176 176.482 176.300 0.009 0.000 0.914 105 R CA -0.541 55.558 56.100 -0.002 0.000 1.060 105 R CB 0.058 30.346 30.300 -0.021 0.000 1.015 105 R HN 0.136 nan 8.270 nan 0.000 0.498 106 L N 2.055 123.298 121.223 0.033 0.000 2.410 106 L HA 0.113 4.453 4.340 -0.001 0.000 0.273 106 L C -0.325 176.592 176.870 0.078 0.000 1.144 106 L CA 0.147 55.018 54.840 0.053 0.000 0.863 106 L CB 0.495 42.608 42.059 0.090 0.000 1.140 106 L HN -0.047 nan 8.230 nan 0.000 0.463 107 I N 6.569 127.173 120.570 0.056 0.000 2.308 107 I HA 0.049 4.219 4.170 -0.001 0.000 0.293 107 I C -0.491 175.681 176.117 0.091 0.000 1.078 107 I CA -0.078 61.266 61.300 0.073 0.000 1.292 107 I CB -0.445 37.580 38.000 0.042 0.000 1.423 107 I HN 0.571 nan 8.210 nan 0.000 0.493 108 Y N 5.859 126.172 120.300 0.021 0.000 2.594 108 Y HA 0.560 5.110 4.550 -0.001 0.000 0.342 108 Y C 0.390 176.304 175.900 0.023 0.000 1.010 108 Y CA -0.661 57.454 58.100 0.025 0.000 1.270 108 Y CB 0.785 39.260 38.460 0.026 0.000 1.125 108 Y HN 0.662 nan 8.280 nan 0.000 0.513 109 A N 7.434 130.263 122.820 0.015 0.000 2.260 109 A HA 0.550 4.869 4.320 -0.001 0.000 0.312 109 A C -0.474 177.129 177.584 0.032 0.000 1.321 109 A CA -0.797 51.266 52.037 0.044 0.000 0.928 109 A CB 0.205 19.208 19.000 0.005 0.000 1.158 109 A HN 0.836 nan 8.150 nan 0.000 0.542 110 R N 2.558 123.120 120.500 0.103 0.000 2.246 110 R HA 0.400 4.739 4.340 -0.001 0.000 0.332 110 R C -0.984 175.334 176.300 0.031 0.000 0.974 110 R CA -0.566 55.590 56.100 0.092 0.000 0.837 110 R CB 1.450 31.849 30.300 0.164 0.000 1.145 110 R HN 0.695 nan 8.270 nan 0.000 0.467 111 M N 3.228 122.819 119.600 -0.015 0.000 2.055 111 M HA 0.197 4.677 4.480 -0.001 0.000 0.347 111 M C -0.644 175.609 176.300 -0.079 0.000 1.123 111 M CA -0.046 55.230 55.300 -0.040 0.000 1.035 111 M CB 1.153 33.730 32.600 -0.038 0.000 1.484 111 M HN 0.708 nan 8.290 nan 0.000 0.428 112 T N 0.807 115.292 114.554 -0.116 0.000 2.838 112 T HA 0.792 5.141 4.350 -0.001 0.000 0.292 112 T C 0.582 175.037 174.700 -0.407 0.000 1.113 112 T CA -0.443 61.544 62.100 -0.189 0.000 1.008 112 T CB 1.339 70.146 68.868 -0.101 0.000 1.259 112 T HN 0.518 nan 8.240 nan 0.000 0.520 113 G N -0.946 107.417 108.800 -0.728 0.000 2.447 113 G HA2 0.095 4.054 3.960 -0.001 0.000 0.211 113 G HA3 0.095 4.054 3.960 -0.001 0.000 0.211 113 G C 0.754 174.960 174.900 -1.156 0.000 1.184 113 G CA -0.339 43.701 45.100 -1.767 0.000 0.813 113 G HN 0.815 nan 8.290 nan 0.000 0.540 114 W N 0.580 121.627 121.300 -0.421 0.000 2.942 114 W HA 0.445 5.105 4.660 -0.001 0.000 0.263 114 W C 1.303 177.753 176.519 -0.115 0.000 1.296 114 W CA 0.263 57.513 57.345 -0.158 0.000 1.504 114 W CB 0.597 30.046 29.460 -0.019 0.000 1.096 114 W HN 0.541 nan 8.180 nan 0.000 0.639 115 G N 0.096 108.937 108.800 0.069 0.000 2.541 115 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.686 115 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.686 115 G C 0.127 175.061 174.900 0.057 0.000 1.286 115 G CA -0.573 44.553 45.100 0.043 0.000 0.894 115 G HN -0.090 nan 8.290 nan 0.000 0.575 116 Q N -0.544 119.279 119.800 0.038 0.000 2.297 116 Q HA 0.081 4.420 4.340 -0.001 0.000 0.204 116 Q C 1.670 177.692 176.000 0.036 0.000 0.962 116 Q CA 2.057 57.883 55.803 0.039 0.000 0.879 116 Q CB -0.088 28.666 28.738 0.028 0.000 0.947 116 Q HN 1.124 nan 8.270 nan 0.000 0.462 117 T N -3.792 110.781 114.554 0.031 0.000 2.838 117 T HA 0.753 5.102 4.350 -0.001 0.000 0.292 117 T C 0.076 174.784 174.700 0.015 0.000 1.113 117 T CA -0.408 61.703 62.100 0.018 0.000 1.008 117 T CB 2.331 71.203 68.868 0.006 0.000 1.259 117 T HN 0.282 nan 8.240 nan 0.000 0.520 118 G N 0.989 109.785 108.800 -0.005 0.000 2.515 118 G HA2 0.153 4.112 3.960 -0.001 0.000 0.686 118 G HA3 0.153 4.112 3.960 -0.001 0.000 0.686 118 G C -2.255 172.613 174.900 -0.054 0.000 1.274 118 G CA -0.314 44.769 45.100 -0.028 0.000 0.874 118 G HN 0.678 nan 8.290 nan 0.000 0.631 119 P HA -0.100 nan 4.420 nan 0.000 0.217 119 P C 1.374 178.579 177.300 -0.159 0.000 1.148 119 P CA 1.173 64.209 63.100 -0.107 0.000 0.828 119 P CB 0.079 31.709 31.700 -0.117 0.000 0.783 120 R N -0.349 119.999 120.500 -0.254 0.000 2.362 120 R HA 0.122 4.462 4.340 -0.001 0.000 0.227 120 R C 2.204 178.391 176.300 -0.188 0.000 0.905 120 R CA 0.543 56.385 56.100 -0.429 0.000 1.067 120 R CB -0.203 29.437 30.300 -1.100 0.000 1.078 120 R HN 0.266 nan 8.270 nan 0.000 0.516 121 S N 0.463 116.154 115.700 -0.016 0.000 2.469 121 S HA -0.104 4.365 4.470 -0.001 0.000 0.238 121 S C 1.573 176.256 174.600 0.138 0.000 0.998 121 S CA 0.752 59.027 58.200 0.125 0.000 0.957 121 S CB 0.107 63.356 63.200 0.082 0.000 0.764 121 S HN 0.168 nan 8.310 nan 0.000 0.514 122 Q N 0.705 120.556 119.800 0.085 0.000 2.319 122 Q HA 0.289 4.628 4.340 -0.001 0.000 0.202 122 Q C 0.290 176.359 176.000 0.115 0.000 0.896 122 Q CA 0.126 55.982 55.803 0.088 0.000 0.942 122 Q CB 0.135 28.902 28.738 0.048 0.000 1.083 122 Q HN 0.766 nan 8.270 nan 0.000 0.510 123 Q N 0.273 120.170 119.800 0.162 0.000 2.256 123 Q HA 0.498 4.838 4.340 -0.001 0.000 0.254 123 Q C -0.787 175.396 176.000 0.305 0.000 0.916 123 Q CA -0.348 55.568 55.803 0.188 0.000 0.932 123 Q CB 1.188 29.990 28.738 0.106 0.000 1.207 123 Q HN 0.181 nan 8.270 nan 0.000 0.426 124 A N 2.577 125.514 122.820 0.195 0.000 2.425 124 A HA 0.626 4.946 4.320 -0.001 0.000 0.242 124 A C 0.252 177.935 177.584 0.165 0.000 1.077 124 A CA 0.689 52.810 52.037 0.141 0.000 0.781 124 A CB 0.342 19.389 19.000 0.078 0.000 1.020 124 A HN 0.865 nan 8.150 nan 0.000 0.494 125 G N 0.125 108.909 108.800 -0.027 0.000 2.523 125 G HA2 0.577 4.537 3.960 -0.001 0.000 0.291 125 G HA3 0.577 4.537 3.960 -0.001 0.000 0.291 125 G C -1.386 173.155 174.900 -0.599 0.000 1.450 125 G CA -0.630 44.340 45.100 -0.217 0.000 0.790 125 G HN 0.847 nan 8.290 nan 0.000 0.496 126 H N -0.840 117.880 119.070 -0.584 0.000 2.960 126 H HA 0.341 4.896 4.556 -0.001 0.000 0.338 126 H C 0.580 175.454 175.328 -0.756 0.000 1.261 126 H CA -0.279 55.507 56.048 -0.436 0.000 1.136 126 H CB 2.502 32.136 29.762 -0.213 0.000 1.875 126 H HN 0.658 nan 8.280 nan 0.000 0.550 127 D N 0.872 121.168 120.400 -0.173 0.000 2.160 127 D HA -0.193 4.446 4.640 -0.001 0.000 0.189 127 D C 1.856 178.020 176.300 -0.226 0.000 1.003 127 D CA 1.681 55.599 54.000 -0.137 0.000 0.846 127 D CB 0.079 40.827 40.800 -0.088 0.000 0.949 127 D HN 0.530 nan 8.370 nan 0.000 0.446 128 I N 0.338 120.806 120.570 -0.170 0.000 2.315 128 I HA -0.324 3.846 4.170 -0.001 0.000 0.251 128 I C 1.640 177.675 176.117 -0.137 0.000 1.125 128 I CA 1.453 62.686 61.300 -0.111 0.000 1.392 128 I CB -0.155 37.804 38.000 -0.069 0.000 1.065 128 I HN 0.085 nan 8.210 nan 0.000 0.424 129 N N -0.500 118.020 118.700 -0.301 0.000 2.171 129 N HA -0.191 4.548 4.740 -0.001 0.000 0.184 129 N C 1.583 176.969 175.510 -0.208 0.000 1.021 129 N CA 1.465 54.368 53.050 -0.245 0.000 0.854 129 N CB -0.291 38.010 38.487 -0.310 0.000 0.994 129 N HN 0.305 nan 8.380 nan 0.000 0.426 130 Y N 1.284 121.410 120.300 -0.291 0.000 2.242 130 Y HA -0.015 4.534 4.550 -0.001 0.000 0.291 130 Y C 2.088 177.952 175.900 -0.060 0.000 1.137 130 Y CA 0.347 58.200 58.100 -0.412 0.000 1.181 130 Y CB -0.878 37.252 38.460 -0.551 0.000 0.989 130 Y HN 0.175 nan 8.280 nan 0.000 0.527 131 I N -2.009 118.603 120.570 0.071 0.000 3.059 131 I HA -0.033 4.136 4.170 -0.001 0.000 0.270 131 I C 2.113 178.299 176.117 0.115 0.000 1.238 131 I CA 1.206 62.561 61.300 0.092 0.000 1.478 131 I CB -0.538 37.496 38.000 0.056 0.000 1.097 131 I HN 0.136 nan 8.210 nan 0.000 0.455 132 S N 1.129 116.896 115.700 0.113 0.000 2.436 132 S HA 0.042 4.512 4.470 -0.001 0.000 0.228 132 S C 1.933 176.638 174.600 0.175 0.000 1.014 132 S CA 0.361 58.640 58.200 0.132 0.000 0.950 132 S CB -0.471 62.794 63.200 0.107 0.000 0.784 132 S HN 0.535 nan 8.310 nan 0.000 0.504 133 L N 2.453 123.822 121.223 0.244 0.000 2.492 133 L HA 0.187 4.527 4.340 -0.001 0.000 0.223 133 L C 1.329 178.331 176.870 0.221 0.000 1.132 133 L CA 1.135 56.129 54.840 0.256 0.000 0.850 133 L CB -0.505 41.804 42.059 0.416 0.000 0.966 133 L HN 0.732 nan 8.230 nan 0.000 0.454 134 N N -2.372 116.464 118.700 0.226 0.000 2.200 134 N HA 0.103 4.843 4.740 -0.001 0.000 0.224 134 N C 1.120 176.804 175.510 0.290 0.000 1.179 134 N CA 0.594 53.797 53.050 0.256 0.000 0.877 134 N CB 1.126 39.754 38.487 0.235 0.000 1.072 134 N HN 0.078 nan 8.380 nan 0.000 0.519 135 G N 1.421 110.335 108.800 0.191 0.000 2.195 135 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.246 135 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.246 135 G C 0.710 175.662 174.900 0.087 0.000 0.984 135 G CA 0.365 45.531 45.100 0.109 0.000 0.633 135 G HN 0.326 nan 8.290 nan 0.000 0.525 136 I N -0.059 120.574 120.570 0.106 0.000 2.233 136 I HA -0.026 4.144 4.170 -0.001 0.000 0.243 136 I C 2.590 178.762 176.117 0.091 0.000 1.093 136 I CA 1.493 62.838 61.300 0.074 0.000 1.380 136 I CB -0.291 37.755 38.000 0.077 0.000 1.067 136 I HN 0.274 nan 8.210 nan 0.000 0.413 137 L N 0.395 121.679 121.223 0.102 0.000 2.083 137 L HA -0.258 4.081 4.340 -0.001 0.000 0.209 137 L C 2.636 179.562 176.870 0.094 0.000 1.083 137 L CA 1.940 56.829 54.840 0.082 0.000 0.752 137 L CB -1.042 41.059 42.059 0.071 0.000 0.899 137 L HN 0.301 nan 8.230 nan 0.000 0.433 138 H N -0.331 118.762 119.070 0.038 0.000 2.457 138 H HA -0.076 4.479 4.556 -0.001 0.000 0.297 138 H C 1.607 176.957 175.328 0.037 0.000 1.092 138 H CA 1.359 57.427 56.048 0.033 0.000 1.309 138 H CB 0.341 30.123 29.762 0.034 0.000 1.382 138 H HN 0.486 nan 8.280 nan 0.000 0.535 139 A N 0.345 123.262 122.820 0.161 0.000 2.275 139 A HA 0.245 4.565 4.320 -0.001 0.000 0.212 139 A C 0.859 178.503 177.584 0.100 0.000 1.201 139 A CA -0.246 51.889 52.037 0.163 0.000 0.843 139 A CB 0.104 19.243 19.000 0.232 0.000 0.873 139 A HN 0.220 nan 8.150 nan 0.000 0.492 140 I N 0.052 120.650 120.570 0.046 0.000 2.354 140 I HA 0.586 4.755 4.170 -0.001 0.000 0.292 140 I C 0.661 176.771 176.117 -0.012 0.000 0.989 140 I CA 0.144 61.462 61.300 0.030 0.000 1.188 140 I CB 1.549 39.569 38.000 0.033 0.000 1.342 140 I HN 0.353 nan 8.210 nan 0.000 0.457 141 G N 5.237 114.026 108.800 -0.019 0.000 2.371 141 G HA2 -0.034 3.926 3.960 -0.001 0.000 0.663 141 G HA3 -0.034 3.926 3.960 -0.001 0.000 0.663 141 G C -1.147 173.718 174.900 -0.058 0.000 1.311 141 G CA -1.123 43.950 45.100 -0.045 0.000 0.985 141 G HN 0.411 nan 8.290 nan 0.000 0.566 142 R N 0.109 120.568 120.500 -0.068 0.000 2.490 142 R HA 0.467 4.807 4.340 -0.001 0.000 0.278 142 R C 1.829 178.086 176.300 -0.071 0.000 1.069 142 R CA 0.124 56.180 56.100 -0.072 0.000 1.080 142 R CB 0.735 30.990 30.300 -0.074 0.000 1.030 142 R HN 1.126 nan 8.270 nan 0.000 0.491 143 G N 1.310 110.069 108.800 -0.069 0.000 2.479 143 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.220 143 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.220 143 G C 0.379 175.244 174.900 -0.057 0.000 1.115 143 G CA 0.928 45.989 45.100 -0.066 0.000 0.757 143 G HN 0.693 nan 8.290 nan 0.000 0.560 144 D N -0.465 119.905 120.400 -0.051 0.000 2.328 144 D HA 0.207 4.846 4.640 -0.001 0.000 0.221 144 D C 0.823 177.098 176.300 -0.041 0.000 1.072 144 D CA 0.017 53.993 54.000 -0.040 0.000 0.850 144 D CB 0.129 40.909 40.800 -0.034 0.000 0.922 144 D HN 0.659 nan 8.370 nan 0.000 0.516 145 E N -0.395 119.774 120.200 -0.052 0.000 2.454 145 E HA 0.290 4.639 4.350 -0.001 0.000 0.279 145 E C -0.707 175.856 176.600 -0.062 0.000 1.029 145 E CA -1.488 54.883 56.400 -0.049 0.000 0.831 145 E CB 0.978 30.652 29.700 -0.043 0.000 1.405 145 E HN 0.052 nan 8.360 nan 0.000 0.463 146 R N -0.130 120.339 120.500 -0.051 0.000 2.734 146 R HA 0.296 4.635 4.340 -0.001 0.000 0.266 146 R C -2.248 174.013 176.300 -0.065 0.000 1.044 146 R CA -1.193 54.873 56.100 -0.057 0.000 1.128 146 R CB -0.744 29.535 30.300 -0.034 0.000 1.010 146 R HN 0.190 nan 8.270 nan 0.000 0.461 147 P HA -0.065 nan 4.420 nan 0.000 0.268 147 P C -0.803 176.474 177.300 -0.038 0.000 1.208 147 P CA -0.294 62.766 63.100 -0.067 0.000 0.777 147 P CB 0.683 32.346 31.700 -0.062 0.000 0.875 148 V N 3.997 123.893 119.914 -0.031 0.000 2.555 148 V HA 0.493 4.612 4.120 -0.001 0.000 0.302 148 V C -2.375 173.713 176.094 -0.010 0.000 1.038 148 V CA -2.735 59.552 62.300 -0.022 0.000 0.887 148 V CB 1.828 33.634 31.823 -0.030 0.000 0.991 148 V HN 0.477 nan 8.190 nan 0.000 0.434 149 P HA 0.307 nan 4.420 nan 0.000 0.276 149 P C -2.690 174.615 177.300 0.008 0.000 1.230 149 P CA -1.730 61.370 63.100 -0.000 0.000 0.776 149 P CB 0.146 31.841 31.700 -0.008 0.000 0.888 150 P HA 0.132 nan 4.420 nan 0.000 0.220 150 P C 0.536 177.864 177.300 0.047 0.000 1.806 150 P CA -0.093 63.026 63.100 0.032 0.000 0.976 150 P CB -0.392 31.332 31.700 0.039 0.000 1.952 151 L N -0.738 120.512 121.223 0.044 0.000 6.641 151 L HA -0.326 4.014 4.340 -0.001 0.000 0.053 151 L C 1.103 177.992 176.870 0.033 0.000 1.672 151 L CA 1.640 56.513 54.840 0.056 0.000 1.732 151 L CB -1.359 40.763 42.059 0.106 0.000 2.658 151 L HN 0.370 nan 8.230 nan 0.000 1.033 152 N N 0.248 118.972 118.700 0.040 0.000 2.458 152 N HA 0.246 4.985 4.740 -0.001 0.000 0.274 152 N C 0.625 176.112 175.510 -0.038 0.000 1.242 152 N CA -0.094 52.925 53.050 -0.052 0.000 0.904 152 N CB 0.168 38.571 38.487 -0.139 0.000 1.206 152 N HN 0.631 nan 8.380 nan 0.000 0.510 153 L N -0.668 120.617 121.223 0.103 0.000 2.240 153 L HA 0.050 4.389 4.340 -0.001 0.000 0.211 153 L C 1.659 178.610 176.870 0.135 0.000 1.106 153 L CA 0.585 55.546 54.840 0.202 0.000 0.793 153 L CB 0.133 42.298 42.059 0.177 0.000 0.927 153 L HN 0.059 nan 8.230 nan 0.000 0.446 154 V N -1.055 118.897 119.914 0.064 0.000 2.672 154 V HA 0.107 4.226 4.120 -0.001 0.000 0.242 154 V C 2.284 178.403 176.094 0.041 0.000 1.059 154 V CA 1.366 63.707 62.300 0.068 0.000 1.081 154 V CB -0.165 31.693 31.823 0.058 0.000 0.752 154 V HN 0.430 nan 8.190 nan 0.000 0.472 155 G N -0.242 108.552 108.800 -0.011 0.000 2.518 155 G HA2 -0.136 3.824 3.960 -0.001 0.000 0.213 155 G HA3 -0.136 3.824 3.960 -0.001 0.000 0.213 155 G C 1.139 175.979 174.900 -0.100 0.000 1.226 155 G CA 0.795 45.883 45.100 -0.020 0.000 0.822 155 G HN 0.422 nan 8.290 nan 0.000 0.546 156 D N 0.004 120.241 120.400 -0.272 0.000 2.117 156 D HA -0.024 4.616 4.640 -0.001 0.000 0.197 156 D C 2.044 178.056 176.300 -0.481 0.000 0.987 156 D CA 0.931 54.606 54.000 -0.543 0.000 0.829 156 D CB -0.070 40.043 40.800 -1.145 0.000 0.961 156 D HN 0.313 nan 8.370 nan 0.000 0.460 157 F N -0.329 119.621 119.950 0.001 0.000 2.485 157 F HA 0.298 4.825 4.527 -0.001 0.000 0.274 157 F C 2.569 178.428 175.800 0.099 0.000 0.963 157 F CA 0.434 58.424 58.000 -0.016 0.000 1.169 157 F CB -1.147 37.730 39.000 -0.205 0.000 1.145 157 F HN -0.089 nan 8.300 nan 0.000 0.682 158 G N -0.305 108.661 108.800 0.277 0.000 2.440 158 G HA2 -0.101 3.858 3.960 -0.001 0.000 0.218 158 G HA3 -0.101 3.858 3.960 -0.001 0.000 0.218 158 G C 1.690 176.795 174.900 0.341 0.000 1.154 158 G CA 1.019 46.269 45.100 0.249 0.000 0.767 158 G HN 0.544 nan 8.290 nan 0.000 0.552 159 G N -0.629 108.332 108.800 0.269 0.000 3.502 159 G HA2 0.486 4.446 3.960 -0.001 0.000 0.267 159 G HA3 0.486 4.446 3.960 -0.001 0.000 0.267 159 G C 0.751 175.756 174.900 0.175 0.000 1.090 159 G CA 0.929 46.177 45.100 0.247 0.000 0.795 159 G HN 0.660 nan 8.290 nan 0.000 0.535 160 G N 0.666 109.604 108.800 0.230 0.000 2.542 160 G HA2 0.197 4.156 3.960 -0.001 0.000 0.208 160 G HA3 0.197 4.156 3.960 -0.001 0.000 0.208 160 G C 1.884 176.907 174.900 0.205 0.000 1.976 160 G CA 1.079 46.253 45.100 0.124 0.000 0.722 160 G HN 0.422 nan 8.290 nan 0.000 0.798 161 S N 0.493 116.342 115.700 0.249 0.000 2.387 161 S HA -0.156 4.313 4.470 -0.001 0.000 0.230 161 S C 2.378 177.119 174.600 0.236 0.000 1.035 161 S CA 1.936 60.309 58.200 0.288 0.000 1.014 161 S CB -0.364 63.152 63.200 0.527 0.000 0.836 161 S HN 0.139 nan 8.310 nan 0.000 0.466 162 M N 0.555 120.307 119.600 0.253 0.000 2.159 162 M HA 0.127 4.607 4.480 -0.001 0.000 0.263 162 M C 1.876 178.153 176.300 -0.038 0.000 1.063 162 M CA 1.097 56.451 55.300 0.090 0.000 1.110 162 M CB -1.652 30.977 32.600 0.049 0.000 1.374 162 M HN 0.338 nan 8.290 nan 0.000 0.411 163 F N -0.113 119.875 119.950 0.063 0.000 2.259 163 F HA -0.124 4.403 4.527 -0.001 0.000 0.298 163 F C 2.233 178.053 175.800 0.033 0.000 1.088 163 F CA 0.561 58.584 58.000 0.038 0.000 1.358 163 F CB -0.760 38.255 39.000 0.024 0.000 1.040 163 F HN 0.030 nan 8.300 nan 0.000 0.505 164 L N 0.083 121.422 121.223 0.194 0.000 2.012 164 L HA -0.227 4.113 4.340 -0.001 0.000 0.210 164 L C 2.146 179.060 176.870 0.073 0.000 1.073 164 L CA 1.782 56.690 54.840 0.113 0.000 0.748 164 L CB -0.737 41.376 42.059 0.090 0.000 0.891 164 L HN 0.096 nan 8.230 nan 0.000 0.431 165 L N -1.984 119.271 121.223 0.053 0.000 1.989 165 L HA -0.254 4.086 4.340 -0.001 0.000 0.211 165 L C 2.442 179.314 176.870 0.003 0.000 1.071 165 L CA 1.310 56.160 54.840 0.017 0.000 0.749 165 L CB -0.772 41.287 42.059 0.000 0.000 0.890 165 L HN 0.095 nan 8.230 nan 0.000 0.431 166 V N 0.294 120.190 119.914 -0.030 0.000 2.282 166 V HA -0.278 3.841 4.120 -0.001 0.000 0.249 166 V C 2.610 178.715 176.094 0.019 0.000 1.057 166 V CA 2.154 64.429 62.300 -0.041 0.000 1.032 166 V CB -1.327 30.417 31.823 -0.132 0.000 0.645 166 V HN 0.616 nan 8.190 nan 0.000 0.447 167 G N -0.403 108.432 108.800 0.058 0.000 2.446 167 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.217 167 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.217 167 G C 1.579 176.517 174.900 0.063 0.000 1.168 167 G CA 1.157 46.302 45.100 0.075 0.000 0.771 167 G HN 0.493 nan 8.290 nan 0.000 0.551 168 I N 0.279 120.880 120.570 0.051 0.000 2.179 168 I HA -0.128 4.041 4.170 -0.001 0.000 0.242 168 I C 2.703 178.848 176.117 0.046 0.000 1.088 168 I CA 0.826 62.151 61.300 0.043 0.000 1.357 168 I CB -0.170 37.846 38.000 0.026 0.000 1.051 168 I HN 0.120 nan 8.210 nan 0.000 0.409 169 L N 0.169 121.416 121.223 0.040 0.000 2.156 169 L HA -0.122 4.218 4.340 -0.001 0.000 0.208 169 L C 2.787 179.710 176.870 0.089 0.000 1.095 169 L CA 0.988 55.858 54.840 0.050 0.000 0.770 169 L CB -0.679 41.397 42.059 0.028 0.000 0.914 169 L HN 0.227 nan 8.230 nan 0.000 0.439 170 A N 0.224 123.090 122.820 0.076 0.000 1.933 170 A HA -0.132 4.188 4.320 -0.001 0.000 0.218 170 A C 2.517 180.204 177.584 0.173 0.000 1.175 170 A CA 1.651 53.753 52.037 0.108 0.000 0.628 170 A CB -0.553 18.483 19.000 0.061 0.000 0.814 170 A HN 0.381 nan 8.150 nan 0.000 0.444 171 A N -0.404 122.488 122.820 0.120 0.000 1.968 171 A HA 0.068 4.388 4.320 -0.001 0.000 0.217 171 A C 2.114 179.753 177.584 0.093 0.000 1.169 171 A CA 1.266 53.365 52.037 0.104 0.000 0.638 171 A CB -0.507 18.539 19.000 0.076 0.000 0.812 171 A HN 0.459 nan 8.150 nan 0.000 0.446 172 L N -1.367 119.911 121.223 0.092 0.000 2.093 172 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 172 L C 2.602 179.527 176.870 0.091 0.000 1.085 172 L CA 1.275 56.154 54.840 0.065 0.000 0.755 172 L CB -0.507 41.581 42.059 0.050 0.000 0.904 172 L HN 0.817 nan 8.230 nan 0.000 0.435 173 W N 1.565 122.859 121.300 -0.010 0.000 2.338 173 W HA -0.230 4.430 4.660 -0.001 0.000 0.304 173 W C 2.221 178.737 176.519 -0.005 0.000 1.212 173 W CA 1.811 59.151 57.345 -0.008 0.000 1.264 173 W CB -0.151 29.307 29.460 -0.004 0.000 1.142 173 W HN 0.251 nan 8.180 nan 0.000 0.512 174 E N 1.176 121.433 120.200 0.096 0.000 2.077 174 E HA -0.275 4.075 4.350 -0.001 0.000 0.193 174 E C 2.268 178.794 176.600 -0.125 0.000 0.989 174 E CA 1.427 57.819 56.400 -0.013 0.000 0.800 174 E CB -0.543 29.212 29.700 0.093 0.000 0.746 174 E HN 0.314 nan 8.360 nan 0.000 0.452 175 R N 0.252 120.704 120.500 -0.079 0.000 2.193 175 R HA -0.118 4.222 4.340 -0.001 0.000 0.229 175 R C 2.333 178.552 176.300 -0.135 0.000 1.110 175 R CA 1.299 57.350 56.100 -0.082 0.000 0.988 175 R CB 0.025 30.299 30.300 -0.044 0.000 0.871 175 R HN 0.265 nan 8.270 nan 0.000 0.458 176 Q N -0.598 119.071 119.800 -0.217 0.000 2.226 176 Q HA -0.133 4.207 4.340 -0.001 0.000 0.204 176 Q C 1.885 177.738 176.000 -0.245 0.000 0.975 176 Q CA 1.878 57.528 55.803 -0.255 0.000 0.866 176 Q CB 0.155 28.660 28.738 -0.388 0.000 0.915 176 Q HN 0.428 nan 8.270 nan 0.000 0.440 177 S N -0.812 114.735 115.700 -0.255 0.000 2.545 177 S HA -0.010 4.460 4.470 -0.001 0.000 0.232 177 S C 2.057 176.589 174.600 -0.113 0.000 1.070 177 S CA 0.327 58.418 58.200 -0.182 0.000 0.923 177 S CB -0.085 62.998 63.200 -0.195 0.000 0.806 177 S HN 0.319 nan 8.310 nan 0.000 0.506 178 S N 1.522 117.164 115.700 -0.097 0.000 2.406 178 S HA 0.292 4.762 4.470 -0.001 0.000 0.228 178 S C 1.914 176.482 174.600 -0.053 0.000 1.020 178 S CA 1.016 59.181 58.200 -0.059 0.000 0.965 178 S CB -1.171 62.005 63.200 -0.040 0.000 0.798 178 S HN 1.668 nan 8.310 nan 0.000 0.488 179 G N 0.570 109.332 108.800 -0.064 0.000 2.155 179 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.257 179 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.257 179 G C -0.067 174.811 174.900 -0.037 0.000 0.983 179 G CA 0.616 45.684 45.100 -0.052 0.000 0.676 179 G HN 0.692 nan 8.290 nan 0.000 0.528 180 K N -0.612 119.770 120.400 -0.030 0.000 2.469 180 K HA 0.616 4.936 4.320 -0.001 0.000 0.254 180 K C 0.886 177.484 176.600 -0.003 0.000 0.939 180 K CA -0.247 56.031 56.287 -0.014 0.000 0.812 180 K CB 1.770 34.264 32.500 -0.009 0.000 1.301 180 K HN 0.286 nan 8.250 nan 0.000 0.433 181 G N 0.635 109.441 108.800 0.010 0.000 2.494 181 G HA2 0.451 4.410 3.960 -0.001 0.000 0.270 181 G HA3 0.451 4.410 3.960 -0.001 0.000 0.270 181 G C -0.800 174.121 174.900 0.035 0.000 1.423 181 G CA 0.087 45.204 45.100 0.028 0.000 1.055 181 G HN 0.659 nan 8.290 nan 0.000 0.536 182 Q N -3.537 116.297 119.800 0.056 0.000 2.975 182 Q HA 0.439 4.779 4.340 -0.001 0.000 0.324 182 Q C -2.011 174.041 176.000 0.086 0.000 0.830 182 Q CA -0.918 54.917 55.803 0.053 0.000 0.818 182 Q CB 1.117 29.879 28.738 0.041 0.000 1.440 182 Q HN 0.455 nan 8.270 nan 0.000 0.475 183 V N 1.179 121.133 119.914 0.068 0.000 2.427 183 V HA 0.499 4.618 4.120 -0.001 0.000 0.286 183 V C -0.498 175.649 176.094 0.089 0.000 1.034 183 V CA -0.681 61.677 62.300 0.096 0.000 0.893 183 V CB 1.494 33.330 31.823 0.022 0.000 0.982 183 V HN 0.522 nan 8.190 nan 0.000 0.452 184 V N 3.687 123.670 119.914 0.116 0.000 2.347 184 V HA 0.332 4.452 4.120 -0.001 0.000 0.280 184 V C -0.326 175.820 176.094 0.087 0.000 1.021 184 V CA -0.420 61.934 62.300 0.091 0.000 0.847 184 V CB 1.641 33.517 31.823 0.087 0.000 0.990 184 V HN 0.968 nan 8.190 nan 0.000 0.444 185 D N 4.890 125.328 120.400 0.062 0.000 2.467 185 D HA 0.510 5.150 4.640 -0.001 0.000 0.220 185 D C 0.006 176.325 176.300 0.031 0.000 1.103 185 D CA -0.194 53.833 54.000 0.046 0.000 0.886 185 D CB 1.328 42.146 40.800 0.031 0.000 1.025 185 D HN 0.659 nan 8.370 nan 0.000 0.514 186 A N 3.174 126.011 122.820 0.028 0.000 2.280 186 A HA 0.703 5.022 4.320 -0.001 0.000 0.320 186 A C -0.176 177.380 177.584 -0.047 0.000 1.366 186 A CA -0.589 51.458 52.037 0.016 0.000 0.938 186 A CB 0.623 19.660 19.000 0.063 0.000 1.157 186 A HN 0.635 nan 8.150 nan 0.000 0.536 187 A N 3.082 125.849 122.820 -0.088 0.000 2.318 187 A HA 0.597 4.916 4.320 -0.001 0.000 0.324 187 A C 0.903 178.357 177.584 -0.217 0.000 1.170 187 A CA -0.628 51.314 52.037 -0.158 0.000 0.810 187 A CB 0.439 19.375 19.000 -0.106 0.000 1.198 187 A HN 0.867 nan 8.150 nan 0.000 0.484 188 M N 2.260 121.665 119.600 -0.325 0.000 2.202 188 M HA -0.135 4.345 4.480 -0.001 0.000 0.262 188 M C 1.910 178.076 176.300 -0.224 0.000 1.063 188 M CA 1.525 56.647 55.300 -0.297 0.000 1.097 188 M CB -0.274 32.083 32.600 -0.406 0.000 1.382 188 M HN 0.651 nan 8.290 nan 0.000 0.413 189 V N 0.564 120.348 119.914 -0.217 0.000 2.490 189 V HA -0.258 3.861 4.120 -0.001 0.000 0.250 189 V C 1.490 177.547 176.094 -0.062 0.000 1.061 189 V CA 2.121 64.400 62.300 -0.034 0.000 1.064 189 V CB -0.365 31.557 31.823 0.166 0.000 0.670 189 V HN 0.400 nan 8.190 nan 0.000 0.461 190 D N 0.300 120.621 120.400 -0.132 0.000 2.106 190 D HA -0.005 4.634 4.640 -0.001 0.000 0.203 190 D C 2.118 178.197 176.300 -0.368 0.000 0.977 190 D CA 1.570 55.456 54.000 -0.192 0.000 0.844 190 D CB -0.943 39.752 40.800 -0.174 0.000 1.002 190 D HN 0.490 nan 8.370 nan 0.000 0.461 191 G N 0.768 109.242 108.800 -0.543 0.000 2.446 191 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.217 191 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.217 191 G C 1.728 176.153 174.900 -0.792 0.000 1.168 191 G CA 1.907 46.252 45.100 -1.258 0.000 0.771 191 G HN 0.413 nan 8.290 nan 0.000 0.551 192 S N 0.508 116.025 115.700 -0.305 0.000 2.399 192 S HA -0.081 4.388 4.470 -0.001 0.000 0.231 192 S C 2.412 176.996 174.600 -0.027 0.000 1.022 192 S CA 1.798 59.947 58.200 -0.086 0.000 0.983 192 S CB -0.382 62.813 63.200 -0.008 0.000 0.803 192 S HN 0.247 nan 8.310 nan 0.000 0.480 193 S N 1.535 117.203 115.700 -0.054 0.000 2.368 193 S HA 0.003 4.472 4.470 -0.001 0.000 0.224 193 S C 1.943 176.563 174.600 0.033 0.000 1.029 193 S CA 1.210 59.441 58.200 0.051 0.000 0.988 193 S CB -0.575 62.606 63.200 -0.031 0.000 0.838 193 S HN 0.463 nan 8.310 nan 0.000 0.462 194 V N 1.842 121.699 119.914 -0.095 0.000 2.427 194 V HA -0.097 4.023 4.120 -0.001 0.000 0.248 194 V C 2.209 178.392 176.094 0.148 0.000 1.051 194 V CA 1.140 63.443 62.300 0.005 0.000 1.048 194 V CB -0.726 31.082 31.823 -0.026 0.000 0.666 194 V HN 0.315 nan 8.190 nan 0.000 0.456 195 L N -0.321 120.995 121.223 0.154 0.000 2.081 195 L HA -0.100 4.239 4.340 -0.001 0.000 0.212 195 L C 1.859 178.807 176.870 0.129 0.000 1.080 195 L CA 1.938 56.916 54.840 0.229 0.000 0.754 195 L CB -0.257 41.945 42.059 0.238 0.000 0.893 195 L HN 0.290 nan 8.230 nan 0.000 0.433 196 I N -0.757 119.881 120.570 0.115 0.000 3.858 196 I HA -0.027 4.142 4.170 -0.001 0.000 0.325 196 I C 1.732 177.926 176.117 0.128 0.000 1.403 196 I CA 0.008 61.343 61.300 0.059 0.000 1.169 196 I CB -0.202 37.809 38.000 0.019 0.000 1.077 196 I HN 0.409 nan 8.210 nan 0.000 0.403 197 Q N 1.041 120.940 119.800 0.166 0.000 2.181 197 Q HA -0.261 4.078 4.340 -0.001 0.000 0.205 197 Q C 2.001 178.070 176.000 0.114 0.000 0.980 197 Q CA 1.855 57.779 55.803 0.202 0.000 0.862 197 Q CB -0.104 28.706 28.738 0.121 0.000 0.905 197 Q HN 0.671 nan 8.270 nan 0.000 0.429 198 M N -0.536 119.069 119.600 0.009 0.000 2.108 198 M HA -0.235 4.244 4.480 -0.001 0.000 0.261 198 M C 1.768 177.972 176.300 -0.161 0.000 1.066 198 M CA 1.587 56.851 55.300 -0.061 0.000 1.107 198 M CB 0.040 32.583 32.600 -0.096 0.000 1.356 198 M HN 0.187 nan 8.290 nan 0.000 0.406 199 M N -1.006 118.396 119.600 -0.330 0.000 2.200 199 M HA -0.083 4.396 4.480 -0.001 0.000 0.265 199 M C 1.442 177.524 176.300 -0.362 0.000 1.066 199 M CA 1.896 56.818 55.300 -0.631 0.000 1.127 199 M CB -0.670 31.300 32.600 -1.050 0.000 1.379 199 M HN 0.394 nan 8.290 nan 0.000 0.420 200 W N -0.256 120.959 121.300 -0.142 0.000 2.358 200 W HA -0.080 4.580 4.660 -0.001 0.000 0.303 200 W C 2.549 179.053 176.519 -0.027 0.000 1.208 200 W CA 1.253 58.564 57.345 -0.057 0.000 1.274 200 W CB -0.697 28.738 29.460 -0.042 0.000 1.138 200 W HN 0.214 nan 8.180 nan 0.000 0.515 201 A N 0.043 122.970 122.820 0.179 0.000 1.877 201 A HA -0.237 4.083 4.320 -0.001 0.000 0.216 201 A C 1.942 179.578 177.584 0.087 0.000 1.186 201 A CA 2.029 54.133 52.037 0.111 0.000 0.620 201 A CB -0.873 18.169 19.000 0.071 0.000 0.822 201 A HN 0.266 nan 8.150 nan 0.000 0.443 202 M N -1.532 118.101 119.600 0.056 0.000 2.175 202 M HA -0.108 4.372 4.480 -0.001 0.000 0.264 202 M C 2.362 178.745 176.300 0.137 0.000 1.063 202 M CA 1.028 56.384 55.300 0.093 0.000 1.119 202 M CB -0.335 32.329 32.600 0.106 0.000 1.377 202 M HN 0.301 nan 8.290 nan 0.000 0.415 203 R N 0.305 120.882 120.500 0.130 0.000 2.117 203 R HA -0.151 4.189 4.340 -0.001 0.000 0.243 203 R C 2.064 178.435 176.300 0.120 0.000 1.143 203 R CA 1.843 58.026 56.100 0.139 0.000 0.968 203 R CB -0.559 29.795 30.300 0.089 0.000 0.863 203 R HN 0.405 nan 8.270 nan 0.000 0.444 204 A N 0.027 122.919 122.820 0.120 0.000 2.119 204 A HA -0.065 4.254 4.320 -0.001 0.000 0.216 204 A C 1.628 179.256 177.584 0.074 0.000 1.152 204 A CA 1.513 53.610 52.037 0.100 0.000 0.708 204 A CB -0.127 18.935 19.000 0.103 0.000 0.805 204 A HN 0.453 nan 8.150 nan 0.000 0.460 205 T N -5.079 109.520 114.554 0.074 0.000 3.174 205 T HA 0.450 4.799 4.350 -0.001 0.000 0.269 205 T C 1.100 175.832 174.700 0.054 0.000 1.017 205 T CA 0.825 62.959 62.100 0.057 0.000 0.899 205 T CB 0.075 68.976 68.868 0.055 0.000 1.077 205 T HN 1.547 nan 8.240 nan 0.000 0.552 206 G N 1.808 110.644 108.800 0.060 0.000 2.143 206 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.248 206 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.248 206 G C 0.478 175.409 174.900 0.053 0.000 0.991 206 G CA 0.449 45.575 45.100 0.044 0.000 0.689 206 G HN 0.568 nan 8.290 nan 0.000 0.522 207 M N -1.077 118.583 119.600 0.100 0.000 2.356 207 M HA 0.377 4.856 4.480 -0.001 0.000 0.262 207 M C 0.349 176.796 176.300 0.245 0.000 1.097 207 M CA 0.012 55.391 55.300 0.132 0.000 0.991 207 M CB 0.628 33.307 32.600 0.131 0.000 1.450 207 M HN 0.342 nan 8.290 nan 0.000 0.495 208 W N 0.747 122.032 121.300 -0.025 0.000 3.425 208 W HA 0.383 5.043 4.660 -0.001 0.000 0.318 208 W C -1.270 175.220 176.519 -0.048 0.000 1.201 208 W CA -0.580 56.739 57.345 -0.042 0.000 1.212 208 W CB 1.749 31.166 29.460 -0.071 0.000 1.355 208 W HN -0.035 nan 8.180 nan 0.000 0.515 209 T N 0.035 114.364 114.554 -0.376 0.000 2.942 209 T HA 0.278 4.627 4.350 -0.001 0.000 0.289 209 T C 0.102 174.715 174.700 -0.144 0.000 1.044 209 T CA -0.420 61.572 62.100 -0.180 0.000 1.023 209 T CB 2.021 70.782 68.868 -0.180 0.000 1.123 209 T HN 0.237 nan 8.240 nan 0.000 0.512 210 D N 0.884 121.266 120.400 -0.030 0.000 2.363 210 D HA 0.124 4.763 4.640 -0.001 0.000 0.226 210 D C 0.286 176.630 176.300 0.073 0.000 1.020 210 D CA 0.539 54.557 54.000 0.030 0.000 0.892 210 D CB -0.226 40.569 40.800 -0.009 0.000 0.900 210 D HN 0.577 nan 8.370 nan 0.000 0.531 211 T N 1.213 115.750 114.554 -0.028 0.000 2.737 211 T HA 0.108 4.457 4.350 -0.001 0.000 0.296 211 T C 0.537 175.199 174.700 -0.062 0.000 0.922 211 T CA -0.490 61.594 62.100 -0.028 0.000 1.079 211 T CB 1.041 69.868 68.868 -0.070 0.000 0.892 211 T HN 0.017 nan 8.240 nan 0.000 0.514 212 R N 2.358 122.838 120.500 -0.034 0.000 2.570 212 R HA 0.340 4.679 4.340 -0.001 0.000 0.277 212 R C 1.307 177.557 176.300 -0.083 0.000 1.039 212 R CA 1.166 57.227 56.100 -0.066 0.000 1.065 212 R CB -0.124 30.096 30.300 -0.135 0.000 0.964 212 R HN 0.942 nan 8.270 nan 0.000 0.428 213 G N 2.091 110.841 108.800 -0.084 0.000 2.153 213 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.252 213 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.252 213 G C 0.174 175.015 174.900 -0.099 0.000 0.994 213 G CA 0.276 45.324 45.100 -0.086 0.000 0.698 213 G HN 0.845 nan 8.290 nan 0.000 0.521 214 A N -0.486 122.246 122.820 -0.147 0.000 2.610 214 A HA 0.616 4.936 4.320 -0.001 0.000 0.290 214 A C 0.491 177.962 177.584 -0.189 0.000 1.001 214 A CA 0.054 52.023 52.037 -0.114 0.000 1.004 214 A CB 0.364 19.306 19.000 -0.097 0.000 1.220 214 A HN 0.315 nan 8.150 nan 0.000 0.507 215 N N -1.258 117.254 118.700 -0.313 0.000 3.038 215 N HA 0.315 5.054 4.740 -0.001 0.000 0.307 215 N C 0.714 176.069 175.510 -0.258 0.000 1.441 215 N CA -0.632 52.111 53.050 -0.513 0.000 0.772 215 N CB 1.039 38.611 38.487 -1.526 0.000 1.651 215 N HN 0.216 nan 8.380 nan 0.000 0.593 216 M N 0.234 119.736 119.600 -0.165 0.000 2.229 216 M HA 0.057 4.537 4.480 -0.001 0.000 0.264 216 M C 0.429 176.633 176.300 -0.160 0.000 1.063 216 M CA 1.796 57.078 55.300 -0.031 0.000 1.114 216 M CB 0.120 32.787 32.600 0.111 0.000 1.387 216 M HN 0.399 nan 8.290 nan 0.000 0.420 217 L N -0.513 120.695 121.223 -0.026 0.000 3.184 217 L HA 0.188 4.528 4.340 -0.001 0.000 0.283 217 L C 0.199 177.157 176.870 0.146 0.000 1.218 217 L CA -0.334 54.398 54.840 -0.180 0.000 1.028 217 L CB 0.250 42.232 42.059 -0.129 0.000 1.400 217 L HN 0.236 nan 8.230 nan 0.000 0.591 218 D N -0.970 119.515 120.400 0.142 0.000 2.440 218 D HA 0.203 4.842 4.640 -0.001 0.000 0.216 218 D C 1.328 177.650 176.300 0.036 0.000 1.150 218 D CA 0.480 54.561 54.000 0.136 0.000 0.832 218 D CB 0.826 41.711 40.800 0.141 0.000 0.992 218 D HN 0.138 nan 8.370 nan 0.000 0.502 219 G N -0.392 108.420 108.800 0.020 0.000 2.195 219 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.224 219 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.224 219 G C 1.281 176.081 174.900 -0.167 0.000 0.990 219 G CA 0.186 45.239 45.100 -0.078 0.000 0.639 219 G HN 0.621 nan 8.290 nan 0.000 0.514 220 G N 0.719 109.420 108.800 -0.166 0.000 2.432 220 G HA2 0.369 4.328 3.960 -0.001 0.000 0.219 220 G HA3 0.369 4.328 3.960 -0.001 0.000 0.219 220 G C 1.003 175.627 174.900 -0.461 0.000 1.135 220 G CA 1.635 46.628 45.100 -0.180 0.000 0.767 220 G HN 1.787 nan 8.290 nan 0.000 0.550 221 A N 0.475 122.859 122.820 -0.727 0.000 2.289 221 A HA 0.629 4.949 4.320 -0.001 0.000 0.298 221 A C -1.151 175.792 177.584 -1.068 0.000 1.208 221 A CA -1.278 49.827 52.037 -1.553 0.000 0.845 221 A CB 1.288 19.343 19.000 -1.575 0.000 1.125 221 A HN 0.050 nan 8.150 nan 0.000 0.517 222 P HA -0.144 nan 4.420 nan 0.000 0.223 222 P C 0.354 177.625 177.300 -0.047 0.000 1.144 222 P CA 1.391 64.281 63.100 -0.350 0.000 0.783 222 P CB -0.117 31.452 31.700 -0.218 0.000 0.771 223 Y N -4.771 115.496 120.300 -0.056 0.000 2.485 223 Y HA 0.394 4.943 4.550 -0.001 0.000 0.260 223 Y C 0.086 176.067 175.900 0.135 0.000 1.173 223 Y CA -1.174 57.002 58.100 0.126 0.000 1.252 223 Y CB -0.794 37.793 38.460 0.211 0.000 1.123 223 Y HN -0.140 nan 8.280 nan 0.000 0.524 224 Y N 1.711 121.884 120.300 -0.212 0.000 2.544 224 Y HA 0.524 5.074 4.550 -0.001 0.000 0.347 224 Y C -1.412 174.389 175.900 -0.165 0.000 1.089 224 Y CA -1.079 56.952 58.100 -0.115 0.000 1.230 224 Y CB 0.300 38.691 38.460 -0.116 0.000 1.101 224 Y HN 0.242 nan 8.280 nan 0.000 0.641 225 D N 0.583 120.842 120.400 -0.234 0.000 2.755 225 D HA 0.228 4.868 4.640 -0.001 0.000 0.277 225 D C -0.913 175.211 176.300 -0.292 0.000 1.261 225 D CA -0.129 53.710 54.000 -0.267 0.000 0.759 225 D CB 1.597 42.193 40.800 -0.340 0.000 1.279 225 D HN 0.262 nan 8.370 nan 0.000 0.420 226 T N -1.194 113.153 114.554 -0.345 0.000 2.918 226 T HA 0.721 5.070 4.350 -0.001 0.000 0.283 226 T C -0.549 173.881 174.700 -0.450 0.000 1.001 226 T CA -0.246 61.677 62.100 -0.296 0.000 1.041 226 T CB 0.880 69.579 68.868 -0.282 0.000 1.028 226 T HN 0.280 nan 8.240 nan 0.000 0.511 227 Y N -0.567 119.606 120.300 -0.212 0.000 2.442 227 Y HA 0.451 5.000 4.550 -0.001 0.000 0.344 227 Y C 0.296 176.224 175.900 0.046 0.000 0.976 227 Y CA -1.109 56.906 58.100 -0.143 0.000 1.040 227 Y CB 2.046 40.273 38.460 -0.389 0.000 1.228 227 Y HN 0.822 nan 8.280 nan 0.000 0.451 228 E N 2.033 122.397 120.200 0.273 0.000 2.338 228 E HA 0.381 4.730 4.350 -0.001 0.000 0.272 228 E C -0.876 175.821 176.600 0.162 0.000 1.029 228 E CA -0.206 56.309 56.400 0.192 0.000 0.872 228 E CB 0.569 30.367 29.700 0.163 0.000 1.015 228 E HN 0.679 nan 8.360 nan 0.000 0.417 229 C N 2.403 121.754 119.300 0.084 0.000 2.484 229 C HA 0.507 4.967 4.460 -0.001 0.000 0.409 229 C C 1.797 176.859 174.990 0.120 0.000 1.434 229 C CA -0.097 59.053 59.018 0.220 0.000 1.913 229 C CB 0.835 28.760 27.740 0.307 0.000 2.028 229 C HN 0.986 nan 8.230 nan 0.000 0.516 230 A N 0.971 123.881 122.820 0.149 0.000 1.972 230 A HA -0.149 4.170 4.320 -0.001 0.000 0.219 230 A C 1.484 179.073 177.584 0.009 0.000 1.169 230 A CA 2.273 54.345 52.037 0.059 0.000 0.635 230 A CB -0.540 18.475 19.000 0.025 0.000 0.810 230 A HN 0.955 nan 8.150 nan 0.000 0.446 231 D N -2.067 118.331 120.400 -0.003 0.000 2.325 231 D HA 0.278 4.917 4.640 -0.001 0.000 0.225 231 D C 1.108 177.357 176.300 -0.084 0.000 1.096 231 D CA 0.695 54.673 54.000 -0.036 0.000 0.844 231 D CB -0.683 40.101 40.800 -0.027 0.000 0.925 231 D HN 0.714 nan 8.370 nan 0.000 0.513 232 G N 0.491 109.218 108.800 -0.121 0.000 2.184 232 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.264 232 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.264 232 G C 0.410 175.012 174.900 -0.498 0.000 0.975 232 G CA 0.214 45.181 45.100 -0.220 0.000 0.642 232 G HN 0.478 nan 8.290 nan 0.000 0.536 233 R N -1.287 118.955 120.500 -0.431 0.000 2.606 233 R HA 0.720 5.060 4.340 -0.001 0.000 0.249 233 R C -0.484 175.412 176.300 -0.674 0.000 1.127 233 R CA -0.644 55.130 56.100 -0.544 0.000 1.133 233 R CB 0.640 30.831 30.300 -0.182 0.000 1.243 233 R HN 0.245 nan 8.270 nan 0.000 0.558 234 Y N -0.743 119.560 120.300 0.005 0.000 2.536 234 Y HA 0.463 5.013 4.550 -0.001 0.000 0.347 234 Y C -0.117 175.756 175.900 -0.044 0.000 1.000 234 Y CA -1.219 56.865 58.100 -0.026 0.000 1.051 234 Y CB 1.626 40.043 38.460 -0.072 0.000 1.259 234 Y HN 0.225 nan 8.280 nan 0.000 0.468 235 V N -0.717 119.223 119.914 0.044 0.000 2.769 235 V HA 0.994 5.114 4.120 -0.001 0.000 0.312 235 V C -0.301 175.696 176.094 -0.162 0.000 1.058 235 V CA -1.253 60.991 62.300 -0.093 0.000 0.952 235 V CB 1.366 33.034 31.823 -0.259 0.000 1.019 235 V HN 0.951 nan 8.190 nan 0.000 0.445 236 A N 2.896 125.612 122.820 -0.174 0.000 2.292 236 A HA 0.804 5.123 4.320 -0.001 0.000 0.319 236 A C -0.475 176.959 177.584 -0.251 0.000 1.206 236 A CA -0.599 51.310 52.037 -0.213 0.000 0.835 236 A CB 1.114 19.994 19.000 -0.199 0.000 1.164 236 A HN 1.183 nan 8.150 nan 0.000 0.505 237 V N 2.055 121.827 119.914 -0.236 0.000 2.417 237 V HA 0.664 4.784 4.120 -0.001 0.000 0.291 237 V C 0.878 176.855 176.094 -0.196 0.000 1.024 237 V CA 0.334 62.526 62.300 -0.181 0.000 0.861 237 V CB 1.693 33.481 31.823 -0.057 0.000 0.985 237 V HN 1.168 nan 8.190 nan 0.000 0.436 238 G N 2.985 111.709 108.800 -0.126 0.000 4.683 238 G HA2 0.453 4.412 3.960 -0.001 0.000 0.273 238 G HA3 0.453 4.412 3.960 -0.001 0.000 0.273 238 G C 0.312 175.344 174.900 0.220 0.000 1.065 238 G CA 0.428 45.496 45.100 -0.054 0.000 0.837 238 G HN 0.918 nan 8.290 nan 0.000 0.526 239 A N 0.862 123.839 122.820 0.263 0.000 3.004 239 A HA 0.575 4.895 4.320 -0.001 0.000 0.286 239 A C 1.276 179.041 177.584 0.303 0.000 1.632 239 A CA -0.364 51.858 52.037 0.307 0.000 1.339 239 A CB -0.425 18.728 19.000 0.255 0.000 1.136 239 A HN 0.384 nan 8.150 nan 0.000 0.577 240 I N -0.028 120.734 120.570 0.319 0.000 2.162 240 I HA -0.106 4.064 4.170 -0.001 0.000 0.238 240 I C 0.745 176.822 176.117 -0.067 0.000 1.076 240 I CA 0.634 62.024 61.300 0.149 0.000 1.353 240 I CB -0.153 38.008 38.000 0.268 0.000 1.063 240 I HN 0.464 nan 8.210 nan 0.000 0.408 241 E N 2.218 122.425 120.200 0.012 0.000 2.413 241 E HA -0.024 4.325 4.350 -0.001 0.000 0.263 241 E C -1.558 174.909 176.600 -0.221 0.000 1.015 241 E CA -1.066 55.200 56.400 -0.224 0.000 0.916 241 E CB -0.018 29.347 29.700 -0.559 0.000 0.947 241 E HN 0.107 nan 8.360 nan 0.000 0.440 242 P HA -0.276 nan 4.420 nan 0.000 0.216 242 P C 0.996 178.281 177.300 -0.025 0.000 1.150 242 P CA 1.452 64.496 63.100 -0.094 0.000 0.843 242 P CB 0.261 31.900 31.700 -0.101 0.000 0.787 243 Q N -1.002 118.697 119.800 -0.168 0.000 2.187 243 Q HA -0.100 4.239 4.340 -0.001 0.000 0.199 243 Q C 1.929 177.983 176.000 0.089 0.000 0.957 243 Q CA 1.283 57.033 55.803 -0.087 0.000 0.857 243 Q CB -1.097 27.544 28.738 -0.162 0.000 0.929 243 Q HN 0.177 nan 8.270 nan 0.000 0.453 244 F N 0.482 120.466 119.950 0.057 0.000 2.187 244 F HA -0.014 4.512 4.527 -0.001 0.000 0.295 244 F C 2.411 178.240 175.800 0.049 0.000 1.091 244 F CA -0.036 57.992 58.000 0.047 0.000 1.308 244 F CB -1.467 37.559 39.000 0.044 0.000 1.030 244 F HN 0.057 nan 8.300 nan 0.000 0.487 245 Y N 1.131 121.501 120.300 0.117 0.000 2.151 245 Y HA -0.223 4.326 4.550 -0.001 0.000 0.284 245 Y C 2.410 178.332 175.900 0.036 0.000 1.166 245 Y CA 1.601 59.718 58.100 0.029 0.000 1.163 245 Y CB -0.576 37.837 38.460 -0.078 0.000 0.974 245 Y HN -0.010 nan 8.280 nan 0.000 0.511 246 A N 0.320 123.177 122.820 0.063 0.000 1.902 246 A HA -0.096 4.224 4.320 -0.001 0.000 0.217 246 A C 2.433 180.011 177.584 -0.009 0.000 1.181 246 A CA 1.811 53.846 52.037 -0.004 0.000 0.623 246 A CB -1.501 17.534 19.000 0.059 0.000 0.818 246 A HN 0.606 nan 8.150 nan 0.000 0.443 247 A N -0.797 122.064 122.820 0.068 0.000 1.902 247 A HA -0.156 4.163 4.320 -0.001 0.000 0.217 247 A C 2.224 179.894 177.584 0.143 0.000 1.181 247 A CA 1.963 54.071 52.037 0.117 0.000 0.623 247 A CB -0.535 18.568 19.000 0.171 0.000 0.818 247 A HN 0.523 nan 8.150 nan 0.000 0.443 248 M N -0.048 119.566 119.600 0.022 0.000 2.065 248 M HA -0.125 4.355 4.480 -0.001 0.000 0.259 248 M C 2.061 178.318 176.300 -0.072 0.000 1.069 248 M CA 1.783 57.037 55.300 -0.077 0.000 1.110 248 M CB -0.794 31.665 32.600 -0.236 0.000 1.328 248 M HN 0.459 nan 8.290 nan 0.000 0.405 249 L N 0.090 121.169 121.223 -0.240 0.000 2.012 249 L HA -0.214 4.125 4.340 -0.001 0.000 0.210 249 L C 2.751 179.573 176.870 -0.080 0.000 1.073 249 L CA 1.485 56.193 54.840 -0.220 0.000 0.748 249 L CB -1.336 40.569 42.059 -0.256 0.000 0.891 249 L HN 0.370 nan 8.230 nan 0.000 0.431 250 A N 0.627 123.433 122.820 -0.023 0.000 1.883 250 A HA -0.179 4.141 4.320 -0.001 0.000 0.217 250 A C 2.423 180.016 177.584 0.015 0.000 1.186 250 A CA 1.981 54.021 52.037 0.004 0.000 0.624 250 A CB -1.388 17.623 19.000 0.019 0.000 0.822 250 A HN 0.463 nan 8.150 nan 0.000 0.444 251 G N -0.516 108.331 108.800 0.079 0.000 2.450 251 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.220 251 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.220 251 G C 1.442 176.360 174.900 0.030 0.000 1.130 251 G CA 0.995 46.046 45.100 -0.082 0.000 0.760 251 G HN 0.450 nan 8.290 nan 0.000 0.557 252 L N 0.249 121.502 121.223 0.049 0.000 2.478 252 L HA 0.181 4.521 4.340 -0.001 0.000 0.223 252 L C 2.080 178.952 176.870 0.003 0.000 1.140 252 L CA 0.486 55.271 54.840 -0.092 0.000 0.842 252 L CB -0.188 41.634 42.059 -0.395 0.000 0.953 252 L HN 0.401 nan 8.230 nan 0.000 0.452 253 G N 0.771 109.575 108.800 0.006 0.000 2.160 253 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.244 253 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.244 253 G C 0.046 174.937 174.900 -0.015 0.000 1.022 253 G CA -0.112 44.994 45.100 0.010 0.000 0.741 253 G HN 0.244 nan 8.290 nan 0.000 0.508 254 L N 0.383 121.577 121.223 -0.048 0.000 2.307 254 L HA 0.474 4.813 4.340 -0.001 0.000 0.282 254 L C 0.161 177.012 176.870 -0.033 0.000 1.051 254 L CA -1.020 53.790 54.840 -0.050 0.000 0.804 254 L CB 1.306 43.312 42.059 -0.089 0.000 1.197 254 L HN 0.112 nan 8.230 nan 0.000 0.431 255 D N 1.947 122.338 120.400 -0.015 0.000 2.336 255 D HA 0.226 4.865 4.640 -0.001 0.000 0.249 255 D C 0.841 177.145 176.300 0.006 0.000 1.213 255 D CA -0.056 53.942 54.000 -0.003 0.000 0.870 255 D CB 1.916 42.718 40.800 0.004 0.000 1.076 255 D HN 0.611 nan 8.370 nan 0.000 0.483 256 A N 4.375 127.200 122.820 0.009 0.000 1.927 256 A HA -0.202 4.117 4.320 -0.001 0.000 0.220 256 A C 2.072 179.685 177.584 0.050 0.000 1.185 256 A CA 2.162 54.221 52.037 0.036 0.000 0.639 256 A CB -0.718 18.309 19.000 0.045 0.000 0.820 256 A HN 0.685 nan 8.150 nan 0.000 0.451 257 A N -1.087 121.755 122.820 0.036 0.000 2.172 257 A HA -0.054 4.266 4.320 -0.001 0.000 0.216 257 A C 1.716 179.321 177.584 0.034 0.000 1.154 257 A CA 1.402 53.459 52.037 0.035 0.000 0.701 257 A CB -0.241 18.774 19.000 0.025 0.000 0.789 257 A HN 0.511 nan 8.150 nan 0.000 0.465 258 E N -0.618 119.602 120.200 0.033 0.000 2.472 258 E HA 0.199 4.548 4.350 -0.001 0.000 0.196 258 E C 0.239 176.865 176.600 0.043 0.000 1.033 258 E CA 0.070 56.489 56.400 0.031 0.000 0.886 258 E CB 0.106 29.819 29.700 0.022 0.000 0.944 258 E HN 0.579 nan 8.360 nan 0.000 0.492 259 L N 1.912 123.170 121.223 0.059 0.000 2.365 259 L HA 0.388 4.727 4.340 -0.001 0.000 0.267 259 L C -2.057 174.873 176.870 0.100 0.000 1.033 259 L CA -2.125 52.766 54.840 0.084 0.000 0.802 259 L CB 0.386 42.510 42.059 0.108 0.000 1.267 259 L HN -0.183 nan 8.230 nan 0.000 0.457 260 P HA 0.255 nan 4.420 nan 0.000 0.274 260 P C -2.618 174.766 177.300 0.141 0.000 1.237 260 P CA -1.455 61.717 63.100 0.119 0.000 0.793 260 P CB -0.498 31.284 31.700 0.137 0.000 0.977 261 P HA 0.014 nan 4.420 nan 0.000 0.267 261 P C 1.161 178.523 177.300 0.103 0.000 1.200 261 P CA 0.077 63.228 63.100 0.084 0.000 0.772 261 P CB 0.292 32.016 31.700 0.039 0.000 0.855 262 Q N 2.434 122.224 119.800 -0.016 0.000 2.112 262 Q HA -0.244 4.096 4.340 -0.001 0.000 0.206 262 Q C 0.266 176.384 176.000 0.197 0.000 0.987 262 Q CA 1.889 57.556 55.803 -0.226 0.000 0.858 262 Q CB -0.189 27.999 28.738 -0.916 0.000 0.905 262 Q HN 0.494 nan 8.270 nan 0.000 0.420 263 N N 0.657 119.433 118.700 0.126 0.000 2.328 263 N HA 0.041 4.780 4.740 -0.001 0.000 0.247 263 N C -1.354 174.133 175.510 -0.038 0.000 1.165 263 N CA -0.225 52.939 53.050 0.189 0.000 0.873 263 N CB 0.648 39.190 38.487 0.093 0.000 1.125 263 N HN 0.078 nan 8.380 nan 0.000 0.513 264 D N 1.012 121.391 120.400 -0.035 0.000 2.453 264 D HA 0.127 4.766 4.640 -0.001 0.000 0.223 264 D C 0.949 177.009 176.300 -0.400 0.000 1.183 264 D CA -0.099 53.809 54.000 -0.154 0.000 0.933 264 D CB 0.406 41.181 40.800 -0.042 0.000 1.038 264 D HN 0.136 nan 8.370 nan 0.000 0.513 265 R N 2.283 122.334 120.500 -0.749 0.000 2.193 265 R HA -0.090 4.249 4.340 -0.001 0.000 0.229 265 R C 1.905 177.892 176.300 -0.522 0.000 1.110 265 R CA 1.067 56.411 56.100 -1.259 0.000 0.988 265 R CB 0.025 29.575 30.300 -1.251 0.000 0.871 265 R HN 0.394 nan 8.270 nan 0.000 0.458 266 A N 1.256 123.901 122.820 -0.293 0.000 1.972 266 A HA -0.148 4.171 4.320 -0.001 0.000 0.219 266 A C 1.727 179.290 177.584 -0.035 0.000 1.169 266 A CA 1.180 53.139 52.037 -0.130 0.000 0.635 266 A CB -0.135 18.806 19.000 -0.099 0.000 0.810 266 A HN 0.229 nan 8.150 nan 0.000 0.446 267 R N -2.355 118.145 120.500 -0.000 0.000 2.468 267 R HA 0.059 4.398 4.340 -0.001 0.000 0.280 267 R C 0.928 177.370 176.300 0.237 0.000 0.963 267 R CA -0.394 55.765 56.100 0.098 0.000 1.083 267 R CB 0.023 30.376 30.300 0.088 0.000 1.200 267 R HN 0.597 nan 8.270 nan 0.000 0.541 268 W N 1.815 123.129 121.300 0.024 0.000 2.342 268 W HA -0.019 4.641 4.660 -0.001 0.000 0.297 268 W C -0.982 175.559 176.519 0.038 0.000 1.213 268 W CA 0.752 58.117 57.345 0.032 0.000 1.251 268 W CB -1.541 27.919 29.460 -0.000 0.000 1.136 268 W HN 0.061 nan 8.180 nan 0.000 0.526 269 P HA -0.225 nan 4.420 nan 0.000 0.215 269 P C 1.486 178.860 177.300 0.124 0.000 1.153 269 P CA 2.520 65.705 63.100 0.142 0.000 0.853 269 P CB -0.178 31.584 31.700 0.103 0.000 0.788 270 E N -0.569 119.708 120.200 0.128 0.000 2.077 270 E HA -0.202 4.148 4.350 -0.001 0.000 0.193 270 E C 1.883 178.559 176.600 0.127 0.000 0.989 270 E CA 0.880 57.346 56.400 0.110 0.000 0.800 270 E CB -0.611 29.148 29.700 0.098 0.000 0.746 270 E HN -0.017 nan 8.360 nan 0.000 0.452 271 L N 1.670 122.996 121.223 0.171 0.000 2.017 271 L HA -0.158 4.181 4.340 -0.001 0.000 0.208 271 L C 2.587 179.550 176.870 0.155 0.000 1.073 271 L CA 1.996 56.944 54.840 0.180 0.000 0.745 271 L CB -0.674 41.537 42.059 0.253 0.000 0.894 271 L HN 0.068 nan 8.230 nan 0.000 0.432 272 R N -0.763 119.827 120.500 0.149 0.000 2.091 272 R HA -0.167 4.172 4.340 -0.001 0.000 0.238 272 R C 2.161 178.577 176.300 0.194 0.000 1.136 272 R CA 1.433 57.641 56.100 0.181 0.000 0.959 272 R CB -0.392 29.965 30.300 0.096 0.000 0.856 272 R HN 0.528 nan 8.270 nan 0.000 0.437 273 A N 0.808 123.707 122.820 0.132 0.000 1.902 273 A HA -0.142 4.177 4.320 -0.001 0.000 0.217 273 A C 2.153 179.794 177.584 0.093 0.000 1.181 273 A CA 1.226 53.328 52.037 0.109 0.000 0.623 273 A CB -0.478 18.571 19.000 0.080 0.000 0.818 273 A HN 0.334 nan 8.150 nan 0.000 0.443 274 L N -0.673 120.596 121.223 0.077 0.000 2.056 274 L HA -0.146 4.194 4.340 -0.001 0.000 0.207 274 L C 2.519 179.381 176.870 -0.013 0.000 1.078 274 L CA 0.967 55.827 54.840 0.033 0.000 0.749 274 L CB -0.460 41.617 42.059 0.030 0.000 0.901 274 L HN 0.370 nan 8.230 nan 0.000 0.433 275 L N -1.144 120.075 121.223 -0.008 0.000 2.056 275 L HA -0.175 4.164 4.340 -0.001 0.000 0.207 275 L C 2.608 179.434 176.870 -0.074 0.000 1.078 275 L CA 1.331 56.075 54.840 -0.160 0.000 0.749 275 L CB -1.060 40.871 42.059 -0.213 0.000 0.901 275 L HN 0.246 nan 8.230 nan 0.000 0.433 276 T N -0.703 113.977 114.554 0.209 0.000 2.684 276 T HA -0.278 4.072 4.350 -0.001 0.000 0.267 276 T C 1.781 176.586 174.700 0.175 0.000 1.036 276 T CA 1.809 64.110 62.100 0.334 0.000 1.148 276 T CB -0.214 68.825 68.868 0.285 0.000 0.863 276 T HN 0.408 nan 8.240 nan 0.000 0.436 277 E N 0.907 121.162 120.200 0.092 0.000 2.085 277 E HA -0.178 4.172 4.350 -0.001 0.000 0.194 277 E C 2.393 179.008 176.600 0.025 0.000 0.994 277 E CA 1.152 57.585 56.400 0.055 0.000 0.801 277 E CB -0.232 29.487 29.700 0.032 0.000 0.743 277 E HN 0.479 nan 8.360 nan 0.000 0.453 278 A N 0.513 123.290 122.820 -0.071 0.000 1.845 278 A HA -0.163 4.156 4.320 -0.001 0.000 0.215 278 A C 1.933 179.441 177.584 -0.125 0.000 1.195 278 A CA 1.472 53.408 52.037 -0.168 0.000 0.616 278 A CB -1.020 17.728 19.000 -0.420 0.000 0.832 278 A HN 0.362 nan 8.150 nan 0.000 0.443 279 F N 0.223 120.070 119.950 -0.172 0.000 2.216 279 F HA -0.062 4.464 4.527 -0.001 0.000 0.300 279 F C 2.690 178.634 175.800 0.240 0.000 1.085 279 F CA 0.790 58.684 58.000 -0.176 0.000 1.326 279 F CB -0.478 38.329 39.000 -0.322 0.000 1.027 279 F HN 0.253 nan 8.300 nan 0.000 0.497 280 A N -0.505 122.509 122.820 0.323 0.000 2.119 280 A HA -0.106 4.213 4.320 -0.001 0.000 0.217 280 A C 2.241 179.930 177.584 0.174 0.000 1.153 280 A CA 1.389 53.568 52.037 0.237 0.000 0.692 280 A CB -0.963 18.127 19.000 0.150 0.000 0.799 280 A HN 0.374 nan 8.150 nan 0.000 0.458 281 S N -1.045 114.760 115.700 0.176 0.000 2.489 281 S HA 0.025 4.495 4.470 -0.001 0.000 0.228 281 S C 0.752 175.115 174.600 -0.395 0.000 0.995 281 S CA 0.247 58.398 58.200 -0.082 0.000 0.934 281 S CB -0.274 62.868 63.200 -0.097 0.000 0.771 281 S HN 0.646 nan 8.310 nan 0.000 0.522 282 H N 0.082 119.258 119.070 0.176 0.000 2.949 282 H HA 0.462 5.018 4.556 -0.001 0.000 0.356 282 H C -1.171 174.154 175.328 -0.005 0.000 1.212 282 H CA -0.902 55.034 56.048 -0.187 0.000 1.136 282 H CB 0.877 30.076 29.762 -0.939 0.000 1.869 282 H HN 0.139 nan 8.280 nan 0.000 0.556 283 D N 0.577 120.987 120.400 0.018 0.000 2.368 283 D HA 0.009 4.649 4.640 -0.001 0.000 0.240 283 D C 1.521 177.916 176.300 0.158 0.000 1.169 283 D CA -0.123 53.920 54.000 0.072 0.000 0.906 283 D CB 1.325 42.136 40.800 0.018 0.000 1.187 283 D HN 0.464 nan 8.370 nan 0.000 0.435 284 R N 0.910 121.525 120.500 0.192 0.000 2.083 284 R HA -0.188 4.151 4.340 -0.001 0.000 0.237 284 R C 0.673 177.084 176.300 0.185 0.000 1.137 284 R CA 1.601 57.852 56.100 0.251 0.000 0.951 284 R CB -0.007 30.366 30.300 0.123 0.000 0.851 284 R HN 0.355 nan 8.270 nan 0.000 0.434 285 D N -0.542 119.908 120.400 0.083 0.000 2.178 285 D HA -0.180 4.459 4.640 -0.001 0.000 0.201 285 D C 1.740 178.036 176.300 -0.006 0.000 0.980 285 D CA 0.944 54.967 54.000 0.038 0.000 0.842 285 D CB -0.470 40.334 40.800 0.006 0.000 0.948 285 D HN 0.411 nan 8.370 nan 0.000 0.472 286 H N -0.614 118.356 119.070 -0.167 0.000 2.289 286 H HA -0.170 4.386 4.556 -0.001 0.000 0.296 286 H C 1.837 176.969 175.328 -0.328 0.000 1.091 286 H CA 1.763 57.590 56.048 -0.369 0.000 1.274 286 H CB -0.428 28.953 29.762 -0.635 0.000 1.364 286 H HN 0.296 nan 8.280 nan 0.000 0.490 287 W N 0.556 121.932 121.300 0.127 0.000 2.363 287 W HA -0.076 4.584 4.660 -0.001 0.000 0.296 287 W C 2.957 179.578 176.519 0.171 0.000 1.212 287 W CA 0.579 58.047 57.345 0.204 0.000 1.260 287 W CB -0.556 29.183 29.460 0.465 0.000 1.131 287 W HN 0.294 nan 8.180 nan 0.000 0.530 288 G N 0.279 109.247 108.800 0.281 0.000 2.432 288 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.219 288 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.219 288 G C 1.620 176.554 174.900 0.057 0.000 1.135 288 G CA 1.184 46.385 45.100 0.169 0.000 0.767 288 G HN 0.313 nan 8.290 nan 0.000 0.550 289 A N 0.153 122.934 122.820 -0.065 0.000 1.897 289 A HA 0.160 4.479 4.320 -0.001 0.000 0.215 289 A C 2.565 180.023 177.584 -0.211 0.000 1.181 289 A CA 1.547 53.492 52.037 -0.152 0.000 0.620 289 A CB -0.566 18.293 19.000 -0.235 0.000 0.821 289 A HN 0.215 nan 8.150 nan 0.000 0.443 290 V N -1.484 118.225 119.914 -0.341 0.000 2.392 290 V HA -0.206 3.913 4.120 -0.001 0.000 0.249 290 V C 1.614 177.445 176.094 -0.438 0.000 1.059 290 V CA 1.707 63.718 62.300 -0.483 0.000 1.051 290 V CB -0.763 30.671 31.823 -0.649 0.000 0.658 290 V HN 0.591 nan 8.190 nan 0.000 0.455 291 F N -0.760 119.210 119.950 0.034 0.000 2.684 291 F HA 0.492 5.018 4.527 -0.001 0.000 0.298 291 F C 1.789 177.586 175.800 -0.006 0.000 1.120 291 F CA 0.311 58.330 58.000 0.031 0.000 1.332 291 F CB -0.193 38.852 39.000 0.074 0.000 0.986 291 F HN 0.016 nan 8.300 nan 0.000 0.524 292 A N 0.777 123.650 122.820 0.088 0.000 1.883 292 A HA -0.244 4.076 4.320 -0.001 0.000 0.217 292 A C 1.668 179.267 177.584 0.025 0.000 1.186 292 A CA 2.125 54.187 52.037 0.041 0.000 0.624 292 A CB -0.555 18.441 19.000 -0.007 0.000 0.822 292 A HN 0.464 nan 8.150 nan 0.000 0.444 293 N N -0.925 117.787 118.700 0.020 0.000 2.203 293 N HA 0.131 4.870 4.740 -0.001 0.000 0.207 293 N C 0.106 175.626 175.510 0.018 0.000 1.130 293 N CA 0.419 53.473 53.050 0.007 0.000 0.861 293 N CB 0.517 39.004 38.487 -0.001 0.000 1.005 293 N HN 0.520 nan 8.380 nan 0.000 0.507 294 S N -0.876 114.861 115.700 0.061 0.000 2.693 294 S HA 0.267 4.737 4.470 -0.001 0.000 0.276 294 S C 0.237 174.845 174.600 0.014 0.000 1.192 294 S CA -0.599 57.649 58.200 0.079 0.000 0.994 294 S CB 1.302 64.618 63.200 0.194 0.000 1.012 294 S HN -0.067 nan 8.310 nan 0.000 0.550 295 D N 0.542 120.940 120.400 -0.003 0.000 2.370 295 D HA 0.359 4.998 4.640 -0.001 0.000 0.230 295 D C 1.433 177.640 176.300 -0.155 0.000 1.143 295 D CA 0.200 54.099 54.000 -0.169 0.000 0.834 295 D CB -0.148 40.570 40.800 -0.137 0.000 0.944 295 D HN 0.654 nan 8.370 nan 0.000 0.504 296 A N -0.554 122.252 122.820 -0.023 0.000 2.209 296 A HA -0.048 4.272 4.320 -0.001 0.000 0.212 296 A C 1.476 178.953 177.584 -0.179 0.000 1.158 296 A CA 0.109 52.111 52.037 -0.059 0.000 0.742 296 A CB -0.544 18.404 19.000 -0.088 0.000 0.790 296 A HN 0.411 nan 8.150 nan 0.000 0.472 297 C N -1.387 117.788 119.300 -0.209 0.000 4.365 297 C HA -0.107 4.352 4.460 -0.001 0.000 0.299 297 C C 0.381 175.239 174.990 -0.219 0.000 1.409 297 C CA 0.203 59.106 59.018 -0.191 0.000 2.007 297 C CB -3.270 24.409 27.740 -0.103 0.000 1.264 297 C HN 0.406 nan 8.230 nan 0.000 0.777 298 V N 1.190 120.925 119.914 -0.298 0.000 2.384 298 V HA 0.754 4.874 4.120 -0.001 0.000 0.287 298 V C 0.442 176.446 176.094 -0.150 0.000 1.020 298 V CA 0.437 62.528 62.300 -0.349 0.000 0.850 298 V CB 2.177 33.514 31.823 -0.810 0.000 0.987 298 V HN 0.595 nan 8.190 nan 0.000 0.436 299 T N 3.491 117.975 114.554 -0.117 0.000 2.909 299 T HA 0.639 4.989 4.350 -0.001 0.000 0.299 299 T C -3.129 171.557 174.700 -0.023 0.000 1.073 299 T CA -2.279 59.793 62.100 -0.046 0.000 0.999 299 T CB 2.468 71.295 68.868 -0.068 0.000 1.098 299 T HN 0.411 nan 8.240 nan 0.000 0.477 300 P HA 0.239 nan 4.420 nan 0.000 0.271 300 P C -0.408 176.892 177.300 0.001 0.000 1.216 300 P CA -0.362 62.758 63.100 0.033 0.000 0.771 300 P CB 0.695 32.421 31.700 0.042 0.000 0.864 301 V N 5.478 125.401 119.914 0.015 0.000 2.356 301 V HA 0.097 4.217 4.120 -0.001 0.000 0.258 301 V C 0.811 176.900 176.094 -0.007 0.000 1.065 301 V CA -0.139 62.159 62.300 -0.003 0.000 0.935 301 V CB -0.259 31.578 31.823 0.024 0.000 1.061 301 V HN 0.380 nan 8.190 nan 0.000 0.484 302 L N 4.514 125.708 121.223 -0.047 0.000 2.312 302 L HA 0.649 4.988 4.340 -0.001 0.000 0.281 302 L C 0.807 177.602 176.870 -0.126 0.000 1.070 302 L CA -0.228 54.573 54.840 -0.064 0.000 0.805 302 L CB 1.280 43.302 42.059 -0.062 0.000 1.174 302 L HN 0.661 nan 8.230 nan 0.000 0.434 303 A N 2.510 125.261 122.820 -0.114 0.000 2.313 303 A HA 0.351 4.670 4.320 -0.001 0.000 0.261 303 A C 0.838 178.331 177.584 -0.152 0.000 1.090 303 A CA -0.201 51.725 52.037 -0.186 0.000 0.807 303 A CB 0.138 19.092 19.000 -0.077 0.000 1.055 303 A HN 0.711 nan 8.150 nan 0.000 0.492 304 F N 1.069 121.002 119.950 -0.029 0.000 2.120 304 F HA -0.204 4.323 4.527 -0.001 0.000 0.300 304 F C 2.562 178.310 175.800 -0.086 0.000 1.095 304 F CA 1.739 59.698 58.000 -0.069 0.000 1.249 304 F CB -0.427 38.544 39.000 -0.048 0.000 0.995 304 F HN 0.679 nan 8.300 nan 0.000 0.480 305 G N -0.463 108.431 108.800 0.156 0.000 2.470 305 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.220 305 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.220 305 G C 1.305 176.287 174.900 0.137 0.000 1.121 305 G CA 0.858 46.028 45.100 0.117 0.000 0.766 305 G HN 0.430 nan 8.290 nan 0.000 0.553 306 E N -0.192 120.026 120.200 0.031 0.000 2.415 306 E HA 0.096 4.446 4.350 -0.001 0.000 0.197 306 E C 2.423 178.912 176.600 -0.185 0.000 1.007 306 E CA -0.130 56.225 56.400 -0.074 0.000 0.890 306 E CB 0.251 29.907 29.700 -0.074 0.000 0.891 306 E HN 0.249 nan 8.360 nan 0.000 0.496 307 V N 3.226 123.051 119.914 -0.149 0.000 2.317 307 V HA -0.317 3.802 4.120 -0.001 0.000 0.251 307 V C 2.577 178.464 176.094 -0.347 0.000 1.065 307 V CA 2.326 64.499 62.300 -0.212 0.000 1.049 307 V CB -1.021 30.661 31.823 -0.235 0.000 0.651 307 V HN 0.542 nan 8.190 nan 0.000 0.450 308 H N 0.028 118.746 119.070 -0.585 0.000 2.518 308 H HA -0.063 4.492 4.556 -0.001 0.000 0.289 308 H C 1.414 176.469 175.328 -0.455 0.000 1.051 308 H CA 1.483 57.023 56.048 -0.848 0.000 1.280 308 H CB -0.374 28.503 29.762 -1.476 0.000 1.380 308 H HN 0.467 nan 8.280 nan 0.000 0.566 309 N N 0.774 118.995 118.700 -0.799 0.000 2.299 309 N HA -0.031 4.708 4.740 -0.001 0.000 0.187 309 N C 0.103 175.461 175.510 -0.253 0.000 1.099 309 N CA 0.090 52.832 53.050 -0.513 0.000 0.867 309 N CB 0.517 38.701 38.487 -0.505 0.000 0.974 309 N HN 0.402 nan 8.380 nan 0.000 0.477 310 E N 2.152 122.229 120.200 -0.205 0.000 2.324 310 E HA 0.120 4.469 4.350 -0.001 0.000 0.271 310 E C -1.672 174.902 176.600 -0.044 0.000 1.028 310 E CA -1.775 54.570 56.400 -0.091 0.000 0.890 310 E CB 1.258 30.927 29.700 -0.051 0.000 1.004 310 E HN -0.008 nan 8.360 nan 0.000 0.431 311 P HA -0.157 nan 4.420 nan 0.000 0.215 311 P C 0.716 178.044 177.300 0.048 0.000 1.153 311 P CA 1.335 64.443 63.100 0.013 0.000 0.853 311 P CB 0.034 31.747 31.700 0.021 0.000 0.788 312 H N -0.652 118.413 119.070 -0.008 0.000 2.423 312 H HA -0.065 4.491 4.556 -0.001 0.000 0.297 312 H C 1.824 177.164 175.328 0.019 0.000 1.075 312 H CA 1.210 57.261 56.048 0.004 0.000 1.342 312 H CB -0.583 29.180 29.762 0.001 0.000 1.395 312 H HN -0.095 nan 8.280 nan 0.000 0.530 313 I N 0.264 120.864 120.570 0.050 0.000 2.202 313 I HA -0.229 3.941 4.170 -0.001 0.000 0.242 313 I C 2.313 178.441 176.117 0.018 0.000 1.091 313 I CA 1.174 62.503 61.300 0.048 0.000 1.368 313 I CB -0.918 37.141 38.000 0.098 0.000 1.058 313 I HN 0.366 nan 8.210 nan 0.000 0.410 314 I N 0.430 120.996 120.570 -0.008 0.000 2.142 314 I HA -0.267 3.903 4.170 -0.001 0.000 0.240 314 I C 2.548 178.673 176.117 0.014 0.000 1.078 314 I CA 1.301 62.608 61.300 0.012 0.000 1.343 314 I CB -0.444 37.554 38.000 -0.003 0.000 1.046 314 I HN 0.230 nan 8.210 nan 0.000 0.405 315 E N 0.745 120.927 120.200 -0.030 0.000 2.118 315 E HA -0.194 4.155 4.350 -0.001 0.000 0.195 315 E C 2.054 178.618 176.600 -0.061 0.000 0.992 315 E CA 1.045 57.422 56.400 -0.039 0.000 0.804 315 E CB 0.046 29.714 29.700 -0.054 0.000 0.741 315 E HN 0.429 nan 8.360 nan 0.000 0.458 316 R N 0.351 120.778 120.500 -0.122 0.000 2.317 316 R HA 0.090 4.429 4.340 -0.001 0.000 0.208 316 R C 0.021 176.294 176.300 -0.045 0.000 0.914 316 R CA -0.081 55.944 56.100 -0.126 0.000 1.060 316 R CB 0.135 30.279 30.300 -0.261 0.000 1.015 316 R HN 0.124 nan 8.270 nan 0.000 0.498 317 N N 1.206 119.917 118.700 0.019 0.000 2.705 317 N HA -0.173 4.566 4.740 -0.001 0.000 0.255 317 N C 0.156 175.706 175.510 0.066 0.000 1.008 317 N CA 0.967 54.073 53.050 0.095 0.000 0.742 317 N CB -0.705 37.838 38.487 0.093 0.000 0.906 317 N HN 0.236 nan 8.380 nan 0.000 0.541 318 T N -1.000 113.566 114.554 0.021 0.000 2.867 318 T HA -0.035 4.315 4.350 -0.001 0.000 0.268 318 T C 0.602 175.093 174.700 -0.347 0.000 1.057 318 T CA 1.114 63.117 62.100 -0.163 0.000 1.136 318 T CB 0.028 68.788 68.868 -0.180 0.000 0.874 318 T HN 0.291 nan 8.240 nan 0.000 0.466 319 F N 0.536 120.611 119.950 0.208 0.000 2.522 319 F HA 0.535 5.061 4.527 -0.001 0.000 0.324 319 F C -0.299 175.808 175.800 0.510 0.000 1.077 319 F CA -1.967 56.240 58.000 0.345 0.000 0.944 319 F CB 1.259 40.484 39.000 0.375 0.000 1.175 319 F HN 0.090 nan 8.300 nan 0.000 0.468 320 Y N -1.315 119.255 120.300 0.451 0.000 2.509 320 Y HA 0.622 5.171 4.550 -0.001 0.000 0.341 320 Y C -0.611 175.274 175.900 -0.025 0.000 1.038 320 Y CA -1.351 56.880 58.100 0.217 0.000 1.089 320 Y CB 0.892 39.399 38.460 0.079 0.000 1.241 320 Y HN 0.544 nan 8.280 nan 0.000 0.468 321 E N 1.879 121.799 120.200 -0.467 0.000 2.180 321 E HA 0.501 4.851 4.350 -0.001 0.000 0.283 321 E C -1.059 175.307 176.600 -0.390 0.000 1.061 321 E CA -0.495 55.419 56.400 -0.810 0.000 0.861 321 E CB 0.788 29.907 29.700 -0.968 0.000 1.056 321 E HN 0.736 nan 8.360 nan 0.000 0.407 322 A N 4.486 127.039 122.820 -0.445 0.000 2.323 322 A HA 0.323 4.642 4.320 -0.001 0.000 0.305 322 A C -0.700 176.772 177.584 -0.187 0.000 1.275 322 A CA -1.025 50.889 52.037 -0.205 0.000 0.804 322 A CB 0.243 19.124 19.000 -0.198 0.000 1.152 322 A HN 0.792 nan 8.150 nan 0.000 0.487 323 N N 1.706 120.328 118.700 -0.131 0.000 2.665 323 N HA -0.133 4.607 4.740 -0.001 0.000 0.306 323 N C 1.013 176.454 175.510 -0.116 0.000 1.244 323 N CA 2.143 55.131 53.050 -0.103 0.000 0.715 323 N CB -0.731 37.722 38.487 -0.056 0.000 1.011 323 N HN 2.003 nan 8.380 nan 0.000 0.547 324 G N -0.731 107.991 108.800 -0.131 0.000 2.160 324 G HA2 0.251 4.211 3.960 -0.001 0.000 0.251 324 G HA3 0.251 4.211 3.960 -0.001 0.000 0.251 324 G C 0.468 175.290 174.900 -0.129 0.000 1.008 324 G CA 0.448 45.481 45.100 -0.112 0.000 0.724 324 G HN 1.710 nan 8.290 nan 0.000 0.514 325 G N -2.634 106.041 108.800 -0.208 0.000 2.358 325 G HA2 0.427 4.387 3.960 -0.001 0.000 0.303 325 G HA3 0.427 4.387 3.960 -0.001 0.000 0.303 325 G C -0.593 174.124 174.900 -0.304 0.000 1.537 325 G CA -0.338 44.648 45.100 -0.191 0.000 0.928 325 G HN 0.785 nan 8.290 nan 0.000 0.656 326 W N 0.803 121.980 121.300 -0.205 0.000 2.218 326 W HA 0.613 5.273 4.660 -0.001 0.000 0.326 326 W C 0.467 176.888 176.519 -0.164 0.000 1.276 326 W CA 0.031 57.255 57.345 -0.200 0.000 1.210 326 W CB 0.974 30.288 29.460 -0.243 0.000 1.143 326 W HN 0.353 nan 8.180 nan 0.000 0.563 327 Q N 3.660 123.449 119.800 -0.018 0.000 2.397 327 Q HA 0.358 4.697 4.340 -0.001 0.000 0.275 327 Q C -2.482 173.628 176.000 0.184 0.000 1.090 327 Q CA -2.378 53.405 55.803 -0.032 0.000 0.809 327 Q CB 1.792 30.296 28.738 -0.391 0.000 1.362 327 Q HN 0.138 nan 8.270 nan 0.000 0.431 328 P HA 0.096 nan 4.420 nan 0.000 0.271 328 P C -0.141 177.223 177.300 0.108 0.000 1.220 328 P CA -0.154 62.863 63.100 -0.138 0.000 0.768 328 P CB 0.576 32.181 31.700 -0.157 0.000 0.848 329 M N 4.285 123.922 119.600 0.063 0.000 2.207 329 M HA 0.195 4.674 4.480 -0.001 0.000 0.311 329 M C -1.866 174.441 176.300 0.011 0.000 1.127 329 M CA -1.570 53.796 55.300 0.110 0.000 1.181 329 M CB -1.029 31.607 32.600 0.060 0.000 1.409 329 M HN 0.183 nan 8.290 nan 0.000 0.461 330 P HA 0.198 nan 4.420 nan 0.000 0.268 330 P C -1.378 175.916 177.300 -0.009 0.000 1.208 330 P CA 0.004 63.105 63.100 0.001 0.000 0.777 330 P CB 0.512 32.223 31.700 0.018 0.000 0.875 331 A N 2.679 125.493 122.820 -0.009 0.000 2.515 331 A HA 0.752 5.071 4.320 -0.001 0.000 0.298 331 A C -2.456 175.116 177.584 -0.020 0.000 1.059 331 A CA -1.148 50.863 52.037 -0.044 0.000 0.698 331 A CB 0.634 19.599 19.000 -0.060 0.000 1.289 331 A HN 0.404 nan 8.150 nan 0.000 0.404 332 P HA 0.529 nan 4.420 nan 0.000 0.323 332 P C -0.815 176.228 177.300 -0.429 0.000 1.309 332 P CA -0.423 62.521 63.100 -0.260 0.000 0.739 332 P CB 0.582 32.087 31.700 -0.324 0.000 1.454 333 R N -1.326 118.861 120.500 -0.521 0.000 2.732 333 R HA 0.635 4.974 4.340 -0.001 0.000 0.278 333 R C -0.836 175.043 176.300 -0.702 0.000 0.976 333 R CA -0.458 55.382 56.100 -0.433 0.000 0.963 333 R CB 0.998 31.188 30.300 -0.183 0.000 1.150 333 R HN 0.344 nan 8.270 nan 0.000 0.478 334 F N -0.106 119.830 119.950 -0.022 0.000 2.518 334 F HA 0.177 4.703 4.527 -0.001 0.000 0.323 334 F C 1.425 177.216 175.800 -0.015 0.000 1.129 334 F CA -0.763 57.227 58.000 -0.018 0.000 0.920 334 F CB 2.156 41.145 39.000 -0.019 0.000 1.160 334 F HN 0.605 nan 8.300 nan 0.000 0.440 335 S N 2.005 117.783 115.700 0.130 0.000 2.402 335 S HA -0.122 4.347 4.470 -0.001 0.000 0.229 335 S C 1.849 176.495 174.600 0.076 0.000 1.021 335 S CA 1.146 59.389 58.200 0.073 0.000 0.974 335 S CB -0.082 63.144 63.200 0.044 0.000 0.800 335 S HN 0.775 nan 8.310 nan 0.000 0.484 336 R N 1.400 121.956 120.500 0.093 0.000 2.121 336 R HA 0.082 4.421 4.340 -0.001 0.000 0.206 336 R C 0.262 176.587 176.300 0.042 0.000 1.094 336 R CA 1.262 57.395 56.100 0.055 0.000 1.055 336 R CB 0.049 30.373 30.300 0.041 0.000 0.964 336 R HN 0.507 nan 8.270 nan 0.000 0.473 337 T N -0.457 114.123 114.554 0.044 0.000 3.375 337 T HA 0.620 4.969 4.350 -0.001 0.000 0.363 337 T C -0.155 174.550 174.700 0.008 0.000 1.837 337 T CA -0.628 61.463 62.100 -0.016 0.000 1.445 337 T CB 1.115 69.925 68.868 -0.097 0.000 1.089 337 T HN 0.284 nan 8.240 nan 0.000 0.722 338 A N 2.367 125.225 122.820 0.063 0.000 2.462 338 A HA 0.577 4.897 4.320 -0.001 0.000 0.243 338 A C 0.780 178.394 177.584 0.049 0.000 1.076 338 A CA -0.500 51.601 52.037 0.107 0.000 0.773 338 A CB 0.082 19.125 19.000 0.071 0.000 1.010 338 A HN 0.706 nan 8.150 nan 0.000 0.493 339 S N 1.006 116.755 115.700 0.081 0.000 2.593 339 S HA 0.347 4.816 4.470 -0.001 0.000 0.269 339 S C 0.741 175.332 174.600 -0.014 0.000 1.334 339 S CA -0.473 57.738 58.200 0.017 0.000 1.015 339 S CB 0.688 63.916 63.200 0.045 0.000 0.912 339 S HN 0.789 nan 8.310 nan 0.000 0.541 340 S N 1.379 117.053 115.700 -0.044 0.000 2.632 340 S HA 0.190 4.660 4.470 -0.001 0.000 0.267 340 S C 0.130 174.655 174.600 -0.124 0.000 1.276 340 S CA -0.736 57.422 58.200 -0.071 0.000 0.998 340 S CB 0.424 63.582 63.200 -0.069 0.000 0.953 340 S HN 0.725 nan 8.310 nan 0.000 0.547 341 Q N 1.468 121.164 119.800 -0.173 0.000 2.286 341 Q HA 0.062 4.402 4.340 -0.001 0.000 0.290 341 Q C -2.358 173.445 176.000 -0.329 0.000 1.049 341 Q CA -1.193 54.404 55.803 -0.343 0.000 0.923 341 Q CB 0.017 28.549 28.738 -0.343 0.000 1.183 341 Q HN 0.234 nan 8.270 nan 0.000 0.383 342 P HA -0.055 nan 4.420 nan 0.000 0.265 342 P C -1.108 176.109 177.300 -0.139 0.000 1.187 342 P CA 0.548 63.520 63.100 -0.213 0.000 0.766 342 P CB 0.495 32.118 31.700 -0.129 0.000 0.820 343 R N 4.591 125.055 120.500 -0.060 0.000 2.357 343 R HA 0.316 4.655 4.340 -0.001 0.000 0.296 343 R C -1.921 174.385 176.300 0.012 0.000 1.052 343 R CA -1.710 54.374 56.100 -0.027 0.000 0.988 343 R CB 0.053 30.340 30.300 -0.021 0.000 1.025 343 R HN 0.429 nan 8.270 nan 0.000 0.469 344 P HA 0.077 nan 4.420 nan 0.000 0.270 344 P C -2.476 174.838 177.300 0.024 0.000 1.223 344 P CA -1.362 61.763 63.100 0.043 0.000 0.785 344 P CB -0.155 31.567 31.700 0.036 0.000 0.923 345 P HA 0.087 nan 4.420 nan 0.000 0.263 345 P C -0.353 176.951 177.300 0.007 0.000 1.175 345 P CA 0.810 63.919 63.100 0.014 0.000 0.761 345 P CB 0.090 31.799 31.700 0.015 0.000 0.794 346 A N 2.807 125.628 122.820 0.001 0.000 2.548 346 A HA 0.819 5.138 4.320 -0.001 0.000 0.262 346 A C -0.424 177.156 177.584 -0.006 0.000 1.271 346 A CA -0.395 51.640 52.037 -0.003 0.000 0.839 346 A CB 0.498 19.494 19.000 -0.006 0.000 1.381 346 A HN 0.516 nan 8.150 nan 0.000 0.468 347 A N -0.210 122.604 122.820 -0.009 0.000 2.483 347 A HA 0.501 4.820 4.320 -0.001 0.000 0.238 347 A C 0.620 178.195 177.584 -0.016 0.000 1.070 347 A CA 0.458 52.488 52.037 -0.011 0.000 0.770 347 A CB -0.714 18.279 19.000 -0.012 0.000 1.008 347 A HN 0.846 nan 8.150 nan 0.000 0.497 348 T N 2.190 116.734 114.554 -0.016 0.000 2.940 348 T HA 0.401 4.751 4.350 -0.001 0.000 0.309 348 T C 0.463 175.146 174.700 -0.029 0.000 1.056 348 T CA 0.813 62.899 62.100 -0.022 0.000 1.137 348 T CB -0.247 68.610 68.868 -0.018 0.000 0.976 348 T HN 0.564 nan 8.240 nan 0.000 0.547 349 I N -0.829 119.716 120.570 -0.041 0.000 2.957 349 I HA 0.586 4.756 4.170 -0.001 0.000 0.310 349 I C -0.380 175.702 176.117 -0.058 0.000 1.063 349 I CA -1.457 59.814 61.300 -0.048 0.000 1.033 349 I CB 1.771 39.739 38.000 -0.053 0.000 1.230 349 I HN 0.288 nan 8.210 nan 0.000 0.447 350 D N 2.597 122.964 120.400 -0.054 0.000 2.412 350 D HA 0.031 4.671 4.640 -0.001 0.000 0.257 350 D C 0.938 177.191 176.300 -0.079 0.000 1.217 350 D CA 0.331 54.297 54.000 -0.056 0.000 0.897 350 D CB 0.787 41.561 40.800 -0.044 0.000 1.132 350 D HN 0.669 nan 8.370 nan 0.000 0.493 351 I N 3.617 124.139 120.570 -0.080 0.000 2.248 351 I HA -0.266 3.904 4.170 -0.001 0.000 0.248 351 I C 1.635 177.687 176.117 -0.107 0.000 1.107 351 I CA 1.306 62.543 61.300 -0.105 0.000 1.373 351 I CB 0.181 38.133 38.000 -0.079 0.000 1.055 351 I HN 0.458 nan 8.210 nan 0.000 0.418 352 E N 0.950 121.108 120.200 -0.071 0.000 2.153 352 E HA -0.217 4.132 4.350 -0.001 0.000 0.194 352 E C 2.209 178.770 176.600 -0.065 0.000 0.988 352 E CA 1.292 57.658 56.400 -0.056 0.000 0.811 352 E CB -0.322 29.357 29.700 -0.035 0.000 0.746 352 E HN 0.681 nan 8.360 nan 0.000 0.466 353 A N 1.070 123.845 122.820 -0.075 0.000 1.930 353 A HA -0.090 4.230 4.320 -0.001 0.000 0.217 353 A C 2.593 180.107 177.584 -0.116 0.000 1.175 353 A CA 1.020 53.012 52.037 -0.074 0.000 0.627 353 A CB -0.476 18.484 19.000 -0.065 0.000 0.815 353 A HN 0.117 nan 8.150 nan 0.000 0.443 354 V N 0.120 119.919 119.914 -0.191 0.000 2.307 354 V HA -0.238 3.882 4.120 -0.001 0.000 0.245 354 V C 2.547 178.434 176.094 -0.346 0.000 1.045 354 V CA 1.815 63.898 62.300 -0.361 0.000 1.024 354 V CB -0.765 30.763 31.823 -0.491 0.000 0.651 354 V HN 0.565 nan 8.190 nan 0.000 0.449 355 L N -0.335 120.770 121.223 -0.197 0.000 2.012 355 L HA -0.218 4.121 4.340 -0.001 0.000 0.210 355 L C 2.677 179.557 176.870 0.017 0.000 1.073 355 L CA 2.108 56.913 54.840 -0.058 0.000 0.748 355 L CB -0.932 41.109 42.059 -0.030 0.000 0.891 355 L HN 0.365 nan 8.230 nan 0.000 0.431 356 T N -1.011 113.537 114.554 -0.010 0.000 2.684 356 T HA -0.253 4.096 4.350 -0.001 0.000 0.267 356 T C 1.498 176.229 174.700 0.051 0.000 1.036 356 T CA 1.837 63.947 62.100 0.017 0.000 1.148 356 T CB -0.297 68.570 68.868 -0.002 0.000 0.863 356 T HN 0.396 nan 8.240 nan 0.000 0.436 357 D N -0.095 120.327 120.400 0.036 0.000 2.087 357 D HA -0.143 4.496 4.640 -0.001 0.000 0.192 357 D C 1.657 178.110 176.300 0.256 0.000 0.993 357 D CA 1.206 55.268 54.000 0.102 0.000 0.828 357 D CB -0.296 40.533 40.800 0.048 0.000 0.968 357 D HN 0.410 nan 8.370 nan 0.000 0.448 358 W N 1.074 122.370 121.300 -0.007 0.000 2.525 358 W HA 0.130 4.790 4.660 -0.001 0.000 0.259 358 W C 0.073 176.588 176.519 -0.006 0.000 1.253 358 W CA 0.968 58.309 57.345 -0.007 0.000 1.262 358 W CB -0.491 28.965 29.460 -0.006 0.000 1.122 358 W HN 0.079 nan 8.180 nan 0.000 0.607 359 D N -1.042 119.481 120.400 0.206 0.000 3.061 359 D HA -0.081 4.558 4.640 -0.001 0.000 0.252 359 D C 0.263 176.632 176.300 0.114 0.000 1.080 359 D CA 1.416 55.485 54.000 0.116 0.000 0.871 359 D CB -1.202 39.644 40.800 0.077 0.000 1.018 359 D HN 0.246 nan 8.370 nan 0.000 0.425 360 G N 0.000 108.867 108.800 0.111 0.000 5.446 360 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 360 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 360 G CA 0.000 45.158 45.100 0.096 0.000 0.502 360 G HN 0.000 nan 8.290 nan 0.000 0.925