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 3feq_1_A DATA FIRST_RESID 2 DATA SEQUENCE TITVLQGGNV LDLERGVLLE HHHVVIDGER IVEVTDRPVD LPNAQAIDVR DATA SEQUENCE GKTVMPGFID CHVHVLASNA NLGVNATQPN ILAAIRSLPI LDAMLSRGFT DATA SEQUENCE SVRDAGGADW SLMQAVETGL VSGPRIFPSG KALSQTGGHG DFRPRXXXLE DATA SEQUENCE PCSCCFRTGA IARVVDGVEG VRLAVREEIQ KGATQIKIMA SGGVASPTDP DATA SEQUENCE IANTQYSEDE IRAIVDEAEA ANTYVMAHAY TGRAIARAVR CGVRTIEHGN DATA SEQUENCE LVDEAAAKLM HEHGAFVVPT LVTYDALAKH GAEFGMPPES VAKVASVQQK DATA SEQUENCE GRESLEIYAN AGVKMGFGSD LLGEMHAFQS GEFRIRAEVL GNLEALRSAT DATA SEQUENCE TVAAEIVNMQ GQLGVIAVGA IADLVVLDGN PLEDIGVVAD EGARVEYVLQ DATA SEQUENCE RGTLVKRQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.693 174.700 -0.012 0.000 1.109 2 T CA 0.000 62.093 62.100 -0.011 0.000 1.349 2 T CB 0.000 68.861 68.868 -0.012 0.000 0.612 3 I N -0.314 120.247 120.570 -0.014 0.000 2.908 3 I HA 0.674 4.844 4.170 0.000 0.000 0.300 3 I C -1.896 174.210 176.117 -0.018 0.000 1.385 3 I CA -0.202 61.089 61.300 -0.014 0.000 1.004 3 I CB 2.304 40.297 38.000 -0.012 0.000 1.309 3 I HN 1.006 nan 8.210 nan 0.000 0.449 4 T N 5.072 119.614 114.554 -0.019 0.000 2.933 4 T HA 0.612 4.962 4.350 0.000 0.000 0.305 4 T C -1.537 173.150 174.700 -0.020 0.000 1.092 4 T CA -0.473 61.611 62.100 -0.027 0.000 1.008 4 T CB 2.131 70.975 68.868 -0.040 0.000 1.102 4 T HN 0.313 nan 8.240 nan 0.000 0.469 5 V N 3.868 123.769 119.914 -0.020 0.000 2.443 5 V HA 0.397 4.517 4.120 0.000 0.000 0.293 5 V C -0.948 175.133 176.094 -0.022 0.000 1.021 5 V CA -0.966 61.336 62.300 0.002 0.000 0.848 5 V CB 1.636 33.482 31.823 0.039 0.000 0.998 5 V HN 0.641 nan 8.190 nan 0.000 0.424 6 L N 5.921 127.124 121.223 -0.033 0.000 2.315 6 L HA 0.423 4.764 4.340 0.000 0.000 0.283 6 L C 0.412 177.244 176.870 -0.062 0.000 1.089 6 L CA 0.273 55.070 54.840 -0.072 0.000 0.833 6 L CB 0.716 42.726 42.059 -0.082 0.000 1.170 6 L HN 0.809 nan 8.230 nan 0.000 0.442 7 Q N 1.180 120.918 119.800 -0.104 0.000 2.293 7 Q HA 0.627 4.967 4.340 0.000 0.000 0.261 7 Q C 0.661 176.430 176.000 -0.384 0.000 0.960 7 Q CA -0.439 55.217 55.803 -0.244 0.000 0.882 7 Q CB 1.713 30.443 28.738 -0.013 0.000 1.275 7 Q HN 0.782 nan 8.270 nan 0.000 0.445 8 G N 1.903 110.261 108.800 -0.736 0.000 2.153 8 G HA2 -0.259 3.701 3.960 0.000 0.000 0.252 8 G HA3 -0.259 3.701 3.960 0.000 0.000 0.252 8 G C 0.363 175.092 174.900 -0.285 0.000 0.994 8 G CA -0.135 44.738 45.100 -0.378 0.000 0.698 8 G HN 0.999 nan 8.290 nan 0.000 0.521 9 G N -0.653 108.014 108.800 -0.221 0.000 2.599 9 G HA2 0.480 4.440 3.960 0.000 0.000 0.264 9 G HA3 0.480 4.440 3.960 0.000 0.000 0.264 9 G C 0.009 174.830 174.900 -0.132 0.000 1.200 9 G CA -0.341 44.666 45.100 -0.155 0.000 0.896 9 G HN 0.493 nan 8.290 nan 0.000 0.536 10 N N 0.013 118.643 118.700 -0.116 0.000 2.801 10 N HA 0.304 5.044 4.740 0.000 0.000 0.235 10 N C -0.439 175.028 175.510 -0.071 0.000 1.069 10 N CA -0.546 52.452 53.050 -0.086 0.000 0.946 10 N CB 1.857 40.289 38.487 -0.090 0.000 1.212 10 N HN 0.192 nan 8.380 nan 0.000 0.509 11 V N 2.530 122.400 119.914 -0.073 0.000 2.493 11 V HA -0.056 4.064 4.120 0.000 0.000 0.292 11 V C 0.728 176.766 176.094 -0.092 0.000 1.016 11 V CA -0.120 62.133 62.300 -0.078 0.000 1.097 11 V CB 0.434 32.208 31.823 -0.082 0.000 0.947 11 V HN 0.628 nan 8.190 nan 0.000 0.479 12 L N 5.527 126.713 121.223 -0.061 0.000 2.361 12 L HA 0.276 4.616 4.340 0.000 0.000 0.278 12 L C 0.321 177.163 176.870 -0.046 0.000 1.113 12 L CA 0.172 54.983 54.840 -0.049 0.000 0.849 12 L CB 0.540 42.582 42.059 -0.027 0.000 1.155 12 L HN 0.708 nan 8.230 nan 0.000 0.452 13 D N 4.678 125.047 120.400 -0.051 0.000 2.303 13 D HA 0.178 4.818 4.640 0.000 0.000 0.236 13 D C 0.561 176.852 176.300 -0.016 0.000 1.068 13 D CA -0.397 53.581 54.000 -0.037 0.000 0.830 13 D CB 1.868 42.636 40.800 -0.053 0.000 1.109 13 D HN 0.515 nan 8.370 nan 0.000 0.496 14 L N 3.197 124.420 121.223 -0.000 0.000 2.298 14 L HA -0.023 4.317 4.340 0.000 0.000 0.209 14 L C 2.402 179.283 176.870 0.017 0.000 1.084 14 L CA 0.334 55.182 54.840 0.013 0.000 0.816 14 L CB 0.049 42.124 42.059 0.028 0.000 0.967 14 L HN 0.485 nan 8.230 nan 0.000 0.460 15 E N 0.350 120.559 120.200 0.014 0.000 2.216 15 E HA -0.170 4.180 4.350 0.000 0.000 0.192 15 E C 1.830 178.437 176.600 0.012 0.000 0.988 15 E CA 0.852 57.262 56.400 0.017 0.000 0.834 15 E CB -0.054 29.657 29.700 0.017 0.000 0.772 15 E HN 0.465 nan 8.360 nan 0.000 0.479 16 R N -0.041 120.462 120.500 0.005 0.000 2.237 16 R HA 0.156 4.496 4.340 0.000 0.000 0.195 16 R C 0.885 177.186 176.300 0.002 0.000 0.956 16 R CA 0.558 56.660 56.100 0.003 0.000 1.029 16 R CB 0.547 30.846 30.300 -0.002 0.000 0.972 16 R HN 0.301 nan 8.270 nan 0.000 0.493 17 G N 1.289 110.089 108.800 0.000 0.000 2.204 17 G HA2 -0.211 3.749 3.960 0.000 0.000 0.244 17 G HA3 -0.211 3.749 3.960 0.000 0.000 0.244 17 G C -0.173 174.724 174.900 -0.005 0.000 1.062 17 G CA 0.184 45.285 45.100 0.001 0.000 0.798 17 G HN 0.231 nan 8.290 nan 0.000 0.496 18 V N -2.908 116.996 119.914 -0.016 0.000 3.049 18 V HA 0.802 4.922 4.120 0.000 0.000 0.309 18 V C 0.653 176.724 176.094 -0.038 0.000 1.148 18 V CA -1.757 60.531 62.300 -0.021 0.000 0.990 18 V CB 2.017 33.829 31.823 -0.018 0.000 1.039 18 V HN 0.300 nan 8.190 nan 0.000 0.430 19 L N 2.496 123.697 121.223 -0.038 0.000 2.417 19 L HA 0.451 4.791 4.340 0.000 0.000 0.268 19 L C -0.554 176.270 176.870 -0.076 0.000 1.158 19 L CA -0.300 54.507 54.840 -0.055 0.000 0.819 19 L CB 0.922 42.957 42.059 -0.040 0.000 1.112 19 L HN 0.538 nan 8.230 nan 0.000 0.458 20 L N 3.768 124.907 121.223 -0.139 0.000 2.324 20 L HA 0.285 4.625 4.340 0.000 0.000 0.274 20 L C 0.116 176.969 176.870 -0.028 0.000 1.012 20 L CA -0.762 53.943 54.840 -0.226 0.000 0.859 20 L CB 0.961 42.573 42.059 -0.744 0.000 1.224 20 L HN 0.593 nan 8.230 nan 0.000 0.429 21 E N 3.083 123.352 120.200 0.114 0.000 2.383 21 E HA 0.024 4.374 4.350 0.000 0.000 0.264 21 E C 0.087 176.854 176.600 0.277 0.000 1.050 21 E CA -0.462 56.010 56.400 0.118 0.000 0.896 21 E CB 0.328 30.104 29.700 0.126 0.000 0.982 21 E HN 0.544 nan 8.360 nan 0.000 0.424 22 H N 0.228 119.355 119.070 0.096 0.000 2.690 22 H HA -0.167 4.390 4.556 0.000 0.000 0.309 22 H C -0.699 174.656 175.328 0.045 0.000 1.138 22 H CA 1.037 57.100 56.048 0.026 0.000 1.142 22 H CB -1.931 27.841 29.762 0.016 0.000 1.410 22 H HN 0.507 nan 8.280 nan 0.000 0.409 23 H N 0.450 119.537 119.070 0.027 0.000 2.527 23 H HA 0.258 4.814 4.556 0.000 0.000 0.321 23 H C 0.849 176.180 175.328 0.004 0.000 1.087 23 H CA -0.189 55.901 56.048 0.070 0.000 1.337 23 H CB 0.650 30.439 29.762 0.044 0.000 1.440 23 H HN 0.304 nan 8.280 nan 0.000 0.490 24 H N 1.506 120.617 119.070 0.069 0.000 2.511 24 H HA 0.314 4.870 4.556 0.000 0.000 0.346 24 H C -0.317 175.037 175.328 0.043 0.000 1.128 24 H CA -0.547 55.523 56.048 0.036 0.000 1.342 24 H CB 2.142 31.908 29.762 0.007 0.000 1.470 24 H HN 0.287 nan 8.280 nan 0.000 0.546 25 V N 3.674 123.659 119.914 0.119 0.000 2.487 25 V HA 0.294 4.414 4.120 0.000 0.000 0.298 25 V C -0.898 175.225 176.094 0.048 0.000 1.028 25 V CA -0.593 61.750 62.300 0.072 0.000 0.860 25 V CB 1.385 33.229 31.823 0.035 0.000 0.991 25 V HN 0.449 nan 8.190 nan 0.000 0.427 26 V N 8.016 127.953 119.914 0.039 0.000 2.370 26 V HA 0.543 4.663 4.120 0.000 0.000 0.283 26 V C -0.190 175.908 176.094 0.007 0.000 1.023 26 V CA -0.598 61.714 62.300 0.020 0.000 0.857 26 V CB 1.308 33.141 31.823 0.016 0.000 0.985 26 V HN 0.701 nan 8.190 nan 0.000 0.443 27 I N 3.662 124.230 120.570 -0.004 0.000 2.354 27 I HA 0.481 4.651 4.170 0.000 0.000 0.292 27 I C -0.394 175.717 176.117 -0.010 0.000 0.989 27 I CA -0.390 60.904 61.300 -0.009 0.000 1.188 27 I CB 1.406 39.394 38.000 -0.020 0.000 1.342 27 I HN 0.630 nan 8.210 nan 0.000 0.457 28 D N 4.081 124.477 120.400 -0.007 0.000 2.492 28 D HA 0.588 5.228 4.640 0.000 0.000 0.248 28 D C 0.729 177.024 176.300 -0.008 0.000 1.101 28 D CA 0.604 54.599 54.000 -0.008 0.000 0.840 28 D CB 1.701 42.498 40.800 -0.005 0.000 1.209 28 D HN 0.825 nan 8.370 nan 0.000 0.524 29 G N 4.060 112.854 108.800 -0.010 0.000 2.602 29 G HA2 -0.354 3.606 3.960 0.000 0.000 0.310 29 G HA3 -0.354 3.606 3.960 0.000 0.000 0.310 29 G C 0.743 175.636 174.900 -0.012 0.000 1.183 29 G CA 0.588 45.682 45.100 -0.010 0.000 0.979 29 G HN 0.588 nan 8.290 nan 0.000 0.545 30 E N 1.056 121.251 120.200 -0.010 0.000 2.498 30 E HA 0.197 4.547 4.350 0.000 0.000 0.203 30 E C 1.030 177.627 176.600 -0.007 0.000 1.013 30 E CA -0.106 56.288 56.400 -0.010 0.000 0.927 30 E CB 0.508 30.202 29.700 -0.010 0.000 1.012 30 E HN 0.381 nan 8.360 nan 0.000 0.482 31 R N 0.822 121.319 120.500 -0.004 0.000 2.778 31 R HA 0.477 4.817 4.340 0.000 0.000 0.277 31 R C -0.293 176.007 176.300 -0.001 0.000 0.977 31 R CA -0.806 55.294 56.100 -0.000 0.000 0.950 31 R CB 1.959 32.261 30.300 0.004 0.000 1.165 31 R HN -0.042 nan 8.270 nan 0.000 0.474 32 I N 2.569 123.140 120.570 0.002 0.000 2.379 32 I HA -0.005 4.165 4.170 0.000 0.000 0.290 32 I C 1.172 177.294 176.117 0.008 0.000 1.063 32 I CA -0.081 61.222 61.300 0.004 0.000 1.351 32 I CB 1.232 39.236 38.000 0.006 0.000 1.410 32 I HN 0.450 nan 8.210 nan 0.000 0.505 33 V N 4.317 124.236 119.914 0.008 0.000 2.949 33 V HA 0.151 4.271 4.120 0.000 0.000 0.245 33 V C 0.658 176.760 176.094 0.013 0.000 1.086 33 V CA 0.685 62.990 62.300 0.009 0.000 1.097 33 V CB -0.244 31.581 31.823 0.004 0.000 0.762 33 V HN 0.726 nan 8.190 nan 0.000 0.470 34 E N -0.199 120.013 120.200 0.019 0.000 2.304 34 E HA 0.530 4.880 4.350 0.000 0.000 0.277 34 E C -1.954 174.674 176.600 0.047 0.000 0.898 34 E CA -0.288 56.129 56.400 0.027 0.000 0.764 34 E CB 2.998 32.709 29.700 0.017 0.000 1.216 34 E HN 0.050 nan 8.360 nan 0.000 0.419 35 V N 2.817 122.770 119.914 0.064 0.000 2.376 35 V HA 0.562 4.682 4.120 0.000 0.000 0.287 35 V C -0.204 175.981 176.094 0.152 0.000 1.015 35 V CA -0.455 61.910 62.300 0.108 0.000 0.834 35 V CB 1.413 33.294 31.823 0.096 0.000 1.001 35 V HN 0.675 nan 8.190 nan 0.000 0.428 36 T N 1.850 116.493 114.554 0.149 0.000 2.889 36 T HA 0.362 4.712 4.350 0.000 0.000 0.315 36 T C -0.569 174.091 174.700 -0.067 0.000 1.291 36 T CA -0.350 61.780 62.100 0.050 0.000 1.028 36 T CB 1.956 70.824 68.868 0.000 0.000 1.235 36 T HN 0.801 nan 8.240 nan 0.000 0.491 37 D N 1.513 121.734 120.400 -0.298 0.000 2.388 37 D HA 0.134 4.774 4.640 0.000 0.000 0.221 37 D C 0.547 176.780 176.300 -0.112 0.000 1.133 37 D CA -0.491 53.350 54.000 -0.265 0.000 0.831 37 D CB 0.132 40.611 40.800 -0.536 0.000 0.962 37 D HN 0.091 nan 8.370 nan 0.000 0.502 38 R N 2.171 122.595 120.500 -0.128 0.000 2.697 38 R HA 0.142 4.482 4.340 0.000 0.000 0.265 38 R C -2.107 174.039 176.300 -0.257 0.000 1.009 38 R CA -1.488 54.523 56.100 -0.149 0.000 1.099 38 R CB -0.635 29.581 30.300 -0.140 0.000 0.965 38 R HN 0.170 nan 8.270 nan 0.000 0.428 39 P HA -0.022 nan 4.420 nan 0.000 0.262 39 P C -0.218 176.928 177.300 -0.255 0.000 1.199 39 P CA 0.197 63.163 63.100 -0.224 0.000 0.763 39 P CB 0.632 32.268 31.700 -0.108 0.000 0.790 40 V N 3.323 123.021 119.914 -0.361 0.000 2.630 40 V HA 0.185 4.305 4.120 0.000 0.000 0.305 40 V C 0.283 176.297 176.094 -0.135 0.000 1.046 40 V CA -0.413 61.737 62.300 -0.249 0.000 0.934 40 V CB 1.769 33.416 31.823 -0.294 0.000 1.003 40 V HN 0.378 nan 8.190 nan 0.000 0.451 41 D N 4.026 124.374 120.400 -0.087 0.000 2.741 41 D HA 0.257 4.897 4.640 0.000 0.000 0.233 41 D C -0.022 176.255 176.300 -0.039 0.000 1.160 41 D CA -0.262 53.705 54.000 -0.056 0.000 1.003 41 D CB -0.272 40.501 40.800 -0.046 0.000 1.064 41 D HN 0.457 nan 8.370 nan 0.000 0.503 42 L N 0.532 121.734 121.223 -0.034 0.000 2.312 42 L HA 0.553 4.893 4.340 0.000 0.000 0.287 42 L C -1.713 175.148 176.870 -0.015 0.000 1.091 42 L CA -1.062 53.766 54.840 -0.020 0.000 0.846 42 L CB 0.645 42.699 42.059 -0.009 0.000 1.219 42 L HN -0.016 nan 8.230 nan 0.000 0.439 43 P HA 0.110 nan 4.420 nan 0.000 0.209 43 P C 0.235 177.529 177.300 -0.010 0.000 1.196 43 P CA 0.702 63.794 63.100 -0.012 0.000 0.906 43 P CB 0.260 31.953 31.700 -0.012 0.000 0.754 44 N N -0.796 117.898 118.700 -0.010 0.000 2.389 44 N HA 0.397 5.137 4.740 0.000 0.000 0.260 44 N C -0.634 174.869 175.510 -0.011 0.000 1.191 44 N CA -0.233 52.811 53.050 -0.010 0.000 0.885 44 N CB 0.241 38.722 38.487 -0.009 0.000 1.162 44 N HN 0.136 nan 8.380 nan 0.000 0.512 45 A N 0.366 123.179 122.820 -0.011 0.000 2.331 45 A HA 0.321 4.641 4.320 0.000 0.000 0.283 45 A C 0.155 177.730 177.584 -0.015 0.000 1.142 45 A CA -0.355 51.675 52.037 -0.013 0.000 0.812 45 A CB 0.442 19.436 19.000 -0.010 0.000 1.074 45 A HN 0.219 nan 8.150 nan 0.000 0.497 46 Q N 1.256 121.043 119.800 -0.022 0.000 2.257 46 Q HA 0.375 4.715 4.340 0.000 0.000 0.273 46 Q C 0.211 176.188 176.000 -0.037 0.000 1.153 46 Q CA 0.631 56.416 55.803 -0.031 0.000 0.922 46 Q CB 0.378 29.093 28.738 -0.039 0.000 1.242 46 Q HN 0.782 nan 8.270 nan 0.000 0.409 47 A N 4.814 127.616 122.820 -0.030 0.000 2.354 47 A HA 0.453 4.774 4.320 0.000 0.000 0.281 47 A C -0.487 177.058 177.584 -0.065 0.000 1.174 47 A CA -0.360 51.658 52.037 -0.031 0.000 0.828 47 A CB 0.102 19.097 19.000 -0.008 0.000 1.099 47 A HN 0.775 nan 8.150 nan 0.000 0.516 48 I N 2.212 122.718 120.570 -0.108 0.000 2.362 48 I HA 0.185 4.355 4.170 0.000 0.000 0.289 48 I C -0.438 175.593 176.117 -0.145 0.000 0.994 48 I CA -0.401 60.790 61.300 -0.182 0.000 1.158 48 I CB 1.907 39.694 38.000 -0.356 0.000 1.315 48 I HN 0.652 nan 8.210 nan 0.000 0.451 49 D N 5.587 125.933 120.400 -0.090 0.000 2.325 49 D HA 0.292 4.932 4.640 0.000 0.000 0.251 49 D C -0.125 176.156 176.300 -0.031 0.000 1.196 49 D CA 0.008 53.981 54.000 -0.045 0.000 0.866 49 D CB 0.969 41.766 40.800 -0.006 0.000 1.101 49 D HN 0.233 nan 8.370 nan 0.000 0.476 50 V N 5.360 125.239 119.914 -0.058 0.000 2.804 50 V HA 0.131 4.251 4.120 0.000 0.000 0.360 50 V C 0.503 176.557 176.094 -0.068 0.000 1.282 50 V CA -0.752 61.524 62.300 -0.040 0.000 1.274 50 V CB -0.628 31.156 31.823 -0.066 0.000 1.415 50 V HN 0.544 nan 8.190 nan 0.000 0.610 51 R N 1.606 122.075 120.500 -0.052 0.000 2.489 51 R HA 0.286 4.626 4.340 0.000 0.000 0.287 51 R C 0.827 177.082 176.300 -0.074 0.000 1.053 51 R CA 1.071 57.129 56.100 -0.070 0.000 1.036 51 R CB 0.290 30.588 30.300 -0.004 0.000 0.966 51 R HN 0.725 nan 8.270 nan 0.000 0.432 52 G N 2.532 111.246 108.800 -0.144 0.000 2.225 52 G HA2 -0.327 3.633 3.960 0.000 0.000 0.267 52 G HA3 -0.327 3.633 3.960 0.000 0.000 0.267 52 G C -0.438 174.420 174.900 -0.071 0.000 1.024 52 G CA 0.832 45.869 45.100 -0.105 0.000 0.784 52 G HN 0.675 nan 8.290 nan 0.000 0.507 53 K N -0.305 120.050 120.400 -0.075 0.000 2.426 53 K HA 0.533 4.853 4.320 0.000 0.000 0.251 53 K C -0.236 176.333 176.600 -0.053 0.000 0.941 53 K CA -0.674 55.586 56.287 -0.045 0.000 0.808 53 K CB 1.593 34.087 32.500 -0.011 0.000 1.265 53 K HN 0.048 nan 8.250 nan 0.000 0.432 54 T N 1.528 116.057 114.554 -0.042 0.000 2.761 54 T HA 0.128 4.478 4.350 0.000 0.000 0.296 54 T C -0.572 174.105 174.700 -0.039 0.000 0.934 54 T CA -0.462 61.611 62.100 -0.045 0.000 1.091 54 T CB 0.719 69.563 68.868 -0.040 0.000 0.896 54 T HN 0.298 nan 8.240 nan 0.000 0.515 55 V N 7.307 127.194 119.914 -0.046 0.000 2.347 55 V HA 0.780 4.900 4.120 0.000 0.000 0.280 55 V C -0.487 175.578 176.094 -0.047 0.000 1.021 55 V CA -0.790 61.482 62.300 -0.047 0.000 0.847 55 V CB 0.421 32.216 31.823 -0.047 0.000 0.990 55 V HN 0.949 nan 8.190 nan 0.000 0.444 56 M N 6.167 125.733 119.600 -0.056 0.000 2.691 56 M HA 0.835 5.315 4.480 0.000 0.000 0.293 56 M C -3.003 173.253 176.300 -0.072 0.000 1.259 56 M CA -2.228 53.047 55.300 -0.041 0.000 0.827 56 M CB 2.146 34.744 32.600 -0.002 0.000 1.753 56 M HN 0.264 nan 8.290 nan 0.000 0.465 57 P HA 0.208 nan 4.420 nan 0.000 0.271 57 P C -0.005 177.204 177.300 -0.152 0.000 1.218 57 P CA 0.119 63.184 63.100 -0.058 0.000 0.780 57 P CB 0.312 32.013 31.700 0.003 0.000 0.901 58 G N 2.425 111.099 108.800 -0.210 0.000 2.414 58 G HA2 0.184 4.144 3.960 0.000 0.000 0.236 58 G HA3 0.184 4.144 3.960 0.000 0.000 0.236 58 G C -0.486 174.282 174.900 -0.220 0.000 1.293 58 G CA -0.272 44.603 45.100 -0.376 0.000 0.869 58 G HN 0.220 nan 8.290 nan 0.000 0.556 59 F N 0.389 120.243 119.950 -0.159 0.000 2.450 59 F HA 0.421 4.948 4.527 0.000 0.000 0.339 59 F C 0.915 176.745 175.800 0.051 0.000 1.146 59 F CA -0.962 56.935 58.000 -0.172 0.000 1.267 59 F CB 0.566 39.203 39.000 -0.606 0.000 1.178 59 F HN 0.167 nan 8.300 nan 0.000 0.585 60 I N 1.964 122.728 120.570 0.323 0.000 2.418 60 I HA 0.206 4.376 4.170 0.000 0.000 0.287 60 I C -0.725 175.606 176.117 0.355 0.000 1.008 60 I CA -0.640 60.849 61.300 0.315 0.000 1.104 60 I CB 1.637 39.752 38.000 0.192 0.000 1.264 60 I HN 0.440 nan 8.210 nan 0.000 0.438 61 D N 5.631 126.255 120.400 0.373 0.000 2.392 61 D HA 0.223 4.864 4.640 0.000 0.000 0.228 61 D C 0.302 176.713 176.300 0.185 0.000 1.074 61 D CA -0.386 53.805 54.000 0.319 0.000 0.838 61 D CB 1.759 42.582 40.800 0.039 0.000 1.067 61 D HN 0.575 nan 8.370 nan 0.000 0.511 62 C N 2.503 121.907 119.300 0.172 0.000 2.562 62 C HA 0.081 4.541 4.460 0.000 0.000 0.266 62 C C 0.910 175.934 174.990 0.057 0.000 1.382 62 C CA 0.040 59.104 59.018 0.078 0.000 1.742 62 C CB -1.577 26.187 27.740 0.040 0.000 1.812 62 C HN 0.598 nan 8.230 nan 0.000 0.559 63 H N -0.163 118.870 119.070 -0.062 0.000 3.021 63 H HA 0.487 5.043 4.556 0.000 0.000 0.293 63 H C -0.699 174.536 175.328 -0.155 0.000 1.244 63 H CA -0.208 55.758 56.048 -0.137 0.000 1.596 63 H CB 0.564 30.224 29.762 -0.171 0.000 1.720 63 H HN 0.101 nan 8.280 nan 0.000 0.537 64 V N 1.001 120.821 119.914 -0.156 0.000 3.046 64 V HA 0.542 4.662 4.120 0.000 0.000 0.316 64 V C -0.455 175.437 176.094 -0.336 0.000 1.104 64 V CA -0.841 61.393 62.300 -0.110 0.000 1.006 64 V CB 2.369 34.179 31.823 -0.022 0.000 1.058 64 V HN 0.712 nan 8.190 nan 0.000 0.440 65 H N 1.622 120.747 119.070 0.092 0.000 2.736 65 H HA 0.396 4.952 4.556 0.000 0.000 0.271 65 H C 0.687 176.097 175.328 0.137 0.000 1.184 65 H CA -0.288 55.810 56.048 0.083 0.000 1.378 65 H CB 1.830 31.643 29.762 0.085 0.000 1.428 65 H HN 0.537 nan 8.280 nan 0.000 0.500 66 V N 2.813 122.808 119.914 0.137 0.000 2.469 66 V HA -0.248 3.872 4.120 0.000 0.000 0.251 66 V C 2.140 178.251 176.094 0.028 0.000 1.064 66 V CA 1.622 63.958 62.300 0.060 0.000 1.066 66 V CB -0.207 31.619 31.823 0.006 0.000 0.667 66 V HN 0.548 nan 8.190 nan 0.000 0.461 67 L N -0.115 121.148 121.223 0.066 0.000 2.558 67 L HA 0.275 4.615 4.340 0.000 0.000 0.225 67 L C 1.569 178.458 176.870 0.032 0.000 1.128 67 L CA 0.335 55.193 54.840 0.029 0.000 0.868 67 L CB -0.262 41.813 42.059 0.027 0.000 1.006 67 L HN 0.229 nan 8.230 nan 0.000 0.454 68 A N -0.000 122.878 122.820 0.098 0.000 2.899 68 A HA 0.148 4.468 4.320 0.000 0.000 0.287 68 A C 1.494 179.130 177.584 0.086 0.000 1.715 68 A CA 0.495 52.585 52.037 0.087 0.000 1.393 68 A CB -0.400 18.687 19.000 0.145 0.000 1.070 68 A HN 0.398 nan 8.150 nan 0.000 0.587 69 S N 1.179 116.880 115.700 0.002 0.000 2.528 69 S HA 0.041 4.511 4.470 0.000 0.000 0.219 69 S C 0.449 175.027 174.600 -0.037 0.000 0.985 69 S CA 0.242 58.423 58.200 -0.033 0.000 0.914 69 S CB -0.487 62.679 63.200 -0.057 0.000 0.776 69 S HN 0.931 nan 8.310 nan 0.000 0.526 70 N N -1.270 117.409 118.700 -0.034 0.000 2.525 70 N HA 0.670 5.410 4.740 0.000 0.000 0.270 70 N C 0.295 175.786 175.510 -0.033 0.000 1.321 70 N CA -0.436 52.589 53.050 -0.043 0.000 0.797 70 N CB 0.991 39.449 38.487 -0.050 0.000 1.529 70 N HN -0.061 nan 8.380 nan 0.000 0.491 71 A N 0.094 122.908 122.820 -0.010 0.000 2.119 71 A HA -0.040 4.280 4.320 0.000 0.000 0.217 71 A C 0.719 178.296 177.584 -0.012 0.000 1.153 71 A CA 0.624 52.671 52.037 0.018 0.000 0.692 71 A CB -0.713 18.345 19.000 0.096 0.000 0.799 71 A HN 0.698 nan 8.150 nan 0.000 0.458 72 N N 0.975 119.650 118.700 -0.040 0.000 2.521 72 N HA 0.275 5.016 4.740 0.000 0.000 0.236 72 N C 0.568 175.953 175.510 -0.209 0.000 1.067 72 N CA -0.137 52.860 53.050 -0.089 0.000 0.939 72 N CB 0.540 38.993 38.487 -0.056 0.000 1.201 72 N HN 0.322 nan 8.380 nan 0.000 0.511 73 L N 2.208 123.229 121.223 -0.338 0.000 2.201 73 L HA -0.027 4.313 4.340 0.000 0.000 0.212 73 L C 2.272 178.580 176.870 -0.937 0.000 1.105 73 L CA 1.010 55.476 54.840 -0.624 0.000 0.775 73 L CB -0.270 41.335 42.059 -0.756 0.000 0.913 73 L HN 0.541 nan 8.230 nan 0.000 0.440 74 G N -0.435 107.877 108.800 -0.812 0.000 2.459 74 G HA2 -0.255 3.705 3.960 0.000 0.000 0.217 74 G HA3 -0.255 3.705 3.960 0.000 0.000 0.217 74 G C 1.609 176.356 174.900 -0.255 0.000 1.183 74 G CA 0.999 45.810 45.100 -0.481 0.000 0.776 74 G HN 0.200 nan 8.290 nan 0.000 0.552 75 V N 0.774 120.578 119.914 -0.184 0.000 2.719 75 V HA -0.069 4.051 4.120 0.000 0.000 0.252 75 V C 2.465 178.492 176.094 -0.112 0.000 1.065 75 V CA 2.032 64.267 62.300 -0.108 0.000 1.086 75 V CB -0.362 31.421 31.823 -0.067 0.000 0.700 75 V HN 0.479 nan 8.190 nan 0.000 0.467 76 N N 0.490 119.096 118.700 -0.156 0.000 2.104 76 N HA -0.160 4.580 4.740 0.000 0.000 0.190 76 N C 1.761 177.205 175.510 -0.110 0.000 1.024 76 N CA 1.688 54.660 53.050 -0.130 0.000 0.853 76 N CB -0.311 38.082 38.487 -0.156 0.000 1.008 76 N HN 0.492 nan 8.380 nan 0.000 0.424 77 A N -0.821 121.910 122.820 -0.148 0.000 2.015 77 A HA -0.096 4.224 4.320 0.000 0.000 0.219 77 A C 2.047 179.613 177.584 -0.030 0.000 1.163 77 A CA 1.906 53.897 52.037 -0.076 0.000 0.646 77 A CB -0.856 18.100 19.000 -0.073 0.000 0.806 77 A HN 0.562 nan 8.150 nan 0.000 0.448 78 T N -1.601 112.928 114.554 -0.042 0.000 3.086 78 T HA 0.162 4.512 4.350 0.000 0.000 0.250 78 T C 0.774 175.464 174.700 -0.017 0.000 1.074 78 T CA 0.172 62.261 62.100 -0.018 0.000 0.988 78 T CB -0.411 68.446 68.868 -0.018 0.000 0.988 78 T HN 0.696 nan 8.240 nan 0.000 0.530 79 Q N 1.772 121.558 119.800 -0.025 0.000 2.373 79 Q HA 0.378 4.718 4.340 0.000 0.000 0.255 79 Q C -2.715 173.279 176.000 -0.010 0.000 0.980 79 Q CA -2.035 53.756 55.803 -0.020 0.000 0.882 79 Q CB -0.012 28.709 28.738 -0.028 0.000 1.249 79 Q HN 0.078 nan 8.270 nan 0.000 0.438 80 P HA -0.019 nan 4.420 nan 0.000 0.268 80 P C -0.136 177.165 177.300 0.001 0.000 1.208 80 P CA -0.208 62.891 63.100 -0.002 0.000 0.777 80 P CB 0.558 32.255 31.700 -0.004 0.000 0.875 81 N N 1.906 120.610 118.700 0.007 0.000 2.043 81 N HA -0.152 4.588 4.740 0.000 0.000 0.193 81 N C 1.552 177.066 175.510 0.006 0.000 1.037 81 N CA 1.046 54.103 53.050 0.013 0.000 0.851 81 N CB -0.869 37.631 38.487 0.021 0.000 1.027 81 N HN 0.463 nan 8.380 nan 0.000 0.422 82 I N 0.656 121.228 120.570 0.003 0.000 2.361 82 I HA -0.160 4.010 4.170 0.000 0.000 0.251 82 I C 1.699 177.811 176.117 -0.008 0.000 1.133 82 I CA 1.133 62.432 61.300 -0.001 0.000 1.413 82 I CB -0.497 37.502 38.000 -0.001 0.000 1.073 82 I HN 0.106 nan 8.210 nan 0.000 0.424 83 L N 1.134 122.351 121.223 -0.010 0.000 2.093 83 L HA -0.115 4.225 4.340 0.000 0.000 0.208 83 L C 2.893 179.751 176.870 -0.020 0.000 1.085 83 L CA 1.216 56.047 54.840 -0.016 0.000 0.755 83 L CB -0.537 41.512 42.059 -0.016 0.000 0.904 83 L HN 0.317 nan 8.230 nan 0.000 0.435 84 A N -0.268 122.542 122.820 -0.016 0.000 1.933 84 A HA -0.167 4.153 4.320 0.000 0.000 0.218 84 A C 2.442 180.014 177.584 -0.020 0.000 1.175 84 A CA 1.673 53.700 52.037 -0.018 0.000 0.628 84 A CB -0.543 18.452 19.000 -0.008 0.000 0.814 84 A HN 0.439 nan 8.150 nan 0.000 0.444 85 A N 0.068 122.879 122.820 -0.015 0.000 1.854 85 A HA 0.032 4.353 4.320 0.000 0.000 0.214 85 A C 1.949 179.516 177.584 -0.028 0.000 1.192 85 A CA 1.458 53.484 52.037 -0.018 0.000 0.611 85 A CB -0.533 18.461 19.000 -0.010 0.000 0.832 85 A HN 0.343 nan 8.150 nan 0.000 0.442 86 I N 0.274 120.828 120.570 -0.027 0.000 2.113 86 I HA -0.261 3.909 4.170 0.000 0.000 0.242 86 I C 2.448 178.539 176.117 -0.043 0.000 1.064 86 I CA 1.620 62.900 61.300 -0.032 0.000 1.320 86 I CB -1.364 36.620 38.000 -0.028 0.000 1.028 86 I HN 0.333 nan 8.210 nan 0.000 0.406 87 R N 0.416 120.888 120.500 -0.046 0.000 2.241 87 R HA -0.106 4.234 4.340 0.000 0.000 0.224 87 R C 2.253 178.505 176.300 -0.080 0.000 1.101 87 R CA 1.351 57.415 56.100 -0.060 0.000 0.995 87 R CB -0.238 30.028 30.300 -0.056 0.000 0.870 87 R HN 0.549 nan 8.270 nan 0.000 0.463 88 S N -0.021 115.636 115.700 -0.072 0.000 2.496 88 S HA 0.039 4.509 4.470 0.000 0.000 0.224 88 S C 1.928 176.474 174.600 -0.090 0.000 0.996 88 S CA 0.107 58.254 58.200 -0.088 0.000 0.927 88 S CB -0.042 63.121 63.200 -0.061 0.000 0.774 88 S HN 0.195 nan 8.310 nan 0.000 0.524 89 L N 1.323 122.503 121.223 -0.072 0.000 1.994 89 L HA 0.012 4.352 4.340 0.000 0.000 0.208 89 L C -0.462 176.366 176.870 -0.069 0.000 1.071 89 L CA 1.439 56.241 54.840 -0.064 0.000 0.745 89 L CB -2.019 40.010 42.059 -0.051 0.000 0.892 89 L HN 0.251 nan 8.230 nan 0.000 0.431 90 P HA -0.208 nan 4.420 nan 0.000 0.216 90 P C 1.825 179.062 177.300 -0.104 0.000 1.154 90 P CA 1.639 64.691 63.100 -0.080 0.000 0.865 90 P CB 0.008 31.656 31.700 -0.086 0.000 0.789 91 I N -1.746 118.729 120.570 -0.157 0.000 2.179 91 I HA -0.236 3.934 4.170 0.000 0.000 0.242 91 I C 2.372 178.403 176.117 -0.143 0.000 1.088 91 I CA 1.352 62.506 61.300 -0.243 0.000 1.357 91 I CB -0.633 37.120 38.000 -0.411 0.000 1.051 91 I HN -0.096 nan 8.210 nan 0.000 0.409 92 L N 0.125 121.288 121.223 -0.100 0.000 2.027 92 L HA -0.245 4.095 4.340 0.000 0.000 0.206 92 L C 2.249 179.105 176.870 -0.023 0.000 1.074 92 L CA 1.441 56.250 54.840 -0.052 0.000 0.745 92 L CB -0.545 41.484 42.059 -0.051 0.000 0.898 92 L HN 0.245 nan 8.230 nan 0.000 0.433 93 D N -0.218 120.163 120.400 -0.031 0.000 2.149 93 D HA -0.178 4.462 4.640 0.000 0.000 0.198 93 D C 2.110 178.414 176.300 0.006 0.000 0.990 93 D CA 1.371 55.362 54.000 -0.015 0.000 0.839 93 D CB 0.157 40.942 40.800 -0.025 0.000 0.948 93 D HN 0.288 nan 8.370 nan 0.000 0.460 94 A N -0.108 122.711 122.820 -0.000 0.000 1.898 94 A HA -0.111 4.209 4.320 0.000 0.000 0.216 94 A C 2.318 179.955 177.584 0.088 0.000 1.181 94 A CA 1.255 53.308 52.037 0.027 0.000 0.620 94 A CB -0.545 18.456 19.000 0.003 0.000 0.819 94 A HN 0.239 nan 8.150 nan 0.000 0.442 95 M N -1.207 118.446 119.600 0.089 0.000 2.108 95 M HA -0.173 4.307 4.480 0.000 0.000 0.261 95 M C 2.195 178.648 176.300 0.254 0.000 1.066 95 M CA 1.542 56.944 55.300 0.170 0.000 1.107 95 M CB -0.435 32.217 32.600 0.087 0.000 1.356 95 M HN 0.472 nan 8.290 nan 0.000 0.406 96 L N 0.370 121.677 121.223 0.141 0.000 2.056 96 L HA -0.135 4.205 4.340 0.000 0.000 0.207 96 L C 2.628 179.549 176.870 0.086 0.000 1.078 96 L CA 2.162 57.066 54.840 0.108 0.000 0.749 96 L CB -0.689 41.399 42.059 0.047 0.000 0.901 96 L HN 0.337 nan 8.230 nan 0.000 0.433 97 S N -0.968 114.779 115.700 0.077 0.000 2.423 97 S HA -0.158 4.312 4.470 0.000 0.000 0.231 97 S C 1.936 176.584 174.600 0.081 0.000 1.014 97 S CA 0.725 58.956 58.200 0.053 0.000 0.965 97 S CB -0.662 62.559 63.200 0.035 0.000 0.785 97 S HN 0.519 nan 8.310 nan 0.000 0.495 98 R N 0.982 121.587 120.500 0.176 0.000 2.313 98 R HA 0.223 4.563 4.340 0.000 0.000 0.199 98 R C 1.568 177.971 176.300 0.173 0.000 0.958 98 R CA 0.496 56.746 56.100 0.250 0.000 1.047 98 R CB -0.217 30.348 30.300 0.442 0.000 0.955 98 R HN 0.639 nan 8.270 nan 0.000 0.481 99 G N 0.279 109.093 108.800 0.023 0.000 2.201 99 G HA2 -0.241 3.719 3.960 0.000 0.000 0.212 99 G HA3 -0.241 3.719 3.960 0.000 0.000 0.212 99 G C -0.044 174.598 174.900 -0.430 0.000 0.994 99 G CA -0.671 44.225 45.100 -0.340 0.000 0.644 99 G HN 0.187 nan 8.290 nan 0.000 0.508 100 F N 2.565 122.563 119.950 0.081 0.000 2.466 100 F HA 0.443 4.970 4.527 0.000 0.000 0.363 100 F C 1.844 177.658 175.800 0.023 0.000 1.109 100 F CA 0.880 58.942 58.000 0.104 0.000 1.161 100 F CB 1.352 40.450 39.000 0.163 0.000 1.117 100 F HN 0.090 nan 8.300 nan 0.000 0.539 101 T N -2.308 112.320 114.554 0.124 0.000 3.040 101 T HA 0.241 4.591 4.350 0.000 0.000 0.250 101 T C 0.472 175.232 174.700 0.100 0.000 1.058 101 T CA -0.119 62.018 62.100 0.061 0.000 0.988 101 T CB 0.158 69.015 68.868 -0.018 0.000 0.993 101 T HN 0.329 nan 8.240 nan 0.000 0.519 102 S N 0.760 116.568 115.700 0.181 0.000 2.536 102 S HA 0.712 5.182 4.470 0.000 0.000 0.271 102 S C -1.082 173.668 174.600 0.250 0.000 1.134 102 S CA -0.777 57.547 58.200 0.207 0.000 0.897 102 S CB 2.288 65.663 63.200 0.292 0.000 1.094 102 S HN 0.592 nan 8.310 nan 0.000 0.473 103 V N 0.657 120.702 119.914 0.219 0.000 2.841 103 V HA 0.697 4.817 4.120 0.000 0.000 0.310 103 V C -0.684 175.549 176.094 0.231 0.000 1.090 103 V CA -1.118 61.291 62.300 0.182 0.000 0.930 103 V CB 1.823 33.696 31.823 0.084 0.000 1.014 103 V HN 0.861 nan 8.190 nan 0.000 0.425 104 R N 2.680 123.277 120.500 0.161 0.000 2.215 104 R HA 0.293 4.633 4.340 0.000 0.000 0.337 104 R C -0.401 175.883 176.300 -0.027 0.000 1.010 104 R CA -0.357 55.814 56.100 0.119 0.000 0.871 104 R CB 0.501 30.826 30.300 0.042 0.000 1.134 104 R HN 1.021 nan 8.270 nan 0.000 0.477 105 D N 3.031 123.413 120.400 -0.030 0.000 2.351 105 D HA 0.051 4.691 4.640 0.000 0.000 0.251 105 D C -0.320 175.844 176.300 -0.227 0.000 1.137 105 D CA 0.120 54.041 54.000 -0.132 0.000 0.879 105 D CB 1.418 42.184 40.800 -0.056 0.000 1.181 105 D HN 0.659 nan 8.370 nan 0.000 0.448 106 A N 3.035 125.571 122.820 -0.473 0.000 2.684 106 A HA 0.546 4.866 4.320 0.000 0.000 0.288 106 A C 0.616 178.117 177.584 -0.138 0.000 1.337 106 A CA 0.281 52.013 52.037 -0.507 0.000 0.946 106 A CB -0.290 18.000 19.000 -1.185 0.000 1.093 106 A HN 0.754 nan 8.150 nan 0.000 0.543 107 G N -2.293 106.495 108.800 -0.020 0.000 3.101 107 G HA2 0.489 4.449 3.960 0.000 0.000 0.672 107 G HA3 0.489 4.449 3.960 0.000 0.000 0.672 107 G C 0.548 175.540 174.900 0.154 0.000 1.331 107 G CA 0.242 45.401 45.100 0.098 0.000 0.925 107 G HN 2.032 nan 8.290 nan 0.000 0.596 108 G N 0.525 109.365 108.800 0.066 0.000 2.981 108 G HA2 0.395 4.355 3.960 0.000 0.000 0.198 108 G HA3 0.395 4.355 3.960 0.000 0.000 0.198 108 G C 1.133 176.049 174.900 0.028 0.000 1.806 108 G CA 1.287 46.421 45.100 0.057 0.000 1.374 108 G HN 2.594 nan 8.290 nan 0.000 0.555 109 A N 1.716 124.551 122.820 0.025 0.000 2.462 109 A HA 0.561 4.881 4.320 0.000 0.000 0.243 109 A C 0.388 177.981 177.584 0.016 0.000 1.076 109 A CA 1.218 53.261 52.037 0.011 0.000 0.773 109 A CB 0.076 19.075 19.000 -0.002 0.000 1.010 109 A HN 1.089 nan 8.150 nan 0.000 0.493 110 D N 0.383 120.802 120.400 0.031 0.000 2.650 110 D HA 0.174 4.814 4.640 0.000 0.000 0.255 110 D C 0.670 177.042 176.300 0.120 0.000 1.135 110 D CA -0.793 53.253 54.000 0.076 0.000 1.099 110 D CB -0.236 40.619 40.800 0.091 0.000 1.273 110 D HN 0.547 nan 8.370 nan 0.000 0.628 111 W N 0.568 121.848 121.300 -0.033 0.000 2.374 111 W HA -0.149 4.511 4.660 0.000 0.000 0.288 111 W C 1.942 178.441 176.519 -0.034 0.000 1.218 111 W CA 2.639 59.963 57.345 -0.035 0.000 1.245 111 W CB -0.153 29.291 29.460 -0.027 0.000 1.126 111 W HN 0.385 nan 8.180 nan 0.000 0.545 112 S N 0.385 116.165 115.700 0.133 0.000 2.383 112 S HA -0.218 4.252 4.470 0.000 0.000 0.227 112 S C 1.939 176.429 174.600 -0.183 0.000 1.026 112 S CA 1.252 59.402 58.200 -0.084 0.000 0.981 112 S CB -0.922 62.342 63.200 0.107 0.000 0.818 112 S HN 0.408 nan 8.310 nan 0.000 0.472 113 L N 0.841 122.002 121.223 -0.105 0.000 2.027 113 L HA -0.030 4.310 4.340 0.000 0.000 0.206 113 L C 2.752 179.516 176.870 -0.176 0.000 1.074 113 L CA 1.666 56.438 54.840 -0.112 0.000 0.745 113 L CB -0.424 41.598 42.059 -0.062 0.000 0.898 113 L HN 0.411 nan 8.230 nan 0.000 0.433 114 M N -0.779 118.697 119.600 -0.207 0.000 2.089 114 M HA -0.329 4.151 4.480 0.000 0.000 0.257 114 M C 2.251 178.342 176.300 -0.350 0.000 1.071 114 M CA 1.915 57.053 55.300 -0.270 0.000 1.096 114 M CB -0.149 32.283 32.600 -0.281 0.000 1.330 114 M HN 0.295 nan 8.290 nan 0.000 0.403 115 Q N -0.126 119.366 119.800 -0.513 0.000 2.079 115 Q HA -0.087 4.253 4.340 0.000 0.000 0.200 115 Q C 2.190 178.006 176.000 -0.307 0.000 0.974 115 Q CA 1.823 57.314 55.803 -0.520 0.000 0.840 115 Q CB -0.724 27.535 28.738 -0.797 0.000 0.898 115 Q HN 0.721 nan 8.270 nan 0.000 0.430 116 A N 0.906 123.577 122.820 -0.248 0.000 1.917 116 A HA -0.180 4.140 4.320 0.000 0.000 0.219 116 A C 2.305 179.807 177.584 -0.136 0.000 1.182 116 A CA 2.289 54.230 52.037 -0.160 0.000 0.633 116 A CB -0.936 17.991 19.000 -0.123 0.000 0.819 116 A HN 0.319 nan 8.150 nan 0.000 0.448 117 V N -2.483 117.344 119.914 -0.145 0.000 2.453 117 V HA -0.145 3.975 4.120 0.000 0.000 0.247 117 V C 1.896 177.917 176.094 -0.123 0.000 1.048 117 V CA 2.277 64.506 62.300 -0.119 0.000 1.049 117 V CB -0.903 30.854 31.823 -0.109 0.000 0.672 117 V HN 0.575 nan 8.190 nan 0.000 0.457 118 E N 1.157 121.263 120.200 -0.157 0.000 2.150 118 E HA -0.134 4.216 4.350 0.000 0.000 0.193 118 E C 2.233 178.765 176.600 -0.114 0.000 0.985 118 E CA 1.784 58.099 56.400 -0.141 0.000 0.814 118 E CB -0.184 29.413 29.700 -0.172 0.000 0.752 118 E HN 0.903 nan 8.360 nan 0.000 0.466 119 T N -3.389 111.092 114.554 -0.122 0.000 3.129 119 T HA 0.199 4.549 4.350 0.000 0.000 0.251 119 T C 1.447 176.103 174.700 -0.074 0.000 1.117 119 T CA 0.397 62.441 62.100 -0.093 0.000 1.034 119 T CB 0.557 69.366 68.868 -0.099 0.000 0.968 119 T HN 0.233 nan 8.240 nan 0.000 0.526 120 G N 0.966 109.720 108.800 -0.077 0.000 2.143 120 G HA2 -0.231 3.729 3.960 0.000 0.000 0.248 120 G HA3 -0.231 3.729 3.960 0.000 0.000 0.248 120 G C 0.506 175.373 174.900 -0.055 0.000 0.991 120 G CA 0.292 45.356 45.100 -0.060 0.000 0.689 120 G HN 0.476 nan 8.290 nan 0.000 0.522 121 L N -0.697 120.488 121.223 -0.064 0.000 2.201 121 L HA 0.364 4.704 4.340 0.000 0.000 0.212 121 L C 1.242 178.081 176.870 -0.052 0.000 1.105 121 L CA 1.368 56.175 54.840 -0.056 0.000 0.775 121 L CB 0.227 42.248 42.059 -0.064 0.000 0.913 121 L HN 0.260 nan 8.230 nan 0.000 0.440 122 V N -1.686 118.193 119.914 -0.059 0.000 2.808 122 V HA 0.293 4.413 4.120 0.000 0.000 0.308 122 V C -0.365 175.699 176.094 -0.052 0.000 1.099 122 V CA -0.791 61.477 62.300 -0.054 0.000 0.920 122 V CB 2.121 33.908 31.823 -0.061 0.000 1.014 122 V HN -0.046 nan 8.190 nan 0.000 0.425 123 S N 2.575 118.250 115.700 -0.042 0.000 2.499 123 S HA 0.824 5.295 4.470 0.000 0.000 0.275 123 S C 0.220 174.800 174.600 -0.033 0.000 1.257 123 S CA 0.591 58.771 58.200 -0.035 0.000 1.050 123 S CB 0.569 63.753 63.200 -0.026 0.000 0.937 123 S HN 1.421 nan 8.310 nan 0.000 0.490 124 G N 4.632 113.414 108.800 -0.029 0.000 2.315 124 G HA2 0.374 4.334 3.960 0.000 0.000 0.294 124 G HA3 0.374 4.334 3.960 0.000 0.000 0.294 124 G C -3.576 171.316 174.900 -0.012 0.000 1.300 124 G CA -0.865 44.225 45.100 -0.016 0.000 0.843 124 G HN 0.483 nan 8.290 nan 0.000 0.527 125 P HA 0.303 nan 4.420 nan 0.000 0.270 125 P C -0.047 177.234 177.300 -0.032 0.000 1.223 125 P CA -0.410 62.704 63.100 0.023 0.000 0.785 125 P CB 0.472 32.216 31.700 0.074 0.000 0.923 126 R N 2.138 122.607 120.500 -0.051 0.000 2.570 126 R HA 0.189 4.529 4.340 0.000 0.000 0.277 126 R C -0.564 175.626 176.300 -0.184 0.000 1.039 126 R CA 0.134 56.140 56.100 -0.156 0.000 1.065 126 R CB -0.365 29.818 30.300 -0.195 0.000 0.964 126 R HN 0.400 nan 8.270 nan 0.000 0.428 127 I N 4.819 125.229 120.570 -0.267 0.000 2.377 127 I HA 0.233 4.403 4.170 0.000 0.000 0.293 127 I C -0.745 175.167 176.117 -0.340 0.000 0.987 127 I CA -0.644 60.542 61.300 -0.190 0.000 1.185 127 I CB 1.447 39.378 38.000 -0.116 0.000 1.341 127 I HN 0.525 nan 8.210 nan 0.000 0.455 128 F N 7.300 127.243 119.950 -0.012 0.000 2.293 128 F HA 0.354 4.881 4.527 0.000 0.000 0.370 128 F C -2.103 173.681 175.800 -0.027 0.000 1.090 128 F CA -2.240 55.756 58.000 -0.007 0.000 1.133 128 F CB 0.750 39.754 39.000 0.007 0.000 1.360 128 F HN 0.190 nan 8.300 nan 0.000 0.489 129 P HA 0.155 nan 4.420 nan 0.000 0.285 129 P C 0.030 177.345 177.300 0.025 0.000 1.259 129 P CA -0.284 62.842 63.100 0.044 0.000 0.794 129 P CB 1.827 33.552 31.700 0.042 0.000 0.940 130 S N 1.565 117.256 115.700 -0.016 0.000 2.558 130 S HA 0.194 4.664 4.470 0.000 0.000 0.217 130 S C 1.424 175.998 174.600 -0.044 0.000 0.975 130 S CA 0.568 58.738 58.200 -0.049 0.000 0.912 130 S CB -0.706 62.452 63.200 -0.070 0.000 0.776 130 S HN 0.880 nan 8.310 nan 0.000 0.526 131 G N 2.365 111.149 108.800 -0.026 0.000 2.574 131 G HA2 -0.300 3.660 3.960 0.000 0.000 0.301 131 G HA3 -0.300 3.660 3.960 0.000 0.000 0.301 131 G C -0.408 174.454 174.900 -0.064 0.000 1.166 131 G CA 0.156 45.228 45.100 -0.046 0.000 0.971 131 G HN 0.452 nan 8.290 nan 0.000 0.542 132 K N 1.201 121.537 120.400 -0.108 0.000 2.292 132 K HA 0.675 4.995 4.320 0.000 0.000 0.257 132 K C 0.253 176.823 176.600 -0.051 0.000 0.940 132 K CA -0.121 56.106 56.287 -0.100 0.000 0.811 132 K CB 2.143 34.509 32.500 -0.222 0.000 1.120 132 K HN 1.007 nan 8.250 nan 0.000 0.428 133 A N 4.077 126.900 122.820 0.005 0.000 2.546 133 A HA 0.078 4.398 4.320 0.000 0.000 0.243 133 A C 0.206 177.816 177.584 0.044 0.000 1.063 133 A CA -0.024 52.037 52.037 0.041 0.000 0.757 133 A CB -0.197 18.853 19.000 0.083 0.000 0.991 133 A HN 0.671 nan 8.150 nan 0.000 0.503 134 L N 2.587 123.855 121.223 0.075 0.000 2.331 134 L HA 0.454 4.794 4.340 0.000 0.000 0.278 134 L C 0.720 177.738 176.870 0.247 0.000 1.106 134 L CA -0.010 54.914 54.840 0.141 0.000 0.824 134 L CB 1.121 43.246 42.059 0.111 0.000 1.142 134 L HN 0.751 nan 8.230 nan 0.000 0.443 135 S N 2.426 118.244 115.700 0.198 0.000 2.541 135 S HA 0.401 4.871 4.470 0.000 0.000 0.280 135 S C -0.622 173.926 174.600 -0.086 0.000 1.112 135 S CA -0.888 57.327 58.200 0.026 0.000 0.925 135 S CB 1.851 65.007 63.200 -0.075 0.000 1.067 135 S HN 0.659 nan 8.310 nan 0.000 0.479 136 Q N 2.069 121.548 119.800 -0.536 0.000 2.500 136 Q HA 0.416 4.756 4.340 0.000 0.000 0.215 136 Q C -0.347 175.541 176.000 -0.186 0.000 1.062 136 Q CA -0.417 55.133 55.803 -0.421 0.000 0.996 136 Q CB -0.235 28.103 28.738 -0.667 0.000 1.239 136 Q HN 0.503 nan 8.270 nan 0.000 0.578 137 T N 0.634 115.126 114.554 -0.104 0.000 2.888 137 T HA 0.350 4.700 4.350 0.000 0.000 0.301 137 T C 0.932 175.579 174.700 -0.088 0.000 1.001 137 T CA 0.805 62.864 62.100 -0.069 0.000 1.147 137 T CB 0.153 69.003 68.868 -0.030 0.000 0.931 137 T HN 0.952 nan 8.240 nan 0.000 0.541 138 G N 2.626 111.373 108.800 -0.087 0.000 2.155 138 G HA2 -0.178 3.783 3.960 0.000 0.000 0.257 138 G HA3 -0.178 3.783 3.960 0.000 0.000 0.257 138 G C 0.527 175.364 174.900 -0.105 0.000 0.983 138 G CA 0.035 45.084 45.100 -0.084 0.000 0.676 138 G HN 1.111 nan 8.290 nan 0.000 0.528 139 G N -1.849 106.863 108.800 -0.146 0.000 2.525 139 G HA2 0.452 4.412 3.960 0.000 0.000 0.287 139 G HA3 0.452 4.412 3.960 0.000 0.000 0.287 139 G C 0.573 175.383 174.900 -0.149 0.000 1.350 139 G CA 0.418 45.432 45.100 -0.143 0.000 1.039 139 G HN 0.512 nan 8.290 nan 0.000 0.513 140 H N -1.078 117.864 119.070 -0.214 0.000 2.545 140 H HA 0.034 4.590 4.556 0.000 0.000 0.282 140 H C 2.156 177.226 175.328 -0.430 0.000 1.020 140 H CA 1.639 57.533 56.048 -0.257 0.000 1.243 140 H CB 0.016 29.634 29.762 -0.241 0.000 1.377 140 H HN 0.406 nan 8.280 nan 0.000 0.581 141 G N -1.298 107.215 108.800 -0.478 0.000 3.159 141 G HA2 -0.031 3.929 3.960 0.000 0.000 0.232 141 G HA3 -0.031 3.929 3.960 0.000 0.000 0.232 141 G C -0.199 174.262 174.900 -0.731 0.000 1.116 141 G CA -0.122 44.607 45.100 -0.618 0.000 0.767 141 G HN 0.269 nan 8.290 nan 0.000 0.547 142 D N 0.432 120.479 120.400 -0.588 0.000 2.339 142 D HA 0.254 4.894 4.640 0.000 0.000 0.241 142 D C -0.270 175.740 176.300 -0.484 0.000 1.183 142 D CA -0.676 53.089 54.000 -0.391 0.000 0.859 142 D CB 0.619 41.297 40.800 -0.202 0.000 1.067 142 D HN 0.045 nan 8.370 nan 0.000 0.484 143 F N 2.309 122.236 119.950 -0.037 0.000 2.639 143 F HA 0.259 4.786 4.527 -0.000 0.000 0.300 143 F C 1.213 177.003 175.800 -0.018 0.000 1.109 143 F CA -0.438 57.540 58.000 -0.036 0.000 1.335 143 F CB 0.123 39.097 39.000 -0.043 0.000 1.014 143 F HN -0.024 nan 8.300 nan 0.000 0.537 144 R N 2.345 122.895 120.500 0.083 0.000 2.438 144 R HA 0.215 4.555 4.340 0.000 0.000 0.287 144 R C -2.190 174.137 176.300 0.046 0.000 1.077 144 R CA -1.575 54.562 56.100 0.061 0.000 1.034 144 R CB -0.009 30.311 30.300 0.033 0.000 0.993 144 R HN -0.054 nan 8.270 nan 0.000 0.459 145 P HA 0.026 nan 4.420 nan 0.000 0.272 145 P C -0.341 176.972 177.300 0.022 0.000 1.223 145 P CA -0.344 62.778 63.100 0.036 0.000 0.784 145 P CB 0.700 32.420 31.700 0.034 0.000 0.923 151 E N -1.300 118.906 120.200 0.009 0.000 2.053 151 E HA 0.004 4.354 4.350 0.000 0.000 0.277 151 E C -2.169 174.438 176.600 0.011 0.000 1.060 151 E CA 0.720 57.126 56.400 0.010 0.000 2.044 151 E CB -1.262 28.442 29.700 0.007 0.000 3.016 151 E HN 0.448 nan 8.360 nan 0.000 1.095 152 P HA -0.308 nan 4.420 nan 0.000 0.241 152 P C 1.311 178.616 177.300 0.008 0.000 0.841 152 P CA 3.097 66.200 63.100 0.006 0.000 1.115 152 P CB -0.167 31.535 31.700 0.004 0.000 0.725 153 C N -6.080 113.224 119.300 0.006 0.000 3.979 153 C HA 0.190 4.650 4.460 0.000 0.000 0.191 153 C C -0.520 174.474 174.990 0.005 0.000 2.277 153 C CA 0.614 59.639 59.018 0.012 0.000 1.411 153 C CB -0.850 26.903 27.740 0.022 0.000 1.480 153 C HN 0.865 nan 8.230 nan 0.000 0.571 154 S N 0.214 115.912 115.700 -0.003 0.000 2.626 154 S HA 0.584 5.054 4.470 0.000 0.000 0.275 154 S C -0.284 174.279 174.600 -0.062 0.000 1.175 154 S CA 0.290 58.480 58.200 -0.017 0.000 0.982 154 S CB 1.079 64.288 63.200 0.015 0.000 1.093 154 S HN 1.224 nan 8.310 nan 0.000 0.472 155 C N 2.988 122.234 119.300 -0.091 0.000 2.590 155 C HA 0.477 4.938 4.460 0.000 0.000 0.272 155 C C 0.879 175.700 174.990 -0.282 0.000 1.338 155 C CA 0.142 59.073 59.018 -0.146 0.000 1.746 155 C CB -1.046 26.632 27.740 -0.105 0.000 2.020 155 C HN 0.876 nan 8.230 nan 0.000 0.531 156 C N -0.574 118.564 119.300 -0.269 0.000 2.783 156 C HA 0.505 4.965 4.460 0.000 0.000 0.312 156 C C -0.778 174.083 174.990 -0.216 0.000 1.182 156 C CA -0.946 57.881 59.018 -0.319 0.000 1.432 156 C CB 0.571 28.226 27.740 -0.142 0.000 1.933 156 C HN 0.463 nan 8.230 nan 0.000 0.473 157 F N 4.389 124.349 119.950 0.017 0.000 2.434 157 F HA 0.323 4.850 4.527 0.000 0.000 0.358 157 F C 1.209 177.020 175.800 0.020 0.000 1.136 157 F CA -0.454 57.559 58.000 0.021 0.000 1.157 157 F CB 0.489 39.503 39.000 0.024 0.000 1.167 157 F HN 0.338 nan 8.300 nan 0.000 0.539 158 R N 1.474 122.104 120.500 0.216 0.000 2.489 158 R HA 0.035 4.375 4.340 0.000 0.000 0.287 158 R C 1.223 177.589 176.300 0.111 0.000 1.053 158 R CA 0.136 56.309 56.100 0.122 0.000 1.036 158 R CB 0.157 30.511 30.300 0.090 0.000 0.966 158 R HN 0.685 nan 8.270 nan 0.000 0.432 159 T N -1.359 113.240 114.554 0.076 0.000 3.113 159 T HA -0.026 4.324 4.350 0.000 0.000 0.263 159 T C 1.463 176.183 174.700 0.034 0.000 1.143 159 T CA 0.839 62.972 62.100 0.056 0.000 1.090 159 T CB 0.169 69.063 68.868 0.044 0.000 0.922 159 T HN 0.663 nan 8.240 nan 0.000 0.521 160 G N 0.390 109.206 108.800 0.026 0.000 3.233 160 G HA2 0.544 4.504 3.960 0.000 0.000 0.234 160 G HA3 0.544 4.504 3.960 0.000 0.000 0.234 160 G C 0.389 175.287 174.900 -0.003 0.000 1.137 160 G CA -0.091 45.011 45.100 0.003 0.000 0.763 160 G HN 0.743 nan 8.290 nan 0.000 0.549 161 A N 0.859 123.696 122.820 0.029 0.000 2.309 161 A HA 0.569 4.889 4.320 0.000 0.000 0.290 161 A C 1.218 178.830 177.584 0.047 0.000 1.206 161 A CA -0.509 51.556 52.037 0.046 0.000 0.850 161 A CB 0.481 19.542 19.000 0.102 0.000 1.118 161 A HN 0.053 nan 8.150 nan 0.000 0.523 162 I N 1.395 121.999 120.570 0.057 0.000 2.315 162 I HA -0.066 4.104 4.170 0.000 0.000 0.248 162 I C 1.460 177.626 176.117 0.081 0.000 1.117 162 I CA 1.681 63.025 61.300 0.073 0.000 1.404 162 I CB -1.420 36.600 38.000 0.033 0.000 1.071 162 I HN 0.668 nan 8.210 nan 0.000 0.419 163 A N 0.915 123.797 122.820 0.104 0.000 2.479 163 A HA 0.782 5.102 4.320 0.000 0.000 0.296 163 A C -0.090 177.525 177.584 0.052 0.000 1.121 163 A CA -0.706 51.367 52.037 0.060 0.000 0.743 163 A CB 1.689 20.710 19.000 0.035 0.000 1.323 163 A HN 0.257 nan 8.150 nan 0.000 0.415 164 R N -0.264 120.254 120.500 0.029 0.000 2.854 164 R HA 0.766 5.106 4.340 0.000 0.000 0.271 164 R C -1.749 174.602 176.300 0.084 0.000 0.994 164 R CA -0.753 55.398 56.100 0.085 0.000 0.945 164 R CB 1.563 31.901 30.300 0.064 0.000 1.194 164 R HN 0.292 nan 8.270 nan 0.000 0.476 165 V N 2.500 122.476 119.914 0.102 0.000 2.350 165 V HA 0.376 4.496 4.120 0.000 0.000 0.276 165 V C -0.051 176.109 176.094 0.111 0.000 1.028 165 V CA -0.516 61.830 62.300 0.076 0.000 0.860 165 V CB 1.013 32.859 31.823 0.038 0.000 0.990 165 V HN 0.631 nan 8.190 nan 0.000 0.453 166 V N 1.561 121.562 119.914 0.146 0.000 2.789 166 V HA 0.817 4.938 4.120 0.000 0.000 0.311 166 V C -1.182 175.041 176.094 0.215 0.000 1.073 166 V CA -0.876 61.515 62.300 0.152 0.000 0.921 166 V CB 2.318 34.220 31.823 0.132 0.000 1.009 166 V HN 0.742 nan 8.190 nan 0.000 0.426 167 D N 1.412 121.906 120.400 0.157 0.000 2.738 167 D HA 0.807 5.447 4.640 0.000 0.000 0.237 167 D C 0.202 176.573 176.300 0.119 0.000 1.123 167 D CA 0.706 54.812 54.000 0.178 0.000 0.856 167 D CB 1.807 42.672 40.800 0.109 0.000 1.552 167 D HN 1.476 nan 8.370 nan 0.000 0.480 168 G N -0.691 108.184 108.800 0.124 0.000 2.707 168 G HA2 -0.170 3.790 3.960 0.000 0.000 0.686 168 G HA3 -0.170 3.790 3.960 0.000 0.000 0.686 168 G C 0.569 175.485 174.900 0.027 0.000 1.315 168 G CA -0.444 44.696 45.100 0.067 0.000 0.832 168 G HN 0.427 nan 8.290 nan 0.000 0.573 169 V N 0.616 120.538 119.914 0.013 0.000 2.283 169 V HA -0.080 4.040 4.120 0.000 0.000 0.243 169 V C 2.692 178.780 176.094 -0.011 0.000 1.039 169 V CA 2.682 64.976 62.300 -0.009 0.000 1.016 169 V CB -0.497 31.325 31.823 -0.003 0.000 0.650 169 V HN 0.743 nan 8.190 nan 0.000 0.449 170 E N 0.714 120.915 120.200 0.002 0.000 2.106 170 E HA -0.123 4.227 4.350 0.000 0.000 0.192 170 E C 2.305 178.908 176.600 0.005 0.000 0.984 170 E CA 1.348 57.749 56.400 0.002 0.000 0.806 170 E CB -0.779 28.925 29.700 0.007 0.000 0.750 170 E HN 0.599 nan 8.360 nan 0.000 0.458 171 G N 1.647 110.455 108.800 0.014 0.000 2.459 171 G HA2 -0.246 3.714 3.960 0.000 0.000 0.217 171 G HA3 -0.246 3.714 3.960 0.000 0.000 0.217 171 G C 1.828 176.736 174.900 0.013 0.000 1.183 171 G CA 1.930 47.046 45.100 0.026 0.000 0.776 171 G HN 0.319 nan 8.290 nan 0.000 0.552 172 V N -1.378 118.525 119.914 -0.017 0.000 2.515 172 V HA 0.037 4.157 4.120 0.000 0.000 0.250 172 V C 2.507 178.566 176.094 -0.057 0.000 1.058 172 V CA 1.946 64.206 62.300 -0.066 0.000 1.064 172 V CB -0.610 31.101 31.823 -0.187 0.000 0.675 172 V HN 0.276 nan 8.190 nan 0.000 0.461 173 R N -0.380 120.095 120.500 -0.043 0.000 2.080 173 R HA -0.132 4.208 4.340 0.000 0.000 0.236 173 R C 2.350 178.638 176.300 -0.020 0.000 1.137 173 R CA 2.169 58.249 56.100 -0.032 0.000 0.943 173 R CB -0.632 29.655 30.300 -0.022 0.000 0.846 173 R HN 0.537 nan 8.270 nan 0.000 0.431 174 L N 0.699 121.918 121.223 -0.007 0.000 2.042 174 L HA -0.121 4.219 4.340 0.000 0.000 0.210 174 L C 2.226 179.101 176.870 0.008 0.000 1.076 174 L CA 2.066 56.909 54.840 0.004 0.000 0.749 174 L CB -0.805 41.263 42.059 0.016 0.000 0.893 174 L HN 0.185 nan 8.230 nan 0.000 0.432 175 A N -1.295 121.531 122.820 0.009 0.000 1.908 175 A HA -0.165 4.155 4.320 0.000 0.000 0.218 175 A C 2.289 179.863 177.584 -0.016 0.000 1.181 175 A CA 2.083 54.127 52.037 0.012 0.000 0.627 175 A CB -1.077 17.933 19.000 0.017 0.000 0.818 175 A HN 0.305 nan 8.150 nan 0.000 0.445 176 V N 0.119 120.014 119.914 -0.032 0.000 2.261 176 V HA -0.276 3.844 4.120 0.000 0.000 0.246 176 V C 2.628 178.702 176.094 -0.034 0.000 1.047 176 V CA 2.241 64.516 62.300 -0.042 0.000 1.015 176 V CB -0.844 30.949 31.823 -0.050 0.000 0.642 176 V HN 0.549 nan 8.190 nan 0.000 0.446 177 R N -0.073 120.412 120.500 -0.025 0.000 2.105 177 R HA -0.215 4.125 4.340 0.000 0.000 0.239 177 R C 2.252 178.539 176.300 -0.022 0.000 1.135 177 R CA 1.848 57.935 56.100 -0.022 0.000 0.967 177 R CB -0.383 29.908 30.300 -0.016 0.000 0.861 177 R HN 0.640 nan 8.270 nan 0.000 0.442 178 E N 0.484 120.677 120.200 -0.011 0.000 2.031 178 E HA -0.180 4.170 4.350 0.000 0.000 0.193 178 E C 1.995 178.579 176.600 -0.028 0.000 0.994 178 E CA 0.934 57.331 56.400 -0.004 0.000 0.800 178 E CB 0.018 29.738 29.700 0.034 0.000 0.752 178 E HN 0.226 nan 8.360 nan 0.000 0.447 179 E N 0.443 120.618 120.200 -0.042 0.000 2.160 179 E HA -0.168 4.182 4.350 0.000 0.000 0.195 179 E C 2.063 178.630 176.600 -0.054 0.000 0.991 179 E CA 0.843 57.207 56.400 -0.061 0.000 0.810 179 E CB -0.111 29.545 29.700 -0.073 0.000 0.742 179 E HN 0.334 nan 8.360 nan 0.000 0.466 180 I N 0.639 121.179 120.570 -0.050 0.000 2.400 180 I HA -0.189 3.981 4.170 0.000 0.000 0.248 180 I C 2.643 178.719 176.117 -0.068 0.000 1.109 180 I CA 0.579 61.850 61.300 -0.049 0.000 1.425 180 I CB -0.083 37.893 38.000 -0.040 0.000 1.094 180 I HN 0.013 nan 8.210 nan 0.000 0.425 181 Q N 1.451 121.210 119.800 -0.069 0.000 2.112 181 Q HA -0.267 4.073 4.340 0.000 0.000 0.206 181 Q C 1.934 177.842 176.000 -0.153 0.000 0.987 181 Q CA 1.762 57.507 55.803 -0.096 0.000 0.858 181 Q CB -0.064 28.632 28.738 -0.070 0.000 0.905 181 Q HN 0.460 nan 8.270 nan 0.000 0.420 182 K N -1.313 119.014 120.400 -0.122 0.000 2.504 182 K HA 0.006 4.326 4.320 0.000 0.000 0.195 182 K C 0.777 177.272 176.600 -0.175 0.000 1.036 182 K CA 0.561 56.760 56.287 -0.148 0.000 0.984 182 K CB 0.131 32.593 32.500 -0.062 0.000 0.788 182 K HN 0.429 nan 8.250 nan 0.000 0.488 183 G N 1.083 109.804 108.800 -0.131 0.000 2.164 183 G HA2 -0.224 3.736 3.960 0.000 0.000 0.212 183 G HA3 -0.224 3.736 3.960 0.000 0.000 0.212 183 G C 0.099 175.047 174.900 0.080 0.000 1.031 183 G CA -0.158 44.901 45.100 -0.069 0.000 0.730 183 G HN 0.414 nan 8.290 nan 0.000 0.501 184 A N -0.098 122.739 122.820 0.028 0.000 2.561 184 A HA 0.560 4.880 4.320 0.000 0.000 0.234 184 A C 1.742 179.350 177.584 0.040 0.000 1.055 184 A CA 1.659 53.712 52.037 0.026 0.000 0.756 184 A CB 0.207 19.191 19.000 -0.027 0.000 0.986 184 A HN 1.643 nan 8.150 nan 0.000 0.505 185 T N -1.106 113.485 114.554 0.061 0.000 3.044 185 T HA 0.204 4.554 4.350 0.000 0.000 0.255 185 T C 0.607 175.281 174.700 -0.044 0.000 1.073 185 T CA 0.923 63.073 62.100 0.084 0.000 1.125 185 T CB -0.081 68.933 68.868 0.244 0.000 0.908 185 T HN 0.976 nan 8.240 nan 0.000 0.480 186 Q N 0.133 119.844 119.800 -0.149 0.000 2.707 186 Q HA 0.483 4.823 4.340 0.000 0.000 0.307 186 Q C -2.023 173.810 176.000 -0.278 0.000 0.934 186 Q CA -1.115 54.450 55.803 -0.397 0.000 0.753 186 Q CB 1.048 29.250 28.738 -0.893 0.000 1.478 186 Q HN 0.179 nan 8.270 nan 0.000 0.458 187 I N 1.341 121.721 120.570 -0.317 0.000 2.406 187 I HA 0.420 4.590 4.170 0.000 0.000 0.290 187 I C -0.340 175.704 176.117 -0.122 0.000 0.999 187 I CA -0.568 60.630 61.300 -0.169 0.000 1.124 187 I CB 1.529 39.451 38.000 -0.130 0.000 1.289 187 I HN 0.704 nan 8.210 nan 0.000 0.441 188 K N 7.841 128.203 120.400 -0.063 0.000 2.185 188 K HA 0.734 5.054 4.320 0.000 0.000 0.269 188 K C -0.833 175.797 176.600 0.050 0.000 0.987 188 K CA -0.419 55.869 56.287 0.002 0.000 0.865 188 K CB 1.391 33.896 32.500 0.009 0.000 1.090 188 K HN 0.648 nan 8.250 nan 0.000 0.450 189 I N 0.038 120.669 120.570 0.102 0.000 2.892 189 I HA 0.517 4.687 4.170 0.000 0.000 0.306 189 I C -0.932 175.324 176.117 0.231 0.000 1.078 189 I CA -1.129 60.275 61.300 0.173 0.000 1.032 189 I CB 2.094 40.187 38.000 0.154 0.000 1.229 189 I HN 0.370 nan 8.210 nan 0.000 0.435 190 M N 4.075 123.831 119.600 0.261 0.000 2.080 190 M HA 0.422 4.902 4.480 0.000 0.000 0.350 190 M C 0.313 176.754 176.300 0.235 0.000 1.173 190 M CA -0.325 55.114 55.300 0.232 0.000 1.052 190 M CB 0.885 33.556 32.600 0.117 0.000 1.577 190 M HN 0.918 nan 8.290 nan 0.000 0.455 191 A N 2.132 125.097 122.820 0.243 0.000 2.470 191 A HA 0.440 4.760 4.320 0.000 0.000 0.251 191 A C 0.632 178.286 177.584 0.117 0.000 1.245 191 A CA 0.036 52.181 52.037 0.180 0.000 0.932 191 A CB 0.434 19.523 19.000 0.149 0.000 1.037 191 A HN 0.738 nan 8.150 nan 0.000 0.522 192 S N -1.999 113.786 115.700 0.142 0.000 2.611 192 S HA 0.546 5.016 4.470 0.000 0.000 0.268 192 S C 0.303 174.988 174.600 0.141 0.000 1.156 192 S CA 0.065 58.326 58.200 0.100 0.000 0.817 192 S CB 0.443 63.671 63.200 0.046 0.000 1.122 192 S HN 1.061 nan 8.310 nan 0.000 0.466 193 G N 0.366 109.233 108.800 0.113 0.000 2.732 193 G HA2 0.486 4.446 3.960 0.000 0.000 0.244 193 G HA3 0.486 4.446 3.960 0.000 0.000 0.244 193 G C 0.550 175.563 174.900 0.189 0.000 1.226 193 G CA 0.317 45.491 45.100 0.123 0.000 0.860 193 G HN 1.189 nan 8.290 nan 0.000 0.583 194 G N -2.120 106.755 108.800 0.124 0.000 3.137 194 G HA2 0.454 4.414 3.960 0.000 0.000 0.196 194 G HA3 0.454 4.414 3.960 0.000 0.000 0.196 194 G C 0.100 175.119 174.900 0.197 0.000 1.135 194 G CA 0.522 45.684 45.100 0.103 0.000 0.803 194 G HN 0.786 nan 8.290 nan 0.000 0.619 195 V N 0.046 120.160 119.914 0.333 0.000 3.137 195 V HA 0.319 4.439 4.120 0.000 0.000 0.236 195 V C 2.457 178.703 176.094 0.254 0.000 1.260 195 V CA 1.347 63.783 62.300 0.228 0.000 1.244 195 V CB 0.579 32.532 31.823 0.217 0.000 1.016 195 V HN 0.790 nan 8.190 nan 0.000 0.477 196 A N 0.853 123.885 122.820 0.354 0.000 2.278 196 A HA 0.311 4.631 4.320 0.000 0.000 0.212 196 A C 1.011 178.734 177.584 0.232 0.000 1.213 196 A CA 0.615 52.789 52.037 0.228 0.000 0.840 196 A CB -0.338 18.769 19.000 0.178 0.000 0.866 196 A HN 0.564 nan 8.150 nan 0.000 0.489 197 S N -0.734 115.073 115.700 0.178 0.000 2.537 197 S HA 0.555 5.025 4.470 0.000 0.000 0.301 197 S C -1.940 172.713 174.600 0.088 0.000 1.092 197 S CA -1.365 56.873 58.200 0.064 0.000 1.048 197 S CB 1.918 65.019 63.200 -0.165 0.000 1.053 197 S HN 0.090 nan 8.310 nan 0.000 0.501 198 P HA -0.059 nan 4.420 nan 0.000 0.216 198 P C 1.256 178.578 177.300 0.037 0.000 1.153 198 P CA 1.590 64.729 63.100 0.066 0.000 0.844 198 P CB -0.297 31.445 31.700 0.070 0.000 0.787 199 T N -4.064 110.498 114.554 0.014 0.000 2.990 199 T HA 0.052 4.402 4.350 0.000 0.000 0.250 199 T C 0.451 175.156 174.700 0.008 0.000 1.041 199 T CA -0.334 61.769 62.100 0.006 0.000 1.010 199 T CB -0.491 68.372 68.868 -0.008 0.000 1.003 199 T HN 0.116 nan 8.240 nan 0.000 0.499 200 D N 3.120 123.532 120.400 0.020 0.000 2.329 200 D HA 0.313 4.953 4.640 0.000 0.000 0.232 200 D C -2.875 173.448 176.300 0.039 0.000 1.088 200 D CA -2.053 51.964 54.000 0.027 0.000 0.835 200 D CB 1.797 42.618 40.800 0.036 0.000 1.078 200 D HN 0.154 nan 8.370 nan 0.000 0.495 201 P HA 0.018 nan 4.420 nan 0.000 0.269 201 P C 1.240 178.548 177.300 0.013 0.000 1.209 201 P CA -0.488 62.617 63.100 0.008 0.000 0.776 201 P CB 1.521 33.219 31.700 -0.003 0.000 0.876 202 I N 1.202 121.764 120.570 -0.013 0.000 2.493 202 I HA -0.193 3.977 4.170 0.000 0.000 0.254 202 I C 1.666 177.792 176.117 0.015 0.000 1.160 202 I CA 1.461 62.754 61.300 -0.011 0.000 1.445 202 I CB -0.261 37.633 38.000 -0.176 0.000 1.086 202 I HN 0.285 nan 8.210 nan 0.000 0.433 203 A N 2.082 124.896 122.820 -0.010 0.000 1.930 203 A HA -0.137 4.183 4.320 0.000 0.000 0.217 203 A C 1.127 178.720 177.584 0.014 0.000 1.175 203 A CA 1.191 53.226 52.037 -0.004 0.000 0.627 203 A CB -0.915 18.075 19.000 -0.017 0.000 0.815 203 A HN 0.782 nan 8.150 nan 0.000 0.443 204 N N 0.141 118.851 118.700 0.017 0.000 2.493 204 N HA 0.313 5.053 4.740 0.000 0.000 0.275 204 N C -0.126 175.401 175.510 0.027 0.000 1.186 204 N CA 0.237 53.297 53.050 0.017 0.000 0.978 204 N CB 0.654 39.147 38.487 0.009 0.000 1.184 204 N HN 0.232 nan 8.380 nan 0.000 0.487 205 T N -1.779 112.789 114.554 0.023 0.000 2.874 205 T HA 0.283 4.633 4.350 0.000 0.000 0.281 205 T C -0.227 174.483 174.700 0.016 0.000 0.994 205 T CA -0.584 61.534 62.100 0.030 0.000 1.015 205 T CB 1.383 70.271 68.868 0.034 0.000 1.028 205 T HN 0.611 nan 8.240 nan 0.000 0.523 206 Q N 0.003 119.815 119.800 0.020 0.000 2.397 206 Q HA 0.526 4.866 4.340 0.000 0.000 0.275 206 Q C -1.577 174.437 176.000 0.022 0.000 1.090 206 Q CA -0.955 54.817 55.803 -0.051 0.000 0.809 206 Q CB 2.289 30.954 28.738 -0.121 0.000 1.362 206 Q HN 0.832 nan 8.270 nan 0.000 0.431 207 Y N -0.747 119.572 120.300 0.031 0.000 2.526 207 Y HA -0.304 4.246 4.550 0.000 0.000 0.022 207 Y C 0.241 176.154 175.900 0.021 0.000 1.721 207 Y CA 0.250 58.365 58.100 0.025 0.000 1.405 207 Y CB -0.402 38.075 38.460 0.028 0.000 2.052 207 Y HN 0.747 nan 8.280 nan 0.000 0.257 208 S N 1.403 117.238 115.700 0.226 0.000 2.614 208 S HA 0.189 4.659 4.470 0.000 0.000 0.265 208 S C 0.771 175.428 174.600 0.094 0.000 1.303 208 S CA -0.179 58.093 58.200 0.120 0.000 1.000 208 S CB 1.486 64.741 63.200 0.091 0.000 0.935 208 S HN 0.670 nan 8.310 nan 0.000 0.551 209 E N 0.541 120.776 120.200 0.059 0.000 2.204 209 E HA -0.153 4.197 4.350 0.000 0.000 0.194 209 E C 0.909 177.522 176.600 0.022 0.000 0.989 209 E CA 1.075 57.498 56.400 0.038 0.000 0.824 209 E CB -0.188 29.529 29.700 0.029 0.000 0.756 209 E HN 0.641 nan 8.360 nan 0.000 0.477 210 D N 1.131 121.545 120.400 0.023 0.000 2.117 210 D HA -0.123 4.517 4.640 0.000 0.000 0.198 210 D C 1.775 178.067 176.300 -0.013 0.000 0.982 210 D CA 0.970 54.976 54.000 0.009 0.000 0.828 210 D CB -0.028 40.782 40.800 0.016 0.000 0.967 210 D HN 0.275 nan 8.370 nan 0.000 0.464 211 E N 0.458 120.647 120.200 -0.017 0.000 2.015 211 E HA -0.098 4.253 4.350 0.000 0.000 0.191 211 E C 2.426 178.931 176.600 -0.158 0.000 0.991 211 E CA 0.544 56.883 56.400 -0.102 0.000 0.802 211 E CB -0.050 29.574 29.700 -0.127 0.000 0.759 211 E HN 0.257 nan 8.360 nan 0.000 0.447 212 I N 0.908 121.409 120.570 -0.115 0.000 2.151 212 I HA -0.337 3.833 4.170 0.000 0.000 0.243 212 I C 2.635 178.718 176.117 -0.056 0.000 1.080 212 I CA 1.287 62.533 61.300 -0.089 0.000 1.339 212 I CB -0.446 37.550 38.000 -0.006 0.000 1.039 212 I HN 0.079 nan 8.210 nan 0.000 0.409 213 R N 0.721 121.203 120.500 -0.030 0.000 2.096 213 R HA -0.210 4.130 4.340 0.000 0.000 0.240 213 R C 2.490 178.774 176.300 -0.027 0.000 1.139 213 R CA 1.810 57.899 56.100 -0.017 0.000 0.952 213 R CB -0.512 29.785 30.300 -0.005 0.000 0.854 213 R HN 0.436 nan 8.270 nan 0.000 0.436 214 A N 1.003 123.798 122.820 -0.042 0.000 1.908 214 A HA -0.172 4.148 4.320 0.000 0.000 0.218 214 A C 2.147 179.698 177.584 -0.055 0.000 1.181 214 A CA 1.354 53.365 52.037 -0.044 0.000 0.627 214 A CB -0.504 18.466 19.000 -0.050 0.000 0.818 214 A HN 0.232 nan 8.150 nan 0.000 0.445 215 I N -0.620 119.899 120.570 -0.086 0.000 2.179 215 I HA -0.220 3.950 4.170 0.000 0.000 0.242 215 I C 2.360 178.446 176.117 -0.053 0.000 1.088 215 I CA 1.191 62.435 61.300 -0.092 0.000 1.357 215 I CB -0.303 37.610 38.000 -0.145 0.000 1.051 215 I HN 0.160 nan 8.210 nan 0.000 0.409 216 V N 0.728 120.622 119.914 -0.034 0.000 2.343 216 V HA -0.296 3.824 4.120 0.000 0.000 0.247 216 V C 2.058 178.153 176.094 0.002 0.000 1.051 216 V CA 1.975 64.273 62.300 -0.003 0.000 1.036 216 V CB -0.666 31.165 31.823 0.013 0.000 0.654 216 V HN 0.398 nan 8.190 nan 0.000 0.451 217 D N -0.213 120.184 120.400 -0.005 0.000 2.084 217 D HA -0.142 4.498 4.640 0.000 0.000 0.194 217 D C 2.293 178.591 176.300 -0.003 0.000 0.990 217 D CA 1.133 55.133 54.000 0.000 0.000 0.826 217 D CB -0.260 40.538 40.800 -0.003 0.000 0.971 217 D HN 0.387 nan 8.370 nan 0.000 0.453 218 E N 0.649 120.840 120.200 -0.015 0.000 2.153 218 E HA -0.120 4.230 4.350 0.000 0.000 0.194 218 E C 2.054 178.644 176.600 -0.017 0.000 0.988 218 E CA 0.777 57.166 56.400 -0.018 0.000 0.811 218 E CB -0.273 29.410 29.700 -0.028 0.000 0.746 218 E HN 0.228 nan 8.360 nan 0.000 0.466 219 A N 1.611 124.419 122.820 -0.020 0.000 1.865 219 A HA -0.231 4.089 4.320 0.000 0.000 0.217 219 A C 2.089 179.678 177.584 0.009 0.000 1.191 219 A CA 1.664 53.690 52.037 -0.019 0.000 0.623 219 A CB -0.509 18.476 19.000 -0.025 0.000 0.826 219 A HN 0.211 nan 8.150 nan 0.000 0.444 220 E N -0.462 119.752 120.200 0.024 0.000 2.106 220 E HA -0.087 4.263 4.350 0.000 0.000 0.192 220 E C 2.223 178.838 176.600 0.026 0.000 0.984 220 E CA 0.792 57.214 56.400 0.037 0.000 0.806 220 E CB -0.283 29.441 29.700 0.039 0.000 0.750 220 E HN 0.610 nan 8.360 nan 0.000 0.458 221 A N 1.048 123.876 122.820 0.014 0.000 2.076 221 A HA -0.080 4.240 4.320 0.000 0.000 0.220 221 A C 2.042 179.631 177.584 0.009 0.000 1.160 221 A CA 1.531 53.573 52.037 0.010 0.000 0.653 221 A CB -0.224 18.778 19.000 0.003 0.000 0.801 221 A HN 0.239 nan 8.150 nan 0.000 0.455 222 A N -0.858 121.967 122.820 0.008 0.000 2.500 222 A HA 0.366 4.686 4.320 0.000 0.000 0.267 222 A C 0.454 178.052 177.584 0.022 0.000 1.290 222 A CA 0.001 52.043 52.037 0.008 0.000 0.928 222 A CB -0.287 18.710 19.000 -0.005 0.000 1.066 222 A HN 0.423 nan 8.150 nan 0.000 0.516 223 N N 0.299 119.018 118.700 0.032 0.000 2.725 223 N HA -0.140 4.600 4.740 0.000 0.000 0.251 223 N C 0.041 175.594 175.510 0.072 0.000 1.031 223 N CA 1.656 54.736 53.050 0.050 0.000 0.720 223 N CB -1.495 37.019 38.487 0.044 0.000 0.930 223 N HN 0.676 nan 8.380 nan 0.000 0.543 224 T N -1.673 112.926 114.554 0.075 0.000 2.618 224 T HA 0.701 5.051 4.350 0.000 0.000 0.293 224 T C -1.297 173.496 174.700 0.155 0.000 1.093 224 T CA -0.500 61.669 62.100 0.115 0.000 1.061 224 T CB 1.292 70.157 68.868 -0.005 0.000 1.498 224 T HN 0.221 nan 8.240 nan 0.000 0.494 225 Y N -1.289 119.009 120.300 -0.002 0.000 2.790 225 Y HA 0.875 5.425 4.550 0.000 0.000 0.323 225 Y C -1.364 174.535 175.900 -0.001 0.000 1.230 225 Y CA -1.287 56.814 58.100 0.002 0.000 1.121 225 Y CB 0.761 39.223 38.460 0.003 0.000 1.328 225 Y HN 0.356 nan 8.280 nan 0.000 0.514 226 V N 3.567 123.557 119.914 0.127 0.000 2.495 226 V HA 0.396 4.516 4.120 0.000 0.000 0.298 226 V C -0.129 176.057 176.094 0.154 0.000 1.031 226 V CA -0.880 61.435 62.300 0.026 0.000 0.871 226 V CB 1.409 33.255 31.823 0.038 0.000 0.988 226 V HN 0.818 nan 8.190 nan 0.000 0.432 227 M N 3.706 123.345 119.600 0.065 0.000 2.268 227 M HA 0.945 5.425 4.480 0.000 0.000 0.344 227 M C -0.564 175.802 176.300 0.109 0.000 1.106 227 M CA -0.465 54.913 55.300 0.130 0.000 1.010 227 M CB 1.865 34.534 32.600 0.115 0.000 1.649 227 M HN 0.561 nan 8.290 nan 0.000 0.443 228 A N 1.990 124.884 122.820 0.124 0.000 2.343 228 A HA 0.486 4.806 4.320 0.000 0.000 0.308 228 A C -1.378 176.299 177.584 0.156 0.000 1.092 228 A CA -0.656 51.465 52.037 0.140 0.000 0.751 228 A CB 0.604 19.670 19.000 0.110 0.000 1.203 228 A HN 1.014 nan 8.150 nan 0.000 0.452 229 H N 2.024 121.161 119.070 0.111 0.000 2.878 229 H HA 0.606 5.162 4.556 0.000 0.000 0.290 229 H C -0.139 175.177 175.328 -0.021 0.000 1.065 229 H CA 0.781 56.891 56.048 0.105 0.000 1.477 229 H CB 0.507 30.384 29.762 0.191 0.000 1.484 229 H HN 0.909 nan 8.280 nan 0.000 0.504 230 A N 4.880 127.429 122.820 -0.451 0.000 2.540 230 A HA 0.316 4.636 4.320 0.000 0.000 0.297 230 A C -1.370 175.967 177.584 -0.412 0.000 1.056 230 A CA -0.734 51.085 52.037 -0.363 0.000 0.700 230 A CB 0.480 19.425 19.000 -0.092 0.000 1.280 230 A HN 0.708 nan 8.150 nan 0.000 0.398 231 Y N 1.068 121.267 120.300 -0.169 0.000 2.351 231 Y HA 0.137 4.687 4.550 0.000 0.000 0.291 231 Y C 2.139 178.002 175.900 -0.063 0.000 1.153 231 Y CA 1.576 59.601 58.100 -0.124 0.000 1.193 231 Y CB -0.121 38.244 38.460 -0.159 0.000 1.187 231 Y HN 0.743 nan 8.280 nan 0.000 0.524 232 T N -1.591 113.031 114.554 0.114 0.000 2.882 232 T HA 0.326 4.676 4.350 0.000 0.000 0.287 232 T C 1.624 176.344 174.700 0.034 0.000 1.014 232 T CA -0.096 62.036 62.100 0.054 0.000 1.049 232 T CB 1.453 70.340 68.868 0.032 0.000 1.001 232 T HN 0.378 nan 8.240 nan 0.000 0.525 233 G N 0.542 109.352 108.800 0.015 0.000 2.450 233 G HA2 -0.222 3.738 3.960 0.000 0.000 0.220 233 G HA3 -0.222 3.738 3.960 0.000 0.000 0.220 233 G C 1.530 176.437 174.900 0.010 0.000 1.130 233 G CA 0.752 45.857 45.100 0.008 0.000 0.760 233 G HN 0.871 nan 8.290 nan 0.000 0.557 234 R N 0.545 121.051 120.500 0.009 0.000 2.066 234 R HA 0.075 4.415 4.340 0.000 0.000 0.232 234 R C 2.810 179.119 176.300 0.015 0.000 1.131 234 R CA 1.492 57.598 56.100 0.010 0.000 0.955 234 R CB -0.451 29.854 30.300 0.009 0.000 0.851 234 R HN 0.242 nan 8.270 nan 0.000 0.432 235 A N 1.076 123.909 122.820 0.021 0.000 1.933 235 A HA -0.109 4.211 4.320 0.000 0.000 0.218 235 A C 2.167 179.763 177.584 0.021 0.000 1.175 235 A CA 1.321 53.373 52.037 0.025 0.000 0.628 235 A CB -0.431 18.586 19.000 0.028 0.000 0.814 235 A HN 0.380 nan 8.150 nan 0.000 0.444 236 I N -0.376 120.205 120.570 0.019 0.000 2.163 236 I HA -0.249 3.921 4.170 0.000 0.000 0.240 236 I C 3.008 179.129 176.117 0.007 0.000 1.081 236 I CA 1.012 62.324 61.300 0.021 0.000 1.353 236 I CB -0.358 37.668 38.000 0.045 0.000 1.054 236 I HN 0.344 nan 8.210 nan 0.000 0.407 237 A N 1.815 124.638 122.820 0.004 0.000 1.892 237 A HA -0.266 4.054 4.320 0.000 0.000 0.218 237 A C 2.375 179.940 177.584 -0.032 0.000 1.188 237 A CA 2.311 54.339 52.037 -0.014 0.000 0.631 237 A CB -0.819 18.179 19.000 -0.003 0.000 0.822 237 A HN 0.530 nan 8.150 nan 0.000 0.447 238 R N -0.495 119.999 120.500 -0.010 0.000 2.081 238 R HA 0.058 4.398 4.340 0.000 0.000 0.235 238 R C 2.211 178.504 176.300 -0.013 0.000 1.131 238 R CA 1.474 57.571 56.100 -0.006 0.000 0.960 238 R CB -0.740 29.569 30.300 0.014 0.000 0.856 238 R HN 0.330 nan 8.270 nan 0.000 0.436 239 A N 1.567 124.386 122.820 -0.002 0.000 1.898 239 A HA -0.038 4.282 4.320 0.000 0.000 0.216 239 A C 2.437 180.003 177.584 -0.030 0.000 1.181 239 A CA 1.496 53.537 52.037 0.006 0.000 0.620 239 A CB -0.478 18.540 19.000 0.030 0.000 0.819 239 A HN 0.172 nan 8.150 nan 0.000 0.442 240 V N -0.207 119.664 119.914 -0.072 0.000 2.515 240 V HA -0.216 3.904 4.120 0.000 0.000 0.250 240 V C 2.535 178.447 176.094 -0.303 0.000 1.058 240 V CA 2.065 64.266 62.300 -0.165 0.000 1.064 240 V CB -0.823 30.882 31.823 -0.196 0.000 0.675 240 V HN 0.501 nan 8.190 nan 0.000 0.461 241 R N -1.056 119.301 120.500 -0.239 0.000 2.148 241 R HA -0.085 4.255 4.340 0.000 0.000 0.223 241 R C 2.096 178.358 176.300 -0.064 0.000 1.088 241 R CA 1.426 57.416 56.100 -0.182 0.000 0.985 241 R CB -0.387 29.866 30.300 -0.078 0.000 0.880 241 R HN 0.462 nan 8.270 nan 0.000 0.451 242 C N -0.637 118.637 119.300 -0.044 0.000 2.539 242 C HA 0.193 4.653 4.460 0.000 0.000 0.268 242 C C 1.347 176.339 174.990 0.004 0.000 1.395 242 C CA 0.703 59.717 59.018 -0.008 0.000 1.757 242 C CB -0.379 27.361 27.740 0.001 0.000 1.851 242 C HN 0.793 nan 8.230 nan 0.000 0.545 243 G N 0.735 109.531 108.800 -0.007 0.000 2.141 243 G HA2 -0.132 3.828 3.960 0.000 0.000 0.195 243 G HA3 -0.132 3.828 3.960 0.000 0.000 0.195 243 G C 0.066 174.995 174.900 0.049 0.000 1.012 243 G CA 0.266 45.384 45.100 0.030 0.000 0.696 243 G HN 0.951 nan 8.290 nan 0.000 0.508 244 V N -1.734 118.203 119.914 0.039 0.000 2.881 244 V HA 0.776 4.896 4.120 0.000 0.000 0.303 244 V C 1.333 177.487 176.094 0.099 0.000 1.070 244 V CA 0.521 62.868 62.300 0.078 0.000 1.074 244 V CB 1.646 33.511 31.823 0.070 0.000 1.012 244 V HN 0.401 nan 8.190 nan 0.000 0.482 245 R N 1.694 122.291 120.500 0.161 0.000 2.142 245 R HA 0.213 4.553 4.340 0.000 0.000 0.204 245 R C 0.905 177.327 176.300 0.204 0.000 1.059 245 R CA 0.891 57.093 56.100 0.169 0.000 1.055 245 R CB 0.232 30.617 30.300 0.143 0.000 0.976 245 R HN 0.988 nan 8.270 nan 0.000 0.483 246 T N -1.175 113.491 114.554 0.188 0.000 2.912 246 T HA 0.519 4.869 4.350 0.000 0.000 0.288 246 T C -0.332 174.430 174.700 0.103 0.000 1.030 246 T CA -0.871 61.321 62.100 0.153 0.000 1.020 246 T CB 1.760 70.677 68.868 0.082 0.000 1.056 246 T HN -0.066 nan 8.240 nan 0.000 0.480 247 I N 2.774 123.375 120.570 0.051 0.000 2.389 247 I HA 0.377 4.547 4.170 0.000 0.000 0.288 247 I C -0.080 176.003 176.117 -0.057 0.000 0.999 247 I CA -0.768 60.538 61.300 0.009 0.000 1.129 247 I CB 1.855 39.856 38.000 0.002 0.000 1.288 247 I HN 0.752 nan 8.210 nan 0.000 0.444 248 E N 6.395 126.552 120.200 -0.072 0.000 2.301 248 E HA 0.321 4.671 4.350 0.000 0.000 0.275 248 E C 0.452 176.828 176.600 -0.373 0.000 1.030 248 E CA -0.271 55.968 56.400 -0.268 0.000 0.852 248 E CB 1.067 30.646 29.700 -0.201 0.000 1.060 248 E HN 0.549 nan 8.360 nan 0.000 0.401 249 H N 1.940 120.897 119.070 -0.187 0.000 2.951 249 H HA -0.287 4.269 4.556 0.000 0.000 0.089 249 H C 1.124 176.426 175.328 -0.043 0.000 0.614 249 H CA 1.454 57.426 56.048 -0.127 0.000 1.649 249 H CB -1.428 28.146 29.762 -0.313 0.000 1.877 249 H HN 0.844 nan 8.280 nan 0.000 0.918 250 G N 1.579 110.413 108.800 0.057 0.000 2.143 250 G HA2 -0.356 3.604 3.960 0.000 0.000 0.248 250 G HA3 -0.356 3.604 3.960 0.000 0.000 0.248 250 G C 0.692 175.746 174.900 0.257 0.000 0.991 250 G CA 1.094 46.292 45.100 0.163 0.000 0.689 250 G HN 0.593 nan 8.290 nan 0.000 0.522 251 N N -0.227 118.630 118.700 0.262 0.000 2.364 251 N HA 0.022 4.762 4.740 0.000 0.000 0.183 251 N C 1.470 177.018 175.510 0.063 0.000 1.022 251 N CA 1.190 54.336 53.050 0.161 0.000 0.883 251 N CB -0.089 38.440 38.487 0.070 0.000 0.965 251 N HN 0.590 nan 8.380 nan 0.000 0.438 252 L N 0.531 121.803 121.223 0.080 0.000 3.096 252 L HA 0.323 4.663 4.340 0.000 0.000 0.272 252 L C -0.463 176.401 176.870 -0.010 0.000 1.311 252 L CA -0.561 54.280 54.840 0.003 0.000 0.943 252 L CB 0.327 42.377 42.059 -0.015 0.000 1.348 252 L HN -0.152 nan 8.230 nan 0.000 0.562 253 V N -2.249 117.641 119.914 -0.040 0.000 2.963 253 V HA 0.174 4.294 4.120 0.000 0.000 0.306 253 V C 0.161 176.188 176.094 -0.111 0.000 1.077 253 V CA -0.716 61.531 62.300 -0.089 0.000 1.124 253 V CB 0.381 32.061 31.823 -0.237 0.000 0.987 253 V HN 0.461 nan 8.190 nan 0.000 0.487 254 D N 1.865 122.216 120.400 -0.083 0.000 2.387 254 D HA 0.299 4.939 4.640 0.000 0.000 0.255 254 D C 0.954 177.197 176.300 -0.095 0.000 1.081 254 D CA -0.461 53.490 54.000 -0.082 0.000 0.994 254 D CB 0.686 41.457 40.800 -0.049 0.000 1.127 254 D HN 0.637 nan 8.370 nan 0.000 0.513 255 E N 0.186 120.337 120.200 -0.082 0.000 2.274 255 E HA -0.175 4.175 4.350 0.000 0.000 0.194 255 E C 1.732 178.312 176.600 -0.035 0.000 0.996 255 E CA 0.865 57.221 56.400 -0.073 0.000 0.840 255 E CB -0.481 29.181 29.700 -0.063 0.000 0.772 255 E HN 0.494 nan 8.360 nan 0.000 0.491 256 A N 2.186 124.992 122.820 -0.023 0.000 1.877 256 A HA 0.006 4.326 4.320 0.000 0.000 0.216 256 A C 2.551 180.143 177.584 0.013 0.000 1.186 256 A CA 2.243 54.279 52.037 -0.001 0.000 0.620 256 A CB -0.775 18.224 19.000 -0.002 0.000 0.822 256 A HN 0.393 nan 8.150 nan 0.000 0.443 257 A N -0.111 122.711 122.820 0.004 0.000 1.858 257 A HA 0.160 4.480 4.320 0.000 0.000 0.216 257 A C 2.556 180.169 177.584 0.047 0.000 1.190 257 A CA 2.256 54.306 52.037 0.021 0.000 0.617 257 A CB -1.233 17.775 19.000 0.013 0.000 0.827 257 A HN 1.164 nan 8.150 nan 0.000 0.443 258 A N -0.187 122.646 122.820 0.022 0.000 1.903 258 A HA -0.280 4.040 4.320 0.000 0.000 0.219 258 A C 2.165 179.810 177.584 0.102 0.000 1.191 258 A CA 2.332 54.405 52.037 0.059 0.000 0.638 258 A CB -0.583 18.381 19.000 -0.060 0.000 0.823 258 A HN 0.565 nan 8.150 nan 0.000 0.451 259 K N -1.008 119.433 120.400 0.070 0.000 2.063 259 K HA -0.151 4.170 4.320 0.000 0.000 0.208 259 K C 1.918 178.606 176.600 0.147 0.000 1.048 259 K CA 1.625 57.972 56.287 0.101 0.000 0.928 259 K CB -0.277 32.258 32.500 0.059 0.000 0.713 259 K HN 0.374 nan 8.250 nan 0.000 0.442 260 L N 0.980 122.277 121.223 0.123 0.000 2.141 260 L HA -0.084 4.256 4.340 0.000 0.000 0.209 260 L C 2.239 179.231 176.870 0.204 0.000 1.094 260 L CA 1.387 56.328 54.840 0.168 0.000 0.763 260 L CB -0.201 41.924 42.059 0.110 0.000 0.908 260 L HN 0.256 nan 8.230 nan 0.000 0.437 261 M N -1.641 118.043 119.600 0.140 0.000 2.099 261 M HA -0.238 4.242 4.480 0.000 0.000 0.262 261 M C 2.345 178.709 176.300 0.106 0.000 1.067 261 M CA 1.870 57.239 55.300 0.115 0.000 1.124 261 M CB -0.327 32.352 32.600 0.132 0.000 1.353 261 M HN 0.489 nan 8.290 nan 0.000 0.410 262 H N 0.060 119.157 119.070 0.044 0.000 2.319 262 H HA -0.191 4.365 4.556 0.000 0.000 0.299 262 H C 1.773 177.097 175.328 -0.006 0.000 1.092 262 H CA 2.493 58.541 56.048 0.001 0.000 1.302 262 H CB -0.123 29.643 29.762 0.007 0.000 1.373 262 H HN 0.420 nan 8.280 nan 0.000 0.497 263 E N -1.112 119.025 120.200 -0.105 0.000 2.085 263 E HA -0.208 4.142 4.350 0.000 0.000 0.194 263 E C 1.725 178.185 176.600 -0.232 0.000 0.994 263 E CA 1.472 57.756 56.400 -0.193 0.000 0.801 263 E CB -0.043 29.633 29.700 -0.040 0.000 0.743 263 E HN 0.681 nan 8.360 nan 0.000 0.453 264 H N -1.579 117.414 119.070 -0.127 0.000 2.547 264 H HA 0.157 4.713 4.556 0.000 0.000 0.272 264 H C 0.931 176.175 175.328 -0.140 0.000 0.989 264 H CA 0.859 56.846 56.048 -0.101 0.000 1.214 264 H CB 0.674 30.407 29.762 -0.049 0.000 1.389 264 H HN 0.301 nan 8.280 nan 0.000 0.577 265 G N -0.048 108.677 108.800 -0.124 0.000 2.212 265 G HA2 -0.179 3.781 3.960 0.000 0.000 0.255 265 G HA3 -0.179 3.781 3.960 0.000 0.000 0.255 265 G C 0.071 174.807 174.900 -0.273 0.000 1.062 265 G CA 0.154 45.115 45.100 -0.232 0.000 0.815 265 G HN 0.666 nan 8.290 nan 0.000 0.497 266 A N -0.470 122.245 122.820 -0.175 0.000 2.306 266 A HA 0.879 5.199 4.320 0.000 0.000 0.314 266 A C 0.225 177.686 177.584 -0.205 0.000 1.164 266 A CA -0.576 51.395 52.037 -0.109 0.000 0.822 266 A CB 0.739 19.747 19.000 0.013 0.000 1.130 266 A HN 0.549 nan 8.150 nan 0.000 0.496 267 F N 0.811 120.729 119.950 -0.054 0.000 2.368 267 F HA 0.543 5.070 4.527 0.000 0.000 0.308 267 F C 0.436 176.162 175.800 -0.124 0.000 1.198 267 F CA -0.367 57.584 58.000 -0.082 0.000 1.130 267 F CB 1.033 39.974 39.000 -0.098 0.000 1.300 267 F HN 0.293 nan 8.300 nan 0.000 0.537 268 V N 0.717 120.637 119.914 0.010 0.000 2.709 268 V HA 0.474 4.594 4.120 0.000 0.000 0.308 268 V C -0.916 175.086 176.094 -0.154 0.000 1.062 268 V CA -0.885 61.296 62.300 -0.199 0.000 0.901 268 V CB 1.771 33.196 31.823 -0.662 0.000 1.003 268 V HN 0.456 nan 8.190 nan 0.000 0.425 269 V N 5.175 124.995 119.914 -0.156 0.000 2.289 269 V HA 0.358 4.478 4.120 0.000 0.000 0.272 269 V C -2.471 173.494 176.094 -0.215 0.000 1.026 269 V CA -1.669 60.539 62.300 -0.153 0.000 0.807 269 V CB 1.347 33.113 31.823 -0.095 0.000 1.044 269 V HN 0.729 nan 8.190 nan 0.000 0.443 270 P HA 0.269 nan 4.420 nan 0.000 0.272 270 P C 0.298 177.503 177.300 -0.157 0.000 1.223 270 P CA 0.064 63.097 63.100 -0.111 0.000 0.784 270 P CB 0.530 32.198 31.700 -0.053 0.000 0.923 271 T N -1.858 112.670 114.554 -0.044 0.000 3.732 271 T HA 0.293 4.643 4.350 0.000 0.000 0.234 271 T C 0.937 175.634 174.700 -0.005 0.000 1.146 271 T CA -0.419 61.609 62.100 -0.120 0.000 1.454 271 T CB -1.133 67.614 68.868 -0.202 0.000 0.910 271 T HN 0.069 nan 8.240 nan 0.000 0.640 272 L N 0.132 121.385 121.223 0.050 0.000 2.131 272 L HA -0.024 4.316 4.340 0.000 0.000 0.210 272 L C 2.719 179.645 176.870 0.093 0.000 1.092 272 L CA 0.781 55.734 54.840 0.188 0.000 0.759 272 L CB -0.596 41.520 42.059 0.095 0.000 0.903 272 L HN 0.409 nan 8.230 nan 0.000 0.435 273 V N -0.456 119.432 119.914 -0.045 0.000 2.568 273 V HA -0.320 3.800 4.120 0.000 0.000 0.253 273 V C 2.601 178.644 176.094 -0.085 0.000 1.072 273 V CA 2.505 64.773 62.300 -0.053 0.000 1.084 273 V CB -0.161 31.636 31.823 -0.044 0.000 0.676 273 V HN 0.553 nan 8.190 nan 0.000 0.469 274 T N -1.313 113.123 114.554 -0.196 0.000 2.915 274 T HA -0.154 4.196 4.350 0.000 0.000 0.269 274 T C 1.530 176.068 174.700 -0.270 0.000 1.071 274 T CA 1.828 63.767 62.100 -0.268 0.000 1.132 274 T CB -0.269 68.366 68.868 -0.389 0.000 0.878 274 T HN 0.699 nan 8.240 nan 0.000 0.479 275 Y N 1.219 121.524 120.300 0.009 0.000 2.337 275 Y HA 0.123 4.673 4.550 0.000 0.000 0.293 275 Y C 2.351 178.225 175.900 -0.044 0.000 1.123 275 Y CA 0.451 58.546 58.100 -0.008 0.000 1.201 275 Y CB -0.348 38.106 38.460 -0.010 0.000 1.011 275 Y HN 0.232 nan 8.280 nan 0.000 0.545 276 D N 0.036 120.473 120.400 0.061 0.000 2.117 276 D HA -0.114 4.526 4.640 0.000 0.000 0.198 276 D C 2.283 178.505 176.300 -0.130 0.000 0.982 276 D CA 1.373 55.346 54.000 -0.046 0.000 0.828 276 D CB -0.503 40.251 40.800 -0.076 0.000 0.967 276 D HN 0.293 nan 8.370 nan 0.000 0.464 277 A N 0.581 123.327 122.820 -0.124 0.000 1.902 277 A HA -0.095 4.225 4.320 0.000 0.000 0.217 277 A C 2.267 179.863 177.584 0.020 0.000 1.181 277 A CA 0.902 52.892 52.037 -0.077 0.000 0.623 277 A CB -0.758 18.280 19.000 0.063 0.000 0.818 277 A HN 0.214 nan 8.150 nan 0.000 0.443 278 L N -0.934 120.306 121.223 0.028 0.000 2.291 278 L HA -0.077 4.263 4.340 0.000 0.000 0.214 278 L C 2.939 179.809 176.870 -0.001 0.000 1.120 278 L CA 0.552 55.423 54.840 0.052 0.000 0.799 278 L CB -0.415 41.687 42.059 0.071 0.000 0.925 278 L HN 0.450 nan 8.230 nan 0.000 0.446 279 A N 0.351 123.147 122.820 -0.041 0.000 1.855 279 A HA -0.209 4.111 4.320 0.000 0.000 0.215 279 A C 2.297 179.782 177.584 -0.165 0.000 1.191 279 A CA 1.672 53.661 52.037 -0.080 0.000 0.613 279 A CB -0.255 18.700 19.000 -0.075 0.000 0.829 279 A HN 0.163 nan 8.150 nan 0.000 0.442 280 K N -0.602 119.607 120.400 -0.317 0.000 2.007 280 K HA -0.027 4.293 4.320 0.000 0.000 0.206 280 K C 0.770 177.053 176.600 -0.527 0.000 1.047 280 K CA 1.473 57.423 56.287 -0.562 0.000 0.937 280 K CB -0.060 31.813 32.500 -1.045 0.000 0.718 280 K HN 0.679 nan 8.250 nan 0.000 0.438 281 H N -1.512 117.516 119.070 -0.070 0.000 2.481 281 H HA 0.321 4.877 4.556 0.000 0.000 0.273 281 H C 1.031 176.311 175.328 -0.081 0.000 1.145 281 H CA 0.139 56.080 56.048 -0.180 0.000 0.964 281 H CB 0.359 29.964 29.762 -0.261 0.000 1.722 281 H HN 0.241 nan 8.280 nan 0.000 0.573 282 G N 1.126 109.937 108.800 0.020 0.000 2.605 282 G HA2 -0.141 3.820 3.960 0.000 0.000 0.215 282 G HA3 -0.141 3.820 3.960 0.000 0.000 0.215 282 G C 1.678 176.616 174.900 0.062 0.000 1.279 282 G CA 0.919 46.055 45.100 0.061 0.000 0.831 282 G HN 0.424 nan 8.290 nan 0.000 0.560 283 A N 0.121 122.955 122.820 0.024 0.000 2.125 283 A HA 0.041 4.361 4.320 0.000 0.000 0.219 283 A C 2.091 179.684 177.584 0.016 0.000 1.156 283 A CA 1.929 53.981 52.037 0.025 0.000 0.671 283 A CB -0.377 18.628 19.000 0.010 0.000 0.794 283 A HN 0.571 nan 8.150 nan 0.000 0.459 284 E N -1.063 119.118 120.200 -0.032 0.000 2.072 284 E HA -0.145 4.206 4.350 0.000 0.000 0.191 284 E C 0.417 176.983 176.600 -0.057 0.000 0.985 284 E CA 0.952 57.285 56.400 -0.112 0.000 0.801 284 E CB -0.118 29.426 29.700 -0.260 0.000 0.750 284 E HN 0.543 nan 8.360 nan 0.000 0.452 285 F N -0.278 119.720 119.950 0.079 0.000 2.664 285 F HA 0.318 4.845 4.527 0.000 0.000 0.301 285 F C 1.282 177.104 175.800 0.038 0.000 1.126 285 F CA 0.545 58.581 58.000 0.059 0.000 1.373 285 F CB 0.777 39.822 39.000 0.076 0.000 1.042 285 F HN 0.206 nan 8.300 nan 0.000 0.535 286 G N 0.551 109.464 108.800 0.188 0.000 2.131 286 G HA2 -0.301 3.659 3.960 0.000 0.000 0.223 286 G HA3 -0.301 3.659 3.960 0.000 0.000 0.223 286 G C 0.389 175.338 174.900 0.080 0.000 0.990 286 G CA -0.067 45.099 45.100 0.111 0.000 0.671 286 G HN 0.308 nan 8.290 nan 0.000 0.521 287 M N 2.243 121.898 119.600 0.093 0.000 2.146 287 M HA 0.406 4.886 4.480 0.000 0.000 0.352 287 M C -1.703 174.631 176.300 0.056 0.000 1.343 287 M CA -1.825 53.516 55.300 0.068 0.000 1.115 287 M CB 0.661 33.310 32.600 0.083 0.000 1.657 287 M HN -0.020 nan 8.290 nan 0.000 0.471 288 P HA -0.022 nan 4.420 nan 0.000 0.264 288 P C -2.450 174.874 177.300 0.041 0.000 1.173 288 P CA -0.613 62.513 63.100 0.043 0.000 0.761 288 P CB -0.371 31.358 31.700 0.048 0.000 0.794 289 P HA -0.181 nan 4.420 nan 0.000 0.218 289 P C 1.273 178.586 177.300 0.023 0.000 1.148 289 P CA 1.528 64.642 63.100 0.024 0.000 0.822 289 P CB -0.082 31.629 31.700 0.018 0.000 0.784 290 E N -1.160 119.056 120.200 0.027 0.000 2.478 290 E HA 0.053 4.403 4.350 0.000 0.000 0.194 290 E C 1.359 177.979 176.600 0.034 0.000 1.045 290 E CA 0.603 57.018 56.400 0.025 0.000 0.868 290 E CB -0.583 29.131 29.700 0.023 0.000 0.885 290 E HN 0.088 nan 8.360 nan 0.000 0.505 291 S N 0.623 116.352 115.700 0.048 0.000 2.406 291 S HA -0.028 4.442 4.470 0.000 0.000 0.224 291 S C 1.980 176.612 174.600 0.054 0.000 1.030 291 S CA 0.939 59.178 58.200 0.065 0.000 0.958 291 S CB 0.080 63.331 63.200 0.085 0.000 0.811 291 S HN 0.270 nan 8.310 nan 0.000 0.489 292 V N 1.722 121.662 119.914 0.043 0.000 2.970 292 V HA 0.023 4.143 4.120 0.000 0.000 0.260 292 V C 2.400 178.502 176.094 0.013 0.000 1.100 292 V CA 1.153 63.472 62.300 0.032 0.000 1.122 292 V CB -1.392 30.446 31.823 0.025 0.000 0.721 292 V HN 0.450 nan 8.190 nan 0.000 0.483 293 A N 0.257 123.083 122.820 0.008 0.000 1.930 293 A HA -0.157 4.163 4.320 0.000 0.000 0.217 293 A C 2.320 179.894 177.584 -0.018 0.000 1.175 293 A CA 1.666 53.700 52.037 -0.006 0.000 0.627 293 A CB -0.372 18.626 19.000 -0.004 0.000 0.815 293 A HN 0.510 nan 8.150 nan 0.000 0.443 294 K N -0.794 119.600 120.400 -0.011 0.000 2.418 294 K HA 0.107 4.427 4.320 0.000 0.000 0.195 294 K C 1.456 178.020 176.600 -0.061 0.000 1.035 294 K CA 0.564 56.828 56.287 -0.038 0.000 1.003 294 K CB 0.082 32.570 32.500 -0.019 0.000 0.793 294 K HN 0.276 nan 8.250 nan 0.000 0.494 295 V N 0.626 120.530 119.914 -0.017 0.000 3.129 295 V HA -0.046 4.074 4.120 0.000 0.000 0.259 295 V C 1.901 177.967 176.094 -0.046 0.000 1.116 295 V CA 1.192 63.495 62.300 0.005 0.000 1.127 295 V CB 0.022 31.896 31.823 0.085 0.000 0.742 295 V HN 0.281 nan 8.190 nan 0.000 0.474 296 A N 0.517 123.304 122.820 -0.056 0.000 1.908 296 A HA -0.209 4.111 4.320 0.000 0.000 0.218 296 A C 2.544 180.067 177.584 -0.103 0.000 1.181 296 A CA 2.497 54.494 52.037 -0.066 0.000 0.627 296 A CB -0.773 18.194 19.000 -0.055 0.000 0.818 296 A HN 0.770 nan 8.150 nan 0.000 0.445 297 S N -0.177 115.443 115.700 -0.133 0.000 2.395 297 S HA -0.083 4.387 4.470 0.000 0.000 0.225 297 S C 1.736 176.203 174.600 -0.222 0.000 1.027 297 S CA 1.291 59.397 58.200 -0.158 0.000 0.965 297 S CB -1.055 62.050 63.200 -0.157 0.000 0.812 297 S HN 0.738 nan 8.310 nan 0.000 0.482 298 V N 1.766 121.485 119.914 -0.325 0.000 2.719 298 V HA -0.117 4.003 4.120 0.000 0.000 0.252 298 V C 2.688 178.508 176.094 -0.456 0.000 1.065 298 V CA 1.258 63.270 62.300 -0.481 0.000 1.086 298 V CB -1.665 29.679 31.823 -0.798 0.000 0.700 298 V HN 0.687 nan 8.190 nan 0.000 0.467 299 Q N 0.130 119.715 119.800 -0.358 0.000 2.230 299 Q HA -0.153 4.187 4.340 0.000 0.000 0.202 299 Q C 2.094 178.014 176.000 -0.132 0.000 0.963 299 Q CA 1.149 56.821 55.803 -0.219 0.000 0.866 299 Q CB -0.489 28.201 28.738 -0.080 0.000 0.931 299 Q HN 0.569 nan 8.270 nan 0.000 0.452 300 Q N 1.899 121.622 119.800 -0.129 0.000 1.935 300 Q HA -0.183 4.157 4.340 0.000 0.000 0.212 300 Q C 1.784 177.734 176.000 -0.084 0.000 1.008 300 Q CA 1.840 57.587 55.803 -0.093 0.000 0.868 300 Q CB -0.513 28.168 28.738 -0.094 0.000 0.946 300 Q HN 0.293 nan 8.270 nan 0.000 0.418 301 K N 0.439 120.780 120.400 -0.099 0.000 2.574 301 K HA -0.007 4.313 4.320 0.000 0.000 0.193 301 K C 1.805 178.368 176.600 -0.063 0.000 1.035 301 K CA 0.656 56.896 56.287 -0.079 0.000 0.982 301 K CB -0.587 31.862 32.500 -0.085 0.000 0.795 301 K HN 0.417 nan 8.250 nan 0.000 0.491 302 G N 0.502 109.257 108.800 -0.075 0.000 2.453 302 G HA2 -0.263 3.697 3.960 0.000 0.000 0.215 302 G HA3 -0.263 3.697 3.960 0.000 0.000 0.215 302 G C 1.456 176.363 174.900 0.012 0.000 1.201 302 G CA 0.451 45.529 45.100 -0.037 0.000 0.784 302 G HN 0.244 nan 8.290 nan 0.000 0.545 303 R N 0.062 120.563 120.500 0.002 0.000 2.096 303 R HA -0.015 4.325 4.340 0.000 0.000 0.235 303 R C 2.497 178.803 176.300 0.010 0.000 1.127 303 R CA 1.241 57.350 56.100 0.014 0.000 0.968 303 R CB -0.265 30.039 30.300 0.007 0.000 0.861 303 R HN 0.506 nan 8.270 nan 0.000 0.440 304 E N 0.456 120.649 120.200 -0.012 0.000 2.077 304 E HA -0.192 4.158 4.350 0.000 0.000 0.193 304 E C 1.860 178.438 176.600 -0.037 0.000 0.989 304 E CA 1.654 58.039 56.400 -0.026 0.000 0.800 304 E CB 0.073 29.748 29.700 -0.041 0.000 0.746 304 E HN 0.338 nan 8.360 nan 0.000 0.452 305 S N 0.475 116.154 115.700 -0.035 0.000 2.383 305 S HA -0.194 4.276 4.470 0.000 0.000 0.229 305 S C 2.015 176.611 174.600 -0.007 0.000 1.030 305 S CA 0.903 59.053 58.200 -0.082 0.000 1.002 305 S CB -0.439 62.766 63.200 0.007 0.000 0.829 305 S HN 0.180 nan 8.310 nan 0.000 0.467 306 L N 2.029 123.321 121.223 0.115 0.000 2.043 306 L HA -0.070 4.270 4.340 0.000 0.000 0.212 306 L C 2.717 179.657 176.870 0.117 0.000 1.075 306 L CA 1.836 56.784 54.840 0.179 0.000 0.752 306 L CB -1.172 40.952 42.059 0.108 0.000 0.891 306 L HN 0.409 nan 8.230 nan 0.000 0.432 307 E N -0.683 119.542 120.200 0.041 0.000 2.058 307 E HA -0.247 4.103 4.350 0.000 0.000 0.194 307 E C 2.277 178.867 176.600 -0.017 0.000 0.997 307 E CA 1.584 57.991 56.400 0.012 0.000 0.801 307 E CB -0.198 29.497 29.700 -0.009 0.000 0.746 307 E HN 0.462 nan 8.360 nan 0.000 0.450 308 I N 0.129 120.646 120.570 -0.088 0.000 2.208 308 I HA -0.302 3.868 4.170 0.000 0.000 0.245 308 I C 2.050 178.084 176.117 -0.139 0.000 1.097 308 I CA 1.230 62.431 61.300 -0.164 0.000 1.363 308 I CB -0.384 37.443 38.000 -0.288 0.000 1.051 308 I HN 0.153 nan 8.210 nan 0.000 0.413 309 Y N 0.941 121.237 120.300 -0.006 0.000 2.181 309 Y HA -0.192 4.358 4.550 0.000 0.000 0.288 309 Y C 2.709 178.602 175.900 -0.010 0.000 1.146 309 Y CA 1.121 59.220 58.100 -0.002 0.000 1.164 309 Y CB -1.062 37.403 38.460 0.010 0.000 0.982 309 Y HN 0.106 nan 8.280 nan 0.000 0.515 310 A N 0.645 123.557 122.820 0.154 0.000 1.865 310 A HA -0.260 4.060 4.320 0.000 0.000 0.217 310 A C 2.162 179.757 177.584 0.018 0.000 1.191 310 A CA 2.129 54.210 52.037 0.073 0.000 0.623 310 A CB -0.877 18.157 19.000 0.058 0.000 0.826 310 A HN 0.461 nan 8.150 nan 0.000 0.444 311 N N 0.425 119.124 118.700 -0.003 0.000 2.069 311 N HA -0.141 4.599 4.740 0.000 0.000 0.191 311 N C 1.734 177.204 175.510 -0.066 0.000 1.031 311 N CA 1.787 54.815 53.050 -0.035 0.000 0.852 311 N CB -0.642 37.820 38.487 -0.042 0.000 1.018 311 N HN 0.495 nan 8.380 nan 0.000 0.423 312 A N -0.119 122.669 122.820 -0.055 0.000 2.168 312 A HA 0.306 4.626 4.320 0.000 0.000 0.215 312 A C 1.326 178.785 177.584 -0.209 0.000 1.152 312 A CA 0.998 52.980 52.037 -0.091 0.000 0.716 312 A CB -0.524 18.470 19.000 -0.011 0.000 0.794 312 A HN 0.387 nan 8.150 nan 0.000 0.465 313 G N -0.966 107.762 108.800 -0.120 0.000 2.248 313 G HA2 -0.121 3.839 3.960 0.000 0.000 0.263 313 G HA3 -0.121 3.839 3.960 0.000 0.000 0.263 313 G C -0.147 174.776 174.900 0.040 0.000 1.082 313 G CA 0.073 45.097 45.100 -0.126 0.000 0.863 313 G HN 0.904 nan 8.290 nan 0.000 0.495 314 V N 0.046 120.018 119.914 0.097 0.000 2.370 314 V HA 0.393 4.513 4.120 0.000 0.000 0.279 314 V C 0.880 176.997 176.094 0.040 0.000 1.029 314 V CA -1.075 61.289 62.300 0.107 0.000 0.870 314 V CB 1.445 33.382 31.823 0.191 0.000 0.984 314 V HN 0.401 nan 8.190 nan 0.000 0.451 315 K N 4.869 125.257 120.400 -0.021 0.000 2.511 315 K HA 0.199 4.519 4.320 0.000 0.000 0.280 315 K C -0.276 176.360 176.600 0.059 0.000 1.008 315 K CA 0.901 57.204 56.287 0.027 0.000 1.050 315 K CB 0.151 32.662 32.500 0.019 0.000 0.889 315 K HN 0.599 nan 8.250 nan 0.000 0.484 316 M N 1.770 121.406 119.600 0.060 0.000 2.383 316 M HA 0.388 4.869 4.480 0.000 0.000 0.325 316 M C 0.386 176.723 176.300 0.062 0.000 1.092 316 M CA -0.636 54.670 55.300 0.009 0.000 0.961 316 M CB 2.295 34.881 32.600 -0.025 0.000 1.672 316 M HN 0.728 nan 8.290 nan 0.000 0.438 317 G N 1.143 109.964 108.800 0.034 0.000 2.597 317 G HA2 0.667 4.627 3.960 0.000 0.000 0.317 317 G HA3 0.667 4.627 3.960 0.000 0.000 0.317 317 G C -1.894 173.044 174.900 0.062 0.000 1.230 317 G CA -0.537 44.600 45.100 0.060 0.000 0.996 317 G HN 0.595 nan 8.290 nan 0.000 0.490 318 F N 0.631 120.557 119.950 -0.040 0.000 2.420 318 F HA 0.609 5.136 4.527 0.000 0.000 0.352 318 F C 0.513 176.273 175.800 -0.067 0.000 1.108 318 F CA -0.004 57.950 58.000 -0.077 0.000 1.162 318 F CB 1.282 40.233 39.000 -0.082 0.000 1.118 318 F HN 0.546 nan 8.300 nan 0.000 0.510 319 G N 2.764 111.269 108.800 -0.491 0.000 2.701 319 G HA2 0.399 4.359 3.960 0.000 0.000 0.300 319 G HA3 0.399 4.359 3.960 0.000 0.000 0.300 319 G C -0.521 174.125 174.900 -0.422 0.000 1.410 319 G CA -0.120 44.805 45.100 -0.290 0.000 1.014 319 G HN 0.782 nan 8.290 nan 0.000 0.509 320 S N 0.625 116.195 115.700 -0.215 0.000 2.591 320 S HA 0.137 4.607 4.470 0.000 0.000 0.235 320 S C 0.968 175.496 174.600 -0.120 0.000 1.074 320 S CA 1.263 59.351 58.200 -0.186 0.000 0.925 320 S CB 0.058 63.191 63.200 -0.111 0.000 0.818 320 S HN 0.773 nan 8.310 nan 0.000 0.535 321 D N 0.556 120.956 120.400 -0.000 0.000 2.911 321 D HA -0.122 4.518 4.640 0.000 0.000 0.227 321 D C -0.797 175.523 176.300 0.033 0.000 1.164 321 D CA 0.448 54.535 54.000 0.144 0.000 0.782 321 D CB -1.988 38.852 40.800 0.067 0.000 1.094 321 D HN 0.577 nan 8.370 nan 0.000 0.425 322 L N 0.101 121.256 121.223 -0.114 0.000 2.371 322 L HA 0.417 4.757 4.340 0.000 0.000 0.272 322 L C 0.724 177.351 176.870 -0.405 0.000 1.124 322 L CA -0.475 54.222 54.840 -0.239 0.000 0.816 322 L CB 0.847 42.736 42.059 -0.283 0.000 1.129 322 L HN 0.004 nan 8.230 nan 0.000 0.448 323 L N 2.197 123.307 121.223 -0.187 0.000 2.334 323 L HA 0.739 5.079 4.340 0.000 0.000 0.276 323 L C 0.916 177.805 176.870 0.030 0.000 1.014 323 L CA -0.542 54.266 54.840 -0.053 0.000 0.815 323 L CB 1.429 43.490 42.059 0.003 0.000 1.268 323 L HN 0.843 nan 8.230 nan 0.000 0.428 324 G N 1.909 110.803 108.800 0.157 0.000 2.583 324 G HA2 -0.301 3.659 3.960 0.000 0.000 0.292 324 G HA3 -0.301 3.659 3.960 0.000 0.000 0.292 324 G C 0.711 175.631 174.900 0.035 0.000 1.203 324 G CA 0.466 45.597 45.100 0.052 0.000 0.987 324 G HN 0.850 nan 8.290 nan 0.000 0.554 325 E N 0.571 120.627 120.200 -0.239 0.000 2.427 325 E HA 0.050 4.400 4.350 0.000 0.000 0.196 325 E C 2.475 178.951 176.600 -0.206 0.000 1.028 325 E CA 1.120 57.328 56.400 -0.321 0.000 0.864 325 E CB -0.168 29.134 29.700 -0.662 0.000 0.813 325 E HN 0.669 nan 8.360 nan 0.000 0.514 326 M N 0.700 120.266 119.600 -0.056 0.000 2.686 326 M HA -0.009 4.471 4.480 0.000 0.000 0.246 326 M C 1.204 177.555 176.300 0.083 0.000 1.096 326 M CA 0.582 55.986 55.300 0.175 0.000 1.076 326 M CB -0.421 32.386 32.600 0.346 0.000 1.504 326 M HN 0.118 nan 8.290 nan 0.000 0.524 327 H N 0.173 119.224 119.070 -0.032 0.000 2.387 327 H HA -0.047 4.509 4.556 0.000 0.000 0.299 327 H C 2.167 177.465 175.328 -0.050 0.000 1.090 327 H CA 1.777 57.813 56.048 -0.020 0.000 1.332 327 H CB 0.071 29.807 29.762 -0.045 0.000 1.386 327 H HN 0.453 nan 8.280 nan 0.000 0.516 328 A N 0.269 123.049 122.820 -0.067 0.000 2.042 328 A HA -0.225 4.095 4.320 0.000 0.000 0.222 328 A C 1.560 179.059 177.584 -0.141 0.000 1.167 328 A CA 1.498 53.420 52.037 -0.191 0.000 0.649 328 A CB -1.057 17.694 19.000 -0.414 0.000 0.809 328 A HN 0.476 nan 8.150 nan 0.000 0.457 329 F N -0.493 119.519 119.950 0.104 0.000 2.731 329 F HA 0.055 4.582 4.527 0.000 0.000 0.304 329 F C 2.128 178.000 175.800 0.120 0.000 1.133 329 F CA 0.493 58.559 58.000 0.111 0.000 1.380 329 F CB -0.102 38.957 39.000 0.099 0.000 1.079 329 F HN 0.365 nan 8.300 nan 0.000 0.550 330 Q N 0.413 120.365 119.800 0.254 0.000 2.112 330 Q HA -0.200 4.140 4.340 0.000 0.000 0.206 330 Q C 1.933 178.158 176.000 0.375 0.000 0.987 330 Q CA 2.130 58.065 55.803 0.221 0.000 0.858 330 Q CB -0.003 28.814 28.738 0.131 0.000 0.905 330 Q HN 0.314 nan 8.270 nan 0.000 0.420 331 S N -0.554 115.417 115.700 0.452 0.000 2.496 331 S HA 0.032 4.502 4.470 0.000 0.000 0.224 331 S C 1.644 176.541 174.600 0.495 0.000 0.996 331 S CA 0.484 59.037 58.200 0.587 0.000 0.927 331 S CB 0.168 63.674 63.200 0.510 0.000 0.774 331 S HN 0.614 nan 8.310 nan 0.000 0.524 332 G N 1.714 110.725 108.800 0.353 0.000 2.498 332 G HA2 -0.228 3.732 3.960 0.000 0.000 0.219 332 G HA3 -0.228 3.732 3.960 0.000 0.000 0.219 332 G C 1.201 176.219 174.900 0.196 0.000 1.119 332 G CA 0.908 46.165 45.100 0.262 0.000 0.766 332 G HN 0.547 nan 8.290 nan 0.000 0.552 333 E N -0.100 120.188 120.200 0.146 0.000 2.204 333 E HA -0.068 4.282 4.350 0.000 0.000 0.194 333 E C 1.857 178.486 176.600 0.049 0.000 0.989 333 E CA 0.521 56.888 56.400 -0.054 0.000 0.824 333 E CB -0.327 29.093 29.700 -0.467 0.000 0.756 333 E HN 0.401 nan 8.360 nan 0.000 0.477 334 F N 0.940 121.085 119.950 0.326 0.000 2.069 334 F HA -0.143 4.384 4.527 0.000 0.000 0.298 334 F C 2.583 178.452 175.800 0.115 0.000 1.113 334 F CA 1.804 59.944 58.000 0.234 0.000 1.214 334 F CB -0.621 38.447 39.000 0.114 0.000 0.978 334 F HN 0.063 nan 8.300 nan 0.000 0.474 335 R N 0.865 121.547 120.500 0.304 0.000 2.081 335 R HA -0.168 4.172 4.340 0.000 0.000 0.235 335 R C 2.243 178.618 176.300 0.125 0.000 1.131 335 R CA 1.760 57.966 56.100 0.177 0.000 0.960 335 R CB -0.667 29.720 30.300 0.145 0.000 0.856 335 R HN 0.316 nan 8.270 nan 0.000 0.436 336 I N 0.413 121.046 120.570 0.105 0.000 2.226 336 I HA -0.269 3.902 4.170 0.000 0.000 0.245 336 I C 2.511 178.663 176.117 0.058 0.000 1.100 336 I CA 1.439 62.776 61.300 0.060 0.000 1.374 336 I CB -0.222 37.796 38.000 0.030 0.000 1.057 336 I HN 0.189 nan 8.210 nan 0.000 0.413 337 R N 0.522 121.065 120.500 0.071 0.000 2.119 337 R HA 0.010 4.350 4.340 0.000 0.000 0.222 337 R C 2.430 178.784 176.300 0.091 0.000 1.088 337 R CA 1.106 57.250 56.100 0.073 0.000 0.984 337 R CB -0.304 30.040 30.300 0.073 0.000 0.884 337 R HN 0.326 nan 8.270 nan 0.000 0.447 338 A N 1.241 124.130 122.820 0.115 0.000 1.969 338 A HA -0.167 4.153 4.320 0.000 0.000 0.218 338 A C 1.766 179.391 177.584 0.068 0.000 1.169 338 A CA 1.204 53.299 52.037 0.097 0.000 0.635 338 A CB -0.221 18.842 19.000 0.105 0.000 0.810 338 A HN 0.277 nan 8.150 nan 0.000 0.445 339 E N -0.740 119.498 120.200 0.063 0.000 2.268 339 E HA -0.078 4.272 4.350 0.000 0.000 0.195 339 E C 1.628 178.251 176.600 0.038 0.000 0.995 339 E CA 1.178 57.605 56.400 0.046 0.000 0.836 339 E CB 0.013 29.738 29.700 0.042 0.000 0.763 339 E HN 0.477 nan 8.360 nan 0.000 0.491 340 V N 0.118 120.058 119.914 0.043 0.000 2.743 340 V HA 0.074 4.194 4.120 0.000 0.000 0.237 340 V C 0.868 176.985 176.094 0.039 0.000 1.113 340 V CA 0.444 62.766 62.300 0.037 0.000 1.141 340 V CB 0.105 31.950 31.823 0.037 0.000 0.873 340 V HN 0.040 nan 8.190 nan 0.000 0.486 341 L N -0.333 120.920 121.223 0.049 0.000 2.376 341 L HA 0.754 5.094 4.340 0.000 0.000 0.267 341 L C 0.810 177.710 176.870 0.051 0.000 1.035 341 L CA -0.466 54.403 54.840 0.049 0.000 0.800 341 L CB 0.204 42.298 42.059 0.058 0.000 1.290 341 L HN 0.196 nan 8.230 nan 0.000 0.462 342 G N -0.244 108.584 108.800 0.047 0.000 2.527 342 G HA2 0.066 4.026 3.960 0.000 0.000 0.248 342 G HA3 0.066 4.026 3.960 0.000 0.000 0.248 342 G C 0.627 175.561 174.900 0.056 0.000 1.231 342 G CA -0.429 44.697 45.100 0.044 0.000 0.838 342 G HN 0.835 nan 8.290 nan 0.000 0.570 343 N N 1.195 119.925 118.700 0.050 0.000 2.519 343 N HA -0.123 4.618 4.740 0.000 0.000 0.186 343 N C 1.826 177.364 175.510 0.047 0.000 1.062 343 N CA 0.345 53.428 53.050 0.056 0.000 0.910 343 N CB -0.146 38.363 38.487 0.037 0.000 0.958 343 N HN 0.430 nan 8.380 nan 0.000 0.445 344 L N 0.313 121.560 121.223 0.039 0.000 1.994 344 L HA -0.098 4.242 4.340 0.000 0.000 0.208 344 L C 2.316 179.223 176.870 0.061 0.000 1.071 344 L CA 1.725 56.587 54.840 0.038 0.000 0.745 344 L CB -0.244 41.834 42.059 0.030 0.000 0.892 344 L HN 0.129 nan 8.230 nan 0.000 0.431 345 E N 0.053 120.294 120.200 0.067 0.000 2.153 345 E HA -0.189 4.161 4.350 0.000 0.000 0.194 345 E C 2.035 178.705 176.600 0.117 0.000 0.988 345 E CA 1.219 57.668 56.400 0.081 0.000 0.811 345 E CB 0.039 29.781 29.700 0.071 0.000 0.746 345 E HN 0.557 nan 8.360 nan 0.000 0.466 346 A N 0.561 123.465 122.820 0.139 0.000 1.972 346 A HA -0.118 4.202 4.320 0.000 0.000 0.219 346 A C 2.331 180.103 177.584 0.312 0.000 1.169 346 A CA 0.967 53.142 52.037 0.229 0.000 0.635 346 A CB -0.476 18.677 19.000 0.256 0.000 0.810 346 A HN 0.242 nan 8.150 nan 0.000 0.446 347 L N -1.525 119.811 121.223 0.189 0.000 2.179 347 L HA -0.034 4.306 4.340 0.000 0.000 0.208 347 L C 2.719 179.674 176.870 0.142 0.000 1.096 347 L CA 0.599 55.523 54.840 0.141 0.000 0.779 347 L CB -0.425 41.641 42.059 0.012 0.000 0.922 347 L HN 0.293 nan 8.230 nan 0.000 0.443 348 R N 0.225 120.797 120.500 0.120 0.000 2.105 348 R HA -0.151 4.189 4.340 0.000 0.000 0.239 348 R C 2.588 178.964 176.300 0.127 0.000 1.135 348 R CA 1.741 57.905 56.100 0.107 0.000 0.967 348 R CB -0.368 29.985 30.300 0.088 0.000 0.861 348 R HN 0.477 nan 8.270 nan 0.000 0.442 349 S N -0.101 115.694 115.700 0.158 0.000 2.447 349 S HA -0.033 4.437 4.470 0.000 0.000 0.233 349 S C 1.807 176.527 174.600 0.200 0.000 1.006 349 S CA 0.976 59.279 58.200 0.172 0.000 0.957 349 S CB 0.208 63.522 63.200 0.191 0.000 0.773 349 S HN 0.322 nan 8.310 nan 0.000 0.507 350 A N 0.784 123.711 122.820 0.178 0.000 2.308 350 A HA 0.408 4.728 4.320 0.000 0.000 0.217 350 A C 1.770 179.444 177.584 0.150 0.000 1.216 350 A CA 0.704 52.803 52.037 0.103 0.000 0.864 350 A CB -0.228 18.705 19.000 -0.112 0.000 0.902 350 A HN 0.715 nan 8.150 nan 0.000 0.499 351 T N -4.437 110.199 114.554 0.136 0.000 3.349 351 T HA 0.026 4.376 4.350 0.000 0.000 0.169 351 T C 1.914 176.663 174.700 0.082 0.000 0.938 351 T CA 1.195 63.366 62.100 0.119 0.000 1.017 351 T CB -0.885 68.053 68.868 0.117 0.000 1.476 351 T HN 0.266 nan 8.240 nan 0.000 0.327 352 T N 1.296 115.895 114.554 0.075 0.000 2.777 352 T HA -0.030 4.320 4.350 0.000 0.000 0.266 352 T C 2.073 176.809 174.700 0.060 0.000 1.040 352 T CA 1.489 63.624 62.100 0.060 0.000 1.141 352 T CB -1.141 67.761 68.868 0.057 0.000 0.868 352 T HN 0.223 nan 8.240 nan 0.000 0.444 353 V N 2.138 122.099 119.914 0.078 0.000 2.453 353 V HA 0.076 4.196 4.120 0.000 0.000 0.247 353 V C 3.258 179.362 176.094 0.018 0.000 1.048 353 V CA 1.246 63.602 62.300 0.093 0.000 1.049 353 V CB -1.448 30.452 31.823 0.128 0.000 0.672 353 V HN 0.662 nan 8.190 nan 0.000 0.457 354 A N 0.413 123.248 122.820 0.024 0.000 1.898 354 A HA -0.046 4.274 4.320 0.000 0.000 0.216 354 A C 2.411 179.944 177.584 -0.085 0.000 1.181 354 A CA 1.889 53.914 52.037 -0.019 0.000 0.620 354 A CB -0.745 18.295 19.000 0.066 0.000 0.819 354 A HN 0.555 nan 8.150 nan 0.000 0.442 355 A N -0.509 122.288 122.820 -0.038 0.000 2.019 355 A HA -0.153 4.167 4.320 0.000 0.000 0.219 355 A C 1.981 179.495 177.584 -0.115 0.000 1.164 355 A CA 1.732 53.734 52.037 -0.060 0.000 0.644 355 A CB -0.432 18.567 19.000 -0.002 0.000 0.805 355 A HN 0.684 nan 8.150 nan 0.000 0.449 356 E N -0.181 119.953 120.200 -0.110 0.000 2.072 356 E HA -0.115 4.235 4.350 0.000 0.000 0.190 356 E C 1.821 178.193 176.600 -0.380 0.000 0.982 356 E CA 0.872 57.194 56.400 -0.130 0.000 0.803 356 E CB -0.195 29.523 29.700 0.030 0.000 0.755 356 E HN 0.650 nan 8.360 nan 0.000 0.453 357 I N 1.009 121.224 120.570 -0.592 0.000 2.194 357 I HA -0.244 3.926 4.170 0.000 0.000 0.246 357 I C 2.117 177.873 176.117 -0.602 0.000 1.093 357 I CA 1.256 62.038 61.300 -0.863 0.000 1.355 357 I CB -0.108 37.489 38.000 -0.672 0.000 1.046 357 I HN 0.170 nan 8.210 nan 0.000 0.413 358 V N -1.913 117.741 119.914 -0.433 0.000 3.499 358 V HA 0.239 4.359 4.120 0.000 0.000 0.308 358 V C 0.562 176.455 176.094 -0.335 0.000 1.319 358 V CA -0.180 61.840 62.300 -0.466 0.000 1.194 358 V CB -0.933 30.375 31.823 -0.859 0.000 1.072 358 V HN 0.563 nan 8.190 nan 0.000 0.426 359 N N 0.766 119.314 118.700 -0.252 0.000 2.747 359 N HA -0.166 4.574 4.740 0.000 0.000 0.249 359 N C 0.335 175.808 175.510 -0.063 0.000 1.107 359 N CA 1.361 54.335 53.050 -0.126 0.000 0.707 359 N CB -0.828 37.625 38.487 -0.057 0.000 1.054 359 N HN 0.534 nan 8.380 nan 0.000 0.555 360 M N 0.180 119.736 119.600 -0.073 0.000 2.869 360 M HA 0.121 4.601 4.480 0.000 0.000 0.353 360 M C 0.513 176.813 176.300 -0.001 0.000 1.224 360 M CA -0.237 55.058 55.300 -0.009 0.000 0.917 360 M CB 0.116 32.730 32.600 0.022 0.000 1.322 360 M HN 0.065 nan 8.290 nan 0.000 0.516 361 Q N 0.408 120.203 119.800 -0.008 0.000 2.247 361 Q HA 0.291 4.631 4.340 0.000 0.000 0.288 361 Q C 1.258 177.268 176.000 0.017 0.000 1.079 361 Q CA 1.921 57.728 55.803 0.007 0.000 0.932 361 Q CB 0.291 29.036 28.738 0.011 0.000 1.133 361 Q HN 0.775 nan 8.270 nan 0.000 0.377 362 G N 3.026 111.839 108.800 0.021 0.000 2.225 362 G HA2 -0.316 3.644 3.960 0.000 0.000 0.254 362 G HA3 -0.316 3.644 3.960 0.000 0.000 0.254 362 G C 0.745 175.660 174.900 0.025 0.000 0.988 362 G CA 0.532 45.645 45.100 0.022 0.000 0.625 362 G HN 0.587 nan 8.290 nan 0.000 0.527 363 Q N -0.526 119.292 119.800 0.030 0.000 2.387 363 Q HA 0.576 4.916 4.340 0.000 0.000 0.212 363 Q C 1.185 177.211 176.000 0.042 0.000 0.925 363 Q CA 0.921 56.747 55.803 0.038 0.000 0.901 363 Q CB 0.275 29.043 28.738 0.051 0.000 1.020 363 Q HN 0.628 nan 8.270 nan 0.000 0.545 364 L N -2.381 118.869 121.223 0.045 0.000 2.327 364 L HA 0.620 4.960 4.340 0.000 0.000 0.258 364 L C 0.528 177.422 176.870 0.041 0.000 1.024 364 L CA -0.527 54.343 54.840 0.050 0.000 0.825 364 L CB 2.108 44.215 42.059 0.079 0.000 1.386 364 L HN 0.290 nan 8.230 nan 0.000 0.417 365 G N 0.666 109.492 108.800 0.042 0.000 2.162 365 G HA2 -0.205 3.755 3.960 0.000 0.000 0.260 365 G HA3 -0.205 3.755 3.960 0.000 0.000 0.260 365 G C -0.489 174.435 174.900 0.039 0.000 0.976 365 G CA 0.298 45.428 45.100 0.050 0.000 0.655 365 G HN 0.507 nan 8.290 nan 0.000 0.533 366 V N 0.772 120.702 119.914 0.027 0.000 2.851 366 V HA 0.615 4.735 4.120 0.000 0.000 0.307 366 V C -0.288 175.812 176.094 0.010 0.000 1.129 366 V CA -1.138 61.174 62.300 0.019 0.000 0.932 366 V CB 1.736 33.572 31.823 0.021 0.000 1.024 366 V HN 0.328 nan 8.190 nan 0.000 0.426 367 I N 6.522 127.094 120.570 0.003 0.000 2.294 367 I HA 0.682 4.852 4.170 0.000 0.000 0.295 367 I C 0.393 176.513 176.117 0.006 0.000 1.098 367 I CA 0.316 61.616 61.300 -0.000 0.000 1.277 367 I CB 0.638 38.632 38.000 -0.009 0.000 1.434 367 I HN 0.773 nan 8.210 nan 0.000 0.498 368 A N 5.274 128.101 122.820 0.011 0.000 2.602 368 A HA 0.668 4.988 4.320 0.000 0.000 0.290 368 A C -0.864 176.731 177.584 0.017 0.000 1.114 368 A CA -0.561 51.485 52.037 0.015 0.000 0.683 368 A CB 1.339 20.348 19.000 0.015 0.000 1.281 368 A HN 0.209 nan 8.150 nan 0.000 0.416 369 V N 1.306 121.232 119.914 0.019 0.000 2.521 369 V HA 0.463 4.583 4.120 0.000 0.000 0.286 369 V C 1.500 177.603 176.094 0.015 0.000 1.034 369 V CA 1.896 64.207 62.300 0.018 0.000 1.045 369 V CB 0.207 32.041 31.823 0.019 0.000 0.974 369 V HN 2.314 nan 8.190 nan 0.000 0.480 370 G N 3.758 112.567 108.800 0.013 0.000 2.232 370 G HA2 -0.108 3.852 3.960 0.000 0.000 0.226 370 G HA3 -0.108 3.852 3.960 0.000 0.000 0.226 370 G C 0.459 175.368 174.900 0.015 0.000 0.996 370 G CA 0.167 45.275 45.100 0.013 0.000 0.626 370 G HN 1.391 nan 8.290 nan 0.000 0.509 371 A N 0.237 123.066 122.820 0.015 0.000 2.346 371 A HA 0.702 5.022 4.320 0.000 0.000 0.252 371 A C 0.703 178.295 177.584 0.013 0.000 1.089 371 A CA -0.009 52.038 52.037 0.016 0.000 0.797 371 A CB 0.233 19.242 19.000 0.016 0.000 1.047 371 A HN 0.810 nan 8.150 nan 0.000 0.494 372 I N 0.845 121.425 120.570 0.016 0.000 2.588 372 I HA 0.180 4.350 4.170 0.000 0.000 0.283 372 I C 1.143 177.261 176.117 0.002 0.000 1.119 372 I CA 0.079 61.386 61.300 0.012 0.000 1.419 372 I CB 1.190 39.202 38.000 0.021 0.000 1.394 372 I HN 0.672 nan 8.210 nan 0.000 0.562 373 A N 5.067 127.884 122.820 -0.006 0.000 3.052 373 A HA 0.110 4.430 4.320 0.000 0.000 0.266 373 A C -0.361 177.208 177.584 -0.026 0.000 1.855 373 A CA -0.111 51.916 52.037 -0.017 0.000 1.473 373 A CB -0.936 18.053 19.000 -0.020 0.000 1.038 373 A HN 0.608 nan 8.150 nan 0.000 0.619 374 D N 1.363 121.747 120.400 -0.026 0.000 2.485 374 D HA 0.490 5.130 4.640 0.000 0.000 0.229 374 D C -0.645 175.610 176.300 -0.075 0.000 1.101 374 D CA 0.123 54.098 54.000 -0.042 0.000 0.906 374 D CB 0.828 41.616 40.800 -0.020 0.000 1.019 374 D HN 0.136 nan 8.370 nan 0.000 0.516 375 L N 1.890 123.057 121.223 -0.093 0.000 2.354 375 L HA 0.582 4.922 4.340 0.000 0.000 0.269 375 L C -0.291 176.483 176.870 -0.160 0.000 1.005 375 L CA -1.148 53.624 54.840 -0.112 0.000 0.819 375 L CB 2.000 44.013 42.059 -0.076 0.000 1.311 375 L HN 0.001 nan 8.230 nan 0.000 0.423 376 V N 2.698 122.488 119.914 -0.208 0.000 2.540 376 V HA 0.563 4.683 4.120 0.000 0.000 0.302 376 V C -0.340 175.685 176.094 -0.114 0.000 1.035 376 V CA -0.785 61.377 62.300 -0.230 0.000 0.873 376 V CB 2.521 34.052 31.823 -0.488 0.000 0.992 376 V HN 0.432 nan 8.190 nan 0.000 0.428 377 V N 6.062 125.958 119.914 -0.031 0.000 2.370 377 V HA 0.488 4.609 4.120 0.000 0.000 0.283 377 V C -0.571 175.525 176.094 0.003 0.000 1.023 377 V CA -0.484 61.832 62.300 0.028 0.000 0.857 377 V CB 1.527 33.452 31.823 0.171 0.000 0.985 377 V HN 0.541 nan 8.190 nan 0.000 0.443 378 L N 4.250 125.465 121.223 -0.013 0.000 2.362 378 L HA 0.542 4.882 4.340 0.000 0.000 0.275 378 L C -0.341 176.515 176.870 -0.024 0.000 0.998 378 L CA -0.360 54.465 54.840 -0.026 0.000 0.820 378 L CB 1.774 43.817 42.059 -0.026 0.000 1.270 378 L HN 0.660 nan 8.230 nan 0.000 0.415 379 D N 3.047 123.429 120.400 -0.029 0.000 2.453 379 D HA 0.552 5.192 4.640 0.000 0.000 0.223 379 D C 0.261 176.546 176.300 -0.025 0.000 1.183 379 D CA 1.010 54.993 54.000 -0.027 0.000 0.933 379 D CB 0.096 40.876 40.800 -0.033 0.000 1.038 379 D HN 0.820 nan 8.370 nan 0.000 0.513 380 G N 2.794 111.578 108.800 -0.026 0.000 2.371 380 G HA2 -0.075 3.885 3.960 0.000 0.000 0.663 380 G HA3 -0.075 3.885 3.960 0.000 0.000 0.663 380 G C -1.035 173.847 174.900 -0.031 0.000 1.311 380 G CA -1.078 44.007 45.100 -0.025 0.000 0.985 380 G HN 0.550 nan 8.290 nan 0.000 0.566 381 N N 1.075 119.757 118.700 -0.029 0.000 2.511 381 N HA 0.614 5.354 4.740 0.000 0.000 0.249 381 N C -0.609 174.878 175.510 -0.038 0.000 0.971 381 N CA -1.839 51.192 53.050 -0.032 0.000 0.938 381 N CB 2.193 40.665 38.487 -0.025 0.000 1.131 381 N HN 0.200 nan 8.380 nan 0.000 0.505 382 P HA -0.120 nan 4.420 nan 0.000 0.223 382 P C 1.181 178.447 177.300 -0.057 0.000 1.151 382 P CA 0.385 63.439 63.100 -0.078 0.000 0.787 382 P CB 0.442 32.068 31.700 -0.122 0.000 0.788 383 L N -0.365 120.834 121.223 -0.039 0.000 2.362 383 L HA -0.024 4.316 4.340 0.000 0.000 0.219 383 L C 2.108 178.970 176.870 -0.013 0.000 1.134 383 L CA 1.783 56.610 54.840 -0.022 0.000 0.807 383 L CB -1.081 40.968 42.059 -0.017 0.000 0.927 383 L HN -0.049 nan 8.230 nan 0.000 0.447 384 E N -2.159 118.032 120.200 -0.015 0.000 2.399 384 E HA 0.030 4.380 4.350 0.000 0.000 0.206 384 E C -0.176 176.420 176.600 -0.006 0.000 0.812 384 E CA -0.008 56.388 56.400 -0.007 0.000 1.138 384 E CB 0.781 30.478 29.700 -0.005 0.000 1.140 384 E HN 0.150 nan 8.360 nan 0.000 0.536 385 D N 0.348 120.740 120.400 -0.013 0.000 2.453 385 D HA 0.101 4.741 4.640 0.000 0.000 0.238 385 D C 0.231 176.516 176.300 -0.025 0.000 1.088 385 D CA -0.312 53.681 54.000 -0.011 0.000 0.854 385 D CB 1.191 41.986 40.800 -0.008 0.000 1.076 385 D HN -0.040 nan 8.370 nan 0.000 0.533 386 I N 3.328 123.888 120.570 -0.016 0.000 2.916 386 I HA 0.106 4.276 4.170 0.000 0.000 0.267 386 I C 1.953 178.051 176.117 -0.032 0.000 1.263 386 I CA 0.958 62.239 61.300 -0.033 0.000 1.471 386 I CB -0.222 37.789 38.000 0.018 0.000 1.089 386 I HN 0.587 nan 8.210 nan 0.000 0.468 387 G N -0.230 108.567 108.800 -0.005 0.000 2.509 387 G HA2 -0.147 3.813 3.960 0.000 0.000 0.218 387 G HA3 -0.147 3.813 3.960 0.000 0.000 0.218 387 G C 1.624 176.520 174.900 -0.007 0.000 1.124 387 G CA 0.874 45.982 45.100 0.012 0.000 0.776 387 G HN 0.462 nan 8.290 nan 0.000 0.547 388 V N -1.400 118.492 119.914 -0.037 0.000 3.305 388 V HA 0.056 4.176 4.120 0.000 0.000 0.269 388 V C 1.988 178.043 176.094 -0.064 0.000 1.157 388 V CA 1.451 63.727 62.300 -0.040 0.000 1.157 388 V CB 0.004 31.801 31.823 -0.043 0.000 0.772 388 V HN 0.118 nan 8.190 nan 0.000 0.498 389 V N 0.014 119.849 119.914 -0.131 0.000 3.151 389 V HA 0.465 4.585 4.120 0.000 0.000 0.241 389 V C 2.372 178.417 176.094 -0.082 0.000 1.173 389 V CA 0.895 63.052 62.300 -0.238 0.000 1.154 389 V CB 0.096 31.478 31.823 -0.734 0.000 0.898 389 V HN 0.508 nan 8.190 nan 0.000 0.473 390 A N -0.379 122.449 122.820 0.013 0.000 2.462 390 A HA 0.176 4.496 4.320 0.000 0.000 0.261 390 A C 0.855 178.544 177.584 0.175 0.000 1.323 390 A CA 0.445 52.598 52.037 0.193 0.000 0.913 390 A CB -0.445 18.689 19.000 0.224 0.000 1.028 390 A HN 0.419 nan 8.150 nan 0.000 0.511 391 D N 0.270 120.746 120.400 0.127 0.000 2.738 391 D HA 0.293 4.933 4.640 0.000 0.000 0.246 391 D C 0.476 176.853 176.300 0.128 0.000 1.270 391 D CA 0.244 54.315 54.000 0.118 0.000 0.833 391 D CB -0.294 40.551 40.800 0.075 0.000 1.040 391 D HN 0.552 nan 8.370 nan 0.000 0.487 392 E N -1.181 119.124 120.200 0.175 0.000 3.931 392 E HA -0.239 4.111 4.350 0.000 0.000 0.221 392 E C 0.364 177.050 176.600 0.144 0.000 1.488 392 E CA 1.209 57.714 56.400 0.176 0.000 2.372 392 E CB -1.042 28.735 29.700 0.128 0.000 2.116 392 E HN 0.262 nan 8.360 nan 0.000 0.464 393 G N -0.291 108.580 108.800 0.119 0.000 3.316 393 G HA2 0.439 4.399 3.960 0.000 0.000 0.255 393 G HA3 0.439 4.399 3.960 0.000 0.000 0.255 393 G C 0.455 175.380 174.900 0.042 0.000 0.880 393 G CA 0.573 45.721 45.100 0.080 0.000 1.956 393 G HN 0.691 nan 8.290 nan 0.000 0.634 394 A N 1.421 124.267 122.820 0.042 0.000 1.887 394 A HA 0.247 4.567 4.320 0.000 0.000 0.212 394 A C 2.039 179.623 177.584 -0.001 0.000 1.198 394 A CA 0.421 52.471 52.037 0.021 0.000 0.628 394 A CB 0.163 19.182 19.000 0.031 0.000 0.847 394 A HN 0.380 nan 8.150 nan 0.000 0.449 395 R N -0.757 119.744 120.500 0.001 0.000 2.546 395 R HA 0.265 4.605 4.340 0.000 0.000 0.320 395 R C -0.655 175.626 176.300 -0.031 0.000 1.021 395 R CA 0.009 56.099 56.100 -0.018 0.000 1.088 395 R CB 0.900 31.193 30.300 -0.012 0.000 1.278 395 R HN 0.264 nan 8.270 nan 0.000 0.557 396 V N 1.876 121.771 119.914 -0.032 0.000 2.347 396 V HA 0.203 4.323 4.120 0.000 0.000 0.280 396 V C 0.533 176.565 176.094 -0.102 0.000 1.021 396 V CA -0.252 62.016 62.300 -0.053 0.000 0.847 396 V CB 1.415 33.217 31.823 -0.036 0.000 0.990 396 V HN 0.382 nan 8.190 nan 0.000 0.444 397 E N 5.624 125.728 120.200 -0.160 0.000 2.473 397 E HA 0.100 4.450 4.350 0.000 0.000 0.204 397 E C -0.927 175.336 176.600 -0.562 0.000 0.994 397 E CA -0.038 56.155 56.400 -0.344 0.000 0.945 397 E CB 0.482 29.933 29.700 -0.415 0.000 0.990 397 E HN 0.659 nan 8.360 nan 0.000 0.493 398 Y N 0.149 120.414 120.300 -0.058 0.000 2.442 398 Y HA 0.464 5.015 4.550 0.000 0.000 0.344 398 Y C -0.564 175.282 175.900 -0.090 0.000 0.976 398 Y CA -1.067 56.995 58.100 -0.064 0.000 1.040 398 Y CB 2.511 40.935 38.460 -0.059 0.000 1.228 398 Y HN -0.243 nan 8.280 nan 0.000 0.451 399 V N 4.932 124.896 119.914 0.083 0.000 2.483 399 V HA 0.432 4.552 4.120 0.000 0.000 0.297 399 V C -0.905 175.186 176.094 -0.006 0.000 1.027 399 V CA -0.686 61.607 62.300 -0.013 0.000 0.855 399 V CB 1.594 33.389 31.823 -0.048 0.000 0.995 399 V HN 0.496 nan 8.190 nan 0.000 0.424 400 L N 4.319 125.519 121.223 -0.037 0.000 2.307 400 L HA 0.618 4.958 4.340 0.000 0.000 0.284 400 L C -0.147 176.695 176.870 -0.046 0.000 1.023 400 L CA 0.248 55.064 54.840 -0.039 0.000 0.810 400 L CB 1.697 43.726 42.059 -0.049 0.000 1.231 400 L HN 0.696 nan 8.230 nan 0.000 0.423 401 Q N 3.056 122.835 119.800 -0.035 0.000 2.321 401 Q HA 0.437 4.777 4.340 0.000 0.000 0.270 401 Q C -0.553 175.429 176.000 -0.029 0.000 1.032 401 Q CA -0.754 55.029 55.803 -0.033 0.000 0.784 401 Q CB 1.276 29.996 28.738 -0.030 0.000 1.264 401 Q HN 0.410 nan 8.270 nan 0.000 0.448 402 R N 2.759 123.244 120.500 -0.026 0.000 3.184 402 R HA -0.337 4.003 4.340 0.000 0.000 0.242 402 R C 0.636 176.922 176.300 -0.023 0.000 0.907 402 R CA 0.807 56.893 56.100 -0.022 0.000 0.618 402 R CB -1.845 28.439 30.300 -0.026 0.000 1.016 402 R HN 1.167 nan 8.270 nan 0.000 0.469 403 G N -1.422 107.363 108.800 -0.025 0.000 2.579 403 G HA2 -0.401 3.559 3.960 0.000 0.000 0.222 403 G HA3 -0.401 3.559 3.960 0.000 0.000 0.222 403 G C 0.258 175.140 174.900 -0.030 0.000 1.201 403 G CA 0.580 45.664 45.100 -0.026 0.000 0.710 403 G HN 0.749 nan 8.290 nan 0.000 0.516 404 T N 0.501 115.038 114.554 -0.028 0.000 2.899 404 T HA 0.624 4.974 4.350 0.000 0.000 0.284 404 T C 0.203 174.888 174.700 -0.026 0.000 1.004 404 T CA 0.176 62.259 62.100 -0.027 0.000 1.043 404 T CB 1.588 70.442 68.868 -0.023 0.000 1.013 404 T HN 1.323 nan 8.240 nan 0.000 0.518 405 L N 4.725 125.935 121.223 -0.022 0.000 2.276 405 L HA 0.522 4.862 4.340 0.000 0.000 0.286 405 L C 0.377 177.252 176.870 0.007 0.000 1.061 405 L CA 0.017 54.853 54.840 -0.006 0.000 0.807 405 L CB 1.125 43.179 42.059 -0.007 0.000 1.177 405 L HN 0.635 nan 8.230 nan 0.000 0.429 406 V N 2.176 122.097 119.914 0.012 0.000 3.572 406 V HA 0.383 4.503 4.120 0.000 0.000 0.260 406 V C 0.357 176.460 176.094 0.014 0.000 1.324 406 V CA 0.065 62.369 62.300 0.006 0.000 1.068 406 V CB -0.377 31.441 31.823 -0.007 0.000 0.837 406 V HN 0.612 nan 8.190 nan 0.000 0.450 407 K N 1.742 122.160 120.400 0.029 0.000 2.443 407 K HA 0.574 4.894 4.320 0.000 0.000 0.252 407 K C -1.071 175.556 176.600 0.045 0.000 0.933 407 K CA -0.352 55.947 56.287 0.020 0.000 0.792 407 K CB 3.003 35.502 32.500 -0.002 0.000 1.185 407 K HN 0.151 nan 8.250 nan 0.000 0.425 408 R N 3.199 123.704 120.500 0.008 0.000 2.435 408 R HA 0.269 4.609 4.340 0.000 0.000 0.308 408 R C -0.778 175.447 176.300 -0.125 0.000 0.975 408 R CA -0.150 55.920 56.100 -0.051 0.000 0.867 408 R CB 1.024 31.356 30.300 0.053 0.000 1.171 408 R HN 0.675 nan 8.270 nan 0.000 0.470 409 Q N 0.000 119.660 119.800 -0.233 0.000 2.315 409 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 409 Q CA 0.000 55.705 55.803 -0.163 0.000 1.022 409 Q CB 0.000 28.663 28.738 -0.124 0.000 1.108 409 Q HN 0.000 nan 8.270 nan 0.000 0.481