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 2gag_1_B DATA FIRST_RESID 3 DATA SEQUENCE DLLPEHPEFL WANPEPKKSY DAIIVGGGGH GLATAYFLAK NHGITNVAVL DATA SEQUENCE EKGWLAGGNM ARNTTIIRSN YLWDESAGIY EKSLKLWEQL PEDLEYDFLF DATA SEQUENCE SQRGVLNLAH TLGDVRESVR RVEANKLNGV DAEWLDPSQV KEACPIINTS DATA SEQUENCE DDIRYPVMGA TWQPRAGIAK HDHVAWAFAR KANEMGVDII QNCEVTGFIK DATA SEQUENCE DGEKVTGVKT TRGTIHAGKV ALAGAGHSSV LAEMAGFELP IQSHPLQALV DATA SEQUENCE SELFEPVHPT VVMSNHIHVY VSQAHKGELV MGAGIDSYNG YGQRGAFHVI DATA SEQUENCE QEQMAAAVEL FPIFARAHVL RTWGGIVDTT MDASPIISKT PIQNLYVNCG DATA SEQUENCE WGTGGFKGTP GAGFTLAHTI ANDEPHELNK PFSLERFETG HLIDEHGAAA DATA SEQUENCE VAH 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 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.301 176.300 0.001 0.000 2.045 3 D CA 0.000 53.992 54.000 -0.013 0.000 0.868 3 D CB 0.000 40.794 40.800 -0.011 0.000 0.688 4 L N 2.697 123.929 121.223 0.015 0.000 2.615 4 L HA 0.007 4.308 4.340 -0.065 0.000 0.284 4 L C -0.274 176.628 176.870 0.054 0.000 1.237 4 L CA 0.614 55.468 54.840 0.023 0.000 0.905 4 L CB 0.127 42.195 42.059 0.015 0.000 1.149 4 L HN 0.056 nan 8.230 nan 0.000 0.499 5 L N 6.594 127.849 121.223 0.054 0.000 2.343 5 L HA 0.509 4.810 4.340 -0.065 0.000 0.275 5 L C -1.679 175.204 176.870 0.023 0.000 1.056 5 L CA -1.654 53.243 54.840 0.095 0.000 0.804 5 L CB -0.089 42.036 42.059 0.110 0.000 1.203 5 L HN 0.523 nan 8.230 nan 0.000 0.440 6 P HA 0.057 nan 4.420 nan 0.000 0.266 6 P C -0.686 176.506 177.300 -0.179 0.000 1.195 6 P CA -0.332 62.732 63.100 -0.060 0.000 0.768 6 P CB 0.326 32.004 31.700 -0.036 0.000 0.838 7 E N 2.485 122.578 120.200 -0.179 0.000 2.343 7 E HA 0.150 4.461 4.350 -0.065 0.000 0.269 7 E C -0.297 176.127 176.600 -0.292 0.000 1.047 7 E CA -0.740 55.518 56.400 -0.236 0.000 0.874 7 E CB 0.505 30.132 29.700 -0.121 0.000 1.033 7 E HN 0.460 nan 8.360 nan 0.000 0.409 8 H N 1.402 120.422 119.070 -0.083 0.000 2.547 8 H HA 0.232 4.750 4.556 -0.064 0.000 0.362 8 H C -1.855 173.371 175.328 -0.170 0.000 1.181 8 H CA -1.887 54.084 56.048 -0.129 0.000 1.376 8 H CB 0.124 29.878 29.762 -0.013 0.000 1.488 8 H HN 0.464 nan 8.280 nan 0.000 0.583 9 P HA -0.009 nan 4.420 nan 0.000 0.267 9 P C 0.598 177.868 177.300 -0.050 0.000 1.200 9 P CA 0.183 63.231 63.100 -0.087 0.000 0.772 9 P CB 0.853 32.505 31.700 -0.079 0.000 0.855 10 E N 0.412 120.602 120.200 -0.017 0.000 2.347 10 E HA -0.032 4.278 4.350 -0.065 0.000 0.196 10 E C -0.002 176.622 176.600 0.040 0.000 1.008 10 E CA 0.674 57.071 56.400 -0.005 0.000 0.852 10 E CB 0.005 29.711 29.700 0.010 0.000 0.783 10 E HN 0.341 nan 8.360 nan 0.000 0.505 11 F N 0.235 120.118 119.950 -0.112 0.000 2.539 11 F HA 0.285 4.773 4.527 -0.065 0.000 0.318 11 F C -0.043 175.678 175.800 -0.131 0.000 1.135 11 F CA -0.718 57.203 58.000 -0.131 0.000 0.915 11 F CB 1.014 39.971 39.000 -0.073 0.000 1.176 11 F HN -0.272 nan 8.300 nan 0.000 0.440 12 L N 3.184 123.773 121.223 -1.057 0.000 2.590 12 L HA 0.331 4.632 4.340 -0.065 0.000 0.181 12 L C -0.908 175.482 176.870 -0.800 0.000 1.134 12 L CA 0.087 54.445 54.840 -0.803 0.000 0.850 12 L CB 0.308 41.736 42.059 -1.052 0.000 1.172 12 L HN 0.695 nan 8.230 nan 0.000 0.498 13 W N -1.700 119.032 121.300 -0.947 0.000 3.025 13 W HA 0.745 5.369 4.660 -0.059 0.000 0.343 13 W C -1.158 175.184 176.519 -0.295 0.000 1.246 13 W CA -1.507 55.507 57.345 -0.550 0.000 1.178 13 W CB 0.375 29.713 29.460 -0.203 0.000 1.463 13 W HN -0.114 nan 8.180 nan 0.000 0.578 14 A N 1.135 124.195 122.820 0.400 0.000 2.282 14 A HA 0.665 4.946 4.320 -0.065 0.000 0.319 14 A C -0.734 177.067 177.584 0.361 0.000 1.121 14 A CA -0.937 51.334 52.037 0.389 0.000 0.836 14 A CB 0.435 19.645 19.000 0.350 0.000 1.146 14 A HN 0.721 nan 8.150 nan 0.000 0.494 15 N N 1.596 120.454 118.700 0.263 0.000 2.886 15 N HA 0.308 5.008 4.740 -0.065 0.000 0.285 15 N C -2.595 172.997 175.510 0.136 0.000 1.706 15 N CA -0.847 52.323 53.050 0.201 0.000 0.904 15 N CB 0.880 39.483 38.487 0.192 0.000 1.224 15 N HN 0.591 nan 8.380 nan 0.000 0.488 16 P HA 0.162 nan 4.420 nan 0.000 0.274 16 P C -0.356 176.999 177.300 0.091 0.000 1.246 16 P CA -0.156 63.009 63.100 0.108 0.000 0.795 16 P CB 1.183 32.956 31.700 0.122 0.000 1.006 17 E N 1.607 121.856 120.200 0.081 0.000 2.366 17 E HA 0.202 4.513 4.350 -0.065 0.000 0.266 17 E C -1.811 174.848 176.600 0.098 0.000 1.051 17 E CA -1.516 54.928 56.400 0.072 0.000 0.884 17 E CB -0.080 29.653 29.700 0.056 0.000 1.006 17 E HN 0.423 nan 8.360 nan 0.000 0.417 18 P HA 0.063 nan 4.420 nan 0.000 0.271 18 P C -0.398 176.998 177.300 0.160 0.000 1.216 18 P CA 0.083 63.288 63.100 0.176 0.000 0.776 18 P CB 0.951 32.730 31.700 0.132 0.000 0.881 19 K N 1.627 122.142 120.400 0.191 0.000 2.118 19 K HA 0.155 4.436 4.320 -0.065 0.000 0.240 19 K C 1.564 178.159 176.600 -0.009 0.000 1.035 19 K CA -0.531 55.728 56.287 -0.047 0.000 0.899 19 K CB 0.578 32.839 32.500 -0.398 0.000 1.085 19 K HN 0.297 nan 8.250 nan 0.000 0.498 20 K N 0.267 120.635 120.400 -0.053 0.000 2.217 20 K HA -0.055 4.226 4.320 -0.065 0.000 0.202 20 K C 0.624 177.258 176.600 0.057 0.000 1.051 20 K CA 0.811 57.113 56.287 0.025 0.000 0.952 20 K CB 0.137 32.645 32.500 0.015 0.000 0.736 20 K HN 0.637 nan 8.250 nan 0.000 0.453 21 S N -1.345 114.300 115.700 -0.091 0.000 2.615 21 S HA 0.545 4.976 4.470 -0.065 0.000 0.269 21 S C -1.448 172.971 174.600 -0.302 0.000 1.161 21 S CA -1.077 57.112 58.200 -0.018 0.000 0.817 21 S CB 1.027 64.249 63.200 0.036 0.000 1.131 21 S HN 0.081 nan 8.310 nan 0.000 0.467 22 Y N -0.374 119.959 120.300 0.054 0.000 2.655 22 Y HA 0.436 4.947 4.550 -0.065 0.000 0.336 22 Y C 0.455 176.379 175.900 0.040 0.000 1.154 22 Y CA -0.952 57.171 58.100 0.039 0.000 1.055 22 Y CB 1.092 39.572 38.460 0.033 0.000 1.295 22 Y HN 0.623 nan 8.280 nan 0.000 0.465 23 D N 0.702 121.221 120.400 0.198 0.000 2.149 23 D HA 0.169 4.770 4.640 -0.065 0.000 0.201 23 D C 0.053 176.425 176.300 0.119 0.000 0.972 23 D CA 1.384 55.455 54.000 0.118 0.000 0.835 23 D CB 0.198 41.046 40.800 0.079 0.000 0.966 23 D HN 0.473 nan 8.370 nan 0.000 0.476 24 A N -0.254 122.644 122.820 0.130 0.000 2.515 24 A HA 0.676 4.956 4.320 -0.065 0.000 0.298 24 A C -1.138 176.472 177.584 0.043 0.000 1.059 24 A CA -0.551 51.536 52.037 0.083 0.000 0.698 24 A CB 1.516 20.536 19.000 0.034 0.000 1.289 24 A HN 0.024 nan 8.150 nan 0.000 0.404 25 I N 1.977 122.568 120.570 0.036 0.000 2.465 25 I HA 0.412 4.543 4.170 -0.065 0.000 0.291 25 I C -0.963 175.154 176.117 -0.000 0.000 1.014 25 I CA -0.423 60.860 61.300 -0.027 0.000 1.093 25 I CB 1.823 39.827 38.000 0.005 0.000 1.267 25 I HN 0.508 nan 8.210 nan 0.000 0.431 26 I N 6.773 127.315 120.570 -0.046 0.000 2.362 26 I HA 0.288 4.419 4.170 -0.065 0.000 0.289 26 I C -0.453 175.648 176.117 -0.027 0.000 0.994 26 I CA -0.842 60.447 61.300 -0.018 0.000 1.158 26 I CB 1.793 39.767 38.000 -0.043 0.000 1.315 26 I HN 0.153 nan 8.210 nan 0.000 0.451 27 V N 5.743 125.670 119.914 0.023 0.000 2.334 27 V HA 0.722 4.803 4.120 -0.065 0.000 0.267 27 V C 0.515 176.606 176.094 -0.006 0.000 1.040 27 V CA -0.300 62.007 62.300 0.011 0.000 0.866 27 V CB 0.414 32.288 31.823 0.086 0.000 1.019 27 V HN 1.056 nan 8.190 nan 0.000 0.468 28 G N 3.371 112.136 108.800 -0.058 0.000 3.162 28 G HA2 0.213 4.134 3.960 -0.065 0.000 0.599 28 G HA3 0.213 4.134 3.960 -0.065 0.000 0.599 28 G C 0.036 174.873 174.900 -0.105 0.000 1.335 28 G CA -0.510 44.543 45.100 -0.079 0.000 1.091 28 G HN 1.076 nan 8.290 nan 0.000 0.570 29 G N 0.625 109.340 108.800 -0.142 0.000 3.782 29 G HA2 0.636 4.557 3.960 -0.065 0.000 0.288 29 G HA3 0.636 4.557 3.960 -0.065 0.000 0.288 29 G C 0.878 175.682 174.900 -0.160 0.000 1.300 29 G CA 0.880 45.884 45.100 -0.159 0.000 1.261 29 G HN 1.162 nan 8.290 nan 0.000 0.591 30 G N -0.412 108.300 108.800 -0.146 0.000 2.531 30 G HA2 0.436 4.357 3.960 -0.065 0.000 0.281 30 G HA3 0.436 4.357 3.960 -0.065 0.000 0.281 30 G C 1.296 176.120 174.900 -0.128 0.000 1.382 30 G CA 0.109 45.120 45.100 -0.149 0.000 1.045 30 G HN 0.235 nan 8.290 nan 0.000 0.533 31 G N -1.569 107.163 108.800 -0.114 0.000 2.422 31 G HA2 -0.170 3.751 3.960 -0.065 0.000 0.218 31 G HA3 -0.170 3.751 3.960 -0.065 0.000 0.218 31 G C 1.401 176.212 174.900 -0.149 0.000 1.146 31 G CA 1.140 46.176 45.100 -0.107 0.000 0.769 31 G HN 0.711 nan 8.290 nan 0.000 0.547 32 H N -0.096 118.791 119.070 -0.304 0.000 2.363 32 H HA -0.007 4.510 4.556 -0.065 0.000 0.301 32 H C 2.947 178.126 175.328 -0.248 0.000 1.074 32 H CA 0.340 56.192 56.048 -0.328 0.000 1.354 32 H CB 0.060 29.641 29.762 -0.302 0.000 1.397 32 H HN 0.425 nan 8.280 nan 0.000 0.516 33 G N 1.030 109.796 108.800 -0.057 0.000 2.402 33 G HA2 -0.194 3.727 3.960 -0.065 0.000 0.216 33 G HA3 -0.194 3.727 3.960 -0.065 0.000 0.216 33 G C 1.597 176.427 174.900 -0.117 0.000 1.162 33 G CA 0.266 45.321 45.100 -0.075 0.000 0.777 33 G HN 0.095 nan 8.290 nan 0.000 0.539 34 L N 1.364 122.492 121.223 -0.159 0.000 2.017 34 L HA 0.118 4.419 4.340 -0.065 0.000 0.208 34 L C 3.244 179.966 176.870 -0.246 0.000 1.073 34 L CA 1.642 56.389 54.840 -0.155 0.000 0.745 34 L CB -1.186 40.800 42.059 -0.121 0.000 0.894 34 L HN 0.295 nan 8.230 nan 0.000 0.432 35 A N -1.670 120.808 122.820 -0.571 0.000 1.933 35 A HA -0.192 4.089 4.320 -0.065 0.000 0.218 35 A C 2.319 179.838 177.584 -0.108 0.000 1.175 35 A CA 2.165 53.722 52.037 -0.801 0.000 0.628 35 A CB -0.900 17.452 19.000 -1.080 0.000 0.814 35 A HN 0.442 nan 8.150 nan 0.000 0.444 36 T N 0.279 114.778 114.554 -0.092 0.000 2.746 36 T HA -0.013 4.297 4.350 -0.065 0.000 0.267 36 T C 2.221 176.937 174.700 0.028 0.000 1.039 36 T CA 1.540 63.644 62.100 0.006 0.000 1.142 36 T CB -0.414 68.425 68.868 -0.048 0.000 0.866 36 T HN 0.591 nan 8.240 nan 0.000 0.444 37 A N 0.563 123.380 122.820 -0.004 0.000 1.902 37 A HA -0.078 4.203 4.320 -0.065 0.000 0.217 37 A C 2.076 179.683 177.584 0.039 0.000 1.181 37 A CA 1.521 53.561 52.037 0.006 0.000 0.623 37 A CB -0.984 18.010 19.000 -0.009 0.000 0.818 37 A HN 0.589 nan 8.150 nan 0.000 0.443 38 Y N -0.380 119.881 120.300 -0.066 0.000 2.070 38 Y HA -0.233 4.277 4.550 -0.067 0.000 0.280 38 Y C 1.893 177.717 175.900 -0.126 0.000 1.148 38 Y CA 2.052 60.090 58.100 -0.103 0.000 1.125 38 Y CB -0.671 37.714 38.460 -0.125 0.000 0.975 38 Y HN 0.251 nan 8.280 nan 0.000 0.492 39 F N -0.067 119.844 119.950 -0.066 0.000 2.333 39 F HA -0.166 4.321 4.527 -0.067 0.000 0.300 39 F C 2.275 178.036 175.800 -0.065 0.000 1.083 39 F CA 1.034 58.952 58.000 -0.136 0.000 1.395 39 F CB -0.699 38.321 39.000 0.034 0.000 1.056 39 F HN 0.116 nan 8.300 nan 0.000 0.529 40 L N -0.850 120.434 121.223 0.103 0.000 2.046 40 L HA -0.219 4.082 4.340 -0.065 0.000 0.208 40 L C 2.623 179.523 176.870 0.049 0.000 1.077 40 L CA 1.288 56.179 54.840 0.085 0.000 0.747 40 L CB -0.728 41.328 42.059 -0.005 0.000 0.896 40 L HN 0.166 nan 8.230 nan 0.000 0.432 41 A N -0.833 121.958 122.820 -0.050 0.000 1.874 41 A HA -0.152 4.128 4.320 -0.065 0.000 0.214 41 A C 2.342 179.847 177.584 -0.132 0.000 1.189 41 A CA 1.069 53.063 52.037 -0.073 0.000 0.615 41 A CB -0.320 18.638 19.000 -0.070 0.000 0.830 41 A HN 0.103 nan 8.150 nan 0.000 0.443 42 K N -0.010 120.211 120.400 -0.297 0.000 2.148 42 K HA -0.092 4.189 4.320 -0.065 0.000 0.204 42 K C 0.681 177.186 176.600 -0.158 0.000 1.050 42 K CA 1.508 57.610 56.287 -0.309 0.000 0.942 42 K CB -0.193 31.891 32.500 -0.693 0.000 0.724 42 K HN 0.450 nan 8.250 nan 0.000 0.446 43 N N -0.944 117.673 118.700 -0.138 0.000 2.273 43 N HA 0.027 4.728 4.740 -0.065 0.000 0.192 43 N C 0.243 175.435 175.510 -0.530 0.000 1.132 43 N CA 0.412 53.293 53.050 -0.281 0.000 0.887 43 N CB 0.411 38.693 38.487 -0.340 0.000 1.048 43 N HN 0.288 nan 8.380 nan 0.000 0.490 44 H N -1.655 117.375 119.070 -0.067 0.000 3.078 44 H HA 0.376 4.894 4.556 -0.064 0.000 0.263 44 H C 0.968 176.259 175.328 -0.061 0.000 1.177 44 H CA 0.162 56.163 56.048 -0.079 0.000 1.128 44 H CB 0.654 30.347 29.762 -0.115 0.000 1.623 44 H HN 0.088 nan 8.280 nan 0.000 0.592 45 G N 1.461 110.273 108.800 0.020 0.000 2.233 45 G HA2 -0.314 3.607 3.960 -0.065 0.000 0.270 45 G HA3 -0.314 3.607 3.960 -0.065 0.000 0.270 45 G C 0.023 174.936 174.900 0.022 0.000 1.011 45 G CA 0.447 45.553 45.100 0.010 0.000 0.762 45 G HN 0.421 nan 8.290 nan 0.000 0.511 46 I N 1.421 122.011 120.570 0.032 0.000 2.306 46 I HA 0.341 4.471 4.170 -0.065 0.000 0.288 46 I C 1.453 177.586 176.117 0.025 0.000 1.036 46 I CA 0.226 61.541 61.300 0.024 0.000 1.221 46 I CB 1.339 39.343 38.000 0.006 0.000 1.385 46 I HN 0.230 nan 8.210 nan 0.000 0.472 47 T N 0.312 114.888 114.554 0.037 0.000 2.959 47 T HA 0.054 4.365 4.350 -0.065 0.000 0.254 47 T C 0.903 175.654 174.700 0.086 0.000 1.003 47 T CA -0.172 61.958 62.100 0.049 0.000 0.950 47 T CB -0.130 68.764 68.868 0.044 0.000 1.090 47 T HN 0.355 nan 8.240 nan 0.000 0.503 48 N N 2.172 120.931 118.700 0.098 0.000 2.971 48 N HA 0.285 4.985 4.740 -0.065 0.000 0.294 48 N C -1.095 174.562 175.510 0.246 0.000 1.210 48 N CA -0.009 53.140 53.050 0.166 0.000 1.157 48 N CB -0.410 38.141 38.487 0.106 0.000 1.450 48 N HN 0.275 nan 8.380 nan 0.000 0.527 49 V N 0.508 120.548 119.914 0.210 0.000 2.962 49 V HA 0.865 4.946 4.120 -0.065 0.000 0.313 49 V C -0.363 175.618 176.094 -0.188 0.000 1.099 49 V CA -1.162 61.170 62.300 0.053 0.000 0.971 49 V CB 1.725 33.551 31.823 0.004 0.000 1.028 49 V HN 0.509 nan 8.190 nan 0.000 0.430 50 A N 2.565 125.092 122.820 -0.488 0.000 2.371 50 A HA 0.862 5.143 4.320 -0.065 0.000 0.311 50 A C -1.196 176.186 177.584 -0.336 0.000 1.068 50 A CA -0.556 51.081 52.037 -0.666 0.000 0.744 50 A CB 1.853 19.999 19.000 -1.424 0.000 1.239 50 A HN 0.679 nan 8.150 nan 0.000 0.435 51 V N 3.830 123.597 119.914 -0.246 0.000 2.357 51 V HA 0.343 4.424 4.120 -0.065 0.000 0.284 51 V C -0.343 175.646 176.094 -0.176 0.000 1.018 51 V CA -0.188 62.007 62.300 -0.176 0.000 0.841 51 V CB 0.946 32.676 31.823 -0.155 0.000 0.991 51 V HN 0.731 nan 8.190 nan 0.000 0.437 52 L N 4.404 125.537 121.223 -0.149 0.000 2.282 52 L HA 0.704 5.005 4.340 -0.065 0.000 0.288 52 L C -0.221 176.573 176.870 -0.126 0.000 1.033 52 L CA -0.413 54.347 54.840 -0.133 0.000 0.807 52 L CB 1.576 43.563 42.059 -0.119 0.000 1.209 52 L HN 0.583 nan 8.230 nan 0.000 0.423 53 E N 2.597 122.720 120.200 -0.128 0.000 2.246 53 E HA 0.199 4.510 4.350 -0.065 0.000 0.266 53 E C 0.287 176.816 176.600 -0.119 0.000 0.880 53 E CA -0.782 55.535 56.400 -0.138 0.000 0.762 53 E CB 1.591 31.198 29.700 -0.156 0.000 1.180 53 E HN 0.530 nan 8.360 nan 0.000 0.416 54 K N 2.409 122.727 120.400 -0.137 0.000 2.148 54 K HA 0.089 4.369 4.320 -0.065 0.000 0.204 54 K C 0.890 177.442 176.600 -0.080 0.000 1.050 54 K CA 1.153 57.370 56.287 -0.116 0.000 0.942 54 K CB 0.195 32.605 32.500 -0.151 0.000 0.724 54 K HN 0.364 nan 8.250 nan 0.000 0.446 55 G N 1.158 109.897 108.800 -0.102 0.000 3.407 55 G HA2 0.244 4.165 3.960 -0.065 0.000 0.187 55 G HA3 0.244 4.165 3.960 -0.065 0.000 0.187 55 G C -1.031 173.902 174.900 0.056 0.000 1.262 55 G CA -0.549 44.540 45.100 -0.019 0.000 0.808 55 G HN 0.352 nan 8.290 nan 0.000 0.687 56 W N 0.414 121.705 121.300 -0.015 0.000 2.376 56 W HA 0.663 5.285 4.660 -0.064 0.000 0.322 56 W C -0.686 175.825 176.519 -0.013 0.000 1.160 56 W CA -1.860 55.487 57.345 0.004 0.000 1.218 56 W CB 0.457 29.943 29.460 0.044 0.000 1.205 56 W HN 0.200 nan 8.180 nan 0.000 0.559 57 L N 4.185 125.484 121.223 0.128 0.000 2.578 57 L HA 0.156 4.457 4.340 -0.065 0.000 0.279 57 L C 1.297 178.187 176.870 0.033 0.000 1.227 57 L CA 1.779 56.592 54.840 -0.044 0.000 0.900 57 L CB 0.162 42.074 42.059 -0.244 0.000 1.144 57 L HN 0.912 nan 8.230 nan 0.000 0.496 58 A N 3.165 125.906 122.820 -0.132 0.000 2.832 58 A HA -0.188 4.093 4.320 -0.065 0.000 0.280 58 A C 1.301 178.677 177.584 -0.347 0.000 1.464 58 A CA 1.073 53.023 52.037 -0.145 0.000 0.804 58 A CB -2.302 16.711 19.000 0.023 0.000 1.020 58 A HN 1.264 nan 8.150 nan 0.000 0.563 59 G N -1.215 107.087 108.800 -0.829 0.000 3.189 59 G HA2 0.468 4.389 3.960 -0.065 0.000 0.225 59 G HA3 0.468 4.389 3.960 -0.065 0.000 0.225 59 G C 0.860 175.224 174.900 -0.893 0.000 1.159 59 G CA 1.042 45.086 45.100 -1.760 0.000 0.763 59 G HN 1.309 nan 8.290 nan 0.000 0.549 60 G N 0.593 109.086 108.800 -0.511 0.000 2.928 60 G HA2 0.063 3.984 3.960 -0.065 0.000 0.163 60 G HA3 0.063 3.984 3.960 -0.065 0.000 0.163 60 G C 0.951 175.731 174.900 -0.200 0.000 1.573 60 G CA -0.143 44.789 45.100 -0.280 0.000 1.084 60 G HN 0.287 nan 8.290 nan 0.000 0.569 61 N N -0.699 117.925 118.700 -0.126 0.000 2.364 61 N HA -0.129 4.572 4.740 -0.065 0.000 0.183 61 N C 2.074 177.502 175.510 -0.137 0.000 1.022 61 N CA 0.689 53.688 53.050 -0.084 0.000 0.883 61 N CB -0.113 38.344 38.487 -0.051 0.000 0.965 61 N HN 0.221 nan 8.380 nan 0.000 0.438 62 M N 0.921 120.418 119.600 -0.171 0.000 2.267 62 M HA -0.029 4.412 4.480 -0.065 0.000 0.263 62 M C 1.470 177.530 176.300 -0.401 0.000 1.063 62 M CA 1.022 56.223 55.300 -0.165 0.000 1.090 62 M CB -0.100 32.424 32.600 -0.126 0.000 1.392 62 M HN 0.107 nan 8.290 nan 0.000 0.422 63 A N -1.156 121.402 122.820 -0.437 0.000 2.345 63 A HA 0.232 4.513 4.320 -0.065 0.000 0.225 63 A C 1.615 178.794 177.584 -0.674 0.000 1.243 63 A CA -0.034 51.628 52.037 -0.625 0.000 0.875 63 A CB -0.248 18.611 19.000 -0.235 0.000 0.929 63 A HN 0.566 nan 8.150 nan 0.000 0.502 64 R N -0.158 120.102 120.500 -0.400 0.000 2.531 64 R HA 0.099 4.400 4.340 -0.065 0.000 0.316 64 R C -0.137 176.364 176.300 0.336 0.000 0.955 64 R CA 0.202 56.318 56.100 0.026 0.000 1.120 64 R CB 0.103 30.516 30.300 0.188 0.000 1.361 64 R HN 0.639 nan 8.270 nan 0.000 0.534 65 N N 0.174 118.926 118.700 0.086 0.000 2.408 65 N HA -0.009 4.692 4.740 -0.065 0.000 0.260 65 N C 0.646 176.256 175.510 0.166 0.000 1.242 65 N CA -0.171 52.940 53.050 0.101 0.000 0.959 65 N CB 0.556 38.990 38.487 -0.088 0.000 1.201 65 N HN -0.103 nan 8.380 nan 0.000 0.511 66 T N -4.989 109.617 114.554 0.086 0.000 3.235 66 T HA 0.053 4.364 4.350 -0.065 0.000 0.251 66 T C 0.753 175.421 174.700 -0.052 0.000 1.060 66 T CA 0.119 62.272 62.100 0.088 0.000 0.949 66 T CB -1.547 67.425 68.868 0.174 0.000 1.020 66 T HN 1.026 nan 8.240 nan 0.000 0.564 67 T N -0.429 113.971 114.554 -0.257 0.000 6.500 67 T HA -0.241 4.070 4.350 -0.065 0.000 0.302 67 T C 0.154 174.875 174.700 0.036 0.000 1.706 67 T CA 0.740 62.621 62.100 -0.364 0.000 2.745 67 T CB -2.817 65.874 68.868 -0.294 0.000 2.168 67 T HN 0.706 nan 8.240 nan 0.000 1.110 68 I N 1.358 121.966 120.570 0.063 0.000 2.533 68 I HA 0.431 4.562 4.170 -0.065 0.000 0.284 68 I C 0.819 177.007 176.117 0.119 0.000 1.109 68 I CA -0.261 61.077 61.300 0.063 0.000 1.412 68 I CB 0.595 38.595 38.000 -0.000 0.000 1.396 68 I HN 0.315 nan 8.210 nan 0.000 0.543 69 I N 7.890 128.467 120.570 0.012 0.000 2.433 69 I HA 0.570 4.701 4.170 -0.065 0.000 0.292 69 I C -0.049 176.049 176.117 -0.032 0.000 1.001 69 I CA -0.481 60.774 61.300 -0.075 0.000 1.119 69 I CB 1.301 39.078 38.000 -0.372 0.000 1.289 69 I HN 0.684 nan 8.210 nan 0.000 0.438 70 R N 2.603 123.126 120.500 0.039 0.000 2.780 70 R HA 0.487 4.788 4.340 -0.065 0.000 0.280 70 R C -1.050 175.332 176.300 0.137 0.000 1.016 70 R CA -0.676 55.453 56.100 0.049 0.000 0.854 70 R CB 1.127 31.430 30.300 0.004 0.000 1.293 70 R HN 0.486 nan 8.270 nan 0.000 0.483 71 S N -1.109 114.677 115.700 0.143 0.000 3.082 71 S HA 0.061 4.492 4.470 -0.065 0.000 0.253 71 S C -0.334 174.422 174.600 0.261 0.000 0.961 71 S CA -0.598 57.746 58.200 0.240 0.000 1.129 71 S CB -0.344 63.002 63.200 0.242 0.000 1.083 71 S HN 0.671 nan 8.310 nan 0.000 0.605 72 N N 1.798 120.588 118.700 0.149 0.000 3.050 72 N HA 0.163 4.864 4.740 -0.065 0.000 0.289 72 N C -1.096 174.417 175.510 0.005 0.000 1.209 72 N CA -0.118 52.979 53.050 0.079 0.000 1.154 72 N CB -0.620 37.867 38.487 0.001 0.000 1.444 72 N HN 0.389 nan 8.380 nan 0.000 0.529 73 Y N -0.092 120.226 120.300 0.030 0.000 2.534 73 Y HA 0.265 4.776 4.550 -0.065 0.000 0.329 73 Y C 1.232 177.219 175.900 0.145 0.000 1.154 73 Y CA -1.163 56.981 58.100 0.073 0.000 1.192 73 Y CB 1.336 39.852 38.460 0.095 0.000 1.275 73 Y HN 0.138 nan 8.280 nan 0.000 0.491 74 L N 0.382 121.800 121.223 0.324 0.000 2.095 74 L HA 0.120 4.421 4.340 -0.065 0.000 0.204 74 L C -0.101 176.914 176.870 0.241 0.000 1.080 74 L CA 1.001 55.989 54.840 0.247 0.000 0.759 74 L CB -0.216 41.984 42.059 0.235 0.000 0.914 74 L HN 0.533 nan 8.230 nan 0.000 0.439 75 W N 0.963 122.359 121.300 0.159 0.000 2.202 75 W HA 0.182 4.805 4.660 -0.063 0.000 0.332 75 W C 1.636 178.225 176.519 0.117 0.000 1.263 75 W CA -0.337 57.076 57.345 0.114 0.000 1.223 75 W CB 0.206 29.725 29.460 0.098 0.000 1.128 75 W HN 0.049 nan 8.180 nan 0.000 0.573 76 D N 1.307 121.840 120.400 0.222 0.000 2.133 76 D HA -0.212 4.389 4.640 -0.065 0.000 0.195 76 D C 1.598 178.015 176.300 0.196 0.000 0.997 76 D CA 1.764 55.858 54.000 0.156 0.000 0.840 76 D CB -0.129 40.717 40.800 0.077 0.000 0.947 76 D HN 0.502 nan 8.370 nan 0.000 0.452 77 E N 0.274 120.607 120.200 0.222 0.000 2.106 77 E HA -0.063 4.248 4.350 -0.065 0.000 0.192 77 E C 2.212 179.024 176.600 0.353 0.000 0.984 77 E CA 0.922 57.420 56.400 0.163 0.000 0.806 77 E CB -0.107 29.530 29.700 -0.104 0.000 0.750 77 E HN 0.067 nan 8.360 nan 0.000 0.458 78 S N 0.552 116.516 115.700 0.441 0.000 2.368 78 S HA -0.127 4.304 4.470 -0.065 0.000 0.224 78 S C 2.126 176.962 174.600 0.394 0.000 1.029 78 S CA 0.879 59.358 58.200 0.466 0.000 0.988 78 S CB -0.353 63.151 63.200 0.507 0.000 0.838 78 S HN 0.410 nan 8.310 nan 0.000 0.462 79 A N 1.832 124.859 122.820 0.346 0.000 1.883 79 A HA 0.016 4.296 4.320 -0.065 0.000 0.217 79 A C 2.328 180.035 177.584 0.204 0.000 1.186 79 A CA 1.869 54.072 52.037 0.276 0.000 0.624 79 A CB -1.593 17.534 19.000 0.211 0.000 0.822 79 A HN 0.510 nan 8.150 nan 0.000 0.444 80 G N -0.194 108.710 108.800 0.174 0.000 2.545 80 G HA2 -0.276 3.645 3.960 -0.065 0.000 0.217 80 G HA3 -0.276 3.645 3.960 -0.065 0.000 0.217 80 G C 1.621 176.565 174.900 0.072 0.000 1.218 80 G CA 1.169 46.340 45.100 0.118 0.000 0.787 80 G HN 0.510 nan 8.290 nan 0.000 0.571 81 I N -1.027 119.577 120.570 0.057 0.000 2.315 81 I HA -0.101 4.030 4.170 -0.065 0.000 0.248 81 I C 2.468 178.489 176.117 -0.159 0.000 1.117 81 I CA 1.087 62.325 61.300 -0.102 0.000 1.404 81 I CB 0.076 37.935 38.000 -0.235 0.000 1.071 81 I HN 0.246 nan 8.210 nan 0.000 0.419 82 Y N 0.393 120.683 120.300 -0.018 0.000 2.314 82 Y HA -0.198 4.313 4.550 -0.065 0.000 0.293 82 Y C 2.460 178.390 175.900 0.050 0.000 1.129 82 Y CA 1.324 59.426 58.100 0.004 0.000 1.201 82 Y CB -0.380 38.055 38.460 -0.041 0.000 0.999 82 Y HN 0.202 nan 8.280 nan 0.000 0.541 83 E N 0.974 121.291 120.200 0.195 0.000 2.152 83 E HA -0.167 4.144 4.350 -0.065 0.000 0.192 83 E C 2.032 178.663 176.600 0.051 0.000 0.983 83 E CA 1.165 57.645 56.400 0.133 0.000 0.818 83 E CB -0.045 29.723 29.700 0.113 0.000 0.758 83 E HN 0.138 nan 8.360 nan 0.000 0.467 84 K N 0.060 120.448 120.400 -0.021 0.000 2.026 84 K HA -0.031 4.250 4.320 -0.065 0.000 0.208 84 K C 2.262 178.760 176.600 -0.169 0.000 1.048 84 K CA 1.781 57.977 56.287 -0.152 0.000 0.929 84 K CB -1.013 31.335 32.500 -0.252 0.000 0.713 84 K HN 0.082 nan 8.250 nan 0.000 0.439 85 S N -0.247 115.388 115.700 -0.109 0.000 2.370 85 S HA -0.111 4.319 4.470 -0.065 0.000 0.226 85 S C 1.721 176.383 174.600 0.103 0.000 1.033 85 S CA 1.304 59.448 58.200 -0.094 0.000 1.011 85 S CB -0.462 62.726 63.200 -0.021 0.000 0.852 85 S HN 0.378 nan 8.310 nan 0.000 0.457 86 L N 1.759 123.127 121.223 0.242 0.000 2.093 86 L HA 0.026 4.327 4.340 -0.065 0.000 0.208 86 L C 2.091 179.100 176.870 0.232 0.000 1.085 86 L CA 1.836 56.885 54.840 0.349 0.000 0.755 86 L CB -0.680 41.529 42.059 0.250 0.000 0.904 86 L HN 0.191 nan 8.230 nan 0.000 0.435 87 K N -0.721 119.740 120.400 0.101 0.000 2.057 87 K HA -0.149 4.132 4.320 -0.065 0.000 0.207 87 K C 2.096 178.715 176.600 0.031 0.000 1.049 87 K CA 1.614 57.936 56.287 0.058 0.000 0.931 87 K CB -0.364 32.132 32.500 -0.007 0.000 0.714 87 K HN 0.340 nan 8.250 nan 0.000 0.440 88 L N -0.654 120.541 121.223 -0.047 0.000 2.012 88 L HA -0.201 4.100 4.340 -0.065 0.000 0.210 88 L C 2.346 179.186 176.870 -0.050 0.000 1.073 88 L CA 1.509 56.307 54.840 -0.072 0.000 0.748 88 L CB -0.548 41.410 42.059 -0.169 0.000 0.891 88 L HN 0.323 nan 8.230 nan 0.000 0.431 89 W N 0.747 121.971 121.300 -0.126 0.000 2.318 89 W HA -0.249 4.372 4.660 -0.066 0.000 0.313 89 W C 2.576 178.806 176.519 -0.482 0.000 1.221 89 W CA 1.346 58.485 57.345 -0.344 0.000 1.266 89 W CB -0.207 28.999 29.460 -0.423 0.000 1.150 89 W HN 0.167 nan 8.180 nan 0.000 0.496 90 E N -0.443 119.800 120.200 0.072 0.000 2.204 90 E HA -0.247 4.064 4.350 -0.065 0.000 0.195 90 E C 1.838 178.499 176.600 0.101 0.000 0.990 90 E CA 1.260 57.775 56.400 0.192 0.000 0.821 90 E CB -0.266 29.587 29.700 0.254 0.000 0.750 90 E HN 0.559 nan 8.360 nan 0.000 0.477 91 Q N -0.257 119.574 119.800 0.052 0.000 2.396 91 Q HA 0.109 4.410 4.340 -0.065 0.000 0.209 91 Q C 2.063 178.073 176.000 0.017 0.000 0.906 91 Q CA -0.004 55.825 55.803 0.043 0.000 0.927 91 Q CB 0.317 29.087 28.738 0.052 0.000 1.069 91 Q HN 0.230 nan 8.270 nan 0.000 0.523 92 L N 1.050 122.272 121.223 -0.001 0.000 2.131 92 L HA -0.122 4.179 4.340 -0.065 0.000 0.210 92 L C -0.736 176.134 176.870 0.001 0.000 1.092 92 L CA 1.134 55.962 54.840 -0.019 0.000 0.759 92 L CB -1.174 40.834 42.059 -0.086 0.000 0.903 92 L HN 0.136 nan 8.230 nan 0.000 0.435 93 P HA -0.207 nan 4.420 nan 0.000 0.216 93 P C 1.386 178.624 177.300 -0.105 0.000 1.150 93 P CA 1.341 64.248 63.100 -0.322 0.000 0.837 93 P CB 0.122 31.590 31.700 -0.388 0.000 0.786 94 E N -0.394 119.777 120.200 -0.048 0.000 2.033 94 E HA -0.169 4.142 4.350 -0.065 0.000 0.189 94 E C 1.376 177.981 176.600 0.008 0.000 0.979 94 E CA 1.045 57.439 56.400 -0.010 0.000 0.802 94 E CB -0.347 29.359 29.700 0.009 0.000 0.763 94 E HN 0.082 nan 8.360 nan 0.000 0.449 95 D N 0.618 121.024 120.400 0.011 0.000 2.149 95 D HA -0.145 4.455 4.640 -0.065 0.000 0.198 95 D C 1.803 178.108 176.300 0.009 0.000 0.990 95 D CA 0.956 54.976 54.000 0.033 0.000 0.839 95 D CB -0.016 40.821 40.800 0.062 0.000 0.948 95 D HN 0.301 nan 8.370 nan 0.000 0.460 96 L N 0.112 121.304 121.223 -0.052 0.000 2.607 96 L HA 0.136 4.437 4.340 -0.065 0.000 0.228 96 L C -0.059 176.856 176.870 0.075 0.000 1.123 96 L CA -0.019 54.786 54.840 -0.058 0.000 0.890 96 L CB -0.274 41.662 42.059 -0.206 0.000 1.103 96 L HN -0.088 nan 8.230 nan 0.000 0.468 97 E N -0.086 120.148 120.200 0.057 0.000 2.228 97 E HA -0.277 4.034 4.350 -0.065 0.000 0.213 97 E C -0.767 175.896 176.600 0.104 0.000 1.282 97 E CA 0.484 56.917 56.400 0.055 0.000 0.707 97 E CB -1.416 28.312 29.700 0.046 0.000 1.150 97 E HN 0.330 nan 8.360 nan 0.000 0.362 98 Y N 0.414 120.698 120.300 -0.027 0.000 2.362 98 Y HA 0.242 4.753 4.550 -0.065 0.000 0.326 98 Y C -0.947 174.888 175.900 -0.107 0.000 1.083 98 Y CA -1.851 56.263 58.100 0.024 0.000 1.073 98 Y CB 1.498 40.050 38.460 0.154 0.000 1.211 98 Y HN 0.009 nan 8.280 nan 0.000 0.433 99 D N 5.495 126.017 120.400 0.203 0.000 2.453 99 D HA 0.097 4.698 4.640 -0.065 0.000 0.223 99 D C -0.103 176.357 176.300 0.268 0.000 1.183 99 D CA -0.294 53.728 54.000 0.036 0.000 0.933 99 D CB -0.405 40.397 40.800 0.003 0.000 1.038 99 D HN 0.332 nan 8.370 nan 0.000 0.513 100 F N 2.222 122.380 119.950 0.348 0.000 2.777 100 F HA 0.320 4.809 4.527 -0.063 0.000 0.291 100 F C 0.834 176.784 175.800 0.251 0.000 1.187 100 F CA -1.042 57.152 58.000 0.324 0.000 1.406 100 F CB -0.696 38.385 39.000 0.135 0.000 0.982 100 F HN 0.194 nan 8.300 nan 0.000 0.509 101 L N -0.473 120.898 121.223 0.248 0.000 3.717 101 L HA -0.299 4.002 4.340 -0.065 0.000 0.414 101 L C 0.033 177.022 176.870 0.199 0.000 1.228 101 L CA -0.024 54.893 54.840 0.128 0.000 0.918 101 L CB -2.076 40.047 42.059 0.106 0.000 1.865 101 L HN 0.362 nan 8.230 nan 0.000 0.922 102 F N 1.880 121.859 119.950 0.049 0.000 2.571 102 F HA 0.341 4.829 4.527 -0.065 0.000 0.384 102 F C 0.773 176.565 175.800 -0.014 0.000 1.058 102 F CA 0.407 58.457 58.000 0.083 0.000 1.200 102 F CB 0.989 40.044 39.000 0.092 0.000 1.077 102 F HN 0.066 nan 8.300 nan 0.000 0.558 103 S N 6.259 121.729 115.700 -0.383 0.000 2.756 103 S HA 0.311 4.742 4.470 -0.065 0.000 0.303 103 S C -0.774 173.501 174.600 -0.542 0.000 1.135 103 S CA -0.689 57.265 58.200 -0.409 0.000 1.066 103 S CB 0.557 63.651 63.200 -0.177 0.000 1.008 103 S HN 0.734 nan 8.310 nan 0.000 0.482 104 Q N 3.886 123.318 119.800 -0.613 0.000 2.844 104 Q HA 0.200 4.501 4.340 -0.065 0.000 0.235 104 Q C 1.127 176.977 176.000 -0.249 0.000 1.336 104 Q CA -0.285 55.243 55.803 -0.459 0.000 1.026 104 Q CB 0.262 28.746 28.738 -0.423 0.000 1.513 104 Q HN 0.688 nan 8.270 nan 0.000 0.577 105 R N 0.310 120.692 120.500 -0.196 0.000 2.359 105 R HA 0.303 4.604 4.340 -0.065 0.000 0.231 105 R C 0.474 176.738 176.300 -0.060 0.000 0.913 105 R CA 0.307 56.358 56.100 -0.083 0.000 1.075 105 R CB 0.220 30.483 30.300 -0.061 0.000 1.087 105 R HN 0.403 nan 8.270 nan 0.000 0.515 106 G N 0.525 109.181 108.800 -0.241 0.000 2.781 106 G HA2 -0.168 3.753 3.960 -0.065 0.000 0.683 106 G HA3 -0.168 3.753 3.960 -0.065 0.000 0.683 106 G C -1.064 173.649 174.900 -0.311 0.000 1.390 106 G CA -0.303 44.465 45.100 -0.553 0.000 0.850 106 G HN 0.303 nan 8.290 nan 0.000 0.557 107 V N 1.138 120.814 119.914 -0.398 0.000 2.733 107 V HA 0.749 4.830 4.120 -0.065 0.000 0.306 107 V C -0.239 175.955 176.094 0.167 0.000 1.084 107 V CA -0.914 61.367 62.300 -0.030 0.000 0.905 107 V CB 1.632 33.425 31.823 -0.049 0.000 1.010 107 V HN 0.927 nan 8.190 nan 0.000 0.424 108 L N 6.452 127.864 121.223 0.315 0.000 2.307 108 L HA 0.635 4.936 4.340 -0.065 0.000 0.284 108 L C -0.078 176.915 176.870 0.205 0.000 1.023 108 L CA -0.419 54.613 54.840 0.319 0.000 0.810 108 L CB 1.707 43.937 42.059 0.285 0.000 1.231 108 L HN 0.598 nan 8.230 nan 0.000 0.423 109 N N 5.185 123.984 118.700 0.165 0.000 2.564 109 N HA 0.395 5.096 4.740 -0.065 0.000 0.248 109 N C -0.713 174.880 175.510 0.137 0.000 0.986 109 N CA -0.460 52.682 53.050 0.153 0.000 0.921 109 N CB 1.895 40.456 38.487 0.124 0.000 1.136 109 N HN 0.399 nan 8.380 nan 0.000 0.509 110 L N 1.229 122.529 121.223 0.129 0.000 2.467 110 L HA 0.413 4.714 4.340 -0.065 0.000 0.270 110 L C 0.829 177.735 176.870 0.059 0.000 1.205 110 L CA -0.283 54.574 54.840 0.029 0.000 0.828 110 L CB 0.364 42.409 42.059 -0.023 0.000 1.101 110 L HN 0.352 nan 8.230 nan 0.000 0.479 111 A N 0.698 123.489 122.820 -0.049 0.000 2.343 111 A HA 0.589 4.870 4.320 -0.065 0.000 0.316 111 A C -0.498 176.989 177.584 -0.163 0.000 1.104 111 A CA -0.478 51.593 52.037 0.056 0.000 0.768 111 A CB 0.541 19.723 19.000 0.302 0.000 1.213 111 A HN 0.887 nan 8.150 nan 0.000 0.456 112 H N 0.351 119.419 119.070 -0.004 0.000 3.233 112 H HA 0.246 4.763 4.556 -0.065 0.000 0.263 112 H C 0.498 175.730 175.328 -0.160 0.000 1.168 112 H CA 0.924 56.946 56.048 -0.044 0.000 1.159 112 H CB 1.078 30.842 29.762 0.004 0.000 1.593 112 H HN 0.758 nan 8.280 nan 0.000 0.580 113 T N -2.923 111.564 114.554 -0.112 0.000 2.841 113 T HA 0.295 4.606 4.350 -0.065 0.000 0.296 113 T C 0.977 175.630 174.700 -0.078 0.000 1.166 113 T CA -0.886 61.124 62.100 -0.150 0.000 1.007 113 T CB 1.130 69.807 68.868 -0.319 0.000 1.253 113 T HN -0.000 nan 8.240 nan 0.000 0.511 114 L N 0.586 121.771 121.223 -0.064 0.000 2.083 114 L HA 0.088 4.389 4.340 -0.065 0.000 0.209 114 L C 2.911 179.734 176.870 -0.077 0.000 1.083 114 L CA 1.829 56.634 54.840 -0.059 0.000 0.752 114 L CB -1.000 41.032 42.059 -0.046 0.000 0.899 114 L HN 1.001 nan 8.230 nan 0.000 0.433 115 G N -0.467 108.286 108.800 -0.078 0.000 2.408 115 G HA2 -0.236 3.684 3.960 -0.065 0.000 0.217 115 G HA3 -0.236 3.684 3.960 -0.065 0.000 0.217 115 G C 1.142 176.003 174.900 -0.066 0.000 1.150 115 G CA 0.648 45.706 45.100 -0.070 0.000 0.776 115 G HN 0.268 nan 8.290 nan 0.000 0.542 116 D N 0.249 120.609 120.400 -0.066 0.000 2.123 116 D HA -0.097 4.504 4.640 -0.065 0.000 0.196 116 D C 2.775 179.057 176.300 -0.030 0.000 0.992 116 D CA 0.695 54.684 54.000 -0.018 0.000 0.833 116 D CB -0.366 40.441 40.800 0.013 0.000 0.954 116 D HN 0.190 nan 8.370 nan 0.000 0.455 117 V N 1.040 120.903 119.914 -0.084 0.000 2.295 117 V HA -0.235 3.846 4.120 -0.065 0.000 0.246 117 V C 2.490 178.378 176.094 -0.344 0.000 1.049 117 V CA 1.596 63.729 62.300 -0.279 0.000 1.024 117 V CB -0.349 31.317 31.823 -0.262 0.000 0.648 117 V HN 0.157 nan 8.190 nan 0.000 0.447 118 R N -0.053 120.320 120.500 -0.211 0.000 2.083 118 R HA -0.203 4.098 4.340 -0.065 0.000 0.237 118 R C 2.282 178.498 176.300 -0.140 0.000 1.137 118 R CA 1.892 57.885 56.100 -0.179 0.000 0.951 118 R CB -0.378 29.853 30.300 -0.115 0.000 0.851 118 R HN 0.631 nan 8.270 nan 0.000 0.434 119 E N 0.111 120.258 120.200 -0.089 0.000 2.150 119 E HA -0.108 4.203 4.350 -0.065 0.000 0.193 119 E C 2.078 178.660 176.600 -0.031 0.000 0.985 119 E CA 1.154 57.530 56.400 -0.040 0.000 0.814 119 E CB 0.062 29.761 29.700 -0.001 0.000 0.752 119 E HN 0.199 nan 8.360 nan 0.000 0.466 120 S N 0.406 116.078 115.700 -0.046 0.000 2.355 120 S HA -0.114 4.317 4.470 -0.065 0.000 0.222 120 S C 2.208 176.792 174.600 -0.027 0.000 1.031 120 S CA 0.852 59.070 58.200 0.030 0.000 0.993 120 S CB -0.094 63.207 63.200 0.169 0.000 0.859 120 S HN 0.059 nan 8.310 nan 0.000 0.453 121 V N 2.114 121.892 119.914 -0.227 0.000 2.427 121 V HA -0.140 3.941 4.120 -0.065 0.000 0.248 121 V C 2.481 178.520 176.094 -0.092 0.000 1.051 121 V CA 1.714 63.889 62.300 -0.208 0.000 1.048 121 V CB -0.662 30.938 31.823 -0.372 0.000 0.666 121 V HN 0.391 nan 8.190 nan 0.000 0.456 122 R N 0.256 120.703 120.500 -0.089 0.000 2.091 122 R HA -0.210 4.091 4.340 -0.065 0.000 0.238 122 R C 2.504 178.791 176.300 -0.023 0.000 1.136 122 R CA 2.039 58.104 56.100 -0.057 0.000 0.959 122 R CB -0.258 30.008 30.300 -0.056 0.000 0.856 122 R HN 0.421 nan 8.270 nan 0.000 0.437 123 R N -0.048 120.454 120.500 0.003 0.000 2.073 123 R HA -0.064 4.237 4.340 -0.065 0.000 0.229 123 R C 2.177 178.508 176.300 0.052 0.000 1.120 123 R CA 1.378 57.499 56.100 0.034 0.000 0.967 123 R CB -0.133 30.195 30.300 0.047 0.000 0.862 123 R HN 0.123 nan 8.270 nan 0.000 0.436 124 V N 1.604 121.560 119.914 0.070 0.000 2.287 124 V HA -0.240 3.841 4.120 -0.065 0.000 0.248 124 V C 2.222 178.357 176.094 0.068 0.000 1.053 124 V CA 1.915 64.274 62.300 0.098 0.000 1.027 124 V CB -0.396 31.520 31.823 0.156 0.000 0.646 124 V HN 0.374 nan 8.190 nan 0.000 0.447 125 E N 0.210 120.432 120.200 0.038 0.000 2.110 125 E HA -0.159 4.152 4.350 -0.065 0.000 0.193 125 E C 2.312 178.922 176.600 0.017 0.000 0.988 125 E CA 1.498 57.911 56.400 0.022 0.000 0.804 125 E CB -0.571 29.126 29.700 -0.005 0.000 0.745 125 E HN 0.586 nan 8.360 nan 0.000 0.458 126 A N 1.699 124.526 122.820 0.011 0.000 1.930 126 A HA -0.170 4.111 4.320 -0.065 0.000 0.217 126 A C 1.953 179.560 177.584 0.037 0.000 1.175 126 A CA 1.312 53.354 52.037 0.008 0.000 0.627 126 A CB -0.401 18.594 19.000 -0.008 0.000 0.815 126 A HN 0.128 nan 8.150 nan 0.000 0.443 127 N N 0.329 119.062 118.700 0.055 0.000 2.069 127 N HA -0.145 4.556 4.740 -0.065 0.000 0.191 127 N C 1.579 177.127 175.510 0.062 0.000 1.031 127 N CA 1.682 54.776 53.050 0.073 0.000 0.852 127 N CB -0.378 38.156 38.487 0.079 0.000 1.018 127 N HN 0.561 nan 8.380 nan 0.000 0.423 128 K N 0.461 120.894 120.400 0.055 0.000 2.103 128 K HA -0.025 4.256 4.320 -0.065 0.000 0.207 128 K C 1.572 178.196 176.600 0.040 0.000 1.048 128 K CA 0.781 57.097 56.287 0.049 0.000 0.930 128 K CB -0.125 32.404 32.500 0.048 0.000 0.716 128 K HN 0.194 nan 8.250 nan 0.000 0.444 129 L N 0.338 121.581 121.223 0.033 0.000 2.591 129 L HA 0.013 4.314 4.340 -0.065 0.000 0.228 129 L C 0.170 177.058 176.870 0.031 0.000 1.133 129 L CA 0.372 55.227 54.840 0.025 0.000 0.880 129 L CB -0.101 41.965 42.059 0.012 0.000 1.033 129 L HN 0.139 nan 8.230 nan 0.000 0.450 130 N N -0.192 118.534 118.700 0.044 0.000 2.433 130 N HA 0.224 4.925 4.740 -0.065 0.000 0.270 130 N C 0.779 176.326 175.510 0.063 0.000 1.354 130 N CA 0.314 53.398 53.050 0.055 0.000 0.889 130 N CB 1.247 39.777 38.487 0.072 0.000 1.285 130 N HN 0.141 nan 8.380 nan 0.000 0.503 131 G N 0.139 108.971 108.800 0.053 0.000 2.221 131 G HA2 -0.241 3.680 3.960 -0.065 0.000 0.265 131 G HA3 -0.241 3.680 3.960 -0.065 0.000 0.265 131 G C -0.380 174.556 174.900 0.061 0.000 1.041 131 G CA 0.271 45.402 45.100 0.052 0.000 0.807 131 G HN 0.223 nan 8.290 nan 0.000 0.502 132 V N 1.713 121.667 119.914 0.066 0.000 2.487 132 V HA 0.414 4.495 4.120 -0.065 0.000 0.298 132 V C -0.054 176.072 176.094 0.052 0.000 1.028 132 V CA -0.765 61.576 62.300 0.069 0.000 0.860 132 V CB 1.930 33.809 31.823 0.093 0.000 0.991 132 V HN 0.485 nan 8.190 nan 0.000 0.427 133 D N 4.231 124.652 120.400 0.035 0.000 2.401 133 D HA 0.453 5.054 4.640 -0.065 0.000 0.254 133 D C -0.157 176.151 176.300 0.014 0.000 1.192 133 D CA 0.040 54.053 54.000 0.022 0.000 0.885 133 D CB 1.705 42.503 40.800 -0.002 0.000 1.147 133 D HN 0.678 nan 8.370 nan 0.000 0.478 134 A N 2.407 125.257 122.820 0.050 0.000 2.549 134 A HA 0.628 4.909 4.320 -0.065 0.000 0.297 134 A C -0.981 176.683 177.584 0.134 0.000 1.061 134 A CA -0.859 51.225 52.037 0.077 0.000 0.690 134 A CB 2.023 21.075 19.000 0.086 0.000 1.287 134 A HN 0.606 nan 8.150 nan 0.000 0.402 135 E N 1.149 121.467 120.200 0.198 0.000 2.321 135 E HA 0.283 4.594 4.350 -0.065 0.000 0.278 135 E C -1.659 175.107 176.600 0.276 0.000 0.902 135 E CA -0.530 56.012 56.400 0.237 0.000 0.758 135 E CB 1.594 31.464 29.700 0.283 0.000 1.213 135 E HN 0.768 nan 8.360 nan 0.000 0.426 136 W N 7.324 128.676 121.300 0.087 0.000 2.351 136 W HA 0.478 5.099 4.660 -0.066 0.000 0.311 136 W C -1.755 174.787 176.519 0.038 0.000 1.168 136 W CA -0.452 56.929 57.345 0.060 0.000 1.200 136 W CB 0.643 30.122 29.460 0.031 0.000 1.221 136 W HN 0.428 nan 8.180 nan 0.000 0.519 137 L N 5.959 126.577 121.223 -1.008 0.000 2.346 137 L HA 0.229 4.530 4.340 -0.065 0.000 0.274 137 L C 0.244 176.461 176.870 -1.088 0.000 1.007 137 L CA -0.990 53.367 54.840 -0.806 0.000 0.818 137 L CB 1.818 43.556 42.059 -0.534 0.000 1.284 137 L HN 0.470 nan 8.230 nan 0.000 0.424 138 D N 1.600 121.674 120.400 -0.542 0.000 2.451 138 D HA 0.269 4.870 4.640 -0.065 0.000 0.259 138 D C -2.174 173.951 176.300 -0.291 0.000 1.201 138 D CA -1.981 51.827 54.000 -0.320 0.000 1.028 138 D CB 0.353 41.103 40.800 -0.083 0.000 1.095 138 D HN 0.106 nan 8.370 nan 0.000 0.539 139 P HA -0.184 nan 4.420 nan 0.000 0.216 139 P C 1.433 178.634 177.300 -0.164 0.000 1.153 139 P CA 2.458 65.456 63.100 -0.169 0.000 0.858 139 P CB -0.100 31.538 31.700 -0.104 0.000 0.789 140 S N -0.974 114.645 115.700 -0.135 0.000 2.402 140 S HA -0.211 4.220 4.470 -0.065 0.000 0.229 140 S C 1.983 176.487 174.600 -0.159 0.000 1.021 140 S CA 1.019 59.144 58.200 -0.125 0.000 0.974 140 S CB -1.213 61.931 63.200 -0.094 0.000 0.800 140 S HN 0.236 nan 8.310 nan 0.000 0.484 141 Q N 0.481 120.162 119.800 -0.198 0.000 2.172 141 Q HA 0.068 4.369 4.340 -0.065 0.000 0.200 141 Q C 2.294 178.114 176.000 -0.301 0.000 0.964 141 Q CA 1.165 56.820 55.803 -0.245 0.000 0.855 141 Q CB -0.322 28.254 28.738 -0.271 0.000 0.918 141 Q HN 0.487 nan 8.270 nan 0.000 0.444 142 V N 1.153 120.891 119.914 -0.293 0.000 2.307 142 V HA -0.257 3.824 4.120 -0.065 0.000 0.245 142 V C 2.198 178.160 176.094 -0.219 0.000 1.045 142 V CA 1.845 63.977 62.300 -0.280 0.000 1.024 142 V CB -0.400 31.271 31.823 -0.253 0.000 0.651 142 V HN 0.217 nan 8.190 nan 0.000 0.449 143 K N 0.662 120.951 120.400 -0.185 0.000 2.103 143 K HA -0.201 4.079 4.320 -0.065 0.000 0.207 143 K C 1.970 178.487 176.600 -0.138 0.000 1.048 143 K CA 1.704 57.904 56.287 -0.146 0.000 0.930 143 K CB -0.285 32.139 32.500 -0.126 0.000 0.716 143 K HN 0.615 nan 8.250 nan 0.000 0.444 144 E N -0.684 119.416 120.200 -0.166 0.000 2.072 144 E HA -0.124 4.187 4.350 -0.065 0.000 0.191 144 E C 1.918 178.406 176.600 -0.186 0.000 0.985 144 E CA 1.039 57.343 56.400 -0.159 0.000 0.801 144 E CB -0.164 29.430 29.700 -0.176 0.000 0.750 144 E HN 0.426 nan 8.360 nan 0.000 0.452 145 A N 0.235 122.887 122.820 -0.281 0.000 2.014 145 A HA -0.067 4.214 4.320 -0.065 0.000 0.218 145 A C 1.454 178.949 177.584 -0.149 0.000 1.163 145 A CA 0.592 52.415 52.037 -0.357 0.000 0.652 145 A CB 0.055 18.613 19.000 -0.737 0.000 0.808 145 A HN 0.352 nan 8.150 nan 0.000 0.449 146 C N -0.559 118.692 119.300 -0.081 0.000 3.362 146 C HA 0.513 4.934 4.460 -0.065 0.000 0.276 146 C C -2.040 172.952 174.990 0.003 0.000 1.102 146 C CA -1.349 57.697 59.018 0.046 0.000 1.361 146 C CB 0.127 27.959 27.740 0.153 0.000 1.822 146 C HN 0.286 nan 8.230 nan 0.000 0.538 147 P HA -0.200 nan 4.420 nan 0.000 0.218 147 P C 1.429 178.701 177.300 -0.046 0.000 1.152 147 P CA 1.874 64.953 63.100 -0.035 0.000 0.857 147 P CB -0.064 31.624 31.700 -0.019 0.000 0.787 148 I N -4.638 115.921 120.570 -0.018 0.000 2.830 148 I HA -0.024 4.107 4.170 -0.065 0.000 0.263 148 I C 0.993 177.029 176.117 -0.136 0.000 1.230 148 I CA 0.492 61.755 61.300 -0.061 0.000 1.480 148 I CB -0.798 37.161 38.000 -0.067 0.000 1.095 148 I HN -0.196 nan 8.210 nan 0.000 0.455 149 I N 2.960 123.421 120.570 -0.181 0.000 2.692 149 I HA -0.049 4.082 4.170 -0.065 0.000 0.284 149 I C 0.472 176.409 176.117 -0.301 0.000 1.159 149 I CA 0.157 61.204 61.300 -0.421 0.000 1.423 149 I CB 0.009 37.783 38.000 -0.377 0.000 1.380 149 I HN 0.204 nan 8.210 nan 0.000 0.580 150 N N 4.820 123.320 118.700 -0.334 0.000 2.439 150 N HA 0.043 4.744 4.740 -0.065 0.000 0.243 150 N C 0.537 175.948 175.510 -0.165 0.000 1.088 150 N CA -0.194 52.733 53.050 -0.206 0.000 0.940 150 N CB 0.602 38.980 38.487 -0.181 0.000 1.180 150 N HN 0.667 nan 8.380 nan 0.000 0.505 151 T N -0.742 113.730 114.554 -0.138 0.000 3.145 151 T HA 0.118 4.429 4.350 -0.065 0.000 0.255 151 T C 0.912 175.564 174.700 -0.080 0.000 1.039 151 T CA -0.486 61.545 62.100 -0.116 0.000 0.928 151 T CB -0.369 68.422 68.868 -0.128 0.000 1.029 151 T HN 0.350 nan 8.240 nan 0.000 0.554 152 S N 1.825 117.482 115.700 -0.071 0.000 2.661 152 S HA 0.241 4.671 4.470 -0.065 0.000 0.265 152 S C 0.670 175.250 174.600 -0.033 0.000 1.225 152 S CA -0.102 58.068 58.200 -0.051 0.000 0.986 152 S CB 0.748 63.917 63.200 -0.052 0.000 1.008 152 S HN 0.391 nan 8.310 nan 0.000 0.565 153 D N -1.230 119.155 120.400 -0.025 0.000 2.319 153 D HA 0.030 4.631 4.640 -0.065 0.000 0.230 153 D C 0.651 176.939 176.300 -0.020 0.000 1.094 153 D CA 0.122 54.113 54.000 -0.014 0.000 0.856 153 D CB -0.378 40.416 40.800 -0.010 0.000 0.915 153 D HN 0.658 nan 8.370 nan 0.000 0.517 154 D N 0.718 121.100 120.400 -0.029 0.000 2.355 154 D HA -0.058 4.543 4.640 -0.065 0.000 0.218 154 D C 1.113 177.389 176.300 -0.041 0.000 1.004 154 D CA -0.205 53.773 54.000 -0.035 0.000 0.880 154 D CB -0.449 40.328 40.800 -0.038 0.000 0.911 154 D HN 0.595 nan 8.370 nan 0.000 0.528 155 I N -3.564 116.986 120.570 -0.033 0.000 2.797 155 I HA 0.459 4.590 4.170 -0.065 0.000 0.310 155 I C 1.594 177.672 176.117 -0.066 0.000 0.990 155 I CA -1.226 60.050 61.300 -0.039 0.000 1.228 155 I CB 1.375 39.370 38.000 -0.009 0.000 1.406 155 I HN -0.315 nan 8.210 nan 0.000 0.534 156 R N 2.399 122.816 120.500 -0.140 0.000 2.117 156 R HA -0.104 4.197 4.340 -0.065 0.000 0.243 156 R C -0.427 175.621 176.300 -0.420 0.000 1.143 156 R CA 1.770 57.668 56.100 -0.337 0.000 0.968 156 R CB -0.332 29.668 30.300 -0.501 0.000 0.863 156 R HN 0.725 nan 8.270 nan 0.000 0.444 157 Y N -0.286 120.053 120.300 0.065 0.000 2.681 157 Y HA 0.421 4.932 4.550 -0.065 0.000 0.347 157 Y C -2.288 173.737 175.900 0.209 0.000 1.029 157 Y CA -3.652 54.526 58.100 0.130 0.000 1.279 157 Y CB 1.159 39.735 38.460 0.193 0.000 1.096 157 Y HN 0.017 nan 8.280 nan 0.000 0.580 158 P HA -0.050 nan 4.420 nan 0.000 0.265 158 P C -0.058 177.333 177.300 0.151 0.000 1.187 158 P CA 0.099 63.298 63.100 0.164 0.000 0.766 158 P CB 0.806 32.551 31.700 0.075 0.000 0.820 159 V N 4.706 124.635 119.914 0.024 0.000 2.599 159 V HA -0.050 4.031 4.120 -0.065 0.000 0.300 159 V C 1.574 177.607 176.094 -0.103 0.000 1.034 159 V CA 1.166 63.350 62.300 -0.193 0.000 1.115 159 V CB -0.142 31.556 31.823 -0.208 0.000 0.934 159 V HN 0.613 nan 8.190 nan 0.000 0.485 160 M N 3.320 122.868 119.600 -0.087 0.000 2.382 160 M HA 0.377 4.818 4.480 -0.065 0.000 0.247 160 M C 0.842 177.194 176.300 0.087 0.000 1.104 160 M CA 0.703 56.029 55.300 0.043 0.000 1.030 160 M CB 0.737 33.405 32.600 0.113 0.000 1.424 160 M HN 0.922 nan 8.290 nan 0.000 0.486 161 G N 0.596 109.330 108.800 -0.110 0.000 2.339 161 G HA2 0.479 4.400 3.960 -0.065 0.000 0.275 161 G HA3 0.479 4.400 3.960 -0.065 0.000 0.275 161 G C -2.198 172.360 174.900 -0.571 0.000 1.323 161 G CA -0.400 44.399 45.100 -0.501 0.000 0.927 161 G HN 0.404 nan 8.290 nan 0.000 0.486 162 A N -1.302 120.918 122.820 -0.999 0.000 2.597 162 A HA 0.971 5.252 4.320 -0.065 0.000 0.292 162 A C -0.009 177.427 177.584 -0.246 0.000 1.057 162 A CA 0.683 52.497 52.037 -0.372 0.000 0.674 162 A CB 0.861 19.755 19.000 -0.177 0.000 1.278 162 A HN 2.418 nan 8.150 nan 0.000 0.416 163 T N -1.151 113.487 114.554 0.140 0.000 2.899 163 T HA 0.627 4.938 4.350 -0.065 0.000 0.284 163 T C -0.228 174.621 174.700 0.247 0.000 1.004 163 T CA -0.416 61.830 62.100 0.243 0.000 1.043 163 T CB 1.214 70.229 68.868 0.244 0.000 1.013 163 T HN 1.320 nan 8.240 nan 0.000 0.518 164 W N 2.543 123.852 121.300 0.015 0.000 3.042 164 W HA 0.411 5.032 4.660 -0.065 0.000 0.337 164 W C -1.840 174.691 176.519 0.021 0.000 1.086 164 W CA -0.822 56.521 57.345 -0.003 0.000 1.236 164 W CB 1.710 31.147 29.460 -0.039 0.000 1.381 164 W HN 0.891 nan 8.180 nan 0.000 0.472 165 Q N 7.998 127.477 119.800 -0.535 0.000 2.401 165 Q HA 0.268 4.569 4.340 -0.065 0.000 0.260 165 Q C -2.003 173.417 176.000 -0.968 0.000 1.034 165 Q CA -1.744 53.733 55.803 -0.542 0.000 0.737 165 Q CB 2.452 31.039 28.738 -0.252 0.000 1.227 165 Q HN 0.135 nan 8.270 nan 0.000 0.488 166 P HA -0.161 nan 4.420 nan 0.000 0.216 166 P C 0.376 177.429 177.300 -0.412 0.000 1.153 166 P CA 1.282 63.946 63.100 -0.727 0.000 0.858 166 P CB 0.219 31.781 31.700 -0.230 0.000 0.789 167 R N -0.939 119.402 120.500 -0.266 0.000 2.323 167 R HA 0.208 4.509 4.340 -0.065 0.000 0.198 167 R C 1.039 177.250 176.300 -0.148 0.000 0.988 167 R CA -0.121 55.890 56.100 -0.148 0.000 1.041 167 R CB -0.339 29.934 30.300 -0.045 0.000 0.926 167 R HN 0.186 nan 8.270 nan 0.000 0.476 168 A N 0.202 122.887 122.820 -0.225 0.000 2.280 168 A HA 0.641 4.922 4.320 -0.065 0.000 0.268 168 A C 0.642 178.103 177.584 -0.205 0.000 1.111 168 A CA 0.391 52.323 52.037 -0.174 0.000 0.814 168 A CB 0.457 19.345 19.000 -0.186 0.000 1.093 168 A HN 0.336 nan 8.150 nan 0.000 0.498 169 G N -1.569 107.136 108.800 -0.158 0.000 2.452 169 G HA2 0.485 4.406 3.960 -0.065 0.000 0.224 169 G HA3 0.485 4.406 3.960 -0.065 0.000 0.224 169 G C -0.777 174.057 174.900 -0.110 0.000 1.208 169 G CA -0.037 44.960 45.100 -0.171 0.000 0.946 169 G HN 1.718 nan 8.290 nan 0.000 0.481 170 I N -2.755 117.752 120.570 -0.105 0.000 3.354 170 I HA 0.982 5.113 4.170 -0.065 0.000 0.316 170 I C -0.373 175.776 176.117 0.053 0.000 1.182 170 I CA -1.169 60.116 61.300 -0.024 0.000 0.942 170 I CB 1.912 39.892 38.000 -0.034 0.000 1.299 170 I HN 1.662 nan 8.210 nan 0.000 0.473 171 A N 1.714 124.605 122.820 0.119 0.000 2.610 171 A HA 0.697 4.978 4.320 -0.065 0.000 0.291 171 A C -1.636 176.013 177.584 0.108 0.000 1.086 171 A CA -0.716 51.467 52.037 0.244 0.000 0.677 171 A CB 1.746 20.949 19.000 0.339 0.000 1.278 171 A HN 0.673 nan 8.150 nan 0.000 0.414 172 K N 0.957 121.399 120.400 0.071 0.000 2.284 172 K HA 0.378 4.659 4.320 -0.065 0.000 0.287 172 K C 1.052 177.556 176.600 -0.160 0.000 1.081 172 K CA 0.040 56.179 56.287 -0.247 0.000 0.910 172 K CB 0.005 32.226 32.500 -0.465 0.000 1.088 172 K HN 0.820 nan 8.250 nan 0.000 0.478 173 H N 1.936 120.895 119.070 -0.187 0.000 2.265 173 H HA -0.183 4.335 4.556 -0.063 0.000 0.293 173 H C 0.575 175.786 175.328 -0.195 0.000 1.089 173 H CA 2.133 58.107 56.048 -0.124 0.000 1.244 173 H CB -0.444 29.050 29.762 -0.447 0.000 1.355 173 H HN 0.679 nan 8.280 nan 0.000 0.485 174 D N 0.676 121.127 120.400 0.085 0.000 2.106 174 D HA -0.196 4.404 4.640 -0.065 0.000 0.191 174 D C 2.193 177.924 176.300 -0.947 0.000 0.997 174 D CA 1.917 55.588 54.000 -0.547 0.000 0.834 174 D CB -0.739 39.641 40.800 -0.701 0.000 0.956 174 D HN 0.717 nan 8.370 nan 0.000 0.448 175 H N -0.032 118.629 119.070 -0.682 0.000 2.387 175 H HA -0.052 4.464 4.556 -0.066 0.000 0.299 175 H C 2.332 177.396 175.328 -0.441 0.000 1.099 175 H CA 0.473 56.268 56.048 -0.423 0.000 1.315 175 H CB 0.170 29.978 29.762 0.077 0.000 1.380 175 H HN -0.017 nan 8.280 nan 0.000 0.513 176 V N 1.190 120.979 119.914 -0.209 0.000 2.295 176 V HA -0.272 3.809 4.120 -0.065 0.000 0.246 176 V C 2.749 178.724 176.094 -0.200 0.000 1.049 176 V CA 1.601 63.644 62.300 -0.429 0.000 1.024 176 V CB -0.831 30.848 31.823 -0.240 0.000 0.648 176 V HN 0.532 nan 8.190 nan 0.000 0.447 177 A N -0.562 122.202 122.820 -0.094 0.000 1.877 177 A HA -0.221 4.060 4.320 -0.065 0.000 0.216 177 A C 1.945 179.628 177.584 0.164 0.000 1.186 177 A CA 1.933 53.987 52.037 0.030 0.000 0.620 177 A CB -0.725 18.254 19.000 -0.035 0.000 0.822 177 A HN 0.660 nan 8.150 nan 0.000 0.443 178 W N -0.397 120.944 121.300 0.069 0.000 2.402 178 W HA 0.067 4.685 4.660 -0.069 0.000 0.286 178 W C 2.679 179.214 176.519 0.026 0.000 1.221 178 W CA 0.429 57.870 57.345 0.160 0.000 1.257 178 W CB -1.257 28.303 29.460 0.167 0.000 1.120 178 W HN 0.459 nan 8.180 nan 0.000 0.551 179 A N -0.485 122.254 122.820 -0.135 0.000 1.898 179 A HA -0.114 4.167 4.320 -0.065 0.000 0.216 179 A C 1.867 179.352 177.584 -0.165 0.000 1.181 179 A CA 1.154 53.045 52.037 -0.244 0.000 0.620 179 A CB -1.143 17.557 19.000 -0.499 0.000 0.819 179 A HN 0.127 nan 8.150 nan 0.000 0.442 180 F N 0.153 119.997 119.950 -0.177 0.000 2.163 180 F HA -0.003 4.486 4.527 -0.064 0.000 0.297 180 F C 2.782 178.547 175.800 -0.057 0.000 1.094 180 F CA 0.814 58.665 58.000 -0.247 0.000 1.290 180 F CB -0.581 38.251 39.000 -0.281 0.000 1.017 180 F HN 0.252 nan 8.300 nan 0.000 0.483 181 A N 0.038 122.994 122.820 0.228 0.000 1.877 181 A HA -0.226 4.054 4.320 -0.065 0.000 0.216 181 A C 2.388 180.131 177.584 0.265 0.000 1.186 181 A CA 1.813 53.972 52.037 0.204 0.000 0.620 181 A CB -0.825 18.293 19.000 0.197 0.000 0.822 181 A HN 0.312 nan 8.150 nan 0.000 0.443 182 R N -0.595 120.090 120.500 0.308 0.000 2.083 182 R HA -0.175 4.126 4.340 -0.065 0.000 0.237 182 R C 1.942 178.375 176.300 0.222 0.000 1.137 182 R CA 1.764 58.021 56.100 0.261 0.000 0.951 182 R CB -0.204 30.261 30.300 0.274 0.000 0.851 182 R HN 0.263 nan 8.270 nan 0.000 0.434 183 K N 0.286 120.800 120.400 0.190 0.000 2.057 183 K HA -0.050 4.231 4.320 -0.065 0.000 0.206 183 K C 2.015 178.766 176.600 0.251 0.000 1.050 183 K CA 1.360 57.773 56.287 0.210 0.000 0.935 183 K CB -0.485 32.124 32.500 0.182 0.000 0.715 183 K HN 0.284 nan 8.250 nan 0.000 0.439 184 A N 2.281 125.257 122.820 0.259 0.000 1.858 184 A HA -0.227 4.054 4.320 -0.065 0.000 0.216 184 A C 2.120 179.800 177.584 0.160 0.000 1.190 184 A CA 1.921 54.083 52.037 0.208 0.000 0.617 184 A CB -0.767 18.334 19.000 0.168 0.000 0.827 184 A HN 0.446 nan 8.150 nan 0.000 0.443 185 N N -0.138 118.666 118.700 0.173 0.000 2.149 185 N HA -0.231 4.470 4.740 -0.065 0.000 0.188 185 N C 1.792 177.425 175.510 0.205 0.000 1.019 185 N CA 1.811 54.974 53.050 0.189 0.000 0.857 185 N CB -0.243 38.391 38.487 0.245 0.000 0.997 185 N HN 0.710 nan 8.380 nan 0.000 0.426 186 E N -0.007 120.321 120.200 0.213 0.000 2.153 186 E HA -0.105 4.206 4.350 -0.065 0.000 0.194 186 E C 1.663 178.348 176.600 0.142 0.000 0.988 186 E CA 0.894 57.411 56.400 0.195 0.000 0.811 186 E CB 0.038 29.853 29.700 0.191 0.000 0.746 186 E HN 0.468 nan 8.360 nan 0.000 0.466 187 M N -1.129 118.548 119.600 0.129 0.000 2.618 187 M HA 0.153 4.594 4.480 -0.065 0.000 0.240 187 M C 1.136 177.486 176.300 0.084 0.000 1.123 187 M CA 0.804 56.158 55.300 0.090 0.000 1.060 187 M CB 1.043 33.683 32.600 0.066 0.000 1.535 187 M HN 0.339 nan 8.290 nan 0.000 0.507 188 G N 0.011 108.874 108.800 0.105 0.000 2.184 188 G HA2 -0.177 3.743 3.960 -0.065 0.000 0.206 188 G HA3 -0.177 3.743 3.960 -0.065 0.000 0.206 188 G C 0.055 175.025 174.900 0.116 0.000 0.995 188 G CA -0.481 44.682 45.100 0.105 0.000 0.651 188 G HN 0.251 nan 8.290 nan 0.000 0.511 189 V N 1.788 121.763 119.914 0.101 0.000 2.655 189 V HA 0.356 4.437 4.120 -0.065 0.000 0.300 189 V C 0.166 176.304 176.094 0.074 0.000 1.044 189 V CA -0.034 62.311 62.300 0.074 0.000 1.095 189 V CB 1.347 33.196 31.823 0.043 0.000 0.952 189 V HN 0.260 nan 8.190 nan 0.000 0.485 190 D N 4.198 124.628 120.400 0.049 0.000 2.280 190 D HA 0.443 5.044 4.640 -0.065 0.000 0.243 190 D C -0.199 176.058 176.300 -0.073 0.000 1.129 190 D CA 0.030 54.056 54.000 0.042 0.000 0.848 190 D CB 1.297 42.172 40.800 0.124 0.000 1.107 190 D HN 0.351 nan 8.370 nan 0.000 0.471 191 I N 4.031 124.560 120.570 -0.068 0.000 2.328 191 I HA 0.221 4.352 4.170 -0.065 0.000 0.287 191 I C -0.263 175.771 176.117 -0.138 0.000 1.012 191 I CA -0.573 60.627 61.300 -0.167 0.000 1.195 191 I CB 0.992 38.809 38.000 -0.305 0.000 1.350 191 I HN 0.087 nan 8.210 nan 0.000 0.464 192 I N 6.709 127.200 120.570 -0.132 0.000 2.359 192 I HA 0.344 4.474 4.170 -0.065 0.000 0.284 192 I C 0.163 176.224 176.117 -0.093 0.000 1.018 192 I CA -0.383 60.868 61.300 -0.082 0.000 1.173 192 I CB 0.908 38.867 38.000 -0.068 0.000 1.326 192 I HN 0.622 nan 8.210 nan 0.000 0.462 193 Q N 4.059 123.820 119.800 -0.065 0.000 2.169 193 Q HA 0.383 4.684 4.340 -0.065 0.000 0.234 193 Q C 0.073 176.064 176.000 -0.015 0.000 0.980 193 Q CA -0.720 55.054 55.803 -0.048 0.000 0.941 193 Q CB 0.895 29.625 28.738 -0.013 0.000 1.199 193 Q HN 0.543 nan 8.270 nan 0.000 0.496 194 N N -1.216 117.483 118.700 -0.002 0.000 2.708 194 N HA -0.206 4.495 4.740 -0.065 0.000 0.249 194 N C -1.249 174.249 175.510 -0.019 0.000 1.097 194 N CA 0.250 53.303 53.050 0.005 0.000 0.710 194 N CB -1.161 37.343 38.487 0.028 0.000 1.032 194 N HN 0.387 nan 8.380 nan 0.000 0.551 195 C N 1.171 120.444 119.300 -0.044 0.000 2.386 195 C HA 0.346 4.767 4.460 -0.065 0.000 0.318 195 C C 0.038 174.980 174.990 -0.081 0.000 1.128 195 C CA -0.784 58.200 59.018 -0.057 0.000 1.438 195 C CB 0.302 28.006 27.740 -0.059 0.000 1.987 195 C HN 0.348 nan 8.230 nan 0.000 0.426 196 E N 4.420 124.572 120.200 -0.080 0.000 2.146 196 E HA 0.467 4.778 4.350 -0.065 0.000 0.282 196 E C -0.786 175.743 176.600 -0.118 0.000 0.989 196 E CA -0.364 55.976 56.400 -0.100 0.000 0.799 196 E CB 1.342 30.990 29.700 -0.087 0.000 1.088 196 E HN 0.603 nan 8.360 nan 0.000 0.397 197 V N 4.823 124.648 119.914 -0.148 0.000 2.479 197 V HA 0.031 4.112 4.120 -0.065 0.000 0.281 197 V C 1.189 177.155 176.094 -0.212 0.000 1.031 197 V CA 0.733 62.899 62.300 -0.223 0.000 1.038 197 V CB 0.932 32.587 31.823 -0.282 0.000 0.981 197 V HN 0.933 nan 8.190 nan 0.000 0.478 198 T N 0.634 115.059 114.554 -0.216 0.000 3.040 198 T HA 0.552 4.863 4.350 -0.065 0.000 0.266 198 T C 0.497 175.099 174.700 -0.163 0.000 1.005 198 T CA 0.295 62.305 62.100 -0.151 0.000 0.906 198 T CB 0.502 69.310 68.868 -0.101 0.000 1.082 198 T HN 1.082 nan 8.240 nan 0.000 0.531 199 G N 0.229 108.847 108.800 -0.304 0.000 2.356 199 G HA2 0.503 4.424 3.960 -0.065 0.000 0.294 199 G HA3 0.503 4.424 3.960 -0.065 0.000 0.294 199 G C -2.189 172.408 174.900 -0.504 0.000 1.423 199 G CA -0.988 43.964 45.100 -0.247 0.000 0.806 199 G HN 0.128 nan 8.290 nan 0.000 0.527 200 F N -0.403 119.544 119.950 -0.006 0.000 2.546 200 F HA 0.687 5.200 4.527 -0.023 0.000 0.320 200 F C 0.443 176.235 175.800 -0.014 0.000 1.076 200 F CA -0.787 57.208 58.000 -0.009 0.000 0.928 200 F CB 2.321 41.330 39.000 0.013 0.000 1.189 200 F HN 0.242 nan 8.300 nan 0.000 0.465 201 I N 2.921 123.579 120.570 0.147 0.000 2.336 201 I HA 0.379 4.510 4.170 -0.065 0.000 0.292 201 I C -0.731 175.456 176.117 0.117 0.000 0.991 201 I CA -0.528 60.825 61.300 0.087 0.000 1.227 201 I CB 1.244 39.252 38.000 0.014 0.000 1.366 201 I HN 0.509 nan 8.210 nan 0.000 0.466 202 K N 4.179 124.635 120.400 0.093 0.000 2.422 202 K HA 0.351 4.632 4.320 -0.065 0.000 0.251 202 K C -1.189 175.441 176.600 0.050 0.000 0.933 202 K CA -0.873 55.453 56.287 0.065 0.000 0.798 202 K CB 2.261 34.790 32.500 0.049 0.000 1.238 202 K HN 0.366 nan 8.250 nan 0.000 0.428 203 D N 2.114 122.535 120.400 0.036 0.000 2.472 203 D HA 0.318 4.919 4.640 -0.065 0.000 0.234 203 D C 0.561 176.867 176.300 0.011 0.000 1.088 203 D CA 0.603 54.620 54.000 0.027 0.000 0.882 203 D CB 0.614 41.431 40.800 0.027 0.000 1.037 203 D HN 0.712 nan 8.370 nan 0.000 0.520 204 G N 4.260 113.066 108.800 0.011 0.000 2.547 204 G HA2 -0.259 3.662 3.960 -0.065 0.000 0.271 204 G HA3 -0.259 3.662 3.960 -0.065 0.000 0.271 204 G C 0.229 175.124 174.900 -0.008 0.000 1.209 204 G CA -0.265 44.835 45.100 0.001 0.000 0.959 204 G HN 0.477 nan 8.290 nan 0.000 0.563 205 E N 1.592 121.778 120.200 -0.023 0.000 2.320 205 E HA 0.265 4.576 4.350 -0.065 0.000 0.234 205 E C 0.575 177.134 176.600 -0.068 0.000 1.290 205 E CA 0.254 56.628 56.400 -0.043 0.000 1.545 205 E CB 0.199 29.871 29.700 -0.047 0.000 1.379 205 E HN 0.519 nan 8.360 nan 0.000 0.437 206 K N 0.402 120.772 120.400 -0.051 0.000 2.471 206 K HA 0.297 4.578 4.320 -0.065 0.000 0.252 206 K C -0.922 175.656 176.600 -0.037 0.000 0.938 206 K CA -0.629 55.621 56.287 -0.061 0.000 0.796 206 K CB 2.449 34.927 32.500 -0.037 0.000 1.161 206 K HN -0.040 nan 8.250 nan 0.000 0.425 207 V N 3.951 123.829 119.914 -0.059 0.000 2.583 207 V HA 0.199 4.280 4.120 -0.065 0.000 0.287 207 V C 0.693 176.814 176.094 0.044 0.000 1.051 207 V CA 0.799 63.097 62.300 -0.003 0.000 1.010 207 V CB 1.285 33.086 31.823 -0.035 0.000 0.988 207 V HN 1.060 nan 8.190 nan 0.000 0.478 208 T N 1.924 116.533 114.554 0.091 0.000 3.016 208 T HA 0.588 4.899 4.350 -0.065 0.000 0.271 208 T C 0.466 175.256 174.700 0.150 0.000 0.968 208 T CA 0.409 62.586 62.100 0.128 0.000 0.891 208 T CB 0.343 69.303 68.868 0.153 0.000 1.149 208 T HN 1.410 nan 8.240 nan 0.000 0.524 209 G N 0.866 109.722 108.800 0.093 0.000 2.321 209 G HA2 0.499 4.420 3.960 -0.065 0.000 0.296 209 G HA3 0.499 4.420 3.960 -0.065 0.000 0.296 209 G C -1.760 173.132 174.900 -0.012 0.000 1.287 209 G CA -0.060 45.030 45.100 -0.017 0.000 0.846 209 G HN 1.083 nan 8.290 nan 0.000 0.508 210 V N -3.274 116.555 119.914 -0.141 0.000 3.114 210 V HA 0.897 4.977 4.120 -0.065 0.000 0.308 210 V C -1.185 174.768 176.094 -0.236 0.000 1.168 210 V CA -1.415 60.742 62.300 -0.239 0.000 1.015 210 V CB 2.146 33.783 31.823 -0.311 0.000 1.050 210 V HN 0.718 nan 8.190 nan 0.000 0.433 211 K N 2.198 122.442 120.400 -0.259 0.000 2.159 211 K HA 0.783 5.064 4.320 -0.065 0.000 0.266 211 K C -0.169 176.320 176.600 -0.184 0.000 0.975 211 K CA -0.013 56.167 56.287 -0.179 0.000 0.865 211 K CB 1.863 34.278 32.500 -0.143 0.000 1.087 211 K HN 1.236 nan 8.250 nan 0.000 0.446 212 T N -2.798 111.681 114.554 -0.126 0.000 2.864 212 T HA 0.194 4.505 4.350 -0.065 0.000 0.299 212 T C 0.990 175.647 174.700 -0.072 0.000 1.166 212 T CA -0.601 61.434 62.100 -0.109 0.000 1.007 212 T CB 1.164 69.973 68.868 -0.099 0.000 1.219 212 T HN 0.506 nan 8.240 nan 0.000 0.506 213 T N -0.789 113.727 114.554 -0.063 0.000 3.155 213 T HA 0.079 4.390 4.350 -0.065 0.000 0.264 213 T C 1.069 175.753 174.700 -0.027 0.000 1.160 213 T CA 0.411 62.486 62.100 -0.041 0.000 1.075 213 T CB -0.399 68.447 68.868 -0.036 0.000 0.921 213 T HN 0.701 nan 8.240 nan 0.000 0.533 214 R N 0.829 121.312 120.500 -0.028 0.000 2.662 214 R HA 0.505 4.806 4.340 -0.065 0.000 0.396 214 R C 0.622 176.919 176.300 -0.006 0.000 1.096 214 R CA -0.030 56.063 56.100 -0.011 0.000 1.081 214 R CB 0.822 31.119 30.300 -0.005 0.000 1.382 214 R HN 0.495 nan 8.270 nan 0.000 0.580 215 G N 0.458 109.249 108.800 -0.016 0.000 2.629 215 G HA2 -0.205 3.716 3.960 -0.065 0.000 0.686 215 G HA3 -0.205 3.716 3.960 -0.065 0.000 0.686 215 G C -0.413 174.472 174.900 -0.026 0.000 1.232 215 G CA -1.090 44.004 45.100 -0.010 0.000 0.803 215 G HN 0.017 nan 8.290 nan 0.000 0.638 216 T N 0.712 115.249 114.554 -0.028 0.000 2.918 216 T HA 0.563 4.873 4.350 -0.065 0.000 0.302 216 T C 0.684 175.354 174.700 -0.051 0.000 1.045 216 T CA 0.477 62.534 62.100 -0.072 0.000 1.114 216 T CB 0.386 69.209 68.868 -0.075 0.000 0.965 216 T HN 0.614 nan 8.240 nan 0.000 0.540 217 I N 2.829 123.333 120.570 -0.110 0.000 2.512 217 I HA 0.277 4.408 4.170 -0.065 0.000 0.287 217 I C -0.042 176.020 176.117 -0.092 0.000 1.069 217 I CA -0.906 60.391 61.300 -0.006 0.000 1.056 217 I CB 1.691 39.737 38.000 0.077 0.000 1.229 217 I HN 0.563 nan 8.210 nan 0.000 0.429 218 H N 4.261 123.382 119.070 0.085 0.000 2.488 218 H HA 0.823 5.345 4.556 -0.056 0.000 0.347 218 H C -0.328 175.067 175.328 0.112 0.000 1.174 218 H CA -0.452 55.643 56.048 0.078 0.000 1.307 218 H CB 2.215 32.005 29.762 0.047 0.000 1.517 218 H HN 0.750 nan 8.280 nan 0.000 0.554 219 A N 0.249 123.197 122.820 0.213 0.000 2.608 219 A HA 0.440 4.720 4.320 -0.065 0.000 0.292 219 A C 0.829 178.495 177.584 0.137 0.000 1.066 219 A CA -0.055 52.087 52.037 0.175 0.000 0.676 219 A CB 0.667 19.767 19.000 0.167 0.000 1.277 219 A HN 0.724 nan 8.150 nan 0.000 0.413 220 G N -0.159 108.709 108.800 0.114 0.000 2.464 220 G HA2 0.281 4.201 3.960 -0.065 0.000 0.217 220 G HA3 0.281 4.201 3.960 -0.065 0.000 0.217 220 G C 0.484 175.441 174.900 0.095 0.000 1.138 220 G CA 0.762 45.915 45.100 0.089 0.000 0.793 220 G HN 0.628 nan 8.290 nan 0.000 0.539 221 K N -0.438 120.032 120.400 0.117 0.000 2.464 221 K HA 0.594 4.875 4.320 -0.065 0.000 0.253 221 K C -1.712 174.983 176.600 0.159 0.000 0.933 221 K CA -0.596 55.791 56.287 0.167 0.000 0.801 221 K CB 3.432 36.056 32.500 0.207 0.000 1.271 221 K HN -0.090 nan 8.250 nan 0.000 0.430 222 V N 1.301 121.318 119.914 0.171 0.000 2.709 222 V HA 0.738 4.819 4.120 -0.065 0.000 0.308 222 V C -1.008 175.206 176.094 0.200 0.000 1.062 222 V CA -0.868 61.528 62.300 0.160 0.000 0.901 222 V CB 1.759 33.681 31.823 0.166 0.000 1.003 222 V HN 0.917 nan 8.190 nan 0.000 0.425 223 A N 5.003 127.930 122.820 0.179 0.000 2.371 223 A HA 0.917 5.198 4.320 -0.065 0.000 0.311 223 A C -1.107 176.566 177.584 0.149 0.000 1.068 223 A CA -0.587 51.562 52.037 0.187 0.000 0.744 223 A CB 1.237 20.321 19.000 0.141 0.000 1.239 223 A HN 0.797 nan 8.150 nan 0.000 0.435 224 L N 1.827 123.146 121.223 0.160 0.000 2.272 224 L HA 0.650 4.951 4.340 -0.065 0.000 0.289 224 L C 0.540 177.496 176.870 0.144 0.000 1.032 224 L CA -0.352 54.587 54.840 0.165 0.000 0.810 224 L CB 1.807 43.985 42.059 0.200 0.000 1.205 224 L HN 0.828 nan 8.230 nan 0.000 0.422 225 A N 2.154 125.039 122.820 0.108 0.000 3.176 225 A HA 0.492 4.773 4.320 -0.065 0.000 0.265 225 A C 0.874 178.490 177.584 0.054 0.000 0.936 225 A CA -0.135 51.958 52.037 0.093 0.000 1.033 225 A CB 0.191 19.227 19.000 0.061 0.000 1.158 225 A HN 0.833 nan 8.150 nan 0.000 0.485 226 G N -0.665 108.183 108.800 0.081 0.000 3.189 226 G HA2 0.466 4.387 3.960 -0.065 0.000 0.225 226 G HA3 0.466 4.387 3.960 -0.065 0.000 0.225 226 G C 1.090 176.046 174.900 0.095 0.000 1.159 226 G CA 0.942 46.083 45.100 0.069 0.000 0.763 226 G HN 1.630 nan 8.290 nan 0.000 0.549 227 A N 0.238 123.101 122.820 0.073 0.000 5.228 227 A HA -0.262 4.019 4.320 -0.065 0.000 0.354 227 A C 2.492 180.120 177.584 0.074 0.000 1.628 227 A CA 2.458 54.529 52.037 0.058 0.000 0.701 227 A CB -1.563 17.425 19.000 -0.019 0.000 1.503 227 A HN 1.410 nan 8.150 nan 0.000 0.412 228 G N -2.534 106.300 108.800 0.056 0.000 2.499 228 G HA2 -0.085 3.836 3.960 -0.065 0.000 0.221 228 G HA3 -0.085 3.836 3.960 -0.065 0.000 0.221 228 G C 0.881 175.766 174.900 -0.024 0.000 1.109 228 G CA 1.882 46.961 45.100 -0.036 0.000 0.749 228 G HN 0.987 nan 8.290 nan 0.000 0.568 229 H N -0.509 118.617 119.070 0.093 0.000 2.505 229 H HA 0.338 4.856 4.556 -0.063 0.000 0.289 229 H C 2.285 177.667 175.328 0.090 0.000 1.052 229 H CA 0.227 56.365 56.048 0.150 0.000 1.156 229 H CB 0.651 30.472 29.762 0.098 0.000 1.507 229 H HN 0.205 nan 8.280 nan 0.000 0.548 230 S N -0.483 115.306 115.700 0.147 0.000 2.400 230 S HA -0.179 4.252 4.470 -0.065 0.000 0.232 230 S C 2.161 176.773 174.600 0.021 0.000 1.025 230 S CA 1.420 59.675 58.200 0.091 0.000 0.993 230 S CB -0.010 63.235 63.200 0.075 0.000 0.808 230 S HN 0.426 nan 8.310 nan 0.000 0.478 231 S N 1.050 116.758 115.700 0.012 0.000 2.368 231 S HA -0.048 4.383 4.470 -0.065 0.000 0.224 231 S C 2.050 176.629 174.600 -0.034 0.000 1.029 231 S CA 0.988 59.159 58.200 -0.047 0.000 0.988 231 S CB -0.359 62.831 63.200 -0.016 0.000 0.838 231 S HN 0.357 nan 8.310 nan 0.000 0.462 232 V N 2.365 122.302 119.914 0.038 0.000 2.287 232 V HA -0.181 3.900 4.120 -0.065 0.000 0.248 232 V C 2.188 178.322 176.094 0.067 0.000 1.053 232 V CA 1.602 63.926 62.300 0.041 0.000 1.027 232 V CB -0.817 31.055 31.823 0.081 0.000 0.646 232 V HN 0.412 nan 8.190 nan 0.000 0.447 233 L N 0.085 121.373 121.223 0.108 0.000 2.056 233 L HA -0.126 4.175 4.340 -0.065 0.000 0.207 233 L C 2.770 179.713 176.870 0.121 0.000 1.078 233 L CA 1.552 56.517 54.840 0.209 0.000 0.749 233 L CB -0.861 41.341 42.059 0.238 0.000 0.901 233 L HN 0.352 nan 8.230 nan 0.000 0.433 234 A N -0.376 122.368 122.820 -0.128 0.000 1.902 234 A HA -0.256 4.025 4.320 -0.065 0.000 0.217 234 A C 2.279 179.649 177.584 -0.356 0.000 1.181 234 A CA 1.811 53.511 52.037 -0.561 0.000 0.623 234 A CB -0.517 17.880 19.000 -1.005 0.000 0.818 234 A HN 0.452 nan 8.150 nan 0.000 0.443 235 E N -0.716 119.376 120.200 -0.179 0.000 2.110 235 E HA -0.176 4.135 4.350 -0.065 0.000 0.193 235 E C 2.044 178.653 176.600 0.015 0.000 0.988 235 E CA 1.279 57.628 56.400 -0.085 0.000 0.804 235 E CB -0.166 29.503 29.700 -0.053 0.000 0.745 235 E HN 0.693 nan 8.360 nan 0.000 0.458 236 M N -0.197 119.465 119.600 0.103 0.000 2.132 236 M HA -0.099 4.342 4.480 -0.065 0.000 0.263 236 M C 2.348 178.832 176.300 0.308 0.000 1.065 236 M CA 1.352 56.787 55.300 0.226 0.000 1.122 236 M CB -0.033 32.763 32.600 0.326 0.000 1.365 236 M HN 0.112 nan 8.290 nan 0.000 0.411 237 A N -0.116 122.803 122.820 0.164 0.000 2.119 237 A HA 0.244 4.525 4.320 -0.065 0.000 0.217 237 A C 1.596 179.214 177.584 0.057 0.000 1.153 237 A CA 1.109 53.064 52.037 -0.137 0.000 0.692 237 A CB -0.772 17.913 19.000 -0.524 0.000 0.799 237 A HN 0.671 nan 8.150 nan 0.000 0.458 238 G N -1.580 107.276 108.800 0.093 0.000 2.207 238 G HA2 -0.108 3.813 3.960 -0.065 0.000 0.216 238 G HA3 -0.108 3.813 3.960 -0.065 0.000 0.216 238 G C -0.111 174.895 174.900 0.177 0.000 1.053 238 G CA 0.157 45.314 45.100 0.095 0.000 0.764 238 G HN 1.606 nan 8.290 nan 0.000 0.495 239 F N -1.693 118.216 119.950 -0.069 0.000 2.685 239 F HA 0.866 5.352 4.527 -0.067 0.000 0.315 239 F C -0.391 175.383 175.800 -0.044 0.000 1.126 239 F CA -1.674 56.290 58.000 -0.061 0.000 0.950 239 F CB 0.926 39.876 39.000 -0.083 0.000 1.360 239 F HN 0.069 nan 8.300 nan 0.000 0.469 240 E N 1.783 121.949 120.200 -0.056 0.000 2.222 240 E HA 0.690 5.001 4.350 -0.065 0.000 0.272 240 E C -1.385 175.118 176.600 -0.162 0.000 0.982 240 E CA -0.886 55.418 56.400 -0.160 0.000 0.842 240 E CB 2.570 32.247 29.700 -0.037 0.000 1.144 240 E HN 0.557 nan 8.360 nan 0.000 0.397 241 L N 2.807 123.909 121.223 -0.201 0.000 2.438 241 L HA 0.367 4.668 4.340 -0.065 0.000 0.270 241 L C -2.215 174.568 176.870 -0.145 0.000 0.972 241 L CA -1.944 52.816 54.840 -0.133 0.000 0.831 241 L CB 2.343 44.304 42.059 -0.163 0.000 1.273 241 L HN 0.443 nan 8.230 nan 0.000 0.405 242 P HA 0.229 nan 4.420 nan 0.000 0.225 242 P C -0.846 176.294 177.300 -0.267 0.000 1.813 242 P CA 0.071 62.991 63.100 -0.300 0.000 1.013 242 P CB -0.336 31.010 31.700 -0.591 0.000 1.961 243 I N -2.388 118.087 120.570 -0.158 0.000 3.042 243 I HA 0.631 4.762 4.170 -0.065 0.000 0.310 243 I C -1.050 175.012 176.117 -0.093 0.000 1.117 243 I CA -1.250 59.985 61.300 -0.107 0.000 1.003 243 I CB 2.542 40.498 38.000 -0.073 0.000 1.228 243 I HN -0.197 nan 8.210 nan 0.000 0.443 244 Q N 2.011 121.760 119.800 -0.086 0.000 2.359 244 Q HA 0.490 4.791 4.340 -0.065 0.000 0.274 244 Q C -1.451 174.377 176.000 -0.287 0.000 1.074 244 Q CA -0.729 54.972 55.803 -0.171 0.000 0.810 244 Q CB 2.567 31.230 28.738 -0.125 0.000 1.342 244 Q HN 0.783 nan 8.270 nan 0.000 0.427 245 S N 2.089 117.516 115.700 -0.455 0.000 2.433 245 S HA 0.545 4.976 4.470 -0.065 0.000 0.310 245 S C -0.730 173.458 174.600 -0.687 0.000 1.097 245 S CA -0.549 57.321 58.200 -0.550 0.000 1.103 245 S CB 0.480 63.196 63.200 -0.805 0.000 0.992 245 S HN 0.337 nan 8.310 nan 0.000 0.469 246 H N 1.849 120.762 119.070 -0.261 0.000 2.797 246 H HA 0.444 4.963 4.556 -0.062 0.000 0.372 246 H C -2.787 172.411 175.328 -0.216 0.000 1.168 246 H CA -2.053 53.853 56.048 -0.236 0.000 1.163 246 H CB 1.660 31.315 29.762 -0.179 0.000 1.778 246 H HN 0.272 nan 8.280 nan 0.000 0.551 247 P HA 0.142 nan 4.420 nan 0.000 0.277 247 P C -0.859 176.403 177.300 -0.063 0.000 1.240 247 P CA -0.542 62.511 63.100 -0.079 0.000 0.798 247 P CB 0.856 32.499 31.700 -0.094 0.000 0.979 248 L N 2.183 123.387 121.223 -0.033 0.000 2.476 248 L HA 0.383 4.684 4.340 -0.065 0.000 0.269 248 L C -0.910 175.925 176.870 -0.058 0.000 0.965 248 L CA -0.304 54.519 54.840 -0.028 0.000 0.845 248 L CB 1.642 43.711 42.059 0.017 0.000 1.259 248 L HN 0.315 nan 8.230 nan 0.000 0.403 249 Q N 2.948 122.676 119.800 -0.120 0.000 2.205 249 Q HA 0.942 5.243 4.340 -0.065 0.000 0.249 249 Q C -0.878 174.905 176.000 -0.362 0.000 0.948 249 Q CA -0.606 55.058 55.803 -0.232 0.000 0.895 249 Q CB 2.199 30.807 28.738 -0.216 0.000 1.249 249 Q HN 0.881 nan 8.270 nan 0.000 0.458 250 A N 0.866 123.262 122.820 -0.706 0.000 2.588 250 A HA 0.847 5.128 4.320 -0.065 0.000 0.290 250 A C -1.883 174.968 177.584 -1.221 0.000 1.136 250 A CA -0.601 50.904 52.037 -0.887 0.000 0.681 250 A CB 1.267 19.743 19.000 -0.874 0.000 1.282 250 A HN 0.578 nan 8.150 nan 0.000 0.421 251 L N -2.289 118.368 121.223 -0.944 0.000 2.775 251 L HA 0.926 5.227 4.340 -0.065 0.000 0.263 251 L C -0.842 175.960 176.870 -0.115 0.000 1.017 251 L CA -0.812 53.710 54.840 -0.529 0.000 0.891 251 L CB 1.367 43.267 42.059 -0.265 0.000 1.482 251 L HN 1.467 nan 8.230 nan 0.000 0.410 252 V N -1.973 118.038 119.914 0.162 0.000 3.040 252 V HA 0.984 5.065 4.120 -0.065 0.000 0.312 252 V C 0.182 176.344 176.094 0.113 0.000 1.115 252 V CA 0.208 62.615 62.300 0.177 0.000 0.998 252 V CB 1.166 33.154 31.823 0.275 0.000 1.042 252 V HN 1.325 nan 8.190 nan 0.000 0.433 253 S N 1.160 116.909 115.700 0.082 0.000 2.718 253 S HA 0.633 5.064 4.470 -0.065 0.000 0.292 253 S C 0.027 174.696 174.600 0.114 0.000 1.125 253 S CA -0.342 57.932 58.200 0.123 0.000 1.013 253 S CB 1.241 64.529 63.200 0.146 0.000 1.192 253 S HN 1.177 nan 8.310 nan 0.000 0.535 254 E N 0.282 120.542 120.200 0.100 0.000 2.602 254 E HA 0.337 4.648 4.350 -0.065 0.000 0.255 254 E C -0.450 176.003 176.600 -0.244 0.000 1.268 254 E CA -0.755 55.592 56.400 -0.088 0.000 1.007 254 E CB 0.105 29.706 29.700 -0.165 0.000 1.208 254 E HN 0.654 nan 8.360 nan 0.000 0.584 255 L N 0.627 121.650 121.223 -0.334 0.000 2.380 255 L HA 0.322 4.623 4.340 -0.065 0.000 0.273 255 L C -0.380 176.140 176.870 -0.584 0.000 1.138 255 L CA -0.133 54.530 54.840 -0.295 0.000 0.832 255 L CB -0.194 41.759 42.059 -0.176 0.000 1.124 255 L HN 0.382 nan 8.230 nan 0.000 0.454 256 F N 0.057 120.005 119.950 -0.003 0.000 2.613 256 F HA 0.363 4.851 4.527 -0.065 0.000 0.314 256 F C 0.408 176.212 175.800 0.007 0.000 1.075 256 F CA -0.933 57.072 58.000 0.009 0.000 0.945 256 F CB 1.427 40.435 39.000 0.013 0.000 1.310 256 F HN 0.421 nan 8.300 nan 0.000 0.467 257 E N 1.741 122.077 120.200 0.226 0.000 2.422 257 E HA 0.139 4.449 4.350 -0.065 0.000 0.260 257 E C -2.378 174.305 176.600 0.138 0.000 1.108 257 E CA -1.570 54.906 56.400 0.128 0.000 0.943 257 E CB -0.029 29.734 29.700 0.106 0.000 0.961 257 E HN 0.140 nan 8.360 nan 0.000 0.443 258 P HA -0.091 nan 4.420 nan 0.000 0.261 258 P C 0.166 177.531 177.300 0.107 0.000 1.203 258 P CA 0.438 63.595 63.100 0.096 0.000 0.767 258 P CB 0.332 32.073 31.700 0.068 0.000 0.785 259 V N -0.156 119.842 119.914 0.141 0.000 3.426 259 V HA 0.198 4.279 4.120 -0.065 0.000 0.271 259 V C 0.363 176.579 176.094 0.204 0.000 1.530 259 V CA 0.293 62.676 62.300 0.139 0.000 1.021 259 V CB -0.596 31.297 31.823 0.118 0.000 0.824 259 V HN 0.509 nan 8.190 nan 0.000 0.432 260 H N 3.332 122.464 119.070 0.104 0.000 2.718 260 H HA 0.464 4.981 4.556 -0.065 0.000 0.295 260 H C -1.882 173.501 175.328 0.092 0.000 1.051 260 H CA -1.754 54.360 56.048 0.109 0.000 1.260 260 H CB 2.708 32.557 29.762 0.144 0.000 1.403 260 H HN 0.175 nan 8.280 nan 0.000 0.488 261 P HA -0.002 nan 4.420 nan 0.000 0.231 261 P C 0.550 177.829 177.300 -0.034 0.000 1.168 261 P CA 0.498 63.619 63.100 0.035 0.000 0.779 261 P CB 0.921 32.672 31.700 0.085 0.000 0.844 262 T N -1.386 113.090 114.554 -0.130 0.000 2.654 262 T HA 0.437 4.747 4.350 -0.065 0.000 0.289 262 T C -1.343 173.243 174.700 -0.190 0.000 1.062 262 T CA -0.581 61.495 62.100 -0.039 0.000 1.041 262 T CB 1.302 70.321 68.868 0.252 0.000 1.417 262 T HN -0.352 nan 8.240 nan 0.000 0.510 263 V N 2.016 121.947 119.914 0.029 0.000 2.427 263 V HA 0.675 4.756 4.120 -0.065 0.000 0.286 263 V C -0.413 175.838 176.094 0.261 0.000 1.034 263 V CA -0.487 61.866 62.300 0.089 0.000 0.893 263 V CB 1.383 33.239 31.823 0.055 0.000 0.982 263 V HN 0.648 nan 8.190 nan 0.000 0.452 264 V N 6.271 126.413 119.914 0.379 0.000 2.540 264 V HA 0.606 4.687 4.120 -0.065 0.000 0.302 264 V C -0.267 176.051 176.094 0.374 0.000 1.035 264 V CA -0.440 62.110 62.300 0.417 0.000 0.873 264 V CB 1.866 34.060 31.823 0.619 0.000 0.992 264 V HN 0.872 nan 8.190 nan 0.000 0.428 265 M N 3.376 123.166 119.600 0.316 0.000 2.446 265 M HA 0.614 5.055 4.480 -0.065 0.000 0.294 265 M C -0.735 175.752 176.300 0.311 0.000 1.158 265 M CA -0.408 55.094 55.300 0.337 0.000 0.899 265 M CB 2.409 35.173 32.600 0.272 0.000 1.687 265 M HN 0.557 nan 8.290 nan 0.000 0.455 266 S N 0.583 116.494 115.700 0.350 0.000 2.571 266 S HA 0.455 4.886 4.470 -0.065 0.000 0.284 266 S C -0.254 174.585 174.600 0.399 0.000 1.128 266 S CA -0.633 57.783 58.200 0.361 0.000 0.970 266 S CB 1.070 64.495 63.200 0.375 0.000 1.039 266 S HN 0.789 nan 8.310 nan 0.000 0.485 267 N N 2.224 121.107 118.700 0.304 0.000 2.290 267 N HA 0.024 4.725 4.740 -0.065 0.000 0.179 267 N C 1.238 176.792 175.510 0.074 0.000 1.016 267 N CA 1.006 54.148 53.050 0.154 0.000 0.871 267 N CB -0.481 38.061 38.487 0.092 0.000 0.987 267 N HN 0.788 nan 8.380 nan 0.000 0.431 268 H N -0.008 119.070 119.070 0.014 0.000 2.395 268 H HA 0.274 4.791 4.556 -0.065 0.000 0.299 268 H C 0.228 175.439 175.328 -0.195 0.000 1.070 268 H CA 1.013 56.971 56.048 -0.150 0.000 1.356 268 H CB 0.270 29.913 29.762 -0.198 0.000 1.401 268 H HN 0.028 nan 8.280 nan 0.000 0.524 269 I N 1.578 122.038 120.570 -0.183 0.000 2.620 269 I HA 0.038 4.169 4.170 -0.065 0.000 0.280 269 I C -0.541 175.601 176.117 0.042 0.000 1.143 269 I CA -0.589 60.636 61.300 -0.125 0.000 1.163 269 I CB 0.158 38.026 38.000 -0.220 0.000 1.461 269 I HN 0.216 nan 8.210 nan 0.000 0.530 270 H N 4.613 123.644 119.070 -0.065 0.000 3.184 270 H HA 0.340 4.857 4.556 -0.066 0.000 0.274 270 H C -0.676 174.618 175.328 -0.056 0.000 0.962 270 H CA 0.757 56.790 56.048 -0.025 0.000 1.441 270 H CB 0.361 30.103 29.762 -0.033 0.000 1.518 270 H HN 0.300 nan 8.280 nan 0.000 0.539 271 V N 6.536 126.301 119.914 -0.247 0.000 3.216 271 V HA 0.343 4.424 4.120 -0.065 0.000 0.273 271 V C -2.112 173.879 176.094 -0.171 0.000 1.664 271 V CA -0.716 61.338 62.300 -0.410 0.000 1.021 271 V CB 1.458 33.185 31.823 -0.160 0.000 1.250 271 V HN 0.733 nan 8.190 nan 0.000 0.463 272 Y N 3.159 123.450 120.300 -0.015 0.000 2.504 272 Y HA 0.929 5.439 4.550 -0.066 0.000 0.344 272 Y C -0.816 175.123 175.900 0.066 0.000 1.023 272 Y CA -1.241 56.905 58.100 0.076 0.000 1.020 272 Y CB 1.756 40.254 38.460 0.062 0.000 1.282 272 Y HN 0.778 nan 8.280 nan 0.000 0.454 273 V N 2.110 122.198 119.914 0.290 0.000 3.077 273 V HA 0.862 4.943 4.120 -0.065 0.000 0.299 273 V C -1.351 174.907 176.094 0.274 0.000 1.276 273 V CA 0.107 62.521 62.300 0.190 0.000 0.993 273 V CB 2.305 34.150 31.823 0.036 0.000 1.076 273 V HN 1.435 nan 8.190 nan 0.000 0.434 274 S N 4.247 120.037 115.700 0.149 0.000 2.651 274 S HA 0.674 5.105 4.470 -0.065 0.000 0.279 274 S C -1.151 173.471 174.600 0.037 0.000 1.148 274 S CA -0.707 57.503 58.200 0.017 0.000 0.837 274 S CB 2.040 65.220 63.200 -0.032 0.000 1.138 274 S HN 1.085 nan 8.310 nan 0.000 0.478 275 Q N 1.156 120.941 119.800 -0.025 0.000 2.381 275 Q HA 0.637 4.938 4.340 -0.065 0.000 0.263 275 Q C -0.055 175.950 176.000 0.008 0.000 1.030 275 Q CA -0.820 54.999 55.803 0.028 0.000 0.772 275 Q CB 1.250 30.043 28.738 0.092 0.000 1.232 275 Q HN 1.024 nan 8.270 nan 0.000 0.476 276 A N 2.321 125.148 122.820 0.012 0.000 2.475 276 A HA -0.086 4.195 4.320 -0.065 0.000 0.239 276 A C 0.617 178.235 177.584 0.056 0.000 1.087 276 A CA 0.491 52.539 52.037 0.019 0.000 0.779 276 A CB 0.142 19.140 19.000 -0.003 0.000 1.036 276 A HN 1.066 nan 8.150 nan 0.000 0.506 277 H N 0.156 119.220 119.070 -0.011 0.000 2.352 277 H HA -0.162 4.355 4.556 -0.065 0.000 0.299 277 H C 1.788 177.128 175.328 0.020 0.000 1.097 277 H CA 2.526 58.580 56.048 0.009 0.000 1.311 277 H CB 0.032 29.806 29.762 0.021 0.000 1.377 277 H HN 0.727 nan 8.280 nan 0.000 0.504 278 K N -1.126 119.240 120.400 -0.058 0.000 2.280 278 K HA -0.070 4.211 4.320 -0.065 0.000 0.202 278 K C 1.137 177.680 176.600 -0.095 0.000 1.047 278 K CA 1.258 57.485 56.287 -0.101 0.000 0.942 278 K CB 0.003 32.501 32.500 -0.004 0.000 0.739 278 K HN 0.600 nan 8.250 nan 0.000 0.457 279 G N 0.393 109.164 108.800 -0.049 0.000 2.296 279 G HA2 -0.192 3.729 3.960 -0.065 0.000 0.188 279 G HA3 -0.192 3.729 3.960 -0.065 0.000 0.188 279 G C -0.391 174.541 174.900 0.052 0.000 1.000 279 G CA 0.083 45.180 45.100 -0.004 0.000 0.672 279 G HN 0.430 nan 8.290 nan 0.000 0.483 280 E N 2.028 122.249 120.200 0.034 0.000 2.283 280 E HA 0.563 4.874 4.350 -0.065 0.000 0.271 280 E C -0.013 176.611 176.600 0.040 0.000 1.031 280 E CA -0.753 55.684 56.400 0.061 0.000 0.868 280 E CB 1.201 30.928 29.700 0.044 0.000 1.094 280 E HN 0.354 nan 8.360 nan 0.000 0.401 281 L N 1.668 122.895 121.223 0.007 0.000 2.380 281 L HA 0.239 4.540 4.340 -0.065 0.000 0.273 281 L C -0.257 176.596 176.870 -0.029 0.000 1.138 281 L CA -0.793 53.991 54.840 -0.093 0.000 0.832 281 L CB 1.150 43.010 42.059 -0.331 0.000 1.124 281 L HN 0.318 nan 8.230 nan 0.000 0.454 282 V N 5.162 125.072 119.914 -0.005 0.000 2.407 282 V HA 0.474 4.555 4.120 -0.065 0.000 0.291 282 V C -0.091 176.016 176.094 0.021 0.000 1.018 282 V CA -0.324 62.010 62.300 0.057 0.000 0.842 282 V CB 1.621 33.493 31.823 0.083 0.000 0.996 282 V HN 0.751 nan 8.190 nan 0.000 0.426 283 M N 3.773 123.344 119.600 -0.047 0.000 2.572 283 M HA 0.880 5.320 4.480 -0.065 0.000 0.299 283 M C -0.287 175.873 176.300 -0.233 0.000 1.205 283 M CA -0.239 54.986 55.300 -0.125 0.000 0.876 283 M CB 2.613 35.096 32.600 -0.195 0.000 1.728 283 M HN 0.788 nan 8.290 nan 0.000 0.458 284 G N 0.873 109.392 108.800 -0.468 0.000 2.645 284 G HA2 0.860 4.781 3.960 -0.065 0.000 0.292 284 G HA3 0.860 4.781 3.960 -0.065 0.000 0.292 284 G C -1.881 172.189 174.900 -1.383 0.000 1.415 284 G CA -0.018 44.714 45.100 -0.615 0.000 0.785 284 G HN 1.033 nan 8.290 nan 0.000 0.483 285 A N -1.327 121.005 122.820 -0.813 0.000 3.508 285 A HA 0.952 5.233 4.320 -0.065 0.000 0.169 285 A C 0.688 178.208 177.584 -0.107 0.000 0.817 285 A CA 0.502 52.045 52.037 -0.824 0.000 1.256 285 A CB 0.091 18.708 19.000 -0.639 0.000 2.053 285 A HN 2.035 nan 8.150 nan 0.000 0.825 286 G N -0.268 108.575 108.800 0.072 0.000 2.528 286 G HA2 0.537 4.458 3.960 -0.065 0.000 0.289 286 G HA3 0.537 4.458 3.960 -0.065 0.000 0.289 286 G C 0.362 175.311 174.900 0.082 0.000 1.192 286 G CA -0.013 45.240 45.100 0.255 0.000 0.921 286 G HN 1.207 nan 8.290 nan 0.000 0.512 287 I N -2.058 118.548 120.570 0.061 0.000 3.211 287 I HA 0.367 4.498 4.170 -0.065 0.000 0.297 287 I C -0.692 175.362 176.117 -0.104 0.000 1.095 287 I CA -0.756 60.522 61.300 -0.037 0.000 1.239 287 I CB 0.874 38.826 38.000 -0.081 0.000 1.455 287 I HN 0.170 nan 8.210 nan 0.000 0.630 288 D N 1.984 122.269 120.400 -0.192 0.000 2.232 288 D HA 0.118 4.719 4.640 -0.065 0.000 0.242 288 D C 0.963 177.031 176.300 -0.386 0.000 1.093 288 D CA -0.014 53.801 54.000 -0.309 0.000 0.845 288 D CB 2.000 42.508 40.800 -0.488 0.000 1.124 288 D HN 0.765 nan 8.370 nan 0.000 0.467 289 S N 2.283 117.835 115.700 -0.247 0.000 2.423 289 S HA -0.146 4.285 4.470 -0.065 0.000 0.231 289 S C 0.948 175.573 174.600 0.043 0.000 1.014 289 S CA 0.527 58.628 58.200 -0.164 0.000 0.965 289 S CB -0.433 62.755 63.200 -0.019 0.000 0.785 289 S HN 0.559 nan 8.310 nan 0.000 0.495 290 Y N 1.453 121.864 120.300 0.184 0.000 2.298 290 Y HA 0.675 5.185 4.550 -0.067 0.000 0.329 290 Y C 0.037 176.067 175.900 0.216 0.000 1.293 290 Y CA -1.931 56.279 58.100 0.184 0.000 1.388 290 Y CB -0.167 38.357 38.460 0.106 0.000 1.309 290 Y HN -0.172 nan 8.280 nan 0.000 0.544 291 N N 0.341 119.171 118.700 0.218 0.000 2.530 291 N HA 0.554 5.255 4.740 -0.065 0.000 0.273 291 N C -0.358 175.224 175.510 0.119 0.000 1.173 291 N CA 0.298 53.315 53.050 -0.055 0.000 0.967 291 N CB 1.330 39.772 38.487 -0.074 0.000 1.109 291 N HN 1.028 nan 8.380 nan 0.000 0.453 292 G N 0.254 109.014 108.800 -0.068 0.000 2.716 292 G HA2 0.348 4.269 3.960 -0.065 0.000 0.299 292 G HA3 0.348 4.269 3.960 -0.065 0.000 0.299 292 G C -1.305 173.520 174.900 -0.125 0.000 1.450 292 G CA -0.503 44.639 45.100 0.070 0.000 0.968 292 G HN 0.531 nan 8.290 nan 0.000 0.566 293 Y N 1.239 121.537 120.300 -0.004 0.000 2.584 293 Y HA 0.285 4.803 4.550 -0.054 0.000 0.254 293 Y C 2.136 178.050 175.900 0.023 0.000 1.177 293 Y CA 0.251 58.326 58.100 -0.042 0.000 1.216 293 Y CB 1.652 40.055 38.460 -0.094 0.000 1.172 293 Y HN 0.684 nan 8.280 nan 0.000 0.529 294 G N -0.607 108.302 108.800 0.182 0.000 2.744 294 G HA2 -0.076 3.845 3.960 -0.065 0.000 0.211 294 G HA3 -0.076 3.845 3.960 -0.065 0.000 0.211 294 G C 0.612 175.595 174.900 0.139 0.000 1.143 294 G CA 0.058 45.252 45.100 0.158 0.000 0.788 294 G HN 0.388 nan 8.290 nan 0.000 0.534 295 Q N -0.806 119.065 119.800 0.118 0.000 2.468 295 Q HA -0.214 4.087 4.340 -0.065 0.000 0.289 295 Q C 0.170 176.250 176.000 0.133 0.000 1.299 295 Q CA 1.278 57.154 55.803 0.122 0.000 0.838 295 Q CB -1.766 27.060 28.738 0.146 0.000 1.195 295 Q HN 0.919 nan 8.270 nan 0.000 0.456 296 R N -2.554 118.014 120.500 0.113 0.000 2.728 296 R HA 0.813 5.114 4.340 -0.065 0.000 0.274 296 R C -0.642 175.724 176.300 0.110 0.000 1.032 296 R CA -0.404 55.763 56.100 0.112 0.000 0.866 296 R CB 1.098 31.474 30.300 0.127 0.000 1.263 296 R HN 0.094 nan 8.270 nan 0.000 0.475 297 G N -0.108 108.748 108.800 0.094 0.000 2.721 297 G HA2 0.657 4.578 3.960 -0.065 0.000 0.296 297 G HA3 0.657 4.578 3.960 -0.065 0.000 0.296 297 G C -1.458 173.492 174.900 0.083 0.000 1.383 297 G CA -0.575 44.590 45.100 0.110 0.000 0.788 297 G HN 0.726 nan 8.290 nan 0.000 0.500 298 A N -0.681 122.168 122.820 0.048 0.000 2.351 298 A HA 0.558 4.839 4.320 -0.065 0.000 0.257 298 A C 0.639 178.170 177.584 -0.087 0.000 1.087 298 A CA -0.331 51.716 52.037 0.017 0.000 0.798 298 A CB 0.398 19.430 19.000 0.054 0.000 1.033 298 A HN 0.990 nan 8.150 nan 0.000 0.488 299 F N 1.281 121.177 119.950 -0.089 0.000 2.365 299 F HA -0.147 4.340 4.527 -0.066 0.000 0.300 299 F C 2.160 177.914 175.800 -0.077 0.000 1.090 299 F CA 2.363 60.320 58.000 -0.071 0.000 1.408 299 F CB -0.385 38.613 39.000 -0.002 0.000 1.060 299 F HN 0.906 nan 8.300 nan 0.000 0.534 300 H N -2.333 116.761 119.070 0.040 0.000 2.457 300 H HA -0.114 4.403 4.556 -0.065 0.000 0.297 300 H C 1.945 177.193 175.328 -0.134 0.000 1.092 300 H CA 1.657 57.682 56.048 -0.037 0.000 1.309 300 H CB -1.421 28.359 29.762 0.029 0.000 1.382 300 H HN 0.170 nan 8.280 nan 0.000 0.535 301 V N 1.197 120.833 119.914 -0.463 0.000 2.343 301 V HA -0.212 3.869 4.120 -0.065 0.000 0.247 301 V C 2.424 178.323 176.094 -0.325 0.000 1.051 301 V CA 1.523 63.644 62.300 -0.297 0.000 1.036 301 V CB -0.396 31.239 31.823 -0.313 0.000 0.654 301 V HN 0.434 nan 8.190 nan 0.000 0.451 302 I N -0.208 120.057 120.570 -0.508 0.000 2.252 302 I HA -0.227 3.904 4.170 -0.065 0.000 0.245 302 I C 2.569 178.366 176.117 -0.534 0.000 1.102 302 I CA 1.508 62.439 61.300 -0.614 0.000 1.385 302 I CB -1.328 36.047 38.000 -1.043 0.000 1.064 302 I HN 0.425 nan 8.210 nan 0.000 0.414 303 Q N 0.619 120.081 119.800 -0.563 0.000 2.061 303 Q HA -0.235 4.066 4.340 -0.065 0.000 0.204 303 Q C 2.147 178.064 176.000 -0.138 0.000 0.984 303 Q CA 1.708 57.355 55.803 -0.261 0.000 0.846 303 Q CB -0.113 28.570 28.738 -0.093 0.000 0.902 303 Q HN 0.560 nan 8.270 nan 0.000 0.421 304 E N 0.497 120.628 120.200 -0.114 0.000 2.110 304 E HA -0.222 4.088 4.350 -0.065 0.000 0.193 304 E C 2.075 178.622 176.600 -0.089 0.000 0.988 304 E CA 1.298 57.659 56.400 -0.065 0.000 0.804 304 E CB -0.045 29.641 29.700 -0.024 0.000 0.745 304 E HN 0.485 nan 8.360 nan 0.000 0.458 305 Q N -0.084 119.626 119.800 -0.151 0.000 2.311 305 Q HA -0.060 4.241 4.340 -0.065 0.000 0.203 305 Q C 1.974 177.903 176.000 -0.118 0.000 0.954 305 Q CA 0.656 56.358 55.803 -0.167 0.000 0.885 305 Q CB 0.002 28.575 28.738 -0.275 0.000 0.963 305 Q HN 0.183 nan 8.270 nan 0.000 0.471 306 M N 0.989 120.518 119.600 -0.118 0.000 2.132 306 M HA -0.017 4.424 4.480 -0.065 0.000 0.263 306 M C 2.267 178.557 176.300 -0.017 0.000 1.065 306 M CA 1.570 56.831 55.300 -0.065 0.000 1.122 306 M CB -0.894 31.664 32.600 -0.069 0.000 1.365 306 M HN 0.446 nan 8.290 nan 0.000 0.411 307 A N 0.098 122.903 122.820 -0.024 0.000 1.898 307 A HA 0.032 4.313 4.320 -0.065 0.000 0.216 307 A C 2.401 179.986 177.584 0.003 0.000 1.181 307 A CA 1.916 53.949 52.037 -0.007 0.000 0.620 307 A CB -0.855 18.137 19.000 -0.012 0.000 0.819 307 A HN 0.460 nan 8.150 nan 0.000 0.442 308 A N -0.018 122.800 122.820 -0.004 0.000 1.877 308 A HA 0.139 4.420 4.320 -0.065 0.000 0.216 308 A C 2.515 180.137 177.584 0.064 0.000 1.186 308 A CA 2.180 54.224 52.037 0.011 0.000 0.620 308 A CB -1.049 17.947 19.000 -0.006 0.000 0.822 308 A HN 1.044 nan 8.150 nan 0.000 0.443 309 A N -0.697 122.180 122.820 0.095 0.000 1.902 309 A HA -0.002 4.279 4.320 -0.065 0.000 0.217 309 A C 2.197 179.946 177.584 0.274 0.000 1.181 309 A CA 1.842 54.029 52.037 0.249 0.000 0.623 309 A CB -0.870 18.238 19.000 0.179 0.000 0.818 309 A HN 0.423 nan 8.150 nan 0.000 0.443 310 V N 0.061 120.060 119.914 0.141 0.000 2.548 310 V HA -0.136 3.945 4.120 -0.065 0.000 0.249 310 V C 2.461 178.572 176.094 0.029 0.000 1.055 310 V CA 1.788 64.147 62.300 0.098 0.000 1.065 310 V CB -0.590 31.267 31.823 0.056 0.000 0.681 310 V HN 0.481 nan 8.190 nan 0.000 0.462 311 E N 0.207 120.412 120.200 0.009 0.000 2.072 311 E HA -0.068 4.243 4.350 -0.065 0.000 0.190 311 E C 2.200 178.744 176.600 -0.094 0.000 0.982 311 E CA 1.003 57.382 56.400 -0.035 0.000 0.803 311 E CB -0.128 29.555 29.700 -0.028 0.000 0.755 311 E HN 0.500 nan 8.360 nan 0.000 0.453 312 L N -0.745 120.403 121.223 -0.125 0.000 2.156 312 L HA -0.034 4.267 4.340 -0.065 0.000 0.208 312 L C 0.458 176.899 176.870 -0.715 0.000 1.095 312 L CA 0.623 55.228 54.840 -0.392 0.000 0.770 312 L CB 0.028 41.807 42.059 -0.467 0.000 0.914 312 L HN -0.032 nan 8.230 nan 0.000 0.439 313 F N -1.144 118.659 119.950 -0.245 0.000 2.564 313 F HA 0.327 4.815 4.527 -0.065 0.000 0.361 313 F C -1.746 173.823 175.800 -0.384 0.000 1.161 313 F CA -1.906 55.788 58.000 -0.510 0.000 1.198 313 F CB 0.524 38.834 39.000 -1.149 0.000 1.424 313 F HN -0.256 nan 8.300 nan 0.000 0.517 314 P HA -0.232 nan 4.420 nan 0.000 0.217 314 P C 2.065 179.319 177.300 -0.077 0.000 1.148 314 P CA 1.419 64.469 63.100 -0.083 0.000 0.834 314 P CB 0.372 32.020 31.700 -0.088 0.000 0.783 315 I N -2.184 118.302 120.570 -0.140 0.000 2.756 315 I HA -0.186 3.945 4.170 -0.065 0.000 0.262 315 I C 0.892 177.019 176.117 0.016 0.000 1.225 315 I CA 1.022 62.262 61.300 -0.099 0.000 1.472 315 I CB -0.094 37.826 38.000 -0.132 0.000 1.094 315 I HN -0.168 nan 8.210 nan 0.000 0.454 316 F N 0.843 120.730 119.950 -0.104 0.000 2.811 316 F HA 0.217 4.706 4.527 -0.065 0.000 0.301 316 F C 2.342 178.050 175.800 -0.154 0.000 1.151 316 F CA 0.080 57.975 58.000 -0.176 0.000 1.412 316 F CB -1.543 37.367 39.000 -0.150 0.000 1.113 316 F HN 0.074 nan 8.300 nan 0.000 0.579 317 A N 0.741 123.591 122.820 0.051 0.000 1.917 317 A HA -0.195 4.086 4.320 -0.065 0.000 0.219 317 A C 2.087 179.629 177.584 -0.071 0.000 1.182 317 A CA 1.466 53.502 52.037 -0.002 0.000 0.633 317 A CB -0.434 18.560 19.000 -0.010 0.000 0.819 317 A HN 0.334 nan 8.150 nan 0.000 0.448 318 R N -0.852 119.571 120.500 -0.129 0.000 2.696 318 R HA 0.454 4.755 4.340 -0.065 0.000 0.355 318 R C 0.164 176.171 176.300 -0.490 0.000 1.138 318 R CA 0.188 56.128 56.100 -0.268 0.000 1.059 318 R CB 0.280 30.496 30.300 -0.140 0.000 1.380 318 R HN 0.454 nan 8.270 nan 0.000 0.578 319 A N 0.871 123.460 122.820 -0.386 0.000 2.313 319 A HA 0.289 4.570 4.320 -0.065 0.000 0.261 319 A C -0.365 177.021 177.584 -0.330 0.000 1.090 319 A CA -0.092 51.729 52.037 -0.361 0.000 0.807 319 A CB 0.381 19.140 19.000 -0.403 0.000 1.055 319 A HN 0.305 nan 8.150 nan 0.000 0.492 320 H N -0.220 118.960 119.070 0.184 0.000 2.572 320 H HA 0.352 4.868 4.556 -0.065 0.000 0.359 320 H C -0.891 174.494 175.328 0.095 0.000 1.134 320 H CA -0.685 55.436 56.048 0.121 0.000 1.187 320 H CB 1.515 31.352 29.762 0.125 0.000 1.597 320 H HN 0.371 nan 8.280 nan 0.000 0.524 321 V N 3.772 123.798 119.914 0.188 0.000 2.521 321 V HA -0.103 3.978 4.120 -0.065 0.000 0.286 321 V C 1.148 177.336 176.094 0.156 0.000 1.034 321 V CA 0.217 62.600 62.300 0.139 0.000 1.045 321 V CB 0.789 32.696 31.823 0.139 0.000 0.974 321 V HN 0.572 nan 8.190 nan 0.000 0.480 322 L N 5.013 126.320 121.223 0.140 0.000 2.316 322 L HA 0.421 4.722 4.340 -0.065 0.000 0.207 322 L C 0.911 177.860 176.870 0.131 0.000 1.070 322 L CA 1.166 56.078 54.840 0.120 0.000 0.820 322 L CB 0.001 42.122 42.059 0.104 0.000 0.992 322 L HN 0.703 nan 8.230 nan 0.000 0.466 323 R N -0.882 119.723 120.500 0.175 0.000 2.604 323 R HA 0.454 4.754 4.340 -0.065 0.000 0.261 323 R C -1.426 175.043 176.300 0.281 0.000 1.080 323 R CA 0.159 56.396 56.100 0.228 0.000 0.917 323 R CB 1.258 31.709 30.300 0.251 0.000 1.252 323 R HN 0.179 nan 8.270 nan 0.000 0.456 324 T N -0.295 114.414 114.554 0.258 0.000 2.924 324 T HA 0.857 5.168 4.350 -0.065 0.000 0.291 324 T C -0.740 174.149 174.700 0.314 0.000 1.045 324 T CA -0.626 61.553 62.100 0.132 0.000 1.015 324 T CB 1.464 70.382 68.868 0.084 0.000 1.103 324 T HN 0.716 nan 8.240 nan 0.000 0.496 325 W N -0.388 120.948 121.300 0.061 0.000 2.826 325 W HA 0.803 5.423 4.660 -0.067 0.000 0.410 325 W C -0.914 175.634 176.519 0.048 0.000 1.128 325 W CA -0.953 56.429 57.345 0.062 0.000 1.176 325 W CB 0.551 30.051 29.460 0.067 0.000 1.475 325 W HN 1.050 nan 8.180 nan 0.000 0.588 326 G N -0.521 108.482 108.800 0.337 0.000 2.684 326 G HA2 0.656 4.577 3.960 -0.065 0.000 0.290 326 G HA3 0.656 4.577 3.960 -0.065 0.000 0.290 326 G C -1.284 173.772 174.900 0.261 0.000 1.425 326 G CA -0.139 45.058 45.100 0.162 0.000 0.822 326 G HN 1.297 nan 8.290 nan 0.000 0.482 327 G N -1.524 107.364 108.800 0.146 0.000 3.222 327 G HA2 0.650 4.571 3.960 -0.065 0.000 0.263 327 G HA3 0.650 4.571 3.960 -0.065 0.000 0.263 327 G C -1.328 173.593 174.900 0.036 0.000 1.312 327 G CA -0.815 44.352 45.100 0.111 0.000 0.934 327 G HN 0.735 nan 8.290 nan 0.000 0.577 328 I N 1.336 121.904 120.570 -0.003 0.000 2.493 328 I HA 0.306 4.437 4.170 -0.065 0.000 0.279 328 I C -0.282 175.783 176.117 -0.086 0.000 1.045 328 I CA -0.921 60.323 61.300 -0.093 0.000 1.106 328 I CB 1.826 39.735 38.000 -0.153 0.000 1.216 328 I HN 0.331 nan 8.210 nan 0.000 0.459 329 V N 2.325 122.200 119.914 -0.066 0.000 2.407 329 V HA 0.502 4.583 4.120 -0.065 0.000 0.278 329 V C -0.297 175.773 176.094 -0.039 0.000 1.037 329 V CA -0.463 61.825 62.300 -0.021 0.000 0.900 329 V CB 1.458 33.297 31.823 0.027 0.000 0.983 329 V HN 0.699 nan 8.190 nan 0.000 0.459 330 D N 3.477 123.865 120.400 -0.021 0.000 2.380 330 D HA 0.318 4.918 4.640 -0.065 0.000 0.230 330 D C 0.357 176.672 176.300 0.025 0.000 1.154 330 D CA -0.070 53.915 54.000 -0.025 0.000 0.859 330 D CB 1.363 42.157 40.800 -0.010 0.000 1.045 330 D HN 0.807 nan 8.370 nan 0.000 0.495 331 T N -0.446 114.133 114.554 0.041 0.000 2.925 331 T HA 0.631 4.942 4.350 -0.065 0.000 0.285 331 T C 0.489 175.209 174.700 0.034 0.000 1.021 331 T CA -0.718 61.416 62.100 0.056 0.000 1.042 331 T CB 1.668 70.595 68.868 0.098 0.000 1.037 331 T HN 0.457 nan 8.240 nan 0.000 0.481 332 T N 0.291 114.867 114.554 0.035 0.000 2.948 332 T HA 0.417 4.728 4.350 -0.065 0.000 0.285 332 T C 1.395 176.155 174.700 0.100 0.000 1.019 332 T CA -1.173 60.934 62.100 0.013 0.000 1.013 332 T CB 1.050 69.963 68.868 0.075 0.000 1.117 332 T HN 0.426 nan 8.240 nan 0.000 0.533 333 M N 1.409 121.057 119.600 0.080 0.000 2.394 333 M HA 0.024 4.465 4.480 -0.065 0.000 0.264 333 M C 1.141 177.663 176.300 0.369 0.000 1.073 333 M CA 1.149 56.577 55.300 0.213 0.000 1.111 333 M CB -1.221 31.461 32.600 0.136 0.000 1.401 333 M HN 0.863 nan 8.290 nan 0.000 0.448 334 D N -0.917 119.661 120.400 0.296 0.000 2.398 334 D HA 0.312 4.913 4.640 -0.065 0.000 0.210 334 D C 0.804 176.948 176.300 -0.260 0.000 1.094 334 D CA 0.609 54.642 54.000 0.055 0.000 0.839 334 D CB -0.118 40.670 40.800 -0.020 0.000 0.963 334 D HN 0.187 nan 8.370 nan 0.000 0.506 335 A N -0.925 121.845 122.820 -0.083 0.000 2.887 335 A HA -0.160 4.121 4.320 -0.065 0.000 0.257 335 A C 0.432 177.976 177.584 -0.065 0.000 1.372 335 A CA 0.860 52.828 52.037 -0.114 0.000 0.879 335 A CB -2.309 16.535 19.000 -0.260 0.000 1.082 335 A HN 0.292 nan 8.150 nan 0.000 0.703 336 S N 0.945 116.619 115.700 -0.044 0.000 2.537 336 S HA 0.751 5.182 4.470 -0.065 0.000 0.301 336 S C -2.088 172.414 174.600 -0.163 0.000 1.092 336 S CA -0.878 57.282 58.200 -0.067 0.000 1.048 336 S CB 2.048 65.281 63.200 0.054 0.000 1.053 336 S HN 0.469 nan 8.310 nan 0.000 0.501 337 P HA 0.355 nan 4.420 nan 0.000 0.275 337 P C -1.054 176.033 177.300 -0.356 0.000 1.266 337 P CA -0.358 62.277 63.100 -0.775 0.000 0.793 337 P CB 0.620 31.055 31.700 -2.109 0.000 1.074 338 I N 1.087 121.508 120.570 -0.248 0.000 2.448 338 I HA 0.310 4.440 4.170 -0.065 0.000 0.281 338 I C -0.383 175.742 176.117 0.013 0.000 1.027 338 I CA -0.549 60.750 61.300 -0.002 0.000 1.111 338 I CB 0.911 38.975 38.000 0.107 0.000 1.236 338 I HN 0.100 nan 8.210 nan 0.000 0.452 339 I N 6.470 127.065 120.570 0.041 0.000 2.495 339 I HA 0.427 4.558 4.170 -0.065 0.000 0.277 339 I C 0.020 176.204 176.117 0.112 0.000 1.045 339 I CA 0.147 61.504 61.300 0.095 0.000 1.135 339 I CB 1.315 39.361 38.000 0.077 0.000 1.241 339 I HN 0.603 nan 8.210 nan 0.000 0.469 340 S N 3.944 119.720 115.700 0.127 0.000 2.655 340 S HA 0.599 5.030 4.470 -0.065 0.000 0.266 340 S C -0.967 173.717 174.600 0.139 0.000 1.149 340 S CA -1.243 57.031 58.200 0.123 0.000 0.818 340 S CB 1.149 64.407 63.200 0.097 0.000 1.130 340 S HN 0.317 nan 8.310 nan 0.000 0.476 341 K N 0.631 121.102 120.400 0.118 0.000 2.149 341 K HA 0.572 4.853 4.320 -0.065 0.000 0.245 341 K C 0.406 176.937 176.600 -0.115 0.000 1.024 341 K CA 0.049 56.360 56.287 0.039 0.000 0.899 341 K CB 0.461 32.985 32.500 0.039 0.000 1.038 341 K HN 0.867 nan 8.250 nan 0.000 0.496 342 T N -3.034 111.337 114.554 -0.305 0.000 2.773 342 T HA 0.324 4.635 4.350 -0.065 0.000 0.278 342 T C -2.196 172.282 174.700 -0.369 0.000 1.011 342 T CA -1.637 60.195 62.100 -0.447 0.000 1.014 342 T CB 1.287 69.553 68.868 -1.003 0.000 1.293 342 T HN 0.202 nan 8.240 nan 0.000 0.554 343 P HA 0.235 nan 4.420 nan 0.000 0.230 343 P C -0.112 177.048 177.300 -0.232 0.000 1.158 343 P CA 0.406 63.382 63.100 -0.207 0.000 0.769 343 P CB 0.015 31.647 31.700 -0.113 0.000 0.807 344 I N 0.394 120.749 120.570 -0.359 0.000 2.315 344 I HA 0.202 4.333 4.170 -0.065 0.000 0.291 344 I C 0.649 176.573 176.117 -0.321 0.000 1.006 344 I CA -1.472 59.645 61.300 -0.304 0.000 1.265 344 I CB 0.296 38.086 38.000 -0.351 0.000 1.387 344 I HN -0.065 nan 8.210 nan 0.000 0.475 345 Q N 6.523 126.190 119.800 -0.222 0.000 2.330 345 Q HA 0.010 4.311 4.340 -0.065 0.000 0.279 345 Q C 0.470 176.314 176.000 -0.260 0.000 1.024 345 Q CA 0.849 56.527 55.803 -0.209 0.000 0.900 345 Q CB 0.267 28.936 28.738 -0.116 0.000 1.221 345 Q HN 0.537 nan 8.270 nan 0.000 0.396 346 N N 0.786 119.284 118.700 -0.337 0.000 2.828 346 N HA -0.230 4.471 4.740 -0.065 0.000 0.248 346 N C -1.216 173.939 175.510 -0.592 0.000 1.044 346 N CA 1.010 53.856 53.050 -0.339 0.000 0.851 346 N CB -1.340 37.106 38.487 -0.069 0.000 1.136 346 N HN 0.482 nan 8.380 nan 0.000 0.572 347 L N 0.950 121.698 121.223 -0.792 0.000 2.313 347 L HA 0.529 4.830 4.340 -0.065 0.000 0.283 347 L C -0.841 175.497 176.870 -0.887 0.000 1.013 347 L CA -0.814 53.642 54.840 -0.641 0.000 0.816 347 L CB 0.796 42.559 42.059 -0.494 0.000 1.236 347 L HN 0.044 nan 8.230 nan 0.000 0.419 348 Y N 3.504 123.736 120.300 -0.114 0.000 2.524 348 Y HA 0.763 5.273 4.550 -0.066 0.000 0.344 348 Y C -0.429 175.459 175.900 -0.021 0.000 1.012 348 Y CA -0.933 57.119 58.100 -0.079 0.000 1.068 348 Y CB 2.149 40.581 38.460 -0.046 0.000 1.249 348 Y HN 0.376 nan 8.280 nan 0.000 0.468 349 V N 2.777 122.790 119.914 0.166 0.000 2.760 349 V HA 0.471 4.552 4.120 -0.065 0.000 0.309 349 V C -1.424 174.787 176.094 0.194 0.000 1.077 349 V CA -0.674 61.741 62.300 0.191 0.000 0.910 349 V CB 1.908 33.888 31.823 0.261 0.000 1.008 349 V HN 0.928 nan 8.190 nan 0.000 0.424 350 N N 5.802 124.628 118.700 0.210 0.000 2.491 350 N HA 0.641 5.342 4.740 -0.065 0.000 0.274 350 N C -0.889 174.800 175.510 0.298 0.000 1.023 350 N CA -0.094 53.118 53.050 0.270 0.000 0.902 350 N CB 1.705 40.356 38.487 0.273 0.000 1.267 350 N HN 1.003 nan 8.380 nan 0.000 0.503 351 C N -0.121 119.344 119.300 0.275 0.000 3.272 351 C HA 0.815 5.236 4.460 -0.065 0.000 0.363 351 C C 1.191 176.254 174.990 0.121 0.000 1.514 351 C CA 0.212 59.368 59.018 0.231 0.000 1.185 351 C CB 0.618 28.442 27.740 0.141 0.000 1.716 351 C HN 0.813 nan 8.230 nan 0.000 0.440 352 G N -0.512 108.342 108.800 0.091 0.000 2.162 352 G HA2 -0.303 3.618 3.960 -0.065 0.000 0.260 352 G HA3 -0.303 3.618 3.960 -0.065 0.000 0.260 352 G C 0.219 175.105 174.900 -0.022 0.000 0.976 352 G CA 0.933 46.036 45.100 0.006 0.000 0.655 352 G HN 1.166 nan 8.290 nan 0.000 0.533 353 W N 0.806 122.124 121.300 0.030 0.000 2.595 353 W HA 0.340 4.959 4.660 -0.068 0.000 0.257 353 W C 2.274 178.816 176.519 0.040 0.000 1.267 353 W CA 1.452 58.823 57.345 0.043 0.000 1.300 353 W CB -0.172 29.343 29.460 0.092 0.000 1.120 353 W HN 0.962 nan 8.180 nan 0.000 0.618 354 G N 1.110 110.030 108.800 0.200 0.000 2.690 354 G HA2 -0.532 3.389 3.960 -0.065 0.000 0.334 354 G HA3 -0.532 3.389 3.960 -0.065 0.000 0.334 354 G C 1.145 176.115 174.900 0.116 0.000 1.250 354 G CA 2.509 47.677 45.100 0.113 0.000 0.994 354 G HN 0.340 nan 8.290 nan 0.000 0.549 355 T N -1.550 113.056 114.554 0.086 0.000 3.113 355 T HA 0.436 4.747 4.350 -0.065 0.000 0.256 355 T C 1.617 176.392 174.700 0.125 0.000 1.131 355 T CA 1.411 63.559 62.100 0.079 0.000 1.074 355 T CB 0.310 69.198 68.868 0.033 0.000 0.944 355 T HN 1.768 nan 8.240 nan 0.000 0.516 356 G N -0.191 108.740 108.800 0.220 0.000 4.250 356 G HA2 0.498 4.418 3.960 -0.065 0.000 0.295 356 G HA3 0.498 4.418 3.960 -0.065 0.000 0.295 356 G C 0.935 176.107 174.900 0.453 0.000 1.081 356 G CA -0.049 45.234 45.100 0.306 0.000 0.854 356 G HN 0.451 nan 8.290 nan 0.000 0.524 357 G N 0.142 109.167 108.800 0.375 0.000 2.712 357 G HA2 -0.005 3.916 3.960 -0.065 0.000 0.212 357 G HA3 -0.005 3.916 3.960 -0.065 0.000 0.212 357 G C 1.217 176.216 174.900 0.165 0.000 1.142 357 G CA 0.279 45.523 45.100 0.241 0.000 0.789 357 G HN 0.348 nan 8.290 nan 0.000 0.535 358 F N 2.810 122.824 119.950 0.106 0.000 2.102 358 F HA -0.078 4.409 4.527 -0.067 0.000 0.298 358 F C 2.754 178.734 175.800 0.300 0.000 1.105 358 F CA 1.925 60.014 58.000 0.148 0.000 1.239 358 F CB -0.031 39.043 39.000 0.124 0.000 0.991 358 F HN 0.243 nan 8.300 nan 0.000 0.474 359 K N -0.463 120.087 120.400 0.249 0.000 2.209 359 K HA -0.015 4.266 4.320 -0.065 0.000 0.204 359 K C 1.930 178.752 176.600 0.370 0.000 1.048 359 K CA 1.481 57.938 56.287 0.284 0.000 0.940 359 K CB -1.059 31.619 32.500 0.297 0.000 0.729 359 K HN 0.336 nan 8.250 nan 0.000 0.451 360 G N 0.663 109.532 108.800 0.116 0.000 3.088 360 G HA2 -0.037 3.884 3.960 -0.065 0.000 0.212 360 G HA3 -0.037 3.884 3.960 -0.065 0.000 0.212 360 G C 0.914 175.397 174.900 -0.695 0.000 1.173 360 G CA 0.086 45.001 45.100 -0.308 0.000 0.779 360 G HN 0.256 nan 8.290 nan 0.000 0.540 361 T N 2.272 116.542 114.554 -0.473 0.000 2.635 361 T HA -0.129 4.182 4.350 -0.065 0.000 0.267 361 T C 0.143 174.413 174.700 -0.717 0.000 1.040 361 T CA 1.715 63.435 62.100 -0.634 0.000 1.156 361 T CB -0.695 67.907 68.868 -0.443 0.000 0.863 361 T HN 0.268 nan 8.240 nan 0.000 0.430 362 P HA 0.014 nan 4.420 nan 0.000 0.215 362 P C 1.753 178.799 177.300 -0.422 0.000 1.157 362 P CA 1.129 63.964 63.100 -0.441 0.000 0.863 362 P CB -0.472 30.854 31.700 -0.623 0.000 0.787 363 G N -0.099 108.437 108.800 -0.439 0.000 2.432 363 G HA2 -0.216 3.705 3.960 -0.065 0.000 0.219 363 G HA3 -0.216 3.705 3.960 -0.065 0.000 0.219 363 G C 1.624 176.337 174.900 -0.311 0.000 1.135 363 G CA 0.897 45.784 45.100 -0.355 0.000 0.767 363 G HN 0.308 nan 8.290 nan 0.000 0.550 364 A N 0.917 123.427 122.820 -0.517 0.000 1.873 364 A HA 0.190 4.471 4.320 -0.065 0.000 0.215 364 A C 2.707 180.080 177.584 -0.351 0.000 1.186 364 A CA 2.044 53.781 52.037 -0.500 0.000 0.616 364 A CB -1.060 17.142 19.000 -1.329 0.000 0.823 364 A HN 0.483 nan 8.150 nan 0.000 0.442 365 G N -1.362 107.213 108.800 -0.374 0.000 2.402 365 G HA2 -0.201 3.720 3.960 -0.065 0.000 0.216 365 G HA3 -0.201 3.720 3.960 -0.065 0.000 0.216 365 G C 1.479 176.314 174.900 -0.108 0.000 1.162 365 G CA 1.104 46.130 45.100 -0.124 0.000 0.777 365 G HN 0.476 nan 8.290 nan 0.000 0.539 366 F N 2.650 122.210 119.950 -0.649 0.000 2.102 366 F HA -0.156 4.332 4.527 -0.065 0.000 0.298 366 F C 3.034 178.603 175.800 -0.384 0.000 1.105 366 F CA 2.518 60.007 58.000 -0.852 0.000 1.239 366 F CB -0.437 37.945 39.000 -1.030 0.000 0.991 366 F HN 0.225 nan 8.300 nan 0.000 0.474 367 T N -1.362 113.073 114.554 -0.199 0.000 2.896 367 T HA -0.124 4.187 4.350 -0.065 0.000 0.263 367 T C 1.859 176.485 174.700 -0.124 0.000 1.050 367 T CA 1.073 63.067 62.100 -0.176 0.000 1.140 367 T CB -0.834 68.002 68.868 -0.053 0.000 0.877 367 T HN 0.281 nan 8.240 nan 0.000 0.457 368 L N 1.854 123.008 121.223 -0.114 0.000 2.056 368 L HA 0.332 4.633 4.340 -0.065 0.000 0.207 368 L C 2.819 179.581 176.870 -0.180 0.000 1.078 368 L CA 1.598 56.378 54.840 -0.099 0.000 0.749 368 L CB -1.251 40.773 42.059 -0.058 0.000 0.901 368 L HN 0.341 nan 8.230 nan 0.000 0.433 369 A N -1.290 121.425 122.820 -0.175 0.000 1.883 369 A HA -0.302 3.979 4.320 -0.065 0.000 0.217 369 A C 2.424 179.732 177.584 -0.461 0.000 1.186 369 A CA 1.816 53.717 52.037 -0.228 0.000 0.624 369 A CB -1.151 17.827 19.000 -0.036 0.000 0.822 369 A HN 0.697 nan 8.150 nan 0.000 0.444 370 H N -0.004 118.794 119.070 -0.454 0.000 2.387 370 H HA -0.097 4.420 4.556 -0.066 0.000 0.299 370 H C 1.967 177.074 175.328 -0.368 0.000 1.090 370 H CA 2.051 57.840 56.048 -0.431 0.000 1.332 370 H CB -0.265 29.355 29.762 -0.236 0.000 1.386 370 H HN 0.429 nan 8.280 nan 0.000 0.516 371 T N 1.248 115.717 114.554 -0.141 0.000 2.777 371 T HA -0.061 4.250 4.350 -0.065 0.000 0.266 371 T C 2.401 176.764 174.700 -0.561 0.000 1.040 371 T CA 1.246 63.227 62.100 -0.198 0.000 1.141 371 T CB -0.122 68.666 68.868 -0.132 0.000 0.868 371 T HN 0.258 nan 8.240 nan 0.000 0.444 372 I N 1.382 121.514 120.570 -0.730 0.000 2.142 372 I HA -0.189 3.942 4.170 -0.065 0.000 0.240 372 I C 2.957 178.726 176.117 -0.580 0.000 1.078 372 I CA 1.221 61.955 61.300 -0.944 0.000 1.343 372 I CB -0.503 37.149 38.000 -0.580 0.000 1.046 372 I HN 0.190 nan 8.210 nan 0.000 0.405 373 A N 0.676 123.158 122.820 -0.564 0.000 1.908 373 A HA -0.195 4.086 4.320 -0.065 0.000 0.218 373 A C 1.952 179.329 177.584 -0.346 0.000 1.181 373 A CA 1.925 53.674 52.037 -0.481 0.000 0.627 373 A CB -0.535 17.979 19.000 -0.811 0.000 0.818 373 A HN 0.486 nan 8.150 nan 0.000 0.445 374 N N -1.190 117.278 118.700 -0.387 0.000 2.254 374 N HA 0.014 4.715 4.740 -0.065 0.000 0.190 374 N C -0.168 175.270 175.510 -0.120 0.000 1.107 374 N CA 0.852 53.758 53.050 -0.241 0.000 0.869 374 N CB 0.326 38.638 38.487 -0.291 0.000 0.983 374 N HN 0.464 nan 8.380 nan 0.000 0.487 375 D N 1.781 122.104 120.400 -0.128 0.000 2.837 375 D HA -0.193 4.408 4.640 -0.065 0.000 0.230 375 D C -0.891 175.452 176.300 0.071 0.000 1.152 375 D CA 1.075 55.109 54.000 0.056 0.000 0.736 375 D CB -1.106 39.757 40.800 0.104 0.000 1.084 375 D HN 0.712 nan 8.370 nan 0.000 0.429 376 E N -1.711 118.502 120.200 0.022 0.000 2.347 376 E HA 0.497 4.808 4.350 -0.065 0.000 0.285 376 E C -3.035 173.619 176.600 0.090 0.000 0.925 376 E CA -1.916 54.518 56.400 0.056 0.000 0.779 376 E CB 1.938 31.663 29.700 0.043 0.000 1.233 376 E HN -0.060 nan 8.360 nan 0.000 0.414 377 P HA -0.074 nan 4.420 nan 0.000 0.269 377 P C -0.416 176.935 177.300 0.085 0.000 1.215 377 P CA -0.017 63.140 63.100 0.096 0.000 0.780 377 P CB 0.632 32.374 31.700 0.070 0.000 0.898 378 H N 1.240 120.259 119.070 -0.086 0.000 2.660 378 H HA 0.008 4.525 4.556 -0.065 0.000 0.374 378 H C 1.110 176.357 175.328 -0.135 0.000 1.291 378 H CA 0.198 56.038 56.048 -0.347 0.000 1.437 378 H CB 1.023 30.493 29.762 -0.487 0.000 1.509 378 H HN 0.416 nan 8.280 nan 0.000 0.614 379 E N 1.779 121.770 120.200 -0.349 0.000 2.153 379 E HA -0.096 4.215 4.350 -0.065 0.000 0.194 379 E C 2.240 178.911 176.600 0.118 0.000 0.988 379 E CA 1.018 57.361 56.400 -0.095 0.000 0.811 379 E CB -0.166 29.441 29.700 -0.155 0.000 0.746 379 E HN 0.669 nan 8.360 nan 0.000 0.466 380 L N 0.938 122.392 121.223 0.386 0.000 2.141 380 L HA -0.122 4.179 4.340 -0.065 0.000 0.209 380 L C 1.765 178.781 176.870 0.244 0.000 1.094 380 L CA 1.366 56.360 54.840 0.257 0.000 0.763 380 L CB -0.567 41.598 42.059 0.177 0.000 0.908 380 L HN 0.332 nan 8.230 nan 0.000 0.437 381 N N -0.332 118.497 118.700 0.215 0.000 2.203 381 N HA -0.093 4.608 4.740 -0.065 0.000 0.207 381 N C 1.406 177.018 175.510 0.168 0.000 1.130 381 N CA 0.027 53.232 53.050 0.259 0.000 0.861 381 N CB 0.161 38.735 38.487 0.146 0.000 1.005 381 N HN 0.274 nan 8.380 nan 0.000 0.507 382 K N 1.702 122.148 120.400 0.077 0.000 2.063 382 K HA -0.024 4.257 4.320 -0.065 0.000 0.208 382 K C -0.844 175.708 176.600 -0.080 0.000 1.048 382 K CA 1.267 57.554 56.287 0.001 0.000 0.928 382 K CB -0.487 31.997 32.500 -0.027 0.000 0.713 382 K HN 0.125 nan 8.250 nan 0.000 0.442 383 P HA -0.058 nan 4.420 nan 0.000 0.229 383 P C -0.183 176.784 177.300 -0.556 0.000 1.160 383 P CA 0.804 63.651 63.100 -0.422 0.000 0.777 383 P CB 0.113 31.450 31.700 -0.605 0.000 0.814 384 F N 0.357 120.232 119.950 -0.124 0.000 2.894 384 F HA 0.186 4.674 4.527 -0.065 0.000 0.310 384 F C 1.255 176.998 175.800 -0.096 0.000 1.204 384 F CA -0.563 57.342 58.000 -0.158 0.000 1.290 384 F CB -0.836 38.035 39.000 -0.216 0.000 1.317 384 F HN -0.144 nan 8.300 nan 0.000 0.545 385 S N -1.005 114.699 115.700 0.007 0.000 2.693 385 S HA 0.437 4.868 4.470 -0.065 0.000 0.276 385 S C 1.137 175.786 174.600 0.082 0.000 1.192 385 S CA -0.764 57.462 58.200 0.044 0.000 0.994 385 S CB 1.283 64.490 63.200 0.011 0.000 1.012 385 S HN 0.389 nan 8.310 nan 0.000 0.550 386 L N 0.354 121.654 121.223 0.129 0.000 2.093 386 L HA -0.046 4.255 4.340 -0.065 0.000 0.208 386 L C 2.496 179.484 176.870 0.197 0.000 1.085 386 L CA 1.302 56.271 54.840 0.215 0.000 0.755 386 L CB -0.630 41.533 42.059 0.174 0.000 0.904 386 L HN 0.690 nan 8.230 nan 0.000 0.435 387 E N 0.179 120.434 120.200 0.092 0.000 2.209 387 E HA -0.241 4.069 4.350 -0.065 0.000 0.196 387 E C 1.964 178.570 176.600 0.010 0.000 0.993 387 E CA 0.993 57.428 56.400 0.058 0.000 0.819 387 E CB -0.320 29.400 29.700 0.033 0.000 0.745 387 E HN 0.455 nan 8.360 nan 0.000 0.477 388 R N -0.100 120.352 120.500 -0.080 0.000 2.170 388 R HA -0.151 4.150 4.340 -0.065 0.000 0.242 388 R C 1.376 177.477 176.300 -0.331 0.000 1.145 388 R CA 1.473 57.435 56.100 -0.230 0.000 0.984 388 R CB -0.692 29.370 30.300 -0.397 0.000 0.869 388 R HN 0.139 nan 8.270 nan 0.000 0.455 389 F N 1.026 120.962 119.950 -0.025 0.000 2.661 389 F HA 0.099 4.587 4.527 -0.064 0.000 0.298 389 F C 2.398 178.177 175.800 -0.035 0.000 1.137 389 F CA 0.974 58.957 58.000 -0.028 0.000 1.454 389 F CB 0.007 39.000 39.000 -0.010 0.000 1.103 389 F HN 0.212 nan 8.300 nan 0.000 0.577 390 E N -0.067 120.183 120.200 0.083 0.000 2.201 390 E HA -0.101 4.210 4.350 -0.065 0.000 0.193 390 E C 2.108 178.680 176.600 -0.047 0.000 0.957 390 E CA 1.230 57.650 56.400 0.033 0.000 0.858 390 E CB 0.053 29.777 29.700 0.039 0.000 0.816 390 E HN 0.346 nan 8.360 nan 0.000 0.475 391 T N -3.059 111.429 114.554 -0.110 0.000 2.985 391 T HA 0.167 4.478 4.350 -0.065 0.000 0.266 391 T C 1.564 176.016 174.700 -0.414 0.000 1.076 391 T CA 0.817 62.768 62.100 -0.249 0.000 1.135 391 T CB 0.314 69.023 68.868 -0.265 0.000 0.890 391 T HN 0.322 nan 8.240 nan 0.000 0.480 392 G N 1.287 109.899 108.800 -0.312 0.000 2.159 392 G HA2 -0.198 3.723 3.960 -0.065 0.000 0.227 392 G HA3 -0.198 3.723 3.960 -0.065 0.000 0.227 392 G C 0.067 174.800 174.900 -0.279 0.000 0.986 392 G CA 0.025 44.973 45.100 -0.252 0.000 0.651 392 G HN 0.674 nan 8.290 nan 0.000 0.523 393 H N 0.454 119.442 119.070 -0.138 0.000 2.966 393 H HA 0.400 4.917 4.556 -0.066 0.000 0.217 393 H C 1.024 176.170 175.328 -0.304 0.000 1.906 393 H CA -0.205 55.750 56.048 -0.156 0.000 1.351 393 H CB -0.208 29.469 29.762 -0.142 0.000 1.722 393 H HN 0.234 nan 8.280 nan 0.000 0.562 394 L N 1.125 122.204 121.223 -0.239 0.000 2.473 394 L HA 0.095 4.396 4.340 -0.065 0.000 0.268 394 L C 0.964 177.428 176.870 -0.677 0.000 1.215 394 L CA 0.334 54.922 54.840 -0.419 0.000 0.823 394 L CB 0.617 42.527 42.059 -0.248 0.000 1.099 394 L HN 0.331 nan 8.230 nan 0.000 0.483 395 I N 1.628 121.703 120.570 -0.825 0.000 2.621 395 I HA 0.155 4.286 4.170 -0.065 0.000 0.276 395 I C -0.859 174.612 176.117 -1.077 0.000 1.118 395 I CA -0.706 59.753 61.300 -1.402 0.000 1.159 395 I CB 0.515 38.022 38.000 -0.822 0.000 1.357 395 I HN 0.531 nan 8.210 nan 0.000 0.513 396 D N 5.229 125.024 120.400 -1.008 0.000 2.363 396 D HA 0.084 4.685 4.640 -0.065 0.000 0.263 396 D C 0.573 176.791 176.300 -0.136 0.000 1.258 396 D CA 0.279 54.080 54.000 -0.331 0.000 0.907 396 D CB 0.773 41.628 40.800 0.092 0.000 1.107 396 D HN 0.316 nan 8.370 nan 0.000 0.495 397 E N 1.424 121.512 120.200 -0.187 0.000 2.869 397 E HA 0.017 4.328 4.350 -0.065 0.000 0.207 397 E C 0.725 177.343 176.600 0.030 0.000 0.986 397 E CA -0.336 56.096 56.400 0.054 0.000 1.131 397 E CB 0.230 30.062 29.700 0.219 0.000 1.098 397 E HN 0.530 nan 8.360 nan 0.000 0.459 398 H N 0.097 119.293 119.070 0.209 0.000 2.352 398 H HA -0.108 4.409 4.556 -0.066 0.000 0.299 398 H C 2.025 177.484 175.328 0.217 0.000 1.097 398 H CA 1.706 57.924 56.048 0.282 0.000 1.311 398 H CB -0.098 29.805 29.762 0.235 0.000 1.377 398 H HN 0.302 nan 8.280 nan 0.000 0.504 399 G N 0.440 109.381 108.800 0.234 0.000 2.414 399 G HA2 -0.145 3.776 3.960 -0.065 0.000 0.215 399 G HA3 -0.145 3.776 3.960 -0.065 0.000 0.215 399 G C 1.977 176.912 174.900 0.057 0.000 1.188 399 G CA 1.142 46.324 45.100 0.136 0.000 0.783 399 G HN 0.503 nan 8.290 nan 0.000 0.537 400 A N 0.978 123.786 122.820 -0.020 0.000 2.070 400 A HA 0.350 4.631 4.320 -0.065 0.000 0.220 400 A C 2.685 180.059 177.584 -0.351 0.000 1.159 400 A CA 1.859 53.738 52.037 -0.264 0.000 0.656 400 A CB -0.535 18.187 19.000 -0.464 0.000 0.800 400 A HN 0.766 nan 8.150 nan 0.000 0.453 401 A N -1.004 121.762 122.820 -0.091 0.000 2.024 401 A HA 0.238 4.519 4.320 -0.065 0.000 0.220 401 A C 1.925 179.509 177.584 -0.001 0.000 1.164 401 A CA 1.649 53.683 52.037 -0.005 0.000 0.643 401 A CB -0.895 18.128 19.000 0.038 0.000 0.806 401 A HN 2.055 nan 8.150 nan 0.000 0.451 402 A N -2.831 120.017 122.820 0.046 0.000 2.829 402 A HA -0.113 4.168 4.320 -0.065 0.000 0.267 402 A C 0.323 178.061 177.584 0.257 0.000 1.370 402 A CA 1.118 53.225 52.037 0.116 0.000 0.900 402 A CB -2.287 16.738 19.000 0.042 0.000 1.044 402 A HN 1.104 nan 8.150 nan 0.000 0.691 403 V N -0.395 119.671 119.914 0.255 0.000 2.482 403 V HA 0.667 4.748 4.120 -0.065 0.000 0.295 403 V C 0.652 176.973 176.094 0.380 0.000 1.026 403 V CA -0.582 61.958 62.300 0.399 0.000 0.856 403 V CB 1.465 33.420 31.823 0.220 0.000 1.001 403 V HN 1.485 nan 8.190 nan 0.000 0.424 404 A N 5.675 128.682 122.820 0.311 0.000 2.546 404 A HA 0.550 4.831 4.320 -0.065 0.000 0.243 404 A C 0.205 177.919 177.584 0.217 0.000 1.063 404 A CA 0.452 52.538 52.037 0.081 0.000 0.757 404 A CB -0.186 18.729 19.000 -0.141 0.000 0.991 404 A HN 1.199 nan 8.150 nan 0.000 0.503 405 H N 0.000 119.048 119.070 -0.037 0.000 2.539 405 H HA 0.000 4.517 4.556 -0.065 0.000 0.296 405 H CA 0.000 56.005 56.048 -0.071 0.000 1.023 405 H CB 0.000 29.742 29.762 -0.033 0.000 1.292 405 H HN 0.000 nan 8.280 nan 0.000 0.496