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 2j5g_1_C DATA FIRST_RESID 5 DATA SEQUENCE QPEYFTKYEN LHFHRDENGI LEVRMHTNGS SLVFTGKTHR EFPDAFYDIS DATA SEQUENCE RDRDNRVVIL TGSGDAWMAE IDFPSLGDVT NPREWDKTYW EGKKVLQNLL DATA SEQUENCE DIEVPVISAV NGAALLHSEY ILTTDIILAS ENTVFQDMPH LNAGIVPGDG DATA SEQUENCE VHILWPLALG LYRGRYFLFT QEKLTAQQAY ELNVVHEVLP QSKLMERAWE DATA SEQUENCE IARTLAKQPT LNLRYTRVAL TQRLKRLVNE GIGYGLALEG ITATDLRNT 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 5 Q HA 0.000 nan 4.340 nan 0.000 0.214 5 Q C 0.000 175.632 176.000 -0.614 0.000 1.003 5 Q CA 0.000 55.512 55.803 -0.486 0.000 1.022 5 Q CB 0.000 28.496 28.738 -0.403 0.000 1.108 6 P HA 0.043 nan 4.420 nan 0.000 0.269 6 P C 0.176 177.124 177.300 -0.587 0.000 1.215 6 P CA -0.178 62.488 63.100 -0.722 0.000 0.780 6 P CB 0.686 31.847 31.700 -0.898 0.000 0.898 7 E N 1.017 121.051 120.200 -0.276 0.000 2.118 7 E HA -0.243 4.107 4.350 0.000 0.000 0.195 7 E C 1.356 177.870 176.600 -0.144 0.000 0.992 7 E CA 1.144 57.448 56.400 -0.160 0.000 0.804 7 E CB -0.227 29.434 29.700 -0.066 0.000 0.741 7 E HN 0.676 nan 8.360 nan 0.000 0.458 8 Y N -1.744 118.480 120.300 -0.127 0.000 2.497 8 Y HA -0.071 4.479 4.550 0.001 0.000 0.292 8 Y C 1.598 177.373 175.900 -0.208 0.000 1.137 8 Y CA 0.229 58.269 58.100 -0.100 0.000 1.285 8 Y CB -0.574 37.896 38.460 0.016 0.000 0.991 8 Y HN -0.072 nan 8.280 nan 0.000 0.556 9 F N 1.918 121.298 119.950 -0.950 0.000 2.333 9 F HA -0.097 4.430 4.527 0.000 0.000 0.300 9 F C 1.784 177.398 175.800 -0.311 0.000 1.083 9 F CA 1.111 58.548 58.000 -0.939 0.000 1.395 9 F CB -0.949 37.698 39.000 -0.588 0.000 1.056 9 F HN 0.325 nan 8.300 nan 0.000 0.529 10 T N -4.234 110.310 114.554 -0.016 0.000 3.252 10 T HA 0.156 4.506 4.350 0.000 0.000 0.286 10 T C 1.305 176.001 174.700 -0.007 0.000 1.013 10 T CA -0.391 61.739 62.100 0.050 0.000 0.914 10 T CB 0.090 68.976 68.868 0.030 0.000 1.131 10 T HN 0.166 nan 8.240 nan 0.000 0.529 11 K N 0.676 121.019 120.400 -0.094 0.000 2.379 11 K HA 0.177 4.498 4.320 0.000 0.000 0.194 11 K C -0.879 175.385 176.600 -0.560 0.000 1.031 11 K CA 0.037 56.099 56.287 -0.375 0.000 1.037 11 K CB 0.321 32.483 32.500 -0.563 0.000 0.824 11 K HN 0.475 nan 8.250 nan 0.000 0.516 12 Y N 0.712 121.121 120.300 0.181 0.000 2.332 12 Y HA 0.209 4.759 4.550 0.000 0.000 0.326 12 Y C 0.173 176.182 175.900 0.181 0.000 0.978 12 Y CA -0.852 57.364 58.100 0.194 0.000 1.205 12 Y CB 1.881 40.510 38.460 0.281 0.000 1.131 12 Y HN 0.000 nan 8.280 nan 0.000 0.462 13 E N 1.366 121.690 120.200 0.207 0.000 2.338 13 E HA -0.152 4.199 4.350 0.000 0.000 0.197 13 E C 0.211 176.824 176.600 0.022 0.000 1.007 13 E CA 1.031 57.514 56.400 0.139 0.000 0.849 13 E CB 0.004 29.743 29.700 0.065 0.000 0.774 13 E HN 0.728 nan 8.360 nan 0.000 0.506 14 N N -0.162 118.555 118.700 0.028 0.000 2.204 14 N HA 0.189 4.929 4.740 0.000 0.000 0.219 14 N C -0.914 174.566 175.510 -0.049 0.000 1.151 14 N CA -0.006 52.923 53.050 -0.201 0.000 0.867 14 N CB 0.769 39.249 38.487 -0.013 0.000 1.043 14 N HN -0.081 nan 8.380 nan 0.000 0.516 15 L N 0.285 121.615 121.223 0.177 0.000 2.438 15 L HA 0.373 4.714 4.340 0.000 0.000 0.270 15 L C -0.999 176.032 176.870 0.269 0.000 0.972 15 L CA -0.924 53.979 54.840 0.105 0.000 0.831 15 L CB 1.760 43.732 42.059 -0.145 0.000 1.273 15 L HN 0.160 nan 8.230 nan 0.000 0.405 16 H N 2.553 121.675 119.070 0.087 0.000 2.473 16 H HA 0.588 5.145 4.556 0.001 0.000 0.327 16 H C -1.516 173.701 175.328 -0.185 0.000 1.105 16 H CA -0.098 55.981 56.048 0.052 0.000 1.280 16 H CB 0.988 30.734 29.762 -0.026 0.000 1.450 16 H HN 0.285 nan 8.280 nan 0.000 0.492 17 F N 4.055 123.605 119.950 -0.667 0.000 2.482 17 F HA 0.296 4.823 4.527 0.001 0.000 0.331 17 F C -0.084 175.344 175.800 -0.620 0.000 1.115 17 F CA -0.628 56.958 58.000 -0.689 0.000 0.955 17 F CB 1.461 39.724 39.000 -1.229 0.000 1.136 17 F HN 0.560 nan 8.300 nan 0.000 0.452 18 H N 3.819 122.772 119.070 -0.195 0.000 2.877 18 H HA 0.488 5.044 4.556 0.001 0.000 0.347 18 H C -1.593 173.841 175.328 0.177 0.000 1.042 18 H CA -0.748 55.327 56.048 0.046 0.000 1.276 18 H CB 1.882 31.769 29.762 0.208 0.000 1.681 18 H HN 0.803 nan 8.280 nan 0.000 0.521 19 R N 3.603 123.951 120.500 -0.253 0.000 2.628 19 R HA 0.194 4.534 4.340 0.000 0.000 0.288 19 R C -0.804 175.448 176.300 -0.080 0.000 0.980 19 R CA -0.661 55.448 56.100 0.016 0.000 0.891 19 R CB 1.399 31.841 30.300 0.237 0.000 1.188 19 R HN 0.760 nan 8.270 nan 0.000 0.450 20 D N 1.803 122.291 120.400 0.146 0.000 2.506 20 D HA -0.043 4.598 4.640 0.000 0.000 0.272 20 D C 0.589 176.954 176.300 0.108 0.000 1.214 20 D CA -0.385 53.700 54.000 0.142 0.000 1.067 20 D CB 0.622 41.611 40.800 0.315 0.000 1.117 20 D HN 0.712 nan 8.370 nan 0.000 0.578 21 E N -0.678 119.577 120.200 0.092 0.000 2.409 21 E HA -0.147 4.203 4.350 0.000 0.000 0.198 21 E C 0.458 177.099 176.600 0.068 0.000 1.024 21 E CA 0.528 56.967 56.400 0.065 0.000 0.861 21 E CB -0.365 29.366 29.700 0.051 0.000 0.788 21 E HN 0.291 nan 8.360 nan 0.000 0.521 22 N N 0.647 119.404 118.700 0.096 0.000 2.336 22 N HA 0.041 4.781 4.740 0.000 0.000 0.189 22 N C 0.902 176.451 175.510 0.065 0.000 1.113 22 N CA 0.866 53.963 53.050 0.078 0.000 0.858 22 N CB 1.112 39.658 38.487 0.098 0.000 0.970 22 N HN 0.434 nan 8.380 nan 0.000 0.471 23 G N 1.367 110.214 108.800 0.079 0.000 2.136 23 G HA2 -0.266 3.694 3.960 0.000 0.000 0.242 23 G HA3 -0.266 3.694 3.960 0.000 0.000 0.242 23 G C -0.026 174.908 174.900 0.056 0.000 0.989 23 G CA -0.303 44.839 45.100 0.070 0.000 0.682 23 G HN 0.318 nan 8.290 nan 0.000 0.522 24 I N 0.684 121.289 120.570 0.059 0.000 2.379 24 I HA 0.408 4.578 4.170 0.000 0.000 0.290 24 I C 0.355 176.452 176.117 -0.033 0.000 1.063 24 I CA -0.661 60.596 61.300 -0.072 0.000 1.351 24 I CB 1.081 38.956 38.000 -0.209 0.000 1.410 24 I HN 0.131 nan 8.210 nan 0.000 0.505 25 L N 7.857 129.044 121.223 -0.060 0.000 2.287 25 L HA 0.398 4.738 4.340 0.000 0.000 0.287 25 L C -0.153 176.689 176.870 -0.047 0.000 1.022 25 L CA -0.064 54.794 54.840 0.029 0.000 0.814 25 L CB 1.351 43.471 42.059 0.101 0.000 1.217 25 L HN 0.550 nan 8.230 nan 0.000 0.420 26 E N 4.299 124.547 120.200 0.080 0.000 2.146 26 E HA 0.435 4.785 4.350 0.000 0.000 0.282 26 E C -1.553 175.029 176.600 -0.030 0.000 0.989 26 E CA -0.647 55.800 56.400 0.079 0.000 0.799 26 E CB 1.239 31.169 29.700 0.384 0.000 1.088 26 E HN 0.548 nan 8.360 nan 0.000 0.397 27 V N 6.075 125.906 119.914 -0.138 0.000 2.347 27 V HA 0.357 4.477 4.120 0.000 0.000 0.280 27 V C 0.002 175.978 176.094 -0.198 0.000 1.021 27 V CA -0.598 61.487 62.300 -0.359 0.000 0.847 27 V CB 1.154 32.739 31.823 -0.397 0.000 0.990 27 V HN 0.610 nan 8.190 nan 0.000 0.444 28 R N 5.518 125.924 120.500 -0.155 0.000 2.393 28 R HA 0.630 4.971 4.340 0.000 0.000 0.315 28 R C -0.504 175.798 176.300 0.003 0.000 0.952 28 R CA -0.608 55.477 56.100 -0.025 0.000 0.842 28 R CB 1.088 31.423 30.300 0.059 0.000 1.163 28 R HN 0.691 nan 8.270 nan 0.000 0.450 29 M N 4.578 124.150 119.600 -0.047 0.000 2.217 29 M HA 0.234 4.714 4.480 0.000 0.000 0.354 29 M C -0.444 175.916 176.300 0.100 0.000 1.225 29 M CA 0.067 55.354 55.300 -0.022 0.000 1.137 29 M CB 0.994 33.529 32.600 -0.109 0.000 1.576 29 M HN 0.790 nan 8.290 nan 0.000 0.461 30 H N -0.926 118.165 119.070 0.034 0.000 3.014 30 H HA 0.558 5.114 4.556 0.000 0.000 0.337 30 H C -1.642 173.714 175.328 0.047 0.000 1.320 30 H CA -1.064 55.001 56.048 0.027 0.000 1.128 30 H CB 1.195 30.970 29.762 0.022 0.000 1.862 30 H HN 0.449 nan 8.280 nan 0.000 0.536 31 T N 3.090 117.649 114.554 0.009 0.000 2.864 31 T HA 0.252 4.603 4.350 0.000 0.000 0.310 31 T C -0.277 174.501 174.700 0.130 0.000 1.040 31 T CA -0.820 61.264 62.100 -0.026 0.000 0.977 31 T CB -0.065 68.790 68.868 -0.022 0.000 0.976 31 T HN 0.765 nan 8.240 nan 0.000 0.459 32 N N 2.451 121.279 118.700 0.213 0.000 2.727 32 N HA -0.247 4.494 4.740 0.000 0.000 0.249 32 N C 1.193 176.819 175.510 0.194 0.000 1.048 32 N CA 1.424 54.600 53.050 0.210 0.000 0.714 32 N CB -1.252 37.293 38.487 0.096 0.000 0.959 32 N HN 1.255 nan 8.380 nan 0.000 0.544 33 G N -2.377 106.617 108.800 0.323 0.000 2.205 33 G HA2 -0.342 3.618 3.960 0.000 0.000 0.261 33 G HA3 -0.342 3.618 3.960 0.000 0.000 0.261 33 G C 0.323 175.260 174.900 0.062 0.000 0.980 33 G CA 0.747 45.868 45.100 0.035 0.000 0.632 33 G HN 0.564 nan 8.290 nan 0.000 0.533 34 S N -0.029 115.735 115.700 0.106 0.000 2.738 34 S HA 0.684 5.154 4.470 0.000 0.000 0.284 34 S C 0.807 175.454 174.600 0.078 0.000 1.146 34 S CA 0.067 58.308 58.200 0.067 0.000 0.997 34 S CB 1.242 64.471 63.200 0.049 0.000 1.081 34 S HN 0.635 nan 8.310 nan 0.000 0.553 35 S N 1.340 117.070 115.700 0.049 0.000 2.558 35 S HA 0.032 4.503 4.470 0.000 0.000 0.291 35 S C 0.027 174.646 174.600 0.031 0.000 1.306 35 S CA -0.372 57.851 58.200 0.038 0.000 1.056 35 S CB -0.172 63.048 63.200 0.033 0.000 0.836 35 S HN 0.474 nan 8.310 nan 0.000 0.504 36 L N 4.753 125.983 121.223 0.012 0.000 2.499 36 L HA 0.156 4.496 4.340 0.000 0.000 0.273 36 L C -0.588 176.293 176.870 0.019 0.000 1.195 36 L CA 0.463 55.308 54.840 0.009 0.000 0.882 36 L CB 0.235 42.301 42.059 0.012 0.000 1.133 36 L HN 0.426 nan 8.230 nan 0.000 0.483 37 V N 7.063 126.978 119.914 0.001 0.000 2.348 37 V HA 0.188 4.308 4.120 0.000 0.000 0.270 37 V C 0.062 176.151 176.094 -0.008 0.000 1.037 37 V CA -0.493 61.806 62.300 -0.001 0.000 0.872 37 V CB 0.539 32.347 31.823 -0.025 0.000 1.002 37 V HN 0.597 nan 8.190 nan 0.000 0.464 38 F N 5.463 125.348 119.950 -0.109 0.000 2.484 38 F HA 0.526 5.053 4.527 0.000 0.000 0.360 38 F C 0.839 176.556 175.800 -0.138 0.000 1.101 38 F CA 0.383 58.310 58.000 -0.122 0.000 1.251 38 F CB 1.019 39.994 39.000 -0.040 0.000 1.132 38 F HN 0.664 nan 8.300 nan 0.000 0.570 39 T N 1.071 115.203 114.554 -0.703 0.000 2.838 39 T HA 0.468 4.819 4.350 0.000 0.000 0.292 39 T C 0.880 175.309 174.700 -0.453 0.000 1.113 39 T CA -0.391 61.467 62.100 -0.404 0.000 1.008 39 T CB 1.077 69.760 68.868 -0.309 0.000 1.259 39 T HN 0.596 nan 8.240 nan 0.000 0.520 40 G N 0.020 108.696 108.800 -0.207 0.000 2.442 40 G HA2 -0.205 3.755 3.960 0.000 0.000 0.219 40 G HA3 -0.205 3.755 3.960 0.000 0.000 0.219 40 G C 1.279 176.068 174.900 -0.186 0.000 1.141 40 G CA 1.192 46.210 45.100 -0.138 0.000 0.763 40 G HN 0.895 nan 8.290 nan 0.000 0.554 41 K N 0.483 120.743 120.400 -0.233 0.000 2.026 41 K HA -0.143 4.177 4.320 0.000 0.000 0.208 41 K C 2.774 179.155 176.600 -0.364 0.000 1.048 41 K CA 2.022 58.177 56.287 -0.220 0.000 0.929 41 K CB -0.456 31.938 32.500 -0.177 0.000 0.713 41 K HN 0.424 nan 8.250 nan 0.000 0.439 42 T N -1.499 112.642 114.554 -0.688 0.000 2.821 42 T HA -0.186 4.164 4.350 0.000 0.000 0.267 42 T C 1.983 176.081 174.700 -1.003 0.000 1.046 42 T CA 1.171 62.525 62.100 -1.242 0.000 1.139 42 T CB -0.566 67.150 68.868 -1.920 0.000 0.871 42 T HN 0.330 nan 8.240 nan 0.000 0.454 43 H N 1.560 120.148 119.070 -0.803 0.000 2.387 43 H HA 0.044 4.601 4.556 0.000 0.000 0.299 43 H C 2.587 177.863 175.328 -0.086 0.000 1.090 43 H CA 1.675 57.592 56.048 -0.220 0.000 1.332 43 H CB -0.046 29.706 29.762 -0.016 0.000 1.386 43 H HN 0.448 nan 8.280 nan 0.000 0.516 44 R N 0.553 121.046 120.500 -0.012 0.000 2.093 44 R HA -0.050 4.290 4.340 0.000 0.000 0.224 44 R C 1.914 178.237 176.300 0.037 0.000 1.101 44 R CA 1.237 57.369 56.100 0.054 0.000 0.979 44 R CB 0.167 30.495 30.300 0.046 0.000 0.877 44 R HN 0.365 nan 8.270 nan 0.000 0.441 45 E N -0.484 119.705 120.200 -0.019 0.000 2.190 45 E HA -0.050 4.300 4.350 0.000 0.000 0.191 45 E C 1.675 178.316 176.600 0.068 0.000 0.978 45 E CA 0.284 56.754 56.400 0.117 0.000 0.839 45 E CB 0.058 29.889 29.700 0.218 0.000 0.787 45 E HN 0.221 nan 8.360 nan 0.000 0.473 46 F N 1.356 121.122 119.950 -0.306 0.000 2.126 46 F HA -0.105 4.422 4.527 0.000 0.000 0.299 46 F C -0.674 174.715 175.800 -0.685 0.000 1.096 46 F CA 0.498 58.105 58.000 -0.657 0.000 1.255 46 F CB -1.992 36.704 39.000 -0.506 0.000 0.997 46 F HN 0.081 nan 8.300 nan 0.000 0.479 47 P HA -0.136 nan 4.420 nan 0.000 0.216 47 P C 1.189 178.497 177.300 0.013 0.000 1.150 47 P CA 1.659 64.755 63.100 -0.008 0.000 0.837 47 P CB -0.015 31.689 31.700 0.008 0.000 0.786 48 D N -0.607 119.803 120.400 0.017 0.000 2.149 48 D HA -0.042 4.599 4.640 0.000 0.000 0.201 48 D C 2.078 178.391 176.300 0.021 0.000 0.972 48 D CA 1.308 55.369 54.000 0.102 0.000 0.835 48 D CB -0.630 40.305 40.800 0.225 0.000 0.966 48 D HN 0.052 nan 8.370 nan 0.000 0.476 49 A N 0.610 123.199 122.820 -0.385 0.000 1.877 49 A HA -0.168 4.152 4.320 0.000 0.000 0.216 49 A C 1.923 179.349 177.584 -0.263 0.000 1.186 49 A CA 1.048 52.674 52.037 -0.685 0.000 0.620 49 A CB -0.889 17.318 19.000 -1.322 0.000 0.822 49 A HN 0.110 nan 8.150 nan 0.000 0.443 50 F N -1.825 118.028 119.950 -0.161 0.000 2.186 50 F HA -0.067 4.460 4.527 0.000 0.000 0.299 50 F C 2.142 177.887 175.800 -0.093 0.000 1.090 50 F CA 0.516 58.429 58.000 -0.144 0.000 1.307 50 F CB -1.300 37.586 39.000 -0.190 0.000 1.019 50 F HN 0.406 nan 8.300 nan 0.000 0.489 51 Y N 1.147 121.467 120.300 0.033 0.000 2.145 51 Y HA -0.259 4.291 4.550 0.000 0.000 0.286 51 Y C 2.247 178.095 175.900 -0.086 0.000 1.145 51 Y CA 1.776 59.867 58.100 -0.015 0.000 1.148 51 Y CB -0.293 38.163 38.460 -0.007 0.000 0.981 51 Y HN -0.072 nan 8.280 nan 0.000 0.507 52 D N 0.189 120.629 120.400 0.067 0.000 2.117 52 D HA -0.203 4.438 4.640 0.000 0.000 0.197 52 D C 2.222 178.213 176.300 -0.515 0.000 0.987 52 D CA 1.728 55.565 54.000 -0.272 0.000 0.829 52 D CB -0.375 40.174 40.800 -0.418 0.000 0.961 52 D HN 0.432 nan 8.370 nan 0.000 0.460 53 I N 1.067 121.485 120.570 -0.253 0.000 2.208 53 I HA -0.288 3.882 4.170 0.000 0.000 0.245 53 I C 2.469 178.555 176.117 -0.052 0.000 1.097 53 I CA 1.394 62.674 61.300 -0.034 0.000 1.363 53 I CB -0.262 37.839 38.000 0.168 0.000 1.051 53 I HN 0.014 nan 8.210 nan 0.000 0.413 54 S N 0.646 116.277 115.700 -0.114 0.000 2.423 54 S HA -0.198 4.273 4.470 0.000 0.000 0.231 54 S C 2.152 176.651 174.600 -0.168 0.000 1.014 54 S CA 0.744 58.848 58.200 -0.161 0.000 0.965 54 S CB -0.415 62.624 63.200 -0.268 0.000 0.785 54 S HN 0.410 nan 8.310 nan 0.000 0.495 55 R N 1.294 121.689 120.500 -0.176 0.000 2.148 55 R HA 0.017 4.357 4.340 0.000 0.000 0.223 55 R C -0.161 176.120 176.300 -0.032 0.000 1.088 55 R CA 1.083 57.126 56.100 -0.095 0.000 0.985 55 R CB -0.346 29.947 30.300 -0.012 0.000 0.880 55 R HN 0.372 nan 8.270 nan 0.000 0.451 56 D N 0.792 121.182 120.400 -0.016 0.000 2.352 56 D HA 0.032 4.672 4.640 0.000 0.000 0.245 56 D C 0.431 176.768 176.300 0.061 0.000 1.224 56 D CA 0.009 54.051 54.000 0.070 0.000 0.879 56 D CB 0.727 41.654 40.800 0.211 0.000 1.057 56 D HN 0.088 nan 8.370 nan 0.000 0.491 57 R N 2.341 122.862 120.500 0.036 0.000 2.285 57 R HA -0.066 4.274 4.340 0.000 0.000 0.213 57 R C 0.531 176.848 176.300 0.027 0.000 1.068 57 R CA 0.597 56.707 56.100 0.017 0.000 1.004 57 R CB 0.293 30.595 30.300 0.003 0.000 0.873 57 R HN 0.427 nan 8.270 nan 0.000 0.467 58 D N 0.555 120.986 120.400 0.052 0.000 2.347 58 D HA -0.035 4.605 4.640 0.000 0.000 0.215 58 D C -0.070 176.279 176.300 0.081 0.000 0.976 58 D CA 0.638 54.671 54.000 0.055 0.000 0.884 58 D CB -0.051 40.778 40.800 0.050 0.000 0.915 58 D HN 0.084 nan 8.370 nan 0.000 0.526 59 N N 1.043 119.805 118.700 0.104 0.000 2.411 59 N HA 0.116 4.857 4.740 0.000 0.000 0.259 59 N C 1.080 176.612 175.510 0.037 0.000 1.103 59 N CA 0.111 53.221 53.050 0.100 0.000 0.954 59 N CB 1.214 39.781 38.487 0.133 0.000 1.085 59 N HN 0.153 nan 8.380 nan 0.000 0.485 60 R N 0.659 121.170 120.500 0.019 0.000 2.287 60 R HA 0.275 4.615 4.340 0.000 0.000 0.197 60 R C -0.195 176.086 176.300 -0.033 0.000 0.900 60 R CA 0.290 56.383 56.100 -0.011 0.000 1.052 60 R CB 0.808 31.104 30.300 -0.007 0.000 1.117 60 R HN 0.215 nan 8.270 nan 0.000 0.568 61 V N 1.140 121.027 119.914 -0.045 0.000 2.932 61 V HA 0.330 4.450 4.120 0.000 0.000 0.307 61 V C -0.818 175.215 176.094 -0.102 0.000 1.147 61 V CA -0.923 61.328 62.300 -0.082 0.000 0.951 61 V CB 2.758 34.512 31.823 -0.115 0.000 1.031 61 V HN -0.234 nan 8.190 nan 0.000 0.426 62 V N 5.038 124.890 119.914 -0.103 0.000 2.495 62 V HA 0.564 4.685 4.120 0.000 0.000 0.298 62 V C -0.405 175.604 176.094 -0.142 0.000 1.031 62 V CA -0.456 61.781 62.300 -0.104 0.000 0.871 62 V CB 1.884 33.672 31.823 -0.059 0.000 0.988 62 V HN 0.696 nan 8.190 nan 0.000 0.432 63 I N 5.456 125.920 120.570 -0.177 0.000 2.339 63 I HA 0.418 4.588 4.170 0.000 0.000 0.290 63 I C -0.718 175.361 176.117 -0.063 0.000 0.994 63 I CA -0.550 60.660 61.300 -0.149 0.000 1.191 63 I CB 1.640 39.482 38.000 -0.262 0.000 1.343 63 I HN 0.396 nan 8.210 nan 0.000 0.458 64 L N 6.914 128.136 121.223 -0.002 0.000 2.296 64 L HA 0.702 5.042 4.340 0.000 0.000 0.286 64 L C -0.255 176.723 176.870 0.179 0.000 1.023 64 L CA 0.525 55.401 54.840 0.060 0.000 0.812 64 L CB 1.652 43.755 42.059 0.074 0.000 1.223 64 L HN 0.659 nan 8.230 nan 0.000 0.421 65 T N 2.331 116.979 114.554 0.157 0.000 2.787 65 T HA 0.815 5.165 4.350 0.000 0.000 0.297 65 T C -0.333 174.406 174.700 0.065 0.000 1.221 65 T CA -0.017 62.220 62.100 0.228 0.000 1.006 65 T CB 1.263 70.234 68.868 0.171 0.000 1.328 65 T HN 0.827 nan 8.240 nan 0.000 0.509 66 G N 0.518 109.356 108.800 0.063 0.000 2.795 66 G HA2 0.656 4.617 3.960 0.000 0.000 0.267 66 G HA3 0.656 4.617 3.960 0.000 0.000 0.267 66 G C -0.969 173.949 174.900 0.029 0.000 1.362 66 G CA -0.495 44.559 45.100 -0.077 0.000 1.048 66 G HN 0.765 nan 8.290 nan 0.000 0.547 67 S N -1.628 114.087 115.700 0.026 0.000 2.600 67 S HA 0.777 5.247 4.470 0.000 0.000 0.300 67 S C 0.610 175.234 174.600 0.040 0.000 1.087 67 S CA 0.362 58.585 58.200 0.039 0.000 0.965 67 S CB 1.303 64.538 63.200 0.057 0.000 1.089 67 S HN 2.038 nan 8.310 nan 0.000 0.496 68 G N 2.445 111.263 108.800 0.030 0.000 2.539 68 G HA2 -0.250 3.711 3.960 0.000 0.000 0.256 68 G HA3 -0.250 3.711 3.960 0.000 0.000 0.256 68 G C -0.139 174.784 174.900 0.039 0.000 1.233 68 G CA 0.512 45.630 45.100 0.029 0.000 0.936 68 G HN 0.867 nan 8.290 nan 0.000 0.571 69 D N 0.677 121.099 120.400 0.037 0.000 2.368 69 D HA 0.576 5.217 4.640 0.000 0.000 0.218 69 D C 0.676 177.006 176.300 0.050 0.000 1.112 69 D CA 1.172 55.195 54.000 0.039 0.000 0.834 69 D CB 0.113 40.929 40.800 0.027 0.000 0.953 69 D HN 1.452 nan 8.370 nan 0.000 0.505 70 A N -0.340 122.520 122.820 0.066 0.000 2.414 70 A HA 0.476 4.796 4.320 0.000 0.000 0.306 70 A C -0.334 177.337 177.584 0.146 0.000 1.054 70 A CA -0.997 51.097 52.037 0.094 0.000 0.724 70 A CB 0.907 19.949 19.000 0.070 0.000 1.267 70 A HN 0.168 nan 8.150 nan 0.000 0.418 71 W N 2.810 124.108 121.300 -0.002 0.000 2.444 71 W HA 0.347 5.007 4.660 0.000 0.000 0.308 71 W C 0.454 177.012 176.519 0.065 0.000 1.183 71 W CA 1.287 58.650 57.345 0.029 0.000 1.340 71 W CB 0.173 29.635 29.460 0.002 0.000 1.138 71 W HN 0.467 nan 8.180 nan 0.000 0.510 72 M N -0.259 119.525 119.600 0.307 0.000 2.265 72 M HA 0.342 4.823 4.480 0.000 0.000 0.251 72 M C -0.646 175.745 176.300 0.152 0.000 1.005 72 M CA 0.073 55.438 55.300 0.109 0.000 0.998 72 M CB 1.638 34.235 32.600 -0.004 0.000 2.070 72 M HN 0.021 nan 8.290 nan 0.000 0.476 73 A N 3.491 126.356 122.820 0.076 0.000 2.600 73 A HA 0.431 4.751 4.320 0.000 0.000 0.252 73 A C -0.146 177.448 177.584 0.018 0.000 1.200 73 A CA -0.029 52.039 52.037 0.052 0.000 0.981 73 A CB 0.593 19.623 19.000 0.050 0.000 1.207 73 A HN 0.705 nan 8.150 nan 0.000 0.577 74 E N -0.606 119.599 120.200 0.009 0.000 2.288 74 E HA 0.690 5.040 4.350 0.000 0.000 0.268 74 E C -1.561 175.003 176.600 -0.060 0.000 0.885 74 E CA -0.580 55.807 56.400 -0.021 0.000 0.767 74 E CB 2.708 32.406 29.700 -0.002 0.000 1.220 74 E HN 0.346 nan 8.360 nan 0.000 0.427 75 I N 1.004 121.466 120.570 -0.181 0.000 2.722 75 I HA 0.234 4.404 4.170 0.000 0.000 0.295 75 I C -1.553 174.375 176.117 -0.314 0.000 1.161 75 I CA -0.616 60.508 61.300 -0.295 0.000 1.032 75 I CB 1.955 39.588 38.000 -0.612 0.000 1.244 75 I HN 0.405 nan 8.210 nan 0.000 0.421 76 D N 6.528 126.822 120.400 -0.177 0.000 2.524 76 D HA 0.185 4.826 4.640 0.000 0.000 0.222 76 D C 0.765 177.042 176.300 -0.038 0.000 1.142 76 D CA -0.066 53.888 54.000 -0.077 0.000 0.973 76 D CB 0.149 40.922 40.800 -0.044 0.000 1.025 76 D HN 0.464 nan 8.370 nan 0.000 0.519 77 F N 2.250 122.236 119.950 0.059 0.000 2.091 77 F HA -0.136 4.391 4.527 0.000 0.000 0.299 77 F C -0.361 175.471 175.800 0.054 0.000 1.103 77 F CA 1.088 59.126 58.000 0.063 0.000 1.228 77 F CB -1.283 37.744 39.000 0.045 0.000 0.984 77 F HN 0.384 nan 8.300 nan 0.000 0.477 78 P HA -0.143 nan 4.420 nan 0.000 0.220 78 P C 1.618 178.972 177.300 0.091 0.000 1.148 78 P CA 1.878 65.061 63.100 0.138 0.000 0.803 78 P CB -0.308 31.451 31.700 0.099 0.000 0.782 79 S N -0.858 114.880 115.700 0.064 0.000 2.507 79 S HA -0.067 4.403 4.470 0.000 0.000 0.235 79 S C 1.739 176.348 174.600 0.015 0.000 0.988 79 S CA 0.691 58.902 58.200 0.018 0.000 0.944 79 S CB -1.496 61.689 63.200 -0.024 0.000 0.762 79 S HN 0.106 nan 8.310 nan 0.000 0.526 80 L N 1.104 122.362 121.223 0.057 0.000 2.376 80 L HA 0.258 4.599 4.340 0.000 0.000 0.219 80 L C 1.559 178.460 176.870 0.051 0.000 1.133 80 L CA 0.410 55.281 54.840 0.052 0.000 0.816 80 L CB -1.274 40.858 42.059 0.122 0.000 0.933 80 L HN 0.690 nan 8.230 nan 0.000 0.449 81 G N 0.177 109.019 108.800 0.070 0.000 2.655 81 G HA2 -0.226 3.735 3.960 0.000 0.000 0.680 81 G HA3 -0.226 3.735 3.960 0.000 0.000 0.680 81 G C -0.968 173.996 174.900 0.107 0.000 1.302 81 G CA -0.514 44.629 45.100 0.071 0.000 0.872 81 G HN 0.110 nan 8.290 nan 0.000 0.540 82 D N 0.518 120.978 120.400 0.099 0.000 2.402 82 D HA 0.336 4.976 4.640 0.000 0.000 0.235 82 D C 2.012 178.409 176.300 0.162 0.000 1.226 82 D CA 0.437 54.503 54.000 0.109 0.000 0.918 82 D CB 0.686 41.532 40.800 0.077 0.000 1.043 82 D HN 1.197 nan 8.370 nan 0.000 0.506 83 V N 1.997 122.037 119.914 0.210 0.000 2.867 83 V HA -0.153 3.967 4.120 0.000 0.000 0.260 83 V C 1.859 178.069 176.094 0.194 0.000 1.099 83 V CA 1.931 64.442 62.300 0.351 0.000 1.122 83 V CB -1.432 30.637 31.823 0.410 0.000 0.708 83 V HN 0.620 nan 8.190 nan 0.000 0.490 84 T N -2.186 112.423 114.554 0.092 0.000 3.113 84 T HA 0.048 4.398 4.350 0.000 0.000 0.256 84 T C 0.826 175.549 174.700 0.040 0.000 1.131 84 T CA 0.510 62.623 62.100 0.021 0.000 1.074 84 T CB -0.661 68.209 68.868 0.003 0.000 0.944 84 T HN 0.525 nan 8.240 nan 0.000 0.516 85 N N 2.506 121.261 118.700 0.091 0.000 2.437 85 N HA 0.279 5.019 4.740 0.000 0.000 0.259 85 N C -1.800 173.793 175.510 0.138 0.000 0.983 85 N CA -2.635 50.468 53.050 0.088 0.000 0.937 85 N CB 2.132 40.668 38.487 0.082 0.000 1.122 85 N HN -0.021 nan 8.380 nan 0.000 0.499 86 P HA -0.110 nan 4.420 nan 0.000 0.220 86 P C 0.701 178.099 177.300 0.164 0.000 1.148 86 P CA 1.093 64.284 63.100 0.152 0.000 0.803 86 P CB 0.506 32.252 31.700 0.076 0.000 0.782 87 R N -0.010 120.557 120.500 0.111 0.000 2.189 87 R HA -0.018 4.322 4.340 0.000 0.000 0.218 87 R C 2.226 178.584 176.300 0.097 0.000 1.074 87 R CA 0.924 57.077 56.100 0.087 0.000 0.991 87 R CB -0.203 30.131 30.300 0.055 0.000 0.883 87 R HN 0.376 nan 8.270 nan 0.000 0.457 88 E N -0.166 120.109 120.200 0.125 0.000 2.102 88 E HA -0.144 4.206 4.350 0.000 0.000 0.190 88 E C 1.600 178.293 176.600 0.155 0.000 0.971 88 E CA 0.303 56.775 56.400 0.119 0.000 0.821 88 E CB -0.123 29.647 29.700 0.117 0.000 0.777 88 E HN 0.410 nan 8.360 nan 0.000 0.460 89 W N 2.770 124.110 121.300 0.066 0.000 2.350 89 W HA -0.237 4.423 4.660 0.000 0.000 0.289 89 W C 1.350 177.962 176.519 0.155 0.000 1.215 89 W CA 1.929 59.331 57.345 0.095 0.000 1.236 89 W CB -0.067 29.438 29.460 0.074 0.000 1.130 89 W HN 0.101 nan 8.180 nan 0.000 0.541 90 D N 0.450 120.942 120.400 0.154 0.000 2.182 90 D HA -0.217 4.423 4.640 0.000 0.000 0.201 90 D C 2.024 178.412 176.300 0.148 0.000 0.986 90 D CA 1.974 56.062 54.000 0.147 0.000 0.847 90 D CB -0.073 40.810 40.800 0.138 0.000 0.942 90 D HN 0.131 nan 8.370 nan 0.000 0.467 91 K N -0.773 119.660 120.400 0.055 0.000 2.026 91 K HA -0.083 4.238 4.320 0.000 0.000 0.208 91 K C 2.200 178.841 176.600 0.068 0.000 1.048 91 K CA 1.594 57.925 56.287 0.074 0.000 0.929 91 K CB -0.260 32.254 32.500 0.024 0.000 0.713 91 K HN 0.111 nan 8.250 nan 0.000 0.439 92 T N 0.720 115.153 114.554 -0.202 0.000 2.684 92 T HA -0.222 4.128 4.350 0.000 0.000 0.267 92 T C 1.604 176.169 174.700 -0.225 0.000 1.036 92 T CA 1.551 63.402 62.100 -0.416 0.000 1.148 92 T CB -0.473 67.748 68.868 -1.078 0.000 0.863 92 T HN 0.308 nan 8.240 nan 0.000 0.436 93 Y N 0.197 120.200 120.300 -0.494 0.000 2.097 93 Y HA -0.236 4.314 4.550 0.000 0.000 0.282 93 Y C 2.342 178.303 175.900 0.101 0.000 1.152 93 Y CA 1.452 59.477 58.100 -0.125 0.000 1.136 93 Y CB -0.621 37.836 38.460 -0.006 0.000 0.975 93 Y HN 0.326 nan 8.280 nan 0.000 0.498 94 W N 1.622 122.903 121.300 -0.031 0.000 2.358 94 W HA -0.161 4.499 4.660 0.000 0.000 0.303 94 W C 2.132 178.606 176.519 -0.074 0.000 1.208 94 W CA 2.405 59.693 57.345 -0.095 0.000 1.274 94 W CB -0.216 29.278 29.460 0.056 0.000 1.138 94 W HN 0.199 nan 8.180 nan 0.000 0.515 95 E N -0.762 119.613 120.200 0.291 0.000 2.150 95 E HA -0.120 4.230 4.350 0.000 0.000 0.193 95 E C 2.405 178.972 176.600 -0.055 0.000 0.985 95 E CA 1.154 57.642 56.400 0.145 0.000 0.814 95 E CB -0.716 29.177 29.700 0.322 0.000 0.752 95 E HN 0.425 nan 8.360 nan 0.000 0.466 96 G N 1.410 110.246 108.800 0.059 0.000 2.422 96 G HA2 -0.234 3.726 3.960 0.000 0.000 0.218 96 G HA3 -0.234 3.726 3.960 0.000 0.000 0.218 96 G C 1.416 176.280 174.900 -0.060 0.000 1.140 96 G CA 0.407 45.543 45.100 0.060 0.000 0.775 96 G HN 0.092 nan 8.290 nan 0.000 0.545 97 K N 0.184 120.449 120.400 -0.225 0.000 2.025 97 K HA 0.003 4.324 4.320 0.000 0.000 0.207 97 K C 2.508 178.941 176.600 -0.279 0.000 1.049 97 K CA 0.809 56.934 56.287 -0.271 0.000 0.933 97 K CB -0.067 32.178 32.500 -0.424 0.000 0.714 97 K HN -0.001 nan 8.250 nan 0.000 0.438 98 K N 1.005 121.151 120.400 -0.423 0.000 2.097 98 K HA -0.070 4.250 4.320 0.000 0.000 0.205 98 K C 2.143 178.647 176.600 -0.161 0.000 1.050 98 K CA 0.640 56.699 56.287 -0.381 0.000 0.938 98 K CB -0.619 31.505 32.500 -0.627 0.000 0.718 98 K HN 0.007 nan 8.250 nan 0.000 0.442 99 V N 1.528 121.379 119.914 -0.105 0.000 2.343 99 V HA -0.205 3.915 4.120 0.000 0.000 0.247 99 V C 2.131 178.216 176.094 -0.014 0.000 1.051 99 V CA 1.447 63.754 62.300 0.010 0.000 1.036 99 V CB -0.153 31.691 31.823 0.035 0.000 0.654 99 V HN 0.204 nan 8.190 nan 0.000 0.451 100 L N -0.699 120.506 121.223 -0.030 0.000 2.131 100 L HA -0.146 4.194 4.340 0.000 0.000 0.206 100 L C 2.583 179.403 176.870 -0.084 0.000 1.087 100 L CA 1.842 56.652 54.840 -0.049 0.000 0.767 100 L CB -0.622 41.436 42.059 -0.002 0.000 0.917 100 L HN 0.410 nan 8.230 nan 0.000 0.441 101 Q N 0.457 120.207 119.800 -0.083 0.000 2.061 101 Q HA -0.218 4.122 4.340 0.000 0.000 0.204 101 Q C 1.908 177.862 176.000 -0.076 0.000 0.984 101 Q CA 1.849 57.603 55.803 -0.082 0.000 0.846 101 Q CB 0.146 28.828 28.738 -0.093 0.000 0.902 101 Q HN 0.460 nan 8.270 nan 0.000 0.421 102 N N 0.203 118.875 118.700 -0.046 0.000 2.216 102 N HA -0.117 4.623 4.740 0.000 0.000 0.183 102 N C 1.565 177.025 175.510 -0.084 0.000 1.017 102 N CA 0.595 53.636 53.050 -0.015 0.000 0.861 102 N CB -0.263 38.297 38.487 0.121 0.000 0.986 102 N HN 0.202 nan 8.380 nan 0.000 0.428 103 L N 0.906 122.029 121.223 -0.166 0.000 2.056 103 L HA 0.051 4.391 4.340 0.000 0.000 0.207 103 L C 1.824 178.529 176.870 -0.274 0.000 1.078 103 L CA 1.257 55.856 54.840 -0.402 0.000 0.749 103 L CB -0.552 41.099 42.059 -0.680 0.000 0.901 103 L HN 0.082 nan 8.230 nan 0.000 0.433 104 L N -0.833 120.276 121.223 -0.190 0.000 2.217 104 L HA -0.134 4.207 4.340 0.000 0.000 0.211 104 L C 1.481 178.273 176.870 -0.130 0.000 1.107 104 L CA 0.786 55.538 54.840 -0.147 0.000 0.783 104 L CB -0.475 41.516 42.059 -0.114 0.000 0.919 104 L HN 0.210 nan 8.230 nan 0.000 0.442 105 D N -0.123 120.196 120.400 -0.134 0.000 2.349 105 D HA 0.123 4.764 4.640 0.000 0.000 0.224 105 D C 0.718 176.929 176.300 -0.148 0.000 1.029 105 D CA 0.246 54.165 54.000 -0.134 0.000 0.879 105 D CB 0.016 40.724 40.800 -0.152 0.000 0.906 105 D HN 0.182 nan 8.370 nan 0.000 0.528 106 I N 1.180 121.661 120.570 -0.148 0.000 2.741 106 I HA -0.112 4.059 4.170 0.000 0.000 0.288 106 I C 1.189 177.249 176.117 -0.094 0.000 1.192 106 I CA 0.529 61.756 61.300 -0.123 0.000 1.426 106 I CB 0.539 38.463 38.000 -0.127 0.000 1.367 106 I HN -0.194 nan 8.210 nan 0.000 0.563 107 E N 6.376 126.533 120.200 -0.073 0.000 2.499 107 E HA 0.209 4.559 4.350 0.000 0.000 0.207 107 E C -0.775 175.804 176.600 -0.035 0.000 1.034 107 E CA -0.204 56.170 56.400 -0.042 0.000 1.098 107 E CB 0.314 29.999 29.700 -0.026 0.000 1.148 107 E HN 0.485 nan 8.360 nan 0.000 0.447 108 V N -3.539 116.347 119.914 -0.047 0.000 3.181 108 V HA 0.706 4.827 4.120 0.000 0.000 0.308 108 V C -2.735 173.326 176.094 -0.056 0.000 1.214 108 V CA -2.930 59.341 62.300 -0.047 0.000 1.053 108 V CB 1.585 33.382 31.823 -0.044 0.000 1.069 108 V HN -0.113 nan 8.190 nan 0.000 0.441 109 P HA 0.240 nan 4.420 nan 0.000 0.266 109 P C -0.708 176.547 177.300 -0.075 0.000 1.195 109 P CA 0.202 63.264 63.100 -0.063 0.000 0.768 109 P CB 0.819 32.484 31.700 -0.059 0.000 0.838 110 V N 4.860 124.727 119.914 -0.078 0.000 2.444 110 V HA 0.369 4.490 4.120 0.000 0.000 0.294 110 V C 0.438 176.491 176.094 -0.069 0.000 1.022 110 V CA -0.556 61.693 62.300 -0.085 0.000 0.850 110 V CB 1.495 33.255 31.823 -0.104 0.000 0.992 110 V HN 0.366 nan 8.190 nan 0.000 0.426 111 I N 3.161 123.689 120.570 -0.070 0.000 2.321 111 I HA 0.341 4.511 4.170 0.000 0.000 0.291 111 I C 0.476 176.580 176.117 -0.021 0.000 0.998 111 I CA 0.107 61.380 61.300 -0.046 0.000 1.227 111 I CB 1.672 39.629 38.000 -0.071 0.000 1.368 111 I HN 0.527 nan 8.210 nan 0.000 0.466 112 S N 5.063 120.764 115.700 0.002 0.000 2.513 112 S HA 0.546 5.017 4.470 0.000 0.000 0.276 112 S C 0.143 174.772 174.600 0.048 0.000 1.254 112 S CA -0.615 57.607 58.200 0.037 0.000 1.053 112 S CB 1.204 64.399 63.200 -0.008 0.000 0.958 112 S HN 0.693 nan 8.310 nan 0.000 0.491 113 A N 3.842 126.724 122.820 0.102 0.000 2.394 113 A HA 0.534 4.854 4.320 0.000 0.000 0.333 113 A C -0.340 177.344 177.584 0.166 0.000 1.397 113 A CA -0.631 51.472 52.037 0.110 0.000 0.884 113 A CB 0.121 19.190 19.000 0.115 0.000 1.147 113 A HN 0.618 nan 8.150 nan 0.000 0.505 114 V N 3.470 123.429 119.914 0.076 0.000 2.372 114 V HA 0.048 4.168 4.120 0.000 0.000 0.261 114 V C 0.966 177.112 176.094 0.086 0.000 1.055 114 V CA 0.254 62.564 62.300 0.016 0.000 0.930 114 V CB -0.023 31.691 31.823 -0.182 0.000 1.031 114 V HN 1.008 nan 8.190 nan 0.000 0.479 115 N N 3.499 122.323 118.700 0.206 0.000 2.313 115 N HA 0.467 5.208 4.740 0.000 0.000 0.207 115 N C 0.504 176.071 175.510 0.096 0.000 1.141 115 N CA 0.325 53.457 53.050 0.137 0.000 0.830 115 N CB 0.735 39.311 38.487 0.149 0.000 1.008 115 N HN 0.785 nan 8.380 nan 0.000 0.481 116 G N -0.602 108.236 108.800 0.062 0.000 2.332 116 G HA2 0.363 4.324 3.960 0.000 0.000 0.265 116 G HA3 0.363 4.324 3.960 0.000 0.000 0.265 116 G C -1.441 173.446 174.900 -0.022 0.000 1.329 116 G CA -0.596 44.513 45.100 0.015 0.000 0.949 116 G HN 0.428 nan 8.290 nan 0.000 0.476 117 A N -0.550 122.263 122.820 -0.012 0.000 2.565 117 A HA 0.590 4.910 4.320 0.000 0.000 0.237 117 A C 0.781 178.385 177.584 0.033 0.000 1.053 117 A CA 1.511 53.522 52.037 -0.043 0.000 0.755 117 A CB -0.032 18.968 19.000 0.001 0.000 0.980 117 A HN 2.418 nan 8.150 nan 0.000 0.506 118 A N 3.196 125.969 122.820 -0.079 0.000 2.709 118 A HA 0.560 4.881 4.320 0.000 0.000 0.332 118 A C 0.316 177.965 177.584 0.108 0.000 1.241 118 A CA -0.447 51.641 52.037 0.085 0.000 0.782 118 A CB -0.009 18.850 19.000 -0.236 0.000 1.109 118 A HN 0.822 nan 8.150 nan 0.000 0.472 119 L N 1.668 122.963 121.223 0.121 0.000 2.616 119 L HA 0.342 4.683 4.340 0.000 0.000 0.229 119 L C 0.089 176.976 176.870 0.028 0.000 1.110 119 L CA 0.423 55.299 54.840 0.060 0.000 0.884 119 L CB -0.257 41.815 42.059 0.022 0.000 1.115 119 L HN 0.735 nan 8.230 nan 0.000 0.481 120 L N -6.037 115.216 121.223 0.050 0.000 2.469 120 L HA 0.593 4.933 4.340 0.000 0.000 0.256 120 L C -0.081 176.785 176.870 -0.007 0.000 1.006 120 L CA -0.895 53.876 54.840 -0.115 0.000 0.832 120 L CB 1.315 43.191 42.059 -0.305 0.000 1.421 120 L HN -0.028 nan 8.230 nan 0.000 0.410 121 H N -0.116 118.930 119.070 -0.039 0.000 2.921 121 H HA -0.168 4.388 4.556 0.001 0.000 0.281 121 H C 1.530 176.879 175.328 0.035 0.000 1.165 121 H CA 0.899 56.832 56.048 -0.192 0.000 1.151 121 H CB -1.358 27.965 29.762 -0.731 0.000 1.311 121 H HN 0.940 nan 8.280 nan 0.000 0.361 122 S N 0.278 116.138 115.700 0.267 0.000 2.469 122 S HA -0.177 4.293 4.470 0.000 0.000 0.238 122 S C 1.886 176.564 174.600 0.130 0.000 0.998 122 S CA 1.063 59.389 58.200 0.210 0.000 0.957 122 S CB 0.067 63.576 63.200 0.514 0.000 0.764 122 S HN 0.656 nan 8.310 nan 0.000 0.514 123 E N 1.142 121.461 120.200 0.197 0.000 2.160 123 E HA -0.243 4.107 4.350 0.000 0.000 0.195 123 E C 1.392 178.115 176.600 0.204 0.000 0.991 123 E CA 1.232 57.708 56.400 0.127 0.000 0.810 123 E CB -0.850 28.974 29.700 0.206 0.000 0.742 123 E HN 0.608 nan 8.360 nan 0.000 0.466 124 Y N 1.278 121.674 120.300 0.161 0.000 2.128 124 Y HA -0.087 4.463 4.550 0.001 0.000 0.284 124 Y C 2.661 178.556 175.900 -0.009 0.000 1.154 124 Y CA 0.426 58.593 58.100 0.111 0.000 1.149 124 Y CB -0.891 37.779 38.460 0.351 0.000 0.976 124 Y HN 0.002 nan 8.280 nan 0.000 0.505 125 I N -0.299 120.335 120.570 0.106 0.000 2.264 125 I HA -0.292 3.879 4.170 0.000 0.000 0.248 125 I C 1.713 177.733 176.117 -0.162 0.000 1.111 125 I CA 1.228 62.467 61.300 -0.102 0.000 1.382 125 I CB -0.484 37.341 38.000 -0.292 0.000 1.060 125 I HN 0.096 nan 8.210 nan 0.000 0.418 126 L N 0.583 121.675 121.223 -0.218 0.000 2.645 126 L HA -0.018 4.323 4.340 0.000 0.000 0.235 126 L C 2.127 178.880 176.870 -0.196 0.000 1.150 126 L CA 0.652 55.311 54.840 -0.302 0.000 0.911 126 L CB -0.880 40.884 42.059 -0.492 0.000 1.077 126 L HN 0.412 nan 8.230 nan 0.000 0.438 127 T N -5.124 109.350 114.554 -0.134 0.000 3.037 127 T HA 0.008 4.359 4.350 0.000 0.000 0.251 127 T C 1.046 175.670 174.700 -0.127 0.000 1.079 127 T CA 0.264 62.285 62.100 -0.131 0.000 1.067 127 T CB -0.250 68.532 68.868 -0.143 0.000 0.948 127 T HN 0.300 nan 8.240 nan 0.000 0.496 128 T N -0.260 114.225 114.554 -0.115 0.000 2.874 128 T HA 0.324 4.674 4.350 0.000 0.000 0.281 128 T C 0.336 174.995 174.700 -0.069 0.000 0.994 128 T CA -0.657 61.387 62.100 -0.092 0.000 1.015 128 T CB 1.307 70.131 68.868 -0.072 0.000 1.028 128 T HN 0.013 nan 8.240 nan 0.000 0.523 129 D N 0.378 120.745 120.400 -0.056 0.000 2.277 129 D HA 0.194 4.834 4.640 0.000 0.000 0.209 129 D C 0.408 176.698 176.300 -0.018 0.000 0.970 129 D CA 0.768 54.738 54.000 -0.050 0.000 0.874 129 D CB 0.496 41.258 40.800 -0.063 0.000 0.982 129 D HN 0.507 nan 8.370 nan 0.000 0.504 130 I N 1.373 121.959 120.570 0.028 0.000 2.478 130 I HA 0.289 4.460 4.170 0.000 0.000 0.287 130 I C -0.858 175.348 176.117 0.148 0.000 1.042 130 I CA -0.500 60.872 61.300 0.120 0.000 1.067 130 I CB 2.702 40.725 38.000 0.040 0.000 1.233 130 I HN -0.315 nan 8.210 nan 0.000 0.431 131 I N 7.244 127.968 120.570 0.256 0.000 2.382 131 I HA 0.425 4.596 4.170 0.000 0.000 0.286 131 I C -0.722 175.375 176.117 -0.033 0.000 1.002 131 I CA -0.431 60.852 61.300 -0.029 0.000 1.135 131 I CB 1.288 39.140 38.000 -0.247 0.000 1.288 131 I HN 0.277 nan 8.210 nan 0.000 0.448 132 L N 6.026 127.259 121.223 0.017 0.000 2.334 132 L HA 0.888 5.228 4.340 0.000 0.000 0.276 132 L C -0.077 176.819 176.870 0.043 0.000 1.014 132 L CA -0.616 54.247 54.840 0.039 0.000 0.815 132 L CB 1.882 43.972 42.059 0.052 0.000 1.268 132 L HN 0.641 nan 8.230 nan 0.000 0.428 133 A N 1.371 124.222 122.820 0.051 0.000 2.414 133 A HA 0.717 5.037 4.320 0.000 0.000 0.306 133 A C -0.236 177.367 177.584 0.032 0.000 1.054 133 A CA -0.560 51.510 52.037 0.055 0.000 0.724 133 A CB 1.741 20.813 19.000 0.119 0.000 1.267 133 A HN 0.711 nan 8.150 nan 0.000 0.418 134 S N 0.978 116.692 115.700 0.024 0.000 2.593 134 S HA 0.195 4.665 4.470 0.000 0.000 0.269 134 S C 0.557 175.161 174.600 0.006 0.000 1.334 134 S CA 0.189 58.399 58.200 0.017 0.000 1.015 134 S CB 0.612 63.826 63.200 0.023 0.000 0.912 134 S HN 0.700 nan 8.310 nan 0.000 0.541 135 E N 1.377 121.578 120.200 0.002 0.000 2.209 135 E HA -0.230 4.120 4.350 0.000 0.000 0.196 135 E C 1.660 178.263 176.600 0.005 0.000 0.993 135 E CA 1.598 57.998 56.400 -0.000 0.000 0.819 135 E CB -0.496 29.201 29.700 -0.005 0.000 0.745 135 E HN 0.966 nan 8.360 nan 0.000 0.477 136 N N -0.129 118.572 118.700 0.001 0.000 2.461 136 N HA -0.048 4.692 4.740 0.000 0.000 0.188 136 N C 0.084 175.580 175.510 -0.023 0.000 1.134 136 N CA 0.160 53.208 53.050 -0.003 0.000 0.878 136 N CB 0.265 38.753 38.487 0.002 0.000 0.972 136 N HN -0.210 nan 8.380 nan 0.000 0.456 137 T N 1.246 115.772 114.554 -0.046 0.000 2.930 137 T HA 0.257 4.608 4.350 0.000 0.000 0.306 137 T C 0.020 174.636 174.700 -0.141 0.000 1.045 137 T CA -0.336 61.679 62.100 -0.142 0.000 1.134 137 T CB 1.235 69.974 68.868 -0.214 0.000 0.961 137 T HN 0.210 nan 8.240 nan 0.000 0.545 138 V N 0.968 120.749 119.914 -0.222 0.000 2.789 138 V HA 0.807 4.928 4.120 0.000 0.000 0.311 138 V C -1.237 174.698 176.094 -0.265 0.000 1.073 138 V CA -1.264 60.969 62.300 -0.112 0.000 0.921 138 V CB 1.484 33.294 31.823 -0.021 0.000 1.009 138 V HN 0.677 nan 8.190 nan 0.000 0.426 139 F N 2.697 122.699 119.950 0.088 0.000 2.469 139 F HA 0.830 5.357 4.527 0.000 0.000 0.332 139 F C 0.241 176.096 175.800 0.092 0.000 1.103 139 F CA -0.136 57.940 58.000 0.126 0.000 0.979 139 F CB 1.931 41.051 39.000 0.200 0.000 1.137 139 F HN 0.763 nan 8.300 nan 0.000 0.463 140 Q N 1.417 121.347 119.800 0.217 0.000 2.472 140 Q HA 0.186 4.526 4.340 0.000 0.000 0.281 140 Q C -2.071 173.888 176.000 -0.068 0.000 0.997 140 Q CA -0.813 54.963 55.803 -0.046 0.000 0.828 140 Q CB 2.401 31.081 28.738 -0.097 0.000 1.443 140 Q HN 0.600 nan 8.270 nan 0.000 0.390 141 D N 3.409 123.618 120.400 -0.318 0.000 2.494 141 D HA 0.136 4.776 4.640 0.000 0.000 0.217 141 D C 0.507 176.718 176.300 -0.149 0.000 1.153 141 D CA 0.085 54.001 54.000 -0.139 0.000 0.954 141 D CB 0.468 41.202 40.800 -0.109 0.000 1.034 141 D HN 0.650 nan 8.370 nan 0.000 0.518 142 M N 4.032 123.567 119.600 -0.108 0.000 2.123 142 M HA 0.021 4.502 4.480 0.000 0.000 0.263 142 M C -1.007 175.240 176.300 -0.088 0.000 1.069 142 M CA 0.899 56.143 55.300 -0.094 0.000 1.133 142 M CB -0.412 32.157 32.600 -0.052 0.000 1.356 142 M HN 0.199 nan 8.290 nan 0.000 0.415 143 P HA -0.065 nan 4.420 nan 0.000 0.222 143 P C 0.514 177.722 177.300 -0.155 0.000 1.153 143 P CA 1.535 64.566 63.100 -0.114 0.000 0.798 143 P CB -0.295 31.306 31.700 -0.164 0.000 0.796 144 H N -0.344 118.721 119.070 -0.008 0.000 2.284 144 H HA 0.008 4.564 4.556 0.000 0.000 0.304 144 H C 1.782 177.080 175.328 -0.050 0.000 1.069 144 H CA 0.964 57.000 56.048 -0.021 0.000 1.327 144 H CB -0.726 29.013 29.762 -0.038 0.000 1.387 144 H HN -0.041 nan 8.280 nan 0.000 0.498 145 L N 0.837 122.089 121.223 0.049 0.000 2.478 145 L HA -0.069 4.271 4.340 0.000 0.000 0.223 145 L C 1.532 178.381 176.870 -0.034 0.000 1.140 145 L CA 0.809 55.645 54.840 -0.007 0.000 0.842 145 L CB -0.355 41.687 42.059 -0.027 0.000 0.953 145 L HN 0.263 nan 8.230 nan 0.000 0.452 146 N N -0.083 118.589 118.700 -0.047 0.000 2.106 146 N HA -0.090 4.650 4.740 0.000 0.000 0.188 146 N C 1.874 177.326 175.510 -0.097 0.000 1.029 146 N CA 1.472 54.479 53.050 -0.071 0.000 0.848 146 N CB -0.257 38.189 38.487 -0.069 0.000 1.007 146 N HN 0.322 nan 8.380 nan 0.000 0.423 147 A N -0.452 122.310 122.820 -0.096 0.000 2.067 147 A HA 0.329 4.649 4.320 0.000 0.000 0.217 147 A C 1.389 178.928 177.584 -0.075 0.000 1.156 147 A CA 1.103 53.071 52.037 -0.115 0.000 0.683 147 A CB -0.494 18.451 19.000 -0.093 0.000 0.808 147 A HN 0.366 nan 8.150 nan 0.000 0.455 148 G N -0.482 108.290 108.800 -0.047 0.000 2.171 148 G HA2 -0.186 3.775 3.960 0.000 0.000 0.238 148 G HA3 -0.186 3.775 3.960 0.000 0.000 0.238 148 G C 0.081 174.954 174.900 -0.045 0.000 1.039 148 G CA 0.340 45.415 45.100 -0.042 0.000 0.759 148 G HN 1.449 nan 8.290 nan 0.000 0.501 149 I N -3.144 117.413 120.570 -0.022 0.000 3.002 149 I HA 0.836 5.006 4.170 0.000 0.000 0.310 149 I C 0.424 176.523 176.117 -0.028 0.000 1.087 149 I CA -1.719 59.553 61.300 -0.046 0.000 1.017 149 I CB 1.960 39.921 38.000 -0.064 0.000 1.226 149 I HN -0.112 nan 8.210 nan 0.000 0.443 150 V N 3.729 123.580 119.914 -0.106 0.000 2.655 150 V HA 0.142 4.262 4.120 0.000 0.000 0.300 150 V C -1.788 174.132 176.094 -0.290 0.000 1.044 150 V CA -0.846 61.347 62.300 -0.178 0.000 1.095 150 V CB 0.288 31.980 31.823 -0.218 0.000 0.952 150 V HN 0.671 nan 8.190 nan 0.000 0.485 151 P HA 0.124 nan 4.420 nan 0.000 0.241 151 P C 0.628 177.623 177.300 -0.510 0.000 1.760 151 P CA 0.269 62.921 63.100 -0.746 0.000 1.081 151 P CB 0.076 31.559 31.700 -0.361 0.000 1.975 152 G N 1.689 110.209 108.800 -0.467 0.000 3.575 152 G HA2 0.004 3.965 3.960 0.000 0.000 0.273 152 G HA3 0.004 3.965 3.960 0.000 0.000 0.273 152 G C 0.432 175.268 174.900 -0.107 0.000 1.053 152 G CA -0.257 44.548 45.100 -0.492 0.000 0.803 152 G HN 0.318 nan 8.290 nan 0.000 0.528 153 D N -1.078 119.388 120.400 0.109 0.000 2.358 153 D HA 0.297 4.937 4.640 0.000 0.000 0.224 153 D C 1.552 178.053 176.300 0.335 0.000 1.123 153 D CA 0.158 54.334 54.000 0.295 0.000 0.833 153 D CB 0.028 41.064 40.800 0.393 0.000 0.946 153 D HN 0.342 nan 8.370 nan 0.000 0.505 154 G N 0.054 109.113 108.800 0.431 0.000 2.316 154 G HA2 -0.316 3.644 3.960 0.000 0.000 0.203 154 G HA3 -0.316 3.644 3.960 0.000 0.000 0.203 154 G C 1.194 176.189 174.900 0.159 0.000 0.999 154 G CA 0.249 45.477 45.100 0.213 0.000 0.649 154 G HN 0.647 nan 8.290 nan 0.000 0.489 155 V N 0.164 120.256 119.914 0.296 0.000 2.469 155 V HA -0.137 3.983 4.120 0.000 0.000 0.251 155 V C 2.494 178.764 176.094 0.293 0.000 1.064 155 V CA 2.630 65.147 62.300 0.362 0.000 1.066 155 V CB -1.158 30.939 31.823 0.457 0.000 0.667 155 V HN 0.816 nan 8.190 nan 0.000 0.461 156 H N 0.229 119.339 119.070 0.067 0.000 2.521 156 H HA 0.081 4.637 4.556 0.000 0.000 0.286 156 H C 1.872 177.216 175.328 0.027 0.000 1.034 156 H CA 1.784 57.842 56.048 0.016 0.000 1.278 156 H CB -0.348 29.382 29.762 -0.054 0.000 1.386 156 H HN 0.529 nan 8.280 nan 0.000 0.567 157 I N -0.004 120.307 120.570 -0.432 0.000 2.947 157 I HA -0.044 4.126 4.170 0.000 0.000 0.263 157 I C 2.355 178.372 176.117 -0.166 0.000 1.130 157 I CA 0.190 61.292 61.300 -0.331 0.000 1.448 157 I CB 0.125 37.879 38.000 -0.410 0.000 1.222 157 I HN 0.045 nan 8.210 nan 0.000 0.453 158 L N -0.838 120.293 121.223 -0.154 0.000 2.209 158 L HA -0.056 4.284 4.340 0.000 0.000 0.207 158 L C 2.265 178.972 176.870 -0.272 0.000 1.094 158 L CA 1.205 55.913 54.840 -0.220 0.000 0.790 158 L CB -0.401 41.499 42.059 -0.265 0.000 0.932 158 L HN 0.307 nan 8.230 nan 0.000 0.447 159 W N 0.756 121.999 121.300 -0.094 0.000 2.381 159 W HA -0.068 4.592 4.660 0.001 0.000 0.301 159 W C -0.455 175.981 176.519 -0.138 0.000 1.205 159 W CA 0.684 57.942 57.345 -0.146 0.000 1.285 159 W CB -1.349 28.067 29.460 -0.073 0.000 1.133 159 W HN 0.061 nan 8.180 nan 0.000 0.521 160 P HA -0.144 nan 4.420 nan 0.000 0.223 160 P C 1.612 178.892 177.300 -0.033 0.000 1.151 160 P CA 1.080 64.198 63.100 0.029 0.000 0.787 160 P CB -0.106 31.594 31.700 -0.001 0.000 0.788 161 L N -0.412 120.767 121.223 -0.073 0.000 2.109 161 L HA -0.010 4.331 4.340 0.000 0.000 0.207 161 L C 2.144 178.945 176.870 -0.116 0.000 1.086 161 L CA 1.719 56.500 54.840 -0.099 0.000 0.760 161 L CB -1.359 40.624 42.059 -0.128 0.000 0.910 161 L HN -0.122 nan 8.230 nan 0.000 0.437 162 A N -1.011 121.710 122.820 -0.166 0.000 1.898 162 A HA 0.006 4.326 4.320 0.000 0.000 0.214 162 A C 2.001 179.524 177.584 -0.100 0.000 1.183 162 A CA 1.505 53.420 52.037 -0.204 0.000 0.622 162 A CB -0.478 18.268 19.000 -0.424 0.000 0.824 162 A HN 0.426 nan 8.150 nan 0.000 0.444 163 L N -1.105 120.101 121.223 -0.029 0.000 2.693 163 L HA 0.377 4.717 4.340 0.000 0.000 0.235 163 L C 1.015 177.904 176.870 0.032 0.000 1.127 163 L CA 0.190 55.037 54.840 0.011 0.000 0.914 163 L CB -0.374 41.709 42.059 0.040 0.000 1.193 163 L HN 0.573 nan 8.230 nan 0.000 0.502 164 G N 0.322 109.130 108.800 0.013 0.000 2.758 164 G HA2 -0.252 3.709 3.960 0.000 0.000 0.686 164 G HA3 -0.252 3.709 3.960 0.000 0.000 0.686 164 G C -0.055 174.826 174.900 -0.032 0.000 1.389 164 G CA -0.622 44.494 45.100 0.026 0.000 0.845 164 G HN 0.057 nan 8.290 nan 0.000 0.572 165 L N 0.808 121.930 121.223 -0.169 0.000 2.650 165 L HA 0.170 4.510 4.340 0.000 0.000 0.235 165 L C 1.812 178.211 176.870 -0.784 0.000 1.149 165 L CA 0.642 55.230 54.840 -0.420 0.000 0.887 165 L CB -0.315 41.463 42.059 -0.469 0.000 1.021 165 L HN 0.650 nan 8.230 nan 0.000 0.441 166 Y N -2.067 118.284 120.300 0.085 0.000 2.453 166 Y HA 0.045 4.595 4.550 0.000 0.000 0.273 166 Y C 2.520 178.502 175.900 0.137 0.000 1.130 166 Y CA -0.141 58.017 58.100 0.096 0.000 1.271 166 Y CB -0.288 38.201 38.460 0.049 0.000 1.253 166 Y HN -0.143 nan 8.280 nan 0.000 0.512 167 R N 1.187 121.821 120.500 0.223 0.000 2.127 167 R HA -0.090 4.251 4.340 0.000 0.000 0.238 167 R C 2.175 178.630 176.300 0.258 0.000 1.134 167 R CA 1.711 57.937 56.100 0.209 0.000 0.975 167 R CB -1.132 29.248 30.300 0.134 0.000 0.865 167 R HN 0.474 nan 8.270 nan 0.000 0.447 168 G N -0.069 108.833 108.800 0.170 0.000 2.418 168 G HA2 -0.258 3.702 3.960 0.000 0.000 0.217 168 G HA3 -0.258 3.702 3.960 0.000 0.000 0.217 168 G C 1.401 176.442 174.900 0.235 0.000 1.158 168 G CA 0.743 45.957 45.100 0.190 0.000 0.771 168 G HN 0.341 nan 8.290 nan 0.000 0.545 169 R N -1.166 119.446 120.500 0.186 0.000 2.090 169 R HA -0.022 4.318 4.340 0.000 0.000 0.228 169 R C 2.295 178.806 176.300 0.351 0.000 1.110 169 R CA 1.079 57.313 56.100 0.225 0.000 0.973 169 R CB -0.514 29.930 30.300 0.239 0.000 0.869 169 R HN 0.503 nan 8.270 nan 0.000 0.440 170 Y N 0.800 121.236 120.300 0.226 0.000 2.145 170 Y HA -0.295 4.255 4.550 0.000 0.000 0.286 170 Y C 2.050 178.052 175.900 0.169 0.000 1.145 170 Y CA 1.623 59.845 58.100 0.204 0.000 1.148 170 Y CB -0.437 38.119 38.460 0.160 0.000 0.981 170 Y HN 0.012 nan 8.280 nan 0.000 0.507 171 F N 0.158 120.176 119.950 0.114 0.000 2.126 171 F HA -0.264 4.263 4.527 0.000 0.000 0.299 171 F C 1.760 177.451 175.800 -0.183 0.000 1.096 171 F CA 1.974 59.928 58.000 -0.076 0.000 1.255 171 F CB -0.465 38.478 39.000 -0.095 0.000 0.997 171 F HN 0.070 nan 8.300 nan 0.000 0.479 172 L N -1.400 119.785 121.223 -0.064 0.000 2.068 172 L HA -0.122 4.219 4.340 0.000 0.000 0.204 172 L C 2.410 179.121 176.870 -0.264 0.000 1.076 172 L CA 1.038 55.733 54.840 -0.241 0.000 0.753 172 L CB -0.822 41.147 42.059 -0.150 0.000 0.910 172 L HN 0.086 nan 8.230 nan 0.000 0.439 173 F N 0.315 120.180 119.950 -0.142 0.000 2.234 173 F HA -0.192 4.336 4.527 0.000 0.000 0.299 173 F C 2.537 178.202 175.800 -0.224 0.000 1.087 173 F CA 1.543 59.456 58.000 -0.146 0.000 1.340 173 F CB -0.104 38.840 39.000 -0.093 0.000 1.031 173 F HN 0.184 nan 8.300 nan 0.000 0.500 174 T N -3.272 111.178 114.554 -0.173 0.000 3.069 174 T HA 0.102 4.453 4.350 0.000 0.000 0.252 174 T C 0.575 175.091 174.700 -0.307 0.000 1.053 174 T CA -0.139 61.788 62.100 -0.288 0.000 0.964 174 T CB -0.107 68.436 68.868 -0.542 0.000 1.005 174 T HN 0.324 nan 8.240 nan 0.000 0.532 175 Q N 0.998 120.579 119.800 -0.365 0.000 2.453 175 Q HA -0.193 4.147 4.340 0.000 0.000 0.294 175 Q C -0.108 175.622 176.000 -0.451 0.000 1.295 175 Q CA 0.585 56.136 55.803 -0.420 0.000 0.853 175 Q CB -1.706 26.882 28.738 -0.251 0.000 1.193 175 Q HN 0.848 nan 8.270 nan 0.000 0.461 176 E N 1.206 121.066 120.200 -0.567 0.000 2.413 176 E HA 0.051 4.401 4.350 0.000 0.000 0.263 176 E C -0.499 175.914 176.600 -0.312 0.000 1.015 176 E CA 0.277 56.471 56.400 -0.343 0.000 0.916 176 E CB 0.666 30.283 29.700 -0.137 0.000 0.947 176 E HN 0.092 nan 8.360 nan 0.000 0.440 177 K N 4.099 124.452 120.400 -0.078 0.000 2.185 177 K HA 0.390 4.711 4.320 0.000 0.000 0.269 177 K C -0.720 175.964 176.600 0.139 0.000 0.987 177 K CA -0.534 55.767 56.287 0.023 0.000 0.865 177 K CB 1.156 33.661 32.500 0.008 0.000 1.090 177 K HN 0.435 nan 8.250 nan 0.000 0.450 178 L N 2.757 124.122 121.223 0.237 0.000 2.313 178 L HA 0.321 4.661 4.340 0.000 0.000 0.283 178 L C 0.676 177.706 176.870 0.265 0.000 1.013 178 L CA -0.860 54.131 54.840 0.251 0.000 0.816 178 L CB 1.758 43.975 42.059 0.264 0.000 1.236 178 L HN 0.767 nan 8.230 nan 0.000 0.419 179 T N -0.650 114.018 114.554 0.190 0.000 2.766 179 T HA 0.293 4.643 4.350 0.000 0.000 0.295 179 T C 1.323 176.162 174.700 0.231 0.000 1.024 179 T CA -0.007 62.191 62.100 0.164 0.000 1.018 179 T CB 1.469 70.402 68.868 0.109 0.000 1.002 179 T HN 0.638 nan 8.240 nan 0.000 0.532 180 A N 0.494 123.426 122.820 0.186 0.000 1.908 180 A HA -0.157 4.163 4.320 0.000 0.000 0.218 180 A C 2.406 180.103 177.584 0.188 0.000 1.181 180 A CA 2.176 54.345 52.037 0.220 0.000 0.627 180 A CB -1.308 17.760 19.000 0.114 0.000 0.818 180 A HN 0.914 nan 8.150 nan 0.000 0.445 181 Q N -0.242 119.639 119.800 0.134 0.000 2.084 181 Q HA -0.198 4.142 4.340 0.000 0.000 0.202 181 Q C 2.109 178.221 176.000 0.187 0.000 0.978 181 Q CA 2.296 58.186 55.803 0.144 0.000 0.844 181 Q CB -0.438 28.356 28.738 0.092 0.000 0.898 181 Q HN 0.758 nan 8.270 nan 0.000 0.426 182 Q N -0.751 119.140 119.800 0.151 0.000 2.084 182 Q HA -0.104 4.237 4.340 0.000 0.000 0.202 182 Q C 2.033 178.098 176.000 0.108 0.000 0.978 182 Q CA 1.441 57.319 55.803 0.126 0.000 0.844 182 Q CB -0.277 28.534 28.738 0.122 0.000 0.898 182 Q HN 0.531 nan 8.270 nan 0.000 0.426 183 A N -0.007 122.888 122.820 0.126 0.000 1.969 183 A HA -0.206 4.115 4.320 0.000 0.000 0.218 183 A C 1.850 179.446 177.584 0.019 0.000 1.169 183 A CA 1.153 53.201 52.037 0.017 0.000 0.635 183 A CB -0.716 18.250 19.000 -0.058 0.000 0.810 183 A HN 0.524 nan 8.150 nan 0.000 0.445 184 Y N 0.945 121.233 120.300 -0.020 0.000 2.145 184 Y HA -0.188 4.362 4.550 0.000 0.000 0.286 184 Y C 2.155 178.051 175.900 -0.006 0.000 1.145 184 Y CA 2.222 60.309 58.100 -0.021 0.000 1.148 184 Y CB -0.337 38.130 38.460 0.011 0.000 0.981 184 Y HN 0.465 nan 8.280 nan 0.000 0.507 185 E N 0.051 120.249 120.200 -0.003 0.000 2.153 185 E HA -0.176 4.174 4.350 0.000 0.000 0.194 185 E C 1.775 178.309 176.600 -0.109 0.000 0.988 185 E CA 1.292 57.634 56.400 -0.095 0.000 0.811 185 E CB -0.230 29.485 29.700 0.024 0.000 0.746 185 E HN 0.494 nan 8.360 nan 0.000 0.466 186 L N 0.752 121.933 121.223 -0.071 0.000 2.591 186 L HA 0.062 4.402 4.340 0.000 0.000 0.228 186 L C 0.179 176.990 176.870 -0.098 0.000 1.133 186 L CA -0.075 54.724 54.840 -0.068 0.000 0.880 186 L CB -0.102 41.931 42.059 -0.043 0.000 1.033 186 L HN 0.141 nan 8.230 nan 0.000 0.450 187 N N -1.846 116.775 118.700 -0.132 0.000 2.909 187 N HA -0.176 4.564 4.740 0.000 0.000 0.242 187 N C 1.031 176.503 175.510 -0.062 0.000 0.975 187 N CA 1.035 54.032 53.050 -0.088 0.000 0.921 187 N CB -1.357 37.089 38.487 -0.068 0.000 1.112 187 N HN 0.179 nan 8.380 nan 0.000 0.581 188 V N -0.027 119.768 119.914 -0.198 0.000 2.302 188 V HA -0.001 4.119 4.120 0.000 0.000 0.243 188 V C 1.383 177.113 176.094 -0.606 0.000 1.036 188 V CA 1.199 63.286 62.300 -0.355 0.000 1.020 188 V CB 0.120 31.683 31.823 -0.434 0.000 0.657 188 V HN 0.107 nan 8.190 nan 0.000 0.453 189 V N 0.360 120.012 119.914 -0.436 0.000 2.546 189 V HA 0.193 4.313 4.120 0.000 0.000 0.284 189 V C 0.860 176.783 176.094 -0.285 0.000 1.050 189 V CA 0.005 62.085 62.300 -0.367 0.000 0.981 189 V CB 0.939 32.759 31.823 -0.005 0.000 0.990 189 V HN 0.552 nan 8.190 nan 0.000 0.474 190 H N 1.778 120.922 119.070 0.124 0.000 2.639 190 H HA 0.355 4.911 4.556 0.000 0.000 0.267 190 H C 0.038 175.524 175.328 0.264 0.000 0.958 190 H CA 0.018 56.155 56.048 0.149 0.000 1.221 190 H CB 0.748 30.537 29.762 0.045 0.000 1.446 190 H HN 0.617 nan 8.280 nan 0.000 0.512 191 E N 0.849 121.184 120.200 0.225 0.000 2.321 191 E HA 0.358 4.708 4.350 0.000 0.000 0.278 191 E C -1.431 175.163 176.600 -0.009 0.000 0.902 191 E CA -0.633 55.823 56.400 0.094 0.000 0.758 191 E CB 3.493 33.241 29.700 0.080 0.000 1.213 191 E HN -0.128 nan 8.360 nan 0.000 0.426 192 V N 3.759 123.576 119.914 -0.161 0.000 2.398 192 V HA 0.396 4.516 4.120 0.000 0.000 0.286 192 V C -0.484 175.559 176.094 -0.085 0.000 1.026 192 V CA -0.677 61.549 62.300 -0.123 0.000 0.868 192 V CB 1.039 32.738 31.823 -0.206 0.000 0.982 192 V HN 0.483 nan 8.190 nan 0.000 0.443 193 L N 5.995 127.199 121.223 -0.032 0.000 2.370 193 L HA 0.624 4.965 4.340 0.000 0.000 0.266 193 L C -2.540 174.327 176.870 -0.006 0.000 1.002 193 L CA -2.122 52.710 54.840 -0.014 0.000 0.818 193 L CB 2.297 44.363 42.059 0.012 0.000 1.325 193 L HN 0.370 nan 8.230 nan 0.000 0.418 194 P HA 0.076 nan 4.420 nan 0.000 0.267 194 P C 0.543 177.851 177.300 0.012 0.000 1.200 194 P CA 0.010 63.111 63.100 0.002 0.000 0.772 194 P CB 0.588 32.289 31.700 0.002 0.000 0.855 195 Q N 1.432 121.240 119.800 0.014 0.000 2.156 195 Q HA -0.232 4.108 4.340 0.000 0.000 0.211 195 Q C 1.820 177.835 176.000 0.024 0.000 0.995 195 Q CA 2.485 58.300 55.803 0.021 0.000 0.877 195 Q CB -0.553 28.196 28.738 0.018 0.000 0.920 195 Q HN 0.614 nan 8.270 nan 0.000 0.416 196 S N -0.366 115.344 115.700 0.016 0.000 2.515 196 S HA 0.005 4.475 4.470 0.000 0.000 0.231 196 S C 1.374 175.985 174.600 0.019 0.000 0.987 196 S CA 0.509 58.717 58.200 0.014 0.000 0.936 196 S CB 0.205 63.409 63.200 0.007 0.000 0.766 196 S HN 0.202 nan 8.310 nan 0.000 0.528 197 K N 0.015 120.430 120.400 0.025 0.000 2.373 197 K HA 0.321 4.642 4.320 0.000 0.000 0.200 197 K C 1.416 178.046 176.600 0.050 0.000 1.054 197 K CA -0.064 56.242 56.287 0.032 0.000 1.065 197 K CB -0.001 32.513 32.500 0.023 0.000 0.886 197 K HN 0.299 nan 8.250 nan 0.000 0.546 198 L N 1.351 122.606 121.223 0.053 0.000 1.994 198 L HA -0.131 4.210 4.340 0.000 0.000 0.208 198 L C 2.024 178.956 176.870 0.103 0.000 1.071 198 L CA 1.817 56.698 54.840 0.069 0.000 0.745 198 L CB -0.299 41.800 42.059 0.066 0.000 0.892 198 L HN 0.032 nan 8.230 nan 0.000 0.431 199 M N -0.640 119.033 119.600 0.122 0.000 2.175 199 M HA -0.156 4.324 4.480 0.000 0.000 0.264 199 M C 2.185 178.645 176.300 0.267 0.000 1.063 199 M CA 1.473 56.895 55.300 0.203 0.000 1.119 199 M CB -1.290 31.423 32.600 0.187 0.000 1.377 199 M HN 0.360 nan 8.290 nan 0.000 0.415 200 E N -0.293 120.003 120.200 0.159 0.000 2.077 200 E HA -0.228 4.123 4.350 0.000 0.000 0.193 200 E C 2.156 178.860 176.600 0.174 0.000 0.989 200 E CA 1.169 57.659 56.400 0.150 0.000 0.800 200 E CB -0.172 29.570 29.700 0.071 0.000 0.746 200 E HN 0.228 nan 8.360 nan 0.000 0.452 201 R N 1.189 121.765 120.500 0.127 0.000 2.075 201 R HA -0.064 4.277 4.340 0.000 0.000 0.232 201 R C 2.005 178.370 176.300 0.109 0.000 1.126 201 R CA 1.618 57.780 56.100 0.103 0.000 0.963 201 R CB -0.744 29.599 30.300 0.072 0.000 0.858 201 R HN 0.159 nan 8.270 nan 0.000 0.435 202 A N -0.580 122.311 122.820 0.117 0.000 1.883 202 A HA -0.185 4.135 4.320 0.000 0.000 0.217 202 A C 2.110 179.699 177.584 0.008 0.000 1.186 202 A CA 1.625 53.691 52.037 0.048 0.000 0.624 202 A CB -1.176 17.845 19.000 0.035 0.000 0.822 202 A HN 0.583 nan 8.150 nan 0.000 0.444 203 W N -0.252 121.071 121.300 0.038 0.000 2.388 203 W HA -0.028 4.632 4.660 0.001 0.000 0.294 203 W C 2.329 178.868 176.519 0.035 0.000 1.212 203 W CA 1.289 58.658 57.345 0.041 0.000 1.271 203 W CB -0.099 29.387 29.460 0.043 0.000 1.126 203 W HN 0.562 nan 8.180 nan 0.000 0.535 204 E N 0.600 120.939 120.200 0.231 0.000 2.051 204 E HA -0.232 4.118 4.350 0.000 0.000 0.192 204 E C 1.967 178.618 176.600 0.085 0.000 0.991 204 E CA 1.787 58.272 56.400 0.142 0.000 0.799 204 E CB -0.411 29.352 29.700 0.107 0.000 0.748 204 E HN 0.232 nan 8.360 nan 0.000 0.449 205 I N 0.866 121.470 120.570 0.056 0.000 2.226 205 I HA -0.251 3.919 4.170 0.000 0.000 0.245 205 I C 2.573 178.686 176.117 -0.006 0.000 1.100 205 I CA 0.941 62.254 61.300 0.020 0.000 1.374 205 I CB -0.327 37.679 38.000 0.011 0.000 1.057 205 I HN 0.203 nan 8.210 nan 0.000 0.413 206 A N 0.868 123.663 122.820 -0.041 0.000 1.902 206 A HA -0.208 4.112 4.320 0.000 0.000 0.217 206 A C 2.392 179.964 177.584 -0.019 0.000 1.181 206 A CA 1.479 53.462 52.037 -0.091 0.000 0.623 206 A CB -0.550 18.288 19.000 -0.270 0.000 0.818 206 A HN 0.318 nan 8.150 nan 0.000 0.443 207 R N -1.051 119.482 120.500 0.055 0.000 2.092 207 R HA -0.078 4.263 4.340 0.000 0.000 0.231 207 R C 2.243 178.572 176.300 0.048 0.000 1.119 207 R CA 1.707 57.858 56.100 0.085 0.000 0.970 207 R CB -0.687 29.695 30.300 0.136 0.000 0.864 207 R HN 0.532 nan 8.270 nan 0.000 0.440 208 T N 1.700 116.276 114.554 0.036 0.000 2.708 208 T HA -0.095 4.256 4.350 0.000 0.000 0.266 208 T C 1.899 176.603 174.700 0.007 0.000 1.037 208 T CA 1.038 63.151 62.100 0.022 0.000 1.146 208 T CB -0.145 68.735 68.868 0.019 0.000 0.865 208 T HN 0.124 nan 8.240 nan 0.000 0.435 209 L N 0.762 121.982 121.223 -0.005 0.000 2.083 209 L HA -0.077 4.263 4.340 0.000 0.000 0.209 209 L C 2.911 179.772 176.870 -0.015 0.000 1.083 209 L CA 1.153 55.982 54.840 -0.018 0.000 0.752 209 L CB -0.567 41.472 42.059 -0.034 0.000 0.899 209 L HN 0.239 nan 8.230 nan 0.000 0.433 210 A N -0.300 122.515 122.820 -0.007 0.000 2.172 210 A HA -0.167 4.153 4.320 0.000 0.000 0.216 210 A C 2.146 179.733 177.584 0.004 0.000 1.154 210 A CA 1.152 53.188 52.037 -0.002 0.000 0.701 210 A CB -0.332 18.677 19.000 0.015 0.000 0.789 210 A HN 0.349 nan 8.150 nan 0.000 0.465 211 K N -0.053 120.352 120.400 0.007 0.000 2.365 211 K HA -0.015 4.305 4.320 0.000 0.000 0.199 211 K C 0.375 176.973 176.600 -0.004 0.000 1.045 211 K CA 0.280 56.571 56.287 0.006 0.000 0.962 211 K CB 0.036 32.541 32.500 0.010 0.000 0.759 211 K HN 0.470 nan 8.250 nan 0.000 0.469 212 Q N 1.121 120.915 119.800 -0.011 0.000 2.421 212 Q HA 0.114 4.455 4.340 0.000 0.000 0.255 212 Q C -2.291 173.693 176.000 -0.026 0.000 1.013 212 Q CA -1.727 54.064 55.803 -0.019 0.000 0.895 212 Q CB -0.109 28.614 28.738 -0.025 0.000 1.271 212 Q HN -0.001 nan 8.270 nan 0.000 0.460 213 P HA 0.014 nan 4.420 nan 0.000 0.267 213 P C 0.469 177.729 177.300 -0.067 0.000 1.200 213 P CA 0.216 63.290 63.100 -0.044 0.000 0.772 213 P CB 0.449 32.122 31.700 -0.045 0.000 0.855 214 T N 1.759 116.268 114.554 -0.074 0.000 2.684 214 T HA -0.140 4.210 4.350 0.000 0.000 0.267 214 T C 1.714 176.313 174.700 -0.169 0.000 1.036 214 T CA 1.362 63.404 62.100 -0.097 0.000 1.148 214 T CB -0.617 68.202 68.868 -0.082 0.000 0.863 214 T HN 0.321 nan 8.240 nan 0.000 0.436 215 L N 1.001 122.090 121.223 -0.223 0.000 2.131 215 L HA -0.098 4.243 4.340 0.000 0.000 0.210 215 L C 2.627 179.273 176.870 -0.373 0.000 1.092 215 L CA 0.993 55.569 54.840 -0.441 0.000 0.759 215 L CB -0.582 41.209 42.059 -0.447 0.000 0.903 215 L HN 0.254 nan 8.230 nan 0.000 0.435 216 N N 0.530 119.127 118.700 -0.172 0.000 2.142 216 N HA -0.156 4.584 4.740 0.000 0.000 0.186 216 N C 1.878 177.349 175.510 -0.065 0.000 1.023 216 N CA 1.243 54.245 53.050 -0.080 0.000 0.852 216 N CB -0.128 38.334 38.487 -0.041 0.000 0.998 216 N HN 0.175 nan 8.380 nan 0.000 0.424 217 L N 0.127 121.302 121.223 -0.081 0.000 2.012 217 L HA -0.153 4.187 4.340 0.000 0.000 0.210 217 L C 2.504 179.340 176.870 -0.056 0.000 1.073 217 L CA 1.258 56.062 54.840 -0.061 0.000 0.748 217 L CB -0.310 41.711 42.059 -0.062 0.000 0.891 217 L HN 0.199 nan 8.230 nan 0.000 0.431 218 R N -1.044 119.391 120.500 -0.107 0.000 2.066 218 R HA -0.142 4.198 4.340 0.000 0.000 0.232 218 R C 2.239 178.600 176.300 0.101 0.000 1.131 218 R CA 1.600 57.660 56.100 -0.065 0.000 0.955 218 R CB -0.430 29.763 30.300 -0.178 0.000 0.851 218 R HN 0.405 nan 8.270 nan 0.000 0.432 219 Y N -0.192 120.088 120.300 -0.033 0.000 2.457 219 Y HA -0.056 4.494 4.550 0.000 0.000 0.292 219 Y C 2.357 178.235 175.900 -0.037 0.000 1.125 219 Y CA 0.231 58.311 58.100 -0.034 0.000 1.254 219 Y CB 0.211 38.654 38.460 -0.028 0.000 1.012 219 Y HN 0.085 nan 8.280 nan 0.000 0.555 220 T N -0.032 114.586 114.554 0.106 0.000 2.777 220 T HA -0.174 4.177 4.350 0.000 0.000 0.266 220 T C 1.852 176.562 174.700 0.016 0.000 1.040 220 T CA 1.286 63.410 62.100 0.040 0.000 1.141 220 T CB -0.205 68.668 68.868 0.009 0.000 0.868 220 T HN 0.163 nan 8.240 nan 0.000 0.444 221 R N 1.387 121.894 120.500 0.012 0.000 2.083 221 R HA -0.053 4.288 4.340 0.000 0.000 0.237 221 R C 2.152 178.448 176.300 -0.007 0.000 1.137 221 R CA 1.455 57.549 56.100 -0.011 0.000 0.951 221 R CB -1.187 29.102 30.300 -0.019 0.000 0.851 221 R HN 0.248 nan 8.270 nan 0.000 0.434 222 V N 0.891 120.822 119.914 0.028 0.000 2.287 222 V HA -0.236 3.884 4.120 0.000 0.000 0.248 222 V C 2.397 178.476 176.094 -0.025 0.000 1.053 222 V CA 2.093 64.394 62.300 0.003 0.000 1.027 222 V CB -1.060 30.772 31.823 0.016 0.000 0.646 222 V HN 0.582 nan 8.190 nan 0.000 0.447 223 A N -0.582 122.229 122.820 -0.016 0.000 1.933 223 A HA -0.135 4.185 4.320 0.000 0.000 0.218 223 A C 1.959 179.521 177.584 -0.037 0.000 1.175 223 A CA 1.688 53.706 52.037 -0.031 0.000 0.628 223 A CB -0.449 18.540 19.000 -0.019 0.000 0.814 223 A HN 0.451 nan 8.150 nan 0.000 0.444 224 L N -0.035 121.167 121.223 -0.035 0.000 2.591 224 L HA 0.042 4.382 4.340 0.000 0.000 0.228 224 L C 2.036 178.873 176.870 -0.056 0.000 1.133 224 L CA 1.862 56.673 54.840 -0.047 0.000 0.880 224 L CB -0.152 41.877 42.059 -0.050 0.000 1.033 224 L HN 0.599 nan 8.230 nan 0.000 0.450 225 T N -5.859 108.662 114.554 -0.054 0.000 3.040 225 T HA 0.015 4.366 4.350 0.000 0.000 0.266 225 T C 1.481 176.145 174.700 -0.060 0.000 1.005 225 T CA -0.046 62.017 62.100 -0.062 0.000 0.906 225 T CB 0.167 68.995 68.868 -0.067 0.000 1.082 225 T HN 0.230 nan 8.240 nan 0.000 0.531 226 Q N 1.743 121.511 119.800 -0.054 0.000 2.030 226 Q HA -0.182 4.159 4.340 0.000 0.000 0.204 226 Q C 2.504 178.474 176.000 -0.050 0.000 0.986 226 Q CA 1.558 57.330 55.803 -0.052 0.000 0.843 226 Q CB -0.144 28.564 28.738 -0.050 0.000 0.904 226 Q HN 0.587 nan 8.270 nan 0.000 0.420 227 R N -0.148 120.322 120.500 -0.050 0.000 2.081 227 R HA -0.167 4.173 4.340 0.000 0.000 0.235 227 R C 2.414 178.681 176.300 -0.055 0.000 1.131 227 R CA 1.283 57.354 56.100 -0.048 0.000 0.960 227 R CB -0.387 29.885 30.300 -0.046 0.000 0.856 227 R HN 0.365 nan 8.270 nan 0.000 0.436 228 L N 1.570 122.754 121.223 -0.064 0.000 2.013 228 L HA -0.190 4.150 4.340 0.000 0.000 0.212 228 L C 1.849 178.677 176.870 -0.070 0.000 1.073 228 L CA 1.957 56.752 54.840 -0.075 0.000 0.753 228 L CB -0.334 41.674 42.059 -0.084 0.000 0.890 228 L HN 0.118 nan 8.230 nan 0.000 0.432 229 K N -1.011 119.351 120.400 -0.064 0.000 2.057 229 K HA -0.203 4.117 4.320 0.000 0.000 0.207 229 K C 2.276 178.847 176.600 -0.048 0.000 1.049 229 K CA 1.580 57.831 56.287 -0.059 0.000 0.931 229 K CB -0.281 32.184 32.500 -0.057 0.000 0.714 229 K HN 0.305 nan 8.250 nan 0.000 0.440 230 R N 1.291 121.765 120.500 -0.043 0.000 2.081 230 R HA -0.123 4.217 4.340 0.000 0.000 0.235 230 R C 2.104 178.385 176.300 -0.031 0.000 1.131 230 R CA 1.282 57.362 56.100 -0.033 0.000 0.960 230 R CB -0.260 30.022 30.300 -0.030 0.000 0.856 230 R HN 0.130 nan 8.270 nan 0.000 0.436 231 L N 0.266 121.464 121.223 -0.042 0.000 2.093 231 L HA -0.132 4.208 4.340 0.000 0.000 0.208 231 L C 2.457 179.294 176.870 -0.055 0.000 1.085 231 L CA 0.758 55.570 54.840 -0.047 0.000 0.755 231 L CB -0.275 41.747 42.059 -0.062 0.000 0.904 231 L HN 0.079 nan 8.230 nan 0.000 0.435 232 V N 0.001 119.879 119.914 -0.060 0.000 2.307 232 V HA -0.241 3.879 4.120 0.000 0.000 0.245 232 V C 2.225 178.306 176.094 -0.022 0.000 1.045 232 V CA 1.696 63.962 62.300 -0.057 0.000 1.024 232 V CB -0.645 31.143 31.823 -0.059 0.000 0.651 232 V HN 0.474 nan 8.190 nan 0.000 0.449 233 N N 0.217 118.905 118.700 -0.019 0.000 2.094 233 N HA -0.233 4.508 4.740 0.000 0.000 0.191 233 N C 1.884 177.409 175.510 0.025 0.000 1.023 233 N CA 1.775 54.824 53.050 -0.002 0.000 0.857 233 N CB -0.370 38.111 38.487 -0.010 0.000 1.013 233 N HN 0.688 nan 8.380 nan 0.000 0.426 234 E N -0.166 120.046 120.200 0.020 0.000 2.085 234 E HA -0.128 4.222 4.350 0.000 0.000 0.194 234 E C 1.533 178.194 176.600 0.102 0.000 0.994 234 E CA 1.479 57.905 56.400 0.044 0.000 0.801 234 E CB -0.132 29.585 29.700 0.029 0.000 0.743 234 E HN 0.409 nan 8.360 nan 0.000 0.453 235 G N -0.156 108.708 108.800 0.107 0.000 2.944 235 G HA2 -0.015 3.946 3.960 0.000 0.000 0.220 235 G HA3 -0.015 3.946 3.960 0.000 0.000 0.220 235 G C 1.227 176.332 174.900 0.341 0.000 1.100 235 G CA 0.075 45.312 45.100 0.228 0.000 0.780 235 G HN 0.249 nan 8.290 nan 0.000 0.539 236 I N 2.019 122.714 120.570 0.207 0.000 2.202 236 I HA 0.124 4.294 4.170 0.000 0.000 0.242 236 I C 2.590 178.849 176.117 0.237 0.000 1.091 236 I CA 1.799 63.239 61.300 0.233 0.000 1.368 236 I CB -0.507 37.556 38.000 0.104 0.000 1.058 236 I HN 0.047 nan 8.210 nan 0.000 0.410 237 G N -0.689 108.232 108.800 0.200 0.000 2.421 237 G HA2 -0.334 3.627 3.960 0.000 0.000 0.216 237 G HA3 -0.334 3.627 3.960 0.000 0.000 0.216 237 G C 1.731 176.906 174.900 0.458 0.000 1.171 237 G CA 0.958 46.224 45.100 0.277 0.000 0.775 237 G HN 0.427 nan 8.290 nan 0.000 0.543 238 Y N 2.284 122.716 120.300 0.220 0.000 2.128 238 Y HA -0.091 4.459 4.550 0.001 0.000 0.284 238 Y C 2.789 178.770 175.900 0.135 0.000 1.154 238 Y CA 1.158 59.362 58.100 0.174 0.000 1.149 238 Y CB -0.857 37.685 38.460 0.136 0.000 0.976 238 Y HN 0.127 nan 8.280 nan 0.000 0.505 239 G N -0.057 108.831 108.800 0.147 0.000 2.440 239 G HA2 -0.246 3.714 3.960 0.000 0.000 0.218 239 G HA3 -0.246 3.714 3.960 0.000 0.000 0.218 239 G C 1.827 176.720 174.900 -0.011 0.000 1.154 239 G CA 1.150 46.106 45.100 -0.240 0.000 0.767 239 G HN 0.451 nan 8.290 nan 0.000 0.552 240 L N 0.534 121.908 121.223 0.251 0.000 2.156 240 L HA 0.056 4.396 4.340 0.000 0.000 0.208 240 L C 3.351 180.592 176.870 0.619 0.000 1.095 240 L CA 0.774 55.914 54.840 0.501 0.000 0.770 240 L CB -0.265 42.131 42.059 0.561 0.000 0.914 240 L HN 0.303 nan 8.230 nan 0.000 0.439 241 A N 0.289 123.399 122.820 0.483 0.000 1.873 241 A HA -0.153 4.167 4.320 0.000 0.000 0.215 241 A C 2.228 179.867 177.584 0.091 0.000 1.186 241 A CA 1.323 53.523 52.037 0.270 0.000 0.616 241 A CB -0.696 18.442 19.000 0.230 0.000 0.823 241 A HN 0.321 nan 8.150 nan 0.000 0.442 242 L N -0.738 120.501 121.223 0.027 0.000 2.012 242 L HA -0.249 4.091 4.340 0.000 0.000 0.210 242 L C 2.672 179.448 176.870 -0.157 0.000 1.073 242 L CA 1.998 56.775 54.840 -0.104 0.000 0.748 242 L CB -0.583 41.334 42.059 -0.237 0.000 0.891 242 L HN 0.592 nan 8.230 nan 0.000 0.431 243 E N 0.205 120.324 120.200 -0.134 0.000 2.085 243 E HA -0.215 4.135 4.350 0.000 0.000 0.194 243 E C 2.189 178.424 176.600 -0.608 0.000 0.994 243 E CA 1.267 57.527 56.400 -0.234 0.000 0.801 243 E CB -0.211 29.490 29.700 0.002 0.000 0.743 243 E HN 0.480 nan 8.360 nan 0.000 0.453 244 G N 1.188 109.523 108.800 -0.775 0.000 2.440 244 G HA2 -0.258 3.703 3.960 0.000 0.000 0.218 244 G HA3 -0.258 3.703 3.960 0.000 0.000 0.218 244 G C 1.582 176.109 174.900 -0.622 0.000 1.154 244 G CA 1.034 45.312 45.100 -1.370 0.000 0.767 244 G HN 0.270 nan 8.290 nan 0.000 0.552 245 I N 1.588 121.960 120.570 -0.329 0.000 2.226 245 I HA -0.193 3.978 4.170 0.000 0.000 0.245 245 I C 3.197 179.190 176.117 -0.207 0.000 1.100 245 I CA 1.758 62.938 61.300 -0.200 0.000 1.374 245 I CB -0.589 37.343 38.000 -0.114 0.000 1.057 245 I HN 0.331 nan 8.210 nan 0.000 0.413 246 T N -0.868 113.546 114.554 -0.234 0.000 2.867 246 T HA -0.045 4.305 4.350 0.000 0.000 0.268 246 T C 1.957 176.531 174.700 -0.210 0.000 1.057 246 T CA 0.909 62.897 62.100 -0.187 0.000 1.136 246 T CB -0.379 68.393 68.868 -0.160 0.000 0.874 246 T HN 0.346 nan 8.240 nan 0.000 0.466 247 A N 1.623 124.243 122.820 -0.333 0.000 1.898 247 A HA 0.006 4.327 4.320 0.000 0.000 0.216 247 A C 2.625 180.101 177.584 -0.180 0.000 1.181 247 A CA 1.913 53.778 52.037 -0.287 0.000 0.620 247 A CB -1.458 17.260 19.000 -0.470 0.000 0.819 247 A HN 0.508 nan 8.150 nan 0.000 0.442 248 T N -0.172 114.270 114.554 -0.188 0.000 2.720 248 T HA -0.173 4.177 4.350 0.000 0.000 0.268 248 T C 1.620 176.273 174.700 -0.079 0.000 1.037 248 T CA 1.880 63.918 62.100 -0.102 0.000 1.144 248 T CB -0.428 68.386 68.868 -0.090 0.000 0.864 248 T HN 0.641 nan 8.240 nan 0.000 0.444 249 D N 0.527 120.872 120.400 -0.092 0.000 2.309 249 D HA -0.009 4.631 4.640 0.000 0.000 0.212 249 D C 1.843 178.108 176.300 -0.058 0.000 0.968 249 D CA 0.442 54.401 54.000 -0.068 0.000 0.882 249 D CB -0.312 40.445 40.800 -0.070 0.000 0.918 249 D HN 0.333 nan 8.370 nan 0.000 0.503 250 L N -0.293 120.890 121.223 -0.067 0.000 2.265 250 L HA -0.086 4.254 4.340 0.000 0.000 0.215 250 L C 2.331 179.176 176.870 -0.041 0.000 1.117 250 L CA 0.815 55.622 54.840 -0.055 0.000 0.782 250 L CB -0.238 41.784 42.059 -0.061 0.000 0.914 250 L HN 0.036 nan 8.230 nan 0.000 0.441 251 R N -0.486 119.993 120.500 -0.036 0.000 2.236 251 R HA -0.036 4.305 4.340 0.000 0.000 0.208 251 R C 1.609 177.895 176.300 -0.023 0.000 1.036 251 R CA 0.395 56.481 56.100 -0.025 0.000 1.001 251 R CB -0.175 30.114 30.300 -0.018 0.000 0.896 251 R HN 0.344 nan 8.270 nan 0.000 0.464 252 N N 0.203 118.887 118.700 -0.027 0.000 2.550 252 N HA -0.042 4.699 4.740 0.000 0.000 0.186 252 N C 0.632 176.128 175.510 -0.022 0.000 1.110 252 N CA 1.403 54.439 53.050 -0.023 0.000 0.912 252 N CB 0.621 39.093 38.487 -0.025 0.000 0.968 252 N HN 0.407 nan 8.380 nan 0.000 0.448 253 T N 0.000 114.539 114.554 -0.025 0.000 3.816 253 T HA 0.000 4.350 4.350 0.000 0.000 0.228 253 T CA 0.000 nan 62.100 nan 0.000 1.349 253 T CB 0.000 nan 68.868 nan 0.000 0.612 253 T HN 0.000 nan 8.240 nan 0.000 0.658