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 1gq7_1_E DATA FIRST_RESID 9 DATA SEQUENCE SPRYAQIPTF MRLPHDPQPR GYDVVVIGAP YDGGTSYRPG ARFGPQAIRS DATA SEQUENCE ESGLIHGVGI DRGPGTFDLI NCVDAGDINL TPFDMNIAID TAQSHLSGLL DATA SEQUENCE KANAAFLMIG GDHSLTVAAL RAVAEQHGPL AVVHLDAHSD TNPAFYGGRY DATA SEQUENCE HHGTPFRHGI DEKLIDPAAM VQIGIRGHNP KPDSLDYARG HGVRVVTADE DATA SEQUENCE FGELGVGGTA DLIREKVGQR PVYVSVDIDV VDPAFAPGTG TPAPGGLLSR DATA SEQUENCE EVLALLRCVG DLKPVGFDVM EVSPLYDHGG ITSILATEIG AELLYQYARA DATA SEQUENCE H 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 9 S HA 0.000 nan 4.470 nan 0.000 0.327 9 S C 0.000 174.505 174.600 -0.158 0.000 1.055 9 S CA 0.000 58.142 58.200 -0.097 0.000 1.107 9 S CB 0.000 63.155 63.200 -0.075 0.000 0.593 10 P HA 0.190 nan 4.420 nan 0.000 0.265 10 P C 0.220 177.238 177.300 -0.470 0.000 1.187 10 P CA -0.173 62.628 63.100 -0.499 0.000 0.766 10 P CB 0.695 31.819 31.700 -0.961 0.000 0.820 11 R N 1.188 121.484 120.500 -0.340 0.000 2.280 11 R HA -0.074 4.266 4.340 -0.000 0.000 0.207 11 R C 1.358 177.597 176.300 -0.102 0.000 1.043 11 R CA 1.027 57.042 56.100 -0.141 0.000 1.006 11 R CB -0.448 29.856 30.300 0.007 0.000 0.885 11 R HN 0.659 nan 8.270 nan 0.000 0.467 12 Y N -2.335 117.973 120.300 0.013 0.000 2.457 12 Y HA 0.506 5.056 4.550 -0.000 0.000 0.263 12 Y C 0.447 176.349 175.900 0.004 0.000 1.164 12 Y CA -1.184 56.920 58.100 0.006 0.000 1.274 12 Y CB -0.116 38.346 38.460 0.003 0.000 1.097 12 Y HN -0.163 nan 8.280 nan 0.000 0.523 13 A N 0.728 123.446 122.820 -0.170 0.000 2.293 13 A HA 0.718 5.038 4.320 -0.000 0.000 0.302 13 A C -0.496 177.069 177.584 -0.031 0.000 1.119 13 A CA -0.491 51.507 52.037 -0.065 0.000 0.823 13 A CB 0.510 19.417 19.000 -0.155 0.000 1.097 13 A HN 0.345 nan 8.150 nan 0.000 0.491 14 Q N -0.610 119.189 119.800 -0.002 0.000 3.236 14 Q HA -0.127 4.213 4.340 -0.000 0.000 0.024 14 Q C -0.507 175.495 176.000 0.004 0.000 1.713 14 Q CA 0.214 56.016 55.803 -0.002 0.000 0.236 14 Q CB -0.845 27.884 28.738 -0.015 0.000 0.735 14 Q HN 0.783 nan 8.270 nan 0.000 0.322 15 I N 3.033 123.602 120.570 -0.002 0.000 2.741 15 I HA 0.017 4.187 4.170 -0.000 0.000 0.288 15 I C -1.175 174.933 176.117 -0.015 0.000 1.192 15 I CA -0.844 60.449 61.300 -0.012 0.000 1.426 15 I CB -0.890 37.091 38.000 -0.032 0.000 1.367 15 I HN 0.400 nan 8.210 nan 0.000 0.563 16 P HA 0.168 nan 4.420 nan 0.000 0.276 16 P C -0.391 176.908 177.300 -0.003 0.000 1.243 16 P CA -0.056 63.046 63.100 0.004 0.000 0.768 16 P CB 0.651 32.364 31.700 0.021 0.000 0.856 17 T N -0.132 114.430 114.554 0.014 0.000 2.916 17 T HA 0.423 4.773 4.350 -0.000 0.000 0.292 17 T C -0.304 174.455 174.700 0.100 0.000 1.064 17 T CA -0.900 61.227 62.100 0.046 0.000 1.011 17 T CB 0.872 69.762 68.868 0.036 0.000 1.152 17 T HN 0.150 nan 8.240 nan 0.000 0.510 18 F N 3.304 123.261 119.950 0.011 0.000 2.571 18 F HA 0.259 4.786 4.527 -0.000 0.000 0.390 18 F C 1.457 177.292 175.800 0.060 0.000 1.043 18 F CA -0.208 57.814 58.000 0.037 0.000 1.164 18 F CB -0.586 38.439 39.000 0.042 0.000 1.049 18 F HN 0.774 nan 8.300 nan 0.000 0.552 19 M N 5.370 124.675 119.600 -0.492 0.000 2.612 19 M HA -0.387 4.093 4.480 -0.000 0.000 0.194 19 M C 0.745 177.017 176.300 -0.046 0.000 0.530 19 M CA 1.086 56.216 55.300 -0.283 0.000 0.548 19 M CB -1.365 31.088 32.600 -0.245 0.000 2.013 19 M HN 0.779 nan 8.290 nan 0.000 0.711 20 R N -1.958 118.518 120.500 -0.040 0.000 3.758 20 R HA -0.172 4.167 4.340 -0.000 0.000 0.299 20 R C -0.206 176.068 176.300 -0.043 0.000 1.182 20 R CA 0.748 56.839 56.100 -0.014 0.000 0.809 20 R CB -2.082 28.223 30.300 0.008 0.000 1.249 20 R HN 0.553 nan 8.270 nan 0.000 0.497 21 L N 0.653 121.831 121.223 -0.076 0.000 2.472 21 L HA 0.224 4.564 4.340 -0.000 0.000 0.260 21 L C -1.501 175.331 176.870 -0.063 0.000 1.209 21 L CA -1.691 53.050 54.840 -0.165 0.000 0.817 21 L CB 0.156 42.097 42.059 -0.196 0.000 1.106 21 L HN -0.186 nan 8.230 nan 0.000 0.479 22 P HA 0.041 nan 4.420 nan 0.000 0.270 22 P C -1.291 176.032 177.300 0.039 0.000 1.223 22 P CA -0.013 63.087 63.100 0.001 0.000 0.785 22 P CB 0.401 32.106 31.700 0.008 0.000 0.923 23 H N 1.148 120.196 119.070 -0.035 0.000 2.457 23 H HA 0.537 5.093 4.556 -0.000 0.000 0.335 23 H C -1.183 174.126 175.328 -0.031 0.000 1.115 23 H CA -0.262 55.765 56.048 -0.035 0.000 1.219 23 H CB 0.691 30.445 29.762 -0.013 0.000 1.471 23 H HN 0.145 nan 8.280 nan 0.000 0.491 24 D N 6.194 126.231 120.400 -0.604 0.000 2.354 24 D HA 0.105 4.745 4.640 -0.000 0.000 0.230 24 D C -2.234 173.812 176.300 -0.423 0.000 1.361 24 D CA -1.483 52.244 54.000 -0.456 0.000 0.992 24 D CB 1.893 42.569 40.800 -0.205 0.000 1.409 24 D HN 0.383 nan 8.370 nan 0.000 0.573 25 P HA -0.073 nan 4.420 nan 0.000 0.222 25 P C 0.370 177.627 177.300 -0.072 0.000 1.147 25 P CA 1.019 64.021 63.100 -0.163 0.000 0.790 25 P CB 0.349 31.998 31.700 -0.085 0.000 0.780 26 Q N 0.768 120.519 119.800 -0.082 0.000 2.943 26 Q HA 0.394 4.734 4.340 -0.000 0.000 0.327 26 Q C -2.504 173.492 176.000 -0.007 0.000 0.937 26 Q CA -1.872 53.906 55.803 -0.042 0.000 0.914 26 Q CB -0.134 28.582 28.738 -0.037 0.000 1.339 26 Q HN 0.310 nan 8.270 nan 0.000 0.417 27 P HA 0.587 nan 4.420 nan 0.000 0.271 27 P C -0.302 177.109 177.300 0.185 0.000 1.216 27 P CA 0.308 63.459 63.100 0.086 0.000 0.776 27 P CB 0.937 32.575 31.700 -0.103 0.000 0.881 28 R N 0.468 121.155 120.500 0.312 0.000 2.522 28 R HA 0.600 4.940 4.340 -0.000 0.000 0.283 28 R C 0.631 176.983 176.300 0.086 0.000 1.074 28 R CA -0.138 56.062 56.100 0.168 0.000 0.925 28 R CB 0.366 30.709 30.300 0.072 0.000 1.205 28 R HN 0.843 nan 8.270 nan 0.000 0.436 29 G N 0.182 109.015 108.800 0.056 0.000 2.157 29 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.239 29 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.239 29 G C -0.164 174.654 174.900 -0.135 0.000 0.982 29 G CA 0.423 45.476 45.100 -0.080 0.000 0.650 29 G HN 0.908 nan 8.290 nan 0.000 0.527 30 Y N 0.627 120.946 120.300 0.031 0.000 2.374 30 Y HA 0.506 5.056 4.550 -0.000 0.000 0.322 30 Y C 1.491 177.421 175.900 0.050 0.000 1.275 30 Y CA -0.409 57.715 58.100 0.041 0.000 1.307 30 Y CB 0.708 39.191 38.460 0.037 0.000 1.282 30 Y HN -0.023 nan 8.280 nan 0.000 0.509 31 D N 0.070 120.614 120.400 0.240 0.000 2.120 31 D HA 0.016 4.655 4.640 -0.000 0.000 0.202 31 D C -0.408 175.921 176.300 0.047 0.000 0.972 31 D CA 1.416 55.521 54.000 0.175 0.000 0.837 31 D CB 0.275 41.223 40.800 0.246 0.000 0.989 31 D HN 0.138 nan 8.370 nan 0.000 0.469 32 V N 1.615 121.559 119.914 0.050 0.000 2.623 32 V HA 0.272 4.391 4.120 -0.000 0.000 0.304 32 V C -0.200 175.926 176.094 0.052 0.000 1.054 32 V CA -0.822 61.459 62.300 -0.033 0.000 0.882 32 V CB 2.655 34.408 31.823 -0.117 0.000 1.002 32 V HN -0.225 nan 8.190 nan 0.000 0.424 33 V N 5.064 125.019 119.914 0.068 0.000 2.398 33 V HA 0.430 4.550 4.120 -0.000 0.000 0.286 33 V C -0.002 176.129 176.094 0.063 0.000 1.026 33 V CA -0.664 61.652 62.300 0.026 0.000 0.868 33 V CB 1.923 33.772 31.823 0.044 0.000 0.982 33 V HN 0.628 nan 8.190 nan 0.000 0.443 34 V N 6.477 126.393 119.914 0.003 0.000 2.406 34 V HA 0.427 4.547 4.120 -0.000 0.000 0.272 34 V C -0.176 175.883 176.094 -0.059 0.000 1.043 34 V CA -0.197 62.076 62.300 -0.045 0.000 0.915 34 V CB 1.200 32.971 31.823 -0.087 0.000 0.988 34 V HN 0.698 nan 8.190 nan 0.000 0.466 35 I N 4.271 124.788 120.570 -0.088 0.000 2.465 35 I HA 0.803 4.972 4.170 -0.000 0.000 0.291 35 I C 0.473 176.494 176.117 -0.161 0.000 1.014 35 I CA 0.046 61.265 61.300 -0.136 0.000 1.093 35 I CB 1.806 39.678 38.000 -0.213 0.000 1.267 35 I HN 0.618 nan 8.210 nan 0.000 0.431 36 G N 5.448 114.160 108.800 -0.146 0.000 2.377 36 G HA2 0.646 4.606 3.960 -0.000 0.000 0.299 36 G HA3 0.646 4.606 3.960 -0.000 0.000 0.299 36 G C -0.987 173.817 174.900 -0.160 0.000 1.150 36 G CA -0.363 44.662 45.100 -0.124 0.000 0.847 36 G HN 0.950 nan 8.290 nan 0.000 0.501 37 A N 3.799 126.547 122.820 -0.120 0.000 2.978 37 A HA 0.628 4.948 4.320 -0.000 0.000 0.341 37 A C -2.342 175.212 177.584 -0.050 0.000 1.105 37 A CA -1.319 50.648 52.037 -0.117 0.000 0.819 37 A CB 1.156 20.088 19.000 -0.112 0.000 1.080 37 A HN 0.458 nan 8.150 nan 0.000 0.476 38 P HA 0.170 nan 4.420 nan 0.000 0.256 38 P C -1.185 176.091 177.300 -0.039 0.000 1.688 38 P CA 0.470 63.524 63.100 -0.077 0.000 1.162 38 P CB -0.595 31.040 31.700 -0.108 0.000 1.870 39 Y N 2.805 123.001 120.300 -0.173 0.000 2.482 39 Y HA 0.352 4.902 4.550 -0.000 0.000 0.334 39 Y C -0.894 174.927 175.900 -0.131 0.000 1.091 39 Y CA -0.853 57.144 58.100 -0.172 0.000 1.027 39 Y CB 1.968 40.336 38.460 -0.153 0.000 1.306 39 Y HN 0.107 nan 8.280 nan 0.000 0.446 40 D N 1.235 121.155 120.400 -0.800 0.000 2.594 40 D HA 0.194 4.834 4.640 -0.000 0.000 0.256 40 D C 1.384 177.210 176.300 -0.790 0.000 1.393 40 D CA 0.315 53.944 54.000 -0.618 0.000 0.797 40 D CB 0.297 40.909 40.800 -0.314 0.000 1.110 40 D HN 0.749 nan 8.370 nan 0.000 0.495 41 G N 0.499 108.373 108.800 -1.543 0.000 2.527 41 G HA2 -0.066 3.893 3.960 -0.000 0.000 0.219 41 G HA3 -0.066 3.893 3.960 -0.000 0.000 0.219 41 G C 1.308 176.008 174.900 -0.333 0.000 1.117 41 G CA 0.568 45.182 45.100 -0.810 0.000 0.759 41 G HN 0.435 nan 8.290 nan 0.000 0.556 42 G N -0.032 108.585 108.800 -0.305 0.000 2.986 42 G HA2 0.220 4.180 3.960 -0.000 0.000 0.213 42 G HA3 0.220 4.180 3.960 -0.000 0.000 0.213 42 G C 0.926 175.613 174.900 -0.355 0.000 1.156 42 G CA 0.587 45.639 45.100 -0.081 0.000 0.763 42 G HN 0.520 nan 8.290 nan 0.000 0.547 43 T N -0.290 113.983 114.554 -0.469 0.000 2.888 43 T HA 0.326 4.676 4.350 -0.000 0.000 0.301 43 T C 1.455 175.900 174.700 -0.425 0.000 1.001 43 T CA 0.412 62.096 62.100 -0.693 0.000 1.147 43 T CB 1.637 70.323 68.868 -0.303 0.000 0.931 43 T HN 0.164 nan 8.240 nan 0.000 0.541 44 S N 1.583 117.069 115.700 -0.357 0.000 2.503 44 S HA 0.120 4.590 4.470 -0.000 0.000 0.215 44 S C 0.819 175.508 174.600 0.148 0.000 1.003 44 S CA -0.433 57.781 58.200 0.023 0.000 0.910 44 S CB -0.456 62.864 63.200 0.201 0.000 0.790 44 S HN 0.806 nan 8.310 nan 0.000 0.514 45 Y N 1.821 122.111 120.300 -0.017 0.000 2.941 45 Y HA 0.503 5.053 4.550 -0.000 0.000 0.133 45 Y C -0.004 175.878 175.900 -0.029 0.000 0.874 45 Y CA -0.796 57.297 58.100 -0.010 0.000 1.843 45 Y CB 0.092 38.553 38.460 0.002 0.000 1.233 45 Y HN -0.027 nan 8.280 nan 0.000 0.325 46 R N 2.849 123.350 120.500 0.002 0.000 2.298 46 R HA 0.261 4.601 4.340 -0.000 0.000 0.310 46 R C -2.392 173.896 176.300 -0.020 0.000 1.068 46 R CA -1.632 54.408 56.100 -0.101 0.000 0.957 46 R CB 0.484 30.591 30.300 -0.321 0.000 1.003 46 R HN 0.259 nan 8.270 nan 0.000 0.454 47 P HA 0.258 nan 4.420 nan 0.000 0.306 47 P C 0.238 177.608 177.300 0.117 0.000 1.309 47 P CA -0.154 62.951 63.100 0.008 0.000 0.759 47 P CB 0.969 32.657 31.700 -0.020 0.000 1.314 48 G N -1.821 107.025 108.800 0.076 0.000 2.253 48 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.209 48 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.209 48 G C 1.128 176.106 174.900 0.130 0.000 0.997 48 G CA 0.529 45.742 45.100 0.190 0.000 0.640 48 G HN 0.675 nan 8.290 nan 0.000 0.496 49 A N 1.218 124.060 122.820 0.037 0.000 2.178 49 A HA 0.117 4.437 4.320 -0.000 0.000 0.218 49 A C 2.188 179.738 177.584 -0.056 0.000 1.157 49 A CA 2.115 54.166 52.037 0.023 0.000 0.689 49 A CB -0.560 18.448 19.000 0.012 0.000 0.787 49 A HN 1.014 nan 8.150 nan 0.000 0.465 50 R N -1.783 118.596 120.500 -0.201 0.000 2.241 50 R HA -0.052 4.288 4.340 -0.000 0.000 0.224 50 R C 0.632 176.681 176.300 -0.418 0.000 1.101 50 R CA 1.535 57.422 56.100 -0.355 0.000 0.995 50 R CB -0.504 29.464 30.300 -0.554 0.000 0.870 50 R HN 0.403 nan 8.270 nan 0.000 0.463 51 F N 0.837 120.787 119.950 0.001 0.000 2.727 51 F HA 0.387 4.914 4.527 -0.000 0.000 0.302 51 F C 2.279 178.091 175.800 0.020 0.000 1.097 51 F CA 0.042 58.047 58.000 0.007 0.000 1.330 51 F CB 0.171 39.175 39.000 0.006 0.000 1.084 51 F HN 0.121 nan 8.300 nan 0.000 0.578 52 G N 1.798 110.681 108.800 0.138 0.000 2.491 52 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 52 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 52 G C -0.540 174.417 174.900 0.096 0.000 1.180 52 G CA 0.874 46.041 45.100 0.112 0.000 0.774 52 G HN 0.212 nan 8.290 nan 0.000 0.562 53 P HA -0.132 nan 4.420 nan 0.000 0.216 53 P C 1.853 179.204 177.300 0.084 0.000 1.153 53 P CA 1.668 64.799 63.100 0.051 0.000 0.858 53 P CB -0.071 31.633 31.700 0.007 0.000 0.789 54 Q N -0.548 119.312 119.800 0.100 0.000 2.050 54 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 54 Q C 2.048 178.110 176.000 0.103 0.000 0.980 54 Q CA 1.941 57.808 55.803 0.107 0.000 0.840 54 Q CB -0.684 28.146 28.738 0.153 0.000 0.898 54 Q HN 0.093 nan 8.270 nan 0.000 0.424 55 A N 0.658 123.547 122.820 0.116 0.000 1.898 55 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 55 A C 2.007 179.648 177.584 0.096 0.000 1.181 55 A CA 1.287 53.379 52.037 0.092 0.000 0.620 55 A CB -0.658 18.400 19.000 0.096 0.000 0.819 55 A HN 0.491 nan 8.150 nan 0.000 0.442 56 I N -0.883 119.760 120.570 0.121 0.000 2.226 56 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 56 I C 2.807 179.032 176.117 0.179 0.000 1.100 56 I CA 1.374 62.769 61.300 0.158 0.000 1.374 56 I CB -0.337 37.777 38.000 0.190 0.000 1.057 56 I HN 0.298 nan 8.210 nan 0.000 0.413 57 R N -0.010 120.597 120.500 0.178 0.000 2.081 57 R HA -0.165 4.175 4.340 -0.000 0.000 0.235 57 R C 2.561 178.908 176.300 0.079 0.000 1.131 57 R CA 1.676 57.871 56.100 0.159 0.000 0.960 57 R CB -0.513 29.864 30.300 0.128 0.000 0.856 57 R HN 0.282 nan 8.270 nan 0.000 0.436 58 S N 0.724 116.465 115.700 0.069 0.000 2.359 58 S HA -0.156 4.313 4.470 -0.000 0.000 0.224 58 S C 1.656 176.280 174.600 0.039 0.000 1.035 58 S CA 1.331 59.559 58.200 0.048 0.000 1.018 58 S CB -0.003 63.222 63.200 0.043 0.000 0.876 58 S HN 0.258 nan 8.310 nan 0.000 0.448 59 E N 0.999 121.222 120.200 0.038 0.000 2.371 59 E HA 0.032 4.382 4.350 -0.000 0.000 0.194 59 E C 2.137 178.731 176.600 -0.010 0.000 1.012 59 E CA 0.771 57.184 56.400 0.022 0.000 0.860 59 E CB -0.324 29.393 29.700 0.028 0.000 0.811 59 E HN 0.753 nan 8.360 nan 0.000 0.502 60 S N 0.162 115.842 115.700 -0.033 0.000 2.537 60 S HA -0.055 4.415 4.470 -0.000 0.000 0.240 60 S C 2.011 176.535 174.600 -0.126 0.000 0.981 60 S CA 0.822 58.938 58.200 -0.140 0.000 0.948 60 S CB -0.530 62.493 63.200 -0.295 0.000 0.759 60 S HN 0.247 nan 8.310 nan 0.000 0.531 61 G N 1.760 110.531 108.800 -0.048 0.000 2.448 61 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.219 61 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.219 61 G C 1.247 176.133 174.900 -0.025 0.000 1.127 61 G CA 0.762 45.855 45.100 -0.012 0.000 0.766 61 G HN 0.581 nan 8.290 nan 0.000 0.552 62 L N 0.327 121.507 121.223 -0.071 0.000 2.395 62 L HA 0.197 4.537 4.340 -0.000 0.000 0.218 62 L C 0.285 176.946 176.870 -0.348 0.000 1.130 62 L CA 0.081 54.840 54.840 -0.136 0.000 0.826 62 L CB 0.004 42.014 42.059 -0.082 0.000 0.941 62 L HN 0.068 nan 8.230 nan 0.000 0.451 63 I N -0.300 120.081 120.570 -0.315 0.000 2.339 63 I HA 0.272 4.442 4.170 -0.000 0.000 0.290 63 I C 0.118 176.050 176.117 -0.310 0.000 0.994 63 I CA -0.387 60.692 61.300 -0.370 0.000 1.191 63 I CB 0.687 38.547 38.000 -0.233 0.000 1.343 63 I HN 0.029 nan 8.210 nan 0.000 0.458 64 H N 3.907 122.942 119.070 -0.057 0.000 2.669 64 H HA 0.456 5.012 4.556 -0.000 0.000 0.318 64 H C 1.049 176.303 175.328 -0.123 0.000 1.429 64 H CA -0.679 55.352 56.048 -0.029 0.000 1.460 64 H CB 0.640 30.391 29.762 -0.019 0.000 1.784 64 H HN 0.648 nan 8.280 nan 0.000 0.750 65 G N -0.118 108.650 108.800 -0.052 0.000 2.744 65 G HA2 0.055 4.015 3.960 -0.000 0.000 0.211 65 G HA3 0.055 4.015 3.960 -0.000 0.000 0.211 65 G C 0.125 174.896 174.900 -0.214 0.000 1.146 65 G CA -0.036 44.817 45.100 -0.411 0.000 0.787 65 G HN 0.290 nan 8.290 nan 0.000 0.534 66 V N 2.352 122.224 119.914 -0.071 0.000 2.381 66 V HA 0.419 4.538 4.120 -0.000 0.000 0.257 66 V C 1.468 177.508 176.094 -0.090 0.000 1.057 66 V CA -0.137 62.126 62.300 -0.061 0.000 1.013 66 V CB 0.062 31.880 31.823 -0.008 0.000 1.069 66 V HN 0.235 nan 8.190 nan 0.000 0.484 67 G N 5.092 113.781 108.800 -0.185 0.000 2.608 67 G HA2 0.424 4.384 3.960 -0.000 0.000 0.212 67 G HA3 0.424 4.384 3.960 -0.000 0.000 0.212 67 G C -0.117 174.707 174.900 -0.127 0.000 1.572 67 G CA -0.514 44.463 45.100 -0.205 0.000 1.064 67 G HN 0.563 nan 8.290 nan 0.000 0.556 68 I N -0.032 120.461 120.570 -0.128 0.000 2.447 68 I HA 0.241 4.411 4.170 -0.000 0.000 0.287 68 I C -0.756 175.317 176.117 -0.074 0.000 1.023 68 I CA -0.345 60.908 61.300 -0.078 0.000 1.083 68 I CB 2.105 40.070 38.000 -0.059 0.000 1.245 68 I HN 0.418 nan 8.210 nan 0.000 0.434 69 D N 2.360 122.730 120.400 -0.050 0.000 3.012 69 D HA -0.201 4.439 4.640 -0.000 0.000 0.222 69 D C 0.495 176.772 176.300 -0.039 0.000 1.167 69 D CA 1.389 55.368 54.000 -0.034 0.000 0.854 69 D CB -0.958 39.826 40.800 -0.027 0.000 1.107 69 D HN 0.754 nan 8.370 nan 0.000 0.421 70 R N 0.560 121.018 120.500 -0.069 0.000 2.603 70 R HA 0.835 5.174 4.340 -0.000 0.000 0.225 70 R C 1.443 177.742 176.300 -0.002 0.000 1.300 70 R CA 0.190 56.247 56.100 -0.072 0.000 1.075 70 R CB -0.528 29.611 30.300 -0.269 0.000 1.663 70 R HN 0.115 nan 8.270 nan 0.000 0.546 71 G N -0.466 108.377 108.800 0.071 0.000 2.608 71 G HA2 0.273 4.233 3.960 -0.000 0.000 0.212 71 G HA3 0.273 4.233 3.960 -0.000 0.000 0.212 71 G C -1.245 173.689 174.900 0.056 0.000 1.572 71 G CA 0.367 45.517 45.100 0.084 0.000 1.064 71 G HN 0.553 nan 8.290 nan 0.000 0.556 72 P HA 0.231 nan 4.420 nan 0.000 0.233 72 P C 0.346 177.678 177.300 0.054 0.000 1.167 72 P CA 1.301 64.435 63.100 0.056 0.000 0.770 72 P CB 0.226 31.965 31.700 0.064 0.000 0.837 73 G N -1.672 107.168 108.800 0.066 0.000 3.069 73 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.686 73 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.686 73 G C 0.703 175.640 174.900 0.062 0.000 1.161 73 G CA -0.333 44.782 45.100 0.026 0.000 0.804 73 G HN -0.074 nan 8.290 nan 0.000 0.608 74 T N 2.009 116.568 114.554 0.007 0.000 2.649 74 T HA -0.234 4.116 4.350 -0.000 0.000 0.268 74 T C 1.994 176.733 174.700 0.065 0.000 1.036 74 T CA 2.590 64.694 62.100 0.006 0.000 1.157 74 T CB -0.260 68.465 68.868 -0.238 0.000 0.861 74 T HN 0.506 nan 8.240 nan 0.000 0.445 75 F N 1.425 121.463 119.950 0.147 0.000 2.771 75 F HA 0.113 4.640 4.527 -0.000 0.000 0.299 75 F C 1.842 177.708 175.800 0.110 0.000 1.177 75 F CA -0.399 57.678 58.000 0.128 0.000 1.450 75 F CB -0.472 38.593 39.000 0.108 0.000 1.114 75 F HN 0.183 nan 8.300 nan 0.000 0.587 76 D N -0.821 119.725 120.400 0.244 0.000 2.389 76 D HA 0.142 4.782 4.640 -0.000 0.000 0.206 76 D C 2.226 178.615 176.300 0.148 0.000 1.055 76 D CA 0.425 54.527 54.000 0.170 0.000 0.856 76 D CB 0.419 41.293 40.800 0.123 0.000 0.957 76 D HN 0.280 nan 8.370 nan 0.000 0.509 77 L N 0.410 121.732 121.223 0.164 0.000 2.253 77 L HA 0.242 4.582 4.340 -0.000 0.000 0.205 77 L C 1.145 178.115 176.870 0.167 0.000 1.078 77 L CA 0.534 55.458 54.840 0.140 0.000 0.805 77 L CB 0.117 42.248 42.059 0.120 0.000 0.963 77 L HN -0.062 nan 8.230 nan 0.000 0.459 78 I N -3.763 116.943 120.570 0.227 0.000 3.074 78 I HA 0.381 4.550 4.170 -0.000 0.000 0.310 78 I C -1.294 174.989 176.117 0.277 0.000 1.153 78 I CA -0.896 60.557 61.300 0.255 0.000 0.993 78 I CB 2.130 40.323 38.000 0.322 0.000 1.237 78 I HN -0.095 nan 8.210 nan 0.000 0.443 79 N N 2.635 121.483 118.700 0.247 0.000 2.457 79 N HA 0.566 5.306 4.740 -0.000 0.000 0.250 79 N C -1.193 174.528 175.510 0.351 0.000 0.982 79 N CA -0.476 52.734 53.050 0.267 0.000 0.941 79 N CB 1.350 39.941 38.487 0.173 0.000 1.120 79 N HN 0.524 nan 8.380 nan 0.000 0.505 80 C N 1.533 120.986 119.300 0.255 0.000 2.719 80 C HA 0.806 5.266 4.460 -0.000 0.000 0.327 80 C C -0.042 174.892 174.990 -0.094 0.000 1.238 80 C CA -0.763 58.324 59.018 0.115 0.000 1.727 80 C CB 1.536 29.368 27.740 0.154 0.000 2.256 80 C HN 0.476 nan 8.230 nan 0.000 0.489 81 V N 0.572 120.345 119.914 -0.235 0.000 3.204 81 V HA 0.498 4.618 4.120 -0.000 0.000 0.298 81 V C -1.906 174.086 176.094 -0.170 0.000 1.328 81 V CA -0.241 61.858 62.300 -0.335 0.000 1.035 81 V CB 2.234 33.541 31.823 -0.859 0.000 1.095 81 V HN 0.957 nan 8.190 nan 0.000 0.442 82 D N 3.658 124.017 120.400 -0.068 0.000 2.359 82 D HA 0.532 5.172 4.640 -0.000 0.000 0.230 82 D C 0.478 176.823 176.300 0.075 0.000 1.118 82 D CA 0.272 54.301 54.000 0.048 0.000 0.844 82 D CB 1.925 42.805 40.800 0.134 0.000 1.059 82 D HN 0.790 nan 8.370 nan 0.000 0.493 83 A N 3.084 125.912 122.820 0.015 0.000 2.302 83 A HA 0.511 4.831 4.320 -0.000 0.000 0.219 83 A C 1.253 178.907 177.584 0.117 0.000 1.243 83 A CA 0.634 52.676 52.037 0.008 0.000 0.856 83 A CB -0.595 18.401 19.000 -0.007 0.000 0.893 83 A HN 0.876 nan 8.150 nan 0.000 0.491 84 G N -0.335 108.582 108.800 0.195 0.000 2.553 84 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.242 84 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.242 84 G C -0.839 174.067 174.900 0.010 0.000 1.277 84 G CA 0.043 45.236 45.100 0.155 0.000 0.910 84 G HN 0.406 nan 8.290 nan 0.000 0.576 85 D N -0.322 120.064 120.400 -0.024 0.000 2.374 85 D HA 0.639 5.279 4.640 -0.000 0.000 0.239 85 D C 0.361 176.535 176.300 -0.211 0.000 0.991 85 D CA -0.443 53.485 54.000 -0.120 0.000 0.960 85 D CB 1.464 42.211 40.800 -0.087 0.000 1.284 85 D HN 0.520 nan 8.370 nan 0.000 0.512 86 I N 1.411 121.777 120.570 -0.340 0.000 2.395 86 I HA 0.070 4.240 4.170 -0.000 0.000 0.289 86 I C 0.543 176.553 176.117 -0.178 0.000 1.023 86 I CA -0.474 60.572 61.300 -0.423 0.000 1.350 86 I CB 0.465 38.167 38.000 -0.496 0.000 1.409 86 I HN -0.049 nan 8.210 nan 0.000 0.507 87 N N 7.924 126.577 118.700 -0.079 0.000 2.549 87 N HA 0.214 4.953 4.740 -0.000 0.000 0.267 87 N C -0.785 174.670 175.510 -0.091 0.000 1.182 87 N CA 0.120 53.133 53.050 -0.061 0.000 1.019 87 N CB 0.312 38.789 38.487 -0.016 0.000 1.380 87 N HN 0.386 nan 8.380 nan 0.000 0.505 88 L N 1.085 122.235 121.223 -0.122 0.000 2.264 88 L HA 0.227 4.567 4.340 -0.000 0.000 0.289 88 L C 1.220 178.025 176.870 -0.109 0.000 1.044 88 L CA -0.506 54.240 54.840 -0.157 0.000 0.807 88 L CB 1.394 43.327 42.059 -0.210 0.000 1.192 88 L HN 0.182 nan 8.230 nan 0.000 0.425 89 T N 3.970 118.457 114.554 -0.111 0.000 2.919 89 T HA 0.214 4.564 4.350 -0.000 0.000 0.302 89 T C -1.444 173.188 174.700 -0.114 0.000 1.031 89 T CA -1.110 60.914 62.100 -0.126 0.000 1.127 89 T CB 0.907 69.750 68.868 -0.042 0.000 0.952 89 T HN 0.492 nan 8.240 nan 0.000 0.540 90 P HA 0.201 nan 4.420 nan 0.000 0.261 90 P C 0.421 177.521 177.300 -0.334 0.000 1.268 90 P CA 0.137 63.002 63.100 -0.392 0.000 0.833 90 P CB 0.114 31.456 31.700 -0.598 0.000 1.231 91 F N -0.149 119.832 119.950 0.051 0.000 2.717 91 F HA 0.299 4.825 4.527 -0.000 0.000 0.295 91 F C 0.845 176.669 175.800 0.039 0.000 1.117 91 F CA -0.310 57.709 58.000 0.031 0.000 1.361 91 F CB 0.155 39.165 39.000 0.016 0.000 1.112 91 F HN -0.094 nan 8.300 nan 0.000 0.594 92 D N 0.370 120.885 120.400 0.192 0.000 2.478 92 D HA 0.101 4.741 4.640 -0.000 0.000 0.240 92 D C 0.903 177.265 176.300 0.102 0.000 1.364 92 D CA -0.020 54.058 54.000 0.130 0.000 0.987 92 D CB 1.150 42.010 40.800 0.100 0.000 1.328 92 D HN 0.089 nan 8.370 nan 0.000 0.584 93 M N 4.001 123.682 119.600 0.135 0.000 2.110 93 M HA -0.288 4.192 4.480 -0.000 0.000 0.257 93 M C 0.767 177.087 176.300 0.034 0.000 1.071 93 M CA 2.115 57.510 55.300 0.158 0.000 1.096 93 M CB -0.071 32.639 32.600 0.183 0.000 1.300 93 M HN 0.252 nan 8.290 nan 0.000 0.411 94 N N 0.444 119.189 118.700 0.075 0.000 2.120 94 N HA -0.095 4.645 4.740 -0.000 0.000 0.188 94 N C 1.579 177.043 175.510 -0.077 0.000 1.024 94 N CA 1.812 54.890 53.050 0.047 0.000 0.852 94 N CB -0.396 38.154 38.487 0.105 0.000 1.003 94 N HN 0.453 nan 8.380 nan 0.000 0.424 95 I N 0.159 120.696 120.570 -0.056 0.000 2.315 95 I HA -0.199 3.970 4.170 -0.000 0.000 0.248 95 I C 2.167 178.187 176.117 -0.162 0.000 1.117 95 I CA 0.782 62.034 61.300 -0.080 0.000 1.404 95 I CB -0.296 37.686 38.000 -0.030 0.000 1.071 95 I HN 0.144 nan 8.210 nan 0.000 0.419 96 A N 1.234 123.916 122.820 -0.230 0.000 1.898 96 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 96 A C 2.224 179.526 177.584 -0.470 0.000 1.181 96 A CA 1.237 53.028 52.037 -0.409 0.000 0.620 96 A CB -0.513 18.051 19.000 -0.726 0.000 0.819 96 A HN 0.273 nan 8.150 nan 0.000 0.442 97 I N 0.647 120.921 120.570 -0.494 0.000 2.226 97 I HA -0.197 3.973 4.170 -0.000 0.000 0.245 97 I C 1.729 177.612 176.117 -0.390 0.000 1.100 97 I CA 1.539 62.514 61.300 -0.541 0.000 1.374 97 I CB -1.460 36.010 38.000 -0.883 0.000 1.057 97 I HN 0.302 nan 8.210 nan 0.000 0.413 98 D N 0.530 120.750 120.400 -0.299 0.000 2.117 98 D HA -0.119 4.521 4.640 -0.000 0.000 0.198 98 D C 2.160 178.363 176.300 -0.162 0.000 0.982 98 D CA 1.514 55.395 54.000 -0.198 0.000 0.828 98 D CB -0.201 40.519 40.800 -0.134 0.000 0.967 98 D HN 0.268 nan 8.370 nan 0.000 0.464 99 T N 0.942 115.397 114.554 -0.166 0.000 2.746 99 T HA -0.112 4.238 4.350 -0.000 0.000 0.267 99 T C 2.030 176.657 174.700 -0.122 0.000 1.039 99 T CA 1.430 63.456 62.100 -0.123 0.000 1.142 99 T CB -0.227 68.565 68.868 -0.126 0.000 0.866 99 T HN 0.185 nan 8.240 nan 0.000 0.444 100 A N 1.270 123.968 122.820 -0.203 0.000 1.877 100 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 100 A C 2.301 179.791 177.584 -0.157 0.000 1.186 100 A CA 1.911 53.821 52.037 -0.212 0.000 0.620 100 A CB -0.840 17.986 19.000 -0.290 0.000 0.822 100 A HN 0.544 nan 8.150 nan 0.000 0.443 101 Q N -0.375 119.326 119.800 -0.164 0.000 2.030 101 Q HA -0.209 4.131 4.340 -0.000 0.000 0.204 101 Q C 2.372 178.331 176.000 -0.068 0.000 0.986 101 Q CA 2.202 57.934 55.803 -0.119 0.000 0.843 101 Q CB -0.273 28.386 28.738 -0.132 0.000 0.904 101 Q HN 0.644 nan 8.270 nan 0.000 0.420 102 S N -0.848 114.813 115.700 -0.066 0.000 2.359 102 S HA -0.269 4.201 4.470 -0.000 0.000 0.224 102 S C 1.799 176.382 174.600 -0.028 0.000 1.035 102 S CA 1.855 60.027 58.200 -0.047 0.000 1.018 102 S CB -0.470 62.697 63.200 -0.055 0.000 0.876 102 S HN 0.680 nan 8.310 nan 0.000 0.448 103 H N 0.244 119.248 119.070 -0.110 0.000 2.321 103 H HA 0.089 4.645 4.556 -0.000 0.000 0.300 103 H C 2.078 177.333 175.328 -0.123 0.000 1.087 103 H CA 1.902 57.882 56.048 -0.112 0.000 1.319 103 H CB -0.164 29.517 29.762 -0.136 0.000 1.379 103 H HN 0.342 nan 8.280 nan 0.000 0.501 104 L N -0.611 120.630 121.223 0.030 0.000 2.083 104 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 104 L C 2.638 179.555 176.870 0.078 0.000 1.083 104 L CA 1.095 55.884 54.840 -0.085 0.000 0.752 104 L CB -0.356 41.538 42.059 -0.275 0.000 0.899 104 L HN 0.260 nan 8.230 nan 0.000 0.433 105 S N 0.070 115.801 115.700 0.051 0.000 2.368 105 S HA -0.121 4.349 4.470 -0.000 0.000 0.225 105 S C 2.058 176.681 174.600 0.038 0.000 1.030 105 S CA 1.212 59.447 58.200 0.058 0.000 0.999 105 S CB -0.534 62.674 63.200 0.013 0.000 0.844 105 S HN 0.608 nan 8.310 nan 0.000 0.459 106 G N 1.783 110.578 108.800 -0.009 0.000 2.440 106 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.218 106 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.218 106 G C 1.330 176.229 174.900 -0.001 0.000 1.154 106 G CA 0.741 45.815 45.100 -0.043 0.000 0.767 106 G HN 0.439 nan 8.290 nan 0.000 0.552 107 L N -0.112 121.137 121.223 0.044 0.000 2.046 107 L HA -0.017 4.323 4.340 -0.000 0.000 0.208 107 L C 2.831 179.783 176.870 0.135 0.000 1.077 107 L CA 0.644 55.546 54.840 0.103 0.000 0.747 107 L CB -0.380 41.778 42.059 0.164 0.000 0.896 107 L HN 0.185 nan 8.230 nan 0.000 0.432 108 L N 0.161 121.483 121.223 0.165 0.000 2.362 108 L HA -0.176 4.164 4.340 -0.000 0.000 0.219 108 L C 3.068 179.978 176.870 0.068 0.000 1.134 108 L CA 1.037 55.958 54.840 0.136 0.000 0.807 108 L CB -0.808 41.341 42.059 0.150 0.000 0.927 108 L HN 0.267 nan 8.230 nan 0.000 0.447 109 K N 0.382 120.810 120.400 0.047 0.000 2.283 109 K HA 0.145 4.465 4.320 -0.000 0.000 0.202 109 K C 1.675 178.289 176.600 0.023 0.000 1.048 109 K CA 1.381 57.679 56.287 0.019 0.000 0.948 109 K CB -0.436 32.066 32.500 0.003 0.000 0.742 109 K HN 0.451 nan 8.250 nan 0.000 0.458 110 A N -0.160 122.685 122.820 0.042 0.000 2.600 110 A HA 0.308 4.628 4.320 -0.000 0.000 0.252 110 A C -0.013 177.618 177.584 0.078 0.000 1.200 110 A CA -0.339 51.726 52.037 0.048 0.000 0.981 110 A CB 0.451 19.477 19.000 0.044 0.000 1.207 110 A HN 0.375 nan 8.150 nan 0.000 0.577 111 N N -1.256 117.501 118.700 0.094 0.000 2.329 111 N HA 0.463 5.203 4.740 -0.000 0.000 0.282 111 N C 0.824 176.393 175.510 0.098 0.000 1.198 111 N CA 0.248 53.371 53.050 0.122 0.000 0.790 111 N CB 1.964 40.548 38.487 0.163 0.000 1.579 111 N HN 0.016 nan 8.380 nan 0.000 0.475 112 A N 0.964 123.840 122.820 0.094 0.000 1.858 112 A HA 0.289 4.608 4.320 -0.000 0.000 0.216 112 A C 0.779 178.395 177.584 0.053 0.000 1.190 112 A CA 2.155 54.244 52.037 0.086 0.000 0.617 112 A CB -0.224 18.850 19.000 0.123 0.000 0.827 112 A HN 0.808 nan 8.150 nan 0.000 0.443 113 A N -2.670 120.137 122.820 -0.022 0.000 2.581 113 A HA 0.666 4.985 4.320 -0.000 0.000 0.290 113 A C -0.889 176.636 177.584 -0.098 0.000 1.119 113 A CA -0.200 51.727 52.037 -0.183 0.000 0.670 113 A CB 0.324 19.122 19.000 -0.338 0.000 1.280 113 A HN 1.229 nan 8.150 nan 0.000 0.425 114 F N -1.556 118.359 119.950 -0.059 0.000 2.629 114 F HA 0.854 5.381 4.527 -0.000 0.000 0.316 114 F C -1.279 174.554 175.800 0.054 0.000 1.081 114 F CA -1.848 56.149 58.000 -0.005 0.000 0.954 114 F CB 1.542 40.557 39.000 0.024 0.000 1.337 114 F HN 0.538 nan 8.300 nan 0.000 0.474 115 L N 3.713 125.208 121.223 0.453 0.000 2.345 115 L HA 0.557 4.897 4.340 -0.000 0.000 0.274 115 L C -1.060 175.932 176.870 0.203 0.000 0.999 115 L CA -0.886 54.177 54.840 0.372 0.000 0.849 115 L CB 1.499 43.648 42.059 0.151 0.000 1.220 115 L HN 0.919 nan 8.230 nan 0.000 0.422 116 M N 5.627 125.382 119.600 0.259 0.000 2.120 116 M HA 0.450 4.930 4.480 -0.000 0.000 0.354 116 M C -1.238 175.058 176.300 -0.007 0.000 1.287 116 M CA -0.256 55.076 55.300 0.053 0.000 1.103 116 M CB 0.511 33.145 32.600 0.056 0.000 1.623 116 M HN 0.475 nan 8.290 nan 0.000 0.471 117 I N 5.497 126.010 120.570 -0.095 0.000 2.307 117 I HA 0.480 4.649 4.170 -0.000 0.000 0.289 117 I C 0.555 176.640 176.117 -0.053 0.000 1.021 117 I CA -0.051 61.188 61.300 -0.102 0.000 1.224 117 I CB 0.092 37.983 38.000 -0.181 0.000 1.376 117 I HN 0.905 nan 8.210 nan 0.000 0.470 118 G N 4.182 112.973 108.800 -0.014 0.000 3.247 118 G HA2 0.731 4.691 3.960 -0.000 0.000 0.199 118 G HA3 0.731 4.691 3.960 -0.000 0.000 0.199 118 G C -0.014 174.897 174.900 0.019 0.000 1.172 118 G CA -0.004 45.094 45.100 -0.003 0.000 0.844 118 G HN 0.600 nan 8.290 nan 0.000 0.619 119 G N -0.697 108.126 108.800 0.039 0.000 3.019 119 G HA2 0.463 4.423 3.960 -0.000 0.000 0.152 119 G HA3 0.463 4.423 3.960 -0.000 0.000 0.152 119 G C -0.350 174.597 174.900 0.077 0.000 1.320 119 G CA 0.414 45.539 45.100 0.041 0.000 1.013 119 G HN 0.867 nan 8.290 nan 0.000 0.593 120 D N -2.469 117.985 120.400 0.090 0.000 2.378 120 D HA 0.022 4.662 4.640 -0.000 0.000 0.238 120 D C 0.898 177.353 176.300 0.259 0.000 1.180 120 D CA -0.069 54.034 54.000 0.172 0.000 0.895 120 D CB 0.615 41.489 40.800 0.124 0.000 1.192 120 D HN 0.528 nan 8.370 nan 0.000 0.438 121 H N -0.618 118.591 119.070 0.232 0.000 2.518 121 H HA -0.138 4.417 4.556 -0.000 0.000 0.289 121 H C 1.903 177.315 175.328 0.139 0.000 1.051 121 H CA 0.766 56.934 56.048 0.199 0.000 1.280 121 H CB 0.338 30.241 29.762 0.236 0.000 1.380 121 H HN 0.547 nan 8.280 nan 0.000 0.566 122 S N 0.274 116.156 115.700 0.303 0.000 2.400 122 S HA -0.171 4.299 4.470 -0.000 0.000 0.232 122 S C 1.995 176.631 174.600 0.060 0.000 1.025 122 S CA 0.947 59.252 58.200 0.175 0.000 0.993 122 S CB -0.581 62.755 63.200 0.226 0.000 0.808 122 S HN 0.422 nan 8.310 nan 0.000 0.478 123 L N 1.360 122.632 121.223 0.082 0.000 2.349 123 L HA -0.080 4.260 4.340 -0.000 0.000 0.220 123 L C 2.675 179.509 176.870 -0.061 0.000 1.130 123 L CA 1.337 56.154 54.840 -0.038 0.000 0.791 123 L CB -1.166 40.889 42.059 -0.007 0.000 0.918 123 L HN 0.384 nan 8.230 nan 0.000 0.444 124 T N -1.072 113.478 114.554 -0.007 0.000 2.929 124 T HA -0.166 4.184 4.350 -0.000 0.000 0.271 124 T C 1.929 176.477 174.700 -0.253 0.000 1.085 124 T CA 1.177 63.231 62.100 -0.077 0.000 1.125 124 T CB -0.087 68.741 68.868 -0.067 0.000 0.874 124 T HN 0.223 nan 8.240 nan 0.000 0.494 125 V N 1.349 121.116 119.914 -0.245 0.000 2.515 125 V HA -0.080 4.040 4.120 -0.000 0.000 0.250 125 V C 2.533 178.494 176.094 -0.221 0.000 1.058 125 V CA 1.819 63.978 62.300 -0.235 0.000 1.064 125 V CB -0.855 30.885 31.823 -0.137 0.000 0.675 125 V HN 0.505 nan 8.190 nan 0.000 0.461 126 A N -0.270 122.415 122.820 -0.225 0.000 1.930 126 A HA 0.061 4.380 4.320 -0.000 0.000 0.217 126 A C 2.404 179.909 177.584 -0.132 0.000 1.175 126 A CA 1.850 53.764 52.037 -0.204 0.000 0.627 126 A CB -0.854 18.004 19.000 -0.237 0.000 0.815 126 A HN 0.782 nan 8.150 nan 0.000 0.443 127 A N -0.149 122.606 122.820 -0.109 0.000 1.898 127 A HA 0.009 4.329 4.320 -0.000 0.000 0.216 127 A C 2.141 179.652 177.584 -0.121 0.000 1.181 127 A CA 1.366 53.425 52.037 0.037 0.000 0.620 127 A CB -0.604 18.505 19.000 0.182 0.000 0.819 127 A HN 0.450 nan 8.150 nan 0.000 0.442 128 L N -1.026 119.994 121.223 -0.339 0.000 2.079 128 L HA -0.213 4.126 4.340 -0.000 0.000 0.210 128 L C 2.886 179.659 176.870 -0.161 0.000 1.081 128 L CA 1.510 56.137 54.840 -0.356 0.000 0.752 128 L CB -0.452 41.394 42.059 -0.354 0.000 0.896 128 L HN 0.366 nan 8.230 nan 0.000 0.433 129 R N -0.278 120.149 120.500 -0.122 0.000 2.075 129 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 129 R C 2.459 178.743 176.300 -0.027 0.000 1.126 129 R CA 1.336 57.393 56.100 -0.072 0.000 0.963 129 R CB -0.481 29.769 30.300 -0.083 0.000 0.858 129 R HN 0.349 nan 8.270 nan 0.000 0.435 130 A N 0.559 123.382 122.820 0.004 0.000 1.902 130 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 130 A C 2.330 179.973 177.584 0.097 0.000 1.181 130 A CA 1.401 53.481 52.037 0.071 0.000 0.623 130 A CB -0.471 18.621 19.000 0.153 0.000 0.818 130 A HN 0.119 nan 8.150 nan 0.000 0.443 131 V N -0.230 119.740 119.914 0.093 0.000 2.379 131 V HA -0.172 3.947 4.120 -0.000 0.000 0.245 131 V C 3.021 179.190 176.094 0.124 0.000 1.044 131 V CA 1.734 64.099 62.300 0.107 0.000 1.036 131 V CB -1.215 30.627 31.823 0.031 0.000 0.664 131 V HN 0.592 nan 8.190 nan 0.000 0.453 132 A N 0.213 123.058 122.820 0.042 0.000 1.972 132 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 132 A C 2.305 179.908 177.584 0.032 0.000 1.169 132 A CA 2.088 54.150 52.037 0.041 0.000 0.635 132 A CB -0.712 18.288 19.000 -0.000 0.000 0.810 132 A HN 0.630 nan 8.150 nan 0.000 0.446 133 E N -1.817 118.392 120.200 0.015 0.000 2.265 133 E HA -0.064 4.286 4.350 -0.000 0.000 0.196 133 E C 1.922 178.501 176.600 -0.033 0.000 0.996 133 E CA 2.075 58.471 56.400 -0.006 0.000 0.832 133 E CB -1.117 28.578 29.700 -0.007 0.000 0.756 133 E HN 0.986 nan 8.360 nan 0.000 0.491 134 Q N -1.147 118.622 119.800 -0.052 0.000 2.317 134 Q HA 0.174 4.514 4.340 -0.000 0.000 0.220 134 Q C 1.668 177.415 176.000 -0.422 0.000 0.873 134 Q CA 0.709 56.385 55.803 -0.212 0.000 0.936 134 Q CB -0.079 28.513 28.738 -0.244 0.000 1.105 134 Q HN 0.858 nan 8.270 nan 0.000 0.520 135 H N -2.031 117.034 119.070 -0.007 0.000 3.622 135 H HA 0.431 4.986 4.556 -0.000 0.000 0.259 135 H C 1.036 176.363 175.328 -0.001 0.000 1.145 135 H CA 0.433 56.478 56.048 -0.004 0.000 1.178 135 H CB 1.593 31.353 29.762 -0.004 0.000 1.542 135 H HN 0.639 nan 8.280 nan 0.000 0.586 136 G N 2.017 110.870 108.800 0.089 0.000 2.698 136 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.225 136 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.225 136 G C -2.656 172.279 174.900 0.059 0.000 1.345 136 G CA -1.130 44.003 45.100 0.055 0.000 0.871 136 G HN -0.010 nan 8.290 nan 0.000 0.540 137 P HA 0.276 nan 4.420 nan 0.000 0.261 137 P C 0.159 177.486 177.300 0.045 0.000 1.165 137 P CA 0.376 63.497 63.100 0.036 0.000 0.759 137 P CB 0.193 31.912 31.700 0.031 0.000 0.772 138 L N 2.292 123.541 121.223 0.043 0.000 2.344 138 L HA 0.676 5.015 4.340 -0.000 0.000 0.272 138 L C 0.672 177.581 176.870 0.064 0.000 1.035 138 L CA -1.079 53.793 54.840 0.052 0.000 0.807 138 L CB 1.415 43.506 42.059 0.054 0.000 1.237 138 L HN 0.289 nan 8.230 nan 0.000 0.442 139 A N 2.132 124.991 122.820 0.066 0.000 2.316 139 A HA 0.739 5.058 4.320 -0.000 0.000 0.284 139 A C -0.593 177.059 177.584 0.112 0.000 1.115 139 A CA -0.396 51.684 52.037 0.071 0.000 0.812 139 A CB 1.023 20.053 19.000 0.051 0.000 1.064 139 A HN 0.412 nan 8.150 nan 0.000 0.489 140 V N 2.044 122.032 119.914 0.123 0.000 2.709 140 V HA 0.445 4.565 4.120 -0.000 0.000 0.308 140 V C -0.744 175.431 176.094 0.136 0.000 1.062 140 V CA -0.493 61.913 62.300 0.177 0.000 0.901 140 V CB 1.985 33.946 31.823 0.230 0.000 1.003 140 V HN 0.649 nan 8.190 nan 0.000 0.425 141 V N 4.124 124.133 119.914 0.158 0.000 2.350 141 V HA 0.413 4.532 4.120 -0.000 0.000 0.285 141 V C -0.388 175.811 176.094 0.176 0.000 1.014 141 V CA -0.473 61.899 62.300 0.121 0.000 0.831 141 V CB 1.171 33.052 31.823 0.097 0.000 1.000 141 V HN 0.938 nan 8.190 nan 0.000 0.433 142 H N 6.229 125.278 119.070 -0.035 0.000 2.587 142 H HA 0.582 5.138 4.556 -0.000 0.000 0.325 142 H C -1.342 173.945 175.328 -0.068 0.000 1.012 142 H CA -0.944 55.049 56.048 -0.092 0.000 1.213 142 H CB 1.339 30.816 29.762 -0.475 0.000 1.431 142 H HN 0.502 nan 8.280 nan 0.000 0.492 143 L N 5.904 127.114 121.223 -0.023 0.000 2.265 143 L HA 0.361 4.701 4.340 -0.000 0.000 0.289 143 L C -0.361 176.379 176.870 -0.216 0.000 1.033 143 L CA -0.308 54.433 54.840 -0.164 0.000 0.814 143 L CB 1.257 43.270 42.059 -0.077 0.000 1.203 143 L HN 0.677 nan 8.230 nan 0.000 0.423 144 D N 1.333 121.518 120.400 -0.359 0.000 2.648 144 D HA 0.318 4.958 4.640 -0.000 0.000 0.244 144 D C -0.103 176.044 176.300 -0.256 0.000 1.244 144 D CA -0.315 53.543 54.000 -0.236 0.000 0.772 144 D CB 2.345 42.948 40.800 -0.328 0.000 1.379 144 D HN 0.420 nan 8.370 nan 0.000 0.428 145 A N 1.196 123.860 122.820 -0.261 0.000 2.132 145 A HA 0.134 4.454 4.320 -0.000 0.000 0.213 145 A C 0.122 177.324 177.584 -0.635 0.000 1.154 145 A CA 0.978 52.733 52.037 -0.469 0.000 0.753 145 A CB -0.254 18.402 19.000 -0.573 0.000 0.826 145 A HN 0.526 nan 8.150 nan 0.000 0.469 146 H N -2.566 116.482 119.070 -0.037 0.000 2.622 146 H HA 0.473 5.029 4.556 -0.000 0.000 0.363 146 H C 0.914 176.253 175.328 0.019 0.000 1.151 146 H CA -0.009 56.038 56.048 -0.002 0.000 1.184 146 H CB 1.694 31.469 29.762 0.021 0.000 1.643 146 H HN 0.025 nan 8.280 nan 0.000 0.531 147 S N 0.476 116.265 115.700 0.149 0.000 2.399 147 S HA -0.157 4.313 4.470 -0.000 0.000 0.231 147 S C 0.163 174.907 174.600 0.240 0.000 1.022 147 S CA 1.238 59.522 58.200 0.140 0.000 0.983 147 S CB -0.462 62.809 63.200 0.117 0.000 0.803 147 S HN 0.854 nan 8.310 nan 0.000 0.480 148 D N 0.275 120.817 120.400 0.235 0.000 2.772 148 D HA -0.109 4.531 4.640 -0.000 0.000 0.233 148 D C 0.326 176.737 176.300 0.187 0.000 1.143 148 D CA 1.359 55.492 54.000 0.222 0.000 0.700 148 D CB -1.773 39.220 40.800 0.321 0.000 1.076 148 D HN 0.633 nan 8.370 nan 0.000 0.430 149 T N -3.544 111.086 114.554 0.125 0.000 3.380 149 T HA 0.194 4.544 4.350 -0.000 0.000 0.289 149 T C 0.379 175.012 174.700 -0.111 0.000 1.012 149 T CA -0.774 61.355 62.100 0.050 0.000 0.944 149 T CB 0.413 69.411 68.868 0.217 0.000 1.172 149 T HN -0.050 nan 8.240 nan 0.000 0.502 150 N N 2.994 121.664 118.700 -0.050 0.000 2.483 150 N HA 0.379 5.119 4.740 -0.000 0.000 0.269 150 N C -2.847 172.595 175.510 -0.112 0.000 1.209 150 N CA -1.677 51.358 53.050 -0.024 0.000 0.969 150 N CB 0.775 39.349 38.487 0.146 0.000 1.173 150 N HN 0.167 nan 8.380 nan 0.000 0.475 151 P HA 0.118 nan 4.420 nan 0.000 0.271 151 P C -0.654 176.673 177.300 0.047 0.000 1.218 151 P CA -0.063 62.999 63.100 -0.062 0.000 0.780 151 P CB 0.547 32.258 31.700 0.019 0.000 0.901 152 A N 2.787 125.549 122.820 -0.098 0.000 2.240 152 A HA 0.838 5.158 4.320 -0.000 0.000 0.292 152 A C -0.465 177.153 177.584 0.057 0.000 1.121 152 A CA -0.003 51.933 52.037 -0.168 0.000 0.851 152 A CB -0.015 18.829 19.000 -0.260 0.000 1.167 152 A HN 0.566 nan 8.150 nan 0.000 0.503 153 F N -4.278 115.720 119.950 0.081 0.000 2.773 153 F HA 0.525 5.052 4.527 -0.000 0.000 0.314 153 F C -0.993 174.869 175.800 0.103 0.000 1.160 153 F CA -1.583 56.473 58.000 0.093 0.000 0.920 153 F CB 0.544 39.600 39.000 0.094 0.000 1.323 153 F HN 0.593 nan 8.300 nan 0.000 0.457 154 Y N 2.145 122.638 120.300 0.322 0.000 2.620 154 Y HA 0.402 4.952 4.550 -0.000 0.000 0.330 154 Y C 1.189 177.255 175.900 0.277 0.000 1.186 154 Y CA 1.311 59.529 58.100 0.197 0.000 1.467 154 Y CB 0.681 39.221 38.460 0.133 0.000 1.262 154 Y HN 1.317 nan 8.280 nan 0.000 0.550 155 G N 3.318 111.804 108.800 -0.523 0.000 2.148 155 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.254 155 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.254 155 G C 0.408 175.278 174.900 -0.051 0.000 0.981 155 G CA 0.296 45.187 45.100 -0.348 0.000 0.670 155 G HN 1.803 nan 8.290 nan 0.000 0.528 156 G N -1.014 107.689 108.800 -0.163 0.000 5.374 156 G HA2 0.419 4.378 3.960 -0.000 0.000 0.198 156 G HA3 0.419 4.378 3.960 -0.000 0.000 0.198 156 G C 0.473 174.997 174.900 -0.627 0.000 0.812 156 G CA 0.844 45.691 45.100 -0.421 0.000 0.614 156 G HN 0.451 nan 8.290 nan 0.000 0.357 157 R N -0.340 119.916 120.500 -0.406 0.000 2.148 157 R HA 0.009 4.348 4.340 -0.000 0.000 0.227 157 R C 0.041 175.953 176.300 -0.647 0.000 1.103 157 R CA 0.998 56.775 56.100 -0.538 0.000 0.983 157 R CB 0.062 29.983 30.300 -0.631 0.000 0.874 157 R HN 0.388 nan 8.270 nan 0.000 0.451 158 Y N 0.290 120.503 120.300 -0.143 0.000 2.617 158 Y HA 0.183 4.732 4.550 -0.000 0.000 0.328 158 Y C -0.652 175.205 175.900 -0.072 0.000 0.946 158 Y CA -1.124 56.914 58.100 -0.104 0.000 1.241 158 Y CB -0.141 38.271 38.460 -0.079 0.000 1.226 158 Y HN 0.176 nan 8.280 nan 0.000 0.582 159 H N -3.439 115.643 119.070 0.021 0.000 2.615 159 H HA 0.116 4.672 4.556 -0.000 0.000 0.363 159 H C 1.253 176.715 175.328 0.223 0.000 1.148 159 H CA -0.254 55.840 56.048 0.077 0.000 1.401 159 H CB 0.343 30.129 29.762 0.039 0.000 1.461 159 H HN 0.579 nan 8.280 nan 0.000 0.588 160 H N 0.265 119.462 119.070 0.210 0.000 2.568 160 H HA -0.010 4.546 4.556 -0.000 0.000 0.285 160 H C 1.042 176.472 175.328 0.171 0.000 1.048 160 H CA -0.019 56.133 56.048 0.173 0.000 1.197 160 H CB -0.169 29.704 29.762 0.186 0.000 1.343 160 H HN 0.819 nan 8.280 nan 0.000 0.614 161 G N 0.674 109.687 108.800 0.354 0.000 3.126 161 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.224 161 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.224 161 G C 1.313 176.203 174.900 -0.016 0.000 1.142 161 G CA 0.377 45.594 45.100 0.194 0.000 0.759 161 G HN 0.537 nan 8.290 nan 0.000 0.550 162 T N -2.103 112.311 114.554 -0.233 0.000 2.985 162 T HA 0.223 4.572 4.350 -0.000 0.000 0.254 162 T C 0.142 174.705 174.700 -0.230 0.000 1.021 162 T CA 0.220 62.108 62.100 -0.354 0.000 0.957 162 T CB 0.298 68.808 68.868 -0.597 0.000 1.047 162 T HN 0.076 nan 8.240 nan 0.000 0.511 163 P HA -0.199 nan 4.420 nan 0.000 0.216 163 P C 0.877 177.902 177.300 -0.459 0.000 1.167 163 P CA 1.468 64.382 63.100 -0.311 0.000 0.914 163 P CB -0.361 31.002 31.700 -0.562 0.000 0.793 164 F N -0.915 118.940 119.950 -0.158 0.000 2.661 164 F HA 0.097 4.624 4.527 -0.000 0.000 0.298 164 F C 2.839 178.607 175.800 -0.053 0.000 1.137 164 F CA 0.324 58.257 58.000 -0.113 0.000 1.454 164 F CB -0.728 38.190 39.000 -0.137 0.000 1.103 164 F HN -0.165 nan 8.300 nan 0.000 0.577 165 R N -0.184 120.294 120.500 -0.036 0.000 2.062 165 R HA -0.093 4.247 4.340 -0.000 0.000 0.229 165 R C 2.225 178.449 176.300 -0.126 0.000 1.128 165 R CA 1.525 57.534 56.100 -0.152 0.000 0.960 165 R CB -0.610 29.422 30.300 -0.447 0.000 0.855 165 R HN 0.176 nan 8.270 nan 0.000 0.432 166 H N -0.848 118.174 119.070 -0.080 0.000 2.353 166 H HA 0.005 4.561 4.556 -0.000 0.000 0.300 166 H C 1.898 177.192 175.328 -0.057 0.000 1.090 166 H CA 1.542 57.548 56.048 -0.069 0.000 1.327 166 H CB -0.648 29.075 29.762 -0.064 0.000 1.383 166 H HN 0.492 nan 8.280 nan 0.000 0.508 167 G N 0.854 109.674 108.800 0.033 0.000 2.440 167 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 167 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 167 G C 1.926 176.835 174.900 0.014 0.000 1.154 167 G CA 0.964 46.056 45.100 -0.013 0.000 0.767 167 G HN 0.325 nan 8.290 nan 0.000 0.552 168 I N 0.630 121.215 120.570 0.026 0.000 2.233 168 I HA -0.062 4.108 4.170 -0.000 0.000 0.243 168 I C 2.277 178.369 176.117 -0.042 0.000 1.093 168 I CA 0.984 62.258 61.300 -0.043 0.000 1.380 168 I CB -0.224 37.690 38.000 -0.144 0.000 1.067 168 I HN 0.007 nan 8.210 nan 0.000 0.413 169 D N 1.046 121.457 120.400 0.019 0.000 2.123 169 D HA -0.200 4.440 4.640 -0.000 0.000 0.196 169 D C 1.788 178.116 176.300 0.047 0.000 0.992 169 D CA 1.336 55.367 54.000 0.052 0.000 0.833 169 D CB -0.234 40.616 40.800 0.083 0.000 0.954 169 D HN 0.406 nan 8.370 nan 0.000 0.455 170 E N 0.179 120.406 120.200 0.044 0.000 2.502 170 E HA -0.010 4.340 4.350 -0.000 0.000 0.194 170 E C 0.076 176.686 176.600 0.017 0.000 1.062 170 E CA -0.045 56.373 56.400 0.031 0.000 0.867 170 E CB 0.242 29.957 29.700 0.025 0.000 0.888 170 E HN 0.014 nan 8.360 nan 0.000 0.510 171 K N -0.545 119.864 120.400 0.014 0.000 3.160 171 K HA -0.220 4.100 4.320 -0.000 0.000 0.280 171 K C 0.659 177.264 176.600 0.009 0.000 1.154 171 K CA 0.537 56.831 56.287 0.012 0.000 0.822 171 K CB -2.064 30.446 32.500 0.018 0.000 1.239 171 K HN 0.312 nan 8.250 nan 0.000 0.489 172 L N -0.528 120.696 121.223 0.000 0.000 2.270 172 L HA 0.167 4.506 4.340 -0.000 0.000 0.210 172 L C 1.228 178.099 176.870 0.001 0.000 1.104 172 L CA 0.696 55.529 54.840 -0.010 0.000 0.804 172 L CB 0.053 42.088 42.059 -0.040 0.000 0.937 172 L HN 0.125 nan 8.230 nan 0.000 0.450 173 I N -0.720 119.858 120.570 0.013 0.000 2.603 173 I HA 0.197 4.367 4.170 -0.000 0.000 0.300 173 I C -0.754 175.383 176.117 0.033 0.000 1.017 173 I CA -0.681 60.642 61.300 0.037 0.000 1.098 173 I CB 2.199 40.241 38.000 0.070 0.000 1.279 173 I HN -0.192 nan 8.210 nan 0.000 0.437 174 D N 7.659 128.084 120.400 0.042 0.000 2.467 174 D HA 0.230 4.869 4.640 -0.000 0.000 0.220 174 D C -1.498 174.826 176.300 0.040 0.000 1.103 174 D CA -2.475 51.547 54.000 0.036 0.000 0.886 174 D CB 1.285 42.107 40.800 0.036 0.000 1.025 174 D HN 0.174 nan 8.370 nan 0.000 0.514 175 P HA -0.241 nan 4.420 nan 0.000 0.217 175 P C 1.056 178.379 177.300 0.038 0.000 1.151 175 P CA 1.120 64.241 63.100 0.035 0.000 0.849 175 P CB 0.179 31.899 31.700 0.032 0.000 0.787 176 A N -0.209 122.633 122.820 0.036 0.000 2.172 176 A HA 0.147 4.467 4.320 -0.000 0.000 0.216 176 A C 2.000 179.601 177.584 0.029 0.000 1.154 176 A CA 1.422 53.476 52.037 0.029 0.000 0.701 176 A CB -0.909 18.106 19.000 0.025 0.000 0.789 176 A HN 0.294 nan 8.150 nan 0.000 0.465 177 A N -1.247 121.594 122.820 0.035 0.000 2.631 177 A HA 0.628 4.948 4.320 -0.000 0.000 0.294 177 A C 0.169 177.782 177.584 0.048 0.000 1.156 177 A CA -0.250 51.810 52.037 0.037 0.000 0.963 177 A CB -0.221 18.802 19.000 0.037 0.000 1.202 177 A HN 0.469 nan 8.150 nan 0.000 0.523 178 M N 1.097 120.725 119.600 0.047 0.000 2.311 178 M HA 0.628 5.108 4.480 -0.000 0.000 0.325 178 M C -2.047 174.275 176.300 0.036 0.000 1.061 178 M CA -0.511 54.820 55.300 0.053 0.000 0.957 178 M CB 1.857 34.493 32.600 0.061 0.000 1.646 178 M HN -0.033 nan 8.290 nan 0.000 0.434 179 V N 5.074 125.009 119.914 0.034 0.000 2.577 179 V HA 0.406 4.526 4.120 -0.000 0.000 0.303 179 V C -1.025 175.069 176.094 0.000 0.000 1.042 179 V CA -0.684 61.627 62.300 0.019 0.000 0.872 179 V CB 1.863 33.701 31.823 0.025 0.000 0.998 179 V HN 0.880 nan 8.190 nan 0.000 0.423 180 Q N 4.469 124.249 119.800 -0.033 0.000 2.331 180 Q HA 0.838 5.178 4.340 -0.000 0.000 0.267 180 Q C -1.488 174.438 176.000 -0.123 0.000 1.006 180 Q CA -0.754 54.983 55.803 -0.111 0.000 0.818 180 Q CB 2.469 31.120 28.738 -0.144 0.000 1.276 180 Q HN 0.578 nan 8.270 nan 0.000 0.450 181 I N 1.663 122.136 120.570 -0.161 0.000 2.493 181 I HA 0.628 4.798 4.170 -0.000 0.000 0.298 181 I C 0.976 176.954 176.117 -0.231 0.000 0.998 181 I CA -0.074 61.138 61.300 -0.148 0.000 1.137 181 I CB 1.990 39.917 38.000 -0.121 0.000 1.310 181 I HN 0.967 nan 8.210 nan 0.000 0.445 182 G N 4.755 113.433 108.800 -0.202 0.000 2.201 182 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.212 182 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.212 182 G C 0.279 175.066 174.900 -0.189 0.000 0.994 182 G CA -0.733 44.230 45.100 -0.228 0.000 0.644 182 G HN 0.417 nan 8.290 nan 0.000 0.508 183 I N 2.183 122.654 120.570 -0.165 0.000 2.826 183 I HA 0.265 4.435 4.170 -0.000 0.000 0.295 183 I C 1.109 177.147 176.117 -0.132 0.000 1.213 183 I CA 1.139 62.349 61.300 -0.150 0.000 1.436 183 I CB -0.538 37.405 38.000 -0.095 0.000 1.348 183 I HN 0.736 nan 8.210 nan 0.000 0.570 184 R N 3.438 123.839 120.500 -0.165 0.000 2.756 184 R HA 0.702 5.041 4.340 -0.000 0.000 0.273 184 R C 0.181 176.370 176.300 -0.184 0.000 1.030 184 R CA -0.314 55.694 56.100 -0.153 0.000 0.887 184 R CB 0.652 30.869 30.300 -0.137 0.000 1.274 184 R HN 0.728 nan 8.270 nan 0.000 0.461 185 G N -0.007 108.654 108.800 -0.232 0.000 2.650 185 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.264 185 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.264 185 G C -1.004 173.524 174.900 -0.621 0.000 1.263 185 G CA 0.160 45.046 45.100 -0.356 0.000 0.960 185 G HN 0.854 nan 8.290 nan 0.000 0.548 186 H N 1.136 120.220 119.070 0.023 0.000 2.771 186 H HA 0.470 5.025 4.556 -0.000 0.000 0.361 186 H C -0.168 175.190 175.328 0.050 0.000 1.108 186 H CA -0.528 55.537 56.048 0.028 0.000 1.201 186 H CB 1.102 30.874 29.762 0.018 0.000 1.681 186 H HN 0.557 nan 8.280 nan 0.000 0.534 187 N N 3.023 121.809 118.700 0.143 0.000 2.515 187 N HA 0.093 4.833 4.740 -0.000 0.000 0.279 187 N C -1.213 174.359 175.510 0.102 0.000 1.164 187 N CA -1.431 51.685 53.050 0.109 0.000 0.982 187 N CB 1.559 40.094 38.487 0.081 0.000 1.170 187 N HN 0.433 nan 8.380 nan 0.000 0.474 188 P HA -0.051 nan 4.420 nan 0.000 0.221 188 P C -0.262 177.066 177.300 0.046 0.000 1.150 188 P CA 1.536 64.669 63.100 0.055 0.000 0.800 188 P CB 0.265 31.996 31.700 0.051 0.000 0.787 189 K N 0.190 120.622 120.400 0.053 0.000 2.477 189 K HA 0.458 4.778 4.320 -0.000 0.000 0.255 189 K C -2.531 174.100 176.600 0.052 0.000 0.952 189 K CA -1.552 54.762 56.287 0.046 0.000 0.826 189 K CB 0.384 32.909 32.500 0.042 0.000 1.331 189 K HN -0.208 nan 8.250 nan 0.000 0.437 190 P HA -0.089 nan 4.420 nan 0.000 0.225 190 P C -0.463 176.864 177.300 0.045 0.000 1.148 190 P CA 1.187 64.314 63.100 0.045 0.000 0.779 190 P CB 0.341 32.063 31.700 0.037 0.000 0.780 191 D N -1.337 119.092 120.400 0.049 0.000 2.772 191 D HA 0.133 4.772 4.640 -0.000 0.000 0.272 191 D C 1.164 177.507 176.300 0.072 0.000 1.314 191 D CA 0.007 54.040 54.000 0.055 0.000 0.835 191 D CB 0.019 40.849 40.800 0.049 0.000 1.080 191 D HN -0.059 nan 8.370 nan 0.000 0.482 192 S N -0.263 115.482 115.700 0.074 0.000 2.428 192 S HA 0.037 4.506 4.470 -0.000 0.000 0.230 192 S C 1.802 176.472 174.600 0.117 0.000 1.014 192 S CA 0.471 58.724 58.200 0.089 0.000 0.957 192 S CB 0.256 63.505 63.200 0.081 0.000 0.784 192 S HN 0.392 nan 8.310 nan 0.000 0.499 193 L N 0.814 122.098 121.223 0.102 0.000 2.567 193 L HA 0.082 4.421 4.340 -0.000 0.000 0.225 193 L C 1.380 178.322 176.870 0.119 0.000 1.119 193 L CA 0.224 55.131 54.840 0.112 0.000 0.871 193 L CB -0.342 41.761 42.059 0.072 0.000 1.036 193 L HN 0.099 nan 8.230 nan 0.000 0.459 194 D N -0.056 120.411 120.400 0.112 0.000 2.123 194 D HA -0.262 4.378 4.640 -0.000 0.000 0.196 194 D C 1.754 178.123 176.300 0.116 0.000 0.992 194 D CA 1.337 55.391 54.000 0.091 0.000 0.833 194 D CB -0.128 40.719 40.800 0.079 0.000 0.954 194 D HN 0.298 nan 8.370 nan 0.000 0.455 195 Y N 1.448 121.790 120.300 0.071 0.000 2.049 195 Y HA -0.274 4.275 4.550 -0.000 0.000 0.277 195 Y C 2.300 178.315 175.900 0.191 0.000 1.143 195 Y CA 2.261 60.436 58.100 0.126 0.000 1.115 195 Y CB -0.651 37.885 38.460 0.127 0.000 0.975 195 Y HN -0.038 nan 8.280 nan 0.000 0.487 196 A N 0.727 123.668 122.820 0.200 0.000 1.883 196 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 196 A C 2.308 179.901 177.584 0.016 0.000 1.186 196 A CA 2.179 54.267 52.037 0.086 0.000 0.624 196 A CB -0.768 18.337 19.000 0.175 0.000 0.822 196 A HN 0.606 nan 8.150 nan 0.000 0.444 197 R N -1.134 119.382 120.500 0.027 0.000 2.092 197 R HA -0.076 4.264 4.340 -0.000 0.000 0.231 197 R C 2.366 178.643 176.300 -0.039 0.000 1.119 197 R CA 0.988 57.090 56.100 0.003 0.000 0.970 197 R CB -0.590 29.718 30.300 0.014 0.000 0.864 197 R HN 0.544 nan 8.270 nan 0.000 0.440 198 G N -0.362 108.387 108.800 -0.085 0.000 2.448 198 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.219 198 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.219 198 G C 0.784 175.529 174.900 -0.259 0.000 1.127 198 G CA 0.767 45.765 45.100 -0.169 0.000 0.766 198 G HN 0.410 nan 8.290 nan 0.000 0.552 199 H N -0.723 118.227 119.070 -0.201 0.000 2.539 199 H HA 0.335 4.891 4.556 -0.000 0.000 0.267 199 H C 1.994 177.261 175.328 -0.102 0.000 0.982 199 H CA 0.532 56.467 56.048 -0.188 0.000 1.146 199 H CB 0.481 30.058 29.762 -0.309 0.000 1.382 199 H HN 0.413 nan 8.280 nan 0.000 0.577 200 G N 0.181 108.986 108.800 0.009 0.000 2.144 200 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 200 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 200 G C -0.027 174.886 174.900 0.021 0.000 0.988 200 G CA 0.148 45.255 45.100 0.011 0.000 0.659 200 G HN 0.203 nan 8.290 nan 0.000 0.522 201 V N 0.961 120.891 119.914 0.027 0.000 2.572 201 V HA 0.451 4.571 4.120 -0.000 0.000 0.291 201 V C 1.082 177.189 176.094 0.022 0.000 1.039 201 V CA -0.154 62.163 62.300 0.029 0.000 1.055 201 V CB 1.284 33.130 31.823 0.039 0.000 0.969 201 V HN 0.470 nan 8.190 nan 0.000 0.482 202 R N 4.673 125.184 120.500 0.019 0.000 2.210 202 R HA 0.395 4.735 4.340 -0.000 0.000 0.338 202 R C -1.056 175.250 176.300 0.009 0.000 1.062 202 R CA -0.047 56.062 56.100 0.014 0.000 0.902 202 R CB 0.604 30.913 30.300 0.015 0.000 1.050 202 R HN 0.509 nan 8.270 nan 0.000 0.461 203 V N 6.045 125.964 119.914 0.008 0.000 2.370 203 V HA 0.321 4.440 4.120 -0.000 0.000 0.279 203 V C -0.434 175.660 176.094 0.000 0.000 1.029 203 V CA -0.742 61.558 62.300 -0.001 0.000 0.870 203 V CB 1.699 33.526 31.823 0.006 0.000 0.984 203 V HN 0.496 nan 8.190 nan 0.000 0.451 204 V N 5.031 124.942 119.914 -0.005 0.000 2.293 204 V HA 0.297 4.417 4.120 -0.000 0.000 0.275 204 V C 0.692 176.790 176.094 0.006 0.000 1.021 204 V CA -0.505 61.805 62.300 0.018 0.000 0.815 204 V CB 1.552 33.406 31.823 0.051 0.000 1.025 204 V HN 1.033 nan 8.190 nan 0.000 0.448 205 T N 2.220 116.778 114.554 0.006 0.000 2.802 205 T HA 0.383 4.733 4.350 -0.000 0.000 0.305 205 T C 1.559 176.274 174.700 0.024 0.000 1.053 205 T CA 0.225 62.318 62.100 -0.012 0.000 1.058 205 T CB 1.438 70.297 68.868 -0.014 0.000 0.988 205 T HN 0.702 nan 8.240 nan 0.000 0.539 206 A N 1.190 124.004 122.820 -0.011 0.000 1.940 206 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 206 A C 2.051 179.694 177.584 0.099 0.000 1.176 206 A CA 1.820 53.875 52.037 0.029 0.000 0.631 206 A CB -0.999 17.982 19.000 -0.031 0.000 0.814 206 A HN 0.917 nan 8.150 nan 0.000 0.446 207 D N -0.689 119.737 120.400 0.042 0.000 2.084 207 D HA -0.167 4.473 4.640 -0.000 0.000 0.194 207 D C 1.921 178.245 176.300 0.040 0.000 0.990 207 D CA 1.600 55.620 54.000 0.034 0.000 0.826 207 D CB -0.432 40.372 40.800 0.006 0.000 0.971 207 D HN 0.735 nan 8.370 nan 0.000 0.453 208 E N -0.501 119.723 120.200 0.041 0.000 2.110 208 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 208 E C 2.012 178.631 176.600 0.032 0.000 0.988 208 E CA 0.417 56.832 56.400 0.026 0.000 0.804 208 E CB -0.223 29.492 29.700 0.025 0.000 0.745 208 E HN 0.206 nan 8.360 nan 0.000 0.458 209 F N 0.857 120.784 119.950 -0.039 0.000 2.161 209 F HA -0.068 4.459 4.527 -0.000 0.000 0.300 209 F C 1.918 177.696 175.800 -0.036 0.000 1.089 209 F CA 1.905 59.880 58.000 -0.040 0.000 1.282 209 F CB -0.587 38.383 39.000 -0.050 0.000 1.010 209 F HN 0.053 nan 8.300 nan 0.000 0.485 210 G N -0.604 108.156 108.800 -0.067 0.000 2.408 210 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.217 210 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.217 210 G C 1.537 176.328 174.900 -0.181 0.000 1.150 210 G CA 1.049 46.066 45.100 -0.137 0.000 0.776 210 G HN 0.514 nan 8.290 nan 0.000 0.542 211 E N 0.858 120.981 120.200 -0.128 0.000 2.046 211 E HA 0.152 4.502 4.350 -0.000 0.000 0.190 211 E C 2.399 178.911 176.600 -0.147 0.000 0.982 211 E CA 0.884 57.219 56.400 -0.108 0.000 0.800 211 E CB -0.514 29.149 29.700 -0.062 0.000 0.756 211 E HN 0.409 nan 8.360 nan 0.000 0.449 212 L N -0.795 120.320 121.223 -0.181 0.000 2.093 212 L HA 0.262 4.601 4.340 -0.000 0.000 0.208 212 L C 1.723 178.432 176.870 -0.267 0.000 1.085 212 L CA 0.733 55.463 54.840 -0.184 0.000 0.755 212 L CB -0.643 41.331 42.059 -0.142 0.000 0.904 212 L HN 0.709 nan 8.230 nan 0.000 0.435 213 G N -1.230 107.279 108.800 -0.484 0.000 2.795 213 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.664 213 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.664 213 G C 0.328 174.911 174.900 -0.527 0.000 1.381 213 G CA -0.443 44.347 45.100 -0.516 0.000 0.853 213 G HN -0.154 nan 8.290 nan 0.000 0.545 214 V N 1.479 121.204 119.914 -0.314 0.000 2.261 214 V HA -0.027 4.093 4.120 -0.000 0.000 0.246 214 V C 3.228 179.307 176.094 -0.024 0.000 1.047 214 V CA 3.437 65.706 62.300 -0.051 0.000 1.015 214 V CB -1.287 30.563 31.823 0.044 0.000 0.642 214 V HN 1.588 nan 8.190 nan 0.000 0.446 215 G N -0.009 108.760 108.800 -0.052 0.000 2.446 215 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.217 215 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.217 215 G C 1.649 176.528 174.900 -0.034 0.000 1.168 215 G CA 1.006 46.087 45.100 -0.032 0.000 0.771 215 G HN 0.592 nan 8.290 nan 0.000 0.551 216 G N 0.148 108.907 108.800 -0.067 0.000 2.440 216 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.218 216 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.218 216 G C 1.854 176.736 174.900 -0.029 0.000 1.154 216 G CA 1.791 46.856 45.100 -0.057 0.000 0.767 216 G HN 0.397 nan 8.290 nan 0.000 0.552 217 T N 1.559 116.101 114.554 -0.020 0.000 2.821 217 T HA 0.084 4.433 4.350 -0.000 0.000 0.267 217 T C 2.806 177.542 174.700 0.060 0.000 1.046 217 T CA 1.339 63.474 62.100 0.059 0.000 1.139 217 T CB -0.310 68.679 68.868 0.203 0.000 0.871 217 T HN 0.375 nan 8.240 nan 0.000 0.454 218 A N 2.109 124.959 122.820 0.050 0.000 1.902 218 A HA -0.166 4.153 4.320 -0.000 0.000 0.217 218 A C 2.123 179.721 177.584 0.023 0.000 1.181 218 A CA 1.681 53.741 52.037 0.040 0.000 0.623 218 A CB -0.603 18.416 19.000 0.032 0.000 0.818 218 A HN 0.345 nan 8.150 nan 0.000 0.443 219 D N -0.425 119.982 120.400 0.011 0.000 2.117 219 D HA -0.126 4.513 4.640 -0.000 0.000 0.197 219 D C 1.858 178.163 176.300 0.009 0.000 0.987 219 D CA 1.294 55.297 54.000 0.005 0.000 0.829 219 D CB -0.418 40.380 40.800 -0.003 0.000 0.961 219 D HN 0.349 nan 8.370 nan 0.000 0.460 220 L N 1.077 122.308 121.223 0.013 0.000 2.046 220 L HA -0.116 4.223 4.340 -0.000 0.000 0.208 220 L C 2.123 179.006 176.870 0.021 0.000 1.077 220 L CA 1.317 56.166 54.840 0.016 0.000 0.747 220 L CB -0.546 41.525 42.059 0.020 0.000 0.896 220 L HN -0.015 nan 8.230 nan 0.000 0.432 221 I N -0.883 119.703 120.570 0.028 0.000 2.142 221 I HA -0.300 3.869 4.170 -0.000 0.000 0.240 221 I C 2.668 178.799 176.117 0.022 0.000 1.078 221 I CA 1.258 62.576 61.300 0.030 0.000 1.343 221 I CB -0.368 37.654 38.000 0.037 0.000 1.046 221 I HN 0.223 nan 8.210 nan 0.000 0.405 222 R N 0.633 121.144 120.500 0.017 0.000 2.091 222 R HA -0.217 4.123 4.340 -0.000 0.000 0.238 222 R C 2.567 178.872 176.300 0.009 0.000 1.136 222 R CA 2.075 58.181 56.100 0.010 0.000 0.959 222 R CB -0.617 29.686 30.300 0.005 0.000 0.856 222 R HN 0.517 nan 8.270 nan 0.000 0.437 223 E N 1.042 121.247 120.200 0.009 0.000 2.072 223 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 223 E C 2.058 178.665 176.600 0.011 0.000 0.985 223 E CA 1.781 58.186 56.400 0.008 0.000 0.801 223 E CB -0.650 29.054 29.700 0.006 0.000 0.750 223 E HN 0.575 nan 8.360 nan 0.000 0.452 224 K N 0.204 120.613 120.400 0.015 0.000 2.296 224 K HA 0.336 4.656 4.320 -0.000 0.000 0.200 224 K C 2.338 178.951 176.600 0.022 0.000 1.048 224 K CA 1.075 57.373 56.287 0.018 0.000 0.966 224 K CB -0.353 32.160 32.500 0.021 0.000 0.754 224 K HN 0.331 nan 8.250 nan 0.000 0.466 225 V N -0.688 119.239 119.914 0.022 0.000 2.795 225 V HA 0.260 4.379 4.120 -0.000 0.000 0.243 225 V C 1.927 178.031 176.094 0.016 0.000 1.069 225 V CA 0.728 63.042 62.300 0.024 0.000 1.089 225 V CB -0.377 31.462 31.823 0.027 0.000 0.756 225 V HN 0.898 nan 8.190 nan 0.000 0.471 226 G N 0.714 109.520 108.800 0.011 0.000 2.583 226 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.292 226 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.292 226 G C 0.340 175.241 174.900 0.002 0.000 1.203 226 G CA 0.561 45.664 45.100 0.006 0.000 0.987 226 G HN 0.349 nan 8.290 nan 0.000 0.554 227 Q N 1.157 120.958 119.800 0.002 0.000 2.179 227 Q HA 0.416 4.756 4.340 -0.000 0.000 0.213 227 Q C 1.594 177.596 176.000 0.004 0.000 0.833 227 Q CA 0.914 56.715 55.803 -0.002 0.000 0.990 227 Q CB 0.287 29.024 28.738 -0.001 0.000 1.132 227 Q HN 1.015 nan 8.270 nan 0.000 0.493 228 R N 2.886 123.391 120.500 0.009 0.000 2.694 228 R HA 0.255 4.595 4.340 -0.000 0.000 0.268 228 R C -2.337 173.965 176.300 0.003 0.000 1.061 228 R CA -1.117 54.992 56.100 0.014 0.000 1.133 228 R CB -1.662 28.651 30.300 0.021 0.000 1.020 228 R HN 0.031 nan 8.270 nan 0.000 0.475 229 P HA 0.173 nan 4.420 nan 0.000 0.267 229 P C -0.785 176.491 177.300 -0.040 0.000 1.209 229 P CA 0.025 63.089 63.100 -0.060 0.000 0.763 229 P CB 1.103 32.743 31.700 -0.100 0.000 0.816 230 V N 5.553 125.442 119.914 -0.043 0.000 2.628 230 V HA 0.406 4.526 4.120 -0.000 0.000 0.306 230 V C -1.406 174.701 176.094 0.021 0.000 1.045 230 V CA -1.038 61.272 62.300 0.016 0.000 0.905 230 V CB 1.721 33.561 31.823 0.029 0.000 0.997 230 V HN 0.441 nan 8.190 nan 0.000 0.436 231 Y N 5.015 125.303 120.300 -0.020 0.000 2.331 231 Y HA 0.651 5.201 4.550 -0.000 0.000 0.338 231 Y C -0.355 175.612 175.900 0.111 0.000 0.976 231 Y CA -0.496 57.599 58.100 -0.007 0.000 1.137 231 Y CB 1.790 40.259 38.460 0.015 0.000 1.172 231 Y HN 0.441 nan 8.280 nan 0.000 0.478 232 V N 5.760 125.549 119.914 -0.209 0.000 2.311 232 V HA 0.296 4.416 4.120 -0.000 0.000 0.275 232 V C -0.210 175.912 176.094 0.046 0.000 1.022 232 V CA -0.526 61.804 62.300 0.049 0.000 0.830 232 V CB 0.961 32.888 31.823 0.174 0.000 1.012 232 V HN 0.779 nan 8.190 nan 0.000 0.452 233 S N 4.663 120.544 115.700 0.302 0.000 2.433 233 S HA 0.669 5.139 4.470 -0.000 0.000 0.310 233 S C -0.639 174.225 174.600 0.440 0.000 1.097 233 S CA -0.439 58.050 58.200 0.481 0.000 1.103 233 S CB 1.145 64.857 63.200 0.854 0.000 0.992 233 S HN 0.468 nan 8.310 nan 0.000 0.469 234 V N 5.401 125.480 119.914 0.275 0.000 2.378 234 V HA 0.384 4.504 4.120 -0.000 0.000 0.288 234 V C -0.207 175.919 176.094 0.054 0.000 1.016 234 V CA -0.951 61.447 62.300 0.162 0.000 0.840 234 V CB 1.633 33.495 31.823 0.064 0.000 0.994 234 V HN 0.836 nan 8.190 nan 0.000 0.431 235 D N 3.581 124.024 120.400 0.071 0.000 2.280 235 D HA 0.180 4.819 4.640 -0.000 0.000 0.243 235 D C 0.879 177.183 176.300 0.008 0.000 1.129 235 D CA -0.380 53.594 54.000 -0.043 0.000 0.848 235 D CB 1.741 42.633 40.800 0.152 0.000 1.107 235 D HN 0.410 nan 8.370 nan 0.000 0.471 236 I N 3.668 124.240 120.570 0.003 0.000 2.399 236 I HA -0.270 3.900 4.170 -0.000 0.000 0.254 236 I C 1.415 177.554 176.117 0.037 0.000 1.146 236 I CA 1.396 62.711 61.300 0.025 0.000 1.412 236 I CB -0.180 37.846 38.000 0.043 0.000 1.076 236 I HN 0.455 nan 8.210 nan 0.000 0.432 237 D N -0.717 119.717 120.400 0.057 0.000 2.371 237 D HA -0.117 4.523 4.640 -0.000 0.000 0.234 237 D C 1.986 178.285 176.300 -0.001 0.000 1.049 237 D CA 0.596 54.633 54.000 0.062 0.000 0.907 237 D CB -0.846 40.034 40.800 0.134 0.000 0.891 237 D HN 0.272 nan 8.370 nan 0.000 0.531 238 V N 0.314 120.208 119.914 -0.033 0.000 2.548 238 V HA -0.070 4.050 4.120 -0.000 0.000 0.249 238 V C 1.120 177.150 176.094 -0.107 0.000 1.055 238 V CA 1.236 63.473 62.300 -0.105 0.000 1.065 238 V CB 0.029 31.773 31.823 -0.131 0.000 0.681 238 V HN 0.315 nan 8.190 nan 0.000 0.462 239 V N -0.540 119.339 119.914 -0.058 0.000 2.834 239 V HA 0.356 4.476 4.120 -0.000 0.000 0.301 239 V C 0.398 176.533 176.094 0.068 0.000 1.066 239 V CA -0.929 61.350 62.300 -0.036 0.000 1.052 239 V CB 1.019 32.827 31.823 -0.025 0.000 1.021 239 V HN 0.413 nan 8.190 nan 0.000 0.480 240 D N 3.505 123.998 120.400 0.155 0.000 2.472 240 D HA 0.081 4.721 4.640 -0.000 0.000 0.237 240 D C -1.642 174.779 176.300 0.201 0.000 1.141 240 D CA -0.870 53.250 54.000 0.200 0.000 0.875 240 D CB 1.778 42.755 40.800 0.295 0.000 1.192 240 D HN 0.433 nan 8.370 nan 0.000 0.450 241 P HA -0.167 nan 4.420 nan 0.000 0.218 241 P C 0.813 178.128 177.300 0.024 0.000 1.146 241 P CA 1.642 64.783 63.100 0.068 0.000 0.820 241 P CB 0.118 31.846 31.700 0.047 0.000 0.778 242 A N -1.635 121.161 122.820 -0.040 0.000 1.933 242 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 242 A C 1.732 179.101 177.584 -0.359 0.000 1.175 242 A CA 1.497 53.386 52.037 -0.247 0.000 0.628 242 A CB -1.602 17.144 19.000 -0.424 0.000 0.814 242 A HN 0.155 nan 8.150 nan 0.000 0.444 243 F N -0.993 118.964 119.950 0.013 0.000 2.473 243 F HA 0.397 4.923 4.527 -0.000 0.000 0.294 243 F C 1.404 177.214 175.800 0.018 0.000 1.103 243 F CA 0.757 58.764 58.000 0.011 0.000 1.442 243 F CB 0.245 39.246 39.000 0.003 0.000 1.097 243 F HN 0.183 nan 8.300 nan 0.000 0.547 244 A N 0.719 123.643 122.820 0.172 0.000 3.216 244 A HA 0.392 4.712 4.320 -0.000 0.000 0.321 244 A C -1.914 175.727 177.584 0.094 0.000 1.042 244 A CA -0.853 51.257 52.037 0.122 0.000 0.838 244 A CB -0.127 18.943 19.000 0.117 0.000 1.136 244 A HN -0.058 nan 8.150 nan 0.000 0.483 245 P HA -0.038 nan 4.420 nan 0.000 0.225 245 P C 1.015 178.390 177.300 0.124 0.000 1.156 245 P CA 1.087 64.237 63.100 0.085 0.000 0.787 245 P CB 0.157 31.898 31.700 0.068 0.000 0.802 246 G N -0.113 108.764 108.800 0.129 0.000 3.101 246 G HA2 0.292 4.251 3.960 -0.000 0.000 0.272 246 G HA3 0.292 4.251 3.960 -0.000 0.000 0.272 246 G C -0.448 174.536 174.900 0.140 0.000 0.801 246 G CA 0.173 45.375 45.100 0.171 0.000 1.978 246 G HN 0.207 nan 8.290 nan 0.000 0.591 247 T N -0.697 113.914 114.554 0.095 0.000 2.853 247 T HA 0.516 4.866 4.350 -0.000 0.000 0.311 247 T C 1.457 176.137 174.700 -0.033 0.000 1.307 247 T CA 0.389 62.525 62.100 0.060 0.000 1.019 247 T CB 1.336 70.250 68.868 0.077 0.000 1.264 247 T HN 0.226 nan 8.240 nan 0.000 0.497 248 G N 0.940 109.747 108.800 0.012 0.000 2.408 248 G HA2 0.086 4.045 3.960 -0.000 0.000 0.217 248 G HA3 0.086 4.045 3.960 -0.000 0.000 0.217 248 G C 0.676 175.608 174.900 0.054 0.000 1.150 248 G CA 1.264 46.362 45.100 -0.003 0.000 0.776 248 G HN 1.045 nan 8.290 nan 0.000 0.542 249 T N -0.499 114.102 114.554 0.078 0.000 3.317 249 T HA 0.559 4.909 4.350 -0.000 0.000 0.361 249 T C -3.050 171.720 174.700 0.117 0.000 1.499 249 T CA -1.776 60.359 62.100 0.059 0.000 1.529 249 T CB 2.170 71.013 68.868 -0.042 0.000 0.997 249 T HN -0.105 nan 8.240 nan 0.000 0.624 250 P HA 0.455 nan 4.420 nan 0.000 0.267 250 P C -0.622 176.726 177.300 0.081 0.000 1.200 250 P CA -0.205 62.938 63.100 0.073 0.000 0.772 250 P CB 0.451 32.178 31.700 0.045 0.000 0.855 251 A N 3.895 126.749 122.820 0.056 0.000 2.522 251 A HA 0.568 4.888 4.320 -0.000 0.000 0.285 251 A C -2.660 174.927 177.584 0.006 0.000 1.198 251 A CA -1.669 50.382 52.037 0.024 0.000 0.742 251 A CB 0.414 19.382 19.000 -0.054 0.000 1.176 251 A HN 0.309 nan 8.150 nan 0.000 0.444 252 P HA 0.244 nan 4.420 nan 0.000 0.269 252 P C 1.066 178.371 177.300 0.008 0.000 1.205 252 P CA 1.986 65.100 63.100 0.022 0.000 0.780 252 P CB 0.542 32.259 31.700 0.028 0.000 0.858 253 G N 0.552 109.366 108.800 0.025 0.000 2.225 253 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.264 253 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.264 253 G C 0.527 175.434 174.900 0.013 0.000 1.060 253 G CA -0.203 44.911 45.100 0.022 0.000 0.833 253 G HN 0.857 nan 8.290 nan 0.000 0.498 254 G N -1.389 107.427 108.800 0.028 0.000 2.537 254 G HA2 0.735 4.695 3.960 -0.000 0.000 0.297 254 G HA3 0.735 4.695 3.960 -0.000 0.000 0.297 254 G C 0.268 175.164 174.900 -0.007 0.000 1.310 254 G CA -0.988 44.108 45.100 -0.007 0.000 1.027 254 G HN 0.508 nan 8.290 nan 0.000 0.505 255 L N -0.638 120.528 121.223 -0.096 0.000 2.476 255 L HA 0.269 4.609 4.340 -0.000 0.000 0.264 255 L C 0.773 177.497 176.870 -0.243 0.000 1.224 255 L CA 0.127 54.874 54.840 -0.155 0.000 0.821 255 L CB 0.508 42.376 42.059 -0.318 0.000 1.101 255 L HN 0.258 nan 8.230 nan 0.000 0.488 256 L N 0.367 121.393 121.223 -0.328 0.000 2.439 256 L HA 0.234 4.573 4.340 -0.000 0.000 0.261 256 L C 1.518 177.940 176.870 -0.747 0.000 1.153 256 L CA -0.262 54.106 54.840 -0.786 0.000 0.808 256 L CB 0.767 42.569 42.059 -0.429 0.000 1.126 256 L HN 0.672 nan 8.230 nan 0.000 0.460 257 S N 0.618 115.670 115.700 -1.080 0.000 2.359 257 S HA -0.188 4.282 4.470 -0.000 0.000 0.224 257 S C 1.878 176.322 174.600 -0.260 0.000 1.035 257 S CA 1.803 59.720 58.200 -0.471 0.000 1.018 257 S CB -0.257 62.791 63.200 -0.252 0.000 0.876 257 S HN 0.710 nan 8.310 nan 0.000 0.448 258 R N 1.517 121.879 120.500 -0.231 0.000 2.120 258 R HA -0.049 4.290 4.340 -0.000 0.000 0.234 258 R C 1.714 177.966 176.300 -0.080 0.000 1.123 258 R CA 1.583 57.615 56.100 -0.113 0.000 0.975 258 R CB -0.570 29.687 30.300 -0.073 0.000 0.866 258 R HN 0.436 nan 8.270 nan 0.000 0.446 259 E N 1.061 121.205 120.200 -0.094 0.000 2.051 259 E HA -0.125 4.225 4.350 -0.000 0.000 0.192 259 E C 2.160 178.745 176.600 -0.025 0.000 0.991 259 E CA 1.503 57.911 56.400 0.012 0.000 0.799 259 E CB -0.030 29.721 29.700 0.084 0.000 0.748 259 E HN 0.155 nan 8.360 nan 0.000 0.449 260 V N 1.575 121.411 119.914 -0.130 0.000 2.307 260 V HA -0.235 3.885 4.120 -0.000 0.000 0.245 260 V C 2.322 178.373 176.094 -0.072 0.000 1.045 260 V CA 1.406 63.624 62.300 -0.135 0.000 1.024 260 V CB -0.386 31.341 31.823 -0.160 0.000 0.651 260 V HN 0.248 nan 8.190 nan 0.000 0.449 261 L N -0.014 121.170 121.223 -0.066 0.000 2.046 261 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 261 L C 2.710 179.569 176.870 -0.019 0.000 1.077 261 L CA 1.558 56.373 54.840 -0.041 0.000 0.747 261 L CB -0.788 41.244 42.059 -0.045 0.000 0.896 261 L HN 0.365 nan 8.230 nan 0.000 0.432 262 A N -0.023 122.792 122.820 -0.010 0.000 1.898 262 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 262 A C 2.203 179.805 177.584 0.030 0.000 1.181 262 A CA 1.543 53.587 52.037 0.011 0.000 0.620 262 A CB -0.666 18.345 19.000 0.020 0.000 0.819 262 A HN 0.312 nan 8.150 nan 0.000 0.442 263 L N -0.024 121.224 121.223 0.043 0.000 2.042 263 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 263 L C 2.134 179.025 176.870 0.034 0.000 1.076 263 L CA 1.689 56.565 54.840 0.060 0.000 0.749 263 L CB -0.531 41.568 42.059 0.066 0.000 0.893 263 L HN 0.399 nan 8.230 nan 0.000 0.432 264 L N -0.468 120.763 121.223 0.013 0.000 2.447 264 L HA -0.217 4.123 4.340 -0.000 0.000 0.225 264 L C 2.966 179.853 176.870 0.028 0.000 1.148 264 L CA 1.021 55.869 54.840 0.014 0.000 0.808 264 L CB -0.926 41.129 42.059 -0.007 0.000 0.928 264 L HN 0.405 nan 8.230 nan 0.000 0.448 265 R N 0.248 120.768 120.500 0.034 0.000 2.152 265 R HA -0.197 4.143 4.340 -0.000 0.000 0.232 265 R C 2.202 178.525 176.300 0.038 0.000 1.117 265 R CA 1.562 57.691 56.100 0.049 0.000 0.981 265 R CB -2.186 28.142 30.300 0.045 0.000 0.870 265 R HN 0.779 nan 8.270 nan 0.000 0.451 266 C N -1.280 118.038 119.300 0.031 0.000 2.456 266 C HA 0.131 4.591 4.460 -0.000 0.000 0.279 266 C C 2.254 177.252 174.990 0.014 0.000 1.427 266 C CA 0.351 59.381 59.018 0.021 0.000 1.778 266 C CB -1.116 26.639 27.740 0.025 0.000 1.842 266 C HN 0.350 nan 8.230 nan 0.000 0.531 267 V N 2.268 122.197 119.914 0.025 0.000 2.469 267 V HA -0.066 4.053 4.120 -0.000 0.000 0.251 267 V C 2.958 179.044 176.094 -0.013 0.000 1.064 267 V CA 2.319 64.637 62.300 0.031 0.000 1.066 267 V CB -1.458 30.409 31.823 0.073 0.000 0.667 267 V HN 0.721 nan 8.190 nan 0.000 0.461 268 G N -0.568 108.214 108.800 -0.030 0.000 2.498 268 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.219 268 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.219 268 G C 0.989 175.826 174.900 -0.105 0.000 1.119 268 G CA 0.739 45.783 45.100 -0.094 0.000 0.766 268 G HN 0.543 nan 8.290 nan 0.000 0.552 269 D N -0.116 120.246 120.400 -0.062 0.000 2.328 269 D HA 0.203 4.843 4.640 -0.000 0.000 0.221 269 D C 1.136 177.400 176.300 -0.061 0.000 1.072 269 D CA 0.128 54.094 54.000 -0.057 0.000 0.850 269 D CB 0.673 41.456 40.800 -0.028 0.000 0.922 269 D HN 0.296 nan 8.370 nan 0.000 0.516 270 L N -0.462 120.716 121.223 -0.076 0.000 2.343 270 L HA 0.600 4.940 4.340 -0.000 0.000 0.264 270 L C 0.780 177.578 176.870 -0.119 0.000 1.050 270 L CA -1.039 53.761 54.840 -0.066 0.000 0.956 270 L CB 0.615 42.657 42.059 -0.028 0.000 1.576 270 L HN -0.378 nan 8.230 nan 0.000 0.521 271 K N 1.454 121.805 120.400 -0.082 0.000 2.682 271 K HA 0.432 4.752 4.320 -0.000 0.000 0.189 271 K C -2.744 173.821 176.600 -0.057 0.000 1.062 271 K CA -1.624 54.616 56.287 -0.078 0.000 0.997 271 K CB -0.244 32.250 32.500 -0.011 0.000 1.405 271 K HN 0.342 nan 8.250 nan 0.000 0.588 272 P HA 0.080 nan 4.420 nan 0.000 0.271 272 P C 0.536 177.790 177.300 -0.077 0.000 1.220 272 P CA 0.071 63.135 63.100 -0.060 0.000 0.768 272 P CB 1.494 33.244 31.700 0.083 0.000 0.848 273 V N 0.147 119.903 119.914 -0.262 0.000 3.380 273 V HA 0.663 4.782 4.120 -0.000 0.000 0.307 273 V C 0.479 176.284 176.094 -0.482 0.000 1.434 273 V CA 0.204 62.300 62.300 -0.340 0.000 1.075 273 V CB -0.060 31.359 31.823 -0.673 0.000 0.954 273 V HN 0.786 nan 8.190 nan 0.000 0.444 274 G N 0.650 108.974 108.800 -0.793 0.000 2.376 274 G HA2 0.542 4.502 3.960 -0.000 0.000 0.302 274 G HA3 0.542 4.502 3.960 -0.000 0.000 0.302 274 G C -1.528 172.549 174.900 -1.372 0.000 1.586 274 G CA -0.224 44.247 45.100 -1.048 0.000 0.907 274 G HN 0.639 nan 8.290 nan 0.000 0.655 275 F N -0.428 119.153 119.950 -0.615 0.000 2.713 275 F HA 0.861 5.388 4.527 -0.000 0.000 0.311 275 F C -0.989 174.703 175.800 -0.179 0.000 1.141 275 F CA -1.610 56.026 58.000 -0.606 0.000 0.939 275 F CB 1.642 40.470 39.000 -0.286 0.000 1.325 275 F HN 0.765 nan 8.300 nan 0.000 0.453 276 D N -1.183 119.317 120.400 0.167 0.000 2.609 276 D HA 0.659 5.298 4.640 -0.000 0.000 0.239 276 D C -1.898 174.472 176.300 0.117 0.000 1.229 276 D CA -0.775 53.346 54.000 0.202 0.000 0.808 276 D CB 2.143 43.133 40.800 0.317 0.000 1.448 276 D HN 0.480 nan 8.370 nan 0.000 0.433 277 V N 1.047 120.994 119.914 0.054 0.000 2.419 277 V HA 0.514 4.634 4.120 -0.000 0.000 0.287 277 V C -0.517 175.575 176.094 -0.005 0.000 1.017 277 V CA -0.552 61.756 62.300 0.014 0.000 0.844 277 V CB 0.868 32.690 31.823 -0.002 0.000 1.011 277 V HN 0.582 nan 8.190 nan 0.000 0.429 278 M N 2.069 121.632 119.600 -0.061 0.000 2.821 278 M HA 0.703 5.183 4.480 -0.000 0.000 0.304 278 M C 0.589 176.860 176.300 -0.048 0.000 1.233 278 M CA -0.600 54.654 55.300 -0.076 0.000 0.851 278 M CB 1.182 33.672 32.600 -0.183 0.000 1.723 278 M HN 0.561 nan 8.290 nan 0.000 0.493 279 E N -1.215 118.993 120.200 0.013 0.000 3.628 279 E HA -0.115 4.235 4.350 -0.000 0.000 0.309 279 E C -0.747 175.898 176.600 0.075 0.000 0.839 279 E CA 0.322 56.761 56.400 0.066 0.000 1.123 279 E CB -2.149 27.600 29.700 0.082 0.000 1.568 279 E HN 0.520 nan 8.360 nan 0.000 0.440 280 V N 1.631 121.586 119.914 0.068 0.000 2.479 280 V HA 0.153 4.273 4.120 -0.000 0.000 0.281 280 V C 0.851 177.014 176.094 0.114 0.000 1.031 280 V CA 0.691 63.044 62.300 0.089 0.000 1.038 280 V CB 1.433 33.308 31.823 0.086 0.000 0.981 280 V HN 0.187 nan 8.190 nan 0.000 0.478 281 S N 7.093 122.881 115.700 0.146 0.000 2.532 281 S HA 0.431 4.901 4.470 -0.000 0.000 0.256 281 S C -1.434 173.308 174.600 0.237 0.000 1.298 281 S CA -1.441 56.883 58.200 0.208 0.000 1.166 281 S CB 1.255 64.599 63.200 0.240 0.000 1.022 281 S HN 0.565 nan 8.310 nan 0.000 0.480 282 P HA -0.176 nan 4.420 nan 0.000 0.218 282 P C 1.441 178.785 177.300 0.073 0.000 1.154 282 P CA 0.938 64.113 63.100 0.125 0.000 0.872 282 P CB 0.085 31.851 31.700 0.109 0.000 0.790 283 L N -2.668 118.586 121.223 0.051 0.000 2.127 283 L HA -0.172 4.168 4.340 -0.000 0.000 0.211 283 L C 2.013 178.749 176.870 -0.224 0.000 1.089 283 L CA 1.950 56.709 54.840 -0.134 0.000 0.757 283 L CB -2.110 39.806 42.059 -0.238 0.000 0.899 283 L HN 0.121 nan 8.230 nan 0.000 0.434 284 Y N -0.892 119.430 120.300 0.037 0.000 2.466 284 Y HA 0.115 4.664 4.550 -0.000 0.000 0.272 284 Y C 1.100 177.019 175.900 0.032 0.000 1.169 284 Y CA -0.955 57.167 58.100 0.037 0.000 1.285 284 Y CB -0.123 38.370 38.460 0.055 0.000 1.078 284 Y HN 0.091 nan 8.280 nan 0.000 0.523 285 D N 0.375 120.855 120.400 0.134 0.000 2.339 285 D HA 0.204 4.844 4.640 -0.000 0.000 0.245 285 D C -0.172 176.156 176.300 0.046 0.000 1.115 285 D CA 0.336 54.391 54.000 0.091 0.000 0.917 285 D CB 0.577 41.423 40.800 0.077 0.000 1.192 285 D HN 0.426 nan 8.370 nan 0.000 0.428 286 H N -0.596 118.496 119.070 0.036 0.000 2.646 286 H HA 0.555 5.111 4.556 -0.000 0.000 0.328 286 H C 1.130 176.462 175.328 0.007 0.000 0.998 286 H CA -0.558 55.498 56.048 0.013 0.000 1.225 286 H CB 1.046 30.812 29.762 0.008 0.000 1.457 286 H HN 0.735 nan 8.280 nan 0.000 0.505 287 G N 0.816 109.615 108.800 -0.001 0.000 2.168 287 G HA2 0.073 4.033 3.960 -0.000 0.000 0.257 287 G HA3 0.073 4.033 3.960 -0.000 0.000 0.257 287 G C 2.012 176.915 174.900 0.006 0.000 0.997 287 G CA 1.546 46.644 45.100 -0.003 0.000 0.708 287 G HN 2.560 nan 8.290 nan 0.000 0.520 288 G N -0.362 108.446 108.800 0.014 0.000 2.180 288 G HA2 -0.305 3.654 3.960 -0.000 0.000 0.263 288 G HA3 -0.305 3.654 3.960 -0.000 0.000 0.263 288 G C 1.339 176.259 174.900 0.034 0.000 0.989 288 G CA 1.310 46.425 45.100 0.025 0.000 0.692 288 G HN 2.062 nan 8.290 nan 0.000 0.526 289 I N -2.695 117.895 120.570 0.033 0.000 2.567 289 I HA -0.044 4.126 4.170 -0.000 0.000 0.257 289 I C 2.185 178.340 176.117 0.063 0.000 1.184 289 I CA 1.983 63.309 61.300 0.043 0.000 1.451 289 I CB -0.718 37.304 38.000 0.036 0.000 1.089 289 I HN 0.052 nan 8.210 nan 0.000 0.441 290 T N 0.595 115.190 114.554 0.068 0.000 2.812 290 T HA -0.065 4.285 4.350 -0.000 0.000 0.264 290 T C 2.102 176.850 174.700 0.080 0.000 1.042 290 T CA 1.714 63.863 62.100 0.082 0.000 1.140 290 T CB -0.188 68.734 68.868 0.089 0.000 0.870 290 T HN 0.407 nan 8.240 nan 0.000 0.445 291 S N 1.140 116.886 115.700 0.076 0.000 2.383 291 S HA 0.042 4.512 4.470 -0.000 0.000 0.227 291 S C 2.043 176.689 174.600 0.077 0.000 1.026 291 S CA 0.760 59.010 58.200 0.083 0.000 0.981 291 S CB -0.395 62.852 63.200 0.078 0.000 0.818 291 S HN 0.390 nan 8.310 nan 0.000 0.472 292 I N 0.975 121.578 120.570 0.055 0.000 2.226 292 I HA -0.176 3.993 4.170 -0.000 0.000 0.245 292 I C 2.290 178.431 176.117 0.041 0.000 1.100 292 I CA 0.792 62.113 61.300 0.035 0.000 1.374 292 I CB -0.277 37.736 38.000 0.022 0.000 1.057 292 I HN 0.252 nan 8.210 nan 0.000 0.413 293 L N 1.275 122.532 121.223 0.056 0.000 2.017 293 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 293 L C 2.580 179.484 176.870 0.058 0.000 1.073 293 L CA 2.180 57.052 54.840 0.054 0.000 0.745 293 L CB -0.871 41.232 42.059 0.073 0.000 0.894 293 L HN 0.176 nan 8.230 nan 0.000 0.432 294 A N -1.412 121.453 122.820 0.076 0.000 1.948 294 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 294 A C 2.270 179.940 177.584 0.143 0.000 1.177 294 A CA 2.473 54.564 52.037 0.090 0.000 0.636 294 A CB -1.311 17.747 19.000 0.097 0.000 0.815 294 A HN 0.559 nan 8.150 nan 0.000 0.449 295 T N -0.670 113.981 114.554 0.162 0.000 2.737 295 T HA -0.125 4.225 4.350 -0.000 0.000 0.265 295 T C 1.927 176.706 174.700 0.133 0.000 1.038 295 T CA 1.669 63.899 62.100 0.216 0.000 1.144 295 T CB -0.249 68.643 68.868 0.040 0.000 0.866 295 T HN 0.610 nan 8.240 nan 0.000 0.434 296 E N 1.116 121.343 120.200 0.046 0.000 2.118 296 E HA -0.081 4.269 4.350 -0.000 0.000 0.195 296 E C 1.953 178.565 176.600 0.021 0.000 0.992 296 E CA 1.090 57.495 56.400 0.007 0.000 0.804 296 E CB -0.566 29.126 29.700 -0.013 0.000 0.741 296 E HN 0.547 nan 8.360 nan 0.000 0.458 297 I N -0.324 120.266 120.570 0.033 0.000 2.226 297 I HA -0.170 4.000 4.170 -0.000 0.000 0.245 297 I C 2.346 178.461 176.117 -0.004 0.000 1.100 297 I CA 1.188 62.490 61.300 0.005 0.000 1.374 297 I CB -0.593 37.408 38.000 0.001 0.000 1.057 297 I HN 0.260 nan 8.210 nan 0.000 0.413 298 G N 0.471 109.318 108.800 0.077 0.000 2.422 298 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.218 298 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.218 298 G C 1.865 176.828 174.900 0.105 0.000 1.146 298 G CA 0.812 45.957 45.100 0.075 0.000 0.769 298 G HN 0.486 nan 8.290 nan 0.000 0.547 299 A N 0.750 123.665 122.820 0.159 0.000 1.902 299 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 299 A C 2.185 179.782 177.584 0.021 0.000 1.181 299 A CA 2.212 54.296 52.037 0.078 0.000 0.623 299 A CB -0.417 18.578 19.000 -0.009 0.000 0.818 299 A HN 0.371 nan 8.150 nan 0.000 0.443 300 E N 0.213 120.411 120.200 -0.002 0.000 2.077 300 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 300 E C 1.837 178.434 176.600 -0.006 0.000 0.989 300 E CA 1.222 57.631 56.400 0.014 0.000 0.800 300 E CB -0.397 29.297 29.700 -0.009 0.000 0.746 300 E HN 0.614 nan 8.360 nan 0.000 0.452 301 L N -0.232 120.896 121.223 -0.158 0.000 2.056 301 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 301 L C 2.518 179.184 176.870 -0.339 0.000 1.078 301 L CA 0.901 55.494 54.840 -0.411 0.000 0.749 301 L CB -0.461 41.042 42.059 -0.926 0.000 0.901 301 L HN 0.194 nan 8.230 nan 0.000 0.433 302 L N -1.427 119.678 121.223 -0.197 0.000 2.046 302 L HA -0.277 4.063 4.340 -0.000 0.000 0.208 302 L C 2.669 179.634 176.870 0.157 0.000 1.077 302 L CA 1.444 56.310 54.840 0.044 0.000 0.747 302 L CB -0.677 41.466 42.059 0.141 0.000 0.896 302 L HN 0.228 nan 8.230 nan 0.000 0.432 303 Y N 0.674 120.975 120.300 0.002 0.000 2.200 303 Y HA -0.245 4.305 4.550 -0.000 0.000 0.290 303 Y C 2.738 178.670 175.900 0.053 0.000 1.137 303 Y CA 1.414 59.519 58.100 0.009 0.000 1.163 303 Y CB -0.111 38.320 38.460 -0.047 0.000 0.988 303 Y HN 0.146 nan 8.280 nan 0.000 0.518 304 Q N -0.827 118.963 119.800 -0.018 0.000 2.170 304 Q HA -0.228 4.111 4.340 -0.000 0.000 0.203 304 Q C 2.067 178.035 176.000 -0.053 0.000 0.976 304 Q CA 1.686 57.439 55.803 -0.083 0.000 0.858 304 Q CB -0.964 27.792 28.738 0.030 0.000 0.907 304 Q HN 0.732 nan 8.270 nan 0.000 0.433 305 Y N 1.086 121.389 120.300 0.004 0.000 2.145 305 Y HA -0.228 4.322 4.550 -0.000 0.000 0.286 305 Y C 2.240 178.132 175.900 -0.014 0.000 1.145 305 Y CA 1.770 59.933 58.100 0.105 0.000 1.148 305 Y CB -0.333 38.344 38.460 0.363 0.000 0.981 305 Y HN 0.102 nan 8.280 nan 0.000 0.507 306 A N 0.574 123.467 122.820 0.122 0.000 1.883 306 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 306 A C 2.358 179.820 177.584 -0.204 0.000 1.186 306 A CA 2.014 54.051 52.037 0.000 0.000 0.624 306 A CB -0.900 18.089 19.000 -0.018 0.000 0.822 306 A HN 0.561 nan 8.150 nan 0.000 0.444 307 R N -0.479 119.788 120.500 -0.388 0.000 2.096 307 R HA -0.089 4.251 4.340 -0.000 0.000 0.235 307 R C 2.125 178.258 176.300 -0.279 0.000 1.127 307 R CA 1.365 57.255 56.100 -0.351 0.000 0.968 307 R CB -0.359 29.689 30.300 -0.420 0.000 0.861 307 R HN 0.451 nan 8.270 nan 0.000 0.440 308 A N 0.266 122.856 122.820 -0.383 0.000 2.119 308 A HA -0.021 4.299 4.320 -0.000 0.000 0.217 308 A C 0.200 177.404 177.584 -0.632 0.000 1.153 308 A CA 0.779 52.505 52.037 -0.518 0.000 0.692 308 A CB -0.189 18.408 19.000 -0.671 0.000 0.799 308 A HN 0.325 nan 8.150 nan 0.000 0.458 309 H N 0.000 118.927 119.070 -0.238 0.000 2.539 309 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 309 H CA 0.000 55.929 56.048 -0.198 0.000 1.023 309 H CB 0.000 29.582 29.762 -0.299 0.000 1.292 309 H HN 0.000 nan 8.280 nan 0.000 0.496