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 2p82_1_B DATA FIRST_RESID 25 DATA SEQUENCE TDELVWILGK QHLLKTEKSK LLSDISARLW FTYRRKFSPI GGTGPSSDAG DATA SEQUENCE WGCMLRCGQM MLAQALICRH LGRDWSWEKQ KEQPKEYQRI LQCFLDRKDC DATA SEQUENCE CYSIHQMAQM GVGEGKSIGE WFGPNTVAQV LKKLALFDEW NSLAVYVSMD DATA SEQUENCE NTVVIEDIKK MCRVLPLSAX XXXXXXXXXX XXXXXXXXXX XXCSAWKPLL DATA SEQUENCE LIVPLRLGIN QINPVYVDAF KECFKMPQSL GALGGKPNNA YYFIGFLGDE DATA SEQUENCE LIFLDPHTTQ TFVDTEENGT VNDQTFHCLQ SPQRMNILNL DPSVALGFFC DATA SEQUENCE KEEKDFDNWC SLVQKEILKE NLRMFELVQK HPSHW 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 25 T HA 0.000 nan 4.350 nan 0.000 0.228 25 T C 0.000 174.694 174.700 -0.010 0.000 1.109 25 T CA 0.000 62.096 62.100 -0.006 0.000 1.349 25 T CB 0.000 68.862 68.868 -0.010 0.000 0.612 26 D N 0.375 120.764 120.400 -0.018 0.000 2.723 26 D HA -0.140 4.500 4.640 -0.000 0.000 0.236 26 D C 0.170 176.453 176.300 -0.027 0.000 1.138 26 D CA 1.261 55.245 54.000 -0.026 0.000 0.676 26 D CB -0.906 39.879 40.800 -0.025 0.000 1.069 26 D HN 0.692 nan 8.370 nan 0.000 0.430 27 E N -0.433 119.754 120.200 -0.021 0.000 2.438 27 E HA 0.114 4.463 4.350 -0.000 0.000 0.261 27 E C 0.344 176.914 176.600 -0.050 0.000 1.103 27 E CA -0.443 55.947 56.400 -0.017 0.000 0.959 27 E CB 0.564 30.264 29.700 0.001 0.000 0.958 27 E HN 0.224 nan 8.360 nan 0.000 0.447 28 L N 3.062 124.252 121.223 -0.053 0.000 2.319 28 L HA 0.136 4.476 4.340 -0.000 0.000 0.280 28 L C -0.871 175.879 176.870 -0.201 0.000 1.099 28 L CA -0.050 54.706 54.840 -0.139 0.000 0.828 28 L CB 1.047 43.038 42.059 -0.113 0.000 1.150 28 L HN 0.153 nan 8.230 nan 0.000 0.442 29 V N 4.816 124.559 119.914 -0.286 0.000 2.547 29 V HA 0.402 4.522 4.120 -0.000 0.000 0.299 29 V C -0.818 175.008 176.094 -0.447 0.000 1.040 29 V CA -0.619 61.508 62.300 -0.288 0.000 0.913 29 V CB 1.452 33.187 31.823 -0.146 0.000 0.992 29 V HN 0.761 nan 8.190 nan 0.000 0.449 30 W N 4.282 125.321 121.300 -0.435 0.000 2.529 30 W HA 0.736 5.396 4.660 -0.000 0.000 0.321 30 W C -0.625 175.814 176.519 -0.133 0.000 1.047 30 W CA -0.491 56.680 57.345 -0.289 0.000 1.216 30 W CB 1.544 30.788 29.460 -0.359 0.000 1.357 30 W HN 0.241 nan 8.180 nan 0.000 0.489 31 I N 5.553 126.265 120.570 0.235 0.000 2.468 31 I HA 0.176 4.346 4.170 -0.000 0.000 0.284 31 I C 0.039 176.329 176.117 0.289 0.000 1.038 31 I CA -1.067 60.370 61.300 0.228 0.000 1.083 31 I CB 1.189 39.308 38.000 0.199 0.000 1.223 31 I HN 0.522 nan 8.210 nan 0.000 0.443 32 L N 6.875 128.299 121.223 0.335 0.000 3.795 32 L HA -0.298 4.042 4.340 -0.000 0.000 0.489 32 L C 1.251 178.311 176.870 0.317 0.000 1.259 32 L CA 0.811 55.835 54.840 0.307 0.000 0.765 32 L CB -1.810 40.393 42.059 0.241 0.000 1.519 32 L HN 1.081 nan 8.230 nan 0.000 0.842 33 G N -0.945 108.091 108.800 0.393 0.000 2.184 33 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.264 33 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.264 33 G C 0.314 175.506 174.900 0.486 0.000 0.975 33 G CA 0.746 46.094 45.100 0.414 0.000 0.642 33 G HN 0.476 nan 8.290 nan 0.000 0.536 34 K N 0.882 121.490 120.400 0.345 0.000 2.221 34 K HA 0.471 4.791 4.320 -0.000 0.000 0.258 34 K C 0.400 176.776 176.600 -0.373 0.000 0.944 34 K CA -0.623 55.672 56.287 0.014 0.000 0.823 34 K CB 1.246 33.711 32.500 -0.058 0.000 1.113 34 K HN 0.539 nan 8.250 nan 0.000 0.431 35 Q N 2.796 122.088 119.800 -0.846 0.000 2.222 35 Q HA 0.364 4.703 4.340 -0.000 0.000 0.252 35 Q C -0.807 174.617 176.000 -0.959 0.000 0.926 35 Q CA -0.685 54.385 55.803 -1.222 0.000 0.899 35 Q CB 1.624 29.359 28.738 -1.673 0.000 1.250 35 Q HN 0.515 nan 8.270 nan 0.000 0.441 36 H N 1.865 120.669 119.070 -0.443 0.000 2.806 36 H HA 0.383 4.939 4.556 -0.000 0.000 0.367 36 H C -0.849 174.328 175.328 -0.252 0.000 1.136 36 H CA -0.754 55.131 56.048 -0.271 0.000 1.178 36 H CB 1.614 31.257 29.762 -0.197 0.000 1.718 36 H HN 0.585 nan 8.280 nan 0.000 0.540 37 L N 3.148 124.332 121.223 -0.065 0.000 2.305 37 L HA 0.016 4.356 4.340 -0.000 0.000 0.281 37 L C 1.665 178.501 176.870 -0.057 0.000 1.085 37 L CA -0.427 54.366 54.840 -0.078 0.000 0.813 37 L CB 0.930 42.947 42.059 -0.070 0.000 1.157 37 L HN 0.416 nan 8.230 nan 0.000 0.436 38 L N 3.364 124.549 121.223 -0.063 0.000 1.989 38 L HA -0.199 4.140 4.340 -0.000 0.000 0.211 38 L C 2.421 179.257 176.870 -0.056 0.000 1.071 38 L CA 2.009 56.813 54.840 -0.061 0.000 0.749 38 L CB -0.323 41.704 42.059 -0.053 0.000 0.890 38 L HN 0.530 nan 8.230 nan 0.000 0.431 39 K N -2.032 118.340 120.400 -0.046 0.000 2.063 39 K HA -0.005 4.315 4.320 -0.000 0.000 0.204 39 K C 2.192 178.766 176.600 -0.043 0.000 1.039 39 K CA 1.229 57.491 56.287 -0.042 0.000 0.957 39 K CB -1.148 31.332 32.500 -0.033 0.000 0.764 39 K HN 0.588 nan 8.250 nan 0.000 0.447 40 T N 0.580 115.110 114.554 -0.040 0.000 3.007 40 T HA -0.054 4.296 4.350 -0.000 0.000 0.270 40 T C 0.704 175.380 174.700 -0.040 0.000 1.107 40 T CA 1.172 63.250 62.100 -0.037 0.000 1.118 40 T CB -0.117 68.730 68.868 -0.034 0.000 0.889 40 T HN 0.428 nan 8.240 nan 0.000 0.506 41 E N -0.262 119.912 120.200 -0.044 0.000 2.995 41 E HA 0.219 4.568 4.350 -0.000 0.000 0.203 41 E C 1.212 177.770 176.600 -0.071 0.000 0.980 41 E CA -0.239 56.136 56.400 -0.042 0.000 1.172 41 E CB 0.592 30.285 29.700 -0.011 0.000 1.088 41 E HN 0.306 nan 8.360 nan 0.000 0.463 42 K N 0.671 121.025 120.400 -0.077 0.000 2.063 42 K HA -0.150 4.170 4.320 -0.000 0.000 0.208 42 K C 1.760 178.287 176.600 -0.121 0.000 1.048 42 K CA 1.587 57.815 56.287 -0.097 0.000 0.928 42 K CB 0.127 32.580 32.500 -0.079 0.000 0.713 42 K HN -0.012 nan 8.250 nan 0.000 0.442 43 S N 0.717 116.356 115.700 -0.102 0.000 2.383 43 S HA -0.084 4.386 4.470 -0.000 0.000 0.227 43 S C 1.734 176.254 174.600 -0.132 0.000 1.026 43 S CA 0.843 58.980 58.200 -0.105 0.000 0.981 43 S CB -0.092 63.058 63.200 -0.082 0.000 0.818 43 S HN 0.258 nan 8.310 nan 0.000 0.472 44 K N 1.040 121.359 120.400 -0.135 0.000 2.025 44 K HA -0.009 4.311 4.320 -0.000 0.000 0.207 44 K C 2.144 178.497 176.600 -0.412 0.000 1.049 44 K CA 0.824 57.016 56.287 -0.159 0.000 0.933 44 K CB -0.630 31.849 32.500 -0.035 0.000 0.714 44 K HN 0.278 nan 8.250 nan 0.000 0.438 45 L N 1.842 122.740 121.223 -0.542 0.000 1.971 45 L HA -0.202 4.138 4.340 -0.000 0.000 0.215 45 L C 2.217 178.842 176.870 -0.409 0.000 1.072 45 L CA 1.648 56.050 54.840 -0.730 0.000 0.758 45 L CB -0.763 41.068 42.059 -0.380 0.000 0.889 45 L HN 0.149 nan 8.230 nan 0.000 0.433 46 L N -1.075 119.997 121.223 -0.253 0.000 2.042 46 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 46 L C 2.463 179.255 176.870 -0.131 0.000 1.076 46 L CA 1.623 56.359 54.840 -0.172 0.000 0.749 46 L CB -0.713 41.266 42.059 -0.133 0.000 0.893 46 L HN 0.315 nan 8.230 nan 0.000 0.432 47 S N -0.704 114.922 115.700 -0.123 0.000 2.383 47 S HA -0.202 4.268 4.470 -0.000 0.000 0.227 47 S C 1.574 176.160 174.600 -0.024 0.000 1.026 47 S CA 1.355 59.525 58.200 -0.051 0.000 0.981 47 S CB -0.271 62.886 63.200 -0.071 0.000 0.818 47 S HN 0.437 nan 8.310 nan 0.000 0.472 48 D N 1.509 121.849 120.400 -0.099 0.000 2.144 48 D HA -0.039 4.601 4.640 -0.000 0.000 0.199 48 D C 1.678 177.975 176.300 -0.006 0.000 0.984 48 D CA 0.924 54.907 54.000 -0.030 0.000 0.834 48 D CB -0.243 40.530 40.800 -0.045 0.000 0.955 48 D HN 0.372 nan 8.370 nan 0.000 0.465 49 I N 0.229 120.755 120.570 -0.073 0.000 2.286 49 I HA -0.209 3.961 4.170 -0.000 0.000 0.245 49 I C 2.366 178.437 176.117 -0.076 0.000 1.104 49 I CA 1.201 62.453 61.300 -0.080 0.000 1.397 49 I CB -0.270 37.646 38.000 -0.140 0.000 1.072 49 I HN 0.051 nan 8.210 nan 0.000 0.417 50 S N 1.133 116.806 115.700 -0.045 0.000 2.453 50 S HA 0.015 4.484 4.470 -0.000 0.000 0.231 50 S C 2.109 176.691 174.600 -0.030 0.000 1.005 50 S CA 0.596 58.783 58.200 -0.020 0.000 0.949 50 S CB -0.300 62.962 63.200 0.104 0.000 0.774 50 S HN 0.359 nan 8.310 nan 0.000 0.510 51 A N 2.159 125.026 122.820 0.078 0.000 2.121 51 A HA 0.097 4.417 4.320 -0.000 0.000 0.218 51 A C 1.260 178.924 177.584 0.134 0.000 1.154 51 A CA 0.114 52.199 52.037 0.080 0.000 0.679 51 A CB -0.355 18.721 19.000 0.127 0.000 0.795 51 A HN 0.481 nan 8.150 nan 0.000 0.458 52 R N -0.131 120.413 120.500 0.072 0.000 2.594 52 R HA 0.310 4.650 4.340 -0.000 0.000 0.272 52 R C -0.596 175.629 176.300 -0.124 0.000 1.074 52 R CA -0.326 55.815 56.100 0.068 0.000 1.105 52 R CB 0.193 30.549 30.300 0.093 0.000 1.008 52 R HN 0.294 nan 8.270 nan 0.000 0.472 53 L N 2.391 123.520 121.223 -0.156 0.000 2.410 53 L HA 0.106 4.446 4.340 -0.000 0.000 0.273 53 L C -0.233 176.377 176.870 -0.433 0.000 1.144 53 L CA -0.119 54.443 54.840 -0.464 0.000 0.863 53 L CB 0.270 42.080 42.059 -0.415 0.000 1.140 53 L HN 0.511 nan 8.230 nan 0.000 0.463 54 W N 6.022 126.858 121.300 -0.773 0.000 2.417 54 W HA 0.478 5.138 4.660 -0.000 0.000 0.315 54 W C -1.544 174.572 176.519 -0.673 0.000 1.045 54 W CA -1.197 55.839 57.345 -0.514 0.000 1.221 54 W CB 0.962 30.230 29.460 -0.320 0.000 1.309 54 W HN 0.089 nan 8.180 nan 0.000 0.453 55 F N 4.998 124.821 119.950 -0.212 0.000 2.449 55 F HA 0.452 4.979 4.527 -0.000 0.000 0.342 55 F C 0.866 176.349 175.800 -0.527 0.000 1.127 55 F CA -0.766 57.052 58.000 -0.303 0.000 0.975 55 F CB 1.522 40.426 39.000 -0.160 0.000 1.146 55 F HN 0.228 nan 8.300 nan 0.000 0.444 56 T N -0.923 113.333 114.554 -0.498 0.000 2.938 56 T HA 0.516 4.866 4.350 -0.000 0.000 0.285 56 T C -0.436 174.130 174.700 -0.225 0.000 1.028 56 T CA -0.747 61.034 62.100 -0.532 0.000 1.005 56 T CB 0.766 69.195 68.868 -0.732 0.000 1.157 56 T HN 0.186 nan 8.240 nan 0.000 0.550 57 Y N 1.377 121.537 120.300 -0.233 0.000 2.993 57 Y HA 0.235 4.785 4.550 -0.000 0.000 0.340 57 Y C 1.428 177.272 175.900 -0.093 0.000 1.273 57 Y CA -0.066 57.930 58.100 -0.172 0.000 1.545 57 Y CB 0.107 38.472 38.460 -0.159 0.000 1.275 57 Y HN 0.429 nan 8.280 nan 0.000 0.617 58 R N 2.472 123.090 120.500 0.197 0.000 2.888 58 R HA 0.653 4.993 4.340 -0.000 0.000 0.266 58 R C -0.516 175.835 176.300 0.085 0.000 1.020 58 R CA -1.193 55.036 56.100 0.215 0.000 0.963 58 R CB 2.862 33.405 30.300 0.406 0.000 1.197 58 R HN 0.837 nan 8.270 nan 0.000 0.481 59 R N -0.247 120.257 120.500 0.008 0.000 2.836 59 R HA 0.475 4.814 4.340 -0.000 0.000 0.269 59 R C -0.610 175.602 176.300 -0.146 0.000 1.010 59 R CA -0.889 55.086 56.100 -0.209 0.000 0.930 59 R CB 1.282 31.506 30.300 -0.125 0.000 1.218 59 R HN 0.355 nan 8.270 nan 0.000 0.473 60 K N -0.001 120.240 120.400 -0.265 0.000 3.160 60 K HA -0.157 4.163 4.320 -0.000 0.000 0.280 60 K C -0.594 175.996 176.600 -0.018 0.000 1.154 60 K CA 1.215 57.443 56.287 -0.098 0.000 0.822 60 K CB -2.050 30.479 32.500 0.048 0.000 1.239 60 K HN 0.590 nan 8.250 nan 0.000 0.489 61 F N -0.724 119.173 119.950 -0.087 0.000 2.375 61 F HA 0.550 5.077 4.527 -0.000 0.000 0.317 61 F C 1.131 176.829 175.800 -0.171 0.000 1.124 61 F CA -1.454 56.298 58.000 -0.412 0.000 1.050 61 F CB 0.258 38.895 39.000 -0.606 0.000 1.314 61 F HN -0.106 nan 8.300 nan 0.000 0.511 62 S N 1.617 117.421 115.700 0.172 0.000 2.533 62 S HA 0.282 4.752 4.470 -0.000 0.000 0.282 62 S C -2.439 172.375 174.600 0.358 0.000 1.304 62 S CA -1.135 57.177 58.200 0.186 0.000 1.063 62 S CB -0.294 62.952 63.200 0.076 0.000 0.881 62 S HN 0.390 nan 8.310 nan 0.000 0.493 63 P HA 0.024 nan 4.420 nan 0.000 0.260 63 P C -0.515 176.885 177.300 0.168 0.000 1.172 63 P CA 0.332 63.517 63.100 0.142 0.000 0.760 63 P CB -0.015 31.722 31.700 0.062 0.000 0.773 64 I N 2.887 123.526 120.570 0.115 0.000 2.662 64 I HA 0.035 4.205 4.170 -0.000 0.000 0.285 64 I C 1.626 177.769 176.117 0.043 0.000 1.161 64 I CA 0.967 62.282 61.300 0.023 0.000 1.415 64 I CB -0.587 37.355 38.000 -0.097 0.000 1.385 64 I HN 0.689 nan 8.210 nan 0.000 0.552 65 G N 4.312 113.150 108.800 0.063 0.000 2.153 65 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.252 65 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.252 65 G C 0.998 175.911 174.900 0.022 0.000 0.994 65 G CA 0.333 45.449 45.100 0.026 0.000 0.698 65 G HN 1.501 nan 8.290 nan 0.000 0.521 66 G N -1.774 107.051 108.800 0.041 0.000 2.579 66 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.222 66 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.222 66 G C 1.412 176.324 174.900 0.020 0.000 1.201 66 G CA 1.754 46.872 45.100 0.029 0.000 0.710 66 G HN 2.261 nan 8.290 nan 0.000 0.516 67 T N -0.616 113.942 114.554 0.008 0.000 3.091 67 T HA 0.606 4.956 4.350 -0.000 0.000 0.277 67 T C 1.328 176.021 174.700 -0.012 0.000 0.996 67 T CA 1.137 63.236 62.100 -0.003 0.000 0.897 67 T CB 0.906 69.768 68.868 -0.011 0.000 1.109 67 T HN 1.427 nan 8.240 nan 0.000 0.534 68 G N 2.229 111.025 108.800 -0.006 0.000 2.508 68 G HA2 0.573 4.533 3.960 -0.000 0.000 0.278 68 G HA3 0.573 4.533 3.960 -0.000 0.000 0.278 68 G C -2.667 172.236 174.900 0.007 0.000 1.389 68 G CA -1.589 43.498 45.100 -0.023 0.000 1.050 68 G HN 0.188 nan 8.290 nan 0.000 0.522 69 P HA 0.137 nan 4.420 nan 0.000 0.268 69 P C 0.474 177.823 177.300 0.082 0.000 1.205 69 P CA 0.059 63.217 63.100 0.096 0.000 0.771 69 P CB 1.197 33.076 31.700 0.299 0.000 0.858 70 S N -0.375 115.248 115.700 -0.128 0.000 2.557 70 S HA 0.295 4.765 4.470 -0.000 0.000 0.223 70 S C 0.438 174.307 174.600 -1.218 0.000 0.969 70 S CA -0.163 57.745 58.200 -0.487 0.000 0.927 70 S CB -0.221 62.808 63.200 -0.286 0.000 0.806 70 S HN 0.396 nan 8.310 nan 0.000 0.489 71 S N 1.416 116.699 115.700 -0.696 0.000 2.533 71 S HA 0.370 4.840 4.470 -0.000 0.000 0.271 71 S C -0.891 173.648 174.600 -0.102 0.000 1.143 71 S CA -0.498 57.366 58.200 -0.561 0.000 0.891 71 S CB 1.429 64.424 63.200 -0.341 0.000 1.105 71 S HN 0.363 nan 8.310 nan 0.000 0.468 72 D N 2.442 122.717 120.400 -0.208 0.000 2.349 72 D HA 0.189 4.829 4.640 -0.000 0.000 0.214 72 D C 0.777 176.362 176.300 -1.191 0.000 1.063 72 D CA -0.149 53.261 54.000 -0.984 0.000 0.847 72 D CB -0.077 40.089 40.800 -1.056 0.000 0.933 72 D HN 0.589 nan 8.370 nan 0.000 0.513 73 A N 0.556 122.836 122.820 -0.901 0.000 2.580 73 A HA 0.396 4.716 4.320 -0.000 0.000 0.244 73 A C 1.702 178.769 177.584 -0.862 0.000 1.045 73 A CA 0.929 52.163 52.037 -1.338 0.000 0.761 73 A CB -0.546 18.087 19.000 -0.612 0.000 0.962 73 A HN 0.740 nan 8.150 nan 0.000 0.512 74 G N 1.266 109.532 108.800 -0.890 0.000 2.217 74 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.246 74 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.246 74 G C 0.684 175.665 174.900 0.135 0.000 0.990 74 G CA 0.978 45.996 45.100 -0.137 0.000 0.627 74 G HN 1.779 nan 8.290 nan 0.000 0.522 75 W N -1.244 120.051 121.300 -0.009 0.000 2.576 75 W HA 0.416 5.076 4.660 -0.000 0.000 0.236 75 W C 1.310 177.950 176.519 0.201 0.000 0.989 75 W CA 0.673 58.100 57.345 0.138 0.000 1.254 75 W CB -0.305 29.186 29.460 0.052 0.000 0.857 75 W HN 0.581 nan 8.180 nan 0.000 0.662 76 G N 2.276 110.843 108.800 -0.389 0.000 3.088 76 G HA2 -0.037 3.922 3.960 -0.000 0.000 0.212 76 G HA3 -0.037 3.922 3.960 -0.000 0.000 0.212 76 G C 1.277 176.111 174.900 -0.110 0.000 1.173 76 G CA 1.146 45.987 45.100 -0.431 0.000 0.779 76 G HN 0.345 nan 8.290 nan 0.000 0.540 77 C N -1.323 118.039 119.300 0.103 0.000 2.425 77 C HA 0.042 4.502 4.460 -0.000 0.000 0.277 77 C C 2.517 177.449 174.990 -0.096 0.000 1.280 77 C CA 0.999 59.947 59.018 -0.116 0.000 1.744 77 C CB -0.827 26.779 27.740 -0.222 0.000 1.989 77 C HN 0.344 nan 8.230 nan 0.000 0.491 78 M N 1.257 120.784 119.600 -0.122 0.000 2.229 78 M HA 0.124 4.604 4.480 -0.000 0.000 0.264 78 M C 2.002 178.159 176.300 -0.238 0.000 1.063 78 M CA 1.482 56.633 55.300 -0.248 0.000 1.114 78 M CB -0.856 31.359 32.600 -0.641 0.000 1.387 78 M HN 0.438 nan 8.290 nan 0.000 0.420 79 L N -0.921 120.135 121.223 -0.278 0.000 2.056 79 L HA -0.195 4.145 4.340 -0.000 0.000 0.207 79 L C 2.535 179.315 176.870 -0.149 0.000 1.078 79 L CA 0.829 55.556 54.840 -0.189 0.000 0.749 79 L CB -0.849 41.100 42.059 -0.183 0.000 0.901 79 L HN 0.189 nan 8.230 nan 0.000 0.433 80 R N -0.103 120.302 120.500 -0.159 0.000 2.091 80 R HA -0.148 4.192 4.340 -0.000 0.000 0.238 80 R C 2.307 178.549 176.300 -0.097 0.000 1.136 80 R CA 1.584 57.608 56.100 -0.126 0.000 0.959 80 R CB -1.534 28.662 30.300 -0.173 0.000 0.856 80 R HN 0.417 nan 8.270 nan 0.000 0.437 81 C N -0.454 118.788 119.300 -0.096 0.000 2.446 81 C HA -0.006 4.454 4.460 -0.000 0.000 0.277 81 C C 2.755 177.625 174.990 -0.200 0.000 1.275 81 C CA 0.681 59.648 59.018 -0.084 0.000 1.727 81 C CB -1.449 26.308 27.740 0.028 0.000 2.010 81 C HN 0.638 nan 8.230 nan 0.000 0.486 82 G N -0.160 108.554 108.800 -0.143 0.000 2.440 82 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 82 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 82 G C 1.550 176.337 174.900 -0.187 0.000 1.154 82 G CA 0.757 45.772 45.100 -0.142 0.000 0.767 82 G HN 0.686 nan 8.290 nan 0.000 0.552 83 Q N -0.532 119.157 119.800 -0.185 0.000 2.061 83 Q HA -0.048 4.292 4.340 -0.000 0.000 0.204 83 Q C 2.725 178.486 176.000 -0.398 0.000 0.984 83 Q CA 1.421 57.052 55.803 -0.288 0.000 0.846 83 Q CB -0.238 28.231 28.738 -0.448 0.000 0.902 83 Q HN 0.485 nan 8.270 nan 0.000 0.421 84 M N -0.268 119.194 119.600 -0.231 0.000 2.117 84 M HA -0.178 4.302 4.480 -0.000 0.000 0.262 84 M C 2.351 178.324 176.300 -0.545 0.000 1.065 84 M CA 1.265 56.411 55.300 -0.256 0.000 1.114 84 M CB -0.246 32.211 32.600 -0.238 0.000 1.361 84 M HN 0.334 nan 8.290 nan 0.000 0.408 85 M N 0.300 119.440 119.600 -0.765 0.000 2.132 85 M HA -0.204 4.276 4.480 -0.000 0.000 0.263 85 M C 2.067 178.239 176.300 -0.212 0.000 1.065 85 M CA 1.562 56.561 55.300 -0.502 0.000 1.122 85 M CB -0.094 32.305 32.600 -0.336 0.000 1.365 85 M HN 0.271 nan 8.290 nan 0.000 0.411 86 L N 0.980 122.075 121.223 -0.213 0.000 2.017 86 L HA -0.034 4.305 4.340 -0.000 0.000 0.208 86 L C 2.481 179.293 176.870 -0.095 0.000 1.073 86 L CA 2.282 57.033 54.840 -0.149 0.000 0.745 86 L CB -1.190 40.764 42.059 -0.174 0.000 0.894 86 L HN 0.331 nan 8.230 nan 0.000 0.432 87 A N -0.829 121.881 122.820 -0.184 0.000 1.908 87 A HA -0.313 4.006 4.320 -0.000 0.000 0.218 87 A C 2.281 179.829 177.584 -0.060 0.000 1.181 87 A CA 1.936 53.880 52.037 -0.156 0.000 0.627 87 A CB -0.840 17.911 19.000 -0.416 0.000 0.818 87 A HN 0.619 nan 8.150 nan 0.000 0.445 88 Q N 0.028 119.797 119.800 -0.052 0.000 2.096 88 Q HA -0.090 4.249 4.340 -0.000 0.000 0.204 88 Q C 2.012 177.955 176.000 -0.094 0.000 0.982 88 Q CA 2.438 58.251 55.803 0.016 0.000 0.850 88 Q CB -0.694 28.128 28.738 0.142 0.000 0.901 88 Q HN 0.561 nan 8.270 nan 0.000 0.422 89 A N 0.233 122.946 122.820 -0.179 0.000 1.908 89 A HA -0.143 4.176 4.320 -0.000 0.000 0.218 89 A C 2.154 179.344 177.584 -0.657 0.000 1.181 89 A CA 1.577 53.319 52.037 -0.492 0.000 0.627 89 A CB -0.797 18.018 19.000 -0.307 0.000 0.818 89 A HN 0.466 nan 8.150 nan 0.000 0.445 90 L N -0.431 120.616 121.223 -0.292 0.000 2.027 90 L HA -0.164 4.175 4.340 -0.000 0.000 0.206 90 L C 2.486 179.290 176.870 -0.110 0.000 1.074 90 L CA 0.767 55.509 54.840 -0.164 0.000 0.745 90 L CB -0.610 41.485 42.059 0.059 0.000 0.898 90 L HN 0.301 nan 8.230 nan 0.000 0.433 91 I N 0.013 120.534 120.570 -0.081 0.000 2.118 91 I HA -0.355 3.815 4.170 -0.000 0.000 0.241 91 I C 2.742 178.807 176.117 -0.087 0.000 1.070 91 I CA 1.546 62.795 61.300 -0.086 0.000 1.327 91 I CB -1.167 36.818 38.000 -0.026 0.000 1.034 91 I HN 0.433 nan 8.210 nan 0.000 0.405 92 C N 0.335 119.559 119.300 -0.126 0.000 2.429 92 C HA -0.132 4.328 4.460 -0.000 0.000 0.277 92 C C 2.987 177.930 174.990 -0.078 0.000 1.262 92 C CA 0.415 59.391 59.018 -0.070 0.000 1.733 92 C CB -1.018 26.680 27.740 -0.069 0.000 2.010 92 C HN 0.463 nan 8.230 nan 0.000 0.483 93 R N 0.372 120.665 120.500 -0.346 0.000 2.083 93 R HA -0.126 4.214 4.340 -0.000 0.000 0.237 93 R C 1.973 178.136 176.300 -0.228 0.000 1.137 93 R CA 1.807 57.781 56.100 -0.210 0.000 0.951 93 R CB -0.606 29.439 30.300 -0.424 0.000 0.851 93 R HN 0.652 nan 8.270 nan 0.000 0.434 94 H N -0.955 118.072 119.070 -0.072 0.000 2.476 94 H HA 0.132 4.688 4.556 -0.000 0.000 0.292 94 H C 1.852 177.177 175.328 -0.006 0.000 1.019 94 H CA 0.855 56.883 56.048 -0.033 0.000 1.330 94 H CB 0.442 30.180 29.762 -0.039 0.000 1.451 94 H HN 0.160 nan 8.280 nan 0.000 0.535 95 L N -0.611 120.648 121.223 0.060 0.000 2.672 95 L HA 0.302 4.642 4.340 -0.000 0.000 0.236 95 L C 0.637 177.586 176.870 0.133 0.000 1.092 95 L CA 0.310 55.150 54.840 0.000 0.000 0.887 95 L CB 0.772 42.589 42.059 -0.403 0.000 1.168 95 L HN 0.261 nan 8.230 nan 0.000 0.502 96 G N 1.005 109.885 108.800 0.133 0.000 2.712 96 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.686 96 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.686 96 G C 0.104 175.151 174.900 0.244 0.000 1.321 96 G CA -0.003 45.210 45.100 0.188 0.000 0.813 96 G HN 0.165 nan 8.290 nan 0.000 0.599 97 R N 0.205 120.841 120.500 0.227 0.000 2.120 97 R HA -0.009 4.331 4.340 -0.000 0.000 0.234 97 R C 1.752 178.204 176.300 0.252 0.000 1.123 97 R CA 2.480 58.724 56.100 0.239 0.000 0.975 97 R CB -0.246 30.183 30.300 0.216 0.000 0.866 97 R HN 0.553 nan 8.270 nan 0.000 0.446 98 D N -1.089 119.449 120.400 0.230 0.000 2.355 98 D HA -0.062 4.578 4.640 -0.000 0.000 0.218 98 D C -0.079 176.349 176.300 0.212 0.000 1.004 98 D CA 0.175 54.288 54.000 0.190 0.000 0.880 98 D CB -0.297 40.587 40.800 0.140 0.000 0.911 98 D HN 0.274 nan 8.370 nan 0.000 0.528 99 W N 1.817 123.177 121.300 0.101 0.000 2.170 99 W HA 0.190 4.849 4.660 -0.000 0.000 0.342 99 W C 0.161 176.745 176.519 0.108 0.000 1.294 99 W CA 0.195 57.598 57.345 0.096 0.000 1.246 99 W CB 0.652 30.176 29.460 0.107 0.000 1.156 99 W HN -0.289 nan 8.180 nan 0.000 0.572 100 S N 5.367 120.372 115.700 -1.159 0.000 2.540 100 S HA 0.263 4.733 4.470 -0.000 0.000 0.275 100 S C -0.178 173.491 174.600 -1.551 0.000 1.123 100 S CA -0.721 56.719 58.200 -1.267 0.000 0.907 100 S CB 0.113 63.035 63.200 -0.463 0.000 1.081 100 S HN 0.889 nan 8.310 nan 0.000 0.476 101 W N 3.665 124.045 121.300 -1.533 0.000 2.937 101 W HA 0.333 4.993 4.660 -0.000 0.000 0.245 101 W C 0.725 176.946 176.519 -0.497 0.000 1.306 101 W CA 0.397 57.230 57.345 -0.853 0.000 1.470 101 W CB 0.110 29.239 29.460 -0.551 0.000 1.132 101 W HN 0.739 nan 8.180 nan 0.000 0.675 102 E N 0.507 120.209 120.200 -0.831 0.000 2.476 102 E HA 0.003 4.353 4.350 -0.000 0.000 0.199 102 E C 1.615 177.922 176.600 -0.488 0.000 1.021 102 E CA 0.102 55.980 56.400 -0.869 0.000 0.907 102 E CB 0.199 29.323 29.700 -0.961 0.000 0.974 102 E HN 0.326 nan 8.360 nan 0.000 0.489 103 K N 0.949 121.111 120.400 -0.396 0.000 2.426 103 K HA 0.013 4.333 4.320 -0.000 0.000 0.193 103 K C 0.619 177.108 176.600 -0.185 0.000 1.028 103 K CA 0.377 56.508 56.287 -0.260 0.000 1.047 103 K CB 0.403 32.766 32.500 -0.229 0.000 0.821 103 K HN 0.059 nan 8.250 nan 0.000 0.513 104 Q N -0.357 119.331 119.800 -0.186 0.000 2.435 104 Q HA 0.193 4.533 4.340 -0.000 0.000 0.282 104 Q C -0.309 175.634 176.000 -0.096 0.000 1.020 104 Q CA -0.637 55.105 55.803 -0.102 0.000 0.820 104 Q CB 1.707 30.423 28.738 -0.037 0.000 1.436 104 Q HN -0.147 nan 8.270 nan 0.000 0.395 105 K N 1.008 121.374 120.400 -0.056 0.000 2.029 105 K HA -0.022 4.298 4.320 -0.000 0.000 0.205 105 K C 0.379 176.986 176.600 0.012 0.000 1.042 105 K CA 1.133 57.398 56.287 -0.036 0.000 0.949 105 K CB 0.108 32.591 32.500 -0.029 0.000 0.740 105 K HN 0.731 nan 8.250 nan 0.000 0.442 106 E N 3.242 123.459 120.200 0.029 0.000 2.081 106 E HA -0.021 4.329 4.350 -0.000 0.000 0.270 106 E C -0.881 175.777 176.600 0.097 0.000 1.180 106 E CA 0.061 56.497 56.400 0.060 0.000 0.926 106 E CB 0.435 30.166 29.700 0.051 0.000 1.035 106 E HN 0.190 nan 8.360 nan 0.000 0.418 107 Q N 3.352 123.233 119.800 0.135 0.000 2.352 107 Q HA 0.250 4.590 4.340 -0.000 0.000 0.260 107 Q C -1.947 174.172 176.000 0.198 0.000 0.976 107 Q CA -1.752 54.174 55.803 0.205 0.000 0.881 107 Q CB 0.014 28.930 28.738 0.295 0.000 1.235 107 Q HN 0.417 nan 8.270 nan 0.000 0.419 108 P HA -0.055 nan 4.420 nan 0.000 0.266 108 P C 0.589 177.986 177.300 0.162 0.000 1.195 108 P CA 0.073 63.272 63.100 0.165 0.000 0.768 108 P CB 0.499 32.292 31.700 0.154 0.000 0.838 109 K N 1.838 122.300 120.400 0.103 0.000 2.152 109 K HA -0.234 4.086 4.320 -0.000 0.000 0.206 109 K C 1.078 177.694 176.600 0.026 0.000 1.048 109 K CA 1.611 57.929 56.287 0.052 0.000 0.933 109 K CB -0.312 32.190 32.500 0.003 0.000 0.721 109 K HN 0.243 nan 8.250 nan 0.000 0.447 110 E N 0.509 120.748 120.200 0.065 0.000 2.153 110 E HA -0.198 4.151 4.350 -0.000 0.000 0.194 110 E C 1.735 178.403 176.600 0.112 0.000 0.988 110 E CA 1.251 57.705 56.400 0.089 0.000 0.811 110 E CB -0.376 29.388 29.700 0.106 0.000 0.746 110 E HN 0.466 nan 8.360 nan 0.000 0.466 111 Y N 1.382 121.669 120.300 -0.021 0.000 2.070 111 Y HA -0.314 4.236 4.550 -0.000 0.000 0.280 111 Y C 2.385 178.308 175.900 0.038 0.000 1.148 111 Y CA 2.122 60.202 58.100 -0.034 0.000 1.125 111 Y CB -0.511 37.967 38.460 0.029 0.000 0.975 111 Y HN -0.006 nan 8.280 nan 0.000 0.492 112 Q N 0.628 120.364 119.800 -0.106 0.000 2.084 112 Q HA -0.199 4.141 4.340 -0.000 0.000 0.202 112 Q C 2.530 178.419 176.000 -0.186 0.000 0.978 112 Q CA 2.111 57.792 55.803 -0.202 0.000 0.844 112 Q CB -0.428 28.288 28.738 -0.037 0.000 0.898 112 Q HN 0.525 nan 8.270 nan 0.000 0.426 113 R N -0.528 119.871 120.500 -0.168 0.000 2.081 113 R HA -0.101 4.239 4.340 -0.000 0.000 0.235 113 R C 2.129 178.386 176.300 -0.070 0.000 1.131 113 R CA 1.468 57.419 56.100 -0.248 0.000 0.960 113 R CB -0.294 29.657 30.300 -0.582 0.000 0.856 113 R HN 0.354 nan 8.270 nan 0.000 0.436 114 I N 0.615 121.244 120.570 0.100 0.000 2.099 114 I HA -0.320 3.850 4.170 -0.000 0.000 0.239 114 I C 2.313 178.559 176.117 0.214 0.000 1.066 114 I CA 0.921 62.377 61.300 0.259 0.000 1.324 114 I CB -0.409 37.735 38.000 0.240 0.000 1.037 114 I HN 0.238 nan 8.210 nan 0.000 0.401 115 L N 0.769 121.991 121.223 -0.002 0.000 2.021 115 L HA -0.300 4.039 4.340 -0.000 0.000 0.215 115 L C 2.443 179.320 176.870 0.011 0.000 1.074 115 L CA 1.964 56.783 54.840 -0.035 0.000 0.760 115 L CB -0.827 40.984 42.059 -0.412 0.000 0.889 115 L HN 0.288 nan 8.230 nan 0.000 0.433 116 Q N -1.822 117.926 119.800 -0.086 0.000 2.291 116 Q HA -0.180 4.160 4.340 -0.000 0.000 0.205 116 Q C 2.264 178.193 176.000 -0.118 0.000 0.970 116 Q CA 1.385 57.126 55.803 -0.102 0.000 0.876 116 Q CB -0.331 28.333 28.738 -0.123 0.000 0.935 116 Q HN 0.622 nan 8.270 nan 0.000 0.455 117 C N -0.343 118.863 119.300 -0.156 0.000 2.422 117 C HA -0.097 4.363 4.460 -0.000 0.000 0.286 117 C C 1.457 176.126 174.990 -0.535 0.000 1.412 117 C CA 0.550 59.337 59.018 -0.384 0.000 1.786 117 C CB -0.942 26.522 27.740 -0.459 0.000 1.835 117 C HN 0.411 nan 8.230 nan 0.000 0.533 118 F N -0.337 119.536 119.950 -0.129 0.000 2.661 118 F HA 0.348 4.875 4.527 -0.000 0.000 0.306 118 F C 0.902 176.598 175.800 -0.172 0.000 1.094 118 F CA -0.266 57.569 58.000 -0.275 0.000 1.254 118 F CB -0.291 38.271 39.000 -0.729 0.000 1.040 118 F HN -0.027 nan 8.300 nan 0.000 0.562 119 L N 1.383 122.632 121.223 0.044 0.000 2.467 119 L HA 0.021 4.361 4.340 -0.000 0.000 0.270 119 L C 0.477 177.406 176.870 0.098 0.000 1.205 119 L CA 0.143 55.071 54.840 0.146 0.000 0.828 119 L CB 0.332 42.467 42.059 0.126 0.000 1.101 119 L HN 0.123 nan 8.230 nan 0.000 0.479 120 D N 3.937 124.464 120.400 0.212 0.000 2.688 120 D HA 0.121 4.760 4.640 -0.000 0.000 0.228 120 D C -0.117 175.931 176.300 -0.420 0.000 1.116 120 D CA 0.116 54.036 54.000 -0.133 0.000 1.023 120 D CB 0.027 40.670 40.800 -0.262 0.000 1.100 120 D HN 0.456 nan 8.370 nan 0.000 0.487 121 R N -1.534 118.715 120.500 -0.419 0.000 2.651 121 R HA 0.222 4.562 4.340 -0.000 0.000 0.278 121 R C 0.870 176.827 176.300 -0.571 0.000 1.010 121 R CA -0.976 54.749 56.100 -0.626 0.000 0.896 121 R CB 0.815 30.978 30.300 -0.227 0.000 1.211 121 R HN -0.138 nan 8.270 nan 0.000 0.456 122 K N -0.310 119.714 120.400 -0.626 0.000 2.211 122 K HA -0.154 4.166 4.320 -0.000 0.000 0.204 122 K C 0.900 177.363 176.600 -0.230 0.000 1.047 122 K CA 1.904 57.996 56.287 -0.325 0.000 0.935 122 K CB -0.911 31.467 32.500 -0.204 0.000 0.728 122 K HN 0.866 nan 8.250 nan 0.000 0.452 123 D N -0.446 119.828 120.400 -0.211 0.000 2.349 123 D HA 0.027 4.667 4.640 -0.000 0.000 0.224 123 D C -0.004 176.184 176.300 -0.186 0.000 1.029 123 D CA -0.225 53.673 54.000 -0.169 0.000 0.879 123 D CB -0.985 39.739 40.800 -0.127 0.000 0.906 123 D HN 0.420 nan 8.370 nan 0.000 0.528 124 C N 1.293 120.465 119.300 -0.213 0.000 2.295 124 C HA 0.272 4.732 4.460 -0.000 0.000 0.331 124 C C 2.283 177.081 174.990 -0.320 0.000 1.280 124 C CA -0.989 57.883 59.018 -0.244 0.000 1.746 124 C CB 0.520 28.138 27.740 -0.204 0.000 2.328 124 C HN 0.601 nan 8.230 nan 0.000 0.521 125 C N 0.843 119.877 119.300 -0.444 0.000 2.422 125 C HA -0.072 4.387 4.460 -0.000 0.000 0.279 125 C C 1.236 175.840 174.990 -0.644 0.000 1.305 125 C CA 0.705 59.368 59.018 -0.592 0.000 1.757 125 C CB -1.532 25.762 27.740 -0.743 0.000 1.962 125 C HN 0.842 nan 8.230 nan 0.000 0.499 126 Y N 2.898 122.970 120.300 -0.380 0.000 2.720 126 Y HA 0.337 4.887 4.550 -0.000 0.000 0.277 126 Y C 1.394 177.126 175.900 -0.281 0.000 1.144 126 Y CA -0.575 57.292 58.100 -0.389 0.000 1.221 126 Y CB -0.921 37.109 38.460 -0.717 0.000 1.163 126 Y HN 0.381 nan 8.280 nan 0.000 0.537 127 S N -0.737 114.879 115.700 -0.139 0.000 2.584 127 S HA 0.007 4.477 4.470 -0.000 0.000 0.270 127 S C 1.479 176.043 174.600 -0.059 0.000 1.346 127 S CA -0.547 57.594 58.200 -0.098 0.000 1.018 127 S CB 0.979 64.104 63.200 -0.125 0.000 0.899 127 S HN 0.336 nan 8.310 nan 0.000 0.542 128 I N 1.244 121.756 120.570 -0.096 0.000 2.248 128 I HA -0.209 3.961 4.170 -0.000 0.000 0.248 128 I C 2.040 178.093 176.117 -0.107 0.000 1.107 128 I CA 1.943 63.153 61.300 -0.150 0.000 1.373 128 I CB -0.585 37.213 38.000 -0.337 0.000 1.055 128 I HN 0.804 nan 8.210 nan 0.000 0.418 129 H N 0.030 118.967 119.070 -0.222 0.000 2.290 129 H HA -0.147 4.409 4.556 -0.000 0.000 0.298 129 H C 2.229 177.498 175.328 -0.098 0.000 1.087 129 H CA 1.846 57.807 56.048 -0.145 0.000 1.291 129 H CB -0.405 29.245 29.762 -0.186 0.000 1.369 129 H HN 0.352 nan 8.280 nan 0.000 0.492 130 Q N -0.122 119.682 119.800 0.005 0.000 2.119 130 Q HA -0.082 4.258 4.340 -0.000 0.000 0.201 130 Q C 2.432 178.414 176.000 -0.031 0.000 0.972 130 Q CA 1.075 56.836 55.803 -0.072 0.000 0.847 130 Q CB -0.179 28.466 28.738 -0.155 0.000 0.903 130 Q HN 0.551 nan 8.270 nan 0.000 0.433 131 M N -0.238 119.369 119.600 0.011 0.000 2.099 131 M HA -0.124 4.356 4.480 -0.000 0.000 0.262 131 M C 2.282 178.660 176.300 0.130 0.000 1.067 131 M CA 1.554 56.894 55.300 0.067 0.000 1.124 131 M CB -0.403 32.233 32.600 0.060 0.000 1.353 131 M HN 0.147 nan 8.290 nan 0.000 0.410 132 A N -0.335 122.560 122.820 0.124 0.000 1.902 132 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 132 A C 2.000 179.641 177.584 0.094 0.000 1.181 132 A CA 1.774 53.913 52.037 0.169 0.000 0.623 132 A CB -0.684 18.427 19.000 0.186 0.000 0.818 132 A HN 0.431 nan 8.150 nan 0.000 0.443 133 Q N -1.158 118.663 119.800 0.035 0.000 2.084 133 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 133 Q C 1.940 177.933 176.000 -0.011 0.000 0.978 133 Q CA 2.134 57.934 55.803 -0.004 0.000 0.844 133 Q CB -0.420 28.296 28.738 -0.036 0.000 0.898 133 Q HN 0.512 nan 8.270 nan 0.000 0.426 134 M N -0.696 118.898 119.600 -0.009 0.000 2.229 134 M HA 0.043 4.522 4.480 -0.000 0.000 0.264 134 M C 1.760 178.041 176.300 -0.031 0.000 1.063 134 M CA 1.803 57.091 55.300 -0.019 0.000 1.114 134 M CB -0.881 31.714 32.600 -0.009 0.000 1.387 134 M HN 0.280 nan 8.290 nan 0.000 0.420 135 G N -1.025 107.785 108.800 0.017 0.000 2.442 135 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.219 135 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.219 135 G C 1.462 176.308 174.900 -0.090 0.000 1.141 135 G CA 1.144 46.200 45.100 -0.072 0.000 0.763 135 G HN 0.406 nan 8.290 nan 0.000 0.554 136 V N 1.571 121.471 119.914 -0.023 0.000 2.324 136 V HA -0.135 3.985 4.120 -0.000 0.000 0.250 136 V C 3.095 179.156 176.094 -0.056 0.000 1.060 136 V CA 1.984 64.263 62.300 -0.035 0.000 1.042 136 V CB -1.057 30.750 31.823 -0.026 0.000 0.650 136 V HN 0.450 nan 8.190 nan 0.000 0.450 137 G N -0.489 108.276 108.800 -0.059 0.000 2.498 137 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.219 137 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.219 137 G C 1.233 176.082 174.900 -0.085 0.000 1.119 137 G CA 0.403 45.468 45.100 -0.058 0.000 0.766 137 G HN 0.526 nan 8.290 nan 0.000 0.552 138 E N 0.088 120.208 120.200 -0.133 0.000 2.463 138 E HA 0.192 4.542 4.350 -0.000 0.000 0.193 138 E C 1.604 178.113 176.600 -0.152 0.000 1.041 138 E CA 0.386 56.681 56.400 -0.175 0.000 0.879 138 E CB 0.029 29.550 29.700 -0.299 0.000 0.997 138 E HN 0.383 nan 8.360 nan 0.000 0.478 139 G N 1.783 110.520 108.800 -0.105 0.000 2.137 139 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.237 139 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.237 139 G C 0.040 174.907 174.900 -0.055 0.000 1.002 139 G CA 0.143 45.202 45.100 -0.070 0.000 0.702 139 G HN 0.084 nan 8.290 nan 0.000 0.515 140 K N 1.104 121.466 120.400 -0.064 0.000 2.394 140 K HA 0.627 4.947 4.320 -0.000 0.000 0.260 140 K C 0.462 177.085 176.600 0.039 0.000 0.967 140 K CA -0.304 55.993 56.287 0.017 0.000 0.855 140 K CB 1.385 33.917 32.500 0.055 0.000 1.101 140 K HN 0.125 nan 8.250 nan 0.000 0.433 141 S N 2.442 118.151 115.700 0.015 0.000 2.558 141 S HA 0.057 4.527 4.470 -0.000 0.000 0.291 141 S C 0.528 175.087 174.600 -0.068 0.000 1.306 141 S CA -0.298 57.882 58.200 -0.033 0.000 1.056 141 S CB 0.047 63.213 63.200 -0.056 0.000 0.836 141 S HN 0.412 nan 8.310 nan 0.000 0.504 142 I N 2.833 123.334 120.570 -0.115 0.000 2.742 142 I HA 0.134 4.304 4.170 -0.000 0.000 0.287 142 I C 1.440 177.259 176.117 -0.498 0.000 1.186 142 I CA 1.112 62.277 61.300 -0.225 0.000 1.417 142 I CB -0.187 37.710 38.000 -0.172 0.000 1.377 142 I HN 0.978 nan 8.210 nan 0.000 0.556 143 G N 4.103 112.338 108.800 -0.942 0.000 2.231 143 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.206 143 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.206 143 G C 0.098 174.572 174.900 -0.710 0.000 0.996 143 G CA -0.613 43.558 45.100 -1.548 0.000 0.645 143 G HN 0.578 nan 8.290 nan 0.000 0.498 144 E N -0.361 119.689 120.200 -0.250 0.000 2.313 144 E HA 0.350 4.700 4.350 -0.000 0.000 0.276 144 E C -0.228 176.460 176.600 0.148 0.000 1.031 144 E CA -0.859 55.571 56.400 0.050 0.000 0.857 144 E CB 0.958 30.748 29.700 0.150 0.000 1.040 144 E HN 0.335 nan 8.360 nan 0.000 0.408 145 W N 5.075 126.413 121.300 0.064 0.000 2.190 145 W HA 0.201 4.861 4.660 -0.000 0.000 0.330 145 W C -0.838 175.691 176.519 0.016 0.000 1.299 145 W CA -0.138 57.196 57.345 -0.018 0.000 1.215 145 W CB 0.283 29.781 29.460 0.063 0.000 1.147 145 W HN 0.382 nan 8.180 nan 0.000 0.563 146 F N 3.798 123.426 119.950 -0.538 0.000 2.626 146 F HA 0.843 5.370 4.527 -0.000 0.000 0.311 146 F C 0.244 175.392 175.800 -1.087 0.000 1.088 146 F CA -1.825 55.874 58.000 -0.502 0.000 0.949 146 F CB 0.113 38.999 39.000 -0.190 0.000 1.322 146 F HN 0.501 nan 8.300 nan 0.000 0.461 147 G N 0.141 108.779 108.800 -0.270 0.000 2.588 147 G HA2 0.479 4.439 3.960 -0.000 0.000 0.278 147 G HA3 0.479 4.439 3.960 -0.000 0.000 0.278 147 G C -2.281 172.590 174.900 -0.049 0.000 1.307 147 G CA -1.585 43.398 45.100 -0.195 0.000 1.016 147 G HN 0.484 nan 8.290 nan 0.000 0.503 148 P HA -0.111 nan 4.420 nan 0.000 0.217 148 P C 1.582 178.897 177.300 0.024 0.000 1.150 148 P CA 1.105 64.229 63.100 0.041 0.000 0.832 148 P CB 0.161 31.914 31.700 0.088 0.000 0.787 149 N N -1.041 117.668 118.700 0.016 0.000 2.084 149 N HA -0.132 4.608 4.740 -0.000 0.000 0.190 149 N C 1.498 176.975 175.510 -0.054 0.000 1.030 149 N CA 2.035 55.075 53.050 -0.017 0.000 0.849 149 N CB -0.986 37.490 38.487 -0.018 0.000 1.012 149 N HN -0.030 nan 8.380 nan 0.000 0.423 150 T N -0.331 114.178 114.554 -0.075 0.000 2.674 150 T HA -0.128 4.222 4.350 -0.000 0.000 0.265 150 T C 1.922 176.530 174.700 -0.153 0.000 1.039 150 T CA 1.358 63.326 62.100 -0.220 0.000 1.150 150 T CB -0.764 67.835 68.868 -0.448 0.000 0.864 150 T HN 0.137 nan 8.240 nan 0.000 0.427 151 V N 1.455 121.411 119.914 0.069 0.000 2.490 151 V HA -0.120 3.999 4.120 -0.000 0.000 0.250 151 V C 2.642 178.749 176.094 0.022 0.000 1.061 151 V CA 1.855 64.236 62.300 0.135 0.000 1.064 151 V CB -1.053 30.847 31.823 0.127 0.000 0.670 151 V HN 0.528 nan 8.190 nan 0.000 0.461 152 A N -0.850 121.965 122.820 -0.008 0.000 1.908 152 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 152 A C 2.099 179.655 177.584 -0.046 0.000 1.181 152 A CA 1.881 53.901 52.037 -0.028 0.000 0.627 152 A CB -0.530 18.451 19.000 -0.032 0.000 0.818 152 A HN 0.604 nan 8.150 nan 0.000 0.445 153 Q N -0.392 119.367 119.800 -0.069 0.000 2.119 153 Q HA -0.075 4.265 4.340 -0.000 0.000 0.201 153 Q C 2.317 178.283 176.000 -0.058 0.000 0.972 153 Q CA 1.391 57.146 55.803 -0.080 0.000 0.847 153 Q CB -0.839 27.832 28.738 -0.112 0.000 0.903 153 Q HN 0.484 nan 8.270 nan 0.000 0.433 154 V N 1.299 121.180 119.914 -0.054 0.000 2.295 154 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 154 V C 2.410 178.521 176.094 0.029 0.000 1.049 154 V CA 1.394 63.688 62.300 -0.010 0.000 1.024 154 V CB -0.569 31.276 31.823 0.038 0.000 0.648 154 V HN 0.262 nan 8.190 nan 0.000 0.447 155 L N -0.231 121.001 121.223 0.015 0.000 2.046 155 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 155 L C 2.561 179.446 176.870 0.026 0.000 1.077 155 L CA 2.003 56.847 54.840 0.007 0.000 0.747 155 L CB -0.661 41.374 42.059 -0.039 0.000 0.896 155 L HN 0.319 nan 8.230 nan 0.000 0.432 156 K N 0.665 121.067 120.400 0.004 0.000 2.063 156 K HA -0.214 4.106 4.320 -0.000 0.000 0.208 156 K C 2.130 178.752 176.600 0.035 0.000 1.048 156 K CA 1.532 57.819 56.287 0.000 0.000 0.928 156 K CB 0.079 32.557 32.500 -0.037 0.000 0.713 156 K HN 0.196 nan 8.250 nan 0.000 0.442 157 K N 0.353 120.784 120.400 0.053 0.000 2.062 157 K HA -0.038 4.282 4.320 -0.000 0.000 0.205 157 K C 2.150 178.890 176.600 0.234 0.000 1.051 157 K CA 1.115 57.466 56.287 0.107 0.000 0.941 157 K CB -0.068 32.485 32.500 0.089 0.000 0.719 157 K HN 0.145 nan 8.250 nan 0.000 0.440 158 L N 0.709 122.063 121.223 0.219 0.000 2.131 158 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 158 L C 2.486 179.585 176.870 0.382 0.000 1.092 158 L CA 0.901 55.920 54.840 0.298 0.000 0.759 158 L CB -0.548 41.676 42.059 0.275 0.000 0.903 158 L HN 0.206 nan 8.230 nan 0.000 0.435 159 A N 0.095 123.097 122.820 0.303 0.000 2.019 159 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 159 A C 2.195 179.859 177.584 0.133 0.000 1.164 159 A CA 1.179 53.363 52.037 0.245 0.000 0.644 159 A CB -0.616 18.459 19.000 0.126 0.000 0.805 159 A HN 0.413 nan 8.150 nan 0.000 0.449 160 L N -2.251 119.021 121.223 0.081 0.000 2.265 160 L HA -0.119 4.221 4.340 -0.000 0.000 0.215 160 L C 1.707 178.430 176.870 -0.244 0.000 1.117 160 L CA 0.932 55.699 54.840 -0.122 0.000 0.782 160 L CB -0.405 41.501 42.059 -0.255 0.000 0.914 160 L HN 0.422 nan 8.230 nan 0.000 0.441 161 F N -1.356 118.572 119.950 -0.037 0.000 2.727 161 F HA 0.073 4.600 4.527 -0.000 0.000 0.302 161 F C 0.865 176.611 175.800 -0.089 0.000 1.097 161 F CA -0.183 57.774 58.000 -0.072 0.000 1.330 161 F CB 0.181 39.118 39.000 -0.106 0.000 1.084 161 F HN -0.073 nan 8.300 nan 0.000 0.578 162 D N 0.666 121.115 120.400 0.082 0.000 2.485 162 D HA 0.048 4.688 4.640 -0.000 0.000 0.221 162 D C 1.182 177.532 176.300 0.082 0.000 1.112 162 D CA 0.117 54.151 54.000 0.057 0.000 0.911 162 D CB 0.780 41.633 40.800 0.088 0.000 1.019 162 D HN 0.097 nan 8.370 nan 0.000 0.516 163 E N 3.308 123.557 120.200 0.082 0.000 2.152 163 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 163 E C 1.437 178.135 176.600 0.163 0.000 0.983 163 E CA 0.855 57.305 56.400 0.083 0.000 0.818 163 E CB -0.228 29.506 29.700 0.056 0.000 0.758 163 E HN 0.588 nan 8.360 nan 0.000 0.467 164 W N 1.593 122.899 121.300 0.010 0.000 2.311 164 W HA -0.215 4.445 4.660 -0.000 0.000 0.326 164 W C 1.625 178.203 176.519 0.098 0.000 1.239 164 W CA 2.630 59.999 57.345 0.039 0.000 1.258 164 W CB -1.079 28.390 29.460 0.014 0.000 1.165 164 W HN 0.153 nan 8.180 nan 0.000 0.466 165 N N -0.602 118.075 118.700 -0.038 0.000 2.216 165 N HA -0.112 4.628 4.740 -0.000 0.000 0.183 165 N C 0.694 176.154 175.510 -0.084 0.000 1.017 165 N CA 1.641 54.567 53.050 -0.205 0.000 0.861 165 N CB -0.439 37.983 38.487 -0.107 0.000 0.986 165 N HN -0.024 nan 8.380 nan 0.000 0.428 166 S N -0.053 115.644 115.700 -0.005 0.000 3.628 166 S HA -0.140 4.330 4.470 -0.000 0.000 0.373 166 S C -0.208 174.370 174.600 -0.037 0.000 0.968 166 S CA -0.040 58.151 58.200 -0.016 0.000 1.215 166 S CB -1.430 61.759 63.200 -0.019 0.000 0.912 166 S HN 0.218 nan 8.310 nan 0.000 0.495 167 L N 1.257 122.470 121.223 -0.015 0.000 2.395 167 L HA 0.591 4.931 4.340 -0.000 0.000 0.269 167 L C 0.792 177.627 176.870 -0.058 0.000 1.133 167 L CA -0.133 54.694 54.840 -0.020 0.000 0.812 167 L CB 1.012 43.084 42.059 0.021 0.000 1.125 167 L HN 0.477 nan 8.230 nan 0.000 0.452 168 A N 3.300 126.056 122.820 -0.108 0.000 2.309 168 A HA 0.622 4.942 4.320 -0.000 0.000 0.298 168 A C -0.559 176.980 177.584 -0.075 0.000 1.165 168 A CA -0.395 51.560 52.037 -0.137 0.000 0.821 168 A CB 0.932 19.771 19.000 -0.268 0.000 1.102 168 A HN 0.419 nan 8.150 nan 0.000 0.500 169 V N 2.809 122.694 119.914 -0.049 0.000 2.483 169 V HA 0.309 4.429 4.120 -0.000 0.000 0.297 169 V C -1.149 174.952 176.094 0.012 0.000 1.027 169 V CA -0.368 61.924 62.300 -0.013 0.000 0.855 169 V CB 1.173 32.986 31.823 -0.017 0.000 0.995 169 V HN 0.808 nan 8.190 nan 0.000 0.424 170 Y N 4.813 125.052 120.300 -0.102 0.000 2.328 170 Y HA 0.708 5.258 4.550 -0.000 0.000 0.337 170 Y C -0.575 175.290 175.900 -0.058 0.000 0.966 170 Y CA -0.670 57.373 58.100 -0.094 0.000 1.136 170 Y CB 1.822 40.204 38.460 -0.131 0.000 1.170 170 Y HN 0.405 nan 8.280 nan 0.000 0.470 171 V N 6.637 126.268 119.914 -0.472 0.000 2.357 171 V HA 0.283 4.403 4.120 -0.000 0.000 0.284 171 V C -0.171 175.605 176.094 -0.530 0.000 1.018 171 V CA -0.775 61.323 62.300 -0.336 0.000 0.841 171 V CB 1.113 32.817 31.823 -0.199 0.000 0.991 171 V HN 0.903 nan 8.190 nan 0.000 0.437 172 S N 6.733 122.266 115.700 -0.279 0.000 2.579 172 S HA 0.548 5.018 4.470 -0.000 0.000 0.275 172 S C -0.283 174.262 174.600 -0.091 0.000 1.345 172 S CA -0.467 57.656 58.200 -0.129 0.000 1.031 172 S CB 0.761 64.051 63.200 0.149 0.000 0.892 172 S HN 0.513 nan 8.310 nan 0.000 0.529 173 M N 1.525 121.102 119.600 -0.039 0.000 2.598 173 M HA 0.360 4.840 4.480 -0.000 0.000 0.317 173 M C -0.359 175.965 176.300 0.041 0.000 1.179 173 M CA -0.176 55.118 55.300 -0.011 0.000 0.936 173 M CB 1.151 33.735 32.600 -0.026 0.000 1.713 173 M HN 0.877 nan 8.290 nan 0.000 0.460 174 D N 1.869 122.292 120.400 0.040 0.000 2.708 174 D HA -0.197 4.443 4.640 -0.000 0.000 0.236 174 D C -0.180 176.170 176.300 0.085 0.000 1.146 174 D CA 0.704 54.739 54.000 0.058 0.000 0.662 174 D CB -1.237 39.598 40.800 0.059 0.000 1.059 174 D HN 0.816 nan 8.370 nan 0.000 0.428 175 N N -1.939 116.817 118.700 0.093 0.000 2.708 175 N HA -0.193 4.546 4.740 -0.000 0.000 0.251 175 N C -0.554 175.090 175.510 0.222 0.000 1.123 175 N CA 1.683 54.820 53.050 0.145 0.000 0.739 175 N CB -1.562 37.001 38.487 0.128 0.000 1.113 175 N HN 0.401 nan 8.380 nan 0.000 0.561 176 T N 0.284 114.960 114.554 0.204 0.000 2.840 176 T HA 0.505 4.855 4.350 -0.000 0.000 0.287 176 T C 0.193 175.083 174.700 0.317 0.000 0.991 176 T CA -0.503 61.742 62.100 0.242 0.000 0.964 176 T CB 2.660 71.627 68.868 0.164 0.000 0.954 176 T HN -0.110 nan 8.240 nan 0.000 0.438 177 V N 4.000 124.145 119.914 0.385 0.000 2.394 177 V HA 0.427 4.547 4.120 -0.000 0.000 0.282 177 V C -0.068 176.206 176.094 0.301 0.000 1.031 177 V CA -0.691 61.863 62.300 0.422 0.000 0.881 177 V CB 1.617 33.745 31.823 0.508 0.000 0.982 177 V HN 0.709 nan 8.190 nan 0.000 0.451 178 V N 6.604 126.659 119.914 0.234 0.000 2.328 178 V HA 0.334 4.454 4.120 -0.000 0.000 0.278 178 V C 1.073 177.232 176.094 0.108 0.000 1.021 178 V CA -0.224 62.190 62.300 0.190 0.000 0.838 178 V CB 1.174 33.158 31.823 0.269 0.000 0.999 178 V HN 0.758 nan 8.190 nan 0.000 0.447 179 I N 3.292 123.980 120.570 0.197 0.000 2.127 179 I HA -0.262 3.908 4.170 -0.000 0.000 0.241 179 I C 2.532 178.759 176.117 0.183 0.000 1.075 179 I CA 2.173 63.650 61.300 0.295 0.000 1.334 179 I CB -0.035 38.126 38.000 0.267 0.000 1.040 179 I HN 0.879 nan 8.210 nan 0.000 0.405 180 E N 0.826 121.108 120.200 0.136 0.000 2.150 180 E HA -0.247 4.102 4.350 -0.000 0.000 0.193 180 E C 1.426 178.050 176.600 0.041 0.000 0.985 180 E CA 1.525 57.982 56.400 0.095 0.000 0.814 180 E CB -0.293 29.463 29.700 0.093 0.000 0.752 180 E HN 0.419 nan 8.360 nan 0.000 0.466 181 D N 1.075 121.505 120.400 0.050 0.000 2.144 181 D HA -0.091 4.549 4.640 -0.000 0.000 0.200 181 D C 2.062 178.314 176.300 -0.080 0.000 0.978 181 D CA 0.951 54.967 54.000 0.027 0.000 0.833 181 D CB -0.141 40.767 40.800 0.179 0.000 0.961 181 D HN 0.306 nan 8.370 nan 0.000 0.470 182 I N 0.836 121.265 120.570 -0.234 0.000 2.202 182 I HA -0.231 3.939 4.170 -0.000 0.000 0.242 182 I C 2.253 178.127 176.117 -0.404 0.000 1.091 182 I CA 1.071 62.095 61.300 -0.460 0.000 1.368 182 I CB -0.034 37.461 38.000 -0.843 0.000 1.058 182 I HN -0.068 nan 8.210 nan 0.000 0.410 183 K N 0.739 121.026 120.400 -0.188 0.000 2.097 183 K HA -0.178 4.142 4.320 -0.000 0.000 0.206 183 K C 2.080 178.598 176.600 -0.137 0.000 1.049 183 K CA 1.185 57.435 56.287 -0.062 0.000 0.933 183 K CB -0.133 32.466 32.500 0.165 0.000 0.717 183 K HN 0.320 nan 8.250 nan 0.000 0.442 184 K N 0.625 120.960 120.400 -0.109 0.000 2.057 184 K HA -0.081 4.239 4.320 -0.000 0.000 0.207 184 K C 2.147 178.646 176.600 -0.168 0.000 1.049 184 K CA 1.133 57.356 56.287 -0.107 0.000 0.931 184 K CB -0.092 32.364 32.500 -0.073 0.000 0.714 184 K HN 0.143 nan 8.250 nan 0.000 0.440 185 M N 0.135 119.607 119.600 -0.213 0.000 2.229 185 M HA -0.175 4.305 4.480 -0.000 0.000 0.264 185 M C 1.697 177.774 176.300 -0.373 0.000 1.063 185 M CA 1.400 56.556 55.300 -0.240 0.000 1.114 185 M CB 0.071 32.551 32.600 -0.200 0.000 1.387 185 M HN 0.215 nan 8.290 nan 0.000 0.420 186 C N -0.689 118.255 119.300 -0.593 0.000 2.611 186 C HA 0.209 4.669 4.460 -0.000 0.000 0.282 186 C C 0.989 175.583 174.990 -0.661 0.000 1.321 186 C CA -0.430 58.017 59.018 -0.952 0.000 1.747 186 C CB -0.658 25.803 27.740 -2.131 0.000 2.124 186 C HN 0.325 nan 8.230 nan 0.000 0.531 187 R N 1.257 121.537 120.500 -0.366 0.000 2.347 187 R HA 0.388 4.728 4.340 -0.000 0.000 0.304 187 R C -0.475 175.763 176.300 -0.103 0.000 1.072 187 R CA 0.200 56.231 56.100 -0.114 0.000 0.980 187 R CB 0.833 31.130 30.300 -0.005 0.000 0.986 187 R HN 0.244 nan 8.270 nan 0.000 0.448 188 V N 5.445 125.324 119.914 -0.059 0.000 2.459 188 V HA 0.369 4.489 4.120 -0.000 0.000 0.295 188 V C -0.075 176.008 176.094 -0.018 0.000 1.029 188 V CA -0.926 61.344 62.300 -0.050 0.000 0.874 188 V CB 1.244 33.033 31.823 -0.057 0.000 0.985 188 V HN 0.639 nan 8.190 nan 0.000 0.438 189 L N 7.181 128.392 121.223 -0.021 0.000 2.506 189 L HA 0.247 4.587 4.340 -0.000 0.000 0.281 189 L C -1.835 175.033 176.870 -0.003 0.000 1.228 189 L CA -1.105 53.729 54.840 -0.010 0.000 0.850 189 L CB -0.116 41.934 42.059 -0.016 0.000 1.110 189 L HN 0.528 nan 8.230 nan 0.000 0.496 190 P HA -0.034 nan 4.420 nan 0.000 0.267 190 P C 0.503 177.804 177.300 0.003 0.000 1.200 190 P CA -0.370 62.734 63.100 0.007 0.000 0.772 190 P CB 0.508 32.214 31.700 0.009 0.000 0.855 191 L N 0.399 121.625 121.223 0.005 0.000 2.072 191 L HA -0.008 4.332 4.340 -0.000 0.000 0.205 191 L C 1.187 178.058 176.870 0.003 0.000 1.079 191 L CA 1.826 56.668 54.840 0.002 0.000 0.752 191 L CB -1.303 40.759 42.059 0.006 0.000 0.906 191 L HN 0.353 nan 8.230 nan 0.000 0.436 192 S N -0.863 114.840 115.700 0.005 0.000 2.472 192 S HA 0.699 5.168 4.470 -0.000 0.000 0.303 192 S C 0.223 174.826 174.600 0.005 0.000 1.099 192 S CA -0.580 57.623 58.200 0.005 0.000 1.077 192 S CB 1.491 64.695 63.200 0.007 0.000 1.031 192 S HN 0.295 nan 8.310 nan 0.000 0.487 218 S N 2.121 117.843 115.700 0.038 0.000 2.510 218 S HA 0.562 5.032 4.470 -0.000 0.000 0.279 218 S C 0.469 175.111 174.600 0.071 0.000 1.284 218 S CA 0.000 58.228 58.200 0.047 0.000 1.059 218 S CB 0.642 63.874 63.200 0.054 0.000 0.901 218 S HN 1.011 nan 8.310 nan 0.000 0.491 219 A N 4.129 126.988 122.820 0.065 0.000 2.264 219 A HA 0.598 4.918 4.320 -0.000 0.000 0.304 219 A C -0.676 176.997 177.584 0.148 0.000 1.100 219 A CA -0.628 51.465 52.037 0.093 0.000 0.839 219 A CB 0.597 19.631 19.000 0.055 0.000 1.121 219 A HN 0.889 nan 8.150 nan 0.000 0.496 220 W N 2.021 123.300 121.300 -0.036 0.000 2.538 220 W HA 0.392 5.051 4.660 -0.000 0.000 0.322 220 W C -1.090 175.391 176.519 -0.063 0.000 1.028 220 W CA -0.721 56.591 57.345 -0.054 0.000 1.228 220 W CB 1.112 30.539 29.460 -0.055 0.000 1.356 220 W HN 0.689 nan 8.180 nan 0.000 0.452 221 K N 6.906 127.084 120.400 -0.369 0.000 2.383 221 K HA 0.135 4.455 4.320 -0.000 0.000 0.286 221 K C -2.144 174.282 176.600 -0.291 0.000 1.051 221 K CA -1.274 54.840 56.287 -0.289 0.000 0.974 221 K CB 0.277 32.579 32.500 -0.329 0.000 0.968 221 K HN 0.096 nan 8.250 nan 0.000 0.475 222 P HA -0.115 nan 4.420 nan 0.000 0.264 222 P C -0.946 176.353 177.300 -0.001 0.000 1.183 222 P CA -0.075 63.070 63.100 0.075 0.000 0.763 222 P CB 0.382 32.194 31.700 0.187 0.000 0.807 223 L N 5.315 126.510 121.223 -0.047 0.000 2.287 223 L HA 0.466 4.806 4.340 -0.000 0.000 0.287 223 L C -1.080 175.823 176.870 0.056 0.000 1.022 223 L CA -0.773 54.024 54.840 -0.072 0.000 0.814 223 L CB 0.954 42.934 42.059 -0.131 0.000 1.217 223 L HN 0.125 nan 8.230 nan 0.000 0.420 224 L N 6.472 127.752 121.223 0.095 0.000 2.260 224 L HA 0.477 4.816 4.340 -0.000 0.000 0.289 224 L C -1.249 175.654 176.870 0.056 0.000 1.057 224 L CA 0.118 55.034 54.840 0.127 0.000 0.811 224 L CB 0.873 42.985 42.059 0.087 0.000 1.184 224 L HN 0.714 nan 8.230 nan 0.000 0.429 225 L N 6.858 128.114 121.223 0.055 0.000 2.294 225 L HA 0.568 4.908 4.340 -0.000 0.000 0.283 225 L C -1.023 175.905 176.870 0.097 0.000 1.015 225 L CA -0.360 54.508 54.840 0.048 0.000 0.831 225 L CB 0.939 42.921 42.059 -0.128 0.000 1.217 225 L HN 0.653 nan 8.230 nan 0.000 0.420 226 I N 5.179 125.803 120.570 0.090 0.000 2.404 226 I HA 0.350 4.520 4.170 -0.000 0.000 0.293 226 I C -0.559 175.589 176.117 0.051 0.000 0.992 226 I CA -0.741 60.589 61.300 0.048 0.000 1.149 226 I CB 2.070 40.075 38.000 0.009 0.000 1.315 226 I HN 0.194 nan 8.210 nan 0.000 0.446 227 V N 7.355 127.287 119.914 0.031 0.000 2.289 227 V HA 0.293 4.413 4.120 -0.000 0.000 0.272 227 V C -2.418 173.671 176.094 -0.008 0.000 1.026 227 V CA -1.719 60.574 62.300 -0.012 0.000 0.807 227 V CB 0.848 32.583 31.823 -0.146 0.000 1.044 227 V HN 0.544 nan 8.190 nan 0.000 0.443 228 P HA 0.374 nan 4.420 nan 0.000 0.271 228 P C -0.700 176.610 177.300 0.015 0.000 1.220 228 P CA 0.245 63.354 63.100 0.016 0.000 0.768 228 P CB 0.729 32.433 31.700 0.007 0.000 0.848 229 L N 2.511 123.744 121.223 0.017 0.000 2.424 229 L HA 0.648 4.988 4.340 -0.000 0.000 0.258 229 L C 0.018 176.875 176.870 -0.021 0.000 0.995 229 L CA -1.046 53.791 54.840 -0.005 0.000 0.821 229 L CB 2.576 44.626 42.059 -0.015 0.000 1.383 229 L HN 0.119 nan 8.230 nan 0.000 0.410 230 R N 1.469 121.945 120.500 -0.040 0.000 2.371 230 R HA 0.433 4.773 4.340 -0.000 0.000 0.312 230 R C -0.656 175.599 176.300 -0.074 0.000 0.980 230 R CA -0.374 55.706 56.100 -0.032 0.000 0.867 230 R CB 0.811 31.112 30.300 0.002 0.000 1.163 230 R HN 0.468 nan 8.270 nan 0.000 0.492 231 L N 2.647 123.821 121.223 -0.083 0.000 2.629 231 L HA 0.531 4.871 4.340 -0.000 0.000 0.230 231 L C 0.514 177.450 176.870 0.108 0.000 1.151 231 L CA 0.510 55.305 54.840 -0.075 0.000 0.924 231 L CB 0.064 42.045 42.059 -0.130 0.000 1.137 231 L HN 0.872 nan 8.230 nan 0.000 0.457 232 G N -2.001 106.843 108.800 0.073 0.000 2.328 232 G HA2 0.208 4.168 3.960 -0.000 0.000 0.299 232 G HA3 0.208 4.168 3.960 -0.000 0.000 0.299 232 G C 0.364 175.296 174.900 0.052 0.000 1.435 232 G CA -0.592 44.560 45.100 0.087 0.000 0.865 232 G HN -0.090 nan 8.290 nan 0.000 0.601 233 I N -0.159 120.440 120.570 0.048 0.000 2.141 233 I HA -0.032 4.138 4.170 -0.000 0.000 0.236 233 I C 2.187 178.323 176.117 0.031 0.000 1.071 233 I CA 1.671 62.993 61.300 0.037 0.000 1.345 233 I CB -0.089 37.931 38.000 0.033 0.000 1.066 233 I HN 0.555 nan 8.210 nan 0.000 0.406 234 N N -1.272 117.444 118.700 0.027 0.000 2.397 234 N HA 0.058 4.798 4.740 -0.000 0.000 0.190 234 N C 0.041 175.563 175.510 0.020 0.000 1.099 234 N CA -0.163 52.901 53.050 0.023 0.000 0.876 234 N CB 0.513 39.011 38.487 0.019 0.000 1.143 234 N HN 0.368 nan 8.380 nan 0.000 0.468 235 Q N 0.437 120.249 119.800 0.020 0.000 2.484 235 Q HA 0.417 4.757 4.340 -0.000 0.000 0.285 235 Q C -0.968 175.041 176.000 0.015 0.000 1.097 235 Q CA -0.793 55.019 55.803 0.015 0.000 0.802 235 Q CB 1.745 30.491 28.738 0.014 0.000 1.444 235 Q HN -0.008 nan 8.270 nan 0.000 0.429 236 I N 2.419 122.989 120.570 -0.001 0.000 2.668 236 I HA -0.042 4.128 4.170 -0.000 0.000 0.285 236 I C 0.527 176.663 176.117 0.031 0.000 1.168 236 I CA -0.073 61.229 61.300 0.003 0.000 1.424 236 I CB 0.077 38.042 38.000 -0.059 0.000 1.377 236 I HN 0.587 nan 8.210 nan 0.000 0.560 237 N N 9.327 128.077 118.700 0.083 0.000 2.475 237 N HA 0.085 4.824 4.740 -0.000 0.000 0.267 237 N C -1.704 173.773 175.510 -0.055 0.000 1.169 237 N CA -1.550 51.503 53.050 0.005 0.000 0.947 237 N CB 1.435 39.906 38.487 -0.026 0.000 1.061 237 N HN 0.251 nan 8.380 nan 0.000 0.466 238 P HA -0.200 nan 4.420 nan 0.000 0.218 238 P C 1.409 178.639 177.300 -0.116 0.000 1.146 238 P CA 1.105 64.168 63.100 -0.063 0.000 0.820 238 P CB 0.097 31.765 31.700 -0.053 0.000 0.778 239 V N -4.726 115.034 119.914 -0.257 0.000 2.720 239 V HA -0.197 3.923 4.120 -0.000 0.000 0.256 239 V C 1.459 177.346 176.094 -0.346 0.000 1.082 239 V CA 1.621 63.704 62.300 -0.362 0.000 1.101 239 V CB -1.856 29.650 31.823 -0.528 0.000 0.693 239 V HN 0.060 nan 8.190 nan 0.000 0.479 240 Y N -0.664 119.639 120.300 0.005 0.000 2.457 240 Y HA 0.431 4.981 4.550 -0.000 0.000 0.263 240 Y C 2.252 178.189 175.900 0.061 0.000 1.164 240 Y CA -0.129 57.985 58.100 0.024 0.000 1.274 240 Y CB -0.387 38.076 38.460 0.005 0.000 1.097 240 Y HN 0.068 nan 8.280 nan 0.000 0.523 241 V N 0.050 120.045 119.914 0.135 0.000 2.295 241 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 241 V C 1.765 177.925 176.094 0.110 0.000 1.049 241 V CA 2.230 64.608 62.300 0.130 0.000 1.024 241 V CB -0.296 31.561 31.823 0.056 0.000 0.648 241 V HN 0.257 nan 8.190 nan 0.000 0.447 242 D N 0.309 120.743 120.400 0.055 0.000 2.117 242 D HA -0.107 4.533 4.640 -0.000 0.000 0.197 242 D C 2.189 178.512 176.300 0.038 0.000 0.987 242 D CA 1.640 55.647 54.000 0.012 0.000 0.829 242 D CB -0.366 40.438 40.800 0.006 0.000 0.961 242 D HN 0.424 nan 8.370 nan 0.000 0.460 243 A N 0.133 123.016 122.820 0.104 0.000 1.898 243 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 243 A C 2.065 179.781 177.584 0.219 0.000 1.181 243 A CA 0.793 52.906 52.037 0.127 0.000 0.620 243 A CB -0.905 18.181 19.000 0.142 0.000 0.819 243 A HN 0.206 nan 8.150 nan 0.000 0.442 244 F N 1.034 121.045 119.950 0.101 0.000 2.069 244 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 244 F C 2.149 178.041 175.800 0.154 0.000 1.113 244 F CA 2.081 60.159 58.000 0.130 0.000 1.214 244 F CB -0.430 38.645 39.000 0.125 0.000 0.978 244 F HN 0.160 nan 8.300 nan 0.000 0.474 245 K N -0.197 120.179 120.400 -0.040 0.000 2.074 245 K HA -0.206 4.114 4.320 -0.000 0.000 0.209 245 K C 1.931 178.479 176.600 -0.087 0.000 1.048 245 K CA 1.640 57.688 56.287 -0.397 0.000 0.926 245 K CB -0.316 31.688 32.500 -0.828 0.000 0.713 245 K HN 0.217 nan 8.250 nan 0.000 0.444 246 E N 0.561 120.737 120.200 -0.040 0.000 2.130 246 E HA -0.207 4.142 4.350 -0.000 0.000 0.196 246 E C 2.167 178.787 176.600 0.034 0.000 0.998 246 E CA 0.984 57.371 56.400 -0.022 0.000 0.806 246 E CB -0.582 29.106 29.700 -0.020 0.000 0.738 246 E HN 0.349 nan 8.360 nan 0.000 0.459 247 C N 0.146 119.493 119.300 0.078 0.000 2.413 247 C HA -0.146 4.314 4.460 -0.000 0.000 0.276 247 C C 2.452 177.458 174.990 0.026 0.000 1.248 247 C CA 0.491 59.590 59.018 0.135 0.000 1.742 247 C CB -1.435 26.329 27.740 0.039 0.000 2.017 247 C HN 0.313 nan 8.230 nan 0.000 0.481 248 F N 1.390 121.367 119.950 0.044 0.000 2.502 248 F HA -0.050 4.476 4.527 -0.000 0.000 0.298 248 F C 2.248 178.094 175.800 0.076 0.000 1.111 248 F CA 1.072 59.134 58.000 0.103 0.000 1.445 248 F CB -0.449 38.677 39.000 0.210 0.000 1.081 248 F HN 0.285 nan 8.300 nan 0.000 0.558 249 K N -0.154 120.245 120.400 -0.002 0.000 2.400 249 K HA 0.119 4.439 4.320 -0.000 0.000 0.194 249 K C 0.538 177.036 176.600 -0.171 0.000 1.033 249 K CA 0.330 56.293 56.287 -0.541 0.000 1.021 249 K CB -0.007 31.858 32.500 -1.059 0.000 0.808 249 K HN 0.280 nan 8.250 nan 0.000 0.505 250 M N 1.928 121.570 119.600 0.070 0.000 2.217 250 M HA 0.077 4.557 4.480 -0.000 0.000 0.354 250 M C -1.750 174.707 176.300 0.263 0.000 1.225 250 M CA -1.777 53.630 55.300 0.178 0.000 1.137 250 M CB 0.521 33.298 32.600 0.296 0.000 1.576 250 M HN -0.234 nan 8.290 nan 0.000 0.461 251 P HA -0.130 nan 4.420 nan 0.000 0.220 251 P C 0.545 178.020 177.300 0.292 0.000 1.148 251 P CA 1.223 64.474 63.100 0.252 0.000 0.803 251 P CB 0.144 31.963 31.700 0.198 0.000 0.782 252 Q N -0.954 119.055 119.800 0.349 0.000 2.451 252 Q HA 0.062 4.402 4.340 -0.000 0.000 0.206 252 Q C 0.829 177.111 176.000 0.469 0.000 0.947 252 Q CA 0.215 56.256 55.803 0.396 0.000 0.937 252 Q CB -0.553 28.414 28.738 0.382 0.000 1.025 252 Q HN 0.063 nan 8.270 nan 0.000 0.511 253 S N 0.271 116.229 115.700 0.430 0.000 2.516 253 S HA 0.100 4.570 4.470 -0.000 0.000 0.282 253 S C 0.433 175.110 174.600 0.127 0.000 1.286 253 S CA -0.224 58.105 58.200 0.215 0.000 1.066 253 S CB 0.230 63.523 63.200 0.156 0.000 0.884 253 S HN 0.392 nan 8.310 nan 0.000 0.491 254 L N 5.412 126.629 121.223 -0.010 0.000 2.700 254 L HA 0.348 4.687 4.340 -0.000 0.000 0.234 254 L C 1.507 178.460 176.870 0.139 0.000 1.156 254 L CA 0.142 55.047 54.840 0.109 0.000 0.946 254 L CB -1.069 41.053 42.059 0.106 0.000 1.216 254 L HN 1.056 nan 8.230 nan 0.000 0.493 255 G N 0.903 109.666 108.800 -0.062 0.000 2.498 255 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.245 255 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.245 255 G C -0.405 174.442 174.900 -0.087 0.000 1.204 255 G CA -0.182 44.896 45.100 -0.036 0.000 0.933 255 G HN 0.630 nan 8.290 nan 0.000 0.574 256 A N -1.410 121.588 122.820 0.296 0.000 2.574 256 A HA 0.758 5.077 4.320 -0.000 0.000 0.297 256 A C -0.608 177.337 177.584 0.602 0.000 1.062 256 A CA -0.277 51.983 52.037 0.371 0.000 0.686 256 A CB 1.189 20.450 19.000 0.435 0.000 1.285 256 A HN 1.406 nan 8.150 nan 0.000 0.403 257 L N 1.307 122.798 121.223 0.445 0.000 2.325 257 L HA 0.796 5.136 4.340 -0.000 0.000 0.279 257 L C 0.816 177.969 176.870 0.472 0.000 1.054 257 L CA -0.033 55.061 54.840 0.423 0.000 0.804 257 L CB 1.628 43.824 42.059 0.228 0.000 1.200 257 L HN 1.067 nan 8.230 nan 0.000 0.436 258 G N 0.439 109.569 108.800 0.549 0.000 2.489 258 G HA2 0.643 4.603 3.960 -0.000 0.000 0.305 258 G HA3 0.643 4.603 3.960 -0.000 0.000 0.305 258 G C -0.845 174.349 174.900 0.490 0.000 1.311 258 G CA -0.058 45.365 45.100 0.538 0.000 0.813 258 G HN 0.972 nan 8.290 nan 0.000 0.480 259 G N -1.095 107.941 108.800 0.394 0.000 2.515 259 G HA2 0.265 4.225 3.960 -0.000 0.000 0.686 259 G HA3 0.265 4.225 3.960 -0.000 0.000 0.686 259 G C -0.511 174.470 174.900 0.136 0.000 1.274 259 G CA -0.262 44.963 45.100 0.209 0.000 0.874 259 G HN 0.637 nan 8.290 nan 0.000 0.631 260 K N 0.917 121.310 120.400 -0.012 0.000 2.230 260 K HA 0.360 4.680 4.320 -0.000 0.000 0.253 260 K C -2.110 174.224 176.600 -0.442 0.000 1.008 260 K CA -1.075 55.132 56.287 -0.134 0.000 0.910 260 K CB 0.316 32.733 32.500 -0.138 0.000 0.994 260 K HN 0.254 nan 8.250 nan 0.000 0.495 261 P HA -0.083 nan 4.420 nan 0.000 0.261 261 P C -0.784 175.771 177.300 -1.242 0.000 1.173 261 P CA 0.791 62.854 63.100 -1.729 0.000 0.760 261 P CB 0.156 31.320 31.700 -0.894 0.000 0.783 262 N N 0.696 118.358 118.700 -1.728 0.000 2.778 262 N HA -0.200 4.540 4.740 -0.000 0.000 0.249 262 N C -0.346 175.068 175.510 -0.160 0.000 1.069 262 N CA 0.781 53.498 53.050 -0.554 0.000 0.831 262 N CB -1.461 36.861 38.487 -0.274 0.000 1.142 262 N HN 0.523 nan 8.380 nan 0.000 0.573 263 N N -0.458 118.090 118.700 -0.255 0.000 2.646 263 N HA 0.319 5.059 4.740 -0.000 0.000 0.296 263 N C -0.815 174.408 175.510 -0.479 0.000 1.886 263 N CA 0.058 52.888 53.050 -0.368 0.000 0.855 263 N CB 0.907 39.169 38.487 -0.376 0.000 1.336 263 N HN 0.281 nan 8.380 nan 0.000 0.496 264 A N 0.774 123.560 122.820 -0.056 0.000 2.354 264 A HA 0.610 4.930 4.320 -0.000 0.000 0.269 264 A C -0.983 176.420 177.584 -0.301 0.000 1.109 264 A CA 0.212 52.228 52.037 -0.035 0.000 0.800 264 A CB 0.348 19.508 19.000 0.268 0.000 1.045 264 A HN 0.260 nan 8.150 nan 0.000 0.489 265 Y N -0.360 119.956 120.300 0.027 0.000 2.545 265 Y HA 0.437 4.987 4.550 -0.000 0.000 0.348 265 Y C -0.671 175.114 175.900 -0.192 0.000 1.002 265 Y CA -1.059 56.905 58.100 -0.226 0.000 1.039 265 Y CB 1.449 39.385 38.460 -0.874 0.000 1.271 265 Y HN 0.625 nan 8.280 nan 0.000 0.467 266 Y N 3.210 123.501 120.300 -0.014 0.000 2.504 266 Y HA 0.486 5.036 4.550 -0.000 0.000 0.339 266 Y C -1.510 174.416 175.900 0.043 0.000 0.974 266 Y CA -2.205 55.928 58.100 0.055 0.000 1.232 266 Y CB -0.306 38.232 38.460 0.130 0.000 1.108 266 Y HN 0.425 nan 8.280 nan 0.000 0.509 267 F N 7.470 127.561 119.950 0.236 0.000 2.445 267 F HA 0.221 4.748 4.527 -0.000 0.000 0.359 267 F C 1.248 177.052 175.800 0.006 0.000 1.101 267 F CA -0.301 57.812 58.000 0.188 0.000 1.177 267 F CB 0.686 39.920 39.000 0.389 0.000 1.110 267 F HN 0.561 nan 8.300 nan 0.000 0.522 268 I N -0.401 120.194 120.570 0.043 0.000 4.288 268 I HA 0.674 4.844 4.170 -0.000 0.000 0.331 268 I C 0.736 176.939 176.117 0.142 0.000 1.322 268 I CA 0.070 61.364 61.300 -0.009 0.000 1.149 268 I CB 0.366 38.255 38.000 -0.184 0.000 1.112 268 I HN 0.581 nan 8.210 nan 0.000 0.403 269 G N 1.721 110.453 108.800 -0.114 0.000 2.348 269 G HA2 0.470 4.430 3.960 -0.000 0.000 0.296 269 G HA3 0.470 4.430 3.960 -0.000 0.000 0.296 269 G C -1.841 172.882 174.900 -0.294 0.000 1.258 269 G CA -0.241 44.718 45.100 -0.234 0.000 0.868 269 G HN 0.350 nan 8.290 nan 0.000 0.488 270 F N -1.501 118.307 119.950 -0.237 0.000 2.693 270 F HA 0.865 5.392 4.527 -0.000 0.000 0.309 270 F C -1.906 173.900 175.800 0.009 0.000 1.129 270 F CA -1.355 56.554 58.000 -0.151 0.000 0.948 270 F CB 1.950 40.814 39.000 -0.227 0.000 1.315 270 F HN 0.615 nan 8.300 nan 0.000 0.447 271 L N 3.262 124.555 121.223 0.117 0.000 2.439 271 L HA 0.661 5.001 4.340 -0.000 0.000 0.270 271 L C 0.487 177.496 176.870 0.231 0.000 0.972 271 L CA 0.229 55.109 54.840 0.067 0.000 0.836 271 L CB 1.313 43.374 42.059 0.004 0.000 1.255 271 L HN 1.391 nan 8.230 nan 0.000 0.404 272 G N 4.099 113.075 108.800 0.293 0.000 2.660 272 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.321 272 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.321 272 G C 0.344 175.390 174.900 0.243 0.000 1.246 272 G CA 0.638 45.885 45.100 0.244 0.000 1.000 272 G HN 0.699 nan 8.290 nan 0.000 0.550 273 D N 2.700 123.189 120.400 0.149 0.000 2.388 273 D HA 0.259 4.899 4.640 -0.000 0.000 0.221 273 D C 0.552 176.921 176.300 0.115 0.000 1.133 273 D CA 0.395 54.461 54.000 0.109 0.000 0.831 273 D CB 0.245 41.091 40.800 0.077 0.000 0.962 273 D HN 0.567 nan 8.370 nan 0.000 0.502 274 E N 0.434 120.722 120.200 0.148 0.000 2.199 274 E HA 0.418 4.768 4.350 -0.000 0.000 0.269 274 E C -0.246 176.455 176.600 0.169 0.000 0.899 274 E CA -0.630 55.856 56.400 0.143 0.000 0.772 274 E CB 2.505 32.273 29.700 0.114 0.000 1.155 274 E HN -0.003 nan 8.360 nan 0.000 0.408 275 L N 3.428 124.763 121.223 0.186 0.000 2.334 275 L HA 0.479 4.819 4.340 -0.000 0.000 0.277 275 L C -0.134 176.899 176.870 0.272 0.000 1.075 275 L CA -0.700 54.260 54.840 0.199 0.000 0.804 275 L CB 0.694 42.900 42.059 0.245 0.000 1.174 275 L HN 0.395 nan 8.230 nan 0.000 0.438 276 I N 2.822 123.485 120.570 0.154 0.000 2.359 276 I HA 0.394 4.564 4.170 -0.000 0.000 0.294 276 I C -0.507 175.682 176.117 0.120 0.000 0.987 276 I CA -0.329 60.996 61.300 0.042 0.000 1.225 276 I CB 1.113 39.072 38.000 -0.068 0.000 1.366 276 I HN 0.387 nan 8.210 nan 0.000 0.466 277 F N 4.784 124.679 119.950 -0.093 0.000 2.613 277 F HA 0.759 5.286 4.527 -0.000 0.000 0.314 277 F C -1.619 174.082 175.800 -0.166 0.000 1.075 277 F CA -1.248 56.630 58.000 -0.204 0.000 0.945 277 F CB 0.934 39.651 39.000 -0.471 0.000 1.310 277 F HN 0.075 nan 8.300 nan 0.000 0.467 278 L N 2.057 123.340 121.223 0.101 0.000 2.307 278 L HA 0.426 4.766 4.340 -0.000 0.000 0.282 278 L C -0.911 176.230 176.870 0.453 0.000 1.051 278 L CA -0.513 54.424 54.840 0.162 0.000 0.804 278 L CB 1.189 43.399 42.059 0.251 0.000 1.197 278 L HN 0.636 nan 8.230 nan 0.000 0.431 279 D N 4.134 124.825 120.400 0.485 0.000 2.425 279 D HA 0.285 4.925 4.640 -0.000 0.000 0.240 279 D C -1.958 174.645 176.300 0.505 0.000 1.080 279 D CA -1.965 52.402 54.000 0.611 0.000 0.836 279 D CB 2.201 43.326 40.800 0.542 0.000 1.125 279 D HN 0.170 nan 8.370 nan 0.000 0.525 280 P HA 0.041 nan 4.420 nan 0.000 0.249 280 P C -0.204 176.717 177.300 -0.632 0.000 1.229 280 P CA 0.143 63.050 63.100 -0.322 0.000 0.788 280 P CB -0.068 31.338 31.700 -0.489 0.000 1.072 281 H N -0.074 118.882 119.070 -0.189 0.000 2.983 281 H HA 0.296 4.852 4.556 -0.000 0.000 0.222 281 H C -0.186 175.147 175.328 0.009 0.000 1.828 281 H CA 0.443 56.355 56.048 -0.226 0.000 1.309 281 H CB -0.810 28.963 29.762 0.019 0.000 1.644 281 H HN -0.096 nan 8.280 nan 0.000 0.561 282 T N 0.548 115.106 114.554 0.007 0.000 2.937 282 T HA 0.200 4.550 4.350 -0.000 0.000 0.297 282 T C 0.099 174.842 174.700 0.072 0.000 0.991 282 T CA -0.879 61.277 62.100 0.093 0.000 0.990 282 T CB 1.479 70.407 68.868 0.100 0.000 0.991 282 T HN 0.196 nan 8.240 nan 0.000 0.440 283 T N 4.877 119.521 114.554 0.150 0.000 2.729 283 T HA 0.354 4.704 4.350 -0.000 0.000 0.296 283 T C 0.036 174.755 174.700 0.032 0.000 0.928 283 T CA -0.405 61.766 62.100 0.118 0.000 1.045 283 T CB 0.451 69.369 68.868 0.084 0.000 0.902 283 T HN 0.475 nan 8.240 nan 0.000 0.500 284 Q N 1.482 121.279 119.800 -0.004 0.000 2.351 284 Q HA 0.434 4.774 4.340 -0.000 0.000 0.273 284 Q C -0.232 175.779 176.000 0.019 0.000 1.077 284 Q CA -0.957 54.828 55.803 -0.030 0.000 0.843 284 Q CB 1.644 30.305 28.738 -0.129 0.000 1.367 284 Q HN 0.485 nan 8.270 nan 0.000 0.449 285 T N 1.597 116.167 114.554 0.027 0.000 2.919 285 T HA 0.075 4.425 4.350 -0.000 0.000 0.302 285 T C -0.195 174.596 174.700 0.152 0.000 1.031 285 T CA -0.219 61.930 62.100 0.082 0.000 1.127 285 T CB 0.048 68.950 68.868 0.057 0.000 0.952 285 T HN 0.326 nan 8.240 nan 0.000 0.540 286 F N 4.283 124.288 119.950 0.092 0.000 2.604 286 F HA 0.207 4.734 4.527 -0.000 0.000 0.393 286 F C -0.371 175.508 175.800 0.132 0.000 1.043 286 F CA -0.417 57.683 58.000 0.168 0.000 1.227 286 F CB -0.025 39.114 39.000 0.231 0.000 1.016 286 F HN 0.196 nan 8.300 nan 0.000 0.556 287 V N 6.903 126.683 119.914 -0.225 0.000 2.448 287 V HA 0.300 4.420 4.120 -0.000 0.000 0.295 287 V C -0.367 175.401 176.094 -0.543 0.000 1.025 287 V CA -0.689 61.438 62.300 -0.289 0.000 0.859 287 V CB 1.555 33.410 31.823 0.053 0.000 0.988 287 V HN 0.770 nan 8.190 nan 0.000 0.431 288 D N 1.888 121.938 120.400 -0.584 0.000 2.414 288 D HA 0.501 5.141 4.640 -0.000 0.000 0.241 288 D C 0.097 176.313 176.300 -0.139 0.000 1.008 288 D CA -0.140 53.609 54.000 -0.418 0.000 1.001 288 D CB 2.224 42.754 40.800 -0.450 0.000 1.277 288 D HN 0.652 nan 8.370 nan 0.000 0.538 289 T N -0.346 114.169 114.554 -0.065 0.000 2.932 289 T HA 0.195 4.545 4.350 -0.000 0.000 0.312 289 T C 0.477 175.162 174.700 -0.026 0.000 1.071 289 T CA -0.585 61.496 62.100 -0.031 0.000 1.128 289 T CB 0.638 69.491 68.868 -0.025 0.000 0.984 289 T HN 0.192 nan 8.240 nan 0.000 0.549 290 E N 1.537 121.732 120.200 -0.009 0.000 2.351 290 E HA 0.139 4.489 4.350 -0.000 0.000 0.255 290 E C 1.483 178.082 176.600 -0.003 0.000 1.188 290 E CA -0.572 55.827 56.400 -0.002 0.000 0.940 290 E CB 0.544 30.250 29.700 0.011 0.000 1.094 290 E HN 0.791 nan 8.360 nan 0.000 0.474 291 E N 0.783 120.983 120.200 0.000 0.000 2.160 291 E HA -0.209 4.140 4.350 -0.000 0.000 0.195 291 E C 1.096 177.695 176.600 -0.002 0.000 0.991 291 E CA 1.265 57.664 56.400 -0.001 0.000 0.810 291 E CB -0.156 29.545 29.700 0.002 0.000 0.742 291 E HN 0.386 nan 8.360 nan 0.000 0.466 292 N N -0.105 118.597 118.700 0.002 0.000 2.515 292 N HA -0.011 4.729 4.740 -0.000 0.000 0.191 292 N C 1.131 176.639 175.510 -0.004 0.000 1.182 292 N CA 0.938 53.990 53.050 0.002 0.000 0.879 292 N CB 0.279 38.773 38.487 0.011 0.000 0.984 292 N HN 0.194 nan 8.380 nan 0.000 0.453 293 G N -1.021 107.773 108.800 -0.010 0.000 2.179 293 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.260 293 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.260 293 G C 0.223 175.110 174.900 -0.023 0.000 0.977 293 G CA 0.794 45.880 45.100 -0.023 0.000 0.641 293 G HN 0.886 nan 8.290 nan 0.000 0.533 294 T N -2.357 112.195 114.554 -0.004 0.000 2.943 294 T HA 0.732 5.082 4.350 -0.000 0.000 0.284 294 T C -0.050 174.658 174.700 0.013 0.000 1.015 294 T CA -0.140 61.964 62.100 0.007 0.000 1.042 294 T CB 2.614 71.506 68.868 0.040 0.000 1.055 294 T HN 1.286 nan 8.240 nan 0.000 0.500 295 V N 2.194 122.117 119.914 0.015 0.000 2.581 295 V HA 0.519 4.639 4.120 -0.000 0.000 0.303 295 V C -0.138 176.022 176.094 0.109 0.000 1.041 295 V CA -1.060 61.264 62.300 0.040 0.000 0.907 295 V CB 1.524 33.348 31.823 0.002 0.000 0.994 295 V HN 1.116 nan 8.190 nan 0.000 0.442 296 N N 3.755 122.545 118.700 0.150 0.000 2.483 296 N HA 0.084 4.824 4.740 -0.000 0.000 0.264 296 N C 0.395 176.116 175.510 0.352 0.000 1.197 296 N CA 0.406 53.587 53.050 0.218 0.000 0.927 296 N CB 1.080 39.671 38.487 0.174 0.000 1.065 296 N HN 0.793 nan 8.380 nan 0.000 0.461 297 D N 2.018 122.672 120.400 0.423 0.000 2.349 297 D HA -0.039 4.601 4.640 -0.000 0.000 0.214 297 D C 0.886 177.563 176.300 0.628 0.000 1.063 297 D CA 0.461 54.819 54.000 0.596 0.000 0.847 297 D CB -0.172 41.007 40.800 0.630 0.000 0.933 297 D HN 0.612 nan 8.370 nan 0.000 0.513 298 Q N 0.379 120.446 119.800 0.445 0.000 2.062 298 Q HA -0.172 4.168 4.340 -0.000 0.000 0.209 298 Q C 1.798 177.960 176.000 0.270 0.000 0.996 298 Q CA 2.501 58.516 55.803 0.354 0.000 0.859 298 Q CB -0.400 28.473 28.738 0.226 0.000 0.920 298 Q HN 0.539 nan 8.270 nan 0.000 0.415 299 T N -2.561 112.041 114.554 0.079 0.000 3.148 299 T HA 0.020 4.370 4.350 -0.000 0.000 0.253 299 T C 0.773 175.272 174.700 -0.334 0.000 1.134 299 T CA 0.223 62.235 62.100 -0.148 0.000 1.051 299 T CB -0.097 68.561 68.868 -0.350 0.000 0.959 299 T HN 0.093 nan 8.240 nan 0.000 0.525 300 F N 1.059 121.040 119.950 0.052 0.000 2.641 300 F HA 0.395 4.922 4.527 -0.000 0.000 0.302 300 F C 0.894 176.460 175.800 -0.389 0.000 1.098 300 F CA -0.805 57.062 58.000 -0.221 0.000 1.318 300 F CB 0.100 38.906 39.000 -0.324 0.000 1.035 300 F HN 0.281 nan 8.300 nan 0.000 0.551 301 H N -0.852 118.297 119.070 0.132 0.000 2.689 301 H HA 0.247 4.803 4.556 -0.000 0.000 0.346 301 H C -0.907 174.391 175.328 -0.051 0.000 1.037 301 H CA -0.926 55.051 56.048 -0.119 0.000 1.234 301 H CB 2.055 31.483 29.762 -0.557 0.000 1.572 301 H HN -0.051 nan 8.280 nan 0.000 0.524 302 C N 5.235 124.360 119.300 -0.291 0.000 2.303 302 C HA 0.253 4.713 4.460 -0.000 0.000 0.341 302 C C 0.900 175.665 174.990 -0.375 0.000 1.244 302 C CA -0.354 58.200 59.018 -0.773 0.000 1.765 302 C CB -1.562 25.254 27.740 -1.540 0.000 2.379 302 C HN 0.656 nan 8.230 nan 0.000 0.530 303 L N 5.001 126.083 121.223 -0.235 0.000 2.857 303 L HA 0.278 4.618 4.340 -0.000 0.000 0.249 303 L C 1.221 178.005 176.870 -0.143 0.000 1.172 303 L CA 0.591 55.365 54.840 -0.109 0.000 0.980 303 L CB -0.582 41.483 42.059 0.011 0.000 1.299 303 L HN 0.729 nan 8.230 nan 0.000 0.535 304 Q N -0.651 119.011 119.800 -0.228 0.000 2.471 304 Q HA 0.203 4.543 4.340 -0.000 0.000 0.223 304 Q C 0.393 176.280 176.000 -0.188 0.000 1.045 304 Q CA -0.191 55.499 55.803 -0.189 0.000 0.956 304 Q CB 0.487 29.093 28.738 -0.219 0.000 1.249 304 Q HN 0.120 nan 8.270 nan 0.000 0.549 305 S N 2.354 117.963 115.700 -0.150 0.000 2.546 305 S HA 0.061 4.531 4.470 -0.000 0.000 0.290 305 S C -2.097 172.378 174.600 -0.209 0.000 1.290 305 S CA -0.959 57.150 58.200 -0.153 0.000 1.069 305 S CB -0.116 63.014 63.200 -0.118 0.000 0.846 305 S HN 0.326 nan 8.310 nan 0.000 0.495 306 P HA 0.036 nan 4.420 nan 0.000 0.266 306 P C -0.411 176.694 177.300 -0.325 0.000 1.193 306 P CA 0.135 63.065 63.100 -0.282 0.000 0.770 306 P CB 0.374 31.938 31.700 -0.227 0.000 0.836 307 Q N 2.165 121.655 119.800 -0.517 0.000 2.274 307 Q HA 0.525 4.865 4.340 -0.000 0.000 0.260 307 Q C -0.169 175.410 176.000 -0.701 0.000 0.974 307 Q CA -0.662 54.740 55.803 -0.669 0.000 0.876 307 Q CB 2.253 30.355 28.738 -1.060 0.000 1.297 307 Q HN 0.376 nan 8.270 nan 0.000 0.446 308 R N 1.612 121.940 120.500 -0.286 0.000 2.807 308 R HA 0.703 5.043 4.340 -0.000 0.000 0.276 308 R C -0.587 175.885 176.300 0.287 0.000 0.979 308 R CA -0.666 55.451 56.100 0.027 0.000 0.928 308 R CB 2.033 32.344 30.300 0.019 0.000 1.191 308 R HN 0.641 nan 8.270 nan 0.000 0.471 309 M N -0.398 119.422 119.600 0.366 0.000 2.531 309 M HA 0.439 4.919 4.480 -0.000 0.000 0.286 309 M C -1.252 175.164 176.300 0.193 0.000 1.232 309 M CA -0.983 54.478 55.300 0.269 0.000 0.877 309 M CB 2.282 35.044 32.600 0.270 0.000 1.726 309 M HN 0.305 nan 8.290 nan 0.000 0.463 310 N N 1.814 120.595 118.700 0.135 0.000 2.468 310 N HA 0.162 4.902 4.740 -0.000 0.000 0.265 310 N C 0.697 176.264 175.510 0.094 0.000 1.199 310 N CA 0.150 53.262 53.050 0.103 0.000 0.928 310 N CB 0.765 39.298 38.487 0.078 0.000 1.059 310 N HN 0.839 nan 8.380 nan 0.000 0.467 311 I N 3.555 124.177 120.570 0.086 0.000 2.248 311 I HA -0.319 3.850 4.170 -0.000 0.000 0.248 311 I C 1.898 178.035 176.117 0.033 0.000 1.107 311 I CA 1.082 62.421 61.300 0.066 0.000 1.373 311 I CB -0.120 37.936 38.000 0.093 0.000 1.055 311 I HN 0.532 nan 8.210 nan 0.000 0.418 312 L N 0.743 121.989 121.223 0.039 0.000 2.465 312 L HA -0.083 4.257 4.340 -0.000 0.000 0.224 312 L C 1.512 178.399 176.870 0.027 0.000 1.145 312 L CA 0.631 55.487 54.840 0.026 0.000 0.834 312 L CB -0.606 41.469 42.059 0.027 0.000 0.944 312 L HN 0.337 nan 8.230 nan 0.000 0.451 313 N N -0.149 118.576 118.700 0.042 0.000 2.299 313 N HA 0.069 4.809 4.740 -0.000 0.000 0.187 313 N C 0.323 175.866 175.510 0.055 0.000 1.099 313 N CA 0.002 53.082 53.050 0.050 0.000 0.867 313 N CB 0.280 38.808 38.487 0.067 0.000 0.974 313 N HN 0.103 nan 8.380 nan 0.000 0.477 314 L N 1.980 123.223 121.223 0.033 0.000 2.410 314 L HA 0.114 4.454 4.340 -0.000 0.000 0.273 314 L C 0.531 177.407 176.870 0.010 0.000 1.152 314 L CA -0.228 54.624 54.840 0.020 0.000 0.855 314 L CB 0.286 42.284 42.059 -0.102 0.000 1.129 314 L HN 0.067 nan 8.230 nan 0.000 0.463 315 D N 6.361 126.792 120.400 0.051 0.000 2.525 315 D HA -0.034 4.606 4.640 -0.000 0.000 0.235 315 D C -1.752 174.552 176.300 0.008 0.000 1.137 315 D CA -0.803 53.224 54.000 0.044 0.000 0.868 315 D CB 1.567 42.416 40.800 0.080 0.000 1.180 315 D HN 0.445 nan 8.370 nan 0.000 0.465 316 P HA -0.033 nan 4.420 nan 0.000 0.222 316 P C -0.073 177.214 177.300 -0.022 0.000 1.147 316 P CA 0.532 63.618 63.100 -0.025 0.000 0.790 316 P CB 0.258 31.960 31.700 0.004 0.000 0.780 317 S N 0.405 116.124 115.700 0.032 0.000 2.416 317 S HA 0.360 4.830 4.470 -0.000 0.000 0.287 317 S C 0.298 174.949 174.600 0.084 0.000 1.139 317 S CA -0.483 57.753 58.200 0.059 0.000 1.058 317 S CB 0.200 63.462 63.200 0.104 0.000 0.967 317 S HN -0.048 nan 8.310 nan 0.000 0.495 318 V N 0.333 120.279 119.914 0.054 0.000 3.155 318 V HA 1.065 5.185 4.120 -0.000 0.000 0.313 318 V C -0.593 175.565 176.094 0.107 0.000 1.162 318 V CA -1.365 60.998 62.300 0.105 0.000 1.048 318 V CB 1.673 33.531 31.823 0.058 0.000 1.092 318 V HN 0.771 nan 8.190 nan 0.000 0.447 319 A N 1.954 124.863 122.820 0.147 0.000 2.402 319 A HA 0.790 5.110 4.320 -0.000 0.000 0.291 319 A C -0.871 176.772 177.584 0.098 0.000 1.051 319 A CA -0.608 51.487 52.037 0.098 0.000 0.716 319 A CB 0.955 19.998 19.000 0.072 0.000 1.223 319 A HN 0.985 nan 8.150 nan 0.000 0.425 320 L N 1.981 123.228 121.223 0.041 0.000 2.397 320 L HA 0.578 4.918 4.340 -0.000 0.000 0.271 320 L C 0.978 177.728 176.870 -0.201 0.000 1.148 320 L CA -0.053 54.727 54.840 -0.101 0.000 0.825 320 L CB 1.236 43.255 42.059 -0.066 0.000 1.117 320 L HN 0.792 nan 8.230 nan 0.000 0.456 321 G N 1.874 110.431 108.800 -0.405 0.000 2.495 321 G HA2 0.731 4.691 3.960 -0.000 0.000 0.318 321 G HA3 0.731 4.691 3.960 -0.000 0.000 0.318 321 G C -1.449 173.057 174.900 -0.657 0.000 1.257 321 G CA -0.267 44.641 45.100 -0.320 0.000 0.962 321 G HN 0.288 nan 8.290 nan 0.000 0.483 322 F N 0.153 120.102 119.950 -0.001 0.000 2.601 322 F HA 0.600 5.127 4.527 -0.000 0.000 0.309 322 F C -0.888 174.943 175.800 0.052 0.000 1.089 322 F CA -0.973 57.013 58.000 -0.022 0.000 0.940 322 F CB 2.753 41.574 39.000 -0.298 0.000 1.273 322 F HN 0.450 nan 8.300 nan 0.000 0.450 323 F N 2.663 122.700 119.950 0.146 0.000 2.493 323 F HA 0.670 5.197 4.527 -0.000 0.000 0.329 323 F C -1.168 174.697 175.800 0.110 0.000 1.126 323 F CA -1.245 56.810 58.000 0.092 0.000 0.937 323 F CB 1.018 40.066 39.000 0.081 0.000 1.146 323 F HN 0.457 nan 8.300 nan 0.000 0.442 324 C N 7.579 126.492 119.300 -0.644 0.000 2.335 324 C HA 0.318 4.778 4.460 -0.000 0.000 0.318 324 C C 1.426 176.025 174.990 -0.652 0.000 1.150 324 C CA -1.009 57.730 59.018 -0.466 0.000 1.466 324 C CB 0.534 28.253 27.740 -0.035 0.000 2.024 324 C HN 1.084 nan 8.230 nan 0.000 0.429 325 K N 1.662 121.586 120.400 -0.794 0.000 2.057 325 K HA -0.040 4.280 4.320 -0.000 0.000 0.207 325 K C 0.606 177.145 176.600 -0.103 0.000 1.049 325 K CA 1.411 57.432 56.287 -0.442 0.000 0.931 325 K CB 0.338 32.760 32.500 -0.130 0.000 0.714 325 K HN 0.759 nan 8.250 nan 0.000 0.440 326 E N -0.978 119.070 120.200 -0.254 0.000 2.378 326 E HA 0.041 4.391 4.350 -0.000 0.000 0.265 326 E C -0.086 175.880 176.600 -1.057 0.000 0.932 326 E CA -0.436 55.662 56.400 -0.504 0.000 0.795 326 E CB 1.645 31.180 29.700 -0.275 0.000 1.296 326 E HN 0.108 nan 8.360 nan 0.000 0.438 327 E N 1.553 120.783 120.200 -1.617 0.000 2.097 327 E HA -0.274 4.076 4.350 -0.000 0.000 0.196 327 E C 1.689 177.888 176.600 -0.669 0.000 1.000 327 E CA 2.049 57.456 56.400 -1.655 0.000 0.804 327 E CB 0.059 29.116 29.700 -1.072 0.000 0.740 327 E HN 0.459 nan 8.360 nan 0.000 0.454 328 K N 0.139 120.283 120.400 -0.428 0.000 2.152 328 K HA -0.188 4.132 4.320 -0.000 0.000 0.206 328 K C 1.498 177.996 176.600 -0.168 0.000 1.048 328 K CA 1.729 57.879 56.287 -0.229 0.000 0.933 328 K CB -0.087 32.318 32.500 -0.160 0.000 0.721 328 K HN 0.094 nan 8.250 nan 0.000 0.447 329 D N 0.618 120.907 120.400 -0.185 0.000 2.117 329 D HA -0.142 4.498 4.640 -0.000 0.000 0.198 329 D C 1.773 178.080 176.300 0.012 0.000 0.982 329 D CA 1.001 54.952 54.000 -0.082 0.000 0.828 329 D CB -0.256 40.476 40.800 -0.113 0.000 0.967 329 D HN 0.228 nan 8.370 nan 0.000 0.464 330 F N 2.288 122.136 119.950 -0.171 0.000 2.146 330 F HA -0.143 4.384 4.527 -0.000 0.000 0.298 330 F C 1.730 177.568 175.800 0.063 0.000 1.096 330 F CA 1.170 59.159 58.000 -0.018 0.000 1.275 330 F CB -0.082 38.927 39.000 0.016 0.000 1.008 330 F HN -0.241 nan 8.300 nan 0.000 0.480 331 D N 0.081 120.374 120.400 -0.179 0.000 2.123 331 D HA -0.230 4.410 4.640 -0.000 0.000 0.196 331 D C 1.960 178.147 176.300 -0.188 0.000 0.992 331 D CA 1.577 55.442 54.000 -0.225 0.000 0.833 331 D CB -0.692 40.023 40.800 -0.142 0.000 0.954 331 D HN 0.360 nan 8.370 nan 0.000 0.455 332 N N -0.437 118.197 118.700 -0.109 0.000 2.120 332 N HA -0.175 4.565 4.740 -0.000 0.000 0.188 332 N C 1.654 177.121 175.510 -0.072 0.000 1.024 332 N CA 1.201 54.206 53.050 -0.074 0.000 0.852 332 N CB -0.273 38.199 38.487 -0.025 0.000 1.003 332 N HN 0.246 nan 8.380 nan 0.000 0.424 333 W N 0.808 121.976 121.300 -0.221 0.000 2.338 333 W HA -0.226 4.434 4.660 -0.000 0.000 0.304 333 W C 2.194 178.523 176.519 -0.317 0.000 1.212 333 W CA 1.307 58.503 57.345 -0.248 0.000 1.264 333 W CB -0.762 28.558 29.460 -0.232 0.000 1.142 333 W HN 0.113 nan 8.180 nan 0.000 0.512 334 C N -0.116 118.956 119.300 -0.380 0.000 2.413 334 C HA -0.206 4.254 4.460 -0.000 0.000 0.276 334 C C 2.941 177.665 174.990 -0.444 0.000 1.248 334 C CA 1.689 60.388 59.018 -0.532 0.000 1.742 334 C CB -1.492 25.974 27.740 -0.457 0.000 2.017 334 C HN 0.400 nan 8.230 nan 0.000 0.481 335 S N 0.938 116.450 115.700 -0.314 0.000 2.368 335 S HA -0.100 4.370 4.470 -0.000 0.000 0.225 335 S C 1.705 176.146 174.600 -0.264 0.000 1.030 335 S CA 1.357 59.414 58.200 -0.239 0.000 0.999 335 S CB -0.356 62.746 63.200 -0.163 0.000 0.844 335 S HN 0.568 nan 8.310 nan 0.000 0.459 336 L N 0.806 121.846 121.223 -0.304 0.000 2.056 336 L HA -0.067 4.273 4.340 -0.000 0.000 0.207 336 L C 2.328 178.970 176.870 -0.379 0.000 1.078 336 L CA 0.819 55.486 54.840 -0.289 0.000 0.749 336 L CB -0.785 41.128 42.059 -0.242 0.000 0.901 336 L HN 0.190 nan 8.230 nan 0.000 0.433 337 V N -0.319 119.231 119.914 -0.606 0.000 2.343 337 V HA -0.304 3.816 4.120 -0.000 0.000 0.247 337 V C 2.493 178.323 176.094 -0.440 0.000 1.051 337 V CA 1.709 63.630 62.300 -0.632 0.000 1.036 337 V CB -0.528 30.702 31.823 -0.987 0.000 0.654 337 V HN 0.470 nan 8.190 nan 0.000 0.451 338 Q N -0.362 119.211 119.800 -0.377 0.000 2.096 338 Q HA -0.254 4.086 4.340 -0.000 0.000 0.204 338 Q C 2.399 178.275 176.000 -0.206 0.000 0.982 338 Q CA 1.944 57.590 55.803 -0.261 0.000 0.850 338 Q CB -0.204 28.404 28.738 -0.217 0.000 0.901 338 Q HN 0.556 nan 8.270 nan 0.000 0.422 339 K N 0.101 120.381 120.400 -0.200 0.000 2.044 339 K HA -0.119 4.201 4.320 -0.000 0.000 0.204 339 K C 1.452 177.968 176.600 -0.140 0.000 1.049 339 K CA 1.054 57.253 56.287 -0.148 0.000 0.945 339 K CB 0.367 32.791 32.500 -0.127 0.000 0.724 339 K HN 0.070 nan 8.250 nan 0.000 0.440 340 E N -0.039 120.061 120.200 -0.167 0.000 2.364 340 E HA 0.025 4.375 4.350 -0.000 0.000 0.196 340 E C 1.783 178.297 176.600 -0.143 0.000 0.990 340 E CA 0.301 56.621 56.400 -0.133 0.000 0.886 340 E CB 0.603 30.231 29.700 -0.120 0.000 0.866 340 E HN 0.302 nan 8.360 nan 0.000 0.493 341 I N 0.085 120.523 120.570 -0.219 0.000 3.136 341 I HA 0.019 4.189 4.170 -0.000 0.000 0.262 341 I C 2.184 178.149 176.117 -0.253 0.000 1.132 341 I CA 0.428 61.566 61.300 -0.270 0.000 1.450 341 I CB -0.766 36.926 38.000 -0.514 0.000 1.315 341 I HN 0.004 nan 8.210 nan 0.000 0.460 342 L N 1.560 122.623 121.223 -0.267 0.000 2.465 342 L HA -0.099 4.241 4.340 -0.000 0.000 0.224 342 L C 2.285 179.078 176.870 -0.129 0.000 1.145 342 L CA 0.689 55.407 54.840 -0.204 0.000 0.834 342 L CB -0.557 41.381 42.059 -0.202 0.000 0.944 342 L HN 0.354 nan 8.230 nan 0.000 0.451 343 K N -0.355 119.975 120.400 -0.118 0.000 2.365 343 K HA 0.005 4.325 4.320 -0.000 0.000 0.199 343 K C 0.451 177.015 176.600 -0.060 0.000 1.045 343 K CA 0.375 56.614 56.287 -0.081 0.000 0.962 343 K CB 0.061 32.516 32.500 -0.076 0.000 0.759 343 K HN 0.167 nan 8.250 nan 0.000 0.469 344 E N 1.549 121.715 120.200 -0.058 0.000 2.373 344 E HA -0.025 4.324 4.350 -0.000 0.000 0.263 344 E C 0.078 176.664 176.600 -0.024 0.000 1.073 344 E CA -0.100 56.280 56.400 -0.032 0.000 0.894 344 E CB 0.979 30.673 29.700 -0.010 0.000 1.008 344 E HN 0.144 nan 8.360 nan 0.000 0.420 345 N N 1.433 120.121 118.700 -0.020 0.000 2.135 345 N HA -0.078 4.662 4.740 -0.000 0.000 0.186 345 N C 0.135 175.649 175.510 0.007 0.000 1.027 345 N CA 0.840 53.882 53.050 -0.013 0.000 0.849 345 N CB 0.137 38.612 38.487 -0.019 0.000 1.002 345 N HN 0.330 nan 8.380 nan 0.000 0.425 346 L N 2.078 123.310 121.223 0.015 0.000 2.288 346 L HA 0.353 4.693 4.340 -0.000 0.000 0.283 346 L C -0.079 176.908 176.870 0.195 0.000 1.072 346 L CA -0.418 54.471 54.840 0.082 0.000 0.862 346 L CB 0.876 42.934 42.059 -0.002 0.000 1.245 346 L HN 0.049 nan 8.230 nan 0.000 0.432 347 R N 2.215 122.801 120.500 0.145 0.000 2.390 347 R HA 0.183 4.522 4.340 -0.000 0.000 0.291 347 R C 1.028 177.391 176.300 0.106 0.000 1.070 347 R CA -0.280 55.865 56.100 0.075 0.000 1.014 347 R CB 1.523 31.804 30.300 -0.032 0.000 1.007 347 R HN 0.638 nan 8.270 nan 0.000 0.466 348 M N 2.893 122.516 119.600 0.039 0.000 2.132 348 M HA -0.006 4.473 4.480 -0.000 0.000 0.263 348 M C -0.407 175.934 176.300 0.068 0.000 1.065 348 M CA 1.796 57.053 55.300 -0.072 0.000 1.122 348 M CB 0.364 33.019 32.600 0.092 0.000 1.365 348 M HN 0.564 nan 8.290 nan 0.000 0.411 349 F N -2.082 117.870 119.950 0.002 0.000 2.715 349 F HA 0.653 5.180 4.527 -0.000 0.000 0.318 349 F C -1.300 174.524 175.800 0.041 0.000 1.141 349 F CA -1.376 56.644 58.000 0.034 0.000 0.950 349 F CB 0.682 39.739 39.000 0.094 0.000 1.374 349 F HN -0.275 nan 8.300 nan 0.000 0.477 350 E N 1.357 121.707 120.200 0.250 0.000 2.207 350 E HA 0.561 4.911 4.350 -0.000 0.000 0.270 350 E C -1.738 175.000 176.600 0.230 0.000 0.927 350 E CA -0.822 55.648 56.400 0.116 0.000 0.799 350 E CB 2.790 32.557 29.700 0.112 0.000 1.172 350 E HN 0.684 nan 8.360 nan 0.000 0.404 351 L N 2.746 124.022 121.223 0.089 0.000 2.372 351 L HA 0.340 4.680 4.340 -0.000 0.000 0.273 351 L C -1.001 175.911 176.870 0.070 0.000 0.989 351 L CA -0.824 54.090 54.840 0.123 0.000 0.841 351 L CB 1.414 43.477 42.059 0.007 0.000 1.225 351 L HN 0.347 nan 8.230 nan 0.000 0.414 352 V N 2.041 122.022 119.914 0.113 0.000 2.960 352 V HA 0.616 4.736 4.120 -0.000 0.000 0.315 352 V C 0.506 176.659 176.094 0.099 0.000 1.087 352 V CA -0.545 61.805 62.300 0.083 0.000 0.982 352 V CB 1.771 33.642 31.823 0.081 0.000 1.039 352 V HN 0.809 nan 8.190 nan 0.000 0.437 353 Q N 2.162 122.007 119.800 0.076 0.000 2.033 353 Q HA 0.152 4.492 4.340 -0.000 0.000 0.196 353 Q C 0.897 176.959 176.000 0.104 0.000 0.970 353 Q CA 1.614 57.468 55.803 0.085 0.000 0.828 353 Q CB 0.181 28.953 28.738 0.057 0.000 0.895 353 Q HN 0.738 nan 8.270 nan 0.000 0.440 354 K N -0.061 120.396 120.400 0.095 0.000 2.164 354 K HA 0.237 4.556 4.320 -0.000 0.000 0.258 354 K C -1.178 175.506 176.600 0.140 0.000 0.951 354 K CA -0.611 55.744 56.287 0.114 0.000 0.844 354 K CB 0.930 33.485 32.500 0.091 0.000 1.099 354 K HN 0.464 nan 8.250 nan 0.000 0.435 355 H N 2.679 121.791 119.070 0.071 0.000 3.157 355 H HA 0.095 4.651 4.556 -0.000 0.000 0.299 355 H C -2.166 173.206 175.328 0.074 0.000 0.961 355 H CA -1.032 55.062 56.048 0.077 0.000 1.428 355 H CB 0.196 29.995 29.762 0.062 0.000 1.459 355 H HN 0.275 nan 8.280 nan 0.000 0.566 356 P HA -0.037 nan 4.420 nan 0.000 0.261 356 P C -0.582 176.647 177.300 -0.118 0.000 1.203 356 P CA 0.145 63.161 63.100 -0.139 0.000 0.767 356 P CB 0.611 32.237 31.700 -0.123 0.000 0.785 357 S N 2.805 118.516 115.700 0.018 0.000 2.549 357 S HA 0.040 4.510 4.470 -0.000 0.000 0.283 357 S C -0.113 174.541 174.600 0.091 0.000 1.320 357 S CA -0.270 57.977 58.200 0.078 0.000 1.058 357 S CB -0.189 63.057 63.200 0.077 0.000 0.882 357 S HN 0.420 nan 8.310 nan 0.000 0.498 358 H N 5.189 124.247 119.070 -0.019 0.000 2.467 358 H HA 0.234 4.790 4.556 -0.000 0.000 0.331 358 H C 0.411 175.692 175.328 -0.078 0.000 1.120 358 H CA -0.753 55.237 56.048 -0.095 0.000 1.270 358 H CB 0.628 30.255 29.762 -0.225 0.000 1.466 358 H HN 0.790 nan 8.280 nan 0.000 0.504 359 W N 0.000 121.032 121.300 -0.446 0.000 2.388 359 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 359 W CA 0.000 57.199 57.345 -0.243 0.000 1.226 359 W CB 0.000 29.293 29.460 -0.278 0.000 1.126 359 W HN 0.000 nan 8.180 nan 0.000 0.535