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 1n2k_1_A DATA FIRST_RESID 19 DATA SEQUENCE RPPNIVLIFA DDLGYGDLGC YGHPSSTTPN LDQLAAGGLR FTDFYVPVSL DATA SEQUENCE XTPSRAALLT GRLPVRMGMY PGVLVPSSRG GLPLEEVTVA EVLAARGYLT DATA SEQUENCE GMAGKWHLGV GPEGAFLPPH QGFHRFLGIP YSHDQGPcQN LTcFPPATPc DATA SEQUENCE DGGcDQGLVP IPLLANLSVE AQPPWLPGLE ARYMAFAHDL MADAQRQDRP DATA SEQUENCE FFLYYASHHT HYPQFSGQSF AERSGRGPFG DSLMELDAAV GTLMTAIGDL DATA SEQUENCE GLLEETLVIF TADNGPETMR MSRGGCSGLL RcGKGTTYEG GVREPALAFW DATA SEQUENCE PGHIAPGVTH ELASSLDLLP TLAALAGAPL PNVTLDGFDL SPLLLGTGKS DATA SEQUENCE PRQSLFFYPS YPDEVRGVFA VRTGKYKAHF FTQGSAHSDT TADPAcHASS DATA SEQUENCE SLTAHEPPLL YDLSKDPGEN YNLLGXXXXA TPEVLQALKQ LQLLKAQLDA DATA SEQUENCE AVTFGPSQVA RGEDPALQIc cHPGcTPRPA ccHcPD 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 19 R HA 0.000 nan 4.340 nan 0.000 0.208 19 R C 0.000 176.312 176.300 0.020 0.000 0.893 19 R CA 0.000 56.106 56.100 0.010 0.000 0.921 19 R CB 0.000 30.298 30.300 -0.004 0.000 0.687 20 P HA 0.345 nan 4.420 nan 0.000 0.269 20 P C -2.291 174.996 177.300 -0.022 0.000 1.209 20 P CA -0.788 62.342 63.100 0.050 0.000 0.776 20 P CB 0.616 32.407 31.700 0.153 0.000 0.876 21 P HA 0.087 nan 4.420 nan 0.000 0.274 21 P C -0.750 176.410 177.300 -0.233 0.000 1.237 21 P CA -0.319 62.678 63.100 -0.172 0.000 0.793 21 P CB 0.674 32.135 31.700 -0.397 0.000 0.977 22 N N 1.596 120.063 118.700 -0.389 0.000 2.442 22 N HA 0.211 4.952 4.740 0.002 0.000 0.265 22 N C 0.022 175.290 175.510 -0.402 0.000 1.138 22 N CA 0.054 52.724 53.050 -0.635 0.000 0.956 22 N CB 0.204 37.989 38.487 -1.170 0.000 1.067 22 N HN 0.358 nan 8.380 nan 0.000 0.474 23 I N 1.934 122.426 120.570 -0.129 0.000 2.321 23 I HA 0.235 4.406 4.170 0.002 0.000 0.291 23 I C -0.195 176.090 176.117 0.281 0.000 0.998 23 I CA -0.835 60.505 61.300 0.066 0.000 1.227 23 I CB 1.296 39.363 38.000 0.111 0.000 1.368 23 I HN -0.020 nan 8.210 nan 0.000 0.466 24 V N 7.481 127.527 119.914 0.220 0.000 2.350 24 V HA 0.299 4.420 4.120 0.002 0.000 0.285 24 V C -0.446 175.800 176.094 0.252 0.000 1.014 24 V CA -0.568 61.889 62.300 0.262 0.000 0.831 24 V CB 1.823 33.802 31.823 0.261 0.000 1.000 24 V HN 0.415 nan 8.190 nan 0.000 0.433 25 L N 7.493 128.874 121.223 0.264 0.000 2.301 25 L HA 0.597 4.939 4.340 0.002 0.000 0.278 25 L C -0.324 176.726 176.870 0.300 0.000 1.022 25 L CA 0.171 55.178 54.840 0.279 0.000 0.854 25 L CB 0.728 42.981 42.059 0.324 0.000 1.226 25 L HN 0.517 nan 8.230 nan 0.000 0.429 26 I N 4.844 125.582 120.570 0.279 0.000 2.352 26 I HA 0.194 4.365 4.170 0.002 0.000 0.290 26 I C -0.799 175.403 176.117 0.143 0.000 1.036 26 I CA -0.126 61.325 61.300 0.252 0.000 1.336 26 I CB 0.620 38.877 38.000 0.430 0.000 1.407 26 I HN 0.457 nan 8.210 nan 0.000 0.497 27 F N 6.378 126.203 119.950 -0.208 0.000 2.434 27 F HA 0.619 5.147 4.527 0.002 0.000 0.355 27 F C 0.393 175.987 175.800 -0.343 0.000 1.115 27 F CA -1.076 56.781 58.000 -0.238 0.000 1.010 27 F CB 0.993 39.997 39.000 0.006 0.000 1.234 27 F HN 0.482 nan 8.300 nan 0.000 0.439 28 A N 3.353 125.840 122.820 -0.556 0.000 2.313 28 A HA 0.442 4.763 4.320 0.002 0.000 0.261 28 A C -0.691 176.609 177.584 -0.474 0.000 1.090 28 A CA -0.294 51.478 52.037 -0.442 0.000 0.807 28 A CB 0.285 19.076 19.000 -0.349 0.000 1.055 28 A HN 0.606 nan 8.150 nan 0.000 0.492 29 D N 0.187 120.445 120.400 -0.237 0.000 2.408 29 D HA 0.414 5.055 4.640 0.002 0.000 0.243 29 D C -1.013 175.279 176.300 -0.014 0.000 1.075 29 D CA 0.185 54.118 54.000 -0.112 0.000 0.832 29 D CB 0.751 41.583 40.800 0.054 0.000 1.162 29 D HN 0.485 nan 8.370 nan 0.000 0.515 30 D N 1.651 122.026 120.400 -0.043 0.000 2.699 30 D HA -0.212 4.429 4.640 0.002 0.000 0.239 30 D C -0.712 175.613 176.300 0.042 0.000 1.136 30 D CA 0.392 54.382 54.000 -0.017 0.000 0.668 30 D CB -0.979 39.794 40.800 -0.045 0.000 1.060 30 D HN 0.241 nan 8.370 nan 0.000 0.429 31 L N 0.115 121.333 121.223 -0.007 0.000 2.317 31 L HA 0.692 5.033 4.340 0.002 0.000 0.281 31 L C 0.994 177.874 176.870 0.017 0.000 1.024 31 L CA -0.194 54.677 54.840 0.052 0.000 0.810 31 L CB 1.675 43.739 42.059 0.007 0.000 1.240 31 L HN 0.062 nan 8.230 nan 0.000 0.427 32 G N 2.258 111.086 108.800 0.046 0.000 2.547 32 G HA2 0.087 4.048 3.960 0.002 0.000 0.291 32 G HA3 0.087 4.048 3.960 0.002 0.000 0.291 32 G C -0.030 174.873 174.900 0.004 0.000 1.211 32 G CA -0.113 45.005 45.100 0.030 0.000 0.950 32 G HN 0.737 nan 8.290 nan 0.000 0.504 33 Y N 0.027 120.269 120.300 -0.096 0.000 2.352 33 Y HA 0.079 4.630 4.550 0.002 0.000 0.292 33 Y C 2.280 178.101 175.900 -0.131 0.000 1.136 33 Y CA 1.797 59.800 58.100 -0.162 0.000 1.227 33 Y CB 0.268 38.689 38.460 -0.065 0.000 0.991 33 Y HN 0.439 nan 8.280 nan 0.000 0.545 34 G N -1.095 107.759 108.800 0.089 0.000 3.605 34 G HA2 0.040 4.001 3.960 0.002 0.000 0.277 34 G HA3 0.040 4.001 3.960 0.002 0.000 0.277 34 G C 0.660 175.665 174.900 0.175 0.000 1.093 34 G CA 0.071 45.250 45.100 0.131 0.000 0.821 34 G HN 0.245 nan 8.290 nan 0.000 0.532 35 D N 0.428 120.866 120.400 0.063 0.000 2.201 35 D HA 0.059 4.700 4.640 0.002 0.000 0.209 35 D C 1.488 177.812 176.300 0.039 0.000 0.961 35 D CA 0.145 54.175 54.000 0.050 0.000 0.861 35 D CB 0.366 41.220 40.800 0.090 0.000 0.997 35 D HN 0.226 nan 8.370 nan 0.000 0.486 36 L N 0.698 121.946 121.223 0.041 0.000 2.467 36 L HA 0.123 4.464 4.340 0.002 0.000 0.270 36 L C 2.009 178.972 176.870 0.156 0.000 1.205 36 L CA -0.102 54.789 54.840 0.085 0.000 0.828 36 L CB 0.731 42.872 42.059 0.136 0.000 1.101 36 L HN 0.024 nan 8.230 nan 0.000 0.479 37 G N 0.727 109.589 108.800 0.103 0.000 2.402 37 G HA2 -0.234 3.728 3.960 0.002 0.000 0.216 37 G HA3 -0.234 3.728 3.960 0.002 0.000 0.216 37 G C 1.436 176.394 174.900 0.096 0.000 1.162 37 G CA 0.864 46.026 45.100 0.104 0.000 0.777 37 G HN 0.898 nan 8.290 nan 0.000 0.539 38 C N -1.636 117.715 119.300 0.085 0.000 2.485 38 C HA 0.269 4.731 4.460 0.002 0.000 0.283 38 C C 1.715 176.652 174.990 -0.088 0.000 1.478 38 C CA -0.455 58.565 59.018 0.004 0.000 1.741 38 C CB -1.777 25.950 27.740 -0.022 0.000 1.675 38 C HN 0.346 nan 8.230 nan 0.000 0.573 39 Y N 1.034 121.319 120.300 -0.024 0.000 2.584 39 Y HA 0.423 4.974 4.550 0.002 0.000 0.254 39 Y C 1.881 177.781 175.900 0.000 0.000 1.177 39 Y CA 0.461 58.525 58.100 -0.060 0.000 1.216 39 Y CB 0.070 38.431 38.460 -0.165 0.000 1.172 39 Y HN 0.404 nan 8.280 nan 0.000 0.529 40 G N -0.073 108.804 108.800 0.129 0.000 2.131 40 G HA2 -0.280 3.681 3.960 0.002 0.000 0.223 40 G HA3 -0.280 3.681 3.960 0.002 0.000 0.223 40 G C -0.073 174.884 174.900 0.096 0.000 0.990 40 G CA -0.102 45.055 45.100 0.095 0.000 0.671 40 G HN 0.445 nan 8.290 nan 0.000 0.521 41 H N 1.843 120.954 119.070 0.068 0.000 2.767 41 H HA 0.286 4.843 4.556 0.002 0.000 0.316 41 H C -0.354 174.997 175.328 0.039 0.000 1.059 41 H CA -0.521 55.558 56.048 0.052 0.000 1.461 41 H CB 1.657 31.452 29.762 0.056 0.000 1.475 41 H HN 0.175 nan 8.280 nan 0.000 0.531 42 P HA -0.110 nan 4.420 nan 0.000 0.220 42 P C 0.835 178.209 177.300 0.123 0.000 1.148 42 P CA 1.052 64.138 63.100 -0.023 0.000 0.803 42 P CB 0.534 32.160 31.700 -0.124 0.000 0.782 43 S N -2.945 112.970 115.700 0.357 0.000 2.589 43 S HA 0.165 4.636 4.470 0.002 0.000 0.235 43 S C 0.953 175.664 174.600 0.185 0.000 1.051 43 S CA -0.319 58.031 58.200 0.250 0.000 0.978 43 S CB -0.475 62.855 63.200 0.218 0.000 0.929 43 S HN -0.076 nan 8.310 nan 0.000 0.523 44 S N 2.612 118.425 115.700 0.189 0.000 2.563 44 S HA 0.330 4.801 4.470 0.002 0.000 0.284 44 S C -0.214 174.400 174.600 0.023 0.000 1.331 44 S CA 0.175 58.364 58.200 -0.018 0.000 1.047 44 S CB 0.561 63.676 63.200 -0.142 0.000 0.859 44 S HN 0.480 nan 8.310 nan 0.000 0.514 45 T N 2.438 116.985 114.554 -0.012 0.000 2.893 45 T HA 0.453 4.804 4.350 0.002 0.000 0.324 45 T C 0.181 174.856 174.700 -0.042 0.000 1.082 45 T CA -0.704 61.391 62.100 -0.009 0.000 0.983 45 T CB 0.596 69.465 68.868 0.001 0.000 1.005 45 T HN 0.695 nan 8.240 nan 0.000 0.475 46 T N 0.531 115.062 114.554 -0.039 0.000 3.732 46 T HA 0.335 4.686 4.350 0.002 0.000 0.234 46 T C -2.391 172.270 174.700 -0.065 0.000 1.146 46 T CA -1.446 60.609 62.100 -0.075 0.000 1.454 46 T CB 0.733 69.547 68.868 -0.090 0.000 0.910 46 T HN 0.069 nan 8.240 nan 0.000 0.640 47 P HA -0.148 nan 4.420 nan 0.000 0.215 47 P C 1.687 178.953 177.300 -0.057 0.000 1.163 47 P CA 1.247 64.327 63.100 -0.034 0.000 0.894 47 P CB 0.099 31.790 31.700 -0.015 0.000 0.791 48 N N -0.607 118.047 118.700 -0.076 0.000 2.069 48 N HA -0.125 4.616 4.740 0.002 0.000 0.191 48 N C 1.818 177.237 175.510 -0.152 0.000 1.031 48 N CA 1.205 54.192 53.050 -0.105 0.000 0.852 48 N CB -0.947 37.478 38.487 -0.104 0.000 1.018 48 N HN 0.193 nan 8.380 nan 0.000 0.423 49 L N 0.999 122.109 121.223 -0.188 0.000 2.141 49 L HA -0.132 4.209 4.340 0.002 0.000 0.209 49 L C 1.575 178.371 176.870 -0.123 0.000 1.094 49 L CA 0.915 55.614 54.840 -0.235 0.000 0.763 49 L CB -0.265 41.575 42.059 -0.366 0.000 0.908 49 L HN -0.003 nan 8.230 nan 0.000 0.437 50 D N -0.389 119.963 120.400 -0.080 0.000 2.144 50 D HA -0.168 4.473 4.640 0.002 0.000 0.200 50 D C 2.273 178.557 176.300 -0.027 0.000 0.978 50 D CA 1.004 54.984 54.000 -0.034 0.000 0.833 50 D CB -0.027 40.761 40.800 -0.020 0.000 0.961 50 D HN 0.386 nan 8.370 nan 0.000 0.470 51 Q N -0.302 119.470 119.800 -0.046 0.000 2.123 51 Q HA -0.028 4.313 4.340 0.002 0.000 0.199 51 Q C 2.118 178.094 176.000 -0.040 0.000 0.966 51 Q CA 0.331 56.114 55.803 -0.032 0.000 0.845 51 Q CB 0.027 28.738 28.738 -0.045 0.000 0.907 51 Q HN 0.171 nan 8.270 nan 0.000 0.439 52 L N 0.488 121.636 121.223 -0.124 0.000 2.093 52 L HA -0.117 4.224 4.340 0.002 0.000 0.208 52 L C 2.126 179.042 176.870 0.077 0.000 1.085 52 L CA 1.673 56.397 54.840 -0.194 0.000 0.755 52 L CB -0.416 41.483 42.059 -0.266 0.000 0.904 52 L HN 0.125 nan 8.230 nan 0.000 0.435 53 A N -0.966 121.888 122.820 0.057 0.000 1.929 53 A HA 0.016 4.338 4.320 0.002 0.000 0.216 53 A C 2.395 180.032 177.584 0.088 0.000 1.176 53 A CA 1.222 53.314 52.037 0.092 0.000 0.628 53 A CB -0.916 18.110 19.000 0.043 0.000 0.816 53 A HN 0.464 nan 8.150 nan 0.000 0.444 54 A N -0.680 122.181 122.820 0.067 0.000 2.019 54 A HA 0.208 4.529 4.320 0.002 0.000 0.219 54 A C 1.860 179.510 177.584 0.109 0.000 1.164 54 A CA 1.563 53.638 52.037 0.063 0.000 0.644 54 A CB -0.686 18.341 19.000 0.044 0.000 0.805 54 A HN 0.862 nan 8.150 nan 0.000 0.449 55 G N -1.366 107.553 108.800 0.199 0.000 3.936 55 G HA2 0.506 4.467 3.960 0.002 0.000 0.296 55 G HA3 0.506 4.467 3.960 0.002 0.000 0.296 55 G C 0.243 175.328 174.900 0.309 0.000 1.121 55 G CA 0.545 45.809 45.100 0.273 0.000 0.899 55 G HN 0.998 nan 8.290 nan 0.000 0.542 56 G N -0.669 108.277 108.800 0.243 0.000 2.495 56 G HA2 0.411 4.372 3.960 0.002 0.000 0.294 56 G HA3 0.411 4.372 3.960 0.002 0.000 0.294 56 G C -1.061 173.929 174.900 0.150 0.000 1.397 56 G CA -0.986 44.246 45.100 0.220 0.000 0.790 56 G HN 0.183 nan 8.290 nan 0.000 0.486 57 L N 0.335 121.642 121.223 0.140 0.000 2.461 57 L HA 0.468 4.809 4.340 0.002 0.000 0.272 57 L C 0.732 177.670 176.870 0.114 0.000 1.197 57 L CA -0.111 54.760 54.840 0.051 0.000 0.836 57 L CB 0.882 42.935 42.059 -0.010 0.000 1.105 57 L HN 0.574 nan 8.230 nan 0.000 0.477 58 R N 3.234 123.735 120.500 0.003 0.000 2.507 58 R HA 0.331 4.672 4.340 0.002 0.000 0.298 58 R C -1.453 174.886 176.300 0.065 0.000 1.087 58 R CA -0.634 55.528 56.100 0.103 0.000 0.917 58 R CB 0.752 31.041 30.300 -0.017 0.000 1.173 58 R HN 0.245 nan 8.270 nan 0.000 0.472 59 F N 1.880 121.925 119.950 0.159 0.000 2.443 59 F HA 0.164 4.692 4.527 0.002 0.000 0.353 59 F C 1.776 177.748 175.800 0.287 0.000 1.101 59 F CA 0.063 58.200 58.000 0.229 0.000 1.226 59 F CB 1.813 41.031 39.000 0.363 0.000 1.140 59 F HN 0.560 nan 8.300 nan 0.000 0.557 60 T N -3.455 111.359 114.554 0.433 0.000 2.985 60 T HA 0.189 4.540 4.350 0.002 0.000 0.254 60 T C 0.106 175.114 174.700 0.513 0.000 1.021 60 T CA 0.043 62.450 62.100 0.511 0.000 0.957 60 T CB -0.158 68.970 68.868 0.433 0.000 1.047 60 T HN 0.430 nan 8.240 nan 0.000 0.511 61 D N 0.672 121.347 120.400 0.457 0.000 2.938 61 D HA 0.365 5.007 4.640 0.002 0.000 0.369 61 D C -1.436 175.073 176.300 0.348 0.000 1.301 61 D CA -0.464 53.730 54.000 0.323 0.000 0.805 61 D CB 0.132 41.170 40.800 0.397 0.000 1.161 61 D HN 0.305 nan 8.370 nan 0.000 0.474 62 F N 1.372 121.411 119.950 0.148 0.000 2.408 62 F HA 0.481 5.009 4.527 0.002 0.000 0.344 62 F C -0.753 175.030 175.800 -0.028 0.000 1.112 62 F CA -0.379 57.698 58.000 0.128 0.000 1.096 62 F CB 0.441 39.468 39.000 0.046 0.000 1.129 62 F HN -0.048 nan 8.300 nan 0.000 0.486 63 Y N 3.340 123.620 120.300 -0.034 0.000 2.630 63 Y HA 0.679 5.230 4.550 0.001 0.000 0.337 63 Y C -0.599 175.365 175.900 0.107 0.000 1.051 63 Y CA -1.163 57.025 58.100 0.146 0.000 1.121 63 Y CB 1.892 40.508 38.460 0.259 0.000 1.299 63 Y HN 0.431 nan 8.280 nan 0.000 0.498 64 V N -1.057 119.118 119.914 0.434 0.000 2.709 64 V HA 0.481 4.602 4.120 0.002 0.000 0.308 64 V C -2.460 173.851 176.094 0.361 0.000 1.062 64 V CA -2.167 60.319 62.300 0.310 0.000 0.901 64 V CB 2.045 34.031 31.823 0.272 0.000 1.003 64 V HN 0.626 nan 8.190 nan 0.000 0.425 65 P HA -0.024 nan 4.420 nan 0.000 0.218 65 P C 0.355 177.827 177.300 0.286 0.000 1.149 65 P CA 1.047 64.292 63.100 0.242 0.000 0.817 65 P CB 0.377 32.150 31.700 0.121 0.000 0.785 66 V N -0.535 119.491 119.914 0.188 0.000 2.789 66 V HA 0.260 4.381 4.120 0.002 0.000 0.311 66 V C 0.695 176.847 176.094 0.096 0.000 1.073 66 V CA -0.502 61.873 62.300 0.125 0.000 0.921 66 V CB 1.855 33.696 31.823 0.031 0.000 1.009 66 V HN -0.118 nan 8.190 nan 0.000 0.426 67 S N 4.000 119.742 115.700 0.069 0.000 2.699 67 S HA 0.529 5.000 4.470 0.002 0.000 0.251 67 S C -0.245 174.343 174.600 -0.020 0.000 1.179 67 S CA -0.051 58.172 58.200 0.039 0.000 1.200 67 S CB -1.017 62.213 63.200 0.049 0.000 0.848 67 S HN 0.483 nan 8.310 nan 0.000 0.472 71 P HA -0.049 nan 4.420 nan 0.000 0.216 71 P C 1.725 178.974 177.300 -0.085 0.000 1.153 71 P CA 1.493 64.505 63.100 -0.147 0.000 0.848 71 P CB -0.056 31.563 31.700 -0.135 0.000 0.787 72 S N 0.014 115.698 115.700 -0.027 0.000 2.353 72 S HA -0.163 4.308 4.470 0.002 0.000 0.222 72 S C 2.173 176.830 174.600 0.094 0.000 1.035 72 S CA 1.245 59.486 58.200 0.068 0.000 1.025 72 S CB -0.609 62.664 63.200 0.121 0.000 0.902 72 S HN 0.045 nan 8.310 nan 0.000 0.440 73 R N 0.729 121.285 120.500 0.094 0.000 2.096 73 R HA 0.025 4.366 4.340 0.002 0.000 0.235 73 R C 2.624 178.857 176.300 -0.112 0.000 1.127 73 R CA 1.221 57.361 56.100 0.066 0.000 0.968 73 R CB -0.580 29.755 30.300 0.058 0.000 0.861 73 R HN 0.505 nan 8.270 nan 0.000 0.440 74 A N 1.183 123.913 122.820 -0.150 0.000 1.972 74 A HA -0.106 4.215 4.320 0.002 0.000 0.219 74 A C 2.312 179.810 177.584 -0.143 0.000 1.169 74 A CA 1.705 53.634 52.037 -0.181 0.000 0.635 74 A CB -0.489 18.396 19.000 -0.191 0.000 0.810 74 A HN 0.401 nan 8.150 nan 0.000 0.446 75 A N -0.770 121.986 122.820 -0.107 0.000 1.930 75 A HA 0.144 4.465 4.320 0.002 0.000 0.215 75 A C 2.074 179.593 177.584 -0.107 0.000 1.176 75 A CA 1.360 53.341 52.037 -0.093 0.000 0.632 75 A CB -0.515 18.454 19.000 -0.050 0.000 0.819 75 A HN 0.601 nan 8.150 nan 0.000 0.445 76 L N -0.328 120.818 121.223 -0.128 0.000 1.994 76 L HA -0.126 4.215 4.340 0.002 0.000 0.208 76 L C 2.078 178.808 176.870 -0.234 0.000 1.071 76 L CA 1.707 56.417 54.840 -0.218 0.000 0.745 76 L CB -0.350 41.447 42.059 -0.437 0.000 0.892 76 L HN 0.247 nan 8.230 nan 0.000 0.431 77 L N -0.676 120.409 121.223 -0.230 0.000 2.109 77 L HA -0.092 4.249 4.340 0.002 0.000 0.207 77 L C 2.540 179.325 176.870 -0.142 0.000 1.086 77 L CA 2.127 56.855 54.840 -0.186 0.000 0.760 77 L CB -2.103 39.879 42.059 -0.128 0.000 0.910 77 L HN 0.595 nan 8.230 nan 0.000 0.437 78 T N -4.283 110.192 114.554 -0.131 0.000 3.051 78 T HA 0.182 4.533 4.350 0.002 0.000 0.255 78 T C 1.463 176.090 174.700 -0.121 0.000 1.085 78 T CA 0.672 62.703 62.100 -0.116 0.000 1.109 78 T CB 0.275 69.080 68.868 -0.106 0.000 0.921 78 T HN 0.376 nan 8.240 nan 0.000 0.488 79 G N 1.742 110.467 108.800 -0.124 0.000 2.160 79 G HA2 -0.237 3.724 3.960 0.002 0.000 0.251 79 G HA3 -0.237 3.724 3.960 0.002 0.000 0.251 79 G C -0.013 174.813 174.900 -0.124 0.000 1.008 79 G CA 0.106 45.133 45.100 -0.121 0.000 0.724 79 G HN 0.763 nan 8.290 nan 0.000 0.514 80 R N -1.221 119.207 120.500 -0.120 0.000 2.795 80 R HA 0.637 4.978 4.340 0.002 0.000 0.275 80 R C 0.322 176.545 176.300 -0.129 0.000 0.981 80 R CA -1.161 54.863 56.100 -0.126 0.000 0.917 80 R CB 1.325 31.551 30.300 -0.124 0.000 1.202 80 R HN 0.127 nan 8.270 nan 0.000 0.469 81 L N 3.074 124.213 121.223 -0.139 0.000 2.499 81 L HA 0.056 4.397 4.340 0.002 0.000 0.273 81 L C -1.452 175.272 176.870 -0.243 0.000 1.195 81 L CA -1.141 53.598 54.840 -0.169 0.000 0.882 81 L CB 0.386 42.339 42.059 -0.177 0.000 1.133 81 L HN 0.342 nan 8.230 nan 0.000 0.483 82 P HA -0.213 nan 4.420 nan 0.000 0.218 82 P C 1.558 178.664 177.300 -0.323 0.000 1.146 82 P CA 1.102 64.050 63.100 -0.253 0.000 0.820 82 P CB 0.076 31.642 31.700 -0.223 0.000 0.778 83 V N -2.868 116.692 119.914 -0.589 0.000 2.809 83 V HA -0.123 3.998 4.120 0.002 0.000 0.256 83 V C 2.129 177.946 176.094 -0.461 0.000 1.080 83 V CA 1.216 63.009 62.300 -0.845 0.000 1.102 83 V CB -1.165 29.550 31.823 -1.847 0.000 0.705 83 V HN 0.018 nan 8.190 nan 0.000 0.475 84 R N 1.362 121.670 120.500 -0.320 0.000 2.066 84 R HA 0.058 4.399 4.340 0.002 0.000 0.232 84 R C 2.194 178.430 176.300 -0.107 0.000 1.131 84 R CA 2.005 58.003 56.100 -0.170 0.000 0.955 84 R CB -0.410 29.802 30.300 -0.148 0.000 0.851 84 R HN 0.680 nan 8.270 nan 0.000 0.432 85 M N -1.129 118.398 119.600 -0.122 0.000 2.530 85 M HA 0.312 4.793 4.480 0.002 0.000 0.231 85 M C 0.520 176.749 176.300 -0.118 0.000 1.180 85 M CA 0.824 56.061 55.300 -0.106 0.000 0.985 85 M CB 0.735 33.264 32.600 -0.118 0.000 1.623 85 M HN 0.252 nan 8.290 nan 0.000 0.475 86 G N 2.002 110.757 108.800 -0.075 0.000 2.179 86 G HA2 -0.205 3.756 3.960 0.002 0.000 0.257 86 G HA3 -0.205 3.756 3.960 0.002 0.000 0.257 86 G C 0.135 174.845 174.900 -0.317 0.000 1.010 86 G CA 0.137 45.136 45.100 -0.168 0.000 0.736 86 G HN 0.509 nan 8.290 nan 0.000 0.513 87 M N 0.373 119.874 119.600 -0.165 0.000 3.706 87 M HA 0.411 4.892 4.480 0.002 0.000 0.204 87 M C 0.182 176.404 176.300 -0.130 0.000 1.455 87 M CA -0.407 54.772 55.300 -0.203 0.000 1.659 87 M CB -1.880 30.602 32.600 -0.198 0.000 1.076 87 M HN 0.591 nan 8.290 nan 0.000 0.577 88 Y N -1.210 118.935 120.300 -0.258 0.000 2.677 88 Y HA 0.863 5.414 4.550 0.002 0.000 0.334 88 Y C -3.363 172.417 175.900 -0.200 0.000 1.196 88 Y CA -2.340 55.600 58.100 -0.266 0.000 1.059 88 Y CB 0.876 39.157 38.460 -0.297 0.000 1.315 88 Y HN 0.039 nan 8.280 nan 0.000 0.455 89 P HA 0.519 nan 4.420 nan 0.000 0.285 89 P C 0.376 177.423 177.300 -0.421 0.000 1.285 89 P CA 0.750 63.722 63.100 -0.213 0.000 0.854 89 P CB 2.014 33.602 31.700 -0.188 0.000 1.180 90 G N -0.313 108.069 108.800 -0.698 0.000 2.566 90 G HA2 -0.147 3.814 3.960 0.002 0.000 0.280 90 G HA3 -0.147 3.814 3.960 0.002 0.000 0.280 90 G C -0.249 174.505 174.900 -0.243 0.000 1.225 90 G CA 0.583 45.414 45.100 -0.449 0.000 0.966 90 G HN 0.767 nan 8.290 nan 0.000 0.560 91 V N -2.376 117.451 119.914 -0.146 0.000 3.074 91 V HA 0.835 4.956 4.120 0.002 0.000 0.314 91 V C 0.663 176.693 176.094 -0.106 0.000 1.117 91 V CA -1.245 60.945 62.300 -0.183 0.000 1.014 91 V CB 1.711 33.449 31.823 -0.141 0.000 1.057 91 V HN 0.976 nan 8.190 nan 0.000 0.438 92 L N 2.355 123.491 121.223 -0.144 0.000 2.397 92 L HA 0.622 4.963 4.340 0.002 0.000 0.271 92 L C 0.218 177.167 176.870 0.131 0.000 1.148 92 L CA -0.434 54.401 54.840 -0.008 0.000 0.825 92 L CB 1.471 43.523 42.059 -0.011 0.000 1.117 92 L HN 0.804 nan 8.230 nan 0.000 0.456 93 V N 0.303 120.229 119.914 0.020 0.000 3.093 93 V HA 0.473 4.594 4.120 0.002 0.000 0.320 93 V C -1.804 174.173 176.094 -0.195 0.000 1.093 93 V CA -1.451 60.796 62.300 -0.089 0.000 1.016 93 V CB 1.061 32.842 31.823 -0.070 0.000 1.096 93 V HN 0.587 nan 8.190 nan 0.000 0.452 94 P HA -0.143 nan 4.420 nan 0.000 0.216 94 P C 1.206 178.470 177.300 -0.061 0.000 1.150 94 P CA 2.210 65.031 63.100 -0.465 0.000 0.843 94 P CB 0.018 31.354 31.700 -0.606 0.000 0.787 95 S N -2.187 113.482 115.700 -0.053 0.000 2.660 95 S HA 0.175 4.647 4.470 0.002 0.000 0.227 95 S C 0.768 175.386 174.600 0.030 0.000 0.948 95 S CA -0.501 57.706 58.200 0.012 0.000 0.948 95 S CB -0.808 62.394 63.200 0.003 0.000 0.779 95 S HN -0.095 nan 8.310 nan 0.000 0.487 96 S N 2.046 117.765 115.700 0.033 0.000 2.549 96 S HA 0.238 4.709 4.470 0.002 0.000 0.283 96 S C 1.107 175.755 174.600 0.081 0.000 1.320 96 S CA -0.504 57.719 58.200 0.039 0.000 1.058 96 S CB 0.961 64.176 63.200 0.024 0.000 0.882 96 S HN 0.559 nan 8.310 nan 0.000 0.498 97 R N 1.873 122.412 120.500 0.064 0.000 2.200 97 R HA 0.076 4.417 4.340 0.002 0.000 0.208 97 R C 1.093 177.487 176.300 0.156 0.000 1.033 97 R CA 0.573 56.734 56.100 0.102 0.000 1.000 97 R CB -0.112 30.226 30.300 0.064 0.000 0.906 97 R HN 0.722 nan 8.270 nan 0.000 0.462 98 G N -1.348 107.484 108.800 0.052 0.000 2.753 98 G HA2 0.601 4.562 3.960 0.002 0.000 0.285 98 G HA3 0.601 4.562 3.960 0.002 0.000 0.285 98 G C -0.681 174.012 174.900 -0.345 0.000 1.344 98 G CA -0.145 44.910 45.100 -0.075 0.000 1.050 98 G HN 0.356 nan 8.290 nan 0.000 0.532 99 G N -2.039 106.269 108.800 -0.821 0.000 2.342 99 G HA2 0.501 4.462 3.960 0.002 0.000 0.297 99 G HA3 0.501 4.462 3.960 0.002 0.000 0.297 99 G C -1.581 172.801 174.900 -0.864 0.000 1.313 99 G CA -0.707 43.833 45.100 -0.932 0.000 0.830 99 G HN 1.122 nan 8.290 nan 0.000 0.506 100 L N 1.674 122.593 121.223 -0.505 0.000 2.562 100 L HA 0.410 4.751 4.340 0.002 0.000 0.271 100 L C -1.897 174.883 176.870 -0.151 0.000 1.167 100 L CA -1.127 53.556 54.840 -0.261 0.000 0.917 100 L CB -0.117 41.864 42.059 -0.129 0.000 1.187 100 L HN 0.216 nan 8.230 nan 0.000 0.482 101 P HA -0.052 nan 4.420 nan 0.000 0.263 101 P C 0.698 178.081 177.300 0.140 0.000 1.175 101 P CA 0.292 63.422 63.100 0.051 0.000 0.761 101 P CB 0.497 32.194 31.700 -0.004 0.000 0.794 102 L N 2.832 124.184 121.223 0.214 0.000 2.217 102 L HA -0.153 4.188 4.340 0.002 0.000 0.211 102 L C 2.191 179.115 176.870 0.090 0.000 1.107 102 L CA 1.254 56.195 54.840 0.168 0.000 0.783 102 L CB -0.731 41.411 42.059 0.139 0.000 0.919 102 L HN 0.509 nan 8.230 nan 0.000 0.442 103 E N -0.305 119.934 120.200 0.065 0.000 2.265 103 E HA -0.120 4.231 4.350 0.002 0.000 0.196 103 E C 0.236 176.846 176.600 0.016 0.000 0.996 103 E CA 0.416 56.834 56.400 0.031 0.000 0.832 103 E CB -0.124 29.588 29.700 0.019 0.000 0.756 103 E HN 0.371 nan 8.360 nan 0.000 0.491 104 E N 1.704 121.916 120.200 0.020 0.000 2.373 104 E HA 0.112 4.463 4.350 0.002 0.000 0.267 104 E C -0.180 176.421 176.600 0.001 0.000 1.032 104 E CA -0.153 56.245 56.400 -0.003 0.000 0.889 104 E CB 1.870 31.564 29.700 -0.011 0.000 0.984 104 E HN 0.159 nan 8.360 nan 0.000 0.425 105 V N 0.130 120.027 119.914 -0.028 0.000 2.328 105 V HA 0.348 4.469 4.120 0.002 0.000 0.278 105 V C 0.604 176.658 176.094 -0.065 0.000 1.021 105 V CA -0.930 61.345 62.300 -0.042 0.000 0.838 105 V CB 0.529 32.319 31.823 -0.055 0.000 0.999 105 V HN 0.688 nan 8.190 nan 0.000 0.447 106 T N 1.287 115.804 114.554 -0.061 0.000 2.788 106 T HA 0.300 4.651 4.350 0.002 0.000 0.280 106 T C 1.145 175.746 174.700 -0.165 0.000 0.984 106 T CA 0.350 62.398 62.100 -0.087 0.000 0.972 106 T CB 1.768 70.618 68.868 -0.031 0.000 1.039 106 T HN 0.642 nan 8.240 nan 0.000 0.530 107 V N 0.883 120.677 119.914 -0.200 0.000 2.809 107 V HA 0.072 4.193 4.120 0.002 0.000 0.256 107 V C 2.619 178.463 176.094 -0.417 0.000 1.080 107 V CA 2.039 64.155 62.300 -0.307 0.000 1.102 107 V CB -1.384 30.245 31.823 -0.323 0.000 0.705 107 V HN 1.043 nan 8.190 nan 0.000 0.475 108 A N -0.594 122.008 122.820 -0.363 0.000 1.968 108 A HA -0.141 4.180 4.320 0.002 0.000 0.217 108 A C 2.034 179.393 177.584 -0.375 0.000 1.169 108 A CA 1.532 53.277 52.037 -0.487 0.000 0.638 108 A CB -0.369 17.936 19.000 -1.158 0.000 0.812 108 A HN 0.659 nan 8.150 nan 0.000 0.446 109 E N -0.102 119.934 120.200 -0.273 0.000 2.107 109 E HA -0.119 4.232 4.350 0.002 0.000 0.191 109 E C 2.083 178.590 176.600 -0.155 0.000 0.982 109 E CA 1.452 57.752 56.400 -0.167 0.000 0.809 109 E CB -0.299 29.338 29.700 -0.104 0.000 0.756 109 E HN 0.616 nan 8.360 nan 0.000 0.459 110 V N -0.734 119.061 119.914 -0.198 0.000 2.548 110 V HA -0.143 3.978 4.120 0.002 0.000 0.249 110 V C 2.019 177.978 176.094 -0.226 0.000 1.055 110 V CA 1.257 63.445 62.300 -0.187 0.000 1.065 110 V CB -0.554 31.149 31.823 -0.200 0.000 0.681 110 V HN 0.162 nan 8.190 nan 0.000 0.462 111 L N 0.529 121.541 121.223 -0.351 0.000 2.179 111 L HA 0.147 4.488 4.340 0.002 0.000 0.208 111 L C 3.008 179.794 176.870 -0.140 0.000 1.096 111 L CA 1.179 55.740 54.840 -0.465 0.000 0.779 111 L CB -0.818 40.708 42.059 -0.888 0.000 0.922 111 L HN 0.400 nan 8.230 nan 0.000 0.443 112 A N 0.456 123.215 122.820 -0.102 0.000 1.902 112 A HA -0.139 4.182 4.320 0.002 0.000 0.217 112 A C 2.500 180.141 177.584 0.096 0.000 1.181 112 A CA 1.652 53.712 52.037 0.038 0.000 0.623 112 A CB -0.564 18.432 19.000 -0.007 0.000 0.818 112 A HN 0.371 nan 8.150 nan 0.000 0.443 113 A N -0.692 122.146 122.820 0.029 0.000 2.067 113 A HA -0.065 4.256 4.320 0.002 0.000 0.219 113 A C 2.063 179.680 177.584 0.054 0.000 1.158 113 A CA 1.762 53.820 52.037 0.035 0.000 0.661 113 A CB -0.316 18.683 19.000 -0.001 0.000 0.801 113 A HN 0.380 nan 8.150 nan 0.000 0.452 114 R N -0.349 120.195 120.500 0.073 0.000 2.310 114 R HA 0.198 4.539 4.340 0.002 0.000 0.202 114 R C 0.904 177.316 176.300 0.187 0.000 0.933 114 R CA 0.643 56.817 56.100 0.123 0.000 1.054 114 R CB -0.830 29.547 30.300 0.129 0.000 0.985 114 R HN 0.802 nan 8.270 nan 0.000 0.489 115 G N -0.216 108.693 108.800 0.182 0.000 2.255 115 G HA2 -0.277 3.684 3.960 0.002 0.000 0.239 115 G HA3 -0.277 3.684 3.960 0.002 0.000 0.239 115 G C -0.810 174.184 174.900 0.158 0.000 1.083 115 G CA -0.029 45.159 45.100 0.146 0.000 0.826 115 G HN 0.264 nan 8.290 nan 0.000 0.493 116 Y N -1.317 119.030 120.300 0.079 0.000 2.361 116 Y HA 0.614 5.165 4.550 0.002 0.000 0.332 116 Y C 0.501 176.513 175.900 0.186 0.000 1.101 116 Y CA -1.253 56.902 58.100 0.093 0.000 1.137 116 Y CB 1.740 40.215 38.460 0.024 0.000 1.207 116 Y HN 0.220 nan 8.280 nan 0.000 0.463 117 L N 5.028 126.459 121.223 0.348 0.000 2.312 117 L HA 0.309 4.650 4.340 0.002 0.000 0.287 117 L C 0.232 177.305 176.870 0.338 0.000 1.091 117 L CA -0.193 54.895 54.840 0.414 0.000 0.846 117 L CB -0.452 41.791 42.059 0.306 0.000 1.219 117 L HN 0.713 nan 8.230 nan 0.000 0.439 118 T N 1.490 116.076 114.554 0.053 0.000 2.909 118 T HA 0.846 5.197 4.350 0.002 0.000 0.289 118 T C 0.157 175.031 174.700 0.291 0.000 1.005 118 T CA -0.252 61.931 62.100 0.138 0.000 1.084 118 T CB 1.585 70.383 68.868 -0.116 0.000 0.975 118 T HN 0.855 nan 8.240 nan 0.000 0.509 119 G N 1.756 110.810 108.800 0.424 0.000 2.768 119 G HA2 0.531 4.493 3.960 0.002 0.000 0.297 119 G HA3 0.531 4.493 3.960 0.002 0.000 0.297 119 G C -1.498 173.607 174.900 0.341 0.000 1.430 119 G CA -0.915 44.449 45.100 0.440 0.000 1.030 119 G HN 0.951 nan 8.290 nan 0.000 0.553 120 M N 2.195 121.905 119.600 0.184 0.000 2.393 120 M HA 0.761 5.242 4.480 0.002 0.000 0.316 120 M C -0.840 175.418 176.300 -0.070 0.000 1.087 120 M CA -0.871 54.322 55.300 -0.179 0.000 0.937 120 M CB 2.012 34.089 32.600 -0.871 0.000 1.668 120 M HN 0.796 nan 8.290 nan 0.000 0.438 121 A N 3.783 126.490 122.820 -0.189 0.000 2.375 121 A HA 0.874 5.195 4.320 0.002 0.000 0.291 121 A C -0.162 176.995 177.584 -0.712 0.000 1.160 121 A CA 0.249 52.014 52.037 -0.453 0.000 0.747 121 A CB 0.755 19.639 19.000 -0.193 0.000 1.170 121 A HN 1.301 nan 8.150 nan 0.000 0.458 122 G N 1.271 109.565 108.800 -0.844 0.000 2.255 122 G HA2 0.091 4.052 3.960 0.002 0.000 0.216 122 G HA3 0.091 4.052 3.960 0.002 0.000 0.216 122 G C -0.388 174.320 174.900 -0.320 0.000 1.307 122 G CA -0.314 44.274 45.100 -0.853 0.000 1.162 122 G HN 0.913 nan 8.290 nan 0.000 0.494 123 K N 0.438 120.570 120.400 -0.447 0.000 2.350 123 K HA 0.309 4.630 4.320 0.002 0.000 0.279 123 K C 0.823 177.499 176.600 0.127 0.000 1.027 123 K CA -0.217 56.045 56.287 -0.041 0.000 0.969 123 K CB 0.469 32.920 32.500 -0.081 0.000 0.954 123 K HN 0.603 nan 8.250 nan 0.000 0.474 124 W N 4.454 125.768 121.300 0.024 0.000 3.008 124 W HA -0.046 4.616 4.660 0.002 0.000 0.273 124 W C 0.180 176.809 176.519 0.182 0.000 1.012 124 W CA 0.822 58.192 57.345 0.041 0.000 1.885 124 W CB 0.001 29.435 29.460 -0.043 0.000 1.150 124 W HN 0.959 nan 8.180 nan 0.000 0.564 125 H N 0.345 119.452 119.070 0.062 0.000 2.822 125 H HA -0.207 4.350 4.556 0.002 0.000 0.295 125 H C 0.104 175.248 175.328 -0.306 0.000 1.151 125 H CA 0.668 56.696 56.048 -0.034 0.000 1.151 125 H CB -1.156 28.609 29.762 0.005 0.000 1.343 125 H HN 0.140 nan 8.280 nan 0.000 0.382 126 L N 0.360 121.204 121.223 -0.632 0.000 3.110 126 L HA 0.375 4.716 4.340 0.002 0.000 0.266 126 L C 1.020 177.784 176.870 -0.175 0.000 1.257 126 L CA 0.462 54.892 54.840 -0.683 0.000 1.038 126 L CB 1.109 42.367 42.059 -1.336 0.000 1.395 126 L HN 0.511 nan 8.230 nan 0.000 0.566 127 G N -0.695 108.172 108.800 0.110 0.000 2.697 127 G HA2 -0.078 3.883 3.960 0.002 0.000 0.686 127 G HA3 -0.078 3.883 3.960 0.002 0.000 0.686 127 G C -0.292 174.954 174.900 0.577 0.000 1.179 127 G CA -0.473 44.773 45.100 0.243 0.000 0.765 127 G HN -0.230 nan 8.290 nan 0.000 0.649 128 V N 1.840 122.073 119.914 0.531 0.000 3.137 128 V HA 0.654 4.775 4.120 0.002 0.000 0.236 128 V C 2.164 178.508 176.094 0.417 0.000 1.260 128 V CA 1.906 64.476 62.300 0.450 0.000 1.244 128 V CB -0.248 31.790 31.823 0.358 0.000 1.016 128 V HN 2.897 nan 8.190 nan 0.000 0.477 129 G N 1.022 110.120 108.800 0.496 0.000 2.749 129 G HA2 -0.201 3.760 3.960 0.002 0.000 0.242 129 G HA3 -0.201 3.760 3.960 0.002 0.000 0.242 129 G C -1.616 173.341 174.900 0.096 0.000 1.364 129 G CA -0.000 45.278 45.100 0.298 0.000 0.888 129 G HN 0.285 nan 8.290 nan 0.000 0.566 130 P HA -0.017 nan 4.420 nan 0.000 0.199 130 P C 1.191 178.488 177.300 -0.004 0.000 1.085 130 P CA 1.579 64.675 63.100 -0.007 0.000 0.924 130 P CB 0.041 31.711 31.700 -0.050 0.000 0.736 131 E N -0.806 119.368 120.200 -0.042 0.000 2.320 131 E HA 0.211 4.563 4.350 0.002 0.000 0.189 131 E C 0.881 177.496 176.600 0.026 0.000 1.100 131 E CA 0.431 56.825 56.400 -0.010 0.000 1.009 131 E CB -0.880 28.803 29.700 -0.027 0.000 1.145 131 E HN 0.463 nan 8.360 nan 0.000 0.454 132 G N 1.172 109.991 108.800 0.032 0.000 2.160 132 G HA2 -0.358 3.603 3.960 0.002 0.000 0.244 132 G HA3 -0.358 3.603 3.960 0.002 0.000 0.244 132 G C 1.079 176.056 174.900 0.128 0.000 1.022 132 G CA 0.350 45.508 45.100 0.097 0.000 0.741 132 G HN 0.441 nan 8.290 nan 0.000 0.508 133 A N -0.957 121.776 122.820 -0.145 0.000 2.125 133 A HA 0.361 4.682 4.320 0.002 0.000 0.219 133 A C 1.647 179.085 177.584 -0.244 0.000 1.156 133 A CA 1.937 53.727 52.037 -0.412 0.000 0.671 133 A CB -0.328 18.266 19.000 -0.677 0.000 0.794 133 A HN 0.746 nan 8.150 nan 0.000 0.459 134 F N -0.772 119.299 119.950 0.200 0.000 2.695 134 F HA 0.361 4.890 4.527 0.002 0.000 0.303 134 F C 0.688 176.635 175.800 0.245 0.000 1.091 134 F CA -0.896 57.258 58.000 0.257 0.000 1.300 134 F CB -0.374 38.787 39.000 0.269 0.000 1.071 134 F HN -0.030 nan 8.300 nan 0.000 0.578 135 L N 1.492 122.818 121.223 0.171 0.000 2.473 135 L HA 0.049 4.390 4.340 0.002 0.000 0.268 135 L C -0.862 175.597 176.870 -0.685 0.000 1.215 135 L CA -1.440 53.168 54.840 -0.387 0.000 0.823 135 L CB 0.173 42.063 42.059 -0.281 0.000 1.099 135 L HN -0.139 nan 8.230 nan 0.000 0.483 136 P HA -0.178 nan 4.420 nan 0.000 0.218 136 P C -1.466 175.629 177.300 -0.342 0.000 1.154 136 P CA 1.670 64.115 63.100 -1.091 0.000 0.872 136 P CB -0.666 30.081 31.700 -1.588 0.000 0.790 137 P HA -0.164 nan 4.420 nan 0.000 0.219 137 P C 0.898 178.090 177.300 -0.179 0.000 1.146 137 P CA 1.543 64.514 63.100 -0.215 0.000 0.808 137 P CB -0.542 30.959 31.700 -0.333 0.000 0.779 138 H N -2.164 116.896 119.070 -0.017 0.000 2.553 138 H HA 0.149 4.706 4.556 0.002 0.000 0.265 138 H C 1.387 176.750 175.328 0.059 0.000 0.964 138 H CA 0.201 56.261 56.048 0.020 0.000 1.156 138 H CB 0.094 29.860 29.762 0.006 0.000 1.411 138 H HN 0.047 nan 8.280 nan 0.000 0.558 139 Q N -0.098 119.794 119.800 0.154 0.000 2.220 139 Q HA 0.210 4.551 4.340 0.002 0.000 0.205 139 Q C 0.895 176.928 176.000 0.054 0.000 0.865 139 Q CA 0.506 56.416 55.803 0.177 0.000 0.960 139 Q CB 1.635 30.584 28.738 0.351 0.000 1.097 139 Q HN 0.691 nan 8.270 nan 0.000 0.493 140 G N 0.379 109.183 108.800 0.007 0.000 2.211 140 G HA2 -0.208 3.753 3.960 0.002 0.000 0.201 140 G HA3 -0.208 3.753 3.960 0.002 0.000 0.201 140 G C -0.230 174.523 174.900 -0.245 0.000 0.997 140 G CA -0.660 44.361 45.100 -0.132 0.000 0.652 140 G HN 0.223 nan 8.290 nan 0.000 0.500 141 F N 1.992 121.945 119.950 0.005 0.000 2.411 141 F HA 0.617 5.145 4.527 0.002 0.000 0.350 141 F C 1.676 177.536 175.800 0.102 0.000 1.114 141 F CA -0.632 57.373 58.000 0.009 0.000 1.135 141 F CB 0.971 39.977 39.000 0.010 0.000 1.120 141 F HN -0.018 nan 8.300 nan 0.000 0.495 142 H N 2.251 121.492 119.070 0.284 0.000 2.299 142 H HA 0.088 4.645 4.556 0.002 0.000 0.302 142 H C 0.595 176.057 175.328 0.223 0.000 1.078 142 H CA 1.206 57.374 56.048 0.200 0.000 1.323 142 H CB 0.070 29.935 29.762 0.172 0.000 1.381 142 H HN 0.411 nan 8.280 nan 0.000 0.498 143 R N -0.537 120.229 120.500 0.444 0.000 2.832 143 R HA 0.458 4.800 4.340 0.002 0.000 0.271 143 R C -1.313 175.300 176.300 0.522 0.000 0.996 143 R CA -0.785 55.586 56.100 0.452 0.000 0.977 143 R CB 2.230 32.813 30.300 0.472 0.000 1.168 143 R HN 0.042 nan 8.270 nan 0.000 0.482 144 F N 1.865 121.889 119.950 0.123 0.000 2.635 144 F HA 0.478 5.006 4.527 0.002 0.000 0.314 144 F C -2.254 173.283 175.800 -0.437 0.000 1.119 144 F CA -1.171 56.696 58.000 -0.223 0.000 1.000 144 F CB 1.519 40.379 39.000 -0.234 0.000 1.278 144 F HN 0.337 nan 8.300 nan 0.000 0.446 145 L N 5.722 126.086 121.223 -1.431 0.000 2.541 145 L HA 0.936 5.277 4.340 0.002 0.000 0.266 145 L C -0.756 175.567 176.870 -0.913 0.000 0.966 145 L CA 0.397 54.504 54.840 -1.222 0.000 0.871 145 L CB 1.499 42.949 42.059 -1.016 0.000 1.232 145 L HN 1.104 nan 8.230 nan 0.000 0.408 146 G N 3.976 112.251 108.800 -0.876 0.000 2.324 146 G HA2 0.294 4.255 3.960 0.002 0.000 0.293 146 G HA3 0.294 4.255 3.960 0.002 0.000 0.293 146 G C -1.649 173.201 174.900 -0.083 0.000 1.297 146 G CA -0.807 44.178 45.100 -0.191 0.000 0.853 146 G HN 0.530 nan 8.290 nan 0.000 0.535 147 I N 1.122 121.769 120.570 0.130 0.000 2.396 147 I HA 0.275 4.446 4.170 0.002 0.000 0.292 147 I C -1.552 174.589 176.117 0.040 0.000 0.999 147 I CA -2.018 59.275 61.300 -0.012 0.000 1.310 147 I CB 2.443 40.392 38.000 -0.085 0.000 1.404 147 I HN 0.228 nan 8.210 nan 0.000 0.496 148 P HA -0.064 nan 4.420 nan 0.000 0.230 148 P C -1.117 176.202 177.300 0.032 0.000 1.158 148 P CA 1.222 64.285 63.100 -0.061 0.000 0.769 148 P CB 0.019 31.587 31.700 -0.220 0.000 0.807 149 Y N -6.322 114.042 120.300 0.107 0.000 2.914 149 Y HA 0.479 5.030 4.550 0.002 0.000 0.327 149 Y C -0.133 175.626 175.900 -0.236 0.000 1.440 149 Y CA -1.952 56.060 58.100 -0.147 0.000 1.086 149 Y CB -0.327 38.016 38.460 -0.196 0.000 1.544 149 Y HN -0.540 nan 8.280 nan 0.000 0.442 150 S N 1.942 117.477 115.700 -0.275 0.000 2.558 150 S HA -0.043 4.428 4.470 0.002 0.000 0.293 150 S C 1.051 175.576 174.600 -0.126 0.000 1.292 150 S CA 0.204 58.228 58.200 -0.294 0.000 1.063 150 S CB -0.234 62.689 63.200 -0.462 0.000 0.831 150 S HN 0.922 nan 8.310 nan 0.000 0.499 151 H N 2.296 121.232 119.070 -0.223 0.000 2.567 151 H HA -0.035 4.523 4.556 0.002 0.000 0.276 151 H C 0.832 176.053 175.328 -0.178 0.000 1.016 151 H CA 1.175 57.079 56.048 -0.241 0.000 1.186 151 H CB -0.123 29.396 29.762 -0.405 0.000 1.351 151 H HN 0.729 nan 8.280 nan 0.000 0.605 152 D N 0.731 120.890 120.400 -0.401 0.000 2.360 152 D HA -0.083 4.558 4.640 0.002 0.000 0.210 152 D C 0.291 176.548 176.300 -0.073 0.000 1.047 152 D CA -0.203 53.646 54.000 -0.252 0.000 0.854 152 D CB -0.202 40.489 40.800 -0.181 0.000 0.936 152 D HN 0.370 nan 8.370 nan 0.000 0.514 153 Q N 0.920 120.684 119.800 -0.060 0.000 3.026 153 Q HA 0.490 4.831 4.340 0.002 0.000 0.258 153 Q C -0.114 175.873 176.000 -0.022 0.000 1.388 153 Q CA -0.242 55.523 55.803 -0.063 0.000 1.000 153 Q CB 0.507 29.131 28.738 -0.189 0.000 1.634 153 Q HN 0.366 nan 8.270 nan 0.000 0.571 154 G N 2.231 111.023 108.800 -0.012 0.000 2.351 154 G HA2 0.045 4.006 3.960 0.002 0.000 0.296 154 G HA3 0.045 4.006 3.960 0.002 0.000 0.296 154 G C -3.226 171.670 174.900 -0.007 0.000 1.685 154 G CA -1.119 43.981 45.100 0.000 0.000 0.936 154 G HN 0.037 nan 8.290 nan 0.000 0.714 155 P HA 0.186 nan 4.420 nan 0.000 0.262 155 P C 1.072 178.370 177.300 -0.003 0.000 1.182 155 P CA 0.334 63.440 63.100 0.010 0.000 0.761 155 P CB 0.701 32.412 31.700 0.018 0.000 0.795 156 c N 1.340 119.942 118.600 0.004 0.000 3.240 156 c HA 0.296 4.867 4.570 0.002 0.000 0.271 156 c C 1.816 175.918 174.090 0.019 0.000 1.534 156 c CA -0.251 56.072 56.329 -0.010 0.000 1.796 156 c CB -1.039 41.442 42.510 -0.049 0.000 2.892 156 c HN 0.330 nan 8.230 nan 0.000 0.566 157 Q N 2.274 122.096 119.800 0.037 0.000 2.096 157 Q HA -0.088 4.253 4.340 0.002 0.000 0.204 157 Q C 1.777 177.805 176.000 0.047 0.000 0.982 157 Q CA 2.111 57.944 55.803 0.049 0.000 0.850 157 Q CB -0.213 28.554 28.738 0.048 0.000 0.901 157 Q HN 0.692 nan 8.270 nan 0.000 0.422 158 N N -0.574 118.152 118.700 0.043 0.000 2.392 158 N HA 0.079 4.820 4.740 0.002 0.000 0.177 158 N C -0.132 175.406 175.510 0.047 0.000 1.066 158 N CA 0.132 53.211 53.050 0.048 0.000 0.895 158 N CB 0.388 38.908 38.487 0.054 0.000 0.988 158 N HN 0.229 nan 8.380 nan 0.000 0.457 159 L N 1.113 122.352 121.223 0.025 0.000 2.456 159 L HA 0.054 4.396 4.340 0.002 0.000 0.272 159 L C 0.921 177.794 176.870 0.005 0.000 1.189 159 L CA 0.263 55.104 54.840 0.001 0.000 0.846 159 L CB 0.635 42.660 42.059 -0.057 0.000 1.111 159 L HN -0.075 nan 8.230 nan 0.000 0.475 160 T N 1.822 116.382 114.554 0.011 0.000 2.744 160 T HA 0.163 4.514 4.350 0.002 0.000 0.291 160 T C 0.749 175.379 174.700 -0.118 0.000 0.957 160 T CA -0.680 61.430 62.100 0.017 0.000 1.002 160 T CB 0.718 69.656 68.868 0.116 0.000 0.919 160 T HN 0.732 nan 8.240 nan 0.000 0.468 161 c N 4.574 123.112 118.600 -0.104 0.000 2.507 161 c HA 0.425 4.996 4.570 0.002 0.000 0.280 161 c C 0.078 173.845 174.090 -0.538 0.000 1.345 161 c CA -0.295 55.850 56.329 -0.307 0.000 1.736 161 c CB -0.791 41.578 42.510 -0.236 0.000 2.060 161 c HN 0.823 nan 8.230 nan 0.000 0.498 162 F N 1.664 121.627 119.950 0.023 0.000 2.518 162 F HA 0.433 4.961 4.527 0.002 0.000 0.323 162 F C -2.209 173.613 175.800 0.037 0.000 1.129 162 F CA -2.675 55.341 58.000 0.027 0.000 0.920 162 F CB 0.901 39.932 39.000 0.051 0.000 1.160 162 F HN -0.111 nan 8.300 nan 0.000 0.440 163 P HA 0.111 nan 4.420 nan 0.000 0.272 163 P C -2.069 175.341 177.300 0.183 0.000 1.230 163 P CA -1.020 62.202 63.100 0.204 0.000 0.788 163 P CB 0.932 32.762 31.700 0.217 0.000 0.949 164 P HA -0.005 nan 4.420 nan 0.000 0.218 164 P C 0.468 177.877 177.300 0.181 0.000 1.152 164 P CA 1.232 64.434 63.100 0.170 0.000 0.826 164 P CB 0.245 32.014 31.700 0.115 0.000 0.790 165 A N -0.634 122.276 122.820 0.149 0.000 3.165 165 A HA 0.350 4.671 4.320 0.002 0.000 0.212 165 A C -0.107 177.555 177.584 0.130 0.000 0.935 165 A CA -0.290 51.831 52.037 0.139 0.000 1.100 165 A CB -0.528 18.536 19.000 0.105 0.000 1.260 165 A HN -0.017 nan 8.150 nan 0.000 0.532 166 T N 3.188 117.839 114.554 0.161 0.000 2.727 166 T HA 0.439 4.790 4.350 0.002 0.000 0.298 166 T C -2.648 172.156 174.700 0.174 0.000 0.942 166 T CA -0.901 61.305 62.100 0.177 0.000 0.997 166 T CB 0.875 69.891 68.868 0.247 0.000 0.917 166 T HN 0.241 nan 8.240 nan 0.000 0.487 167 P HA 0.152 nan 4.420 nan 0.000 0.270 167 P C -0.452 176.927 177.300 0.133 0.000 1.223 167 P CA -0.596 62.570 63.100 0.110 0.000 0.785 167 P CB 0.382 32.138 31.700 0.094 0.000 0.923 168 c N 2.530 121.184 118.600 0.091 0.000 2.415 168 c HA 0.183 4.754 4.570 0.002 0.000 0.369 168 c C 0.720 174.892 174.090 0.137 0.000 1.279 168 c CA -0.509 55.878 56.329 0.097 0.000 1.886 168 c CB -1.058 41.455 42.510 0.005 0.000 2.468 168 c HN 0.630 nan 8.230 nan 0.000 0.553 169 D N 1.568 122.094 120.400 0.209 0.000 2.368 169 D HA 0.347 4.988 4.640 0.002 0.000 0.240 169 D C 1.068 177.556 176.300 0.313 0.000 1.169 169 D CA 0.612 54.750 54.000 0.230 0.000 0.906 169 D CB 0.755 41.696 40.800 0.235 0.000 1.187 169 D HN 0.911 nan 8.370 nan 0.000 0.435 170 G N 0.724 109.663 108.800 0.231 0.000 2.363 170 G HA2 -0.254 3.707 3.960 0.002 0.000 0.238 170 G HA3 -0.254 3.707 3.960 0.002 0.000 0.238 170 G C 1.206 176.224 174.900 0.197 0.000 1.062 170 G CA 0.781 46.025 45.100 0.240 0.000 0.629 170 G HN 1.754 nan 8.290 nan 0.000 0.514 171 G N -1.056 107.848 108.800 0.174 0.000 2.234 171 G HA2 -0.084 3.877 3.960 0.002 0.000 0.260 171 G HA3 -0.084 3.877 3.960 0.002 0.000 0.260 171 G C 1.770 176.733 174.900 0.104 0.000 0.987 171 G CA 1.287 46.453 45.100 0.110 0.000 0.625 171 G HN 2.303 nan 8.290 nan 0.000 0.532 172 c N -1.021 117.685 118.600 0.177 0.000 0.168 172 c HA -0.133 4.438 4.570 0.002 0.000 0.017 172 c C 0.539 174.694 174.090 0.109 0.000 0.171 172 c CA 0.452 56.876 56.329 0.159 0.000 0.499 172 c CB -1.155 41.371 42.510 0.025 0.000 3.212 172 c HN 0.815 nan 8.230 nan 0.000 1.118 173 D N 1.874 122.320 120.400 0.076 0.000 2.363 173 D HA 0.310 4.951 4.640 0.002 0.000 0.263 173 D C 0.470 176.786 176.300 0.028 0.000 1.258 173 D CA 0.496 54.523 54.000 0.046 0.000 0.907 173 D CB 0.359 41.172 40.800 0.021 0.000 1.107 173 D HN 0.272 nan 8.370 nan 0.000 0.495 174 Q N 0.292 120.110 119.800 0.031 0.000 2.407 174 Q HA 0.406 4.747 4.340 0.002 0.000 0.214 174 Q C 1.366 177.375 176.000 0.015 0.000 1.043 174 Q CA -0.333 55.485 55.803 0.024 0.000 0.983 174 Q CB 0.586 29.341 28.738 0.028 0.000 1.211 174 Q HN 0.713 nan 8.270 nan 0.000 0.564 175 G N 0.013 108.822 108.800 0.015 0.000 2.203 175 G HA2 -0.251 3.710 3.960 0.002 0.000 0.263 175 G HA3 -0.251 3.710 3.960 0.002 0.000 0.263 175 G C -0.187 174.717 174.900 0.006 0.000 1.012 175 G CA 0.560 45.667 45.100 0.012 0.000 0.749 175 G HN 0.303 nan 8.290 nan 0.000 0.512 176 L N -1.311 119.914 121.223 0.003 0.000 2.279 176 L HA 0.742 5.083 4.340 0.002 0.000 0.262 176 L C 0.678 177.550 176.870 0.002 0.000 1.019 176 L CA -1.413 53.425 54.840 -0.003 0.000 0.823 176 L CB 1.970 44.017 42.059 -0.021 0.000 1.358 176 L HN -0.013 nan 8.230 nan 0.000 0.432 177 V N 2.427 122.345 119.914 0.008 0.000 2.614 177 V HA 0.234 4.355 4.120 0.002 0.000 0.291 177 V C -2.021 174.068 176.094 -0.009 0.000 1.049 177 V CA -1.460 60.839 62.300 -0.001 0.000 1.038 177 V CB 1.338 33.171 31.823 0.015 0.000 0.980 177 V HN 0.525 nan 8.190 nan 0.000 0.481 178 P HA 0.079 nan 4.420 nan 0.000 0.265 178 P C -0.265 176.997 177.300 -0.064 0.000 1.187 178 P CA 0.169 63.206 63.100 -0.103 0.000 0.766 178 P CB 0.112 31.661 31.700 -0.251 0.000 0.820 179 I N 1.926 122.469 120.570 -0.046 0.000 2.742 179 I HA 0.155 4.326 4.170 0.002 0.000 0.287 179 I C -2.179 173.859 176.117 -0.132 0.000 1.186 179 I CA -1.682 59.591 61.300 -0.044 0.000 1.417 179 I CB -0.257 37.700 38.000 -0.073 0.000 1.377 179 I HN 0.151 nan 8.210 nan 0.000 0.556 180 P HA 0.201 nan 4.420 nan 0.000 0.294 180 P C -0.941 176.251 177.300 -0.181 0.000 1.294 180 P CA -0.628 62.383 63.100 -0.150 0.000 0.827 180 P CB 2.146 33.782 31.700 -0.107 0.000 0.992 181 L N 5.060 126.178 121.223 -0.174 0.000 2.288 181 L HA 0.290 4.631 4.340 0.002 0.000 0.283 181 L C -0.513 176.235 176.870 -0.204 0.000 1.072 181 L CA -0.368 54.353 54.840 -0.198 0.000 0.862 181 L CB -0.644 41.291 42.059 -0.206 0.000 1.245 181 L HN 0.240 nan 8.230 nan 0.000 0.432 182 L N 4.500 125.584 121.223 -0.232 0.000 2.371 182 L HA 0.548 4.889 4.340 0.002 0.000 0.272 182 L C 0.527 177.157 176.870 -0.401 0.000 1.124 182 L CA -0.457 54.245 54.840 -0.229 0.000 0.816 182 L CB 1.123 43.129 42.059 -0.088 0.000 1.129 182 L HN 0.717 nan 8.230 nan 0.000 0.448 183 A N 3.574 126.241 122.820 -0.255 0.000 2.322 183 A HA 0.438 4.759 4.320 0.002 0.000 0.327 183 A C 0.380 177.887 177.584 -0.129 0.000 1.394 183 A CA -0.453 51.434 52.037 -0.250 0.000 0.921 183 A CB 0.252 19.167 19.000 -0.141 0.000 1.153 183 A HN 0.961 nan 8.150 nan 0.000 0.523 184 N N 0.354 118.999 118.700 -0.092 0.000 2.065 184 N HA -0.240 4.501 4.740 0.002 0.000 0.169 184 N C 0.690 176.268 175.510 0.115 0.000 0.608 184 N CA 2.178 55.301 53.050 0.121 0.000 1.363 184 N CB -0.928 37.593 38.487 0.057 0.000 1.390 184 N HN 0.559 nan 8.380 nan 0.000 0.417 185 L N 1.031 122.269 121.223 0.025 0.000 2.640 185 L HA 0.214 4.555 4.340 0.002 0.000 0.230 185 L C 0.455 177.334 176.870 0.016 0.000 1.123 185 L CA 0.159 55.007 54.840 0.014 0.000 0.900 185 L CB 0.140 42.197 42.059 -0.004 0.000 1.146 185 L HN 0.414 nan 8.230 nan 0.000 0.484 186 S N -1.136 114.563 115.700 -0.002 0.000 2.532 186 S HA 0.601 5.072 4.470 0.002 0.000 0.301 186 S C -0.262 174.316 174.600 -0.035 0.000 1.083 186 S CA -0.820 57.374 58.200 -0.009 0.000 1.025 186 S CB 2.138 65.335 63.200 -0.006 0.000 1.056 186 S HN -0.156 nan 8.310 nan 0.000 0.494 187 V N 2.117 122.015 119.914 -0.028 0.000 2.740 187 V HA 0.171 4.292 4.120 0.002 0.000 0.303 187 V C 1.393 177.453 176.094 -0.057 0.000 1.054 187 V CA 0.283 62.554 62.300 -0.048 0.000 1.106 187 V CB 0.707 32.513 31.823 -0.028 0.000 0.957 187 V HN 1.163 nan 8.190 nan 0.000 0.486 188 E N 2.079 122.227 120.200 -0.086 0.000 2.421 188 E HA 0.489 4.840 4.350 0.002 0.000 0.209 188 E C 0.342 176.897 176.600 -0.076 0.000 0.871 188 E CA 0.675 57.025 56.400 -0.083 0.000 1.064 188 E CB 0.998 30.629 29.700 -0.115 0.000 1.075 188 E HN 0.894 nan 8.360 nan 0.000 0.513 189 A N 0.822 123.588 122.820 -0.091 0.000 2.605 189 A HA 0.522 4.843 4.320 0.002 0.000 0.294 189 A C -1.574 175.943 177.584 -0.111 0.000 1.062 189 A CA -0.529 51.456 52.037 -0.087 0.000 0.682 189 A CB 1.708 20.650 19.000 -0.096 0.000 1.278 189 A HN 0.060 nan 8.150 nan 0.000 0.410 190 Q N 1.004 120.732 119.800 -0.120 0.000 2.842 190 Q HA 0.380 4.721 4.340 0.002 0.000 0.215 190 Q C -3.128 172.708 176.000 -0.275 0.000 0.764 190 Q CA -1.091 54.605 55.803 -0.179 0.000 0.994 190 Q CB 2.357 30.995 28.738 -0.167 0.000 1.554 190 Q HN 0.500 nan 8.270 nan 0.000 0.475 191 P HA 0.404 nan 4.420 nan 0.000 0.284 191 P C -2.645 174.579 177.300 -0.126 0.000 1.258 191 P CA -1.429 61.562 63.100 -0.181 0.000 0.824 191 P CB 0.815 32.415 31.700 -0.167 0.000 1.038 192 P HA 0.045 nan 4.420 nan 0.000 0.274 192 P C -0.964 176.291 177.300 -0.075 0.000 1.256 192 P CA -0.326 62.698 63.100 -0.127 0.000 0.795 192 P CB 0.599 32.170 31.700 -0.215 0.000 1.038 193 W N 2.856 124.020 121.300 -0.226 0.000 2.433 193 W HA 0.190 4.851 4.660 0.002 0.000 0.331 193 W C 0.992 177.339 176.519 -0.287 0.000 1.110 193 W CA -0.169 57.050 57.345 -0.210 0.000 1.450 193 W CB -0.631 28.742 29.460 -0.144 0.000 1.348 193 W HN 0.255 nan 8.180 nan 0.000 0.415 194 L N 7.087 127.931 121.223 -0.632 0.000 2.043 194 L HA -0.168 4.173 4.340 0.002 0.000 0.212 194 L C -0.368 175.997 176.870 -0.842 0.000 1.075 194 L CA 1.200 55.490 54.840 -0.917 0.000 0.752 194 L CB -1.659 39.758 42.059 -1.070 0.000 0.891 194 L HN 0.245 nan 8.230 nan 0.000 0.432 195 P HA -0.060 nan 4.420 nan 0.000 0.239 195 P C 0.785 177.525 177.300 -0.935 0.000 1.184 195 P CA 1.172 63.635 63.100 -1.061 0.000 0.760 195 P CB -0.007 30.808 31.700 -1.475 0.000 0.884 196 G N -1.800 106.569 108.800 -0.718 0.000 4.213 196 G HA2 0.012 3.973 3.960 0.002 0.000 0.274 196 G HA3 0.012 3.973 3.960 0.002 0.000 0.274 196 G C 0.697 175.526 174.900 -0.118 0.000 1.033 196 G CA -0.061 44.955 45.100 -0.140 0.000 0.822 196 G HN 0.133 nan 8.290 nan 0.000 0.432 197 L N 0.771 121.829 121.223 -0.275 0.000 2.156 197 L HA 0.251 4.592 4.340 0.002 0.000 0.208 197 L C 2.364 178.964 176.870 -0.450 0.000 1.095 197 L CA 2.109 56.704 54.840 -0.409 0.000 0.770 197 L CB -0.018 41.722 42.059 -0.531 0.000 0.914 197 L HN 0.203 nan 8.230 nan 0.000 0.439 198 E N 0.108 120.226 120.200 -0.136 0.000 2.058 198 E HA -0.197 4.154 4.350 0.002 0.000 0.194 198 E C 2.172 178.781 176.600 0.016 0.000 0.997 198 E CA 1.615 58.044 56.400 0.048 0.000 0.801 198 E CB -0.390 29.422 29.700 0.187 0.000 0.746 198 E HN 0.541 nan 8.360 nan 0.000 0.450 199 A N 0.757 123.579 122.820 0.004 0.000 1.908 199 A HA -0.242 4.079 4.320 0.002 0.000 0.218 199 A C 2.216 179.789 177.584 -0.019 0.000 1.181 199 A CA 1.878 53.928 52.037 0.021 0.000 0.627 199 A CB -0.578 18.446 19.000 0.040 0.000 0.818 199 A HN 0.224 nan 8.150 nan 0.000 0.445 200 R N -1.906 118.521 120.500 -0.121 0.000 2.105 200 R HA -0.167 4.174 4.340 0.002 0.000 0.239 200 R C 1.962 178.250 176.300 -0.021 0.000 1.135 200 R CA 1.728 57.748 56.100 -0.134 0.000 0.967 200 R CB -0.439 29.693 30.300 -0.280 0.000 0.861 200 R HN 0.667 nan 8.270 nan 0.000 0.442 201 Y N -0.090 120.204 120.300 -0.010 0.000 2.220 201 Y HA -0.098 4.453 4.550 0.002 0.000 0.291 201 Y C 2.342 178.240 175.900 -0.004 0.000 1.129 201 Y CA 0.727 58.819 58.100 -0.013 0.000 1.161 201 Y CB -0.332 38.118 38.460 -0.016 0.000 0.997 201 Y HN -0.049 nan 8.280 nan 0.000 0.522 202 M N -0.508 119.159 119.600 0.112 0.000 2.117 202 M HA -0.113 4.368 4.480 0.002 0.000 0.262 202 M C 2.429 178.772 176.300 0.072 0.000 1.065 202 M CA 1.516 56.835 55.300 0.032 0.000 1.114 202 M CB -1.651 30.966 32.600 0.028 0.000 1.361 202 M HN 0.258 nan 8.290 nan 0.000 0.408 203 A N -0.091 122.777 122.820 0.081 0.000 1.877 203 A HA -0.203 4.118 4.320 0.002 0.000 0.216 203 A C 2.145 179.789 177.584 0.100 0.000 1.186 203 A CA 1.499 53.573 52.037 0.062 0.000 0.620 203 A CB -1.189 17.834 19.000 0.037 0.000 0.822 203 A HN 0.447 nan 8.150 nan 0.000 0.443 204 F N 1.128 121.076 119.950 -0.003 0.000 2.126 204 F HA -0.115 4.413 4.527 0.002 0.000 0.299 204 F C 2.411 178.197 175.800 -0.024 0.000 1.096 204 F CA 1.321 59.318 58.000 -0.005 0.000 1.255 204 F CB -0.368 38.640 39.000 0.014 0.000 0.997 204 F HN 0.248 nan 8.300 nan 0.000 0.479 205 A N -0.346 122.464 122.820 -0.017 0.000 1.873 205 A HA -0.240 4.081 4.320 0.002 0.000 0.215 205 A C 2.326 179.769 177.584 -0.235 0.000 1.186 205 A CA 1.711 53.639 52.037 -0.180 0.000 0.616 205 A CB -1.463 17.473 19.000 -0.106 0.000 0.823 205 A HN 0.633 nan 8.150 nan 0.000 0.442 206 H N 0.318 119.271 119.070 -0.196 0.000 2.387 206 H HA -0.124 4.433 4.556 0.002 0.000 0.299 206 H C 1.248 176.447 175.328 -0.215 0.000 1.090 206 H CA 1.872 57.809 56.048 -0.185 0.000 1.332 206 H CB -0.114 29.584 29.762 -0.106 0.000 1.386 206 H HN 0.403 nan 8.280 nan 0.000 0.516 207 D N 0.394 120.782 120.400 -0.020 0.000 2.117 207 D HA -0.124 4.517 4.640 0.002 0.000 0.198 207 D C 2.454 178.632 176.300 -0.203 0.000 0.982 207 D CA 0.485 54.440 54.000 -0.075 0.000 0.828 207 D CB -0.476 40.271 40.800 -0.089 0.000 0.967 207 D HN 0.281 nan 8.370 nan 0.000 0.464 208 L N 0.364 121.367 121.223 -0.368 0.000 2.012 208 L HA -0.133 4.208 4.340 0.002 0.000 0.210 208 L C 2.197 178.831 176.870 -0.393 0.000 1.073 208 L CA 1.583 56.188 54.840 -0.391 0.000 0.748 208 L CB -0.363 41.377 42.059 -0.532 0.000 0.891 208 L HN -0.019 nan 8.230 nan 0.000 0.431 209 M N -1.363 117.872 119.600 -0.608 0.000 2.132 209 M HA -0.125 4.356 4.480 0.002 0.000 0.263 209 M C 2.316 178.381 176.300 -0.391 0.000 1.065 209 M CA 1.539 56.299 55.300 -0.901 0.000 1.122 209 M CB -0.640 31.302 32.600 -1.097 0.000 1.365 209 M HN 0.427 nan 8.290 nan 0.000 0.411 210 A N 0.820 123.486 122.820 -0.257 0.000 1.858 210 A HA -0.197 4.124 4.320 0.002 0.000 0.216 210 A C 1.637 179.188 177.584 -0.055 0.000 1.190 210 A CA 2.297 54.274 52.037 -0.100 0.000 0.617 210 A CB -0.919 18.083 19.000 0.003 0.000 0.827 210 A HN 0.389 nan 8.150 nan 0.000 0.443 211 D N -0.089 120.273 120.400 -0.064 0.000 2.149 211 D HA -0.024 4.617 4.640 0.002 0.000 0.198 211 D C 2.145 178.445 176.300 -0.000 0.000 0.990 211 D CA 1.547 55.530 54.000 -0.029 0.000 0.839 211 D CB -0.225 40.554 40.800 -0.035 0.000 0.948 211 D HN 0.449 nan 8.370 nan 0.000 0.460 212 A N 0.321 123.144 122.820 0.005 0.000 1.930 212 A HA -0.222 4.099 4.320 0.002 0.000 0.217 212 A C 2.086 179.725 177.584 0.091 0.000 1.175 212 A CA 1.528 53.619 52.037 0.089 0.000 0.627 212 A CB -0.605 18.529 19.000 0.223 0.000 0.815 212 A HN 0.244 nan 8.150 nan 0.000 0.443 213 Q N 0.217 120.061 119.800 0.073 0.000 2.050 213 Q HA -0.241 4.100 4.340 0.002 0.000 0.202 213 Q C 2.303 178.326 176.000 0.040 0.000 0.980 213 Q CA 1.875 57.720 55.803 0.069 0.000 0.840 213 Q CB -0.235 28.534 28.738 0.050 0.000 0.898 213 Q HN 0.797 nan 8.270 nan 0.000 0.424 214 R N -0.379 120.136 120.500 0.025 0.000 2.148 214 R HA -0.120 4.221 4.340 0.002 0.000 0.227 214 R C 1.516 177.827 176.300 0.018 0.000 1.103 214 R CA 1.503 57.614 56.100 0.019 0.000 0.983 214 R CB -0.219 30.088 30.300 0.013 0.000 0.874 214 R HN 0.346 nan 8.270 nan 0.000 0.451 215 Q N 0.962 120.774 119.800 0.021 0.000 2.403 215 Q HA -0.021 4.321 4.340 0.002 0.000 0.203 215 Q C -0.574 175.435 176.000 0.015 0.000 0.932 215 Q CA 0.398 56.211 55.803 0.018 0.000 0.945 215 Q CB 0.178 28.929 28.738 0.022 0.000 1.045 215 Q HN 0.339 nan 8.270 nan 0.000 0.511 216 D N 0.945 121.355 120.400 0.017 0.000 2.689 216 D HA -0.203 4.438 4.640 0.002 0.000 0.237 216 D C -0.721 175.574 176.300 -0.010 0.000 1.148 216 D CA 0.663 54.667 54.000 0.007 0.000 0.656 216 D CB -0.335 40.468 40.800 0.005 0.000 1.050 216 D HN 0.162 nan 8.370 nan 0.000 0.426 217 R N 0.487 120.984 120.500 -0.005 0.000 2.575 217 R HA 0.516 4.857 4.340 0.002 0.000 0.293 217 R C -2.666 173.593 176.300 -0.069 0.000 0.983 217 R CA -2.020 54.057 56.100 -0.038 0.000 0.887 217 R CB 1.731 32.037 30.300 0.010 0.000 1.184 217 R HN -0.043 nan 8.270 nan 0.000 0.445 218 P HA 0.101 nan 4.420 nan 0.000 0.275 218 P C -1.060 176.069 177.300 -0.285 0.000 1.227 218 P CA -0.032 62.783 63.100 -0.475 0.000 0.781 218 P CB 0.424 31.509 31.700 -1.025 0.000 0.906 219 F N 1.412 121.330 119.950 -0.053 0.000 2.497 219 F HA 0.764 5.292 4.527 0.002 0.000 0.331 219 F C -1.095 174.956 175.800 0.417 0.000 1.060 219 F CA -1.618 56.477 58.000 0.159 0.000 0.989 219 F CB 1.048 40.093 39.000 0.075 0.000 1.245 219 F HN 0.135 nan 8.300 nan 0.000 0.486 220 F N 4.173 124.416 119.950 0.488 0.000 2.659 220 F HA 0.555 5.083 4.527 0.002 0.000 0.342 220 F C -2.041 173.998 175.800 0.399 0.000 1.168 220 F CA -1.695 56.516 58.000 0.352 0.000 1.003 220 F CB 1.411 40.517 39.000 0.176 0.000 1.267 220 F HN 0.613 nan 8.300 nan 0.000 0.463 221 L N 8.107 129.348 121.223 0.029 0.000 2.264 221 L HA 0.396 4.737 4.340 0.002 0.000 0.287 221 L C -1.756 175.014 176.870 -0.166 0.000 1.039 221 L CA -0.568 54.247 54.840 -0.041 0.000 0.829 221 L CB 0.421 42.547 42.059 0.113 0.000 1.211 221 L HN 0.560 nan 8.230 nan 0.000 0.427 222 Y N 5.961 126.029 120.300 -0.387 0.000 2.535 222 Y HA 0.261 4.812 4.550 0.002 0.000 0.349 222 Y C -1.369 174.513 175.900 -0.030 0.000 0.992 222 Y CA -1.061 56.895 58.100 -0.241 0.000 1.248 222 Y CB 0.124 38.482 38.460 -0.170 0.000 1.124 222 Y HN 0.606 nan 8.280 nan 0.000 0.520 223 Y N 6.015 126.198 120.300 -0.194 0.000 2.676 223 Y HA 0.616 5.167 4.550 0.002 0.000 0.338 223 Y C -0.577 175.094 175.900 -0.382 0.000 1.057 223 Y CA -1.911 56.014 58.100 -0.291 0.000 1.314 223 Y CB 0.034 38.439 38.460 -0.091 0.000 1.164 223 Y HN 0.699 nan 8.280 nan 0.000 0.509 224 A N 4.713 127.050 122.820 -0.805 0.000 2.798 224 A HA 0.387 4.708 4.320 0.002 0.000 0.316 224 A C 0.522 177.629 177.584 -0.795 0.000 1.506 224 A CA -0.199 51.412 52.037 -0.710 0.000 1.162 224 A CB -0.503 18.091 19.000 -0.675 0.000 1.138 224 A HN 0.653 nan 8.150 nan 0.000 0.532 225 S N 0.533 115.678 115.700 -0.925 0.000 2.576 225 S HA 0.090 4.561 4.470 0.002 0.000 0.272 225 S C 0.963 175.248 174.600 -0.525 0.000 1.352 225 S CA -0.259 57.472 58.200 -0.782 0.000 1.021 225 S CB 0.125 62.940 63.200 -0.642 0.000 0.887 225 S HN 0.703 nan 8.310 nan 0.000 0.542 226 H N 1.340 120.297 119.070 -0.188 0.000 2.553 226 H HA 0.131 4.688 4.556 0.002 0.000 0.265 226 H C 0.062 175.342 175.328 -0.080 0.000 0.964 226 H CA 0.051 56.066 56.048 -0.055 0.000 1.156 226 H CB -0.220 29.510 29.762 -0.054 0.000 1.411 226 H HN 0.558 nan 8.280 nan 0.000 0.558 227 H N 1.862 120.871 119.070 -0.102 0.000 2.964 227 H HA -0.036 4.521 4.556 0.002 0.000 0.328 227 H C 1.137 176.361 175.328 -0.172 0.000 1.030 227 H CA 1.275 57.178 56.048 -0.243 0.000 1.445 227 H CB 0.473 30.054 29.762 -0.301 0.000 1.449 227 H HN 0.468 nan 8.280 nan 0.000 0.581 228 T N 0.056 114.581 114.554 -0.048 0.000 5.658 228 T HA -0.233 4.119 4.350 0.002 0.000 0.271 228 T C 0.079 174.867 174.700 0.146 0.000 2.170 228 T CA 1.010 63.024 62.100 -0.143 0.000 3.657 228 T CB -2.320 66.364 68.868 -0.307 0.000 0.929 228 T HN 0.852 nan 8.240 nan 0.000 1.134 229 H N 0.465 119.632 119.070 0.161 0.000 2.479 229 H HA 0.580 5.138 4.556 0.002 0.000 0.335 229 H C -0.209 175.282 175.328 0.272 0.000 1.142 229 H CA -0.714 55.466 56.048 0.220 0.000 1.234 229 H CB 1.320 31.213 29.762 0.217 0.000 1.503 229 H HN 0.470 nan 8.280 nan 0.000 0.510 230 Y N 6.135 126.584 120.300 0.248 0.000 2.346 230 Y HA 0.285 4.837 4.550 0.002 0.000 0.330 230 Y C -2.429 173.571 175.900 0.167 0.000 1.178 230 Y CA -2.037 56.212 58.100 0.248 0.000 1.331 230 Y CB 0.783 39.311 38.460 0.114 0.000 1.253 230 Y HN 0.418 nan 8.280 nan 0.000 0.529 231 P HA 0.039 nan 4.420 nan 0.000 0.278 231 P C -1.342 176.123 177.300 0.274 0.000 1.238 231 P CA -0.339 62.565 63.100 -0.327 0.000 0.794 231 P CB 1.116 32.559 31.700 -0.427 0.000 0.955 232 Q N 2.403 122.374 119.800 0.285 0.000 2.297 232 Q HA 0.284 4.625 4.340 0.002 0.000 0.267 232 Q C 0.003 175.991 176.000 -0.021 0.000 1.006 232 Q CA 0.411 56.330 55.803 0.193 0.000 0.896 232 Q CB -0.187 28.734 28.738 0.305 0.000 1.186 232 Q HN 0.485 nan 8.270 nan 0.000 0.392 233 F N -1.109 118.664 119.950 -0.296 0.000 2.640 233 F HA 0.855 5.383 4.527 0.002 0.000 0.324 233 F C -0.246 175.260 175.800 -0.490 0.000 1.077 233 F CA -1.157 56.370 58.000 -0.790 0.000 0.965 233 F CB 1.744 40.410 39.000 -0.556 0.000 1.351 233 F HN 0.391 nan 8.300 nan 0.000 0.487 234 S N -0.540 114.973 115.700 -0.312 0.000 2.643 234 S HA 0.672 5.143 4.470 0.002 0.000 0.266 234 S C -0.958 173.704 174.600 0.102 0.000 1.130 234 S CA -0.269 57.957 58.200 0.043 0.000 0.817 234 S CB 0.916 64.270 63.200 0.258 0.000 1.107 234 S HN 1.559 nan 8.310 nan 0.000 0.471 235 G N 0.258 109.232 108.800 0.289 0.000 2.488 235 G HA2 0.423 4.384 3.960 0.002 0.000 0.318 235 G HA3 0.423 4.384 3.960 0.002 0.000 0.318 235 G C 0.340 175.329 174.900 0.147 0.000 1.188 235 G CA -0.223 44.966 45.100 0.148 0.000 0.944 235 G HN 0.836 nan 8.290 nan 0.000 0.495 236 Q N -0.241 119.598 119.800 0.066 0.000 2.234 236 Q HA -0.141 4.200 4.340 0.002 0.000 0.206 236 Q C 2.347 178.306 176.000 -0.068 0.000 0.980 236 Q CA 1.729 57.561 55.803 0.047 0.000 0.869 236 Q CB -0.111 28.665 28.738 0.063 0.000 0.912 236 Q HN 0.532 nan 8.270 nan 0.000 0.436 237 S N -0.399 115.145 115.700 -0.259 0.000 2.419 237 S HA -0.092 4.379 4.470 0.002 0.000 0.233 237 S C 0.761 174.946 174.600 -0.692 0.000 1.016 237 S CA 1.012 58.857 58.200 -0.591 0.000 0.974 237 S CB -0.028 62.583 63.200 -0.983 0.000 0.786 237 S HN 0.452 nan 8.310 nan 0.000 0.492 238 F N 0.463 120.433 119.950 0.034 0.000 2.728 238 F HA 0.496 5.024 4.527 0.002 0.000 0.314 238 F C 0.936 176.760 175.800 0.041 0.000 1.094 238 F CA -0.811 57.201 58.000 0.020 0.000 1.217 238 F CB -0.250 38.746 39.000 -0.006 0.000 1.056 238 F HN -0.045 nan 8.300 nan 0.000 0.577 239 A N 1.503 124.453 122.820 0.217 0.000 2.526 239 A HA 0.169 4.490 4.320 0.002 0.000 0.267 239 A C 0.809 178.411 177.584 0.030 0.000 1.095 239 A CA 0.152 52.283 52.037 0.157 0.000 0.775 239 A CB -0.873 18.235 19.000 0.180 0.000 1.036 239 A HN 0.592 nan 8.150 nan 0.000 0.510 240 E N 0.932 121.107 120.200 -0.041 0.000 2.320 240 E HA -0.193 4.158 4.350 0.002 0.000 0.234 240 E C 0.380 176.977 176.600 -0.004 0.000 1.183 240 E CA 0.389 56.759 56.400 -0.050 0.000 0.713 240 E CB -0.635 29.027 29.700 -0.062 0.000 1.226 240 E HN 0.708 nan 8.360 nan 0.000 0.382 241 R N -0.972 119.544 120.500 0.028 0.000 2.521 241 R HA 0.091 4.432 4.340 0.002 0.000 0.289 241 R C 1.963 178.289 176.300 0.043 0.000 0.936 241 R CA 1.025 57.148 56.100 0.039 0.000 1.089 241 R CB 0.501 30.837 30.300 0.060 0.000 1.348 241 R HN 0.321 nan 8.270 nan 0.000 0.536 242 S N -1.217 114.504 115.700 0.035 0.000 2.404 242 S HA 0.117 4.588 4.470 0.002 0.000 0.223 242 S C 1.496 176.110 174.600 0.024 0.000 1.040 242 S CA 0.998 59.213 58.200 0.025 0.000 0.957 242 S CB 0.374 63.576 63.200 0.004 0.000 0.826 242 S HN 0.328 nan 8.310 nan 0.000 0.491 243 G N 1.463 110.276 108.800 0.021 0.000 2.195 243 G HA2 -0.246 3.715 3.960 0.002 0.000 0.224 243 G HA3 -0.246 3.715 3.960 0.002 0.000 0.224 243 G C 0.737 175.661 174.900 0.039 0.000 0.990 243 G CA 0.223 45.339 45.100 0.027 0.000 0.639 243 G HN 0.577 nan 8.290 nan 0.000 0.514 244 R N 0.587 121.113 120.500 0.044 0.000 2.509 244 R HA 0.482 4.823 4.340 0.002 0.000 0.300 244 R C 1.443 177.783 176.300 0.066 0.000 0.985 244 R CA 1.186 57.328 56.100 0.069 0.000 1.092 244 R CB -0.151 30.199 30.300 0.083 0.000 1.237 244 R HN 1.619 nan 8.270 nan 0.000 0.546 245 G N 0.797 109.613 108.800 0.026 0.000 2.642 245 G HA2 -0.276 3.685 3.960 0.002 0.000 0.231 245 G HA3 -0.276 3.685 3.960 0.002 0.000 0.231 245 G C -1.878 173.016 174.900 -0.010 0.000 1.338 245 G CA -0.324 44.774 45.100 -0.003 0.000 0.883 245 G HN 0.092 nan 8.290 nan 0.000 0.570 246 P HA -0.114 nan 4.420 nan 0.000 0.215 246 P C 1.817 179.219 177.300 0.171 0.000 1.163 246 P CA 2.319 65.436 63.100 0.028 0.000 0.894 246 P CB -0.116 31.652 31.700 0.114 0.000 0.791 247 F N 0.131 120.113 119.950 0.052 0.000 2.171 247 F HA -0.072 4.456 4.527 0.002 0.000 0.300 247 F C 2.198 177.972 175.800 -0.044 0.000 1.090 247 F CA 1.966 59.978 58.000 0.021 0.000 1.293 247 F CB -0.943 38.059 39.000 0.003 0.000 1.013 247 F HN -0.155 nan 8.300 nan 0.000 0.486 248 G N -0.176 108.688 108.800 0.108 0.000 2.418 248 G HA2 -0.252 3.709 3.960 0.002 0.000 0.217 248 G HA3 -0.252 3.709 3.960 0.002 0.000 0.217 248 G C 1.359 176.188 174.900 -0.118 0.000 1.158 248 G CA 1.018 46.113 45.100 -0.007 0.000 0.771 248 G HN 0.331 nan 8.290 nan 0.000 0.545 249 D N 0.441 120.805 120.400 -0.060 0.000 2.117 249 D HA -0.109 4.532 4.640 0.002 0.000 0.197 249 D C 2.634 178.813 176.300 -0.201 0.000 0.987 249 D CA 1.367 55.354 54.000 -0.021 0.000 0.829 249 D CB -0.343 40.528 40.800 0.120 0.000 0.961 249 D HN 0.311 nan 8.370 nan 0.000 0.460 250 S N 0.090 115.617 115.700 -0.289 0.000 2.383 250 S HA -0.123 4.348 4.470 0.002 0.000 0.227 250 S C 1.841 175.860 174.600 -0.969 0.000 1.026 250 S CA 0.447 58.241 58.200 -0.677 0.000 0.981 250 S CB -0.153 62.746 63.200 -0.502 0.000 0.818 250 S HN 0.126 nan 8.310 nan 0.000 0.472 251 L N 1.302 122.102 121.223 -0.705 0.000 2.109 251 L HA 0.232 4.573 4.340 0.002 0.000 0.207 251 L C 2.326 178.916 176.870 -0.466 0.000 1.086 251 L CA 1.893 56.389 54.840 -0.573 0.000 0.760 251 L CB -0.674 41.106 42.059 -0.466 0.000 0.910 251 L HN 0.450 nan 8.230 nan 0.000 0.437 252 M N -0.916 118.437 119.600 -0.412 0.000 2.213 252 M HA -0.232 4.249 4.480 0.002 0.000 0.263 252 M C 2.152 178.081 176.300 -0.617 0.000 1.062 252 M CA 1.936 57.039 55.300 -0.328 0.000 1.105 252 M CB -0.067 32.457 32.600 -0.126 0.000 1.385 252 M HN 0.458 nan 8.290 nan 0.000 0.417 253 E N 0.232 119.809 120.200 -1.037 0.000 2.072 253 E HA -0.197 4.154 4.350 0.002 0.000 0.190 253 E C 2.051 178.267 176.600 -0.641 0.000 0.982 253 E CA 0.937 56.459 56.400 -1.464 0.000 0.803 253 E CB -0.192 28.746 29.700 -1.270 0.000 0.755 253 E HN 0.582 nan 8.360 nan 0.000 0.453 254 L N 1.105 122.012 121.223 -0.527 0.000 2.046 254 L HA -0.209 4.132 4.340 0.002 0.000 0.208 254 L C 1.999 178.801 176.870 -0.114 0.000 1.077 254 L CA 2.345 57.106 54.840 -0.131 0.000 0.747 254 L CB -0.488 41.490 42.059 -0.133 0.000 0.896 254 L HN 0.269 nan 8.230 nan 0.000 0.432 255 D N -0.325 119.939 120.400 -0.226 0.000 2.097 255 D HA -0.171 4.470 4.640 0.002 0.000 0.197 255 D C 2.143 178.375 176.300 -0.113 0.000 0.984 255 D CA 1.483 55.371 54.000 -0.187 0.000 0.826 255 D CB 0.148 40.836 40.800 -0.187 0.000 0.973 255 D HN 0.378 nan 8.370 nan 0.000 0.460 256 A N 0.457 123.210 122.820 -0.110 0.000 1.933 256 A HA 0.037 4.359 4.320 0.002 0.000 0.218 256 A C 2.379 179.984 177.584 0.036 0.000 1.175 256 A CA 2.009 54.058 52.037 0.021 0.000 0.628 256 A CB -1.087 18.027 19.000 0.189 0.000 0.814 256 A HN 0.341 nan 8.150 nan 0.000 0.444 257 A N -0.534 122.299 122.820 0.022 0.000 1.978 257 A HA -0.018 4.303 4.320 0.002 0.000 0.220 257 A C 2.183 179.796 177.584 0.049 0.000 1.170 257 A CA 1.837 53.915 52.037 0.068 0.000 0.636 257 A CB -0.791 18.315 19.000 0.176 0.000 0.810 257 A HN 0.403 nan 8.150 nan 0.000 0.448 258 V N -0.321 119.619 119.914 0.043 0.000 2.453 258 V HA -0.123 3.998 4.120 0.002 0.000 0.247 258 V C 2.787 178.868 176.094 -0.022 0.000 1.048 258 V CA 1.746 64.055 62.300 0.015 0.000 1.049 258 V CB -1.361 30.421 31.823 -0.070 0.000 0.672 258 V HN 0.596 nan 8.190 nan 0.000 0.457 259 G N 0.644 109.430 108.800 -0.024 0.000 2.418 259 G HA2 -0.285 3.676 3.960 0.002 0.000 0.217 259 G HA3 -0.285 3.676 3.960 0.002 0.000 0.217 259 G C 1.813 176.717 174.900 0.007 0.000 1.158 259 G CA 1.727 46.816 45.100 -0.018 0.000 0.771 259 G HN 0.564 nan 8.290 nan 0.000 0.545 260 T N -0.006 114.564 114.554 0.026 0.000 2.788 260 T HA 0.016 4.367 4.350 0.002 0.000 0.268 260 T C 2.435 177.149 174.700 0.024 0.000 1.044 260 T CA 1.064 63.186 62.100 0.037 0.000 1.139 260 T CB -0.341 68.558 68.868 0.052 0.000 0.867 260 T HN 0.182 nan 8.240 nan 0.000 0.454 261 L N -0.384 120.839 121.223 0.001 0.000 2.131 261 L HA -0.017 4.325 4.340 0.002 0.000 0.210 261 L C 2.965 179.841 176.870 0.010 0.000 1.092 261 L CA 0.951 55.784 54.840 -0.012 0.000 0.759 261 L CB -0.601 41.452 42.059 -0.011 0.000 0.903 261 L HN 0.236 nan 8.230 nan 0.000 0.435 262 M N -0.893 118.712 119.600 0.009 0.000 2.156 262 M HA -0.102 4.379 4.480 0.002 0.000 0.264 262 M C 2.370 178.692 176.300 0.035 0.000 1.067 262 M CA 1.640 56.950 55.300 0.017 0.000 1.131 262 M CB -1.475 31.099 32.600 -0.043 0.000 1.368 262 M HN 0.174 nan 8.290 nan 0.000 0.416 263 T N 1.309 115.880 114.554 0.029 0.000 2.746 263 T HA -0.061 4.290 4.350 0.002 0.000 0.267 263 T C 1.959 176.684 174.700 0.042 0.000 1.039 263 T CA 1.666 63.791 62.100 0.042 0.000 1.142 263 T CB -0.370 68.527 68.868 0.047 0.000 0.866 263 T HN 0.460 nan 8.240 nan 0.000 0.444 264 A N 1.262 124.095 122.820 0.021 0.000 1.902 264 A HA -0.026 4.295 4.320 0.002 0.000 0.217 264 A C 2.281 179.811 177.584 -0.090 0.000 1.181 264 A CA 1.267 53.265 52.037 -0.065 0.000 0.623 264 A CB -0.806 18.085 19.000 -0.183 0.000 0.818 264 A HN 0.538 nan 8.150 nan 0.000 0.443 265 I N -0.411 120.148 120.570 -0.018 0.000 2.493 265 I HA -0.158 4.013 4.170 0.002 0.000 0.254 265 I C 2.546 178.709 176.117 0.077 0.000 1.160 265 I CA 0.919 62.252 61.300 0.055 0.000 1.445 265 I CB -0.444 37.637 38.000 0.135 0.000 1.086 265 I HN 0.410 nan 8.210 nan 0.000 0.433 266 G N 0.348 109.191 108.800 0.071 0.000 2.403 266 G HA2 -0.179 3.782 3.960 0.002 0.000 0.216 266 G HA3 -0.179 3.782 3.960 0.002 0.000 0.216 266 G C 1.229 176.167 174.900 0.064 0.000 1.154 266 G CA 0.482 45.630 45.100 0.080 0.000 0.784 266 G HN 0.264 nan 8.290 nan 0.000 0.538 267 D N 0.652 121.082 120.400 0.050 0.000 2.178 267 D HA -0.032 4.609 4.640 0.002 0.000 0.202 267 D C 2.397 178.723 176.300 0.044 0.000 0.974 267 D CA 0.482 54.513 54.000 0.053 0.000 0.841 267 D CB -0.058 40.786 40.800 0.074 0.000 0.953 267 D HN 0.310 nan 8.370 nan 0.000 0.478 268 L N -0.329 120.911 121.223 0.028 0.000 2.558 268 L HA 0.182 4.524 4.340 0.002 0.000 0.225 268 L C 1.101 178.005 176.870 0.058 0.000 1.128 268 L CA 0.188 55.047 54.840 0.031 0.000 0.868 268 L CB -0.279 41.783 42.059 0.006 0.000 1.006 268 L HN 0.023 nan 8.230 nan 0.000 0.454 269 G N 1.217 110.058 108.800 0.068 0.000 2.333 269 G HA2 -0.269 3.692 3.960 0.002 0.000 0.296 269 G HA3 -0.269 3.692 3.960 0.002 0.000 0.296 269 G C 0.383 175.341 174.900 0.096 0.000 1.059 269 G CA 0.208 45.355 45.100 0.079 0.000 1.050 269 G HN 0.390 nan 8.290 nan 0.000 0.508 270 L N -0.823 120.470 121.223 0.117 0.000 2.858 270 L HA 0.322 4.663 4.340 0.002 0.000 0.251 270 L C 2.662 179.630 176.870 0.164 0.000 1.149 270 L CA -0.407 54.516 54.840 0.137 0.000 0.955 270 L CB -0.076 42.082 42.059 0.166 0.000 1.289 270 L HN 0.320 nan 8.230 nan 0.000 0.542 271 L N 0.493 121.823 121.223 0.178 0.000 2.011 271 L HA -0.312 4.029 4.340 0.002 0.000 0.225 271 L C 2.055 179.080 176.870 0.259 0.000 1.084 271 L CA 1.908 56.886 54.840 0.230 0.000 0.791 271 L CB -0.381 41.809 42.059 0.218 0.000 0.898 271 L HN 0.413 nan 8.230 nan 0.000 0.440 272 E N -0.673 119.671 120.200 0.241 0.000 2.502 272 E HA -0.100 4.252 4.350 0.002 0.000 0.194 272 E C 0.929 177.799 176.600 0.451 0.000 1.062 272 E CA 0.301 56.900 56.400 0.332 0.000 0.867 272 E CB 0.143 29.980 29.700 0.229 0.000 0.888 272 E HN 0.588 nan 8.360 nan 0.000 0.510 273 E N 0.372 120.746 120.200 0.289 0.000 2.558 273 E HA 0.100 4.451 4.350 0.002 0.000 0.205 273 E C -0.566 176.033 176.600 -0.002 0.000 1.006 273 E CA 0.065 56.581 56.400 0.193 0.000 0.961 273 E CB 1.087 30.855 29.700 0.112 0.000 1.044 273 E HN -0.098 nan 8.360 nan 0.000 0.465 274 T N 1.260 115.791 114.554 -0.038 0.000 2.928 274 T HA 0.315 4.667 4.350 0.002 0.000 0.296 274 T C -1.286 173.178 174.700 -0.394 0.000 1.000 274 T CA -0.663 61.307 62.100 -0.217 0.000 0.989 274 T CB 1.703 70.577 68.868 0.009 0.000 1.005 274 T HN -0.035 nan 8.240 nan 0.000 0.442 275 L N 5.078 125.940 121.223 -0.602 0.000 2.265 275 L HA 0.687 5.029 4.340 0.002 0.000 0.289 275 L C -0.907 175.921 176.870 -0.070 0.000 1.033 275 L CA -0.324 54.206 54.840 -0.517 0.000 0.814 275 L CB 0.609 42.188 42.059 -0.800 0.000 1.203 275 L HN 0.454 nan 8.230 nan 0.000 0.423 276 V N 6.847 126.850 119.914 0.148 0.000 2.435 276 V HA 0.526 4.647 4.120 0.002 0.000 0.290 276 V C 0.126 176.370 176.094 0.250 0.000 1.030 276 V CA -0.417 62.020 62.300 0.229 0.000 0.881 276 V CB 1.558 33.551 31.823 0.285 0.000 0.983 276 V HN 0.625 nan 8.190 nan 0.000 0.445 277 I N 4.728 125.432 120.570 0.223 0.000 2.533 277 I HA 0.465 4.636 4.170 0.002 0.000 0.290 277 I C -1.280 174.977 176.117 0.233 0.000 1.056 277 I CA -0.399 61.024 61.300 0.204 0.000 1.057 277 I CB 2.179 40.255 38.000 0.127 0.000 1.240 277 I HN 0.548 nan 8.210 nan 0.000 0.423 278 F N 5.366 125.345 119.950 0.050 0.000 2.482 278 F HA 0.765 5.293 4.527 0.002 0.000 0.331 278 F C -0.480 175.287 175.800 -0.056 0.000 1.115 278 F CA 0.149 58.167 58.000 0.031 0.000 0.955 278 F CB 1.730 40.750 39.000 0.033 0.000 1.136 278 F HN 0.451 nan 8.300 nan 0.000 0.452 279 T N 3.170 117.248 114.554 -0.793 0.000 2.711 279 T HA 0.803 5.154 4.350 0.002 0.000 0.302 279 T C -1.419 172.875 174.700 -0.677 0.000 1.373 279 T CA -0.683 61.057 62.100 -0.601 0.000 1.000 279 T CB 1.269 69.976 68.868 -0.269 0.000 1.483 279 T HN 0.752 nan 8.240 nan 0.000 0.499 280 A N 0.518 123.055 122.820 -0.471 0.000 2.430 280 A HA 0.717 5.038 4.320 0.002 0.000 0.300 280 A C 0.555 177.771 177.584 -0.614 0.000 1.124 280 A CA -0.540 51.129 52.037 -0.612 0.000 0.766 280 A CB 1.064 19.843 19.000 -0.369 0.000 1.328 280 A HN 0.880 nan 8.150 nan 0.000 0.424 281 D N 0.105 120.001 120.400 -0.840 0.000 2.194 281 D HA -0.027 4.614 4.640 0.002 0.000 0.204 281 D C 0.286 176.527 176.300 -0.099 0.000 0.964 281 D CA 1.331 55.057 54.000 -0.456 0.000 0.846 281 D CB -0.118 40.421 40.800 -0.434 0.000 0.962 281 D HN 0.684 nan 8.370 nan 0.000 0.490 282 N N -1.433 117.201 118.700 -0.110 0.000 3.116 282 N HA 0.262 5.003 4.740 0.002 0.000 0.244 282 N C 0.158 175.651 175.510 -0.029 0.000 1.485 282 N CA -0.577 52.455 53.050 -0.030 0.000 0.884 282 N CB 0.920 39.391 38.487 -0.026 0.000 1.415 282 N HN 0.023 nan 8.380 nan 0.000 0.524 283 G N -0.090 108.711 108.800 0.001 0.000 2.744 283 G HA2 0.261 4.222 3.960 0.002 0.000 0.257 283 G HA3 0.261 4.222 3.960 0.002 0.000 0.257 283 G C -2.338 172.561 174.900 -0.002 0.000 1.244 283 G CA -0.630 44.475 45.100 0.009 0.000 0.916 283 G HN 0.535 nan 8.290 nan 0.000 0.564 284 P HA 0.120 nan 4.420 nan 0.000 0.276 284 P C -0.566 176.732 177.300 -0.003 0.000 1.230 284 P CA -0.072 63.024 63.100 -0.006 0.000 0.776 284 P CB 1.232 32.910 31.700 -0.037 0.000 0.888 285 E N 2.025 122.222 120.200 -0.006 0.000 1.893 285 E HA 0.079 4.430 4.350 0.002 0.000 0.269 285 E C 0.988 177.590 176.600 0.003 0.000 1.129 285 E CA -0.179 56.234 56.400 0.020 0.000 0.904 285 E CB 0.055 29.757 29.700 0.002 0.000 1.077 285 E HN 0.397 nan 8.360 nan 0.000 0.407 286 T N 1.365 115.926 114.554 0.013 0.000 3.113 286 T HA -0.154 4.197 4.350 0.002 0.000 0.263 286 T C 1.689 176.380 174.700 -0.015 0.000 1.143 286 T CA 0.790 62.883 62.100 -0.011 0.000 1.090 286 T CB -0.235 68.635 68.868 0.003 0.000 0.922 286 T HN 0.616 nan 8.240 nan 0.000 0.521 287 M N -0.106 119.488 119.600 -0.009 0.000 2.394 287 M HA 0.237 4.718 4.480 0.002 0.000 0.264 287 M C 1.825 178.085 176.300 -0.066 0.000 1.073 287 M CA 0.847 56.122 55.300 -0.042 0.000 1.111 287 M CB -0.178 32.390 32.600 -0.054 0.000 1.401 287 M HN -0.097 nan 8.290 nan 0.000 0.448 288 R N 1.203 121.666 120.500 -0.061 0.000 2.323 288 R HA 0.239 4.580 4.340 0.002 0.000 0.198 288 R C 0.929 177.209 176.300 -0.034 0.000 0.988 288 R CA 0.494 56.555 56.100 -0.065 0.000 1.041 288 R CB -0.935 29.351 30.300 -0.023 0.000 0.926 288 R HN 0.677 nan 8.270 nan 0.000 0.476 289 M N -1.038 118.537 119.600 -0.041 0.000 7.319 289 M HA -0.375 4.106 4.480 0.002 0.000 0.311 289 M C 1.386 177.661 176.300 -0.042 0.000 0.480 289 M CA 1.904 57.181 55.300 -0.037 0.000 1.311 289 M CB -1.547 31.037 32.600 -0.028 0.000 0.421 289 M HN -0.010 nan 8.290 nan 0.000 0.799 290 S N 0.088 115.775 115.700 -0.021 0.000 2.488 290 S HA -0.086 4.385 4.470 0.002 0.000 0.246 290 S C 1.276 175.881 174.600 0.009 0.000 0.992 290 S CA 1.599 59.790 58.200 -0.015 0.000 0.963 290 S CB -0.480 62.725 63.200 0.008 0.000 0.754 290 S HN 0.320 nan 8.310 nan 0.000 0.519 291 R N 0.489 121.017 120.500 0.046 0.000 2.427 291 R HA 0.230 4.571 4.340 0.002 0.000 0.262 291 R C 0.845 177.255 176.300 0.183 0.000 0.943 291 R CA -0.153 56.042 56.100 0.160 0.000 1.081 291 R CB 0.633 31.047 30.300 0.190 0.000 1.166 291 R HN 0.256 nan 8.270 nan 0.000 0.534 292 G N -0.935 107.829 108.800 -0.061 0.000 2.644 292 G HA2 0.518 4.479 3.960 0.002 0.000 0.307 292 G HA3 0.518 4.479 3.960 0.002 0.000 0.307 292 G C -0.146 174.295 174.900 -0.765 0.000 1.250 292 G CA -0.593 44.408 45.100 -0.166 0.000 0.996 292 G HN 0.133 nan 8.290 nan 0.000 0.489 293 G N -2.036 106.416 108.800 -0.580 0.000 2.611 293 G HA2 0.404 4.365 3.960 0.002 0.000 0.273 293 G HA3 0.404 4.365 3.960 0.002 0.000 0.273 293 G C -0.531 174.147 174.900 -0.371 0.000 1.305 293 G CA 0.077 44.770 45.100 -0.679 0.000 1.010 293 G HN 1.024 nan 8.290 nan 0.000 0.509 294 C N -0.168 119.012 119.300 -0.200 0.000 2.431 294 C HA 0.595 5.056 4.460 0.002 0.000 0.321 294 C C 1.522 176.528 174.990 0.026 0.000 1.202 294 C CA -0.050 58.937 59.018 -0.051 0.000 1.398 294 C CB 0.711 28.486 27.740 0.057 0.000 2.047 294 C HN 0.869 nan 8.230 nan 0.000 0.465 295 S N 4.254 119.972 115.700 0.030 0.000 2.562 295 S HA 0.409 4.880 4.470 0.002 0.000 0.221 295 S C 1.235 175.906 174.600 0.118 0.000 0.975 295 S CA 0.947 59.187 58.200 0.067 0.000 0.918 295 S CB -0.341 62.873 63.200 0.022 0.000 0.772 295 S HN 2.348 nan 8.310 nan 0.000 0.531 296 G N 2.891 111.753 108.800 0.102 0.000 2.531 296 G HA2 -0.359 3.602 3.960 0.002 0.000 0.274 296 G HA3 -0.359 3.602 3.960 0.002 0.000 0.274 296 G C 0.647 175.587 174.900 0.066 0.000 1.159 296 G CA 0.218 45.390 45.100 0.121 0.000 0.969 296 G HN 1.165 nan 8.290 nan 0.000 0.554 297 L N 0.033 121.306 121.223 0.084 0.000 2.418 297 L HA 0.516 4.857 4.340 0.002 0.000 0.218 297 L C 1.459 178.308 176.870 -0.034 0.000 1.125 297 L CA 0.069 54.922 54.840 0.021 0.000 0.835 297 L CB -0.420 41.663 42.059 0.040 0.000 0.953 297 L HN 0.439 nan 8.230 nan 0.000 0.454 298 L N 1.249 122.447 121.223 -0.041 0.000 2.473 298 L HA 0.198 4.539 4.340 0.002 0.000 0.268 298 L C 0.666 177.473 176.870 -0.106 0.000 1.215 298 L CA -0.135 54.642 54.840 -0.105 0.000 0.823 298 L CB 0.219 42.189 42.059 -0.149 0.000 1.099 298 L HN 0.205 nan 8.230 nan 0.000 0.483 299 R N 0.325 120.739 120.500 -0.143 0.000 2.349 299 R HA 0.360 4.701 4.340 0.002 0.000 0.299 299 R C -0.159 176.047 176.300 -0.157 0.000 1.027 299 R CA -0.270 55.702 56.100 -0.214 0.000 0.958 299 R CB 0.779 30.857 30.300 -0.370 0.000 1.047 299 R HN 0.876 nan 8.270 nan 0.000 0.468 300 c N 0.603 119.095 118.600 -0.181 0.000 0.168 300 c HA -0.183 4.388 4.570 0.002 0.000 0.017 300 c C 1.092 175.190 174.090 0.014 0.000 0.171 300 c CA 0.142 56.428 56.329 -0.071 0.000 0.499 300 c CB -1.604 40.905 42.510 -0.002 0.000 3.212 300 c HN 1.067 nan 8.230 nan 0.000 1.118 301 G N -0.609 108.236 108.800 0.074 0.000 2.635 301 G HA2 0.514 4.475 3.960 0.002 0.000 0.194 301 G HA3 0.514 4.475 3.960 0.002 0.000 0.194 301 G C -1.065 173.886 174.900 0.084 0.000 1.198 301 G CA 0.184 45.322 45.100 0.064 0.000 0.972 301 G HN 1.067 nan 8.290 nan 0.000 0.520 302 K N 0.496 120.932 120.400 0.059 0.000 2.524 302 K HA 0.351 4.672 4.320 0.002 0.000 0.279 302 K C 1.285 177.934 176.600 0.081 0.000 0.993 302 K CA 1.629 57.932 56.287 0.026 0.000 1.030 302 K CB -0.004 32.470 32.500 -0.044 0.000 0.891 302 K HN 1.786 nan 8.250 nan 0.000 0.488 303 G N 2.274 111.104 108.800 0.050 0.000 2.241 303 G HA2 -0.295 3.666 3.960 0.002 0.000 0.244 303 G HA3 -0.295 3.666 3.960 0.002 0.000 0.244 303 G C 0.159 175.155 174.900 0.161 0.000 0.998 303 G CA 0.524 45.705 45.100 0.135 0.000 0.621 303 G HN 0.882 nan 8.290 nan 0.000 0.519 304 T N -1.776 112.874 114.554 0.160 0.000 2.944 304 T HA 0.598 4.949 4.350 0.002 0.000 0.284 304 T C 1.299 176.056 174.700 0.095 0.000 1.010 304 T CA 0.823 63.027 62.100 0.173 0.000 1.025 304 T CB 1.628 70.685 68.868 0.315 0.000 1.079 304 T HN 0.835 nan 8.240 nan 0.000 0.516 305 T N -1.716 112.849 114.554 0.018 0.000 3.169 305 T HA 0.192 4.543 4.350 0.002 0.000 0.250 305 T C 0.158 174.770 174.700 -0.146 0.000 1.111 305 T CA -0.271 61.800 62.100 -0.048 0.000 1.010 305 T CB -0.824 68.087 68.868 0.072 0.000 0.984 305 T HN 0.592 nan 8.240 nan 0.000 0.537 306 Y N 2.220 122.558 120.300 0.063 0.000 2.330 306 Y HA 0.245 4.796 4.550 0.001 0.000 0.341 306 Y C 1.866 177.719 175.900 -0.078 0.000 1.278 306 Y CA -0.907 57.207 58.100 0.023 0.000 1.453 306 Y CB 0.523 38.972 38.460 -0.018 0.000 1.342 306 Y HN -0.044 nan 8.280 nan 0.000 0.590 307 E N 1.389 121.641 120.200 0.087 0.000 2.097 307 E HA -0.205 4.146 4.350 0.002 0.000 0.196 307 E C 2.250 178.823 176.600 -0.046 0.000 1.000 307 E CA 1.452 57.840 56.400 -0.021 0.000 0.804 307 E CB -0.669 28.993 29.700 -0.063 0.000 0.740 307 E HN 1.030 nan 8.360 nan 0.000 0.454 308 G N 0.446 109.238 108.800 -0.013 0.000 2.479 308 G HA2 -0.211 3.750 3.960 0.002 0.000 0.220 308 G HA3 -0.211 3.750 3.960 0.002 0.000 0.220 308 G C 1.529 176.444 174.900 0.025 0.000 1.115 308 G CA 1.061 46.157 45.100 -0.007 0.000 0.757 308 G HN 0.410 nan 8.290 nan 0.000 0.560 309 G N -0.343 108.485 108.800 0.047 0.000 2.719 309 G HA2 0.164 4.125 3.960 0.002 0.000 0.211 309 G HA3 0.164 4.125 3.960 0.002 0.000 0.211 309 G C 1.550 176.479 174.900 0.047 0.000 1.140 309 G CA 1.189 46.320 45.100 0.051 0.000 0.790 309 G HN 0.691 nan 8.290 nan 0.000 0.529 310 V N -2.767 117.166 119.914 0.032 0.000 3.523 310 V HA 0.451 4.572 4.120 0.002 0.000 0.255 310 V C 0.944 177.122 176.094 0.139 0.000 1.226 310 V CA -0.213 62.151 62.300 0.107 0.000 1.092 310 V CB -0.081 31.767 31.823 0.042 0.000 0.817 310 V HN 0.093 nan 8.190 nan 0.000 0.458 311 R N 2.036 122.515 120.500 -0.036 0.000 2.210 311 R HA 0.344 4.685 4.340 0.002 0.000 0.338 311 R C -0.680 175.637 176.300 0.029 0.000 1.062 311 R CA -0.175 55.774 56.100 -0.252 0.000 0.902 311 R CB 0.485 30.464 30.300 -0.535 0.000 1.050 311 R HN 0.453 nan 8.270 nan 0.000 0.461 312 E N 5.264 125.546 120.200 0.137 0.000 2.212 312 E HA 0.397 4.748 4.350 0.002 0.000 0.270 312 E C -2.366 174.309 176.600 0.125 0.000 0.956 312 E CA -2.430 54.054 56.400 0.140 0.000 0.825 312 E CB 1.486 31.253 29.700 0.113 0.000 1.167 312 E HN 0.496 nan 8.360 nan 0.000 0.400 313 P HA 0.286 nan 4.420 nan 0.000 0.272 313 P C -1.183 176.042 177.300 -0.126 0.000 1.223 313 P CA -0.255 62.686 63.100 -0.264 0.000 0.784 313 P CB 0.868 32.226 31.700 -0.569 0.000 0.923 314 A N 2.546 125.398 122.820 0.055 0.000 2.517 314 A HA 0.707 5.028 4.320 0.002 0.000 0.297 314 A C -1.443 176.291 177.584 0.251 0.000 1.050 314 A CA -0.619 51.326 52.037 -0.153 0.000 0.694 314 A CB 1.091 19.549 19.000 -0.903 0.000 1.277 314 A HN 0.436 nan 8.150 nan 0.000 0.400 315 L N 1.388 122.752 121.223 0.236 0.000 2.438 315 L HA 0.755 5.096 4.340 0.002 0.000 0.270 315 L C 0.019 177.101 176.870 0.353 0.000 0.972 315 L CA -0.714 54.338 54.840 0.354 0.000 0.831 315 L CB 2.249 44.492 42.059 0.308 0.000 1.273 315 L HN 0.897 nan 8.230 nan 0.000 0.405 316 A N 3.087 126.170 122.820 0.438 0.000 2.287 316 A HA 0.756 5.077 4.320 0.002 0.000 0.317 316 A C -1.458 176.381 177.584 0.425 0.000 1.220 316 A CA -0.279 52.010 52.037 0.419 0.000 0.835 316 A CB 0.806 20.102 19.000 0.494 0.000 1.180 316 A HN 0.527 nan 8.150 nan 0.000 0.500 317 F N 3.097 123.191 119.950 0.241 0.000 2.507 317 F HA 0.741 5.269 4.527 0.002 0.000 0.325 317 F C -1.421 174.579 175.800 0.333 0.000 1.116 317 F CA -0.595 57.548 58.000 0.240 0.000 0.930 317 F CB 1.768 40.877 39.000 0.181 0.000 1.146 317 F HN 0.620 nan 8.300 nan 0.000 0.447 318 W N 9.452 130.457 121.300 -0.491 0.000 2.300 318 W HA 0.277 4.938 4.660 0.002 0.000 0.283 318 W C -3.146 173.203 176.519 -0.284 0.000 1.064 318 W CA -2.473 54.699 57.345 -0.289 0.000 0.957 318 W CB 0.200 29.618 29.460 -0.071 0.000 0.754 318 W HN 0.315 nan 8.180 nan 0.000 0.247 319 P HA 0.274 nan 4.420 nan 0.000 0.264 319 P C 0.890 178.147 177.300 -0.071 0.000 1.183 319 P CA 2.895 65.901 63.100 -0.156 0.000 0.763 319 P CB 0.722 32.377 31.700 -0.075 0.000 0.807 320 G N 1.883 110.566 108.800 -0.196 0.000 2.184 320 G HA2 -0.301 3.660 3.960 0.002 0.000 0.264 320 G HA3 -0.301 3.660 3.960 0.002 0.000 0.264 320 G C 0.543 174.976 174.900 -0.779 0.000 0.975 320 G CA 0.775 45.645 45.100 -0.384 0.000 0.642 320 G HN 0.673 nan 8.290 nan 0.000 0.536 321 H N -1.224 117.532 119.070 -0.523 0.000 2.006 321 H HA 0.408 4.965 4.556 0.002 0.000 0.189 321 H C 0.987 176.087 175.328 -0.380 0.000 0.887 321 H CA 0.142 55.784 56.048 -0.677 0.000 0.958 321 H CB 0.456 29.242 29.762 -1.625 0.000 1.163 321 H HN 0.346 nan 8.280 nan 0.000 0.364 322 I N 2.362 122.864 120.570 -0.113 0.000 2.306 322 I HA 0.411 4.582 4.170 0.002 0.000 0.288 322 I C -0.096 175.998 176.117 -0.039 0.000 1.036 322 I CA -0.885 60.419 61.300 0.006 0.000 1.221 322 I CB 1.066 39.162 38.000 0.161 0.000 1.385 322 I HN 0.231 nan 8.210 nan 0.000 0.472 323 A N 9.681 132.474 122.820 -0.046 0.000 2.401 323 A HA 0.463 4.784 4.320 0.002 0.000 0.259 323 A C -2.106 175.467 177.584 -0.018 0.000 1.103 323 A CA -1.142 50.867 52.037 -0.045 0.000 0.789 323 A CB -0.344 18.625 19.000 -0.051 0.000 1.035 323 A HN 0.469 nan 8.150 nan 0.000 0.491 324 P HA 0.385 nan 4.420 nan 0.000 0.266 324 P C 0.340 177.635 177.300 -0.009 0.000 1.195 324 P CA 0.777 63.887 63.100 0.017 0.000 0.768 324 P CB 1.006 32.725 31.700 0.032 0.000 0.838 325 G N 0.476 109.265 108.800 -0.018 0.000 2.323 325 G HA2 0.397 4.358 3.960 0.002 0.000 0.291 325 G HA3 0.397 4.358 3.960 0.002 0.000 0.291 325 G C -2.012 172.833 174.900 -0.091 0.000 1.278 325 G CA -0.542 44.526 45.100 -0.053 0.000 0.860 325 G HN 0.405 nan 8.290 nan 0.000 0.504 326 V N 0.136 119.966 119.914 -0.141 0.000 2.577 326 V HA 0.740 4.861 4.120 0.002 0.000 0.303 326 V C -0.166 175.725 176.094 -0.338 0.000 1.042 326 V CA -0.382 61.784 62.300 -0.224 0.000 0.872 326 V CB 1.589 33.279 31.823 -0.221 0.000 0.998 326 V HN 1.042 nan 8.190 nan 0.000 0.423 327 T N 2.352 116.677 114.554 -0.382 0.000 2.807 327 T HA 0.445 4.796 4.350 0.002 0.000 0.279 327 T C 0.245 174.764 174.700 -0.301 0.000 0.993 327 T CA -0.454 61.430 62.100 -0.359 0.000 0.970 327 T CB 0.669 69.322 68.868 -0.357 0.000 0.950 327 T HN 0.744 nan 8.240 nan 0.000 0.441 328 H N 2.763 121.855 119.070 0.037 0.000 2.520 328 H HA 0.309 4.866 4.556 0.002 0.000 0.284 328 H C 0.343 175.745 175.328 0.123 0.000 1.037 328 H CA -0.104 56.003 56.048 0.098 0.000 1.168 328 H CB 0.589 30.395 29.762 0.074 0.000 1.497 328 H HN 0.635 nan 8.280 nan 0.000 0.547 329 E N 1.256 121.561 120.200 0.174 0.000 2.366 329 E HA 0.084 4.435 4.350 0.002 0.000 0.266 329 E C -0.273 176.477 176.600 0.250 0.000 1.051 329 E CA -0.748 55.755 56.400 0.171 0.000 0.884 329 E CB 1.530 31.294 29.700 0.107 0.000 1.006 329 E HN -0.027 nan 8.360 nan 0.000 0.417 330 L N 2.219 123.565 121.223 0.204 0.000 2.462 330 L HA 0.149 4.490 4.340 0.002 0.000 0.272 330 L C 0.075 177.070 176.870 0.207 0.000 1.166 330 L CA 0.823 55.794 54.840 0.218 0.000 0.880 330 L CB 0.132 42.261 42.059 0.115 0.000 1.142 330 L HN 0.568 nan 8.230 nan 0.000 0.473 331 A N 2.772 125.718 122.820 0.211 0.000 2.549 331 A HA 0.839 5.160 4.320 0.002 0.000 0.297 331 A C -0.728 176.622 177.584 -0.390 0.000 1.061 331 A CA -0.453 51.597 52.037 0.022 0.000 0.690 331 A CB 2.018 21.152 19.000 0.222 0.000 1.287 331 A HN 0.525 nan 8.150 nan 0.000 0.402 332 S N -0.608 114.788 115.700 -0.507 0.000 2.627 332 S HA 0.567 5.038 4.470 0.002 0.000 0.283 332 S C 1.151 175.440 174.600 -0.519 0.000 1.127 332 S CA 0.339 58.194 58.200 -0.576 0.000 0.863 332 S CB 1.504 64.610 63.200 -0.156 0.000 1.121 332 S HN 1.803 nan 8.310 nan 0.000 0.479 333 S N 2.001 117.561 115.700 -0.233 0.000 2.474 333 S HA 0.022 4.493 4.470 0.002 0.000 0.235 333 S C 1.607 176.199 174.600 -0.013 0.000 0.997 333 S CA 0.647 58.889 58.200 0.070 0.000 0.949 333 S CB -0.681 62.640 63.200 0.202 0.000 0.766 333 S HN 0.646 nan 8.310 nan 0.000 0.517 334 L N 1.142 122.335 121.223 -0.050 0.000 2.376 334 L HA 0.031 4.372 4.340 0.002 0.000 0.219 334 L C 1.580 178.410 176.870 -0.066 0.000 1.133 334 L CA 0.784 55.586 54.840 -0.065 0.000 0.816 334 L CB -0.349 41.670 42.059 -0.066 0.000 0.933 334 L HN 0.251 nan 8.230 nan 0.000 0.449 335 D N -0.376 120.004 120.400 -0.033 0.000 2.327 335 D HA -0.011 4.630 4.640 0.002 0.000 0.205 335 D C 2.358 178.669 176.300 0.018 0.000 0.989 335 D CA 0.445 54.455 54.000 0.015 0.000 0.873 335 D CB 0.283 41.133 40.800 0.083 0.000 0.955 335 D HN 0.269 nan 8.370 nan 0.000 0.515 336 L N 0.742 121.973 121.223 0.013 0.000 2.013 336 L HA -0.180 4.161 4.340 0.002 0.000 0.212 336 L C 2.561 179.391 176.870 -0.067 0.000 1.073 336 L CA 0.962 55.802 54.840 -0.001 0.000 0.753 336 L CB -0.473 41.582 42.059 -0.006 0.000 0.890 336 L HN 0.089 nan 8.230 nan 0.000 0.432 337 L N 0.307 121.467 121.223 -0.105 0.000 1.971 337 L HA -0.186 4.155 4.340 0.002 0.000 0.215 337 L C -0.300 176.495 176.870 -0.126 0.000 1.072 337 L CA 2.030 56.781 54.840 -0.149 0.000 0.758 337 L CB -1.171 40.797 42.059 -0.151 0.000 0.889 337 L HN 0.134 nan 8.230 nan 0.000 0.433 338 P HA -0.103 nan 4.420 nan 0.000 0.217 338 P C 1.460 178.743 177.300 -0.028 0.000 1.150 338 P CA 1.633 64.698 63.100 -0.059 0.000 0.832 338 P CB -0.032 31.642 31.700 -0.042 0.000 0.787 339 T N -0.198 114.354 114.554 -0.004 0.000 2.701 339 T HA -0.084 4.267 4.350 0.002 0.000 0.263 339 T C 1.733 176.425 174.700 -0.013 0.000 1.040 339 T CA 1.123 63.242 62.100 0.031 0.000 1.147 339 T CB -0.965 67.949 68.868 0.076 0.000 0.865 339 T HN 0.059 nan 8.240 nan 0.000 0.426 340 L N 0.790 121.967 121.223 -0.078 0.000 2.131 340 L HA -0.041 4.300 4.340 0.002 0.000 0.210 340 L C 3.042 179.797 176.870 -0.191 0.000 1.092 340 L CA 1.049 55.792 54.840 -0.161 0.000 0.759 340 L CB -0.715 41.185 42.059 -0.265 0.000 0.903 340 L HN 0.252 nan 8.230 nan 0.000 0.435 341 A N 0.150 122.868 122.820 -0.170 0.000 1.930 341 A HA -0.095 4.226 4.320 0.002 0.000 0.217 341 A C 2.511 180.045 177.584 -0.084 0.000 1.175 341 A CA 1.577 53.520 52.037 -0.157 0.000 0.627 341 A CB -0.503 18.416 19.000 -0.136 0.000 0.815 341 A HN 0.386 nan 8.150 nan 0.000 0.443 342 A N -0.500 122.295 122.820 -0.042 0.000 1.968 342 A HA 0.131 4.452 4.320 0.002 0.000 0.217 342 A C 2.036 179.635 177.584 0.026 0.000 1.169 342 A CA 1.168 53.207 52.037 0.003 0.000 0.638 342 A CB -0.429 18.589 19.000 0.030 0.000 0.812 342 A HN 0.454 nan 8.150 nan 0.000 0.446 343 L N -1.366 119.867 121.223 0.017 0.000 2.240 343 L HA 0.009 4.350 4.340 0.002 0.000 0.211 343 L C 2.529 179.422 176.870 0.039 0.000 1.106 343 L CA 0.841 55.715 54.840 0.056 0.000 0.793 343 L CB -0.167 41.910 42.059 0.030 0.000 0.927 343 L HN 0.390 nan 8.230 nan 0.000 0.446 344 A N -0.766 122.045 122.820 -0.014 0.000 2.348 344 A HA 0.396 4.717 4.320 0.002 0.000 0.224 344 A C 1.762 179.372 177.584 0.044 0.000 1.227 344 A CA 0.572 52.628 52.037 0.032 0.000 0.885 344 A CB -0.090 18.851 19.000 -0.099 0.000 0.933 344 A HN 0.430 nan 8.150 nan 0.000 0.506 345 G N -1.227 107.583 108.800 0.018 0.000 2.189 345 G HA2 -0.014 3.947 3.960 0.002 0.000 0.267 345 G HA3 -0.014 3.947 3.960 0.002 0.000 0.267 345 G C 0.516 175.415 174.900 -0.001 0.000 0.975 345 G CA 0.461 45.572 45.100 0.019 0.000 0.644 345 G HN 1.657 nan 8.290 nan 0.000 0.537 346 A N 0.729 123.529 122.820 -0.033 0.000 2.454 346 A HA 0.648 4.970 4.320 0.002 0.000 0.260 346 A C -1.415 176.135 177.584 -0.058 0.000 1.106 346 A CA -0.765 51.239 52.037 -0.055 0.000 0.780 346 A CB 0.330 19.259 19.000 -0.119 0.000 1.044 346 A HN 0.197 nan 8.150 nan 0.000 0.498 347 P HA 0.211 nan 4.420 nan 0.000 0.268 347 P C -0.451 176.815 177.300 -0.056 0.000 1.205 347 P CA -0.026 63.050 63.100 -0.039 0.000 0.771 347 P CB 0.450 32.134 31.700 -0.028 0.000 0.858 348 L N 4.989 126.181 121.223 -0.053 0.000 2.439 348 L HA 0.269 4.610 4.340 0.002 0.000 0.269 348 L C -1.251 175.583 176.870 -0.059 0.000 1.179 348 L CA -1.658 53.143 54.840 -0.064 0.000 0.828 348 L CB -0.233 41.791 42.059 -0.058 0.000 1.106 348 L HN 0.346 nan 8.230 nan 0.000 0.467 349 P HA -0.005 nan 4.420 nan 0.000 0.272 349 P C 0.043 177.313 177.300 -0.051 0.000 1.240 349 P CA -0.410 62.655 63.100 -0.058 0.000 0.791 349 P CB 0.644 32.304 31.700 -0.067 0.000 0.978 350 N N 0.058 118.733 118.700 -0.042 0.000 2.166 350 N HA -0.067 4.674 4.740 0.002 0.000 0.186 350 N C 0.530 176.015 175.510 -0.043 0.000 1.019 350 N CA 0.662 53.690 53.050 -0.037 0.000 0.856 350 N CB -0.106 38.364 38.487 -0.029 0.000 0.993 350 N HN 0.327 nan 8.380 nan 0.000 0.426 351 V N 1.085 120.970 119.914 -0.048 0.000 2.999 351 V HA 0.102 4.223 4.120 0.002 0.000 0.307 351 V C 0.684 176.738 176.094 -0.067 0.000 1.084 351 V CA -0.340 61.927 62.300 -0.054 0.000 1.155 351 V CB 0.212 32.001 31.823 -0.057 0.000 0.975 351 V HN 0.318 nan 8.190 nan 0.000 0.490 352 T N 4.048 118.560 114.554 -0.070 0.000 2.751 352 T HA 0.415 4.766 4.350 0.002 0.000 0.290 352 T C -0.201 174.433 174.700 -0.109 0.000 0.919 352 T CA -0.709 61.340 62.100 -0.085 0.000 1.136 352 T CB -0.071 68.749 68.868 -0.079 0.000 0.875 352 T HN 0.549 nan 8.240 nan 0.000 0.532 353 L N 3.364 124.509 121.223 -0.129 0.000 2.375 353 L HA 0.378 4.719 4.340 0.002 0.000 0.271 353 L C 0.940 177.684 176.870 -0.211 0.000 1.107 353 L CA -0.158 54.587 54.840 -0.158 0.000 0.806 353 L CB 0.693 42.656 42.059 -0.160 0.000 1.146 353 L HN 0.738 nan 8.230 nan 0.000 0.447 354 D N 1.419 121.693 120.400 -0.210 0.000 2.427 354 D HA 0.211 4.853 4.640 0.002 0.000 0.224 354 D C 0.794 176.898 176.300 -0.326 0.000 1.157 354 D CA 0.191 54.047 54.000 -0.240 0.000 0.828 354 D CB 1.335 42.042 40.800 -0.154 0.000 0.974 354 D HN 0.723 nan 8.370 nan 0.000 0.498 355 G N -0.219 108.345 108.800 -0.393 0.000 3.013 355 G HA2 0.628 4.589 3.960 0.002 0.000 0.278 355 G HA3 0.628 4.589 3.960 0.002 0.000 0.278 355 G C -1.035 173.475 174.900 -0.650 0.000 1.353 355 G CA -0.483 44.381 45.100 -0.393 0.000 1.043 355 G HN -0.041 nan 8.290 nan 0.000 0.523 356 F N -1.581 118.366 119.950 -0.006 0.000 2.650 356 F HA 0.406 4.934 4.527 0.002 0.000 0.320 356 F C -0.703 175.108 175.800 0.018 0.000 1.091 356 F CA -0.854 57.151 58.000 0.009 0.000 0.962 356 F CB 2.247 41.260 39.000 0.022 0.000 1.363 356 F HN 0.334 nan 8.300 nan 0.000 0.482 357 D N 1.265 121.815 120.400 0.249 0.000 2.380 357 D HA 0.278 4.919 4.640 0.002 0.000 0.230 357 D C 0.130 176.527 176.300 0.162 0.000 1.154 357 D CA 0.028 54.120 54.000 0.153 0.000 0.859 357 D CB 0.746 41.613 40.800 0.112 0.000 1.045 357 D HN 0.302 nan 8.370 nan 0.000 0.495 358 L N 2.995 124.319 121.223 0.170 0.000 2.612 358 L HA 0.033 4.374 4.340 0.002 0.000 0.230 358 L C 2.266 179.246 176.870 0.184 0.000 1.140 358 L CA 0.391 55.345 54.840 0.191 0.000 0.896 358 L CB -0.853 41.358 42.059 0.252 0.000 1.065 358 L HN 0.460 nan 8.230 nan 0.000 0.447 359 S N -0.365 115.428 115.700 0.155 0.000 2.370 359 S HA -0.107 4.364 4.470 0.002 0.000 0.226 359 S C -0.362 174.318 174.600 0.133 0.000 1.033 359 S CA 0.934 59.228 58.200 0.157 0.000 1.011 359 S CB -1.592 61.691 63.200 0.138 0.000 0.852 359 S HN 0.262 nan 8.310 nan 0.000 0.457 360 P HA -0.037 nan 4.420 nan 0.000 0.215 360 P C 1.781 179.125 177.300 0.072 0.000 1.153 360 P CA 0.666 63.810 63.100 0.074 0.000 0.853 360 P CB -0.137 31.598 31.700 0.059 0.000 0.788 361 L N -1.117 120.162 121.223 0.093 0.000 2.056 361 L HA -0.125 4.216 4.340 0.002 0.000 0.207 361 L C 2.133 179.055 176.870 0.087 0.000 1.078 361 L CA 1.785 56.675 54.840 0.083 0.000 0.749 361 L CB -1.299 40.832 42.059 0.121 0.000 0.901 361 L HN -0.124 nan 8.230 nan 0.000 0.433 362 L N -1.134 120.180 121.223 0.151 0.000 2.005 362 L HA -0.214 4.127 4.340 0.002 0.000 0.207 362 L C 2.458 179.400 176.870 0.120 0.000 1.072 362 L CA 1.396 56.343 54.840 0.180 0.000 0.744 362 L CB -0.610 41.615 42.059 0.277 0.000 0.895 362 L HN 0.278 nan 8.230 nan 0.000 0.433 363 L N -0.367 120.917 121.223 0.102 0.000 2.376 363 L HA 0.005 4.346 4.340 0.002 0.000 0.219 363 L C 1.468 178.339 176.870 0.002 0.000 1.133 363 L CA 0.728 55.589 54.840 0.035 0.000 0.816 363 L CB -0.750 41.331 42.059 0.036 0.000 0.933 363 L HN 0.574 nan 8.230 nan 0.000 0.449 364 G N 0.143 108.952 108.800 0.016 0.000 2.137 364 G HA2 -0.298 3.663 3.960 0.002 0.000 0.237 364 G HA3 -0.298 3.663 3.960 0.002 0.000 0.237 364 G C 0.781 175.679 174.900 -0.003 0.000 1.002 364 G CA 0.586 45.685 45.100 -0.002 0.000 0.702 364 G HN 0.395 nan 8.290 nan 0.000 0.515 365 T N -2.927 111.632 114.554 0.008 0.000 3.065 365 T HA 0.568 4.919 4.350 0.002 0.000 0.252 365 T C 1.314 176.021 174.700 0.011 0.000 1.099 365 T CA 1.143 63.247 62.100 0.006 0.000 1.063 365 T CB 1.126 70.000 68.868 0.011 0.000 0.948 365 T HN 1.792 nan 8.240 nan 0.000 0.506 366 G N 0.046 108.856 108.800 0.017 0.000 2.570 366 G HA2 0.536 4.497 3.960 0.002 0.000 0.310 366 G HA3 0.536 4.497 3.960 0.002 0.000 0.310 366 G C -1.855 173.056 174.900 0.019 0.000 1.266 366 G CA -1.048 44.062 45.100 0.016 0.000 0.825 366 G HN 0.212 nan 8.290 nan 0.000 0.483 367 K N -0.156 120.253 120.400 0.015 0.000 2.211 367 K HA 0.640 4.961 4.320 0.002 0.000 0.237 367 K C -0.192 176.418 176.600 0.016 0.000 1.002 367 K CA -0.511 55.785 56.287 0.015 0.000 0.885 367 K CB 1.857 34.361 32.500 0.007 0.000 1.136 367 K HN 0.396 nan 8.250 nan 0.000 0.448 368 S N 1.935 117.648 115.700 0.022 0.000 2.531 368 S HA 0.125 4.596 4.470 0.002 0.000 0.279 368 S C -1.411 173.141 174.600 -0.080 0.000 1.305 368 S CA -1.370 56.839 58.200 0.015 0.000 1.058 368 S CB 0.413 63.652 63.200 0.066 0.000 0.899 368 S HN 0.398 nan 8.310 nan 0.000 0.493 369 P HA 0.007 nan 4.420 nan 0.000 0.241 369 P C 0.062 176.896 177.300 -0.776 0.000 1.191 369 P CA 0.151 63.023 63.100 -0.380 0.000 0.771 369 P CB 0.034 31.539 31.700 -0.326 0.000 0.929 370 R N 1.947 122.114 120.500 -0.555 0.000 2.248 370 R HA 0.098 4.439 4.340 0.002 0.000 0.328 370 R C 1.422 177.597 176.300 -0.208 0.000 1.067 370 R CA 0.023 55.853 56.100 -0.450 0.000 0.924 370 R CB 0.237 30.499 30.300 -0.062 0.000 1.013 370 R HN 0.098 nan 8.270 nan 0.000 0.454 371 Q N 1.384 121.075 119.800 -0.182 0.000 2.280 371 Q HA 0.290 4.631 4.340 0.002 0.000 0.244 371 Q C -0.517 175.438 176.000 -0.074 0.000 0.847 371 Q CA -0.344 55.404 55.803 -0.090 0.000 0.945 371 Q CB 0.969 29.661 28.738 -0.077 0.000 1.115 371 Q HN 0.391 nan 8.270 nan 0.000 0.513 372 S N 0.372 116.025 115.700 -0.078 0.000 2.569 372 S HA 0.708 5.179 4.470 0.002 0.000 0.280 372 S C -1.194 173.215 174.600 -0.317 0.000 1.111 372 S CA -0.718 57.353 58.200 -0.216 0.000 0.887 372 S CB 1.825 64.902 63.200 -0.205 0.000 1.095 372 S HN 0.253 nan 8.310 nan 0.000 0.476 373 L N 1.949 122.782 121.223 -0.649 0.000 2.431 373 L HA 0.650 4.991 4.340 0.002 0.000 0.266 373 L C -1.722 174.415 176.870 -1.222 0.000 0.978 373 L CA -0.479 53.901 54.840 -0.767 0.000 0.822 373 L CB 1.518 43.097 42.059 -0.800 0.000 1.310 373 L HN 0.577 nan 8.230 nan 0.000 0.409 374 F N 2.098 121.623 119.950 -0.709 0.000 2.507 374 F HA 0.605 5.133 4.527 0.001 0.000 0.325 374 F C -0.561 174.815 175.800 -0.706 0.000 1.116 374 F CA -0.511 57.136 58.000 -0.588 0.000 0.930 374 F CB 1.506 40.343 39.000 -0.272 0.000 1.146 374 F HN 0.061 nan 8.300 nan 0.000 0.447 375 F N 2.352 122.330 119.950 0.047 0.000 2.482 375 F HA 0.548 5.076 4.527 0.002 0.000 0.331 375 F C -0.741 175.044 175.800 -0.025 0.000 1.115 375 F CA -1.373 56.656 58.000 0.049 0.000 0.955 375 F CB 1.105 40.121 39.000 0.027 0.000 1.136 375 F HN 0.313 nan 8.300 nan 0.000 0.452 376 Y N 3.050 123.454 120.300 0.175 0.000 2.487 376 Y HA 0.518 5.069 4.550 0.002 0.000 0.337 376 Y C -2.050 173.772 175.900 -0.130 0.000 1.076 376 Y CA -2.082 56.014 58.100 -0.007 0.000 1.115 376 Y CB 1.634 40.037 38.460 -0.095 0.000 1.235 376 Y HN 0.351 nan 8.280 nan 0.000 0.468 377 P HA 0.131 nan 4.420 nan 0.000 0.277 377 P C -0.071 177.146 177.300 -0.139 0.000 1.271 377 P CA -0.210 62.666 63.100 -0.373 0.000 0.795 377 P CB 1.278 32.318 31.700 -1.100 0.000 1.101 378 S N -1.201 114.484 115.700 -0.024 0.000 2.399 378 S HA -0.099 4.373 4.470 0.002 0.000 0.231 378 S C 0.206 174.705 174.600 -0.167 0.000 1.022 378 S CA 1.491 59.684 58.200 -0.012 0.000 0.983 378 S CB -0.691 62.623 63.200 0.190 0.000 0.803 378 S HN 0.475 nan 8.310 nan 0.000 0.480 379 Y N 1.737 122.000 120.300 -0.062 0.000 2.749 379 Y HA 0.410 4.961 4.550 0.003 0.000 0.343 379 Y C -2.431 173.425 175.900 -0.073 0.000 1.015 379 Y CA -2.964 55.126 58.100 -0.018 0.000 1.270 379 Y CB 0.777 39.251 38.460 0.023 0.000 1.097 379 Y HN 0.094 nan 8.280 nan 0.000 0.571 380 P HA 0.338 nan 4.420 nan 0.000 0.280 380 P C -0.998 176.391 177.300 0.149 0.000 1.272 380 P CA -0.283 62.835 63.100 0.029 0.000 0.819 380 P CB 2.136 33.805 31.700 -0.052 0.000 1.122 381 D N -1.534 118.966 120.400 0.166 0.000 2.654 381 D HA 0.088 4.729 4.640 0.002 0.000 0.231 381 D C -0.022 176.004 176.300 -0.457 0.000 1.239 381 D CA -0.515 53.445 54.000 -0.066 0.000 0.790 381 D CB 1.234 42.014 40.800 -0.032 0.000 1.480 381 D HN 0.278 nan 8.370 nan 0.000 0.442 382 E N -0.029 119.741 120.200 -0.716 0.000 2.418 382 E HA -0.020 4.331 4.350 0.002 0.000 0.197 382 E C 1.669 178.066 176.600 -0.338 0.000 1.026 382 E CA 0.472 56.416 56.400 -0.760 0.000 0.862 382 E CB 0.405 29.725 29.700 -0.633 0.000 0.799 382 E HN 0.284 nan 8.360 nan 0.000 0.518 383 V N 0.769 120.557 119.914 -0.210 0.000 2.379 383 V HA -0.158 3.963 4.120 0.002 0.000 0.243 383 V C 2.106 178.162 176.094 -0.063 0.000 1.035 383 V CA 1.483 63.719 62.300 -0.108 0.000 1.035 383 V CB -0.261 31.521 31.823 -0.068 0.000 0.673 383 V HN 0.148 nan 8.190 nan 0.000 0.457 384 R N -0.134 120.312 120.500 -0.090 0.000 2.100 384 R HA 0.296 4.637 4.340 0.002 0.000 0.220 384 R C 1.526 177.852 176.300 0.044 0.000 1.091 384 R CA 0.736 56.769 56.100 -0.112 0.000 0.986 384 R CB -0.318 29.673 30.300 -0.514 0.000 0.888 384 R HN 0.574 nan 8.270 nan 0.000 0.444 385 G N 0.964 109.792 108.800 0.046 0.000 2.547 385 G HA2 -0.337 3.624 3.960 0.002 0.000 0.271 385 G HA3 -0.337 3.624 3.960 0.002 0.000 0.271 385 G C 0.052 175.057 174.900 0.176 0.000 1.209 385 G CA -0.046 45.144 45.100 0.151 0.000 0.959 385 G HN 0.340 nan 8.290 nan 0.000 0.563 386 V N -1.603 118.263 119.914 -0.080 0.000 2.673 386 V HA 0.483 4.604 4.120 0.002 0.000 0.303 386 V C 1.400 177.671 176.094 0.295 0.000 1.046 386 V CA 0.732 62.865 62.300 -0.278 0.000 1.126 386 V CB 0.694 32.352 31.823 -0.275 0.000 0.934 386 V HN 0.742 nan 8.190 nan 0.000 0.487 387 F N 2.757 122.746 119.950 0.065 0.000 2.262 387 F HA 0.577 5.105 4.527 0.002 0.000 0.292 387 F C 1.349 177.359 175.800 0.351 0.000 1.081 387 F CA 0.520 58.704 58.000 0.306 0.000 1.355 387 F CB -0.123 39.014 39.000 0.229 0.000 1.069 387 F HN 0.861 nan 8.300 nan 0.000 0.506 388 A N -0.417 122.663 122.820 0.433 0.000 2.515 388 A HA 0.718 5.039 4.320 0.002 0.000 0.298 388 A C -1.572 176.188 177.584 0.292 0.000 1.059 388 A CA -0.501 51.704 52.037 0.280 0.000 0.698 388 A CB 1.538 20.530 19.000 -0.013 0.000 1.289 388 A HN -0.160 nan 8.150 nan 0.000 0.404 389 V N 1.473 121.497 119.914 0.183 0.000 2.709 389 V HA 0.669 4.790 4.120 0.002 0.000 0.308 389 V C -0.110 175.931 176.094 -0.088 0.000 1.062 389 V CA -0.661 61.600 62.300 -0.066 0.000 0.901 389 V CB 1.906 33.728 31.823 -0.002 0.000 1.003 389 V HN 0.996 nan 8.190 nan 0.000 0.425 390 R N 1.951 122.302 120.500 -0.248 0.000 2.599 390 R HA 0.788 5.129 4.340 0.002 0.000 0.295 390 R C -1.314 174.869 176.300 -0.195 0.000 0.963 390 R CA -0.237 55.784 56.100 -0.132 0.000 0.883 390 R CB 2.020 32.266 30.300 -0.090 0.000 1.171 390 R HN 0.786 nan 8.270 nan 0.000 0.450 391 T N 2.884 117.402 114.554 -0.059 0.000 3.050 391 T HA 0.462 4.813 4.350 0.002 0.000 0.310 391 T C 0.096 174.826 174.700 0.050 0.000 0.978 391 T CA 0.103 62.182 62.100 -0.034 0.000 1.013 391 T CB 1.458 70.317 68.868 -0.014 0.000 1.000 391 T HN 0.979 nan 8.240 nan 0.000 0.447 392 G N 4.083 112.898 108.800 0.025 0.000 2.543 392 G HA2 -0.314 3.647 3.960 0.002 0.000 0.286 392 G HA3 -0.314 3.647 3.960 0.002 0.000 0.286 392 G C 0.715 175.628 174.900 0.021 0.000 1.153 392 G CA 0.612 45.738 45.100 0.044 0.000 0.968 392 G HN 0.899 nan 8.290 nan 0.000 0.544 393 K N -0.156 120.221 120.400 -0.038 0.000 2.358 393 K HA 0.401 4.722 4.320 0.002 0.000 0.197 393 K C -0.032 176.415 176.600 -0.254 0.000 1.025 393 K CA -0.060 56.130 56.287 -0.161 0.000 1.104 393 K CB 0.406 32.745 32.500 -0.268 0.000 0.855 393 K HN 0.434 nan 8.250 nan 0.000 0.531 394 Y N 2.321 122.640 120.300 0.032 0.000 2.320 394 Y HA 0.316 4.867 4.550 0.001 0.000 0.334 394 Y C -0.239 175.677 175.900 0.026 0.000 1.055 394 Y CA -0.740 57.380 58.100 0.033 0.000 1.143 394 Y CB 1.613 40.078 38.460 0.007 0.000 1.193 394 Y HN -0.109 nan 8.280 nan 0.000 0.477 395 K N 2.511 123.038 120.400 0.212 0.000 2.463 395 K HA 0.819 5.140 4.320 0.002 0.000 0.255 395 K C -1.409 175.260 176.600 0.114 0.000 0.942 395 K CA -0.617 55.750 56.287 0.134 0.000 0.814 395 K CB 0.998 33.580 32.500 0.136 0.000 1.122 395 K HN 0.776 nan 8.250 nan 0.000 0.425 396 A N 3.924 126.723 122.820 -0.034 0.000 2.312 396 A HA 0.414 4.735 4.320 0.002 0.000 0.326 396 A C -1.042 176.361 177.584 -0.302 0.000 1.172 396 A CA -0.584 51.320 52.037 -0.222 0.000 0.821 396 A CB 0.519 19.244 19.000 -0.459 0.000 1.166 396 A HN 0.829 nan 8.150 nan 0.000 0.493 397 H N 3.092 121.984 119.070 -0.297 0.000 2.725 397 H HA 0.253 4.811 4.556 0.002 0.000 0.283 397 H C -0.429 174.756 175.328 -0.238 0.000 1.110 397 H CA -0.043 55.923 56.048 -0.137 0.000 1.289 397 H CB 0.721 30.465 29.762 -0.031 0.000 1.400 397 H HN 0.738 nan 8.280 nan 0.000 0.493 398 F N 1.355 121.329 119.950 0.040 0.000 2.456 398 F HA 0.056 4.584 4.527 0.002 0.000 0.298 398 F C 0.228 175.676 175.800 -0.586 0.000 1.104 398 F CA 0.687 58.563 58.000 -0.206 0.000 1.435 398 F CB 0.264 39.160 39.000 -0.173 0.000 1.078 398 F HN 0.258 nan 8.300 nan 0.000 0.546 399 F N -0.980 118.938 119.950 -0.053 0.000 2.596 399 F HA 0.415 4.942 4.527 0.001 0.000 0.311 399 F C -0.037 175.601 175.800 -0.269 0.000 1.116 399 F CA -1.436 56.288 58.000 -0.459 0.000 0.957 399 F CB 1.542 39.682 39.000 -1.433 0.000 1.250 399 F HN -0.370 nan 8.300 nan 0.000 0.444 400 T N -0.035 114.581 114.554 0.104 0.000 2.908 400 T HA 0.789 5.140 4.350 0.002 0.000 0.290 400 T C -1.103 173.716 174.700 0.199 0.000 1.034 400 T CA -0.759 61.447 62.100 0.177 0.000 1.010 400 T CB 2.511 71.549 68.868 0.284 0.000 1.068 400 T HN 0.733 nan 8.240 nan 0.000 0.481 401 Q N 0.206 120.142 119.800 0.227 0.000 2.438 401 Q HA 0.535 4.876 4.340 0.002 0.000 0.272 401 Q C -0.652 175.509 176.000 0.267 0.000 0.994 401 Q CA -0.824 55.136 55.803 0.261 0.000 0.887 401 Q CB 1.731 30.682 28.738 0.355 0.000 1.432 401 Q HN 1.106 nan 8.270 nan 0.000 0.392 402 G N 0.629 109.568 108.800 0.231 0.000 2.537 402 G HA2 0.622 4.583 3.960 0.002 0.000 0.297 402 G HA3 0.622 4.583 3.960 0.002 0.000 0.297 402 G C -0.990 174.029 174.900 0.199 0.000 1.310 402 G CA -0.138 45.097 45.100 0.225 0.000 1.027 402 G HN 0.412 nan 8.290 nan 0.000 0.505 403 S N -2.452 113.360 115.700 0.186 0.000 2.537 403 S HA 0.516 4.987 4.470 0.002 0.000 0.270 403 S C 0.944 175.610 174.600 0.109 0.000 1.142 403 S CA 0.411 58.713 58.200 0.170 0.000 0.870 403 S CB 1.410 64.756 63.200 0.244 0.000 1.112 403 S HN 1.321 nan 8.310 nan 0.000 0.466 404 A N 2.764 125.589 122.820 0.007 0.000 1.972 404 A HA -0.067 4.254 4.320 0.002 0.000 0.219 404 A C 1.621 179.140 177.584 -0.109 0.000 1.169 404 A CA 1.485 53.465 52.037 -0.095 0.000 0.635 404 A CB -0.968 17.912 19.000 -0.199 0.000 0.810 404 A HN 0.933 nan 8.150 nan 0.000 0.446 405 H N -0.391 118.709 119.070 0.050 0.000 2.457 405 H HA 0.025 4.582 4.556 0.002 0.000 0.294 405 H C 1.113 176.460 175.328 0.031 0.000 1.064 405 H CA 1.408 57.474 56.048 0.031 0.000 1.330 405 H CB 0.017 29.805 29.762 0.044 0.000 1.395 405 H HN 0.426 nan 8.280 nan 0.000 0.541 406 S N 0.775 116.577 115.700 0.170 0.000 2.583 406 S HA 0.050 4.521 4.470 0.002 0.000 0.239 406 S C 0.409 175.093 174.600 0.139 0.000 0.966 406 S CA -0.322 57.958 58.200 0.134 0.000 0.973 406 S CB 0.410 63.698 63.200 0.148 0.000 0.794 406 S HN 0.275 nan 8.310 nan 0.000 0.463 407 D N 1.848 122.299 120.400 0.085 0.000 2.414 407 D HA 0.120 4.761 4.640 0.002 0.000 0.259 407 D C 1.179 177.471 176.300 -0.013 0.000 1.269 407 D CA 1.282 55.299 54.000 0.029 0.000 1.028 407 D CB 0.644 41.398 40.800 -0.078 0.000 1.093 407 D HN 0.347 nan 8.370 nan 0.000 0.545 408 T N -3.565 110.896 114.554 -0.154 0.000 6.387 408 T HA -0.222 4.129 4.350 0.002 0.000 0.290 408 T C 0.360 175.071 174.700 0.019 0.000 1.901 408 T CA 1.783 63.824 62.100 -0.098 0.000 3.035 408 T CB -2.273 66.555 68.868 -0.066 0.000 1.917 408 T HN 0.427 nan 8.240 nan 0.000 1.121 409 T N -0.829 113.824 114.554 0.165 0.000 2.881 409 T HA 0.759 5.110 4.350 0.002 0.000 0.278 409 T C 1.634 176.468 174.700 0.222 0.000 0.982 409 T CA 0.213 62.404 62.100 0.152 0.000 0.989 409 T CB 1.173 70.095 68.868 0.089 0.000 1.058 409 T HN 0.800 nan 8.240 nan 0.000 0.529 410 A N 1.541 124.402 122.820 0.069 0.000 2.014 410 A HA 0.124 4.445 4.320 0.002 0.000 0.218 410 A C 1.073 178.632 177.584 -0.041 0.000 1.163 410 A CA 0.598 52.655 52.037 0.033 0.000 0.652 410 A CB -0.318 18.678 19.000 -0.007 0.000 0.808 410 A HN 0.798 nan 8.150 nan 0.000 0.449 411 D N 0.082 120.406 120.400 -0.127 0.000 2.325 411 D HA 0.169 4.810 4.640 0.002 0.000 0.251 411 D C -1.511 174.476 176.300 -0.521 0.000 1.196 411 D CA -1.940 51.908 54.000 -0.253 0.000 0.866 411 D CB 1.358 42.002 40.800 -0.260 0.000 1.101 411 D HN 0.117 nan 8.370 nan 0.000 0.476 412 P HA -0.107 nan 4.420 nan 0.000 0.223 412 P C 0.979 178.022 177.300 -0.429 0.000 1.151 412 P CA 0.548 63.292 63.100 -0.594 0.000 0.787 412 P CB 0.282 31.861 31.700 -0.202 0.000 0.788 413 A N -0.195 122.446 122.820 -0.297 0.000 2.019 413 A HA -0.143 4.178 4.320 0.002 0.000 0.219 413 A C 2.353 179.897 177.584 -0.066 0.000 1.164 413 A CA 1.564 53.514 52.037 -0.145 0.000 0.644 413 A CB -1.634 17.247 19.000 -0.199 0.000 0.805 413 A HN 0.292 nan 8.150 nan 0.000 0.449 414 c N -1.039 117.449 118.600 -0.186 0.000 2.485 414 c HA 0.126 4.697 4.570 0.002 0.000 0.277 414 c C 1.246 175.412 174.090 0.127 0.000 1.376 414 c CA -0.695 55.630 56.329 -0.007 0.000 1.759 414 c CB -1.665 40.818 42.510 -0.046 0.000 1.970 414 c HN 0.613 nan 8.230 nan 0.000 0.509 415 H N 0.172 119.263 119.070 0.034 0.000 2.836 415 H HA 0.224 4.780 4.556 0.001 0.000 0.368 415 H C 1.393 176.749 175.328 0.047 0.000 1.164 415 H CA 0.031 56.096 56.048 0.029 0.000 1.425 415 H CB 0.649 30.417 29.762 0.011 0.000 1.414 415 H HN 0.288 nan 8.280 nan 0.000 0.614 416 A N 1.982 124.900 122.820 0.163 0.000 2.067 416 A HA -0.155 4.166 4.320 0.002 0.000 0.219 416 A C 2.280 179.917 177.584 0.088 0.000 1.158 416 A CA 1.396 53.490 52.037 0.094 0.000 0.661 416 A CB -0.506 18.513 19.000 0.033 0.000 0.801 416 A HN 0.666 nan 8.150 nan 0.000 0.452 417 S N 0.558 116.323 115.700 0.109 0.000 2.383 417 S HA -0.071 4.400 4.470 0.002 0.000 0.229 417 S C 1.126 175.777 174.600 0.084 0.000 1.030 417 S CA 0.852 59.104 58.200 0.087 0.000 1.002 417 S CB -0.278 62.986 63.200 0.105 0.000 0.829 417 S HN 0.517 nan 8.310 nan 0.000 0.467 418 S N 2.891 118.652 115.700 0.102 0.000 2.457 418 S HA 0.227 4.698 4.470 0.002 0.000 0.294 418 S C 0.404 175.065 174.600 0.102 0.000 1.201 418 S CA -0.458 57.799 58.200 0.095 0.000 1.112 418 S CB 0.249 63.511 63.200 0.103 0.000 1.018 418 S HN 0.392 nan 8.310 nan 0.000 0.511 419 S N 3.115 118.865 115.700 0.082 0.000 2.645 419 S HA 0.316 4.787 4.470 0.002 0.000 0.266 419 S C 0.290 174.947 174.600 0.096 0.000 1.258 419 S CA -0.924 57.323 58.200 0.078 0.000 0.990 419 S CB 0.415 63.647 63.200 0.053 0.000 0.967 419 S HN 0.699 nan 8.310 nan 0.000 0.556 420 L N 2.870 124.154 121.223 0.102 0.000 2.530 420 L HA 0.183 4.524 4.340 0.002 0.000 0.273 420 L C 0.122 177.034 176.870 0.071 0.000 1.141 420 L CA 0.056 54.969 54.840 0.122 0.000 0.905 420 L CB -0.312 41.833 42.059 0.144 0.000 1.202 420 L HN 0.862 nan 8.230 nan 0.000 0.473 421 T N 2.539 117.106 114.554 0.023 0.000 2.807 421 T HA 0.759 5.110 4.350 0.002 0.000 0.279 421 T C 0.007 174.497 174.700 -0.350 0.000 0.993 421 T CA -0.586 61.447 62.100 -0.112 0.000 0.970 421 T CB 1.730 70.528 68.868 -0.117 0.000 0.950 421 T HN 0.688 nan 8.240 nan 0.000 0.441 422 A N 2.710 125.328 122.820 -0.337 0.000 2.287 422 A HA 0.621 4.942 4.320 0.002 0.000 0.273 422 A C -0.236 176.836 177.584 -0.853 0.000 1.091 422 A CA -0.647 51.043 52.037 -0.579 0.000 0.817 422 A CB 0.248 19.060 19.000 -0.313 0.000 1.069 422 A HN 0.979 nan 8.150 nan 0.000 0.492 423 H N 1.115 119.971 119.070 -0.356 0.000 3.013 423 H HA 0.431 4.988 4.556 0.001 0.000 0.326 423 H C -1.332 173.874 175.328 -0.202 0.000 0.973 423 H CA -0.473 55.437 56.048 -0.231 0.000 1.369 423 H CB 1.555 31.187 29.762 -0.217 0.000 1.598 423 H HN 0.619 nan 8.280 nan 0.000 0.518 424 E N 3.795 123.975 120.200 -0.034 0.000 2.316 424 E HA 0.242 4.593 4.350 0.002 0.000 0.254 424 E C -2.073 174.509 176.600 -0.029 0.000 0.902 424 E CA -1.501 54.879 56.400 -0.035 0.000 0.801 424 E CB 2.363 32.039 29.700 -0.039 0.000 1.270 424 E HN 0.517 nan 8.360 nan 0.000 0.414 425 P HA 0.319 nan 4.420 nan 0.000 0.272 425 P C -2.530 174.702 177.300 -0.113 0.000 1.230 425 P CA -1.093 61.969 63.100 -0.063 0.000 0.788 425 P CB 0.174 31.830 31.700 -0.073 0.000 0.949 426 P HA 0.076 nan 4.420 nan 0.000 0.271 426 P C -0.179 176.919 177.300 -0.336 0.000 1.233 426 P CA -0.080 62.811 63.100 -0.348 0.000 0.789 426 P CB 0.679 31.869 31.700 -0.849 0.000 0.951 427 L N 1.537 122.536 121.223 -0.373 0.000 2.456 427 L HA 0.134 4.475 4.340 0.002 0.000 0.277 427 L C 0.737 177.325 176.870 -0.470 0.000 1.124 427 L CA -0.480 54.074 54.840 -0.476 0.000 0.880 427 L CB -0.279 41.475 42.059 -0.508 0.000 1.192 427 L HN 0.277 nan 8.230 nan 0.000 0.463 428 L N 5.378 126.312 121.223 -0.481 0.000 2.282 428 L HA 0.450 4.791 4.340 0.002 0.000 0.288 428 L C -0.894 175.770 176.870 -0.344 0.000 1.033 428 L CA 0.066 54.732 54.840 -0.290 0.000 0.807 428 L CB 0.673 42.633 42.059 -0.166 0.000 1.209 428 L HN 0.213 nan 8.230 nan 0.000 0.423 429 Y N 2.502 122.874 120.300 0.121 0.000 2.446 429 Y HA 0.380 4.931 4.550 0.001 0.000 0.345 429 Y C -0.205 175.755 175.900 0.100 0.000 0.984 429 Y CA -0.988 57.177 58.100 0.109 0.000 1.058 429 Y CB 1.655 40.171 38.460 0.093 0.000 1.220 429 Y HN 0.482 nan 8.280 nan 0.000 0.455 430 D N 3.519 124.038 120.400 0.198 0.000 2.467 430 D HA 0.204 4.845 4.640 0.002 0.000 0.220 430 D C 0.547 176.839 176.300 -0.014 0.000 1.103 430 D CA 0.074 54.032 54.000 -0.071 0.000 0.886 430 D CB 0.870 41.613 40.800 -0.095 0.000 1.025 430 D HN 0.685 nan 8.370 nan 0.000 0.514 431 L N 2.520 123.726 121.223 -0.029 0.000 2.275 431 L HA -0.149 4.192 4.340 0.002 0.000 0.215 431 L C 2.445 179.302 176.870 -0.022 0.000 1.119 431 L CA 0.775 55.617 54.840 0.003 0.000 0.790 431 L CB -0.334 41.750 42.059 0.043 0.000 0.919 431 L HN 0.350 nan 8.230 nan 0.000 0.443 432 S N 0.714 116.371 115.700 -0.072 0.000 2.423 432 S HA -0.178 4.293 4.470 0.002 0.000 0.231 432 S C 1.745 176.316 174.600 -0.048 0.000 1.014 432 S CA 1.086 59.244 58.200 -0.071 0.000 0.965 432 S CB -0.133 63.004 63.200 -0.106 0.000 0.785 432 S HN 0.649 nan 8.310 nan 0.000 0.495 433 K N -0.314 120.068 120.400 -0.030 0.000 2.412 433 K HA 0.307 4.628 4.320 0.002 0.000 0.202 433 K C -0.309 176.321 176.600 0.050 0.000 1.102 433 K CA 0.312 56.600 56.287 0.003 0.000 1.027 433 K CB 0.303 32.803 32.500 -0.000 0.000 0.931 433 K HN 0.244 nan 8.250 nan 0.000 0.557 434 D N 1.810 122.244 120.400 0.056 0.000 2.735 434 D HA 0.170 4.811 4.640 0.002 0.000 0.291 434 D C -1.966 174.339 176.300 0.009 0.000 1.205 434 D CA -1.965 52.086 54.000 0.086 0.000 0.777 434 D CB 1.367 42.284 40.800 0.195 0.000 1.234 434 D HN -0.085 nan 8.370 nan 0.000 0.520 435 P HA 0.041 nan 4.420 nan 0.000 0.226 435 P C 1.269 178.505 177.300 -0.107 0.000 1.153 435 P CA 0.453 63.524 63.100 -0.048 0.000 0.777 435 P CB 0.318 31.996 31.700 -0.037 0.000 0.794 436 G N 0.052 108.779 108.800 -0.122 0.000 2.920 436 G HA2 -0.062 3.899 3.960 0.002 0.000 0.208 436 G HA3 -0.062 3.899 3.960 0.002 0.000 0.208 436 G C 0.275 174.985 174.900 -0.317 0.000 1.159 436 G CA -0.205 44.784 45.100 -0.186 0.000 0.784 436 G HN 0.243 nan 8.290 nan 0.000 0.535 437 E N -1.009 118.949 120.200 -0.402 0.000 2.252 437 E HA -0.229 4.122 4.350 0.002 0.000 0.218 437 E C 0.562 176.736 176.600 -0.709 0.000 1.253 437 E CA 0.435 56.306 56.400 -0.883 0.000 0.705 437 E CB -1.391 27.726 29.700 -0.971 0.000 1.172 437 E HN 0.597 nan 8.360 nan 0.000 0.369 438 N N -0.907 117.501 118.700 -0.486 0.000 2.454 438 N HA 0.041 4.782 4.740 0.002 0.000 0.177 438 N C -0.448 174.730 175.510 -0.553 0.000 1.049 438 N CA 0.514 53.185 53.050 -0.632 0.000 0.887 438 N CB 0.455 38.301 38.487 -1.067 0.000 1.095 438 N HN 0.152 nan 8.380 nan 0.000 0.446 439 Y N 0.841 121.269 120.300 0.214 0.000 2.478 439 Y HA 0.352 4.903 4.550 0.001 0.000 0.329 439 Y C -0.276 175.708 175.900 0.140 0.000 0.967 439 Y CA -1.661 56.535 58.100 0.159 0.000 1.255 439 Y CB 0.069 38.578 38.460 0.080 0.000 1.103 439 Y HN -0.080 nan 8.280 nan 0.000 0.497 440 N N 3.366 122.107 118.700 0.068 0.000 2.452 440 N HA 0.077 4.818 4.740 0.002 0.000 0.266 440 N C 0.633 176.079 175.510 -0.107 0.000 1.175 440 N CA 0.298 53.189 53.050 -0.265 0.000 0.945 440 N CB 0.781 39.078 38.487 -0.316 0.000 1.063 440 N HN 0.752 nan 8.380 nan 0.000 0.472 441 L N 2.623 123.779 121.223 -0.111 0.000 2.056 441 L HA -0.120 4.221 4.340 0.002 0.000 0.207 441 L C 1.307 178.138 176.870 -0.065 0.000 1.078 441 L CA 0.689 55.510 54.840 -0.033 0.000 0.749 441 L CB -0.258 41.813 42.059 0.021 0.000 0.901 441 L HN 0.492 nan 8.230 nan 0.000 0.433 442 L N 0.205 121.357 121.223 -0.118 0.000 2.650 442 L HA 0.129 4.470 4.340 0.002 0.000 0.235 442 L C 1.445 178.259 176.870 -0.093 0.000 1.149 442 L CA 0.274 55.050 54.840 -0.107 0.000 0.887 442 L CB -1.335 40.642 42.059 -0.135 0.000 1.021 442 L HN 0.048 nan 8.230 nan 0.000 0.441 449 T N 3.296 117.833 114.554 -0.030 0.000 2.908 449 T HA 0.323 4.674 4.350 0.002 0.000 0.301 449 T C -1.826 172.853 174.700 -0.035 0.000 1.019 449 T CA 0.375 62.462 62.100 -0.022 0.000 1.152 449 T CB 0.936 69.801 68.868 -0.004 0.000 0.966 449 T HN 0.264 nan 8.240 nan 0.000 0.540 450 P HA -0.168 nan 4.420 nan 0.000 0.217 450 P C 1.440 178.714 177.300 -0.043 0.000 1.151 450 P CA 0.984 64.066 63.100 -0.031 0.000 0.849 450 P CB 0.256 31.946 31.700 -0.017 0.000 0.787 451 E N -0.608 119.574 120.200 -0.031 0.000 2.047 451 E HA -0.128 4.223 4.350 0.002 0.000 0.191 451 E C 1.837 178.354 176.600 -0.139 0.000 0.987 451 E CA 1.091 57.471 56.400 -0.033 0.000 0.799 451 E CB -0.340 29.383 29.700 0.038 0.000 0.752 451 E HN -0.063 nan 8.360 nan 0.000 0.449 452 V N 1.364 121.192 119.914 -0.143 0.000 2.261 452 V HA -0.254 3.867 4.120 0.002 0.000 0.246 452 V C 2.508 178.443 176.094 -0.265 0.000 1.047 452 V CA 1.577 63.707 62.300 -0.284 0.000 1.015 452 V CB -0.524 31.226 31.823 -0.121 0.000 0.642 452 V HN 0.336 nan 8.190 nan 0.000 0.446 453 L N -0.118 121.015 121.223 -0.150 0.000 2.127 453 L HA -0.227 4.114 4.340 0.002 0.000 0.211 453 L C 2.469 179.271 176.870 -0.115 0.000 1.089 453 L CA 2.157 56.928 54.840 -0.115 0.000 0.757 453 L CB -0.656 41.359 42.059 -0.073 0.000 0.899 453 L HN 0.418 nan 8.230 nan 0.000 0.434 454 Q N -1.382 118.346 119.800 -0.119 0.000 2.172 454 Q HA -0.120 4.221 4.340 0.002 0.000 0.200 454 Q C 2.109 178.035 176.000 -0.124 0.000 0.964 454 Q CA 1.168 56.915 55.803 -0.094 0.000 0.855 454 Q CB -0.072 28.625 28.738 -0.068 0.000 0.918 454 Q HN 0.618 nan 8.270 nan 0.000 0.444 455 A N 0.665 123.346 122.820 -0.232 0.000 1.969 455 A HA -0.139 4.182 4.320 0.002 0.000 0.218 455 A C 1.925 179.390 177.584 -0.198 0.000 1.169 455 A CA 0.995 52.858 52.037 -0.291 0.000 0.635 455 A CB -0.565 17.980 19.000 -0.758 0.000 0.810 455 A HN 0.469 nan 8.150 nan 0.000 0.445 456 L N 0.094 121.201 121.223 -0.192 0.000 1.976 456 L HA -0.137 4.204 4.340 0.002 0.000 0.209 456 L C 2.187 179.037 176.870 -0.033 0.000 1.071 456 L CA 2.351 57.124 54.840 -0.112 0.000 0.746 456 L CB -0.560 41.431 42.059 -0.113 0.000 0.890 456 L HN 0.324 nan 8.230 nan 0.000 0.432 457 K N -0.856 119.522 120.400 -0.036 0.000 2.211 457 K HA -0.248 4.073 4.320 0.002 0.000 0.204 457 K C 2.121 178.729 176.600 0.013 0.000 1.047 457 K CA 1.714 57.998 56.287 -0.005 0.000 0.935 457 K CB -0.205 32.286 32.500 -0.016 0.000 0.728 457 K HN 0.571 nan 8.250 nan 0.000 0.452 458 Q N 1.043 120.842 119.800 -0.001 0.000 2.049 458 Q HA -0.093 4.248 4.340 0.002 0.000 0.198 458 Q C 2.096 178.128 176.000 0.053 0.000 0.971 458 Q CA 0.950 56.763 55.803 0.018 0.000 0.833 458 Q CB 0.059 28.796 28.738 -0.001 0.000 0.896 458 Q HN 0.276 nan 8.270 nan 0.000 0.434 459 L N 0.525 121.784 121.223 0.061 0.000 2.131 459 L HA -0.207 4.134 4.340 0.002 0.000 0.210 459 L C 2.577 179.604 176.870 0.262 0.000 1.092 459 L CA 1.225 56.146 54.840 0.136 0.000 0.759 459 L CB -0.302 41.819 42.059 0.105 0.000 0.903 459 L HN 0.330 nan 8.230 nan 0.000 0.435 460 Q N -0.630 119.307 119.800 0.229 0.000 2.123 460 Q HA -0.202 4.139 4.340 0.002 0.000 0.199 460 Q C 2.212 178.254 176.000 0.070 0.000 0.966 460 Q CA 1.087 57.021 55.803 0.218 0.000 0.845 460 Q CB -0.111 28.729 28.738 0.169 0.000 0.907 460 Q HN 0.332 nan 8.270 nan 0.000 0.439 461 L N 0.577 121.839 121.223 0.066 0.000 2.109 461 L HA -0.105 4.236 4.340 0.002 0.000 0.207 461 L C 1.903 178.806 176.870 0.054 0.000 1.086 461 L CA 1.422 56.286 54.840 0.040 0.000 0.760 461 L CB -0.359 41.722 42.059 0.037 0.000 0.910 461 L HN 0.185 nan 8.230 nan 0.000 0.437 462 L N -0.452 120.834 121.223 0.106 0.000 2.083 462 L HA -0.253 4.088 4.340 0.002 0.000 0.209 462 L C 2.628 179.620 176.870 0.204 0.000 1.083 462 L CA 1.690 56.646 54.840 0.193 0.000 0.752 462 L CB -0.570 41.645 42.059 0.260 0.000 0.899 462 L HN 0.363 nan 8.230 nan 0.000 0.433 463 K N 0.487 120.950 120.400 0.106 0.000 2.002 463 K HA -0.189 4.132 4.320 0.002 0.000 0.209 463 K C 2.146 178.687 176.600 -0.098 0.000 1.048 463 K CA 1.447 57.708 56.287 -0.044 0.000 0.930 463 K CB -0.147 32.090 32.500 -0.438 0.000 0.714 463 K HN 0.222 nan 8.250 nan 0.000 0.438 464 A N 1.114 123.874 122.820 -0.101 0.000 1.978 464 A HA -0.226 4.095 4.320 0.002 0.000 0.220 464 A C 2.026 179.577 177.584 -0.056 0.000 1.170 464 A CA 1.645 53.635 52.037 -0.079 0.000 0.636 464 A CB -0.516 18.449 19.000 -0.058 0.000 0.810 464 A HN 0.536 nan 8.150 nan 0.000 0.448 465 Q N -1.410 118.367 119.800 -0.039 0.000 2.079 465 Q HA -0.092 4.249 4.340 0.002 0.000 0.200 465 Q C 2.088 178.037 176.000 -0.085 0.000 0.974 465 Q CA 1.341 57.118 55.803 -0.043 0.000 0.840 465 Q CB -0.237 28.492 28.738 -0.015 0.000 0.898 465 Q HN 0.582 nan 8.270 nan 0.000 0.430 466 L N 1.091 122.229 121.223 -0.141 0.000 2.072 466 L HA -0.151 4.190 4.340 0.002 0.000 0.205 466 L C 1.444 178.254 176.870 -0.100 0.000 1.079 466 L CA 1.750 56.458 54.840 -0.220 0.000 0.752 466 L CB -0.273 41.497 42.059 -0.483 0.000 0.906 466 L HN 0.088 nan 8.230 nan 0.000 0.436 467 D N -0.230 120.128 120.400 -0.070 0.000 2.182 467 D HA -0.161 4.480 4.640 0.002 0.000 0.201 467 D C 2.150 178.427 176.300 -0.038 0.000 0.986 467 D CA 1.409 55.392 54.000 -0.029 0.000 0.847 467 D CB -0.098 40.672 40.800 -0.050 0.000 0.942 467 D HN 0.490 nan 8.370 nan 0.000 0.467 468 A N 0.733 123.525 122.820 -0.048 0.000 1.897 468 A HA 0.107 4.428 4.320 0.002 0.000 0.215 468 A C 2.255 179.817 177.584 -0.036 0.000 1.181 468 A CA 1.849 53.861 52.037 -0.042 0.000 0.620 468 A CB -0.494 18.482 19.000 -0.039 0.000 0.821 468 A HN 0.232 nan 8.150 nan 0.000 0.443 469 A N -0.459 122.336 122.820 -0.043 0.000 1.843 469 A HA 0.277 4.598 4.320 0.002 0.000 0.213 469 A C 1.089 178.657 177.584 -0.027 0.000 1.202 469 A CA 0.885 52.898 52.037 -0.041 0.000 0.607 469 A CB -0.918 18.045 19.000 -0.061 0.000 0.847 469 A HN 0.342 nan 8.150 nan 0.000 0.445 470 V N 1.395 121.299 119.914 -0.017 0.000 2.529 470 V HA 0.289 4.410 4.120 0.002 0.000 0.292 470 V C 0.524 176.671 176.094 0.089 0.000 1.028 470 V CA 0.607 62.923 62.300 0.026 0.000 1.074 470 V CB 0.599 32.456 31.823 0.057 0.000 0.958 470 V HN 0.447 nan 8.190 nan 0.000 0.481 471 T N 6.436 121.042 114.554 0.087 0.000 2.779 471 T HA 0.515 4.866 4.350 0.002 0.000 0.280 471 T C -0.473 174.366 174.700 0.231 0.000 0.987 471 T CA -0.574 61.600 62.100 0.123 0.000 0.966 471 T CB 0.092 68.991 68.868 0.051 0.000 0.933 471 T HN 0.248 nan 8.240 nan 0.000 0.442 472 F N 3.744 123.651 119.950 -0.072 0.000 2.571 472 F HA 0.384 4.912 4.527 0.002 0.000 0.384 472 F C 1.521 177.345 175.800 0.041 0.000 1.058 472 F CA -0.588 57.374 58.000 -0.063 0.000 1.200 472 F CB -0.068 38.864 39.000 -0.113 0.000 1.077 472 F HN 0.663 nan 8.300 nan 0.000 0.558 473 G N 4.404 113.304 108.800 0.167 0.000 2.539 473 G HA2 0.381 4.342 3.960 0.002 0.000 0.258 473 G HA3 0.381 4.342 3.960 0.002 0.000 0.258 473 G C -2.725 172.248 174.900 0.122 0.000 1.202 473 G CA -1.477 43.683 45.100 0.101 0.000 0.851 473 G HN 0.344 nan 8.290 nan 0.000 0.556 474 P HA 0.026 nan 4.420 nan 0.000 0.260 474 P C 0.252 177.437 177.300 -0.190 0.000 1.172 474 P CA 0.218 63.299 63.100 -0.032 0.000 0.760 474 P CB 0.711 32.392 31.700 -0.032 0.000 0.773 475 S N 3.363 118.870 115.700 -0.322 0.000 2.571 475 S HA -0.050 4.421 4.470 0.002 0.000 0.297 475 S C 1.329 175.701 174.600 -0.380 0.000 1.234 475 S CA -0.174 57.639 58.200 -0.645 0.000 1.120 475 S CB -0.165 62.678 63.200 -0.595 0.000 0.923 475 S HN 0.289 nan 8.310 nan 0.000 0.504 476 Q N 3.799 123.367 119.800 -0.388 0.000 2.172 476 Q HA -0.047 4.294 4.340 0.002 0.000 0.200 476 Q C 2.161 178.029 176.000 -0.220 0.000 0.964 476 Q CA 1.106 56.750 55.803 -0.266 0.000 0.855 476 Q CB -0.324 28.240 28.738 -0.290 0.000 0.918 476 Q HN 0.735 nan 8.270 nan 0.000 0.444 477 V N 0.881 120.641 119.914 -0.257 0.000 2.548 477 V HA -0.120 4.001 4.120 0.002 0.000 0.249 477 V C 2.108 178.130 176.094 -0.121 0.000 1.055 477 V CA 1.460 63.655 62.300 -0.175 0.000 1.065 477 V CB -0.801 30.910 31.823 -0.185 0.000 0.681 477 V HN 0.236 nan 8.190 nan 0.000 0.462 478 A N -0.225 122.509 122.820 -0.143 0.000 2.235 478 A HA -0.039 4.282 4.320 0.002 0.000 0.208 478 A C 2.157 179.707 177.584 -0.056 0.000 1.172 478 A CA 0.449 52.437 52.037 -0.080 0.000 0.786 478 A CB -0.496 18.456 19.000 -0.080 0.000 0.804 478 A HN 0.485 nan 8.150 nan 0.000 0.479 479 R N -0.432 120.029 120.500 -0.065 0.000 2.357 479 R HA 0.205 4.546 4.340 0.002 0.000 0.202 479 R C 1.015 177.309 176.300 -0.010 0.000 1.047 479 R CA 0.462 56.542 56.100 -0.033 0.000 1.034 479 R CB -0.355 29.927 30.300 -0.030 0.000 0.875 479 R HN 0.650 nan 8.270 nan 0.000 0.473 480 G N 0.966 109.759 108.800 -0.013 0.000 2.712 480 G HA2 -0.223 3.738 3.960 0.002 0.000 0.683 480 G HA3 -0.223 3.738 3.960 0.002 0.000 0.683 480 G C -1.079 173.826 174.900 0.008 0.000 1.320 480 G CA -0.839 44.261 45.100 0.001 0.000 0.847 480 G HN 0.247 nan 8.290 nan 0.000 0.553 481 E N -0.362 119.846 120.200 0.012 0.000 2.256 481 E HA 0.574 4.925 4.350 0.002 0.000 0.267 481 E C -1.315 175.297 176.600 0.021 0.000 0.892 481 E CA -0.758 55.651 56.400 0.016 0.000 0.775 481 E CB 2.332 32.037 29.700 0.010 0.000 1.207 481 E HN 0.486 nan 8.360 nan 0.000 0.420 482 D N 2.081 122.497 120.400 0.027 0.000 2.479 482 D HA 0.170 4.811 4.640 0.002 0.000 0.246 482 D C -2.040 174.278 176.300 0.030 0.000 1.336 482 D CA -2.021 51.996 54.000 0.029 0.000 0.967 482 D CB 1.478 42.299 40.800 0.035 0.000 1.275 482 D HN 0.055 nan 8.370 nan 0.000 0.577 483 P HA -0.123 nan 4.420 nan 0.000 0.223 483 P C 0.984 178.302 177.300 0.031 0.000 1.144 483 P CA 0.529 63.643 63.100 0.023 0.000 0.783 483 P CB 0.261 31.972 31.700 0.018 0.000 0.771 484 A N -0.213 122.626 122.820 0.032 0.000 2.168 484 A HA -0.023 4.298 4.320 0.002 0.000 0.215 484 A C 2.141 179.751 177.584 0.044 0.000 1.152 484 A CA 0.686 52.744 52.037 0.034 0.000 0.716 484 A CB -1.249 17.769 19.000 0.030 0.000 0.794 484 A HN 0.193 nan 8.150 nan 0.000 0.465 485 L N -0.477 120.778 121.223 0.054 0.000 2.591 485 L HA 0.021 4.362 4.340 0.002 0.000 0.228 485 L C 0.556 177.480 176.870 0.090 0.000 1.133 485 L CA -0.091 54.793 54.840 0.073 0.000 0.880 485 L CB -0.291 41.821 42.059 0.088 0.000 1.033 485 L HN 0.417 nan 8.230 nan 0.000 0.450 486 Q N 1.346 121.191 119.800 0.075 0.000 2.289 486 Q HA 0.186 4.527 4.340 0.002 0.000 0.273 486 Q C -0.106 175.946 176.000 0.086 0.000 1.029 486 Q CA -0.049 55.808 55.803 0.089 0.000 0.896 486 Q CB 1.174 29.947 28.738 0.059 0.000 1.182 486 Q HN 0.293 nan 8.270 nan 0.000 0.385 487 I N 2.448 123.085 120.570 0.112 0.000 2.664 487 I HA -0.097 4.074 4.170 0.002 0.000 0.284 487 I C 0.106 176.247 176.117 0.039 0.000 1.154 487 I CA 0.061 61.405 61.300 0.075 0.000 1.402 487 I CB 0.120 38.162 38.000 0.070 0.000 1.395 487 I HN 0.588 nan 8.210 nan 0.000 0.545 488 c N 6.962 125.580 118.600 0.030 0.000 2.379 488 c HA 0.270 4.841 4.570 0.002 0.000 0.323 488 c C 1.647 175.748 174.090 0.018 0.000 1.262 488 c CA -0.668 55.666 56.329 0.009 0.000 1.581 488 c CB 0.801 43.325 42.510 0.022 0.000 2.221 488 c HN 1.103 nan 8.230 nan 0.000 0.497 489 c N 2.833 121.421 118.600 -0.019 0.000 2.429 489 c HA -0.001 4.571 4.570 0.002 0.000 0.277 489 c C 1.106 175.343 174.090 0.244 0.000 1.262 489 c CA 0.875 57.235 56.329 0.051 0.000 1.733 489 c CB -1.428 41.064 42.510 -0.029 0.000 2.010 489 c HN 0.853 nan 8.230 nan 0.000 0.483 490 H N 0.334 119.413 119.070 0.015 0.000 2.661 490 H HA 0.286 4.843 4.556 0.002 0.000 0.290 490 H C -2.449 172.889 175.328 0.016 0.000 1.082 490 H CA -2.027 54.031 56.048 0.016 0.000 1.234 490 H CB 0.492 30.267 29.762 0.022 0.000 1.387 490 H HN 0.280 nan 8.280 nan 0.000 0.476 491 P HA -0.017 nan 4.420 nan 0.000 0.265 491 P C 0.869 178.208 177.300 0.065 0.000 1.193 491 P CA 0.641 63.786 63.100 0.074 0.000 0.765 491 P CB 0.676 32.406 31.700 0.050 0.000 0.823 492 G N 1.766 110.598 108.800 0.053 0.000 2.246 492 G HA2 -0.258 3.703 3.960 0.002 0.000 0.273 492 G HA3 -0.258 3.703 3.960 0.002 0.000 0.273 492 G C 0.410 175.342 174.900 0.053 0.000 1.055 492 G CA -0.230 44.896 45.100 0.043 0.000 0.851 492 G HN 0.766 nan 8.290 nan 0.000 0.500 493 c N 0.764 119.404 118.600 0.066 0.000 2.649 493 c HA 0.869 5.440 4.570 0.002 0.000 0.377 493 c C 1.069 175.190 174.090 0.051 0.000 1.321 493 c CA 0.944 57.319 56.329 0.076 0.000 2.368 493 c CB 0.411 42.967 42.510 0.077 0.000 2.597 493 c HN 1.415 nan 8.230 nan 0.000 0.678 494 T N 2.365 116.950 114.554 0.051 0.000 3.193 494 T HA 0.540 4.892 4.350 0.002 0.000 0.332 494 T C -3.063 171.657 174.700 0.034 0.000 1.208 494 T CA -0.738 61.384 62.100 0.036 0.000 1.080 494 T CB 1.353 70.240 68.868 0.031 0.000 1.180 494 T HN 0.690 nan 8.240 nan 0.000 0.469 495 P HA 0.448 nan 4.420 nan 0.000 0.297 495 P C -0.382 176.932 177.300 0.024 0.000 1.331 495 P CA -0.629 62.485 63.100 0.023 0.000 0.803 495 P CB 1.074 32.785 31.700 0.019 0.000 0.929 496 R N 3.840 124.355 120.500 0.024 0.000 2.694 496 R HA 0.167 4.508 4.340 0.002 0.000 0.268 496 R C -0.959 175.353 176.300 0.021 0.000 1.061 496 R CA -0.989 55.124 56.100 0.022 0.000 1.133 496 R CB 0.193 30.506 30.300 0.023 0.000 1.020 496 R HN 0.461 nan 8.270 nan 0.000 0.475 497 P HA 0.082 nan 4.420 nan 0.000 0.252 497 P C 0.650 177.963 177.300 0.021 0.000 1.218 497 P CA 0.397 63.507 63.100 0.016 0.000 0.807 497 P CB 0.420 32.128 31.700 0.013 0.000 1.072 498 A N 1.088 123.929 122.820 0.035 0.000 1.986 498 A HA -0.232 4.089 4.320 0.002 0.000 0.220 498 A C 2.389 180.034 177.584 0.103 0.000 1.171 498 A CA 1.947 54.024 52.037 0.067 0.000 0.640 498 A CB -1.776 17.254 19.000 0.050 0.000 0.811 498 A HN 0.520 nan 8.150 nan 0.000 0.451 499 c N -2.066 116.565 118.600 0.052 0.000 2.456 499 c HA 0.157 4.728 4.570 0.002 0.000 0.279 499 c C 1.218 175.297 174.090 -0.018 0.000 1.427 499 c CA -0.775 55.576 56.329 0.035 0.000 1.778 499 c CB -2.455 40.073 42.510 0.030 0.000 1.842 499 c HN 0.542 nan 8.230 nan 0.000 0.531 500 c N 3.225 121.803 118.600 -0.037 0.000 2.573 500 c HA 0.413 4.984 4.570 0.002 0.000 0.369 500 c C 0.243 174.220 174.090 -0.189 0.000 1.205 500 c CA 0.376 56.608 56.329 -0.161 0.000 1.535 500 c CB -2.394 40.057 42.510 -0.098 0.000 2.159 500 c HN 0.687 nan 8.230 nan 0.000 0.558 501 H N 0.899 119.714 119.070 -0.425 0.000 2.961 501 H HA 0.559 5.116 4.556 0.002 0.000 0.371 501 H C -0.531 174.670 175.328 -0.212 0.000 1.190 501 H CA -0.248 55.648 56.048 -0.253 0.000 1.138 501 H CB 2.225 31.894 29.762 -0.155 0.000 1.816 501 H HN 0.754 nan 8.280 nan 0.000 0.551 502 c N 1.336 119.955 118.600 0.031 0.000 2.299 502 c HA 0.197 4.768 4.570 0.002 0.000 0.344 502 c C -3.151 170.954 174.090 0.025 0.000 0.710 502 c CA -1.330 55.040 56.329 0.069 0.000 0.785 502 c CB -1.491 41.067 42.510 0.080 0.000 1.371 502 c HN 0.409 nan 8.230 nan 0.000 0.728 503 P HA 0.317 nan 4.420 nan 0.000 0.280 503 P C 0.077 177.369 177.300 -0.013 0.000 1.278 503 P CA 0.569 63.683 63.100 0.023 0.000 0.787 503 P CB 0.728 32.464 31.700 0.060 0.000 1.163 504 D N 0.000 120.377 120.400 -0.038 0.000 6.856 504 D HA 0.000 4.641 4.640 0.002 0.000 0.175 504 D CA 0.000 53.956 54.000 -0.074 0.000 0.868 504 D CB 0.000 40.758 40.800 -0.070 0.000 0.688 504 D HN 0.000 nan 8.370 nan 0.000 0.683