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 3os2_1_A DATA FIRST_RESID 10 DATA SEQUENCE AELDQLLQGH YIKGYPKQYT YFLEDGKVKV SRPEGVKIIP PQSDRQKIVL DATA SEQUENCE QAHNLAHTGR EATLLKIANL YWWPNMRKDV VKQLGRCQQC LITNASNKAS DATA SEQUENCE GPILRPDRPQ KPFDKFFIDY IGPLPPSQGY LYVLVVVDGM TGFTWLYPTK DATA SEQUENCE APSTSATVKS LNVLTSIAIP KVIHSDQGAA FTSSTFAEWA KERGIHLEFS DATA SEQUENCE TPYHPQSSGK VERKNSDIKR LLTKLLVGRP TKWYDLLPVV QLALNNTYSP DATA SEQUENCE VLKYTPHQLL FGIDSNTPFA NQDTLDLTRE EELSLLQEIR TSLYHPSTPP DATA SEQUENCE ASSRSWSPVV GQLVQERVAR PASLRPRWHK PSTVLKVLNP RTVVILDHLG DATA SEQUENCE NNRTVSIDNL KPTSH 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 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.566 177.584 -0.030 0.000 1.274 10 A CA 0.000 52.028 52.037 -0.015 0.000 0.836 10 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 11 E N 1.789 121.962 120.200 -0.046 0.000 2.571 11 E HA 0.148 4.498 4.350 0.001 0.000 0.204 11 E C -0.169 176.384 176.600 -0.078 0.000 0.851 11 E CA 0.237 56.603 56.400 -0.056 0.000 1.358 11 E CB -0.072 29.596 29.700 -0.055 0.000 1.327 11 E HN 0.577 nan 8.360 nan 0.000 0.665 12 L N 4.038 125.204 121.223 -0.095 0.000 2.648 12 L HA 0.225 4.565 4.340 0.001 0.000 0.238 12 L C 0.609 177.377 176.870 -0.169 0.000 1.316 12 L CA 0.107 54.857 54.840 -0.150 0.000 1.241 12 L CB 0.107 42.059 42.059 -0.178 0.000 1.499 12 L HN 0.226 nan 8.230 nan 0.000 0.411 13 D N -1.231 119.100 120.400 -0.114 0.000 2.398 13 D HA -0.073 4.567 4.640 0.001 0.000 0.210 13 D C 1.129 177.391 176.300 -0.063 0.000 1.094 13 D CA -0.114 53.839 54.000 -0.079 0.000 0.839 13 D CB 0.414 41.194 40.800 -0.032 0.000 0.963 13 D HN 0.298 nan 8.370 nan 0.000 0.506 14 Q N 0.461 120.211 119.800 -0.084 0.000 2.443 14 Q HA -0.027 4.314 4.340 0.001 0.000 0.213 14 Q C 1.883 177.913 176.000 0.050 0.000 0.982 14 Q CA 0.722 56.522 55.803 -0.006 0.000 0.894 14 Q CB -0.340 28.331 28.738 -0.110 0.000 0.947 14 Q HN 0.305 nan 8.270 nan 0.000 0.480 15 L N -0.772 120.390 121.223 -0.102 0.000 2.275 15 L HA -0.143 4.197 4.340 0.001 0.000 0.215 15 L C 1.724 178.567 176.870 -0.046 0.000 1.119 15 L CA 1.011 55.744 54.840 -0.179 0.000 0.790 15 L CB -0.317 41.469 42.059 -0.455 0.000 0.919 15 L HN 0.246 nan 8.230 nan 0.000 0.443 16 L N -1.257 119.975 121.223 0.016 0.000 2.141 16 L HA -0.208 4.132 4.340 0.001 0.000 0.209 16 L C 2.370 179.283 176.870 0.071 0.000 1.094 16 L CA 0.999 55.882 54.840 0.071 0.000 0.763 16 L CB -0.277 41.824 42.059 0.070 0.000 0.908 16 L HN 0.255 nan 8.230 nan 0.000 0.437 17 Q N -0.601 119.246 119.800 0.079 0.000 2.389 17 Q HA 0.119 4.460 4.340 0.001 0.000 0.204 17 Q C 1.404 177.369 176.000 -0.059 0.000 0.944 17 Q CA 0.899 56.735 55.803 0.056 0.000 0.908 17 Q CB 0.493 29.330 28.738 0.165 0.000 1.002 17 Q HN 0.475 nan 8.270 nan 0.000 0.493 18 G N -0.684 108.085 108.800 -0.052 0.000 2.154 18 G HA2 -0.181 3.779 3.960 0.001 0.000 0.186 18 G HA3 -0.181 3.779 3.960 0.001 0.000 0.186 18 G C -0.297 174.515 174.900 -0.146 0.000 1.000 18 G CA -0.536 44.507 45.100 -0.094 0.000 0.664 18 G HN 0.332 nan 8.290 nan 0.000 0.513 19 H N -0.805 118.253 119.070 -0.019 0.000 2.615 19 H HA 0.381 4.938 4.556 0.001 0.000 0.363 19 H C -0.131 175.195 175.328 -0.003 0.000 1.148 19 H CA 0.263 56.309 56.048 -0.003 0.000 1.401 19 H CB 1.095 30.840 29.762 -0.028 0.000 1.461 19 H HN 0.242 nan 8.280 nan 0.000 0.588 20 Y N 1.893 122.224 120.300 0.052 0.000 2.323 20 Y HA 0.358 4.908 4.550 0.001 0.000 0.331 20 Y C -0.662 175.235 175.900 -0.004 0.000 1.092 20 Y CA -0.639 57.463 58.100 0.003 0.000 1.150 20 Y CB 0.435 38.911 38.460 0.027 0.000 1.200 20 Y HN 0.394 nan 8.280 nan 0.000 0.472 21 I N 6.024 126.107 120.570 -0.812 0.000 2.447 21 I HA 0.346 4.516 4.170 0.001 0.000 0.287 21 I C -0.170 175.531 176.117 -0.693 0.000 1.023 21 I CA -1.166 59.761 61.300 -0.622 0.000 1.083 21 I CB 1.367 39.099 38.000 -0.448 0.000 1.245 21 I HN 0.739 nan 8.210 nan 0.000 0.434 22 K N 4.152 124.297 120.400 -0.424 0.000 2.511 22 K HA 0.298 4.618 4.320 0.001 0.000 0.277 22 K C 1.160 177.789 176.600 0.049 0.000 1.025 22 K CA 0.814 57.032 56.287 -0.115 0.000 1.112 22 K CB -0.769 31.762 32.500 0.052 0.000 0.859 22 K HN 1.245 nan 8.250 nan 0.000 0.485 23 G N 0.838 109.716 108.800 0.129 0.000 2.195 23 G HA2 -0.207 3.753 3.960 0.001 0.000 0.246 23 G HA3 -0.207 3.753 3.960 0.001 0.000 0.246 23 G C -0.007 174.974 174.900 0.135 0.000 0.984 23 G CA 0.365 45.541 45.100 0.125 0.000 0.633 23 G HN 0.902 nan 8.290 nan 0.000 0.525 24 Y N 1.725 122.102 120.300 0.128 0.000 2.353 24 Y HA 0.515 5.065 4.550 0.001 0.000 0.340 24 Y C -1.754 174.364 175.900 0.365 0.000 0.972 24 Y CA -2.111 56.167 58.100 0.298 0.000 1.157 24 Y CB 1.521 40.037 38.460 0.093 0.000 1.157 24 Y HN 0.002 nan 8.280 nan 0.000 0.495 25 P HA 0.051 nan 4.420 nan 0.000 0.270 25 P C 0.384 177.957 177.300 0.454 0.000 1.223 25 P CA -0.307 63.054 63.100 0.436 0.000 0.785 25 P CB 1.102 33.021 31.700 0.365 0.000 0.923 26 K N 0.820 121.370 120.400 0.250 0.000 2.313 26 K HA -0.004 4.317 4.320 0.001 0.000 0.197 26 K C 1.483 178.132 176.600 0.081 0.000 1.061 26 K CA 0.676 57.090 56.287 0.211 0.000 0.980 26 K CB 0.137 32.716 32.500 0.132 0.000 0.888 26 K HN 0.567 nan 8.250 nan 0.000 0.502 27 Q N 0.127 119.835 119.800 -0.154 0.000 2.518 27 Q HA -0.055 4.286 4.340 0.001 0.000 0.217 27 Q C -0.450 175.314 176.000 -0.394 0.000 0.974 27 Q CA 0.556 56.190 55.803 -0.281 0.000 0.971 27 Q CB -0.284 28.249 28.738 -0.342 0.000 0.988 27 Q HN 0.083 nan 8.270 nan 0.000 0.536 28 Y N 0.773 121.115 120.300 0.069 0.000 2.675 28 Y HA 0.492 5.043 4.550 0.001 0.000 0.328 28 Y C 0.375 176.322 175.900 0.078 0.000 1.092 28 Y CA -1.262 56.817 58.100 -0.035 0.000 1.190 28 Y CB 1.336 39.621 38.460 -0.291 0.000 1.350 28 Y HN -0.026 nan 8.280 nan 0.000 0.525 29 T N -1.764 112.903 114.554 0.189 0.000 2.840 29 T HA 0.505 4.856 4.350 0.001 0.000 0.287 29 T C -1.471 173.327 174.700 0.163 0.000 0.991 29 T CA -0.780 61.482 62.100 0.270 0.000 0.964 29 T CB 0.048 69.067 68.868 0.251 0.000 0.954 29 T HN 0.440 nan 8.240 nan 0.000 0.438 30 Y N 3.929 124.290 120.300 0.101 0.000 2.700 30 Y HA 0.461 5.011 4.550 0.001 0.000 0.333 30 Y C 0.417 176.322 175.900 0.009 0.000 1.036 30 Y CA -1.588 56.496 58.100 -0.026 0.000 1.287 30 Y CB -0.096 38.380 38.460 0.027 0.000 1.132 30 Y HN 0.738 nan 8.280 nan 0.000 0.510 31 F N 1.271 121.308 119.950 0.146 0.000 2.282 31 F HA 0.779 5.307 4.527 0.001 0.000 0.289 31 F C -0.910 174.946 175.800 0.093 0.000 0.959 31 F CA -1.560 56.502 58.000 0.102 0.000 1.129 31 F CB 0.260 39.297 39.000 0.061 0.000 1.864 31 F HN 0.123 nan 8.300 nan 0.000 0.569 32 L N -0.108 121.376 121.223 0.435 0.000 2.455 32 L HA 0.610 4.950 4.340 0.001 0.000 0.264 32 L C -1.453 175.599 176.870 0.304 0.000 0.968 32 L CA -0.515 54.480 54.840 0.260 0.000 0.827 32 L CB 2.129 44.284 42.059 0.160 0.000 1.317 32 L HN 0.786 nan 8.230 nan 0.000 0.407 33 E N 2.448 122.781 120.200 0.221 0.000 2.352 33 E HA 0.367 4.717 4.350 0.001 0.000 0.280 33 E C -0.907 175.757 176.600 0.106 0.000 0.930 33 E CA -0.362 56.140 56.400 0.169 0.000 0.765 33 E CB 1.834 31.664 29.700 0.216 0.000 1.219 33 E HN 0.808 nan 8.360 nan 0.000 0.434 34 D N 0.808 121.254 120.400 0.077 0.000 2.921 34 D HA -0.241 4.400 4.640 0.001 0.000 0.202 34 D C 0.639 176.971 176.300 0.054 0.000 1.082 34 D CA 2.122 56.156 54.000 0.057 0.000 1.014 34 D CB -0.828 40.004 40.800 0.052 0.000 1.120 34 D HN 0.854 nan 8.370 nan 0.000 0.416 35 G N -0.658 108.179 108.800 0.062 0.000 2.145 35 G HA2 -0.225 3.735 3.960 0.001 0.000 0.176 35 G HA3 -0.225 3.735 3.960 0.001 0.000 0.176 35 G C -0.179 174.757 174.900 0.060 0.000 1.013 35 G CA 0.055 45.189 45.100 0.056 0.000 0.689 35 G HN 0.415 nan 8.290 nan 0.000 0.506 36 K N -0.114 120.328 120.400 0.071 0.000 2.468 36 K HA 0.567 4.887 4.320 0.001 0.000 0.252 36 K C -0.057 176.584 176.600 0.067 0.000 0.932 36 K CA -1.000 55.330 56.287 0.072 0.000 0.794 36 K CB 3.051 35.595 32.500 0.073 0.000 1.241 36 K HN 0.050 nan 8.250 nan 0.000 0.428 37 V N 3.843 123.798 119.914 0.068 0.000 2.415 37 V HA 0.092 4.213 4.120 0.001 0.000 0.267 37 V C 0.171 176.265 176.094 0.001 0.000 1.042 37 V CA 0.003 62.335 62.300 0.053 0.000 1.000 37 V CB -0.303 31.575 31.823 0.092 0.000 1.015 37 V HN 0.609 nan 8.190 nan 0.000 0.478 38 K N 3.340 123.631 120.400 -0.182 0.000 2.211 38 K HA 0.838 5.159 4.320 0.001 0.000 0.237 38 K C -1.069 175.168 176.600 -0.605 0.000 1.002 38 K CA -0.861 55.198 56.287 -0.380 0.000 0.885 38 K CB 2.603 34.814 32.500 -0.481 0.000 1.136 38 K HN 0.390 nan 8.250 nan 0.000 0.448 39 V N 0.387 119.971 119.914 -0.551 0.000 2.733 39 V HA 0.197 4.318 4.120 0.001 0.000 0.306 39 V C -1.084 174.724 176.094 -0.476 0.000 1.084 39 V CA -0.499 61.426 62.300 -0.625 0.000 0.905 39 V CB 2.086 33.519 31.823 -0.649 0.000 1.010 39 V HN 0.818 nan 8.190 nan 0.000 0.424 40 S N 7.106 122.599 115.700 -0.345 0.000 2.499 40 S HA 0.637 5.107 4.470 0.001 0.000 0.275 40 S C -0.221 174.182 174.600 -0.329 0.000 1.257 40 S CA -0.391 57.724 58.200 -0.143 0.000 1.050 40 S CB 0.058 63.318 63.200 0.099 0.000 0.937 40 S HN 0.761 nan 8.310 nan 0.000 0.490 41 R N 3.736 124.056 120.500 -0.299 0.000 2.837 41 R HA 0.354 4.694 4.340 0.001 0.000 0.271 41 R C -1.944 174.246 176.300 -0.184 0.000 0.993 41 R CA -2.106 53.748 56.100 -0.409 0.000 0.931 41 R CB 0.878 30.890 30.300 -0.481 0.000 1.206 41 R HN 0.331 nan 8.270 nan 0.000 0.474 42 P HA -0.228 nan 4.420 nan 0.000 0.215 42 P C 1.359 178.621 177.300 -0.063 0.000 1.157 42 P CA 2.011 65.079 63.100 -0.054 0.000 0.874 42 P CB 0.227 31.913 31.700 -0.024 0.000 0.790 43 E N -0.150 119.995 120.200 -0.091 0.000 2.085 43 E HA 0.099 4.450 4.350 0.001 0.000 0.194 43 E C 1.317 177.879 176.600 -0.063 0.000 0.994 43 E CA 1.698 58.057 56.400 -0.070 0.000 0.801 43 E CB -1.053 28.603 29.700 -0.074 0.000 0.743 43 E HN 0.454 nan 8.360 nan 0.000 0.453 44 G N -2.704 106.046 108.800 -0.083 0.000 2.441 44 G HA2 0.337 4.298 3.960 0.001 0.000 0.222 44 G HA3 0.337 4.298 3.960 0.001 0.000 0.222 44 G C -1.352 173.500 174.900 -0.080 0.000 1.254 44 G CA -0.096 44.966 45.100 -0.062 0.000 0.959 44 G HN 0.720 nan 8.290 nan 0.000 0.474 45 V N 2.240 122.123 119.914 -0.052 0.000 2.357 45 V HA 0.618 4.739 4.120 0.001 0.000 0.284 45 V C -0.453 175.595 176.094 -0.077 0.000 1.018 45 V CA -0.730 61.538 62.300 -0.053 0.000 0.841 45 V CB 1.369 33.223 31.823 0.053 0.000 0.991 45 V HN 0.613 nan 8.190 nan 0.000 0.437 46 K N 4.419 124.751 120.400 -0.112 0.000 2.258 46 K HA 0.701 5.022 4.320 0.001 0.000 0.236 46 K C -0.860 175.708 176.600 -0.053 0.000 1.008 46 K CA -0.827 55.415 56.287 -0.076 0.000 0.869 46 K CB 2.702 35.201 32.500 -0.003 0.000 1.171 46 K HN 0.430 nan 8.250 nan 0.000 0.447 47 I N 2.003 122.562 120.570 -0.018 0.000 2.378 47 I HA 0.341 4.512 4.170 0.001 0.000 0.291 47 I C -0.112 176.212 176.117 0.344 0.000 0.992 47 I CA -0.611 60.734 61.300 0.076 0.000 1.154 47 I CB 1.006 38.987 38.000 -0.031 0.000 1.315 47 I HN 0.274 nan 8.210 nan 0.000 0.448 48 I N 8.416 129.177 120.570 0.319 0.000 2.304 48 I HA 0.367 4.538 4.170 0.001 0.000 0.291 48 I C -2.199 174.096 176.117 0.297 0.000 1.018 48 I CA -1.708 59.841 61.300 0.414 0.000 1.260 48 I CB 0.720 38.996 38.000 0.459 0.000 1.390 48 I HN 0.311 nan 8.210 nan 0.000 0.475 49 P HA 0.446 nan 4.420 nan 0.000 0.283 49 P C -2.663 174.608 177.300 -0.048 0.000 1.271 49 P CA -2.031 61.112 63.100 0.072 0.000 0.841 49 P CB 0.516 32.203 31.700 -0.021 0.000 1.122 50 P HA 0.027 nan 4.420 nan 0.000 0.274 50 P C 0.910 178.082 177.300 -0.212 0.000 1.264 50 P CA 0.077 63.116 63.100 -0.102 0.000 0.795 50 P CB 0.596 32.250 31.700 -0.077 0.000 1.064 51 Q N 0.877 120.564 119.800 -0.188 0.000 2.084 51 Q HA -0.164 4.177 4.340 0.001 0.000 0.202 51 Q C 2.190 178.052 176.000 -0.229 0.000 0.978 51 Q CA 2.651 58.311 55.803 -0.239 0.000 0.844 51 Q CB -1.046 27.596 28.738 -0.160 0.000 0.898 51 Q HN 0.550 nan 8.270 nan 0.000 0.426 52 S N -0.386 115.217 115.700 -0.161 0.000 2.400 52 S HA -0.149 4.322 4.470 0.001 0.000 0.232 52 S C 1.221 175.731 174.600 -0.150 0.000 1.025 52 S CA 1.437 59.558 58.200 -0.132 0.000 0.993 52 S CB -0.196 62.949 63.200 -0.091 0.000 0.808 52 S HN 0.355 nan 8.310 nan 0.000 0.478 53 D N 0.720 121.010 120.400 -0.184 0.000 2.360 53 D HA 0.219 4.860 4.640 0.001 0.000 0.210 53 D C 1.975 178.108 176.300 -0.279 0.000 1.047 53 D CA 0.090 53.980 54.000 -0.183 0.000 0.854 53 D CB 0.091 40.811 40.800 -0.133 0.000 0.936 53 D HN 0.425 nan 8.370 nan 0.000 0.514 54 R N 0.381 120.630 120.500 -0.418 0.000 2.051 54 R HA -0.018 4.322 4.340 0.001 0.000 0.225 54 R C 2.203 178.312 176.300 -0.319 0.000 1.155 54 R CA 0.700 56.428 56.100 -0.619 0.000 0.945 54 R CB -0.229 29.425 30.300 -1.077 0.000 0.840 54 R HN 0.076 nan 8.270 nan 0.000 0.432 55 Q N 1.306 120.961 119.800 -0.242 0.000 2.156 55 Q HA -0.289 4.051 4.340 0.001 0.000 0.211 55 Q C 2.039 177.984 176.000 -0.091 0.000 0.995 55 Q CA 1.885 57.609 55.803 -0.132 0.000 0.877 55 Q CB -0.039 28.631 28.738 -0.113 0.000 0.920 55 Q HN 0.200 nan 8.270 nan 0.000 0.416 56 K N 0.075 120.413 120.400 -0.102 0.000 2.026 56 K HA -0.138 4.183 4.320 0.001 0.000 0.208 56 K C 2.192 178.759 176.600 -0.055 0.000 1.048 56 K CA 1.284 57.530 56.287 -0.068 0.000 0.929 56 K CB -0.189 32.271 32.500 -0.067 0.000 0.713 56 K HN 0.251 nan 8.250 nan 0.000 0.439 57 I N 0.870 121.387 120.570 -0.088 0.000 2.163 57 I HA -0.305 3.865 4.170 0.001 0.000 0.243 57 I C 2.253 178.368 176.117 -0.003 0.000 1.085 57 I CA 1.049 62.303 61.300 -0.077 0.000 1.347 57 I CB -0.203 37.668 38.000 -0.216 0.000 1.044 57 I HN -0.000 nan 8.210 nan 0.000 0.408 58 V N 0.632 120.568 119.914 0.037 0.000 2.282 58 V HA -0.319 3.802 4.120 0.001 0.000 0.249 58 V C 2.394 178.516 176.094 0.045 0.000 1.057 58 V CA 1.875 64.216 62.300 0.068 0.000 1.032 58 V CB -0.688 31.180 31.823 0.076 0.000 0.645 58 V HN 0.344 nan 8.190 nan 0.000 0.447 59 L N -0.229 121.006 121.223 0.020 0.000 1.970 59 L HA -0.222 4.119 4.340 0.001 0.000 0.212 59 L C 2.581 179.472 176.870 0.035 0.000 1.071 59 L CA 2.029 56.889 54.840 0.032 0.000 0.751 59 L CB -0.916 41.148 42.059 0.008 0.000 0.889 59 L HN 0.338 nan 8.230 nan 0.000 0.432 60 Q N -0.961 118.847 119.800 0.012 0.000 2.082 60 Q HA -0.334 4.007 4.340 0.001 0.000 0.211 60 Q C 2.137 178.137 176.000 0.000 0.000 1.002 60 Q CA 2.314 58.119 55.803 0.004 0.000 0.868 60 Q CB -0.469 28.277 28.738 0.013 0.000 0.931 60 Q HN 0.720 nan 8.270 nan 0.000 0.414 61 A N 0.212 123.046 122.820 0.023 0.000 1.845 61 A HA -0.260 4.060 4.320 0.001 0.000 0.215 61 A C 1.785 179.368 177.584 -0.001 0.000 1.195 61 A CA 1.968 54.018 52.037 0.022 0.000 0.616 61 A CB -1.043 17.982 19.000 0.042 0.000 0.832 61 A HN 0.573 nan 8.150 nan 0.000 0.443 62 H N 0.261 119.292 119.070 -0.065 0.000 2.319 62 H HA -0.143 4.414 4.556 0.001 0.000 0.299 62 H C 1.781 176.986 175.328 -0.205 0.000 1.092 62 H CA 2.190 58.182 56.048 -0.093 0.000 1.302 62 H CB -0.280 29.442 29.762 -0.067 0.000 1.373 62 H HN 0.414 nan 8.280 nan 0.000 0.497 63 N N 0.104 118.645 118.700 -0.266 0.000 2.503 63 N HA -0.120 4.620 4.740 0.001 0.000 0.189 63 N C 1.767 177.024 175.510 -0.423 0.000 1.048 63 N CA 0.860 53.613 53.050 -0.494 0.000 0.905 63 N CB -0.232 38.131 38.487 -0.206 0.000 0.951 63 N HN 0.449 nan 8.380 nan 0.000 0.446 64 L N -0.999 120.066 121.223 -0.264 0.000 2.056 64 L HA -0.067 4.273 4.340 0.001 0.000 0.207 64 L C 1.208 177.987 176.870 -0.152 0.000 1.078 64 L CA 1.313 56.060 54.840 -0.154 0.000 0.749 64 L CB -0.136 41.868 42.059 -0.091 0.000 0.901 64 L HN 0.147 nan 8.230 nan 0.000 0.433 65 A N -3.208 119.487 122.820 -0.209 0.000 2.569 65 A HA 0.177 4.498 4.320 0.001 0.000 0.284 65 A C -0.095 177.408 177.584 -0.135 0.000 0.948 65 A CA -0.446 51.517 52.037 -0.123 0.000 1.007 65 A CB -0.172 18.789 19.000 -0.064 0.000 1.232 65 A HN 0.406 nan 8.150 nan 0.000 0.530 66 H N 1.746 120.568 119.070 -0.413 0.000 2.496 66 H HA -0.150 4.406 4.556 0.001 0.000 0.323 66 H C 0.341 175.457 175.328 -0.352 0.000 1.054 66 H CA 1.428 57.069 56.048 -0.679 0.000 1.095 66 H CB -1.741 27.890 29.762 -0.218 0.000 1.595 66 H HN 0.731 nan 8.280 nan 0.000 0.388 67 T N -1.814 112.566 114.554 -0.290 0.000 2.882 67 T HA 0.527 4.877 4.350 0.001 0.000 0.287 67 T C 1.357 176.149 174.700 0.154 0.000 1.014 67 T CA -0.342 61.749 62.100 -0.015 0.000 1.049 67 T CB 2.406 71.257 68.868 -0.029 0.000 1.001 67 T HN 0.419 nan 8.240 nan 0.000 0.525 68 G N -0.067 108.800 108.800 0.111 0.000 2.516 68 G HA2 0.220 4.181 3.960 0.001 0.000 0.276 68 G HA3 0.220 4.181 3.960 0.001 0.000 0.276 68 G C 0.842 175.790 174.900 0.080 0.000 1.390 68 G CA -0.696 44.472 45.100 0.113 0.000 1.050 68 G HN 0.801 nan 8.290 nan 0.000 0.519 69 R N -0.693 119.834 120.500 0.044 0.000 2.080 69 R HA -0.092 4.249 4.340 0.001 0.000 0.236 69 R C 2.346 178.643 176.300 -0.006 0.000 1.137 69 R CA 1.737 57.835 56.100 -0.003 0.000 0.943 69 R CB -0.254 30.032 30.300 -0.024 0.000 0.846 69 R HN 0.560 nan 8.270 nan 0.000 0.431 70 E N 0.300 120.501 120.200 0.001 0.000 2.015 70 E HA -0.112 4.239 4.350 0.001 0.000 0.191 70 E C 1.932 178.529 176.600 -0.005 0.000 0.991 70 E CA 1.260 57.655 56.400 -0.008 0.000 0.802 70 E CB -0.548 29.151 29.700 -0.003 0.000 0.759 70 E HN 0.410 nan 8.360 nan 0.000 0.447 71 A N 0.858 123.682 122.820 0.007 0.000 2.032 71 A HA -0.195 4.125 4.320 0.001 0.000 0.221 71 A C 2.370 179.958 177.584 0.006 0.000 1.165 71 A CA 2.208 54.248 52.037 0.006 0.000 0.645 71 A CB -0.815 18.192 19.000 0.010 0.000 0.807 71 A HN 0.264 nan 8.150 nan 0.000 0.453 72 T N -0.506 114.060 114.554 0.020 0.000 2.851 72 T HA -0.014 4.336 4.350 0.001 0.000 0.262 72 T C 1.829 176.526 174.700 -0.005 0.000 1.043 72 T CA 1.138 63.255 62.100 0.030 0.000 1.140 72 T CB -0.283 68.636 68.868 0.085 0.000 0.872 72 T HN 0.380 nan 8.240 nan 0.000 0.446 73 L N 1.351 122.556 121.223 -0.031 0.000 2.017 73 L HA 0.003 4.343 4.340 0.001 0.000 0.208 73 L C 2.137 178.969 176.870 -0.063 0.000 1.073 73 L CA 1.634 56.429 54.840 -0.076 0.000 0.745 73 L CB -0.592 41.413 42.059 -0.091 0.000 0.894 73 L HN 0.214 nan 8.230 nan 0.000 0.432 74 L N -0.659 120.541 121.223 -0.037 0.000 2.079 74 L HA -0.211 4.130 4.340 0.001 0.000 0.210 74 L C 2.676 179.537 176.870 -0.015 0.000 1.081 74 L CA 1.121 55.945 54.840 -0.027 0.000 0.752 74 L CB -0.968 41.080 42.059 -0.018 0.000 0.896 74 L HN 0.265 nan 8.230 nan 0.000 0.433 75 K N 0.637 121.032 120.400 -0.007 0.000 2.103 75 K HA -0.120 4.201 4.320 0.001 0.000 0.207 75 K C 2.010 178.631 176.600 0.036 0.000 1.048 75 K CA 1.456 57.749 56.287 0.010 0.000 0.930 75 K CB -0.250 32.255 32.500 0.010 0.000 0.716 75 K HN 0.380 nan 8.250 nan 0.000 0.444 76 I N 0.461 121.045 120.570 0.023 0.000 2.500 76 I HA -0.146 4.025 4.170 0.001 0.000 0.252 76 I C 2.424 178.571 176.117 0.050 0.000 1.142 76 I CA 0.726 62.066 61.300 0.068 0.000 1.451 76 I CB -0.428 37.539 38.000 -0.056 0.000 1.093 76 I HN -0.041 nan 8.210 nan 0.000 0.430 77 A N 1.602 124.406 122.820 -0.028 0.000 1.958 77 A HA -0.270 4.051 4.320 0.001 0.000 0.221 77 A C 2.045 179.622 177.584 -0.011 0.000 1.178 77 A CA 2.147 54.167 52.037 -0.029 0.000 0.642 77 A CB -0.832 18.147 19.000 -0.035 0.000 0.816 77 A HN 0.447 nan 8.150 nan 0.000 0.453 78 N N -0.733 117.963 118.700 -0.006 0.000 2.258 78 N HA -0.126 4.614 4.740 0.001 0.000 0.187 78 N C 1.306 176.775 175.510 -0.068 0.000 1.012 78 N CA 1.608 54.643 53.050 -0.024 0.000 0.870 78 N CB -0.239 38.242 38.487 -0.011 0.000 0.977 78 N HN 0.588 nan 8.380 nan 0.000 0.434 79 L N -2.873 118.289 121.223 -0.102 0.000 2.953 79 L HA 0.222 4.562 4.340 0.001 0.000 0.258 79 L C -0.576 176.022 176.870 -0.453 0.000 1.100 79 L CA -0.010 54.620 54.840 -0.349 0.000 0.971 79 L CB 0.536 42.243 42.059 -0.587 0.000 1.474 79 L HN -0.072 nan 8.230 nan 0.000 0.540 80 Y N -1.837 118.472 120.300 0.015 0.000 2.524 80 Y HA 0.438 4.988 4.550 0.001 0.000 0.344 80 Y C -0.990 174.921 175.900 0.018 0.000 1.012 80 Y CA -0.997 57.134 58.100 0.051 0.000 1.068 80 Y CB 1.703 40.219 38.460 0.094 0.000 1.249 80 Y HN -0.101 nan 8.280 nan 0.000 0.468 81 W N 3.688 125.029 121.300 0.069 0.000 3.022 81 W HA 0.616 5.276 4.660 0.001 0.000 0.335 81 W C -2.189 174.397 176.519 0.112 0.000 1.133 81 W CA -1.147 56.149 57.345 -0.083 0.000 1.219 81 W CB 1.343 30.726 29.460 -0.128 0.000 1.409 81 W HN 0.637 nan 8.180 nan 0.000 0.507 82 W N 4.709 125.340 121.300 -1.115 0.000 2.988 82 W HA 0.748 5.409 4.660 0.001 0.000 0.355 82 W C -2.920 172.497 176.519 -1.836 0.000 1.233 82 W CA -2.645 53.915 57.345 -1.308 0.000 1.176 82 W CB -0.087 29.078 29.460 -0.492 0.000 1.477 82 W HN 0.210 nan 8.180 nan 0.000 0.582 83 P HA 0.057 nan 4.420 nan 0.000 0.271 83 P C -0.574 176.563 177.300 -0.272 0.000 1.233 83 P CA 0.245 62.970 63.100 -0.624 0.000 0.764 83 P CB 0.479 31.891 31.700 -0.481 0.000 0.825 84 N N 2.507 121.045 118.700 -0.270 0.000 2.642 84 N HA -0.185 4.556 4.740 0.001 0.000 0.269 84 N C 0.881 176.300 175.510 -0.152 0.000 1.073 84 N CA 0.627 53.581 53.050 -0.160 0.000 0.748 84 N CB -1.729 36.718 38.487 -0.067 0.000 0.894 84 N HN 0.548 nan 8.380 nan 0.000 0.548 85 M N 0.196 119.563 119.600 -0.389 0.000 2.117 85 M HA -0.119 4.361 4.480 0.001 0.000 0.262 85 M C 2.119 178.319 176.300 -0.165 0.000 1.065 85 M CA 1.595 56.613 55.300 -0.470 0.000 1.114 85 M CB -0.121 31.886 32.600 -0.990 0.000 1.361 85 M HN 0.296 nan 8.290 nan 0.000 0.408 86 R N 0.792 121.189 120.500 -0.171 0.000 2.117 86 R HA -0.182 4.159 4.340 0.001 0.000 0.243 86 R C 2.639 178.894 176.300 -0.076 0.000 1.143 86 R CA 2.046 58.080 56.100 -0.110 0.000 0.968 86 R CB -0.909 29.333 30.300 -0.096 0.000 0.863 86 R HN 0.453 nan 8.270 nan 0.000 0.444 87 K N 1.449 121.817 120.400 -0.053 0.000 2.074 87 K HA -0.212 4.109 4.320 0.001 0.000 0.209 87 K C 1.623 178.209 176.600 -0.024 0.000 1.048 87 K CA 2.112 58.377 56.287 -0.036 0.000 0.926 87 K CB -0.748 31.740 32.500 -0.021 0.000 0.713 87 K HN 0.269 nan 8.250 nan 0.000 0.444 88 D N -0.081 120.339 120.400 0.032 0.000 2.183 88 D HA -0.050 4.591 4.640 0.001 0.000 0.203 88 D C 1.967 178.267 176.300 0.001 0.000 0.969 88 D CA 1.370 55.399 54.000 0.049 0.000 0.842 88 D CB 0.202 41.122 40.800 0.200 0.000 0.957 88 D HN 0.237 nan 8.370 nan 0.000 0.484 89 V N 1.523 121.425 119.914 -0.020 0.000 2.379 89 V HA -0.187 3.933 4.120 0.001 0.000 0.245 89 V C 2.814 178.816 176.094 -0.153 0.000 1.044 89 V CA 1.382 63.641 62.300 -0.069 0.000 1.036 89 V CB -0.480 31.301 31.823 -0.071 0.000 0.664 89 V HN 0.119 nan 8.190 nan 0.000 0.453 90 V N -0.336 119.466 119.914 -0.187 0.000 2.343 90 V HA -0.176 3.945 4.120 0.001 0.000 0.247 90 V C 2.705 178.621 176.094 -0.295 0.000 1.051 90 V CA 2.349 64.446 62.300 -0.339 0.000 1.036 90 V CB -1.739 29.900 31.823 -0.306 0.000 0.654 90 V HN 0.513 nan 8.190 nan 0.000 0.451 91 K N -0.346 119.959 120.400 -0.159 0.000 2.089 91 K HA -0.267 4.054 4.320 0.001 0.000 0.210 91 K C 2.112 178.649 176.600 -0.106 0.000 1.048 91 K CA 2.232 58.457 56.287 -0.103 0.000 0.926 91 K CB -1.057 31.402 32.500 -0.069 0.000 0.714 91 K HN 0.614 nan 8.250 nan 0.000 0.448 92 Q N -0.292 119.429 119.800 -0.131 0.000 2.172 92 Q HA 0.133 4.473 4.340 0.001 0.000 0.200 92 Q C 2.239 178.121 176.000 -0.197 0.000 0.964 92 Q CA 1.084 56.800 55.803 -0.145 0.000 0.855 92 Q CB 0.001 28.651 28.738 -0.146 0.000 0.918 92 Q HN 0.677 nan 8.270 nan 0.000 0.444 93 L N -0.930 120.152 121.223 -0.235 0.000 2.291 93 L HA -0.011 4.329 4.340 0.001 0.000 0.214 93 L C 2.096 179.019 176.870 0.088 0.000 1.120 93 L CA 0.979 55.720 54.840 -0.166 0.000 0.799 93 L CB -0.631 41.321 42.059 -0.177 0.000 0.925 93 L HN 0.193 nan 8.230 nan 0.000 0.446 94 G N -0.301 108.550 108.800 0.086 0.000 2.484 94 G HA2 -0.131 3.829 3.960 0.001 0.000 0.218 94 G HA3 -0.131 3.829 3.960 0.001 0.000 0.218 94 G C 1.826 176.748 174.900 0.036 0.000 1.130 94 G CA 0.021 45.206 45.100 0.142 0.000 0.784 94 G HN 0.251 nan 8.290 nan 0.000 0.543 95 R N -1.059 119.437 120.500 -0.006 0.000 2.206 95 R HA 0.105 4.445 4.340 0.001 0.000 0.198 95 R C 0.599 176.897 176.300 -0.004 0.000 0.986 95 R CA -0.192 55.901 56.100 -0.011 0.000 1.029 95 R CB -0.231 30.054 30.300 -0.025 0.000 0.966 95 R HN 0.276 nan 8.270 nan 0.000 0.487 96 C N 2.490 121.781 119.300 -0.015 0.000 2.657 96 C HA 0.025 4.485 4.460 0.001 0.000 0.404 96 C C 1.879 176.895 174.990 0.043 0.000 1.369 96 C CA -0.267 58.773 59.018 0.036 0.000 1.665 96 C CB 0.297 28.073 27.740 0.060 0.000 2.453 96 C HN 0.436 nan 8.230 nan 0.000 0.599 97 Q N 3.136 122.959 119.800 0.038 0.000 2.079 97 Q HA -0.154 4.187 4.340 0.001 0.000 0.200 97 Q C 2.050 178.050 176.000 -0.000 0.000 0.974 97 Q CA 2.221 58.033 55.803 0.016 0.000 0.840 97 Q CB -0.018 28.729 28.738 0.015 0.000 0.898 97 Q HN 0.913 nan 8.270 nan 0.000 0.430 98 Q N -1.271 118.514 119.800 -0.024 0.000 2.119 98 Q HA -0.065 4.275 4.340 0.001 0.000 0.201 98 Q C 2.314 178.273 176.000 -0.068 0.000 0.972 98 Q CA 1.522 57.269 55.803 -0.092 0.000 0.847 98 Q CB -0.441 28.146 28.738 -0.250 0.000 0.903 98 Q HN 0.387 nan 8.270 nan 0.000 0.433 99 C N -0.002 119.294 119.300 -0.005 0.000 2.446 99 C HA -0.057 4.404 4.460 0.001 0.000 0.277 99 C C 2.386 177.387 174.990 0.018 0.000 1.275 99 C CA 0.498 59.550 59.018 0.057 0.000 1.727 99 C CB -0.920 26.939 27.740 0.199 0.000 2.010 99 C HN 0.510 nan 8.230 nan 0.000 0.486 100 L N 1.081 122.302 121.223 -0.004 0.000 2.131 100 L HA -0.106 4.234 4.340 0.001 0.000 0.210 100 L C 2.207 179.044 176.870 -0.055 0.000 1.092 100 L CA 1.561 56.364 54.840 -0.062 0.000 0.759 100 L CB -0.511 41.513 42.059 -0.058 0.000 0.903 100 L HN 0.530 nan 8.230 nan 0.000 0.435 101 I N -4.669 115.907 120.570 0.010 0.000 3.883 101 I HA 0.039 4.209 4.170 0.001 0.000 0.326 101 I C 1.332 177.554 176.117 0.174 0.000 1.283 101 I CA 0.459 61.810 61.300 0.086 0.000 1.161 101 I CB 0.080 38.105 38.000 0.042 0.000 1.012 101 I HN -0.011 nan 8.210 nan 0.000 0.421 102 T N -1.160 113.469 114.554 0.126 0.000 3.075 102 T HA 0.223 4.574 4.350 0.001 0.000 0.251 102 T C 0.647 175.455 174.700 0.180 0.000 0.979 102 T CA -0.297 61.891 62.100 0.147 0.000 1.033 102 T CB -0.298 68.592 68.868 0.036 0.000 1.104 102 T HN 0.138 nan 8.240 nan 0.000 0.473 103 N N 2.760 121.518 118.700 0.097 0.000 2.412 103 N HA 0.411 5.151 4.740 0.001 0.000 0.258 103 N C 0.246 175.817 175.510 0.103 0.000 1.236 103 N CA 0.087 53.180 53.050 0.072 0.000 0.882 103 N CB 0.548 39.048 38.487 0.021 0.000 1.066 103 N HN 0.540 nan 8.380 nan 0.000 0.465 104 A N 1.791 124.705 122.820 0.157 0.000 2.281 104 A HA 0.327 4.647 4.320 0.001 0.000 0.271 104 A C 0.710 178.302 177.584 0.012 0.000 1.196 104 A CA -0.186 51.988 52.037 0.228 0.000 0.807 104 A CB 0.157 19.288 19.000 0.219 0.000 1.138 104 A HN 0.551 nan 8.150 nan 0.000 0.506 105 S N -0.702 115.000 115.700 0.003 0.000 2.593 105 S HA 0.407 4.877 4.470 0.001 0.000 0.297 105 S C 0.332 174.916 174.600 -0.026 0.000 1.112 105 S CA -0.360 57.771 58.200 -0.115 0.000 1.043 105 S CB 0.453 63.518 63.200 -0.225 0.000 1.054 105 S HN 0.787 nan 8.310 nan 0.000 0.516 106 N N 2.164 120.834 118.700 -0.049 0.000 2.275 106 N HA 0.147 4.887 4.740 0.001 0.000 0.236 106 N C -1.080 174.436 175.510 0.010 0.000 1.154 106 N CA -0.430 52.618 53.050 -0.003 0.000 0.866 106 N CB 0.226 38.712 38.487 -0.002 0.000 1.093 106 N HN 0.326 nan 8.380 nan 0.000 0.515 107 K N 0.864 121.263 120.400 -0.002 0.000 2.323 107 K HA 0.584 4.905 4.320 0.001 0.000 0.259 107 K C -0.516 176.208 176.600 0.207 0.000 0.947 107 K CA -0.579 55.754 56.287 0.076 0.000 0.819 107 K CB 2.585 35.076 32.500 -0.016 0.000 1.109 107 K HN 0.153 nan 8.250 nan 0.000 0.429 108 A N 2.080 125.044 122.820 0.240 0.000 2.286 108 A HA 0.450 4.771 4.320 0.001 0.000 0.286 108 A C 0.156 177.913 177.584 0.289 0.000 1.097 108 A CA -0.378 51.799 52.037 0.234 0.000 0.821 108 A CB 0.432 19.516 19.000 0.139 0.000 1.076 108 A HN 0.680 nan 8.150 nan 0.000 0.490 109 S N -0.023 115.801 115.700 0.206 0.000 2.569 109 S HA 0.365 4.836 4.470 0.001 0.000 0.274 109 S C 1.057 175.603 174.600 -0.090 0.000 1.353 109 S CA 0.147 58.358 58.200 0.019 0.000 1.023 109 S CB 0.448 63.684 63.200 0.061 0.000 0.876 109 S HN 1.153 nan 8.310 nan 0.000 0.540 110 G N 1.852 110.500 108.800 -0.252 0.000 2.664 110 G HA2 0.343 4.303 3.960 0.001 0.000 0.242 110 G HA3 0.343 4.303 3.960 0.001 0.000 0.242 110 G C -2.534 172.319 174.900 -0.077 0.000 1.225 110 G CA -0.966 44.032 45.100 -0.170 0.000 0.849 110 G HN 0.462 nan 8.290 nan 0.000 0.581 111 P HA 0.177 nan 4.420 nan 0.000 0.271 111 P C 0.524 177.816 177.300 -0.014 0.000 1.218 111 P CA -0.227 62.863 63.100 -0.017 0.000 0.780 111 P CB 0.756 32.450 31.700 -0.010 0.000 0.901 112 I N -0.197 120.376 120.570 0.005 0.000 2.892 112 I HA 0.140 4.310 4.170 0.001 0.000 0.287 112 I C -0.007 176.116 176.117 0.011 0.000 1.205 112 I CA -0.335 60.975 61.300 0.017 0.000 1.409 112 I CB -0.373 37.645 38.000 0.030 0.000 1.367 112 I HN 0.103 nan 8.210 nan 0.000 0.597 113 L N 4.753 125.987 121.223 0.018 0.000 2.334 113 L HA 0.505 4.846 4.340 0.001 0.000 0.277 113 L C 0.195 177.083 176.870 0.031 0.000 1.075 113 L CA -0.687 54.166 54.840 0.023 0.000 0.804 113 L CB 0.588 42.663 42.059 0.026 0.000 1.174 113 L HN 0.530 nan 8.230 nan 0.000 0.438 114 R N 2.192 122.716 120.500 0.040 0.000 2.423 114 R HA 0.361 4.702 4.340 0.001 0.000 0.293 114 R C -2.442 173.948 176.300 0.151 0.000 1.196 114 R CA -2.177 53.949 56.100 0.044 0.000 1.262 114 R CB 0.178 30.455 30.300 -0.039 0.000 1.116 114 R HN 0.304 nan 8.270 nan 0.000 0.566 115 P HA -0.081 nan 4.420 nan 0.000 0.263 115 P C -0.681 176.732 177.300 0.188 0.000 1.175 115 P CA 0.257 63.436 63.100 0.132 0.000 0.761 115 P CB 0.500 32.272 31.700 0.119 0.000 0.794 116 D N 1.441 121.878 120.400 0.062 0.000 2.525 116 D HA -0.012 4.629 4.640 0.001 0.000 0.235 116 D C 0.737 177.042 176.300 0.009 0.000 1.137 116 D CA 0.159 54.089 54.000 -0.117 0.000 0.868 116 D CB 0.254 40.977 40.800 -0.127 0.000 1.180 116 D HN 0.241 nan 8.370 nan 0.000 0.465 117 R N 2.787 123.279 120.500 -0.013 0.000 2.585 117 R HA 0.071 4.412 4.340 0.001 0.000 0.275 117 R C -2.179 174.149 176.300 0.047 0.000 1.018 117 R CA -1.206 54.950 56.100 0.092 0.000 1.072 117 R CB 0.191 30.556 30.300 0.107 0.000 0.953 117 R HN 0.219 nan 8.270 nan 0.000 0.419 118 P HA -0.092 nan 4.420 nan 0.000 0.266 118 P C 0.004 177.324 177.300 0.033 0.000 1.186 118 P CA 0.103 63.240 63.100 0.063 0.000 0.767 118 P CB 0.606 32.362 31.700 0.092 0.000 0.820 119 Q N 1.360 121.168 119.800 0.015 0.000 1.994 119 Q HA -0.077 4.264 4.340 0.001 0.000 0.198 119 Q C 0.148 176.153 176.000 0.008 0.000 0.976 119 Q CA 1.527 57.331 55.803 0.001 0.000 0.828 119 Q CB 0.036 28.769 28.738 -0.007 0.000 0.894 119 Q HN 0.495 nan 8.270 nan 0.000 0.432 120 K N 0.518 120.929 120.400 0.019 0.000 2.208 120 K HA 0.367 4.688 4.320 0.001 0.000 0.247 120 K C -2.597 174.031 176.600 0.047 0.000 0.953 120 K CA -2.179 54.126 56.287 0.030 0.000 0.837 120 K CB 1.481 34.003 32.500 0.036 0.000 1.131 120 K HN -0.143 nan 8.250 nan 0.000 0.431 121 P HA 0.008 nan 4.420 nan 0.000 0.264 121 P C -0.771 176.611 177.300 0.137 0.000 1.193 121 P CA 0.469 63.551 63.100 -0.030 0.000 0.763 121 P CB 0.070 31.720 31.700 -0.083 0.000 0.810 122 F N -0.042 119.955 119.950 0.079 0.000 2.439 122 F HA -0.230 4.297 4.527 0.001 0.000 0.353 122 F C 1.204 176.927 175.800 -0.128 0.000 0.600 122 F CA 0.471 58.437 58.000 -0.057 0.000 1.636 122 F CB -1.952 36.977 39.000 -0.119 0.000 2.155 122 F HN 0.260 nan 8.300 nan 0.000 0.283 123 D N 0.657 121.100 120.400 0.072 0.000 2.077 123 D HA -0.023 4.617 4.640 0.001 0.000 0.196 123 D C 1.085 177.372 176.300 -0.022 0.000 0.986 123 D CA 1.517 55.526 54.000 0.016 0.000 0.829 123 D CB 0.065 40.880 40.800 0.025 0.000 0.983 123 D HN 0.315 nan 8.370 nan 0.000 0.453 124 K N -0.525 119.886 120.400 0.019 0.000 2.324 124 K HA 0.289 4.610 4.320 0.001 0.000 0.253 124 K C -1.438 175.261 176.600 0.165 0.000 0.932 124 K CA -0.588 55.681 56.287 -0.030 0.000 0.799 124 K CB 1.439 33.859 32.500 -0.134 0.000 1.154 124 K HN -0.227 nan 8.250 nan 0.000 0.425 125 F N 3.289 123.126 119.950 -0.188 0.000 2.458 125 F HA 0.454 4.982 4.527 0.001 0.000 0.336 125 F C -0.587 175.065 175.800 -0.247 0.000 1.114 125 F CA -1.112 56.829 58.000 -0.098 0.000 0.987 125 F CB 0.846 39.840 39.000 -0.010 0.000 1.130 125 F HN 0.354 nan 8.300 nan 0.000 0.458 126 F N 4.876 124.902 119.950 0.126 0.000 2.427 126 F HA 0.608 5.135 4.527 0.001 0.000 0.346 126 F C 0.208 175.994 175.800 -0.023 0.000 1.120 126 F CA -0.905 57.126 58.000 0.051 0.000 1.033 126 F CB 1.255 40.256 39.000 0.001 0.000 1.126 126 F HN 0.253 nan 8.300 nan 0.000 0.462 127 I N -0.279 120.363 120.570 0.120 0.000 2.785 127 I HA 0.878 5.049 4.170 0.001 0.000 0.302 127 I C -1.530 174.577 176.117 -0.018 0.000 1.069 127 I CA -0.714 60.555 61.300 -0.052 0.000 1.045 127 I CB 2.453 40.294 38.000 -0.265 0.000 1.236 127 I HN 0.440 nan 8.210 nan 0.000 0.429 128 D N 1.712 122.132 120.400 0.034 0.000 2.653 128 D HA 0.437 5.078 4.640 0.001 0.000 0.258 128 D C -2.078 174.292 176.300 0.117 0.000 1.252 128 D CA -0.365 53.748 54.000 0.189 0.000 0.777 128 D CB 1.756 42.655 40.800 0.166 0.000 1.339 128 D HN 0.569 nan 8.370 nan 0.000 0.422 129 Y N 0.861 121.309 120.300 0.246 0.000 2.335 129 Y HA 0.527 5.077 4.550 0.001 0.000 0.338 129 Y C 0.014 176.006 175.900 0.155 0.000 0.977 129 Y CA -0.812 57.402 58.100 0.190 0.000 1.114 129 Y CB 1.455 39.990 38.460 0.125 0.000 1.182 129 Y HN 0.223 nan 8.280 nan 0.000 0.463 130 I N 4.000 124.755 120.570 0.309 0.000 2.342 130 I HA 0.579 4.749 4.170 0.001 0.000 0.291 130 I C 0.508 176.691 176.117 0.110 0.000 1.010 130 I CA 0.314 61.696 61.300 0.136 0.000 1.308 130 I CB 0.634 38.644 38.000 0.017 0.000 1.400 130 I HN 0.859 nan 8.210 nan 0.000 0.488 131 G N 7.305 116.111 108.800 0.010 0.000 2.347 131 G HA2 0.006 3.966 3.960 0.001 0.000 0.341 131 G HA3 0.006 3.966 3.960 0.001 0.000 0.341 131 G C -3.115 171.665 174.900 -0.200 0.000 1.287 131 G CA -1.104 43.856 45.100 -0.232 0.000 0.984 131 G HN 0.413 nan 8.290 nan 0.000 0.526 132 P HA 0.459 nan 4.420 nan 0.000 0.269 132 P C 0.026 177.082 177.300 -0.407 0.000 1.209 132 P CA -0.024 62.625 63.100 -0.751 0.000 0.776 132 P CB 0.847 32.294 31.700 -0.422 0.000 0.876 133 L N 2.852 123.852 121.223 -0.372 0.000 2.341 133 L HA 0.486 4.826 4.340 0.001 0.000 0.267 133 L C -2.142 174.710 176.870 -0.031 0.000 1.022 133 L CA -2.535 52.152 54.840 -0.254 0.000 0.844 133 L CB 1.028 42.764 42.059 -0.539 0.000 1.436 133 L HN 0.152 nan 8.230 nan 0.000 0.483 134 P HA 0.139 nan 4.420 nan 0.000 0.271 134 P C -2.468 175.057 177.300 0.374 0.000 1.233 134 P CA -0.978 62.235 63.100 0.188 0.000 0.764 134 P CB -0.073 31.738 31.700 0.185 0.000 0.825 135 P HA -0.063 nan 4.420 nan 0.000 0.253 135 P C -0.184 177.180 177.300 0.108 0.000 1.170 135 P CA 0.943 64.144 63.100 0.169 0.000 0.806 135 P CB 0.049 31.794 31.700 0.075 0.000 0.775 136 S N 3.630 119.341 115.700 0.019 0.000 2.498 136 S HA 0.150 4.620 4.470 0.001 0.000 0.317 136 S C 0.098 174.555 174.600 -0.239 0.000 1.090 136 S CA -0.475 57.577 58.200 -0.247 0.000 1.089 136 S CB 0.208 62.944 63.200 -0.773 0.000 0.997 136 S HN 0.428 nan 8.310 nan 0.000 0.470 137 Q N 2.601 122.280 119.800 -0.201 0.000 2.411 137 Q HA -0.232 4.108 4.340 0.001 0.000 0.305 137 Q C 0.906 176.820 176.000 -0.142 0.000 1.273 137 Q CA 1.048 56.728 55.803 -0.205 0.000 0.895 137 Q CB -2.540 25.939 28.738 -0.432 0.000 1.198 137 Q HN 1.662 nan 8.270 nan 0.000 0.470 138 G N -1.019 107.711 108.800 -0.115 0.000 2.233 138 G HA2 -0.354 3.607 3.960 0.001 0.000 0.270 138 G HA3 -0.354 3.607 3.960 0.001 0.000 0.270 138 G C -0.243 174.515 174.900 -0.237 0.000 1.011 138 G CA 0.832 45.841 45.100 -0.152 0.000 0.762 138 G HN 0.488 nan 8.290 nan 0.000 0.511 139 Y N -1.658 118.613 120.300 -0.047 0.000 2.387 139 Y HA 0.657 5.208 4.550 0.001 0.000 0.330 139 Y C 1.340 177.434 175.900 0.324 0.000 1.133 139 Y CA -0.761 57.412 58.100 0.121 0.000 1.152 139 Y CB 1.614 40.132 38.460 0.095 0.000 1.215 139 Y HN -0.049 nan 8.280 nan 0.000 0.466 140 L N 1.251 122.812 121.223 0.563 0.000 3.076 140 L HA 0.293 4.633 4.340 0.001 0.000 0.271 140 L C -1.087 175.818 176.870 0.059 0.000 1.152 140 L CA -0.012 55.025 54.840 0.327 0.000 0.996 140 L CB 0.614 42.749 42.059 0.127 0.000 1.453 140 L HN 0.563 nan 8.230 nan 0.000 0.571 141 Y N -1.253 119.272 120.300 0.375 0.000 2.609 141 Y HA 0.635 5.186 4.550 0.000 0.000 0.342 141 Y C -0.420 175.689 175.900 0.349 0.000 1.058 141 Y CA -1.138 57.099 58.100 0.228 0.000 1.055 141 Y CB 2.175 40.696 38.460 0.101 0.000 1.292 141 Y HN -0.486 nan 8.280 nan 0.000 0.476 142 V N 2.584 122.757 119.914 0.431 0.000 2.588 142 V HA 0.352 4.473 4.120 0.001 0.000 0.304 142 V C -1.095 175.252 176.094 0.422 0.000 1.042 142 V CA -0.797 61.732 62.300 0.382 0.000 0.877 142 V CB 1.983 33.899 31.823 0.156 0.000 0.996 142 V HN 0.536 nan 8.190 nan 0.000 0.425 143 L N 6.223 127.651 121.223 0.341 0.000 2.260 143 L HA 0.591 4.931 4.340 0.001 0.000 0.289 143 L C -0.429 176.496 176.870 0.091 0.000 1.057 143 L CA 0.319 55.155 54.840 -0.006 0.000 0.811 143 L CB 1.234 43.282 42.059 -0.018 0.000 1.184 143 L HN 0.470 nan 8.230 nan 0.000 0.429 144 V N 6.085 126.010 119.914 0.019 0.000 2.394 144 V HA 0.438 4.559 4.120 0.001 0.000 0.282 144 V C -0.338 175.784 176.094 0.045 0.000 1.031 144 V CA -0.574 61.752 62.300 0.043 0.000 0.881 144 V CB 1.673 33.508 31.823 0.020 0.000 0.982 144 V HN 0.512 nan 8.190 nan 0.000 0.451 145 V N 5.851 125.823 119.914 0.097 0.000 2.376 145 V HA 0.435 4.556 4.120 0.001 0.000 0.287 145 V C -0.279 175.849 176.094 0.057 0.000 1.015 145 V CA -0.600 61.728 62.300 0.046 0.000 0.834 145 V CB 1.610 33.467 31.823 0.057 0.000 1.001 145 V HN 0.579 nan 8.190 nan 0.000 0.428 146 V N 3.374 123.292 119.914 0.007 0.000 2.370 146 V HA 0.346 4.467 4.120 0.001 0.000 0.283 146 V C -0.073 176.062 176.094 0.069 0.000 1.023 146 V CA -0.565 61.766 62.300 0.051 0.000 0.857 146 V CB 1.809 33.675 31.823 0.072 0.000 0.985 146 V HN 0.979 nan 8.190 nan 0.000 0.443 147 D N 3.988 124.455 120.400 0.112 0.000 2.348 147 D HA 0.377 5.018 4.640 0.001 0.000 0.253 147 D C 1.313 177.752 176.300 0.231 0.000 1.161 147 D CA 0.600 54.722 54.000 0.203 0.000 0.876 147 D CB 1.771 42.703 40.800 0.220 0.000 1.160 147 D HN 0.537 nan 8.370 nan 0.000 0.459 148 G N 4.067 113.051 108.800 0.307 0.000 2.806 148 G HA2 -0.356 3.605 3.960 0.001 0.000 0.214 148 G HA3 -0.356 3.605 3.960 0.001 0.000 0.214 148 G C 1.376 176.387 174.900 0.185 0.000 1.331 148 G CA 1.077 46.366 45.100 0.315 0.000 0.807 148 G HN 0.609 nan 8.290 nan 0.000 0.644 149 M N 1.317 120.995 119.600 0.129 0.000 2.352 149 M HA -0.192 4.288 4.480 0.001 0.000 0.260 149 M C 2.797 179.140 176.300 0.071 0.000 1.068 149 M CA 3.226 58.575 55.300 0.081 0.000 1.082 149 M CB -1.387 31.238 32.600 0.042 0.000 1.262 149 M HN 0.479 nan 8.290 nan 0.000 0.444 150 T N -2.906 111.681 114.554 0.055 0.000 2.896 150 T HA 0.163 4.514 4.350 0.001 0.000 0.263 150 T C 1.536 176.289 174.700 0.087 0.000 1.050 150 T CA 1.661 63.799 62.100 0.063 0.000 1.140 150 T CB -0.665 68.236 68.868 0.055 0.000 0.877 150 T HN 0.825 nan 8.240 nan 0.000 0.457 151 G N 0.853 109.707 108.800 0.089 0.000 2.136 151 G HA2 -0.219 3.741 3.960 0.001 0.000 0.242 151 G HA3 -0.219 3.741 3.960 0.001 0.000 0.242 151 G C -0.122 174.784 174.900 0.010 0.000 0.989 151 G CA -0.076 45.056 45.100 0.052 0.000 0.682 151 G HN 0.647 nan 8.290 nan 0.000 0.522 152 F N 2.066 121.941 119.950 -0.125 0.000 2.529 152 F HA 0.503 5.031 4.527 0.001 0.000 0.365 152 F C 0.789 176.361 175.800 -0.380 0.000 1.102 152 F CA 1.229 59.053 58.000 -0.294 0.000 1.271 152 F CB 0.942 39.715 39.000 -0.378 0.000 1.120 152 F HN 0.036 nan 8.300 nan 0.000 0.579 153 T N 5.703 119.808 114.554 -0.748 0.000 2.881 153 T HA 0.268 4.619 4.350 0.001 0.000 0.290 153 T C -1.116 173.274 174.700 -0.517 0.000 1.000 153 T CA -0.533 61.321 62.100 -0.410 0.000 0.978 153 T CB 0.935 69.628 68.868 -0.292 0.000 0.997 153 T HN 0.449 nan 8.240 nan 0.000 0.443 154 W N 2.974 124.194 121.300 -0.132 0.000 2.627 154 W HA 0.637 5.298 4.660 0.001 0.000 0.339 154 W C -0.992 175.336 176.519 -0.319 0.000 1.058 154 W CA -0.965 56.262 57.345 -0.197 0.000 1.223 154 W CB 1.504 30.930 29.460 -0.056 0.000 1.389 154 W HN 0.317 nan 8.180 nan 0.000 0.541 155 L N 3.578 124.610 121.223 -0.319 0.000 2.372 155 L HA 0.336 4.677 4.340 0.001 0.000 0.273 155 L C -1.448 175.176 176.870 -0.411 0.000 0.989 155 L CA -0.875 53.810 54.840 -0.259 0.000 0.841 155 L CB 0.986 42.953 42.059 -0.154 0.000 1.225 155 L HN 0.272 nan 8.230 nan 0.000 0.414 156 Y N 3.857 124.240 120.300 0.138 0.000 2.328 156 Y HA 0.386 4.936 4.550 0.001 0.000 0.333 156 Y C -2.133 173.893 175.900 0.209 0.000 0.958 156 Y CA -2.908 55.279 58.100 0.147 0.000 1.167 156 Y CB 1.377 39.926 38.460 0.148 0.000 1.151 156 Y HN 0.348 nan 8.280 nan 0.000 0.470 157 P HA 0.091 nan 4.420 nan 0.000 0.276 157 P C -0.131 177.459 177.300 0.484 0.000 1.243 157 P CA 0.008 63.310 63.100 0.335 0.000 0.768 157 P CB 1.172 32.851 31.700 -0.036 0.000 0.856 158 T N -0.315 114.644 114.554 0.675 0.000 2.916 158 T HA 0.399 4.749 4.350 0.001 0.000 0.292 158 T C 0.746 175.811 174.700 0.608 0.000 1.064 158 T CA -0.814 61.654 62.100 0.615 0.000 1.011 158 T CB 1.851 70.974 68.868 0.426 0.000 1.152 158 T HN 0.175 nan 8.240 nan 0.000 0.510 159 K N 0.237 120.805 120.400 0.279 0.000 2.379 159 K HA 0.552 4.873 4.320 0.001 0.000 0.194 159 K C 0.552 177.216 176.600 0.107 0.000 1.031 159 K CA 0.137 56.480 56.287 0.093 0.000 1.037 159 K CB 0.537 32.959 32.500 -0.131 0.000 0.824 159 K HN 0.784 nan 8.250 nan 0.000 0.516 160 A N 1.437 124.224 122.820 -0.054 0.000 2.586 160 A HA 0.342 4.662 4.320 0.001 0.000 0.291 160 A C -2.860 174.238 177.584 -0.810 0.000 1.062 160 A CA -1.046 50.713 52.037 -0.463 0.000 0.666 160 A CB 1.098 19.925 19.000 -0.287 0.000 1.281 160 A HN -0.148 nan 8.150 nan 0.000 0.421 161 P HA 0.246 nan 4.420 nan 0.000 0.214 161 P C -0.272 176.562 177.300 -0.776 0.000 1.849 161 P CA 0.133 62.342 63.100 -1.486 0.000 1.022 161 P CB -0.124 30.700 31.700 -1.460 0.000 1.912 162 S N -0.625 114.796 115.700 -0.465 0.000 2.638 162 S HA 0.408 4.878 4.470 0.001 0.000 0.298 162 S C 1.320 175.838 174.600 -0.136 0.000 1.111 162 S CA -0.365 57.683 58.200 -0.254 0.000 1.027 162 S CB 0.681 63.776 63.200 -0.176 0.000 1.064 162 S HN 0.089 nan 8.310 nan 0.000 0.525 163 T N 1.623 116.118 114.554 -0.098 0.000 2.643 163 T HA -0.174 4.176 4.350 0.001 0.000 0.264 163 T C 2.075 176.780 174.700 0.009 0.000 1.045 163 T CA 1.769 63.861 62.100 -0.014 0.000 1.155 163 T CB -0.937 67.966 68.868 0.058 0.000 0.863 163 T HN 0.749 nan 8.240 nan 0.000 0.420 164 S N 1.577 117.278 115.700 0.002 0.000 2.490 164 S HA -0.350 4.120 4.470 0.001 0.000 0.291 164 S C 2.058 176.665 174.600 0.011 0.000 1.182 164 S CA 2.313 60.517 58.200 0.006 0.000 1.215 164 S CB -0.774 62.419 63.200 -0.011 0.000 1.176 164 S HN 0.671 nan 8.310 nan 0.000 0.440 165 A N -1.041 121.787 122.820 0.014 0.000 2.169 165 A HA 0.250 4.570 4.320 0.001 0.000 0.210 165 A C 2.159 179.790 177.584 0.079 0.000 1.168 165 A CA 1.152 53.223 52.037 0.056 0.000 0.813 165 A CB -0.545 18.501 19.000 0.077 0.000 0.861 165 A HN 0.626 nan 8.150 nan 0.000 0.481 166 T N -0.249 114.351 114.554 0.077 0.000 2.812 166 T HA -0.089 4.262 4.350 0.001 0.000 0.264 166 T C 1.885 176.518 174.700 -0.112 0.000 1.042 166 T CA 1.512 63.647 62.100 0.058 0.000 1.140 166 T CB -0.329 68.576 68.868 0.062 0.000 0.870 166 T HN 0.116 nan 8.240 nan 0.000 0.445 167 V N 1.694 121.511 119.914 -0.161 0.000 2.233 167 V HA -0.218 3.902 4.120 0.001 0.000 0.247 167 V C 2.569 178.538 176.094 -0.207 0.000 1.050 167 V CA 1.620 63.686 62.300 -0.391 0.000 1.010 167 V CB -0.548 31.121 31.823 -0.256 0.000 0.637 167 V HN 0.435 nan 8.190 nan 0.000 0.444 168 K N 0.005 120.361 120.400 -0.073 0.000 2.071 168 K HA -0.272 4.048 4.320 0.001 0.000 0.217 168 K C 2.361 178.907 176.600 -0.091 0.000 1.054 168 K CA 2.281 58.554 56.287 -0.023 0.000 0.937 168 K CB -0.448 32.069 32.500 0.027 0.000 0.719 168 K HN 0.454 nan 8.250 nan 0.000 0.454 169 S N 1.125 116.713 115.700 -0.186 0.000 2.355 169 S HA -0.056 4.414 4.470 0.001 0.000 0.222 169 S C 1.960 176.224 174.600 -0.560 0.000 1.031 169 S CA 0.913 58.807 58.200 -0.510 0.000 0.993 169 S CB -0.153 62.689 63.200 -0.597 0.000 0.859 169 S HN 0.207 nan 8.310 nan 0.000 0.453 170 L N 1.823 122.846 121.223 -0.334 0.000 2.275 170 L HA -0.097 4.243 4.340 0.001 0.000 0.215 170 L C 2.196 179.119 176.870 0.088 0.000 1.119 170 L CA 0.566 55.314 54.840 -0.154 0.000 0.790 170 L CB -0.546 41.377 42.059 -0.227 0.000 0.919 170 L HN 0.296 nan 8.230 nan 0.000 0.443 171 N N -0.031 118.730 118.700 0.102 0.000 2.028 171 N HA -0.150 4.591 4.740 0.001 0.000 0.194 171 N C 1.908 177.463 175.510 0.075 0.000 1.050 171 N CA 1.487 54.647 53.050 0.182 0.000 0.848 171 N CB -0.454 38.146 38.487 0.189 0.000 1.038 171 N HN 0.070 nan 8.380 nan 0.000 0.423 172 V N 1.923 121.844 119.914 0.012 0.000 2.428 172 V HA -0.226 3.894 4.120 0.001 0.000 0.255 172 V C 2.373 178.498 176.094 0.052 0.000 1.080 172 V CA 1.295 63.618 62.300 0.039 0.000 1.083 172 V CB -0.568 31.286 31.823 0.051 0.000 0.665 172 V HN 0.214 nan 8.190 nan 0.000 0.461 173 L N 0.999 122.207 121.223 -0.024 0.000 2.049 173 L HA -0.082 4.258 4.340 0.001 0.000 0.203 173 L C 2.679 179.546 176.870 -0.004 0.000 1.074 173 L CA 2.680 57.494 54.840 -0.044 0.000 0.749 173 L CB -1.100 40.890 42.059 -0.115 0.000 0.907 173 L HN 0.542 nan 8.230 nan 0.000 0.439 174 T N -3.536 111.055 114.554 0.061 0.000 3.098 174 T HA -0.070 4.281 4.350 0.001 0.000 0.266 174 T C 1.827 176.524 174.700 -0.006 0.000 1.145 174 T CA 1.011 63.136 62.100 0.042 0.000 1.092 174 T CB -0.707 68.205 68.868 0.074 0.000 0.908 174 T HN 0.323 nan 8.240 nan 0.000 0.526 175 S N 1.607 117.319 115.700 0.020 0.000 2.400 175 S HA -0.045 4.425 4.470 0.001 0.000 0.232 175 S C 1.878 176.481 174.600 0.004 0.000 1.025 175 S CA 1.003 59.212 58.200 0.015 0.000 0.993 175 S CB -0.343 62.886 63.200 0.048 0.000 0.808 175 S HN 0.505 nan 8.310 nan 0.000 0.478 176 I N 0.886 121.469 120.570 0.021 0.000 2.188 176 I HA 0.210 4.381 4.170 0.001 0.000 0.237 176 I C 1.200 177.245 176.117 -0.121 0.000 1.073 176 I CA 0.782 62.096 61.300 0.024 0.000 1.359 176 I CB -1.691 36.402 38.000 0.155 0.000 1.083 176 I HN 0.264 nan 8.210 nan 0.000 0.412 177 A N 0.527 123.236 122.820 -0.186 0.000 2.567 177 A HA 0.721 5.042 4.320 0.001 0.000 0.289 177 A C -1.028 176.390 177.584 -0.277 0.000 1.177 177 A CA -0.487 51.303 52.037 -0.412 0.000 0.694 177 A CB 1.718 20.053 19.000 -1.109 0.000 1.292 177 A HN 0.050 nan 8.150 nan 0.000 0.425 178 I N 1.641 122.018 120.570 -0.323 0.000 2.441 178 I HA 0.440 4.611 4.170 0.001 0.000 0.295 178 I C -2.308 173.634 176.117 -0.291 0.000 0.994 178 I CA -1.821 59.324 61.300 -0.257 0.000 1.144 178 I CB 1.494 39.355 38.000 -0.231 0.000 1.314 178 I HN 0.467 nan 8.210 nan 0.000 0.445 179 P HA 0.377 nan 4.420 nan 0.000 0.284 179 P C 0.010 177.154 177.300 -0.259 0.000 1.258 179 P CA -0.586 62.251 63.100 -0.438 0.000 0.824 179 P CB 1.775 32.895 31.700 -0.966 0.000 1.038 180 K N 0.203 120.498 120.400 -0.175 0.000 2.025 180 K HA 0.057 4.377 4.320 0.001 0.000 0.207 180 K C 0.404 176.945 176.600 -0.098 0.000 1.049 180 K CA 1.166 57.384 56.287 -0.115 0.000 0.933 180 K CB -0.075 32.383 32.500 -0.070 0.000 0.714 180 K HN 0.301 nan 8.250 nan 0.000 0.438 181 V N 1.609 121.456 119.914 -0.112 0.000 2.709 181 V HA 0.388 4.509 4.120 0.001 0.000 0.308 181 V C -0.617 175.405 176.094 -0.121 0.000 1.062 181 V CA -0.822 61.416 62.300 -0.103 0.000 0.901 181 V CB 2.137 33.914 31.823 -0.077 0.000 1.003 181 V HN 0.079 nan 8.190 nan 0.000 0.425 182 I N 3.211 123.707 120.570 -0.124 0.000 2.418 182 I HA 0.445 4.616 4.170 0.001 0.000 0.287 182 I C -0.735 175.295 176.117 -0.145 0.000 1.008 182 I CA -0.406 60.866 61.300 -0.046 0.000 1.104 182 I CB 1.658 39.715 38.000 0.096 0.000 1.264 182 I HN 0.770 nan 8.210 nan 0.000 0.438 183 H N 5.332 124.239 119.070 -0.272 0.000 2.459 183 H HA 0.650 5.207 4.556 0.001 0.000 0.332 183 H C -0.610 174.690 175.328 -0.048 0.000 1.094 183 H CA -0.255 55.657 56.048 -0.227 0.000 1.224 183 H CB 1.225 30.734 29.762 -0.421 0.000 1.449 183 H HN 0.658 nan 8.280 nan 0.000 0.484 184 S N 2.605 118.364 115.700 0.099 0.000 2.607 184 S HA 0.256 4.727 4.470 0.001 0.000 0.273 184 S C -1.210 173.569 174.600 0.297 0.000 1.148 184 S CA -1.156 57.149 58.200 0.175 0.000 0.833 184 S CB 1.385 64.386 63.200 -0.330 0.000 1.130 184 S HN 0.769 nan 8.310 nan 0.000 0.470 185 D N 0.499 121.082 120.400 0.306 0.000 2.423 185 D HA 0.112 4.752 4.640 0.001 0.000 0.238 185 D C 0.256 176.655 176.300 0.165 0.000 1.142 185 D CA -0.273 53.868 54.000 0.235 0.000 0.884 185 D CB 0.002 40.925 40.800 0.205 0.000 1.199 185 D HN 0.621 nan 8.370 nan 0.000 0.438 186 Q N 0.861 120.631 119.800 -0.050 0.000 2.294 186 Q HA 0.109 4.450 4.340 0.001 0.000 0.207 186 Q C 0.675 176.570 176.000 -0.175 0.000 0.887 186 Q CA -0.092 55.543 55.803 -0.281 0.000 0.987 186 Q CB -0.429 28.107 28.738 -0.336 0.000 1.101 186 Q HN 0.607 nan 8.270 nan 0.000 0.447 187 G N 0.312 109.104 108.800 -0.013 0.000 2.265 187 G HA2 0.111 4.071 3.960 0.001 0.000 0.240 187 G HA3 0.111 4.071 3.960 0.001 0.000 0.240 187 G C 1.090 175.825 174.900 -0.274 0.000 1.270 187 G CA 0.167 45.184 45.100 -0.138 0.000 0.901 187 G HN 0.398 nan 8.290 nan 0.000 0.507 188 A N 3.576 126.247 122.820 -0.249 0.000 1.899 188 A HA -0.214 4.107 4.320 0.001 0.000 0.230 188 A C 2.832 180.263 177.584 -0.255 0.000 1.593 188 A CA 3.496 55.398 52.037 -0.225 0.000 0.728 188 A CB -1.169 17.710 19.000 -0.203 0.000 0.848 188 A HN 1.789 nan 8.150 nan 0.000 0.490 189 A N -2.374 120.204 122.820 -0.403 0.000 2.076 189 A HA 0.084 4.404 4.320 0.001 0.000 0.220 189 A C 1.799 179.184 177.584 -0.331 0.000 1.160 189 A CA 1.801 53.605 52.037 -0.389 0.000 0.653 189 A CB -0.641 18.063 19.000 -0.493 0.000 0.801 189 A HN 0.552 nan 8.150 nan 0.000 0.455 190 F N 0.032 119.847 119.950 -0.225 0.000 2.446 190 F HA 0.044 4.572 4.527 0.001 0.000 0.292 190 F C 2.322 178.141 175.800 0.032 0.000 1.096 190 F CA 1.278 59.111 58.000 -0.279 0.000 1.438 190 F CB -0.946 37.963 39.000 -0.153 0.000 1.107 190 F HN 0.231 nan 8.300 nan 0.000 0.546 191 T N -2.256 112.313 114.554 0.026 0.000 3.235 191 T HA 0.143 4.494 4.350 0.001 0.000 0.251 191 T C 0.806 175.553 174.700 0.077 0.000 1.060 191 T CA 0.113 62.185 62.100 -0.047 0.000 0.949 191 T CB -0.795 67.879 68.868 -0.322 0.000 1.020 191 T HN 0.121 nan 8.240 nan 0.000 0.564 192 S N 1.456 117.232 115.700 0.127 0.000 2.600 192 S HA 0.252 4.722 4.470 0.001 0.000 0.265 192 S C 1.669 176.386 174.600 0.196 0.000 1.325 192 S CA -0.032 58.242 58.200 0.123 0.000 1.002 192 S CB 1.238 64.500 63.200 0.103 0.000 0.921 192 S HN 0.426 nan 8.310 nan 0.000 0.554 193 S N 1.102 116.888 115.700 0.143 0.000 2.414 193 S HA -0.072 4.398 4.470 0.001 0.000 0.227 193 S C 1.750 176.448 174.600 0.164 0.000 1.022 193 S CA 1.029 59.314 58.200 0.142 0.000 0.958 193 S CB -1.541 61.715 63.200 0.094 0.000 0.797 193 S HN 0.820 nan 8.310 nan 0.000 0.493 194 T N 1.848 116.500 114.554 0.164 0.000 2.699 194 T HA -0.071 4.280 4.350 0.001 0.000 0.268 194 T C 1.280 176.139 174.700 0.265 0.000 1.036 194 T CA 1.609 63.817 62.100 0.180 0.000 1.147 194 T CB -0.599 68.361 68.868 0.153 0.000 0.862 194 T HN 0.434 nan 8.240 nan 0.000 0.446 195 F N 2.019 122.063 119.950 0.157 0.000 2.146 195 F HA 0.134 4.661 4.527 0.000 0.000 0.298 195 F C 2.503 178.462 175.800 0.265 0.000 1.096 195 F CA 0.575 58.702 58.000 0.210 0.000 1.275 195 F CB -0.828 38.297 39.000 0.208 0.000 1.008 195 F HN 0.142 nan 8.300 nan 0.000 0.480 196 A N 0.230 123.207 122.820 0.262 0.000 1.903 196 A HA -0.246 4.074 4.320 0.001 0.000 0.219 196 A C 2.177 179.794 177.584 0.054 0.000 1.191 196 A CA 2.047 54.166 52.037 0.135 0.000 0.638 196 A CB -0.866 18.231 19.000 0.162 0.000 0.823 196 A HN 0.400 nan 8.150 nan 0.000 0.451 197 E N -1.166 119.086 120.200 0.087 0.000 2.013 197 E HA -0.252 4.098 4.350 0.001 0.000 0.202 197 E C 1.680 178.299 176.600 0.031 0.000 1.018 197 E CA 1.461 57.895 56.400 0.056 0.000 0.834 197 E CB -0.936 28.814 29.700 0.084 0.000 0.770 197 E HN 0.833 nan 8.360 nan 0.000 0.459 198 W N 1.457 122.688 121.300 -0.115 0.000 2.292 198 W HA -0.329 4.332 4.660 0.000 0.000 0.304 198 W C 2.265 178.637 176.519 -0.245 0.000 1.228 198 W CA 3.005 60.254 57.345 -0.161 0.000 1.241 198 W CB -0.250 29.117 29.460 -0.156 0.000 1.142 198 W HN 0.135 nan 8.180 nan 0.000 0.520 199 A N -0.216 122.548 122.820 -0.093 0.000 1.930 199 A HA -0.113 4.207 4.320 0.001 0.000 0.215 199 A C 2.003 179.421 177.584 -0.277 0.000 1.176 199 A CA 1.578 53.453 52.037 -0.270 0.000 0.632 199 A CB -0.839 18.043 19.000 -0.197 0.000 0.819 199 A HN 0.356 nan 8.150 nan 0.000 0.445 200 K N 0.029 120.327 120.400 -0.171 0.000 2.032 200 K HA -0.208 4.112 4.320 0.001 0.000 0.209 200 K C 1.907 178.395 176.600 -0.186 0.000 1.048 200 K CA 1.773 57.979 56.287 -0.136 0.000 0.927 200 K CB -0.216 32.240 32.500 -0.074 0.000 0.712 200 K HN 0.592 nan 8.250 nan 0.000 0.441 201 E N -0.028 120.040 120.200 -0.219 0.000 2.086 201 E HA -0.227 4.124 4.350 0.001 0.000 0.200 201 E C 2.014 178.426 176.600 -0.313 0.000 1.012 201 E CA 1.554 57.806 56.400 -0.246 0.000 0.812 201 E CB 0.004 29.543 29.700 -0.268 0.000 0.743 201 E HN 0.222 nan 8.360 nan 0.000 0.453 202 R N -0.673 119.544 120.500 -0.471 0.000 2.313 202 R HA 0.077 4.417 4.340 0.001 0.000 0.199 202 R C 0.417 176.521 176.300 -0.327 0.000 0.958 202 R CA 0.445 56.267 56.100 -0.463 0.000 1.047 202 R CB 0.505 30.371 30.300 -0.723 0.000 0.955 202 R HN 0.205 nan 8.270 nan 0.000 0.481 203 G N 1.908 110.546 108.800 -0.270 0.000 2.392 203 G HA2 -0.251 3.709 3.960 0.001 0.000 0.290 203 G HA3 -0.251 3.709 3.960 0.001 0.000 0.290 203 G C -0.296 174.496 174.900 -0.180 0.000 1.032 203 G CA -0.018 44.968 45.100 -0.190 0.000 1.269 203 G HN 0.256 nan 8.290 nan 0.000 0.511 204 I N 0.797 121.260 120.570 -0.177 0.000 2.533 204 I HA 0.314 4.485 4.170 0.001 0.000 0.290 204 I C 0.355 176.433 176.117 -0.066 0.000 1.056 204 I CA -1.070 60.149 61.300 -0.135 0.000 1.057 204 I CB 2.114 40.015 38.000 -0.165 0.000 1.240 204 I HN 0.395 nan 8.210 nan 0.000 0.423 205 H N 6.838 125.823 119.070 -0.143 0.000 2.742 205 H HA 0.375 4.931 4.556 0.001 0.000 0.302 205 H C -1.083 174.140 175.328 -0.175 0.000 1.069 205 H CA -0.614 55.348 56.048 -0.143 0.000 1.446 205 H CB 1.014 30.702 29.762 -0.124 0.000 1.462 205 H HN 0.484 nan 8.280 nan 0.000 0.499 206 L N 5.803 126.710 121.223 -0.526 0.000 2.278 206 L HA 0.149 4.489 4.340 0.001 0.000 0.287 206 L C 0.439 176.647 176.870 -1.104 0.000 1.072 206 L CA 0.085 54.506 54.840 -0.698 0.000 0.819 206 L CB 0.735 42.463 42.059 -0.551 0.000 1.176 206 L HN 0.648 nan 8.230 nan 0.000 0.435 207 E N 4.021 123.656 120.200 -0.942 0.000 2.158 207 E HA 0.406 4.756 4.350 0.001 0.000 0.271 207 E C -1.576 174.571 176.600 -0.754 0.000 0.911 207 E CA -0.677 55.276 56.400 -0.744 0.000 0.767 207 E CB 1.178 30.623 29.700 -0.424 0.000 1.120 207 E HN 0.241 nan 8.360 nan 0.000 0.405 208 F N 2.031 121.775 119.950 -0.342 0.000 2.458 208 F HA 0.292 4.819 4.527 0.001 0.000 0.336 208 F C 0.398 176.037 175.800 -0.269 0.000 1.114 208 F CA -0.903 56.904 58.000 -0.322 0.000 0.987 208 F CB 1.952 40.875 39.000 -0.128 0.000 1.130 208 F HN 0.316 nan 8.300 nan 0.000 0.458 209 S N 0.766 116.468 115.700 0.004 0.000 2.573 209 S HA 0.190 4.661 4.470 0.001 0.000 0.277 209 S C 0.249 174.930 174.600 0.135 0.000 1.346 209 S CA -0.684 57.635 58.200 0.199 0.000 1.034 209 S CB 0.138 63.550 63.200 0.353 0.000 0.879 209 S HN 0.690 nan 8.310 nan 0.000 0.528 210 T N 1.179 115.808 114.554 0.124 0.000 2.903 210 T HA 0.248 4.598 4.350 0.001 0.000 0.314 210 T C -2.491 172.254 174.700 0.074 0.000 1.078 210 T CA -1.322 60.823 62.100 0.074 0.000 1.114 210 T CB -0.450 68.433 68.868 0.026 0.000 0.987 210 T HN 0.355 nan 8.240 nan 0.000 0.548 211 P HA 0.110 nan 4.420 nan 0.000 0.272 211 P C -0.492 176.828 177.300 0.033 0.000 1.223 211 P CA -0.359 62.665 63.100 -0.126 0.000 0.784 211 P CB -0.151 31.417 31.700 -0.219 0.000 0.923 212 Y N -1.150 119.222 120.300 0.119 0.000 3.108 212 Y HA -0.233 4.317 4.550 0.001 0.000 0.208 212 Y C 0.633 176.635 175.900 0.171 0.000 1.245 212 Y CA 1.049 59.217 58.100 0.112 0.000 1.171 212 Y CB -2.866 35.645 38.460 0.085 0.000 1.331 212 Y HN 0.575 nan 8.280 nan 0.000 0.534 213 H N -0.522 118.640 119.070 0.152 0.000 2.562 213 H HA 0.263 4.819 4.556 0.001 0.000 0.230 213 H C -2.498 172.896 175.328 0.110 0.000 1.415 213 H CA -1.767 54.360 56.048 0.133 0.000 1.454 213 H CB 1.398 31.239 29.762 0.132 0.000 1.716 213 H HN -0.006 nan 8.280 nan 0.000 0.538 214 P HA -0.040 nan 4.420 nan 0.000 0.233 214 P C 1.167 178.465 177.300 -0.004 0.000 1.167 214 P CA 0.614 63.736 63.100 0.036 0.000 0.770 214 P CB 0.448 32.161 31.700 0.022 0.000 0.837 215 Q N -0.728 119.000 119.800 -0.120 0.000 2.234 215 Q HA -0.122 4.219 4.340 0.001 0.000 0.206 215 Q C 2.142 178.185 176.000 0.072 0.000 0.980 215 Q CA 1.589 57.360 55.803 -0.054 0.000 0.869 215 Q CB -1.136 27.551 28.738 -0.085 0.000 0.912 215 Q HN 0.197 nan 8.270 nan 0.000 0.436 216 S N 0.243 116.094 115.700 0.251 0.000 2.365 216 S HA -0.125 4.345 4.470 0.001 0.000 0.225 216 S C 1.536 176.191 174.600 0.092 0.000 1.039 216 S CA 1.421 59.772 58.200 0.252 0.000 1.033 216 S CB -0.220 63.217 63.200 0.395 0.000 0.887 216 S HN 0.310 nan 8.310 nan 0.000 0.447 217 S N 1.024 116.790 115.700 0.110 0.000 2.743 217 S HA 0.251 4.722 4.470 0.001 0.000 0.230 217 S C 1.825 176.326 174.600 -0.164 0.000 0.950 217 S CA 0.153 58.361 58.200 0.013 0.000 0.976 217 S CB -0.109 63.199 63.200 0.180 0.000 0.779 217 S HN 0.601 nan 8.310 nan 0.000 0.487 218 G N 3.122 111.810 108.800 -0.186 0.000 2.606 218 G HA2 -0.325 3.635 3.960 0.001 0.000 0.221 218 G HA3 -0.325 3.635 3.960 0.001 0.000 0.221 218 G C 1.514 176.252 174.900 -0.269 0.000 1.152 218 G CA 0.976 45.960 45.100 -0.193 0.000 0.765 218 G HN 0.424 nan 8.290 nan 0.000 0.595 219 K N -0.144 119.953 120.400 -0.504 0.000 2.063 219 K HA -0.088 4.232 4.320 0.001 0.000 0.208 219 K C 2.707 179.148 176.600 -0.266 0.000 1.048 219 K CA 1.575 57.582 56.287 -0.467 0.000 0.928 219 K CB -0.328 31.694 32.500 -0.796 0.000 0.713 219 K HN 0.384 nan 8.250 nan 0.000 0.442 220 V N 1.427 121.206 119.914 -0.224 0.000 2.255 220 V HA -0.184 3.936 4.120 0.001 0.000 0.243 220 V C 2.173 178.230 176.094 -0.061 0.000 1.038 220 V CA 1.466 63.725 62.300 -0.068 0.000 1.008 220 V CB -0.671 31.163 31.823 0.019 0.000 0.645 220 V HN 0.210 nan 8.190 nan 0.000 0.449 221 E N 1.024 121.190 120.200 -0.056 0.000 2.086 221 E HA -0.323 4.027 4.350 0.001 0.000 0.205 221 E C 2.306 178.873 176.600 -0.054 0.000 1.027 221 E CA 2.052 58.430 56.400 -0.038 0.000 0.830 221 E CB -0.498 29.184 29.700 -0.030 0.000 0.751 221 E HN 0.450 nan 8.360 nan 0.000 0.456 222 R N 1.462 121.916 120.500 -0.077 0.000 2.241 222 R HA -0.110 4.231 4.340 0.001 0.000 0.224 222 R C 1.963 178.222 176.300 -0.068 0.000 1.101 222 R CA 1.476 57.533 56.100 -0.072 0.000 0.995 222 R CB -0.099 30.153 30.300 -0.080 0.000 0.870 222 R HN -0.034 nan 8.270 nan 0.000 0.463 223 K N -0.031 120.326 120.400 -0.072 0.000 2.098 223 K HA 0.073 4.393 4.320 0.001 0.000 0.203 223 K C 1.441 178.003 176.600 -0.063 0.000 1.051 223 K CA 1.214 57.459 56.287 -0.071 0.000 0.957 223 K CB -0.096 32.360 32.500 -0.074 0.000 0.738 223 K HN 0.129 nan 8.250 nan 0.000 0.447 224 N N 0.596 119.266 118.700 -0.050 0.000 2.073 224 N HA -0.274 4.466 4.740 0.001 0.000 0.199 224 N C 1.737 177.215 175.510 -0.054 0.000 1.023 224 N CA 1.787 54.810 53.050 -0.044 0.000 0.880 224 N CB -1.021 37.451 38.487 -0.026 0.000 1.052 224 N HN 0.277 nan 8.380 nan 0.000 0.449 225 S N 0.995 116.664 115.700 -0.051 0.000 2.359 225 S HA -0.202 4.269 4.470 0.001 0.000 0.222 225 S C 1.333 175.900 174.600 -0.055 0.000 1.038 225 S CA 1.989 60.158 58.200 -0.051 0.000 1.051 225 S CB -0.513 62.658 63.200 -0.047 0.000 0.944 225 S HN 0.282 nan 8.310 nan 0.000 0.433 226 D N 0.490 120.855 120.400 -0.059 0.000 2.221 226 D HA -0.017 4.623 4.640 0.001 0.000 0.204 226 D C 1.781 178.040 176.300 -0.069 0.000 0.982 226 D CA 1.211 55.173 54.000 -0.063 0.000 0.857 226 D CB -0.171 40.587 40.800 -0.070 0.000 0.934 226 D HN 0.479 nan 8.370 nan 0.000 0.475 227 I N 0.398 120.925 120.570 -0.072 0.000 2.233 227 I HA -0.193 3.977 4.170 0.001 0.000 0.243 227 I C 2.205 178.278 176.117 -0.074 0.000 1.093 227 I CA 0.969 62.224 61.300 -0.075 0.000 1.380 227 I CB -0.040 37.914 38.000 -0.076 0.000 1.067 227 I HN -0.086 nan 8.210 nan 0.000 0.413 228 K N 0.331 120.685 120.400 -0.076 0.000 2.025 228 K HA -0.184 4.136 4.320 0.001 0.000 0.207 228 K C 2.279 178.842 176.600 -0.063 0.000 1.049 228 K CA 1.194 57.432 56.287 -0.082 0.000 0.933 228 K CB -0.192 32.259 32.500 -0.082 0.000 0.714 228 K HN 0.151 nan 8.250 nan 0.000 0.438 229 R N 1.061 121.528 120.500 -0.055 0.000 2.097 229 R HA -0.181 4.159 4.340 0.001 0.000 0.236 229 R C 2.355 178.630 176.300 -0.041 0.000 1.135 229 R CA 1.520 57.593 56.100 -0.045 0.000 0.934 229 R CB -0.428 29.845 30.300 -0.044 0.000 0.846 229 R HN 0.083 nan 8.270 nan 0.000 0.431 230 L N 0.854 122.050 121.223 -0.045 0.000 2.083 230 L HA -0.100 4.240 4.340 0.001 0.000 0.209 230 L C 2.022 178.876 176.870 -0.027 0.000 1.083 230 L CA 1.506 56.322 54.840 -0.039 0.000 0.752 230 L CB -0.367 41.663 42.059 -0.049 0.000 0.899 230 L HN 0.297 nan 8.230 nan 0.000 0.433 231 L N -1.201 120.005 121.223 -0.028 0.000 2.012 231 L HA -0.279 4.062 4.340 0.001 0.000 0.210 231 L C 2.344 179.216 176.870 0.002 0.000 1.073 231 L CA 2.001 56.838 54.840 -0.005 0.000 0.748 231 L CB -0.782 41.264 42.059 -0.020 0.000 0.891 231 L HN 0.316 nan 8.230 nan 0.000 0.431 232 T N -0.608 113.937 114.554 -0.015 0.000 2.643 232 T HA -0.215 4.135 4.350 0.001 0.000 0.264 232 T C 1.819 176.516 174.700 -0.005 0.000 1.045 232 T CA 1.376 63.470 62.100 -0.011 0.000 1.155 232 T CB -0.137 68.717 68.868 -0.023 0.000 0.863 232 T HN 0.271 nan 8.240 nan 0.000 0.420 233 K N 0.766 121.159 120.400 -0.012 0.000 2.173 233 K HA -0.074 4.247 4.320 0.001 0.000 0.207 233 K C 2.112 178.709 176.600 -0.004 0.000 1.046 233 K CA 1.147 57.427 56.287 -0.011 0.000 0.929 233 K CB -0.351 32.138 32.500 -0.019 0.000 0.720 233 K HN 0.322 nan 8.250 nan 0.000 0.453 234 L N 0.117 121.340 121.223 0.001 0.000 2.270 234 L HA -0.030 4.311 4.340 0.001 0.000 0.210 234 L C 1.571 178.453 176.870 0.020 0.000 1.104 234 L CA 0.473 55.318 54.840 0.008 0.000 0.804 234 L CB 0.046 42.111 42.059 0.010 0.000 0.937 234 L HN 0.109 nan 8.230 nan 0.000 0.450 235 L N -0.199 121.041 121.223 0.027 0.000 2.728 235 L HA 0.154 4.495 4.340 0.001 0.000 0.235 235 L C 0.172 177.057 176.870 0.026 0.000 1.197 235 L CA -0.449 54.414 54.840 0.038 0.000 0.992 235 L CB 0.457 42.553 42.059 0.062 0.000 1.263 235 L HN -0.082 nan 8.230 nan 0.000 0.484 236 V N 0.884 120.807 119.914 0.015 0.000 2.572 236 V HA 0.209 4.329 4.120 0.001 0.000 0.291 236 V C 1.510 177.611 176.094 0.011 0.000 1.039 236 V CA 1.190 63.496 62.300 0.010 0.000 1.055 236 V CB 0.759 32.584 31.823 0.003 0.000 0.969 236 V HN 0.690 nan 8.190 nan 0.000 0.482 237 G N 4.582 113.388 108.800 0.011 0.000 2.353 237 G HA2 -0.337 3.623 3.960 0.001 0.000 0.258 237 G HA3 -0.337 3.623 3.960 0.001 0.000 0.258 237 G C 0.627 175.535 174.900 0.014 0.000 1.013 237 G CA 0.739 45.846 45.100 0.010 0.000 0.622 237 G HN 0.690 nan 8.290 nan 0.000 0.535 238 R N 1.842 122.353 120.500 0.019 0.000 2.500 238 R HA 0.522 4.862 4.340 0.001 0.000 0.275 238 R C -1.854 174.465 176.300 0.032 0.000 1.051 238 R CA -1.394 54.720 56.100 0.024 0.000 1.088 238 R CB 0.788 31.105 30.300 0.029 0.000 1.063 238 R HN 0.173 nan 8.270 nan 0.000 0.511 239 P HA 0.020 nan 4.420 nan 0.000 0.272 239 P C -0.778 176.561 177.300 0.064 0.000 1.223 239 P CA -0.166 62.959 63.100 0.042 0.000 0.784 239 P CB 0.677 32.398 31.700 0.034 0.000 0.923 240 T N -0.440 114.168 114.554 0.089 0.000 3.474 240 T HA 0.184 4.535 4.350 0.001 0.000 0.270 240 T C 0.274 175.096 174.700 0.202 0.000 1.079 240 T CA -0.503 61.688 62.100 0.152 0.000 1.110 240 T CB -0.657 68.310 68.868 0.165 0.000 1.087 240 T HN 0.194 nan 8.240 nan 0.000 0.784 241 K N 3.422 123.903 120.400 0.135 0.000 2.347 241 K HA 0.191 4.512 4.320 0.001 0.000 0.262 241 K C 0.585 177.227 176.600 0.071 0.000 1.052 241 K CA -0.706 55.609 56.287 0.046 0.000 0.946 241 K CB 0.696 33.191 32.500 -0.008 0.000 1.220 241 K HN 0.801 nan 8.250 nan 0.000 0.450 242 W N 3.104 124.450 121.300 0.076 0.000 2.996 242 W HA -0.033 4.628 4.660 0.001 0.000 0.270 242 W C 1.125 177.682 176.519 0.064 0.000 1.280 242 W CA -0.232 57.145 57.345 0.052 0.000 1.549 242 W CB -0.759 28.723 29.460 0.036 0.000 1.079 242 W HN 0.536 nan 8.180 nan 0.000 0.629 243 Y N 3.460 123.330 120.300 -0.717 0.000 2.069 243 Y HA -0.301 4.250 4.550 0.001 0.000 0.278 243 Y C 1.740 177.506 175.900 -0.224 0.000 1.175 243 Y CA 2.676 60.407 58.100 -0.614 0.000 1.134 243 Y CB -0.649 37.424 38.460 -0.646 0.000 0.965 243 Y HN -0.230 nan 8.280 nan 0.000 0.498 244 D N -0.117 120.247 120.400 -0.059 0.000 2.392 244 D HA -0.059 4.581 4.640 0.001 0.000 0.228 244 D C 1.592 177.848 176.300 -0.073 0.000 1.003 244 D CA 0.861 54.821 54.000 -0.067 0.000 0.917 244 D CB -0.117 40.698 40.800 0.025 0.000 0.890 244 D HN 0.439 nan 8.370 nan 0.000 0.532 245 L N -0.589 120.611 121.223 -0.039 0.000 2.609 245 L HA 0.150 4.491 4.340 0.001 0.000 0.230 245 L C 2.097 178.955 176.870 -0.020 0.000 1.087 245 L CA -0.009 54.830 54.840 -0.002 0.000 0.874 245 L CB 0.347 42.443 42.059 0.061 0.000 1.114 245 L HN -0.023 nan 8.230 nan 0.000 0.488 246 L N 0.483 121.683 121.223 -0.038 0.000 1.990 246 L HA -0.180 4.161 4.340 0.001 0.000 0.213 246 L C -0.221 176.585 176.870 -0.107 0.000 1.072 246 L CA 1.735 56.543 54.840 -0.054 0.000 0.755 246 L CB -1.781 40.243 42.059 -0.058 0.000 0.889 246 L HN 0.194 nan 8.230 nan 0.000 0.432 247 P HA -0.211 nan 4.420 nan 0.000 0.218 247 P C 1.895 179.140 177.300 -0.091 0.000 1.165 247 P CA 1.739 64.773 63.100 -0.110 0.000 0.922 247 P CB -0.149 31.490 31.700 -0.101 0.000 0.794 248 V N -0.901 118.970 119.914 -0.072 0.000 2.407 248 V HA -0.194 3.927 4.120 0.001 0.000 0.248 248 V C 2.590 178.639 176.094 -0.074 0.000 1.055 248 V CA 1.757 64.020 62.300 -0.060 0.000 1.049 248 V CB -1.396 30.404 31.823 -0.040 0.000 0.662 248 V HN -0.039 nan 8.190 nan 0.000 0.455 249 V N -0.176 119.694 119.914 -0.073 0.000 2.307 249 V HA -0.317 3.803 4.120 0.001 0.000 0.245 249 V C 2.499 178.512 176.094 -0.135 0.000 1.045 249 V CA 2.376 64.624 62.300 -0.087 0.000 1.024 249 V CB -0.613 31.172 31.823 -0.063 0.000 0.651 249 V HN 0.635 nan 8.190 nan 0.000 0.449 250 Q N -0.318 119.388 119.800 -0.157 0.000 2.014 250 Q HA -0.295 4.045 4.340 0.001 0.000 0.207 250 Q C 2.310 178.145 176.000 -0.274 0.000 0.993 250 Q CA 2.639 58.301 55.803 -0.235 0.000 0.850 250 Q CB -0.326 28.273 28.738 -0.232 0.000 0.916 250 Q HN 0.543 nan 8.270 nan 0.000 0.417 251 L N 0.685 121.790 121.223 -0.197 0.000 1.989 251 L HA -0.174 4.166 4.340 0.001 0.000 0.211 251 L C 2.335 179.096 176.870 -0.181 0.000 1.071 251 L CA 2.462 57.197 54.840 -0.174 0.000 0.749 251 L CB -0.838 41.158 42.059 -0.105 0.000 0.890 251 L HN 0.326 nan 8.230 nan 0.000 0.431 252 A N -0.664 122.068 122.820 -0.147 0.000 1.908 252 A HA -0.173 4.147 4.320 0.001 0.000 0.218 252 A C 2.274 179.766 177.584 -0.154 0.000 1.181 252 A CA 2.081 54.041 52.037 -0.129 0.000 0.627 252 A CB -0.901 18.041 19.000 -0.096 0.000 0.818 252 A HN 0.531 nan 8.150 nan 0.000 0.445 253 L N -0.473 120.641 121.223 -0.183 0.000 2.027 253 L HA -0.173 4.167 4.340 0.001 0.000 0.206 253 L C 2.256 178.981 176.870 -0.243 0.000 1.074 253 L CA 1.164 55.888 54.840 -0.193 0.000 0.745 253 L CB -0.668 41.272 42.059 -0.197 0.000 0.898 253 L HN 0.363 nan 8.230 nan 0.000 0.433 254 N N 0.268 118.747 118.700 -0.369 0.000 2.192 254 N HA -0.190 4.550 4.740 0.001 0.000 0.188 254 N C 0.984 176.368 175.510 -0.210 0.000 1.013 254 N CA 1.142 53.916 53.050 -0.460 0.000 0.863 254 N CB -0.382 37.567 38.487 -0.897 0.000 0.990 254 N HN 0.319 nan 8.380 nan 0.000 0.430 255 N N 0.272 118.854 118.700 -0.197 0.000 2.376 255 N HA 0.083 4.823 4.740 0.001 0.000 0.249 255 N C -0.770 174.612 175.510 -0.214 0.000 1.140 255 N CA 0.195 53.131 53.050 -0.189 0.000 0.870 255 N CB 0.612 38.978 38.487 -0.201 0.000 1.124 255 N HN -0.003 nan 8.380 nan 0.000 0.505 256 T N 0.359 114.800 114.554 -0.189 0.000 2.812 256 T HA 0.307 4.657 4.350 0.001 0.000 0.282 256 T C -0.323 174.310 174.700 -0.112 0.000 0.990 256 T CA -0.359 61.655 62.100 -0.144 0.000 0.960 256 T CB 1.053 69.868 68.868 -0.088 0.000 0.948 256 T HN 0.013 nan 8.240 nan 0.000 0.438 257 Y N 2.025 122.305 120.300 -0.033 0.000 2.620 257 Y HA 0.154 4.704 4.550 0.001 0.000 0.330 257 Y C 1.371 177.258 175.900 -0.021 0.000 1.186 257 Y CA 0.201 58.289 58.100 -0.020 0.000 1.467 257 Y CB 0.536 38.965 38.460 -0.052 0.000 1.262 257 Y HN 0.495 nan 8.280 nan 0.000 0.550 258 S N 5.926 121.725 115.700 0.164 0.000 2.448 258 S HA 0.162 4.632 4.470 0.001 0.000 0.279 258 S C -1.611 173.044 174.600 0.091 0.000 1.195 258 S CA -1.515 56.746 58.200 0.103 0.000 1.051 258 S CB 0.668 63.927 63.200 0.098 0.000 0.948 258 S HN 0.436 nan 8.310 nan 0.000 0.493 259 P HA -0.150 nan 4.420 nan 0.000 0.216 259 P C 1.495 178.769 177.300 -0.044 0.000 1.153 259 P CA 1.262 64.347 63.100 -0.026 0.000 0.858 259 P CB -0.154 31.516 31.700 -0.050 0.000 0.789 260 V N -4.192 115.688 119.914 -0.056 0.000 3.380 260 V HA -0.023 4.097 4.120 0.001 0.000 0.268 260 V C 1.680 177.773 176.094 -0.003 0.000 1.168 260 V CA 1.399 63.624 62.300 -0.126 0.000 1.156 260 V CB -1.305 30.347 31.823 -0.285 0.000 0.785 260 V HN 0.041 nan 8.190 nan 0.000 0.487 261 L N -1.096 120.186 121.223 0.099 0.000 2.537 261 L HA 0.336 4.676 4.340 0.001 0.000 0.224 261 L C 1.409 178.438 176.870 0.265 0.000 1.065 261 L CA 0.127 55.102 54.840 0.225 0.000 0.860 261 L CB 0.031 42.246 42.059 0.259 0.000 1.086 261 L HN 0.210 nan 8.230 nan 0.000 0.482 262 K N -1.573 118.888 120.400 0.102 0.000 3.500 262 K HA -0.208 4.112 4.320 0.001 0.000 0.313 262 K C -0.981 175.514 176.600 -0.174 0.000 1.338 262 K CA 1.128 57.344 56.287 -0.119 0.000 0.963 262 K CB -2.383 29.959 32.500 -0.263 0.000 1.267 262 K HN 0.287 nan 8.250 nan 0.000 0.448 263 Y N 0.282 120.777 120.300 0.324 0.000 2.492 263 Y HA 0.326 4.876 4.550 0.001 0.000 0.346 263 Y C 0.828 176.798 175.900 0.116 0.000 0.997 263 Y CA -0.593 57.682 58.100 0.292 0.000 1.025 263 Y CB 1.782 40.347 38.460 0.176 0.000 1.263 263 Y HN 0.080 nan 8.280 nan 0.000 0.454 264 T N -0.686 113.888 114.554 0.033 0.000 2.910 264 T HA 0.225 4.576 4.350 0.001 0.000 0.293 264 T C -2.215 172.551 174.700 0.111 0.000 1.015 264 T CA -1.907 60.144 62.100 -0.082 0.000 1.094 264 T CB 1.524 70.214 68.868 -0.297 0.000 0.968 264 T HN 0.318 nan 8.240 nan 0.000 0.521 265 P HA -0.180 nan 4.420 nan 0.000 0.217 265 P C 1.435 178.957 177.300 0.370 0.000 1.148 265 P CA 1.054 64.256 63.100 0.171 0.000 0.828 265 P CB -0.148 31.583 31.700 0.052 0.000 0.783 266 H N 0.370 119.623 119.070 0.305 0.000 2.290 266 H HA -0.160 4.397 4.556 0.001 0.000 0.298 266 H C 1.823 177.370 175.328 0.366 0.000 1.087 266 H CA 1.982 58.303 56.048 0.454 0.000 1.291 266 H CB -0.311 29.588 29.762 0.230 0.000 1.369 266 H HN 0.150 nan 8.280 nan 0.000 0.492 267 Q N 0.164 120.205 119.800 0.402 0.000 2.061 267 Q HA -0.120 4.220 4.340 0.001 0.000 0.204 267 Q C 2.769 178.877 176.000 0.181 0.000 0.984 267 Q CA 1.571 57.568 55.803 0.323 0.000 0.846 267 Q CB -0.051 28.902 28.738 0.360 0.000 0.902 267 Q HN 0.447 nan 8.270 nan 0.000 0.421 268 L N 0.165 121.466 121.223 0.129 0.000 2.450 268 L HA -0.145 4.196 4.340 0.001 0.000 0.224 268 L C 1.927 178.781 176.870 -0.027 0.000 1.149 268 L CA 0.247 55.096 54.840 0.014 0.000 0.816 268 L CB -0.135 41.940 42.059 0.026 0.000 0.932 268 L HN 0.248 nan 8.230 nan 0.000 0.449 269 L N -2.313 118.891 121.223 -0.031 0.000 2.515 269 L HA 0.165 4.505 4.340 0.001 0.000 0.223 269 L C 1.266 177.811 176.870 -0.543 0.000 1.079 269 L CA 1.337 55.989 54.840 -0.314 0.000 0.857 269 L CB 0.270 42.025 42.059 -0.507 0.000 1.050 269 L HN -0.005 nan 8.230 nan 0.000 0.476 270 F N -1.772 118.101 119.950 -0.128 0.000 2.856 270 F HA 0.454 4.981 4.527 0.001 0.000 0.338 270 F C 1.866 177.660 175.800 -0.009 0.000 1.005 270 F CA 0.371 58.308 58.000 -0.105 0.000 1.155 270 F CB 0.263 39.122 39.000 -0.234 0.000 1.010 270 F HN -0.059 nan 8.300 nan 0.000 0.587 271 G N 1.446 110.361 108.800 0.192 0.000 2.267 271 G HA2 -0.298 3.663 3.960 0.001 0.000 0.257 271 G HA3 -0.298 3.663 3.960 0.001 0.000 0.257 271 G C 0.036 175.052 174.900 0.193 0.000 0.998 271 G CA 0.500 45.694 45.100 0.157 0.000 0.620 271 G HN 0.322 nan 8.290 nan 0.000 0.529 272 I N -1.720 118.990 120.570 0.233 0.000 2.865 272 I HA 0.695 4.865 4.170 0.001 0.000 0.302 272 I C -0.736 175.550 176.117 0.283 0.000 1.140 272 I CA -2.232 59.195 61.300 0.212 0.000 1.021 272 I CB 1.284 39.374 38.000 0.150 0.000 1.233 272 I HN -0.142 nan 8.210 nan 0.000 0.427 273 D N 2.335 122.843 120.400 0.179 0.000 2.382 273 D HA 0.276 4.917 4.640 0.001 0.000 0.240 273 D C 0.569 176.873 176.300 0.008 0.000 1.146 273 D CA 0.203 54.209 54.000 0.012 0.000 0.897 273 D CB 1.097 41.858 40.800 -0.066 0.000 1.197 273 D HN 0.817 nan 8.370 nan 0.000 0.432 274 S N 1.217 116.812 115.700 -0.174 0.000 2.393 274 S HA 0.064 4.535 4.470 0.001 0.000 0.255 274 S C 0.550 175.095 174.600 -0.091 0.000 1.210 274 S CA -0.576 57.577 58.200 -0.077 0.000 1.013 274 S CB 0.145 63.309 63.200 -0.060 0.000 1.055 274 S HN 0.373 nan 8.310 nan 0.000 0.483 275 N N 1.940 120.600 118.700 -0.067 0.000 3.298 275 N HA 0.259 4.999 4.740 0.001 0.000 0.292 275 N C -0.898 174.573 175.510 -0.066 0.000 1.271 275 N CA -0.214 52.803 53.050 -0.055 0.000 1.184 275 N CB -0.690 37.776 38.487 -0.034 0.000 1.452 275 N HN 0.715 nan 8.380 nan 0.000 0.534 276 T N -0.741 113.760 114.554 -0.089 0.000 2.885 276 T HA 0.559 4.909 4.350 0.001 0.000 0.285 276 T C -2.619 172.061 174.700 -0.033 0.000 1.019 276 T CA -2.112 59.942 62.100 -0.075 0.000 1.010 276 T CB 1.416 70.207 68.868 -0.127 0.000 1.022 276 T HN 0.021 nan 8.240 nan 0.000 0.466 277 P HA 0.061 nan 4.420 nan 0.000 0.263 277 P C -0.162 177.263 177.300 0.209 0.000 1.162 277 P CA 0.405 63.546 63.100 0.069 0.000 0.758 277 P CB -0.328 31.468 31.700 0.161 0.000 0.773 278 F N -1.281 118.657 119.950 -0.021 0.000 2.983 278 F HA -0.222 4.305 4.527 0.001 0.000 0.288 278 F C 0.802 176.602 175.800 -0.001 0.000 0.980 278 F CA 0.391 58.389 58.000 -0.002 0.000 0.965 278 F CB -1.906 37.102 39.000 0.013 0.000 0.967 278 F HN 0.321 nan 8.300 nan 0.000 0.800 279 A N 1.437 124.290 122.820 0.054 0.000 2.396 279 A HA 0.313 4.633 4.320 0.001 0.000 0.279 279 A C 0.605 178.225 177.584 0.060 0.000 1.165 279 A CA -0.277 51.779 52.037 0.031 0.000 0.824 279 A CB 0.196 19.188 19.000 -0.014 0.000 1.100 279 A HN 0.484 nan 8.150 nan 0.000 0.516 280 N N 2.742 121.497 118.700 0.091 0.000 2.475 280 N HA 0.008 4.748 4.740 0.001 0.000 0.267 280 N C 0.572 176.133 175.510 0.084 0.000 1.169 280 N CA 0.154 53.269 53.050 0.109 0.000 0.947 280 N CB 0.833 39.417 38.487 0.162 0.000 1.061 280 N HN 0.775 nan 8.380 nan 0.000 0.466 281 Q N 1.897 121.739 119.800 0.070 0.000 2.171 281 Q HA 0.104 4.444 4.340 0.001 0.000 0.218 281 Q C -0.432 175.604 176.000 0.061 0.000 0.822 281 Q CA -0.244 55.593 55.803 0.057 0.000 0.987 281 Q CB 0.108 28.868 28.738 0.037 0.000 1.144 281 Q HN 0.425 nan 8.270 nan 0.000 0.494 282 D N 2.651 123.093 120.400 0.071 0.000 2.190 282 D HA -0.147 4.493 4.640 0.001 0.000 0.200 282 D C 1.209 177.550 176.300 0.069 0.000 0.992 282 D CA 2.257 56.297 54.000 0.066 0.000 0.854 282 D CB -0.027 40.818 40.800 0.073 0.000 0.936 282 D HN 0.528 nan 8.370 nan 0.000 0.462 283 T N -1.868 112.735 114.554 0.081 0.000 3.284 283 T HA 0.231 4.581 4.350 0.001 0.000 0.249 283 T C 1.306 176.045 174.700 0.064 0.000 0.944 283 T CA -0.387 61.758 62.100 0.077 0.000 0.919 283 T CB -0.216 68.709 68.868 0.095 0.000 1.089 283 T HN -0.045 nan 8.240 nan 0.000 0.576 284 L N 1.043 122.298 121.223 0.053 0.000 2.109 284 L HA 0.139 4.480 4.340 0.001 0.000 0.207 284 L C 1.448 178.341 176.870 0.038 0.000 1.086 284 L CA 1.754 56.621 54.840 0.044 0.000 0.760 284 L CB -0.074 42.006 42.059 0.036 0.000 0.910 284 L HN 0.180 nan 8.230 nan 0.000 0.437 285 D N -0.856 119.565 120.400 0.036 0.000 2.333 285 D HA 0.113 4.753 4.640 0.001 0.000 0.208 285 D C 0.643 176.961 176.300 0.030 0.000 0.984 285 D CA 0.249 54.267 54.000 0.030 0.000 0.873 285 D CB 0.019 40.835 40.800 0.026 0.000 0.935 285 D HN 0.223 nan 8.370 nan 0.000 0.521 286 L N 1.226 122.470 121.223 0.036 0.000 2.473 286 L HA 0.192 4.533 4.340 0.001 0.000 0.268 286 L C 1.208 178.098 176.870 0.033 0.000 1.215 286 L CA -0.439 54.421 54.840 0.035 0.000 0.823 286 L CB -0.097 41.986 42.059 0.040 0.000 1.099 286 L HN -0.006 nan 8.230 nan 0.000 0.483 287 T N -1.536 113.036 114.554 0.029 0.000 2.802 287 T HA 0.050 4.400 4.350 0.001 0.000 0.305 287 T C 1.028 175.749 174.700 0.033 0.000 1.053 287 T CA -0.510 61.607 62.100 0.028 0.000 1.058 287 T CB 1.011 69.893 68.868 0.023 0.000 0.988 287 T HN 0.634 nan 8.240 nan 0.000 0.539 288 R N 0.869 121.389 120.500 0.034 0.000 2.139 288 R HA -0.122 4.219 4.340 0.001 0.000 0.243 288 R C 2.195 178.515 176.300 0.034 0.000 1.145 288 R CA 1.949 58.072 56.100 0.039 0.000 0.976 288 R CB -0.793 29.530 30.300 0.039 0.000 0.866 288 R HN 0.874 nan 8.270 nan 0.000 0.449 289 E N 0.122 120.338 120.200 0.026 0.000 2.046 289 E HA -0.170 4.181 4.350 0.001 0.000 0.190 289 E C 1.817 178.430 176.600 0.022 0.000 0.982 289 E CA 1.332 57.745 56.400 0.021 0.000 0.800 289 E CB -0.153 29.556 29.700 0.016 0.000 0.756 289 E HN 0.555 nan 8.360 nan 0.000 0.449 290 E N 0.677 120.892 120.200 0.025 0.000 2.333 290 E HA -0.178 4.173 4.350 0.001 0.000 0.198 290 E C 1.968 178.587 176.600 0.033 0.000 1.007 290 E CA 0.653 57.069 56.400 0.026 0.000 0.845 290 E CB 0.081 29.797 29.700 0.027 0.000 0.766 290 E HN 0.292 nan 8.360 nan 0.000 0.507 291 E N 0.649 120.872 120.200 0.038 0.000 2.057 291 E HA -0.056 4.294 4.350 0.001 0.000 0.190 291 E C 2.030 178.656 176.600 0.043 0.000 0.969 291 E CA 0.089 56.518 56.400 0.049 0.000 0.812 291 E CB 0.106 29.841 29.700 0.058 0.000 0.777 291 E HN 0.155 nan 8.360 nan 0.000 0.455 292 L N 1.493 122.738 121.223 0.037 0.000 2.261 292 L HA -0.179 4.161 4.340 0.001 0.000 0.216 292 L C 2.677 179.556 176.870 0.015 0.000 1.114 292 L CA 1.353 56.208 54.840 0.026 0.000 0.777 292 L CB -0.325 41.746 42.059 0.021 0.000 0.910 292 L HN 0.257 nan 8.230 nan 0.000 0.440 293 S N -0.067 115.644 115.700 0.017 0.000 2.345 293 S HA -0.203 4.267 4.470 0.001 0.000 0.219 293 S C 1.940 176.547 174.600 0.012 0.000 1.031 293 S CA 0.863 59.071 58.200 0.012 0.000 0.984 293 S CB -0.773 62.435 63.200 0.014 0.000 0.874 293 S HN 0.283 nan 8.310 nan 0.000 0.451 294 L N 1.378 122.614 121.223 0.022 0.000 2.081 294 L HA -0.030 4.311 4.340 0.001 0.000 0.212 294 L C 2.294 179.169 176.870 0.008 0.000 1.080 294 L CA 1.723 56.579 54.840 0.027 0.000 0.754 294 L CB -1.013 41.075 42.059 0.047 0.000 0.893 294 L HN 0.444 nan 8.230 nan 0.000 0.433 295 L N -0.260 120.965 121.223 0.002 0.000 2.012 295 L HA -0.237 4.103 4.340 0.001 0.000 0.210 295 L C 2.545 179.391 176.870 -0.041 0.000 1.073 295 L CA 1.890 56.712 54.840 -0.030 0.000 0.748 295 L CB -0.943 41.107 42.059 -0.015 0.000 0.891 295 L HN 0.474 nan 8.230 nan 0.000 0.431 296 Q N -0.478 119.309 119.800 -0.022 0.000 2.197 296 Q HA -0.284 4.056 4.340 0.001 0.000 0.207 296 Q C 2.070 178.057 176.000 -0.022 0.000 0.984 296 Q CA 1.878 57.669 55.803 -0.021 0.000 0.869 296 Q CB -0.435 28.297 28.738 -0.012 0.000 0.906 296 Q HN 0.645 nan 8.270 nan 0.000 0.426 297 E N 1.186 121.376 120.200 -0.016 0.000 2.028 297 E HA -0.076 4.274 4.350 0.001 0.000 0.190 297 E C 1.988 178.576 176.600 -0.021 0.000 0.984 297 E CA 0.725 57.120 56.400 -0.009 0.000 0.800 297 E CB -0.249 29.456 29.700 0.008 0.000 0.758 297 E HN 0.342 nan 8.360 nan 0.000 0.448 298 I N 0.462 121.000 120.570 -0.054 0.000 2.118 298 I HA -0.354 3.817 4.170 0.001 0.000 0.241 298 I C 2.554 178.613 176.117 -0.098 0.000 1.070 298 I CA 1.689 62.920 61.300 -0.115 0.000 1.327 298 I CB -0.342 37.459 38.000 -0.332 0.000 1.034 298 I HN 0.064 nan 8.210 nan 0.000 0.405 299 R N 0.282 120.724 120.500 -0.097 0.000 2.154 299 R HA -0.198 4.143 4.340 0.001 0.000 0.248 299 R C 2.396 178.678 176.300 -0.029 0.000 1.155 299 R CA 2.208 58.272 56.100 -0.060 0.000 0.979 299 R CB -0.779 29.491 30.300 -0.049 0.000 0.869 299 R HN 0.618 nan 8.270 nan 0.000 0.452 300 T N -1.800 112.740 114.554 -0.024 0.000 2.809 300 T HA -0.058 4.292 4.350 0.001 0.000 0.260 300 T C 1.362 176.059 174.700 -0.004 0.000 1.039 300 T CA 0.871 62.962 62.100 -0.016 0.000 1.141 300 T CB -0.110 68.750 68.868 -0.013 0.000 0.869 300 T HN 0.191 nan 8.240 nan 0.000 0.437 301 S N 1.806 117.512 115.700 0.011 0.000 3.315 301 S HA 0.592 5.063 4.470 0.001 0.000 0.195 301 S C -0.338 174.302 174.600 0.067 0.000 1.394 301 S CA -0.891 57.331 58.200 0.036 0.000 0.983 301 S CB -0.654 62.572 63.200 0.044 0.000 1.370 301 S HN 0.414 nan 8.310 nan 0.000 0.491 302 L N 2.791 124.056 121.223 0.069 0.000 2.325 302 L HA 0.481 4.821 4.340 0.001 0.000 0.278 302 L C 0.044 177.010 176.870 0.160 0.000 1.023 302 L CA -1.405 53.511 54.840 0.126 0.000 0.811 302 L CB 1.220 43.343 42.059 0.106 0.000 1.249 302 L HN 0.617 nan 8.230 nan 0.000 0.431 303 Y N 2.812 123.176 120.300 0.108 0.000 2.904 303 Y HA -0.066 4.484 4.550 0.001 0.000 0.336 303 Y C -0.542 175.446 175.900 0.147 0.000 1.263 303 Y CA 0.441 58.604 58.100 0.104 0.000 1.547 303 Y CB 0.079 38.584 38.460 0.074 0.000 1.272 303 Y HN 0.495 nan 8.280 nan 0.000 0.596 304 H N 6.847 125.341 119.070 -0.960 0.000 2.856 304 H HA 0.458 5.014 4.556 0.001 0.000 0.355 304 H C -2.676 172.103 175.328 -0.915 0.000 1.079 304 H CA -2.031 53.549 56.048 -0.779 0.000 1.240 304 H CB 1.533 31.109 29.762 -0.311 0.000 1.701 304 H HN 0.545 nan 8.280 nan 0.000 0.527 305 P HA 0.208 nan 4.420 nan 0.000 0.278 305 P C -0.860 176.302 177.300 -0.229 0.000 1.238 305 P CA -0.592 62.247 63.100 -0.435 0.000 0.794 305 P CB 1.516 33.077 31.700 -0.232 0.000 0.955 306 S N -0.120 115.533 115.700 -0.078 0.000 2.638 306 S HA 0.437 4.907 4.470 0.001 0.000 0.298 306 S C 0.220 174.814 174.600 -0.011 0.000 1.111 306 S CA -0.563 57.629 58.200 -0.014 0.000 1.027 306 S CB 0.592 63.798 63.200 0.009 0.000 1.064 306 S HN 0.683 nan 8.310 nan 0.000 0.525 307 T N 1.085 115.640 114.554 0.002 0.000 2.923 307 T HA 0.209 4.560 4.350 0.001 0.000 0.304 307 T C -1.964 172.739 174.700 0.005 0.000 1.044 307 T CA -0.690 61.411 62.100 0.003 0.000 1.141 307 T CB -0.722 68.149 68.868 0.005 0.000 1.023 307 T HN 0.626 nan 8.240 nan 0.000 0.533 308 P HA 0.360 nan 4.420 nan 0.000 0.276 308 P C -2.505 174.801 177.300 0.009 0.000 1.252 308 P CA -1.738 61.368 63.100 0.010 0.000 0.802 308 P CB -0.485 31.221 31.700 0.011 0.000 1.035 309 P HA 0.101 nan 4.420 nan 0.000 0.269 309 P C -0.255 177.051 177.300 0.010 0.000 1.215 309 P CA -0.057 63.049 63.100 0.011 0.000 0.780 309 P CB 0.229 31.937 31.700 0.013 0.000 0.898 310 A N 2.326 125.150 122.820 0.008 0.000 2.466 310 A HA 0.262 4.582 4.320 0.001 0.000 0.238 310 A C 0.792 178.387 177.584 0.018 0.000 1.074 310 A CA -0.020 52.022 52.037 0.008 0.000 0.774 310 A CB -0.406 18.597 19.000 0.005 0.000 1.015 310 A HN 0.592 nan 8.150 nan 0.000 0.498 311 S N 1.362 117.077 115.700 0.025 0.000 2.548 311 S HA 0.211 4.682 4.470 0.001 0.000 0.277 311 S C 1.325 175.949 174.600 0.039 0.000 1.315 311 S CA -0.012 58.208 58.200 0.035 0.000 1.050 311 S CB 0.386 63.613 63.200 0.045 0.000 0.918 311 S HN 0.933 nan 8.310 nan 0.000 0.497 312 S N 4.312 120.033 115.700 0.036 0.000 2.421 312 S HA -0.151 4.319 4.470 0.001 0.000 0.239 312 S C 0.945 175.573 174.600 0.046 0.000 1.054 312 S CA 1.228 59.450 58.200 0.036 0.000 1.035 312 S CB -0.381 62.838 63.200 0.032 0.000 0.840 312 S HN 0.784 nan 8.310 nan 0.000 0.475 313 R N 1.371 121.905 120.500 0.057 0.000 2.795 313 R HA 0.307 4.648 4.340 0.001 0.000 0.320 313 R C -0.065 176.300 176.300 0.109 0.000 1.223 313 R CA 0.003 56.146 56.100 0.072 0.000 1.305 313 R CB 0.457 30.793 30.300 0.060 0.000 1.318 313 R HN 0.495 nan 8.270 nan 0.000 0.636 314 S N 0.007 115.775 115.700 0.113 0.000 2.666 314 S HA 0.657 5.128 4.470 0.001 0.000 0.279 314 S C -0.024 174.726 174.600 0.249 0.000 1.149 314 S CA -0.634 57.662 58.200 0.159 0.000 1.020 314 S CB 1.485 64.723 63.200 0.062 0.000 1.127 314 S HN 0.462 nan 8.310 nan 0.000 0.537 315 W N -1.152 120.155 121.300 0.012 0.000 3.217 315 W HA 0.731 5.391 4.660 0.001 0.000 0.323 315 W C -1.796 174.730 176.519 0.013 0.000 1.216 315 W CA -0.854 56.495 57.345 0.007 0.000 1.194 315 W CB 0.745 30.202 29.460 -0.005 0.000 1.397 315 W HN 0.614 nan 8.180 nan 0.000 0.537 316 S N 2.805 118.456 115.700 -0.083 0.000 2.542 316 S HA 0.687 5.158 4.470 0.001 0.000 0.293 316 S C -2.594 171.959 174.600 -0.079 0.000 1.089 316 S CA -1.036 56.969 58.200 -0.324 0.000 0.961 316 S CB 2.347 65.433 63.200 -0.190 0.000 1.062 316 S HN 0.258 nan 8.310 nan 0.000 0.483 317 P HA 0.401 nan 4.420 nan 0.000 0.287 317 P C -1.122 176.226 177.300 0.081 0.000 1.281 317 P CA -0.401 62.762 63.100 0.104 0.000 0.781 317 P CB 0.686 32.413 31.700 0.044 0.000 0.903 318 V N 3.398 123.385 119.914 0.122 0.000 2.850 318 V HA 0.298 4.418 4.120 0.001 0.000 0.315 318 V C 0.655 176.794 176.094 0.074 0.000 1.064 318 V CA -1.102 61.244 62.300 0.076 0.000 0.979 318 V CB 1.809 33.673 31.823 0.069 0.000 1.039 318 V HN 0.285 nan 8.190 nan 0.000 0.452 319 V N 2.050 121.995 119.914 0.052 0.000 2.788 319 V HA 0.372 4.492 4.120 0.001 0.000 0.307 319 V C 1.561 177.683 176.094 0.046 0.000 1.069 319 V CA 1.212 63.540 62.300 0.047 0.000 1.173 319 V CB 0.035 31.879 31.823 0.034 0.000 0.925 319 V HN 1.424 nan 8.190 nan 0.000 0.492 320 G N 2.560 111.386 108.800 0.045 0.000 2.166 320 G HA2 -0.306 3.655 3.960 0.001 0.000 0.260 320 G HA3 -0.306 3.655 3.960 0.001 0.000 0.260 320 G C 0.279 175.201 174.900 0.037 0.000 0.986 320 G CA 0.668 45.790 45.100 0.037 0.000 0.683 320 G HN 0.889 nan 8.290 nan 0.000 0.527 321 Q N -0.507 119.323 119.800 0.050 0.000 2.340 321 Q HA 0.581 4.921 4.340 0.001 0.000 0.249 321 Q C 0.387 176.402 176.000 0.026 0.000 0.957 321 Q CA -0.659 55.171 55.803 0.045 0.000 0.882 321 Q CB 0.408 29.196 28.738 0.084 0.000 1.235 321 Q HN 0.386 nan 8.270 nan 0.000 0.439 322 L N 3.807 125.024 121.223 -0.010 0.000 2.319 322 L HA 0.361 4.702 4.340 0.001 0.000 0.280 322 L C -0.851 175.970 176.870 -0.081 0.000 1.099 322 L CA -0.319 54.500 54.840 -0.034 0.000 0.828 322 L CB 1.135 43.165 42.059 -0.049 0.000 1.150 322 L HN 0.415 nan 8.230 nan 0.000 0.442 323 V N 3.345 123.227 119.914 -0.054 0.000 2.932 323 V HA 0.400 4.521 4.120 0.001 0.000 0.307 323 V C -0.758 175.321 176.094 -0.024 0.000 1.147 323 V CA -0.767 61.488 62.300 -0.076 0.000 0.951 323 V CB 2.330 34.176 31.823 0.038 0.000 1.031 323 V HN 0.742 nan 8.190 nan 0.000 0.426 324 Q N 1.874 121.639 119.800 -0.057 0.000 2.399 324 Q HA 0.669 5.010 4.340 0.001 0.000 0.276 324 Q C -1.031 175.137 176.000 0.280 0.000 1.098 324 Q CA -0.782 55.068 55.803 0.079 0.000 0.827 324 Q CB 3.101 31.844 28.738 0.008 0.000 1.386 324 Q HN 0.740 nan 8.270 nan 0.000 0.443 325 E N 1.488 121.946 120.200 0.430 0.000 2.158 325 E HA 0.251 4.601 4.350 0.001 0.000 0.271 325 E C -0.924 176.000 176.600 0.539 0.000 0.911 325 E CA -0.901 55.786 56.400 0.478 0.000 0.767 325 E CB 1.151 31.058 29.700 0.344 0.000 1.120 325 E HN 0.398 nan 8.360 nan 0.000 0.405 326 R N 3.221 123.917 120.500 0.328 0.000 2.504 326 R HA -0.005 4.336 4.340 0.001 0.000 0.291 326 R C -0.996 175.234 176.300 -0.115 0.000 0.974 326 R CA -0.019 55.923 56.100 -0.263 0.000 1.077 326 R CB 0.133 30.252 30.300 -0.301 0.000 0.926 326 R HN 0.253 nan 8.270 nan 0.000 0.407 327 V N 6.708 126.420 119.914 -0.336 0.000 2.540 327 V HA -0.010 4.111 4.120 0.001 0.000 0.297 327 V C 1.800 177.751 176.094 -0.238 0.000 1.024 327 V CA 0.680 62.794 62.300 -0.309 0.000 1.105 327 V CB 0.130 31.648 31.823 -0.509 0.000 0.938 327 V HN 1.100 nan 8.190 nan 0.000 0.482 328 A N 6.158 128.921 122.820 -0.094 0.000 1.912 328 A HA -0.187 4.134 4.320 0.001 0.000 0.217 328 A C 1.325 178.661 177.584 -0.414 0.000 1.309 328 A CA 1.734 53.566 52.037 -0.342 0.000 0.726 328 A CB -0.254 18.748 19.000 0.004 0.000 0.840 328 A HN 0.786 nan 8.150 nan 0.000 0.473 329 R N 0.023 120.401 120.500 -0.203 0.000 2.487 329 R HA 0.361 4.701 4.340 0.001 0.000 0.288 329 R C -2.856 173.364 176.300 -0.134 0.000 1.394 329 R CA -1.490 54.511 56.100 -0.165 0.000 1.155 329 R CB 1.394 31.640 30.300 -0.089 0.000 1.156 329 R HN 0.454 nan 8.270 nan 0.000 0.553 330 P HA 0.180 nan 4.420 nan 0.000 0.275 330 P C -0.368 176.862 177.300 -0.116 0.000 1.227 330 P CA -0.321 62.679 63.100 -0.166 0.000 0.781 330 P CB 1.214 32.786 31.700 -0.214 0.000 0.906 331 A N 2.351 125.113 122.820 -0.095 0.000 2.310 331 A HA 0.288 4.608 4.320 0.001 0.000 0.260 331 A C 0.618 178.161 177.584 -0.069 0.000 1.112 331 A CA -0.297 51.698 52.037 -0.069 0.000 0.804 331 A CB -0.368 18.600 19.000 -0.053 0.000 1.081 331 A HN 0.568 nan 8.150 nan 0.000 0.499 332 S N -0.784 114.884 115.700 -0.052 0.000 2.531 332 S HA 0.369 4.840 4.470 0.001 0.000 0.279 332 S C 0.711 175.284 174.600 -0.045 0.000 1.305 332 S CA 0.176 58.348 58.200 -0.047 0.000 1.058 332 S CB -0.734 62.444 63.200 -0.036 0.000 0.899 332 S HN 1.046 nan 8.310 nan 0.000 0.493 333 L N 1.796 122.992 121.223 -0.046 0.000 4.696 333 L HA -0.198 4.142 4.340 0.001 0.000 0.425 333 L C 0.226 177.066 176.870 -0.050 0.000 1.115 333 L CA 0.522 55.337 54.840 -0.042 0.000 0.996 333 L CB -1.056 40.984 42.059 -0.031 0.000 2.077 333 L HN 0.595 nan 8.230 nan 0.000 0.792 334 R N 0.366 120.827 120.500 -0.065 0.000 2.668 334 R HA 0.587 4.927 4.340 0.001 0.000 0.279 334 R C -2.061 174.180 176.300 -0.099 0.000 0.976 334 R CA -1.931 54.122 56.100 -0.078 0.000 0.978 334 R CB 0.504 30.752 30.300 -0.085 0.000 1.133 334 R HN -0.179 nan 8.270 nan 0.000 0.484 335 P HA 0.237 nan 4.420 nan 0.000 0.269 335 P C 0.086 177.280 177.300 -0.178 0.000 1.209 335 P CA -0.186 62.858 63.100 -0.093 0.000 0.776 335 P CB 0.660 32.323 31.700 -0.062 0.000 0.876 336 R N 0.448 120.816 120.500 -0.220 0.000 2.310 336 R HA 0.124 4.465 4.340 0.001 0.000 0.202 336 R C -0.390 175.438 176.300 -0.788 0.000 0.933 336 R CA 0.298 56.101 56.100 -0.496 0.000 1.054 336 R CB 0.081 30.052 30.300 -0.547 0.000 0.985 336 R HN 0.542 nan 8.270 nan 0.000 0.489 337 W N -0.282 120.915 121.300 -0.171 0.000 2.819 337 W HA 0.364 5.024 4.660 0.001 0.000 0.337 337 W C 0.339 176.723 176.519 -0.224 0.000 1.077 337 W CA -0.913 56.340 57.345 -0.154 0.000 1.226 337 W CB 0.757 30.169 29.460 -0.080 0.000 1.419 337 W HN -0.065 nan 8.180 nan 0.000 0.502 338 H N 1.174 120.328 119.070 0.139 0.000 2.603 338 H HA 0.291 4.848 4.556 0.001 0.000 0.370 338 H C 0.629 175.969 175.328 0.020 0.000 1.225 338 H CA -0.005 56.024 56.048 -0.033 0.000 1.410 338 H CB 0.431 30.100 29.762 -0.155 0.000 1.495 338 H HN 0.524 nan 8.280 nan 0.000 0.602 339 K N 2.716 123.181 120.400 0.108 0.000 2.527 339 K HA 0.067 4.387 4.320 0.001 0.000 0.278 339 K C -2.364 174.294 176.600 0.096 0.000 0.981 339 K CA -1.017 55.318 56.287 0.079 0.000 1.009 339 K CB -1.296 31.246 32.500 0.070 0.000 0.895 339 K HN 0.444 nan 8.250 nan 0.000 0.493 340 P HA 0.196 nan 4.420 nan 0.000 0.270 340 P C -0.534 176.797 177.300 0.052 0.000 1.223 340 P CA -0.137 62.981 63.100 0.030 0.000 0.785 340 P CB 0.928 32.618 31.700 -0.016 0.000 0.923 341 S N -0.503 115.226 115.700 0.047 0.000 2.903 341 S HA 0.679 5.150 4.470 0.001 0.000 0.314 341 S C -0.792 173.834 174.600 0.043 0.000 1.177 341 S CA -0.561 57.674 58.200 0.058 0.000 0.859 341 S CB 1.434 64.685 63.200 0.086 0.000 1.265 341 S HN 0.569 nan 8.310 nan 0.000 0.584 342 T N 0.604 115.187 114.554 0.048 0.000 2.876 342 T HA 0.593 4.943 4.350 0.001 0.000 0.289 342 T C -0.656 174.078 174.700 0.056 0.000 1.014 342 T CA -0.614 61.513 62.100 0.045 0.000 0.986 342 T CB 1.376 70.265 68.868 0.035 0.000 1.021 342 T HN 0.332 nan 8.240 nan 0.000 0.458 343 V N 4.058 124.010 119.914 0.064 0.000 2.508 343 V HA 0.163 4.283 4.120 0.001 0.000 0.281 343 V C 0.971 177.096 176.094 0.052 0.000 1.041 343 V CA 0.030 62.373 62.300 0.071 0.000 1.016 343 V CB 0.064 31.941 31.823 0.090 0.000 0.984 343 V HN 0.807 nan 8.190 nan 0.000 0.478 344 L N 3.132 124.383 121.223 0.046 0.000 2.356 344 L HA 0.360 4.701 4.340 0.001 0.000 0.193 344 L C 0.999 177.889 176.870 0.033 0.000 1.087 344 L CA 0.540 55.401 54.840 0.036 0.000 0.817 344 L CB -0.071 42.006 42.059 0.031 0.000 1.035 344 L HN 0.398 nan 8.230 nan 0.000 0.482 345 K N 1.127 121.548 120.400 0.035 0.000 2.345 345 K HA 0.432 4.752 4.320 0.001 0.000 0.255 345 K C -1.268 175.350 176.600 0.030 0.000 0.934 345 K CA -0.398 55.906 56.287 0.029 0.000 0.801 345 K CB 2.967 35.482 32.500 0.026 0.000 1.137 345 K HN -0.206 nan 8.250 nan 0.000 0.424 346 V N 6.526 126.454 119.914 0.023 0.000 2.218 346 V HA 0.101 4.221 4.120 0.001 0.000 0.261 346 V C 1.662 177.761 176.094 0.009 0.000 1.142 346 V CA -0.232 62.077 62.300 0.015 0.000 0.965 346 V CB 0.107 31.937 31.823 0.011 0.000 1.190 346 V HN 0.740 nan 8.190 nan 0.000 0.478 347 L N 2.159 123.389 121.223 0.012 0.000 2.079 347 L HA -0.091 4.249 4.340 0.001 0.000 0.210 347 L C 1.021 177.895 176.870 0.007 0.000 1.081 347 L CA 1.499 56.347 54.840 0.014 0.000 0.752 347 L CB -0.486 41.586 42.059 0.021 0.000 0.896 347 L HN 0.905 nan 8.230 nan 0.000 0.433 348 N N -3.571 115.127 118.700 -0.004 0.000 3.277 348 N HA 0.243 4.983 4.740 0.001 0.000 0.278 348 N C -2.590 172.899 175.510 -0.035 0.000 1.544 348 N CA -1.416 51.627 53.050 -0.012 0.000 0.869 348 N CB 0.215 38.699 38.487 -0.004 0.000 1.584 348 N HN -0.407 nan 8.380 nan 0.000 0.564 349 P HA 0.036 nan 4.420 nan 0.000 0.234 349 P C 0.045 177.270 177.300 -0.124 0.000 1.162 349 P CA 1.034 64.086 63.100 -0.080 0.000 0.759 349 P CB 0.137 31.798 31.700 -0.064 0.000 0.813 350 R N -2.751 117.692 120.500 -0.095 0.000 2.591 350 R HA 0.139 4.480 4.340 0.001 0.000 0.288 350 R C -0.057 176.190 176.300 -0.088 0.000 0.947 350 R CA 0.348 56.385 56.100 -0.105 0.000 1.085 350 R CB 0.851 31.111 30.300 -0.067 0.000 1.618 350 R HN 0.163 nan 8.270 nan 0.000 0.524 351 T N -0.758 113.762 114.554 -0.057 0.000 2.876 351 T HA 0.678 5.028 4.350 0.001 0.000 0.289 351 T C -0.431 174.266 174.700 -0.005 0.000 1.014 351 T CA -0.674 61.407 62.100 -0.032 0.000 0.986 351 T CB 2.754 71.613 68.868 -0.016 0.000 1.021 351 T HN -0.220 nan 8.240 nan 0.000 0.458 352 V N 2.010 121.936 119.914 0.020 0.000 2.888 352 V HA 0.526 4.646 4.120 0.001 0.000 0.309 352 V C -0.609 175.517 176.094 0.052 0.000 1.114 352 V CA -0.899 61.425 62.300 0.041 0.000 0.940 352 V CB 2.480 34.344 31.823 0.067 0.000 1.021 352 V HN 0.912 nan 8.190 nan 0.000 0.426 353 V N 5.612 125.555 119.914 0.049 0.000 2.407 353 V HA 0.537 4.658 4.120 0.001 0.000 0.278 353 V C -0.076 176.050 176.094 0.053 0.000 1.037 353 V CA -0.332 61.997 62.300 0.048 0.000 0.900 353 V CB 1.302 33.148 31.823 0.038 0.000 0.983 353 V HN 0.756 nan 8.190 nan 0.000 0.459 354 I N 2.887 123.491 120.570 0.056 0.000 2.648 354 I HA 0.610 4.780 4.170 0.001 0.000 0.304 354 I C -0.225 175.915 176.117 0.040 0.000 1.009 354 I CA -1.004 60.331 61.300 0.059 0.000 1.114 354 I CB 1.832 39.880 38.000 0.080 0.000 1.293 354 I HN 0.556 nan 8.210 nan 0.000 0.449 355 L N 4.467 125.713 121.223 0.038 0.000 2.623 355 L HA 0.151 4.491 4.340 0.001 0.000 0.281 355 L C 0.241 177.127 176.870 0.026 0.000 1.150 355 L CA 0.258 55.114 54.840 0.025 0.000 0.965 355 L CB -0.369 41.707 42.059 0.028 0.000 1.303 355 L HN 0.845 nan 8.230 nan 0.000 0.467 356 D N 1.930 122.328 120.400 -0.003 0.000 2.346 356 D HA -0.150 4.490 4.640 0.001 0.000 0.236 356 D C 1.028 177.301 176.300 -0.044 0.000 1.259 356 D CA 0.453 54.426 54.000 -0.044 0.000 0.898 356 D CB 0.669 41.399 40.800 -0.116 0.000 1.178 356 D HN 0.726 nan 8.370 nan 0.000 0.457 357 H N 0.586 119.631 119.070 -0.041 0.000 2.566 357 H HA 0.220 4.777 4.556 0.001 0.000 0.280 357 H C 0.608 175.927 175.328 -0.015 0.000 1.042 357 H CA 0.144 56.178 56.048 -0.023 0.000 1.168 357 H CB 0.045 29.787 29.762 -0.033 0.000 1.340 357 H HN 0.268 nan 8.280 nan 0.000 0.597 358 L N -0.522 120.537 121.223 -0.273 0.000 3.217 358 L HA 0.437 4.777 4.340 0.001 0.000 0.288 358 L C 1.514 178.332 176.870 -0.085 0.000 1.202 358 L CA 0.390 55.110 54.840 -0.201 0.000 1.027 358 L CB 1.048 42.895 42.059 -0.353 0.000 1.427 358 L HN 0.455 nan 8.230 nan 0.000 0.600 359 G N -0.423 108.342 108.800 -0.059 0.000 4.804 359 G HA2 0.175 4.136 3.960 0.001 0.000 0.310 359 G HA3 0.175 4.136 3.960 0.001 0.000 0.310 359 G C -0.005 174.862 174.900 -0.055 0.000 1.389 359 G CA -0.432 44.632 45.100 -0.059 0.000 1.106 359 G HN 0.140 nan 8.290 nan 0.000 0.595 360 N N 0.358 119.009 118.700 -0.080 0.000 2.221 360 N HA 0.005 4.745 4.740 0.001 0.000 0.239 360 N C 0.156 175.647 175.510 -0.032 0.000 1.328 360 N CA 0.246 53.264 53.050 -0.053 0.000 0.878 360 N CB 0.272 38.721 38.487 -0.063 0.000 1.083 360 N HN 0.175 nan 8.380 nan 0.000 0.471 361 N N 0.344 119.034 118.700 -0.016 0.000 2.455 361 N HA 0.306 5.047 4.740 0.001 0.000 0.280 361 N C -0.850 174.661 175.510 0.001 0.000 1.055 361 N CA -0.168 52.882 53.050 0.001 0.000 0.961 361 N CB 0.651 39.145 38.487 0.011 0.000 1.121 361 N HN 0.216 nan 8.380 nan 0.000 0.476 362 R N 0.942 121.450 120.500 0.014 0.000 2.621 362 R HA 0.437 4.778 4.340 0.001 0.000 0.292 362 R C -0.951 175.374 176.300 0.042 0.000 0.969 362 R CA -0.589 55.526 56.100 0.024 0.000 0.887 362 R CB 1.569 31.885 30.300 0.027 0.000 1.180 362 R HN 0.507 nan 8.270 nan 0.000 0.450 363 T N 2.180 116.761 114.554 0.044 0.000 2.781 363 T HA 0.351 4.701 4.350 0.001 0.000 0.305 363 T C 0.440 175.173 174.700 0.055 0.000 1.001 363 T CA -0.669 61.461 62.100 0.049 0.000 0.950 363 T CB 0.617 69.515 68.868 0.050 0.000 0.955 363 T HN 0.402 nan 8.240 nan 0.000 0.471 364 V N 0.417 120.370 119.914 0.064 0.000 2.864 364 V HA 0.823 4.944 4.120 0.001 0.000 0.314 364 V C 0.205 176.326 176.094 0.045 0.000 1.073 364 V CA -1.057 61.292 62.300 0.082 0.000 0.956 364 V CB 1.979 33.881 31.823 0.131 0.000 1.023 364 V HN 0.665 nan 8.190 nan 0.000 0.435 365 S N 1.122 116.828 115.700 0.010 0.000 2.584 365 S HA 0.404 4.875 4.470 0.001 0.000 0.273 365 S C 1.229 175.860 174.600 0.053 0.000 1.311 365 S CA -0.186 57.955 58.200 -0.098 0.000 1.034 365 S CB 0.615 63.529 63.200 -0.477 0.000 0.939 365 S HN 0.952 nan 8.310 nan 0.000 0.513 366 I N 0.984 121.570 120.570 0.026 0.000 2.567 366 I HA -0.065 4.105 4.170 0.001 0.000 0.257 366 I C 1.299 177.569 176.117 0.254 0.000 1.184 366 I CA 1.159 62.525 61.300 0.109 0.000 1.451 366 I CB -0.392 37.513 38.000 -0.159 0.000 1.089 366 I HN 0.411 nan 8.210 nan 0.000 0.441 367 D N 2.297 122.835 120.400 0.230 0.000 2.104 367 D HA -0.165 4.475 4.640 0.001 0.000 0.194 367 D C 1.420 177.928 176.300 0.346 0.000 0.994 367 D CA 1.356 55.543 54.000 0.312 0.000 0.830 367 D CB -0.463 40.573 40.800 0.394 0.000 0.959 367 D HN 0.439 nan 8.370 nan 0.000 0.452 368 N N 0.144 119.043 118.700 0.332 0.000 2.413 368 N HA 0.089 4.829 4.740 0.001 0.000 0.207 368 N C -0.263 175.504 175.510 0.428 0.000 1.206 368 N CA 0.182 53.428 53.050 0.327 0.000 0.832 368 N CB 0.211 38.868 38.487 0.282 0.000 1.037 368 N HN 0.258 nan 8.380 nan 0.000 0.467 369 L N 0.353 121.858 121.223 0.470 0.000 2.381 369 L HA 0.455 4.795 4.340 0.001 0.000 0.268 369 L C -0.204 176.866 176.870 0.332 0.000 0.997 369 L CA -1.031 54.083 54.840 0.457 0.000 0.818 369 L CB 2.243 44.583 42.059 0.468 0.000 1.310 369 L HN 0.018 nan 8.230 nan 0.000 0.416 370 K N 1.896 122.219 120.400 -0.128 0.000 2.324 370 K HA 0.636 4.956 4.320 0.001 0.000 0.253 370 K C -2.872 173.243 176.600 -0.808 0.000 0.932 370 K CA -1.931 53.998 56.287 -0.597 0.000 0.799 370 K CB 2.031 33.948 32.500 -0.971 0.000 1.154 370 K HN 0.107 nan 8.250 nan 0.000 0.425 371 P HA -0.016 nan 4.420 nan 0.000 0.271 371 P C -0.510 176.429 177.300 -0.602 0.000 1.220 371 P CA -0.055 62.474 63.100 -0.951 0.000 0.768 371 P CB 0.734 31.812 31.700 -1.036 0.000 0.848 372 T N 3.037 117.340 114.554 -0.419 0.000 2.908 372 T HA 0.085 4.435 4.350 0.001 0.000 0.301 372 T C 0.598 175.079 174.700 -0.365 0.000 1.019 372 T CA 0.539 62.428 62.100 -0.352 0.000 1.152 372 T CB -0.196 68.537 68.868 -0.225 0.000 0.966 372 T HN 0.308 nan 8.240 nan 0.000 0.540 373 S N 4.806 120.225 115.700 -0.468 0.000 2.580 373 S HA 0.336 4.807 4.470 0.001 0.000 0.274 373 S C -0.082 174.119 174.600 -0.666 0.000 1.329 373 S CA -0.692 57.109 58.200 -0.666 0.000 1.036 373 S CB 0.228 62.830 63.200 -0.996 0.000 0.919 373 S HN 0.907 nan 8.310 nan 0.000 0.515 374 H N 0.000 119.016 119.070 -0.090 0.000 2.539 374 H HA 0.000 4.557 4.556 0.001 0.000 0.296 374 H CA 0.000 56.007 56.048 -0.068 0.000 1.023 374 H CB 0.000 29.722 29.762 -0.066 0.000 1.292 374 H HN 0.000 nan 8.280 nan 0.000 0.496