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 3llx_1_A DATA FIRST_RESID 3 DATA SEQUENCE SAPDWIAHPD TPYLLIDEAK LKSNINYLKQ RVESLGSHLR PHLXTLRTLE DATA SEQUENCE AAGYLLDSKS APATVSTLAE AEAYAKAGYT DLLYAVGIAP AKLKRVAALR DATA SEQUENCE QQGINLHILL DNITQAQAVV DYAAEFGQDF SVFIEIDSDD HRGGIKPSDS DATA SEQUENCE KLLTIAKTLG EHFTGLXTHA GGSYACNTEQ GLKNFAKQEC DAVRIARNNL DATA SEQUENCE ETAGIHCAIT SVGSTPTAHF GEDFSDISEV RAGVYTTFDL VXKNIGVCDF DATA SEQUENCE SHIAXSVVTT VIGHNKEKNW LLTDSGWXAL SRDSGTAGQN RDFGYGQVCK DATA SEQUENCE IDGSVLDGLC VNSTSQEHGV IELSDAYQLE DFPVGHQLRI XPNHACATAA DATA SEQUENCE XHPVYHVLXS DGSHNTWQRI TGW 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.525 174.600 -0.126 0.000 1.055 3 S CA 0.000 58.145 58.200 -0.091 0.000 1.107 3 S CB 0.000 63.154 63.200 -0.078 0.000 0.593 4 A N 2.864 125.581 122.820 -0.171 0.000 2.366 4 A HA 0.809 5.129 4.320 -0.000 0.000 0.249 4 A C -2.402 174.994 177.584 -0.314 0.000 1.084 4 A CA -0.992 50.893 52.037 -0.253 0.000 0.794 4 A CB -0.807 18.015 19.000 -0.296 0.000 1.034 4 A HN 0.533 nan 8.150 nan 0.000 0.491 5 P HA 0.106 nan 4.420 nan 0.000 0.269 5 P C -0.133 176.829 177.300 -0.562 0.000 1.215 5 P CA -0.171 62.633 63.100 -0.492 0.000 0.780 5 P CB 0.444 31.723 31.700 -0.702 0.000 0.898 6 D N 0.724 120.928 120.400 -0.327 0.000 2.221 6 D HA -0.139 4.501 4.640 -0.000 0.000 0.204 6 D C 1.632 177.670 176.300 -0.437 0.000 0.982 6 D CA 1.051 54.902 54.000 -0.247 0.000 0.857 6 D CB -0.357 40.409 40.800 -0.057 0.000 0.934 6 D HN 0.630 nan 8.370 nan 0.000 0.475 7 W N 0.589 121.573 121.300 -0.527 0.000 2.699 7 W HA 0.051 4.710 4.660 -0.000 0.000 0.249 7 W C 1.403 177.544 176.519 -0.630 0.000 1.280 7 W CA -0.083 56.676 57.345 -0.975 0.000 1.345 7 W CB -0.867 28.262 29.460 -0.552 0.000 1.128 7 W HN -0.074 nan 8.180 nan 0.000 0.642 8 I N 2.192 122.359 120.570 -0.673 0.000 2.423 8 I HA -0.270 3.900 4.170 -0.000 0.000 0.254 8 I C 2.718 178.787 176.117 -0.079 0.000 1.151 8 I CA 1.794 62.852 61.300 -0.403 0.000 1.421 8 I CB -0.462 37.218 38.000 -0.533 0.000 1.079 8 I HN 0.023 nan 8.210 nan 0.000 0.431 9 A N -0.922 121.830 122.820 -0.113 0.000 2.238 9 A HA -0.072 4.247 4.320 -0.000 0.000 0.208 9 A C 1.785 179.498 177.584 0.215 0.000 1.177 9 A CA 0.628 52.691 52.037 0.044 0.000 0.804 9 A CB -0.861 18.160 19.000 0.036 0.000 0.823 9 A HN 0.501 nan 8.150 nan 0.000 0.482 10 H N 0.143 119.256 119.070 0.072 0.000 2.370 10 H HA 0.033 4.589 4.556 -0.000 0.000 0.304 10 H C -1.341 174.000 175.328 0.022 0.000 1.055 10 H CA -0.273 55.813 56.048 0.063 0.000 1.373 10 H CB -0.804 29.022 29.762 0.107 0.000 1.423 10 H HN 0.350 nan 8.280 nan 0.000 0.533 11 P HA 0.020 nan 4.420 nan 0.000 0.275 11 P C -0.510 176.814 177.300 0.039 0.000 1.228 11 P CA -0.010 63.031 63.100 -0.098 0.000 0.786 11 P CB 0.731 32.018 31.700 -0.688 0.000 0.927 12 D N 0.617 121.055 120.400 0.062 0.000 2.423 12 D HA 0.110 4.750 4.640 -0.000 0.000 0.238 12 D C 0.499 176.917 176.300 0.198 0.000 1.142 12 D CA 0.550 54.616 54.000 0.109 0.000 0.884 12 D CB 0.469 41.316 40.800 0.078 0.000 1.199 12 D HN 0.366 nan 8.370 nan 0.000 0.438 13 T N -1.115 113.543 114.554 0.173 0.000 2.927 13 T HA 0.609 4.959 4.350 -0.000 0.000 0.281 13 T C -2.367 172.399 174.700 0.109 0.000 0.998 13 T CA -1.561 60.637 62.100 0.163 0.000 1.019 13 T CB 1.593 70.499 68.868 0.063 0.000 1.061 13 T HN 0.130 nan 8.240 nan 0.000 0.518 14 P HA 0.372 nan 4.420 nan 0.000 0.279 14 P C -1.486 175.954 177.300 0.232 0.000 1.252 14 P CA -0.433 62.717 63.100 0.084 0.000 0.811 14 P CB 0.365 32.105 31.700 0.066 0.000 1.035 15 Y N -0.360 119.983 120.300 0.073 0.000 2.597 15 Y HA 0.641 5.191 4.550 -0.000 0.000 0.340 15 Y C -1.781 174.067 175.900 -0.087 0.000 1.097 15 Y CA -1.807 56.349 58.100 0.093 0.000 1.037 15 Y CB 0.552 39.040 38.460 0.047 0.000 1.305 15 Y HN 0.180 nan 8.280 nan 0.000 0.463 16 L N 3.207 124.424 121.223 -0.009 0.000 2.312 16 L HA 0.627 4.967 4.340 -0.000 0.000 0.281 16 L C -1.281 175.641 176.870 0.085 0.000 1.070 16 L CA -0.594 54.076 54.840 -0.283 0.000 0.805 16 L CB 1.226 42.903 42.059 -0.637 0.000 1.174 16 L HN 0.752 nan 8.230 nan 0.000 0.434 17 L N 6.171 127.363 121.223 -0.052 0.000 2.349 17 L HA 0.599 4.939 4.340 -0.000 0.000 0.278 17 L C -1.199 175.627 176.870 -0.074 0.000 0.996 17 L CA -0.224 54.644 54.840 0.047 0.000 0.825 17 L CB 1.390 43.455 42.059 0.010 0.000 1.243 17 L HN 0.369 nan 8.230 nan 0.000 0.412 18 I N 3.986 124.501 120.570 -0.091 0.000 2.354 18 I HA 0.305 4.475 4.170 -0.000 0.000 0.292 18 I C -0.214 175.838 176.117 -0.109 0.000 0.989 18 I CA -0.435 60.769 61.300 -0.160 0.000 1.188 18 I CB 1.493 39.310 38.000 -0.304 0.000 1.342 18 I HN 0.582 nan 8.210 nan 0.000 0.457 19 D N 6.114 126.470 120.400 -0.074 0.000 2.365 19 D HA 0.034 4.674 4.640 -0.000 0.000 0.237 19 D C 1.007 177.288 176.300 -0.032 0.000 1.190 19 D CA 0.037 54.017 54.000 -0.035 0.000 0.867 19 D CB 1.089 41.875 40.800 -0.024 0.000 1.050 19 D HN 0.607 nan 8.370 nan 0.000 0.491 20 E N 3.121 123.311 120.200 -0.016 0.000 2.077 20 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 20 E C 1.583 178.204 176.600 0.035 0.000 0.989 20 E CA 1.028 57.425 56.400 -0.006 0.000 0.800 20 E CB 0.207 29.957 29.700 0.083 0.000 0.746 20 E HN 0.603 nan 8.360 nan 0.000 0.452 21 A N 1.366 124.222 122.820 0.060 0.000 1.883 21 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 21 A C 2.069 179.697 177.584 0.074 0.000 1.186 21 A CA 1.847 53.930 52.037 0.076 0.000 0.624 21 A CB -0.378 18.661 19.000 0.066 0.000 0.822 21 A HN 0.153 nan 8.150 nan 0.000 0.444 22 K N -0.800 119.634 120.400 0.057 0.000 2.057 22 K HA -0.027 4.293 4.320 -0.000 0.000 0.206 22 K C 2.011 178.666 176.600 0.092 0.000 1.050 22 K CA 1.308 57.644 56.287 0.081 0.000 0.935 22 K CB -0.334 32.206 32.500 0.067 0.000 0.715 22 K HN 0.522 nan 8.250 nan 0.000 0.439 23 L N 1.545 122.787 121.223 0.032 0.000 2.056 23 L HA -0.203 4.137 4.340 -0.000 0.000 0.207 23 L C 1.990 178.869 176.870 0.015 0.000 1.078 23 L CA 1.633 56.463 54.840 -0.017 0.000 0.749 23 L CB -0.078 41.922 42.059 -0.097 0.000 0.901 23 L HN 0.026 nan 8.230 nan 0.000 0.433 24 K N -0.189 120.244 120.400 0.054 0.000 2.057 24 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 24 K C 2.204 178.899 176.600 0.158 0.000 1.049 24 K CA 1.715 58.084 56.287 0.138 0.000 0.931 24 K CB -0.223 32.387 32.500 0.184 0.000 0.714 24 K HN 0.585 nan 8.250 nan 0.000 0.440 25 S N 1.061 116.855 115.700 0.158 0.000 2.406 25 S HA -0.071 4.399 4.470 -0.000 0.000 0.228 25 S C 1.653 176.408 174.600 0.258 0.000 1.020 25 S CA 0.874 59.191 58.200 0.195 0.000 0.965 25 S CB -0.256 63.051 63.200 0.180 0.000 0.798 25 S HN 0.201 nan 8.310 nan 0.000 0.488 26 N N 2.135 120.986 118.700 0.252 0.000 2.142 26 N HA 0.106 4.846 4.740 -0.000 0.000 0.186 26 N C 1.718 177.466 175.510 0.397 0.000 1.023 26 N CA 1.358 54.611 53.050 0.338 0.000 0.852 26 N CB -0.517 38.105 38.487 0.225 0.000 0.998 26 N HN 0.460 nan 8.380 nan 0.000 0.424 27 I N 0.981 121.696 120.570 0.242 0.000 2.252 27 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 27 I C 2.102 178.395 176.117 0.294 0.000 1.102 27 I CA 0.985 62.456 61.300 0.286 0.000 1.385 27 I CB -0.263 37.820 38.000 0.138 0.000 1.064 27 I HN 0.130 nan 8.210 nan 0.000 0.414 28 N N 0.591 119.433 118.700 0.237 0.000 2.120 28 N HA -0.291 4.449 4.740 -0.000 0.000 0.188 28 N C 2.020 177.634 175.510 0.173 0.000 1.024 28 N CA 1.438 54.596 53.050 0.180 0.000 0.852 28 N CB -0.367 38.218 38.487 0.163 0.000 1.003 28 N HN 0.347 nan 8.380 nan 0.000 0.424 29 Y N 0.159 120.541 120.300 0.136 0.000 2.128 29 Y HA -0.155 4.394 4.550 -0.000 0.000 0.284 29 Y C 2.060 177.974 175.900 0.024 0.000 1.154 29 Y CA 1.614 59.772 58.100 0.097 0.000 1.149 29 Y CB -0.523 38.025 38.460 0.146 0.000 0.976 29 Y HN 0.210 nan 8.280 nan 0.000 0.505 30 L N 0.938 122.230 121.223 0.115 0.000 2.072 30 L HA -0.095 4.245 4.340 -0.000 0.000 0.205 30 L C 2.487 179.237 176.870 -0.200 0.000 1.079 30 L CA 1.938 56.659 54.840 -0.198 0.000 0.752 30 L CB -0.918 40.895 42.059 -0.410 0.000 0.906 30 L HN 0.241 nan 8.230 nan 0.000 0.436 31 K N -1.065 119.304 120.400 -0.051 0.000 2.044 31 K HA -0.271 4.049 4.320 -0.000 0.000 0.210 31 K C 2.236 178.778 176.600 -0.097 0.000 1.049 31 K CA 1.803 58.063 56.287 -0.045 0.000 0.927 31 K CB -0.311 32.211 32.500 0.037 0.000 0.713 31 K HN 0.376 nan 8.250 nan 0.000 0.443 32 Q N 1.142 120.873 119.800 -0.115 0.000 2.061 32 Q HA -0.228 4.112 4.340 -0.000 0.000 0.204 32 Q C 2.210 178.089 176.000 -0.202 0.000 0.984 32 Q CA 1.762 57.482 55.803 -0.139 0.000 0.846 32 Q CB -0.188 28.463 28.738 -0.143 0.000 0.902 32 Q HN 0.364 nan 8.270 nan 0.000 0.421 33 R N -0.490 119.814 120.500 -0.326 0.000 2.070 33 R HA -0.115 4.225 4.340 -0.000 0.000 0.233 33 R C 2.353 178.549 176.300 -0.174 0.000 1.137 33 R CA 1.701 57.606 56.100 -0.324 0.000 0.945 33 R CB -0.234 29.766 30.300 -0.499 0.000 0.845 33 R HN 0.157 nan 8.270 nan 0.000 0.430 34 V N 1.496 121.303 119.914 -0.178 0.000 2.343 34 V HA -0.212 3.908 4.120 -0.000 0.000 0.247 34 V C 2.058 178.074 176.094 -0.130 0.000 1.051 34 V CA 2.070 64.295 62.300 -0.125 0.000 1.036 34 V CB -0.469 31.208 31.823 -0.243 0.000 0.654 34 V HN 0.442 nan 8.190 nan 0.000 0.451 35 E N 0.600 120.704 120.200 -0.160 0.000 2.150 35 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 35 E C 2.323 178.843 176.600 -0.134 0.000 0.985 35 E CA 1.477 57.763 56.400 -0.190 0.000 0.814 35 E CB -0.238 29.382 29.700 -0.132 0.000 0.752 35 E HN 0.742 nan 8.360 nan 0.000 0.466 36 S N 0.680 116.319 115.700 -0.102 0.000 2.447 36 S HA -0.066 4.404 4.470 -0.000 0.000 0.233 36 S C 1.723 176.289 174.600 -0.056 0.000 1.006 36 S CA 0.614 58.768 58.200 -0.076 0.000 0.957 36 S CB -0.161 62.989 63.200 -0.083 0.000 0.773 36 S HN 0.177 nan 8.310 nan 0.000 0.507 37 L N 1.086 122.289 121.223 -0.034 0.000 2.653 37 L HA 0.391 4.731 4.340 -0.000 0.000 0.231 37 L C 1.536 178.419 176.870 0.022 0.000 1.153 37 L CA 0.219 55.064 54.840 0.008 0.000 0.933 37 L CB -0.279 41.832 42.059 0.088 0.000 1.175 37 L HN 0.571 nan 8.230 nan 0.000 0.473 38 G N -0.470 108.304 108.800 -0.043 0.000 2.132 38 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.228 38 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.228 38 G C 0.153 174.997 174.900 -0.093 0.000 1.000 38 G CA 0.396 45.461 45.100 -0.059 0.000 0.693 38 G HN 0.386 nan 8.290 nan 0.000 0.515 39 S N -1.552 114.038 115.700 -0.183 0.000 2.971 39 S HA 0.889 5.359 4.470 -0.000 0.000 0.320 39 S C -0.518 173.734 174.600 -0.578 0.000 1.111 39 S CA -0.051 58.015 58.200 -0.224 0.000 0.870 39 S CB 1.221 64.379 63.200 -0.069 0.000 1.331 39 S HN 0.572 nan 8.310 nan 0.000 0.635 40 H N -0.745 118.281 119.070 -0.072 0.000 3.008 40 H HA 0.546 5.101 4.556 -0.000 0.000 0.354 40 H C -1.158 174.102 175.328 -0.113 0.000 1.252 40 H CA -0.654 55.350 56.048 -0.073 0.000 1.117 40 H CB 0.957 30.695 29.762 -0.040 0.000 1.857 40 H HN 0.381 nan 8.280 nan 0.000 0.547 41 L N 1.270 122.508 121.223 0.024 0.000 2.357 41 L HA 0.469 4.809 4.340 -0.000 0.000 0.273 41 L C 0.378 177.240 176.870 -0.012 0.000 1.080 41 L CA -0.438 54.380 54.840 -0.037 0.000 0.803 41 L CB 0.997 43.039 42.059 -0.028 0.000 1.174 41 L HN 0.422 nan 8.230 nan 0.000 0.443 42 R N 3.402 123.876 120.500 -0.045 0.000 2.505 42 R HA 0.354 4.694 4.340 -0.000 0.000 0.284 42 R C -2.594 173.676 176.300 -0.051 0.000 1.324 42 R CA -1.679 54.387 56.100 -0.057 0.000 1.432 42 R CB 0.904 31.148 30.300 -0.093 0.000 1.107 42 R HN 0.267 nan 8.270 nan 0.000 0.587 43 P HA -0.056 nan 4.420 nan 0.000 0.267 43 P C -1.031 176.266 177.300 -0.004 0.000 1.200 43 P CA 0.103 63.234 63.100 0.051 0.000 0.772 43 P CB 0.460 32.202 31.700 0.070 0.000 0.855 44 H N 3.000 122.079 119.070 0.014 0.000 2.517 44 H HA 0.338 4.893 4.556 -0.000 0.000 0.317 44 H C 0.059 175.359 175.328 -0.045 0.000 1.080 44 H CA -0.266 55.767 56.048 -0.024 0.000 1.301 44 H CB 0.239 30.003 29.762 0.003 0.000 1.425 44 H HN 0.262 nan 8.280 nan 0.000 0.471 48 L N 0.980 122.284 121.223 0.134 0.000 2.425 48 L HA 0.493 4.832 4.340 -0.000 0.000 0.215 48 L C 0.871 177.927 176.870 0.309 0.000 1.065 48 L CA 0.779 55.798 54.840 0.298 0.000 0.842 48 L CB -0.378 41.897 42.059 0.360 0.000 1.033 48 L HN 0.226 nan 8.230 nan 0.000 0.474 49 R N 0.487 121.107 120.500 0.199 0.000 3.333 49 R HA -0.157 4.183 4.340 -0.000 0.000 0.256 49 R C -0.277 176.059 176.300 0.060 0.000 1.010 49 R CA 0.814 57.009 56.100 0.158 0.000 0.680 49 R CB -2.471 27.878 30.300 0.082 0.000 1.102 49 R HN 0.532 nan 8.270 nan 0.000 0.440 50 T N -3.809 110.789 114.554 0.073 0.000 2.932 50 T HA 0.557 4.907 4.350 -0.000 0.000 0.289 50 T C 1.385 176.038 174.700 -0.079 0.000 1.039 50 T CA -1.209 60.838 62.100 -0.089 0.000 1.024 50 T CB 1.874 70.662 68.868 -0.134 0.000 1.090 50 T HN 0.070 nan 8.240 nan 0.000 0.496 51 L N 0.332 121.445 121.223 -0.184 0.000 2.083 51 L HA -0.065 4.275 4.340 -0.000 0.000 0.209 51 L C 2.654 179.444 176.870 -0.134 0.000 1.083 51 L CA 1.431 56.222 54.840 -0.082 0.000 0.752 51 L CB -0.586 41.405 42.059 -0.113 0.000 0.899 51 L HN 0.729 nan 8.230 nan 0.000 0.433 52 E N 0.398 120.349 120.200 -0.415 0.000 2.110 52 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 52 E C 2.281 178.647 176.600 -0.390 0.000 0.988 52 E CA 1.231 57.284 56.400 -0.578 0.000 0.804 52 E CB -0.317 28.586 29.700 -1.329 0.000 0.745 52 E HN 0.445 nan 8.360 nan 0.000 0.458 53 A N 1.138 123.705 122.820 -0.421 0.000 1.940 53 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 53 A C 2.378 179.932 177.584 -0.050 0.000 1.176 53 A CA 1.828 53.784 52.037 -0.135 0.000 0.631 53 A CB -0.845 18.112 19.000 -0.071 0.000 0.814 53 A HN 0.299 nan 8.150 nan 0.000 0.446 54 A N -0.537 122.199 122.820 -0.140 0.000 1.933 54 A HA 0.121 4.441 4.320 -0.000 0.000 0.218 54 A C 2.371 179.891 177.584 -0.106 0.000 1.175 54 A CA 1.861 53.725 52.037 -0.289 0.000 0.628 54 A CB -1.281 17.296 19.000 -0.704 0.000 0.814 54 A HN 0.731 nan 8.150 nan 0.000 0.444 55 G N -1.711 107.066 108.800 -0.038 0.000 2.408 55 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.217 55 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.217 55 G C 1.412 176.235 174.900 -0.129 0.000 1.150 55 G CA 1.113 46.178 45.100 -0.059 0.000 0.776 55 G HN 0.581 nan 8.290 nan 0.000 0.542 56 Y N 0.123 120.401 120.300 -0.036 0.000 2.293 56 Y HA 0.141 4.691 4.550 -0.000 0.000 0.291 56 Y C 2.604 178.506 175.900 0.004 0.000 1.137 56 Y CA 0.674 58.775 58.100 0.001 0.000 1.202 56 Y CB -0.069 38.400 38.460 0.014 0.000 0.990 56 Y HN 0.084 nan 8.280 nan 0.000 0.537 57 L N -0.853 120.438 121.223 0.114 0.000 2.307 57 L HA 0.077 4.417 4.340 -0.000 0.000 0.211 57 L C -0.051 176.848 176.870 0.048 0.000 1.099 57 L CA 0.314 55.194 54.840 0.067 0.000 0.816 57 L CB 0.076 42.136 42.059 0.001 0.000 0.952 57 L HN 0.033 nan 8.230 nan 0.000 0.455 58 L N -0.182 121.060 121.223 0.032 0.000 2.346 58 L HA 0.220 4.560 4.340 -0.000 0.000 0.276 58 L C 0.303 177.211 176.870 0.063 0.000 1.006 58 L CA -0.660 54.209 54.840 0.049 0.000 0.817 58 L CB 1.652 43.752 42.059 0.068 0.000 1.272 58 L HN 0.007 nan 8.230 nan 0.000 0.421 59 D N -0.573 119.857 120.400 0.051 0.000 2.355 59 D HA -0.006 4.634 4.640 -0.000 0.000 0.218 59 D C 0.485 176.800 176.300 0.025 0.000 1.004 59 D CA 0.319 54.340 54.000 0.035 0.000 0.880 59 D CB 0.295 41.113 40.800 0.030 0.000 0.911 59 D HN 0.454 nan 8.370 nan 0.000 0.528 60 S N -2.174 113.550 115.700 0.039 0.000 2.636 60 S HA 0.303 4.773 4.470 -0.000 0.000 0.266 60 S C 0.218 174.832 174.600 0.022 0.000 1.147 60 S CA -0.993 57.211 58.200 0.006 0.000 0.815 60 S CB 1.373 64.564 63.200 -0.016 0.000 1.119 60 S HN -0.207 nan 8.310 nan 0.000 0.470 61 K N 1.182 121.515 120.400 -0.112 0.000 2.283 61 K HA 0.015 4.335 4.320 -0.000 0.000 0.202 61 K C 1.915 178.484 176.600 -0.052 0.000 1.048 61 K CA 1.544 57.665 56.287 -0.277 0.000 0.948 61 K CB -0.526 31.719 32.500 -0.424 0.000 0.742 61 K HN 0.782 nan 8.250 nan 0.000 0.458 62 S N -0.191 115.499 115.700 -0.017 0.000 2.575 62 S HA 0.230 4.700 4.470 -0.000 0.000 0.215 62 S C 0.870 175.496 174.600 0.043 0.000 0.966 62 S CA -0.308 57.901 58.200 0.014 0.000 0.911 62 S CB 0.058 63.253 63.200 -0.008 0.000 0.780 62 S HN 0.170 nan 8.310 nan 0.000 0.514 63 A N 3.604 126.459 122.820 0.058 0.000 2.445 63 A HA 0.511 4.831 4.320 -0.000 0.000 0.242 63 A C -2.237 175.376 177.584 0.048 0.000 1.075 63 A CA -1.362 50.701 52.037 0.044 0.000 0.777 63 A CB -0.305 18.723 19.000 0.045 0.000 1.013 63 A HN 0.376 nan 8.150 nan 0.000 0.493 64 P HA 0.405 nan 4.420 nan 0.000 0.271 64 P C -0.507 176.777 177.300 -0.027 0.000 1.216 64 P CA 0.279 63.393 63.100 0.023 0.000 0.771 64 P CB 1.207 32.916 31.700 0.014 0.000 0.864 65 A N 2.805 125.591 122.820 -0.057 0.000 2.527 65 A HA 0.801 5.121 4.320 -0.000 0.000 0.293 65 A C -0.643 176.827 177.584 -0.190 0.000 1.117 65 A CA -0.470 51.475 52.037 -0.155 0.000 0.723 65 A CB 1.212 20.054 19.000 -0.264 0.000 1.313 65 A HN 0.438 nan 8.150 nan 0.000 0.411 66 T N 0.686 115.052 114.554 -0.313 0.000 2.856 66 T HA 0.663 5.013 4.350 -0.000 0.000 0.283 66 T C -0.222 174.146 174.700 -0.553 0.000 1.008 66 T CA -0.319 61.482 62.100 -0.497 0.000 0.997 66 T CB 1.242 69.632 68.868 -0.796 0.000 0.992 66 T HN 1.649 nan 8.240 nan 0.000 0.454 67 V N -0.466 119.256 119.914 -0.321 0.000 3.040 67 V HA 0.834 4.954 4.120 -0.000 0.000 0.312 67 V C 0.580 176.822 176.094 0.247 0.000 1.115 67 V CA -0.649 61.651 62.300 0.000 0.000 0.998 67 V CB 1.970 33.840 31.823 0.079 0.000 1.042 67 V HN 0.914 nan 8.190 nan 0.000 0.433 68 S N 0.190 116.111 115.700 0.368 0.000 2.523 68 S HA 0.353 4.823 4.470 -0.000 0.000 0.217 68 S C 0.629 175.477 174.600 0.412 0.000 0.996 68 S CA 0.470 58.901 58.200 0.386 0.000 0.921 68 S CB -0.282 63.073 63.200 0.257 0.000 0.829 68 S HN 1.768 nan 8.310 nan 0.000 0.495 69 T N -1.726 112.964 114.554 0.226 0.000 2.853 69 T HA 0.563 4.913 4.350 -0.000 0.000 0.311 69 T C 0.426 174.941 174.700 -0.309 0.000 1.307 69 T CA -0.902 61.204 62.100 0.010 0.000 1.019 69 T CB 0.848 69.710 68.868 -0.010 0.000 1.264 69 T HN 0.003 nan 8.240 nan 0.000 0.497 70 L N 0.962 121.919 121.223 -0.443 0.000 2.395 70 L HA 0.136 4.476 4.340 -0.000 0.000 0.218 70 L C 3.027 179.807 176.870 -0.150 0.000 1.130 70 L CA 1.094 55.727 54.840 -0.346 0.000 0.826 70 L CB -0.796 41.075 42.059 -0.313 0.000 0.941 70 L HN 0.968 nan 8.230 nan 0.000 0.451 71 A N 0.531 123.289 122.820 -0.103 0.000 1.883 71 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 71 A C 2.158 179.673 177.584 -0.115 0.000 1.186 71 A CA 1.758 53.736 52.037 -0.098 0.000 0.624 71 A CB -0.372 18.556 19.000 -0.120 0.000 0.822 71 A HN 0.414 nan 8.150 nan 0.000 0.444 72 E N -0.339 119.812 120.200 -0.082 0.000 2.051 72 E HA -0.102 4.248 4.350 -0.000 0.000 0.192 72 E C 2.359 179.002 176.600 0.072 0.000 0.991 72 E CA 1.038 57.434 56.400 -0.007 0.000 0.799 72 E CB -0.331 29.466 29.700 0.162 0.000 0.748 72 E HN 0.608 nan 8.360 nan 0.000 0.449 73 A N 1.357 124.196 122.820 0.033 0.000 1.883 73 A HA -0.293 4.027 4.320 -0.000 0.000 0.217 73 A C 1.956 179.556 177.584 0.027 0.000 1.186 73 A CA 1.865 53.930 52.037 0.047 0.000 0.624 73 A CB -0.537 18.436 19.000 -0.044 0.000 0.822 73 A HN 0.194 nan 8.150 nan 0.000 0.444 74 E N -0.459 119.720 120.200 -0.036 0.000 2.077 74 E HA -0.069 4.281 4.350 -0.000 0.000 0.193 74 E C 2.333 178.897 176.600 -0.061 0.000 0.989 74 E CA 0.942 57.316 56.400 -0.044 0.000 0.800 74 E CB -0.283 29.382 29.700 -0.058 0.000 0.746 74 E HN 0.629 nan 8.360 nan 0.000 0.452 75 A N 0.509 123.248 122.820 -0.135 0.000 1.873 75 A HA -0.179 4.141 4.320 -0.000 0.000 0.215 75 A C 1.821 179.280 177.584 -0.208 0.000 1.186 75 A CA 1.255 53.153 52.037 -0.232 0.000 0.616 75 A CB -0.740 18.024 19.000 -0.394 0.000 0.823 75 A HN 0.247 nan 8.150 nan 0.000 0.442 76 Y N -0.079 120.214 120.300 -0.010 0.000 2.242 76 Y HA 0.002 4.552 4.550 -0.000 0.000 0.291 76 Y C 2.889 178.876 175.900 0.145 0.000 1.137 76 Y CA 0.510 58.645 58.100 0.057 0.000 1.181 76 Y CB -0.691 37.732 38.460 -0.060 0.000 0.989 76 Y HN 0.321 nan 8.280 nan 0.000 0.527 77 A N 0.219 123.152 122.820 0.187 0.000 1.902 77 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 77 A C 2.261 179.882 177.584 0.062 0.000 1.181 77 A CA 1.892 53.998 52.037 0.114 0.000 0.623 77 A CB -0.646 18.386 19.000 0.053 0.000 0.818 77 A HN 0.415 nan 8.150 nan 0.000 0.443 78 K N -0.262 120.155 120.400 0.028 0.000 2.147 78 K HA -0.056 4.264 4.320 -0.000 0.000 0.205 78 K C 1.791 178.393 176.600 0.003 0.000 1.049 78 K CA 1.134 57.419 56.287 -0.003 0.000 0.936 78 K CB -0.271 32.210 32.500 -0.032 0.000 0.722 78 K HN 0.377 nan 8.250 nan 0.000 0.446 79 A N -0.093 122.758 122.820 0.051 0.000 2.235 79 A HA 0.159 4.479 4.320 -0.000 0.000 0.208 79 A C 1.305 178.868 177.584 -0.035 0.000 1.172 79 A CA 0.961 53.035 52.037 0.061 0.000 0.786 79 A CB -0.320 18.799 19.000 0.198 0.000 0.804 79 A HN 0.576 nan 8.150 nan 0.000 0.479 80 G N -2.753 106.022 108.800 -0.042 0.000 2.179 80 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.220 80 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.220 80 G C -0.107 174.654 174.900 -0.233 0.000 0.990 80 G CA -0.019 44.984 45.100 -0.160 0.000 0.646 80 G HN 0.376 nan 8.290 nan 0.000 0.517 81 Y N 1.372 121.685 120.300 0.022 0.000 2.335 81 Y HA 0.448 4.998 4.550 -0.000 0.000 0.331 81 Y C 1.814 177.716 175.900 0.003 0.000 1.094 81 Y CA 0.848 58.955 58.100 0.012 0.000 1.253 81 Y CB 1.524 40.000 38.460 0.026 0.000 1.203 81 Y HN 0.206 nan 8.280 nan 0.000 0.508 82 T N -2.853 111.762 114.554 0.102 0.000 3.040 82 T HA 0.134 4.484 4.350 -0.000 0.000 0.266 82 T C -0.273 174.447 174.700 0.034 0.000 1.005 82 T CA -0.212 61.914 62.100 0.042 0.000 0.906 82 T CB 0.138 69.007 68.868 0.002 0.000 1.082 82 T HN 0.485 nan 8.240 nan 0.000 0.531 83 D N 1.292 121.734 120.400 0.069 0.000 2.389 83 D HA 0.414 5.054 4.640 -0.000 0.000 0.256 83 D C -1.155 175.201 176.300 0.093 0.000 1.239 83 D CA -0.382 53.666 54.000 0.079 0.000 0.925 83 D CB 0.673 41.543 40.800 0.117 0.000 1.145 83 D HN 0.354 nan 8.370 nan 0.000 0.542 84 L N 3.417 124.684 121.223 0.072 0.000 2.404 84 L HA 0.392 4.732 4.340 -0.000 0.000 0.272 84 L C -0.717 176.258 176.870 0.176 0.000 0.980 84 L CA -1.133 53.749 54.840 0.070 0.000 0.836 84 L CB 2.324 44.406 42.059 0.039 0.000 1.238 84 L HN 0.210 nan 8.230 nan 0.000 0.408 85 L N 4.109 125.427 121.223 0.158 0.000 2.257 85 L HA 0.337 4.677 4.340 -0.000 0.000 0.290 85 L C -0.750 176.168 176.870 0.079 0.000 1.044 85 L CA -0.088 54.834 54.840 0.136 0.000 0.810 85 L CB 0.564 42.536 42.059 -0.144 0.000 1.193 85 L HN 0.409 nan 8.230 nan 0.000 0.425 86 Y N 5.600 125.915 120.300 0.025 0.000 2.613 86 Y HA 0.518 5.068 4.550 -0.000 0.000 0.354 86 Y C 0.228 176.135 175.900 0.012 0.000 1.063 86 Y CA -1.288 56.824 58.100 0.020 0.000 1.384 86 Y CB 0.370 38.863 38.460 0.056 0.000 1.199 86 Y HN 0.728 nan 8.280 nan 0.000 0.517 87 A N 6.653 129.425 122.820 -0.081 0.000 3.260 87 A HA 0.601 4.921 4.320 -0.000 0.000 0.268 87 A C -1.053 176.423 177.584 -0.181 0.000 1.491 87 A CA -0.271 51.672 52.037 -0.158 0.000 1.181 87 A CB -0.819 18.121 19.000 -0.100 0.000 1.137 87 A HN 0.399 nan 8.150 nan 0.000 0.642 88 V N -0.179 119.467 119.914 -0.446 0.000 2.733 88 V HA 0.548 4.668 4.120 -0.000 0.000 0.306 88 V C 0.845 176.724 176.094 -0.359 0.000 1.084 88 V CA -0.574 61.536 62.300 -0.318 0.000 0.905 88 V CB 1.749 33.449 31.823 -0.204 0.000 1.010 88 V HN 0.732 nan 8.190 nan 0.000 0.424 89 G N 3.323 112.027 108.800 -0.160 0.000 2.138 89 G HA2 0.210 4.170 3.960 -0.000 0.000 0.244 89 G HA3 0.210 4.170 3.960 -0.000 0.000 0.244 89 G C -0.346 174.490 174.900 -0.106 0.000 1.166 89 G CA 0.231 45.269 45.100 -0.103 0.000 0.902 89 G HN 0.631 nan 8.290 nan 0.000 0.460 90 I N 2.480 123.000 120.570 -0.084 0.000 2.496 90 I HA 0.446 4.616 4.170 -0.000 0.000 0.285 90 I C 0.854 176.975 176.117 0.006 0.000 1.080 90 I CA -0.422 60.861 61.300 -0.030 0.000 1.404 90 I CB 0.909 38.895 38.000 -0.024 0.000 1.403 90 I HN 0.639 nan 8.210 nan 0.000 0.539 91 A N 8.987 131.836 122.820 0.048 0.000 2.366 91 A HA 0.520 4.840 4.320 -0.000 0.000 0.272 91 A C -1.717 175.880 177.584 0.022 0.000 1.135 91 A CA -1.153 50.905 52.037 0.034 0.000 0.804 91 A CB -0.164 18.865 19.000 0.048 0.000 1.064 91 A HN 0.698 nan 8.150 nan 0.000 0.499 92 P HA -0.196 nan 4.420 nan 0.000 0.217 92 P C 1.469 178.783 177.300 0.024 0.000 1.148 92 P CA 2.106 65.209 63.100 0.005 0.000 0.828 92 P CB 0.208 31.920 31.700 0.020 0.000 0.783 93 A N -0.553 122.288 122.820 0.034 0.000 2.172 93 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 93 A C 1.932 179.534 177.584 0.031 0.000 1.154 93 A CA 1.193 53.255 52.037 0.042 0.000 0.701 93 A CB -0.846 18.175 19.000 0.035 0.000 0.789 93 A HN 0.185 nan 8.150 nan 0.000 0.465 94 K N -0.369 120.047 120.400 0.027 0.000 2.459 94 K HA 0.221 4.541 4.320 -0.000 0.000 0.193 94 K C 1.285 177.874 176.600 -0.018 0.000 1.030 94 K CA 0.050 56.352 56.287 0.025 0.000 1.026 94 K CB -0.127 32.422 32.500 0.082 0.000 0.809 94 K HN 0.461 nan 8.250 nan 0.000 0.504 95 L N 1.696 122.870 121.223 -0.082 0.000 2.079 95 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 95 L C 2.422 179.094 176.870 -0.331 0.000 1.081 95 L CA 1.478 56.171 54.840 -0.245 0.000 0.752 95 L CB -0.568 41.225 42.059 -0.443 0.000 0.896 95 L HN 0.241 nan 8.230 nan 0.000 0.433 96 K N 0.236 120.523 120.400 -0.187 0.000 2.103 96 K HA -0.219 4.101 4.320 -0.000 0.000 0.207 96 K C 2.177 178.740 176.600 -0.062 0.000 1.048 96 K CA 1.360 57.600 56.287 -0.077 0.000 0.930 96 K CB -0.307 32.212 32.500 0.031 0.000 0.716 96 K HN 0.225 nan 8.250 nan 0.000 0.444 97 R N 0.804 121.277 120.500 -0.044 0.000 2.090 97 R HA -0.006 4.334 4.340 -0.000 0.000 0.228 97 R C 2.332 178.613 176.300 -0.031 0.000 1.110 97 R CA 1.012 57.092 56.100 -0.034 0.000 0.973 97 R CB -0.161 30.121 30.300 -0.030 0.000 0.869 97 R HN 0.047 nan 8.270 nan 0.000 0.440 98 V N 0.707 120.615 119.914 -0.011 0.000 2.307 98 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 98 V C 2.383 178.473 176.094 -0.006 0.000 1.045 98 V CA 1.964 64.288 62.300 0.040 0.000 1.024 98 V CB -0.639 31.277 31.823 0.156 0.000 0.651 98 V HN 0.400 nan 8.190 nan 0.000 0.449 99 A N 0.150 122.936 122.820 -0.056 0.000 1.908 99 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 99 A C 2.444 179.977 177.584 -0.086 0.000 1.181 99 A CA 2.219 54.170 52.037 -0.144 0.000 0.627 99 A CB -0.868 18.062 19.000 -0.116 0.000 0.818 99 A HN 0.583 nan 8.150 nan 0.000 0.445 100 A N -0.906 121.881 122.820 -0.055 0.000 1.908 100 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 100 A C 2.072 179.632 177.584 -0.041 0.000 1.181 100 A CA 1.827 53.840 52.037 -0.041 0.000 0.627 100 A CB -0.520 18.460 19.000 -0.033 0.000 0.818 100 A HN 0.451 nan 8.150 nan 0.000 0.445 101 L N -0.433 120.765 121.223 -0.041 0.000 2.109 101 L HA -0.039 4.301 4.340 -0.000 0.000 0.207 101 L C 2.555 179.397 176.870 -0.047 0.000 1.086 101 L CA 1.584 56.403 54.840 -0.036 0.000 0.760 101 L CB -0.619 41.423 42.059 -0.027 0.000 0.910 101 L HN 0.342 nan 8.230 nan 0.000 0.437 102 R N -1.164 119.295 120.500 -0.069 0.000 2.092 102 R HA -0.150 4.190 4.340 -0.000 0.000 0.231 102 R C 2.121 178.377 176.300 -0.074 0.000 1.119 102 R CA 1.258 57.305 56.100 -0.088 0.000 0.970 102 R CB -0.314 29.897 30.300 -0.148 0.000 0.864 102 R HN 0.500 nan 8.270 nan 0.000 0.440 103 Q N 0.649 120.408 119.800 -0.068 0.000 2.181 103 Q HA -0.202 4.137 4.340 -0.000 0.000 0.205 103 Q C 1.408 177.388 176.000 -0.035 0.000 0.980 103 Q CA 1.369 57.145 55.803 -0.045 0.000 0.862 103 Q CB 0.010 28.728 28.738 -0.034 0.000 0.905 103 Q HN 0.424 nan 8.270 nan 0.000 0.429 104 Q N -0.796 118.983 119.800 -0.035 0.000 2.373 104 Q HA 0.114 4.454 4.340 -0.000 0.000 0.206 104 Q C 0.573 176.556 176.000 -0.028 0.000 0.942 104 Q CA 0.374 56.160 55.803 -0.028 0.000 0.953 104 Q CB 0.527 29.250 28.738 -0.026 0.000 1.022 104 Q HN 0.511 nan 8.270 nan 0.000 0.502 105 G N 0.754 109.534 108.800 -0.033 0.000 2.136 105 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.242 105 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.242 105 G C -0.013 174.868 174.900 -0.032 0.000 0.989 105 G CA -0.355 44.726 45.100 -0.032 0.000 0.682 105 G HN 0.280 nan 8.290 nan 0.000 0.522 106 I N 1.022 121.571 120.570 -0.036 0.000 2.325 106 I HA 0.230 4.400 4.170 -0.000 0.000 0.291 106 I C 0.444 176.519 176.117 -0.070 0.000 1.019 106 I CA -1.386 59.893 61.300 -0.035 0.000 1.302 106 I CB 1.119 39.107 38.000 -0.020 0.000 1.401 106 I HN 0.050 nan 8.210 nan 0.000 0.485 107 N N 7.188 125.833 118.700 -0.092 0.000 2.819 107 N HA 0.087 4.827 4.740 -0.000 0.000 0.284 107 N C -0.602 174.693 175.510 -0.358 0.000 1.196 107 N CA 0.044 52.975 53.050 -0.199 0.000 1.114 107 N CB -0.189 38.201 38.487 -0.161 0.000 1.437 107 N HN 0.558 nan 8.380 nan 0.000 0.518 108 L N 4.278 125.370 121.223 -0.219 0.000 2.315 108 L HA 0.220 4.560 4.340 -0.000 0.000 0.283 108 L C -0.124 176.673 176.870 -0.121 0.000 1.089 108 L CA -0.533 54.230 54.840 -0.128 0.000 0.833 108 L CB 0.211 42.265 42.059 -0.008 0.000 1.170 108 L HN 0.439 nan 8.230 nan 0.000 0.442 109 H N 5.992 125.171 119.070 0.181 0.000 2.472 109 H HA 0.435 4.991 4.556 -0.000 0.000 0.335 109 H C -0.067 175.405 175.328 0.239 0.000 1.136 109 H CA -0.499 55.699 56.048 0.250 0.000 1.264 109 H CB 1.874 31.856 29.762 0.366 0.000 1.486 109 H HN 0.617 nan 8.280 nan 0.000 0.517 110 I N -0.308 120.481 120.570 0.365 0.000 3.133 110 I HA 0.558 4.728 4.170 -0.000 0.000 0.311 110 I C -1.185 175.051 176.117 0.198 0.000 1.072 110 I CA -1.305 60.128 61.300 0.221 0.000 1.015 110 I CB 2.179 40.275 38.000 0.160 0.000 1.233 110 I HN 0.230 nan 8.210 nan 0.000 0.473 111 L N 4.014 125.269 121.223 0.052 0.000 2.386 111 L HA 0.772 5.111 4.340 -0.000 0.000 0.271 111 L C -1.273 175.606 176.870 0.016 0.000 0.993 111 L CA -0.392 54.478 54.840 0.050 0.000 0.819 111 L CB 1.754 43.780 42.059 -0.055 0.000 1.294 111 L HN 0.788 nan 8.230 nan 0.000 0.414 112 L N 1.600 122.860 121.223 0.061 0.000 2.568 112 L HA 0.834 5.174 4.340 -0.000 0.000 0.257 112 L C -0.940 175.961 176.870 0.051 0.000 1.024 112 L CA -0.425 54.436 54.840 0.035 0.000 0.854 112 L CB 2.114 44.187 42.059 0.022 0.000 1.460 112 L HN 0.531 nan 8.230 nan 0.000 0.409 113 D N -1.453 118.965 120.400 0.030 0.000 2.602 113 D HA 0.254 4.893 4.640 -0.000 0.000 0.265 113 D C -0.732 175.578 176.300 0.017 0.000 1.454 113 D CA 0.063 54.082 54.000 0.031 0.000 0.795 113 D CB -0.037 40.783 40.800 0.033 0.000 1.140 113 D HN 0.559 nan 8.370 nan 0.000 0.486 114 N N 0.624 119.330 118.700 0.010 0.000 2.235 114 N HA 0.208 4.948 4.740 -0.000 0.000 0.293 114 N C 0.184 175.694 175.510 -0.000 0.000 1.083 114 N CA -0.517 52.536 53.050 0.004 0.000 0.801 114 N CB 2.170 40.658 38.487 0.003 0.000 1.559 114 N HN -0.097 nan 8.380 nan 0.000 0.472 115 I N 2.769 123.337 120.570 -0.002 0.000 2.361 115 I HA -0.200 3.970 4.170 -0.000 0.000 0.251 115 I C 2.266 178.381 176.117 -0.002 0.000 1.133 115 I CA 1.992 63.290 61.300 -0.004 0.000 1.413 115 I CB -0.314 37.683 38.000 -0.004 0.000 1.073 115 I HN 0.793 nan 8.210 nan 0.000 0.424 116 T N -2.638 111.915 114.554 -0.001 0.000 2.951 116 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 116 T C 1.772 176.468 174.700 -0.006 0.000 1.073 116 T CA 1.125 63.225 62.100 -0.000 0.000 1.134 116 T CB -0.430 68.440 68.868 0.003 0.000 0.884 116 T HN 0.483 nan 8.240 nan 0.000 0.479 117 Q N 1.030 120.823 119.800 -0.011 0.000 2.079 117 Q HA 0.142 4.482 4.340 -0.000 0.000 0.200 117 Q C 2.824 178.800 176.000 -0.041 0.000 0.974 117 Q CA 1.450 57.237 55.803 -0.027 0.000 0.840 117 Q CB -0.454 28.270 28.738 -0.023 0.000 0.898 117 Q HN 0.714 nan 8.270 nan 0.000 0.430 118 A N 0.686 123.493 122.820 -0.022 0.000 1.902 118 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 118 A C 2.050 179.624 177.584 -0.016 0.000 1.181 118 A CA 1.696 53.723 52.037 -0.017 0.000 0.623 118 A CB -0.516 18.484 19.000 0.001 0.000 0.818 118 A HN 0.247 nan 8.150 nan 0.000 0.443 119 Q N -0.219 119.578 119.800 -0.005 0.000 2.124 119 Q HA -0.009 4.330 4.340 -0.000 0.000 0.202 119 Q C 2.053 178.057 176.000 0.007 0.000 0.977 119 Q CA 1.944 57.752 55.803 0.008 0.000 0.850 119 Q CB -0.607 28.138 28.738 0.012 0.000 0.901 119 Q HN 0.570 nan 8.270 nan 0.000 0.429 120 A N -0.678 122.137 122.820 -0.007 0.000 1.908 120 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 120 A C 2.251 179.816 177.584 -0.032 0.000 1.181 120 A CA 1.700 53.739 52.037 0.003 0.000 0.627 120 A CB -0.886 18.109 19.000 -0.009 0.000 0.818 120 A HN 0.267 nan 8.150 nan 0.000 0.445 121 V N -0.453 119.370 119.914 -0.152 0.000 2.261 121 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 121 V C 2.576 178.584 176.094 -0.143 0.000 1.047 121 V CA 2.052 64.141 62.300 -0.351 0.000 1.015 121 V CB -0.861 30.704 31.823 -0.431 0.000 0.642 121 V HN 0.372 nan 8.190 nan 0.000 0.446 122 V N 0.301 120.193 119.914 -0.037 0.000 2.343 122 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 122 V C 2.278 178.437 176.094 0.108 0.000 1.051 122 V CA 2.263 64.605 62.300 0.069 0.000 1.036 122 V CB -0.726 31.150 31.823 0.089 0.000 0.654 122 V HN 0.568 nan 8.190 nan 0.000 0.451 123 D N -1.315 119.139 120.400 0.090 0.000 2.117 123 D HA -0.177 4.463 4.640 -0.000 0.000 0.198 123 D C 1.927 178.312 176.300 0.142 0.000 0.982 123 D CA 1.316 55.370 54.000 0.089 0.000 0.828 123 D CB -0.294 40.547 40.800 0.068 0.000 0.967 123 D HN 0.542 nan 8.370 nan 0.000 0.464 124 Y N 1.620 121.998 120.300 0.130 0.000 2.145 124 Y HA -0.178 4.372 4.550 -0.000 0.000 0.286 124 Y C 2.333 178.457 175.900 0.372 0.000 1.145 124 Y CA 1.647 59.934 58.100 0.312 0.000 1.148 124 Y CB -0.413 38.227 38.460 0.299 0.000 0.981 124 Y HN -0.048 nan 8.280 nan 0.000 0.507 125 A N 0.172 123.313 122.820 0.534 0.000 1.908 125 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 125 A C 2.413 180.145 177.584 0.248 0.000 1.181 125 A CA 2.143 54.443 52.037 0.438 0.000 0.627 125 A CB -1.498 17.723 19.000 0.368 0.000 0.818 125 A HN 0.570 nan 8.150 nan 0.000 0.445 126 A N -0.520 122.394 122.820 0.157 0.000 1.898 126 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 126 A C 2.065 179.615 177.584 -0.056 0.000 1.181 126 A CA 1.808 53.880 52.037 0.057 0.000 0.620 126 A CB -0.511 18.511 19.000 0.037 0.000 0.819 126 A HN 0.687 nan 8.150 nan 0.000 0.442 127 E N -1.674 118.421 120.200 -0.175 0.000 2.107 127 E HA -0.111 4.239 4.350 -0.000 0.000 0.191 127 E C 0.933 177.143 176.600 -0.650 0.000 0.982 127 E CA 1.118 57.217 56.400 -0.501 0.000 0.809 127 E CB -0.097 29.126 29.700 -0.795 0.000 0.756 127 E HN 0.591 nan 8.360 nan 0.000 0.459 128 F N -0.813 119.054 119.950 -0.139 0.000 2.682 128 F HA 0.370 4.898 4.527 0.001 0.000 0.308 128 F C 1.149 176.945 175.800 -0.007 0.000 1.093 128 F CA 0.362 58.291 58.000 -0.118 0.000 1.244 128 F CB 1.351 40.192 39.000 -0.264 0.000 1.052 128 F HN 0.127 nan 8.300 nan 0.000 0.573 129 G N 1.448 110.335 108.800 0.146 0.000 2.246 129 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.273 129 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.273 129 G C -0.106 174.878 174.900 0.141 0.000 1.055 129 G CA 0.107 45.282 45.100 0.125 0.000 0.851 129 G HN 0.356 nan 8.290 nan 0.000 0.500 130 Q N 1.157 121.074 119.800 0.195 0.000 2.307 130 Q HA 0.494 4.834 4.340 -0.000 0.000 0.262 130 Q C 0.108 176.097 176.000 -0.018 0.000 0.961 130 Q CA -0.727 55.106 55.803 0.049 0.000 0.882 130 Q CB 1.011 29.798 28.738 0.082 0.000 1.264 130 Q HN 0.498 nan 8.270 nan 0.000 0.446 131 D N 2.667 123.018 120.400 -0.081 0.000 2.304 131 D HA 0.271 4.911 4.640 -0.000 0.000 0.247 131 D C -0.739 175.419 176.300 -0.237 0.000 1.089 131 D CA -0.089 53.952 54.000 0.069 0.000 0.910 131 D CB 0.754 41.594 40.800 0.066 0.000 1.199 131 D HN 0.328 nan 8.370 nan 0.000 0.426 132 F N -0.365 119.774 119.950 0.315 0.000 2.593 132 F HA 0.345 4.871 4.527 -0.000 0.000 0.320 132 F C 0.407 176.341 175.800 0.223 0.000 1.060 132 F CA -1.062 57.033 58.000 0.158 0.000 0.940 132 F CB 2.376 41.362 39.000 -0.022 0.000 1.268 132 F HN 0.279 nan 8.300 nan 0.000 0.475 133 S N 1.482 117.403 115.700 0.368 0.000 2.596 133 S HA 0.787 5.257 4.470 -0.000 0.000 0.318 133 S C -1.639 173.147 174.600 0.310 0.000 1.097 133 S CA -0.427 57.954 58.200 0.301 0.000 1.080 133 S CB 0.696 64.101 63.200 0.342 0.000 0.991 133 S HN 0.395 nan 8.310 nan 0.000 0.471 134 V N 5.932 125.954 119.914 0.180 0.000 2.531 134 V HA 0.569 4.689 4.120 -0.000 0.000 0.301 134 V C -1.019 175.095 176.094 0.034 0.000 1.034 134 V CA -0.707 61.706 62.300 0.187 0.000 0.865 134 V CB 1.261 33.208 31.823 0.206 0.000 0.995 134 V HN 0.831 nan 8.190 nan 0.000 0.424 135 F N 3.972 123.969 119.950 0.077 0.000 2.399 135 F HA 0.598 5.125 4.527 -0.000 0.000 0.334 135 F C 0.406 176.287 175.800 0.135 0.000 1.097 135 F CA -0.661 57.372 58.000 0.055 0.000 1.076 135 F CB 1.379 40.374 39.000 -0.008 0.000 1.162 135 F HN 0.259 nan 8.300 nan 0.000 0.495 136 I N 2.083 122.880 120.570 0.378 0.000 2.342 136 I HA 0.154 4.324 4.170 -0.000 0.000 0.291 136 I C 0.128 176.376 176.117 0.218 0.000 1.010 136 I CA -0.503 60.957 61.300 0.267 0.000 1.308 136 I CB 1.171 39.315 38.000 0.240 0.000 1.400 136 I HN 0.595 nan 8.210 nan 0.000 0.488 137 E N 6.555 126.841 120.200 0.144 0.000 2.344 137 E HA 0.224 4.574 4.350 -0.000 0.000 0.270 137 E C -0.907 175.751 176.600 0.096 0.000 1.021 137 E CA -0.501 55.964 56.400 0.108 0.000 0.887 137 E CB 0.778 30.520 29.700 0.070 0.000 0.997 137 E HN 0.331 nan 8.360 nan 0.000 0.429 138 I N 3.864 124.491 120.570 0.096 0.000 2.412 138 I HA 0.108 4.278 4.170 -0.000 0.000 0.296 138 I C -0.104 176.054 176.117 0.068 0.000 0.987 138 I CA -0.683 60.664 61.300 0.078 0.000 1.180 138 I CB 1.390 39.440 38.000 0.084 0.000 1.340 138 I HN 0.593 nan 8.210 nan 0.000 0.455 139 D N 4.055 124.485 120.400 0.051 0.000 2.352 139 D HA 0.109 4.749 4.640 -0.000 0.000 0.245 139 D C 0.893 177.211 176.300 0.031 0.000 1.224 139 D CA 0.041 54.066 54.000 0.042 0.000 0.879 139 D CB 1.003 41.821 40.800 0.030 0.000 1.057 139 D HN 0.555 nan 8.370 nan 0.000 0.491 140 S N 2.208 117.932 115.700 0.040 0.000 2.511 140 S HA 0.004 4.474 4.470 -0.000 0.000 0.214 140 S C 0.714 175.320 174.600 0.011 0.000 0.997 140 S CA -0.009 58.210 58.200 0.032 0.000 0.908 140 S CB 0.257 63.499 63.200 0.070 0.000 0.803 140 S HN 0.488 nan 8.310 nan 0.000 0.504 141 D N -0.249 120.152 120.400 0.003 0.000 2.525 141 D HA 0.120 4.760 4.640 -0.000 0.000 0.231 141 D C -0.219 175.923 176.300 -0.264 0.000 1.216 141 D CA 0.168 54.140 54.000 -0.047 0.000 0.813 141 D CB -0.550 40.299 40.800 0.082 0.000 1.108 141 D HN 0.082 nan 8.370 nan 0.000 0.524 142 D N 0.440 120.763 120.400 -0.127 0.000 3.059 142 D HA -0.193 4.447 4.640 -0.000 0.000 0.220 142 D C 0.190 176.507 176.300 0.030 0.000 1.169 142 D CA 0.859 54.813 54.000 -0.077 0.000 0.902 142 D CB -1.291 39.461 40.800 -0.079 0.000 1.116 142 D HN 0.491 nan 8.370 nan 0.000 0.417 143 H N -0.899 118.201 119.070 0.050 0.000 2.827 143 H HA 0.217 4.773 4.556 -0.000 0.000 0.269 143 H C 1.624 176.968 175.328 0.027 0.000 1.031 143 H CA 0.949 57.016 56.048 0.031 0.000 1.202 143 H CB 0.790 30.562 29.762 0.016 0.000 1.511 143 H HN 0.551 nan 8.280 nan 0.000 0.517 144 R N -1.456 119.130 120.500 0.144 0.000 3.591 144 R HA 0.552 4.892 4.340 -0.000 0.000 0.246 144 R C 0.481 176.824 176.300 0.071 0.000 1.222 144 R CA -0.561 55.599 56.100 0.099 0.000 0.940 144 R CB 0.143 30.507 30.300 0.106 0.000 1.529 144 R HN -0.014 nan 8.270 nan 0.000 0.441 145 G N -0.999 107.837 108.800 0.061 0.000 2.508 145 G HA2 0.488 4.448 3.960 -0.000 0.000 0.278 145 G HA3 0.488 4.448 3.960 -0.000 0.000 0.278 145 G C 0.059 174.989 174.900 0.050 0.000 1.389 145 G CA -0.356 44.772 45.100 0.046 0.000 1.050 145 G HN 1.032 nan 8.290 nan 0.000 0.522 146 G N -2.020 106.807 108.800 0.044 0.000 2.663 146 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.686 146 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.686 146 G C -0.511 174.412 174.900 0.039 0.000 1.246 146 G CA -0.356 44.773 45.100 0.048 0.000 0.795 146 G HN 0.758 nan 8.290 nan 0.000 0.627 147 I N 1.323 121.916 120.570 0.039 0.000 2.396 147 I HA 0.276 4.446 4.170 -0.000 0.000 0.292 147 I C 0.804 176.937 176.117 0.027 0.000 0.999 147 I CA -0.942 60.375 61.300 0.028 0.000 1.310 147 I CB 1.382 39.397 38.000 0.025 0.000 1.404 147 I HN 0.253 nan 8.210 nan 0.000 0.496 148 K N 6.486 126.896 120.400 0.017 0.000 2.382 148 K HA 0.131 4.451 4.320 -0.000 0.000 0.275 148 K C -1.623 174.985 176.600 0.013 0.000 1.009 148 K CA -1.528 54.766 56.287 0.012 0.000 0.970 148 K CB 0.617 33.120 32.500 0.005 0.000 0.934 148 K HN 0.243 nan 8.250 nan 0.000 0.479 149 P HA -0.153 nan 4.420 nan 0.000 0.218 149 P C 0.855 178.159 177.300 0.007 0.000 1.146 149 P CA 1.306 64.415 63.100 0.015 0.000 0.813 149 P CB 0.251 31.959 31.700 0.014 0.000 0.778 150 S N -2.850 112.852 115.700 0.002 0.000 2.575 150 S HA 0.030 4.500 4.470 -0.000 0.000 0.215 150 S C 0.733 175.331 174.600 -0.003 0.000 0.966 150 S CA -0.315 57.884 58.200 -0.001 0.000 0.911 150 S CB -0.738 62.460 63.200 -0.003 0.000 0.780 150 S HN -0.013 nan 8.310 nan 0.000 0.514 151 D N 2.885 123.284 120.400 -0.002 0.000 2.343 151 D HA 0.168 4.808 4.640 -0.000 0.000 0.255 151 D C 1.346 177.641 176.300 -0.009 0.000 1.187 151 D CA 0.346 54.343 54.000 -0.004 0.000 0.875 151 D CB 1.629 42.428 40.800 -0.001 0.000 1.136 151 D HN 0.279 nan 8.370 nan 0.000 0.469 152 S N 3.621 119.315 115.700 -0.010 0.000 2.469 152 S HA -0.246 4.224 4.470 -0.000 0.000 0.238 152 S C 1.582 176.169 174.600 -0.021 0.000 0.998 152 S CA 1.073 59.265 58.200 -0.015 0.000 0.957 152 S CB -0.325 62.868 63.200 -0.012 0.000 0.764 152 S HN 0.699 nan 8.310 nan 0.000 0.514 153 K N 0.761 121.151 120.400 -0.018 0.000 2.365 153 K HA 0.046 4.366 4.320 -0.000 0.000 0.199 153 K C 1.986 178.564 176.600 -0.036 0.000 1.045 153 K CA 0.836 57.109 56.287 -0.023 0.000 0.962 153 K CB -0.459 32.032 32.500 -0.014 0.000 0.759 153 K HN 0.355 nan 8.250 nan 0.000 0.469 154 L N 1.858 123.060 121.223 -0.035 0.000 2.042 154 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 154 L C 2.008 178.818 176.870 -0.100 0.000 1.076 154 L CA 1.579 56.386 54.840 -0.054 0.000 0.749 154 L CB -0.349 41.690 42.059 -0.032 0.000 0.893 154 L HN 0.247 nan 8.230 nan 0.000 0.432 155 L N -1.475 119.701 121.223 -0.079 0.000 2.027 155 L HA -0.180 4.160 4.340 -0.000 0.000 0.206 155 L C 2.365 179.176 176.870 -0.098 0.000 1.074 155 L CA 1.707 56.492 54.840 -0.093 0.000 0.745 155 L CB -1.407 40.619 42.059 -0.056 0.000 0.898 155 L HN 0.258 nan 8.230 nan 0.000 0.433 156 T N 0.536 115.049 114.554 -0.068 0.000 2.684 156 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 156 T C 1.953 176.613 174.700 -0.068 0.000 1.036 156 T CA 1.488 63.556 62.100 -0.055 0.000 1.148 156 T CB -0.241 68.606 68.868 -0.034 0.000 0.863 156 T HN 0.186 nan 8.240 nan 0.000 0.436 157 I N 1.256 121.778 120.570 -0.079 0.000 2.202 157 I HA -0.153 4.017 4.170 -0.000 0.000 0.242 157 I C 2.948 178.976 176.117 -0.147 0.000 1.091 157 I CA 1.086 62.337 61.300 -0.082 0.000 1.368 157 I CB -0.500 37.465 38.000 -0.059 0.000 1.058 157 I HN 0.192 nan 8.210 nan 0.000 0.410 158 A N 0.861 123.509 122.820 -0.288 0.000 1.902 158 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 158 A C 2.317 179.723 177.584 -0.297 0.000 1.181 158 A CA 1.683 53.383 52.037 -0.562 0.000 0.623 158 A CB -0.460 17.987 19.000 -0.921 0.000 0.818 158 A HN 0.323 nan 8.150 nan 0.000 0.443 159 K N -0.951 119.346 120.400 -0.173 0.000 2.057 159 K HA -0.096 4.223 4.320 -0.000 0.000 0.207 159 K C 2.093 178.678 176.600 -0.026 0.000 1.049 159 K CA 1.706 57.947 56.287 -0.077 0.000 0.931 159 K CB -0.438 32.030 32.500 -0.054 0.000 0.714 159 K HN 0.467 nan 8.250 nan 0.000 0.440 160 T N 2.032 116.572 114.554 -0.024 0.000 2.759 160 T HA -0.117 4.233 4.350 -0.000 0.000 0.269 160 T C 1.790 176.531 174.700 0.068 0.000 1.042 160 T CA 1.085 63.195 62.100 0.017 0.000 1.140 160 T CB -0.149 68.723 68.868 0.007 0.000 0.864 160 T HN 0.125 nan 8.240 nan 0.000 0.455 161 L N 0.322 121.589 121.223 0.073 0.000 2.201 161 L HA 0.095 4.435 4.340 -0.000 0.000 0.212 161 L C 2.189 179.195 176.870 0.226 0.000 1.105 161 L CA 0.567 55.520 54.840 0.189 0.000 0.775 161 L CB -1.266 40.918 42.059 0.209 0.000 0.913 161 L HN 0.496 nan 8.230 nan 0.000 0.440 162 G N 1.364 110.238 108.800 0.124 0.000 2.672 162 G HA2 -0.443 3.517 3.960 -0.000 0.000 0.324 162 G HA3 -0.443 3.517 3.960 -0.000 0.000 0.324 162 G C 0.988 175.934 174.900 0.077 0.000 1.286 162 G CA 0.690 45.840 45.100 0.084 0.000 1.004 162 G HN 0.494 nan 8.290 nan 0.000 0.548 163 E N 0.886 121.048 120.200 -0.062 0.000 2.333 163 E HA -0.176 4.174 4.350 -0.000 0.000 0.198 163 E C 1.740 178.275 176.600 -0.109 0.000 1.007 163 E CA 1.839 58.171 56.400 -0.112 0.000 0.845 163 E CB -0.488 29.097 29.700 -0.192 0.000 0.766 163 E HN 0.818 nan 8.360 nan 0.000 0.507 164 H N -0.208 118.960 119.070 0.164 0.000 2.547 164 H HA 0.054 4.609 4.556 -0.001 0.000 0.272 164 H C 0.119 175.551 175.328 0.174 0.000 0.989 164 H CA 0.144 56.302 56.048 0.183 0.000 1.214 164 H CB -0.382 29.517 29.762 0.228 0.000 1.389 164 H HN 0.120 nan 8.280 nan 0.000 0.577 165 F N 2.538 122.548 119.950 0.101 0.000 2.502 165 F HA 0.068 4.595 4.527 0.001 0.000 0.371 165 F C 0.890 176.651 175.800 -0.065 0.000 1.083 165 F CA 0.063 58.073 58.000 0.016 0.000 1.174 165 F CB 0.923 39.929 39.000 0.010 0.000 1.096 165 F HN -0.205 nan 8.300 nan 0.000 0.545 166 T N 3.572 117.630 114.554 -0.826 0.000 3.034 166 T HA 0.490 4.840 4.350 -0.000 0.000 0.248 166 T C 0.642 174.565 174.700 -1.294 0.000 1.040 166 T CA 0.464 62.022 62.100 -0.904 0.000 1.107 166 T CB 0.088 68.498 68.868 -0.763 0.000 0.932 166 T HN 0.872 nan 8.240 nan 0.000 0.474 167 G N 0.122 107.945 108.800 -1.628 0.000 2.367 167 G HA2 0.434 4.394 3.960 -0.000 0.000 0.272 167 G HA3 0.434 4.394 3.960 -0.000 0.000 0.272 167 G C -2.091 172.641 174.900 -0.280 0.000 1.271 167 G CA -0.936 43.569 45.100 -0.992 0.000 0.893 167 G HN 0.195 nan 8.290 nan 0.000 0.485 171 H N 1.992 121.096 119.070 0.058 0.000 2.727 171 H HA 0.735 5.290 4.556 -0.000 0.000 0.330 171 H C -0.117 175.259 175.328 0.081 0.000 0.986 171 H CA 0.080 56.168 56.048 0.066 0.000 1.251 171 H CB 1.326 31.116 29.762 0.047 0.000 1.493 171 H HN 0.733 nan 8.280 nan 0.000 0.515 172 A N 4.071 126.778 122.820 -0.188 0.000 3.126 172 A HA 0.306 4.626 4.320 -0.000 0.000 0.268 172 A C 1.713 179.044 177.584 -0.421 0.000 1.605 172 A CA 0.145 52.102 52.037 -0.133 0.000 1.305 172 A CB -0.961 18.128 19.000 0.149 0.000 1.160 172 A HN 0.986 nan 8.150 nan 0.000 0.609 173 G N 0.745 109.161 108.800 -0.641 0.000 2.470 173 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.220 173 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.220 173 G C 1.331 176.050 174.900 -0.301 0.000 1.121 173 G CA 0.978 45.738 45.100 -0.567 0.000 0.766 173 G HN 0.776 nan 8.290 nan 0.000 0.553 174 G N 0.984 109.685 108.800 -0.165 0.000 2.498 174 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.219 174 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.219 174 G C 2.058 176.566 174.900 -0.653 0.000 1.119 174 G CA 1.485 46.531 45.100 -0.089 0.000 0.766 174 G HN 0.674 nan 8.290 nan 0.000 0.552 175 S N -0.295 114.758 115.700 -1.078 0.000 2.469 175 S HA -0.118 4.352 4.470 -0.000 0.000 0.238 175 S C 1.906 176.318 174.600 -0.313 0.000 0.998 175 S CA 0.674 58.228 58.200 -1.076 0.000 0.957 175 S CB -0.528 62.279 63.200 -0.656 0.000 0.764 175 S HN 0.365 nan 8.310 nan 0.000 0.514 176 Y N 1.851 121.945 120.300 -0.342 0.000 2.574 176 Y HA 0.273 4.823 4.550 0.000 0.000 0.294 176 Y C 2.563 178.370 175.900 -0.155 0.000 1.142 176 Y CA -0.328 57.653 58.100 -0.197 0.000 1.314 176 Y CB -0.920 37.452 38.460 -0.148 0.000 0.991 176 Y HN 0.453 nan 8.280 nan 0.000 0.555 177 A N -1.486 121.329 122.820 -0.008 0.000 2.167 177 A HA 0.013 4.333 4.320 -0.000 0.000 0.214 177 A C 1.084 178.655 177.584 -0.021 0.000 1.151 177 A CA 0.056 52.095 52.037 0.003 0.000 0.735 177 A CB -0.937 18.095 19.000 0.054 0.000 0.802 177 A HN 0.295 nan 8.150 nan 0.000 0.467 178 C N 0.836 120.093 119.300 -0.071 0.000 2.534 178 C HA 0.427 4.887 4.460 -0.000 0.000 0.385 178 C C 1.116 176.040 174.990 -0.109 0.000 1.264 178 C CA 0.168 59.142 59.018 -0.074 0.000 2.342 178 C CB 0.357 28.032 27.740 -0.108 0.000 2.564 178 C HN 0.794 nan 8.230 nan 0.000 0.603 179 N N -0.932 117.705 118.700 -0.104 0.000 2.193 179 N HA 0.098 4.838 4.740 -0.000 0.000 0.236 179 N C -0.531 174.906 175.510 -0.121 0.000 1.347 179 N CA -0.176 52.803 53.050 -0.118 0.000 0.812 179 N CB -0.075 38.365 38.487 -0.078 0.000 1.297 179 N HN 0.747 nan 8.380 nan 0.000 0.499 180 T N -3.856 110.615 114.554 -0.138 0.000 2.906 180 T HA 0.401 4.751 4.350 -0.000 0.000 0.295 180 T C 0.607 175.191 174.700 -0.193 0.000 1.061 180 T CA -0.700 61.327 62.100 -0.121 0.000 1.000 180 T CB 2.755 71.585 68.868 -0.064 0.000 1.103 180 T HN 0.043 nan 8.240 nan 0.000 0.486 181 E N 0.312 120.432 120.200 -0.133 0.000 2.077 181 E HA -0.251 4.099 4.350 -0.000 0.000 0.193 181 E C 1.860 178.431 176.600 -0.049 0.000 0.989 181 E CA 1.370 57.708 56.400 -0.104 0.000 0.800 181 E CB -0.015 29.751 29.700 0.109 0.000 0.746 181 E HN 0.684 nan 8.360 nan 0.000 0.452 182 Q N 0.006 119.796 119.800 -0.016 0.000 2.119 182 Q HA -0.051 4.289 4.340 -0.000 0.000 0.201 182 Q C 1.961 177.958 176.000 -0.005 0.000 0.972 182 Q CA 1.903 57.709 55.803 0.006 0.000 0.847 182 Q CB -0.699 28.043 28.738 0.006 0.000 0.903 182 Q HN 0.361 nan 8.270 nan 0.000 0.433 183 G N 0.223 109.007 108.800 -0.027 0.000 2.418 183 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.217 183 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.217 183 G C 1.318 176.236 174.900 0.030 0.000 1.158 183 G CA 0.939 46.042 45.100 0.006 0.000 0.771 183 G HN 0.380 nan 8.290 nan 0.000 0.545 184 L N -0.128 121.037 121.223 -0.096 0.000 2.027 184 L HA -0.012 4.328 4.340 -0.000 0.000 0.206 184 L C 2.959 179.873 176.870 0.075 0.000 1.074 184 L CA 1.265 56.035 54.840 -0.117 0.000 0.745 184 L CB -0.286 41.393 42.059 -0.632 0.000 0.898 184 L HN 0.138 nan 8.230 nan 0.000 0.433 185 K N -0.110 120.343 120.400 0.090 0.000 2.063 185 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 185 K C 1.944 178.594 176.600 0.084 0.000 1.048 185 K CA 1.591 57.956 56.287 0.130 0.000 0.928 185 K CB -0.247 32.317 32.500 0.107 0.000 0.713 185 K HN 0.264 nan 8.250 nan 0.000 0.442 186 N N 0.462 119.197 118.700 0.058 0.000 2.120 186 N HA -0.147 4.593 4.740 -0.000 0.000 0.188 186 N C 1.614 177.134 175.510 0.017 0.000 1.024 186 N CA 1.068 54.128 53.050 0.017 0.000 0.852 186 N CB -0.391 38.089 38.487 -0.011 0.000 1.003 186 N HN 0.058 nan 8.380 nan 0.000 0.424 187 F N 1.578 121.526 119.950 -0.003 0.000 2.171 187 F HA -0.044 4.483 4.527 -0.000 0.000 0.300 187 F C 2.241 178.060 175.800 0.032 0.000 1.090 187 F CA 0.906 58.909 58.000 0.005 0.000 1.293 187 F CB -0.491 38.509 39.000 -0.001 0.000 1.013 187 F HN 0.026 nan 8.300 nan 0.000 0.486 188 A N -0.455 122.530 122.820 0.276 0.000 1.902 188 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 188 A C 2.274 179.934 177.584 0.126 0.000 1.181 188 A CA 1.863 54.036 52.037 0.225 0.000 0.623 188 A CB -0.749 18.377 19.000 0.209 0.000 0.818 188 A HN 0.387 nan 8.150 nan 0.000 0.443 189 K N -0.467 119.965 120.400 0.053 0.000 2.097 189 K HA -0.215 4.105 4.320 -0.000 0.000 0.206 189 K C 2.301 178.897 176.600 -0.007 0.000 1.049 189 K CA 1.603 57.891 56.287 0.001 0.000 0.933 189 K CB -0.196 32.290 32.500 -0.024 0.000 0.717 189 K HN 0.643 nan 8.250 nan 0.000 0.442 190 Q N 0.766 120.537 119.800 -0.047 0.000 2.084 190 Q HA -0.246 4.094 4.340 -0.000 0.000 0.202 190 Q C 1.974 177.960 176.000 -0.023 0.000 0.978 190 Q CA 1.865 57.604 55.803 -0.106 0.000 0.844 190 Q CB -0.034 28.513 28.738 -0.319 0.000 0.898 190 Q HN 0.426 nan 8.270 nan 0.000 0.426 191 E N -0.507 119.732 120.200 0.065 0.000 2.031 191 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 191 E C 2.029 178.692 176.600 0.105 0.000 0.994 191 E CA 1.552 58.024 56.400 0.120 0.000 0.800 191 E CB -0.108 29.712 29.700 0.200 0.000 0.752 191 E HN 0.499 nan 8.360 nan 0.000 0.447 192 C N 1.330 120.701 119.300 0.117 0.000 2.429 192 C HA -0.103 4.357 4.460 -0.000 0.000 0.277 192 C C 2.233 177.263 174.990 0.066 0.000 1.262 192 C CA 0.707 59.792 59.018 0.113 0.000 1.733 192 C CB -0.876 26.934 27.740 0.116 0.000 2.010 192 C HN 0.534 nan 8.230 nan 0.000 0.483 193 D N 0.884 121.305 120.400 0.034 0.000 2.178 193 D HA -0.073 4.567 4.640 -0.000 0.000 0.201 193 D C 2.254 178.565 176.300 0.019 0.000 0.980 193 D CA 1.533 55.542 54.000 0.015 0.000 0.842 193 D CB -0.452 40.343 40.800 -0.009 0.000 0.948 193 D HN 0.502 nan 8.370 nan 0.000 0.472 194 A N 0.461 123.294 122.820 0.022 0.000 1.883 194 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 194 A C 2.512 180.122 177.584 0.042 0.000 1.186 194 A CA 1.357 53.409 52.037 0.024 0.000 0.624 194 A CB -0.746 18.270 19.000 0.027 0.000 0.822 194 A HN 0.161 nan 8.150 nan 0.000 0.444 195 V N -0.113 119.837 119.914 0.059 0.000 2.427 195 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 195 V C 2.616 178.745 176.094 0.059 0.000 1.051 195 V CA 2.129 64.472 62.300 0.070 0.000 1.048 195 V CB -0.836 31.039 31.823 0.087 0.000 0.666 195 V HN 0.518 nan 8.190 nan 0.000 0.456 196 R N -0.186 120.344 120.500 0.050 0.000 2.073 196 R HA -0.107 4.233 4.340 -0.000 0.000 0.234 196 R C 2.247 178.566 176.300 0.032 0.000 1.134 196 R CA 1.741 57.864 56.100 0.039 0.000 0.952 196 R CB -0.442 29.877 30.300 0.032 0.000 0.850 196 R HN 0.428 nan 8.270 nan 0.000 0.433 197 I N 0.547 121.132 120.570 0.026 0.000 2.179 197 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 197 I C 2.638 178.770 176.117 0.025 0.000 1.088 197 I CA 1.250 62.562 61.300 0.019 0.000 1.357 197 I CB -0.424 37.583 38.000 0.011 0.000 1.051 197 I HN 0.200 nan 8.210 nan 0.000 0.409 198 A N 0.802 123.643 122.820 0.034 0.000 1.883 198 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 198 A C 2.460 180.073 177.584 0.048 0.000 1.186 198 A CA 1.933 53.995 52.037 0.041 0.000 0.624 198 A CB -0.697 18.337 19.000 0.057 0.000 0.822 198 A HN 0.370 nan 8.150 nan 0.000 0.444 199 R N -0.360 120.173 120.500 0.054 0.000 2.081 199 R HA -0.171 4.169 4.340 -0.000 0.000 0.235 199 R C 1.789 178.113 176.300 0.040 0.000 1.131 199 R CA 1.787 57.919 56.100 0.054 0.000 0.960 199 R CB -0.351 29.975 30.300 0.044 0.000 0.856 199 R HN 0.523 nan 8.270 nan 0.000 0.436 200 N N 1.001 119.720 118.700 0.031 0.000 2.120 200 N HA -0.152 4.587 4.740 -0.000 0.000 0.188 200 N C 1.325 176.848 175.510 0.022 0.000 1.024 200 N CA 1.352 54.417 53.050 0.025 0.000 0.852 200 N CB -0.556 37.942 38.487 0.019 0.000 1.003 200 N HN 0.302 nan 8.380 nan 0.000 0.424 201 N N 0.957 119.668 118.700 0.019 0.000 2.166 201 N HA -0.041 4.699 4.740 -0.000 0.000 0.186 201 N C 1.930 177.445 175.510 0.009 0.000 1.019 201 N CA 0.431 53.488 53.050 0.011 0.000 0.856 201 N CB -0.423 38.067 38.487 0.006 0.000 0.993 201 N HN 0.263 nan 8.380 nan 0.000 0.426 202 L N 1.360 122.592 121.223 0.015 0.000 1.989 202 L HA -0.165 4.175 4.340 -0.000 0.000 0.211 202 L C 2.179 179.067 176.870 0.030 0.000 1.071 202 L CA 1.364 56.213 54.840 0.014 0.000 0.749 202 L CB -0.384 41.700 42.059 0.042 0.000 0.890 202 L HN 0.193 nan 8.230 nan 0.000 0.431 203 E N -0.720 119.505 120.200 0.041 0.000 2.110 203 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 203 E C 2.077 178.698 176.600 0.036 0.000 0.988 203 E CA 1.655 58.085 56.400 0.049 0.000 0.804 203 E CB -0.125 29.605 29.700 0.050 0.000 0.745 203 E HN 0.451 nan 8.360 nan 0.000 0.458 204 T N 0.779 115.348 114.554 0.024 0.000 2.759 204 T HA -0.154 4.196 4.350 -0.000 0.000 0.269 204 T C 1.817 176.526 174.700 0.014 0.000 1.042 204 T CA 1.275 63.386 62.100 0.017 0.000 1.140 204 T CB -0.118 68.757 68.868 0.012 0.000 0.864 204 T HN 0.223 nan 8.240 nan 0.000 0.455 205 A N 0.114 122.940 122.820 0.010 0.000 2.238 205 A HA 0.513 4.833 4.320 -0.000 0.000 0.208 205 A C 1.844 179.434 177.584 0.010 0.000 1.177 205 A CA 0.829 52.868 52.037 0.003 0.000 0.804 205 A CB -0.598 18.396 19.000 -0.010 0.000 0.823 205 A HN 0.747 nan 8.150 nan 0.000 0.482 206 G N -1.110 107.704 108.800 0.024 0.000 2.131 206 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.223 206 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.223 206 G C -0.044 174.889 174.900 0.055 0.000 0.990 206 G CA 0.126 45.247 45.100 0.035 0.000 0.671 206 G HN 0.436 nan 8.290 nan 0.000 0.521 207 I N 0.990 121.597 120.570 0.061 0.000 2.336 207 I HA 0.371 4.541 4.170 -0.000 0.000 0.292 207 I C 0.505 176.728 176.117 0.177 0.000 0.991 207 I CA -1.202 60.156 61.300 0.096 0.000 1.227 207 I CB 1.229 39.237 38.000 0.014 0.000 1.366 207 I HN 0.220 nan 8.210 nan 0.000 0.466 208 H N 5.774 124.919 119.070 0.126 0.000 2.690 208 H HA 0.283 4.838 4.556 -0.000 0.000 0.314 208 H C -1.063 174.374 175.328 0.181 0.000 1.069 208 H CA -0.213 55.904 56.048 0.116 0.000 1.436 208 H CB 0.766 30.570 29.762 0.070 0.000 1.462 208 H HN 0.593 nan 8.280 nan 0.000 0.511 209 C N 5.837 124.926 119.300 -0.352 0.000 2.239 209 C HA 0.478 4.938 4.460 -0.000 0.000 0.323 209 C C 1.648 176.248 174.990 -0.651 0.000 1.205 209 C CA 0.125 58.929 59.018 -0.356 0.000 1.584 209 C CB -0.774 26.898 27.740 -0.113 0.000 2.201 209 C HN 1.039 nan 8.230 nan 0.000 0.475 210 A N 4.097 126.547 122.820 -0.616 0.000 1.897 210 A HA 0.193 4.512 4.320 -0.000 0.000 0.215 210 A C 0.696 178.136 177.584 -0.240 0.000 1.181 210 A CA 1.221 53.034 52.037 -0.373 0.000 0.620 210 A CB 0.005 18.883 19.000 -0.203 0.000 0.821 210 A HN 0.786 nan 8.150 nan 0.000 0.443 211 I N 0.435 120.837 120.570 -0.280 0.000 2.533 211 I HA 0.295 4.465 4.170 -0.000 0.000 0.290 211 I C -0.687 175.411 176.117 -0.032 0.000 1.056 211 I CA -0.574 60.656 61.300 -0.118 0.000 1.057 211 I CB 2.454 40.421 38.000 -0.056 0.000 1.240 211 I HN 0.146 nan 8.210 nan 0.000 0.423 212 T N 1.227 115.802 114.554 0.034 0.000 2.797 212 T HA 0.576 4.926 4.350 -0.000 0.000 0.279 212 T C -0.435 174.321 174.700 0.093 0.000 0.991 212 T CA -0.774 61.373 62.100 0.080 0.000 0.979 212 T CB 1.779 70.682 68.868 0.059 0.000 0.943 212 T HN 0.472 nan 8.240 nan 0.000 0.444 213 S N 2.077 117.838 115.700 0.101 0.000 2.672 213 S HA 0.670 5.139 4.470 -0.000 0.000 0.291 213 S C -0.455 174.162 174.600 0.029 0.000 1.145 213 S CA -0.595 57.622 58.200 0.028 0.000 1.013 213 S CB 0.614 63.782 63.200 -0.054 0.000 1.017 213 S HN 1.210 nan 8.310 nan 0.000 0.487 214 V N 1.609 121.534 119.914 0.018 0.000 3.046 214 V HA 1.111 5.231 4.120 -0.000 0.000 0.316 214 V C 0.199 176.315 176.094 0.037 0.000 1.104 214 V CA -0.112 62.222 62.300 0.057 0.000 1.006 214 V CB 1.069 32.957 31.823 0.109 0.000 1.058 214 V HN 1.485 nan 8.190 nan 0.000 0.440 215 G N 0.989 109.855 108.800 0.109 0.000 2.329 215 G HA2 0.607 4.566 3.960 -0.000 0.000 0.308 215 G HA3 0.607 4.566 3.960 -0.000 0.000 0.308 215 G C -0.851 174.200 174.900 0.251 0.000 1.587 215 G CA -0.009 45.163 45.100 0.120 0.000 0.978 215 G HN 2.252 nan 8.290 nan 0.000 0.685 216 S N -0.813 115.016 115.700 0.214 0.000 2.625 216 S HA 0.753 5.223 4.470 -0.000 0.000 0.271 216 S C 0.890 175.638 174.600 0.247 0.000 1.161 216 S CA 0.443 58.823 58.200 0.300 0.000 0.820 216 S CB 1.516 64.824 63.200 0.179 0.000 1.137 216 S HN 0.968 nan 8.310 nan 0.000 0.470 217 T N 2.442 117.162 114.554 0.277 0.000 2.684 217 T HA 0.033 4.383 4.350 -0.000 0.000 0.267 217 T C -1.210 173.677 174.700 0.311 0.000 1.036 217 T CA 2.201 64.460 62.100 0.265 0.000 1.148 217 T CB -1.455 67.540 68.868 0.212 0.000 0.863 217 T HN 0.546 nan 8.240 nan 0.000 0.436 218 P HA -0.087 nan 4.420 nan 0.000 0.215 218 P C 1.931 179.432 177.300 0.336 0.000 1.157 218 P CA 1.608 64.821 63.100 0.189 0.000 0.863 218 P CB -0.400 31.273 31.700 -0.046 0.000 0.787 219 T N -2.770 111.937 114.554 0.255 0.000 2.867 219 T HA -0.011 4.339 4.350 -0.000 0.000 0.268 219 T C 1.948 176.875 174.700 0.378 0.000 1.057 219 T CA 1.127 63.410 62.100 0.306 0.000 1.136 219 T CB -1.239 67.785 68.868 0.259 0.000 0.874 219 T HN -0.013 nan 8.240 nan 0.000 0.466 220 A N 1.400 124.383 122.820 0.271 0.000 1.972 220 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 220 A C 2.064 179.718 177.584 0.117 0.000 1.169 220 A CA 1.642 53.752 52.037 0.122 0.000 0.635 220 A CB -0.954 17.986 19.000 -0.099 0.000 0.810 220 A HN 0.699 nan 8.150 nan 0.000 0.446 221 H N -3.244 115.930 119.070 0.173 0.000 2.535 221 H HA 0.228 4.784 4.556 -0.000 0.000 0.273 221 H C 0.742 175.948 175.328 -0.204 0.000 0.983 221 H CA 1.107 57.184 56.048 0.049 0.000 1.238 221 H CB 0.090 29.901 29.762 0.082 0.000 1.412 221 H HN 0.560 nan 8.280 nan 0.000 0.562 222 F N -1.121 118.959 119.950 0.217 0.000 2.784 222 F HA 0.295 4.822 4.527 -0.000 0.000 0.323 222 F C 1.702 177.537 175.800 0.057 0.000 1.085 222 F CA -0.056 58.021 58.000 0.127 0.000 1.196 222 F CB 0.359 39.423 39.000 0.105 0.000 1.053 222 F HN -0.001 nan 8.300 nan 0.000 0.578 223 G N 0.693 109.610 108.800 0.196 0.000 2.414 223 G HA2 0.092 4.052 3.960 -0.000 0.000 0.236 223 G HA3 0.092 4.052 3.960 -0.000 0.000 0.236 223 G C 0.569 175.257 174.900 -0.354 0.000 1.293 223 G CA -0.121 44.897 45.100 -0.137 0.000 0.869 223 G HN 0.417 nan 8.290 nan 0.000 0.556 224 E N -0.179 119.814 120.200 -0.344 0.000 2.460 224 E HA 0.055 4.404 4.350 -0.000 0.000 0.200 224 E C -0.369 176.035 176.600 -0.327 0.000 1.011 224 E CA 0.067 56.312 56.400 -0.259 0.000 0.912 224 E CB 0.721 30.344 29.700 -0.128 0.000 0.953 224 E HN 0.444 nan 8.360 nan 0.000 0.494 225 D N -0.656 119.435 120.400 -0.516 0.000 2.365 225 D HA 0.107 4.747 4.640 -0.000 0.000 0.235 225 D C -1.060 174.993 176.300 -0.411 0.000 1.368 225 D CA -0.446 53.341 54.000 -0.355 0.000 1.001 225 D CB 0.188 40.879 40.800 -0.180 0.000 1.364 225 D HN -0.160 nan 8.370 nan 0.000 0.577 226 F N 1.338 121.273 119.950 -0.025 0.000 2.668 226 F HA 0.127 4.653 4.527 -0.000 0.000 0.301 226 F C 2.335 178.118 175.800 -0.028 0.000 1.106 226 F CA -0.108 57.877 58.000 -0.025 0.000 1.289 226 F CB 0.151 39.125 39.000 -0.044 0.000 1.006 226 F HN 0.312 nan 8.300 nan 0.000 0.535 227 S N -0.341 115.412 115.700 0.088 0.000 2.442 227 S HA -0.174 4.296 4.470 -0.000 0.000 0.236 227 S C 1.283 175.917 174.600 0.057 0.000 1.007 227 S CA 1.486 59.718 58.200 0.052 0.000 0.965 227 S CB -0.381 62.829 63.200 0.015 0.000 0.773 227 S HN 0.492 nan 8.310 nan 0.000 0.504 228 D N 0.265 120.704 120.400 0.065 0.000 2.462 228 D HA 0.215 4.855 4.640 -0.000 0.000 0.221 228 D C -0.082 176.262 176.300 0.074 0.000 1.173 228 D CA -0.410 53.626 54.000 0.059 0.000 0.831 228 D CB -0.088 40.737 40.800 0.042 0.000 1.001 228 D HN 0.321 nan 8.370 nan 0.000 0.499 229 I N 1.285 121.918 120.570 0.105 0.000 2.378 229 I HA 0.146 4.316 4.170 -0.000 0.000 0.291 229 I C 1.236 177.399 176.117 0.077 0.000 0.992 229 I CA -0.497 60.867 61.300 0.107 0.000 1.154 229 I CB 1.794 39.900 38.000 0.178 0.000 1.315 229 I HN -0.176 nan 8.210 nan 0.000 0.448 230 S N 4.648 120.384 115.700 0.059 0.000 2.368 230 S HA -0.103 4.367 4.470 -0.000 0.000 0.225 230 S C 0.510 175.144 174.600 0.056 0.000 1.030 230 S CA 0.959 59.195 58.200 0.060 0.000 0.999 230 S CB -0.071 63.156 63.200 0.044 0.000 0.844 230 S HN 0.824 nan 8.310 nan 0.000 0.459 231 E N -0.679 119.527 120.200 0.010 0.000 2.390 231 E HA 0.598 4.948 4.350 -0.000 0.000 0.280 231 E C -1.893 174.634 176.600 -0.122 0.000 0.992 231 E CA -0.939 55.439 56.400 -0.036 0.000 0.790 231 E CB 1.673 31.360 29.700 -0.021 0.000 1.248 231 E HN -0.089 nan 8.360 nan 0.000 0.447 232 V N 1.675 121.468 119.914 -0.201 0.000 2.540 232 V HA 0.517 4.637 4.120 -0.000 0.000 0.302 232 V C -0.343 175.646 176.094 -0.176 0.000 1.035 232 V CA -0.797 61.325 62.300 -0.295 0.000 0.873 232 V CB 1.541 32.991 31.823 -0.621 0.000 0.992 232 V HN 0.595 nan 8.190 nan 0.000 0.428 233 R N 2.821 123.261 120.500 -0.100 0.000 2.589 233 R HA 0.914 5.254 4.340 -0.000 0.000 0.293 233 R C -0.579 175.749 176.300 0.046 0.000 0.963 233 R CA -0.512 55.578 56.100 -0.016 0.000 0.905 233 R CB 2.160 32.469 30.300 0.015 0.000 1.144 233 R HN 0.857 nan 8.270 nan 0.000 0.459 234 A N 0.409 123.292 122.820 0.105 0.000 2.605 234 A HA 0.662 4.982 4.320 -0.000 0.000 0.294 234 A C -0.188 177.632 177.584 0.394 0.000 1.062 234 A CA -0.182 51.968 52.037 0.189 0.000 0.682 234 A CB 1.717 20.677 19.000 -0.067 0.000 1.278 234 A HN 0.767 nan 8.150 nan 0.000 0.410 235 G N -0.852 108.188 108.800 0.400 0.000 2.414 235 G HA2 0.326 4.286 3.960 -0.000 0.000 0.198 235 G HA3 0.326 4.286 3.960 -0.000 0.000 0.198 235 G C 1.003 175.966 174.900 0.105 0.000 1.399 235 G CA 1.210 46.468 45.100 0.264 0.000 0.618 235 G HN 1.347 nan 8.290 nan 0.000 1.054 236 V N 1.885 121.888 119.914 0.147 0.000 2.809 236 V HA -0.044 4.076 4.120 -0.000 0.000 0.256 236 V C 2.436 178.407 176.094 -0.206 0.000 1.080 236 V CA 2.009 64.323 62.300 0.023 0.000 1.102 236 V CB -0.706 31.196 31.823 0.132 0.000 0.705 236 V HN 0.566 nan 8.190 nan 0.000 0.475 237 Y N 1.282 121.335 120.300 -0.412 0.000 2.384 237 Y HA -0.203 4.347 4.550 -0.000 0.000 0.289 237 Y C 2.424 177.889 175.900 -0.726 0.000 1.152 237 Y CA 1.535 59.022 58.100 -1.022 0.000 1.258 237 Y CB -2.127 36.069 38.460 -0.441 0.000 0.979 237 Y HN 0.414 nan 8.280 nan 0.000 0.549 238 T N -1.669 112.307 114.554 -0.965 0.000 2.620 238 T HA -0.322 4.027 4.350 -0.000 0.000 0.267 238 T C 1.647 176.146 174.700 -0.335 0.000 1.044 238 T CA 2.803 64.525 62.100 -0.630 0.000 1.161 238 T CB -1.293 67.336 68.868 -0.399 0.000 0.862 238 T HN 0.693 nan 8.240 nan 0.000 0.438 239 T N -2.569 111.822 114.554 -0.272 0.000 2.959 239 T HA 0.441 4.790 4.350 -0.000 0.000 0.254 239 T C 0.458 175.189 174.700 0.051 0.000 1.003 239 T CA -0.470 61.575 62.100 -0.091 0.000 0.950 239 T CB -0.334 68.497 68.868 -0.062 0.000 1.090 239 T HN 0.318 nan 8.240 nan 0.000 0.503 240 F N 2.430 122.381 119.950 0.001 0.000 2.170 240 F HA 0.060 4.586 4.527 -0.000 0.000 0.315 240 F C 0.255 176.047 175.800 -0.013 0.000 0.130 240 F CA 1.232 59.227 58.000 -0.008 0.000 0.904 240 F CB -1.159 37.828 39.000 -0.020 0.000 4.095 240 F HN 0.764 nan 8.300 nan 0.000 0.165 241 D N -2.557 117.969 120.400 0.211 0.000 2.769 241 D HA 0.381 5.021 4.640 -0.000 0.000 0.309 241 D C -0.161 176.130 176.300 -0.015 0.000 1.315 241 D CA -0.561 53.486 54.000 0.079 0.000 0.780 241 D CB -0.089 40.774 40.800 0.105 0.000 1.312 241 D HN 0.411 nan 8.370 nan 0.000 0.437 242 L N -0.054 121.121 121.223 -0.080 0.000 2.156 242 L HA 0.111 4.451 4.340 -0.000 0.000 0.208 242 L C 1.217 178.032 176.870 -0.092 0.000 1.095 242 L CA 0.513 55.230 54.840 -0.206 0.000 0.770 242 L CB -0.274 41.556 42.059 -0.383 0.000 0.914 242 L HN 0.255 nan 8.230 nan 0.000 0.439 246 N N 1.859 120.492 118.700 -0.111 0.000 2.188 246 N HA 0.031 4.771 4.740 -0.000 0.000 0.184 246 N C 1.921 177.373 175.510 -0.096 0.000 1.018 246 N CA 1.245 54.263 53.050 -0.053 0.000 0.858 246 N CB -0.069 38.433 38.487 0.026 0.000 0.989 246 N HN 0.311 nan 8.380 nan 0.000 0.426 247 I N -0.138 120.352 120.570 -0.134 0.000 2.361 247 I HA -0.134 4.036 4.170 -0.000 0.000 0.251 247 I C 1.264 177.273 176.117 -0.180 0.000 1.133 247 I CA 1.133 62.332 61.300 -0.169 0.000 1.413 247 I CB -0.218 37.648 38.000 -0.223 0.000 1.073 247 I HN 0.257 nan 8.210 nan 0.000 0.424 248 G N -0.079 108.623 108.800 -0.163 0.000 2.135 248 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.183 248 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.183 248 G C 0.611 175.472 174.900 -0.065 0.000 1.004 248 G CA 0.165 45.190 45.100 -0.126 0.000 0.677 248 G HN 0.144 nan 8.290 nan 0.000 0.512 249 V N -0.400 119.439 119.914 -0.124 0.000 2.871 249 V HA 0.177 4.297 4.120 -0.000 0.000 0.256 249 V C 1.765 177.549 176.094 -0.516 0.000 1.082 249 V CA 1.326 63.556 62.300 -0.116 0.000 1.105 249 V CB -0.738 31.013 31.823 -0.121 0.000 0.713 249 V HN 1.453 nan 8.190 nan 0.000 0.473 250 C N -1.089 117.864 119.300 -0.578 0.000 3.332 250 C HA 0.811 5.271 4.460 -0.000 0.000 0.329 250 C C -1.021 173.798 174.990 -0.286 0.000 1.434 250 C CA -0.665 57.934 59.018 -0.699 0.000 1.314 250 C CB 1.504 28.466 27.740 -1.298 0.000 1.664 250 C HN 0.439 nan 8.230 nan 0.000 0.457 251 D N -0.692 119.715 120.400 0.011 0.000 2.650 251 D HA 0.483 5.122 4.640 -0.000 0.000 0.255 251 D C 0.319 176.529 176.300 -0.151 0.000 1.135 251 D CA -0.898 53.013 54.000 -0.149 0.000 1.099 251 D CB 0.110 40.858 40.800 -0.087 0.000 1.273 251 D HN 0.354 nan 8.370 nan 0.000 0.628 252 F N 0.015 119.909 119.950 -0.094 0.000 2.250 252 F HA -0.097 4.430 4.527 -0.000 0.000 0.301 252 F C 2.646 178.360 175.800 -0.144 0.000 1.077 252 F CA 1.547 59.480 58.000 -0.112 0.000 1.348 252 F CB -0.656 38.289 39.000 -0.091 0.000 1.040 252 F HN 0.411 nan 8.300 nan 0.000 0.509 253 S N -1.129 114.524 115.700 -0.079 0.000 2.447 253 S HA -0.187 4.283 4.470 -0.000 0.000 0.233 253 S C 1.365 175.805 174.600 -0.266 0.000 1.006 253 S CA 1.193 59.266 58.200 -0.211 0.000 0.957 253 S CB -0.939 62.065 63.200 -0.327 0.000 0.773 253 S HN 0.549 nan 8.310 nan 0.000 0.507 254 H N 0.356 119.415 119.070 -0.019 0.000 2.553 254 H HA 0.432 4.988 4.556 -0.000 0.000 0.265 254 H C 0.130 175.531 175.328 0.122 0.000 0.964 254 H CA -0.048 56.014 56.048 0.023 0.000 1.156 254 H CB -0.022 29.674 29.762 -0.110 0.000 1.411 254 H HN 0.381 nan 8.280 nan 0.000 0.558 255 I N 2.054 122.716 120.570 0.154 0.000 2.436 255 I HA 0.195 4.365 4.170 -0.000 0.000 0.289 255 I C 0.524 176.688 176.117 0.079 0.000 1.083 255 I CA -0.475 60.911 61.300 0.144 0.000 1.372 255 I CB 0.513 38.567 38.000 0.091 0.000 1.408 255 I HN 0.222 nan 8.210 nan 0.000 0.516 259 V N 0.147 119.946 119.914 -0.192 0.000 2.347 259 V HA 0.763 4.882 4.120 -0.000 0.000 0.280 259 V C 0.067 175.991 176.094 -0.284 0.000 1.021 259 V CA -0.819 61.339 62.300 -0.237 0.000 0.847 259 V CB 0.729 32.479 31.823 -0.123 0.000 0.990 259 V HN 0.816 nan 8.190 nan 0.000 0.444 260 V N 4.604 124.217 119.914 -0.502 0.000 2.508 260 V HA 0.439 4.559 4.120 -0.000 0.000 0.281 260 V C 0.702 176.574 176.094 -0.370 0.000 1.041 260 V CA 0.722 62.691 62.300 -0.552 0.000 1.016 260 V CB 1.007 32.196 31.823 -1.056 0.000 0.984 260 V HN 1.110 nan 8.190 nan 0.000 0.478 261 T N 3.500 117.930 114.554 -0.206 0.000 2.903 261 T HA 0.523 4.873 4.350 -0.000 0.000 0.299 261 T C -0.465 174.203 174.700 -0.053 0.000 1.093 261 T CA -0.319 61.721 62.100 -0.101 0.000 1.002 261 T CB 1.797 70.624 68.868 -0.069 0.000 1.127 261 T HN 0.697 nan 8.240 nan 0.000 0.488 262 T N 2.609 117.157 114.554 -0.010 0.000 2.824 262 T HA 0.491 4.840 4.350 -0.000 0.000 0.280 262 T C -0.162 174.568 174.700 0.049 0.000 0.995 262 T CA -0.487 61.627 62.100 0.023 0.000 1.009 262 T CB 1.320 70.205 68.868 0.027 0.000 0.955 262 T HN 0.508 nan 8.240 nan 0.000 0.452 263 V N 4.983 124.953 119.914 0.095 0.000 2.479 263 V HA 0.122 4.242 4.120 -0.000 0.000 0.281 263 V C 1.338 177.474 176.094 0.069 0.000 1.031 263 V CA 0.288 62.655 62.300 0.113 0.000 1.038 263 V CB -0.191 31.754 31.823 0.204 0.000 0.981 263 V HN 0.886 nan 8.190 nan 0.000 0.478 264 I N 1.850 122.447 120.570 0.045 0.000 4.139 264 I HA 0.706 4.876 4.170 -0.000 0.000 0.335 264 I C 0.729 176.835 176.117 -0.018 0.000 1.327 264 I CA 0.161 61.465 61.300 0.008 0.000 1.112 264 I CB 0.634 38.637 38.000 0.005 0.000 1.058 264 I HN 0.617 nan 8.210 nan 0.000 0.396 265 G N -0.006 108.801 108.800 0.011 0.000 2.559 265 G HA2 0.536 4.496 3.960 -0.000 0.000 0.291 265 G HA3 0.536 4.496 3.960 -0.000 0.000 0.291 265 G C -2.015 172.989 174.900 0.173 0.000 1.424 265 G CA -0.613 44.488 45.100 0.000 0.000 0.786 265 G HN 0.318 nan 8.290 nan 0.000 0.485 266 H N -0.055 119.053 119.070 0.063 0.000 2.768 266 H HA 0.474 5.030 4.556 -0.000 0.000 0.371 266 H C -0.902 174.469 175.328 0.073 0.000 1.151 266 H CA -0.947 55.148 56.048 0.078 0.000 1.165 266 H CB 2.717 32.512 29.762 0.055 0.000 1.722 266 H HN 0.362 nan 8.280 nan 0.000 0.543 267 N N 2.327 121.148 118.700 0.201 0.000 2.518 267 N HA 0.042 4.782 4.740 -0.000 0.000 0.254 267 N C 0.396 175.870 175.510 -0.060 0.000 0.979 267 N CA -0.258 52.797 53.050 0.007 0.000 0.930 267 N CB 1.666 40.035 38.487 -0.195 0.000 1.152 267 N HN 0.672 nan 8.380 nan 0.000 0.505 268 K N 2.691 123.068 120.400 -0.038 0.000 2.057 268 K HA -0.117 4.203 4.320 -0.000 0.000 0.206 268 K C 1.402 177.947 176.600 -0.093 0.000 1.050 268 K CA 1.220 57.480 56.287 -0.044 0.000 0.935 268 K CB 0.167 32.660 32.500 -0.011 0.000 0.715 268 K HN 0.610 nan 8.250 nan 0.000 0.439 269 E N 0.554 120.673 120.200 -0.135 0.000 2.051 269 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 269 E C 1.124 177.607 176.600 -0.195 0.000 0.991 269 E CA 1.428 57.738 56.400 -0.150 0.000 0.799 269 E CB 0.226 29.827 29.700 -0.165 0.000 0.748 269 E HN 0.200 nan 8.360 nan 0.000 0.449 270 K N -0.104 120.089 120.400 -0.345 0.000 2.374 270 K HA 0.107 4.427 4.320 -0.000 0.000 0.196 270 K C -0.389 176.083 176.600 -0.213 0.000 1.023 270 K CA 0.218 56.248 56.287 -0.428 0.000 1.103 270 K CB 0.200 32.067 32.500 -1.055 0.000 0.848 270 K HN 0.139 nan 8.250 nan 0.000 0.528 271 N N 0.910 119.541 118.700 -0.114 0.000 2.667 271 N HA -0.172 4.567 4.740 -0.000 0.000 0.263 271 N C -1.456 174.178 175.510 0.207 0.000 1.038 271 N CA 0.397 53.461 53.050 0.022 0.000 0.749 271 N CB -0.485 38.023 38.487 0.035 0.000 0.892 271 N HN 0.223 nan 8.380 nan 0.000 0.546 272 W N 0.942 122.211 121.300 -0.051 0.000 2.606 272 W HA 0.590 5.250 4.660 -0.000 0.000 0.332 272 W C 0.176 176.657 176.519 -0.063 0.000 1.052 272 W CA -0.799 56.516 57.345 -0.050 0.000 1.223 272 W CB 0.562 30.020 29.460 -0.004 0.000 1.383 272 W HN 0.001 nan 8.180 nan 0.000 0.524 273 L N 3.864 125.153 121.223 0.111 0.000 2.307 273 L HA 0.482 4.822 4.340 -0.000 0.000 0.282 273 L C -0.456 176.472 176.870 0.096 0.000 1.051 273 L CA -1.077 53.812 54.840 0.081 0.000 0.804 273 L CB 0.692 42.700 42.059 -0.086 0.000 1.197 273 L HN 0.046 nan 8.230 nan 0.000 0.431 274 L N 2.490 123.798 121.223 0.142 0.000 2.322 274 L HA 0.573 4.913 4.340 -0.000 0.000 0.281 274 L C 0.441 177.358 176.870 0.079 0.000 1.014 274 L CA -0.044 54.859 54.840 0.105 0.000 0.815 274 L CB 1.913 44.027 42.059 0.091 0.000 1.247 274 L HN 0.681 nan 8.230 nan 0.000 0.421 275 T N -3.058 111.536 114.554 0.066 0.000 2.940 275 T HA 0.417 4.767 4.350 -0.000 0.000 0.288 275 T C 0.198 174.930 174.700 0.053 0.000 1.045 275 T CA -0.670 61.456 62.100 0.044 0.000 1.018 275 T CB 1.465 70.340 68.868 0.012 0.000 1.151 275 T HN 0.578 nan 8.240 nan 0.000 0.529 276 D N -0.148 120.269 120.400 0.028 0.000 2.352 276 D HA 0.086 4.725 4.640 -0.000 0.000 0.236 276 D C 0.479 176.772 176.300 -0.011 0.000 1.148 276 D CA -0.478 53.533 54.000 0.018 0.000 0.844 276 D CB -0.649 40.160 40.800 0.015 0.000 0.933 276 D HN 0.503 nan 8.370 nan 0.000 0.507 277 S N -0.666 115.022 115.700 -0.021 0.000 2.665 277 S HA 0.635 5.105 4.470 -0.000 0.000 0.230 277 S C 0.613 175.162 174.600 -0.086 0.000 1.326 277 S CA -0.727 57.448 58.200 -0.041 0.000 1.055 277 S CB 0.738 63.921 63.200 -0.028 0.000 1.178 277 S HN 0.242 nan 8.310 nan 0.000 0.489 278 G N 2.220 110.925 108.800 -0.159 0.000 2.525 278 G HA2 0.494 4.454 3.960 -0.000 0.000 0.287 278 G HA3 0.494 4.454 3.960 -0.000 0.000 0.287 278 G C 0.439 175.209 174.900 -0.217 0.000 1.350 278 G CA -1.409 43.519 45.100 -0.287 0.000 1.039 278 G HN 0.792 nan 8.290 nan 0.000 0.513 282 L N 1.095 122.380 121.223 0.103 0.000 2.463 282 L HA 0.291 4.631 4.340 -0.000 0.000 0.219 282 L C 1.102 178.046 176.870 0.123 0.000 1.088 282 L CA 0.993 55.903 54.840 0.115 0.000 0.849 282 L CB 0.381 42.491 42.059 0.084 0.000 1.012 282 L HN 0.966 nan 8.230 nan 0.000 0.468 283 S N -0.293 115.488 115.700 0.135 0.000 3.832 283 S HA -0.185 4.285 4.470 -0.000 0.000 0.719 283 S C 0.550 175.190 174.600 0.066 0.000 1.382 283 S CA -0.072 58.201 58.200 0.122 0.000 1.406 283 S CB -0.301 62.953 63.200 0.090 0.000 0.425 283 S HN 0.272 nan 8.310 nan 0.000 0.834 284 R N 0.988 121.487 120.500 -0.002 0.000 2.310 284 R HA 0.167 4.507 4.340 -0.000 0.000 0.202 284 R C 0.524 176.929 176.300 0.174 0.000 0.933 284 R CA 0.492 56.564 56.100 -0.047 0.000 1.054 284 R CB -0.992 29.197 30.300 -0.185 0.000 0.985 284 R HN 0.752 nan 8.270 nan 0.000 0.489 285 D N 1.545 122.055 120.400 0.182 0.000 2.487 285 D HA -0.051 4.589 4.640 -0.000 0.000 0.243 285 D C -0.038 176.422 176.300 0.267 0.000 1.154 285 D CA 0.553 54.681 54.000 0.213 0.000 0.876 285 D CB 0.779 41.719 40.800 0.233 0.000 1.161 285 D HN 0.080 nan 8.370 nan 0.000 0.478 286 S N 1.778 117.585 115.700 0.178 0.000 2.592 286 S HA 0.293 4.763 4.470 -0.000 0.000 0.243 286 S C 1.423 176.051 174.600 0.045 0.000 1.160 286 S CA -0.298 57.946 58.200 0.072 0.000 1.145 286 S CB 0.853 64.047 63.200 -0.009 0.000 0.909 286 S HN 0.443 nan 8.310 nan 0.000 0.487 287 G N 2.617 111.465 108.800 0.080 0.000 2.475 287 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.220 287 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.220 287 G C 1.472 176.397 174.900 0.041 0.000 1.125 287 G CA 1.535 46.664 45.100 0.049 0.000 0.755 287 G HN 0.758 nan 8.290 nan 0.000 0.565 288 T N -1.632 112.961 114.554 0.066 0.000 3.055 288 T HA 0.369 4.719 4.350 -0.000 0.000 0.265 288 T C 2.429 177.141 174.700 0.021 0.000 1.111 288 T CA 1.275 63.428 62.100 0.088 0.000 1.118 288 T CB -0.045 68.972 68.868 0.248 0.000 0.909 288 T HN 0.307 nan 8.240 nan 0.000 0.501 289 A N 1.611 124.422 122.820 -0.016 0.000 2.019 289 A HA 0.326 4.646 4.320 -0.000 0.000 0.219 289 A C 2.254 179.816 177.584 -0.036 0.000 1.164 289 A CA 1.074 53.082 52.037 -0.049 0.000 0.644 289 A CB -1.076 17.884 19.000 -0.068 0.000 0.805 289 A HN 0.630 nan 8.150 nan 0.000 0.449 290 G N -0.830 107.958 108.800 -0.020 0.000 3.678 290 G HA2 0.457 4.417 3.960 -0.000 0.000 0.287 290 G HA3 0.457 4.417 3.960 -0.000 0.000 0.287 290 G C 0.179 175.071 174.900 -0.015 0.000 1.280 290 G CA -0.261 44.828 45.100 -0.019 0.000 1.118 290 G HN 0.543 nan 8.290 nan 0.000 0.563 291 Q N -1.090 118.699 119.800 -0.017 0.000 2.892 291 Q HA 0.279 4.619 4.340 -0.000 0.000 0.307 291 Q C 0.190 176.167 176.000 -0.037 0.000 1.039 291 Q CA -1.052 54.740 55.803 -0.019 0.000 0.792 291 Q CB 0.915 29.654 28.738 0.002 0.000 1.504 291 Q HN -0.003 nan 8.270 nan 0.000 0.487 292 N N 0.215 118.890 118.700 -0.041 0.000 2.463 292 N HA 0.011 4.751 4.740 -0.000 0.000 0.181 292 N C -0.460 174.994 175.510 -0.093 0.000 1.078 292 N CA 0.614 53.630 53.050 -0.057 0.000 0.902 292 N CB 0.382 38.841 38.487 -0.047 0.000 0.970 292 N HN 0.117 nan 8.380 nan 0.000 0.451 293 R N 1.413 121.840 120.500 -0.122 0.000 2.468 293 R HA 0.137 4.477 4.340 -0.000 0.000 0.302 293 R C -1.660 174.424 176.300 -0.361 0.000 1.041 293 R CA -0.519 55.414 56.100 -0.279 0.000 0.899 293 R CB 0.520 30.631 30.300 -0.315 0.000 1.167 293 R HN -0.082 nan 8.270 nan 0.000 0.483 294 D N 3.578 123.784 120.400 -0.323 0.000 2.316 294 D HA 0.073 4.713 4.640 -0.000 0.000 0.245 294 D C 0.048 176.146 176.300 -0.337 0.000 1.171 294 D CA -0.220 53.645 54.000 -0.225 0.000 0.856 294 D CB 0.361 41.067 40.800 -0.157 0.000 1.090 294 D HN 0.398 nan 8.370 nan 0.000 0.476 295 F N 2.458 122.383 119.950 -0.041 0.000 2.660 295 F HA 0.275 4.802 4.527 -0.000 0.000 0.302 295 F C 1.941 177.694 175.800 -0.079 0.000 1.103 295 F CA 0.298 58.282 58.000 -0.027 0.000 1.340 295 F CB 0.085 39.098 39.000 0.022 0.000 1.048 295 F HN 0.632 nan 8.300 nan 0.000 0.551 296 G N 0.603 109.377 108.800 -0.044 0.000 2.583 296 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.292 296 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.292 296 G C 0.297 175.009 174.900 -0.315 0.000 1.203 296 G CA 0.506 45.472 45.100 -0.224 0.000 0.987 296 G HN 0.257 nan 8.290 nan 0.000 0.554 297 Y N 2.934 123.267 120.300 0.055 0.000 2.532 297 Y HA 0.497 5.046 4.550 -0.000 0.000 0.283 297 Y C 1.495 177.426 175.900 0.052 0.000 1.181 297 Y CA 0.666 58.799 58.100 0.055 0.000 1.256 297 Y CB 0.289 38.771 38.460 0.037 0.000 1.112 297 Y HN 1.536 nan 8.280 nan 0.000 0.521 298 G N 0.040 108.933 108.800 0.154 0.000 2.312 298 G HA2 0.133 4.093 3.960 -0.000 0.000 0.347 298 G HA3 0.133 4.093 3.960 -0.000 0.000 0.347 298 G C -1.813 173.142 174.900 0.092 0.000 1.564 298 G CA -1.328 43.834 45.100 0.103 0.000 0.981 298 G HN -0.057 nan 8.290 nan 0.000 0.678 299 Q N 0.246 120.068 119.800 0.036 0.000 2.296 299 Q HA 0.550 4.890 4.340 -0.000 0.000 0.262 299 Q C 0.149 176.122 176.000 -0.044 0.000 0.981 299 Q CA -0.325 55.501 55.803 0.037 0.000 0.905 299 Q CB 1.389 30.080 28.738 -0.078 0.000 1.186 299 Q HN 0.762 nan 8.270 nan 0.000 0.399 300 V N 4.785 124.669 119.914 -0.050 0.000 2.583 300 V HA 0.350 4.470 4.120 -0.000 0.000 0.287 300 V C -0.109 175.927 176.094 -0.097 0.000 1.051 300 V CA -0.510 61.740 62.300 -0.084 0.000 1.010 300 V CB 0.782 32.532 31.823 -0.120 0.000 0.988 300 V HN 0.941 nan 8.190 nan 0.000 0.478 301 C N 4.121 123.370 119.300 -0.084 0.000 2.889 301 C HA 0.507 4.967 4.460 -0.000 0.000 0.307 301 C C 0.318 175.288 174.990 -0.033 0.000 1.251 301 C CA -1.484 57.486 59.018 -0.080 0.000 1.593 301 C CB 1.906 29.580 27.740 -0.111 0.000 2.104 301 C HN 0.866 nan 8.230 nan 0.000 0.476 302 K N 0.890 121.281 120.400 -0.015 0.000 2.187 302 K HA 0.193 4.512 4.320 -0.000 0.000 0.247 302 K C 1.007 177.565 176.600 -0.070 0.000 1.019 302 K CA -0.481 55.806 56.287 -0.001 0.000 0.893 302 K CB 0.345 32.848 32.500 0.004 0.000 1.025 302 K HN 0.443 nan 8.250 nan 0.000 0.500 303 I N 2.221 122.728 120.570 -0.104 0.000 2.335 303 I HA -0.233 3.937 4.170 -0.000 0.000 0.251 303 I C 1.719 177.742 176.117 -0.156 0.000 1.129 303 I CA 1.618 62.824 61.300 -0.156 0.000 1.402 303 I CB -1.123 36.763 38.000 -0.190 0.000 1.069 303 I HN 0.715 nan 8.210 nan 0.000 0.424 304 D N 0.084 120.409 120.400 -0.124 0.000 2.378 304 D HA 0.006 4.646 4.640 -0.000 0.000 0.227 304 D C 1.630 177.866 176.300 -0.107 0.000 1.012 304 D CA 1.019 54.948 54.000 -0.118 0.000 0.905 304 D CB -0.266 40.478 40.800 -0.093 0.000 0.895 304 D HN 0.406 nan 8.370 nan 0.000 0.532 305 G N -0.689 108.047 108.800 -0.106 0.000 2.194 305 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.236 305 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.236 305 G C 0.350 175.193 174.900 -0.096 0.000 0.987 305 G CA 0.157 45.197 45.100 -0.101 0.000 0.635 305 G HN 0.423 nan 8.290 nan 0.000 0.520 306 S N 0.828 116.478 115.700 -0.083 0.000 2.537 306 S HA 0.417 4.887 4.470 -0.000 0.000 0.286 306 S C 0.994 175.531 174.600 -0.106 0.000 1.299 306 S CA 0.119 58.271 58.200 -0.081 0.000 1.067 306 S CB 1.473 64.644 63.200 -0.049 0.000 0.864 306 S HN 1.643 nan 8.310 nan 0.000 0.494 307 V N 3.447 123.259 119.914 -0.170 0.000 2.740 307 V HA 0.313 4.433 4.120 -0.000 0.000 0.303 307 V C -0.145 175.888 176.094 -0.102 0.000 1.054 307 V CA -0.238 61.920 62.300 -0.236 0.000 1.106 307 V CB -0.042 31.479 31.823 -0.503 0.000 0.957 307 V HN 0.691 nan 8.190 nan 0.000 0.486 308 L N 3.972 125.157 121.223 -0.064 0.000 2.272 308 L HA 0.386 4.726 4.340 -0.000 0.000 0.284 308 L C 0.245 177.153 176.870 0.064 0.000 1.045 308 L CA -0.421 54.448 54.840 0.047 0.000 0.842 308 L CB 0.782 42.857 42.059 0.026 0.000 1.224 308 L HN 0.838 nan 8.230 nan 0.000 0.430 309 D N 2.740 123.219 120.400 0.131 0.000 2.533 309 D HA 0.210 4.850 4.640 -0.000 0.000 0.236 309 D C 1.252 177.660 176.300 0.180 0.000 1.137 309 D CA 1.684 55.755 54.000 0.117 0.000 0.867 309 D CB 0.875 41.738 40.800 0.105 0.000 1.170 309 D HN 0.735 nan 8.370 nan 0.000 0.474 310 G N 2.730 111.593 108.800 0.105 0.000 2.176 310 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.253 310 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.253 310 G C 0.190 175.108 174.900 0.030 0.000 0.979 310 G CA 0.307 45.463 45.100 0.093 0.000 0.641 310 G HN 0.520 nan 8.290 nan 0.000 0.530 311 L N 0.997 122.203 121.223 -0.028 0.000 2.296 311 L HA 0.681 5.021 4.340 -0.000 0.000 0.286 311 L C 0.915 177.748 176.870 -0.061 0.000 1.023 311 L CA -0.722 54.040 54.840 -0.130 0.000 0.812 311 L CB 1.529 43.400 42.059 -0.313 0.000 1.223 311 L HN 0.539 nan 8.230 nan 0.000 0.421 312 C N 0.854 120.122 119.300 -0.054 0.000 3.080 312 C HA 0.688 5.148 4.460 -0.000 0.000 0.307 312 C C 0.029 174.995 174.990 -0.040 0.000 1.311 312 C CA -0.892 58.124 59.018 -0.003 0.000 1.533 312 C CB 1.402 29.178 27.740 0.059 0.000 1.970 312 C HN 0.456 nan 8.230 nan 0.000 0.467 313 V N 3.883 123.798 119.914 0.002 0.000 2.370 313 V HA 0.120 4.239 4.120 -0.000 0.000 0.257 313 V C 0.868 176.982 176.094 0.034 0.000 1.064 313 V CA 0.525 62.830 62.300 0.009 0.000 0.975 313 V CB -0.648 31.213 31.823 0.064 0.000 1.067 313 V HN 0.932 nan 8.190 nan 0.000 0.485 314 N N 2.393 121.066 118.700 -0.044 0.000 2.331 314 N HA -0.043 4.697 4.740 -0.000 0.000 0.180 314 N C 0.500 176.022 175.510 0.020 0.000 1.019 314 N CA 0.886 53.901 53.050 -0.059 0.000 0.881 314 N CB 0.166 38.578 38.487 -0.124 0.000 0.972 314 N HN 0.771 nan 8.380 nan 0.000 0.435 315 S N -1.645 114.088 115.700 0.056 0.000 2.565 315 S HA 0.620 5.090 4.470 -0.000 0.000 0.269 315 S C -0.833 173.782 174.600 0.025 0.000 1.153 315 S CA -0.996 57.285 58.200 0.136 0.000 0.835 315 S CB 1.835 65.027 63.200 -0.013 0.000 1.122 315 S HN 0.120 nan 8.310 nan 0.000 0.462 316 T N -1.016 113.513 114.554 -0.042 0.000 2.903 316 T HA 0.858 5.208 4.350 -0.000 0.000 0.299 316 T C 0.052 174.642 174.700 -0.183 0.000 1.093 316 T CA -0.264 61.714 62.100 -0.203 0.000 1.002 316 T CB 1.380 70.101 68.868 -0.245 0.000 1.127 316 T HN 1.374 nan 8.240 nan 0.000 0.488 317 S N 1.112 116.543 115.700 -0.448 0.000 2.753 317 S HA 0.373 4.843 4.470 -0.000 0.000 0.302 317 S C 1.301 175.525 174.600 -0.626 0.000 1.104 317 S CA -0.688 57.323 58.200 -0.314 0.000 0.968 317 S CB 1.091 64.066 63.200 -0.375 0.000 1.278 317 S HN 0.892 nan 8.310 nan 0.000 0.549 318 Q N 0.005 119.394 119.800 -0.684 0.000 2.050 318 Q HA -0.087 4.253 4.340 -0.000 0.000 0.202 318 Q C 0.680 176.125 176.000 -0.926 0.000 0.980 318 Q CA 1.652 56.635 55.803 -1.366 0.000 0.840 318 Q CB -0.004 28.266 28.738 -0.781 0.000 0.898 318 Q HN 0.683 nan 8.270 nan 0.000 0.424 319 E N -0.510 119.414 120.200 -0.459 0.000 2.660 319 E HA 0.110 4.460 4.350 -0.000 0.000 0.216 319 E C -0.853 175.697 176.600 -0.085 0.000 0.986 319 E CA 0.021 56.269 56.400 -0.252 0.000 1.037 319 E CB 1.002 30.610 29.700 -0.154 0.000 1.041 319 E HN 0.528 nan 8.360 nan 0.000 0.480 320 H N -2.882 116.079 119.070 -0.182 0.000 2.980 320 H HA 0.745 5.301 4.556 -0.000 0.000 0.367 320 H C -0.179 175.084 175.328 -0.108 0.000 1.206 320 H CA -0.997 54.984 56.048 -0.111 0.000 1.126 320 H CB 1.495 31.216 29.762 -0.068 0.000 1.838 320 H HN -0.031 nan 8.280 nan 0.000 0.552 321 G N 0.212 108.992 108.800 -0.033 0.000 2.498 321 G HA2 0.542 4.501 3.960 -0.000 0.000 0.312 321 G HA3 0.542 4.501 3.960 -0.000 0.000 0.312 321 G C -1.496 173.407 174.900 0.006 0.000 1.230 321 G CA -1.004 44.049 45.100 -0.078 0.000 0.968 321 G HN 0.572 nan 8.290 nan 0.000 0.481 322 V N 1.210 121.065 119.914 -0.099 0.000 2.487 322 V HA 0.445 4.565 4.120 -0.000 0.000 0.298 322 V C -0.390 175.558 176.094 -0.243 0.000 1.028 322 V CA -0.523 61.645 62.300 -0.220 0.000 0.860 322 V CB 1.513 33.029 31.823 -0.513 0.000 0.991 322 V HN 0.601 nan 8.190 nan 0.000 0.427 323 I N 3.814 124.252 120.570 -0.219 0.000 2.354 323 I HA 0.355 4.525 4.170 -0.000 0.000 0.286 323 I C 0.288 176.279 176.117 -0.209 0.000 1.007 323 I CA -0.367 60.808 61.300 -0.208 0.000 1.167 323 I CB 1.438 39.307 38.000 -0.218 0.000 1.320 323 I HN 0.626 nan 8.210 nan 0.000 0.458 324 E N 6.963 127.049 120.200 -0.191 0.000 2.265 324 E HA 0.246 4.596 4.350 -0.000 0.000 0.272 324 E C -0.661 175.917 176.600 -0.036 0.000 1.067 324 E CA -0.266 56.109 56.400 -0.040 0.000 0.900 324 E CB 0.850 30.544 29.700 -0.010 0.000 1.017 324 E HN 0.459 nan 8.360 nan 0.000 0.431 325 L N 2.870 124.093 121.223 -0.001 0.000 2.397 325 L HA 0.083 4.423 4.340 -0.000 0.000 0.271 325 L C 1.017 177.936 176.870 0.082 0.000 1.148 325 L CA -0.262 54.559 54.840 -0.031 0.000 0.825 325 L CB 0.723 42.774 42.059 -0.015 0.000 1.117 325 L HN 0.578 nan 8.230 nan 0.000 0.456 326 S N -0.051 115.744 115.700 0.158 0.000 2.655 326 S HA 0.067 4.537 4.470 -0.000 0.000 0.265 326 S C 0.606 175.307 174.600 0.169 0.000 1.240 326 S CA -0.394 57.905 58.200 0.166 0.000 0.986 326 S CB 1.012 64.324 63.200 0.186 0.000 0.985 326 S HN 0.724 nan 8.310 nan 0.000 0.562 327 D N -0.390 120.065 120.400 0.092 0.000 2.363 327 D HA 0.099 4.739 4.640 -0.000 0.000 0.226 327 D C 1.443 177.754 176.300 0.019 0.000 1.020 327 D CA 0.678 54.712 54.000 0.057 0.000 0.892 327 D CB -0.556 40.261 40.800 0.028 0.000 0.900 327 D HN 0.578 nan 8.370 nan 0.000 0.531 328 A N -0.860 121.953 122.820 -0.011 0.000 2.167 328 A HA 0.082 4.402 4.320 -0.000 0.000 0.214 328 A C 0.025 177.415 177.584 -0.323 0.000 1.151 328 A CA 0.283 52.199 52.037 -0.201 0.000 0.735 328 A CB -0.350 18.454 19.000 -0.327 0.000 0.802 328 A HN 0.237 nan 8.150 nan 0.000 0.467 329 Y N -0.732 119.601 120.300 0.055 0.000 2.509 329 Y HA 0.533 5.083 4.550 -0.000 0.000 0.341 329 Y C 0.305 176.257 175.900 0.085 0.000 1.038 329 Y CA -0.797 57.368 58.100 0.109 0.000 1.089 329 Y CB 1.325 39.884 38.460 0.164 0.000 1.241 329 Y HN 0.150 nan 8.280 nan 0.000 0.468 330 Q N 1.807 121.771 119.800 0.273 0.000 2.337 330 Q HA 0.356 4.696 4.340 -0.000 0.000 0.266 330 Q C 0.467 176.572 176.000 0.175 0.000 1.023 330 Q CA -0.584 55.307 55.803 0.147 0.000 0.829 330 Q CB 2.429 31.204 28.738 0.062 0.000 1.306 330 Q HN 0.776 nan 8.270 nan 0.000 0.449 331 L N 1.497 122.747 121.223 0.046 0.000 2.081 331 L HA -0.271 4.069 4.340 -0.000 0.000 0.212 331 L C 2.226 179.084 176.870 -0.020 0.000 1.080 331 L CA 1.841 56.612 54.840 -0.114 0.000 0.754 331 L CB -0.320 41.532 42.059 -0.346 0.000 0.893 331 L HN 0.773 nan 8.230 nan 0.000 0.433 332 E N -0.827 119.388 120.200 0.025 0.000 2.409 332 E HA -0.198 4.152 4.350 -0.000 0.000 0.198 332 E C 0.801 177.379 176.600 -0.037 0.000 1.024 332 E CA 0.973 57.401 56.400 0.046 0.000 0.861 332 E CB -0.158 29.561 29.700 0.032 0.000 0.788 332 E HN 0.467 nan 8.360 nan 0.000 0.521 333 D N 0.117 120.440 120.400 -0.129 0.000 2.355 333 D HA 0.014 4.654 4.640 -0.000 0.000 0.218 333 D C -0.416 175.373 176.300 -0.853 0.000 1.004 333 D CA 0.495 54.239 54.000 -0.427 0.000 0.880 333 D CB 0.104 40.598 40.800 -0.511 0.000 0.911 333 D HN 0.259 nan 8.370 nan 0.000 0.528 334 F N 1.115 120.915 119.950 -0.251 0.000 2.564 334 F HA 0.266 4.793 4.527 -0.000 0.000 0.329 334 F C -2.187 173.637 175.800 0.040 0.000 1.458 334 F CA -2.092 55.690 58.000 -0.363 0.000 1.117 334 F CB 1.090 39.959 39.000 -0.218 0.000 1.383 334 F HN -0.263 nan 8.300 nan 0.000 0.571 335 P HA -0.004 nan 4.420 nan 0.000 0.270 335 P C 0.250 177.644 177.300 0.157 0.000 1.223 335 P CA 0.096 63.316 63.100 0.201 0.000 0.785 335 P CB 1.372 33.136 31.700 0.105 0.000 0.923 336 V N 1.817 121.714 119.914 -0.029 0.000 2.584 336 V HA 0.176 4.296 4.120 -0.000 0.000 0.303 336 V C 1.853 177.974 176.094 0.045 0.000 1.035 336 V CA 2.202 64.484 62.300 -0.030 0.000 1.172 336 V CB -0.678 31.073 31.823 -0.121 0.000 0.896 336 V HN 1.106 nan 8.190 nan 0.000 0.486 337 G N 3.370 112.214 108.800 0.073 0.000 2.232 337 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.226 337 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.226 337 G C 0.143 175.107 174.900 0.108 0.000 0.996 337 G CA 0.269 45.413 45.100 0.073 0.000 0.626 337 G HN 1.024 nan 8.290 nan 0.000 0.509 338 H N 1.773 120.878 119.070 0.058 0.000 2.790 338 H HA 0.595 5.150 4.556 -0.000 0.000 0.358 338 H C 0.624 175.988 175.328 0.061 0.000 1.103 338 H CA 0.948 57.036 56.048 0.068 0.000 1.426 338 H CB 0.444 30.281 29.762 0.125 0.000 1.424 338 H HN 0.446 nan 8.280 nan 0.000 0.599 339 Q N 3.465 123.091 119.800 -0.290 0.000 2.348 339 Q HA 0.561 4.901 4.340 -0.000 0.000 0.271 339 Q C -0.964 174.945 176.000 -0.151 0.000 1.067 339 Q CA -0.914 54.794 55.803 -0.159 0.000 0.839 339 Q CB 2.619 31.264 28.738 -0.156 0.000 1.354 339 Q HN 0.510 nan 8.270 nan 0.000 0.447 340 L N 0.424 121.607 121.223 -0.067 0.000 2.341 340 L HA 0.652 4.991 4.340 -0.000 0.000 0.254 340 L C -0.790 176.015 176.870 -0.109 0.000 1.040 340 L CA -0.980 53.837 54.840 -0.039 0.000 0.837 340 L CB 2.422 44.495 42.059 0.024 0.000 1.425 340 L HN 0.411 nan 8.230 nan 0.000 0.414 341 R N 0.986 121.422 120.500 -0.108 0.000 2.599 341 R HA 0.703 5.043 4.340 -0.000 0.000 0.295 341 R C -1.055 175.179 176.300 -0.110 0.000 0.963 341 R CA -0.695 55.321 56.100 -0.140 0.000 0.883 341 R CB 2.081 32.289 30.300 -0.153 0.000 1.171 341 R HN 0.305 nan 8.270 nan 0.000 0.450 345 N N 0.086 118.843 118.700 0.096 0.000 2.084 345 N HA -0.105 4.635 4.740 -0.000 0.000 0.190 345 N C 0.337 175.947 175.510 0.166 0.000 1.030 345 N CA 1.389 54.508 53.050 0.114 0.000 0.849 345 N CB -0.131 38.450 38.487 0.156 0.000 1.012 345 N HN 0.615 nan 8.380 nan 0.000 0.423 346 H N -0.715 118.398 119.070 0.070 0.000 3.078 346 H HA 0.452 5.008 4.556 -0.000 0.000 0.319 346 H C 0.399 175.763 175.328 0.060 0.000 0.995 346 H CA -0.447 55.649 56.048 0.081 0.000 1.417 346 H CB 1.265 31.087 29.762 0.100 0.000 1.598 346 H HN 0.055 nan 8.280 nan 0.000 0.515 347 A N 3.304 126.258 122.820 0.223 0.000 1.908 347 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 347 A C 2.196 179.745 177.584 -0.058 0.000 1.181 347 A CA 1.686 53.754 52.037 0.052 0.000 0.627 347 A CB -0.909 18.120 19.000 0.049 0.000 0.818 347 A HN 0.826 nan 8.150 nan 0.000 0.445 348 C N -0.880 118.338 119.300 -0.137 0.000 2.413 348 C HA 0.045 4.505 4.460 -0.000 0.000 0.277 348 C C 3.233 178.045 174.990 -0.297 0.000 1.265 348 C CA 0.746 59.616 59.018 -0.247 0.000 1.752 348 C CB -1.531 26.021 27.740 -0.313 0.000 1.998 348 C HN 0.705 nan 8.230 nan 0.000 0.489 349 A N 0.313 122.847 122.820 -0.477 0.000 1.898 349 A HA -0.087 4.232 4.320 -0.000 0.000 0.214 349 A C 2.218 179.774 177.584 -0.047 0.000 1.183 349 A CA 2.165 54.064 52.037 -0.230 0.000 0.622 349 A CB -0.975 17.918 19.000 -0.177 0.000 0.824 349 A HN 0.531 nan 8.150 nan 0.000 0.444 350 T N 0.252 114.796 114.554 -0.016 0.000 2.812 350 T HA 0.053 4.403 4.350 -0.000 0.000 0.264 350 T C 2.199 176.965 174.700 0.110 0.000 1.042 350 T CA 1.317 63.455 62.100 0.064 0.000 1.140 350 T CB -0.352 68.544 68.868 0.046 0.000 0.870 350 T HN 0.544 nan 8.240 nan 0.000 0.445 351 A N 1.577 124.404 122.820 0.012 0.000 1.972 351 A HA 0.371 4.691 4.320 -0.000 0.000 0.219 351 A C 1.640 179.331 177.584 0.179 0.000 1.169 351 A CA 1.089 53.132 52.037 0.011 0.000 0.635 351 A CB -0.919 18.032 19.000 -0.083 0.000 0.810 351 A HN 0.565 nan 8.150 nan 0.000 0.446 355 P HA -0.056 nan 4.420 nan 0.000 0.221 355 P C 0.256 177.567 177.300 0.018 0.000 1.150 355 P CA 0.701 63.842 63.100 0.068 0.000 0.800 355 P CB 0.739 32.459 31.700 0.033 0.000 0.787 356 V N -0.882 119.099 119.914 0.112 0.000 2.789 356 V HA 0.319 4.439 4.120 -0.000 0.000 0.311 356 V C -0.985 175.256 176.094 0.245 0.000 1.073 356 V CA -0.894 61.419 62.300 0.022 0.000 0.921 356 V CB 1.882 33.698 31.823 -0.012 0.000 1.009 356 V HN -0.156 nan 8.190 nan 0.000 0.426 357 Y N 1.982 122.297 120.300 0.024 0.000 2.409 357 Y HA 0.586 5.136 4.550 -0.000 0.000 0.339 357 Y C 0.462 176.248 175.900 -0.191 0.000 1.033 357 Y CA -1.473 56.622 58.100 -0.009 0.000 1.094 357 Y CB 0.945 39.386 38.460 -0.031 0.000 1.210 357 Y HN 0.576 nan 8.280 nan 0.000 0.456 358 H N 1.501 120.660 119.070 0.148 0.000 2.487 358 H HA 0.570 5.126 4.556 -0.000 0.000 0.333 358 H C -0.930 174.395 175.328 -0.005 0.000 1.114 358 H CA -0.492 55.609 56.048 0.089 0.000 1.310 358 H CB 2.039 31.910 29.762 0.182 0.000 1.462 358 H HN 0.336 nan 8.280 nan 0.000 0.516 359 V N 4.842 124.769 119.914 0.022 0.000 2.483 359 V HA 0.071 4.191 4.120 -0.000 0.000 0.297 359 V C 0.009 176.210 176.094 0.178 0.000 1.027 359 V CA -0.698 61.523 62.300 -0.132 0.000 0.855 359 V CB 1.701 33.166 31.823 -0.597 0.000 0.995 359 V HN 0.413 nan 8.190 nan 0.000 0.424 363 D N 1.994 122.463 120.400 0.116 0.000 2.325 363 D HA 0.469 5.109 4.640 -0.000 0.000 0.225 363 D C 1.513 177.885 176.300 0.120 0.000 1.096 363 D CA 0.770 54.832 54.000 0.104 0.000 0.844 363 D CB -0.131 40.727 40.800 0.096 0.000 0.925 363 D HN 1.097 nan 8.370 nan 0.000 0.513 364 G N 0.096 108.987 108.800 0.151 0.000 2.176 364 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.253 364 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.253 364 G C 0.512 175.634 174.900 0.369 0.000 0.979 364 G CA 0.471 45.693 45.100 0.202 0.000 0.641 364 G HN 0.826 nan 8.290 nan 0.000 0.530 365 S N -0.896 114.969 115.700 0.276 0.000 2.655 365 S HA 0.583 5.053 4.470 -0.000 0.000 0.265 365 S C -0.070 174.617 174.600 0.145 0.000 1.240 365 S CA 0.008 58.331 58.200 0.206 0.000 0.986 365 S CB 1.435 64.688 63.200 0.088 0.000 0.985 365 S HN 0.701 nan 8.310 nan 0.000 0.562 366 H N 1.062 119.864 119.070 -0.445 0.000 2.551 366 H HA 0.485 5.041 4.556 -0.000 0.000 0.321 366 H C -1.101 173.946 175.328 -0.468 0.000 1.028 366 H CA -0.871 54.612 56.048 -0.942 0.000 1.215 366 H CB 0.433 29.073 29.762 -1.871 0.000 1.414 366 H HN 0.582 nan 8.280 nan 0.000 0.480 367 N N 2.017 120.596 118.700 -0.202 0.000 2.381 367 N HA 0.281 5.021 4.740 -0.000 0.000 0.294 367 N C -0.993 174.346 175.510 -0.285 0.000 1.216 367 N CA -0.444 52.478 53.050 -0.212 0.000 0.803 367 N CB 2.262 40.746 38.487 -0.004 0.000 1.372 367 N HN 0.688 nan 8.380 nan 0.000 0.500 368 T N -2.633 111.775 114.554 -0.242 0.000 2.893 368 T HA 0.679 5.029 4.350 -0.000 0.000 0.291 368 T C -1.400 173.338 174.700 0.064 0.000 1.028 368 T CA -0.736 61.209 62.100 -0.258 0.000 0.995 368 T CB 1.054 69.692 68.868 -0.382 0.000 1.051 368 T HN 0.250 nan 8.240 nan 0.000 0.470 369 W N 1.254 122.467 121.300 -0.146 0.000 2.785 369 W HA 0.472 5.132 4.660 -0.000 0.000 0.333 369 W C -0.405 175.933 176.519 -0.302 0.000 1.062 369 W CA -1.093 56.150 57.345 -0.171 0.000 1.233 369 W CB 1.496 30.882 29.460 -0.122 0.000 1.413 369 W HN 0.581 nan 8.180 nan 0.000 0.489 370 Q N 2.284 122.058 119.800 -0.042 0.000 2.279 370 Q HA 0.273 4.613 4.340 -0.000 0.000 0.256 370 Q C 0.255 176.114 176.000 -0.236 0.000 0.937 370 Q CA -0.633 55.080 55.803 -0.150 0.000 0.933 370 Q CB 1.843 30.514 28.738 -0.111 0.000 1.189 370 Q HN 0.426 nan 8.270 nan 0.000 0.417 371 R N 2.699 123.016 120.500 -0.305 0.000 2.491 371 R HA 0.238 4.578 4.340 -0.000 0.000 0.283 371 R C -0.282 175.917 176.300 -0.169 0.000 1.072 371 R CA -0.284 55.659 56.100 -0.261 0.000 1.048 371 R CB 0.395 30.587 30.300 -0.181 0.000 0.983 371 R HN 0.545 nan 8.270 nan 0.000 0.450 372 I N 4.747 125.216 120.570 -0.169 0.000 2.363 372 I HA 0.069 4.239 4.170 -0.000 0.000 0.292 372 I C 0.676 176.694 176.117 -0.165 0.000 1.075 372 I CA 0.041 61.230 61.300 -0.184 0.000 1.333 372 I CB 1.064 38.911 38.000 -0.254 0.000 1.415 372 I HN 0.700 nan 8.210 nan 0.000 0.502 373 T N 2.351 116.806 114.554 -0.165 0.000 2.948 373 T HA 0.872 5.222 4.350 -0.000 0.000 0.285 373 T C 0.388 174.931 174.700 -0.263 0.000 1.019 373 T CA -0.062 61.914 62.100 -0.206 0.000 1.013 373 T CB 1.867 70.650 68.868 -0.142 0.000 1.117 373 T HN 1.018 nan 8.240 nan 0.000 0.533 374 G N -0.134 108.395 108.800 -0.451 0.000 2.632 374 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.224 374 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.224 374 G C -0.766 173.791 174.900 -0.571 0.000 1.341 374 G CA -0.239 44.594 45.100 -0.445 0.000 0.880 374 G HN 0.873 nan 8.290 nan 0.000 0.566 375 W N 0.000 121.291 121.300 -0.014 0.000 2.388 375 W HA 0.000 4.660 4.660 0.000 0.000 0.303 375 W CA 0.000 57.333 57.345 -0.020 0.000 1.226 375 W CB 0.000 29.460 29.460 0.001 0.000 1.126 375 W HN 0.000 nan 8.180 nan 0.000 0.535