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 2z97_1_A DATA FIRST_RESID 10 DATA SEQUENCE NLAPLPPHVP EHLVFDFDMY NPSNLSAGVQ EAWAVLQESN VPDLVWTRCN DATA SEQUENCE GGHWIATRGQ LIREAYEDYR HFSSECPFIP REAGEAYDFI PTSMDPPEQR DATA SEQUENCE QFRALANQVV GMPVVDKLEN RIQELACSLI ESLRPQGQCN FTEDYAEPFP DATA SEQUENCE IRIFMLLAGL PEEDIPHLKY LTDQMTRPDG SMTFAEAKEA LYDYLIPIIE DATA SEQUENCE QRRQKPGTDA ISIVANGQVN GRPITSDEAK RMCGLLLVGG LDTVVNFLSF DATA SEQUENCE SMEFLAKSPE HRQELIERPE RIPAACEELL RRFSLVADGR ILTSDYEFHG DATA SEQUENCE VQLKKGDQIL LPQMLSGLDE RENACPMHVD FSRQKVSHTT FGHGSHLCLG DATA SEQUENCE QHLARREIIV TLKEWLTRIP DFSIAPGAQI QHKSGIVSGV QALPLVWDPA DATA SEQUENCE TTKAV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 10 N HA 0.000 nan 4.740 nan 0.000 0.220 10 N C 0.000 175.501 175.510 -0.015 0.000 1.280 10 N CA 0.000 53.040 53.050 -0.016 0.000 0.885 10 N CB 0.000 38.481 38.487 -0.010 0.000 1.341 11 L N 1.529 122.745 121.223 -0.011 0.000 2.313 11 L HA 0.747 5.109 4.340 0.035 0.000 0.283 11 L C -0.172 176.708 176.870 0.015 0.000 1.013 11 L CA -0.612 54.225 54.840 -0.005 0.000 0.816 11 L CB 0.694 42.747 42.059 -0.010 0.000 1.236 11 L HN 0.690 nan 8.230 nan 0.000 0.419 12 A N 5.560 128.400 122.820 0.034 0.000 2.371 12 A HA 0.676 5.017 4.320 0.035 0.000 0.257 12 A C -2.221 175.407 177.584 0.074 0.000 1.089 12 A CA -1.025 51.048 52.037 0.060 0.000 0.794 12 A CB -0.451 18.601 19.000 0.087 0.000 1.029 12 A HN 0.576 nan 8.150 nan 0.000 0.488 13 P HA 0.130 nan 4.420 nan 0.000 0.265 13 P C -0.384 176.931 177.300 0.025 0.000 1.193 13 P CA -0.265 62.853 63.100 0.030 0.000 0.765 13 P CB 0.278 31.988 31.700 0.017 0.000 0.823 14 L N 6.914 128.123 121.223 -0.023 0.000 2.534 14 L HA 0.190 4.551 4.340 0.035 0.000 0.271 14 L C -2.072 174.674 176.870 -0.207 0.000 1.178 14 L CA -1.315 53.445 54.840 -0.133 0.000 0.907 14 L CB -0.775 41.191 42.059 -0.155 0.000 1.164 14 L HN 0.324 nan 8.230 nan 0.000 0.482 15 P HA 0.184 nan 4.420 nan 0.000 0.269 15 P C -2.138 174.996 177.300 -0.276 0.000 1.209 15 P CA -1.005 61.935 63.100 -0.267 0.000 0.776 15 P CB 0.118 31.622 31.700 -0.327 0.000 0.876 16 P HA -0.187 nan 4.420 nan 0.000 0.219 16 P C 1.153 178.418 177.300 -0.058 0.000 1.146 16 P CA 1.433 64.495 63.100 -0.063 0.000 0.808 16 P CB -0.449 31.252 31.700 0.001 0.000 0.779 17 H N -1.643 117.358 119.070 -0.116 0.000 2.555 17 H HA 0.101 4.678 4.556 0.033 0.000 0.269 17 H C -0.059 175.224 175.328 -0.075 0.000 0.988 17 H CA 0.272 56.281 56.048 -0.065 0.000 1.178 17 H CB -0.657 29.095 29.762 -0.016 0.000 1.373 17 H HN -0.080 nan 8.280 nan 0.000 0.588 18 V N 5.406 124.927 119.914 -0.656 0.000 2.383 18 V HA 0.234 4.376 4.120 0.035 0.000 0.275 18 V C -1.944 173.962 176.094 -0.314 0.000 1.036 18 V CA -1.591 60.355 62.300 -0.590 0.000 0.889 18 V CB 1.527 32.627 31.823 -1.204 0.000 0.985 18 V HN 0.264 nan 8.190 nan 0.000 0.459 19 P HA 0.305 nan 4.420 nan 0.000 0.277 19 P C 0.461 177.683 177.300 -0.130 0.000 1.240 19 P CA -0.400 62.652 63.100 -0.080 0.000 0.798 19 P CB 1.431 33.163 31.700 0.053 0.000 0.979 20 E N 0.444 120.633 120.200 -0.019 0.000 2.153 20 E HA -0.228 4.143 4.350 0.035 0.000 0.194 20 E C 1.745 178.358 176.600 0.021 0.000 0.988 20 E CA 1.105 57.500 56.400 -0.008 0.000 0.811 20 E CB -0.387 29.329 29.700 0.028 0.000 0.746 20 E HN 0.644 nan 8.360 nan 0.000 0.466 21 H N 0.176 119.266 119.070 0.033 0.000 2.545 21 H HA -0.022 4.556 4.556 0.037 0.000 0.282 21 H C 1.598 176.984 175.328 0.096 0.000 1.020 21 H CA 0.690 56.770 56.048 0.054 0.000 1.243 21 H CB -0.119 29.670 29.762 0.045 0.000 1.377 21 H HN 0.207 nan 8.280 nan 0.000 0.581 22 L N 1.325 122.365 121.223 -0.305 0.000 2.607 22 L HA 0.170 4.532 4.340 0.035 0.000 0.228 22 L C 0.210 177.139 176.870 0.098 0.000 1.123 22 L CA -0.224 54.568 54.840 -0.079 0.000 0.890 22 L CB 0.676 42.706 42.059 -0.048 0.000 1.103 22 L HN -0.014 nan 8.230 nan 0.000 0.468 23 V N 0.781 120.739 119.914 0.073 0.000 2.455 23 V HA 0.086 4.228 4.120 0.035 0.000 0.273 23 V C -0.576 175.613 176.094 0.157 0.000 1.045 23 V CA 0.128 62.503 62.300 0.126 0.000 0.976 23 V CB 0.848 32.712 31.823 0.068 0.000 0.993 23 V HN 0.088 nan 8.190 nan 0.000 0.475 24 F N 3.907 123.863 119.950 0.010 0.000 2.659 24 F HA 0.413 4.959 4.527 0.033 0.000 0.342 24 F C 0.165 175.947 175.800 -0.030 0.000 1.168 24 F CA -0.744 57.254 58.000 -0.003 0.000 1.003 24 F CB 1.356 40.355 39.000 -0.001 0.000 1.267 24 F HN 0.473 nan 8.300 nan 0.000 0.463 25 D N 6.773 127.164 120.400 -0.014 0.000 2.688 25 D HA 0.011 4.672 4.640 0.035 0.000 0.228 25 D C -0.402 175.933 176.300 0.058 0.000 1.116 25 D CA 0.415 54.408 54.000 -0.011 0.000 1.023 25 D CB -0.132 40.616 40.800 -0.087 0.000 1.100 25 D HN 0.280 nan 8.370 nan 0.000 0.487 26 F N 1.690 121.664 119.950 0.040 0.000 2.427 26 F HA 0.138 4.686 4.527 0.035 0.000 0.352 26 F C 0.414 176.116 175.800 -0.163 0.000 1.100 26 F CA -0.730 57.249 58.000 -0.035 0.000 1.191 26 F CB 0.921 39.874 39.000 -0.079 0.000 1.128 26 F HN -0.125 nan 8.300 nan 0.000 0.533 27 D N 7.087 127.023 120.400 -0.773 0.000 2.427 27 D HA 0.115 4.776 4.640 0.035 0.000 0.226 27 D C 0.869 176.740 176.300 -0.715 0.000 1.076 27 D CA -0.484 53.217 54.000 -0.499 0.000 0.849 27 D CB 0.965 41.586 40.800 -0.299 0.000 1.052 27 D HN 0.728 nan 8.370 nan 0.000 0.515 28 M N 1.938 121.306 119.600 -0.387 0.000 2.446 28 M HA -0.082 4.420 4.480 0.035 0.000 0.263 28 M C 0.346 176.468 176.300 -0.298 0.000 1.066 28 M CA 1.229 56.333 55.300 -0.328 0.000 1.087 28 M CB -0.230 32.339 32.600 -0.051 0.000 1.406 28 M HN 0.229 nan 8.290 nan 0.000 0.459 29 Y N 0.185 120.449 120.300 -0.060 0.000 2.478 29 Y HA 0.238 4.820 4.550 0.054 0.000 0.261 29 Y C 0.467 176.340 175.900 -0.046 0.000 1.127 29 Y CA -0.115 57.977 58.100 -0.013 0.000 1.288 29 Y CB 0.473 38.921 38.460 -0.020 0.000 1.084 29 Y HN 0.434 nan 8.280 nan 0.000 0.530 30 N N 0.066 118.744 118.700 -0.035 0.000 2.805 30 N HA 0.122 4.883 4.740 0.035 0.000 0.216 30 N C -3.334 172.040 175.510 -0.227 0.000 1.447 30 N CA -1.500 51.507 53.050 -0.071 0.000 0.785 30 N CB 0.742 39.213 38.487 -0.028 0.000 1.458 30 N HN -0.226 nan 8.380 nan 0.000 0.547 31 P HA 0.151 nan 4.420 nan 0.000 0.271 31 P C 0.524 177.676 177.300 -0.248 0.000 1.218 31 P CA -0.074 62.691 63.100 -0.557 0.000 0.780 31 P CB 1.155 32.482 31.700 -0.623 0.000 0.901 32 S N 1.384 116.955 115.700 -0.216 0.000 2.383 32 S HA -0.139 4.353 4.470 0.035 0.000 0.229 32 S C 1.098 175.686 174.600 -0.020 0.000 1.030 32 S CA 1.460 59.608 58.200 -0.086 0.000 1.002 32 S CB -0.685 62.481 63.200 -0.056 0.000 0.829 32 S HN 0.560 nan 8.310 nan 0.000 0.467 33 N N 1.262 119.973 118.700 0.018 0.000 2.389 33 N HA 0.224 4.985 4.740 0.035 0.000 0.237 33 N C 0.800 176.350 175.510 0.068 0.000 1.148 33 N CA -0.110 52.973 53.050 0.054 0.000 0.854 33 N CB 0.113 38.653 38.487 0.088 0.000 1.115 33 N HN 0.171 nan 8.380 nan 0.000 0.492 34 L N 0.743 121.996 121.223 0.049 0.000 2.083 34 L HA -0.137 4.225 4.340 0.035 0.000 0.209 34 L C 2.028 178.942 176.870 0.073 0.000 1.083 34 L CA 1.596 56.490 54.840 0.090 0.000 0.752 34 L CB -0.836 41.267 42.059 0.074 0.000 0.899 34 L HN 0.260 nan 8.230 nan 0.000 0.433 35 S N -0.994 114.728 115.700 0.037 0.000 2.469 35 S HA -0.047 4.444 4.470 0.035 0.000 0.238 35 S C 1.927 176.527 174.600 -0.001 0.000 0.998 35 S CA 0.635 58.841 58.200 0.009 0.000 0.957 35 S CB -0.778 62.426 63.200 0.007 0.000 0.764 35 S HN 0.473 nan 8.310 nan 0.000 0.514 36 A N 1.115 123.953 122.820 0.031 0.000 2.208 36 A HA 0.564 4.905 4.320 0.035 0.000 0.209 36 A C 1.210 178.827 177.584 0.056 0.000 1.161 36 A CA 0.390 52.453 52.037 0.042 0.000 0.782 36 A CB -0.853 18.185 19.000 0.064 0.000 0.816 36 A HN 1.595 nan 8.150 nan 0.000 0.477 37 G N -2.374 106.458 108.800 0.053 0.000 2.697 37 G HA2 0.099 4.080 3.960 0.035 0.000 0.684 37 G HA3 0.099 4.080 3.960 0.035 0.000 0.684 37 G C 0.360 175.476 174.900 0.359 0.000 1.274 37 G CA -0.160 45.037 45.100 0.162 0.000 0.806 37 G HN 0.864 nan 8.290 nan 0.000 0.644 38 V N 1.537 121.838 119.914 0.645 0.000 2.358 38 V HA -0.128 4.013 4.120 0.035 0.000 0.246 38 V C 2.662 178.986 176.094 0.383 0.000 1.047 38 V CA 3.295 65.877 62.300 0.469 0.000 1.035 38 V CB -0.304 31.783 31.823 0.441 0.000 0.658 38 V HN 0.810 nan 8.190 nan 0.000 0.452 39 Q N 0.102 120.020 119.800 0.197 0.000 2.050 39 Q HA -0.231 4.130 4.340 0.035 0.000 0.202 39 Q C 2.088 178.184 176.000 0.160 0.000 0.980 39 Q CA 2.322 58.172 55.803 0.079 0.000 0.840 39 Q CB -0.346 28.348 28.738 -0.073 0.000 0.898 39 Q HN 0.705 nan 8.270 nan 0.000 0.424 40 E N 0.257 120.556 120.200 0.165 0.000 2.085 40 E HA -0.203 4.168 4.350 0.035 0.000 0.194 40 E C 1.820 178.527 176.600 0.179 0.000 0.994 40 E CA 1.352 57.837 56.400 0.141 0.000 0.801 40 E CB -0.379 29.398 29.700 0.128 0.000 0.743 40 E HN 0.425 nan 8.360 nan 0.000 0.453 41 A N -0.103 122.864 122.820 0.246 0.000 1.902 41 A HA -0.169 4.173 4.320 0.035 0.000 0.217 41 A C 1.805 179.573 177.584 0.306 0.000 1.181 41 A CA 1.348 53.532 52.037 0.244 0.000 0.623 41 A CB -0.988 18.149 19.000 0.228 0.000 0.818 41 A HN 0.377 nan 8.150 nan 0.000 0.443 42 W N -0.352 121.055 121.300 0.178 0.000 2.402 42 W HA 0.109 4.787 4.660 0.030 0.000 0.286 42 W C 2.588 179.027 176.519 -0.134 0.000 1.221 42 W CA 1.080 58.441 57.345 0.027 0.000 1.257 42 W CB -0.240 29.201 29.460 -0.031 0.000 1.120 42 W HN 0.361 nan 8.180 nan 0.000 0.551 43 A N -0.174 122.733 122.820 0.146 0.000 2.172 43 A HA -0.062 4.279 4.320 0.035 0.000 0.216 43 A C 1.913 179.490 177.584 -0.012 0.000 1.154 43 A CA 1.340 53.393 52.037 0.028 0.000 0.701 43 A CB -0.813 18.201 19.000 0.024 0.000 0.789 43 A HN 0.096 nan 8.150 nan 0.000 0.465 44 V N -0.014 119.914 119.914 0.024 0.000 2.568 44 V HA -0.251 3.890 4.120 0.035 0.000 0.253 44 V C 2.225 178.247 176.094 -0.119 0.000 1.072 44 V CA 1.791 64.113 62.300 0.037 0.000 1.084 44 V CB -0.700 31.227 31.823 0.173 0.000 0.676 44 V HN 0.649 nan 8.190 nan 0.000 0.469 45 L N -0.636 120.399 121.223 -0.314 0.000 2.622 45 L HA -0.074 4.287 4.340 0.035 0.000 0.233 45 L C 1.873 178.559 176.870 -0.308 0.000 1.156 45 L CA 0.965 55.484 54.840 -0.534 0.000 0.866 45 L CB -0.318 41.353 42.059 -0.647 0.000 0.980 45 L HN 0.400 nan 8.230 nan 0.000 0.448 46 Q N -0.682 119.015 119.800 -0.172 0.000 2.172 46 Q HA 0.153 4.514 4.340 0.035 0.000 0.217 46 Q C -0.090 175.871 176.000 -0.065 0.000 0.832 46 Q CA -0.187 55.550 55.803 -0.111 0.000 1.010 46 Q CB 0.742 29.426 28.738 -0.091 0.000 1.133 46 Q HN 0.450 nan 8.270 nan 0.000 0.489 47 E N 0.276 120.449 120.200 -0.046 0.000 2.392 47 E HA 0.020 4.391 4.350 0.035 0.000 0.256 47 E C 0.696 177.298 176.600 0.005 0.000 1.145 47 E CA -0.096 56.304 56.400 -0.000 0.000 0.929 47 E CB 0.838 30.564 29.700 0.044 0.000 0.998 47 E HN -0.022 nan 8.360 nan 0.000 0.442 48 S N 1.523 117.232 115.700 0.015 0.000 2.387 48 S HA -0.189 4.303 4.470 0.035 0.000 0.230 48 S C 1.374 175.990 174.600 0.027 0.000 1.035 48 S CA 1.908 60.117 58.200 0.014 0.000 1.014 48 S CB -0.259 62.950 63.200 0.016 0.000 0.836 48 S HN 0.611 nan 8.310 nan 0.000 0.466 49 N N 0.881 119.612 118.700 0.052 0.000 2.383 49 N HA 0.011 4.773 4.740 0.035 0.000 0.192 49 N C -0.303 175.260 175.510 0.090 0.000 1.141 49 N CA 0.104 53.197 53.050 0.072 0.000 0.851 49 N CB -0.070 38.469 38.487 0.087 0.000 0.976 49 N HN 0.249 nan 8.380 nan 0.000 0.465 50 V N 1.938 121.884 119.914 0.053 0.000 2.370 50 V HA 0.391 4.532 4.120 0.035 0.000 0.283 50 V C -2.160 173.934 176.094 -0.001 0.000 1.023 50 V CA -1.777 60.538 62.300 0.025 0.000 0.857 50 V CB 1.427 33.195 31.823 -0.092 0.000 0.985 50 V HN 0.019 nan 8.190 nan 0.000 0.443 51 P HA 0.196 nan 4.420 nan 0.000 0.273 51 P C 0.196 177.484 177.300 -0.019 0.000 1.250 51 P CA -0.252 62.865 63.100 0.027 0.000 0.793 51 P CB 0.828 32.575 31.700 0.079 0.000 1.011 52 D N -0.727 119.654 120.400 -0.032 0.000 2.264 52 D HA -0.023 4.638 4.640 0.035 0.000 0.208 52 D C 0.305 176.566 176.300 -0.065 0.000 0.966 52 D CA 1.430 55.383 54.000 -0.078 0.000 0.864 52 D CB -0.158 40.566 40.800 -0.125 0.000 0.933 52 D HN 0.072 nan 8.370 nan 0.000 0.499 53 L N 0.497 121.718 121.223 -0.003 0.000 2.441 53 L HA 0.358 4.719 4.340 0.035 0.000 0.270 53 L C -0.958 176.043 176.870 0.218 0.000 0.973 53 L CA -1.063 53.824 54.840 0.078 0.000 0.842 53 L CB 1.877 43.945 42.059 0.015 0.000 1.239 53 L HN -0.151 nan 8.230 nan 0.000 0.406 54 V N 1.663 121.746 119.914 0.281 0.000 2.960 54 V HA 0.658 4.799 4.120 0.035 0.000 0.315 54 V C -1.210 175.123 176.094 0.398 0.000 1.087 54 V CA -0.751 61.732 62.300 0.306 0.000 0.982 54 V CB 2.089 33.974 31.823 0.104 0.000 1.039 54 V HN 0.917 nan 8.190 nan 0.000 0.437 55 W N 2.770 124.058 121.300 -0.021 0.000 2.391 55 W HA 0.593 5.274 4.660 0.036 0.000 0.311 55 W C -0.588 175.780 176.519 -0.252 0.000 1.087 55 W CA -0.170 56.936 57.345 -0.398 0.000 1.209 55 W CB 1.832 30.859 29.460 -0.722 0.000 1.273 55 W HN 0.863 nan 8.180 nan 0.000 0.482 56 T N 5.458 119.509 114.554 -0.837 0.000 2.829 56 T HA 0.340 4.711 4.350 0.035 0.000 0.282 56 T C 1.053 175.258 174.700 -0.825 0.000 0.990 56 T CA -0.406 61.320 62.100 -0.623 0.000 1.028 56 T CB 1.035 69.611 68.868 -0.487 0.000 0.951 56 T HN 0.620 nan 8.240 nan 0.000 0.460 57 R N 2.042 122.370 120.500 -0.288 0.000 2.310 57 R HA 0.183 4.544 4.340 0.035 0.000 0.202 57 R C 0.599 176.829 176.300 -0.117 0.000 0.933 57 R CA -0.184 55.855 56.100 -0.102 0.000 1.054 57 R CB -0.283 30.051 30.300 0.056 0.000 0.985 57 R HN 0.556 nan 8.270 nan 0.000 0.489 58 C N 1.376 120.578 119.300 -0.164 0.000 2.656 58 C HA 0.096 4.577 4.460 0.035 0.000 0.391 58 C C 0.906 175.887 174.990 -0.015 0.000 1.300 58 C CA -0.391 58.580 59.018 -0.078 0.000 2.302 58 C CB -0.096 27.599 27.740 -0.074 0.000 2.655 58 C HN 0.686 nan 8.230 nan 0.000 0.656 59 N N 0.429 119.154 118.700 0.043 0.000 2.735 59 N HA -0.149 4.613 4.740 0.035 0.000 0.248 59 N C 0.713 176.271 175.510 0.081 0.000 1.083 59 N CA 0.938 54.045 53.050 0.095 0.000 0.703 59 N CB -1.200 37.408 38.487 0.203 0.000 1.005 59 N HN 1.391 nan 8.380 nan 0.000 0.550 60 G N -1.883 106.942 108.800 0.042 0.000 2.217 60 G HA2 0.124 4.105 3.960 0.035 0.000 0.246 60 G HA3 0.124 4.105 3.960 0.035 0.000 0.246 60 G C 0.523 175.453 174.900 0.051 0.000 0.990 60 G CA 0.312 45.441 45.100 0.049 0.000 0.627 60 G HN 1.598 nan 8.290 nan 0.000 0.522 61 G N -0.703 108.063 108.800 -0.057 0.000 3.338 61 G HA2 0.594 4.575 3.960 0.035 0.000 0.686 61 G HA3 0.594 4.575 3.960 0.035 0.000 0.686 61 G C -0.557 173.912 174.900 -0.718 0.000 1.053 61 G CA 0.597 45.500 45.100 -0.328 0.000 0.852 61 G HN 2.819 nan 8.290 nan 0.000 0.545 62 H N -1.555 116.487 119.070 -1.713 0.000 2.987 62 H HA 0.658 5.236 4.556 0.036 0.000 0.316 62 H C -0.662 173.949 175.328 -1.195 0.000 1.380 62 H CA -1.612 53.681 56.048 -1.258 0.000 1.160 62 H CB 0.198 29.705 29.762 -0.425 0.000 1.865 62 H HN 0.636 nan 8.280 nan 0.000 0.521 63 W N 0.904 122.111 121.300 -0.155 0.000 2.215 63 W HA 0.608 5.290 4.660 0.037 0.000 0.342 63 W C -0.286 176.277 176.519 0.073 0.000 1.237 63 W CA -0.581 56.791 57.345 0.046 0.000 1.283 63 W CB 0.826 30.429 29.460 0.237 0.000 1.131 63 W HN 0.434 nan 8.180 nan 0.000 0.606 64 I N 2.515 123.262 120.570 0.294 0.000 2.512 64 I HA 0.373 4.564 4.170 0.035 0.000 0.287 64 I C -0.198 175.985 176.117 0.110 0.000 1.069 64 I CA -1.149 60.249 61.300 0.163 0.000 1.056 64 I CB 1.353 39.366 38.000 0.021 0.000 1.229 64 I HN 0.444 nan 8.210 nan 0.000 0.429 65 A N 3.328 126.181 122.820 0.056 0.000 2.366 65 A HA 0.504 4.845 4.320 0.035 0.000 0.272 65 A C 0.887 178.435 177.584 -0.060 0.000 1.135 65 A CA -0.057 51.972 52.037 -0.014 0.000 0.804 65 A CB 0.188 19.154 19.000 -0.057 0.000 1.064 65 A HN 0.851 nan 8.150 nan 0.000 0.499 66 T N -0.355 114.145 114.554 -0.090 0.000 3.044 66 T HA 0.309 4.681 4.350 0.035 0.000 0.260 66 T C 0.494 175.127 174.700 -0.111 0.000 1.019 66 T CA -0.237 61.792 62.100 -0.118 0.000 0.921 66 T CB 0.053 68.824 68.868 -0.162 0.000 1.053 66 T HN 0.555 nan 8.240 nan 0.000 0.533 67 R N -0.101 120.334 120.500 -0.110 0.000 2.795 67 R HA 0.585 4.947 4.340 0.035 0.000 0.275 67 R C 1.399 177.638 176.300 -0.101 0.000 0.981 67 R CA -0.329 55.708 56.100 -0.104 0.000 0.917 67 R CB 1.176 31.410 30.300 -0.109 0.000 1.202 67 R HN 0.176 nan 8.270 nan 0.000 0.469 68 G N 0.845 109.592 108.800 -0.088 0.000 2.469 68 G HA2 -0.337 3.644 3.960 0.035 0.000 0.219 68 G HA3 -0.337 3.644 3.960 0.035 0.000 0.219 68 G C 1.045 175.890 174.900 -0.092 0.000 1.150 68 G CA 0.926 45.974 45.100 -0.086 0.000 0.763 68 G HN 0.638 nan 8.290 nan 0.000 0.561 69 Q N -0.587 119.162 119.800 -0.085 0.000 2.061 69 Q HA -0.094 4.267 4.340 0.035 0.000 0.204 69 Q C 2.531 178.485 176.000 -0.076 0.000 0.984 69 Q CA 1.222 56.987 55.803 -0.064 0.000 0.846 69 Q CB -0.170 28.542 28.738 -0.043 0.000 0.902 69 Q HN 0.415 nan 8.270 nan 0.000 0.421 70 L N 0.314 121.435 121.223 -0.171 0.000 2.072 70 L HA -0.125 4.237 4.340 0.035 0.000 0.205 70 L C 2.215 179.063 176.870 -0.037 0.000 1.079 70 L CA 1.176 55.900 54.840 -0.194 0.000 0.752 70 L CB -0.364 41.495 42.059 -0.335 0.000 0.906 70 L HN 0.282 nan 8.230 nan 0.000 0.436 71 I N -0.900 119.619 120.570 -0.084 0.000 2.163 71 I HA -0.340 3.852 4.170 0.035 0.000 0.243 71 I C 2.652 178.771 176.117 0.004 0.000 1.085 71 I CA 1.319 62.566 61.300 -0.089 0.000 1.347 71 I CB -0.316 37.652 38.000 -0.053 0.000 1.044 71 I HN 0.214 nan 8.210 nan 0.000 0.408 72 R N 0.308 120.788 120.500 -0.033 0.000 2.081 72 R HA -0.210 4.151 4.340 0.035 0.000 0.235 72 R C 2.246 178.634 176.300 0.147 0.000 1.131 72 R CA 1.542 57.577 56.100 -0.109 0.000 0.960 72 R CB -0.369 29.696 30.300 -0.392 0.000 0.856 72 R HN 0.442 nan 8.270 nan 0.000 0.436 73 E N 0.547 120.834 120.200 0.146 0.000 2.077 73 E HA -0.190 4.181 4.350 0.035 0.000 0.193 73 E C 1.961 178.686 176.600 0.208 0.000 0.989 73 E CA 1.179 57.737 56.400 0.264 0.000 0.800 73 E CB -0.013 29.925 29.700 0.398 0.000 0.746 73 E HN 0.361 nan 8.360 nan 0.000 0.452 74 A N 0.155 122.941 122.820 -0.058 0.000 1.877 74 A HA -0.199 4.142 4.320 0.035 0.000 0.216 74 A C 1.937 179.426 177.584 -0.158 0.000 1.186 74 A CA 1.408 53.082 52.037 -0.604 0.000 0.620 74 A CB -0.941 17.373 19.000 -1.142 0.000 0.822 74 A HN 0.394 nan 8.150 nan 0.000 0.443 75 Y N 0.369 120.671 120.300 0.003 0.000 2.165 75 Y HA -0.207 4.364 4.550 0.036 0.000 0.286 75 Y C 2.481 178.526 175.900 0.242 0.000 1.155 75 Y CA 1.882 60.077 58.100 0.157 0.000 1.164 75 Y CB -0.445 38.169 38.460 0.257 0.000 0.978 75 Y HN 0.485 nan 8.280 nan 0.000 0.513 76 E N -0.953 119.499 120.200 0.421 0.000 2.107 76 E HA -0.158 4.213 4.350 0.035 0.000 0.191 76 E C 0.524 177.260 176.600 0.226 0.000 0.982 76 E CA 0.989 57.578 56.400 0.314 0.000 0.809 76 E CB -0.033 29.832 29.700 0.275 0.000 0.756 76 E HN 0.156 nan 8.360 nan 0.000 0.459 77 D N 0.187 120.726 120.400 0.233 0.000 2.563 77 D HA -0.028 4.633 4.640 0.035 0.000 0.222 77 D C 0.235 176.618 176.300 0.139 0.000 1.145 77 D CA -0.368 53.713 54.000 0.135 0.000 1.001 77 D CB -0.148 40.838 40.800 0.309 0.000 1.049 77 D HN 0.201 nan 8.370 nan 0.000 0.515 78 Y N 0.795 121.185 120.300 0.150 0.000 2.571 78 Y HA 0.142 4.712 4.550 0.035 0.000 0.294 78 Y C 1.785 177.687 175.900 0.004 0.000 1.141 78 Y CA 0.161 58.332 58.100 0.118 0.000 1.308 78 Y CB -0.333 38.204 38.460 0.129 0.000 1.002 78 Y HN 0.054 nan 8.280 nan 0.000 0.551 79 R N -0.106 120.212 120.500 -0.304 0.000 2.073 79 R HA -0.067 4.294 4.340 0.035 0.000 0.229 79 R C 1.487 177.527 176.300 -0.433 0.000 1.120 79 R CA 1.901 57.800 56.100 -0.335 0.000 0.967 79 R CB -0.460 29.533 30.300 -0.512 0.000 0.862 79 R HN 0.541 nan 8.270 nan 0.000 0.436 80 H N -1.560 117.268 119.070 -0.402 0.000 2.465 80 H HA 0.090 4.667 4.556 0.034 0.000 0.289 80 H C -0.205 174.714 175.328 -0.682 0.000 1.022 80 H CA 0.423 56.037 56.048 -0.724 0.000 1.340 80 H CB 0.375 29.312 29.762 -1.376 0.000 1.437 80 H HN -0.030 nan 8.280 nan 0.000 0.539 81 F N 0.820 120.749 119.950 -0.035 0.000 2.366 81 F HA 0.307 4.854 4.527 0.033 0.000 0.366 81 F C 0.123 175.937 175.800 0.024 0.000 1.096 81 F CA -0.751 57.231 58.000 -0.029 0.000 1.060 81 F CB 1.427 40.377 39.000 -0.084 0.000 1.282 81 F HN -0.124 nan 8.300 nan 0.000 0.450 82 S N 1.103 116.895 115.700 0.153 0.000 2.554 82 S HA 0.300 4.792 4.470 0.035 0.000 0.278 82 S C 0.967 175.617 174.600 0.083 0.000 1.242 82 S CA -0.510 57.763 58.200 0.123 0.000 1.051 82 S CB 1.194 64.438 63.200 0.072 0.000 0.986 82 S HN 0.525 nan 8.310 nan 0.000 0.502 83 S N 3.076 118.819 115.700 0.072 0.000 2.603 83 S HA 0.052 4.543 4.470 0.035 0.000 0.220 83 S C 1.414 176.002 174.600 -0.021 0.000 0.967 83 S CA 0.016 58.204 58.200 -0.019 0.000 0.920 83 S CB -0.177 62.980 63.200 -0.071 0.000 0.773 83 S HN 0.784 nan 8.310 nan 0.000 0.529 84 E N 0.077 120.285 120.200 0.013 0.000 2.153 84 E HA -0.109 4.263 4.350 0.035 0.000 0.194 84 E C 0.593 177.184 176.600 -0.016 0.000 0.988 84 E CA 0.679 57.086 56.400 0.011 0.000 0.811 84 E CB 0.101 29.815 29.700 0.023 0.000 0.746 84 E HN 0.351 nan 8.360 nan 0.000 0.466 85 C N 1.360 120.634 119.300 -0.043 0.000 3.328 85 C HA 0.313 4.794 4.460 0.035 0.000 0.230 85 C C -2.004 172.899 174.990 -0.146 0.000 1.232 85 C CA -1.576 57.393 59.018 -0.082 0.000 1.431 85 C CB 0.398 28.118 27.740 -0.033 0.000 1.818 85 C HN 0.179 nan 8.230 nan 0.000 0.484 86 P HA 0.165 nan 4.420 nan 0.000 0.245 86 P C 0.027 177.202 177.300 -0.207 0.000 1.199 86 P CA 0.528 63.416 63.100 -0.354 0.000 0.807 86 P CB 0.285 31.615 31.700 -0.617 0.000 1.002 87 F N 0.156 119.903 119.950 -0.338 0.000 2.458 87 F HA 0.413 4.953 4.527 0.022 0.000 0.330 87 F C 0.945 176.580 175.800 -0.276 0.000 1.082 87 F CA -2.266 55.520 58.000 -0.355 0.000 0.995 87 F CB 0.401 39.080 39.000 -0.535 0.000 1.170 87 F HN -0.342 nan 8.300 nan 0.000 0.478 88 I N 4.935 125.486 120.570 -0.031 0.000 2.385 88 I HA 0.341 4.533 4.170 0.035 0.000 0.294 88 I C -1.977 174.183 176.117 0.070 0.000 0.988 88 I CA -1.943 59.304 61.300 -0.088 0.000 1.265 88 I CB 1.289 39.086 38.000 -0.338 0.000 1.388 88 I HN 0.354 nan 8.210 nan 0.000 0.480 89 P HA 0.155 nan 4.420 nan 0.000 0.276 89 P C 0.422 177.696 177.300 -0.043 0.000 1.261 89 P CA -0.516 62.584 63.100 -0.000 0.000 0.800 89 P CB 0.867 32.567 31.700 0.001 0.000 1.066 90 R N 0.599 121.085 120.500 -0.024 0.000 2.119 90 R HA -0.231 4.130 4.340 0.035 0.000 0.246 90 R C 2.101 178.375 176.300 -0.044 0.000 1.146 90 R CA 2.089 58.175 56.100 -0.025 0.000 0.962 90 R CB -0.344 29.963 30.300 0.013 0.000 0.863 90 R HN 0.548 nan 8.270 nan 0.000 0.442 91 E N -0.759 119.422 120.200 -0.032 0.000 2.110 91 E HA -0.193 4.179 4.350 0.035 0.000 0.193 91 E C 1.730 178.290 176.600 -0.067 0.000 0.988 91 E CA 1.122 57.509 56.400 -0.022 0.000 0.804 91 E CB -0.029 29.674 29.700 0.004 0.000 0.745 91 E HN 0.508 nan 8.360 nan 0.000 0.458 92 A N 0.479 123.205 122.820 -0.157 0.000 1.872 92 A HA -0.052 4.289 4.320 0.035 0.000 0.214 92 A C 2.415 179.645 177.584 -0.590 0.000 1.187 92 A CA 1.516 53.258 52.037 -0.491 0.000 0.614 92 A CB -1.159 17.515 19.000 -0.543 0.000 0.826 92 A HN 0.422 nan 8.150 nan 0.000 0.442 93 G N -0.355 108.252 108.800 -0.322 0.000 2.469 93 G HA2 -0.255 3.727 3.960 0.035 0.000 0.219 93 G HA3 -0.255 3.727 3.960 0.035 0.000 0.219 93 G C 1.432 176.244 174.900 -0.145 0.000 1.150 93 G CA 1.129 46.076 45.100 -0.255 0.000 0.763 93 G HN 0.662 nan 8.290 nan 0.000 0.561 94 E N 0.378 120.524 120.200 -0.089 0.000 2.072 94 E HA 0.017 4.388 4.350 0.035 0.000 0.191 94 E C 2.892 179.494 176.600 0.003 0.000 0.985 94 E CA 0.692 57.075 56.400 -0.027 0.000 0.801 94 E CB -0.157 29.540 29.700 -0.006 0.000 0.750 94 E HN 0.421 nan 8.360 nan 0.000 0.452 95 A N 0.784 123.612 122.820 0.013 0.000 2.015 95 A HA -0.138 4.204 4.320 0.035 0.000 0.219 95 A C 0.845 178.512 177.584 0.140 0.000 1.163 95 A CA 0.376 52.478 52.037 0.107 0.000 0.646 95 A CB -0.468 18.670 19.000 0.231 0.000 0.806 95 A HN 0.340 nan 8.150 nan 0.000 0.448 96 Y N 2.017 122.259 120.300 -0.097 0.000 2.496 96 Y HA 0.261 4.826 4.550 0.025 0.000 0.334 96 Y C 0.193 176.025 175.900 -0.114 0.000 1.080 96 Y CA -0.078 57.942 58.100 -0.133 0.000 1.355 96 Y CB 0.581 38.793 38.460 -0.414 0.000 1.193 96 Y HN 0.418 nan 8.280 nan 0.000 0.523 97 D N 4.701 124.834 120.400 -0.446 0.000 2.692 97 D HA 0.024 4.686 4.640 0.035 0.000 0.290 97 D C -0.691 175.522 176.300 -0.146 0.000 1.455 97 D CA -0.321 53.553 54.000 -0.211 0.000 0.796 97 D CB -0.732 40.065 40.800 -0.005 0.000 1.131 97 D HN 0.152 nan 8.370 nan 0.000 0.467 98 F N 1.237 120.797 119.950 -0.650 0.000 2.545 98 F HA 0.321 4.878 4.527 0.050 0.000 0.348 98 F C 1.198 176.844 175.800 -0.258 0.000 1.163 98 F CA -0.886 56.878 58.000 -0.393 0.000 1.331 98 F CB 0.409 39.153 39.000 -0.427 0.000 1.138 98 F HN -0.087 nan 8.300 nan 0.000 0.602 99 I N 4.312 124.873 120.570 -0.015 0.000 2.433 99 I HA 0.224 4.416 4.170 0.035 0.000 0.292 99 I C -1.854 174.232 176.117 -0.052 0.000 1.001 99 I CA -1.712 59.495 61.300 -0.155 0.000 1.119 99 I CB 2.450 40.174 38.000 -0.461 0.000 1.289 99 I HN 0.321 nan 8.210 nan 0.000 0.438 100 P HA 0.037 nan 4.420 nan 0.000 0.261 100 P C 1.249 178.685 177.300 0.227 0.000 1.268 100 P CA 0.220 63.361 63.100 0.069 0.000 0.833 100 P CB 0.019 31.798 31.700 0.132 0.000 1.231 101 T N -2.228 112.476 114.554 0.249 0.000 2.803 101 T HA -0.164 4.207 4.350 0.035 0.000 0.269 101 T C 1.731 176.533 174.700 0.169 0.000 1.052 101 T CA 1.833 64.093 62.100 0.267 0.000 1.136 101 T CB -1.277 67.813 68.868 0.370 0.000 0.864 101 T HN 0.219 nan 8.240 nan 0.000 0.467 102 S N 0.087 115.873 115.700 0.144 0.000 2.631 102 S HA 0.384 4.875 4.470 0.035 0.000 0.217 102 S C 0.435 175.076 174.600 0.068 0.000 0.958 102 S CA -0.644 57.606 58.200 0.083 0.000 0.920 102 S CB -0.667 62.525 63.200 -0.013 0.000 0.776 102 S HN 0.490 nan 8.310 nan 0.000 0.517 103 M N 1.881 121.559 119.600 0.131 0.000 2.578 103 M HA 0.485 4.986 4.480 0.035 0.000 0.321 103 M C -0.977 175.440 176.300 0.195 0.000 1.182 103 M CA -0.672 54.701 55.300 0.122 0.000 0.965 103 M CB 1.573 34.227 32.600 0.091 0.000 1.694 103 M HN 0.043 nan 8.290 nan 0.000 0.461 104 D N 1.849 122.313 120.400 0.106 0.000 2.268 104 D HA 0.452 5.113 4.640 0.035 0.000 0.249 104 D C -2.447 173.772 176.300 -0.135 0.000 1.008 104 D CA -1.228 52.792 54.000 0.035 0.000 0.939 104 D CB 0.996 41.829 40.800 0.056 0.000 1.170 104 D HN 0.158 nan 8.370 nan 0.000 0.468 105 P HA 0.060 nan 4.420 nan 0.000 0.268 105 P C -1.695 175.457 177.300 -0.247 0.000 1.208 105 P CA -0.769 62.071 63.100 -0.433 0.000 0.777 105 P CB 0.162 31.374 31.700 -0.813 0.000 0.875 106 P HA -0.104 nan 4.420 nan 0.000 0.224 106 P C 1.159 178.428 177.300 -0.051 0.000 1.157 106 P CA 1.124 64.178 63.100 -0.077 0.000 0.799 106 P CB -0.019 31.667 31.700 -0.023 0.000 0.809 107 E N 0.852 121.047 120.200 -0.007 0.000 2.204 107 E HA -0.241 4.130 4.350 0.035 0.000 0.195 107 E C 2.217 178.898 176.600 0.135 0.000 0.990 107 E CA 0.642 57.077 56.400 0.060 0.000 0.821 107 E CB -0.700 29.061 29.700 0.102 0.000 0.750 107 E HN 0.193 nan 8.360 nan 0.000 0.477 108 Q N 1.192 121.037 119.800 0.075 0.000 2.096 108 Q HA -0.220 4.141 4.340 0.035 0.000 0.204 108 Q C 2.262 178.322 176.000 0.100 0.000 0.982 108 Q CA 1.551 57.417 55.803 0.106 0.000 0.850 108 Q CB -0.041 28.646 28.738 -0.084 0.000 0.901 108 Q HN 0.348 nan 8.270 nan 0.000 0.422 109 R N 0.231 120.716 120.500 -0.024 0.000 2.096 109 R HA -0.180 4.181 4.340 0.035 0.000 0.235 109 R C 2.497 178.766 176.300 -0.052 0.000 1.127 109 R CA 1.766 57.832 56.100 -0.057 0.000 0.968 109 R CB -0.293 29.956 30.300 -0.085 0.000 0.861 109 R HN 0.575 nan 8.270 nan 0.000 0.440 110 Q N -0.428 119.303 119.800 -0.115 0.000 2.291 110 Q HA -0.141 4.220 4.340 0.035 0.000 0.206 110 Q C 1.317 177.135 176.000 -0.303 0.000 0.976 110 Q CA 1.435 57.087 55.803 -0.251 0.000 0.875 110 Q CB -0.238 28.261 28.738 -0.398 0.000 0.927 110 Q HN 0.346 nan 8.270 nan 0.000 0.450 111 F N 0.912 120.844 119.950 -0.029 0.000 2.569 111 F HA 0.188 4.738 4.527 0.040 0.000 0.295 111 F C 2.332 178.123 175.800 -0.015 0.000 1.115 111 F CA 0.126 58.116 58.000 -0.017 0.000 1.450 111 F CB 0.134 39.131 39.000 -0.006 0.000 1.107 111 F HN -0.072 nan 8.300 nan 0.000 0.563 112 R N 0.456 121.029 120.500 0.123 0.000 2.105 112 R HA -0.165 4.196 4.340 0.035 0.000 0.239 112 R C 2.448 178.772 176.300 0.039 0.000 1.135 112 R CA 1.272 57.410 56.100 0.065 0.000 0.967 112 R CB -0.746 29.564 30.300 0.017 0.000 0.861 112 R HN 0.283 nan 8.270 nan 0.000 0.442 113 A N 1.199 124.025 122.820 0.011 0.000 1.902 113 A HA -0.162 4.179 4.320 0.035 0.000 0.217 113 A C 2.077 179.668 177.584 0.012 0.000 1.181 113 A CA 1.087 53.123 52.037 -0.001 0.000 0.623 113 A CB -0.411 18.573 19.000 -0.028 0.000 0.818 113 A HN 0.230 nan 8.150 nan 0.000 0.443 114 L N -0.289 120.949 121.223 0.025 0.000 2.027 114 L HA -0.006 4.355 4.340 0.035 0.000 0.206 114 L C 2.678 179.578 176.870 0.050 0.000 1.074 114 L CA 2.178 57.041 54.840 0.037 0.000 0.745 114 L CB -0.870 41.226 42.059 0.061 0.000 0.898 114 L HN 0.328 nan 8.230 nan 0.000 0.433 115 A N -0.580 122.282 122.820 0.070 0.000 1.933 115 A HA -0.238 4.104 4.320 0.035 0.000 0.218 115 A C 2.144 179.758 177.584 0.049 0.000 1.175 115 A CA 1.795 53.870 52.037 0.064 0.000 0.628 115 A CB -0.865 18.180 19.000 0.075 0.000 0.814 115 A HN 0.579 nan 8.150 nan 0.000 0.444 116 N N -0.259 118.467 118.700 0.042 0.000 2.205 116 N HA -0.159 4.603 4.740 0.035 0.000 0.186 116 N C 1.811 177.336 175.510 0.026 0.000 1.015 116 N CA 1.319 54.391 53.050 0.036 0.000 0.862 116 N CB -0.358 38.146 38.487 0.028 0.000 0.986 116 N HN 0.660 nan 8.380 nan 0.000 0.429 117 Q N -0.369 119.442 119.800 0.019 0.000 2.291 117 Q HA -0.067 4.294 4.340 0.035 0.000 0.205 117 Q C 1.654 177.660 176.000 0.010 0.000 0.970 117 Q CA 1.110 56.919 55.803 0.009 0.000 0.876 117 Q CB 0.333 29.075 28.738 0.005 0.000 0.935 117 Q HN 0.409 nan 8.270 nan 0.000 0.455 118 V N -3.766 116.160 119.914 0.019 0.000 3.523 118 V HA 0.089 4.230 4.120 0.035 0.000 0.255 118 V C 1.387 177.496 176.094 0.025 0.000 1.226 118 V CA 0.529 62.837 62.300 0.014 0.000 1.092 118 V CB 0.758 32.589 31.823 0.014 0.000 0.817 118 V HN 0.189 nan 8.190 nan 0.000 0.458 119 V N -2.359 117.581 119.914 0.042 0.000 3.382 119 V HA 0.713 4.854 4.120 0.035 0.000 0.296 119 V C 1.054 177.184 176.094 0.059 0.000 1.529 119 V CA 0.340 62.673 62.300 0.055 0.000 1.048 119 V CB -0.477 31.392 31.823 0.077 0.000 0.878 119 V HN 0.444 nan 8.190 nan 0.000 0.442 120 G N -0.468 108.367 108.800 0.059 0.000 2.588 120 G HA2 0.360 4.341 3.960 0.035 0.000 0.278 120 G HA3 0.360 4.341 3.960 0.035 0.000 0.278 120 G C 0.718 175.647 174.900 0.049 0.000 1.307 120 G CA -0.109 45.042 45.100 0.086 0.000 1.016 120 G HN -0.009 nan 8.290 nan 0.000 0.503 121 M N 0.364 119.958 119.600 -0.010 0.000 2.089 121 M HA -0.080 4.421 4.480 0.035 0.000 0.257 121 M C 0.180 176.454 176.300 -0.043 0.000 1.071 121 M CA 1.737 56.986 55.300 -0.085 0.000 1.096 121 M CB -1.973 30.491 32.600 -0.226 0.000 1.330 121 M HN 0.232 nan 8.290 nan 0.000 0.403 122 P HA -0.107 nan 4.420 nan 0.000 0.216 122 P C 1.907 179.200 177.300 -0.012 0.000 1.150 122 P CA 1.104 64.190 63.100 -0.024 0.000 0.837 122 P CB -0.052 31.636 31.700 -0.021 0.000 0.786 123 V N -0.669 119.242 119.914 -0.005 0.000 2.358 123 V HA -0.173 3.968 4.120 0.035 0.000 0.246 123 V C 2.413 178.509 176.094 0.003 0.000 1.047 123 V CA 1.551 63.850 62.300 -0.002 0.000 1.035 123 V CB -1.055 30.769 31.823 0.002 0.000 0.658 123 V HN -0.039 nan 8.190 nan 0.000 0.452 124 V N 0.269 120.191 119.914 0.013 0.000 2.392 124 V HA -0.277 3.864 4.120 0.035 0.000 0.249 124 V C 2.263 178.366 176.094 0.016 0.000 1.059 124 V CA 2.172 64.486 62.300 0.023 0.000 1.051 124 V CB -0.750 31.097 31.823 0.039 0.000 0.658 124 V HN 0.554 nan 8.190 nan 0.000 0.455 125 D N 0.160 120.562 120.400 0.004 0.000 2.104 125 D HA -0.154 4.507 4.640 0.035 0.000 0.194 125 D C 2.253 178.555 176.300 0.004 0.000 0.994 125 D CA 1.216 55.218 54.000 0.002 0.000 0.830 125 D CB -0.265 40.530 40.800 -0.008 0.000 0.959 125 D HN 0.427 nan 8.370 nan 0.000 0.452 126 K N -0.015 120.384 120.400 -0.001 0.000 2.103 126 K HA -0.062 4.279 4.320 0.035 0.000 0.207 126 K C 1.967 178.567 176.600 0.000 0.000 1.048 126 K CA 0.697 56.982 56.287 -0.003 0.000 0.930 126 K CB -0.054 32.440 32.500 -0.010 0.000 0.716 126 K HN 0.214 nan 8.250 nan 0.000 0.444 127 L N 0.359 121.585 121.223 0.004 0.000 2.585 127 L HA 0.034 4.395 4.340 0.035 0.000 0.226 127 L C 2.239 179.125 176.870 0.027 0.000 1.113 127 L CA 0.019 54.863 54.840 0.007 0.000 0.876 127 L CB -0.109 41.949 42.059 -0.001 0.000 1.072 127 L HN 0.214 nan 8.230 nan 0.000 0.468 128 E N 1.831 122.049 120.200 0.031 0.000 2.108 128 E HA -0.312 4.059 4.350 0.035 0.000 0.203 128 E C 1.761 178.396 176.600 0.059 0.000 1.022 128 E CA 2.086 58.515 56.400 0.048 0.000 0.823 128 E CB -0.031 29.692 29.700 0.038 0.000 0.744 128 E HN 0.639 nan 8.360 nan 0.000 0.456 129 N N 0.035 118.763 118.700 0.045 0.000 2.416 129 N HA -0.103 4.658 4.740 0.035 0.000 0.177 129 N C 1.567 177.111 175.510 0.056 0.000 1.036 129 N CA 0.385 53.465 53.050 0.049 0.000 0.901 129 N CB -0.205 38.303 38.487 0.035 0.000 0.976 129 N HN 0.173 nan 8.380 nan 0.000 0.444 130 R N 0.328 120.856 120.500 0.047 0.000 2.148 130 R HA 0.161 4.522 4.340 0.035 0.000 0.223 130 R C 2.106 178.458 176.300 0.086 0.000 1.088 130 R CA 0.616 56.745 56.100 0.049 0.000 0.985 130 R CB -0.066 30.246 30.300 0.020 0.000 0.880 130 R HN 0.292 nan 8.270 nan 0.000 0.451 131 I N 0.622 121.255 120.570 0.104 0.000 2.233 131 I HA -0.242 3.950 4.170 0.035 0.000 0.243 131 I C 2.676 178.972 176.117 0.298 0.000 1.093 131 I CA 1.063 62.480 61.300 0.197 0.000 1.380 131 I CB -0.181 37.919 38.000 0.167 0.000 1.067 131 I HN 0.063 nan 8.210 nan 0.000 0.413 132 Q N 1.543 121.455 119.800 0.187 0.000 2.050 132 Q HA -0.240 4.122 4.340 0.035 0.000 0.202 132 Q C 1.933 178.012 176.000 0.132 0.000 0.980 132 Q CA 1.891 57.785 55.803 0.151 0.000 0.840 132 Q CB -0.145 28.653 28.738 0.099 0.000 0.898 132 Q HN 0.431 nan 8.270 nan 0.000 0.424 133 E N -0.443 119.824 120.200 0.112 0.000 2.077 133 E HA -0.185 4.186 4.350 0.035 0.000 0.193 133 E C 1.869 178.535 176.600 0.110 0.000 0.989 133 E CA 1.181 57.635 56.400 0.089 0.000 0.800 133 E CB -0.191 29.549 29.700 0.067 0.000 0.746 133 E HN 0.310 nan 8.360 nan 0.000 0.452 134 L N 0.732 122.053 121.223 0.163 0.000 2.072 134 L HA -0.046 4.315 4.340 0.035 0.000 0.205 134 L C 2.169 179.166 176.870 0.212 0.000 1.079 134 L CA 1.811 56.766 54.840 0.192 0.000 0.752 134 L CB -0.645 41.552 42.059 0.231 0.000 0.906 134 L HN 0.040 nan 8.230 nan 0.000 0.436 135 A N -0.967 121.986 122.820 0.221 0.000 1.873 135 A HA -0.293 4.048 4.320 0.035 0.000 0.218 135 A C 2.397 180.031 177.584 0.084 0.000 1.193 135 A CA 2.198 54.236 52.037 0.003 0.000 0.629 135 A CB -1.562 17.340 19.000 -0.163 0.000 0.826 135 A HN 0.634 nan 8.150 nan 0.000 0.447 136 C N -1.322 118.014 119.300 0.060 0.000 2.446 136 C HA -0.037 4.444 4.460 0.035 0.000 0.277 136 C C 3.331 178.336 174.990 0.025 0.000 1.275 136 C CA 1.282 60.312 59.018 0.021 0.000 1.727 136 C CB -1.176 26.574 27.740 0.017 0.000 2.010 136 C HN 0.714 nan 8.230 nan 0.000 0.486 137 S N 0.404 116.135 115.700 0.053 0.000 2.356 137 S HA -0.095 4.396 4.470 0.035 0.000 0.223 137 S C 1.791 176.427 174.600 0.060 0.000 1.032 137 S CA 1.388 59.616 58.200 0.047 0.000 1.005 137 S CB -0.328 62.904 63.200 0.052 0.000 0.867 137 S HN 0.605 nan 8.310 nan 0.000 0.449 138 L N 0.661 121.946 121.223 0.104 0.000 2.046 138 L HA -0.067 4.295 4.340 0.035 0.000 0.208 138 L C 2.432 179.383 176.870 0.136 0.000 1.077 138 L CA 1.399 56.327 54.840 0.147 0.000 0.747 138 L CB -0.488 41.695 42.059 0.207 0.000 0.896 138 L HN 0.372 nan 8.230 nan 0.000 0.432 139 I N -0.545 120.074 120.570 0.083 0.000 2.353 139 I HA -0.230 3.961 4.170 0.035 0.000 0.248 139 I C 2.583 178.589 176.117 -0.184 0.000 1.119 139 I CA 0.834 62.048 61.300 -0.144 0.000 1.417 139 I CB -0.165 37.670 38.000 -0.275 0.000 1.078 139 I HN 0.235 nan 8.210 nan 0.000 0.421 140 E N 0.839 120.980 120.200 -0.099 0.000 2.110 140 E HA -0.226 4.145 4.350 0.035 0.000 0.193 140 E C 2.219 178.801 176.600 -0.029 0.000 0.988 140 E CA 1.707 58.059 56.400 -0.079 0.000 0.804 140 E CB -0.260 29.413 29.700 -0.046 0.000 0.745 140 E HN 0.228 nan 8.360 nan 0.000 0.458 141 S N -0.904 114.800 115.700 0.007 0.000 2.399 141 S HA -0.058 4.433 4.470 0.035 0.000 0.231 141 S C 1.801 176.438 174.600 0.062 0.000 1.022 141 S CA 1.123 59.345 58.200 0.036 0.000 0.983 141 S CB -0.221 63.010 63.200 0.051 0.000 0.803 141 S HN 0.366 nan 8.310 nan 0.000 0.480 142 L N 0.752 122.017 121.223 0.071 0.000 2.179 142 L HA 0.100 4.461 4.340 0.035 0.000 0.208 142 L C 2.726 179.752 176.870 0.259 0.000 1.096 142 L CA 0.793 55.735 54.840 0.170 0.000 0.779 142 L CB -0.495 41.694 42.059 0.218 0.000 0.922 142 L HN 0.287 nan 8.230 nan 0.000 0.443 143 R N 1.040 121.586 120.500 0.076 0.000 2.096 143 R HA -0.175 4.187 4.340 0.035 0.000 0.240 143 R C -0.596 175.901 176.300 0.327 0.000 1.139 143 R CA 1.990 58.141 56.100 0.086 0.000 0.952 143 R CB -1.144 29.076 30.300 -0.133 0.000 0.854 143 R HN 0.256 nan 8.270 nan 0.000 0.436 144 P HA -0.061 nan 4.420 nan 0.000 0.233 144 P C 0.490 177.834 177.300 0.074 0.000 1.167 144 P CA 1.061 64.232 63.100 0.119 0.000 0.770 144 P CB -0.022 31.712 31.700 0.057 0.000 0.837 145 Q N -0.500 119.343 119.800 0.072 0.000 2.224 145 Q HA 0.031 4.392 4.340 0.035 0.000 0.203 145 Q C 1.609 177.419 176.000 -0.317 0.000 0.970 145 Q CA 1.078 56.838 55.803 -0.072 0.000 0.865 145 Q CB -0.587 28.130 28.738 -0.035 0.000 0.922 145 Q HN 0.274 nan 8.270 nan 0.000 0.445 146 G N 1.389 109.809 108.800 -0.634 0.000 2.168 146 G HA2 -0.319 3.662 3.960 0.035 0.000 0.263 146 G HA3 -0.319 3.662 3.960 0.035 0.000 0.263 146 G C -0.054 173.887 174.900 -1.600 0.000 0.977 146 G CA 0.806 45.116 45.100 -1.317 0.000 0.659 146 G HN 0.473 nan 8.290 nan 0.000 0.533 147 Q N -1.720 117.185 119.800 -1.491 0.000 2.647 147 Q HA 0.624 4.985 4.340 0.035 0.000 0.283 147 Q C -0.379 175.427 176.000 -0.323 0.000 0.943 147 Q CA -0.751 54.542 55.803 -0.851 0.000 0.813 147 Q CB 1.465 29.979 28.738 -0.374 0.000 1.477 147 Q HN 1.425 nan 8.270 nan 0.000 0.393 148 C N -0.498 118.836 119.300 0.056 0.000 3.306 148 C HA 0.654 5.136 4.460 0.035 0.000 0.335 148 C C -1.519 173.602 174.990 0.218 0.000 1.382 148 C CA -0.861 58.298 59.018 0.235 0.000 1.254 148 C CB 1.480 29.515 27.740 0.493 0.000 1.555 148 C HN 0.894 nan 8.230 nan 0.000 0.463 149 N N 1.173 119.984 118.700 0.185 0.000 2.678 149 N HA 0.246 5.007 4.740 0.035 0.000 0.231 149 N C 0.151 175.778 175.510 0.195 0.000 1.038 149 N CA -0.320 52.825 53.050 0.158 0.000 0.932 149 N CB 0.808 39.351 38.487 0.094 0.000 1.176 149 N HN 0.768 nan 8.380 nan 0.000 0.511 150 F N 2.697 122.699 119.950 0.088 0.000 2.154 150 F HA -0.267 4.281 4.527 0.035 0.000 0.301 150 F C 2.507 178.344 175.800 0.061 0.000 1.087 150 F CA 1.831 59.870 58.000 0.064 0.000 1.274 150 F CB -0.115 38.845 39.000 -0.066 0.000 1.009 150 F HN 0.399 nan 8.300 nan 0.000 0.485 151 T N -1.427 113.164 114.554 0.062 0.000 2.708 151 T HA -0.277 4.094 4.350 0.035 0.000 0.266 151 T C 1.731 176.377 174.700 -0.090 0.000 1.037 151 T CA 1.551 63.626 62.100 -0.043 0.000 1.146 151 T CB -0.843 68.028 68.868 0.005 0.000 0.865 151 T HN 0.679 nan 8.240 nan 0.000 0.435 152 E N 0.781 120.961 120.200 -0.032 0.000 2.250 152 E HA -0.047 4.324 4.350 0.035 0.000 0.192 152 E C 1.279 177.863 176.600 -0.027 0.000 0.986 152 E CA 0.796 57.182 56.400 -0.024 0.000 0.849 152 E CB -0.106 29.599 29.700 0.008 0.000 0.797 152 E HN 0.382 nan 8.360 nan 0.000 0.482 153 D N -0.872 119.521 120.400 -0.013 0.000 2.333 153 D HA 0.015 4.676 4.640 0.035 0.000 0.208 153 D C 0.587 176.914 176.300 0.046 0.000 0.984 153 D CA 0.716 54.744 54.000 0.045 0.000 0.873 153 D CB 0.320 41.203 40.800 0.139 0.000 0.935 153 D HN 0.313 nan 8.370 nan 0.000 0.521 154 Y N -0.320 119.802 120.300 -0.297 0.000 3.032 154 Y HA 0.303 4.875 4.550 0.035 0.000 0.232 154 Y C 1.974 177.636 175.900 -0.397 0.000 1.099 154 Y CA 0.577 58.464 58.100 -0.355 0.000 1.328 154 Y CB -0.180 38.003 38.460 -0.461 0.000 1.432 154 Y HN -0.150 nan 8.280 nan 0.000 0.433 155 A N 0.982 123.470 122.820 -0.554 0.000 1.917 155 A HA -0.227 4.114 4.320 0.035 0.000 0.219 155 A C 1.768 179.281 177.584 -0.118 0.000 1.182 155 A CA 2.467 54.354 52.037 -0.251 0.000 0.633 155 A CB -0.621 18.255 19.000 -0.207 0.000 0.819 155 A HN 0.699 nan 8.150 nan 0.000 0.448 156 E N -0.819 119.297 120.200 -0.138 0.000 2.014 156 E HA -0.081 4.290 4.350 0.035 0.000 0.190 156 E C -0.556 175.986 176.600 -0.097 0.000 0.980 156 E CA 0.861 57.208 56.400 -0.089 0.000 0.807 156 E CB -0.626 29.036 29.700 -0.065 0.000 0.770 156 E HN 0.485 nan 8.360 nan 0.000 0.451 157 P HA -0.185 nan 4.420 nan 0.000 0.217 157 P C 1.332 178.565 177.300 -0.112 0.000 1.150 157 P CA 1.101 64.147 63.100 -0.091 0.000 0.832 157 P CB -0.068 31.589 31.700 -0.073 0.000 0.787 158 F N 2.919 122.628 119.950 -0.402 0.000 2.026 158 F HA -0.077 4.472 4.527 0.036 0.000 0.296 158 F C -0.906 174.790 175.800 -0.174 0.000 1.133 158 F CA 1.884 59.633 58.000 -0.418 0.000 1.188 158 F CB -1.991 36.457 39.000 -0.919 0.000 0.968 158 F HN -0.031 nan 8.300 nan 0.000 0.476 159 P HA -0.089 nan 4.420 nan 0.000 0.219 159 P C 2.118 179.312 177.300 -0.176 0.000 1.150 159 P CA 1.809 64.685 63.100 -0.374 0.000 0.814 159 P CB -0.122 31.497 31.700 -0.136 0.000 0.787 160 I N -0.628 119.879 120.570 -0.105 0.000 2.163 160 I HA -0.192 3.999 4.170 0.035 0.000 0.240 160 I C 2.616 178.744 176.117 0.019 0.000 1.081 160 I CA 1.392 62.684 61.300 -0.013 0.000 1.353 160 I CB -0.417 37.570 38.000 -0.022 0.000 1.054 160 I HN -0.167 nan 8.210 nan 0.000 0.407 161 R N 0.439 120.915 120.500 -0.040 0.000 2.096 161 R HA -0.146 4.215 4.340 0.035 0.000 0.235 161 R C 2.301 178.575 176.300 -0.044 0.000 1.127 161 R CA 1.344 57.429 56.100 -0.026 0.000 0.968 161 R CB -0.355 29.927 30.300 -0.030 0.000 0.861 161 R HN 0.272 nan 8.270 nan 0.000 0.440 162 I N -0.073 120.436 120.570 -0.101 0.000 2.179 162 I HA -0.300 3.892 4.170 0.035 0.000 0.242 162 I C 2.064 178.145 176.117 -0.060 0.000 1.088 162 I CA 1.321 62.553 61.300 -0.113 0.000 1.357 162 I CB -0.243 37.618 38.000 -0.230 0.000 1.051 162 I HN 0.060 nan 8.210 nan 0.000 0.409 163 F N 0.496 120.375 119.950 -0.119 0.000 2.126 163 F HA -0.294 4.255 4.527 0.037 0.000 0.299 163 F C 2.389 178.161 175.800 -0.047 0.000 1.096 163 F CA 1.665 59.619 58.000 -0.076 0.000 1.255 163 F CB -0.165 38.794 39.000 -0.070 0.000 0.997 163 F HN -0.029 nan 8.300 nan 0.000 0.479 164 M N -0.372 119.207 119.600 -0.036 0.000 2.175 164 M HA -0.129 4.372 4.480 0.035 0.000 0.264 164 M C 2.282 178.486 176.300 -0.160 0.000 1.063 164 M CA 1.179 56.428 55.300 -0.085 0.000 1.119 164 M CB -1.541 31.079 32.600 0.034 0.000 1.377 164 M HN 0.382 nan 8.290 nan 0.000 0.415 165 L N 1.110 122.256 121.223 -0.128 0.000 1.989 165 L HA -0.165 4.197 4.340 0.035 0.000 0.211 165 L C 2.342 179.113 176.870 -0.165 0.000 1.071 165 L CA 1.660 56.432 54.840 -0.113 0.000 0.749 165 L CB -1.016 40.996 42.059 -0.079 0.000 0.890 165 L HN 0.334 nan 8.230 nan 0.000 0.431 166 L N -0.580 120.504 121.223 -0.231 0.000 2.079 166 L HA -0.113 4.248 4.340 0.035 0.000 0.210 166 L C 2.145 178.828 176.870 -0.313 0.000 1.081 166 L CA 1.688 56.379 54.840 -0.249 0.000 0.752 166 L CB -0.461 41.447 42.059 -0.252 0.000 0.896 166 L HN 0.334 nan 8.230 nan 0.000 0.433 167 A N -0.476 122.050 122.820 -0.489 0.000 2.218 167 A HA 0.277 4.619 4.320 0.035 0.000 0.209 167 A C 1.561 179.027 177.584 -0.197 0.000 1.168 167 A CA 0.519 52.305 52.037 -0.418 0.000 0.804 167 A CB -0.616 17.970 19.000 -0.689 0.000 0.834 167 A HN 0.753 nan 8.150 nan 0.000 0.482 168 G N -0.349 108.355 108.800 -0.158 0.000 2.323 168 G HA2 -0.224 3.757 3.960 0.035 0.000 0.292 168 G HA3 -0.224 3.757 3.960 0.035 0.000 0.292 168 G C -0.093 174.785 174.900 -0.037 0.000 1.040 168 G CA 0.661 45.713 45.100 -0.081 0.000 0.942 168 G HN 0.484 nan 8.290 nan 0.000 0.506 169 L N 0.076 121.285 121.223 -0.022 0.000 2.331 169 L HA 0.533 4.894 4.340 0.035 0.000 0.275 169 L C -1.822 175.085 176.870 0.063 0.000 1.022 169 L CA -2.577 52.303 54.840 0.067 0.000 0.812 169 L CB 1.774 43.927 42.059 0.158 0.000 1.257 169 L HN -0.098 nan 8.230 nan 0.000 0.435 170 P HA 0.103 nan 4.420 nan 0.000 0.271 170 P C 0.006 177.348 177.300 0.070 0.000 1.216 170 P CA -0.197 62.942 63.100 0.066 0.000 0.771 170 P CB 0.720 32.463 31.700 0.071 0.000 0.864 171 E N 1.830 122.057 120.200 0.045 0.000 2.204 171 E HA -0.227 4.144 4.350 0.035 0.000 0.195 171 E C 1.489 178.116 176.600 0.045 0.000 0.990 171 E CA 1.082 57.507 56.400 0.040 0.000 0.821 171 E CB 0.061 29.776 29.700 0.025 0.000 0.750 171 E HN 0.675 nan 8.360 nan 0.000 0.477 172 E N 0.892 121.121 120.200 0.048 0.000 2.333 172 E HA -0.201 4.171 4.350 0.035 0.000 0.198 172 E C 0.792 177.432 176.600 0.067 0.000 1.007 172 E CA 1.031 57.460 56.400 0.049 0.000 0.845 172 E CB 0.016 29.740 29.700 0.041 0.000 0.766 172 E HN 0.124 nan 8.360 nan 0.000 0.507 173 D N 0.742 121.198 120.400 0.092 0.000 2.355 173 D HA 0.071 4.732 4.640 0.035 0.000 0.218 173 D C 1.753 178.092 176.300 0.066 0.000 1.004 173 D CA 0.201 54.270 54.000 0.116 0.000 0.880 173 D CB 0.013 40.930 40.800 0.195 0.000 0.911 173 D HN 0.311 nan 8.370 nan 0.000 0.528 174 I N 1.444 122.044 120.570 0.049 0.000 2.163 174 I HA -0.228 3.963 4.170 0.035 0.000 0.243 174 I C -0.596 175.537 176.117 0.027 0.000 1.085 174 I CA 1.301 62.616 61.300 0.025 0.000 1.347 174 I CB -1.195 36.819 38.000 0.023 0.000 1.044 174 I HN 0.015 nan 8.210 nan 0.000 0.408 175 P HA -0.205 nan 4.420 nan 0.000 0.215 175 P C 1.453 178.815 177.300 0.102 0.000 1.153 175 P CA 1.628 64.767 63.100 0.065 0.000 0.853 175 P CB -0.074 31.661 31.700 0.059 0.000 0.788 176 H N -0.433 118.642 119.070 0.008 0.000 2.326 176 H HA -0.031 4.547 4.556 0.036 0.000 0.301 176 H C 1.800 177.126 175.328 -0.002 0.000 1.081 176 H CA 1.497 57.554 56.048 0.015 0.000 1.334 176 H CB -1.016 28.743 29.762 -0.005 0.000 1.385 176 H HN -0.048 nan 8.280 nan 0.000 0.504 177 L N -0.153 120.963 121.223 -0.178 0.000 2.056 177 L HA -0.116 4.245 4.340 0.035 0.000 0.207 177 L C 2.544 179.299 176.870 -0.192 0.000 1.078 177 L CA 1.514 56.176 54.840 -0.297 0.000 0.749 177 L CB -0.378 41.509 42.059 -0.286 0.000 0.901 177 L HN 0.209 nan 8.230 nan 0.000 0.433 178 K N -0.050 120.291 120.400 -0.098 0.000 2.057 178 K HA -0.260 4.082 4.320 0.035 0.000 0.207 178 K C 2.143 178.699 176.600 -0.074 0.000 1.049 178 K CA 1.592 57.835 56.287 -0.074 0.000 0.931 178 K CB -0.606 31.877 32.500 -0.028 0.000 0.714 178 K HN 0.181 nan 8.250 nan 0.000 0.440 179 Y N 0.887 121.114 120.300 -0.122 0.000 2.097 179 Y HA -0.219 4.351 4.550 0.034 0.000 0.282 179 Y C 1.635 177.449 175.900 -0.144 0.000 1.152 179 Y CA 2.080 60.115 58.100 -0.109 0.000 1.136 179 Y CB -0.257 38.155 38.460 -0.081 0.000 0.975 179 Y HN 0.031 nan 8.280 nan 0.000 0.498 180 L N -0.445 120.641 121.223 -0.229 0.000 2.017 180 L HA -0.252 4.110 4.340 0.035 0.000 0.208 180 L C 2.697 179.390 176.870 -0.296 0.000 1.073 180 L CA 2.047 56.715 54.840 -0.287 0.000 0.745 180 L CB -1.365 40.525 42.059 -0.282 0.000 0.894 180 L HN 0.420 nan 8.230 nan 0.000 0.432 181 T N -3.315 111.096 114.554 -0.237 0.000 2.720 181 T HA -0.222 4.149 4.350 0.035 0.000 0.268 181 T C 1.484 176.072 174.700 -0.186 0.000 1.037 181 T CA 1.656 63.649 62.100 -0.178 0.000 1.144 181 T CB -0.455 68.328 68.868 -0.141 0.000 0.864 181 T HN 0.202 nan 8.240 nan 0.000 0.444 182 D N 1.079 121.342 120.400 -0.227 0.000 2.264 182 D HA -0.043 4.618 4.640 0.035 0.000 0.208 182 D C 2.389 178.537 176.300 -0.254 0.000 0.966 182 D CA 0.663 54.536 54.000 -0.212 0.000 0.864 182 D CB -0.277 40.393 40.800 -0.216 0.000 0.933 182 D HN 0.410 nan 8.370 nan 0.000 0.499 183 Q N -0.482 119.092 119.800 -0.375 0.000 2.297 183 Q HA 0.056 4.417 4.340 0.035 0.000 0.204 183 Q C 2.022 177.902 176.000 -0.200 0.000 0.962 183 Q CA 0.488 56.104 55.803 -0.312 0.000 0.879 183 Q CB -0.157 28.359 28.738 -0.369 0.000 0.947 183 Q HN 0.441 nan 8.270 nan 0.000 0.462 184 M N -0.230 119.237 119.600 -0.222 0.000 2.388 184 M HA -0.063 4.438 4.480 0.035 0.000 0.265 184 M C 1.763 178.099 176.300 0.061 0.000 1.088 184 M CA 1.602 56.787 55.300 -0.192 0.000 1.134 184 M CB 0.075 32.449 32.600 -0.377 0.000 1.384 184 M HN 0.252 nan 8.290 nan 0.000 0.447 185 T N -2.539 112.013 114.554 -0.003 0.000 3.038 185 T HA 0.179 4.550 4.350 0.035 0.000 0.244 185 T C 1.069 175.831 174.700 0.104 0.000 1.016 185 T CA -0.093 62.019 62.100 0.019 0.000 1.098 185 T CB 0.165 69.017 68.868 -0.027 0.000 0.954 185 T HN 0.233 nan 8.240 nan 0.000 0.469 186 R N 2.213 122.747 120.500 0.058 0.000 2.653 186 R HA 0.327 4.689 4.340 0.035 0.000 0.269 186 R C -2.982 173.321 176.300 0.005 0.000 1.603 186 R CA -1.619 54.539 56.100 0.097 0.000 1.671 186 R CB 1.242 31.582 30.300 0.068 0.000 1.300 186 R HN 0.353 nan 8.270 nan 0.000 0.668 187 P HA -0.035 nan 4.420 nan 0.000 0.265 187 P C -0.157 177.097 177.300 -0.075 0.000 1.193 187 P CA 0.173 63.213 63.100 -0.101 0.000 0.765 187 P CB 0.831 32.452 31.700 -0.132 0.000 0.823 188 D N 1.615 121.979 120.400 -0.059 0.000 2.355 188 D HA 0.030 4.691 4.640 0.035 0.000 0.218 188 D C 1.399 177.694 176.300 -0.008 0.000 1.004 188 D CA 0.761 54.756 54.000 -0.009 0.000 0.880 188 D CB -0.471 40.355 40.800 0.044 0.000 0.911 188 D HN 0.620 nan 8.370 nan 0.000 0.528 189 G N -0.150 108.633 108.800 -0.029 0.000 2.195 189 G HA2 -0.339 3.643 3.960 0.035 0.000 0.224 189 G HA3 -0.339 3.643 3.960 0.035 0.000 0.224 189 G C 1.218 176.119 174.900 0.002 0.000 0.990 189 G CA 0.700 45.785 45.100 -0.026 0.000 0.639 189 G HN 0.659 nan 8.290 nan 0.000 0.514 190 S N -0.649 115.071 115.700 0.033 0.000 2.461 190 S HA 0.500 4.991 4.470 0.035 0.000 0.228 190 S C 0.959 175.590 174.600 0.053 0.000 1.005 190 S CA 1.107 59.342 58.200 0.058 0.000 0.942 190 S CB 0.058 63.325 63.200 0.111 0.000 0.776 190 S HN 0.546 nan 8.310 nan 0.000 0.514 191 M N 2.068 121.688 119.600 0.033 0.000 2.446 191 M HA 0.347 4.848 4.480 0.035 0.000 0.294 191 M C -0.502 175.793 176.300 -0.007 0.000 1.158 191 M CA -0.622 54.689 55.300 0.018 0.000 0.899 191 M CB 2.576 35.187 32.600 0.017 0.000 1.687 191 M HN 0.195 nan 8.290 nan 0.000 0.455 192 T N -1.402 113.157 114.554 0.009 0.000 2.828 192 T HA 0.251 4.622 4.350 0.035 0.000 0.290 192 T C 0.755 175.487 174.700 0.053 0.000 1.019 192 T CA -0.428 61.692 62.100 0.033 0.000 1.031 192 T CB 0.844 69.742 68.868 0.050 0.000 1.001 192 T HN 0.602 nan 8.240 nan 0.000 0.531 193 F N 1.403 121.322 119.950 -0.052 0.000 2.126 193 F HA -0.005 4.518 4.527 -0.007 0.000 0.299 193 F C 2.594 178.366 175.800 -0.047 0.000 1.096 193 F CA 1.864 59.836 58.000 -0.045 0.000 1.255 193 F CB -0.846 38.144 39.000 -0.017 0.000 0.997 193 F HN 0.746 nan 8.300 nan 0.000 0.479 194 A N 0.081 123.051 122.820 0.251 0.000 1.908 194 A HA -0.240 4.101 4.320 0.035 0.000 0.218 194 A C 2.059 179.640 177.584 -0.005 0.000 1.181 194 A CA 2.033 54.147 52.037 0.129 0.000 0.627 194 A CB -0.930 18.147 19.000 0.129 0.000 0.818 194 A HN 0.578 nan 8.150 nan 0.000 0.445 195 E N -0.376 119.823 120.200 -0.003 0.000 2.077 195 E HA -0.089 4.283 4.350 0.035 0.000 0.193 195 E C 2.313 178.872 176.600 -0.068 0.000 0.989 195 E CA 0.986 57.377 56.400 -0.015 0.000 0.800 195 E CB -0.284 29.422 29.700 0.010 0.000 0.746 195 E HN 0.629 nan 8.360 nan 0.000 0.452 196 A N 1.605 124.340 122.820 -0.142 0.000 1.898 196 A HA -0.209 4.132 4.320 0.035 0.000 0.216 196 A C 2.070 179.489 177.584 -0.274 0.000 1.181 196 A CA 1.457 53.371 52.037 -0.205 0.000 0.620 196 A CB -0.331 18.492 19.000 -0.295 0.000 0.819 196 A HN 0.047 nan 8.150 nan 0.000 0.442 197 K N -0.532 119.626 120.400 -0.403 0.000 2.057 197 K HA -0.164 4.178 4.320 0.035 0.000 0.206 197 K C 1.752 178.081 176.600 -0.451 0.000 1.050 197 K CA 1.441 57.426 56.287 -0.503 0.000 0.935 197 K CB -0.131 32.013 32.500 -0.593 0.000 0.715 197 K HN 0.334 nan 8.250 nan 0.000 0.439 198 E N 0.439 120.511 120.200 -0.214 0.000 2.110 198 E HA -0.153 4.218 4.350 0.035 0.000 0.193 198 E C 1.871 178.504 176.600 0.055 0.000 0.988 198 E CA 1.097 57.485 56.400 -0.019 0.000 0.804 198 E CB -0.199 29.532 29.700 0.052 0.000 0.745 198 E HN 0.424 nan 8.360 nan 0.000 0.458 199 A N 0.961 123.789 122.820 0.014 0.000 1.902 199 A HA -0.148 4.193 4.320 0.035 0.000 0.217 199 A C 2.245 179.895 177.584 0.111 0.000 1.181 199 A CA 1.107 53.192 52.037 0.080 0.000 0.623 199 A CB -0.532 18.502 19.000 0.056 0.000 0.818 199 A HN 0.233 nan 8.150 nan 0.000 0.443 200 L N -1.530 119.698 121.223 0.009 0.000 2.056 200 L HA -0.111 4.250 4.340 0.035 0.000 0.207 200 L C 2.288 179.321 176.870 0.272 0.000 1.078 200 L CA 1.700 56.580 54.840 0.066 0.000 0.749 200 L CB -0.718 41.318 42.059 -0.038 0.000 0.901 200 L HN 0.467 nan 8.230 nan 0.000 0.433 201 Y N -0.393 119.985 120.300 0.131 0.000 2.224 201 Y HA -0.249 4.326 4.550 0.042 0.000 0.289 201 Y C 2.560 178.532 175.900 0.121 0.000 1.146 201 Y CA 1.260 59.432 58.100 0.119 0.000 1.182 201 Y CB -1.095 37.424 38.460 0.097 0.000 0.983 201 Y HN 0.382 nan 8.280 nan 0.000 0.524 202 D N -1.195 119.382 120.400 0.295 0.000 2.178 202 D HA -0.241 4.421 4.640 0.035 0.000 0.201 202 D C 2.136 178.564 176.300 0.214 0.000 0.980 202 D CA 0.998 55.123 54.000 0.209 0.000 0.842 202 D CB -0.346 40.565 40.800 0.185 0.000 0.948 202 D HN 0.354 nan 8.370 nan 0.000 0.472 203 Y N 0.369 120.758 120.300 0.148 0.000 2.163 203 Y HA -0.023 4.548 4.550 0.034 0.000 0.288 203 Y C 1.907 177.870 175.900 0.105 0.000 1.136 203 Y CA 1.415 59.596 58.100 0.135 0.000 1.147 203 Y CB -0.156 38.404 38.460 0.168 0.000 0.987 203 Y HN -0.013 nan 8.280 nan 0.000 0.509 204 L N -0.563 120.804 121.223 0.240 0.000 2.131 204 L HA -0.146 4.216 4.340 0.035 0.000 0.206 204 L C 2.359 179.236 176.870 0.013 0.000 1.087 204 L CA 0.833 55.745 54.840 0.120 0.000 0.767 204 L CB -0.472 41.714 42.059 0.211 0.000 0.917 204 L HN 0.268 nan 8.230 nan 0.000 0.441 205 I N 0.489 121.078 120.570 0.033 0.000 2.087 205 I HA -0.271 3.921 4.170 0.035 0.000 0.240 205 I C -0.236 175.861 176.117 -0.033 0.000 1.054 205 I CA 1.879 63.176 61.300 -0.006 0.000 1.311 205 I CB -1.366 36.641 38.000 0.011 0.000 1.024 205 I HN 0.251 nan 8.210 nan 0.000 0.402 206 P HA -0.123 nan 4.420 nan 0.000 0.219 206 P C 1.859 179.112 177.300 -0.078 0.000 1.150 206 P CA 1.647 64.710 63.100 -0.062 0.000 0.814 206 P CB -0.101 31.555 31.700 -0.073 0.000 0.787 207 I N -0.593 119.909 120.570 -0.113 0.000 2.252 207 I HA -0.187 4.004 4.170 0.035 0.000 0.245 207 I C 2.557 178.638 176.117 -0.060 0.000 1.102 207 I CA 1.061 62.296 61.300 -0.108 0.000 1.385 207 I CB -0.559 37.343 38.000 -0.163 0.000 1.064 207 I HN -0.167 nan 8.210 nan 0.000 0.414 208 I N 0.711 121.254 120.570 -0.045 0.000 2.163 208 I HA -0.283 3.908 4.170 0.035 0.000 0.243 208 I C 2.635 178.733 176.117 -0.031 0.000 1.085 208 I CA 1.652 62.934 61.300 -0.031 0.000 1.347 208 I CB -0.945 37.038 38.000 -0.029 0.000 1.044 208 I HN 0.292 nan 8.210 nan 0.000 0.408 209 E N 1.194 121.374 120.200 -0.034 0.000 2.085 209 E HA -0.282 4.089 4.350 0.035 0.000 0.194 209 E C 2.166 178.748 176.600 -0.029 0.000 0.994 209 E CA 1.658 58.040 56.400 -0.029 0.000 0.801 209 E CB -0.349 29.334 29.700 -0.028 0.000 0.743 209 E HN 0.442 nan 8.360 nan 0.000 0.453 210 Q N -0.176 119.603 119.800 -0.035 0.000 2.096 210 Q HA -0.160 4.202 4.340 0.035 0.000 0.204 210 Q C 2.061 178.044 176.000 -0.029 0.000 0.982 210 Q CA 1.658 57.441 55.803 -0.034 0.000 0.850 210 Q CB -0.020 28.692 28.738 -0.042 0.000 0.901 210 Q HN 0.196 nan 8.270 nan 0.000 0.422 211 R N -0.673 119.808 120.500 -0.030 0.000 2.275 211 R HA 0.045 4.406 4.340 0.035 0.000 0.199 211 R C 2.152 178.440 176.300 -0.021 0.000 0.989 211 R CA 0.425 56.510 56.100 -0.026 0.000 1.016 211 R CB 0.128 30.411 30.300 -0.027 0.000 0.918 211 R HN 0.174 nan 8.270 nan 0.000 0.473 212 R N 0.052 120.540 120.500 -0.020 0.000 2.119 212 R HA -0.021 4.341 4.340 0.035 0.000 0.222 212 R C 2.056 178.346 176.300 -0.016 0.000 1.088 212 R CA 0.784 56.874 56.100 -0.016 0.000 0.984 212 R CB 0.133 30.424 30.300 -0.016 0.000 0.884 212 R HN 0.117 nan 8.270 nan 0.000 0.447 213 Q N 0.450 120.239 119.800 -0.017 0.000 2.083 213 Q HA -0.032 4.329 4.340 0.035 0.000 0.198 213 Q C 0.555 176.545 176.000 -0.016 0.000 0.969 213 Q CA 1.172 56.966 55.803 -0.016 0.000 0.838 213 Q CB 0.251 28.979 28.738 -0.017 0.000 0.900 213 Q HN 0.068 nan 8.270 nan 0.000 0.436 214 K N 1.003 121.393 120.400 -0.018 0.000 2.687 214 K HA 0.297 4.639 4.320 0.035 0.000 0.197 214 K C -2.681 173.908 176.600 -0.019 0.000 1.049 214 K CA -1.812 54.464 56.287 -0.017 0.000 1.030 214 K CB 1.258 33.747 32.500 -0.018 0.000 1.261 214 K HN -0.158 nan 8.250 nan 0.000 0.565 215 P HA 0.030 nan 4.420 nan 0.000 0.265 215 P C -0.087 177.201 177.300 -0.019 0.000 1.193 215 P CA 0.044 63.133 63.100 -0.018 0.000 0.765 215 P CB 1.210 32.900 31.700 -0.016 0.000 0.823 216 G N 0.841 109.628 108.800 -0.022 0.000 2.828 216 G HA2 0.449 4.430 3.960 0.035 0.000 0.244 216 G HA3 0.449 4.430 3.960 0.035 0.000 0.244 216 G C 0.381 175.267 174.900 -0.025 0.000 1.365 216 G CA -0.264 44.821 45.100 -0.024 0.000 1.041 216 G HN 0.424 nan 8.290 nan 0.000 0.560 217 T N -1.626 112.911 114.554 -0.028 0.000 3.092 217 T HA 0.193 4.564 4.350 0.035 0.000 0.258 217 T C 0.426 175.103 174.700 -0.038 0.000 1.031 217 T CA 0.216 62.298 62.100 -0.029 0.000 0.925 217 T CB -0.311 68.541 68.868 -0.026 0.000 1.036 217 T HN 0.591 nan 8.240 nan 0.000 0.544 218 D N 0.958 121.330 120.400 -0.046 0.000 2.377 218 D HA 0.344 5.005 4.640 0.035 0.000 0.245 218 D C 1.441 177.701 176.300 -0.065 0.000 1.196 218 D CA -0.188 53.772 54.000 -0.067 0.000 0.962 218 D CB 1.481 42.237 40.800 -0.073 0.000 1.127 218 D HN 0.090 nan 8.370 nan 0.000 0.471 219 A N 1.249 124.013 122.820 -0.093 0.000 1.940 219 A HA -0.166 4.176 4.320 0.035 0.000 0.219 219 A C 2.343 179.903 177.584 -0.040 0.000 1.176 219 A CA 1.163 53.158 52.037 -0.070 0.000 0.631 219 A CB -0.779 18.157 19.000 -0.106 0.000 0.814 219 A HN 0.669 nan 8.150 nan 0.000 0.446 220 I N -0.479 120.064 120.570 -0.045 0.000 2.252 220 I HA -0.204 3.987 4.170 0.035 0.000 0.245 220 I C 2.672 178.780 176.117 -0.016 0.000 1.102 220 I CA 1.337 62.628 61.300 -0.016 0.000 1.385 220 I CB -0.305 37.691 38.000 -0.006 0.000 1.064 220 I HN 0.222 nan 8.210 nan 0.000 0.414 221 S N 0.884 116.569 115.700 -0.025 0.000 2.370 221 S HA -0.134 4.358 4.470 0.035 0.000 0.226 221 S C 2.010 176.601 174.600 -0.015 0.000 1.033 221 S CA 1.152 59.339 58.200 -0.021 0.000 1.011 221 S CB -0.190 62.995 63.200 -0.025 0.000 0.852 221 S HN 0.258 nan 8.310 nan 0.000 0.457 222 I N 1.326 121.886 120.570 -0.016 0.000 2.179 222 I HA -0.093 4.099 4.170 0.035 0.000 0.242 222 I C 2.346 178.464 176.117 0.001 0.000 1.088 222 I CA 0.993 62.288 61.300 -0.009 0.000 1.357 222 I CB -1.638 36.355 38.000 -0.012 0.000 1.051 222 I HN 0.146 nan 8.210 nan 0.000 0.409 223 V N 1.457 121.375 119.914 0.006 0.000 2.295 223 V HA -0.253 3.888 4.120 0.035 0.000 0.246 223 V C 2.792 178.896 176.094 0.018 0.000 1.049 223 V CA 1.923 64.235 62.300 0.020 0.000 1.024 223 V CB -1.174 30.663 31.823 0.023 0.000 0.648 223 V HN 0.472 nan 8.190 nan 0.000 0.447 224 A N -0.006 122.817 122.820 0.005 0.000 2.015 224 A HA -0.173 4.168 4.320 0.035 0.000 0.219 224 A C 1.767 179.351 177.584 0.001 0.000 1.163 224 A CA 1.974 54.012 52.037 0.001 0.000 0.646 224 A CB -0.617 18.378 19.000 -0.009 0.000 0.806 224 A HN 0.691 nan 8.150 nan 0.000 0.448 225 N N -0.735 117.964 118.700 -0.001 0.000 2.214 225 N HA 0.288 5.049 4.740 0.035 0.000 0.214 225 N C 0.653 176.162 175.510 -0.002 0.000 1.132 225 N CA 0.274 53.322 53.050 -0.004 0.000 0.856 225 N CB 0.634 39.116 38.487 -0.008 0.000 1.020 225 N HN 0.412 nan 8.380 nan 0.000 0.509 226 G N -0.092 108.711 108.800 0.006 0.000 2.562 226 G HA2 0.303 4.284 3.960 0.035 0.000 0.275 226 G HA3 0.303 4.284 3.960 0.035 0.000 0.275 226 G C -0.463 174.435 174.900 -0.002 0.000 1.196 226 G CA -0.350 44.753 45.100 0.005 0.000 0.908 226 G HN 0.102 nan 8.290 nan 0.000 0.524 227 Q N -1.170 118.620 119.800 -0.017 0.000 2.306 227 Q HA 0.527 4.889 4.340 0.035 0.000 0.265 227 Q C -1.115 174.844 176.000 -0.068 0.000 1.022 227 Q CA -0.776 55.005 55.803 -0.036 0.000 0.853 227 Q CB 2.853 31.568 28.738 -0.038 0.000 1.327 227 Q HN 0.255 nan 8.270 nan 0.000 0.449 228 V N 2.417 122.263 119.914 -0.114 0.000 2.376 228 V HA 0.177 4.318 4.120 0.035 0.000 0.287 228 V C -0.050 175.919 176.094 -0.208 0.000 1.015 228 V CA -0.689 61.472 62.300 -0.231 0.000 0.834 228 V CB 0.843 32.431 31.823 -0.393 0.000 1.001 228 V HN 0.920 nan 8.190 nan 0.000 0.428 229 N N 4.072 122.665 118.700 -0.179 0.000 2.707 229 N HA -0.259 4.503 4.740 0.035 0.000 0.253 229 N C 1.169 176.622 175.510 -0.095 0.000 0.998 229 N CA 0.521 53.493 53.050 -0.131 0.000 0.751 229 N CB -0.541 37.859 38.487 -0.145 0.000 0.920 229 N HN 1.368 nan 8.380 nan 0.000 0.539 230 G N -0.560 108.193 108.800 -0.079 0.000 2.159 230 G HA2 -0.354 3.627 3.960 0.035 0.000 0.256 230 G HA3 -0.354 3.627 3.960 0.035 0.000 0.256 230 G C 0.085 174.955 174.900 -0.050 0.000 0.977 230 G CA 0.874 45.940 45.100 -0.056 0.000 0.652 230 G HN 0.740 nan 8.290 nan 0.000 0.531 231 R N -0.462 120.002 120.500 -0.061 0.000 2.803 231 R HA 0.795 5.156 4.340 0.035 0.000 0.276 231 R C -3.008 173.269 176.300 -0.038 0.000 0.978 231 R CA -2.612 53.461 56.100 -0.045 0.000 0.939 231 R CB 0.718 30.992 30.300 -0.042 0.000 1.179 231 R HN 0.066 nan 8.270 nan 0.000 0.472 232 P HA 0.051 nan 4.420 nan 0.000 0.268 232 P C -0.211 177.091 177.300 0.004 0.000 1.204 232 P CA -0.198 62.896 63.100 -0.010 0.000 0.768 232 P CB 0.619 32.315 31.700 -0.006 0.000 0.842 233 I N 2.570 123.151 120.570 0.019 0.000 2.754 233 I HA 0.030 4.221 4.170 0.035 0.000 0.285 233 I C 1.020 177.163 176.117 0.044 0.000 1.166 233 I CA 0.149 61.484 61.300 0.059 0.000 1.417 233 I CB 0.805 38.854 38.000 0.082 0.000 1.382 233 I HN 0.429 nan 8.210 nan 0.000 0.588 234 T N 2.330 116.918 114.554 0.056 0.000 2.849 234 T HA 0.166 4.538 4.350 0.035 0.000 0.284 234 T C 1.067 175.770 174.700 0.005 0.000 1.004 234 T CA -0.440 61.676 62.100 0.025 0.000 1.021 234 T CB 1.507 70.390 68.868 0.024 0.000 1.013 234 T HN 0.657 nan 8.240 nan 0.000 0.527 235 S N 0.369 116.061 115.700 -0.013 0.000 2.382 235 S HA -0.125 4.366 4.470 0.035 0.000 0.228 235 S C 1.682 176.246 174.600 -0.061 0.000 1.027 235 S CA 1.634 59.815 58.200 -0.032 0.000 0.991 235 S CB -0.652 62.528 63.200 -0.032 0.000 0.823 235 S HN 0.975 nan 8.310 nan 0.000 0.469 236 D N 0.868 121.230 120.400 -0.063 0.000 2.117 236 D HA -0.112 4.549 4.640 0.035 0.000 0.198 236 D C 1.898 178.127 176.300 -0.118 0.000 0.982 236 D CA 1.228 55.164 54.000 -0.106 0.000 0.828 236 D CB -0.105 40.650 40.800 -0.074 0.000 0.967 236 D HN 0.420 nan 8.370 nan 0.000 0.464 237 E N -0.178 119.986 120.200 -0.060 0.000 2.077 237 E HA -0.138 4.233 4.350 0.035 0.000 0.193 237 E C 2.147 178.705 176.600 -0.071 0.000 0.989 237 E CA 0.957 57.317 56.400 -0.068 0.000 0.800 237 E CB -0.176 29.559 29.700 0.058 0.000 0.746 237 E HN 0.389 nan 8.360 nan 0.000 0.452 238 A N 1.688 124.487 122.820 -0.034 0.000 1.902 238 A HA -0.257 4.084 4.320 0.035 0.000 0.217 238 A C 2.064 179.606 177.584 -0.070 0.000 1.181 238 A CA 1.688 53.708 52.037 -0.029 0.000 0.623 238 A CB -0.420 18.571 19.000 -0.014 0.000 0.818 238 A HN 0.080 nan 8.150 nan 0.000 0.443 239 K N -0.359 119.967 120.400 -0.123 0.000 2.032 239 K HA -0.179 4.162 4.320 0.035 0.000 0.209 239 K C 2.221 178.705 176.600 -0.192 0.000 1.048 239 K CA 1.616 57.789 56.287 -0.191 0.000 0.927 239 K CB -0.185 32.102 32.500 -0.355 0.000 0.712 239 K HN 0.447 nan 8.250 nan 0.000 0.441 240 R N 0.038 120.417 120.500 -0.200 0.000 2.115 240 R HA -0.066 4.295 4.340 0.035 0.000 0.230 240 R C 2.368 178.603 176.300 -0.108 0.000 1.111 240 R CA 1.532 57.607 56.100 -0.041 0.000 0.976 240 R CB -0.182 30.086 30.300 -0.053 0.000 0.870 240 R HN 0.332 nan 8.270 nan 0.000 0.445 241 M N -0.272 119.249 119.600 -0.131 0.000 2.193 241 M HA -0.135 4.366 4.480 0.035 0.000 0.265 241 M C 1.853 178.070 176.300 -0.140 0.000 1.071 241 M CA 1.535 56.762 55.300 -0.123 0.000 1.140 241 M CB 0.039 32.609 32.600 -0.050 0.000 1.369 241 M HN 0.197 nan 8.290 nan 0.000 0.423 242 C N 0.700 119.946 119.300 -0.089 0.000 2.422 242 C HA -0.029 4.452 4.460 0.035 0.000 0.279 242 C C 2.753 177.674 174.990 -0.114 0.000 1.305 242 C CA 0.874 59.870 59.018 -0.036 0.000 1.757 242 C CB -1.936 25.822 27.740 0.029 0.000 1.962 242 C HN 0.823 nan 8.230 nan 0.000 0.499 243 G N 0.594 109.248 108.800 -0.242 0.000 2.446 243 G HA2 -0.247 3.735 3.960 0.035 0.000 0.217 243 G HA3 -0.247 3.735 3.960 0.035 0.000 0.217 243 G C 1.511 175.770 174.900 -1.068 0.000 1.168 243 G CA 1.139 45.905 45.100 -0.556 0.000 0.771 243 G HN 0.469 nan 8.290 nan 0.000 0.551 244 L N 0.542 120.991 121.223 -1.289 0.000 2.046 244 L HA 0.061 4.423 4.340 0.035 0.000 0.208 244 L C 2.733 179.458 176.870 -0.240 0.000 1.077 244 L CA 1.384 55.831 54.840 -0.655 0.000 0.747 244 L CB -0.458 41.440 42.059 -0.268 0.000 0.896 244 L HN 0.232 nan 8.230 nan 0.000 0.432 245 L N -1.361 119.764 121.223 -0.164 0.000 2.046 245 L HA -0.257 4.105 4.340 0.035 0.000 0.208 245 L C 2.570 179.284 176.870 -0.260 0.000 1.077 245 L CA 1.319 56.142 54.840 -0.028 0.000 0.747 245 L CB -0.609 41.560 42.059 0.183 0.000 0.896 245 L HN 0.322 nan 8.230 nan 0.000 0.432 246 L N -0.847 120.247 121.223 -0.214 0.000 2.012 246 L HA -0.227 4.134 4.340 0.035 0.000 0.210 246 L C 2.522 179.144 176.870 -0.413 0.000 1.073 246 L CA 1.092 55.704 54.840 -0.380 0.000 0.748 246 L CB -0.428 41.563 42.059 -0.113 0.000 0.891 246 L HN 0.068 nan 8.230 nan 0.000 0.431 247 V N -0.171 119.618 119.914 -0.209 0.000 2.343 247 V HA -0.211 3.930 4.120 0.035 0.000 0.247 247 V C 2.604 178.616 176.094 -0.136 0.000 1.051 247 V CA 1.939 64.185 62.300 -0.090 0.000 1.036 247 V CB -1.339 30.571 31.823 0.145 0.000 0.654 247 V HN 0.586 nan 8.190 nan 0.000 0.451 248 G N 0.179 108.889 108.800 -0.149 0.000 2.440 248 G HA2 -0.178 3.803 3.960 0.035 0.000 0.218 248 G HA3 -0.178 3.803 3.960 0.035 0.000 0.218 248 G C 1.600 176.350 174.900 -0.251 0.000 1.154 248 G CA 1.007 46.031 45.100 -0.127 0.000 0.767 248 G HN 0.595 nan 8.290 nan 0.000 0.552 249 G N 0.053 108.485 108.800 -0.614 0.000 2.421 249 G HA2 0.060 4.041 3.960 0.035 0.000 0.217 249 G HA3 0.060 4.041 3.960 0.035 0.000 0.217 249 G C 1.509 176.158 174.900 -0.417 0.000 1.143 249 G CA 0.589 45.236 45.100 -0.756 0.000 0.784 249 G HN 0.344 nan 8.290 nan 0.000 0.541 250 L N -0.574 120.419 121.223 -0.383 0.000 2.556 250 L HA 0.373 4.734 4.340 0.035 0.000 0.226 250 L C 0.676 177.474 176.870 -0.120 0.000 1.089 250 L CA 0.711 55.425 54.840 -0.209 0.000 0.864 250 L CB 0.709 42.647 42.059 -0.202 0.000 1.067 250 L HN 0.068 nan 8.230 nan 0.000 0.477 251 D N -2.131 118.210 120.400 -0.099 0.000 2.837 251 D HA 0.121 4.782 4.640 0.035 0.000 0.340 251 D C 1.019 177.318 176.300 -0.002 0.000 1.451 251 D CA 0.790 54.764 54.000 -0.044 0.000 0.798 251 D CB 0.507 41.280 40.800 -0.046 0.000 1.169 251 D HN 0.233 nan 8.370 nan 0.000 0.449 252 T N -4.300 110.262 114.554 0.013 0.000 3.463 252 T HA 0.079 4.450 4.350 0.035 0.000 0.203 252 T C 1.811 176.587 174.700 0.127 0.000 0.955 252 T CA 0.524 62.661 62.100 0.062 0.000 1.230 252 T CB -0.560 68.341 68.868 0.055 0.000 1.392 252 T HN -0.172 nan 8.240 nan 0.000 0.361 253 V N 2.467 122.460 119.914 0.131 0.000 2.380 253 V HA -0.166 3.975 4.120 0.035 0.000 0.251 253 V C 2.940 179.161 176.094 0.211 0.000 1.063 253 V CA 1.706 64.136 62.300 0.217 0.000 1.055 253 V CB -1.072 30.858 31.823 0.178 0.000 0.657 253 V HN 0.457 nan 8.190 nan 0.000 0.455 254 V N 0.878 120.857 119.914 0.108 0.000 2.278 254 V HA -0.332 3.809 4.120 0.035 0.000 0.251 254 V C 2.299 178.431 176.094 0.065 0.000 1.062 254 V CA 2.538 64.877 62.300 0.065 0.000 1.038 254 V CB -0.775 31.049 31.823 0.001 0.000 0.646 254 V HN 0.641 nan 8.190 nan 0.000 0.447 255 N N -0.888 117.855 118.700 0.073 0.000 2.207 255 N HA -0.087 4.674 4.740 0.035 0.000 0.182 255 N C 1.783 177.337 175.510 0.074 0.000 1.020 255 N CA 1.392 54.445 53.050 0.004 0.000 0.858 255 N CB -0.399 38.132 38.487 0.073 0.000 0.991 255 N HN 0.529 nan 8.380 nan 0.000 0.427 256 F N 2.385 122.423 119.950 0.147 0.000 2.126 256 F HA -0.094 4.454 4.527 0.034 0.000 0.299 256 F C 2.142 178.043 175.800 0.167 0.000 1.096 256 F CA 1.056 59.195 58.000 0.231 0.000 1.255 256 F CB -0.201 38.888 39.000 0.147 0.000 0.997 256 F HN -0.084 nan 8.300 nan 0.000 0.479 257 L N -0.703 120.605 121.223 0.142 0.000 2.079 257 L HA -0.270 4.091 4.340 0.035 0.000 0.210 257 L C 2.487 179.367 176.870 0.018 0.000 1.081 257 L CA 1.493 56.407 54.840 0.124 0.000 0.752 257 L CB -0.866 41.426 42.059 0.387 0.000 0.896 257 L HN 0.105 nan 8.230 nan 0.000 0.433 258 S N -0.731 114.966 115.700 -0.005 0.000 2.387 258 S HA -0.068 4.424 4.470 0.035 0.000 0.226 258 S C 1.747 176.115 174.600 -0.387 0.000 1.026 258 S CA 0.898 59.029 58.200 -0.115 0.000 0.972 258 S CB -0.250 62.873 63.200 -0.128 0.000 0.814 258 S HN 0.205 nan 8.310 nan 0.000 0.477 259 F N 2.316 122.032 119.950 -0.390 0.000 2.095 259 F HA -0.116 4.431 4.527 0.033 0.000 0.298 259 F C 2.781 178.048 175.800 -0.889 0.000 1.104 259 F CA 0.993 58.609 58.000 -0.639 0.000 1.232 259 F CB -1.013 37.598 39.000 -0.648 0.000 0.987 259 F HN 0.102 nan 8.300 nan 0.000 0.475 260 S N -0.421 114.897 115.700 -0.636 0.000 2.356 260 S HA -0.171 4.320 4.470 0.035 0.000 0.223 260 S C 2.105 176.520 174.600 -0.309 0.000 1.032 260 S CA 1.193 59.089 58.200 -0.506 0.000 1.005 260 S CB -0.241 62.678 63.200 -0.470 0.000 0.867 260 S HN 0.195 nan 8.310 nan 0.000 0.449 261 M N 1.189 120.524 119.600 -0.441 0.000 2.254 261 M HA -0.001 4.501 4.480 0.035 0.000 0.265 261 M C 2.191 178.282 176.300 -0.348 0.000 1.066 261 M CA 1.066 56.030 55.300 -0.560 0.000 1.123 261 M CB -1.155 30.653 32.600 -1.321 0.000 1.388 261 M HN 0.441 nan 8.290 nan 0.000 0.425 262 E N 0.053 120.067 120.200 -0.309 0.000 2.051 262 E HA -0.240 4.131 4.350 0.035 0.000 0.192 262 E C 2.014 178.545 176.600 -0.115 0.000 0.991 262 E CA 1.297 57.599 56.400 -0.163 0.000 0.799 262 E CB -0.226 29.418 29.700 -0.092 0.000 0.748 262 E HN 0.409 nan 8.360 nan 0.000 0.449 263 F N 1.227 121.000 119.950 -0.295 0.000 2.102 263 F HA -0.173 4.375 4.527 0.035 0.000 0.298 263 F C 2.001 177.720 175.800 -0.135 0.000 1.105 263 F CA 1.347 59.230 58.000 -0.195 0.000 1.239 263 F CB -0.108 38.753 39.000 -0.232 0.000 0.991 263 F HN -0.004 nan 8.300 nan 0.000 0.474 264 L N 0.111 121.194 121.223 -0.234 0.000 2.093 264 L HA -0.178 4.183 4.340 0.035 0.000 0.208 264 L C 2.850 179.433 176.870 -0.479 0.000 1.085 264 L CA 1.048 55.707 54.840 -0.302 0.000 0.755 264 L CB -1.175 40.886 42.059 0.003 0.000 0.904 264 L HN 0.280 nan 8.230 nan 0.000 0.435 265 A N 0.138 122.762 122.820 -0.327 0.000 1.978 265 A HA -0.216 4.125 4.320 0.035 0.000 0.220 265 A C 2.222 179.612 177.584 -0.323 0.000 1.170 265 A CA 1.646 53.461 52.037 -0.370 0.000 0.636 265 A CB -0.300 18.698 19.000 -0.003 0.000 0.810 265 A HN 0.360 nan 8.150 nan 0.000 0.448 266 K N -0.034 120.181 120.400 -0.309 0.000 2.426 266 K HA 0.094 4.435 4.320 0.035 0.000 0.193 266 K C -0.372 176.033 176.600 -0.325 0.000 1.028 266 K CA 0.557 56.689 56.287 -0.258 0.000 1.047 266 K CB 0.291 32.684 32.500 -0.179 0.000 0.821 266 K HN 0.362 nan 8.250 nan 0.000 0.513 267 S N 1.543 116.964 115.700 -0.466 0.000 2.395 267 S HA 0.213 4.704 4.470 0.035 0.000 0.207 267 S C -2.373 172.076 174.600 -0.252 0.000 1.454 267 S CA -1.129 56.844 58.200 -0.378 0.000 1.211 267 S CB 1.467 64.322 63.200 -0.575 0.000 1.093 267 S HN -0.084 nan 8.310 nan 0.000 0.472 268 P HA -0.139 nan 4.420 nan 0.000 0.216 268 P C 1.093 178.339 177.300 -0.090 0.000 1.150 268 P CA 1.250 64.258 63.100 -0.153 0.000 0.843 268 P CB 0.228 31.856 31.700 -0.120 0.000 0.787 269 E N -1.615 118.538 120.200 -0.078 0.000 2.077 269 E HA -0.195 4.177 4.350 0.035 0.000 0.193 269 E C 1.953 178.490 176.600 -0.105 0.000 0.989 269 E CA 1.308 57.649 56.400 -0.099 0.000 0.800 269 E CB -0.922 28.691 29.700 -0.145 0.000 0.746 269 E HN 0.469 nan 8.360 nan 0.000 0.452 270 H N -0.304 118.725 119.070 -0.068 0.000 2.395 270 H HA 0.108 4.686 4.556 0.036 0.000 0.299 270 H C 1.935 177.380 175.328 0.196 0.000 1.070 270 H CA 1.257 57.347 56.048 0.070 0.000 1.356 270 H CB 0.136 29.919 29.762 0.034 0.000 1.401 270 H HN -0.004 nan 8.280 nan 0.000 0.524 271 R N 0.188 120.776 120.500 0.146 0.000 2.091 271 R HA -0.206 4.155 4.340 0.035 0.000 0.238 271 R C 2.215 178.571 176.300 0.094 0.000 1.136 271 R CA 1.616 57.770 56.100 0.090 0.000 0.959 271 R CB -0.199 30.061 30.300 -0.067 0.000 0.856 271 R HN 0.284 nan 8.270 nan 0.000 0.437 272 Q N 1.183 121.012 119.800 0.049 0.000 2.124 272 Q HA -0.155 4.206 4.340 0.035 0.000 0.202 272 Q C 1.567 177.606 176.000 0.065 0.000 0.977 272 Q CA 1.639 57.464 55.803 0.036 0.000 0.850 272 Q CB 0.064 28.802 28.738 0.001 0.000 0.901 272 Q HN 0.368 nan 8.270 nan 0.000 0.429 273 E N -0.467 119.794 120.200 0.102 0.000 2.085 273 E HA -0.177 4.195 4.350 0.035 0.000 0.194 273 E C 1.847 178.532 176.600 0.141 0.000 0.994 273 E CA 1.354 57.836 56.400 0.138 0.000 0.801 273 E CB -0.122 29.714 29.700 0.227 0.000 0.743 273 E HN 0.387 nan 8.360 nan 0.000 0.453 274 L N 0.351 121.669 121.223 0.159 0.000 2.270 274 L HA -0.046 4.316 4.340 0.035 0.000 0.210 274 L C 2.349 179.260 176.870 0.068 0.000 1.104 274 L CA 0.394 55.287 54.840 0.089 0.000 0.804 274 L CB -0.217 41.886 42.059 0.074 0.000 0.937 274 L HN 0.138 nan 8.230 nan 0.000 0.450 275 I N 0.076 120.691 120.570 0.074 0.000 2.226 275 I HA -0.262 3.929 4.170 0.035 0.000 0.245 275 I C 2.356 178.497 176.117 0.041 0.000 1.100 275 I CA 1.468 62.801 61.300 0.054 0.000 1.374 275 I CB -0.132 37.898 38.000 0.050 0.000 1.057 275 I HN 0.265 nan 8.210 nan 0.000 0.413 276 E N 0.371 120.597 120.200 0.043 0.000 2.112 276 E HA -0.010 4.361 4.350 0.035 0.000 0.190 276 E C 0.658 177.279 176.600 0.035 0.000 0.979 276 E CA 0.625 57.045 56.400 0.034 0.000 0.814 276 E CB 0.245 29.964 29.700 0.032 0.000 0.762 276 E HN 0.340 nan 8.360 nan 0.000 0.460 277 R N 0.936 121.462 120.500 0.044 0.000 2.564 277 R HA 0.147 4.508 4.340 0.035 0.000 0.282 277 R C -2.167 174.153 176.300 0.033 0.000 1.573 277 R CA -1.156 54.967 56.100 0.039 0.000 1.588 277 R CB 1.133 31.461 30.300 0.046 0.000 1.154 277 R HN 0.057 nan 8.270 nan 0.000 0.606 278 P HA -0.190 nan 4.420 nan 0.000 0.226 278 P C 0.928 178.236 177.300 0.014 0.000 1.153 278 P CA 1.049 64.161 63.100 0.021 0.000 0.777 278 P CB 0.353 32.067 31.700 0.023 0.000 0.794 279 E N 1.206 121.417 120.200 0.019 0.000 2.401 279 E HA -0.174 4.198 4.350 0.035 0.000 0.199 279 E C 1.494 178.103 176.600 0.015 0.000 1.023 279 E CA 0.776 57.188 56.400 0.019 0.000 0.859 279 E CB -0.660 29.054 29.700 0.023 0.000 0.780 279 E HN 0.313 nan 8.360 nan 0.000 0.523 280 R N 0.200 120.704 120.500 0.007 0.000 2.313 280 R HA 0.238 4.599 4.340 0.035 0.000 0.199 280 R C 2.302 178.555 176.300 -0.077 0.000 0.958 280 R CA 0.173 56.267 56.100 -0.010 0.000 1.047 280 R CB -0.151 30.160 30.300 0.017 0.000 0.955 280 R HN 0.212 nan 8.270 nan 0.000 0.481 281 I N 1.553 122.084 120.570 -0.065 0.000 2.163 281 I HA -0.218 3.973 4.170 0.035 0.000 0.243 281 I C -0.796 175.289 176.117 -0.053 0.000 1.085 281 I CA 1.455 62.702 61.300 -0.088 0.000 1.347 281 I CB -1.016 36.967 38.000 -0.029 0.000 1.044 281 I HN 0.043 nan 8.210 nan 0.000 0.408 282 P HA -0.180 nan 4.420 nan 0.000 0.215 282 P C 1.467 178.787 177.300 0.032 0.000 1.153 282 P CA 1.853 64.972 63.100 0.033 0.000 0.853 282 P CB -0.033 31.694 31.700 0.045 0.000 0.788 283 A N -0.090 122.740 122.820 0.016 0.000 1.930 283 A HA -0.078 4.263 4.320 0.035 0.000 0.217 283 A C 2.316 179.914 177.584 0.024 0.000 1.175 283 A CA 1.945 54.008 52.037 0.044 0.000 0.627 283 A CB -1.572 17.465 19.000 0.063 0.000 0.815 283 A HN 0.187 nan 8.150 nan 0.000 0.443 284 A N -0.888 121.838 122.820 -0.157 0.000 1.902 284 A HA -0.228 4.114 4.320 0.035 0.000 0.217 284 A C 2.403 179.955 177.584 -0.055 0.000 1.181 284 A CA 1.720 53.506 52.037 -0.419 0.000 0.623 284 A CB -1.483 16.843 19.000 -1.124 0.000 0.818 284 A HN 0.895 nan 8.150 nan 0.000 0.443 285 C N -0.614 118.691 119.300 0.009 0.000 2.413 285 C HA -0.139 4.342 4.460 0.035 0.000 0.276 285 C C 2.581 177.660 174.990 0.150 0.000 1.236 285 C CA 1.895 60.995 59.018 0.136 0.000 1.735 285 C CB -1.067 26.754 27.740 0.135 0.000 2.031 285 C HN 0.682 nan 8.230 nan 0.000 0.474 286 E N 0.579 120.854 120.200 0.125 0.000 2.106 286 E HA -0.172 4.199 4.350 0.035 0.000 0.192 286 E C 2.059 178.726 176.600 0.111 0.000 0.984 286 E CA 1.752 58.232 56.400 0.134 0.000 0.806 286 E CB -0.343 29.462 29.700 0.174 0.000 0.750 286 E HN 0.787 nan 8.360 nan 0.000 0.458 287 E N -0.064 120.229 120.200 0.155 0.000 2.107 287 E HA -0.096 4.276 4.350 0.035 0.000 0.191 287 E C 1.887 178.544 176.600 0.095 0.000 0.982 287 E CA 1.006 57.496 56.400 0.150 0.000 0.809 287 E CB -0.298 29.570 29.700 0.279 0.000 0.756 287 E HN 0.332 nan 8.360 nan 0.000 0.459 288 L N 0.034 121.382 121.223 0.208 0.000 2.083 288 L HA -0.140 4.221 4.340 0.035 0.000 0.209 288 L C 2.518 179.618 176.870 0.383 0.000 1.083 288 L CA 0.877 55.903 54.840 0.310 0.000 0.752 288 L CB -0.425 41.895 42.059 0.435 0.000 0.899 288 L HN 0.208 nan 8.230 nan 0.000 0.433 289 L N -0.549 120.781 121.223 0.180 0.000 2.083 289 L HA -0.222 4.139 4.340 0.035 0.000 0.209 289 L C 2.883 179.510 176.870 -0.404 0.000 1.083 289 L CA 1.179 55.849 54.840 -0.284 0.000 0.752 289 L CB -0.471 41.206 42.059 -0.636 0.000 0.899 289 L HN 0.265 nan 8.230 nan 0.000 0.433 290 R N 0.277 120.578 120.500 -0.331 0.000 2.070 290 R HA -0.217 4.144 4.340 0.035 0.000 0.233 290 R C 2.472 178.613 176.300 -0.265 0.000 1.137 290 R CA 1.732 57.681 56.100 -0.251 0.000 0.945 290 R CB -0.086 30.172 30.300 -0.070 0.000 0.845 290 R HN 0.094 nan 8.270 nan 0.000 0.430 291 R N -0.212 120.083 120.500 -0.341 0.000 2.119 291 R HA -0.020 4.341 4.340 0.035 0.000 0.222 291 R C 0.460 176.255 176.300 -0.843 0.000 1.088 291 R CA 1.409 57.117 56.100 -0.654 0.000 0.984 291 R CB -0.030 29.706 30.300 -0.940 0.000 0.884 291 R HN 0.235 nan 8.270 nan 0.000 0.447 292 F N 1.233 121.081 119.950 -0.170 0.000 2.928 292 F HA 0.339 4.887 4.527 0.034 0.000 0.337 292 F C 0.344 176.013 175.800 -0.218 0.000 1.259 292 F CA -0.677 57.156 58.000 -0.278 0.000 1.267 292 F CB 0.238 39.072 39.000 -0.276 0.000 0.986 292 F HN -0.046 nan 8.300 nan 0.000 0.507 293 S N 1.463 117.057 115.700 -0.178 0.000 2.576 293 S HA 0.269 4.760 4.470 0.035 0.000 0.272 293 S C 0.629 175.055 174.600 -0.290 0.000 1.352 293 S CA -0.262 57.794 58.200 -0.240 0.000 1.021 293 S CB 1.085 64.111 63.200 -0.289 0.000 0.887 293 S HN 0.600 nan 8.310 nan 0.000 0.542 294 L N -1.339 119.734 121.223 -0.249 0.000 3.689 294 L HA 0.534 4.895 4.340 0.035 0.000 0.344 294 L C -1.037 175.695 176.870 -0.229 0.000 1.221 294 L CA -0.647 54.057 54.840 -0.228 0.000 1.171 294 L CB 0.075 42.121 42.059 -0.021 0.000 1.540 294 L HN 0.430 nan 8.230 nan 0.000 0.631 295 V N 2.094 121.865 119.914 -0.238 0.000 2.435 295 V HA 0.749 4.890 4.120 0.035 0.000 0.290 295 V C 0.541 176.475 176.094 -0.267 0.000 1.030 295 V CA -0.061 62.117 62.300 -0.203 0.000 0.881 295 V CB 1.500 33.264 31.823 -0.098 0.000 0.983 295 V HN 0.312 nan 8.190 nan 0.000 0.445 296 A N 3.164 125.813 122.820 -0.285 0.000 2.801 296 A HA 0.514 4.855 4.320 0.035 0.000 0.344 296 A C -0.225 177.281 177.584 -0.130 0.000 1.322 296 A CA -0.404 51.474 52.037 -0.265 0.000 0.913 296 A CB -0.103 18.720 19.000 -0.295 0.000 1.140 296 A HN 0.772 nan 8.150 nan 0.000 0.487 297 D N 1.152 121.532 120.400 -0.033 0.000 2.354 297 D HA 0.691 5.353 4.640 0.035 0.000 0.247 297 D C 0.613 176.914 176.300 0.002 0.000 1.138 297 D CA 0.861 54.913 54.000 0.086 0.000 0.958 297 D CB 1.615 42.508 40.800 0.155 0.000 1.144 297 D HN 0.570 nan 8.370 nan 0.000 0.458 298 G N 0.515 109.318 108.800 0.004 0.000 2.682 298 G HA2 0.648 4.629 3.960 0.035 0.000 0.303 298 G HA3 0.648 4.629 3.960 0.035 0.000 0.303 298 G C -1.236 173.611 174.900 -0.088 0.000 1.341 298 G CA -0.633 44.424 45.100 -0.071 0.000 0.784 298 G HN 0.382 nan 8.290 nan 0.000 0.497 299 R N -1.248 119.228 120.500 -0.039 0.000 2.781 299 R HA 0.584 4.946 4.340 0.035 0.000 0.269 299 R C -1.538 174.821 176.300 0.098 0.000 1.025 299 R CA -0.751 55.364 56.100 0.025 0.000 0.914 299 R CB 2.041 32.389 30.300 0.081 0.000 1.236 299 R HN 0.607 nan 8.270 nan 0.000 0.465 300 I N 1.421 122.056 120.570 0.108 0.000 2.509 300 I HA 0.289 4.481 4.170 0.035 0.000 0.293 300 I C -0.621 175.564 176.117 0.113 0.000 1.020 300 I CA -1.025 60.346 61.300 0.119 0.000 1.088 300 I CB 1.285 39.326 38.000 0.069 0.000 1.267 300 I HN 0.246 nan 8.210 nan 0.000 0.430 301 L N 6.480 127.773 121.223 0.117 0.000 2.410 301 L HA 0.149 4.510 4.340 0.035 0.000 0.273 301 L C 1.472 178.335 176.870 -0.011 0.000 1.144 301 L CA 0.413 55.257 54.840 0.006 0.000 0.863 301 L CB 1.099 43.188 42.059 0.049 0.000 1.140 301 L HN 0.804 nan 8.230 nan 0.000 0.463 302 T N -1.774 112.737 114.554 -0.072 0.000 3.065 302 T HA 0.092 4.463 4.350 0.035 0.000 0.252 302 T C 0.692 175.370 174.700 -0.036 0.000 1.099 302 T CA 0.328 62.399 62.100 -0.048 0.000 1.063 302 T CB 0.153 68.975 68.868 -0.077 0.000 0.948 302 T HN 0.611 nan 8.240 nan 0.000 0.506 303 S N -0.094 115.588 115.700 -0.030 0.000 2.615 303 S HA 0.493 4.984 4.470 0.035 0.000 0.269 303 S C -2.020 172.595 174.600 0.024 0.000 1.161 303 S CA -1.152 57.051 58.200 0.004 0.000 0.817 303 S CB 1.091 64.302 63.200 0.019 0.000 1.131 303 S HN 0.047 nan 8.310 nan 0.000 0.467 304 D N 1.209 121.627 120.400 0.029 0.000 2.458 304 D HA 0.416 5.077 4.640 0.035 0.000 0.243 304 D C -0.903 175.458 176.300 0.101 0.000 1.146 304 D CA 1.027 55.050 54.000 0.037 0.000 0.877 304 D CB 0.008 40.814 40.800 0.011 0.000 1.176 304 D HN 0.531 nan 8.370 nan 0.000 0.461 305 Y N 0.637 120.871 120.300 -0.111 0.000 2.442 305 Y HA 0.167 4.738 4.550 0.034 0.000 0.330 305 Y C -1.053 174.781 175.900 -0.110 0.000 1.100 305 Y CA -0.966 57.021 58.100 -0.188 0.000 1.034 305 Y CB 1.310 39.521 38.460 -0.416 0.000 1.285 305 Y HN 0.323 nan 8.280 nan 0.000 0.440 306 E N 5.998 125.915 120.200 -0.472 0.000 2.200 306 E HA 0.357 4.728 4.350 0.035 0.000 0.283 306 E C -1.952 174.245 176.600 -0.672 0.000 1.015 306 E CA -0.437 55.713 56.400 -0.417 0.000 0.819 306 E CB 0.698 30.258 29.700 -0.233 0.000 1.081 306 E HN 0.485 nan 8.360 nan 0.000 0.397 307 F N 5.100 124.717 119.950 -0.555 0.000 2.536 307 F HA 0.242 4.791 4.527 0.037 0.000 0.322 307 F C -0.386 175.363 175.800 -0.084 0.000 1.144 307 F CA -0.575 57.208 58.000 -0.360 0.000 0.924 307 F CB 0.714 39.627 39.000 -0.144 0.000 1.181 307 F HN 0.689 nan 8.300 nan 0.000 0.438 308 H N 4.220 122.954 119.070 -0.560 0.000 2.626 308 H HA -0.200 4.377 4.556 0.036 0.000 0.317 308 H C 1.403 176.582 175.328 -0.249 0.000 1.140 308 H CA 1.177 56.958 56.048 -0.446 0.000 1.134 308 H CB -1.002 28.406 29.762 -0.590 0.000 1.486 308 H HN 1.230 nan 8.280 nan 0.000 0.417 309 G N -1.075 107.635 108.800 -0.150 0.000 2.184 309 G HA2 -0.327 3.654 3.960 0.035 0.000 0.264 309 G HA3 -0.327 3.654 3.960 0.035 0.000 0.264 309 G C 0.298 175.164 174.900 -0.055 0.000 0.975 309 G CA 0.364 45.410 45.100 -0.089 0.000 0.642 309 G HN 0.462 nan 8.290 nan 0.000 0.536 310 V N 1.625 121.487 119.914 -0.085 0.000 2.435 310 V HA 0.480 4.621 4.120 0.035 0.000 0.290 310 V C 0.110 176.134 176.094 -0.117 0.000 1.030 310 V CA -0.991 61.249 62.300 -0.100 0.000 0.881 310 V CB 1.872 33.565 31.823 -0.216 0.000 0.983 310 V HN 0.286 nan 8.190 nan 0.000 0.445 311 Q N 4.868 124.652 119.800 -0.027 0.000 2.323 311 Q HA 0.430 4.791 4.340 0.035 0.000 0.257 311 Q C -0.733 175.332 176.000 0.109 0.000 1.022 311 Q CA 0.053 55.874 55.803 0.029 0.000 0.919 311 Q CB 1.192 29.989 28.738 0.098 0.000 1.220 311 Q HN 0.566 nan 8.270 nan 0.000 0.427 312 L N 1.912 123.143 121.223 0.013 0.000 2.325 312 L HA 0.466 4.827 4.340 0.035 0.000 0.279 312 L C 0.415 177.356 176.870 0.118 0.000 1.054 312 L CA -0.567 54.339 54.840 0.109 0.000 0.804 312 L CB 1.006 43.050 42.059 -0.025 0.000 1.200 312 L HN 0.319 nan 8.230 nan 0.000 0.436 313 K N 2.833 123.309 120.400 0.128 0.000 2.164 313 K HA 0.250 4.592 4.320 0.035 0.000 0.258 313 K C -0.331 176.288 176.600 0.031 0.000 0.951 313 K CA -0.837 55.393 56.287 -0.096 0.000 0.844 313 K CB 1.503 33.648 32.500 -0.593 0.000 1.099 313 K HN 0.425 nan 8.250 nan 0.000 0.435 314 K N 2.067 122.469 120.400 0.004 0.000 2.511 314 K HA -0.138 4.203 4.320 0.035 0.000 0.277 314 K C 0.585 177.220 176.600 0.058 0.000 1.025 314 K CA 1.778 58.081 56.287 0.027 0.000 1.112 314 K CB -0.173 32.332 32.500 0.009 0.000 0.859 314 K HN 0.878 nan 8.250 nan 0.000 0.485 315 G N 3.131 111.981 108.800 0.084 0.000 2.241 315 G HA2 -0.234 3.747 3.960 0.035 0.000 0.244 315 G HA3 -0.234 3.747 3.960 0.035 0.000 0.244 315 G C -0.307 174.702 174.900 0.182 0.000 0.998 315 G CA 0.200 45.365 45.100 0.107 0.000 0.621 315 G HN 0.748 nan 8.290 nan 0.000 0.519 316 D N 1.663 122.224 120.400 0.268 0.000 2.472 316 D HA 0.367 5.029 4.640 0.035 0.000 0.237 316 D C 0.929 177.459 176.300 0.384 0.000 1.141 316 D CA 0.625 54.892 54.000 0.445 0.000 0.875 316 D CB 0.472 41.719 40.800 0.745 0.000 1.192 316 D HN 0.545 nan 8.370 nan 0.000 0.450 317 Q N 0.792 120.802 119.800 0.349 0.000 2.222 317 Q HA 0.607 4.968 4.340 0.035 0.000 0.252 317 Q C -0.301 175.919 176.000 0.367 0.000 0.926 317 Q CA -0.608 55.349 55.803 0.258 0.000 0.899 317 Q CB 2.422 31.224 28.738 0.108 0.000 1.250 317 Q HN 0.470 nan 8.270 nan 0.000 0.441 318 I N 2.279 123.016 120.570 0.279 0.000 2.478 318 I HA 0.310 4.501 4.170 0.035 0.000 0.287 318 I C -1.450 174.728 176.117 0.103 0.000 1.042 318 I CA -0.740 60.731 61.300 0.286 0.000 1.067 318 I CB 0.988 39.145 38.000 0.263 0.000 1.233 318 I HN 0.511 nan 8.210 nan 0.000 0.431 319 L N 7.866 129.168 121.223 0.131 0.000 2.331 319 L HA 0.380 4.741 4.340 0.035 0.000 0.278 319 L C -0.775 176.090 176.870 -0.007 0.000 1.106 319 L CA -0.536 54.331 54.840 0.047 0.000 0.824 319 L CB 1.173 43.306 42.059 0.124 0.000 1.142 319 L HN 0.593 nan 8.230 nan 0.000 0.443 320 L N 6.419 127.582 121.223 -0.100 0.000 2.445 320 L HA 0.341 4.702 4.340 0.035 0.000 0.252 320 L C -2.297 174.507 176.870 -0.109 0.000 1.105 320 L CA -1.735 53.000 54.840 -0.174 0.000 0.943 320 L CB 1.084 42.877 42.059 -0.444 0.000 1.277 320 L HN 0.357 nan 8.230 nan 0.000 0.465 321 P HA 0.092 nan 4.420 nan 0.000 0.282 321 P C 0.250 177.445 177.300 -0.174 0.000 1.262 321 P CA -0.404 62.577 63.100 -0.199 0.000 0.773 321 P CB 1.036 32.578 31.700 -0.264 0.000 0.879 322 Q N 2.419 122.114 119.800 -0.175 0.000 2.226 322 Q HA -0.156 4.205 4.340 0.035 0.000 0.204 322 Q C 1.248 177.135 176.000 -0.188 0.000 0.975 322 Q CA 1.358 57.085 55.803 -0.127 0.000 0.866 322 Q CB -0.705 27.966 28.738 -0.111 0.000 0.915 322 Q HN 0.226 nan 8.270 nan 0.000 0.440 323 M N 1.151 120.575 119.600 -0.294 0.000 2.144 323 M HA -0.139 4.362 4.480 0.035 0.000 0.260 323 M C 1.928 178.121 176.300 -0.178 0.000 1.067 323 M CA 1.567 56.701 55.300 -0.278 0.000 1.095 323 M CB -0.298 32.074 32.600 -0.380 0.000 1.365 323 M HN 0.193 nan 8.290 nan 0.000 0.406 324 L N -0.958 120.176 121.223 -0.149 0.000 2.313 324 L HA -0.093 4.269 4.340 0.035 0.000 0.214 324 L C 2.449 179.263 176.870 -0.093 0.000 1.119 324 L CA 0.964 55.743 54.840 -0.102 0.000 0.809 324 L CB -0.888 41.122 42.059 -0.082 0.000 0.933 324 L HN 0.407 nan 8.230 nan 0.000 0.449 325 S N 0.023 115.672 115.700 -0.085 0.000 2.357 325 S HA -0.071 4.421 4.470 0.035 0.000 0.221 325 S C 2.084 176.645 174.600 -0.065 0.000 1.031 325 S CA 0.863 59.023 58.200 -0.068 0.000 0.982 325 S CB -0.998 62.173 63.200 -0.048 0.000 0.853 325 S HN 0.390 nan 8.310 nan 0.000 0.458 326 G N 1.565 110.322 108.800 -0.072 0.000 2.422 326 G HA2 0.083 4.064 3.960 0.035 0.000 0.218 326 G HA3 0.083 4.064 3.960 0.035 0.000 0.218 326 G C 1.287 176.126 174.900 -0.101 0.000 1.140 326 G CA 0.522 45.582 45.100 -0.068 0.000 0.775 326 G HN 0.510 nan 8.290 nan 0.000 0.545 327 L N 0.561 121.714 121.223 -0.117 0.000 2.607 327 L HA 0.197 4.558 4.340 0.035 0.000 0.228 327 L C 0.354 177.166 176.870 -0.096 0.000 1.123 327 L CA -0.367 54.402 54.840 -0.119 0.000 0.890 327 L CB 0.132 42.116 42.059 -0.125 0.000 1.103 327 L HN 0.014 nan 8.230 nan 0.000 0.468 328 D N 1.983 122.332 120.400 -0.086 0.000 2.363 328 D HA -0.074 4.587 4.640 0.035 0.000 0.263 328 D C 1.369 177.626 176.300 -0.072 0.000 1.258 328 D CA 0.087 54.041 54.000 -0.077 0.000 0.907 328 D CB 0.999 41.755 40.800 -0.073 0.000 1.107 328 D HN 0.408 nan 8.370 nan 0.000 0.495 329 E N 3.682 123.839 120.200 -0.072 0.000 2.265 329 E HA -0.213 4.158 4.350 0.035 0.000 0.196 329 E C 1.174 177.740 176.600 -0.056 0.000 0.996 329 E CA 0.619 56.977 56.400 -0.070 0.000 0.832 329 E CB -0.004 29.653 29.700 -0.072 0.000 0.756 329 E HN 0.435 nan 8.360 nan 0.000 0.491 330 R N 0.603 121.072 120.500 -0.052 0.000 2.148 330 R HA -0.057 4.304 4.340 0.035 0.000 0.227 330 R C 1.821 178.097 176.300 -0.039 0.000 1.103 330 R CA 1.560 57.634 56.100 -0.043 0.000 0.983 330 R CB -0.029 30.246 30.300 -0.043 0.000 0.874 330 R HN 0.408 nan 8.270 nan 0.000 0.451 331 E N -0.459 119.714 120.200 -0.044 0.000 2.330 331 E HA 0.103 4.474 4.350 0.035 0.000 0.200 331 E C -0.045 176.534 176.600 -0.036 0.000 0.922 331 E CA 0.175 56.551 56.400 -0.039 0.000 0.935 331 E CB 0.462 30.135 29.700 -0.045 0.000 0.917 331 E HN 0.189 nan 8.360 nan 0.000 0.491 332 N N 1.086 119.759 118.700 -0.045 0.000 2.540 332 N HA 0.309 5.070 4.740 0.035 0.000 0.275 332 N C -1.049 174.426 175.510 -0.059 0.000 1.053 332 N CA -0.126 52.897 53.050 -0.044 0.000 0.876 332 N CB 2.002 40.460 38.487 -0.048 0.000 1.284 332 N HN 0.004 nan 8.380 nan 0.000 0.518 333 A N 0.615 123.405 122.820 -0.050 0.000 2.498 333 A HA 0.210 4.552 4.320 0.035 0.000 0.239 333 A C 0.789 178.310 177.584 -0.105 0.000 1.068 333 A CA 0.006 52.003 52.037 -0.066 0.000 0.766 333 A CB -0.189 18.785 19.000 -0.043 0.000 1.003 333 A HN 0.940 nan 8.150 nan 0.000 0.497 334 C N 2.213 121.414 119.300 -0.166 0.000 3.727 334 C HA -0.094 4.388 4.460 0.035 0.000 0.293 334 C C -0.563 174.255 174.990 -0.286 0.000 1.339 334 C CA 0.021 58.837 59.018 -0.338 0.000 2.150 334 C CB -2.230 25.245 27.740 -0.442 0.000 1.383 334 C HN 0.859 nan 8.230 nan 0.000 0.614 335 P HA -0.134 nan 4.420 nan 0.000 0.223 335 P C 1.408 178.615 177.300 -0.155 0.000 1.151 335 P CA 1.412 64.425 63.100 -0.146 0.000 0.787 335 P CB 0.022 31.648 31.700 -0.124 0.000 0.788 336 M N -1.573 117.937 119.600 -0.149 0.000 2.562 336 M HA 0.036 4.537 4.480 0.035 0.000 0.257 336 M C 0.528 176.837 176.300 0.015 0.000 1.099 336 M CA 0.586 55.832 55.300 -0.089 0.000 1.099 336 M CB -1.768 30.817 32.600 -0.024 0.000 1.427 336 M HN -0.001 nan 8.290 nan 0.000 0.489 337 H N 0.209 119.222 119.070 -0.094 0.000 2.683 337 H HA 0.301 4.878 4.556 0.035 0.000 0.339 337 H C -0.282 174.968 175.328 -0.129 0.000 1.081 337 H CA -0.733 55.276 56.048 -0.065 0.000 1.432 337 H CB 0.591 30.340 29.762 -0.023 0.000 1.462 337 H HN -0.176 nan 8.280 nan 0.000 0.557 338 V N 4.017 123.900 119.914 -0.051 0.000 2.408 338 V HA 0.051 4.192 4.120 0.035 0.000 0.267 338 V C 0.343 176.417 176.094 -0.032 0.000 1.047 338 V CA -0.293 61.888 62.300 -0.198 0.000 0.937 338 V CB 0.799 32.242 31.823 -0.633 0.000 0.999 338 V HN 0.689 nan 8.190 nan 0.000 0.472 339 D N 4.424 124.816 120.400 -0.014 0.000 2.454 339 D HA 0.335 4.996 4.640 0.035 0.000 0.247 339 D C 0.531 176.907 176.300 0.126 0.000 1.129 339 D CA -0.578 53.434 54.000 0.020 0.000 0.877 339 D CB 0.959 41.794 40.800 0.059 0.000 1.082 339 D HN 0.239 nan 8.370 nan 0.000 0.537 340 F N 1.285 121.328 119.950 0.155 0.000 2.408 340 F HA -0.048 4.500 4.527 0.035 0.000 0.300 340 F C 2.209 178.061 175.800 0.086 0.000 1.090 340 F CA 0.481 58.557 58.000 0.126 0.000 1.427 340 F CB -0.507 38.581 39.000 0.147 0.000 1.070 340 F HN 0.282 nan 8.300 nan 0.000 0.549 341 S N -0.816 115.021 115.700 0.229 0.000 2.597 341 S HA 0.071 4.563 4.470 0.035 0.000 0.224 341 S C 0.836 175.501 174.600 0.108 0.000 0.955 341 S CA -0.519 57.768 58.200 0.145 0.000 0.933 341 S CB -0.343 62.919 63.200 0.103 0.000 0.788 341 S HN 0.173 nan 8.310 nan 0.000 0.488 342 R N 2.066 122.636 120.500 0.116 0.000 2.504 342 R HA -0.021 4.340 4.340 0.035 0.000 0.291 342 R C 1.234 177.578 176.300 0.073 0.000 0.974 342 R CA 0.421 56.571 56.100 0.083 0.000 1.077 342 R CB 0.251 30.600 30.300 0.082 0.000 0.926 342 R HN 0.314 nan 8.270 nan 0.000 0.407 343 Q N 3.008 122.839 119.800 0.052 0.000 2.049 343 Q HA -0.069 4.292 4.340 0.035 0.000 0.198 343 Q C 0.034 176.058 176.000 0.039 0.000 0.971 343 Q CA 1.487 57.317 55.803 0.044 0.000 0.833 343 Q CB 0.249 29.007 28.738 0.033 0.000 0.896 343 Q HN 0.480 nan 8.270 nan 0.000 0.434 344 K N 1.101 121.520 120.400 0.032 0.000 2.579 344 K HA 0.312 4.653 4.320 0.035 0.000 0.225 344 K C -1.349 175.265 176.600 0.024 0.000 0.992 344 K CA -0.237 56.064 56.287 0.023 0.000 1.018 344 K CB 2.014 34.521 32.500 0.012 0.000 1.249 344 K HN -0.139 nan 8.250 nan 0.000 0.489 345 V N 2.418 122.356 119.914 0.040 0.000 2.370 345 V HA 0.027 4.168 4.120 0.035 0.000 0.257 345 V C 0.342 176.453 176.094 0.029 0.000 1.064 345 V CA -0.037 62.300 62.300 0.061 0.000 0.975 345 V CB 0.761 32.654 31.823 0.116 0.000 1.067 345 V HN 0.574 nan 8.190 nan 0.000 0.485 346 S N 5.576 121.282 115.700 0.009 0.000 2.457 346 S HA 0.678 5.169 4.470 0.035 0.000 0.289 346 S C -0.567 174.040 174.600 0.011 0.000 1.163 346 S CA -0.490 57.686 58.200 -0.039 0.000 1.078 346 S CB 0.183 63.362 63.200 -0.035 0.000 0.987 346 S HN 1.078 nan 8.310 nan 0.000 0.482 347 H N 0.237 119.280 119.070 -0.044 0.000 3.003 347 H HA 0.535 5.112 4.556 0.035 0.000 0.327 347 H C -0.481 174.809 175.328 -0.062 0.000 1.353 347 H CA -0.435 55.568 56.048 -0.076 0.000 1.142 347 H CB 0.766 30.466 29.762 -0.103 0.000 1.864 347 H HN 0.313 nan 8.280 nan 0.000 0.529 348 T N -1.824 112.817 114.554 0.144 0.000 3.415 348 T HA 0.178 4.550 4.350 0.035 0.000 0.282 348 T C 0.381 175.131 174.700 0.082 0.000 1.007 348 T CA 0.055 62.208 62.100 0.087 0.000 0.958 348 T CB -0.430 68.443 68.868 0.008 0.000 1.171 348 T HN 0.626 nan 8.240 nan 0.000 0.500 349 T N 1.231 115.876 114.554 0.152 0.000 2.867 349 T HA 0.078 4.449 4.350 0.035 0.000 0.268 349 T C 0.419 174.888 174.700 -0.384 0.000 1.057 349 T CA 1.063 62.974 62.100 -0.315 0.000 1.136 349 T CB -0.358 68.042 68.868 -0.781 0.000 0.874 349 T HN 0.484 nan 8.240 nan 0.000 0.466 350 F N 1.194 121.157 119.950 0.021 0.000 2.645 350 F HA 0.471 5.019 4.527 0.035 0.000 0.300 350 F C 1.607 177.376 175.800 -0.053 0.000 1.115 350 F CA -0.381 57.602 58.000 -0.029 0.000 1.355 350 F CB -0.528 38.454 39.000 -0.030 0.000 1.026 350 F HN 0.264 nan 8.300 nan 0.000 0.536 351 G N 0.097 108.916 108.800 0.033 0.000 2.660 351 G HA2 -0.109 3.872 3.960 0.035 0.000 0.215 351 G HA3 -0.109 3.872 3.960 0.035 0.000 0.215 351 G C -1.402 173.327 174.900 -0.285 0.000 1.345 351 G CA -0.571 44.411 45.100 -0.198 0.000 0.877 351 G HN 0.541 nan 8.290 nan 0.000 0.549 352 H N -1.042 117.585 119.070 -0.738 0.000 3.085 352 H HA 0.664 5.241 4.556 0.035 0.000 0.356 352 H C 0.617 175.784 175.328 -0.268 0.000 1.178 352 H CA 1.875 57.635 56.048 -0.479 0.000 1.214 352 H CB 1.226 30.694 29.762 -0.489 0.000 1.881 352 H HN 2.613 nan 8.280 nan 0.000 0.538 353 G N 1.461 109.937 108.800 -0.540 0.000 2.498 353 G HA2 -0.296 3.685 3.960 0.035 0.000 0.245 353 G HA3 -0.296 3.685 3.960 0.035 0.000 0.245 353 G C 1.147 176.003 174.900 -0.075 0.000 1.204 353 G CA 0.703 45.683 45.100 -0.199 0.000 0.933 353 G HN 1.407 nan 8.290 nan 0.000 0.574 354 S N -0.758 114.957 115.700 0.025 0.000 2.522 354 S HA 0.053 4.544 4.470 0.035 0.000 0.227 354 S C 1.259 175.766 174.600 -0.156 0.000 0.986 354 S CA 1.594 59.746 58.200 -0.080 0.000 0.929 354 S CB -0.187 62.923 63.200 -0.149 0.000 0.769 354 S HN 0.725 nan 8.310 nan 0.000 0.529 355 H N 1.157 120.233 119.070 0.010 0.000 2.524 355 H HA 0.380 4.959 4.556 0.038 0.000 0.299 355 H C -0.089 175.237 175.328 -0.002 0.000 1.074 355 H CA -0.358 55.707 56.048 0.029 0.000 1.115 355 H CB -0.108 29.709 29.762 0.093 0.000 1.522 355 H HN 0.380 nan 8.280 nan 0.000 0.543 356 L N 1.238 122.479 121.223 0.030 0.000 2.578 356 L HA -0.107 4.254 4.340 0.035 0.000 0.279 356 L C 1.030 177.912 176.870 0.020 0.000 1.227 356 L CA 0.010 54.851 54.840 0.003 0.000 0.900 356 L CB 0.257 42.292 42.059 -0.041 0.000 1.144 356 L HN 0.352 nan 8.230 nan 0.000 0.496 357 C N 5.173 124.498 119.300 0.042 0.000 2.419 357 C HA -0.015 4.467 4.460 0.035 0.000 0.398 357 C C 1.795 176.716 174.990 -0.115 0.000 1.498 357 C CA -0.280 58.746 59.018 0.013 0.000 1.494 357 C CB -0.957 26.839 27.740 0.092 0.000 2.485 357 C HN 0.780 nan 8.230 nan 0.000 0.608 358 L N 5.096 126.288 121.223 -0.052 0.000 2.418 358 L HA 0.150 4.511 4.340 0.035 0.000 0.218 358 L C 2.426 179.235 176.870 -0.102 0.000 1.125 358 L CA 1.194 55.996 54.840 -0.063 0.000 0.835 358 L CB -0.367 41.700 42.059 0.012 0.000 0.953 358 L HN 0.964 nan 8.230 nan 0.000 0.454 359 G N -0.397 108.340 108.800 -0.105 0.000 2.985 359 G HA2 -0.103 3.878 3.960 0.035 0.000 0.209 359 G HA3 -0.103 3.878 3.960 0.035 0.000 0.209 359 G C 1.387 176.131 174.900 -0.260 0.000 1.165 359 G CA 0.024 45.064 45.100 -0.099 0.000 0.776 359 G HN 0.539 nan 8.290 nan 0.000 0.541 360 Q N -0.164 119.286 119.800 -0.583 0.000 2.170 360 Q HA -0.169 4.192 4.340 0.035 0.000 0.203 360 Q C 1.782 177.344 176.000 -0.729 0.000 0.976 360 Q CA 1.252 56.390 55.803 -1.108 0.000 0.858 360 Q CB -0.501 27.191 28.738 -1.743 0.000 0.907 360 Q HN 0.483 nan 8.270 nan 0.000 0.433 361 H N 0.503 119.418 119.070 -0.257 0.000 2.363 361 H HA -0.041 4.537 4.556 0.036 0.000 0.301 361 H C 2.190 177.480 175.328 -0.063 0.000 1.074 361 H CA 1.239 57.208 56.048 -0.133 0.000 1.354 361 H CB -0.232 29.476 29.762 -0.090 0.000 1.397 361 H HN 0.240 nan 8.280 nan 0.000 0.516 362 L N 1.356 122.604 121.223 0.042 0.000 2.012 362 L HA -0.090 4.271 4.340 0.035 0.000 0.210 362 L C 2.551 179.451 176.870 0.049 0.000 1.073 362 L CA 1.853 56.720 54.840 0.044 0.000 0.748 362 L CB -0.963 41.119 42.059 0.037 0.000 0.891 362 L HN 0.189 nan 8.230 nan 0.000 0.431 363 A N -0.391 122.439 122.820 0.016 0.000 1.865 363 A HA -0.242 4.100 4.320 0.035 0.000 0.217 363 A C 2.445 180.116 177.584 0.145 0.000 1.191 363 A CA 1.973 54.068 52.037 0.096 0.000 0.623 363 A CB -0.617 18.476 19.000 0.154 0.000 0.826 363 A HN 0.500 nan 8.150 nan 0.000 0.444 364 R N -1.056 119.502 120.500 0.097 0.000 2.096 364 R HA -0.087 4.274 4.340 0.035 0.000 0.235 364 R C 2.460 178.855 176.300 0.157 0.000 1.127 364 R CA 1.232 57.417 56.100 0.141 0.000 0.968 364 R CB -0.285 30.078 30.300 0.104 0.000 0.861 364 R HN 0.406 nan 8.270 nan 0.000 0.440 365 R N 0.911 121.495 120.500 0.139 0.000 2.073 365 R HA -0.135 4.226 4.340 0.035 0.000 0.234 365 R C 2.034 178.473 176.300 0.233 0.000 1.134 365 R CA 1.423 57.617 56.100 0.157 0.000 0.952 365 R CB -0.345 30.031 30.300 0.127 0.000 0.850 365 R HN 0.435 nan 8.270 nan 0.000 0.433 366 E N 0.360 120.716 120.200 0.260 0.000 2.077 366 E HA -0.140 4.231 4.350 0.035 0.000 0.193 366 E C 2.108 179.004 176.600 0.493 0.000 0.989 366 E CA 1.034 57.705 56.400 0.452 0.000 0.800 366 E CB -0.146 29.730 29.700 0.295 0.000 0.746 366 E HN 0.289 nan 8.360 nan 0.000 0.452 367 I N 0.683 121.470 120.570 0.360 0.000 2.202 367 I HA -0.263 3.928 4.170 0.035 0.000 0.242 367 I C 2.297 178.564 176.117 0.250 0.000 1.091 367 I CA 1.057 62.565 61.300 0.345 0.000 1.368 367 I CB -0.147 38.070 38.000 0.362 0.000 1.058 367 I HN 0.084 nan 8.210 nan 0.000 0.410 368 I N -0.203 120.492 120.570 0.208 0.000 2.252 368 I HA -0.234 3.957 4.170 0.035 0.000 0.245 368 I C 2.497 178.693 176.117 0.132 0.000 1.102 368 I CA 1.034 62.421 61.300 0.145 0.000 1.385 368 I CB -0.259 37.815 38.000 0.122 0.000 1.064 368 I HN 0.007 nan 8.210 nan 0.000 0.414 369 V N 0.505 120.520 119.914 0.167 0.000 2.295 369 V HA -0.303 3.838 4.120 0.035 0.000 0.246 369 V C 2.513 178.656 176.094 0.082 0.000 1.049 369 V CA 2.509 64.893 62.300 0.141 0.000 1.024 369 V CB -0.926 31.028 31.823 0.219 0.000 0.648 369 V HN 0.469 nan 8.190 nan 0.000 0.447 370 T N 0.564 115.171 114.554 0.088 0.000 2.652 370 T HA -0.192 4.179 4.350 0.035 0.000 0.267 370 T C 1.869 176.586 174.700 0.028 0.000 1.039 370 T CA 1.838 63.944 62.100 0.009 0.000 1.153 370 T CB -0.352 68.584 68.868 0.114 0.000 0.863 370 T HN 0.303 nan 8.240 nan 0.000 0.428 371 L N 0.300 121.559 121.223 0.060 0.000 2.046 371 L HA -0.121 4.241 4.340 0.035 0.000 0.208 371 L C 2.692 179.606 176.870 0.074 0.000 1.077 371 L CA 1.490 56.362 54.840 0.054 0.000 0.747 371 L CB -0.498 41.591 42.059 0.050 0.000 0.896 371 L HN 0.241 nan 8.230 nan 0.000 0.432 372 K N -0.265 120.171 120.400 0.061 0.000 2.002 372 K HA -0.158 4.183 4.320 0.035 0.000 0.209 372 K C 2.082 178.704 176.600 0.037 0.000 1.048 372 K CA 1.235 57.551 56.287 0.048 0.000 0.930 372 K CB -0.063 32.464 32.500 0.045 0.000 0.714 372 K HN 0.201 nan 8.250 nan 0.000 0.438 373 E N -0.028 120.188 120.200 0.027 0.000 2.208 373 E HA -0.164 4.207 4.350 0.035 0.000 0.193 373 E C 1.626 178.192 176.600 -0.056 0.000 0.988 373 E CA 0.586 56.977 56.400 -0.014 0.000 0.828 373 E CB -0.123 29.566 29.700 -0.018 0.000 0.763 373 E HN 0.463 nan 8.360 nan 0.000 0.478 374 W N 1.429 122.600 121.300 -0.215 0.000 2.408 374 W HA -0.079 4.603 4.660 0.036 0.000 0.311 374 W C 1.809 178.191 176.519 -0.228 0.000 1.190 374 W CA 0.895 58.055 57.345 -0.309 0.000 1.321 374 W CB -0.405 28.805 29.460 -0.417 0.000 1.143 374 W HN 0.015 nan 8.180 nan 0.000 0.501 375 L N 0.472 121.802 121.223 0.179 0.000 2.191 375 L HA -0.219 4.142 4.340 0.035 0.000 0.212 375 L C 2.385 179.264 176.870 0.014 0.000 1.103 375 L CA 1.599 56.529 54.840 0.151 0.000 0.769 375 L CB -1.190 40.968 42.059 0.165 0.000 0.908 375 L HN -0.118 nan 8.230 nan 0.000 0.438 376 T N -0.578 113.959 114.554 -0.028 0.000 2.720 376 T HA -0.198 4.173 4.350 0.035 0.000 0.268 376 T C 2.070 176.700 174.700 -0.116 0.000 1.037 376 T CA 1.498 63.564 62.100 -0.057 0.000 1.144 376 T CB -0.064 68.774 68.868 -0.049 0.000 0.864 376 T HN 0.342 nan 8.240 nan 0.000 0.444 377 R N -0.332 120.035 120.500 -0.222 0.000 2.167 377 R HA 0.348 4.709 4.340 0.035 0.000 0.201 377 R C 0.520 176.585 176.300 -0.392 0.000 1.024 377 R CA 0.535 56.458 56.100 -0.295 0.000 1.053 377 R CB 0.476 30.549 30.300 -0.378 0.000 0.987 377 R HN 0.293 nan 8.270 nan 0.000 0.493 378 I N 2.469 122.700 120.570 -0.566 0.000 2.833 378 I HA 0.197 4.389 4.170 0.035 0.000 0.286 378 I C -1.973 174.067 176.117 -0.129 0.000 1.287 378 I CA -1.574 59.345 61.300 -0.635 0.000 1.046 378 I CB 1.904 39.008 38.000 -1.492 0.000 1.612 378 I HN -0.102 nan 8.210 nan 0.000 0.585 379 P HA -0.066 nan 4.420 nan 0.000 0.223 379 P C 0.189 177.611 177.300 0.204 0.000 1.151 379 P CA 1.202 64.386 63.100 0.141 0.000 0.787 379 P CB 0.459 32.191 31.700 0.053 0.000 0.788 380 D N -0.040 120.485 120.400 0.208 0.000 2.440 380 D HA 0.361 5.022 4.640 0.035 0.000 0.252 380 D C -0.941 175.537 176.300 0.297 0.000 1.180 380 D CA -0.714 53.364 54.000 0.130 0.000 0.894 380 D CB 0.470 41.321 40.800 0.086 0.000 1.111 380 D HN -0.050 nan 8.370 nan 0.000 0.544 381 F N 0.086 120.107 119.950 0.118 0.000 2.662 381 F HA 0.818 5.366 4.527 0.035 0.000 0.312 381 F C -0.838 175.040 175.800 0.131 0.000 1.113 381 F CA -0.867 57.265 58.000 0.219 0.000 0.951 381 F CB 1.335 40.504 39.000 0.282 0.000 1.344 381 F HN 0.000 nan 8.300 nan 0.000 0.462 382 S N 1.043 116.926 115.700 0.306 0.000 2.638 382 S HA 0.592 5.083 4.470 0.035 0.000 0.274 382 S C -1.113 173.592 174.600 0.176 0.000 1.157 382 S CA -0.819 57.447 58.200 0.111 0.000 0.826 382 S CB 1.803 65.039 63.200 0.060 0.000 1.139 382 S HN 0.576 nan 8.310 nan 0.000 0.474 383 I N 2.061 122.678 120.570 0.079 0.000 2.648 383 I HA 0.190 4.382 4.170 0.035 0.000 0.284 383 I C 1.095 177.253 176.117 0.069 0.000 1.153 383 I CA -0.268 61.075 61.300 0.073 0.000 1.426 383 I CB -0.158 37.858 38.000 0.026 0.000 1.381 383 I HN 0.844 nan 8.210 nan 0.000 0.571 384 A N 9.252 132.114 122.820 0.070 0.000 2.565 384 A HA 0.216 4.557 4.320 0.035 0.000 0.237 384 A C -2.000 175.601 177.584 0.027 0.000 1.053 384 A CA -0.671 51.392 52.037 0.044 0.000 0.755 384 A CB -0.955 18.066 19.000 0.034 0.000 0.980 384 A HN 0.534 nan 8.150 nan 0.000 0.506 385 P HA 0.211 nan 4.420 nan 0.000 0.264 385 P C 1.019 178.323 177.300 0.008 0.000 1.193 385 P CA 1.488 64.594 63.100 0.010 0.000 0.763 385 P CB 0.610 32.313 31.700 0.006 0.000 0.810 386 G N 1.860 110.664 108.800 0.006 0.000 2.234 386 G HA2 -0.225 3.757 3.960 0.035 0.000 0.260 386 G HA3 -0.225 3.757 3.960 0.035 0.000 0.260 386 G C 0.442 175.346 174.900 0.007 0.000 0.987 386 G CA 0.131 45.234 45.100 0.005 0.000 0.625 386 G HN 0.890 nan 8.290 nan 0.000 0.532 387 A N -0.359 122.467 122.820 0.011 0.000 2.462 387 A HA 0.664 5.005 4.320 0.035 0.000 0.243 387 A C 0.288 177.878 177.584 0.009 0.000 1.076 387 A CA 0.664 52.709 52.037 0.013 0.000 0.773 387 A CB 0.363 19.376 19.000 0.022 0.000 1.010 387 A HN 0.521 nan 8.150 nan 0.000 0.493 388 Q N 1.227 121.031 119.800 0.007 0.000 2.341 388 Q HA 0.447 4.809 4.340 0.035 0.000 0.268 388 Q C -0.824 175.174 176.000 -0.003 0.000 1.013 388 Q CA -0.320 55.482 55.803 -0.002 0.000 0.798 388 Q CB 1.809 30.545 28.738 -0.003 0.000 1.253 388 Q HN 0.627 nan 8.270 nan 0.000 0.457 389 I N 2.593 123.154 120.570 -0.015 0.000 2.416 389 I HA 0.151 4.343 4.170 0.035 0.000 0.288 389 I C 0.077 176.164 176.117 -0.050 0.000 1.051 389 I CA -0.338 60.957 61.300 -0.008 0.000 1.375 389 I CB 0.871 38.877 38.000 0.010 0.000 1.407 389 I HN 0.603 nan 8.210 nan 0.000 0.516 390 Q N 6.610 126.419 119.800 0.014 0.000 2.290 390 Q HA 0.329 4.691 4.340 0.035 0.000 0.259 390 Q C -0.927 175.176 176.000 0.171 0.000 0.941 390 Q CA -0.173 55.650 55.803 0.034 0.000 0.912 390 Q CB 0.879 29.646 28.738 0.049 0.000 1.244 390 Q HN 0.576 nan 8.270 nan 0.000 0.441 391 H N 1.833 120.960 119.070 0.094 0.000 2.517 391 H HA 0.567 5.144 4.556 0.035 0.000 0.346 391 H C -0.494 174.908 175.328 0.124 0.000 1.222 391 H CA -1.090 55.038 56.048 0.134 0.000 1.314 391 H CB 1.397 31.314 29.762 0.259 0.000 1.609 391 H HN 0.519 nan 8.280 nan 0.000 0.571 392 K N 0.377 120.937 120.400 0.266 0.000 2.468 392 K HA 0.497 4.838 4.320 0.035 0.000 0.252 392 K C -1.178 175.552 176.600 0.217 0.000 0.932 392 K CA -0.884 55.519 56.287 0.193 0.000 0.794 392 K CB 2.537 35.111 32.500 0.125 0.000 1.241 392 K HN 0.339 nan 8.250 nan 0.000 0.428 393 S N 0.800 116.628 115.700 0.213 0.000 2.593 393 S HA 0.898 5.389 4.470 0.035 0.000 0.297 393 S C -0.293 174.408 174.600 0.167 0.000 1.112 393 S CA 0.244 58.592 58.200 0.246 0.000 1.043 393 S CB 1.340 64.730 63.200 0.317 0.000 1.054 393 S HN 0.969 nan 8.310 nan 0.000 0.516 394 G N 2.313 111.164 108.800 0.087 0.000 2.393 394 G HA2 0.219 4.200 3.960 0.035 0.000 0.264 394 G HA3 0.219 4.200 3.960 0.035 0.000 0.264 394 G C 0.343 175.135 174.900 -0.179 0.000 1.221 394 G CA -0.300 44.738 45.100 -0.104 0.000 0.912 394 G HN 0.614 nan 8.290 nan 0.000 0.483 395 I N -0.061 120.391 120.570 -0.197 0.000 2.208 395 I HA -0.038 4.153 4.170 0.035 0.000 0.245 395 I C 0.528 176.511 176.117 -0.224 0.000 1.097 395 I CA 1.283 62.397 61.300 -0.311 0.000 1.363 395 I CB -0.191 37.498 38.000 -0.519 0.000 1.051 395 I HN 0.023 nan 8.210 nan 0.000 0.413 396 V N 0.469 120.311 119.914 -0.120 0.000 2.487 396 V HA 0.272 4.414 4.120 0.035 0.000 0.298 396 V C -0.078 176.020 176.094 0.008 0.000 1.028 396 V CA -0.630 61.633 62.300 -0.061 0.000 0.860 396 V CB 1.639 33.447 31.823 -0.025 0.000 0.991 396 V HN 0.063 nan 8.190 nan 0.000 0.427 397 S N 2.373 118.096 115.700 0.038 0.000 2.632 397 S HA 0.869 5.360 4.470 0.035 0.000 0.271 397 S C 0.444 175.216 174.600 0.287 0.000 1.260 397 S CA 0.122 58.416 58.200 0.156 0.000 1.010 397 S CB 1.700 64.977 63.200 0.128 0.000 0.965 397 S HN 1.161 nan 8.310 nan 0.000 0.534 398 G N -0.323 108.617 108.800 0.234 0.000 2.682 398 G HA2 0.583 4.564 3.960 0.035 0.000 0.303 398 G HA3 0.583 4.564 3.960 0.035 0.000 0.303 398 G C -1.892 172.814 174.900 -0.322 0.000 1.341 398 G CA -0.478 44.562 45.100 -0.099 0.000 0.784 398 G HN 0.624 nan 8.290 nan 0.000 0.497 399 V N 0.854 120.506 119.914 -0.437 0.000 2.487 399 V HA 0.291 4.432 4.120 0.035 0.000 0.298 399 V C 0.843 176.887 176.094 -0.084 0.000 1.028 399 V CA -0.420 61.712 62.300 -0.280 0.000 0.860 399 V CB 1.399 32.953 31.823 -0.448 0.000 0.991 399 V HN 0.873 nan 8.190 nan 0.000 0.427 400 Q N 2.971 122.784 119.800 0.021 0.000 2.079 400 Q HA 0.190 4.551 4.340 0.035 0.000 0.200 400 Q C 0.649 176.661 176.000 0.021 0.000 0.974 400 Q CA 1.467 57.285 55.803 0.026 0.000 0.840 400 Q CB 0.339 29.106 28.738 0.048 0.000 0.898 400 Q HN 0.872 nan 8.270 nan 0.000 0.430 401 A N 0.256 123.094 122.820 0.031 0.000 2.589 401 A HA 0.564 4.905 4.320 0.035 0.000 0.296 401 A C -1.926 175.689 177.584 0.052 0.000 1.062 401 A CA -0.613 51.449 52.037 0.042 0.000 0.686 401 A CB 1.597 20.622 19.000 0.042 0.000 1.282 401 A HN 0.099 nan 8.150 nan 0.000 0.404 402 L N 2.793 124.064 121.223 0.080 0.000 2.489 402 L HA 0.488 4.849 4.340 0.035 0.000 0.257 402 L C -2.688 174.258 176.870 0.126 0.000 1.215 402 L CA -1.399 53.494 54.840 0.089 0.000 0.915 402 L CB 1.809 43.918 42.059 0.083 0.000 1.146 402 L HN 0.434 nan 8.230 nan 0.000 0.494 403 P HA 0.243 nan 4.420 nan 0.000 0.276 403 P C -0.904 176.475 177.300 0.132 0.000 1.264 403 P CA 0.112 63.277 63.100 0.108 0.000 0.769 403 P CB 0.886 32.626 31.700 0.066 0.000 0.840 404 L N 4.023 125.368 121.223 0.204 0.000 2.330 404 L HA 0.709 5.071 4.340 0.035 0.000 0.271 404 L C 0.556 177.574 176.870 0.247 0.000 1.013 404 L CA -1.213 53.809 54.840 0.303 0.000 0.816 404 L CB 2.105 44.445 42.059 0.468 0.000 1.287 404 L HN 0.210 nan 8.230 nan 0.000 0.435 405 V N -1.243 118.842 119.914 0.284 0.000 2.962 405 V HA 0.799 4.941 4.120 0.035 0.000 0.313 405 V C -1.576 174.739 176.094 0.368 0.000 1.099 405 V CA -0.621 61.722 62.300 0.071 0.000 0.971 405 V CB 1.785 33.607 31.823 -0.001 0.000 1.028 405 V HN 0.969 nan 8.190 nan 0.000 0.430 406 W N 0.584 121.956 121.300 0.119 0.000 3.066 406 W HA 0.734 5.415 4.660 0.035 0.000 0.330 406 W C -1.572 174.984 176.519 0.062 0.000 1.253 406 W CA -0.729 56.685 57.345 0.116 0.000 1.187 406 W CB 0.920 30.474 29.460 0.156 0.000 1.434 406 W HN 0.687 nan 8.180 nan 0.000 0.572 407 D N 2.060 122.625 120.400 0.275 0.000 2.339 407 D HA 0.336 4.997 4.640 0.035 0.000 0.241 407 D C -1.434 175.013 176.300 0.245 0.000 1.183 407 D CA -2.383 51.709 54.000 0.153 0.000 0.859 407 D CB 1.758 42.627 40.800 0.114 0.000 1.067 407 D HN 0.044 nan 8.370 nan 0.000 0.484 408 P HA -0.143 nan 4.420 nan 0.000 0.217 408 P C 0.899 178.278 177.300 0.132 0.000 1.148 408 P CA 1.303 64.529 63.100 0.209 0.000 0.828 408 P CB 0.149 31.909 31.700 0.099 0.000 0.783 409 A N -0.667 122.207 122.820 0.090 0.000 2.178 409 A HA -0.122 4.219 4.320 0.035 0.000 0.218 409 A C 1.917 179.537 177.584 0.061 0.000 1.157 409 A CA 1.936 54.010 52.037 0.061 0.000 0.689 409 A CB -1.561 17.465 19.000 0.043 0.000 0.787 409 A HN 0.357 nan 8.150 nan 0.000 0.465 410 T N -2.677 111.930 114.554 0.089 0.000 3.086 410 T HA 0.187 4.558 4.350 0.035 0.000 0.250 410 T C 0.773 175.498 174.700 0.043 0.000 1.074 410 T CA 0.575 62.717 62.100 0.069 0.000 0.988 410 T CB -0.735 68.188 68.868 0.092 0.000 0.988 410 T HN 0.492 nan 8.240 nan 0.000 0.530 411 T N -0.573 114.006 114.554 0.042 0.000 2.912 411 T HA 0.549 4.920 4.350 0.035 0.000 0.280 411 T C -0.676 174.004 174.700 -0.033 0.000 0.989 411 T CA -0.936 61.148 62.100 -0.027 0.000 0.995 411 T CB 1.940 70.790 68.868 -0.030 0.000 1.077 411 T HN 0.235 nan 8.240 nan 0.000 0.531 412 K N 0.735 121.092 120.400 -0.072 0.000 2.541 412 K HA 0.567 4.909 4.320 0.035 0.000 0.250 412 K C -0.924 175.634 176.600 -0.070 0.000 0.950 412 K CA -0.781 55.474 56.287 -0.054 0.000 0.805 412 K CB 1.860 34.332 32.500 -0.046 0.000 1.166 412 K HN 0.922 nan 8.250 nan 0.000 0.430 413 A N 3.885 126.676 122.820 -0.048 0.000 2.409 413 A HA 0.376 4.717 4.320 0.035 0.000 0.262 413 A C 0.140 177.700 177.584 -0.040 0.000 1.113 413 A CA -0.479 51.529 52.037 -0.048 0.000 0.790 413 A CB 0.552 19.535 19.000 -0.030 0.000 1.046 413 A HN 0.497 nan 8.150 nan 0.000 0.496 414 V N 0.000 119.887 119.914 -0.044 0.000 2.409 414 V HA 0.000 4.141 4.120 0.035 0.000 0.244 414 V CA 0.000 62.280 62.300 -0.033 0.000 1.235 414 V CB 0.000 31.802 31.823 -0.035 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556