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 2eup_1_A DATA FIRST_RESID 3 DATA SEQUENCE TLVHVASVEK GRSYEDFQKV YNAIALKLRE DDEYDNYIGY GPVLVRLAWH DATA SEQUENCE ISGTWDKHDN TGGSYGGTYR FKKEFNDPSN AGLQNGFKFL EPIHKEFPWI DATA SEQUENCE SSGDLFSLGG VTAVQEMQGP KIPWRCGRVD TPEDTTPDNG RLPDADKDAG DATA SEQUENCE YVRTFFQRLN MNDREVVALM GAHALGKTHL KNSGYEGPGG AANNVFTNEF DATA SEQUENCE YLNLLNEDWK LEKNDANNEQ WDSKSGYMML PTDYSLIQDP KYLSIVKEYA DATA SEQUENCE NDQDKFFKDF SKAFEKLLEN GITFPKDAPS PFIFKTLEEQ GL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.652 174.700 -0.080 0.000 1.109 3 T CA 0.000 62.068 62.100 -0.053 0.000 1.349 3 T CB 0.000 68.838 68.868 -0.050 0.000 0.612 4 L N 2.583 123.741 121.223 -0.109 0.000 2.361 4 L HA 0.563 4.903 4.340 -0.000 0.000 0.278 4 L C -0.771 175.925 176.870 -0.290 0.000 1.113 4 L CA -0.204 54.522 54.840 -0.191 0.000 0.849 4 L CB 0.366 42.303 42.059 -0.203 0.000 1.155 4 L HN 0.497 nan 8.230 nan 0.000 0.452 5 V N 4.090 123.821 119.914 -0.304 0.000 2.555 5 V HA 0.380 4.500 4.120 -0.000 0.000 0.302 5 V C -0.593 175.263 176.094 -0.397 0.000 1.038 5 V CA -0.810 61.307 62.300 -0.305 0.000 0.887 5 V CB 1.760 33.489 31.823 -0.157 0.000 0.991 5 V HN 0.546 nan 8.190 nan 0.000 0.434 6 H N 2.952 121.798 119.070 -0.374 0.000 2.786 6 H HA 0.455 5.011 4.556 -0.000 0.000 0.284 6 H C -0.630 174.314 175.328 -0.640 0.000 1.104 6 H CA -0.477 55.098 56.048 -0.789 0.000 1.339 6 H CB 1.654 30.596 29.762 -1.366 0.000 1.427 6 H HN 0.372 nan 8.280 nan 0.000 0.497 7 V N 2.430 122.222 119.914 -0.204 0.000 2.432 7 V HA 0.337 4.457 4.120 -0.000 0.000 0.275 7 V C 0.963 177.076 176.094 0.032 0.000 1.043 7 V CA -0.939 61.296 62.300 -0.110 0.000 0.925 7 V CB 0.978 32.778 31.823 -0.038 0.000 0.985 7 V HN 0.858 nan 8.190 nan 0.000 0.466 8 A N 4.176 126.931 122.820 -0.109 0.000 2.546 8 A HA 0.423 4.743 4.320 -0.000 0.000 0.243 8 A C 0.527 178.136 177.584 0.041 0.000 1.063 8 A CA 0.341 52.347 52.037 -0.053 0.000 0.757 8 A CB 0.248 19.059 19.000 -0.315 0.000 0.991 8 A HN 0.880 nan 8.150 nan 0.000 0.503 9 S N 2.540 118.285 115.700 0.074 0.000 2.774 9 S HA 0.431 4.901 4.470 -0.000 0.000 0.297 9 S C -0.486 174.177 174.600 0.106 0.000 1.143 9 S CA -0.616 57.635 58.200 0.085 0.000 1.090 9 S CB 0.431 63.685 63.200 0.091 0.000 1.019 9 S HN 0.769 nan 8.310 nan 0.000 0.482 10 V N 4.869 124.860 119.914 0.128 0.000 2.617 10 V HA 0.043 4.163 4.120 -0.000 0.000 0.304 10 V C 0.563 176.789 176.094 0.219 0.000 1.040 10 V CA 0.067 62.486 62.300 0.199 0.000 1.149 10 V CB -0.130 31.815 31.823 0.203 0.000 0.914 10 V HN 0.818 nan 8.190 nan 0.000 0.487 11 E N 3.486 123.880 120.200 0.324 0.000 2.558 11 E HA 0.004 4.354 4.350 -0.000 0.000 0.255 11 E C 0.272 176.970 176.600 0.163 0.000 0.968 11 E CA 0.259 56.831 56.400 0.286 0.000 0.939 11 E CB 0.169 30.151 29.700 0.470 0.000 0.921 11 E HN 0.519 nan 8.360 nan 0.000 0.477 12 K N 1.944 122.406 120.400 0.104 0.000 2.447 12 K HA 0.094 4.414 4.320 -0.000 0.000 0.281 12 K C 0.867 177.458 176.600 -0.015 0.000 1.031 12 K CA 0.934 57.252 56.287 0.052 0.000 1.019 12 K CB -0.040 32.486 32.500 0.044 0.000 0.918 12 K HN 0.713 nan 8.250 nan 0.000 0.476 13 G N 3.416 112.210 108.800 -0.011 0.000 2.179 13 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.260 13 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.260 13 G C -0.194 174.637 174.900 -0.114 0.000 0.977 13 G CA -0.132 44.933 45.100 -0.058 0.000 0.641 13 G HN 0.554 nan 8.290 nan 0.000 0.533 14 R N 0.653 121.091 120.500 -0.103 0.000 2.486 14 R HA 0.754 5.094 4.340 -0.000 0.000 0.286 14 R C 0.523 176.878 176.300 0.092 0.000 0.999 14 R CA 0.354 56.327 56.100 -0.212 0.000 0.993 14 R CB 1.522 31.535 30.300 -0.478 0.000 1.084 14 R HN 0.711 nan 8.270 nan 0.000 0.487 15 S N 0.282 116.016 115.700 0.057 0.000 2.811 15 S HA 0.181 4.651 4.470 -0.000 0.000 0.311 15 S C 0.851 175.579 174.600 0.213 0.000 1.152 15 S CA -0.757 57.581 58.200 0.230 0.000 0.864 15 S CB 0.579 63.855 63.200 0.126 0.000 1.226 15 S HN 0.644 nan 8.310 nan 0.000 0.541 16 Y N 1.661 121.875 120.300 -0.144 0.000 2.102 16 Y HA -0.224 4.326 4.550 -0.000 0.000 0.280 16 Y C 2.036 177.870 175.900 -0.110 0.000 1.178 16 Y CA 2.782 60.551 58.100 -0.551 0.000 1.146 16 Y CB -0.822 37.347 38.460 -0.485 0.000 0.968 16 Y HN 0.821 nan 8.280 nan 0.000 0.504 17 E N 0.359 120.485 120.200 -0.123 0.000 2.118 17 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 17 E C 1.918 178.411 176.600 -0.177 0.000 0.992 17 E CA 1.594 57.881 56.400 -0.188 0.000 0.804 17 E CB -0.350 29.321 29.700 -0.048 0.000 0.741 17 E HN 0.589 nan 8.360 nan 0.000 0.458 18 D N -0.338 119.952 120.400 -0.183 0.000 2.117 18 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 18 D C 1.699 177.890 176.300 -0.182 0.000 0.987 18 D CA 0.975 54.824 54.000 -0.251 0.000 0.829 18 D CB -0.217 40.192 40.800 -0.652 0.000 0.961 18 D HN 0.216 nan 8.370 nan 0.000 0.460 19 F N 0.883 120.848 119.950 0.024 0.000 2.259 19 F HA -0.087 4.440 4.527 -0.000 0.000 0.298 19 F C 2.636 178.160 175.800 -0.460 0.000 1.088 19 F CA 0.508 58.485 58.000 -0.039 0.000 1.358 19 F CB -0.467 38.712 39.000 0.297 0.000 1.040 19 F HN -0.129 nan 8.300 nan 0.000 0.505 20 Q N 1.152 120.797 119.800 -0.259 0.000 2.124 20 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 20 Q C 1.853 177.682 176.000 -0.285 0.000 0.977 20 Q CA 1.744 57.314 55.803 -0.389 0.000 0.850 20 Q CB -0.217 28.278 28.738 -0.405 0.000 0.901 20 Q HN 0.296 nan 8.270 nan 0.000 0.429 21 K N -0.979 119.279 120.400 -0.235 0.000 2.097 21 K HA -0.077 4.243 4.320 -0.000 0.000 0.205 21 K C 1.940 178.266 176.600 -0.456 0.000 1.050 21 K CA 1.331 57.512 56.287 -0.177 0.000 0.938 21 K CB 0.021 32.529 32.500 0.015 0.000 0.718 21 K HN 0.074 nan 8.250 nan 0.000 0.442 22 V N 0.537 119.980 119.914 -0.786 0.000 2.307 22 V HA -0.258 3.862 4.120 -0.000 0.000 0.245 22 V C 2.011 177.780 176.094 -0.543 0.000 1.045 22 V CA 1.590 63.273 62.300 -1.028 0.000 1.024 22 V CB -0.629 30.634 31.823 -0.933 0.000 0.651 22 V HN 0.254 nan 8.190 nan 0.000 0.449 23 Y N 1.954 121.860 120.300 -0.657 0.000 2.069 23 Y HA -0.338 4.212 4.550 -0.000 0.000 0.278 23 Y C 2.349 178.056 175.900 -0.321 0.000 1.175 23 Y CA 2.324 60.082 58.100 -0.569 0.000 1.134 23 Y CB -0.734 37.239 38.460 -0.812 0.000 0.965 23 Y HN 0.362 nan 8.280 nan 0.000 0.498 24 N N -0.253 118.464 118.700 0.028 0.000 2.166 24 N HA -0.188 4.552 4.740 -0.000 0.000 0.186 24 N C 1.990 177.480 175.510 -0.032 0.000 1.019 24 N CA 0.794 53.879 53.050 0.058 0.000 0.856 24 N CB -0.344 38.175 38.487 0.052 0.000 0.993 24 N HN 0.486 nan 8.380 nan 0.000 0.426 25 A N 1.427 124.215 122.820 -0.053 0.000 1.902 25 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 25 A C 2.126 179.658 177.584 -0.087 0.000 1.181 25 A CA 0.995 53.027 52.037 -0.009 0.000 0.623 25 A CB -0.604 18.492 19.000 0.161 0.000 0.818 25 A HN 0.176 nan 8.150 nan 0.000 0.443 26 I N -0.196 120.284 120.570 -0.151 0.000 2.179 26 I HA -0.297 3.873 4.170 -0.000 0.000 0.242 26 I C 2.971 179.053 176.117 -0.057 0.000 1.088 26 I CA 1.201 62.444 61.300 -0.095 0.000 1.357 26 I CB -0.378 37.507 38.000 -0.192 0.000 1.051 26 I HN 0.351 nan 8.210 nan 0.000 0.409 27 A N 0.746 123.447 122.820 -0.199 0.000 1.933 27 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 27 A C 2.303 179.876 177.584 -0.018 0.000 1.175 27 A CA 1.347 53.298 52.037 -0.143 0.000 0.628 27 A CB -0.784 18.107 19.000 -0.181 0.000 0.814 27 A HN 0.378 nan 8.150 nan 0.000 0.444 28 L N -0.844 120.370 121.223 -0.015 0.000 2.056 28 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 28 L C 2.618 179.494 176.870 0.009 0.000 1.078 28 L CA 1.792 56.636 54.840 0.005 0.000 0.749 28 L CB -0.321 41.736 42.059 -0.003 0.000 0.901 28 L HN 0.417 nan 8.230 nan 0.000 0.433 29 K N 0.427 120.816 120.400 -0.019 0.000 2.097 29 K HA -0.143 4.177 4.320 -0.000 0.000 0.205 29 K C 2.165 178.878 176.600 0.189 0.000 1.050 29 K CA 0.970 57.222 56.287 -0.057 0.000 0.938 29 K CB 0.008 32.259 32.500 -0.415 0.000 0.718 29 K HN 0.215 nan 8.250 nan 0.000 0.442 30 L N 0.646 122.056 121.223 0.312 0.000 2.042 30 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 30 L C 2.823 179.798 176.870 0.175 0.000 1.076 30 L CA 1.472 56.467 54.840 0.259 0.000 0.749 30 L CB -0.419 41.696 42.059 0.094 0.000 0.893 30 L HN 0.267 nan 8.230 nan 0.000 0.432 31 R N 0.287 120.856 120.500 0.115 0.000 2.081 31 R HA -0.230 4.110 4.340 -0.000 0.000 0.235 31 R C 2.200 178.564 176.300 0.106 0.000 1.131 31 R CA 1.931 58.087 56.100 0.095 0.000 0.960 31 R CB -0.163 30.176 30.300 0.066 0.000 0.856 31 R HN 0.394 nan 8.270 nan 0.000 0.436 32 E N 0.145 120.402 120.200 0.095 0.000 2.072 32 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 32 E C -0.086 176.591 176.600 0.128 0.000 0.985 32 E CA 1.180 57.630 56.400 0.084 0.000 0.801 32 E CB 0.112 29.834 29.700 0.038 0.000 0.750 32 E HN 0.259 nan 8.360 nan 0.000 0.452 33 D N 1.437 121.951 120.400 0.191 0.000 3.057 33 D HA -0.028 4.612 4.640 -0.000 0.000 0.246 33 D C -0.117 176.365 176.300 0.304 0.000 1.238 33 D CA 0.116 54.283 54.000 0.278 0.000 0.949 33 D CB 0.331 41.372 40.800 0.401 0.000 1.086 33 D HN 0.324 nan 8.370 nan 0.000 0.487 34 D N -0.839 119.690 120.400 0.216 0.000 2.340 34 D HA -0.095 4.545 4.640 -0.000 0.000 0.220 34 D C 0.926 177.337 176.300 0.185 0.000 1.039 34 D CA 0.317 54.439 54.000 0.204 0.000 0.866 34 D CB 0.165 41.074 40.800 0.182 0.000 0.913 34 D HN 0.279 nan 8.370 nan 0.000 0.523 35 E N -0.655 119.614 120.200 0.114 0.000 2.385 35 E HA -0.061 4.288 4.350 -0.000 0.000 0.194 35 E C 0.002 176.450 176.600 -0.254 0.000 1.013 35 E CA -0.343 55.962 56.400 -0.159 0.000 0.866 35 E CB -0.028 29.591 29.700 -0.136 0.000 0.832 35 E HN 0.336 nan 8.360 nan 0.000 0.500 36 Y N 2.731 122.919 120.300 -0.187 0.000 2.810 36 Y HA -0.126 4.424 4.550 0.000 0.000 0.332 36 Y C 0.318 176.038 175.900 -0.301 0.000 1.243 36 Y CA 0.310 58.226 58.100 -0.308 0.000 1.537 36 Y CB 0.228 38.297 38.460 -0.652 0.000 1.265 36 Y HN -0.023 nan 8.280 nan 0.000 0.572 37 D N 5.056 124.865 120.400 -0.985 0.000 2.746 37 D HA -0.285 4.355 4.640 -0.000 0.000 0.241 37 D C -0.556 175.525 176.300 -0.364 0.000 1.140 37 D CA 1.260 54.792 54.000 -0.780 0.000 0.707 37 D CB -1.402 38.819 40.800 -0.964 0.000 1.034 37 D HN 0.847 nan 8.370 nan 0.000 0.423 38 N N 0.693 119.186 118.700 -0.346 0.000 2.705 38 N HA -0.297 4.443 4.740 -0.000 0.000 0.255 38 N C 0.066 175.558 175.510 -0.030 0.000 1.008 38 N CA 1.470 54.390 53.050 -0.216 0.000 0.742 38 N CB -1.421 37.048 38.487 -0.029 0.000 0.906 38 N HN 0.703 nan 8.380 nan 0.000 0.541 39 Y N -3.977 116.297 120.300 -0.043 0.000 4.841 39 Y HA -0.300 4.250 4.550 0.000 0.000 0.242 39 Y C 1.631 177.533 175.900 0.005 0.000 1.002 39 Y CA 0.820 58.919 58.100 -0.001 0.000 2.011 39 Y CB -2.182 36.284 38.460 0.010 0.000 1.554 39 Y HN 0.397 nan 8.280 nan 0.000 0.618 40 I N -0.013 120.587 120.570 0.050 0.000 2.353 40 I HA 0.046 4.216 4.170 -0.000 0.000 0.248 40 I C 1.769 177.935 176.117 0.082 0.000 1.119 40 I CA 1.341 62.671 61.300 0.051 0.000 1.417 40 I CB -0.466 37.536 38.000 0.003 0.000 1.078 40 I HN 0.547 nan 8.210 nan 0.000 0.421 41 G N -0.262 108.597 108.800 0.098 0.000 2.795 41 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.664 41 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.664 41 G C -0.232 174.761 174.900 0.155 0.000 1.381 41 G CA -0.304 44.892 45.100 0.159 0.000 0.853 41 G HN 0.157 nan 8.290 nan 0.000 0.545 42 Y N 1.659 121.962 120.300 0.004 0.000 2.529 42 Y HA 0.231 4.781 4.550 -0.000 0.000 0.290 42 Y C 2.722 178.458 175.900 -0.273 0.000 1.177 42 Y CA 1.441 59.372 58.100 -0.281 0.000 1.305 42 Y CB 0.085 38.075 38.460 -0.784 0.000 1.047 42 Y HN 0.791 nan 8.280 nan 0.000 0.522 43 G N 1.475 110.260 108.800 -0.026 0.000 2.514 43 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 43 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 43 G C -0.557 174.335 174.900 -0.013 0.000 1.198 43 G CA 0.871 45.944 45.100 -0.046 0.000 0.780 43 G HN 0.269 nan 8.290 nan 0.000 0.565 44 P HA -0.076 nan 4.420 nan 0.000 0.215 44 P C 2.128 179.465 177.300 0.061 0.000 1.157 44 P CA 0.843 63.974 63.100 0.051 0.000 0.868 44 P CB -0.189 31.545 31.700 0.058 0.000 0.788 45 V N -0.698 119.253 119.914 0.062 0.000 2.626 45 V HA -0.177 3.943 4.120 -0.000 0.000 0.252 45 V C 2.085 178.177 176.094 -0.003 0.000 1.067 45 V CA 1.491 63.822 62.300 0.051 0.000 1.081 45 V CB -1.051 30.823 31.823 0.085 0.000 0.686 45 V HN 0.005 nan 8.190 nan 0.000 0.468 46 L N -1.050 120.145 121.223 -0.047 0.000 2.156 46 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 46 L C 2.453 179.357 176.870 0.056 0.000 1.095 46 L CA 1.064 55.870 54.840 -0.057 0.000 0.770 46 L CB -0.564 41.401 42.059 -0.156 0.000 0.914 46 L HN 0.218 nan 8.230 nan 0.000 0.439 47 V N -0.122 119.849 119.914 0.096 0.000 2.358 47 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 47 V C 2.663 178.938 176.094 0.302 0.000 1.047 47 V CA 1.720 64.151 62.300 0.218 0.000 1.035 47 V CB -0.606 31.294 31.823 0.130 0.000 0.658 47 V HN 0.435 nan 8.190 nan 0.000 0.452 48 R N -0.427 120.193 120.500 0.200 0.000 2.096 48 R HA -0.169 4.171 4.340 -0.000 0.000 0.235 48 R C 2.278 178.609 176.300 0.051 0.000 1.127 48 R CA 1.619 57.840 56.100 0.202 0.000 0.968 48 R CB -0.322 30.011 30.300 0.054 0.000 0.861 48 R HN 0.437 nan 8.270 nan 0.000 0.440 49 L N 0.657 121.865 121.223 -0.025 0.000 2.017 49 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 49 L C 2.236 179.084 176.870 -0.037 0.000 1.073 49 L CA 2.219 56.962 54.840 -0.161 0.000 0.745 49 L CB -0.756 41.163 42.059 -0.234 0.000 0.894 49 L HN 0.201 nan 8.230 nan 0.000 0.432 50 A N -0.434 122.464 122.820 0.130 0.000 1.933 50 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 50 A C 2.265 180.012 177.584 0.272 0.000 1.175 50 A CA 1.733 53.892 52.037 0.203 0.000 0.628 50 A CB -1.371 17.793 19.000 0.272 0.000 0.814 50 A HN 0.834 nan 8.150 nan 0.000 0.444 51 W N -0.104 121.329 121.300 0.222 0.000 2.409 51 W HA -0.165 4.495 4.660 -0.000 0.000 0.299 51 W C 1.752 178.461 176.519 0.317 0.000 1.203 51 W CA 1.593 59.108 57.345 0.283 0.000 1.298 51 W CB -0.682 29.009 29.460 0.384 0.000 1.127 51 W HN 0.569 nan 8.180 nan 0.000 0.528 52 H N 1.130 119.974 119.070 -0.378 0.000 2.457 52 H HA -0.134 4.422 4.556 0.000 0.000 0.294 52 H C 2.228 177.415 175.328 -0.235 0.000 1.064 52 H CA 1.721 57.439 56.048 -0.550 0.000 1.330 52 H CB 0.125 29.638 29.762 -0.414 0.000 1.395 52 H HN 0.299 nan 8.280 nan 0.000 0.541 53 I N -1.577 118.996 120.570 0.005 0.000 2.676 53 I HA -0.057 4.113 4.170 -0.000 0.000 0.259 53 I C 1.924 178.117 176.117 0.127 0.000 1.194 53 I CA 1.013 62.361 61.300 0.079 0.000 1.473 53 I CB 0.066 38.133 38.000 0.111 0.000 1.096 53 I HN -0.095 nan 8.210 nan 0.000 0.443 54 S N 1.146 116.921 115.700 0.126 0.000 2.439 54 S HA 0.193 4.663 4.470 -0.000 0.000 0.224 54 S C 1.951 176.674 174.600 0.205 0.000 1.029 54 S CA 0.695 58.994 58.200 0.166 0.000 0.946 54 S CB -0.316 62.992 63.200 0.181 0.000 0.797 54 S HN 0.674 nan 8.310 nan 0.000 0.504 55 G N 1.825 110.683 108.800 0.097 0.000 2.848 55 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.208 55 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.208 55 G C 1.326 176.268 174.900 0.071 0.000 1.152 55 G CA 1.100 46.252 45.100 0.086 0.000 0.789 55 G HN 0.595 nan 8.290 nan 0.000 0.531 56 T N -3.451 111.144 114.554 0.068 0.000 3.118 56 T HA -0.045 4.305 4.350 -0.000 0.000 0.260 56 T C 0.914 175.716 174.700 0.170 0.000 1.139 56 T CA -0.554 61.602 62.100 0.093 0.000 1.085 56 T CB -0.139 68.787 68.868 0.097 0.000 0.934 56 T HN 0.197 nan 8.240 nan 0.000 0.518 57 W N 3.038 124.361 121.300 0.038 0.000 2.231 57 W HA 0.369 5.029 4.660 -0.000 0.000 0.341 57 W C -0.510 176.012 176.519 0.005 0.000 1.298 57 W CA -0.423 56.947 57.345 0.041 0.000 1.266 57 W CB 0.276 29.771 29.460 0.058 0.000 1.172 57 W HN 0.028 nan 8.180 nan 0.000 0.568 58 D N 5.100 125.099 120.400 -0.668 0.000 2.471 58 D HA 0.080 4.720 4.640 -0.000 0.000 0.245 58 D C 0.989 176.548 176.300 -1.235 0.000 1.116 58 D CA -0.413 53.167 54.000 -0.699 0.000 0.853 58 D CB 1.279 41.901 40.800 -0.296 0.000 1.123 58 D HN 0.581 nan 8.370 nan 0.000 0.540 59 K N 3.167 122.729 120.400 -1.396 0.000 2.280 59 K HA -0.138 4.182 4.320 -0.000 0.000 0.202 59 K C 0.867 177.065 176.600 -0.671 0.000 1.047 59 K CA 1.052 56.531 56.287 -1.347 0.000 0.942 59 K CB -0.078 31.883 32.500 -0.898 0.000 0.739 59 K HN 0.471 nan 8.250 nan 0.000 0.457 60 H N 1.298 120.115 119.070 -0.422 0.000 2.436 60 H HA -0.039 4.517 4.556 -0.000 0.000 0.294 60 H C 0.561 175.774 175.328 -0.193 0.000 1.048 60 H CA 1.565 57.469 56.048 -0.239 0.000 1.353 60 H CB 0.235 29.883 29.762 -0.190 0.000 1.414 60 H HN 0.635 nan 8.280 nan 0.000 0.536 61 D N -1.833 118.502 120.400 -0.109 0.000 2.539 61 D HA -0.023 4.617 4.640 -0.000 0.000 0.232 61 D C 0.299 176.543 176.300 -0.092 0.000 1.256 61 D CA -0.331 53.618 54.000 -0.085 0.000 0.810 61 D CB -0.461 40.304 40.800 -0.057 0.000 1.090 61 D HN -0.048 nan 8.370 nan 0.000 0.519 62 N N 0.431 119.045 118.700 -0.142 0.000 2.714 62 N HA -0.179 4.561 4.740 -0.000 0.000 0.250 62 N C -0.664 174.918 175.510 0.120 0.000 1.117 62 N CA 1.338 54.424 53.050 0.060 0.000 0.719 62 N CB -1.664 36.860 38.487 0.062 0.000 1.081 62 N HN 0.633 nan 8.380 nan 0.000 0.557 63 T N -3.114 111.453 114.554 0.021 0.000 2.899 63 T HA 0.642 4.992 4.350 -0.000 0.000 0.284 63 T C 1.286 176.115 174.700 0.216 0.000 1.004 63 T CA 0.230 62.403 62.100 0.121 0.000 1.043 63 T CB 1.611 70.509 68.868 0.051 0.000 1.013 63 T HN 1.006 nan 8.240 nan 0.000 0.518 64 G N 0.480 109.438 108.800 0.263 0.000 2.598 64 G HA2 0.323 4.283 3.960 -0.000 0.000 0.244 64 G HA3 0.323 4.283 3.960 -0.000 0.000 0.244 64 G C 0.442 175.590 174.900 0.413 0.000 1.302 64 G CA 0.132 45.404 45.100 0.287 0.000 0.903 64 G HN 2.762 nan 8.290 nan 0.000 0.575 65 G N -2.721 106.305 108.800 0.377 0.000 2.796 65 G HA2 0.266 4.226 3.960 -0.000 0.000 0.571 65 G HA3 0.266 4.226 3.960 -0.000 0.000 0.571 65 G C 1.270 176.297 174.900 0.212 0.000 1.370 65 G CA 1.351 46.623 45.100 0.286 0.000 0.856 65 G HN 2.498 nan 8.290 nan 0.000 0.538 66 S N -1.289 114.499 115.700 0.147 0.000 2.453 66 S HA -0.090 4.380 4.470 -0.000 0.000 0.231 66 S C 1.911 176.604 174.600 0.155 0.000 1.005 66 S CA 1.831 60.127 58.200 0.160 0.000 0.949 66 S CB -0.293 62.980 63.200 0.121 0.000 0.774 66 S HN 1.328 nan 8.310 nan 0.000 0.510 67 Y N 2.853 123.144 120.300 -0.014 0.000 2.114 67 Y HA -0.022 4.528 4.550 -0.000 0.000 0.282 67 Y C 2.372 178.222 175.900 -0.083 0.000 1.165 67 Y CA 1.634 59.673 58.100 -0.101 0.000 1.148 67 Y CB -0.907 37.411 38.460 -0.236 0.000 0.972 67 Y HN 0.356 nan 8.280 nan 0.000 0.504 68 G N -1.470 107.383 108.800 0.087 0.000 2.813 68 G HA2 0.185 4.145 3.960 -0.000 0.000 0.209 68 G HA3 0.185 4.145 3.960 -0.000 0.000 0.209 68 G C 1.245 176.198 174.900 0.088 0.000 1.150 68 G CA 0.306 45.436 45.100 0.051 0.000 0.785 68 G HN 0.908 nan 8.290 nan 0.000 0.535 69 G N 0.375 109.254 108.800 0.131 0.000 2.225 69 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.267 69 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.267 69 G C 1.164 176.254 174.900 0.317 0.000 1.024 69 G CA 1.437 46.664 45.100 0.211 0.000 0.784 69 G HN 1.111 nan 8.290 nan 0.000 0.507 70 T N -3.385 111.373 114.554 0.339 0.000 3.118 70 T HA -0.027 4.323 4.350 -0.000 0.000 0.260 70 T C 1.767 176.669 174.700 0.337 0.000 1.139 70 T CA 1.287 63.621 62.100 0.390 0.000 1.085 70 T CB -0.128 68.987 68.868 0.412 0.000 0.934 70 T HN 0.679 nan 8.240 nan 0.000 0.518 71 Y N 3.421 123.864 120.300 0.239 0.000 2.384 71 Y HA -0.183 4.367 4.550 -0.000 0.000 0.289 71 Y C 2.450 178.411 175.900 0.102 0.000 1.152 71 Y CA 1.417 59.599 58.100 0.137 0.000 1.258 71 Y CB -0.294 38.141 38.460 -0.041 0.000 0.979 71 Y HN 0.299 nan 8.280 nan 0.000 0.549 72 R N -0.956 119.585 120.500 0.068 0.000 2.285 72 R HA -0.067 4.273 4.340 -0.000 0.000 0.213 72 R C -0.524 175.484 176.300 -0.487 0.000 1.068 72 R CA 0.374 56.337 56.100 -0.227 0.000 1.004 72 R CB -0.759 29.471 30.300 -0.116 0.000 0.873 72 R HN 0.187 nan 8.270 nan 0.000 0.467 73 F N 2.531 122.436 119.950 -0.074 0.000 2.397 73 F HA 0.250 4.777 4.527 0.000 0.000 0.331 73 F C 1.538 177.264 175.800 -0.123 0.000 1.090 73 F CA -1.564 56.383 58.000 -0.090 0.000 1.065 73 F CB 1.678 40.671 39.000 -0.011 0.000 1.184 73 F HN -0.129 nan 8.300 nan 0.000 0.499 74 K N 1.368 121.821 120.400 0.088 0.000 2.103 74 K HA -0.244 4.076 4.320 -0.000 0.000 0.207 74 K C 1.724 178.363 176.600 0.065 0.000 1.048 74 K CA 1.938 58.239 56.287 0.023 0.000 0.930 74 K CB -0.200 32.302 32.500 0.003 0.000 0.716 74 K HN 0.621 nan 8.250 nan 0.000 0.444 75 K N 1.271 121.716 120.400 0.075 0.000 2.063 75 K HA -0.241 4.079 4.320 -0.000 0.000 0.208 75 K C 2.236 178.872 176.600 0.059 0.000 1.048 75 K CA 2.033 58.355 56.287 0.057 0.000 0.928 75 K CB -0.007 32.522 32.500 0.048 0.000 0.713 75 K HN 0.435 nan 8.250 nan 0.000 0.442 76 E N -0.687 119.559 120.200 0.076 0.000 2.086 76 E HA -0.134 4.216 4.350 -0.000 0.000 0.190 76 E C 1.847 178.431 176.600 -0.027 0.000 0.975 76 E CA 0.459 56.898 56.400 0.065 0.000 0.813 76 E CB -0.181 29.598 29.700 0.131 0.000 0.768 76 E HN 0.333 nan 8.360 nan 0.000 0.457 77 F N 1.873 121.593 119.950 -0.384 0.000 2.154 77 F HA -0.166 4.361 4.527 -0.000 0.000 0.301 77 F C 1.378 177.036 175.800 -0.235 0.000 1.087 77 F CA 1.864 59.489 58.000 -0.625 0.000 1.274 77 F CB -0.013 38.569 39.000 -0.697 0.000 1.009 77 F HN 0.047 nan 8.300 nan 0.000 0.485 78 N N -0.517 118.192 118.700 0.015 0.000 2.280 78 N HA -0.056 4.684 4.740 -0.000 0.000 0.192 78 N C -0.354 175.155 175.510 -0.001 0.000 1.109 78 N CA -0.138 52.917 53.050 0.008 0.000 0.855 78 N CB -0.113 38.409 38.487 0.059 0.000 0.974 78 N HN 0.096 nan 8.380 nan 0.000 0.482 79 D N 1.656 122.057 120.400 0.002 0.000 2.531 79 D HA -0.034 4.606 4.640 -0.000 0.000 0.239 79 D C -1.477 174.831 176.300 0.015 0.000 1.144 79 D CA -1.492 52.517 54.000 0.016 0.000 0.869 79 D CB 1.058 41.874 40.800 0.027 0.000 1.160 79 D HN 0.072 nan 8.370 nan 0.000 0.484 80 P HA -0.116 nan 4.420 nan 0.000 0.217 80 P C 1.204 178.533 177.300 0.049 0.000 1.148 80 P CA 0.942 64.058 63.100 0.027 0.000 0.828 80 P CB 0.203 31.919 31.700 0.027 0.000 0.783 81 S N -0.818 114.911 115.700 0.049 0.000 2.442 81 S HA -0.090 4.380 4.470 -0.000 0.000 0.236 81 S C 1.368 176.073 174.600 0.174 0.000 1.007 81 S CA 1.014 59.261 58.200 0.078 0.000 0.965 81 S CB -0.748 62.436 63.200 -0.027 0.000 0.773 81 S HN 0.244 nan 8.310 nan 0.000 0.504 82 N N 1.310 120.088 118.700 0.129 0.000 2.270 82 N HA 0.285 5.025 4.740 -0.000 0.000 0.198 82 N C 0.034 175.565 175.510 0.036 0.000 1.117 82 N CA -0.006 53.135 53.050 0.152 0.000 0.845 82 N CB 0.071 38.656 38.487 0.163 0.000 0.980 82 N HN 0.307 nan 8.380 nan 0.000 0.486 83 A N -0.004 122.834 122.820 0.030 0.000 2.548 83 A HA 0.438 4.758 4.320 -0.000 0.000 0.247 83 A C 1.480 179.064 177.584 -0.000 0.000 1.067 83 A CA 0.871 52.906 52.037 -0.003 0.000 0.757 83 A CB -0.357 18.654 19.000 0.020 0.000 0.996 83 A HN 0.445 nan 8.150 nan 0.000 0.504 84 G N 1.257 110.038 108.800 -0.032 0.000 2.254 84 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.225 84 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.225 84 G C 0.862 175.753 174.900 -0.014 0.000 1.003 84 G CA 0.316 45.401 45.100 -0.025 0.000 0.622 84 G HN 0.766 nan 8.290 nan 0.000 0.507 85 L N 0.783 121.978 121.223 -0.046 0.000 2.376 85 L HA -0.007 4.333 4.340 -0.000 0.000 0.219 85 L C 2.874 179.748 176.870 0.007 0.000 1.133 85 L CA 1.582 56.387 54.840 -0.058 0.000 0.816 85 L CB -0.347 41.629 42.059 -0.139 0.000 0.933 85 L HN 0.318 nan 8.230 nan 0.000 0.449 86 Q N -0.018 119.747 119.800 -0.058 0.000 2.197 86 Q HA -0.203 4.137 4.340 -0.000 0.000 0.207 86 Q C 1.944 178.090 176.000 0.243 0.000 0.984 86 Q CA 1.397 57.231 55.803 0.052 0.000 0.869 86 Q CB -0.293 28.433 28.738 -0.021 0.000 0.906 86 Q HN 0.485 nan 8.270 nan 0.000 0.426 87 N N -0.240 118.563 118.700 0.172 0.000 2.120 87 N HA -0.120 4.620 4.740 -0.000 0.000 0.188 87 N C 1.817 177.461 175.510 0.224 0.000 1.024 87 N CA 1.533 54.713 53.050 0.216 0.000 0.852 87 N CB -0.486 38.118 38.487 0.195 0.000 1.003 87 N HN 0.423 nan 8.380 nan 0.000 0.424 88 G N 0.355 109.244 108.800 0.148 0.000 2.402 88 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 88 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 88 G C 1.407 176.404 174.900 0.162 0.000 1.162 88 G CA 0.131 45.282 45.100 0.085 0.000 0.777 88 G HN 0.262 nan 8.290 nan 0.000 0.539 89 F N 1.507 121.521 119.950 0.108 0.000 2.095 89 F HA -0.005 4.522 4.527 -0.000 0.000 0.298 89 F C 2.708 178.633 175.800 0.209 0.000 1.104 89 F CA 1.893 60.029 58.000 0.227 0.000 1.232 89 F CB -0.022 39.274 39.000 0.494 0.000 0.987 89 F HN 0.031 nan 8.300 nan 0.000 0.475 90 K N -0.710 119.889 120.400 0.332 0.000 2.097 90 K HA -0.208 4.112 4.320 -0.000 0.000 0.206 90 K C 2.036 178.621 176.600 -0.025 0.000 1.049 90 K CA 1.703 58.086 56.287 0.159 0.000 0.933 90 K CB -0.615 32.013 32.500 0.213 0.000 0.717 90 K HN 0.333 nan 8.250 nan 0.000 0.442 91 F N 1.638 121.450 119.950 -0.230 0.000 2.126 91 F HA -0.179 4.348 4.527 -0.000 0.000 0.299 91 F C 1.592 177.210 175.800 -0.303 0.000 1.096 91 F CA 1.437 59.176 58.000 -0.437 0.000 1.255 91 F CB -0.085 38.477 39.000 -0.729 0.000 0.997 91 F HN -0.100 nan 8.300 nan 0.000 0.479 92 L N -0.197 121.021 121.223 -0.008 0.000 2.395 92 L HA -0.086 4.254 4.340 -0.000 0.000 0.218 92 L C 2.201 178.940 176.870 -0.219 0.000 1.130 92 L CA 0.634 55.419 54.840 -0.090 0.000 0.826 92 L CB -0.667 41.392 42.059 0.001 0.000 0.941 92 L HN 0.195 nan 8.230 nan 0.000 0.451 93 E N 0.739 120.773 120.200 -0.276 0.000 2.049 93 E HA -0.219 4.131 4.350 -0.000 0.000 0.198 93 E C -0.590 175.911 176.600 -0.165 0.000 1.007 93 E CA 1.585 57.842 56.400 -0.238 0.000 0.809 93 E CB -0.860 28.723 29.700 -0.195 0.000 0.749 93 E HN 0.441 nan 8.360 nan 0.000 0.450 94 P HA -0.127 nan 4.420 nan 0.000 0.220 94 P C 1.334 178.539 177.300 -0.160 0.000 1.148 94 P CA 1.037 64.026 63.100 -0.184 0.000 0.803 94 P CB -0.052 31.511 31.700 -0.227 0.000 0.782 95 I N -0.478 119.996 120.570 -0.161 0.000 2.202 95 I HA -0.206 3.964 4.170 -0.000 0.000 0.242 95 I C 2.595 178.738 176.117 0.042 0.000 1.091 95 I CA 1.524 62.793 61.300 -0.052 0.000 1.368 95 I CB -1.868 36.069 38.000 -0.104 0.000 1.058 95 I HN 0.133 nan 8.210 nan 0.000 0.410 96 H N 1.022 120.001 119.070 -0.153 0.000 2.387 96 H HA -0.192 4.364 4.556 -0.000 0.000 0.299 96 H C 2.363 177.587 175.328 -0.172 0.000 1.090 96 H CA 1.369 57.312 56.048 -0.175 0.000 1.332 96 H CB 0.370 30.012 29.762 -0.200 0.000 1.386 96 H HN 0.194 nan 8.280 nan 0.000 0.516 97 K N 0.855 121.201 120.400 -0.090 0.000 2.097 97 K HA -0.183 4.137 4.320 -0.000 0.000 0.206 97 K C 2.117 178.592 176.600 -0.209 0.000 1.049 97 K CA 1.676 57.868 56.287 -0.159 0.000 0.933 97 K CB 0.055 32.471 32.500 -0.140 0.000 0.717 97 K HN 0.338 nan 8.250 nan 0.000 0.442 98 E N -0.780 119.263 120.200 -0.261 0.000 2.152 98 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 98 E C -0.426 175.696 176.600 -0.796 0.000 0.983 98 E CA 0.666 56.750 56.400 -0.527 0.000 0.818 98 E CB 0.227 29.546 29.700 -0.634 0.000 0.758 98 E HN 0.225 nan 8.360 nan 0.000 0.467 99 F N -0.089 119.716 119.950 -0.242 0.000 2.523 99 F HA 0.325 4.852 4.527 -0.000 0.000 0.322 99 F C -2.091 173.359 175.800 -0.584 0.000 1.361 99 F CA -2.141 55.558 58.000 -0.503 0.000 1.151 99 F CB 1.571 40.130 39.000 -0.735 0.000 1.391 99 F HN -0.032 nan 8.300 nan 0.000 0.566 100 P HA -0.136 nan 4.420 nan 0.000 0.226 100 P C 1.631 178.854 177.300 -0.129 0.000 1.153 100 P CA 1.042 63.998 63.100 -0.241 0.000 0.777 100 P CB -0.123 31.481 31.700 -0.159 0.000 0.794 101 W N -0.747 120.580 121.300 0.045 0.000 2.519 101 W HA 0.117 4.777 4.660 -0.000 0.000 0.266 101 W C 0.621 177.198 176.519 0.098 0.000 1.253 101 W CA -0.366 57.008 57.345 0.048 0.000 1.274 101 W CB -1.308 28.168 29.460 0.026 0.000 1.114 101 W HN -0.092 nan 8.180 nan 0.000 0.596 102 I N 3.860 124.249 120.570 -0.302 0.000 2.575 102 I HA 0.013 4.182 4.170 -0.000 0.000 0.285 102 I C 1.156 177.333 176.117 0.099 0.000 1.085 102 I CA -0.040 61.185 61.300 -0.125 0.000 1.403 102 I CB 1.075 38.756 38.000 -0.531 0.000 1.409 102 I HN -0.105 nan 8.210 nan 0.000 0.557 103 S N 4.325 120.091 115.700 0.111 0.000 2.593 103 S HA 0.126 4.596 4.470 -0.000 0.000 0.269 103 S C 1.002 175.493 174.600 -0.182 0.000 1.334 103 S CA -0.372 57.839 58.200 0.017 0.000 1.015 103 S CB 1.585 64.775 63.200 -0.017 0.000 0.912 103 S HN 0.736 nan 8.310 nan 0.000 0.541 104 S N 2.189 117.735 115.700 -0.256 0.000 2.356 104 S HA -0.019 4.451 4.470 -0.000 0.000 0.223 104 S C 2.145 176.227 174.600 -0.863 0.000 1.032 104 S CA 1.364 59.151 58.200 -0.688 0.000 1.005 104 S CB -1.218 61.720 63.200 -0.437 0.000 0.867 104 S HN 0.962 nan 8.310 nan 0.000 0.449 105 G N 1.628 110.223 108.800 -0.341 0.000 2.418 105 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 105 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 105 G C 1.035 175.930 174.900 -0.009 0.000 1.158 105 G CA 1.089 46.127 45.100 -0.104 0.000 0.771 105 G HN 0.377 nan 8.290 nan 0.000 0.545 106 D N -0.069 120.344 120.400 0.023 0.000 2.117 106 D HA -0.084 4.556 4.640 -0.000 0.000 0.197 106 D C 2.362 178.763 176.300 0.168 0.000 0.987 106 D CA 0.490 54.683 54.000 0.320 0.000 0.829 106 D CB -0.289 40.778 40.800 0.444 0.000 0.961 106 D HN 0.237 nan 8.370 nan 0.000 0.460 107 L N -0.031 121.082 121.223 -0.183 0.000 2.027 107 L HA -0.113 4.227 4.340 -0.000 0.000 0.206 107 L C 1.910 178.715 176.870 -0.108 0.000 1.074 107 L CA 1.514 56.172 54.840 -0.304 0.000 0.745 107 L CB -0.644 41.027 42.059 -0.647 0.000 0.898 107 L HN -0.116 nan 8.230 nan 0.000 0.433 108 F N -0.014 119.911 119.950 -0.042 0.000 2.146 108 F HA -0.146 4.381 4.527 -0.000 0.000 0.298 108 F C 2.908 178.724 175.800 0.027 0.000 1.096 108 F CA 1.120 59.111 58.000 -0.014 0.000 1.275 108 F CB -1.814 37.196 39.000 0.017 0.000 1.008 108 F HN 0.326 nan 8.300 nan 0.000 0.480 109 S N 0.382 116.249 115.700 0.279 0.000 2.368 109 S HA -0.164 4.306 4.470 -0.000 0.000 0.224 109 S C 2.028 176.732 174.600 0.172 0.000 1.029 109 S CA 0.992 59.356 58.200 0.274 0.000 0.988 109 S CB -1.121 62.315 63.200 0.392 0.000 0.838 109 S HN 0.263 nan 8.310 nan 0.000 0.462 110 L N 2.943 124.155 121.223 -0.017 0.000 2.131 110 L HA 0.157 4.497 4.340 -0.000 0.000 0.210 110 L C 2.414 179.138 176.870 -0.244 0.000 1.092 110 L CA 1.788 56.347 54.840 -0.469 0.000 0.759 110 L CB -1.449 40.142 42.059 -0.779 0.000 0.903 110 L HN 0.402 nan 8.230 nan 0.000 0.435 111 G N -1.032 107.702 108.800 -0.111 0.000 2.440 111 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 111 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 111 G C 1.520 176.403 174.900 -0.028 0.000 1.154 111 G CA 0.639 45.691 45.100 -0.081 0.000 0.767 111 G HN 0.585 nan 8.290 nan 0.000 0.552 112 G N 0.256 109.115 108.800 0.098 0.000 2.402 112 G HA2 -0.117 3.842 3.960 -0.000 0.000 0.216 112 G HA3 -0.117 3.842 3.960 -0.000 0.000 0.216 112 G C 1.783 176.849 174.900 0.277 0.000 1.162 112 G CA 1.133 46.384 45.100 0.253 0.000 0.777 112 G HN 0.318 nan 8.290 nan 0.000 0.539 113 V N 1.093 121.160 119.914 0.255 0.000 2.295 113 V HA -0.196 3.924 4.120 -0.000 0.000 0.246 113 V C 3.190 179.346 176.094 0.104 0.000 1.049 113 V CA 2.410 64.856 62.300 0.244 0.000 1.024 113 V CB -0.913 31.043 31.823 0.221 0.000 0.648 113 V HN 0.400 nan 8.190 nan 0.000 0.447 114 T N 0.369 114.880 114.554 -0.071 0.000 2.708 114 T HA -0.180 4.170 4.350 -0.000 0.000 0.266 114 T C 2.070 176.643 174.700 -0.212 0.000 1.037 114 T CA 1.644 63.541 62.100 -0.339 0.000 1.146 114 T CB -0.486 67.961 68.868 -0.701 0.000 0.865 114 T HN 0.576 nan 8.240 nan 0.000 0.435 115 A N 1.072 123.808 122.820 -0.140 0.000 1.883 115 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 115 A C 2.615 180.147 177.584 -0.088 0.000 1.186 115 A CA 1.596 53.571 52.037 -0.103 0.000 0.624 115 A CB -1.149 17.806 19.000 -0.075 0.000 0.822 115 A HN 0.347 nan 8.150 nan 0.000 0.444 116 V N 0.038 119.880 119.914 -0.119 0.000 2.287 116 V HA -0.334 3.786 4.120 -0.000 0.000 0.248 116 V C 2.685 178.624 176.094 -0.259 0.000 1.053 116 V CA 2.343 64.462 62.300 -0.302 0.000 1.027 116 V CB -0.921 30.608 31.823 -0.490 0.000 0.646 116 V HN 0.646 nan 8.190 nan 0.000 0.447 117 Q N -0.746 118.990 119.800 -0.106 0.000 2.079 117 Q HA -0.175 4.165 4.340 -0.000 0.000 0.200 117 Q C 2.278 178.294 176.000 0.028 0.000 0.974 117 Q CA 1.195 56.990 55.803 -0.014 0.000 0.840 117 Q CB -0.163 28.679 28.738 0.174 0.000 0.898 117 Q HN 0.597 nan 8.270 nan 0.000 0.430 118 E N 0.310 120.523 120.200 0.022 0.000 2.274 118 E HA -0.058 4.292 4.350 -0.000 0.000 0.194 118 E C 1.360 177.977 176.600 0.029 0.000 0.996 118 E CA 0.737 57.155 56.400 0.031 0.000 0.840 118 E CB 0.045 29.733 29.700 -0.020 0.000 0.772 118 E HN 0.439 nan 8.360 nan 0.000 0.491 119 M N 0.653 120.260 119.600 0.012 0.000 2.581 119 M HA 0.010 4.490 4.480 -0.000 0.000 0.224 119 M C -0.306 176.042 176.300 0.080 0.000 1.171 119 M CA 0.246 55.576 55.300 0.050 0.000 0.993 119 M CB 0.296 32.936 32.600 0.067 0.000 1.685 119 M HN -0.159 nan 8.290 nan 0.000 0.479 120 Q N -1.562 118.272 119.800 0.056 0.000 2.493 120 Q HA -0.118 4.222 4.340 -0.000 0.000 0.260 120 Q C 0.258 176.310 176.000 0.087 0.000 0.905 120 Q CA 0.962 56.821 55.803 0.094 0.000 1.140 120 Q CB -2.525 26.296 28.738 0.139 0.000 1.435 120 Q HN 0.699 nan 8.270 nan 0.000 0.581 121 G N 1.243 109.951 108.800 -0.154 0.000 2.535 121 G HA2 0.546 4.505 3.960 -0.000 0.000 0.282 121 G HA3 0.546 4.505 3.960 -0.000 0.000 0.282 121 G C -2.138 172.403 174.900 -0.599 0.000 1.350 121 G CA -0.693 44.002 45.100 -0.675 0.000 1.039 121 G HN 0.071 nan 8.290 nan 0.000 0.509 122 P HA 0.167 nan 4.420 nan 0.000 0.272 122 P C -0.572 176.593 177.300 -0.224 0.000 1.230 122 P CA -0.435 62.423 63.100 -0.403 0.000 0.788 122 P CB 0.703 32.144 31.700 -0.432 0.000 0.949 123 K N 1.805 122.162 120.400 -0.072 0.000 2.448 123 K HA 0.192 4.512 4.320 -0.000 0.000 0.278 123 K C 0.213 176.809 176.600 -0.007 0.000 1.009 123 K CA 0.110 56.388 56.287 -0.015 0.000 0.995 123 K CB -0.029 32.476 32.500 0.008 0.000 0.917 123 K HN 0.404 nan 8.250 nan 0.000 0.481 124 I N 5.643 126.249 120.570 0.059 0.000 2.390 124 I HA 0.223 4.393 4.170 -0.000 0.000 0.283 124 I C -2.233 173.966 176.117 0.136 0.000 1.016 124 I CA -2.919 58.446 61.300 0.109 0.000 1.151 124 I CB 0.989 39.121 38.000 0.221 0.000 1.293 124 I HN 0.147 nan 8.210 nan 0.000 0.458 125 P HA 0.020 nan 4.420 nan 0.000 0.266 125 P C -1.034 176.336 177.300 0.116 0.000 1.195 125 P CA 0.204 63.322 63.100 0.030 0.000 0.768 125 P CB 0.522 32.182 31.700 -0.067 0.000 0.838 126 W N 3.924 125.159 121.300 -0.107 0.000 3.097 126 W HA 0.434 5.094 4.660 0.000 0.000 0.335 126 W C -1.051 175.343 176.519 -0.209 0.000 1.114 126 W CA -0.619 56.694 57.345 -0.053 0.000 1.231 126 W CB 1.687 31.268 29.460 0.201 0.000 1.388 126 W HN 0.211 nan 8.180 nan 0.000 0.485 127 R N 4.598 124.486 120.500 -1.021 0.000 2.514 127 R HA 0.576 4.916 4.340 -0.000 0.000 0.301 127 R C 0.078 175.423 176.300 -1.593 0.000 0.962 127 R CA -0.725 54.671 56.100 -1.172 0.000 0.882 127 R CB 1.161 30.830 30.300 -1.052 0.000 1.143 127 R HN 0.661 nan 8.270 nan 0.000 0.452 128 C N -0.436 118.130 119.300 -1.223 0.000 2.396 128 C HA 0.863 5.323 4.460 -0.000 0.000 0.359 128 C C 1.371 176.211 174.990 -0.249 0.000 1.307 128 C CA 0.532 59.064 59.018 -0.810 0.000 2.392 128 C CB 0.416 27.794 27.740 -0.605 0.000 2.245 128 C HN 1.051 nan 8.230 nan 0.000 0.615 129 G N 0.508 109.271 108.800 -0.063 0.000 2.183 129 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.168 129 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.168 129 G C -0.009 174.840 174.900 -0.084 0.000 1.008 129 G CA -0.262 44.842 45.100 0.008 0.000 0.677 129 G HN 0.973 nan 8.290 nan 0.000 0.498 130 R N -0.119 120.284 120.500 -0.163 0.000 2.623 130 R HA 0.462 4.802 4.340 -0.000 0.000 0.271 130 R C -0.127 175.852 176.300 -0.535 0.000 1.043 130 R CA 0.178 56.002 56.100 -0.461 0.000 1.083 130 R CB 1.150 31.292 30.300 -0.264 0.000 0.974 130 R HN 0.095 nan 8.270 nan 0.000 0.436 131 V N 2.881 122.168 119.914 -1.045 0.000 2.487 131 V HA 0.090 4.210 4.120 -0.000 0.000 0.298 131 V C -0.577 175.271 176.094 -0.409 0.000 1.028 131 V CA -1.011 60.976 62.300 -0.522 0.000 0.860 131 V CB 1.914 33.562 31.823 -0.292 0.000 0.991 131 V HN 0.676 nan 8.190 nan 0.000 0.427 132 D N 3.265 123.571 120.400 -0.157 0.000 2.493 132 D HA 0.322 4.962 4.640 -0.000 0.000 0.240 132 D C 0.562 176.888 176.300 0.042 0.000 1.142 132 D CA 0.577 54.554 54.000 -0.038 0.000 0.872 132 D CB 0.995 41.806 40.800 0.018 0.000 1.173 132 D HN 0.802 nan 8.370 nan 0.000 0.467 133 T N -0.573 114.054 114.554 0.122 0.000 2.942 133 T HA 0.723 5.073 4.350 -0.000 0.000 0.289 133 T C -2.672 172.183 174.700 0.258 0.000 1.044 133 T CA -2.103 60.100 62.100 0.173 0.000 1.023 133 T CB 1.871 70.843 68.868 0.173 0.000 1.123 133 T HN -0.049 nan 8.240 nan 0.000 0.512 134 P HA 0.285 nan 4.420 nan 0.000 0.274 134 P C 0.750 177.942 177.300 -0.179 0.000 1.256 134 P CA -0.484 62.661 63.100 0.076 0.000 0.795 134 P CB 0.515 32.226 31.700 0.019 0.000 1.038 135 E N 0.598 120.380 120.200 -0.698 0.000 2.160 135 E HA -0.245 4.105 4.350 -0.000 0.000 0.195 135 E C 1.018 177.322 176.600 -0.493 0.000 0.991 135 E CA 1.369 56.995 56.400 -1.291 0.000 0.810 135 E CB -0.215 28.737 29.700 -1.246 0.000 0.742 135 E HN 0.476 nan 8.360 nan 0.000 0.466 136 D N -0.494 119.752 120.400 -0.257 0.000 2.378 136 D HA -0.120 4.520 4.640 -0.000 0.000 0.227 136 D C 1.530 177.804 176.300 -0.043 0.000 1.012 136 D CA 1.314 55.243 54.000 -0.119 0.000 0.905 136 D CB -0.442 40.312 40.800 -0.076 0.000 0.895 136 D HN 0.215 nan 8.370 nan 0.000 0.532 137 T N -3.807 110.740 114.554 -0.012 0.000 3.107 137 T HA 0.067 4.417 4.350 -0.000 0.000 0.249 137 T C 0.713 175.478 174.700 0.108 0.000 1.096 137 T CA -0.336 61.810 62.100 0.077 0.000 1.012 137 T CB -0.702 68.249 68.868 0.138 0.000 0.977 137 T HN -0.088 nan 8.240 nan 0.000 0.527 138 T N 5.774 120.375 114.554 0.077 0.000 2.853 138 T HA 0.277 4.627 4.350 -0.000 0.000 0.298 138 T C -2.339 172.420 174.700 0.099 0.000 0.978 138 T CA -0.835 61.345 62.100 0.133 0.000 1.152 138 T CB 0.782 69.724 68.868 0.123 0.000 0.914 138 T HN 0.318 nan 8.240 nan 0.000 0.539 139 P HA 0.201 nan 4.420 nan 0.000 0.271 139 P C -0.354 176.984 177.300 0.064 0.000 1.218 139 P CA -0.530 62.621 63.100 0.085 0.000 0.780 139 P CB 0.657 32.415 31.700 0.097 0.000 0.901 140 D N 1.526 121.951 120.400 0.042 0.000 2.400 140 D HA 0.051 4.691 4.640 -0.000 0.000 0.238 140 D C 0.558 176.878 176.300 0.034 0.000 1.157 140 D CA 0.445 54.464 54.000 0.032 0.000 0.889 140 D CB 0.124 40.936 40.800 0.021 0.000 1.199 140 D HN 0.273 nan 8.370 nan 0.000 0.436 141 N N -0.096 118.622 118.700 0.030 0.000 2.381 141 N HA 0.315 5.055 4.740 -0.000 0.000 0.241 141 N C 1.280 176.806 175.510 0.027 0.000 1.279 141 N CA 0.830 53.896 53.050 0.026 0.000 0.896 141 N CB 0.623 39.125 38.487 0.024 0.000 1.118 141 N HN 0.607 nan 8.380 nan 0.000 0.438 142 G N 0.048 108.864 108.800 0.026 0.000 2.163 142 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.213 142 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.213 142 G C 0.814 175.755 174.900 0.068 0.000 0.991 142 G CA -0.131 44.995 45.100 0.044 0.000 0.653 142 G HN 0.556 nan 8.290 nan 0.000 0.518 143 R N -0.615 119.919 120.500 0.055 0.000 2.300 143 R HA 0.376 4.716 4.340 -0.000 0.000 0.199 143 R C 0.964 177.374 176.300 0.184 0.000 0.920 143 R CA 0.082 56.239 56.100 0.094 0.000 1.046 143 R CB 0.247 30.574 30.300 0.045 0.000 0.984 143 R HN 0.387 nan 8.270 nan 0.000 0.493 144 L N 2.315 123.563 121.223 0.040 0.000 2.399 144 L HA 0.370 4.710 4.340 -0.000 0.000 0.265 144 L C -2.011 174.784 176.870 -0.125 0.000 1.089 144 L CA -2.256 52.519 54.840 -0.108 0.000 0.802 144 L CB 0.873 42.663 42.059 -0.448 0.000 1.180 144 L HN -0.144 nan 8.230 nan 0.000 0.454 145 P HA 0.165 nan 4.420 nan 0.000 0.282 145 P C -1.420 175.854 177.300 -0.044 0.000 1.249 145 P CA -0.576 62.259 63.100 -0.442 0.000 0.806 145 P CB 0.949 32.044 31.700 -1.008 0.000 0.984 146 D N 1.022 121.464 120.400 0.070 0.000 2.341 146 D HA 0.255 4.895 4.640 -0.000 0.000 0.245 146 D C 0.950 177.236 176.300 -0.022 0.000 1.106 146 D CA -0.199 53.793 54.000 -0.013 0.000 0.905 146 D CB 0.984 41.684 40.800 -0.166 0.000 1.202 146 D HN 0.361 nan 8.370 nan 0.000 0.426 147 A N 1.337 124.165 122.820 0.013 0.000 2.303 147 A HA -0.029 4.291 4.320 -0.000 0.000 0.217 147 A C 1.024 178.593 177.584 -0.024 0.000 1.205 147 A CA -0.057 51.961 52.037 -0.033 0.000 0.875 147 A CB 0.090 18.969 19.000 -0.201 0.000 0.910 147 A HN 0.493 nan 8.150 nan 0.000 0.501 148 D N -0.250 120.161 120.400 0.018 0.000 2.328 148 D HA 0.037 4.677 4.640 -0.000 0.000 0.226 148 D C 0.359 176.652 176.300 -0.012 0.000 1.066 148 D CA 0.263 54.297 54.000 0.055 0.000 0.861 148 D CB 0.172 41.023 40.800 0.086 0.000 0.912 148 D HN 0.102 nan 8.370 nan 0.000 0.521 149 K N 0.664 121.014 120.400 -0.083 0.000 2.393 149 K HA 0.313 4.633 4.320 -0.000 0.000 0.241 149 K C 0.268 176.924 176.600 0.094 0.000 1.055 149 K CA -0.555 55.672 56.287 -0.099 0.000 0.951 149 K CB 0.856 33.050 32.500 -0.510 0.000 1.285 149 K HN 0.135 nan 8.250 nan 0.000 0.500 150 D N -1.640 118.861 120.400 0.169 0.000 2.569 150 D HA 0.333 4.973 4.640 -0.000 0.000 0.266 150 D C 0.708 177.185 176.300 0.294 0.000 1.164 150 D CA -0.598 53.533 54.000 0.218 0.000 1.071 150 D CB 0.350 41.259 40.800 0.182 0.000 1.183 150 D HN 0.316 nan 8.370 nan 0.000 0.613 151 A N -0.315 122.668 122.820 0.272 0.000 1.933 151 A HA 0.065 4.385 4.320 -0.000 0.000 0.218 151 A C 2.059 179.836 177.584 0.322 0.000 1.175 151 A CA 2.093 54.342 52.037 0.352 0.000 0.628 151 A CB -1.554 17.620 19.000 0.291 0.000 0.814 151 A HN 0.669 nan 8.150 nan 0.000 0.444 152 G N -1.604 107.333 108.800 0.229 0.000 2.418 152 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 152 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 152 G C 1.543 176.589 174.900 0.243 0.000 1.158 152 G CA 1.270 46.484 45.100 0.191 0.000 0.771 152 G HN 0.633 nan 8.290 nan 0.000 0.545 153 Y N 1.130 121.539 120.300 0.182 0.000 2.181 153 Y HA -0.116 4.434 4.550 -0.000 0.000 0.288 153 Y C 2.782 178.847 175.900 0.275 0.000 1.146 153 Y CA 1.673 59.891 58.100 0.197 0.000 1.164 153 Y CB -0.247 38.309 38.460 0.160 0.000 0.982 153 Y HN 0.035 nan 8.280 nan 0.000 0.515 154 V N 1.106 121.259 119.914 0.399 0.000 2.295 154 V HA -0.326 3.794 4.120 -0.000 0.000 0.246 154 V C 2.546 178.922 176.094 0.470 0.000 1.049 154 V CA 2.380 64.939 62.300 0.431 0.000 1.024 154 V CB -0.776 31.327 31.823 0.466 0.000 0.648 154 V HN 0.382 nan 8.190 nan 0.000 0.447 155 R N -0.341 120.411 120.500 0.420 0.000 2.081 155 R HA -0.166 4.174 4.340 -0.000 0.000 0.235 155 R C 2.364 178.805 176.300 0.236 0.000 1.131 155 R CA 2.118 58.434 56.100 0.360 0.000 0.960 155 R CB -0.459 29.976 30.300 0.225 0.000 0.856 155 R HN 0.515 nan 8.270 nan 0.000 0.436 156 T N 0.516 115.153 114.554 0.138 0.000 2.777 156 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 156 T C 1.253 175.944 174.700 -0.015 0.000 1.040 156 T CA 1.352 63.482 62.100 0.049 0.000 1.141 156 T CB -0.316 68.563 68.868 0.017 0.000 0.868 156 T HN 0.272 nan 8.240 nan 0.000 0.444 157 F N 1.096 120.924 119.950 -0.203 0.000 2.069 157 F HA -0.070 4.457 4.527 0.000 0.000 0.298 157 F C 1.658 177.383 175.800 -0.126 0.000 1.113 157 F CA 1.324 59.154 58.000 -0.285 0.000 1.214 157 F CB -0.436 38.251 39.000 -0.522 0.000 0.978 157 F HN 0.094 nan 8.300 nan 0.000 0.474 158 F N 0.380 120.408 119.950 0.131 0.000 2.407 158 F HA -0.099 4.428 4.527 -0.000 0.000 0.299 158 F C 2.410 178.222 175.800 0.020 0.000 1.097 158 F CA 0.832 58.903 58.000 0.119 0.000 1.422 158 F CB -0.654 38.494 39.000 0.246 0.000 1.067 158 F HN 0.040 nan 8.300 nan 0.000 0.539 159 Q N 0.078 119.970 119.800 0.152 0.000 2.291 159 Q HA -0.158 4.181 4.340 -0.000 0.000 0.205 159 Q C 2.326 178.319 176.000 -0.011 0.000 0.970 159 Q CA 0.829 56.681 55.803 0.081 0.000 0.876 159 Q CB -0.367 28.410 28.738 0.064 0.000 0.935 159 Q HN 0.385 nan 8.270 nan 0.000 0.455 160 R N 0.088 120.515 120.500 -0.123 0.000 2.152 160 R HA -0.032 4.308 4.340 -0.000 0.000 0.232 160 R C 1.425 177.635 176.300 -0.151 0.000 1.117 160 R CA 0.625 56.610 56.100 -0.193 0.000 0.981 160 R CB 0.079 30.185 30.300 -0.323 0.000 0.870 160 R HN 0.207 nan 8.270 nan 0.000 0.451 161 L N 0.266 121.505 121.223 0.027 0.000 2.653 161 L HA 0.143 4.483 4.340 -0.000 0.000 0.231 161 L C -0.027 177.082 176.870 0.399 0.000 1.153 161 L CA -0.184 54.868 54.840 0.353 0.000 0.933 161 L CB -0.126 42.163 42.059 0.384 0.000 1.175 161 L HN 0.187 nan 8.230 nan 0.000 0.473 162 N N 0.392 119.240 118.700 0.246 0.000 2.708 162 N HA -0.175 4.565 4.740 -0.000 0.000 0.249 162 N C -0.286 175.329 175.510 0.175 0.000 1.097 162 N CA 0.822 53.990 53.050 0.197 0.000 0.710 162 N CB -0.329 38.297 38.487 0.233 0.000 1.032 162 N HN 0.159 nan 8.380 nan 0.000 0.551 163 M N 0.413 120.139 119.600 0.209 0.000 2.300 163 M HA 0.301 4.781 4.480 -0.000 0.000 0.348 163 M C 0.721 177.107 176.300 0.143 0.000 1.151 163 M CA -0.598 54.803 55.300 0.169 0.000 1.046 163 M CB 1.230 33.954 32.600 0.207 0.000 1.647 163 M HN 0.241 nan 8.290 nan 0.000 0.451 164 N N 1.246 120.004 118.700 0.097 0.000 2.538 164 N HA 0.257 4.997 4.740 -0.000 0.000 0.292 164 N C 0.062 175.642 175.510 0.117 0.000 1.262 164 N CA -0.412 52.699 53.050 0.102 0.000 0.976 164 N CB 0.407 38.939 38.487 0.076 0.000 1.161 164 N HN 0.339 nan 8.380 nan 0.000 0.598 165 D N -0.292 120.198 120.400 0.151 0.000 2.123 165 D HA -0.092 4.548 4.640 -0.000 0.000 0.196 165 D C 1.721 178.132 176.300 0.186 0.000 0.992 165 D CA 1.415 55.574 54.000 0.264 0.000 0.833 165 D CB -0.062 40.863 40.800 0.208 0.000 0.954 165 D HN 0.491 nan 8.370 nan 0.000 0.455 166 R N 0.440 121.014 120.500 0.123 0.000 2.081 166 R HA -0.077 4.263 4.340 -0.000 0.000 0.235 166 R C 2.200 178.584 176.300 0.141 0.000 1.131 166 R CA 0.992 57.169 56.100 0.128 0.000 0.960 166 R CB -0.129 30.238 30.300 0.112 0.000 0.856 166 R HN 0.342 nan 8.270 nan 0.000 0.436 167 E N 0.029 120.270 120.200 0.068 0.000 2.072 167 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 167 E C 2.054 178.583 176.600 -0.118 0.000 0.985 167 E CA 1.170 57.571 56.400 0.002 0.000 0.801 167 E CB 0.043 29.739 29.700 -0.007 0.000 0.750 167 E HN 0.069 nan 8.360 nan 0.000 0.452 168 V N 0.816 120.605 119.914 -0.208 0.000 2.261 168 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 168 V C 2.312 178.217 176.094 -0.315 0.000 1.047 168 V CA 1.455 63.448 62.300 -0.512 0.000 1.015 168 V CB -0.362 31.205 31.823 -0.427 0.000 0.642 168 V HN 0.142 nan 8.190 nan 0.000 0.446 169 V N 0.185 120.036 119.914 -0.106 0.000 2.343 169 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 169 V C 2.689 178.994 176.094 0.351 0.000 1.051 169 V CA 1.957 64.303 62.300 0.078 0.000 1.036 169 V CB -1.161 30.736 31.823 0.123 0.000 0.654 169 V HN 0.559 nan 8.190 nan 0.000 0.451 170 A N -0.170 122.895 122.820 0.408 0.000 1.883 170 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 170 A C 2.227 180.077 177.584 0.444 0.000 1.186 170 A CA 1.910 54.216 52.037 0.448 0.000 0.624 170 A CB -0.604 18.557 19.000 0.269 0.000 0.822 170 A HN 0.494 nan 8.150 nan 0.000 0.444 171 L N -1.957 119.332 121.223 0.109 0.000 2.083 171 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 171 L C 2.699 179.510 176.870 -0.097 0.000 1.083 171 L CA 1.579 56.423 54.840 0.007 0.000 0.752 171 L CB -0.345 41.556 42.059 -0.262 0.000 0.899 171 L HN 0.391 nan 8.230 nan 0.000 0.433 172 M N -0.096 119.339 119.600 -0.275 0.000 2.460 172 M HA -0.045 4.435 4.480 -0.000 0.000 0.263 172 M C 1.952 177.635 176.300 -1.029 0.000 1.071 172 M CA 1.100 56.014 55.300 -0.644 0.000 1.096 172 M CB -0.579 31.736 32.600 -0.475 0.000 1.408 172 M HN 0.166 nan 8.290 nan 0.000 0.463 173 G N -0.759 107.708 108.800 -0.555 0.000 2.479 173 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.220 173 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.220 173 G C 1.508 176.002 174.900 -0.676 0.000 1.115 173 G CA 0.799 45.440 45.100 -0.766 0.000 0.757 173 G HN 0.606 nan 8.290 nan 0.000 0.560 174 A N 0.045 122.590 122.820 -0.458 0.000 2.125 174 A HA -0.050 4.270 4.320 -0.000 0.000 0.219 174 A C 1.802 179.192 177.584 -0.324 0.000 1.156 174 A CA 1.184 52.995 52.037 -0.377 0.000 0.671 174 A CB -0.690 18.235 19.000 -0.125 0.000 0.794 174 A HN 0.635 nan 8.150 nan 0.000 0.459 175 H N -1.107 117.593 119.070 -0.617 0.000 2.563 175 H HA 0.153 4.709 4.556 -0.000 0.000 0.272 175 H C 2.115 177.273 175.328 -0.283 0.000 1.005 175 H CA 0.089 55.854 56.048 -0.472 0.000 1.171 175 H CB 0.170 29.590 29.762 -0.571 0.000 1.351 175 H HN 0.594 nan 8.280 nan 0.000 0.602 176 A N 0.807 123.488 122.820 -0.232 0.000 2.168 176 A HA 0.014 4.334 4.320 -0.000 0.000 0.215 176 A C 0.897 178.388 177.584 -0.155 0.000 1.152 176 A CA 0.356 52.292 52.037 -0.169 0.000 0.716 176 A CB -0.145 18.701 19.000 -0.258 0.000 0.794 176 A HN 0.201 nan 8.150 nan 0.000 0.465 177 L N -1.121 120.017 121.223 -0.143 0.000 2.357 177 L HA 0.565 4.905 4.340 -0.000 0.000 0.273 177 L C 1.370 178.214 176.870 -0.043 0.000 1.080 177 L CA 0.100 54.894 54.840 -0.078 0.000 0.803 177 L CB 0.769 42.799 42.059 -0.048 0.000 1.174 177 L HN 0.537 nan 8.230 nan 0.000 0.443 178 G N 2.448 111.233 108.800 -0.026 0.000 2.564 178 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.273 178 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.273 178 G C -0.596 174.257 174.900 -0.079 0.000 1.242 178 G CA 0.465 45.554 45.100 -0.018 0.000 0.951 178 G HN 0.986 nan 8.290 nan 0.000 0.564 179 K N -1.762 118.547 120.400 -0.152 0.000 2.607 179 K HA 0.654 4.974 4.320 -0.000 0.000 0.287 179 K C -0.363 175.968 176.600 -0.449 0.000 0.996 179 K CA -0.247 55.874 56.287 -0.277 0.000 0.876 179 K CB 1.086 33.411 32.500 -0.292 0.000 1.496 179 K HN 1.289 nan 8.250 nan 0.000 0.415 180 T N -0.592 113.763 114.554 -0.331 0.000 2.910 180 T HA 0.352 4.702 4.350 -0.000 0.000 0.293 180 T C -0.619 173.855 174.700 -0.377 0.000 1.015 180 T CA -0.349 61.599 62.100 -0.254 0.000 1.094 180 T CB 0.195 69.038 68.868 -0.042 0.000 0.968 180 T HN 0.612 nan 8.240 nan 0.000 0.521 181 H N 1.743 120.836 119.070 0.039 0.000 2.589 181 H HA 0.409 4.965 4.556 -0.000 0.000 0.335 181 H C 0.655 175.999 175.328 0.027 0.000 1.019 181 H CA -0.927 55.132 56.048 0.018 0.000 1.213 181 H CB 1.525 31.284 29.762 -0.004 0.000 1.472 181 H HN 0.453 nan 8.280 nan 0.000 0.508 182 L N 2.507 123.796 121.223 0.111 0.000 2.043 182 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 182 L C 1.565 178.459 176.870 0.040 0.000 1.075 182 L CA 1.916 56.784 54.840 0.048 0.000 0.752 182 L CB -0.128 41.941 42.059 0.015 0.000 0.891 182 L HN 0.547 nan 8.230 nan 0.000 0.432 183 K N -0.916 119.516 120.400 0.053 0.000 2.288 183 K HA -0.061 4.259 4.320 -0.000 0.000 0.201 183 K C 1.762 178.383 176.600 0.036 0.000 1.048 183 K CA 0.983 57.288 56.287 0.029 0.000 0.956 183 K CB -0.142 32.367 32.500 0.015 0.000 0.746 183 K HN 0.322 nan 8.250 nan 0.000 0.461 184 N N -0.213 118.529 118.700 0.071 0.000 2.220 184 N HA -0.068 4.672 4.740 -0.000 0.000 0.182 184 N C 1.470 177.033 175.510 0.088 0.000 1.023 184 N CA 1.684 54.779 53.050 0.076 0.000 0.856 184 N CB 0.163 38.719 38.487 0.114 0.000 0.997 184 N HN 0.204 nan 8.380 nan 0.000 0.429 185 S N -2.551 113.218 115.700 0.116 0.000 2.687 185 S HA 0.373 4.842 4.470 -0.000 0.000 0.247 185 S C 1.158 175.798 174.600 0.066 0.000 1.050 185 S CA 0.365 58.656 58.200 0.151 0.000 1.063 185 S CB 0.919 64.277 63.200 0.263 0.000 1.039 185 S HN 0.359 nan 8.310 nan 0.000 0.580 186 G N 0.576 109.351 108.800 -0.042 0.000 2.143 186 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.248 186 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.248 186 G C -0.315 174.277 174.900 -0.513 0.000 0.991 186 G CA 0.479 45.427 45.100 -0.253 0.000 0.689 186 G HN 0.581 nan 8.290 nan 0.000 0.522 187 Y N -0.904 119.400 120.300 0.007 0.000 2.545 187 Y HA 0.714 5.264 4.550 -0.000 0.000 0.348 187 Y C 0.061 175.952 175.900 -0.016 0.000 1.002 187 Y CA -1.319 56.778 58.100 -0.007 0.000 1.039 187 Y CB 2.237 40.690 38.460 -0.011 0.000 1.271 187 Y HN 0.126 nan 8.280 nan 0.000 0.467 188 E N 0.876 121.156 120.200 0.134 0.000 2.263 188 E HA 0.699 5.049 4.350 -0.000 0.000 0.268 188 E C -0.563 176.064 176.600 0.046 0.000 0.884 188 E CA -0.241 56.191 56.400 0.054 0.000 0.766 188 E CB 1.737 31.459 29.700 0.036 0.000 1.196 188 E HN 0.919 nan 8.360 nan 0.000 0.416 189 G N 3.767 112.562 108.800 -0.007 0.000 2.362 189 G HA2 0.080 4.040 3.960 -0.000 0.000 0.656 189 G HA3 0.080 4.040 3.960 -0.000 0.000 0.656 189 G C -3.037 171.859 174.900 -0.008 0.000 1.376 189 G CA -0.519 44.592 45.100 0.018 0.000 0.971 189 G HN 0.483 nan 8.290 nan 0.000 0.636 190 P HA 0.414 nan 4.420 nan 0.000 0.281 190 P C 0.939 178.269 177.300 0.051 0.000 1.264 190 P CA 0.422 63.526 63.100 0.007 0.000 0.824 190 P CB 1.483 33.194 31.700 0.019 0.000 1.092 191 G N -0.534 108.253 108.800 -0.021 0.000 2.880 191 G HA2 0.402 4.362 3.960 -0.000 0.000 0.209 191 G HA3 0.402 4.362 3.960 -0.000 0.000 0.209 191 G C 0.608 175.359 174.900 -0.248 0.000 1.157 191 G CA 0.450 45.551 45.100 0.001 0.000 0.779 191 G HN 0.859 nan 8.290 nan 0.000 0.539 192 G N -2.169 106.301 108.800 -0.549 0.000 2.427 192 G HA2 0.514 4.474 3.960 -0.000 0.000 0.306 192 G HA3 0.514 4.474 3.960 -0.000 0.000 0.306 192 G C 0.393 174.889 174.900 -0.673 0.000 1.280 192 G CA 0.130 44.546 45.100 -1.140 0.000 0.837 192 G HN 0.518 nan 8.290 nan 0.000 0.482 193 A N -0.970 121.598 122.820 -0.421 0.000 1.943 193 A HA 0.634 4.954 4.320 -0.000 0.000 0.213 193 A C 1.694 179.250 177.584 -0.047 0.000 1.181 193 A CA 1.957 53.956 52.037 -0.064 0.000 0.653 193 A CB -0.264 18.772 19.000 0.060 0.000 0.833 193 A HN 1.989 nan 8.150 nan 0.000 0.451 194 A N 1.553 124.329 122.820 -0.074 0.000 3.095 194 A HA 0.396 4.716 4.320 -0.000 0.000 0.301 194 A C 0.425 177.981 177.584 -0.046 0.000 1.432 194 A CA -0.242 51.774 52.037 -0.035 0.000 1.140 194 A CB -0.672 18.317 19.000 -0.019 0.000 1.174 194 A HN 0.507 nan 8.150 nan 0.000 0.546 195 N N 0.570 119.247 118.700 -0.038 0.000 2.314 195 N HA -0.052 4.688 4.740 -0.000 0.000 0.200 195 N C -0.046 175.457 175.510 -0.012 0.000 1.135 195 N CA 0.250 53.273 53.050 -0.044 0.000 0.835 195 N CB -0.029 38.426 38.487 -0.053 0.000 0.989 195 N HN 0.521 nan 8.380 nan 0.000 0.478 196 N N -0.819 117.887 118.700 0.011 0.000 2.299 196 N HA 0.128 4.868 4.740 -0.000 0.000 0.246 196 N C -1.267 174.273 175.510 0.050 0.000 1.254 196 N CA -0.529 52.541 53.050 0.034 0.000 0.879 196 N CB 0.369 38.886 38.487 0.050 0.000 1.214 196 N HN -0.086 nan 8.380 nan 0.000 0.510 197 V N 1.050 120.991 119.914 0.045 0.000 2.588 197 V HA 0.427 4.547 4.120 -0.000 0.000 0.304 197 V C -1.002 175.146 176.094 0.091 0.000 1.042 197 V CA -0.984 61.366 62.300 0.083 0.000 0.877 197 V CB 1.786 33.655 31.823 0.076 0.000 0.996 197 V HN 0.173 nan 8.190 nan 0.000 0.425 198 F N 5.170 125.117 119.950 -0.003 0.000 2.438 198 F HA 0.553 5.080 4.527 -0.000 0.000 0.360 198 F C 0.727 176.640 175.800 0.188 0.000 1.118 198 F CA 0.428 58.408 58.000 -0.034 0.000 1.164 198 F CB 0.594 39.453 39.000 -0.235 0.000 1.131 198 F HN 0.728 nan 8.300 nan 0.000 0.527 199 T N 1.254 115.813 114.554 0.008 0.000 2.696 199 T HA 0.248 4.598 4.350 -0.000 0.000 0.291 199 T C 0.131 174.932 174.700 0.167 0.000 1.095 199 T CA -0.876 61.365 62.100 0.236 0.000 1.026 199 T CB 1.296 70.225 68.868 0.102 0.000 1.390 199 T HN 0.447 nan 8.240 nan 0.000 0.513 200 N N -0.418 118.389 118.700 0.179 0.000 2.322 200 N HA 0.046 4.786 4.740 -0.000 0.000 0.216 200 N C 0.820 176.330 175.510 -0.000 0.000 1.144 200 N CA -0.105 52.965 53.050 0.032 0.000 0.830 200 N CB -0.007 38.555 38.487 0.125 0.000 1.034 200 N HN 0.850 nan 8.380 nan 0.000 0.484 201 E N -0.019 120.145 120.200 -0.061 0.000 2.153 201 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 201 E C 1.059 177.599 176.600 -0.100 0.000 0.988 201 E CA 0.630 56.989 56.400 -0.068 0.000 0.811 201 E CB -0.181 29.461 29.700 -0.097 0.000 0.746 201 E HN 0.405 nan 8.360 nan 0.000 0.466 202 F N 0.314 120.025 119.950 -0.399 0.000 2.126 202 F HA -0.271 4.256 4.527 -0.000 0.000 0.299 202 F C 1.437 176.978 175.800 -0.431 0.000 1.096 202 F CA 1.690 59.396 58.000 -0.490 0.000 1.255 202 F CB -0.317 38.226 39.000 -0.762 0.000 0.997 202 F HN 0.080 nan 8.300 nan 0.000 0.479 203 Y N -0.047 120.175 120.300 -0.131 0.000 2.220 203 Y HA -0.079 4.471 4.550 -0.000 0.000 0.291 203 Y C 2.351 178.170 175.900 -0.135 0.000 1.129 203 Y CA 1.159 59.152 58.100 -0.179 0.000 1.161 203 Y CB -1.008 37.405 38.460 -0.079 0.000 0.997 203 Y HN 0.022 nan 8.280 nan 0.000 0.522 204 L N -0.030 121.229 121.223 0.060 0.000 2.012 204 L HA -0.272 4.068 4.340 -0.000 0.000 0.210 204 L C 1.976 178.866 176.870 0.034 0.000 1.073 204 L CA 1.432 56.294 54.840 0.038 0.000 0.748 204 L CB -0.515 41.563 42.059 0.032 0.000 0.891 204 L HN 0.252 nan 8.230 nan 0.000 0.431 205 N N -0.145 118.569 118.700 0.023 0.000 2.188 205 N HA -0.116 4.624 4.740 -0.000 0.000 0.184 205 N C 1.934 177.640 175.510 0.326 0.000 1.018 205 N CA 0.993 54.135 53.050 0.154 0.000 0.858 205 N CB -0.339 38.258 38.487 0.182 0.000 0.989 205 N HN 0.237 nan 8.380 nan 0.000 0.426 206 L N 0.455 121.709 121.223 0.051 0.000 2.043 206 L HA -0.148 4.192 4.340 -0.000 0.000 0.212 206 L C 1.982 178.942 176.870 0.150 0.000 1.075 206 L CA 1.099 55.927 54.840 -0.020 0.000 0.752 206 L CB -0.281 41.520 42.059 -0.431 0.000 0.891 206 L HN 0.165 nan 8.230 nan 0.000 0.432 207 L N -1.327 119.932 121.223 0.060 0.000 2.209 207 L HA -0.102 4.238 4.340 -0.000 0.000 0.207 207 L C 1.622 178.529 176.870 0.062 0.000 1.094 207 L CA 1.182 56.046 54.840 0.041 0.000 0.790 207 L CB -0.266 41.798 42.059 0.008 0.000 0.932 207 L HN 0.352 nan 8.230 nan 0.000 0.447 208 N N -1.772 116.965 118.700 0.063 0.000 2.294 208 N HA 0.039 4.779 4.740 -0.000 0.000 0.186 208 N C 0.141 175.609 175.510 -0.071 0.000 1.107 208 N CA -0.256 52.796 53.050 0.004 0.000 0.884 208 N CB 0.829 39.318 38.487 0.004 0.000 1.030 208 N HN 0.130 nan 8.380 nan 0.000 0.482 209 E N 1.239 121.347 120.200 -0.154 0.000 2.349 209 E HA 0.043 4.393 4.350 -0.000 0.000 0.262 209 E C -0.867 175.392 176.600 -0.568 0.000 1.088 209 E CA 0.006 56.104 56.400 -0.503 0.000 0.899 209 E CB 0.916 29.998 29.700 -1.030 0.000 1.044 209 E HN 0.033 nan 8.360 nan 0.000 0.420 210 D N 1.919 122.018 120.400 -0.503 0.000 2.441 210 D HA 0.114 4.754 4.640 -0.000 0.000 0.221 210 D C -1.064 175.072 176.300 -0.274 0.000 1.156 210 D CA -0.384 53.455 54.000 -0.268 0.000 0.896 210 D CB -0.101 40.604 40.800 -0.158 0.000 1.028 210 D HN 0.182 nan 8.370 nan 0.000 0.509 211 W N 3.295 124.679 121.300 0.139 0.000 2.365 211 W HA 0.358 5.018 4.660 0.000 0.000 0.316 211 W C 0.643 177.328 176.519 0.276 0.000 1.164 211 W CA -1.006 56.473 57.345 0.223 0.000 1.204 211 W CB 1.028 30.659 29.460 0.286 0.000 1.213 211 W HN 0.119 nan 8.180 nan 0.000 0.539 212 K N 3.177 123.853 120.400 0.461 0.000 2.413 212 K HA 0.425 4.745 4.320 -0.000 0.000 0.257 212 K C -1.182 175.440 176.600 0.037 0.000 0.946 212 K CA -0.944 55.482 56.287 0.231 0.000 0.823 212 K CB 0.987 33.545 32.500 0.096 0.000 1.109 212 K HN 0.436 nan 8.250 nan 0.000 0.427 213 L N 4.118 125.117 121.223 -0.374 0.000 2.462 213 L HA 0.226 4.566 4.340 -0.000 0.000 0.272 213 L C -0.919 175.697 176.870 -0.422 0.000 1.166 213 L CA 1.177 55.474 54.840 -0.905 0.000 0.880 213 L CB 0.114 41.350 42.059 -1.372 0.000 1.142 213 L HN 0.729 nan 8.230 nan 0.000 0.473 214 E N 3.974 123.972 120.200 -0.338 0.000 2.408 214 E HA 0.398 4.748 4.350 -0.000 0.000 0.275 214 E C -1.171 175.332 176.600 -0.162 0.000 0.935 214 E CA -1.149 55.140 56.400 -0.185 0.000 0.775 214 E CB 1.798 31.440 29.700 -0.095 0.000 1.277 214 E HN 0.440 nan 8.360 nan 0.000 0.455 215 K N 1.529 121.859 120.400 -0.117 0.000 2.144 215 K HA 0.193 4.513 4.320 -0.000 0.000 0.270 215 K C 0.028 176.588 176.600 -0.067 0.000 1.005 215 K CA -0.463 55.769 56.287 -0.092 0.000 0.932 215 K CB 0.510 32.961 32.500 -0.083 0.000 1.021 215 K HN 0.443 nan 8.250 nan 0.000 0.462 216 N N 0.164 118.826 118.700 -0.065 0.000 2.538 216 N HA 0.099 4.839 4.740 -0.000 0.000 0.292 216 N C -0.060 175.415 175.510 -0.058 0.000 1.262 216 N CA -0.466 52.554 53.050 -0.049 0.000 0.976 216 N CB 0.344 38.807 38.487 -0.039 0.000 1.161 216 N HN 0.314 nan 8.380 nan 0.000 0.598 217 D N -1.241 119.130 120.400 -0.048 0.000 2.371 217 D HA 0.055 4.695 4.640 -0.000 0.000 0.221 217 D C 0.699 176.965 176.300 -0.058 0.000 0.986 217 D CA 0.693 54.666 54.000 -0.045 0.000 0.899 217 D CB -0.260 40.522 40.800 -0.030 0.000 0.902 217 D HN 0.667 nan 8.370 nan 0.000 0.530 218 A N 0.350 123.119 122.820 -0.085 0.000 2.379 218 A HA 0.089 4.409 4.320 -0.000 0.000 0.236 218 A C 0.873 178.389 177.584 -0.114 0.000 1.272 218 A CA -0.085 51.890 52.037 -0.104 0.000 0.886 218 A CB -0.184 18.730 19.000 -0.143 0.000 0.962 218 A HN 0.074 nan 8.150 nan 0.000 0.504 219 N N -0.509 118.132 118.700 -0.099 0.000 2.782 219 N HA -0.172 4.568 4.740 -0.000 0.000 0.251 219 N C -0.767 174.677 175.510 -0.111 0.000 1.101 219 N CA 1.262 54.258 53.050 -0.091 0.000 0.764 219 N CB -2.094 36.351 38.487 -0.071 0.000 1.122 219 N HN 0.793 nan 8.380 nan 0.000 0.561 220 N N 0.271 118.876 118.700 -0.158 0.000 2.456 220 N HA 0.266 5.006 4.740 -0.000 0.000 0.296 220 N C -0.709 174.746 175.510 -0.091 0.000 1.102 220 N CA -0.653 52.295 53.050 -0.168 0.000 0.924 220 N CB 1.000 39.244 38.487 -0.405 0.000 1.186 220 N HN 0.137 nan 8.380 nan 0.000 0.492 221 E N 1.416 121.593 120.200 -0.038 0.000 2.338 221 E HA 0.054 4.404 4.350 -0.000 0.000 0.272 221 E C -0.501 176.114 176.600 0.026 0.000 1.029 221 E CA -0.013 56.343 56.400 -0.073 0.000 0.872 221 E CB 0.689 30.308 29.700 -0.135 0.000 1.015 221 E HN 0.499 nan 8.360 nan 0.000 0.417 222 Q N 1.768 121.523 119.800 -0.074 0.000 2.511 222 Q HA 0.412 4.752 4.340 -0.000 0.000 0.289 222 Q C -1.501 174.394 176.000 -0.174 0.000 1.021 222 Q CA -1.049 54.749 55.803 -0.008 0.000 0.785 222 Q CB 0.999 29.846 28.738 0.181 0.000 1.472 222 Q HN 0.385 nan 8.270 nan 0.000 0.411 223 W N 1.275 122.536 121.300 -0.066 0.000 2.361 223 W HA 0.465 5.125 4.660 -0.000 0.000 0.309 223 W C -0.846 175.805 176.519 0.221 0.000 1.122 223 W CA 0.101 57.419 57.345 -0.047 0.000 1.208 223 W CB 1.374 30.630 29.460 -0.340 0.000 1.246 223 W HN 0.448 nan 8.180 nan 0.000 0.490 224 D N 1.560 122.260 120.400 0.501 0.000 2.498 224 D HA 0.337 4.977 4.640 -0.000 0.000 0.247 224 D C -0.313 176.192 176.300 0.343 0.000 1.070 224 D CA -0.442 53.810 54.000 0.419 0.000 0.842 224 D CB 1.951 42.859 40.800 0.180 0.000 1.361 224 D HN 0.238 nan 8.370 nan 0.000 0.484 225 S N 0.348 116.112 115.700 0.106 0.000 2.690 225 S HA 0.338 4.808 4.470 -0.000 0.000 0.291 225 S C 0.965 175.422 174.600 -0.239 0.000 1.138 225 S CA -0.679 57.341 58.200 -0.301 0.000 1.013 225 S CB 1.970 64.660 63.200 -0.850 0.000 1.053 225 S HN 0.280 nan 8.310 nan 0.000 0.539 226 K N 1.171 121.414 120.400 -0.263 0.000 2.211 226 K HA 0.018 4.338 4.320 -0.000 0.000 0.204 226 K C 1.555 177.989 176.600 -0.277 0.000 1.047 226 K CA 1.596 57.756 56.287 -0.212 0.000 0.935 226 K CB -0.905 31.489 32.500 -0.176 0.000 0.728 226 K HN 0.411 nan 8.250 nan 0.000 0.452 227 S N 0.146 115.573 115.700 -0.454 0.000 2.555 227 S HA 0.135 4.605 4.470 -0.000 0.000 0.230 227 S C 1.209 175.428 174.600 -0.636 0.000 0.978 227 S CA 0.576 58.394 58.200 -0.636 0.000 0.934 227 S CB -0.272 62.274 63.200 -1.091 0.000 0.766 227 S HN 0.704 nan 8.310 nan 0.000 0.533 228 G N 0.620 109.187 108.800 -0.388 0.000 2.132 228 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.228 228 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.228 228 G C -0.287 174.646 174.900 0.056 0.000 1.000 228 G CA -0.204 44.809 45.100 -0.146 0.000 0.693 228 G HN 0.406 nan 8.290 nan 0.000 0.515 229 Y N -0.665 119.668 120.300 0.056 0.000 2.488 229 Y HA 0.861 5.411 4.550 -0.000 0.000 0.325 229 Y C 0.519 176.628 175.900 0.348 0.000 1.204 229 Y CA -1.682 56.519 58.100 0.168 0.000 1.229 229 Y CB 1.303 39.880 38.460 0.195 0.000 1.274 229 Y HN 0.429 nan 8.280 nan 0.000 0.493 230 M N 0.970 120.887 119.600 0.529 0.000 2.593 230 M HA 0.800 5.280 4.480 -0.000 0.000 0.290 230 M C -1.666 174.732 176.300 0.164 0.000 1.244 230 M CA -0.800 54.741 55.300 0.403 0.000 0.857 230 M CB 2.404 35.136 32.600 0.219 0.000 1.738 230 M HN 0.291 nan 8.290 nan 0.000 0.461 231 M N 2.781 122.360 119.600 -0.035 0.000 2.395 231 M HA 0.547 5.027 4.480 -0.000 0.000 0.307 231 M C -1.149 175.145 176.300 -0.009 0.000 1.091 231 M CA -0.534 54.665 55.300 -0.169 0.000 0.919 231 M CB 1.942 34.214 32.600 -0.548 0.000 1.662 231 M HN 0.893 nan 8.290 nan 0.000 0.440 232 L N 3.840 125.021 121.223 -0.069 0.000 2.467 232 L HA 0.101 4.441 4.340 -0.000 0.000 0.270 232 L C -1.222 175.686 176.870 0.063 0.000 1.205 232 L CA -1.264 53.492 54.840 -0.139 0.000 0.828 232 L CB 0.073 41.975 42.059 -0.262 0.000 1.101 232 L HN 0.450 nan 8.230 nan 0.000 0.479 233 P HA -0.176 nan 4.420 nan 0.000 0.216 233 P C 1.431 178.841 177.300 0.184 0.000 1.150 233 P CA 1.548 64.797 63.100 0.248 0.000 0.843 233 P CB -0.019 31.797 31.700 0.194 0.000 0.787 234 T N -3.962 110.662 114.554 0.116 0.000 2.867 234 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 234 T C 1.422 176.205 174.700 0.138 0.000 1.057 234 T CA 1.169 63.359 62.100 0.151 0.000 1.136 234 T CB -0.937 68.032 68.868 0.169 0.000 0.874 234 T HN 0.032 nan 8.240 nan 0.000 0.466 235 D N 0.508 120.985 120.400 0.129 0.000 2.097 235 D HA -0.066 4.574 4.640 -0.000 0.000 0.197 235 D C 1.692 177.967 176.300 -0.042 0.000 0.984 235 D CA 1.113 55.202 54.000 0.148 0.000 0.826 235 D CB -0.561 40.348 40.800 0.183 0.000 0.973 235 D HN 0.462 nan 8.370 nan 0.000 0.460 236 Y N 1.760 121.907 120.300 -0.254 0.000 2.333 236 Y HA -0.216 4.334 4.550 -0.000 0.000 0.290 236 Y C 2.429 178.159 175.900 -0.282 0.000 1.144 236 Y CA 1.494 59.301 58.100 -0.489 0.000 1.228 236 Y CB -0.151 37.783 38.460 -0.878 0.000 0.985 236 Y HN -0.041 nan 8.280 nan 0.000 0.542 237 S N -0.312 115.389 115.700 0.002 0.000 2.440 237 S HA -0.201 4.269 4.470 -0.000 0.000 0.238 237 S C 1.803 176.433 174.600 0.049 0.000 1.010 237 S CA 1.431 59.669 58.200 0.065 0.000 0.972 237 S CB -0.949 62.362 63.200 0.186 0.000 0.774 237 S HN 0.560 nan 8.310 nan 0.000 0.501 238 L N 1.013 122.214 121.223 -0.037 0.000 2.362 238 L HA 0.128 4.468 4.340 -0.000 0.000 0.219 238 L C 2.272 179.108 176.870 -0.056 0.000 1.134 238 L CA 1.109 55.943 54.840 -0.009 0.000 0.807 238 L CB -0.679 41.329 42.059 -0.084 0.000 0.927 238 L HN 0.553 nan 8.230 nan 0.000 0.447 239 I N -4.844 115.566 120.570 -0.267 0.000 3.956 239 I HA 0.026 4.196 4.170 -0.000 0.000 0.333 239 I C 1.879 177.839 176.117 -0.261 0.000 1.302 239 I CA 0.233 61.352 61.300 -0.301 0.000 1.122 239 I CB 0.033 37.756 38.000 -0.461 0.000 1.013 239 I HN 0.126 nan 8.210 nan 0.000 0.405 240 Q N 1.197 120.873 119.800 -0.206 0.000 2.250 240 Q HA 0.072 4.412 4.340 -0.000 0.000 0.200 240 Q C 0.520 176.511 176.000 -0.016 0.000 0.941 240 Q CA 0.521 56.271 55.803 -0.088 0.000 0.872 240 Q CB 0.299 29.027 28.738 -0.016 0.000 0.965 240 Q HN 0.529 nan 8.270 nan 0.000 0.480 241 D N 0.577 120.991 120.400 0.024 0.000 2.277 241 D HA 0.051 4.691 4.640 -0.000 0.000 0.249 241 D C -1.994 174.290 176.300 -0.026 0.000 1.134 241 D CA -2.043 51.955 54.000 -0.004 0.000 0.863 241 D CB 1.714 42.499 40.800 -0.025 0.000 1.143 241 D HN -0.119 nan 8.370 nan 0.000 0.458 242 P HA -0.094 nan 4.420 nan 0.000 0.217 242 P C 1.021 178.291 177.300 -0.049 0.000 1.150 242 P CA 1.162 64.235 63.100 -0.045 0.000 0.832 242 P CB 0.401 32.075 31.700 -0.043 0.000 0.787 243 K N -1.517 118.826 120.400 -0.094 0.000 2.025 243 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 243 K C 2.186 178.787 176.600 0.003 0.000 1.049 243 K CA 1.343 57.575 56.287 -0.093 0.000 0.933 243 K CB -0.603 31.791 32.500 -0.176 0.000 0.714 243 K HN 0.118 nan 8.250 nan 0.000 0.438 244 Y N 1.010 121.293 120.300 -0.029 0.000 2.224 244 Y HA -0.172 4.378 4.550 0.000 0.000 0.289 244 Y C 2.160 178.023 175.900 -0.061 0.000 1.146 244 Y CA 0.407 58.489 58.100 -0.030 0.000 1.182 244 Y CB -0.757 37.700 38.460 -0.005 0.000 0.983 244 Y HN 0.017 nan 8.280 nan 0.000 0.524 245 L N -0.701 120.574 121.223 0.086 0.000 2.046 245 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 245 L C 2.571 179.419 176.870 -0.038 0.000 1.077 245 L CA 2.085 56.922 54.840 -0.005 0.000 0.747 245 L CB -1.145 40.892 42.059 -0.037 0.000 0.896 245 L HN 0.156 nan 8.230 nan 0.000 0.432 246 S N -0.648 115.028 115.700 -0.039 0.000 2.370 246 S HA -0.182 4.288 4.470 -0.000 0.000 0.226 246 S C 1.988 176.510 174.600 -0.131 0.000 1.033 246 S CA 1.852 60.009 58.200 -0.071 0.000 1.011 246 S CB -0.466 62.699 63.200 -0.059 0.000 0.852 246 S HN 0.531 nan 8.310 nan 0.000 0.457 247 I N 0.745 121.225 120.570 -0.149 0.000 2.353 247 I HA -0.076 4.094 4.170 -0.000 0.000 0.248 247 I C 2.264 178.101 176.117 -0.466 0.000 1.119 247 I CA 0.585 61.679 61.300 -0.344 0.000 1.417 247 I CB -0.410 37.430 38.000 -0.267 0.000 1.078 247 I HN 0.155 nan 8.210 nan 0.000 0.421 248 V N 1.282 121.077 119.914 -0.197 0.000 2.282 248 V HA -0.333 3.787 4.120 -0.000 0.000 0.249 248 V C 2.476 178.489 176.094 -0.135 0.000 1.057 248 V CA 1.985 64.234 62.300 -0.085 0.000 1.032 248 V CB -0.730 31.119 31.823 0.044 0.000 0.645 248 V HN 0.406 nan 8.190 nan 0.000 0.447 249 K N -0.341 119.985 120.400 -0.123 0.000 2.057 249 K HA -0.243 4.077 4.320 -0.000 0.000 0.207 249 K C 2.239 178.767 176.600 -0.121 0.000 1.049 249 K CA 1.753 57.985 56.287 -0.093 0.000 0.931 249 K CB -0.208 32.248 32.500 -0.075 0.000 0.714 249 K HN 0.571 nan 8.250 nan 0.000 0.440 250 E N 0.018 120.093 120.200 -0.209 0.000 2.085 250 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 250 E C 1.593 178.132 176.600 -0.102 0.000 0.994 250 E CA 1.307 57.590 56.400 -0.195 0.000 0.801 250 E CB 0.037 29.549 29.700 -0.313 0.000 0.743 250 E HN 0.302 nan 8.360 nan 0.000 0.453 251 Y N -0.270 119.882 120.300 -0.247 0.000 2.337 251 Y HA 0.125 4.675 4.550 -0.000 0.000 0.293 251 Y C 2.191 177.937 175.900 -0.258 0.000 1.123 251 Y CA 0.523 58.400 58.100 -0.371 0.000 1.201 251 Y CB -0.907 36.923 38.460 -1.050 0.000 1.011 251 Y HN 0.138 nan 8.280 nan 0.000 0.545 252 A N 0.326 123.131 122.820 -0.024 0.000 1.933 252 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 252 A C 2.117 179.720 177.584 0.031 0.000 1.175 252 A CA 1.999 54.068 52.037 0.053 0.000 0.628 252 A CB -0.832 18.201 19.000 0.055 0.000 0.814 252 A HN 0.478 nan 8.150 nan 0.000 0.444 253 N N -0.728 117.980 118.700 0.013 0.000 2.409 253 N HA -0.064 4.676 4.740 -0.000 0.000 0.179 253 N C -0.548 174.977 175.510 0.024 0.000 1.032 253 N CA 1.096 54.153 53.050 0.012 0.000 0.898 253 N CB 0.163 38.648 38.487 -0.003 0.000 0.971 253 N HN 0.255 nan 8.380 nan 0.000 0.441 254 D N -0.314 120.117 120.400 0.051 0.000 2.328 254 D HA 0.068 4.708 4.640 -0.000 0.000 0.243 254 D C 0.078 176.432 176.300 0.089 0.000 1.324 254 D CA -0.253 53.782 54.000 0.058 0.000 0.966 254 D CB 0.747 41.590 40.800 0.072 0.000 1.324 254 D HN 0.165 nan 8.370 nan 0.000 0.549 255 Q N 1.982 121.797 119.800 0.024 0.000 2.170 255 Q HA -0.148 4.192 4.340 -0.000 0.000 0.203 255 Q C 0.461 176.383 176.000 -0.131 0.000 0.976 255 Q CA 1.375 57.173 55.803 -0.008 0.000 0.858 255 Q CB 0.402 29.039 28.738 -0.168 0.000 0.907 255 Q HN 0.374 nan 8.270 nan 0.000 0.433 256 D N 0.286 120.606 120.400 -0.133 0.000 2.144 256 D HA -0.157 4.483 4.640 -0.000 0.000 0.199 256 D C 1.711 178.036 176.300 0.042 0.000 0.984 256 D CA 1.170 55.110 54.000 -0.100 0.000 0.834 256 D CB -0.040 40.730 40.800 -0.050 0.000 0.955 256 D HN 0.102 nan 8.370 nan 0.000 0.465 257 K N 0.399 120.855 120.400 0.094 0.000 2.057 257 K HA -0.107 4.213 4.320 -0.000 0.000 0.206 257 K C 1.896 178.591 176.600 0.160 0.000 1.050 257 K CA 0.568 56.950 56.287 0.157 0.000 0.935 257 K CB -0.759 31.867 32.500 0.211 0.000 0.715 257 K HN 0.061 nan 8.250 nan 0.000 0.439 258 F N 0.468 120.389 119.950 -0.049 0.000 2.091 258 F HA -0.175 4.352 4.527 -0.000 0.000 0.299 258 F C 1.596 177.434 175.800 0.063 0.000 1.103 258 F CA 1.452 59.214 58.000 -0.397 0.000 1.228 258 F CB -0.682 38.138 39.000 -0.300 0.000 0.984 258 F HN 0.001 nan 8.300 nan 0.000 0.477 259 F N 1.247 120.953 119.950 -0.406 0.000 2.095 259 F HA -0.159 4.368 4.527 -0.000 0.000 0.298 259 F C 2.643 178.322 175.800 -0.203 0.000 1.104 259 F CA 1.784 59.556 58.000 -0.380 0.000 1.232 259 F CB -1.377 37.531 39.000 -0.153 0.000 0.987 259 F HN 0.053 nan 8.300 nan 0.000 0.475 260 K N 0.142 120.596 120.400 0.089 0.000 2.026 260 K HA -0.195 4.125 4.320 -0.000 0.000 0.208 260 K C 1.647 178.257 176.600 0.017 0.000 1.048 260 K CA 2.005 58.322 56.287 0.050 0.000 0.929 260 K CB -0.170 32.370 32.500 0.066 0.000 0.713 260 K HN 0.071 nan 8.250 nan 0.000 0.439 261 D N -0.226 120.183 120.400 0.015 0.000 2.149 261 D HA -0.113 4.527 4.640 -0.000 0.000 0.201 261 D C 1.554 177.844 176.300 -0.017 0.000 0.972 261 D CA 0.655 54.675 54.000 0.033 0.000 0.835 261 D CB -0.197 40.682 40.800 0.131 0.000 0.966 261 D HN 0.201 nan 8.370 nan 0.000 0.476 262 F N 1.206 121.019 119.950 -0.227 0.000 2.102 262 F HA -0.200 4.328 4.527 0.000 0.000 0.298 262 F C 2.505 178.223 175.800 -0.136 0.000 1.105 262 F CA 1.426 59.293 58.000 -0.222 0.000 1.239 262 F CB -0.270 38.435 39.000 -0.491 0.000 0.991 262 F HN -0.141 nan 8.300 nan 0.000 0.474 263 S N 0.046 115.713 115.700 -0.055 0.000 2.359 263 S HA -0.241 4.229 4.470 -0.000 0.000 0.224 263 S C 2.117 176.666 174.600 -0.085 0.000 1.035 263 S CA 1.792 59.958 58.200 -0.057 0.000 1.018 263 S CB -0.371 62.811 63.200 -0.030 0.000 0.876 263 S HN 0.484 nan 8.310 nan 0.000 0.448 264 K N 0.702 121.057 120.400 -0.077 0.000 2.026 264 K HA 0.012 4.332 4.320 -0.000 0.000 0.208 264 K C 2.472 179.017 176.600 -0.092 0.000 1.048 264 K CA 1.228 57.474 56.287 -0.067 0.000 0.929 264 K CB -0.424 32.053 32.500 -0.037 0.000 0.713 264 K HN 0.438 nan 8.250 nan 0.000 0.439 265 A N 0.879 123.622 122.820 -0.129 0.000 1.898 265 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 265 A C 1.989 179.487 177.584 -0.144 0.000 1.181 265 A CA 1.137 53.095 52.037 -0.131 0.000 0.620 265 A CB -0.613 18.300 19.000 -0.145 0.000 0.819 265 A HN 0.296 nan 8.150 nan 0.000 0.442 266 F N 0.627 120.284 119.950 -0.489 0.000 2.146 266 F HA -0.083 4.444 4.527 0.000 0.000 0.298 266 F C 2.223 177.923 175.800 -0.166 0.000 1.096 266 F CA 1.799 59.543 58.000 -0.427 0.000 1.275 266 F CB -0.309 38.261 39.000 -0.716 0.000 1.008 266 F HN 0.454 nan 8.300 nan 0.000 0.480 267 E N 0.279 120.425 120.200 -0.091 0.000 2.051 267 E HA -0.299 4.051 4.350 -0.000 0.000 0.192 267 E C 2.367 178.883 176.600 -0.140 0.000 0.991 267 E CA 1.539 57.869 56.400 -0.116 0.000 0.799 267 E CB -0.257 29.394 29.700 -0.081 0.000 0.748 267 E HN 0.403 nan 8.360 nan 0.000 0.449 268 K N 0.310 120.643 120.400 -0.113 0.000 2.032 268 K HA -0.203 4.117 4.320 -0.000 0.000 0.209 268 K C 2.348 178.889 176.600 -0.099 0.000 1.048 268 K CA 1.322 57.551 56.287 -0.096 0.000 0.927 268 K CB -0.241 32.224 32.500 -0.059 0.000 0.712 268 K HN 0.165 nan 8.250 nan 0.000 0.441 269 L N 1.139 122.317 121.223 -0.075 0.000 2.012 269 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 269 L C 1.902 178.729 176.870 -0.072 0.000 1.073 269 L CA 1.560 56.394 54.840 -0.009 0.000 0.748 269 L CB -0.425 41.666 42.059 0.055 0.000 0.891 269 L HN 0.184 nan 8.230 nan 0.000 0.431 270 L N -0.624 120.494 121.223 -0.175 0.000 2.376 270 L HA -0.072 4.268 4.340 -0.000 0.000 0.219 270 L C 2.153 178.972 176.870 -0.086 0.000 1.133 270 L CA 1.347 56.105 54.840 -0.138 0.000 0.816 270 L CB -0.746 41.192 42.059 -0.202 0.000 0.933 270 L HN 0.405 nan 8.230 nan 0.000 0.449 271 E N -1.699 118.435 120.200 -0.109 0.000 2.498 271 E HA 0.076 4.426 4.350 -0.000 0.000 0.203 271 E C 0.114 176.592 176.600 -0.203 0.000 1.013 271 E CA -0.340 56.028 56.400 -0.054 0.000 0.927 271 E CB 0.276 29.990 29.700 0.024 0.000 1.012 271 E HN 0.338 nan 8.360 nan 0.000 0.482 272 N N 0.786 119.256 118.700 -0.382 0.000 2.412 272 N HA -0.011 4.729 4.740 -0.000 0.000 0.254 272 N C 0.970 175.808 175.510 -1.121 0.000 1.232 272 N CA 1.423 53.934 53.050 -0.899 0.000 0.880 272 N CB 1.107 38.926 38.487 -1.113 0.000 1.076 272 N HN 0.340 nan 8.380 nan 0.000 0.458 273 G N 1.423 109.540 108.800 -1.139 0.000 2.195 273 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.246 273 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.246 273 G C 0.103 174.857 174.900 -0.243 0.000 0.984 273 G CA -0.146 44.644 45.100 -0.517 0.000 0.633 273 G HN 0.542 nan 8.290 nan 0.000 0.525 274 I N 2.033 122.418 120.570 -0.309 0.000 2.336 274 I HA 0.394 4.564 4.170 -0.000 0.000 0.292 274 I C 0.117 175.967 176.117 -0.444 0.000 0.991 274 I CA -0.548 60.509 61.300 -0.405 0.000 1.227 274 I CB 1.803 39.490 38.000 -0.522 0.000 1.366 274 I HN -0.039 nan 8.210 nan 0.000 0.466 275 T N 6.527 120.827 114.554 -0.423 0.000 2.733 275 T HA 0.410 4.760 4.350 -0.000 0.000 0.294 275 T C -0.405 174.049 174.700 -0.410 0.000 0.956 275 T CA -0.169 61.756 62.100 -0.292 0.000 0.987 275 T CB 0.006 68.768 68.868 -0.177 0.000 0.920 275 T HN 0.109 nan 8.240 nan 0.000 0.470 276 F N 4.701 124.604 119.950 -0.078 0.000 2.391 276 F HA 0.369 4.896 4.527 -0.000 0.000 0.359 276 F C -1.681 174.080 175.800 -0.066 0.000 1.122 276 F CA -2.579 55.371 58.000 -0.084 0.000 1.120 276 F CB 0.400 39.324 39.000 -0.126 0.000 1.142 276 F HN 0.352 nan 8.300 nan 0.000 0.483 277 P HA 0.004 nan 4.420 nan 0.000 0.266 277 P C 0.545 177.874 177.300 0.048 0.000 1.193 277 P CA -0.220 62.907 63.100 0.045 0.000 0.770 277 P CB 0.731 32.451 31.700 0.034 0.000 0.836 278 K N 1.752 122.165 120.400 0.023 0.000 2.280 278 K HA -0.119 4.201 4.320 -0.000 0.000 0.202 278 K C 0.751 177.350 176.600 -0.002 0.000 1.047 278 K CA 1.364 57.656 56.287 0.007 0.000 0.942 278 K CB -0.449 32.051 32.500 0.000 0.000 0.739 278 K HN 0.617 nan 8.250 nan 0.000 0.457 279 D N -0.552 119.851 120.400 0.006 0.000 2.368 279 D HA 0.100 4.740 4.640 -0.000 0.000 0.218 279 D C 0.356 176.659 176.300 0.006 0.000 1.112 279 D CA -0.300 53.701 54.000 0.003 0.000 0.834 279 D CB -0.205 40.600 40.800 0.008 0.000 0.953 279 D HN -0.051 nan 8.370 nan 0.000 0.505 280 A N 1.294 124.121 122.820 0.011 0.000 2.492 280 A HA 0.399 4.719 4.320 -0.000 0.000 0.236 280 A C -1.945 175.607 177.584 -0.053 0.000 1.078 280 A CA -0.764 51.276 52.037 0.005 0.000 0.773 280 A CB -0.509 18.522 19.000 0.052 0.000 1.023 280 A HN 0.101 nan 8.150 nan 0.000 0.504 281 P HA 0.145 nan 4.420 nan 0.000 0.267 281 P C -0.058 177.084 177.300 -0.263 0.000 1.200 281 P CA -0.009 63.018 63.100 -0.122 0.000 0.772 281 P CB 0.334 31.967 31.700 -0.111 0.000 0.855 282 S N 3.194 118.763 115.700 -0.220 0.000 2.569 282 S HA 0.123 4.593 4.470 -0.000 0.000 0.274 282 S C -2.045 172.276 174.600 -0.464 0.000 1.353 282 S CA -0.563 57.471 58.200 -0.278 0.000 1.023 282 S CB -0.876 62.218 63.200 -0.177 0.000 0.876 282 S HN 0.400 nan 8.310 nan 0.000 0.540 283 P HA 0.073 nan 4.420 nan 0.000 0.264 283 P C -0.759 176.343 177.300 -0.329 0.000 1.183 283 P CA 0.220 63.024 63.100 -0.494 0.000 0.763 283 P CB 0.137 31.628 31.700 -0.348 0.000 0.807 284 F N 2.515 122.340 119.950 -0.208 0.000 2.384 284 F HA 0.357 4.884 4.527 -0.000 0.000 0.338 284 F C 0.954 176.521 175.800 -0.388 0.000 1.103 284 F CA -0.571 57.253 58.000 -0.294 0.000 1.157 284 F CB 0.085 38.900 39.000 -0.308 0.000 1.167 284 F HN 0.103 nan 8.300 nan 0.000 0.529 285 I N 4.458 124.932 120.570 -0.160 0.000 2.390 285 I HA 0.225 4.395 4.170 -0.000 0.000 0.283 285 I C -0.866 175.176 176.117 -0.126 0.000 1.016 285 I CA -0.558 60.651 61.300 -0.151 0.000 1.151 285 I CB 0.536 38.488 38.000 -0.079 0.000 1.293 285 I HN 0.265 nan 8.210 nan 0.000 0.458 286 F N 5.077 125.085 119.950 0.096 0.000 2.429 286 F HA 0.276 4.803 4.527 -0.000 0.000 0.348 286 F C 0.951 176.576 175.800 -0.291 0.000 1.109 286 F CA -0.498 57.387 58.000 -0.191 0.000 1.232 286 F CB 0.421 39.044 39.000 -0.629 0.000 1.157 286 F HN 0.280 nan 8.300 nan 0.000 0.564 287 K N 1.307 121.661 120.400 -0.076 0.000 2.326 287 K HA 0.248 4.568 4.320 -0.000 0.000 0.275 287 K C 0.405 176.875 176.600 -0.217 0.000 1.018 287 K CA -0.477 55.757 56.287 -0.090 0.000 0.962 287 K CB 0.457 32.949 32.500 -0.014 0.000 0.953 287 K HN 0.756 nan 8.250 nan 0.000 0.475 288 T N -0.587 113.949 114.554 -0.031 0.000 2.766 288 T HA 0.082 4.432 4.350 -0.000 0.000 0.295 288 T C 1.565 176.340 174.700 0.125 0.000 1.024 288 T CA -0.578 61.596 62.100 0.123 0.000 1.018 288 T CB 0.414 69.364 68.868 0.136 0.000 1.002 288 T HN 0.458 nan 8.240 nan 0.000 0.532 289 L N 0.064 121.403 121.223 0.193 0.000 2.042 289 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 289 L C 3.071 179.989 176.870 0.080 0.000 1.076 289 L CA 2.095 57.010 54.840 0.124 0.000 0.749 289 L CB -0.695 41.430 42.059 0.110 0.000 0.893 289 L HN 0.909 nan 8.230 nan 0.000 0.432 290 E N 0.537 120.784 120.200 0.079 0.000 2.085 290 E HA -0.264 4.086 4.350 -0.000 0.000 0.194 290 E C 1.948 178.578 176.600 0.050 0.000 0.994 290 E CA 1.436 57.872 56.400 0.060 0.000 0.801 290 E CB 0.050 29.787 29.700 0.061 0.000 0.743 290 E HN 0.479 nan 8.360 nan 0.000 0.453 291 E N -0.243 119.987 120.200 0.050 0.000 2.265 291 E HA -0.182 4.168 4.350 -0.000 0.000 0.196 291 E C 1.759 178.379 176.600 0.034 0.000 0.996 291 E CA 0.864 57.287 56.400 0.039 0.000 0.832 291 E CB 0.087 29.807 29.700 0.034 0.000 0.756 291 E HN 0.396 nan 8.360 nan 0.000 0.491 292 Q N -0.970 118.851 119.800 0.036 0.000 2.319 292 Q HA 0.129 4.469 4.340 -0.000 0.000 0.202 292 Q C 0.819 176.838 176.000 0.032 0.000 0.896 292 Q CA 0.326 56.148 55.803 0.032 0.000 0.942 292 Q CB 1.173 29.928 28.738 0.030 0.000 1.083 292 Q HN 0.318 nan 8.270 nan 0.000 0.510 293 G N 1.185 110.005 108.800 0.034 0.000 2.176 293 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.252 293 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.252 293 G C -0.085 174.834 174.900 0.032 0.000 1.024 293 G CA 0.215 45.334 45.100 0.032 0.000 0.755 293 G HN 0.222 nan 8.290 nan 0.000 0.507 294 L N 0.000 121.246 121.223 0.039 0.000 2.949 294 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 294 L CA 0.000 54.863 54.840 0.038 0.000 0.813 294 L CB 0.000 42.085 42.059 0.043 0.000 0.961 294 L HN 0.000 nan 8.230 nan 0.000 0.502