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 2v7g_1_C DATA FIRST_RESID 5 DATA SEQUENCE NKYRDVEIRA PRGNKLTAKS WLTEAPLRML MNNLDPQVAE NPKELVVYGG DATA SEQUENCE IGRAARNWEC YDKIVETLTR LEDDETLLVQ SGKPVGVFKT HSNAPRVLIA DATA SEQUENCE NSNLVPHWAN WEHFNELDAK GLAMYGQMTA GSWIYIGSQG IVQGTYETFV DATA SEQUENCE EAGRQHYGGS LKGKWVLTAG LGGMGGAQPL AATLAGACSL NIESQQSRID DATA SEQUENCE FRLETRYVDE QATDLDDALV RIAKYTAEGK AISIALHGNA AEILPELVKR DATA SEQUENCE GVRPDMVTDQ TSAHDPLNGY LPIGWTWEQY RDRAQTIPAA VVKAAKASMA DATA SEQUENCE VHVQAMLDFQ KQGVPTFDYG NNIRQMAKEE GVANAFDFPG FVPAYIRPLF DATA SEQUENCE CRGVGPFRWA ALSGEAEDIY KTDAKVKELI PDDAHLHRWL DMARERISFQ DATA SEQUENCE GLPARICWVG LGLRAKLGLA FNEMVRSGEL SAPVVIGRDH LDSGSVSSPN DATA SEQUENCE RETEAMRDGS DAVSDWPLLN ALLNTAGGAT WVSLHHGGGV GMGFSQHSGM DATA SEQUENCE VIVCDGTDEA AERIARVLTN DPGTGVMRHA DAGYDIAIDC AKEQGLDLPM DATA SEQUENCE ITG 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 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.717 175.510 0.345 0.000 1.280 5 N CA 0.000 53.193 53.050 0.238 0.000 0.885 5 N CB 0.000 38.588 38.487 0.169 0.000 1.341 6 K N -1.897 118.701 120.400 0.330 0.000 2.306 6 K HA 0.197 4.519 4.320 0.003 0.000 0.200 6 K C -0.400 176.507 176.600 0.511 0.000 1.083 6 K CA 0.348 56.835 56.287 0.333 0.000 0.959 6 K CB 0.627 33.253 32.500 0.210 0.000 0.994 6 K HN 0.428 nan 8.250 nan 0.000 0.492 7 Y N 1.415 121.882 120.300 0.279 0.000 2.376 7 Y HA 0.419 4.971 4.550 0.003 0.000 0.340 7 Y C -1.190 174.643 175.900 -0.111 0.000 0.965 7 Y CA -1.068 57.144 58.100 0.187 0.000 1.078 7 Y CB 1.435 39.946 38.460 0.085 0.000 1.193 7 Y HN -0.231 nan 8.280 nan 0.000 0.452 8 R N 4.401 124.273 120.500 -1.046 0.000 2.538 8 R HA 0.187 4.529 4.340 0.003 0.000 0.292 8 R C -1.676 173.936 176.300 -1.146 0.000 1.008 8 R CA -0.719 54.635 56.100 -1.243 0.000 0.896 8 R CB 1.097 30.251 30.300 -1.911 0.000 1.187 8 R HN 0.801 nan 8.270 nan 0.000 0.440 9 D N 4.376 124.291 120.400 -0.808 0.000 2.608 9 D HA 0.151 4.792 4.640 0.003 0.000 0.224 9 D C -0.608 175.506 176.300 -0.310 0.000 1.123 9 D CA -0.002 53.741 54.000 -0.429 0.000 1.030 9 D CB 0.166 40.895 40.800 -0.118 0.000 1.093 9 D HN 0.277 nan 8.370 nan 0.000 0.497 10 V N -0.766 118.946 119.914 -0.337 0.000 3.078 10 V HA 0.623 4.745 4.120 0.003 0.000 0.311 10 V C -0.379 175.641 176.094 -0.124 0.000 1.138 10 V CA -1.107 61.056 62.300 -0.227 0.000 1.007 10 V CB 2.132 33.779 31.823 -0.294 0.000 1.045 10 V HN 0.103 nan 8.190 nan 0.000 0.432 11 E N 2.306 122.466 120.200 -0.067 0.000 2.133 11 E HA 0.654 5.005 4.350 0.003 0.000 0.274 11 E C -1.285 175.314 176.600 -0.001 0.000 0.930 11 E CA -0.495 55.894 56.400 -0.019 0.000 0.770 11 E CB 2.419 32.116 29.700 -0.005 0.000 1.104 11 E HN 0.649 nan 8.360 nan 0.000 0.403 12 I N 3.267 123.850 120.570 0.021 0.000 2.404 12 I HA 0.411 4.583 4.170 0.003 0.000 0.293 12 I C -0.133 176.011 176.117 0.045 0.000 0.992 12 I CA -0.488 60.837 61.300 0.041 0.000 1.149 12 I CB 1.244 39.272 38.000 0.047 0.000 1.315 12 I HN 0.285 nan 8.210 nan 0.000 0.446 13 R N 4.116 124.643 120.500 0.045 0.000 2.651 13 R HA 0.675 5.016 4.340 0.003 0.000 0.278 13 R C -0.863 175.460 176.300 0.038 0.000 1.010 13 R CA -0.964 55.161 56.100 0.042 0.000 0.896 13 R CB 2.124 32.445 30.300 0.034 0.000 1.211 13 R HN 0.698 nan 8.270 nan 0.000 0.456 14 A N 3.927 126.770 122.820 0.038 0.000 2.546 14 A HA 0.254 4.576 4.320 0.003 0.000 0.243 14 A C -2.030 175.571 177.584 0.028 0.000 1.063 14 A CA -0.775 51.282 52.037 0.032 0.000 0.757 14 A CB -0.438 18.588 19.000 0.043 0.000 0.991 14 A HN 0.344 nan 8.150 nan 0.000 0.503 15 P HA 0.135 nan 4.420 nan 0.000 0.266 15 P C -0.138 177.186 177.300 0.040 0.000 1.193 15 P CA 0.268 63.377 63.100 0.016 0.000 0.770 15 P CB 0.417 32.112 31.700 -0.008 0.000 0.836 16 R N 1.131 121.655 120.500 0.040 0.000 2.923 16 R HA 0.732 5.074 4.340 0.003 0.000 0.252 16 R C 0.729 177.077 176.300 0.079 0.000 1.130 16 R CA -0.131 56.002 56.100 0.055 0.000 1.043 16 R CB 0.740 31.058 30.300 0.030 0.000 1.205 16 R HN 0.782 nan 8.270 nan 0.000 0.495 17 G N 1.045 109.899 108.800 0.091 0.000 2.562 17 G HA2 -0.351 3.611 3.960 0.003 0.000 0.250 17 G HA3 -0.351 3.611 3.960 0.003 0.000 0.250 17 G C 0.115 175.144 174.900 0.216 0.000 1.269 17 G CA 0.427 45.592 45.100 0.108 0.000 0.919 17 G HN 0.623 nan 8.290 nan 0.000 0.574 18 N N 0.105 118.926 118.700 0.203 0.000 2.220 18 N HA 0.148 4.890 4.740 0.003 0.000 0.195 18 N C 0.740 176.379 175.510 0.215 0.000 1.123 18 N CA 0.414 53.665 53.050 0.336 0.000 0.874 18 N CB 0.513 39.145 38.487 0.240 0.000 0.995 18 N HN 0.585 nan 8.380 nan 0.000 0.498 19 K N 1.792 122.240 120.400 0.080 0.000 2.379 19 K HA 0.142 4.464 4.320 0.003 0.000 0.284 19 K C -0.610 175.905 176.600 -0.142 0.000 1.044 19 K CA -0.090 56.186 56.287 -0.019 0.000 0.974 19 K CB 0.433 32.924 32.500 -0.015 0.000 0.962 19 K HN 0.050 nan 8.250 nan 0.000 0.474 20 L N 3.872 124.955 121.223 -0.234 0.000 2.350 20 L HA 0.140 4.481 4.340 0.003 0.000 0.275 20 L C 1.250 177.991 176.870 -0.215 0.000 1.099 20 L CA -0.360 54.266 54.840 -0.357 0.000 0.808 20 L CB 1.545 43.343 42.059 -0.435 0.000 1.149 20 L HN 0.830 nan 8.230 nan 0.000 0.442 21 T N 0.863 115.292 114.554 -0.209 0.000 3.046 21 T HA 0.164 4.516 4.350 0.003 0.000 0.242 21 T C 0.805 175.416 174.700 -0.148 0.000 1.018 21 T CA 0.407 62.420 62.100 -0.145 0.000 1.131 21 T CB 0.357 69.154 68.868 -0.118 0.000 0.904 21 T HN 0.680 nan 8.240 nan 0.000 0.459 22 A N 1.225 123.937 122.820 -0.180 0.000 2.251 22 A HA 0.384 4.705 4.320 0.003 0.000 0.278 22 A C 1.148 178.632 177.584 -0.167 0.000 1.206 22 A CA -0.127 51.815 52.037 -0.158 0.000 0.822 22 A CB 0.378 19.287 19.000 -0.152 0.000 1.187 22 A HN 0.289 nan 8.150 nan 0.000 0.504 23 K N -0.596 119.731 120.400 -0.123 0.000 2.305 23 K HA 0.070 4.392 4.320 0.003 0.000 0.199 23 K C 0.358 176.893 176.600 -0.107 0.000 1.047 23 K CA 1.087 57.315 56.287 -0.099 0.000 0.976 23 K CB -0.008 32.457 32.500 -0.058 0.000 0.765 23 K HN 0.759 nan 8.250 nan 0.000 0.474 24 S N -2.491 113.133 115.700 -0.127 0.000 2.643 24 S HA 0.166 4.638 4.470 0.003 0.000 0.270 24 S C -0.381 174.133 174.600 -0.144 0.000 1.166 24 S CA -1.039 57.097 58.200 -0.107 0.000 0.815 24 S CB -0.106 63.107 63.200 0.021 0.000 1.139 24 S HN 0.249 nan 8.310 nan 0.000 0.472 25 W N 0.468 121.794 121.300 0.043 0.000 2.425 25 W HA 0.144 4.806 4.660 0.002 0.000 0.277 25 W C 1.962 178.533 176.519 0.086 0.000 1.231 25 W CA 0.443 57.824 57.345 0.059 0.000 1.248 25 W CB -0.313 29.183 29.460 0.059 0.000 1.117 25 W HN 0.523 nan 8.180 nan 0.000 0.568 26 L N -0.253 121.132 121.223 0.270 0.000 2.191 26 L HA -0.169 4.172 4.340 0.003 0.000 0.212 26 L C 2.399 179.380 176.870 0.185 0.000 1.103 26 L CA 1.803 56.779 54.840 0.227 0.000 0.769 26 L CB -1.192 40.968 42.059 0.168 0.000 0.908 26 L HN 0.097 nan 8.230 nan 0.000 0.438 27 T N -5.048 109.564 114.554 0.096 0.000 3.023 27 T HA -0.016 4.335 4.350 0.003 0.000 0.249 27 T C 1.585 176.271 174.700 -0.024 0.000 1.050 27 T CA 0.249 62.365 62.100 0.027 0.000 1.088 27 T CB 0.224 69.084 68.868 -0.013 0.000 0.946 27 T HN 0.051 nan 8.240 nan 0.000 0.480 28 E N 2.296 122.473 120.200 -0.039 0.000 2.110 28 E HA 0.068 4.419 4.350 0.003 0.000 0.193 28 E C 2.223 178.857 176.600 0.056 0.000 0.988 28 E CA 1.321 57.669 56.400 -0.086 0.000 0.804 28 E CB -0.704 28.807 29.700 -0.315 0.000 0.745 28 E HN 0.593 nan 8.360 nan 0.000 0.458 29 A N 1.368 124.312 122.820 0.206 0.000 1.845 29 A HA -0.084 4.237 4.320 0.003 0.000 0.215 29 A C -0.180 177.459 177.584 0.091 0.000 1.195 29 A CA 1.742 53.965 52.037 0.311 0.000 0.616 29 A CB -1.771 17.535 19.000 0.510 0.000 0.832 29 A HN 0.383 nan 8.150 nan 0.000 0.443 30 P HA -0.138 nan 4.420 nan 0.000 0.217 30 P C 1.688 178.718 177.300 -0.450 0.000 1.150 30 P CA 1.091 63.700 63.100 -0.817 0.000 0.832 30 P CB -0.175 31.069 31.700 -0.760 0.000 0.787 31 L N 0.367 121.413 121.223 -0.296 0.000 2.012 31 L HA -0.106 4.235 4.340 0.003 0.000 0.210 31 L C 2.686 179.433 176.870 -0.204 0.000 1.073 31 L CA 1.885 56.550 54.840 -0.291 0.000 0.748 31 L CB -1.099 40.838 42.059 -0.204 0.000 0.891 31 L HN -0.230 nan 8.230 nan 0.000 0.431 32 R N -1.492 118.958 120.500 -0.083 0.000 2.081 32 R HA -0.114 4.227 4.340 0.003 0.000 0.235 32 R C 2.068 178.381 176.300 0.022 0.000 1.131 32 R CA 1.610 57.709 56.100 -0.001 0.000 0.960 32 R CB -0.328 30.024 30.300 0.087 0.000 0.856 32 R HN 0.361 nan 8.270 nan 0.000 0.436 33 M N 0.224 119.855 119.600 0.050 0.000 2.254 33 M HA -0.065 4.417 4.480 0.003 0.000 0.265 33 M C 2.191 178.539 176.300 0.080 0.000 1.066 33 M CA 0.955 56.352 55.300 0.163 0.000 1.123 33 M CB -0.902 31.946 32.600 0.412 0.000 1.388 33 M HN 0.134 nan 8.290 nan 0.000 0.425 34 L N 0.835 121.928 121.223 -0.216 0.000 1.989 34 L HA -0.143 4.199 4.340 0.003 0.000 0.211 34 L C 2.215 178.976 176.870 -0.182 0.000 1.071 34 L CA 1.944 56.461 54.840 -0.539 0.000 0.749 34 L CB -0.645 40.668 42.059 -1.243 0.000 0.890 34 L HN 0.217 nan 8.230 nan 0.000 0.431 35 M N -0.526 119.011 119.600 -0.104 0.000 2.159 35 M HA -0.186 4.296 4.480 0.003 0.000 0.263 35 M C 2.083 178.411 176.300 0.046 0.000 1.063 35 M CA 1.888 57.197 55.300 0.016 0.000 1.110 35 M CB -0.605 32.009 32.600 0.023 0.000 1.374 35 M HN 0.436 nan 8.290 nan 0.000 0.411 36 N N 0.822 119.558 118.700 0.059 0.000 2.149 36 N HA -0.169 4.573 4.740 0.003 0.000 0.188 36 N C 1.241 176.838 175.510 0.145 0.000 1.019 36 N CA 1.412 54.520 53.050 0.097 0.000 0.857 36 N CB -0.158 38.395 38.487 0.109 0.000 0.997 36 N HN 0.182 nan 8.380 nan 0.000 0.426 37 N N -0.286 118.518 118.700 0.174 0.000 2.272 37 N HA -0.056 4.686 4.740 0.003 0.000 0.185 37 N C 0.768 176.386 175.510 0.182 0.000 1.014 37 N CA 0.750 53.948 53.050 0.247 0.000 0.870 37 N CB -0.037 38.612 38.487 0.270 0.000 0.975 37 N HN 0.373 nan 8.380 nan 0.000 0.433 38 L N -0.668 120.616 121.223 0.101 0.000 2.640 38 L HA 0.164 4.505 4.340 0.003 0.000 0.230 38 L C 0.341 177.257 176.870 0.076 0.000 1.123 38 L CA -0.235 54.640 54.840 0.059 0.000 0.900 38 L CB 0.078 42.121 42.059 -0.027 0.000 1.146 38 L HN 0.037 nan 8.230 nan 0.000 0.484 39 D N 1.767 122.225 120.400 0.096 0.000 2.493 39 D HA -0.013 4.629 4.640 0.003 0.000 0.240 39 D C -1.575 174.782 176.300 0.095 0.000 1.142 39 D CA -1.172 52.879 54.000 0.086 0.000 0.872 39 D CB 1.801 42.653 40.800 0.087 0.000 1.173 39 D HN -0.075 nan 8.370 nan 0.000 0.467 40 P HA -0.152 nan 4.420 nan 0.000 0.218 40 P C 1.024 178.378 177.300 0.091 0.000 1.146 40 P CA 1.111 64.258 63.100 0.079 0.000 0.813 40 P CB 0.214 31.950 31.700 0.060 0.000 0.778 41 Q N -1.242 118.613 119.800 0.090 0.000 2.398 41 Q HA -0.007 4.335 4.340 0.003 0.000 0.204 41 Q C 1.465 177.535 176.000 0.117 0.000 0.932 41 Q CA 0.661 56.521 55.803 0.094 0.000 0.916 41 Q CB 0.160 28.946 28.738 0.080 0.000 1.024 41 Q HN 0.105 nan 8.270 nan 0.000 0.504 42 V N -0.378 119.621 119.914 0.141 0.000 2.743 42 V HA 0.245 4.367 4.120 0.003 0.000 0.237 42 V C 0.672 176.948 176.094 0.303 0.000 1.113 42 V CA 0.674 63.091 62.300 0.194 0.000 1.141 42 V CB 0.398 32.337 31.823 0.192 0.000 0.873 42 V HN 0.244 nan 8.190 nan 0.000 0.486 43 A N 0.140 123.104 122.820 0.240 0.000 2.340 43 A HA 0.301 4.623 4.320 0.003 0.000 0.268 43 A C 1.260 178.947 177.584 0.171 0.000 1.100 43 A CA 0.069 52.237 52.037 0.219 0.000 0.803 43 A CB 0.590 19.678 19.000 0.147 0.000 1.043 43 A HN 0.450 nan 8.150 nan 0.000 0.488 44 E N 0.803 121.092 120.200 0.148 0.000 2.047 44 E HA -0.174 4.177 4.350 0.003 0.000 0.191 44 E C 0.056 176.712 176.600 0.094 0.000 0.987 44 E CA 1.455 57.925 56.400 0.117 0.000 0.799 44 E CB 0.053 29.814 29.700 0.101 0.000 0.752 44 E HN 0.663 nan 8.360 nan 0.000 0.449 45 N N -0.492 118.258 118.700 0.083 0.000 2.673 45 N HA 0.127 4.869 4.740 0.003 0.000 0.265 45 N C -2.363 173.201 175.510 0.091 0.000 1.709 45 N CA -1.227 51.877 53.050 0.090 0.000 0.792 45 N CB 1.352 39.889 38.487 0.084 0.000 1.286 45 N HN -0.005 nan 8.380 nan 0.000 0.506 46 P HA -0.088 nan 4.420 nan 0.000 0.226 46 P C 0.625 178.013 177.300 0.146 0.000 1.153 46 P CA 0.826 63.970 63.100 0.074 0.000 0.777 46 P CB 0.434 32.177 31.700 0.071 0.000 0.794 47 K N 0.151 120.641 120.400 0.150 0.000 2.362 47 K HA -0.069 4.253 4.320 0.003 0.000 0.200 47 K C 1.278 178.065 176.600 0.313 0.000 1.046 47 K CA 0.935 57.298 56.287 0.128 0.000 0.952 47 K CB -0.035 32.437 32.500 -0.047 0.000 0.753 47 K HN 0.301 nan 8.250 nan 0.000 0.466 48 E N 0.282 120.644 120.200 0.270 0.000 2.558 48 E HA 0.163 4.515 4.350 0.003 0.000 0.205 48 E C -0.280 176.327 176.600 0.011 0.000 1.006 48 E CA -0.082 56.463 56.400 0.242 0.000 0.961 48 E CB 0.274 30.106 29.700 0.219 0.000 1.044 48 E HN 0.102 nan 8.360 nan 0.000 0.465 49 L N -0.355 120.809 121.223 -0.097 0.000 4.496 49 L HA -0.215 4.127 4.340 0.003 0.000 0.419 49 L C -0.270 176.523 176.870 -0.128 0.000 1.139 49 L CA 0.004 54.668 54.840 -0.293 0.000 0.975 49 L CB -1.548 40.173 42.059 -0.563 0.000 2.099 49 L HN 0.023 nan 8.230 nan 0.000 0.818 50 V N 0.441 120.329 119.914 -0.043 0.000 2.455 50 V HA 0.113 4.235 4.120 0.003 0.000 0.273 50 V C 1.343 177.422 176.094 -0.025 0.000 1.045 50 V CA 0.252 62.532 62.300 -0.033 0.000 0.976 50 V CB 1.546 33.371 31.823 0.003 0.000 0.993 50 V HN 0.130 nan 8.190 nan 0.000 0.475 51 V N 4.980 124.848 119.914 -0.076 0.000 2.374 51 V HA 0.112 4.234 4.120 0.003 0.000 0.241 51 V C 0.315 176.372 176.094 -0.062 0.000 1.034 51 V CA 1.263 63.527 62.300 -0.059 0.000 1.037 51 V CB -0.428 31.344 31.823 -0.085 0.000 0.682 51 V HN 0.948 nan 8.190 nan 0.000 0.463 52 Y N -3.178 116.971 120.300 -0.252 0.000 2.750 52 Y HA 0.662 5.214 4.550 0.003 0.000 0.335 52 Y C 0.426 176.260 175.900 -0.110 0.000 1.252 52 Y CA -0.722 57.254 58.100 -0.206 0.000 1.064 52 Y CB 0.877 39.110 38.460 -0.378 0.000 1.321 52 Y HN 0.251 nan 8.280 nan 0.000 0.451 53 G N 0.163 109.043 108.800 0.133 0.000 2.179 53 G HA2 0.136 4.098 3.960 0.003 0.000 0.257 53 G HA3 0.136 4.098 3.960 0.003 0.000 0.257 53 G C 1.317 176.228 174.900 0.018 0.000 1.010 53 G CA 1.437 46.580 45.100 0.072 0.000 0.736 53 G HN 2.585 nan 8.290 nan 0.000 0.513 54 G N -0.445 108.362 108.800 0.011 0.000 2.779 54 G HA2 -0.295 3.667 3.960 0.003 0.000 0.230 54 G HA3 -0.295 3.667 3.960 0.003 0.000 0.230 54 G C 1.195 176.099 174.900 0.008 0.000 1.243 54 G CA 1.578 46.683 45.100 0.008 0.000 0.769 54 G HN 2.143 nan 8.290 nan 0.000 0.516 55 I N -1.118 119.464 120.570 0.020 0.000 4.160 55 I HA 0.624 4.796 4.170 0.003 0.000 0.325 55 I C 0.945 177.106 176.117 0.072 0.000 1.455 55 I CA 0.195 61.537 61.300 0.070 0.000 1.142 55 I CB 0.702 38.764 38.000 0.103 0.000 1.262 55 I HN 0.415 nan 8.210 nan 0.000 0.483 56 G N 2.632 111.362 108.800 -0.115 0.000 2.396 56 G HA2 0.449 4.411 3.960 0.003 0.000 0.292 56 G HA3 0.449 4.411 3.960 0.003 0.000 0.292 56 G C -0.207 174.547 174.900 -0.242 0.000 1.106 56 G CA -0.336 44.554 45.100 -0.349 0.000 1.055 56 G HN 0.293 nan 8.290 nan 0.000 0.424 57 R N 1.668 122.098 120.500 -0.117 0.000 2.720 57 R HA 0.547 4.889 4.340 0.003 0.000 0.272 57 R C 0.896 177.202 176.300 0.011 0.000 0.991 57 R CA -0.498 55.569 56.100 -0.054 0.000 1.010 57 R CB 1.865 32.154 30.300 -0.018 0.000 1.141 57 R HN 0.439 nan 8.270 nan 0.000 0.494 58 A N 0.702 123.553 122.820 0.050 0.000 2.081 58 A HA 0.370 4.692 4.320 0.003 0.000 0.214 58 A C 0.444 178.215 177.584 0.311 0.000 1.158 58 A CA 1.061 53.240 52.037 0.237 0.000 0.724 58 A CB 0.259 19.349 19.000 0.150 0.000 0.826 58 A HN 0.664 nan 8.150 nan 0.000 0.463 59 A N -1.760 121.123 122.820 0.106 0.000 2.612 59 A HA 0.617 4.939 4.320 0.003 0.000 0.293 59 A C 0.582 178.163 177.584 -0.005 0.000 1.075 59 A CA -0.094 51.999 52.037 0.094 0.000 0.680 59 A CB 0.462 19.512 19.000 0.083 0.000 1.279 59 A HN 0.144 nan 8.150 nan 0.000 0.411 60 R N 0.077 120.589 120.500 0.019 0.000 2.081 60 R HA -0.120 4.222 4.340 0.003 0.000 0.235 60 R C 0.299 176.577 176.300 -0.037 0.000 1.131 60 R CA 2.346 58.450 56.100 0.007 0.000 0.960 60 R CB -0.145 30.168 30.300 0.022 0.000 0.856 60 R HN 0.922 nan 8.270 nan 0.000 0.436 61 N N -4.234 114.425 118.700 -0.068 0.000 3.179 61 N HA 0.008 4.750 4.740 0.003 0.000 0.250 61 N C -0.601 174.844 175.510 -0.108 0.000 1.507 61 N CA -0.785 52.212 53.050 -0.088 0.000 0.883 61 N CB -0.528 37.978 38.487 0.032 0.000 1.435 61 N HN -0.088 nan 8.380 nan 0.000 0.532 62 W N -0.247 121.093 121.300 0.067 0.000 2.402 62 W HA 0.109 4.770 4.660 0.003 0.000 0.286 62 W C 2.027 178.613 176.519 0.112 0.000 1.221 62 W CA 1.003 58.397 57.345 0.082 0.000 1.257 62 W CB 0.100 29.574 29.460 0.024 0.000 1.120 62 W HN 0.740 nan 8.180 nan 0.000 0.551 63 E N -0.493 119.864 120.200 0.261 0.000 2.077 63 E HA -0.210 4.141 4.350 0.003 0.000 0.193 63 E C 1.912 178.582 176.600 0.116 0.000 0.989 63 E CA 1.632 58.131 56.400 0.166 0.000 0.800 63 E CB -0.276 29.491 29.700 0.112 0.000 0.746 63 E HN 0.187 nan 8.360 nan 0.000 0.452 64 C N 0.115 119.471 119.300 0.094 0.000 2.453 64 C HA -0.132 4.329 4.460 0.003 0.000 0.277 64 C C 2.472 177.495 174.990 0.053 0.000 1.262 64 C CA 0.822 59.876 59.018 0.061 0.000 1.718 64 C CB -1.209 26.561 27.740 0.051 0.000 2.031 64 C HN 0.593 nan 8.230 nan 0.000 0.480 65 Y N 2.370 122.641 120.300 -0.047 0.000 2.097 65 Y HA -0.239 4.313 4.550 0.003 0.000 0.282 65 Y C 2.179 178.075 175.900 -0.007 0.000 1.152 65 Y CA 2.210 60.262 58.100 -0.080 0.000 1.136 65 Y CB -0.518 37.816 38.460 -0.210 0.000 0.975 65 Y HN 0.303 nan 8.280 nan 0.000 0.498 66 D N 0.227 120.684 120.400 0.095 0.000 2.116 66 D HA -0.201 4.441 4.640 0.003 0.000 0.193 66 D C 2.050 178.279 176.300 -0.119 0.000 0.998 66 D CA 1.770 55.770 54.000 0.000 0.000 0.836 66 D CB -0.300 40.578 40.800 0.130 0.000 0.951 66 D HN 0.217 nan 8.370 nan 0.000 0.449 67 K N 0.655 121.016 120.400 -0.066 0.000 2.148 67 K HA 0.013 4.334 4.320 0.003 0.000 0.204 67 K C 2.079 178.612 176.600 -0.111 0.000 1.050 67 K CA 0.505 56.752 56.287 -0.067 0.000 0.942 67 K CB -0.402 32.084 32.500 -0.023 0.000 0.724 67 K HN 0.140 nan 8.250 nan 0.000 0.446 68 I N -0.266 120.212 120.570 -0.154 0.000 2.127 68 I HA -0.295 3.876 4.170 0.003 0.000 0.241 68 I C 1.995 177.947 176.117 -0.275 0.000 1.075 68 I CA 1.082 62.274 61.300 -0.179 0.000 1.334 68 I CB -0.335 37.554 38.000 -0.186 0.000 1.040 68 I HN -0.084 nan 8.210 nan 0.000 0.405 69 V N 0.688 120.346 119.914 -0.427 0.000 2.255 69 V HA -0.311 3.811 4.120 0.003 0.000 0.247 69 V C 2.401 178.359 176.094 -0.228 0.000 1.051 69 V CA 2.047 64.112 62.300 -0.391 0.000 1.018 69 V CB -0.757 30.770 31.823 -0.493 0.000 0.641 69 V HN 0.435 nan 8.190 nan 0.000 0.445 70 E N -0.055 120.037 120.200 -0.179 0.000 2.070 70 E HA -0.243 4.108 4.350 0.003 0.000 0.197 70 E C 2.288 178.827 176.600 -0.102 0.000 1.004 70 E CA 2.098 58.429 56.400 -0.115 0.000 0.805 70 E CB -0.335 29.314 29.700 -0.085 0.000 0.744 70 E HN 0.633 nan 8.360 nan 0.000 0.451 71 T N 1.430 115.924 114.554 -0.101 0.000 2.777 71 T HA -0.083 4.269 4.350 0.003 0.000 0.266 71 T C 2.003 176.656 174.700 -0.077 0.000 1.040 71 T CA 0.675 62.729 62.100 -0.076 0.000 1.141 71 T CB -0.190 68.643 68.868 -0.058 0.000 0.868 71 T HN 0.076 nan 8.240 nan 0.000 0.444 72 L N 0.909 122.071 121.223 -0.103 0.000 2.079 72 L HA -0.129 4.213 4.340 0.003 0.000 0.210 72 L C 2.835 179.644 176.870 -0.102 0.000 1.081 72 L CA 1.168 55.945 54.840 -0.104 0.000 0.752 72 L CB -1.022 40.940 42.059 -0.162 0.000 0.896 72 L HN 0.300 nan 8.230 nan 0.000 0.433 73 T N -0.309 114.177 114.554 -0.113 0.000 2.915 73 T HA -0.145 4.207 4.350 0.003 0.000 0.269 73 T C 1.614 176.265 174.700 -0.082 0.000 1.071 73 T CA 1.467 63.505 62.100 -0.103 0.000 1.132 73 T CB -0.130 68.677 68.868 -0.103 0.000 0.878 73 T HN 0.414 nan 8.240 nan 0.000 0.479 74 R N 0.134 120.592 120.500 -0.070 0.000 2.397 74 R HA 0.390 4.732 4.340 0.003 0.000 0.241 74 R C 0.219 176.493 176.300 -0.045 0.000 0.914 74 R CA -0.298 55.769 56.100 -0.055 0.000 1.071 74 R CB -0.811 29.458 30.300 -0.051 0.000 1.116 74 R HN 0.160 nan 8.270 nan 0.000 0.524 75 L N 2.419 123.616 121.223 -0.043 0.000 2.499 75 L HA 0.092 4.434 4.340 0.003 0.000 0.273 75 L C -0.083 176.777 176.870 -0.016 0.000 1.195 75 L CA 0.572 55.396 54.840 -0.026 0.000 0.882 75 L CB 0.420 42.469 42.059 -0.018 0.000 1.133 75 L HN 0.204 nan 8.230 nan 0.000 0.483 76 E N 2.951 123.148 120.200 -0.006 0.000 2.314 76 E HA 0.076 4.428 4.350 0.003 0.000 0.262 76 E C 0.110 176.722 176.600 0.020 0.000 1.093 76 E CA -0.467 55.936 56.400 0.005 0.000 0.908 76 E CB 0.720 30.424 29.700 0.007 0.000 1.091 76 E HN 0.537 nan 8.360 nan 0.000 0.425 77 D N 0.637 121.054 120.400 0.029 0.000 2.348 77 D HA -0.111 4.531 4.640 0.003 0.000 0.216 77 D C 0.672 176.999 176.300 0.046 0.000 0.970 77 D CA 0.778 54.804 54.000 0.044 0.000 0.889 77 D CB 0.063 40.895 40.800 0.053 0.000 0.912 77 D HN 0.376 nan 8.370 nan 0.000 0.524 78 D N -0.493 119.935 120.400 0.046 0.000 2.388 78 D HA 0.043 4.685 4.640 0.003 0.000 0.221 78 D C 0.083 176.413 176.300 0.050 0.000 1.133 78 D CA -0.112 53.923 54.000 0.058 0.000 0.831 78 D CB -0.078 40.765 40.800 0.072 0.000 0.962 78 D HN 0.060 nan 8.370 nan 0.000 0.502 79 E N -0.626 119.597 120.200 0.039 0.000 2.277 79 E HA 0.567 4.918 4.350 0.003 0.000 0.266 79 E C -0.917 175.712 176.600 0.049 0.000 0.901 79 E CA -0.844 55.582 56.400 0.043 0.000 0.782 79 E CB 1.976 31.690 29.700 0.022 0.000 1.228 79 E HN -0.137 nan 8.360 nan 0.000 0.424 80 T N 1.908 116.508 114.554 0.077 0.000 2.881 80 T HA 0.299 4.650 4.350 0.003 0.000 0.291 80 T C -1.050 173.719 174.700 0.116 0.000 0.990 80 T CA -0.642 61.512 62.100 0.091 0.000 0.976 80 T CB 0.722 69.645 68.868 0.091 0.000 0.970 80 T HN 0.210 nan 8.240 nan 0.000 0.438 81 L N 4.488 125.767 121.223 0.094 0.000 2.326 81 L HA 0.584 4.926 4.340 0.003 0.000 0.278 81 L C -1.266 175.674 176.870 0.117 0.000 1.092 81 L CA -0.466 54.429 54.840 0.093 0.000 0.810 81 L CB 0.272 42.376 42.059 0.075 0.000 1.153 81 L HN 0.396 nan 8.230 nan 0.000 0.439 82 L N 6.286 127.592 121.223 0.138 0.000 2.282 82 L HA 0.490 4.831 4.340 0.003 0.000 0.288 82 L C -0.435 176.491 176.870 0.095 0.000 1.033 82 L CA -0.155 54.759 54.840 0.124 0.000 0.807 82 L CB 1.567 43.729 42.059 0.172 0.000 1.209 82 L HN 0.353 nan 8.230 nan 0.000 0.423 83 V N 3.941 123.895 119.914 0.066 0.000 2.384 83 V HA 0.469 4.590 4.120 0.003 0.000 0.287 83 V C -0.098 176.020 176.094 0.039 0.000 1.020 83 V CA -0.680 61.655 62.300 0.059 0.000 0.850 83 V CB 1.549 33.394 31.823 0.036 0.000 0.987 83 V HN 0.708 nan 8.190 nan 0.000 0.436 84 Q N 3.156 122.984 119.800 0.046 0.000 2.339 84 Q HA 0.295 4.637 4.340 0.003 0.000 0.268 84 Q C -0.051 175.966 176.000 0.030 0.000 1.027 84 Q CA -0.273 55.550 55.803 0.034 0.000 0.759 84 Q CB 1.638 30.398 28.738 0.036 0.000 1.244 84 Q HN 0.863 nan 8.270 nan 0.000 0.464 85 S N 3.232 118.943 115.700 0.019 0.000 3.378 85 S HA -0.227 4.244 4.470 0.003 0.000 0.365 85 S C 0.845 175.469 174.600 0.039 0.000 0.951 85 S CA 1.244 59.458 58.200 0.023 0.000 1.274 85 S CB -1.637 61.585 63.200 0.037 0.000 0.915 85 S HN 1.208 nan 8.310 nan 0.000 0.513 86 G N 0.154 108.985 108.800 0.052 0.000 2.153 86 G HA2 -0.323 3.639 3.960 0.003 0.000 0.252 86 G HA3 -0.323 3.639 3.960 0.003 0.000 0.252 86 G C -0.218 174.742 174.900 0.099 0.000 0.994 86 G CA 0.794 45.956 45.100 0.102 0.000 0.698 86 G HN 0.819 nan 8.290 nan 0.000 0.521 87 K N 0.845 121.291 120.400 0.076 0.000 2.376 87 K HA 0.550 4.872 4.320 0.003 0.000 0.257 87 K C -2.694 173.947 176.600 0.069 0.000 0.939 87 K CA -2.446 53.879 56.287 0.063 0.000 0.809 87 K CB 2.521 35.046 32.500 0.041 0.000 1.121 87 K HN -0.037 nan 8.250 nan 0.000 0.425 88 P HA 0.026 nan 4.420 nan 0.000 0.273 88 P C 0.605 177.929 177.300 0.039 0.000 1.428 88 P CA -0.323 62.811 63.100 0.056 0.000 0.995 88 P CB 0.699 32.419 31.700 0.034 0.000 1.286 89 V N 1.682 121.629 119.914 0.056 0.000 2.992 89 V HA 0.479 4.601 4.120 0.003 0.000 0.250 89 V C 0.812 176.939 176.094 0.055 0.000 1.090 89 V CA 0.911 63.245 62.300 0.056 0.000 1.101 89 V CB -0.559 31.307 31.823 0.072 0.000 0.743 89 V HN 0.497 nan 8.190 nan 0.000 0.468 90 G N -0.826 108.013 108.800 0.066 0.000 2.703 90 G HA2 0.574 4.536 3.960 0.003 0.000 0.294 90 G HA3 0.574 4.536 3.960 0.003 0.000 0.294 90 G C -1.898 172.938 174.900 -0.107 0.000 1.451 90 G CA -0.351 44.725 45.100 -0.040 0.000 0.869 90 G HN 0.192 nan 8.290 nan 0.000 0.516 91 V N 1.081 120.747 119.914 -0.414 0.000 2.444 91 V HA 0.718 4.839 4.120 0.003 0.000 0.294 91 V C -1.012 174.748 176.094 -0.557 0.000 1.022 91 V CA -0.531 61.602 62.300 -0.278 0.000 0.850 91 V CB 0.982 32.704 31.823 -0.168 0.000 0.992 91 V HN 0.591 nan 8.190 nan 0.000 0.426 92 F N 2.321 122.278 119.950 0.011 0.000 2.577 92 F HA 0.611 5.139 4.527 0.003 0.000 0.318 92 F C 0.125 175.935 175.800 0.016 0.000 1.065 92 F CA -1.194 56.814 58.000 0.013 0.000 0.929 92 F CB 1.878 40.886 39.000 0.013 0.000 1.237 92 F HN 0.264 nan 8.300 nan 0.000 0.468 93 K N 1.123 121.649 120.400 0.210 0.000 2.379 93 K HA 0.404 4.726 4.320 0.003 0.000 0.284 93 K C 0.108 176.790 176.600 0.137 0.000 1.044 93 K CA 0.326 56.693 56.287 0.133 0.000 0.974 93 K CB 0.497 33.061 32.500 0.107 0.000 0.962 93 K HN 0.842 nan 8.250 nan 0.000 0.474 94 T N 0.639 115.258 114.554 0.108 0.000 1.796 94 T HA 0.462 4.814 4.350 0.003 0.000 0.177 94 T C -0.529 174.273 174.700 0.170 0.000 0.689 94 T CA -0.176 61.989 62.100 0.109 0.000 1.180 94 T CB 0.055 68.920 68.868 -0.006 0.000 3.041 94 T HN 0.810 nan 8.240 nan 0.000 0.426 95 H N -1.301 117.801 119.070 0.053 0.000 2.948 95 H HA 0.659 5.216 4.556 0.003 0.000 0.315 95 H C 0.794 176.154 175.328 0.053 0.000 1.360 95 H CA -0.257 55.820 56.048 0.047 0.000 1.125 95 H CB 0.742 30.527 29.762 0.038 0.000 1.844 95 H HN 0.462 nan 8.280 nan 0.000 0.529 96 S N -0.681 115.107 115.700 0.146 0.000 2.515 96 S HA -0.082 4.390 4.470 0.003 0.000 0.231 96 S C 0.549 175.195 174.600 0.076 0.000 0.987 96 S CA 0.855 59.106 58.200 0.086 0.000 0.936 96 S CB -0.357 62.906 63.200 0.104 0.000 0.766 96 S HN 0.636 nan 8.310 nan 0.000 0.528 97 N N 1.653 120.455 118.700 0.169 0.000 2.270 97 N HA 0.386 5.128 4.740 0.003 0.000 0.198 97 N C 0.203 175.690 175.510 -0.039 0.000 1.117 97 N CA 0.393 53.531 53.050 0.147 0.000 0.845 97 N CB 0.717 39.373 38.487 0.283 0.000 0.980 97 N HN 0.573 nan 8.380 nan 0.000 0.486 98 A N 1.412 123.988 122.820 -0.405 0.000 2.281 98 A HA 0.657 4.979 4.320 0.003 0.000 0.329 98 A C -2.430 175.088 177.584 -0.110 0.000 1.122 98 A CA -1.444 50.399 52.037 -0.324 0.000 0.850 98 A CB 0.431 19.099 19.000 -0.555 0.000 1.207 98 A HN -0.121 nan 8.150 nan 0.000 0.495 99 P HA 0.167 nan 4.420 nan 0.000 0.269 99 P C 0.332 177.675 177.300 0.071 0.000 1.209 99 P CA -0.257 62.878 63.100 0.058 0.000 0.776 99 P CB 0.484 32.233 31.700 0.082 0.000 0.876 100 R N 0.938 121.517 120.500 0.132 0.000 2.193 100 R HA 0.093 4.435 4.340 0.003 0.000 0.213 100 R C 0.104 176.479 176.300 0.125 0.000 1.055 100 R CA 0.795 56.965 56.100 0.116 0.000 0.995 100 R CB -0.275 30.103 30.300 0.130 0.000 0.893 100 R HN 0.332 nan 8.270 nan 0.000 0.459 101 V N 1.568 121.586 119.914 0.173 0.000 2.686 101 V HA 0.408 4.530 4.120 0.003 0.000 0.306 101 V C -0.487 175.691 176.094 0.140 0.000 1.065 101 V CA -0.836 61.550 62.300 0.144 0.000 0.894 101 V CB 2.632 34.526 31.823 0.119 0.000 1.004 101 V HN -0.049 nan 8.190 nan 0.000 0.424 102 L N 5.299 126.574 121.223 0.087 0.000 2.356 102 L HA 0.676 5.018 4.340 0.003 0.000 0.277 102 L C -0.919 175.970 176.870 0.032 0.000 0.996 102 L CA -0.372 54.506 54.840 0.064 0.000 0.822 102 L CB 1.987 44.078 42.059 0.052 0.000 1.256 102 L HN 0.500 nan 8.230 nan 0.000 0.413 103 I N 2.878 123.461 120.570 0.021 0.000 2.436 103 I HA 0.656 4.828 4.170 0.003 0.000 0.289 103 I C -0.275 175.883 176.117 0.069 0.000 1.010 103 I CA -0.476 60.823 61.300 -0.002 0.000 1.098 103 I CB 2.096 40.042 38.000 -0.091 0.000 1.266 103 I HN 0.641 nan 8.210 nan 0.000 0.434 104 A N 5.849 128.704 122.820 0.058 0.000 2.375 104 A HA 0.714 5.036 4.320 0.003 0.000 0.291 104 A C -1.110 176.492 177.584 0.029 0.000 1.160 104 A CA -0.659 51.425 52.037 0.077 0.000 0.747 104 A CB 0.726 19.753 19.000 0.044 0.000 1.170 104 A HN 0.649 nan 8.150 nan 0.000 0.458 105 N N 0.736 119.419 118.700 -0.027 0.000 2.284 105 N HA 0.523 5.265 4.740 0.003 0.000 0.300 105 N C 0.150 175.623 175.510 -0.062 0.000 1.047 105 N CA 0.217 53.172 53.050 -0.159 0.000 0.821 105 N CB 1.710 39.876 38.487 -0.536 0.000 1.337 105 N HN 0.669 nan 8.380 nan 0.000 0.482 106 S N -0.253 115.493 115.700 0.077 0.000 3.261 106 S HA -0.177 4.294 4.470 0.003 0.000 0.287 106 S C -0.052 174.733 174.600 0.308 0.000 1.281 106 S CA 0.271 58.612 58.200 0.235 0.000 1.053 106 S CB -1.565 61.785 63.200 0.249 0.000 1.251 106 S HN 0.677 nan 8.310 nan 0.000 0.659 107 N N 1.431 120.235 118.700 0.174 0.000 2.470 107 N HA 0.459 5.201 4.740 0.003 0.000 0.268 107 N C -0.334 175.193 175.510 0.029 0.000 1.136 107 N CA 0.406 53.504 53.050 0.079 0.000 0.961 107 N CB 0.603 39.099 38.487 0.015 0.000 1.067 107 N HN 0.418 nan 8.380 nan 0.000 0.468 108 L N 1.671 122.827 121.223 -0.111 0.000 2.386 108 L HA 0.367 4.709 4.340 0.003 0.000 0.271 108 L C 0.042 176.860 176.870 -0.087 0.000 0.993 108 L CA -1.200 53.620 54.840 -0.033 0.000 0.819 108 L CB 2.228 44.348 42.059 0.102 0.000 1.294 108 L HN 0.107 nan 8.230 nan 0.000 0.414 109 V N 4.255 124.173 119.914 0.007 0.000 2.584 109 V HA -0.071 4.051 4.120 0.003 0.000 0.303 109 V C -1.264 174.928 176.094 0.163 0.000 1.035 109 V CA -0.382 61.966 62.300 0.080 0.000 1.172 109 V CB 0.632 32.522 31.823 0.110 0.000 0.896 109 V HN 0.715 nan 8.190 nan 0.000 0.486 110 P HA -0.223 nan 4.420 nan 0.000 0.216 110 P C 1.644 178.949 177.300 0.009 0.000 1.157 110 P CA 1.560 64.659 63.100 -0.002 0.000 0.880 110 P CB 0.056 31.742 31.700 -0.023 0.000 0.791 111 H N -2.259 116.768 119.070 -0.073 0.000 2.489 111 H HA -0.119 4.439 4.556 0.003 0.000 0.295 111 H C 0.977 175.990 175.328 -0.525 0.000 1.082 111 H CA 1.404 57.216 56.048 -0.394 0.000 1.295 111 H CB -0.392 28.931 29.762 -0.731 0.000 1.380 111 H HN 0.279 nan 8.280 nan 0.000 0.548 112 W N -0.351 120.845 121.300 -0.174 0.000 2.991 112 W HA 0.484 5.146 4.660 0.003 0.000 0.391 112 W C 0.267 176.713 176.519 -0.122 0.000 1.054 112 W CA 0.115 57.302 57.345 -0.263 0.000 1.856 112 W CB 0.082 29.291 29.460 -0.417 0.000 1.132 112 W HN 0.159 nan 8.180 nan 0.000 0.601 113 A N 2.722 125.569 122.820 0.044 0.000 3.004 113 A HA 0.313 4.634 4.320 0.003 0.000 0.286 113 A C -0.133 177.449 177.584 -0.004 0.000 1.632 113 A CA 0.152 52.224 52.037 0.060 0.000 1.339 113 A CB -1.324 17.657 19.000 -0.033 0.000 1.136 113 A HN 0.370 nan 8.150 nan 0.000 0.577 114 N N -1.887 116.822 118.700 0.016 0.000 2.610 114 N HA 0.383 5.125 4.740 0.003 0.000 0.264 114 N C 0.020 175.536 175.510 0.010 0.000 1.348 114 N CA -1.000 52.029 53.050 -0.035 0.000 0.819 114 N CB 0.386 38.889 38.487 0.027 0.000 1.521 114 N HN 0.234 nan 8.380 nan 0.000 0.497 115 W N -0.139 121.226 121.300 0.108 0.000 2.374 115 W HA -0.029 4.633 4.660 0.003 0.000 0.288 115 W C 2.029 178.650 176.519 0.171 0.000 1.218 115 W CA 0.907 58.307 57.345 0.092 0.000 1.245 115 W CB 0.156 29.616 29.460 0.001 0.000 1.126 115 W HN 0.773 nan 8.180 nan 0.000 0.545 116 E N -0.259 120.152 120.200 0.353 0.000 2.051 116 E HA -0.322 4.030 4.350 0.003 0.000 0.192 116 E C 1.883 178.644 176.600 0.269 0.000 0.991 116 E CA 1.770 58.329 56.400 0.266 0.000 0.799 116 E CB -0.286 29.530 29.700 0.193 0.000 0.748 116 E HN 0.348 nan 8.360 nan 0.000 0.449 117 H N -0.855 118.334 119.070 0.199 0.000 2.395 117 H HA -0.087 4.471 4.556 0.003 0.000 0.299 117 H C 1.692 177.131 175.328 0.185 0.000 1.070 117 H CA 1.663 57.825 56.048 0.189 0.000 1.356 117 H CB -0.341 29.558 29.762 0.228 0.000 1.401 117 H HN 0.255 nan 8.280 nan 0.000 0.524 118 F N 1.153 121.181 119.950 0.129 0.000 2.091 118 F HA -0.284 4.245 4.527 0.003 0.000 0.299 118 F C 1.967 177.814 175.800 0.079 0.000 1.103 118 F CA 2.251 60.304 58.000 0.089 0.000 1.228 118 F CB -0.518 38.551 39.000 0.114 0.000 0.984 118 F HN 0.245 nan 8.300 nan 0.000 0.477 119 N N -0.305 118.585 118.700 0.317 0.000 2.166 119 N HA -0.233 4.508 4.740 0.003 0.000 0.186 119 N C 1.904 177.401 175.510 -0.022 0.000 1.019 119 N CA 1.129 54.280 53.050 0.168 0.000 0.856 119 N CB -0.340 38.278 38.487 0.219 0.000 0.993 119 N HN 0.490 nan 8.380 nan 0.000 0.426 120 E N 1.341 121.503 120.200 -0.063 0.000 2.051 120 E HA -0.174 4.178 4.350 0.003 0.000 0.192 120 E C 1.919 178.389 176.600 -0.218 0.000 0.991 120 E CA 0.831 57.150 56.400 -0.136 0.000 0.799 120 E CB 0.020 29.617 29.700 -0.171 0.000 0.748 120 E HN 0.330 nan 8.360 nan 0.000 0.449 121 L N 0.788 121.809 121.223 -0.337 0.000 2.046 121 L HA -0.181 4.161 4.340 0.003 0.000 0.208 121 L C 2.468 179.169 176.870 -0.282 0.000 1.077 121 L CA 1.275 55.926 54.840 -0.314 0.000 0.747 121 L CB -0.439 41.414 42.059 -0.345 0.000 0.896 121 L HN 0.196 nan 8.230 nan 0.000 0.432 122 D N 0.292 120.473 120.400 -0.364 0.000 2.123 122 D HA -0.192 4.450 4.640 0.003 0.000 0.196 122 D C 2.172 178.395 176.300 -0.128 0.000 0.992 122 D CA 1.443 55.274 54.000 -0.281 0.000 0.833 122 D CB 0.101 40.742 40.800 -0.264 0.000 0.954 122 D HN 0.250 nan 8.370 nan 0.000 0.455 123 A N 0.172 122.934 122.820 -0.096 0.000 2.024 123 A HA -0.168 4.154 4.320 0.003 0.000 0.220 123 A C 1.924 179.477 177.584 -0.051 0.000 1.164 123 A CA 1.312 53.319 52.037 -0.051 0.000 0.643 123 A CB -0.309 18.669 19.000 -0.036 0.000 0.806 123 A HN 0.241 nan 8.150 nan 0.000 0.451 124 K N -1.493 118.861 120.400 -0.077 0.000 2.387 124 K HA 0.264 4.586 4.320 0.003 0.000 0.198 124 K C 0.898 177.464 176.600 -0.057 0.000 1.022 124 K CA 0.411 56.661 56.287 -0.063 0.000 1.128 124 K CB 0.095 32.550 32.500 -0.076 0.000 0.853 124 K HN 0.610 nan 8.250 nan 0.000 0.523 125 G N 1.672 110.435 108.800 -0.063 0.000 2.147 125 G HA2 -0.254 3.707 3.960 0.003 0.000 0.244 125 G HA3 -0.254 3.707 3.960 0.003 0.000 0.244 125 G C 0.457 175.321 174.900 -0.060 0.000 1.005 125 G CA 0.020 45.092 45.100 -0.047 0.000 0.713 125 G HN 0.310 nan 8.290 nan 0.000 0.515 126 L N -0.479 120.684 121.223 -0.100 0.000 2.693 126 L HA 0.631 4.973 4.340 0.003 0.000 0.235 126 L C 1.230 178.025 176.870 -0.125 0.000 1.127 126 L CA 0.579 55.360 54.840 -0.098 0.000 0.914 126 L CB 0.340 42.337 42.059 -0.104 0.000 1.193 126 L HN 0.501 nan 8.230 nan 0.000 0.502 127 A N 0.837 123.551 122.820 -0.177 0.000 2.454 127 A HA 0.846 5.167 4.320 0.003 0.000 0.302 127 A C -0.947 176.587 177.584 -0.082 0.000 1.079 127 A CA -0.391 51.491 52.037 -0.259 0.000 0.731 127 A CB 2.334 20.866 19.000 -0.779 0.000 1.299 127 A HN 0.063 nan 8.150 nan 0.000 0.413 128 M N 1.855 121.520 119.600 0.109 0.000 2.294 128 M HA 0.318 4.800 4.480 0.003 0.000 0.280 128 M C -2.323 174.263 176.300 0.478 0.000 1.085 128 M CA -0.519 54.943 55.300 0.270 0.000 0.969 128 M CB 1.695 34.370 32.600 0.126 0.000 1.770 128 M HN 0.833 nan 8.290 nan 0.000 0.485 129 Y N 3.260 123.790 120.300 0.383 0.000 2.436 129 Y HA 0.499 5.051 4.550 0.003 0.000 0.343 129 Y C 0.823 176.724 175.900 0.001 0.000 1.008 129 Y CA 0.440 58.629 58.100 0.148 0.000 1.241 129 Y CB 1.465 39.955 38.460 0.050 0.000 1.153 129 Y HN 0.810 nan 8.280 nan 0.000 0.521 130 G N 4.102 112.767 108.800 -0.224 0.000 2.880 130 G HA2 0.003 3.965 3.960 0.003 0.000 0.209 130 G HA3 0.003 3.965 3.960 0.003 0.000 0.209 130 G C 0.618 175.275 174.900 -0.406 0.000 1.157 130 G CA 0.194 45.073 45.100 -0.369 0.000 0.779 130 G HN 0.685 nan 8.290 nan 0.000 0.539 131 Q N -1.086 118.183 119.800 -0.885 0.000 1.932 131 Q HA -0.293 4.048 4.340 0.003 0.000 0.407 131 Q C 1.859 177.828 176.000 -0.052 0.000 0.787 131 Q CA 1.982 57.368 55.803 -0.695 0.000 0.852 131 Q CB -1.204 27.051 28.738 -0.806 0.000 3.472 131 Q HN 0.370 nan 8.270 nan 0.000 0.793 132 M N -1.203 118.380 119.600 -0.028 0.000 2.749 132 M HA 0.030 4.512 4.480 0.003 0.000 0.240 132 M C 1.976 178.020 176.300 -0.426 0.000 1.285 132 M CA 2.221 57.358 55.300 -0.271 0.000 1.267 132 M CB -0.907 31.563 32.600 -0.216 0.000 1.184 132 M HN 0.715 nan 8.290 nan 0.000 0.526 133 T N -1.826 112.736 114.554 0.014 0.000 3.054 133 T HA 0.474 4.826 4.350 0.003 0.000 0.255 133 T C 1.653 176.530 174.700 0.295 0.000 1.035 133 T CA 0.466 62.663 62.100 0.161 0.000 0.941 133 T CB 0.002 69.055 68.868 0.307 0.000 1.026 133 T HN 0.204 nan 8.240 nan 0.000 0.533 134 A N 2.143 125.067 122.820 0.172 0.000 1.841 134 A HA 0.322 4.644 4.320 0.003 0.000 0.214 134 A C 2.531 180.222 177.584 0.179 0.000 1.195 134 A CA 1.445 53.510 52.037 0.046 0.000 0.611 134 A CB -1.452 17.329 19.000 -0.366 0.000 0.835 134 A HN 0.573 nan 8.150 nan 0.000 0.443 135 G N -0.915 107.969 108.800 0.139 0.000 2.650 135 G HA2 0.088 4.050 3.960 0.003 0.000 0.214 135 G HA3 0.088 4.050 3.960 0.003 0.000 0.214 135 G C 1.360 176.233 174.900 -0.045 0.000 1.136 135 G CA 1.361 46.534 45.100 0.121 0.000 0.789 135 G HN 0.915 nan 8.290 nan 0.000 0.536 136 S N -1.606 114.139 115.700 0.076 0.000 2.593 136 S HA 0.170 4.641 4.470 0.003 0.000 0.236 136 S C 0.268 175.012 174.600 0.240 0.000 0.991 136 S CA -0.370 57.796 58.200 -0.057 0.000 0.963 136 S CB -0.316 62.947 63.200 0.106 0.000 0.865 136 S HN 0.464 nan 8.310 nan 0.000 0.488 137 W N 0.292 121.802 121.300 0.349 0.000 5.820 137 W HA -0.161 4.500 4.660 0.002 0.000 0.415 137 W C -0.064 176.738 176.519 0.472 0.000 1.627 137 W CA -0.221 57.326 57.345 0.337 0.000 0.991 137 W CB -2.614 26.939 29.460 0.155 0.000 2.842 137 W HN 0.506 nan 8.180 nan 0.000 1.416 138 I N -0.589 120.313 120.570 0.553 0.000 3.768 138 I HA 0.196 4.367 4.170 0.003 0.000 0.328 138 I C -0.148 176.165 176.117 0.328 0.000 1.413 138 I CA -1.042 60.502 61.300 0.407 0.000 1.003 138 I CB -0.207 37.971 38.000 0.297 0.000 1.727 138 I HN -0.031 nan 8.210 nan 0.000 0.657 139 Y N 2.977 123.421 120.300 0.240 0.000 2.377 139 Y HA 0.447 4.998 4.550 0.003 0.000 0.330 139 Y C 1.022 177.006 175.900 0.140 0.000 1.108 139 Y CA -0.005 58.202 58.100 0.179 0.000 1.308 139 Y CB 0.828 39.435 38.460 0.244 0.000 1.216 139 Y HN 0.287 nan 8.280 nan 0.000 0.518 140 I N 3.505 123.800 120.570 -0.459 0.000 3.707 140 I HA 0.676 4.848 4.170 0.003 0.000 0.330 140 I C 0.620 176.454 176.117 -0.471 0.000 1.572 140 I CA 0.125 61.232 61.300 -0.321 0.000 1.104 140 I CB -0.028 37.892 38.000 -0.134 0.000 1.240 140 I HN 0.841 nan 8.210 nan 0.000 0.475 141 G N 2.460 110.627 108.800 -1.054 0.000 2.527 141 G HA2 -0.316 3.645 3.960 0.003 0.000 0.227 141 G HA3 -0.316 3.645 3.960 0.003 0.000 0.227 141 G C 0.567 175.263 174.900 -0.340 0.000 1.291 141 G CA 0.212 44.986 45.100 -0.544 0.000 0.904 141 G HN 0.742 nan 8.290 nan 0.000 0.577 142 S N -0.233 115.444 115.700 -0.038 0.000 2.515 142 S HA -0.013 4.458 4.470 0.003 0.000 0.231 142 S C 1.987 176.630 174.600 0.072 0.000 0.987 142 S CA 1.609 59.855 58.200 0.077 0.000 0.936 142 S CB 0.139 63.463 63.200 0.207 0.000 0.766 142 S HN 0.888 nan 8.310 nan 0.000 0.528 143 Q N 1.570 121.384 119.800 0.024 0.000 2.181 143 Q HA -0.091 4.251 4.340 0.003 0.000 0.205 143 Q C 2.102 178.150 176.000 0.080 0.000 0.980 143 Q CA 1.614 57.465 55.803 0.080 0.000 0.862 143 Q CB -0.882 27.901 28.738 0.076 0.000 0.905 143 Q HN 0.719 nan 8.270 nan 0.000 0.429 144 G N 1.277 110.086 108.800 0.014 0.000 2.511 144 G HA2 -0.308 3.654 3.960 0.003 0.000 0.216 144 G HA3 -0.308 3.654 3.960 0.003 0.000 0.216 144 G C 1.349 176.301 174.900 0.086 0.000 1.218 144 G CA 0.905 46.031 45.100 0.043 0.000 0.788 144 G HN 0.475 nan 8.290 nan 0.000 0.560 145 I N 0.204 120.822 120.570 0.079 0.000 2.315 145 I HA -0.114 4.057 4.170 0.003 0.000 0.248 145 I C 2.709 178.883 176.117 0.095 0.000 1.117 145 I CA 0.655 62.010 61.300 0.092 0.000 1.404 145 I CB 0.053 38.104 38.000 0.085 0.000 1.071 145 I HN 0.079 nan 8.210 nan 0.000 0.419 146 V N 0.720 120.708 119.914 0.123 0.000 2.261 146 V HA -0.285 3.837 4.120 0.003 0.000 0.246 146 V C 2.479 178.620 176.094 0.079 0.000 1.047 146 V CA 2.009 64.385 62.300 0.128 0.000 1.015 146 V CB -0.862 31.044 31.823 0.139 0.000 0.642 146 V HN 0.517 nan 8.190 nan 0.000 0.446 147 Q N 0.502 120.314 119.800 0.021 0.000 2.084 147 Q HA -0.165 4.177 4.340 0.003 0.000 0.202 147 Q C 2.276 178.212 176.000 -0.107 0.000 0.978 147 Q CA 2.244 57.884 55.803 -0.272 0.000 0.844 147 Q CB -0.785 27.769 28.738 -0.306 0.000 0.898 147 Q HN 0.634 nan 8.270 nan 0.000 0.426 148 G N -0.350 108.480 108.800 0.050 0.000 2.440 148 G HA2 -0.247 3.715 3.960 0.003 0.000 0.218 148 G HA3 -0.247 3.715 3.960 0.003 0.000 0.218 148 G C 1.427 176.305 174.900 -0.037 0.000 1.154 148 G CA 1.468 46.631 45.100 0.105 0.000 0.767 148 G HN 0.442 nan 8.290 nan 0.000 0.552 149 T N -0.251 114.273 114.554 -0.050 0.000 2.857 149 T HA -0.120 4.232 4.350 0.003 0.000 0.266 149 T C 1.941 176.449 174.700 -0.320 0.000 1.048 149 T CA 1.122 63.097 62.100 -0.208 0.000 1.139 149 T CB -0.357 68.384 68.868 -0.212 0.000 0.874 149 T HN 0.365 nan 8.240 nan 0.000 0.455 150 Y N 2.274 122.439 120.300 -0.225 0.000 2.114 150 Y HA -0.265 4.286 4.550 0.003 0.000 0.282 150 Y C 2.489 178.229 175.900 -0.266 0.000 1.165 150 Y CA 1.973 59.983 58.100 -0.149 0.000 1.148 150 Y CB -0.275 38.086 38.460 -0.165 0.000 0.972 150 Y HN 0.096 nan 8.280 nan 0.000 0.504 151 E N -0.412 119.569 120.200 -0.365 0.000 2.085 151 E HA -0.157 4.195 4.350 0.003 0.000 0.194 151 E C 2.182 178.419 176.600 -0.604 0.000 0.994 151 E CA 2.115 58.122 56.400 -0.655 0.000 0.801 151 E CB -0.495 28.511 29.700 -1.157 0.000 0.743 151 E HN 0.543 nan 8.360 nan 0.000 0.453 152 T N 0.242 114.500 114.554 -0.494 0.000 2.652 152 T HA -0.145 4.207 4.350 0.003 0.000 0.267 152 T C 1.413 175.860 174.700 -0.421 0.000 1.039 152 T CA 1.442 63.277 62.100 -0.443 0.000 1.153 152 T CB -0.439 68.189 68.868 -0.400 0.000 0.863 152 T HN 0.107 nan 8.240 nan 0.000 0.428 153 F N 1.059 120.838 119.950 -0.285 0.000 2.134 153 F HA -0.030 4.498 4.527 0.003 0.000 0.299 153 F C 2.553 178.131 175.800 -0.369 0.000 1.097 153 F CA -0.216 57.630 58.000 -0.256 0.000 1.264 153 F CB -1.439 37.485 39.000 -0.128 0.000 1.001 153 F HN -0.021 nan 8.300 nan 0.000 0.479 154 V N -0.134 119.583 119.914 -0.329 0.000 2.427 154 V HA -0.248 3.873 4.120 0.003 0.000 0.248 154 V C 2.392 178.242 176.094 -0.407 0.000 1.051 154 V CA 2.039 64.080 62.300 -0.431 0.000 1.048 154 V CB -0.541 30.876 31.823 -0.678 0.000 0.666 154 V HN 0.214 nan 8.190 nan 0.000 0.456 155 E N 0.995 120.933 120.200 -0.437 0.000 2.047 155 E HA -0.139 4.212 4.350 0.003 0.000 0.191 155 E C 2.147 178.493 176.600 -0.424 0.000 0.987 155 E CA 1.631 57.795 56.400 -0.394 0.000 0.799 155 E CB -0.551 28.931 29.700 -0.363 0.000 0.752 155 E HN 0.458 nan 8.360 nan 0.000 0.449 156 A N 0.356 122.754 122.820 -0.704 0.000 1.917 156 A HA -0.125 4.196 4.320 0.003 0.000 0.219 156 A C 2.481 179.915 177.584 -0.250 0.000 1.182 156 A CA 2.035 53.576 52.037 -0.826 0.000 0.633 156 A CB -1.478 16.854 19.000 -1.114 0.000 0.819 156 A HN 0.432 nan 8.150 nan 0.000 0.448 157 G N -0.968 107.728 108.800 -0.173 0.000 2.408 157 G HA2 -0.194 3.767 3.960 0.003 0.000 0.217 157 G HA3 -0.194 3.767 3.960 0.003 0.000 0.217 157 G C 1.768 176.634 174.900 -0.057 0.000 1.150 157 G CA 0.821 45.924 45.100 0.005 0.000 0.776 157 G HN 0.569 nan 8.290 nan 0.000 0.542 158 R N -0.145 120.231 120.500 -0.206 0.000 2.075 158 R HA -0.025 4.317 4.340 0.003 0.000 0.232 158 R C 2.822 179.024 176.300 -0.164 0.000 1.126 158 R CA 1.402 57.380 56.100 -0.204 0.000 0.963 158 R CB -0.301 29.829 30.300 -0.284 0.000 0.858 158 R HN 0.437 nan 8.270 nan 0.000 0.435 159 Q N -0.667 118.994 119.800 -0.230 0.000 2.016 159 Q HA -0.136 4.205 4.340 0.003 0.000 0.200 159 Q C 1.974 177.739 176.000 -0.391 0.000 0.978 159 Q CA 1.215 56.831 55.803 -0.311 0.000 0.833 159 Q CB 0.014 28.525 28.738 -0.379 0.000 0.895 159 Q HN 0.573 nan 8.270 nan 0.000 0.427 160 H N -1.910 116.988 119.070 -0.286 0.000 2.431 160 H HA 0.003 4.561 4.556 0.003 0.000 0.295 160 H C 0.630 175.697 175.328 -0.437 0.000 1.038 160 H CA 0.989 56.733 56.048 -0.508 0.000 1.360 160 H CB 0.458 29.623 29.762 -0.995 0.000 1.433 160 H HN 0.271 nan 8.280 nan 0.000 0.536 161 Y N -0.362 119.983 120.300 0.075 0.000 2.641 161 Y HA 0.333 4.884 4.550 0.003 0.000 0.248 161 Y C 1.533 177.449 175.900 0.027 0.000 1.170 161 Y CA -0.226 57.901 58.100 0.044 0.000 1.201 161 Y CB 0.564 39.042 38.460 0.031 0.000 1.232 161 Y HN 0.247 nan 8.280 nan 0.000 0.537 162 G N 0.506 109.376 108.800 0.117 0.000 2.225 162 G HA2 -0.137 3.824 3.960 0.003 0.000 0.267 162 G HA3 -0.137 3.824 3.960 0.003 0.000 0.267 162 G C 1.342 176.325 174.900 0.140 0.000 1.024 162 G CA 0.611 45.766 45.100 0.092 0.000 0.784 162 G HN 1.218 nan 8.290 nan 0.000 0.507 163 G N -1.724 107.152 108.800 0.127 0.000 2.155 163 G HA2 -0.013 3.949 3.960 0.003 0.000 0.257 163 G HA3 -0.013 3.949 3.960 0.003 0.000 0.257 163 G C 0.492 175.566 174.900 0.290 0.000 0.983 163 G CA 1.232 46.474 45.100 0.236 0.000 0.676 163 G HN 2.135 nan 8.290 nan 0.000 0.528 164 S N -0.048 115.758 115.700 0.177 0.000 2.434 164 S HA 0.643 5.114 4.470 0.003 0.000 0.318 164 S C 1.270 175.898 174.600 0.048 0.000 1.062 164 S CA -0.688 57.574 58.200 0.104 0.000 1.116 164 S CB 0.224 63.466 63.200 0.071 0.000 0.977 164 S HN 0.361 nan 8.310 nan 0.000 0.480 165 L N 3.495 124.741 121.223 0.039 0.000 2.693 165 L HA 0.345 4.687 4.340 0.003 0.000 0.235 165 L C 1.172 178.025 176.870 -0.029 0.000 1.127 165 L CA -0.134 54.692 54.840 -0.022 0.000 0.914 165 L CB -0.024 42.039 42.059 0.007 0.000 1.193 165 L HN 0.524 nan 8.230 nan 0.000 0.502 166 K N 1.211 121.608 120.400 -0.005 0.000 2.472 166 K HA 0.129 4.451 4.320 0.003 0.000 0.280 166 K C 1.132 177.723 176.600 -0.015 0.000 1.028 166 K CA 1.022 57.308 56.287 -0.001 0.000 1.045 166 K CB 0.302 32.806 32.500 0.006 0.000 0.902 166 K HN 0.232 nan 8.250 nan 0.000 0.478 167 G N 3.131 111.933 108.800 0.003 0.000 2.179 167 G HA2 -0.278 3.684 3.960 0.003 0.000 0.260 167 G HA3 -0.278 3.684 3.960 0.003 0.000 0.260 167 G C -0.248 174.667 174.900 0.025 0.000 0.977 167 G CA 0.392 45.499 45.100 0.012 0.000 0.641 167 G HN 0.594 nan 8.290 nan 0.000 0.533 168 K N -0.144 120.252 120.400 -0.007 0.000 2.123 168 K HA 0.667 4.989 4.320 0.003 0.000 0.248 168 K C 0.014 176.679 176.600 0.108 0.000 0.969 168 K CA -0.569 55.702 56.287 -0.026 0.000 0.882 168 K CB 1.445 33.793 32.500 -0.253 0.000 1.080 168 K HN 0.425 nan 8.250 nan 0.000 0.441 169 W N 0.004 121.204 121.300 -0.168 0.000 3.032 169 W HA 0.502 5.163 4.660 0.003 0.000 0.335 169 W C -1.550 174.849 176.519 -0.201 0.000 1.154 169 W CA -1.007 56.241 57.345 -0.161 0.000 1.204 169 W CB -0.061 29.326 29.460 -0.122 0.000 1.416 169 W HN 0.081 nan 8.180 nan 0.000 0.521 170 V N 4.223 124.062 119.914 -0.124 0.000 2.427 170 V HA 0.297 4.419 4.120 0.003 0.000 0.286 170 V C -0.292 175.683 176.094 -0.198 0.000 1.034 170 V CA -0.714 61.390 62.300 -0.327 0.000 0.893 170 V CB 1.272 32.798 31.823 -0.494 0.000 0.982 170 V HN 0.437 nan 8.190 nan 0.000 0.452 171 L N 5.196 126.191 121.223 -0.381 0.000 2.296 171 L HA 0.829 5.170 4.340 0.003 0.000 0.286 171 L C -0.113 176.646 176.870 -0.184 0.000 1.023 171 L CA 0.989 55.693 54.840 -0.227 0.000 0.812 171 L CB 1.572 43.380 42.059 -0.418 0.000 1.223 171 L HN 0.854 nan 8.230 nan 0.000 0.421 172 T N 3.192 117.711 114.554 -0.060 0.000 2.671 172 T HA 0.920 5.272 4.350 0.003 0.000 0.300 172 T C -1.759 172.956 174.700 0.026 0.000 1.238 172 T CA 0.047 62.134 62.100 -0.021 0.000 1.020 172 T CB 1.331 70.204 68.868 0.008 0.000 1.503 172 T HN 0.966 nan 8.240 nan 0.000 0.497 173 A N -0.365 122.484 122.820 0.049 0.000 2.556 173 A HA 0.891 5.212 4.320 0.003 0.000 0.294 173 A C 0.125 177.735 177.584 0.044 0.000 1.091 173 A CA -0.062 52.004 52.037 0.048 0.000 0.704 173 A CB 1.096 20.137 19.000 0.069 0.000 1.300 173 A HN 2.253 nan 8.150 nan 0.000 0.406 174 G N -0.547 108.269 108.800 0.027 0.000 3.436 174 G HA2 0.124 4.086 3.960 0.003 0.000 0.685 174 G HA3 0.124 4.086 3.960 0.003 0.000 0.685 174 G C -0.609 174.301 174.900 0.018 0.000 1.039 174 G CA -0.188 44.926 45.100 0.023 0.000 0.879 174 G HN 1.299 nan 8.290 nan 0.000 0.478 175 L N 2.798 124.027 121.223 0.011 0.000 3.141 175 L HA 0.441 4.783 4.340 0.003 0.000 0.263 175 L C 1.611 178.491 176.870 0.017 0.000 1.312 175 L CA 0.091 54.947 54.840 0.027 0.000 1.012 175 L CB 0.145 42.227 42.059 0.039 0.000 1.408 175 L HN 0.755 nan 8.230 nan 0.000 0.559 176 G N -0.565 108.241 108.800 0.009 0.000 2.582 176 G HA2 0.307 4.269 3.960 0.003 0.000 0.232 176 G HA3 0.307 4.269 3.960 0.003 0.000 0.232 176 G C 1.096 176.000 174.900 0.006 0.000 1.458 176 G CA 0.299 45.399 45.100 0.001 0.000 1.062 176 G HN 0.248 nan 8.290 nan 0.000 0.566 177 G N -0.576 108.231 108.800 0.011 0.000 2.469 177 G HA2 -0.202 3.760 3.960 0.003 0.000 0.219 177 G HA3 -0.202 3.760 3.960 0.003 0.000 0.219 177 G C 1.686 176.606 174.900 0.033 0.000 1.150 177 G CA 1.373 46.485 45.100 0.020 0.000 0.763 177 G HN 0.402 nan 8.290 nan 0.000 0.561 178 M N -0.242 119.375 119.600 0.027 0.000 2.691 178 M HA 0.207 4.688 4.480 0.003 0.000 0.261 178 M C 2.801 179.077 176.300 -0.039 0.000 1.227 178 M CA 0.779 56.081 55.300 0.004 0.000 1.197 178 M CB 0.220 32.819 32.600 -0.001 0.000 1.294 178 M HN 0.210 nan 8.290 nan 0.000 0.508 179 G N 0.392 109.169 108.800 -0.039 0.000 2.448 179 G HA2 -0.119 3.843 3.960 0.003 0.000 0.219 179 G HA3 -0.119 3.843 3.960 0.003 0.000 0.219 179 G C 1.481 176.389 174.900 0.014 0.000 1.127 179 G CA 0.926 45.995 45.100 -0.052 0.000 0.766 179 G HN 0.560 nan 8.290 nan 0.000 0.552 180 G N 0.830 109.657 108.800 0.045 0.000 2.470 180 G HA2 0.076 4.038 3.960 0.003 0.000 0.220 180 G HA3 0.076 4.038 3.960 0.003 0.000 0.220 180 G C 1.811 176.845 174.900 0.223 0.000 1.121 180 G CA 1.239 46.396 45.100 0.095 0.000 0.766 180 G HN 0.601 nan 8.290 nan 0.000 0.553 181 A N 0.055 122.993 122.820 0.197 0.000 2.119 181 A HA 0.085 4.407 4.320 0.003 0.000 0.216 181 A C 2.238 179.941 177.584 0.199 0.000 1.152 181 A CA 1.356 53.556 52.037 0.272 0.000 0.708 181 A CB -0.198 18.906 19.000 0.173 0.000 0.805 181 A HN 0.455 nan 8.150 nan 0.000 0.460 182 Q N 0.012 119.902 119.800 0.151 0.000 2.030 182 Q HA -0.147 4.195 4.340 0.003 0.000 0.204 182 Q C -0.486 175.694 176.000 0.300 0.000 0.986 182 Q CA 1.895 57.851 55.803 0.255 0.000 0.843 182 Q CB -1.080 27.777 28.738 0.198 0.000 0.904 182 Q HN 0.539 nan 8.270 nan 0.000 0.420 183 P HA -0.192 nan 4.420 nan 0.000 0.215 183 P C 1.454 178.829 177.300 0.125 0.000 1.153 183 P CA 1.112 64.296 63.100 0.140 0.000 0.853 183 P CB -0.023 31.751 31.700 0.123 0.000 0.788 184 L N 0.010 121.300 121.223 0.112 0.000 2.056 184 L HA -0.001 4.340 4.340 0.003 0.000 0.207 184 L C 2.573 179.520 176.870 0.129 0.000 1.078 184 L CA 1.954 56.803 54.840 0.015 0.000 0.749 184 L CB -1.619 40.299 42.059 -0.235 0.000 0.901 184 L HN -0.101 nan 8.230 nan 0.000 0.433 185 A N -0.330 122.627 122.820 0.228 0.000 1.883 185 A HA -0.193 4.129 4.320 0.003 0.000 0.217 185 A C 2.464 180.326 177.584 0.463 0.000 1.186 185 A CA 2.153 54.416 52.037 0.377 0.000 0.624 185 A CB -1.285 17.910 19.000 0.326 0.000 0.822 185 A HN 0.579 nan 8.150 nan 0.000 0.444 186 A N -1.133 121.918 122.820 0.384 0.000 1.883 186 A HA -0.116 4.205 4.320 0.003 0.000 0.217 186 A C 2.330 179.979 177.584 0.109 0.000 1.186 186 A CA 2.433 54.537 52.037 0.111 0.000 0.624 186 A CB -1.429 17.500 19.000 -0.119 0.000 0.822 186 A HN 0.445 nan 8.150 nan 0.000 0.444 187 T N 0.633 115.252 114.554 0.109 0.000 2.684 187 T HA -0.135 4.217 4.350 0.003 0.000 0.267 187 T C 1.800 176.576 174.700 0.126 0.000 1.036 187 T CA 1.626 63.773 62.100 0.078 0.000 1.148 187 T CB -0.443 68.446 68.868 0.035 0.000 0.863 187 T HN 0.375 nan 8.240 nan 0.000 0.436 188 L N 0.676 122.022 121.223 0.206 0.000 2.141 188 L HA -0.031 4.310 4.340 0.003 0.000 0.209 188 L C 2.960 180.119 176.870 0.481 0.000 1.094 188 L CA 1.038 56.054 54.840 0.293 0.000 0.763 188 L CB -0.641 41.605 42.059 0.312 0.000 0.908 188 L HN 0.240 nan 8.230 nan 0.000 0.437 189 A N -0.347 122.742 122.820 0.449 0.000 2.121 189 A HA 0.109 4.431 4.320 0.003 0.000 0.218 189 A C 1.800 179.482 177.584 0.163 0.000 1.154 189 A CA 1.186 53.366 52.037 0.237 0.000 0.679 189 A CB -0.478 18.541 19.000 0.031 0.000 0.795 189 A HN 0.572 nan 8.150 nan 0.000 0.458 190 G N -3.007 105.876 108.800 0.138 0.000 2.148 190 G HA2 0.226 4.187 3.960 0.003 0.000 0.203 190 G HA3 0.226 4.187 3.960 0.003 0.000 0.203 190 G C 0.173 175.098 174.900 0.042 0.000 0.993 190 G CA 0.163 45.313 45.100 0.083 0.000 0.661 190 G HN 1.548 nan 8.290 nan 0.000 0.518 191 A N -0.812 122.025 122.820 0.027 0.000 2.325 191 A HA 0.775 5.097 4.320 0.003 0.000 0.333 191 A C 0.797 178.394 177.584 0.022 0.000 1.155 191 A CA 0.105 52.143 52.037 0.001 0.000 0.814 191 A CB 1.067 20.026 19.000 -0.068 0.000 1.206 191 A HN 0.962 nan 8.150 nan 0.000 0.482 192 C N 1.211 120.548 119.300 0.062 0.000 2.580 192 C HA 0.702 5.163 4.460 0.003 0.000 0.371 192 C C 1.003 176.059 174.990 0.109 0.000 1.308 192 C CA 0.199 59.269 59.018 0.088 0.000 2.428 192 C CB 0.315 28.120 27.740 0.107 0.000 2.529 192 C HN 1.032 nan 8.230 nan 0.000 0.657 193 S N 0.711 116.473 115.700 0.104 0.000 2.537 193 S HA 0.675 5.146 4.470 0.003 0.000 0.270 193 S C -1.400 173.276 174.600 0.127 0.000 1.142 193 S CA -0.698 57.572 58.200 0.116 0.000 0.870 193 S CB 1.237 64.445 63.200 0.014 0.000 1.112 193 S HN 0.594 nan 8.310 nan 0.000 0.466 194 L N 2.321 123.659 121.223 0.191 0.000 2.305 194 L HA 0.600 4.941 4.340 0.003 0.000 0.284 194 L C -1.213 175.713 176.870 0.094 0.000 1.013 194 L CA -0.400 54.516 54.840 0.127 0.000 0.819 194 L CB 1.045 43.211 42.059 0.177 0.000 1.227 194 L HN 0.836 nan 8.230 nan 0.000 0.417 195 N N 6.814 125.552 118.700 0.063 0.000 2.479 195 N HA 0.415 5.156 4.740 0.003 0.000 0.261 195 N C -0.991 174.542 175.510 0.039 0.000 0.979 195 N CA -0.332 52.749 53.050 0.052 0.000 0.930 195 N CB 1.908 40.430 38.487 0.058 0.000 1.172 195 N HN 0.514 nan 8.380 nan 0.000 0.499 196 I N 1.503 122.089 120.570 0.027 0.000 2.342 196 I HA 0.191 4.362 4.170 0.003 0.000 0.291 196 I C 0.245 176.360 176.117 -0.002 0.000 1.010 196 I CA -0.227 61.077 61.300 0.007 0.000 1.308 196 I CB 0.964 38.954 38.000 -0.016 0.000 1.400 196 I HN 0.428 nan 8.210 nan 0.000 0.488 197 E N 3.743 123.943 120.200 0.000 0.000 2.304 197 E HA 0.267 4.619 4.350 0.003 0.000 0.277 197 E C 0.058 176.659 176.600 0.001 0.000 0.898 197 E CA -0.626 55.767 56.400 -0.012 0.000 0.764 197 E CB 1.647 31.348 29.700 0.001 0.000 1.216 197 E HN 0.495 nan 8.360 nan 0.000 0.419 198 S N 3.256 118.908 115.700 -0.080 0.000 2.496 198 S HA 0.057 4.529 4.470 0.003 0.000 0.224 198 S C 0.331 174.907 174.600 -0.041 0.000 0.996 198 S CA 0.074 58.219 58.200 -0.092 0.000 0.927 198 S CB -0.093 63.087 63.200 -0.033 0.000 0.774 198 S HN 0.526 nan 8.310 nan 0.000 0.524 199 Q N 1.145 120.814 119.800 -0.218 0.000 2.340 199 Q HA 0.329 4.671 4.340 0.003 0.000 0.259 199 Q C 0.369 176.283 176.000 -0.142 0.000 0.964 199 Q CA -0.514 55.117 55.803 -0.288 0.000 0.900 199 Q CB 1.540 29.925 28.738 -0.589 0.000 1.228 199 Q HN 0.229 nan 8.270 nan 0.000 0.449 200 Q N 1.677 121.338 119.800 -0.233 0.000 2.181 200 Q HA -0.197 4.145 4.340 0.003 0.000 0.205 200 Q C 1.759 177.655 176.000 -0.172 0.000 0.980 200 Q CA 2.422 58.008 55.803 -0.361 0.000 0.862 200 Q CB 0.030 28.453 28.738 -0.525 0.000 0.905 200 Q HN 0.743 nan 8.270 nan 0.000 0.429 201 S N -0.644 114.974 115.700 -0.137 0.000 2.423 201 S HA -0.105 4.367 4.470 0.003 0.000 0.231 201 S C 1.801 176.381 174.600 -0.033 0.000 1.014 201 S CA 0.752 58.907 58.200 -0.075 0.000 0.965 201 S CB -0.247 62.906 63.200 -0.078 0.000 0.785 201 S HN 0.405 nan 8.310 nan 0.000 0.495 202 R N 0.615 121.074 120.500 -0.068 0.000 2.119 202 R HA 0.256 4.597 4.340 0.003 0.000 0.222 202 R C 2.242 178.572 176.300 0.049 0.000 1.088 202 R CA 1.112 57.204 56.100 -0.014 0.000 0.984 202 R CB -0.511 29.742 30.300 -0.079 0.000 0.884 202 R HN 0.471 nan 8.270 nan 0.000 0.447 203 I N 1.284 121.855 120.570 0.001 0.000 2.179 203 I HA -0.268 3.904 4.170 0.003 0.000 0.242 203 I C 1.668 177.795 176.117 0.018 0.000 1.088 203 I CA 1.286 62.592 61.300 0.010 0.000 1.357 203 I CB -0.367 37.622 38.000 -0.018 0.000 1.051 203 I HN 0.047 nan 8.210 nan 0.000 0.409 204 D N 0.821 121.225 120.400 0.007 0.000 2.104 204 D HA -0.241 4.400 4.640 0.003 0.000 0.194 204 D C 1.953 178.281 176.300 0.047 0.000 0.994 204 D CA 1.439 55.448 54.000 0.014 0.000 0.830 204 D CB -0.486 40.319 40.800 0.008 0.000 0.959 204 D HN 0.260 nan 8.370 nan 0.000 0.452 205 F N 1.814 121.733 119.950 -0.052 0.000 2.126 205 F HA -0.182 4.347 4.527 0.003 0.000 0.299 205 F C 2.163 177.932 175.800 -0.051 0.000 1.096 205 F CA 1.352 59.321 58.000 -0.053 0.000 1.255 205 F CB 0.126 39.085 39.000 -0.069 0.000 0.997 205 F HN -0.202 nan 8.300 nan 0.000 0.479 206 R N 0.380 120.864 120.500 -0.027 0.000 2.148 206 R HA -0.009 4.333 4.340 0.003 0.000 0.223 206 R C 2.309 178.574 176.300 -0.058 0.000 1.088 206 R CA 0.946 56.996 56.100 -0.083 0.000 0.985 206 R CB -1.066 29.269 30.300 0.058 0.000 0.880 206 R HN 0.399 nan 8.270 nan 0.000 0.451 207 L N 0.478 121.673 121.223 -0.046 0.000 2.056 207 L HA -0.130 4.211 4.340 0.003 0.000 0.207 207 L C 2.141 178.968 176.870 -0.072 0.000 1.078 207 L CA 1.372 56.190 54.840 -0.038 0.000 0.749 207 L CB -0.345 41.699 42.059 -0.024 0.000 0.901 207 L HN 0.161 nan 8.230 nan 0.000 0.433 208 E N -0.445 119.682 120.200 -0.121 0.000 2.110 208 E HA -0.189 4.162 4.350 0.003 0.000 0.193 208 E C 1.816 178.314 176.600 -0.169 0.000 0.988 208 E CA 1.773 58.091 56.400 -0.136 0.000 0.804 208 E CB -0.056 29.557 29.700 -0.146 0.000 0.745 208 E HN 0.540 nan 8.360 nan 0.000 0.458 209 T N -2.097 112.298 114.554 -0.265 0.000 3.107 209 T HA 0.165 4.517 4.350 0.003 0.000 0.249 209 T C 0.618 175.347 174.700 0.048 0.000 1.096 209 T CA -0.260 61.731 62.100 -0.182 0.000 1.012 209 T CB 0.018 68.631 68.868 -0.426 0.000 0.977 209 T HN 0.093 nan 8.240 nan 0.000 0.527 210 R N -1.056 119.451 120.500 0.012 0.000 3.875 210 R HA -0.217 4.124 4.340 0.003 0.000 0.321 210 R C 0.033 176.372 176.300 0.065 0.000 1.196 210 R CA 0.887 57.000 56.100 0.022 0.000 0.868 210 R CB -2.559 27.727 30.300 -0.023 0.000 1.333 210 R HN 0.440 nan 8.270 nan 0.000 0.522 211 Y N -0.408 119.847 120.300 -0.075 0.000 2.263 211 Y HA 0.059 4.611 4.550 0.003 0.000 0.292 211 Y C 1.559 177.454 175.900 -0.008 0.000 1.130 211 Y CA 1.431 59.514 58.100 -0.029 0.000 1.179 211 Y CB 0.518 38.968 38.460 -0.018 0.000 0.998 211 Y HN 0.079 nan 8.280 nan 0.000 0.532 212 V N 0.323 120.316 119.914 0.132 0.000 2.513 212 V HA 0.210 4.331 4.120 0.003 0.000 0.299 212 V C 0.162 176.271 176.094 0.025 0.000 1.035 212 V CA -0.607 61.735 62.300 0.070 0.000 0.889 212 V CB 1.686 33.552 31.823 0.072 0.000 0.988 212 V HN 0.125 nan 8.190 nan 0.000 0.440 213 D N 3.492 123.895 120.400 0.005 0.000 2.120 213 D HA 0.097 4.739 4.640 0.003 0.000 0.202 213 D C 0.271 176.562 176.300 -0.015 0.000 0.972 213 D CA 1.151 55.136 54.000 -0.024 0.000 0.837 213 D CB 0.593 41.357 40.800 -0.061 0.000 0.989 213 D HN 0.721 nan 8.370 nan 0.000 0.469 214 E N -0.339 119.865 120.200 0.006 0.000 2.383 214 E HA 0.316 4.668 4.350 0.003 0.000 0.275 214 E C -1.041 175.575 176.600 0.027 0.000 0.918 214 E CA -0.574 55.838 56.400 0.020 0.000 0.764 214 E CB 2.670 32.401 29.700 0.052 0.000 1.252 214 E HN -0.159 nan 8.360 nan 0.000 0.449 215 Q N 1.519 121.331 119.800 0.020 0.000 2.322 215 Q HA 0.629 4.970 4.340 0.003 0.000 0.265 215 Q C -1.297 174.713 176.000 0.018 0.000 0.985 215 Q CA -0.588 55.227 55.803 0.019 0.000 0.849 215 Q CB 1.511 30.255 28.738 0.009 0.000 1.274 215 Q HN 0.628 nan 8.270 nan 0.000 0.449 216 A N 2.278 125.107 122.820 0.015 0.000 2.332 216 A HA 0.249 4.571 4.320 0.003 0.000 0.258 216 A C 1.040 178.628 177.584 0.007 0.000 1.087 216 A CA 0.244 52.281 52.037 0.001 0.000 0.802 216 A CB 0.479 19.468 19.000 -0.018 0.000 1.042 216 A HN 0.974 nan 8.150 nan 0.000 0.489 217 T N -1.760 112.794 114.554 -0.002 0.000 2.985 217 T HA 0.207 4.559 4.350 0.003 0.000 0.266 217 T C 0.219 174.925 174.700 0.011 0.000 1.076 217 T CA 1.219 63.323 62.100 0.006 0.000 1.135 217 T CB -0.575 68.292 68.868 -0.002 0.000 0.890 217 T HN 0.910 nan 8.240 nan 0.000 0.480 218 D N -1.233 119.166 120.400 -0.002 0.000 2.738 218 D HA 0.303 4.945 4.640 0.003 0.000 0.308 218 D C 0.514 176.802 176.300 -0.019 0.000 1.311 218 D CA -0.837 53.160 54.000 -0.004 0.000 0.799 218 D CB 0.437 41.234 40.800 -0.005 0.000 1.332 218 D HN -0.085 nan 8.370 nan 0.000 0.441 219 L N 0.497 121.709 121.223 -0.019 0.000 2.012 219 L HA -0.050 4.292 4.340 0.003 0.000 0.210 219 L C 1.226 178.069 176.870 -0.044 0.000 1.073 219 L CA 2.127 56.952 54.840 -0.026 0.000 0.748 219 L CB -0.961 41.090 42.059 -0.013 0.000 0.891 219 L HN 0.477 nan 8.230 nan 0.000 0.431 220 D N -0.441 119.935 120.400 -0.040 0.000 2.104 220 D HA -0.244 4.398 4.640 0.003 0.000 0.194 220 D C 1.828 178.083 176.300 -0.076 0.000 0.994 220 D CA 1.724 55.693 54.000 -0.052 0.000 0.830 220 D CB -0.236 40.541 40.800 -0.040 0.000 0.959 220 D HN 0.508 nan 8.370 nan 0.000 0.452 221 D N 0.342 120.701 120.400 -0.068 0.000 2.117 221 D HA -0.104 4.538 4.640 0.003 0.000 0.197 221 D C 1.959 178.190 176.300 -0.116 0.000 0.987 221 D CA 1.669 55.619 54.000 -0.082 0.000 0.829 221 D CB -0.111 40.657 40.800 -0.055 0.000 0.961 221 D HN 0.098 nan 8.370 nan 0.000 0.460 222 A N 0.133 122.892 122.820 -0.103 0.000 1.883 222 A HA -0.143 4.179 4.320 0.003 0.000 0.217 222 A C 2.452 179.901 177.584 -0.226 0.000 1.186 222 A CA 1.367 53.324 52.037 -0.133 0.000 0.624 222 A CB -0.907 18.039 19.000 -0.091 0.000 0.822 222 A HN 0.389 nan 8.150 nan 0.000 0.444 223 L N -0.745 120.353 121.223 -0.208 0.000 2.093 223 L HA -0.127 4.215 4.340 0.003 0.000 0.208 223 L C 2.516 179.216 176.870 -0.285 0.000 1.085 223 L CA 0.802 55.481 54.840 -0.269 0.000 0.755 223 L CB -0.502 41.457 42.059 -0.167 0.000 0.904 223 L HN 0.245 nan 8.230 nan 0.000 0.435 224 V N -0.004 119.773 119.914 -0.228 0.000 2.295 224 V HA -0.289 3.833 4.120 0.003 0.000 0.246 224 V C 2.633 178.517 176.094 -0.351 0.000 1.049 224 V CA 1.786 63.945 62.300 -0.234 0.000 1.024 224 V CB -0.588 31.131 31.823 -0.173 0.000 0.648 224 V HN 0.417 nan 8.190 nan 0.000 0.447 225 R N -0.532 119.722 120.500 -0.410 0.000 2.081 225 R HA -0.105 4.236 4.340 0.003 0.000 0.235 225 R C 2.280 178.094 176.300 -0.810 0.000 1.131 225 R CA 1.432 57.107 56.100 -0.708 0.000 0.960 225 R CB -0.379 29.638 30.300 -0.472 0.000 0.856 225 R HN 0.350 nan 8.270 nan 0.000 0.436 226 I N 0.902 121.148 120.570 -0.541 0.000 2.163 226 I HA -0.254 3.918 4.170 0.003 0.000 0.243 226 I C 2.555 178.379 176.117 -0.488 0.000 1.085 226 I CA 1.519 62.482 61.300 -0.561 0.000 1.347 226 I CB -1.280 36.163 38.000 -0.928 0.000 1.044 226 I HN 0.182 nan 8.210 nan 0.000 0.408 227 A N 0.543 123.105 122.820 -0.431 0.000 1.908 227 A HA -0.276 4.045 4.320 0.003 0.000 0.218 227 A C 2.442 179.888 177.584 -0.229 0.000 1.181 227 A CA 2.112 53.980 52.037 -0.282 0.000 0.627 227 A CB -0.587 18.282 19.000 -0.218 0.000 0.818 227 A HN 0.365 nan 8.150 nan 0.000 0.445 228 K N -1.500 118.713 120.400 -0.312 0.000 1.991 228 K HA -0.186 4.135 4.320 0.003 0.000 0.212 228 K C 1.896 178.429 176.600 -0.113 0.000 1.049 228 K CA 2.011 58.142 56.287 -0.259 0.000 0.932 228 K CB -0.400 31.853 32.500 -0.411 0.000 0.717 228 K HN 0.499 nan 8.250 nan 0.000 0.441 229 Y N 0.877 121.115 120.300 -0.104 0.000 2.242 229 Y HA -0.176 4.376 4.550 0.003 0.000 0.291 229 Y C 2.703 178.560 175.900 -0.072 0.000 1.137 229 Y CA 1.477 59.527 58.100 -0.084 0.000 1.181 229 Y CB -1.482 36.925 38.460 -0.087 0.000 0.989 229 Y HN 0.338 nan 8.280 nan 0.000 0.527 230 T N -2.121 112.456 114.554 0.037 0.000 2.777 230 T HA -0.126 4.225 4.350 0.003 0.000 0.266 230 T C 2.223 176.929 174.700 0.010 0.000 1.040 230 T CA 1.154 63.264 62.100 0.017 0.000 1.141 230 T CB -0.842 68.021 68.868 -0.007 0.000 0.868 230 T HN 0.256 nan 8.240 nan 0.000 0.444 231 A N 1.942 124.755 122.820 -0.012 0.000 1.972 231 A HA -0.087 4.235 4.320 0.003 0.000 0.219 231 A C 2.197 179.785 177.584 0.006 0.000 1.169 231 A CA 1.583 53.614 52.037 -0.010 0.000 0.635 231 A CB -0.655 18.328 19.000 -0.028 0.000 0.810 231 A HN 0.694 nan 8.150 nan 0.000 0.446 232 E N -1.669 118.546 120.200 0.026 0.000 2.481 232 E HA 0.242 4.594 4.350 0.003 0.000 0.195 232 E C 1.072 177.686 176.600 0.023 0.000 1.047 232 E CA 0.259 56.678 56.400 0.031 0.000 0.867 232 E CB -0.096 29.639 29.700 0.059 0.000 0.858 232 E HN 0.744 nan 8.360 nan 0.000 0.513 233 G N 2.082 110.897 108.800 0.025 0.000 2.147 233 G HA2 -0.310 3.651 3.960 0.003 0.000 0.244 233 G HA3 -0.310 3.651 3.960 0.003 0.000 0.244 233 G C -0.003 174.904 174.900 0.012 0.000 1.005 233 G CA 0.299 45.408 45.100 0.015 0.000 0.713 233 G HN 0.143 nan 8.290 nan 0.000 0.515 234 K N -0.143 120.269 120.400 0.020 0.000 2.087 234 K HA 0.720 5.042 4.320 0.003 0.000 0.255 234 K C 0.316 176.912 176.600 -0.006 0.000 0.988 234 K CA 0.059 56.338 56.287 -0.014 0.000 0.915 234 K CB 1.466 33.931 32.500 -0.059 0.000 1.043 234 K HN 0.555 nan 8.250 nan 0.000 0.457 235 A N 3.021 125.822 122.820 -0.033 0.000 2.399 235 A HA 0.494 4.815 4.320 0.003 0.000 0.327 235 A C -0.754 176.799 177.584 -0.053 0.000 1.367 235 A CA -0.558 51.471 52.037 -0.014 0.000 0.842 235 A CB -0.211 18.793 19.000 0.007 0.000 1.142 235 A HN 0.626 nan 8.150 nan 0.000 0.495 236 I N 2.136 122.675 120.570 -0.051 0.000 2.533 236 I HA 0.310 4.482 4.170 0.003 0.000 0.290 236 I C 0.293 176.409 176.117 -0.002 0.000 1.056 236 I CA -0.506 60.734 61.300 -0.099 0.000 1.057 236 I CB 2.653 40.451 38.000 -0.337 0.000 1.240 236 I HN 0.619 nan 8.210 nan 0.000 0.423 237 S N 6.643 122.342 115.700 -0.001 0.000 2.525 237 S HA 0.752 5.223 4.470 0.003 0.000 0.278 237 S C -0.619 174.007 174.600 0.044 0.000 1.234 237 S CA -0.595 57.626 58.200 0.034 0.000 1.058 237 S CB 1.113 64.337 63.200 0.040 0.000 0.983 237 S HN 0.436 nan 8.310 nan 0.000 0.495 238 I N 2.190 122.794 120.570 0.056 0.000 2.465 238 I HA 0.580 4.752 4.170 0.003 0.000 0.291 238 I C 0.157 176.299 176.117 0.042 0.000 1.014 238 I CA -0.847 60.484 61.300 0.051 0.000 1.093 238 I CB 1.887 39.911 38.000 0.040 0.000 1.267 238 I HN 0.867 nan 8.210 nan 0.000 0.431 239 A N 6.503 129.346 122.820 0.039 0.000 2.306 239 A HA 0.811 5.133 4.320 0.003 0.000 0.314 239 A C -1.099 176.506 177.584 0.036 0.000 1.164 239 A CA -0.405 51.655 52.037 0.039 0.000 0.822 239 A CB 1.121 20.144 19.000 0.038 0.000 1.130 239 A HN 0.593 nan 8.150 nan 0.000 0.496 240 L N 2.353 123.601 121.223 0.042 0.000 2.406 240 L HA 0.313 4.654 4.340 0.003 0.000 0.272 240 L C -0.197 176.720 176.870 0.078 0.000 0.980 240 L CA -0.213 54.654 54.840 0.046 0.000 0.831 240 L CB 1.387 43.458 42.059 0.020 0.000 1.253 240 L HN 0.834 nan 8.230 nan 0.000 0.406 241 H N 4.869 123.929 119.070 -0.017 0.000 2.955 241 H HA 0.551 5.109 4.556 0.003 0.000 0.290 241 H C -0.124 175.193 175.328 -0.018 0.000 1.047 241 H CA 0.778 56.813 56.048 -0.023 0.000 1.484 241 H CB 0.443 30.195 29.762 -0.018 0.000 1.501 241 H HN 0.909 nan 8.280 nan 0.000 0.521 242 G N 3.998 112.646 108.800 -0.254 0.000 2.335 242 G HA2 -0.080 3.882 3.960 0.003 0.000 0.291 242 G HA3 -0.080 3.882 3.960 0.003 0.000 0.291 242 G C -1.642 173.150 174.900 -0.181 0.000 1.261 242 G CA -0.848 44.105 45.100 -0.245 0.000 0.871 242 G HN 0.580 nan 8.290 nan 0.000 0.491 243 N N 0.325 118.937 118.700 -0.146 0.000 2.407 243 N HA 0.536 5.278 4.740 0.003 0.000 0.277 243 N C 1.136 176.542 175.510 -0.174 0.000 0.995 243 N CA 0.250 53.205 53.050 -0.158 0.000 0.903 243 N CB 1.905 40.309 38.487 -0.138 0.000 1.218 243 N HN 0.810 nan 8.380 nan 0.000 0.487 244 A N 3.515 126.201 122.820 -0.223 0.000 1.948 244 A HA -0.118 4.204 4.320 0.003 0.000 0.220 244 A C 1.853 179.149 177.584 -0.480 0.000 1.177 244 A CA 2.094 53.940 52.037 -0.318 0.000 0.636 244 A CB -0.558 18.251 19.000 -0.319 0.000 0.815 244 A HN 0.726 nan 8.150 nan 0.000 0.449 245 A N -0.811 121.781 122.820 -0.381 0.000 2.168 245 A HA 0.003 4.325 4.320 0.003 0.000 0.215 245 A C 1.803 179.319 177.584 -0.115 0.000 1.152 245 A CA 1.326 53.237 52.037 -0.211 0.000 0.716 245 A CB -0.261 18.754 19.000 0.024 0.000 0.794 245 A HN 0.665 nan 8.150 nan 0.000 0.465 246 E N -0.673 119.457 120.200 -0.116 0.000 2.127 246 E HA 0.092 4.444 4.350 0.003 0.000 0.191 246 E C 1.608 178.174 176.600 -0.057 0.000 0.964 246 E CA 0.517 56.876 56.400 -0.068 0.000 0.832 246 E CB -0.054 29.612 29.700 -0.057 0.000 0.790 246 E HN 0.625 nan 8.360 nan 0.000 0.465 247 I N 0.706 121.234 120.570 -0.071 0.000 2.277 247 I HA -0.202 3.969 4.170 0.003 0.000 0.243 247 I C 1.993 178.122 176.117 0.019 0.000 1.094 247 I CA 0.564 61.849 61.300 -0.025 0.000 1.393 247 I CB 0.030 38.015 38.000 -0.025 0.000 1.078 247 I HN 0.054 nan 8.210 nan 0.000 0.417 248 L N 0.911 122.136 121.223 0.004 0.000 2.012 248 L HA -0.145 4.197 4.340 0.003 0.000 0.210 248 L C -0.383 176.520 176.870 0.056 0.000 1.073 248 L CA 2.444 57.359 54.840 0.126 0.000 0.748 248 L CB -1.899 40.253 42.059 0.156 0.000 0.891 248 L HN 0.143 nan 8.230 nan 0.000 0.431 249 P HA -0.177 nan 4.420 nan 0.000 0.218 249 P C 1.429 178.704 177.300 -0.042 0.000 1.149 249 P CA 1.022 64.087 63.100 -0.058 0.000 0.817 249 P CB 0.164 31.840 31.700 -0.039 0.000 0.785 250 E N -0.070 120.125 120.200 -0.008 0.000 2.072 250 E HA -0.133 4.219 4.350 0.003 0.000 0.191 250 E C 1.861 178.481 176.600 0.033 0.000 0.985 250 E CA 1.097 57.500 56.400 0.006 0.000 0.801 250 E CB -1.175 28.531 29.700 0.009 0.000 0.750 250 E HN 0.118 nan 8.360 nan 0.000 0.452 251 L N -0.463 120.813 121.223 0.088 0.000 2.046 251 L HA -0.156 4.186 4.340 0.003 0.000 0.208 251 L C 2.432 179.375 176.870 0.122 0.000 1.077 251 L CA 0.884 55.830 54.840 0.177 0.000 0.747 251 L CB -0.493 41.777 42.059 0.351 0.000 0.896 251 L HN 0.090 nan 8.230 nan 0.000 0.432 252 V N 0.316 120.190 119.914 -0.066 0.000 2.287 252 V HA -0.359 3.763 4.120 0.003 0.000 0.248 252 V C 2.602 178.635 176.094 -0.101 0.000 1.053 252 V CA 2.207 64.353 62.300 -0.255 0.000 1.027 252 V CB -0.589 30.962 31.823 -0.453 0.000 0.646 252 V HN 0.475 nan 8.190 nan 0.000 0.447 253 K N 0.100 120.461 120.400 -0.065 0.000 2.063 253 K HA -0.192 4.130 4.320 0.003 0.000 0.208 253 K C 2.244 178.839 176.600 -0.008 0.000 1.048 253 K CA 1.599 57.865 56.287 -0.034 0.000 0.928 253 K CB -0.150 32.335 32.500 -0.025 0.000 0.713 253 K HN 0.346 nan 8.250 nan 0.000 0.442 254 R N -0.798 119.710 120.500 0.014 0.000 2.307 254 R HA 0.006 4.348 4.340 0.003 0.000 0.199 254 R C 0.928 177.253 176.300 0.042 0.000 1.000 254 R CA 0.622 56.739 56.100 0.029 0.000 1.023 254 R CB 0.071 30.396 30.300 0.042 0.000 0.908 254 R HN 0.552 nan 8.270 nan 0.000 0.473 255 G N 0.974 109.801 108.800 0.045 0.000 2.160 255 G HA2 -0.252 3.710 3.960 0.003 0.000 0.251 255 G HA3 -0.252 3.710 3.960 0.003 0.000 0.251 255 G C 0.147 175.118 174.900 0.117 0.000 1.008 255 G CA 0.096 45.233 45.100 0.062 0.000 0.724 255 G HN 0.152 nan 8.290 nan 0.000 0.514 256 V N 0.491 120.507 119.914 0.170 0.000 2.572 256 V HA 0.385 4.507 4.120 0.003 0.000 0.291 256 V C 1.048 177.325 176.094 0.306 0.000 1.039 256 V CA 0.243 62.688 62.300 0.242 0.000 1.055 256 V CB 1.396 33.382 31.823 0.271 0.000 0.969 256 V HN 0.441 nan 8.190 nan 0.000 0.482 257 R N 6.538 127.179 120.500 0.234 0.000 2.352 257 R HA 0.411 4.753 4.340 0.003 0.000 0.304 257 R C -2.600 173.628 176.300 -0.120 0.000 1.104 257 R CA -1.581 54.579 56.100 0.101 0.000 0.991 257 R CB 1.534 31.888 30.300 0.091 0.000 1.140 257 R HN 0.512 nan 8.270 nan 0.000 0.540 258 P HA 0.137 nan 4.420 nan 0.000 0.275 258 P C -0.456 176.342 177.300 -0.837 0.000 1.266 258 P CA -0.250 61.994 63.100 -1.427 0.000 0.793 258 P CB 0.968 31.621 31.700 -1.745 0.000 1.074 259 D N -1.022 118.860 120.400 -0.864 0.000 2.366 259 D HA 0.151 4.792 4.640 0.003 0.000 0.205 259 D C 0.520 176.689 176.300 -0.218 0.000 1.022 259 D CA 1.161 54.916 54.000 -0.409 0.000 0.868 259 D CB 0.412 40.946 40.800 -0.444 0.000 0.953 259 D HN 0.318 nan 8.370 nan 0.000 0.514 260 M N 0.566 119.933 119.600 -0.388 0.000 2.421 260 M HA 0.322 4.803 4.480 0.003 0.000 0.287 260 M C -1.501 174.522 176.300 -0.462 0.000 1.183 260 M CA -0.675 54.466 55.300 -0.265 0.000 0.916 260 M CB 3.809 36.361 32.600 -0.080 0.000 1.701 260 M HN -0.424 nan 8.290 nan 0.000 0.470 261 V N 0.831 120.461 119.914 -0.473 0.000 2.525 261 V HA 0.769 4.891 4.120 0.003 0.000 0.299 261 V C -0.361 175.342 176.094 -0.651 0.000 1.034 261 V CA -0.324 61.647 62.300 -0.549 0.000 0.863 261 V CB 1.926 33.405 31.823 -0.573 0.000 0.999 261 V HN 1.004 nan 8.190 nan 0.000 0.423 262 T N 2.676 116.920 114.554 -0.516 0.000 2.618 262 T HA 0.660 5.011 4.350 0.003 0.000 0.286 262 T C -2.192 172.428 174.700 -0.133 0.000 1.027 262 T CA -0.333 61.487 62.100 -0.465 0.000 1.063 262 T CB 2.094 70.556 68.868 -0.676 0.000 1.440 262 T HN 0.825 nan 8.240 nan 0.000 0.505 263 D N -0.197 120.203 120.400 -0.000 0.000 2.878 263 D HA 0.353 4.995 4.640 0.003 0.000 0.211 263 D C -1.157 175.207 176.300 0.106 0.000 1.271 263 D CA -0.226 53.820 54.000 0.077 0.000 0.845 263 D CB 1.518 42.362 40.800 0.073 0.000 1.679 263 D HN 0.402 nan 8.370 nan 0.000 0.536 264 Q N 1.941 121.788 119.800 0.079 0.000 2.144 264 Q HA 0.220 4.562 4.340 0.003 0.000 0.305 264 Q C -0.279 175.789 176.000 0.114 0.000 0.876 264 Q CA -0.415 55.426 55.803 0.063 0.000 1.130 264 Q CB 1.137 29.830 28.738 -0.074 0.000 1.267 264 Q HN 0.657 nan 8.270 nan 0.000 0.433 265 T N -2.357 112.301 114.554 0.174 0.000 2.860 265 T HA 0.174 4.526 4.350 0.003 0.000 0.299 265 T C 0.785 175.657 174.700 0.285 0.000 1.045 265 T CA -0.368 61.857 62.100 0.209 0.000 1.071 265 T CB 1.387 70.404 68.868 0.247 0.000 0.985 265 T HN -0.072 nan 8.240 nan 0.000 0.537 266 S N 1.433 117.310 115.700 0.295 0.000 3.983 266 S HA 0.380 4.852 4.470 0.003 0.000 0.194 266 S C 1.663 176.389 174.600 0.209 0.000 1.464 266 S CA -0.316 58.076 58.200 0.319 0.000 1.021 266 S CB -0.993 62.356 63.200 0.248 0.000 1.424 266 S HN 0.849 nan 8.310 nan 0.000 0.473 267 A N 1.106 124.107 122.820 0.300 0.000 2.172 267 A HA -0.119 4.202 4.320 0.003 0.000 0.216 267 A C 1.594 179.203 177.584 0.041 0.000 1.154 267 A CA 1.377 53.493 52.037 0.132 0.000 0.701 267 A CB -0.725 18.301 19.000 0.044 0.000 0.789 267 A HN 0.912 nan 8.150 nan 0.000 0.465 268 H N -2.406 116.711 119.070 0.078 0.000 2.491 268 H HA 0.106 4.664 4.556 0.003 0.000 0.290 268 H C 0.246 175.603 175.328 0.048 0.000 1.050 268 H CA 1.044 57.121 56.048 0.048 0.000 1.309 268 H CB -0.011 29.783 29.762 0.053 0.000 1.392 268 H HN 0.294 nan 8.280 nan 0.000 0.554 269 D N 0.913 121.000 120.400 -0.522 0.000 2.456 269 D HA 0.131 4.773 4.640 0.003 0.000 0.287 269 D C -1.725 174.518 176.300 -0.096 0.000 1.186 269 D CA -2.840 50.966 54.000 -0.323 0.000 0.916 269 D CB 0.959 41.475 40.800 -0.474 0.000 1.029 269 D HN 0.102 nan 8.370 nan 0.000 0.498 270 P HA -0.156 nan 4.420 nan 0.000 0.218 270 P C 1.626 178.993 177.300 0.111 0.000 1.148 270 P CA 0.271 63.386 63.100 0.024 0.000 0.822 270 P CB 0.609 32.288 31.700 -0.035 0.000 0.784 271 L N -0.349 120.903 121.223 0.048 0.000 2.141 271 L HA -0.004 4.338 4.340 0.003 0.000 0.209 271 L C 1.592 178.419 176.870 -0.071 0.000 1.094 271 L CA 1.930 56.780 54.840 0.017 0.000 0.763 271 L CB -0.764 41.277 42.059 -0.029 0.000 0.908 271 L HN -0.091 nan 8.230 nan 0.000 0.437 272 N N -1.912 116.783 118.700 -0.009 0.000 2.297 272 N HA 0.171 4.913 4.740 0.003 0.000 0.208 272 N C 1.336 176.947 175.510 0.169 0.000 1.176 272 N CA 0.858 53.863 53.050 -0.075 0.000 0.882 272 N CB 0.566 39.021 38.487 -0.054 0.000 1.134 272 N HN 0.341 nan 8.380 nan 0.000 0.489 273 G N -0.818 108.125 108.800 0.239 0.000 3.377 273 G HA2 0.127 4.089 3.960 0.003 0.000 0.257 273 G HA3 0.127 4.089 3.960 0.003 0.000 0.257 273 G C -0.717 174.405 174.900 0.369 0.000 1.038 273 G CA 0.096 45.374 45.100 0.297 0.000 0.809 273 G HN 0.188 nan 8.290 nan 0.000 0.526 274 Y N 0.502 120.913 120.300 0.185 0.000 2.301 274 Y HA 0.490 5.042 4.550 0.003 0.000 0.325 274 Y C -1.041 174.594 175.900 -0.442 0.000 1.103 274 Y CA -1.253 56.841 58.100 -0.011 0.000 1.182 274 Y CB 1.520 39.968 38.460 -0.020 0.000 1.139 274 Y HN -0.050 nan 8.280 nan 0.000 0.443 275 L N 9.220 130.070 121.223 -0.623 0.000 2.418 275 L HA 0.469 4.811 4.340 0.003 0.000 0.274 275 L C -2.482 174.050 176.870 -0.563 0.000 1.135 275 L CA -1.559 52.792 54.840 -0.816 0.000 0.870 275 L CB 0.262 42.179 42.059 -0.237 0.000 1.154 275 L HN 0.403 nan 8.230 nan 0.000 0.462 276 P HA 0.079 nan 4.420 nan 0.000 0.269 276 P C -0.304 176.759 177.300 -0.396 0.000 1.209 276 P CA -0.072 62.654 63.100 -0.624 0.000 0.776 276 P CB 0.383 31.214 31.700 -1.448 0.000 0.876 277 I N 1.811 122.247 120.570 -0.224 0.000 2.826 277 I HA -0.048 4.124 4.170 0.003 0.000 0.295 277 I C 1.722 177.853 176.117 0.024 0.000 1.213 277 I CA 1.644 62.894 61.300 -0.083 0.000 1.436 277 I CB -0.743 37.233 38.000 -0.040 0.000 1.348 277 I HN 0.758 nan 8.210 nan 0.000 0.570 278 G N 4.260 113.122 108.800 0.104 0.000 2.199 278 G HA2 -0.239 3.722 3.960 0.003 0.000 0.254 278 G HA3 -0.239 3.722 3.960 0.003 0.000 0.254 278 G C -0.321 174.788 174.900 0.348 0.000 0.982 278 G CA -0.508 44.718 45.100 0.209 0.000 0.632 278 G HN 0.506 nan 8.290 nan 0.000 0.529 279 W N 1.876 123.161 121.300 -0.025 0.000 2.438 279 W HA 0.683 5.344 4.660 0.003 0.000 0.324 279 W C 1.062 177.590 176.519 0.014 0.000 1.119 279 W CA -0.285 57.053 57.345 -0.010 0.000 1.221 279 W CB 0.782 30.221 29.460 -0.035 0.000 1.253 279 W HN 0.405 nan 8.180 nan 0.000 0.555 280 T N -1.104 113.590 114.554 0.234 0.000 2.824 280 T HA 0.082 4.433 4.350 0.003 0.000 0.277 280 T C 0.713 175.604 174.700 0.320 0.000 0.975 280 T CA -0.414 61.823 62.100 0.228 0.000 0.966 280 T CB 1.214 70.176 68.868 0.157 0.000 1.054 280 T HN 0.596 nan 8.240 nan 0.000 0.533 281 W N 0.751 122.153 121.300 0.170 0.000 2.441 281 W HA -0.008 4.653 4.660 0.003 0.000 0.302 281 W C 1.322 177.979 176.519 0.230 0.000 1.191 281 W CA 1.451 58.934 57.345 0.231 0.000 1.327 281 W CB -0.318 29.252 29.460 0.184 0.000 1.128 281 W HN 1.052 nan 8.180 nan 0.000 0.522 282 E N -1.447 118.888 120.200 0.226 0.000 3.171 282 E HA -0.443 3.909 4.350 0.003 0.000 0.412 282 E C 1.474 178.107 176.600 0.056 0.000 1.516 282 E CA 2.786 59.281 56.400 0.158 0.000 1.196 282 E CB -1.567 28.247 29.700 0.191 0.000 1.522 282 E HN 0.213 nan 8.360 nan 0.000 0.487 283 Q N -1.227 118.601 119.800 0.046 0.000 2.084 283 Q HA -0.170 4.171 4.340 0.003 0.000 0.202 283 Q C 2.027 178.031 176.000 0.008 0.000 0.978 283 Q CA 1.659 57.422 55.803 -0.068 0.000 0.844 283 Q CB -0.272 28.339 28.738 -0.212 0.000 0.898 283 Q HN 0.479 nan 8.270 nan 0.000 0.426 284 Y N 1.392 121.702 120.300 0.017 0.000 2.128 284 Y HA -0.234 4.318 4.550 0.003 0.000 0.284 284 Y C 2.041 177.874 175.900 -0.111 0.000 1.154 284 Y CA 1.519 59.663 58.100 0.074 0.000 1.149 284 Y CB 0.040 38.382 38.460 -0.197 0.000 0.976 284 Y HN -0.061 nan 8.280 nan 0.000 0.505 285 R N 0.155 120.473 120.500 -0.303 0.000 2.073 285 R HA -0.111 4.231 4.340 0.003 0.000 0.229 285 R C 1.950 178.143 176.300 -0.178 0.000 1.120 285 R CA 1.438 57.331 56.100 -0.345 0.000 0.967 285 R CB -1.061 29.101 30.300 -0.230 0.000 0.862 285 R HN 0.417 nan 8.270 nan 0.000 0.436 286 D N 0.585 120.923 120.400 -0.104 0.000 2.097 286 D HA -0.116 4.525 4.640 0.003 0.000 0.195 286 D C 1.872 178.128 176.300 -0.073 0.000 0.989 286 D CA 1.272 55.227 54.000 -0.076 0.000 0.827 286 D CB 0.132 40.892 40.800 -0.066 0.000 0.966 286 D HN 0.070 nan 8.370 nan 0.000 0.456 287 R N -0.171 120.290 120.500 -0.065 0.000 2.148 287 R HA 0.123 4.465 4.340 0.003 0.000 0.223 287 R C 2.277 178.586 176.300 0.015 0.000 1.088 287 R CA 0.873 56.960 56.100 -0.022 0.000 0.985 287 R CB -0.177 30.106 30.300 -0.028 0.000 0.880 287 R HN 0.121 nan 8.270 nan 0.000 0.451 288 A N 0.951 123.743 122.820 -0.046 0.000 1.978 288 A HA -0.193 4.129 4.320 0.003 0.000 0.220 288 A C 1.846 179.388 177.584 -0.069 0.000 1.170 288 A CA 1.235 53.213 52.037 -0.098 0.000 0.636 288 A CB -0.145 18.684 19.000 -0.284 0.000 0.810 288 A HN 0.174 nan 8.150 nan 0.000 0.448 289 Q N -0.671 119.089 119.800 -0.066 0.000 2.123 289 Q HA -0.071 4.270 4.340 0.003 0.000 0.196 289 Q C 2.355 178.340 176.000 -0.026 0.000 0.958 289 Q CA 2.137 57.913 55.803 -0.046 0.000 0.841 289 Q CB -1.031 27.679 28.738 -0.048 0.000 0.915 289 Q HN 0.850 nan 8.270 nan 0.000 0.455 290 T N -1.191 113.350 114.554 -0.022 0.000 2.939 290 T HA 0.100 4.452 4.350 0.003 0.000 0.254 290 T C 1.431 176.132 174.700 0.002 0.000 1.041 290 T CA 0.471 62.563 62.100 -0.013 0.000 1.142 290 T CB -0.132 68.723 68.868 -0.020 0.000 0.874 290 T HN 0.317 nan 8.240 nan 0.000 0.452 291 I N -0.927 119.652 120.570 0.016 0.000 2.956 291 I HA 0.450 4.622 4.170 0.003 0.000 0.311 291 I C -2.301 173.852 176.117 0.061 0.000 1.436 291 I CA -2.672 58.652 61.300 0.039 0.000 0.872 291 I CB 1.408 39.439 38.000 0.051 0.000 2.099 291 I HN -0.169 nan 8.210 nan 0.000 0.624 292 P HA -0.220 nan 4.420 nan 0.000 0.216 292 P C 1.704 179.032 177.300 0.046 0.000 1.150 292 P CA 2.035 65.155 63.100 0.033 0.000 0.837 292 P CB 0.392 32.097 31.700 0.009 0.000 0.786 293 A N 0.778 123.623 122.820 0.041 0.000 1.883 293 A HA -0.118 4.204 4.320 0.003 0.000 0.217 293 A C 2.535 180.152 177.584 0.055 0.000 1.186 293 A CA 2.492 54.553 52.037 0.040 0.000 0.624 293 A CB -1.592 17.427 19.000 0.033 0.000 0.822 293 A HN 0.242 nan 8.150 nan 0.000 0.444 294 A N -0.719 122.151 122.820 0.083 0.000 1.933 294 A HA 0.027 4.348 4.320 0.003 0.000 0.218 294 A C 2.241 179.914 177.584 0.148 0.000 1.175 294 A CA 1.756 53.866 52.037 0.121 0.000 0.628 294 A CB -0.893 18.201 19.000 0.156 0.000 0.814 294 A HN 0.387 nan 8.150 nan 0.000 0.444 295 V N -0.421 119.601 119.914 0.181 0.000 2.295 295 V HA -0.233 3.889 4.120 0.003 0.000 0.246 295 V C 2.577 178.688 176.094 0.029 0.000 1.049 295 V CA 1.999 64.401 62.300 0.170 0.000 1.024 295 V CB -0.825 31.144 31.823 0.245 0.000 0.648 295 V HN 0.366 nan 8.190 nan 0.000 0.447 296 V N -0.220 119.717 119.914 0.038 0.000 2.332 296 V HA -0.313 3.809 4.120 0.003 0.000 0.248 296 V C 2.450 178.523 176.094 -0.034 0.000 1.055 296 V CA 2.164 64.466 62.300 0.003 0.000 1.038 296 V CB -0.728 31.100 31.823 0.008 0.000 0.651 296 V HN 0.547 nan 8.190 nan 0.000 0.450 297 K N -0.005 120.384 120.400 -0.018 0.000 2.057 297 K HA -0.100 4.222 4.320 0.003 0.000 0.206 297 K C 2.313 178.869 176.600 -0.073 0.000 1.050 297 K CA 1.402 57.671 56.287 -0.030 0.000 0.935 297 K CB -0.396 32.106 32.500 0.003 0.000 0.715 297 K HN 0.482 nan 8.250 nan 0.000 0.439 298 A N 1.537 124.288 122.820 -0.116 0.000 1.902 298 A HA -0.112 4.210 4.320 0.003 0.000 0.217 298 A C 2.365 179.769 177.584 -0.301 0.000 1.181 298 A CA 1.832 53.718 52.037 -0.251 0.000 0.623 298 A CB -0.640 18.058 19.000 -0.503 0.000 0.818 298 A HN 0.330 nan 8.150 nan 0.000 0.443 299 A N -0.229 122.431 122.820 -0.267 0.000 1.873 299 A HA -0.141 4.181 4.320 0.003 0.000 0.215 299 A C 2.124 179.569 177.584 -0.231 0.000 1.186 299 A CA 1.764 53.692 52.037 -0.182 0.000 0.616 299 A CB -0.434 18.518 19.000 -0.081 0.000 0.823 299 A HN 0.518 nan 8.150 nan 0.000 0.442 300 K N -0.334 119.954 120.400 -0.187 0.000 2.057 300 K HA -0.086 4.236 4.320 0.003 0.000 0.207 300 K C 2.317 178.831 176.600 -0.143 0.000 1.049 300 K CA 1.105 57.285 56.287 -0.178 0.000 0.931 300 K CB -0.339 32.096 32.500 -0.109 0.000 0.714 300 K HN 0.444 nan 8.250 nan 0.000 0.440 301 A N 1.097 123.852 122.820 -0.108 0.000 1.908 301 A HA -0.182 4.140 4.320 0.003 0.000 0.218 301 A C 2.218 179.765 177.584 -0.062 0.000 1.181 301 A CA 2.009 54.003 52.037 -0.072 0.000 0.627 301 A CB -0.559 18.405 19.000 -0.060 0.000 0.818 301 A HN 0.194 nan 8.150 nan 0.000 0.445 302 S N -0.392 115.264 115.700 -0.072 0.000 2.382 302 S HA -0.143 4.328 4.470 0.003 0.000 0.228 302 S C 1.970 176.604 174.600 0.057 0.000 1.027 302 S CA 1.758 59.967 58.200 0.016 0.000 0.991 302 S CB -0.409 62.845 63.200 0.090 0.000 0.823 302 S HN 0.588 nan 8.310 nan 0.000 0.469 303 M N 1.175 120.683 119.600 -0.154 0.000 2.159 303 M HA -0.080 4.402 4.480 0.003 0.000 0.263 303 M C 2.471 178.741 176.300 -0.051 0.000 1.063 303 M CA 1.319 56.495 55.300 -0.208 0.000 1.110 303 M CB -0.569 31.753 32.600 -0.463 0.000 1.374 303 M HN 0.392 nan 8.290 nan 0.000 0.411 304 A N 0.045 122.833 122.820 -0.052 0.000 1.877 304 A HA -0.110 4.211 4.320 0.003 0.000 0.216 304 A C 2.258 179.859 177.584 0.027 0.000 1.186 304 A CA 1.718 53.743 52.037 -0.019 0.000 0.620 304 A CB -1.013 17.972 19.000 -0.026 0.000 0.822 304 A HN 0.286 nan 8.150 nan 0.000 0.443 305 V N -0.468 119.471 119.914 0.042 0.000 2.343 305 V HA -0.314 3.808 4.120 0.003 0.000 0.247 305 V C 2.422 178.587 176.094 0.119 0.000 1.051 305 V CA 2.391 64.725 62.300 0.057 0.000 1.036 305 V CB -1.066 30.781 31.823 0.039 0.000 0.654 305 V HN 0.842 nan 8.190 nan 0.000 0.451 306 H N -0.579 118.517 119.070 0.044 0.000 2.321 306 H HA -0.151 4.407 4.556 0.003 0.000 0.300 306 H C 2.264 177.635 175.328 0.071 0.000 1.087 306 H CA 1.768 57.863 56.048 0.079 0.000 1.319 306 H CB 0.189 30.045 29.762 0.157 0.000 1.379 306 H HN 0.234 nan 8.280 nan 0.000 0.501 307 V N 1.017 121.027 119.914 0.160 0.000 2.427 307 V HA -0.246 3.876 4.120 0.003 0.000 0.248 307 V C 2.342 178.516 176.094 0.133 0.000 1.051 307 V CA 1.789 64.165 62.300 0.126 0.000 1.048 307 V CB -0.492 31.369 31.823 0.063 0.000 0.666 307 V HN 0.523 nan 8.190 nan 0.000 0.456 308 Q N -0.209 119.640 119.800 0.082 0.000 2.096 308 Q HA -0.239 4.103 4.340 0.003 0.000 0.204 308 Q C 2.442 178.443 176.000 0.002 0.000 0.982 308 Q CA 1.939 57.767 55.803 0.041 0.000 0.850 308 Q CB -0.396 28.352 28.738 0.017 0.000 0.901 308 Q HN 0.691 nan 8.270 nan 0.000 0.422 309 A N 0.641 123.462 122.820 0.003 0.000 1.902 309 A HA -0.189 4.133 4.320 0.003 0.000 0.217 309 A C 2.044 179.560 177.584 -0.113 0.000 1.181 309 A CA 1.410 53.380 52.037 -0.111 0.000 0.623 309 A CB -0.478 18.499 19.000 -0.038 0.000 0.818 309 A HN 0.296 nan 8.150 nan 0.000 0.443 310 M N -0.674 118.966 119.600 0.066 0.000 2.117 310 M HA -0.101 4.381 4.480 0.003 0.000 0.262 310 M C 2.080 178.336 176.300 -0.073 0.000 1.065 310 M CA 1.340 56.642 55.300 0.002 0.000 1.114 310 M CB -0.512 31.918 32.600 -0.283 0.000 1.361 310 M HN 0.358 nan 8.290 nan 0.000 0.408 311 L N -0.130 121.114 121.223 0.034 0.000 2.083 311 L HA -0.241 4.100 4.340 0.003 0.000 0.209 311 L C 1.968 178.848 176.870 0.017 0.000 1.083 311 L CA 0.937 55.837 54.840 0.101 0.000 0.752 311 L CB -0.751 41.393 42.059 0.142 0.000 0.899 311 L HN 0.277 nan 8.230 nan 0.000 0.433 312 D N -0.335 120.016 120.400 -0.081 0.000 2.144 312 D HA -0.163 4.479 4.640 0.003 0.000 0.199 312 D C 2.093 178.303 176.300 -0.149 0.000 0.984 312 D CA 1.278 55.184 54.000 -0.157 0.000 0.834 312 D CB -0.130 40.503 40.800 -0.279 0.000 0.955 312 D HN 0.159 nan 8.370 nan 0.000 0.465 313 F N 1.204 121.116 119.950 -0.063 0.000 2.102 313 F HA -0.106 4.423 4.527 0.003 0.000 0.298 313 F C 2.629 178.380 175.800 -0.081 0.000 1.105 313 F CA 0.877 58.822 58.000 -0.091 0.000 1.239 313 F CB -0.726 38.184 39.000 -0.149 0.000 0.991 313 F HN -0.026 nan 8.300 nan 0.000 0.474 314 Q N 0.489 120.355 119.800 0.110 0.000 2.124 314 Q HA -0.214 4.128 4.340 0.003 0.000 0.202 314 Q C 2.037 178.077 176.000 0.066 0.000 0.977 314 Q CA 1.454 57.298 55.803 0.068 0.000 0.850 314 Q CB -0.061 28.726 28.738 0.081 0.000 0.901 314 Q HN 0.378 nan 8.270 nan 0.000 0.429 315 K N -0.047 120.385 120.400 0.054 0.000 2.209 315 K HA -0.143 4.178 4.320 0.003 0.000 0.204 315 K C 1.669 178.291 176.600 0.038 0.000 1.048 315 K CA 1.015 57.326 56.287 0.040 0.000 0.940 315 K CB 0.075 32.588 32.500 0.021 0.000 0.729 315 K HN 0.321 nan 8.250 nan 0.000 0.451 316 Q N -0.453 119.375 119.800 0.047 0.000 2.415 316 Q HA 0.040 4.382 4.340 0.003 0.000 0.206 316 Q C 0.599 176.631 176.000 0.053 0.000 0.946 316 Q CA 0.388 56.223 55.803 0.052 0.000 0.951 316 Q CB 0.643 29.426 28.738 0.074 0.000 1.026 316 Q HN 0.515 nan 8.270 nan 0.000 0.510 317 G N 0.441 109.271 108.800 0.049 0.000 2.143 317 G HA2 -0.248 3.713 3.960 0.003 0.000 0.249 317 G HA3 -0.248 3.713 3.960 0.003 0.000 0.249 317 G C 0.154 175.062 174.900 0.013 0.000 0.981 317 G CA 0.003 45.127 45.100 0.039 0.000 0.665 317 G HN 0.238 nan 8.290 nan 0.000 0.528 318 V N 1.821 121.741 119.914 0.010 0.000 2.470 318 V HA 0.320 4.441 4.120 0.003 0.000 0.276 318 V C -1.417 174.619 176.094 -0.096 0.000 1.040 318 V CA -1.222 61.046 62.300 -0.052 0.000 1.008 318 V CB 1.134 32.907 31.823 -0.082 0.000 0.990 318 V HN 0.118 nan 8.190 nan 0.000 0.477 319 P HA 0.094 nan 4.420 nan 0.000 0.258 319 P C -0.342 176.954 177.300 -0.006 0.000 1.187 319 P CA 0.647 63.609 63.100 -0.230 0.000 0.767 319 P CB 0.115 31.444 31.700 -0.617 0.000 0.770 320 T N 4.787 119.396 114.554 0.091 0.000 2.881 320 T HA 0.730 5.081 4.350 0.003 0.000 0.290 320 T C -0.618 174.191 174.700 0.182 0.000 1.000 320 T CA -0.338 61.708 62.100 -0.091 0.000 0.978 320 T CB 0.547 69.233 68.868 -0.303 0.000 0.997 320 T HN 0.218 nan 8.240 nan 0.000 0.443 321 F N -0.016 119.960 119.950 0.044 0.000 2.641 321 F HA 0.600 5.129 4.527 0.003 0.000 0.308 321 F C -0.795 175.227 175.800 0.370 0.000 1.105 321 F CA -1.295 56.900 58.000 0.325 0.000 0.964 321 F CB 1.118 40.337 39.000 0.365 0.000 1.294 321 F HN 0.411 nan 8.300 nan 0.000 0.442 322 D N 1.332 122.135 120.400 0.672 0.000 2.304 322 D HA 0.058 4.700 4.640 0.003 0.000 0.250 322 D C -1.258 175.351 176.300 0.515 0.000 1.107 322 D CA 0.006 54.308 54.000 0.504 0.000 0.885 322 D CB 1.183 42.188 40.800 0.343 0.000 1.192 322 D HN 0.854 nan 8.370 nan 0.000 0.436 323 Y N 1.854 122.336 120.300 0.303 0.000 2.839 323 Y HA 0.288 4.840 4.550 0.003 0.000 0.361 323 Y C 1.278 177.312 175.900 0.223 0.000 1.008 323 Y CA 0.025 58.237 58.100 0.187 0.000 1.534 323 Y CB 0.072 38.505 38.460 -0.045 0.000 1.395 323 Y HN 0.770 nan 8.280 nan 0.000 0.534 324 G N 1.832 110.925 108.800 0.487 0.000 2.249 324 G HA2 -0.387 3.575 3.960 0.003 0.000 0.273 324 G HA3 -0.387 3.575 3.960 0.003 0.000 0.273 324 G C 0.361 175.412 174.900 0.252 0.000 1.036 324 G CA 0.675 46.003 45.100 0.381 0.000 0.824 324 G HN 0.664 nan 8.290 nan 0.000 0.504 325 N N -0.058 118.781 118.700 0.232 0.000 2.204 325 N HA 0.129 4.871 4.740 0.003 0.000 0.219 325 N C 0.785 176.407 175.510 0.186 0.000 1.151 325 N CA -0.012 53.164 53.050 0.211 0.000 0.867 325 N CB -0.138 38.493 38.487 0.239 0.000 1.043 325 N HN 0.382 nan 8.380 nan 0.000 0.516 326 N N -0.013 118.773 118.700 0.143 0.000 2.778 326 N HA -0.213 4.529 4.740 0.003 0.000 0.249 326 N C 0.410 175.937 175.510 0.029 0.000 1.069 326 N CA 0.786 53.896 53.050 0.100 0.000 0.831 326 N CB -1.732 36.823 38.487 0.114 0.000 1.142 326 N HN 0.560 nan 8.380 nan 0.000 0.573 327 I N -0.109 120.466 120.570 0.009 0.000 2.361 327 I HA -0.235 3.937 4.170 0.003 0.000 0.251 327 I C 2.125 178.149 176.117 -0.155 0.000 1.133 327 I CA 1.237 62.492 61.300 -0.075 0.000 1.413 327 I CB -0.006 37.949 38.000 -0.075 0.000 1.073 327 I HN 0.267 nan 8.210 nan 0.000 0.424 328 R N -0.163 120.182 120.500 -0.257 0.000 2.075 328 R HA -0.220 4.121 4.340 0.003 0.000 0.232 328 R C 2.257 178.261 176.300 -0.493 0.000 1.126 328 R CA 1.422 57.165 56.100 -0.596 0.000 0.963 328 R CB -0.371 29.202 30.300 -1.212 0.000 0.858 328 R HN 0.315 nan 8.270 nan 0.000 0.435 329 Q N 0.572 120.274 119.800 -0.163 0.000 2.046 329 Q HA -0.089 4.252 4.340 0.003 0.000 0.200 329 Q C 2.011 178.028 176.000 0.028 0.000 0.975 329 Q CA 1.620 57.500 55.803 0.128 0.000 0.836 329 Q CB -0.011 28.858 28.738 0.218 0.000 0.896 329 Q HN 0.141 nan 8.270 nan 0.000 0.428 330 M N -0.273 119.308 119.600 -0.031 0.000 2.082 330 M HA -0.159 4.323 4.480 0.003 0.000 0.258 330 M C 2.149 178.405 176.300 -0.073 0.000 1.069 330 M CA 1.885 57.149 55.300 -0.060 0.000 1.102 330 M CB -1.535 30.999 32.600 -0.111 0.000 1.336 330 M HN 0.369 nan 8.290 nan 0.000 0.404 331 A N -0.088 122.670 122.820 -0.103 0.000 1.902 331 A HA -0.188 4.134 4.320 0.003 0.000 0.217 331 A C 2.344 179.899 177.584 -0.049 0.000 1.181 331 A CA 1.863 53.849 52.037 -0.086 0.000 0.623 331 A CB -0.691 18.248 19.000 -0.101 0.000 0.818 331 A HN 0.473 nan 8.150 nan 0.000 0.443 332 K N -0.068 120.309 120.400 -0.038 0.000 2.063 332 K HA -0.212 4.110 4.320 0.003 0.000 0.208 332 K C 1.790 178.414 176.600 0.040 0.000 1.048 332 K CA 1.865 58.174 56.287 0.037 0.000 0.928 332 K CB -0.231 32.375 32.500 0.177 0.000 0.713 332 K HN 0.637 nan 8.250 nan 0.000 0.442 333 E N 0.005 120.225 120.200 0.033 0.000 2.265 333 E HA -0.146 4.206 4.350 0.003 0.000 0.196 333 E C 1.152 177.756 176.600 0.006 0.000 0.996 333 E CA 0.720 57.133 56.400 0.022 0.000 0.832 333 E CB 0.186 29.896 29.700 0.018 0.000 0.756 333 E HN 0.256 nan 8.360 nan 0.000 0.491 334 E N -0.829 119.368 120.200 -0.005 0.000 2.474 334 E HA 0.078 4.429 4.350 0.003 0.000 0.195 334 E C 0.970 177.568 176.600 -0.003 0.000 1.039 334 E CA 0.437 56.831 56.400 -0.010 0.000 0.881 334 E CB 1.043 30.727 29.700 -0.026 0.000 0.970 334 E HN 0.338 nan 8.360 nan 0.000 0.486 335 G N 0.511 109.314 108.800 0.005 0.000 2.163 335 G HA2 -0.248 3.713 3.960 0.003 0.000 0.213 335 G HA3 -0.248 3.713 3.960 0.003 0.000 0.213 335 G C 0.371 175.277 174.900 0.011 0.000 0.991 335 G CA 0.103 45.209 45.100 0.010 0.000 0.653 335 G HN 0.145 nan 8.290 nan 0.000 0.518 336 V N 1.819 121.737 119.914 0.006 0.000 2.229 336 V HA 0.474 4.596 4.120 0.003 0.000 0.245 336 V C 1.850 177.955 176.094 0.018 0.000 1.243 336 V CA 0.847 63.150 62.300 0.005 0.000 1.176 336 V CB 0.002 31.818 31.823 -0.012 0.000 1.323 336 V HN 0.785 nan 8.190 nan 0.000 0.499 337 A N 4.293 127.131 122.820 0.029 0.000 2.019 337 A HA -0.134 4.188 4.320 0.003 0.000 0.219 337 A C 1.778 179.400 177.584 0.063 0.000 1.164 337 A CA 1.659 53.724 52.037 0.047 0.000 0.644 337 A CB -0.290 18.731 19.000 0.035 0.000 0.805 337 A HN 0.821 nan 8.150 nan 0.000 0.449 338 N N -0.126 118.602 118.700 0.046 0.000 2.295 338 N HA 0.320 5.062 4.740 0.003 0.000 0.221 338 N C 0.988 176.508 175.510 0.016 0.000 1.129 338 N CA 0.689 53.770 53.050 0.052 0.000 0.836 338 N CB -0.238 38.279 38.487 0.049 0.000 1.040 338 N HN 0.247 nan 8.380 nan 0.000 0.494 339 A N 0.274 123.070 122.820 -0.040 0.000 2.024 339 A HA -0.037 4.285 4.320 0.003 0.000 0.220 339 A C 1.018 178.252 177.584 -0.582 0.000 1.164 339 A CA 0.768 52.642 52.037 -0.272 0.000 0.643 339 A CB -0.779 18.003 19.000 -0.363 0.000 0.806 339 A HN 0.282 nan 8.150 nan 0.000 0.451 340 F N -0.001 119.821 119.950 -0.214 0.000 2.664 340 F HA 0.126 4.654 4.527 0.003 0.000 0.301 340 F C 1.006 176.707 175.800 -0.164 0.000 1.126 340 F CA -0.102 57.748 58.000 -0.250 0.000 1.373 340 F CB 0.183 39.093 39.000 -0.150 0.000 1.042 340 F HN 0.119 nan 8.300 nan 0.000 0.535 341 D N 0.264 120.662 120.400 -0.004 0.000 2.269 341 D HA -0.080 4.562 4.640 0.003 0.000 0.208 341 D C 0.369 176.758 176.300 0.148 0.000 0.963 341 D CA 0.865 54.914 54.000 0.082 0.000 0.864 341 D CB -0.093 40.772 40.800 0.109 0.000 0.936 341 D HN 0.268 nan 8.370 nan 0.000 0.505 342 F N -0.337 119.645 119.950 0.054 0.000 2.450 342 F HA 0.661 5.190 4.527 0.003 0.000 0.332 342 F C -2.742 173.108 175.800 0.083 0.000 1.093 342 F CA -2.854 55.186 58.000 0.067 0.000 1.003 342 F CB 1.083 40.123 39.000 0.066 0.000 1.151 342 F HN -0.299 nan 8.300 nan 0.000 0.474 343 P HA 0.335 nan 4.420 nan 0.000 0.281 343 P C -0.268 177.152 177.300 0.200 0.000 1.264 343 P CA -0.271 62.902 63.100 0.123 0.000 0.824 343 P CB 1.341 33.059 31.700 0.031 0.000 1.092 344 G N 0.026 108.895 108.800 0.116 0.000 2.527 344 G HA2 0.194 4.156 3.960 0.003 0.000 0.248 344 G HA3 0.194 4.156 3.960 0.003 0.000 0.248 344 G C 0.636 175.577 174.900 0.067 0.000 1.231 344 G CA -0.646 44.547 45.100 0.156 0.000 0.838 344 G HN 0.564 nan 8.290 nan 0.000 0.570 345 F N 0.896 120.837 119.950 -0.016 0.000 2.293 345 F HA -0.036 4.493 4.527 0.003 0.000 0.300 345 F C 1.952 177.598 175.800 -0.257 0.000 1.086 345 F CA 0.841 58.729 58.000 -0.186 0.000 1.375 345 F CB -0.452 38.321 39.000 -0.379 0.000 1.045 345 F HN 0.160 nan 8.300 nan 0.000 0.516 346 V N 1.735 121.009 119.914 -1.067 0.000 2.255 346 V HA -0.131 3.991 4.120 0.003 0.000 0.243 346 V C -0.029 175.774 176.094 -0.485 0.000 1.038 346 V CA 2.016 63.804 62.300 -0.854 0.000 1.008 346 V CB -1.745 29.625 31.823 -0.755 0.000 0.645 346 V HN 0.197 nan 8.190 nan 0.000 0.449 347 P HA -0.191 nan 4.420 nan 0.000 0.216 347 P C 1.602 178.710 177.300 -0.321 0.000 1.153 347 P CA 2.216 65.170 63.100 -0.243 0.000 0.858 347 P CB -0.131 31.490 31.700 -0.132 0.000 0.789 348 A N -2.228 120.320 122.820 -0.453 0.000 1.872 348 A HA -0.153 4.169 4.320 0.003 0.000 0.214 348 A C 1.604 178.695 177.584 -0.822 0.000 1.187 348 A CA 1.613 53.198 52.037 -0.754 0.000 0.614 348 A CB -1.312 16.968 19.000 -1.200 0.000 0.826 348 A HN 0.164 nan 8.150 nan 0.000 0.442 349 Y N -2.031 118.083 120.300 -0.310 0.000 2.701 349 Y HA 0.281 4.833 4.550 0.003 0.000 0.275 349 Y C 2.061 177.724 175.900 -0.395 0.000 1.133 349 Y CA -0.589 57.304 58.100 -0.346 0.000 1.241 349 Y CB 0.031 38.259 38.460 -0.386 0.000 1.389 349 Y HN 0.069 nan 8.280 nan 0.000 0.486 350 I N 0.506 120.864 120.570 -0.354 0.000 2.333 350 I HA -0.126 4.046 4.170 0.003 0.000 0.246 350 I C 2.396 178.102 176.117 -0.684 0.000 1.106 350 I CA 1.189 62.160 61.300 -0.548 0.000 1.411 350 I CB -1.020 36.583 38.000 -0.661 0.000 1.082 350 I HN 0.169 nan 8.210 nan 0.000 0.420 351 R N 1.308 121.471 120.500 -0.563 0.000 2.091 351 R HA -0.150 4.192 4.340 0.003 0.000 0.238 351 R C -0.496 175.548 176.300 -0.426 0.000 1.136 351 R CA 1.848 57.665 56.100 -0.472 0.000 0.959 351 R CB -1.084 28.988 30.300 -0.379 0.000 0.856 351 R HN 0.211 nan 8.270 nan 0.000 0.437 352 P HA -0.143 nan 4.420 nan 0.000 0.218 352 P C 0.988 178.183 177.300 -0.175 0.000 1.148 352 P CA 1.211 64.167 63.100 -0.240 0.000 0.822 352 P CB -0.016 31.574 31.700 -0.183 0.000 0.784 353 L N -2.375 118.753 121.223 -0.160 0.000 2.027 353 L HA -0.142 4.200 4.340 0.003 0.000 0.206 353 L C 2.390 179.307 176.870 0.079 0.000 1.074 353 L CA 1.279 56.108 54.840 -0.019 0.000 0.745 353 L CB -0.997 41.097 42.059 0.058 0.000 0.898 353 L HN -0.089 nan 8.230 nan 0.000 0.433 354 F N -0.064 119.781 119.950 -0.175 0.000 2.154 354 F HA -0.265 4.264 4.527 0.003 0.000 0.301 354 F C 2.710 178.221 175.800 -0.481 0.000 1.087 354 F CA 0.588 58.383 58.000 -0.342 0.000 1.274 354 F CB -1.613 37.078 39.000 -0.516 0.000 1.009 354 F HN 0.191 nan 8.300 nan 0.000 0.485 355 C N -0.250 118.856 119.300 -0.324 0.000 2.410 355 C HA -0.156 4.306 4.460 0.003 0.000 0.281 355 C C 2.392 177.325 174.990 -0.094 0.000 1.318 355 C CA 0.730 59.597 59.018 -0.253 0.000 1.776 355 C CB -1.180 26.434 27.740 -0.211 0.000 1.942 355 C HN 0.329 nan 8.230 nan 0.000 0.508 356 R N -0.084 120.382 120.500 -0.057 0.000 2.427 356 R HA 0.217 4.559 4.340 0.003 0.000 0.262 356 R C 1.557 177.851 176.300 -0.011 0.000 0.943 356 R CA 0.623 56.710 56.100 -0.022 0.000 1.081 356 R CB -0.024 30.271 30.300 -0.009 0.000 1.166 356 R HN 0.520 nan 8.270 nan 0.000 0.534 357 G N 1.161 109.950 108.800 -0.018 0.000 2.166 357 G HA2 -0.274 3.687 3.960 0.003 0.000 0.260 357 G HA3 -0.274 3.687 3.960 0.003 0.000 0.260 357 G C 0.270 175.173 174.900 0.005 0.000 0.986 357 G CA 0.257 45.340 45.100 -0.028 0.000 0.683 357 G HN 0.178 nan 8.290 nan 0.000 0.527 358 V N 0.724 120.688 119.914 0.083 0.000 2.446 358 V HA 0.610 4.732 4.120 0.003 0.000 0.276 358 V C 1.062 177.270 176.094 0.190 0.000 1.030 358 V CA 0.811 63.203 62.300 0.154 0.000 1.033 358 V CB 0.804 32.762 31.823 0.225 0.000 0.993 358 V HN 1.008 nan 8.190 nan 0.000 0.477 359 G N 5.884 114.619 108.800 -0.109 0.000 2.645 359 G HA2 0.614 4.576 3.960 0.003 0.000 0.292 359 G HA3 0.614 4.576 3.960 0.003 0.000 0.292 359 G C -3.214 171.091 174.900 -0.992 0.000 1.415 359 G CA -1.043 43.649 45.100 -0.680 0.000 0.785 359 G HN 0.413 nan 8.290 nan 0.000 0.483 360 P HA 0.208 nan 4.420 nan 0.000 0.252 360 P C -0.721 176.479 177.300 -0.166 0.000 1.727 360 P CA -0.280 62.319 63.100 -0.835 0.000 1.134 360 P CB -0.146 31.260 31.700 -0.490 0.000 1.876 361 F N 4.348 124.221 119.950 -0.129 0.000 2.533 361 F HA 0.181 4.709 4.527 0.002 0.000 0.378 361 F C 0.715 176.689 175.800 0.290 0.000 1.070 361 F CA -0.092 57.959 58.000 0.085 0.000 1.172 361 F CB 0.454 39.529 39.000 0.124 0.000 1.085 361 F HN 0.155 nan 8.300 nan 0.000 0.552 362 R N 7.144 127.591 120.500 -0.088 0.000 2.534 362 R HA 0.489 4.830 4.340 0.003 0.000 0.301 362 R C -1.847 174.482 176.300 0.048 0.000 0.961 362 R CA -0.707 55.397 56.100 0.006 0.000 0.871 362 R CB 1.160 31.447 30.300 -0.023 0.000 1.170 362 R HN 0.827 nan 8.270 nan 0.000 0.446 363 W N 2.442 123.681 121.300 -0.102 0.000 3.083 363 W HA 0.803 5.465 4.660 0.004 0.000 0.333 363 W C -2.060 174.437 176.519 -0.036 0.000 1.217 363 W CA -0.969 56.331 57.345 -0.076 0.000 1.170 363 W CB 1.206 30.671 29.460 0.010 0.000 1.437 363 W HN 0.669 nan 8.180 nan 0.000 0.557 364 A N 1.603 124.492 122.820 0.114 0.000 2.449 364 A HA 0.855 5.177 4.320 0.003 0.000 0.302 364 A C -1.109 176.486 177.584 0.018 0.000 1.048 364 A CA -0.758 51.269 52.037 -0.018 0.000 0.708 364 A CB 1.256 20.260 19.000 0.006 0.000 1.274 364 A HN 1.558 nan 8.150 nan 0.000 0.410 365 A N 1.951 124.721 122.820 -0.083 0.000 2.310 365 A HA 0.525 4.847 4.320 0.003 0.000 0.300 365 A C 0.797 178.346 177.584 -0.058 0.000 1.269 365 A CA -0.441 51.541 52.037 -0.092 0.000 0.909 365 A CB -0.477 18.415 19.000 -0.180 0.000 1.144 365 A HN 0.923 nan 8.150 nan 0.000 0.540 366 L N 2.682 123.901 121.223 -0.007 0.000 2.191 366 L HA -0.183 4.159 4.340 0.003 0.000 0.212 366 L C 2.786 179.701 176.870 0.075 0.000 1.103 366 L CA 1.584 56.470 54.840 0.076 0.000 0.769 366 L CB -0.426 41.737 42.059 0.174 0.000 0.908 366 L HN 0.911 nan 8.230 nan 0.000 0.438 367 S N -0.158 115.543 115.700 0.003 0.000 2.399 367 S HA -0.117 4.355 4.470 0.003 0.000 0.231 367 S C 1.787 176.379 174.600 -0.013 0.000 1.022 367 S CA 1.003 59.208 58.200 0.008 0.000 0.983 367 S CB -0.379 62.795 63.200 -0.044 0.000 0.803 367 S HN 0.574 nan 8.310 nan 0.000 0.480 368 G N 0.585 109.348 108.800 -0.062 0.000 2.176 368 G HA2 -0.203 3.759 3.960 0.003 0.000 0.253 368 G HA3 -0.203 3.759 3.960 0.003 0.000 0.253 368 G C -0.243 174.569 174.900 -0.146 0.000 0.979 368 G CA 0.195 45.237 45.100 -0.095 0.000 0.641 368 G HN 0.572 nan 8.290 nan 0.000 0.530 369 E N 0.440 120.549 120.200 -0.152 0.000 2.223 369 E HA 0.549 4.901 4.350 0.003 0.000 0.282 369 E C 1.440 177.861 176.600 -0.299 0.000 1.046 369 E CA 0.279 56.580 56.400 -0.164 0.000 0.857 369 E CB 1.221 30.855 29.700 -0.110 0.000 1.055 369 E HN 0.453 nan 8.360 nan 0.000 0.409 370 A N 3.732 126.357 122.820 -0.324 0.000 1.940 370 A HA -0.263 4.059 4.320 0.003 0.000 0.219 370 A C 1.977 179.140 177.584 -0.702 0.000 1.176 370 A CA 1.822 53.525 52.037 -0.558 0.000 0.631 370 A CB -0.246 18.630 19.000 -0.208 0.000 0.814 370 A HN 0.550 nan 8.150 nan 0.000 0.446 371 E N 0.460 120.473 120.200 -0.312 0.000 2.160 371 E HA -0.191 4.161 4.350 0.003 0.000 0.195 371 E C 1.341 177.875 176.600 -0.110 0.000 0.991 371 E CA 1.529 57.868 56.400 -0.102 0.000 0.810 371 E CB -0.299 29.416 29.700 0.025 0.000 0.742 371 E HN 0.548 nan 8.360 nan 0.000 0.466 372 D N -0.333 119.964 120.400 -0.171 0.000 2.123 372 D HA -0.147 4.495 4.640 0.003 0.000 0.196 372 D C 1.726 177.944 176.300 -0.137 0.000 0.992 372 D CA 0.845 54.757 54.000 -0.145 0.000 0.833 372 D CB -0.068 40.636 40.800 -0.161 0.000 0.954 372 D HN 0.243 nan 8.370 nan 0.000 0.455 373 I N 0.255 120.686 120.570 -0.232 0.000 2.286 373 I HA -0.229 3.943 4.170 0.003 0.000 0.245 373 I C 2.052 178.231 176.117 0.103 0.000 1.104 373 I CA 0.925 62.161 61.300 -0.106 0.000 1.397 373 I CB -1.017 36.800 38.000 -0.306 0.000 1.072 373 I HN 0.056 nan 8.210 nan 0.000 0.417 374 Y N 1.621 121.973 120.300 0.087 0.000 2.224 374 Y HA -0.166 4.386 4.550 0.003 0.000 0.289 374 Y C 2.547 178.479 175.900 0.054 0.000 1.146 374 Y CA 0.716 58.864 58.100 0.080 0.000 1.182 374 Y CB -1.088 37.409 38.460 0.062 0.000 0.983 374 Y HN 0.184 nan 8.280 nan 0.000 0.524 375 K N -0.385 120.112 120.400 0.162 0.000 2.057 375 K HA -0.145 4.176 4.320 0.003 0.000 0.207 375 K C 2.118 178.750 176.600 0.053 0.000 1.049 375 K CA 2.035 58.369 56.287 0.078 0.000 0.931 375 K CB -0.450 32.061 32.500 0.018 0.000 0.714 375 K HN 0.474 nan 8.250 nan 0.000 0.440 376 T N -0.433 114.131 114.554 0.017 0.000 2.857 376 T HA -0.112 4.239 4.350 0.003 0.000 0.266 376 T C 1.428 176.269 174.700 0.234 0.000 1.048 376 T CA 1.169 63.227 62.100 -0.069 0.000 1.139 376 T CB -0.240 68.351 68.868 -0.462 0.000 0.874 376 T HN 0.005 nan 8.240 nan 0.000 0.455 377 D N 2.272 122.875 120.400 0.338 0.000 2.104 377 D HA -0.041 4.601 4.640 0.003 0.000 0.194 377 D C 2.485 178.893 176.300 0.181 0.000 0.994 377 D CA 1.688 55.887 54.000 0.332 0.000 0.830 377 D CB -0.723 40.238 40.800 0.268 0.000 0.959 377 D HN 0.566 nan 8.370 nan 0.000 0.452 378 A N 0.588 123.484 122.820 0.126 0.000 1.933 378 A HA -0.195 4.127 4.320 0.003 0.000 0.218 378 A C 2.076 179.700 177.584 0.067 0.000 1.175 378 A CA 1.925 53.999 52.037 0.063 0.000 0.628 378 A CB -0.390 18.643 19.000 0.056 0.000 0.814 378 A HN 0.088 nan 8.150 nan 0.000 0.444 379 K N 0.009 120.472 120.400 0.105 0.000 2.057 379 K HA -0.073 4.249 4.320 0.003 0.000 0.207 379 K C 1.684 178.354 176.600 0.117 0.000 1.049 379 K CA 1.857 58.215 56.287 0.119 0.000 0.931 379 K CB -0.746 31.861 32.500 0.178 0.000 0.714 379 K HN 0.198 nan 8.250 nan 0.000 0.440 380 V N 1.162 121.173 119.914 0.161 0.000 2.295 380 V HA -0.263 3.859 4.120 0.003 0.000 0.246 380 V C 2.099 178.233 176.094 0.065 0.000 1.049 380 V CA 2.137 64.510 62.300 0.123 0.000 1.024 380 V CB -0.438 31.526 31.823 0.236 0.000 0.648 380 V HN 0.351 nan 8.190 nan 0.000 0.447 381 K N -0.078 120.309 120.400 -0.022 0.000 2.103 381 K HA -0.253 4.069 4.320 0.003 0.000 0.207 381 K C 2.227 178.839 176.600 0.019 0.000 1.048 381 K CA 1.848 57.995 56.287 -0.233 0.000 0.930 381 K CB -0.214 31.985 32.500 -0.502 0.000 0.716 381 K HN 0.585 nan 8.250 nan 0.000 0.444 382 E N 1.122 121.344 120.200 0.035 0.000 2.051 382 E HA -0.176 4.176 4.350 0.003 0.000 0.192 382 E C 1.877 178.516 176.600 0.065 0.000 0.991 382 E CA 0.963 57.400 56.400 0.061 0.000 0.799 382 E CB 0.067 29.795 29.700 0.047 0.000 0.748 382 E HN 0.250 nan 8.360 nan 0.000 0.449 383 L N 0.433 121.685 121.223 0.048 0.000 2.341 383 L HA 0.080 4.422 4.340 0.003 0.000 0.214 383 L C 0.938 177.830 176.870 0.036 0.000 1.115 383 L CA 0.357 55.209 54.840 0.021 0.000 0.820 383 L CB 0.237 42.282 42.059 -0.024 0.000 0.944 383 L HN 0.137 nan 8.230 nan 0.000 0.452 384 I N 1.054 121.676 120.570 0.086 0.000 2.620 384 I HA 0.149 4.320 4.170 0.003 0.000 0.280 384 I C -1.644 174.613 176.117 0.233 0.000 1.143 384 I CA -1.116 60.257 61.300 0.122 0.000 1.163 384 I CB 1.035 39.108 38.000 0.121 0.000 1.461 384 I HN -0.126 nan 8.210 nan 0.000 0.530 385 P HA -0.005 nan 4.420 nan 0.000 0.226 385 P C 0.518 177.810 177.300 -0.013 0.000 1.161 385 P CA 1.048 64.241 63.100 0.155 0.000 0.804 385 P CB 0.467 32.221 31.700 0.090 0.000 0.829 386 D N -0.595 119.793 120.400 -0.019 0.000 2.339 386 D HA -0.000 4.642 4.640 0.003 0.000 0.217 386 D C 0.159 176.405 176.300 -0.090 0.000 1.050 386 D CA 0.539 54.501 54.000 -0.062 0.000 0.856 386 D CB -0.095 40.694 40.800 -0.017 0.000 0.922 386 D HN 0.136 nan 8.370 nan 0.000 0.518 387 D N 0.599 120.947 120.400 -0.087 0.000 2.456 387 D HA 0.282 4.923 4.640 0.003 0.000 0.219 387 D C 1.101 177.340 176.300 -0.101 0.000 1.126 387 D CA -0.394 53.600 54.000 -0.010 0.000 0.890 387 D CB 1.027 41.897 40.800 0.117 0.000 1.025 387 D HN -0.086 nan 8.370 nan 0.000 0.511 388 A N 4.372 127.114 122.820 -0.130 0.000 1.933 388 A HA -0.202 4.120 4.320 0.003 0.000 0.218 388 A C 1.806 179.355 177.584 -0.057 0.000 1.175 388 A CA 1.164 53.091 52.037 -0.184 0.000 0.628 388 A CB -0.520 18.340 19.000 -0.233 0.000 0.814 388 A HN 0.709 nan 8.150 nan 0.000 0.444 389 H N -1.334 117.805 119.070 0.115 0.000 2.428 389 H HA -0.066 4.492 4.556 0.003 0.000 0.296 389 H C 2.085 177.602 175.328 0.315 0.000 1.062 389 H CA 1.593 57.754 56.048 0.189 0.000 1.350 389 H CB -0.207 29.626 29.762 0.119 0.000 1.403 389 H HN 0.465 nan 8.280 nan 0.000 0.533 390 L N 0.770 122.248 121.223 0.425 0.000 2.056 390 L HA -0.146 4.196 4.340 0.003 0.000 0.207 390 L C 2.274 179.431 176.870 0.479 0.000 1.078 390 L CA 1.675 56.797 54.840 0.470 0.000 0.749 390 L CB -0.770 41.542 42.059 0.421 0.000 0.901 390 L HN 0.247 nan 8.230 nan 0.000 0.433 391 H N -0.722 118.474 119.070 0.210 0.000 2.352 391 H HA -0.188 4.369 4.556 0.003 0.000 0.299 391 H C 2.315 177.718 175.328 0.124 0.000 1.097 391 H CA 1.474 57.608 56.048 0.143 0.000 1.311 391 H CB 0.107 29.921 29.762 0.085 0.000 1.377 391 H HN 0.359 nan 8.280 nan 0.000 0.504 392 R N 0.860 121.528 120.500 0.280 0.000 2.073 392 R HA -0.163 4.179 4.340 0.003 0.000 0.234 392 R C 2.458 178.878 176.300 0.201 0.000 1.134 392 R CA 1.471 57.695 56.100 0.207 0.000 0.952 392 R CB -0.442 29.989 30.300 0.217 0.000 0.850 392 R HN 0.499 nan 8.270 nan 0.000 0.433 393 W N 1.432 122.815 121.300 0.139 0.000 2.335 393 W HA -0.246 4.416 4.660 0.003 0.000 0.311 393 W C 1.369 177.864 176.519 -0.040 0.000 1.213 393 W CA 1.293 58.614 57.345 -0.040 0.000 1.274 393 W CB -0.328 29.128 29.460 -0.006 0.000 1.148 393 W HN 0.179 nan 8.180 nan 0.000 0.498 394 L N 0.619 121.742 121.223 -0.166 0.000 2.093 394 L HA -0.213 4.129 4.340 0.003 0.000 0.208 394 L C 2.306 179.018 176.870 -0.264 0.000 1.085 394 L CA 1.466 56.145 54.840 -0.267 0.000 0.755 394 L CB -0.999 41.074 42.059 0.023 0.000 0.904 394 L HN -0.156 nan 8.230 nan 0.000 0.435 395 D N -0.028 120.277 120.400 -0.159 0.000 2.097 395 D HA -0.175 4.467 4.640 0.003 0.000 0.195 395 D C 2.241 178.408 176.300 -0.221 0.000 0.989 395 D CA 1.521 55.432 54.000 -0.147 0.000 0.827 395 D CB -0.024 40.739 40.800 -0.062 0.000 0.966 395 D HN 0.295 nan 8.370 nan 0.000 0.456 396 M N -0.144 119.297 119.600 -0.265 0.000 2.514 396 M HA 0.122 4.604 4.480 0.003 0.000 0.258 396 M C 1.978 178.001 176.300 -0.462 0.000 1.119 396 M CA 0.132 55.257 55.300 -0.292 0.000 1.111 396 M CB 0.354 32.841 32.600 -0.188 0.000 1.390 396 M HN -0.060 nan 8.290 nan 0.000 0.475 397 A N 0.850 123.227 122.820 -0.739 0.000 1.898 397 A HA -0.186 4.136 4.320 0.003 0.000 0.216 397 A C 2.089 179.368 177.584 -0.508 0.000 1.181 397 A CA 1.734 53.267 52.037 -0.839 0.000 0.620 397 A CB -0.600 17.670 19.000 -1.217 0.000 0.819 397 A HN 0.470 nan 8.150 nan 0.000 0.442 398 R N -0.042 120.222 120.500 -0.393 0.000 2.091 398 R HA -0.163 4.179 4.340 0.003 0.000 0.238 398 R C 1.928 178.045 176.300 -0.306 0.000 1.136 398 R CA 1.946 57.861 56.100 -0.308 0.000 0.959 398 R CB -0.265 29.835 30.300 -0.333 0.000 0.856 398 R HN 0.667 nan 8.270 nan 0.000 0.437 399 E N -0.664 119.367 120.200 -0.282 0.000 2.112 399 E HA -0.076 4.276 4.350 0.003 0.000 0.190 399 E C 1.708 178.178 176.600 -0.216 0.000 0.979 399 E CA 0.837 57.103 56.400 -0.223 0.000 0.814 399 E CB 0.273 29.862 29.700 -0.186 0.000 0.762 399 E HN 0.344 nan 8.360 nan 0.000 0.460 400 R N -0.483 119.865 120.500 -0.254 0.000 2.469 400 R HA 0.240 4.582 4.340 0.003 0.000 0.250 400 R C -0.166 175.987 176.300 -0.245 0.000 0.909 400 R CA -0.119 55.846 56.100 -0.225 0.000 1.050 400 R CB 1.024 31.205 30.300 -0.198 0.000 1.256 400 R HN -0.010 nan 8.270 nan 0.000 0.550 401 I N 1.384 121.768 120.570 -0.309 0.000 2.330 401 I HA 0.120 4.292 4.170 0.003 0.000 0.289 401 I C -0.096 175.816 176.117 -0.341 0.000 1.001 401 I CA 0.074 61.205 61.300 -0.283 0.000 1.193 401 I CB 1.939 39.769 38.000 -0.284 0.000 1.345 401 I HN -0.143 nan 8.210 nan 0.000 0.461 402 S N 6.114 121.677 115.700 -0.229 0.000 2.523 402 S HA 0.438 4.909 4.470 0.003 0.000 0.275 402 S C -0.126 174.378 174.600 -0.159 0.000 1.281 402 S CA -0.468 57.600 58.200 -0.219 0.000 1.050 402 S CB 0.143 63.292 63.200 -0.086 0.000 0.937 402 S HN 0.189 nan 8.310 nan 0.000 0.492 403 F N 2.305 122.234 119.950 -0.034 0.000 2.553 403 F HA 0.167 4.696 4.527 0.003 0.000 0.356 403 F C 1.182 176.966 175.800 -0.027 0.000 1.142 403 F CA -0.021 57.949 58.000 -0.049 0.000 1.322 403 F CB 0.203 39.161 39.000 -0.070 0.000 1.126 403 F HN 0.446 nan 8.300 nan 0.000 0.599 404 Q N 1.062 120.973 119.800 0.185 0.000 2.292 404 Q HA 0.514 4.856 4.340 0.003 0.000 0.270 404 Q C 0.504 176.549 176.000 0.074 0.000 1.024 404 Q CA -0.275 55.591 55.803 0.104 0.000 0.768 404 Q CB 2.167 30.947 28.738 0.071 0.000 1.250 404 Q HN 0.940 nan 8.270 nan 0.000 0.447 405 G N 1.949 110.789 108.800 0.067 0.000 2.574 405 G HA2 -0.324 3.637 3.960 0.003 0.000 0.286 405 G HA3 -0.324 3.637 3.960 0.003 0.000 0.286 405 G C -0.265 174.635 174.900 0.000 0.000 1.212 405 G CA -0.534 44.592 45.100 0.043 0.000 0.979 405 G HN 0.546 nan 8.290 nan 0.000 0.557 406 L N 2.545 123.757 121.223 -0.019 0.000 2.513 406 L HA 0.251 4.593 4.340 0.003 0.000 0.272 406 L C -1.691 175.060 176.870 -0.200 0.000 1.187 406 L CA -1.239 53.549 54.840 -0.087 0.000 0.895 406 L CB 0.427 42.463 42.059 -0.039 0.000 1.147 406 L HN 0.267 nan 8.230 nan 0.000 0.483 407 P HA 0.099 nan 4.420 nan 0.000 0.262 407 P C -0.756 176.182 177.300 -0.604 0.000 1.182 407 P CA 0.241 62.758 63.100 -0.972 0.000 0.761 407 P CB 0.843 31.656 31.700 -1.478 0.000 0.795 408 A N 2.912 125.481 122.820 -0.419 0.000 2.593 408 A HA 0.880 5.202 4.320 0.003 0.000 0.290 408 A C -1.012 176.410 177.584 -0.269 0.000 1.126 408 A CA -0.558 51.297 52.037 -0.304 0.000 0.695 408 A CB 1.812 20.711 19.000 -0.168 0.000 1.290 408 A HN 0.426 nan 8.150 nan 0.000 0.414 409 R N -0.335 119.806 120.500 -0.599 0.000 2.668 409 R HA 0.782 5.124 4.340 0.003 0.000 0.272 409 R C -2.101 173.869 176.300 -0.551 0.000 1.019 409 R CA -0.432 55.291 56.100 -0.629 0.000 0.894 409 R CB 1.162 30.786 30.300 -1.127 0.000 1.228 409 R HN 0.676 nan 8.270 nan 0.000 0.460 410 I N 3.176 123.704 120.570 -0.071 0.000 2.569 410 I HA 0.585 4.757 4.170 0.003 0.000 0.296 410 I C -0.488 175.857 176.117 0.380 0.000 1.028 410 I CA -0.853 60.526 61.300 0.131 0.000 1.082 410 I CB 1.902 39.992 38.000 0.150 0.000 1.264 410 I HN 0.861 nan 8.210 nan 0.000 0.429 411 C N 1.849 121.460 119.300 0.519 0.000 3.241 411 C HA 0.633 5.095 4.460 0.003 0.000 0.312 411 C C -1.709 173.598 174.990 0.529 0.000 1.350 411 C CA -0.930 58.398 59.018 0.517 0.000 1.415 411 C CB 1.213 29.343 27.740 0.651 0.000 1.770 411 C HN 0.769 nan 8.230 nan 0.000 0.466 412 W N 2.294 123.689 121.300 0.158 0.000 2.316 412 W HA 0.621 5.283 4.660 0.003 0.000 0.308 412 W C 0.098 176.680 176.519 0.105 0.000 1.106 412 W CA -0.236 57.190 57.345 0.135 0.000 1.262 412 W CB 1.455 30.955 29.460 0.066 0.000 1.233 412 W HN 0.862 nan 8.180 nan 0.000 0.447 413 V N 1.827 121.843 119.914 0.171 0.000 3.007 413 V HA 1.036 5.157 4.120 0.003 0.000 0.311 413 V C -0.027 176.050 176.094 -0.028 0.000 1.120 413 V CA -1.007 61.303 62.300 0.017 0.000 0.980 413 V CB 1.295 32.996 31.823 -0.203 0.000 1.033 413 V HN 0.563 nan 8.190 nan 0.000 0.429 414 G N 1.441 110.220 108.800 -0.035 0.000 2.753 414 G HA2 0.599 4.560 3.960 0.003 0.000 0.285 414 G HA3 0.599 4.560 3.960 0.003 0.000 0.285 414 G C -0.730 174.132 174.900 -0.064 0.000 1.344 414 G CA -1.130 43.953 45.100 -0.027 0.000 1.050 414 G HN 1.114 nan 8.290 nan 0.000 0.532 415 L N 0.661 121.857 121.223 -0.045 0.000 2.559 415 L HA 0.412 4.754 4.340 0.003 0.000 0.274 415 L C 1.419 178.255 176.870 -0.055 0.000 1.205 415 L CA 2.304 57.115 54.840 -0.049 0.000 0.907 415 L CB 0.350 42.389 42.059 -0.033 0.000 1.153 415 L HN 1.455 nan 8.230 nan 0.000 0.490 416 G N 3.455 112.214 108.800 -0.067 0.000 2.956 416 G HA2 -0.299 3.663 3.960 0.003 0.000 0.210 416 G HA3 -0.299 3.663 3.960 0.003 0.000 0.210 416 G C 0.825 175.661 174.900 -0.107 0.000 1.316 416 G CA 0.242 45.300 45.100 -0.071 0.000 0.819 416 G HN 0.590 nan 8.290 nan 0.000 0.544 417 L N 0.839 121.983 121.223 -0.132 0.000 2.179 417 L HA 0.155 4.497 4.340 0.003 0.000 0.208 417 L C 3.106 179.778 176.870 -0.331 0.000 1.096 417 L CA 1.163 55.886 54.840 -0.195 0.000 0.779 417 L CB -0.370 41.588 42.059 -0.168 0.000 0.922 417 L HN 0.273 nan 8.230 nan 0.000 0.443 418 R N 0.112 120.414 120.500 -0.331 0.000 2.083 418 R HA -0.185 4.157 4.340 0.003 0.000 0.237 418 R C 2.394 178.526 176.300 -0.280 0.000 1.137 418 R CA 1.594 57.431 56.100 -0.438 0.000 0.951 418 R CB -0.501 29.701 30.300 -0.164 0.000 0.851 418 R HN 0.347 nan 8.270 nan 0.000 0.434 419 A N 1.313 124.033 122.820 -0.167 0.000 1.898 419 A HA -0.183 4.139 4.320 0.003 0.000 0.216 419 A C 2.078 179.565 177.584 -0.162 0.000 1.181 419 A CA 1.345 53.310 52.037 -0.119 0.000 0.620 419 A CB -0.373 18.580 19.000 -0.078 0.000 0.819 419 A HN 0.225 nan 8.150 nan 0.000 0.442 420 K N -0.837 119.453 120.400 -0.184 0.000 2.044 420 K HA -0.185 4.137 4.320 0.003 0.000 0.210 420 K C 1.784 178.223 176.600 -0.268 0.000 1.049 420 K CA 1.616 57.793 56.287 -0.183 0.000 0.927 420 K CB -0.275 32.130 32.500 -0.158 0.000 0.713 420 K HN 0.301 nan 8.250 nan 0.000 0.443 421 L N 0.335 121.302 121.223 -0.426 0.000 2.027 421 L HA -0.060 4.281 4.340 0.003 0.000 0.206 421 L C 2.492 178.870 176.870 -0.821 0.000 1.074 421 L CA 2.150 56.566 54.840 -0.707 0.000 0.745 421 L CB -1.300 40.172 42.059 -0.979 0.000 0.898 421 L HN 0.371 nan 8.230 nan 0.000 0.433 422 G N -1.013 107.511 108.800 -0.460 0.000 2.418 422 G HA2 -0.209 3.753 3.960 0.003 0.000 0.217 422 G HA3 -0.209 3.753 3.960 0.003 0.000 0.217 422 G C 1.689 176.501 174.900 -0.147 0.000 1.158 422 G CA 0.746 45.698 45.100 -0.247 0.000 0.771 422 G HN 0.341 nan 8.290 nan 0.000 0.545 423 L N 0.498 121.639 121.223 -0.136 0.000 2.093 423 L HA 0.015 4.357 4.340 0.003 0.000 0.208 423 L C 3.379 180.223 176.870 -0.043 0.000 1.085 423 L CA 0.843 55.642 54.840 -0.068 0.000 0.755 423 L CB -0.342 41.679 42.059 -0.062 0.000 0.904 423 L HN 0.306 nan 8.230 nan 0.000 0.435 424 A N 0.042 122.812 122.820 -0.083 0.000 1.898 424 A HA -0.191 4.130 4.320 0.003 0.000 0.216 424 A C 2.051 179.728 177.584 0.156 0.000 1.181 424 A CA 1.296 53.336 52.037 0.005 0.000 0.620 424 A CB -0.644 18.341 19.000 -0.025 0.000 0.819 424 A HN 0.258 nan 8.150 nan 0.000 0.442 425 F N 0.454 120.349 119.950 -0.092 0.000 2.095 425 F HA -0.175 4.354 4.527 0.002 0.000 0.298 425 F C 2.199 177.953 175.800 -0.077 0.000 1.104 425 F CA 1.234 59.171 58.000 -0.105 0.000 1.232 425 F CB -1.457 37.452 39.000 -0.151 0.000 0.987 425 F HN 0.335 nan 8.300 nan 0.000 0.475 426 N N 0.268 119.051 118.700 0.140 0.000 2.104 426 N HA -0.198 4.544 4.740 0.003 0.000 0.190 426 N C 1.636 177.163 175.510 0.027 0.000 1.024 426 N CA 1.534 54.615 53.050 0.053 0.000 0.853 426 N CB -0.166 38.339 38.487 0.030 0.000 1.008 426 N HN 0.313 nan 8.380 nan 0.000 0.424 427 E N -0.729 119.491 120.200 0.033 0.000 2.153 427 E HA -0.122 4.229 4.350 0.003 0.000 0.194 427 E C 1.866 178.476 176.600 0.016 0.000 0.988 427 E CA 0.953 57.365 56.400 0.020 0.000 0.811 427 E CB -0.028 29.684 29.700 0.019 0.000 0.746 427 E HN 0.492 nan 8.360 nan 0.000 0.466 428 M N -0.219 119.398 119.600 0.029 0.000 2.254 428 M HA -0.116 4.366 4.480 0.003 0.000 0.265 428 M C 2.172 178.456 176.300 -0.028 0.000 1.066 428 M CA 0.795 56.098 55.300 0.005 0.000 1.123 428 M CB 0.177 32.780 32.600 0.004 0.000 1.388 428 M HN 0.015 nan 8.290 nan 0.000 0.425 429 V N 0.245 120.136 119.914 -0.038 0.000 2.307 429 V HA -0.259 3.863 4.120 0.003 0.000 0.245 429 V C 2.361 178.420 176.094 -0.059 0.000 1.045 429 V CA 1.962 64.215 62.300 -0.077 0.000 1.024 429 V CB -0.840 30.918 31.823 -0.108 0.000 0.651 429 V HN 0.477 nan 8.190 nan 0.000 0.449 430 R N 1.113 121.593 120.500 -0.033 0.000 2.096 430 R HA -0.214 4.127 4.340 0.003 0.000 0.240 430 R C 2.444 178.736 176.300 -0.013 0.000 1.139 430 R CA 2.253 58.342 56.100 -0.018 0.000 0.952 430 R CB -0.421 29.876 30.300 -0.005 0.000 0.854 430 R HN 0.661 nan 8.270 nan 0.000 0.436 431 S N -1.463 114.230 115.700 -0.010 0.000 2.489 431 S HA 0.090 4.561 4.470 0.003 0.000 0.228 431 S C 1.432 176.026 174.600 -0.009 0.000 0.995 431 S CA 0.679 58.875 58.200 -0.005 0.000 0.934 431 S CB 0.285 63.484 63.200 -0.001 0.000 0.771 431 S HN 0.694 nan 8.310 nan 0.000 0.522 432 G N 1.082 109.870 108.800 -0.020 0.000 2.176 432 G HA2 -0.322 3.640 3.960 0.003 0.000 0.253 432 G HA3 -0.322 3.640 3.960 0.003 0.000 0.253 432 G C 0.533 175.419 174.900 -0.024 0.000 0.979 432 G CA 0.504 45.590 45.100 -0.023 0.000 0.641 432 G HN 0.561 nan 8.290 nan 0.000 0.530 433 E N -0.502 119.685 120.200 -0.022 0.000 2.077 433 E HA 0.042 4.393 4.350 0.003 0.000 0.193 433 E C 1.162 177.740 176.600 -0.037 0.000 0.989 433 E CA 0.402 56.790 56.400 -0.020 0.000 0.800 433 E CB -0.061 29.632 29.700 -0.011 0.000 0.746 433 E HN 0.598 nan 8.360 nan 0.000 0.452 434 L N 1.224 122.412 121.223 -0.058 0.000 2.326 434 L HA 0.071 4.412 4.340 0.003 0.000 0.278 434 L C 1.588 178.406 176.870 -0.086 0.000 1.092 434 L CA -0.252 54.536 54.840 -0.086 0.000 0.810 434 L CB 1.583 43.570 42.059 -0.120 0.000 1.153 434 L HN 0.121 nan 8.230 nan 0.000 0.439 435 S N 1.604 117.255 115.700 -0.083 0.000 2.453 435 S HA 0.173 4.645 4.470 0.003 0.000 0.231 435 S C 0.598 175.143 174.600 -0.092 0.000 1.005 435 S CA 0.352 58.513 58.200 -0.065 0.000 0.949 435 S CB 0.128 63.301 63.200 -0.044 0.000 0.774 435 S HN 0.722 nan 8.310 nan 0.000 0.510 436 A N 0.701 123.424 122.820 -0.162 0.000 2.602 436 A HA 0.766 5.088 4.320 0.003 0.000 0.290 436 A C -3.217 174.117 177.584 -0.417 0.000 1.114 436 A CA -1.916 49.931 52.037 -0.316 0.000 0.683 436 A CB 0.198 19.054 19.000 -0.240 0.000 1.281 436 A HN 0.150 nan 8.150 nan 0.000 0.416 437 P HA 0.280 nan 4.420 nan 0.000 0.269 437 P C -0.325 176.818 177.300 -0.262 0.000 1.211 437 P CA 0.158 62.949 63.100 -0.515 0.000 0.781 437 P CB 0.398 31.644 31.700 -0.756 0.000 0.877 438 V N -0.369 119.474 119.914 -0.119 0.000 2.864 438 V HA 0.748 4.870 4.120 0.003 0.000 0.314 438 V C -0.203 175.928 176.094 0.062 0.000 1.073 438 V CA -1.123 61.172 62.300 -0.010 0.000 0.956 438 V CB 1.875 33.701 31.823 0.005 0.000 1.023 438 V HN 0.383 nan 8.190 nan 0.000 0.435 439 V N 1.080 121.060 119.914 0.111 0.000 2.547 439 V HA 0.731 4.853 4.120 0.003 0.000 0.299 439 V C -0.301 175.842 176.094 0.082 0.000 1.040 439 V CA -0.616 61.744 62.300 0.100 0.000 0.913 439 V CB 1.283 33.198 31.823 0.153 0.000 0.992 439 V HN 0.831 nan 8.190 nan 0.000 0.449 440 I N 3.870 124.430 120.570 -0.016 0.000 2.389 440 I HA 0.820 4.992 4.170 0.003 0.000 0.288 440 I C 0.713 176.711 176.117 -0.198 0.000 0.999 440 I CA 0.067 61.298 61.300 -0.114 0.000 1.129 440 I CB 1.594 39.487 38.000 -0.178 0.000 1.288 440 I HN 1.002 nan 8.210 nan 0.000 0.444 441 G N 5.352 114.031 108.800 -0.200 0.000 3.137 441 G HA2 0.854 4.815 3.960 0.003 0.000 0.196 441 G HA3 0.854 4.815 3.960 0.003 0.000 0.196 441 G C -1.243 173.568 174.900 -0.149 0.000 1.135 441 G CA -0.623 44.362 45.100 -0.193 0.000 0.803 441 G HN 0.649 nan 8.290 nan 0.000 0.619 442 R N -0.972 119.482 120.500 -0.076 0.000 2.829 442 R HA 0.377 4.719 4.340 0.003 0.000 0.283 442 R C -1.851 174.476 176.300 0.046 0.000 1.013 442 R CA -0.818 55.259 56.100 -0.037 0.000 0.848 442 R CB 0.469 30.724 30.300 -0.074 0.000 1.291 442 R HN 0.483 nan 8.270 nan 0.000 0.496 443 D N -0.161 120.276 120.400 0.062 0.000 2.354 443 D HA 0.040 4.682 4.640 0.003 0.000 0.238 443 D C 0.482 176.894 176.300 0.186 0.000 1.250 443 D CA 0.065 54.141 54.000 0.127 0.000 0.911 443 D CB 0.518 41.380 40.800 0.103 0.000 1.163 443 D HN 0.624 nan 8.370 nan 0.000 0.456 444 H N 0.048 119.115 119.070 -0.005 0.000 2.555 444 H HA 0.095 4.652 4.556 0.003 0.000 0.269 444 H C 0.062 175.373 175.328 -0.029 0.000 0.988 444 H CA -0.067 55.971 56.048 -0.017 0.000 1.178 444 H CB 0.380 30.151 29.762 0.015 0.000 1.373 444 H HN 0.045 nan 8.280 nan 0.000 0.588 445 L N 2.447 123.734 121.223 0.107 0.000 2.389 445 L HA 0.169 4.511 4.340 0.003 0.000 0.265 445 L C -0.425 176.457 176.870 0.020 0.000 1.167 445 L CA -0.297 54.608 54.840 0.107 0.000 1.045 445 L CB 0.098 42.280 42.059 0.205 0.000 1.351 445 L HN 0.149 nan 8.230 nan 0.000 0.419 446 D N -0.449 119.827 120.400 -0.207 0.000 2.592 446 D HA 0.184 4.826 4.640 0.003 0.000 0.263 446 D C 0.852 176.566 176.300 -0.976 0.000 1.132 446 D CA -0.461 53.218 54.000 -0.534 0.000 0.996 446 D CB 2.077 42.682 40.800 -0.325 0.000 1.442 446 D HN 0.001 nan 8.370 nan 0.000 0.486 447 S N -0.354 114.618 115.700 -1.213 0.000 2.383 447 S HA -0.049 4.423 4.470 0.003 0.000 0.229 447 S C 1.536 175.902 174.600 -0.390 0.000 1.030 447 S CA 1.958 59.529 58.200 -1.049 0.000 1.002 447 S CB -0.387 62.495 63.200 -0.530 0.000 0.829 447 S HN 0.540 nan 8.310 nan 0.000 0.467 448 G N -0.547 108.085 108.800 -0.280 0.000 3.519 448 G HA2 0.281 4.243 3.960 0.003 0.000 0.269 448 G HA3 0.281 4.243 3.960 0.003 0.000 0.269 448 G C 0.709 175.569 174.900 -0.068 0.000 1.028 448 G CA 0.509 45.527 45.100 -0.137 0.000 0.809 448 G HN 0.593 nan 8.290 nan 0.000 0.521 449 S N -1.180 114.456 115.700 -0.106 0.000 2.701 449 S HA 0.479 4.951 4.470 0.003 0.000 0.242 449 S C -0.197 174.425 174.600 0.036 0.000 1.025 449 S CA -0.338 57.832 58.200 -0.050 0.000 1.016 449 S CB 1.039 64.172 63.200 -0.111 0.000 0.977 449 S HN 0.384 nan 8.310 nan 0.000 0.546 450 V N 1.173 121.118 119.914 0.052 0.000 2.777 450 V HA 0.695 4.817 4.120 0.003 0.000 0.306 450 V C -1.598 174.584 176.094 0.146 0.000 1.112 450 V CA -0.267 62.120 62.300 0.145 0.000 0.917 450 V CB 2.179 34.086 31.823 0.140 0.000 1.018 450 V HN 0.340 nan 8.190 nan 0.000 0.426 451 S N 4.314 120.131 115.700 0.195 0.000 2.498 451 S HA 0.699 5.171 4.470 0.003 0.000 0.317 451 S C -0.443 174.280 174.600 0.206 0.000 1.090 451 S CA -0.416 57.894 58.200 0.183 0.000 1.089 451 S CB 1.427 64.739 63.200 0.186 0.000 0.997 451 S HN 0.952 nan 8.310 nan 0.000 0.470 452 S N 3.661 119.472 115.700 0.185 0.000 2.417 452 S HA 0.372 4.844 4.470 0.003 0.000 0.189 452 S C -2.598 172.106 174.600 0.174 0.000 1.005 452 S CA -0.994 57.329 58.200 0.205 0.000 1.116 452 S CB 0.573 63.897 63.200 0.207 0.000 1.343 452 S HN 0.277 nan 8.310 nan 0.000 0.406 453 P HA 0.017 nan 4.420 nan 0.000 0.225 453 P C 0.588 177.972 177.300 0.141 0.000 1.148 453 P CA 1.040 64.228 63.100 0.146 0.000 0.779 453 P CB -0.062 31.728 31.700 0.150 0.000 0.780 454 N N -1.865 116.936 118.700 0.167 0.000 2.353 454 N HA 0.115 4.857 4.740 0.003 0.000 0.185 454 N C 1.431 177.013 175.510 0.120 0.000 1.098 454 N CA 0.045 53.174 53.050 0.131 0.000 0.872 454 N CB 0.316 38.861 38.487 0.097 0.000 0.970 454 N HN 0.089 nan 8.380 nan 0.000 0.467 455 R N 0.119 120.693 120.500 0.123 0.000 2.875 455 R HA 0.166 4.508 4.340 0.003 0.000 0.110 455 R C 0.848 177.183 176.300 0.059 0.000 1.387 455 R CA -0.152 56.013 56.100 0.109 0.000 1.147 455 R CB -0.080 30.310 30.300 0.151 0.000 1.019 455 R HN -0.120 nan 8.270 nan 0.000 0.411 456 E N 0.920 121.179 120.200 0.098 0.000 2.204 456 E HA -0.086 4.265 4.350 0.003 0.000 0.194 456 E C 1.053 177.721 176.600 0.113 0.000 0.989 456 E CA 1.720 58.187 56.400 0.112 0.000 0.824 456 E CB 0.067 29.899 29.700 0.219 0.000 0.756 456 E HN 0.480 nan 8.360 nan 0.000 0.477 457 T N -2.137 112.479 114.554 0.103 0.000 3.215 457 T HA 0.157 4.509 4.350 0.003 0.000 0.271 457 T C 0.314 175.058 174.700 0.073 0.000 1.012 457 T CA -0.524 61.627 62.100 0.085 0.000 0.899 457 T CB 0.082 68.998 68.868 0.080 0.000 1.089 457 T HN -0.073 nan 8.240 nan 0.000 0.552 458 E N 1.685 121.921 120.200 0.060 0.000 2.376 458 E HA 0.357 4.708 4.350 0.003 0.000 0.266 458 E C 0.589 177.212 176.600 0.038 0.000 1.009 458 E CA 0.513 56.944 56.400 0.052 0.000 0.902 458 E CB 0.375 30.105 29.700 0.050 0.000 0.972 458 E HN 0.611 nan 8.360 nan 0.000 0.439 459 A N 4.950 127.788 122.820 0.031 0.000 2.791 459 A HA -0.178 4.144 4.320 0.003 0.000 0.292 459 A C 0.339 177.962 177.584 0.064 0.000 1.487 459 A CA 0.654 52.704 52.037 0.021 0.000 0.760 459 A CB -1.414 17.587 19.000 0.003 0.000 1.031 459 A HN 0.537 nan 8.150 nan 0.000 0.503 460 M N -0.008 119.641 119.600 0.081 0.000 2.251 460 M HA 0.027 4.508 4.480 0.003 0.000 0.343 460 M C 1.849 178.190 176.300 0.069 0.000 1.245 460 M CA 0.842 56.224 55.300 0.138 0.000 1.061 460 M CB -0.106 32.550 32.600 0.093 0.000 1.723 460 M HN 0.681 nan 8.290 nan 0.000 0.449 461 R N 1.703 122.218 120.500 0.026 0.000 2.193 461 R HA -0.155 4.187 4.340 0.003 0.000 0.229 461 R C 0.489 176.715 176.300 -0.123 0.000 1.110 461 R CA 1.800 57.820 56.100 -0.133 0.000 0.988 461 R CB -0.411 29.648 30.300 -0.402 0.000 0.871 461 R HN 0.673 nan 8.270 nan 0.000 0.458 462 D N -0.801 119.541 120.400 -0.097 0.000 2.349 462 D HA 0.104 4.745 4.640 0.003 0.000 0.214 462 D C 1.071 177.358 176.300 -0.022 0.000 1.063 462 D CA 0.449 54.411 54.000 -0.063 0.000 0.847 462 D CB 0.385 41.151 40.800 -0.056 0.000 0.933 462 D HN 0.383 nan 8.370 nan 0.000 0.513 463 G N 0.754 109.549 108.800 -0.009 0.000 2.143 463 G HA2 -0.318 3.644 3.960 0.003 0.000 0.249 463 G HA3 -0.318 3.644 3.960 0.003 0.000 0.249 463 G C 0.816 175.732 174.900 0.027 0.000 0.981 463 G CA 0.597 45.699 45.100 0.004 0.000 0.665 463 G HN 0.702 nan 8.290 nan 0.000 0.528 464 S N -0.066 115.660 115.700 0.043 0.000 2.710 464 S HA 0.225 4.697 4.470 0.003 0.000 0.224 464 S C 1.464 176.119 174.600 0.092 0.000 0.948 464 S CA 0.812 59.059 58.200 0.080 0.000 0.949 464 S CB 0.179 63.450 63.200 0.119 0.000 0.778 464 S HN 0.263 nan 8.310 nan 0.000 0.498 465 D N 3.405 123.847 120.400 0.071 0.000 2.157 465 D HA -0.168 4.474 4.640 0.003 0.000 0.191 465 D C 1.803 178.163 176.300 0.101 0.000 1.004 465 D CA 1.993 56.040 54.000 0.079 0.000 0.854 465 D CB -0.517 40.325 40.800 0.070 0.000 0.936 465 D HN 0.685 nan 8.370 nan 0.000 0.446 466 A N 0.100 122.975 122.820 0.092 0.000 2.275 466 A HA 0.198 4.519 4.320 0.003 0.000 0.212 466 A C 0.692 178.332 177.584 0.093 0.000 1.201 466 A CA -0.202 51.888 52.037 0.089 0.000 0.843 466 A CB 0.265 19.301 19.000 0.059 0.000 0.873 466 A HN 0.057 nan 8.150 nan 0.000 0.492 467 V N 2.377 122.367 119.914 0.126 0.000 2.450 467 V HA 0.067 4.189 4.120 0.003 0.000 0.281 467 V C 1.229 177.425 176.094 0.169 0.000 1.019 467 V CA 0.989 63.366 62.300 0.129 0.000 1.062 467 V CB 0.522 32.464 31.823 0.199 0.000 0.979 467 V HN 0.592 nan 8.190 nan 0.000 0.477 468 S N 1.101 116.840 115.700 0.064 0.000 2.568 468 S HA 0.075 4.547 4.470 0.003 0.000 0.232 468 S C 0.922 175.507 174.600 -0.025 0.000 0.975 468 S CA -0.429 57.814 58.200 0.071 0.000 0.949 468 S CB 0.027 63.262 63.200 0.058 0.000 0.829 468 S HN 0.710 nan 8.310 nan 0.000 0.479 469 D N 2.104 122.392 120.400 -0.186 0.000 2.149 469 D HA -0.127 4.515 4.640 0.003 0.000 0.198 469 D C 1.042 177.184 176.300 -0.265 0.000 0.990 469 D CA 1.201 55.007 54.000 -0.323 0.000 0.839 469 D CB -0.244 40.209 40.800 -0.578 0.000 0.948 469 D HN 0.626 nan 8.370 nan 0.000 0.460 470 W N 1.484 122.768 121.300 -0.026 0.000 2.354 470 W HA -0.097 4.564 4.660 0.003 0.000 0.315 470 W C -0.325 176.172 176.519 -0.037 0.000 1.206 470 W CA 0.656 57.980 57.345 -0.035 0.000 1.290 470 W CB -1.846 27.586 29.460 -0.046 0.000 1.152 470 W HN 0.142 nan 8.180 nan 0.000 0.489 471 P HA -0.134 nan 4.420 nan 0.000 0.218 471 P C 1.456 178.775 177.300 0.032 0.000 1.149 471 P CA 1.324 64.479 63.100 0.091 0.000 0.817 471 P CB -0.098 31.659 31.700 0.094 0.000 0.785 472 L N -0.741 120.490 121.223 0.013 0.000 2.027 472 L HA -0.099 4.243 4.340 0.003 0.000 0.206 472 L C 2.799 179.654 176.870 -0.025 0.000 1.074 472 L CA 1.604 56.431 54.840 -0.021 0.000 0.745 472 L CB -1.829 40.203 42.059 -0.044 0.000 0.898 472 L HN -0.118 nan 8.230 nan 0.000 0.433 473 L N -0.479 120.728 121.223 -0.026 0.000 2.083 473 L HA -0.233 4.109 4.340 0.003 0.000 0.209 473 L C 2.480 179.356 176.870 0.011 0.000 1.083 473 L CA 1.290 56.120 54.840 -0.016 0.000 0.752 473 L CB -0.662 41.383 42.059 -0.022 0.000 0.899 473 L HN 0.490 nan 8.230 nan 0.000 0.433 474 N N 0.686 119.404 118.700 0.030 0.000 2.084 474 N HA -0.208 4.534 4.740 0.003 0.000 0.190 474 N C 1.836 177.331 175.510 -0.026 0.000 1.030 474 N CA 1.732 54.787 53.050 0.008 0.000 0.849 474 N CB 0.122 38.611 38.487 0.004 0.000 1.012 474 N HN 0.320 nan 8.380 nan 0.000 0.423 475 A N 1.579 124.377 122.820 -0.036 0.000 1.898 475 A HA -0.027 4.294 4.320 0.003 0.000 0.216 475 A C 2.556 180.122 177.584 -0.031 0.000 1.181 475 A CA 0.787 52.796 52.037 -0.048 0.000 0.620 475 A CB -0.707 18.263 19.000 -0.050 0.000 0.819 475 A HN 0.340 nan 8.150 nan 0.000 0.442 476 L N -1.146 120.062 121.223 -0.024 0.000 2.042 476 L HA -0.183 4.159 4.340 0.003 0.000 0.210 476 L C 2.561 179.424 176.870 -0.011 0.000 1.076 476 L CA 1.286 56.115 54.840 -0.018 0.000 0.749 476 L CB -0.500 41.545 42.059 -0.022 0.000 0.893 476 L HN 0.460 nan 8.230 nan 0.000 0.432 477 L N -0.113 121.104 121.223 -0.010 0.000 2.109 477 L HA -0.114 4.228 4.340 0.003 0.000 0.207 477 L C 2.150 179.015 176.870 -0.007 0.000 1.086 477 L CA 1.633 56.471 54.840 -0.003 0.000 0.760 477 L CB -0.699 41.362 42.059 0.003 0.000 0.910 477 L HN 0.212 nan 8.230 nan 0.000 0.437 478 N N -1.085 117.603 118.700 -0.020 0.000 2.331 478 N HA -0.105 4.637 4.740 0.003 0.000 0.180 478 N C 1.620 177.119 175.510 -0.019 0.000 1.019 478 N CA 1.509 54.541 53.050 -0.029 0.000 0.881 478 N CB -0.246 38.207 38.487 -0.057 0.000 0.972 478 N HN 0.395 nan 8.380 nan 0.000 0.435 479 T N 0.630 115.177 114.554 -0.012 0.000 2.737 479 T HA -0.003 4.348 4.350 0.003 0.000 0.265 479 T C 1.961 176.669 174.700 0.014 0.000 1.038 479 T CA 1.251 63.351 62.100 -0.001 0.000 1.144 479 T CB -0.245 68.622 68.868 -0.001 0.000 0.866 479 T HN 0.293 nan 8.240 nan 0.000 0.434 480 A N 1.179 124.010 122.820 0.019 0.000 1.972 480 A HA 0.156 4.478 4.320 0.003 0.000 0.219 480 A C 2.515 180.125 177.584 0.044 0.000 1.169 480 A CA 1.704 53.764 52.037 0.038 0.000 0.635 480 A CB -1.072 17.943 19.000 0.026 0.000 0.810 480 A HN 0.517 nan 8.150 nan 0.000 0.446 481 G N -1.859 106.956 108.800 0.025 0.000 2.494 481 G HA2 0.345 4.306 3.960 0.003 0.000 0.216 481 G HA3 0.345 4.306 3.960 0.003 0.000 0.216 481 G C 1.052 175.969 174.900 0.028 0.000 1.140 481 G CA 0.667 45.780 45.100 0.022 0.000 0.801 481 G HN 1.687 nan 8.290 nan 0.000 0.536 482 G N -1.137 107.677 108.800 0.024 0.000 2.155 482 G HA2 0.269 4.231 3.960 0.003 0.000 0.135 482 G HA3 0.269 4.231 3.960 0.003 0.000 0.135 482 G C 0.349 175.257 174.900 0.013 0.000 1.023 482 G CA 0.095 45.212 45.100 0.027 0.000 0.688 482 G HN 1.151 nan 8.290 nan 0.000 0.499 483 A N -0.281 122.534 122.820 -0.009 0.000 2.448 483 A HA 0.640 4.961 4.320 0.003 0.000 0.239 483 A C 1.633 179.225 177.584 0.014 0.000 1.080 483 A CA 1.490 53.506 52.037 -0.036 0.000 0.779 483 A CB 0.273 19.222 19.000 -0.085 0.000 1.026 483 A HN 0.764 nan 8.150 nan 0.000 0.499 484 T N 0.168 114.736 114.554 0.023 0.000 2.937 484 T HA 0.095 4.447 4.350 0.003 0.000 0.260 484 T C 0.172 175.110 174.700 0.395 0.000 1.051 484 T CA 1.734 63.958 62.100 0.206 0.000 1.141 484 T CB -0.262 68.790 68.868 0.305 0.000 0.879 484 T HN 0.840 nan 8.240 nan 0.000 0.459 485 W N -0.238 121.091 121.300 0.048 0.000 3.127 485 W HA 0.733 5.395 4.660 0.002 0.000 0.330 485 W C -2.114 174.397 176.519 -0.015 0.000 1.187 485 W CA -1.266 56.094 57.345 0.024 0.000 1.198 485 W CB 1.167 30.656 29.460 0.049 0.000 1.408 485 W HN -0.350 nan 8.180 nan 0.000 0.529 486 V N 3.074 123.068 119.914 0.134 0.000 2.588 486 V HA 0.652 4.774 4.120 0.003 0.000 0.304 486 V C -0.532 175.575 176.094 0.022 0.000 1.042 486 V CA -0.697 61.605 62.300 0.002 0.000 0.877 486 V CB 1.767 33.584 31.823 -0.011 0.000 0.996 486 V HN 0.669 nan 8.190 nan 0.000 0.425 487 S N 4.873 120.544 115.700 -0.049 0.000 2.526 487 S HA 0.791 5.263 4.470 0.003 0.000 0.293 487 S C -0.886 173.678 174.600 -0.060 0.000 1.092 487 S CA -0.592 57.593 58.200 -0.026 0.000 0.980 487 S CB 1.721 64.886 63.200 -0.059 0.000 1.048 487 S HN 0.530 nan 8.310 nan 0.000 0.483 488 L N 3.140 124.411 121.223 0.080 0.000 2.376 488 L HA 0.540 4.882 4.340 0.003 0.000 0.275 488 L C -0.531 176.507 176.870 0.280 0.000 0.987 488 L CA -0.402 54.488 54.840 0.082 0.000 0.828 488 L CB 1.352 43.432 42.059 0.034 0.000 1.249 488 L HN 0.691 nan 8.230 nan 0.000 0.409 489 H N 1.493 120.528 119.070 -0.058 0.000 2.771 489 H HA 0.450 5.008 4.556 0.003 0.000 0.367 489 H C -1.334 173.816 175.328 -0.296 0.000 1.172 489 H CA -0.887 55.095 56.048 -0.110 0.000 1.186 489 H CB 3.006 32.768 29.762 -0.001 0.000 1.790 489 H HN 0.553 nan 8.280 nan 0.000 0.556 490 H N -0.242 118.774 119.070 -0.091 0.000 2.589 490 H HA 0.300 4.858 4.556 0.003 0.000 0.351 490 H C 0.417 175.826 175.328 0.135 0.000 1.074 490 H CA 0.165 56.183 56.048 -0.050 0.000 1.203 490 H CB 1.500 31.256 29.762 -0.009 0.000 1.558 490 H HN 1.029 nan 8.280 nan 0.000 0.522 491 G N 3.171 111.924 108.800 -0.079 0.000 2.143 491 G HA2 -0.247 3.715 3.960 0.003 0.000 0.249 491 G HA3 -0.247 3.715 3.960 0.003 0.000 0.249 491 G C 0.594 175.722 174.900 0.381 0.000 0.981 491 G CA 0.111 45.165 45.100 -0.077 0.000 0.665 491 G HN 0.980 nan 8.290 nan 0.000 0.528 492 G N -1.183 107.994 108.800 0.629 0.000 2.432 492 G HA2 0.512 4.474 3.960 0.003 0.000 0.239 492 G HA3 0.512 4.474 3.960 0.003 0.000 0.239 492 G C 1.572 176.612 174.900 0.234 0.000 1.291 492 G CA 1.568 46.874 45.100 0.342 0.000 0.863 492 G HN 1.828 nan 8.290 nan 0.000 0.560 493 G N 0.302 109.237 108.800 0.225 0.000 3.548 493 G HA2 -0.316 3.645 3.960 0.003 0.000 0.224 493 G HA3 -0.316 3.645 3.960 0.003 0.000 0.224 493 G C 1.424 176.448 174.900 0.207 0.000 1.351 493 G CA 1.473 46.691 45.100 0.197 0.000 0.905 493 G HN 1.985 nan 8.290 nan 0.000 0.561 494 V N -0.825 119.221 119.914 0.220 0.000 3.660 494 V HA 0.634 4.756 4.120 0.003 0.000 0.276 494 V C 1.460 177.693 176.094 0.233 0.000 1.317 494 V CA 0.821 63.224 62.300 0.171 0.000 1.097 494 V CB -0.371 31.549 31.823 0.161 0.000 0.863 494 V HN 2.543 nan 8.190 nan 0.000 0.438 495 G N 0.471 109.455 108.800 0.307 0.000 2.712 495 G HA2 -0.109 3.853 3.960 0.003 0.000 0.683 495 G HA3 -0.109 3.853 3.960 0.003 0.000 0.683 495 G C -0.547 174.290 174.900 -0.105 0.000 1.320 495 G CA -0.467 44.791 45.100 0.263 0.000 0.847 495 G HN 0.248 nan 8.290 nan 0.000 0.553 496 M N 1.204 120.313 119.600 -0.818 0.000 2.290 496 M HA 0.305 4.786 4.480 0.003 0.000 0.356 496 M C 1.799 177.977 176.300 -0.205 0.000 1.448 496 M CA 2.041 56.851 55.300 -0.817 0.000 0.993 496 M CB -0.652 31.236 32.600 -1.186 0.000 1.934 496 M HN 2.538 nan 8.290 nan 0.000 0.461 497 G N 3.007 111.837 108.800 0.050 0.000 2.234 497 G HA2 -0.273 3.689 3.960 0.003 0.000 0.235 497 G HA3 -0.273 3.689 3.960 0.003 0.000 0.235 497 G C 0.376 175.074 174.900 -0.336 0.000 0.997 497 G CA -0.122 44.904 45.100 -0.123 0.000 0.623 497 G HN 0.606 nan 8.290 nan 0.000 0.514 498 F N 1.983 121.996 119.950 0.105 0.000 2.706 498 F HA 0.504 5.033 4.527 0.003 0.000 0.313 498 F C 1.190 177.084 175.800 0.156 0.000 1.096 498 F CA 0.580 58.649 58.000 0.115 0.000 1.219 498 F CB 1.145 40.203 39.000 0.097 0.000 1.051 498 F HN 0.479 nan 8.300 nan 0.000 0.568 499 S N -0.628 115.264 115.700 0.320 0.000 2.547 499 S HA 0.682 5.153 4.470 0.003 0.000 0.270 499 S C -1.213 173.600 174.600 0.356 0.000 1.150 499 S CA -0.805 57.604 58.200 0.348 0.000 0.850 499 S CB 2.459 65.906 63.200 0.413 0.000 1.118 499 S HN 0.090 nan 8.310 nan 0.000 0.461 500 Q N 0.638 120.622 119.800 0.307 0.000 2.331 500 Q HA 0.653 4.995 4.340 0.003 0.000 0.272 500 Q C -1.579 174.542 176.000 0.201 0.000 1.062 500 Q CA -0.676 55.217 55.803 0.150 0.000 0.806 500 Q CB 2.269 31.070 28.738 0.104 0.000 1.312 500 Q HN 0.993 nan 8.270 nan 0.000 0.431 501 H N -1.814 117.364 119.070 0.180 0.000 3.037 501 H HA 0.683 5.240 4.556 0.003 0.000 0.336 501 H C -1.332 174.008 175.328 0.021 0.000 1.323 501 H CA -1.066 55.059 56.048 0.128 0.000 1.159 501 H CB 1.161 31.048 29.762 0.208 0.000 1.882 501 H HN 0.526 nan 8.280 nan 0.000 0.535 502 S N 0.790 116.454 115.700 -0.059 0.000 2.568 502 S HA 0.884 5.356 4.470 0.003 0.000 0.293 502 S C -0.127 174.008 174.600 -0.776 0.000 1.089 502 S CA -0.338 57.667 58.200 -0.325 0.000 0.945 502 S CB 1.972 65.074 63.200 -0.163 0.000 1.077 502 S HN 1.224 nan 8.310 nan 0.000 0.485 503 G N 0.516 108.807 108.800 -0.848 0.000 2.569 503 G HA2 0.749 4.710 3.960 0.003 0.000 0.300 503 G HA3 0.749 4.710 3.960 0.003 0.000 0.300 503 G C -0.983 173.729 174.900 -0.315 0.000 1.269 503 G CA -1.060 43.642 45.100 -0.662 0.000 0.959 503 G HN 1.204 nan 8.290 nan 0.000 0.478 504 M N -0.351 119.089 119.600 -0.266 0.000 2.465 504 M HA 0.772 5.254 4.480 0.003 0.000 0.284 504 M C -1.753 174.298 176.300 -0.416 0.000 1.212 504 M CA -0.875 54.247 55.300 -0.297 0.000 0.910 504 M CB 1.914 34.389 32.600 -0.208 0.000 1.725 504 M HN 0.445 nan 8.290 nan 0.000 0.477 505 V N 3.149 122.650 119.914 -0.688 0.000 2.789 505 V HA 0.751 4.873 4.120 0.003 0.000 0.311 505 V C -1.147 174.591 176.094 -0.594 0.000 1.073 505 V CA -0.625 61.187 62.300 -0.814 0.000 0.921 505 V CB 2.058 32.935 31.823 -1.576 0.000 1.009 505 V HN 1.016 nan 8.190 nan 0.000 0.426 506 I N 3.938 124.307 120.570 -0.334 0.000 2.582 506 I HA 0.681 4.853 4.170 0.003 0.000 0.292 506 I C -0.532 175.557 176.117 -0.047 0.000 1.066 506 I CA -0.931 60.283 61.300 -0.143 0.000 1.053 506 I CB 2.103 40.054 38.000 -0.083 0.000 1.241 506 I HN 0.618 nan 8.210 nan 0.000 0.421 507 V N 4.637 124.583 119.914 0.053 0.000 2.509 507 V HA 0.449 4.571 4.120 0.003 0.000 0.284 507 V C -0.377 175.757 176.094 0.065 0.000 1.047 507 V CA -0.441 61.923 62.300 0.106 0.000 0.952 507 V CB 0.856 32.806 31.823 0.210 0.000 0.988 507 V HN 0.817 nan 8.190 nan 0.000 0.469 508 C N 6.175 125.500 119.300 0.041 0.000 2.203 508 C HA 0.512 4.974 4.460 0.003 0.000 0.325 508 C C 0.911 175.878 174.990 -0.039 0.000 1.156 508 C CA -0.196 58.834 59.018 0.020 0.000 1.597 508 C CB -0.786 26.983 27.740 0.049 0.000 2.148 508 C HN 1.015 nan 8.230 nan 0.000 0.472 509 D N 0.536 120.918 120.400 -0.031 0.000 2.402 509 D HA 0.217 4.858 4.640 0.003 0.000 0.216 509 D C 1.463 177.717 176.300 -0.077 0.000 1.128 509 D CA 0.480 54.419 54.000 -0.102 0.000 0.833 509 D CB -0.061 40.736 40.800 -0.006 0.000 0.971 509 D HN 0.806 nan 8.370 nan 0.000 0.503 510 G N 0.431 109.207 108.800 -0.040 0.000 2.199 510 G HA2 -0.291 3.670 3.960 0.003 0.000 0.254 510 G HA3 -0.291 3.670 3.960 0.003 0.000 0.254 510 G C 0.558 175.459 174.900 0.002 0.000 0.982 510 G CA 0.617 45.703 45.100 -0.023 0.000 0.632 510 G HN 0.801 nan 8.290 nan 0.000 0.529 511 T N -2.024 112.540 114.554 0.016 0.000 2.882 511 T HA 0.546 4.898 4.350 0.003 0.000 0.287 511 T C 0.848 175.563 174.700 0.026 0.000 1.014 511 T CA 0.541 62.658 62.100 0.029 0.000 1.049 511 T CB 1.925 70.821 68.868 0.046 0.000 1.001 511 T HN 0.018 nan 8.240 nan 0.000 0.525 512 D N 0.016 120.431 120.400 0.025 0.000 2.183 512 D HA -0.139 4.503 4.640 0.003 0.000 0.203 512 D C 2.050 178.366 176.300 0.027 0.000 0.969 512 D CA 1.428 55.441 54.000 0.022 0.000 0.842 512 D CB -0.027 40.784 40.800 0.019 0.000 0.957 512 D HN 0.893 nan 8.370 nan 0.000 0.484 513 E N 0.036 120.258 120.200 0.036 0.000 2.110 513 E HA -0.178 4.173 4.350 0.003 0.000 0.193 513 E C 2.046 178.673 176.600 0.045 0.000 0.988 513 E CA 1.180 57.605 56.400 0.043 0.000 0.804 513 E CB -0.307 29.425 29.700 0.053 0.000 0.745 513 E HN 0.215 nan 8.360 nan 0.000 0.458 514 A N 1.930 124.777 122.820 0.045 0.000 1.877 514 A HA -0.041 4.281 4.320 0.003 0.000 0.216 514 A C 2.603 180.204 177.584 0.028 0.000 1.186 514 A CA 2.019 54.081 52.037 0.042 0.000 0.620 514 A CB -1.063 17.963 19.000 0.043 0.000 0.822 514 A HN 0.453 nan 8.150 nan 0.000 0.443 515 A N -0.420 122.413 122.820 0.021 0.000 1.917 515 A HA -0.223 4.099 4.320 0.003 0.000 0.219 515 A C 1.955 179.545 177.584 0.009 0.000 1.182 515 A CA 1.902 53.946 52.037 0.011 0.000 0.633 515 A CB -0.488 18.517 19.000 0.008 0.000 0.819 515 A HN 0.521 nan 8.150 nan 0.000 0.448 516 E N -0.229 119.981 120.200 0.016 0.000 2.072 516 E HA -0.163 4.188 4.350 0.003 0.000 0.191 516 E C 2.288 178.898 176.600 0.017 0.000 0.985 516 E CA 1.093 57.503 56.400 0.016 0.000 0.801 516 E CB -0.327 29.386 29.700 0.022 0.000 0.750 516 E HN 0.657 nan 8.360 nan 0.000 0.452 517 R N 0.289 120.804 120.500 0.024 0.000 2.066 517 R HA -0.042 4.300 4.340 0.003 0.000 0.232 517 R C 2.614 178.920 176.300 0.010 0.000 1.131 517 R CA 1.010 57.124 56.100 0.023 0.000 0.955 517 R CB -0.427 29.893 30.300 0.033 0.000 0.851 517 R HN 0.155 nan 8.270 nan 0.000 0.432 518 I N 0.962 121.537 120.570 0.007 0.000 2.163 518 I HA -0.316 3.856 4.170 0.003 0.000 0.243 518 I C 2.701 178.812 176.117 -0.009 0.000 1.085 518 I CA 1.492 62.790 61.300 -0.002 0.000 1.347 518 I CB -0.482 37.517 38.000 -0.002 0.000 1.044 518 I HN 0.205 nan 8.210 nan 0.000 0.408 519 A N 0.757 123.571 122.820 -0.010 0.000 1.892 519 A HA -0.240 4.081 4.320 0.003 0.000 0.218 519 A C 2.418 179.995 177.584 -0.013 0.000 1.188 519 A CA 1.778 53.805 52.037 -0.017 0.000 0.631 519 A CB -0.624 18.368 19.000 -0.013 0.000 0.822 519 A HN 0.331 nan 8.150 nan 0.000 0.447 520 R N -0.917 119.580 120.500 -0.005 0.000 2.061 520 R HA -0.071 4.270 4.340 0.003 0.000 0.230 520 R C 2.136 178.432 176.300 -0.007 0.000 1.140 520 R CA 1.543 57.641 56.100 -0.003 0.000 0.940 520 R CB -0.795 29.508 30.300 0.006 0.000 0.839 520 R HN 0.375 nan 8.270 nan 0.000 0.429 521 V N 1.797 121.706 119.914 -0.008 0.000 2.295 521 V HA -0.209 3.913 4.120 0.003 0.000 0.246 521 V C 2.225 178.310 176.094 -0.016 0.000 1.049 521 V CA 1.630 63.920 62.300 -0.016 0.000 1.024 521 V CB -0.380 31.429 31.823 -0.024 0.000 0.648 521 V HN 0.315 nan 8.190 nan 0.000 0.447 522 L N -0.596 120.622 121.223 -0.009 0.000 2.552 522 L HA -0.042 4.299 4.340 0.003 0.000 0.227 522 L C 2.240 179.100 176.870 -0.018 0.000 1.146 522 L CA 0.851 55.692 54.840 0.003 0.000 0.858 522 L CB -0.611 41.462 42.059 0.024 0.000 0.969 522 L HN 0.380 nan 8.230 nan 0.000 0.451 523 T N -1.119 113.422 114.554 -0.022 0.000 2.925 523 T HA -0.005 4.346 4.350 0.003 0.000 0.245 523 T C 1.672 176.361 174.700 -0.020 0.000 1.025 523 T CA 0.641 62.726 62.100 -0.024 0.000 1.149 523 T CB 0.006 68.861 68.868 -0.021 0.000 0.866 523 T HN 0.235 nan 8.240 nan 0.000 0.437 524 N N 1.558 120.250 118.700 -0.015 0.000 2.142 524 N HA -0.074 4.668 4.740 0.003 0.000 0.186 524 N C 1.612 177.112 175.510 -0.018 0.000 1.023 524 N CA 1.057 54.100 53.050 -0.011 0.000 0.852 524 N CB -0.531 37.953 38.487 -0.006 0.000 0.998 524 N HN 0.356 nan 8.380 nan 0.000 0.424 525 D N 0.791 121.174 120.400 -0.028 0.000 2.087 525 D HA -0.073 4.569 4.640 0.003 0.000 0.192 525 D C -0.910 175.356 176.300 -0.057 0.000 0.993 525 D CA 1.207 55.180 54.000 -0.045 0.000 0.828 525 D CB -0.778 39.990 40.800 -0.052 0.000 0.968 525 D HN 0.199 nan 8.370 nan 0.000 0.448 526 P HA -0.021 nan 4.420 nan 0.000 0.219 526 P C 1.658 178.928 177.300 -0.050 0.000 1.150 526 P CA 1.585 64.645 63.100 -0.066 0.000 0.814 526 P CB -0.323 31.345 31.700 -0.053 0.000 0.787 527 G N 0.853 109.634 108.800 -0.031 0.000 2.469 527 G HA2 -0.308 3.653 3.960 0.003 0.000 0.219 527 G HA3 -0.308 3.653 3.960 0.003 0.000 0.219 527 G C 1.681 176.578 174.900 -0.005 0.000 1.150 527 G CA 2.161 47.252 45.100 -0.015 0.000 0.763 527 G HN 0.406 nan 8.290 nan 0.000 0.561 528 T N -1.174 113.378 114.554 -0.003 0.000 2.833 528 T HA 0.057 4.409 4.350 0.003 0.000 0.269 528 T C 2.417 177.102 174.700 -0.025 0.000 1.054 528 T CA 1.660 63.773 62.100 0.022 0.000 1.135 528 T CB -0.577 68.317 68.868 0.043 0.000 0.869 528 T HN 0.259 nan 8.240 nan 0.000 0.466 529 G N 1.054 109.819 108.800 -0.058 0.000 2.402 529 G HA2 -0.087 3.875 3.960 0.003 0.000 0.216 529 G HA3 -0.087 3.875 3.960 0.003 0.000 0.216 529 G C 1.645 176.565 174.900 0.033 0.000 1.162 529 G CA 0.822 45.887 45.100 -0.059 0.000 0.777 529 G HN 0.479 nan 8.290 nan 0.000 0.539 530 V N 1.318 121.229 119.914 -0.005 0.000 2.295 530 V HA -0.267 3.855 4.120 0.003 0.000 0.246 530 V C 2.702 178.800 176.094 0.007 0.000 1.049 530 V CA 2.265 64.572 62.300 0.010 0.000 1.024 530 V CB -0.537 31.284 31.823 -0.004 0.000 0.648 530 V HN 0.517 nan 8.190 nan 0.000 0.447 531 M N -0.160 119.431 119.600 -0.015 0.000 2.073 531 M HA -0.253 4.229 4.480 0.003 0.000 0.258 531 M C 2.467 178.656 176.300 -0.184 0.000 1.070 531 M CA 2.095 57.381 55.300 -0.023 0.000 1.103 531 M CB -0.412 32.219 32.600 0.051 0.000 1.321 531 M HN 0.156 nan 8.290 nan 0.000 0.405 532 R N -0.592 119.664 120.500 -0.408 0.000 2.091 532 R HA -0.203 4.139 4.340 0.003 0.000 0.238 532 R C 1.688 177.554 176.300 -0.724 0.000 1.136 532 R CA 2.435 57.894 56.100 -1.067 0.000 0.959 532 R CB -0.759 28.869 30.300 -1.121 0.000 0.856 532 R HN 0.612 nan 8.270 nan 0.000 0.437 533 H N -0.672 118.228 119.070 -0.282 0.000 2.436 533 H HA 0.134 4.692 4.556 0.003 0.000 0.294 533 H C 1.860 177.231 175.328 0.072 0.000 1.048 533 H CA 1.237 57.253 56.048 -0.053 0.000 1.353 533 H CB 0.002 29.711 29.762 -0.089 0.000 1.414 533 H HN 0.361 nan 8.280 nan 0.000 0.536 534 A N 0.560 123.434 122.820 0.090 0.000 1.933 534 A HA -0.234 4.088 4.320 0.003 0.000 0.218 534 A C 1.944 179.544 177.584 0.027 0.000 1.175 534 A CA 1.989 54.066 52.037 0.067 0.000 0.628 534 A CB -0.547 18.478 19.000 0.041 0.000 0.814 534 A HN 0.499 nan 8.150 nan 0.000 0.444 535 D N -0.306 120.079 120.400 -0.024 0.000 2.144 535 D HA -0.020 4.622 4.640 0.003 0.000 0.199 535 D C 1.866 178.168 176.300 0.003 0.000 0.984 535 D CA 1.325 55.335 54.000 0.016 0.000 0.834 535 D CB -0.136 40.706 40.800 0.070 0.000 0.955 535 D HN 0.361 nan 8.370 nan 0.000 0.465 536 A N -0.774 122.023 122.820 -0.039 0.000 2.168 536 A HA 0.329 4.650 4.320 0.003 0.000 0.215 536 A C 1.850 179.330 177.584 -0.174 0.000 1.152 536 A CA 1.199 53.197 52.037 -0.066 0.000 0.716 536 A CB -0.505 18.490 19.000 -0.009 0.000 0.794 536 A HN 0.513 nan 8.150 nan 0.000 0.465 537 G N -2.723 106.014 108.800 -0.104 0.000 2.134 537 G HA2 -0.235 3.727 3.960 0.003 0.000 0.209 537 G HA3 -0.235 3.727 3.960 0.003 0.000 0.209 537 G C -0.184 174.614 174.900 -0.169 0.000 0.993 537 G CA -0.054 44.966 45.100 -0.133 0.000 0.669 537 G HN 0.366 nan 8.290 nan 0.000 0.519 538 Y N 1.603 121.905 120.300 0.002 0.000 2.537 538 Y HA 0.281 4.832 4.550 0.003 0.000 0.339 538 Y C 1.647 177.547 175.900 -0.002 0.000 1.066 538 Y CA 0.026 58.130 58.100 0.006 0.000 1.357 538 Y CB 0.690 39.168 38.460 0.030 0.000 1.175 538 Y HN 0.083 nan 8.280 nan 0.000 0.525 539 D N 2.591 123.060 120.400 0.114 0.000 2.133 539 D HA -0.222 4.420 4.640 0.003 0.000 0.195 539 D C 2.076 178.413 176.300 0.062 0.000 0.997 539 D CA 1.598 55.636 54.000 0.062 0.000 0.840 539 D CB 0.032 40.853 40.800 0.035 0.000 0.947 539 D HN 0.642 nan 8.370 nan 0.000 0.452 540 I N 0.979 121.592 120.570 0.072 0.000 2.151 540 I HA -0.309 3.863 4.170 0.003 0.000 0.243 540 I C 2.457 178.592 176.117 0.030 0.000 1.080 540 I CA 1.316 62.635 61.300 0.032 0.000 1.339 540 I CB -0.243 37.757 38.000 -0.000 0.000 1.039 540 I HN -0.050 nan 8.210 nan 0.000 0.409 541 A N 0.801 123.657 122.820 0.061 0.000 1.898 541 A HA -0.130 4.191 4.320 0.003 0.000 0.216 541 A C 2.291 179.903 177.584 0.047 0.000 1.181 541 A CA 1.342 53.411 52.037 0.053 0.000 0.620 541 A CB -0.750 18.315 19.000 0.108 0.000 0.819 541 A HN 0.365 nan 8.150 nan 0.000 0.442 542 I N 0.018 120.621 120.570 0.055 0.000 2.179 542 I HA -0.257 3.915 4.170 0.003 0.000 0.242 542 I C 1.917 178.048 176.117 0.023 0.000 1.088 542 I CA 1.578 62.900 61.300 0.036 0.000 1.357 542 I CB -0.436 37.583 38.000 0.032 0.000 1.051 542 I HN 0.235 nan 8.210 nan 0.000 0.409 543 D N 0.088 120.500 120.400 0.021 0.000 2.117 543 D HA -0.215 4.426 4.640 0.003 0.000 0.197 543 D C 2.208 178.513 176.300 0.007 0.000 0.987 543 D CA 1.235 55.242 54.000 0.011 0.000 0.829 543 D CB -0.663 40.143 40.800 0.009 0.000 0.961 543 D HN 0.407 nan 8.370 nan 0.000 0.460 544 C N 1.043 120.347 119.300 0.007 0.000 2.413 544 C HA -0.065 4.397 4.460 0.003 0.000 0.276 544 C C 2.877 177.868 174.990 0.002 0.000 1.248 544 C CA 1.454 60.473 59.018 0.001 0.000 1.742 544 C CB -1.093 26.645 27.740 -0.003 0.000 2.017 544 C HN 0.338 nan 8.230 nan 0.000 0.481 545 A N 0.388 123.212 122.820 0.008 0.000 1.883 545 A HA -0.214 4.108 4.320 0.003 0.000 0.217 545 A C 2.218 179.806 177.584 0.006 0.000 1.186 545 A CA 2.091 54.133 52.037 0.008 0.000 0.624 545 A CB -0.635 18.374 19.000 0.016 0.000 0.822 545 A HN 0.777 nan 8.150 nan 0.000 0.444 546 K N -0.708 119.697 120.400 0.007 0.000 2.057 546 K HA -0.165 4.157 4.320 0.003 0.000 0.206 546 K C 2.183 178.784 176.600 0.001 0.000 1.050 546 K CA 1.422 57.712 56.287 0.005 0.000 0.935 546 K CB -0.172 32.331 32.500 0.005 0.000 0.715 546 K HN 0.707 nan 8.250 nan 0.000 0.439 547 E N 0.855 121.055 120.200 -0.000 0.000 2.085 547 E HA -0.217 4.135 4.350 0.003 0.000 0.194 547 E C 1.659 178.256 176.600 -0.006 0.000 0.994 547 E CA 1.111 57.509 56.400 -0.003 0.000 0.801 547 E CB 0.246 29.944 29.700 -0.004 0.000 0.743 547 E HN 0.208 nan 8.360 nan 0.000 0.453 548 Q N -0.744 119.052 119.800 -0.006 0.000 2.403 548 Q HA 0.068 4.410 4.340 0.003 0.000 0.203 548 Q C 0.832 176.828 176.000 -0.007 0.000 0.932 548 Q CA 0.748 56.545 55.803 -0.009 0.000 0.945 548 Q CB 1.032 29.762 28.738 -0.012 0.000 1.045 548 Q HN 0.478 nan 8.270 nan 0.000 0.511 549 G N 1.677 110.475 108.800 -0.003 0.000 2.273 549 G HA2 -0.270 3.692 3.960 0.003 0.000 0.280 549 G HA3 -0.270 3.692 3.960 0.003 0.000 0.280 549 G C 0.051 174.951 174.900 0.001 0.000 1.047 549 G CA 0.019 45.118 45.100 -0.001 0.000 0.869 549 G HN 0.287 nan 8.290 nan 0.000 0.502 550 L N 0.021 121.245 121.223 0.003 0.000 2.456 550 L HA 0.234 4.576 4.340 0.003 0.000 0.272 550 L C 0.516 177.393 176.870 0.011 0.000 1.189 550 L CA -0.256 54.589 54.840 0.007 0.000 0.846 550 L CB 0.629 42.694 42.059 0.010 0.000 1.111 550 L HN 0.147 nan 8.230 nan 0.000 0.475 551 D N 4.588 124.996 120.400 0.014 0.000 2.456 551 D HA 0.291 4.933 4.640 0.003 0.000 0.219 551 D C -0.715 175.600 176.300 0.024 0.000 1.126 551 D CA -0.158 53.851 54.000 0.016 0.000 0.890 551 D CB 0.336 41.143 40.800 0.013 0.000 1.025 551 D HN 0.259 nan 8.370 nan 0.000 0.511 552 L N 5.700 126.938 121.223 0.026 0.000 2.356 552 L HA 0.303 4.645 4.340 0.003 0.000 0.264 552 L C -1.550 175.340 176.870 0.033 0.000 1.029 552 L CA -1.867 52.995 54.840 0.038 0.000 0.897 552 L CB 1.792 43.876 42.059 0.041 0.000 1.256 552 L HN 0.072 nan 8.230 nan 0.000 0.444 553 P HA -0.192 nan 4.420 nan 0.000 0.216 553 P C 1.600 178.914 177.300 0.022 0.000 1.154 553 P CA 1.499 64.613 63.100 0.022 0.000 0.865 553 P CB 0.194 31.906 31.700 0.020 0.000 0.789 554 M N -2.611 117.007 119.600 0.031 0.000 2.595 554 M HA 0.063 4.545 4.480 0.003 0.000 0.248 554 M C 1.756 178.071 176.300 0.025 0.000 1.119 554 M CA 0.995 56.312 55.300 0.028 0.000 1.079 554 M CB -0.757 31.865 32.600 0.037 0.000 1.472 554 M HN 0.055 nan 8.290 nan 0.000 0.501 555 I N -1.016 119.570 120.570 0.026 0.000 3.345 555 I HA -0.058 4.113 4.170 0.003 0.000 0.258 555 I C 2.023 178.149 176.117 0.016 0.000 1.134 555 I CA 0.926 62.239 61.300 0.021 0.000 1.457 555 I CB -0.133 37.882 38.000 0.026 0.000 1.425 555 I HN 0.169 nan 8.210 nan 0.000 0.461 556 T N -1.202 113.362 114.554 0.017 0.000 3.107 556 T HA 0.521 4.873 4.350 0.003 0.000 0.249 556 T C 0.873 175.579 174.700 0.010 0.000 1.096 556 T CA 0.279 62.387 62.100 0.012 0.000 1.012 556 T CB 0.070 68.945 68.868 0.013 0.000 0.977 556 T HN 0.579 nan 8.240 nan 0.000 0.527 557 G N 0.000 108.807 108.800 0.011 0.000 5.446 557 G HA2 0.000 3.962 3.960 0.003 0.000 0.244 557 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 557 G CA 0.000 45.105 45.100 0.009 0.000 0.502 557 G HN 0.000 nan 8.290 nan 0.000 0.925