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 3fcp_1_D DATA FIRST_RESID 5 DATA SEQUENCE ATVEQIESWI VDVPTIXXXX XXXXXXXCQS LVIVRLTRSD GICGIGEATT DATA SEQUENCE IGGLSYGVES PEAISSAITH YLTPLLKGQP ADNLNALTAR MNGAIKGNTF DATA SEQUENCE AKSAIETALL DAQGKALGLP VSALLGGALQ TALPVLWTLA SGDTAKDIAE DATA SEQUENCE GEKLLAXXXX RAFKLKIGAR ELATDLRHTR AIVEALGDRA SIRVDVNQAW DATA SEQUENCE DAATGAKGCR ELAAMGVDLI EQPVSAHDNA ALVRLSQQIE TAILADEAVA DATA SEQUENCE TAYDGYQLAQ QGFTGAYALK IAKAGGPNSV LALARVAQAA GIGLYGGTML DATA SEQUENCE EGTVGTVASL HAWSTLPLQW GTEMFGPLLL KDDIVSVPLT FADGQVALPQ DATA SEQUENCE TPGLGVELDE DKLHFYTRQ 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 A HA 0.000 nan 4.320 nan 0.000 0.244 5 A C 0.000 177.583 177.584 -0.002 0.000 1.274 5 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 5 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 6 T N -1.216 113.337 114.554 -0.002 0.000 2.949 6 T HA 0.734 5.084 4.350 0.000 0.000 0.287 6 T C -0.047 174.651 174.700 -0.002 0.000 1.034 6 T CA -0.307 61.791 62.100 -0.002 0.000 1.018 6 T CB 1.518 70.385 68.868 -0.002 0.000 1.135 6 T HN 1.914 nan 8.240 nan 0.000 0.532 7 V N 1.656 121.569 119.914 -0.003 0.000 2.405 7 V HA 0.269 4.389 4.120 0.000 0.000 0.264 7 V C 0.974 177.065 176.094 -0.005 0.000 1.048 7 V CA 0.137 62.435 62.300 -0.004 0.000 0.966 7 V CB -0.204 31.616 31.823 -0.004 0.000 1.015 7 V HN 0.998 nan 8.190 nan 0.000 0.477 8 E N 3.861 124.059 120.200 -0.004 0.000 2.122 8 E HA 0.040 4.391 4.350 0.000 0.000 0.190 8 E C 0.437 177.030 176.600 -0.010 0.000 0.977 8 E CA 0.441 56.838 56.400 -0.005 0.000 0.820 8 E CB 0.462 30.162 29.700 -0.001 0.000 0.770 8 E HN 0.779 nan 8.360 nan 0.000 0.462 9 Q N -0.262 119.532 119.800 -0.010 0.000 2.435 9 Q HA 0.452 4.792 4.340 0.000 0.000 0.282 9 Q C -1.942 174.042 176.000 -0.026 0.000 1.020 9 Q CA -0.379 55.412 55.803 -0.020 0.000 0.820 9 Q CB 1.819 30.549 28.738 -0.014 0.000 1.436 9 Q HN -0.007 nan 8.270 nan 0.000 0.395 10 I N 2.265 122.804 120.570 -0.052 0.000 2.512 10 I HA 0.419 4.589 4.170 0.000 0.000 0.287 10 I C -0.731 175.301 176.117 -0.141 0.000 1.069 10 I CA -0.515 60.743 61.300 -0.069 0.000 1.056 10 I CB 2.135 40.100 38.000 -0.057 0.000 1.229 10 I HN 0.560 nan 8.210 nan 0.000 0.429 11 E N 4.171 124.250 120.200 -0.203 0.000 2.244 11 E HA 0.706 5.056 4.350 0.000 0.000 0.266 11 E C -0.988 175.224 176.600 -0.646 0.000 0.914 11 E CA -0.726 55.387 56.400 -0.478 0.000 0.794 11 E CB 2.454 31.823 29.700 -0.553 0.000 1.210 11 E HN 0.605 nan 8.360 nan 0.000 0.414 12 S N 1.243 116.400 115.700 -0.905 0.000 2.537 12 S HA 0.615 5.085 4.470 0.000 0.000 0.270 12 S C -1.497 172.715 174.600 -0.646 0.000 1.142 12 S CA -0.996 56.862 58.200 -0.571 0.000 0.870 12 S CB 1.165 64.242 63.200 -0.205 0.000 1.112 12 S HN 0.529 nan 8.310 nan 0.000 0.466 13 W N 1.379 122.708 121.300 0.048 0.000 3.032 13 W HA 0.498 5.158 4.660 0.000 0.000 0.335 13 W C -1.066 175.485 176.519 0.053 0.000 1.154 13 W CA -1.061 56.317 57.345 0.055 0.000 1.204 13 W CB 1.740 31.238 29.460 0.063 0.000 1.416 13 W HN 0.587 nan 8.180 nan 0.000 0.521 14 I N 2.834 123.566 120.570 0.270 0.000 2.325 14 I HA 0.232 4.402 4.170 0.000 0.000 0.291 14 I C -0.175 176.052 176.117 0.183 0.000 1.019 14 I CA -0.636 60.771 61.300 0.179 0.000 1.302 14 I CB 1.080 39.153 38.000 0.120 0.000 1.401 14 I HN -0.106 nan 8.210 nan 0.000 0.485 15 V N 5.720 125.725 119.914 0.152 0.000 2.417 15 V HA 0.303 4.424 4.120 0.000 0.000 0.291 15 V C -0.492 175.652 176.094 0.083 0.000 1.024 15 V CA -0.750 61.626 62.300 0.128 0.000 0.861 15 V CB 1.852 33.741 31.823 0.109 0.000 0.985 15 V HN 0.573 nan 8.190 nan 0.000 0.436 16 D N 4.133 124.588 120.400 0.092 0.000 2.454 16 D HA 0.387 5.027 4.640 0.000 0.000 0.225 16 D C -0.179 176.130 176.300 0.015 0.000 1.081 16 D CA 0.014 54.048 54.000 0.056 0.000 0.864 16 D CB 2.138 42.979 40.800 0.067 0.000 1.040 16 D HN 0.457 nan 8.370 nan 0.000 0.517 17 V N 0.538 120.386 119.914 -0.110 0.000 2.612 17 V HA 0.646 4.766 4.120 0.000 0.000 0.301 17 V C -2.497 173.512 176.094 -0.142 0.000 1.046 17 V CA -2.241 59.865 62.300 -0.324 0.000 0.946 17 V CB 1.792 33.379 31.823 -0.394 0.000 1.003 17 V HN 0.211 nan 8.190 nan 0.000 0.459 18 P HA 0.272 nan 4.420 nan 0.000 0.275 18 P C -0.010 177.284 177.300 -0.010 0.000 1.227 18 P CA 0.235 63.334 63.100 -0.003 0.000 0.781 18 P CB 1.208 32.950 31.700 0.068 0.000 0.906 19 T N 0.206 114.769 114.554 0.016 0.000 2.880 19 T HA 0.581 4.931 4.350 0.000 0.000 0.279 19 T C 0.886 175.610 174.700 0.040 0.000 0.990 19 T CA -0.622 61.494 62.100 0.026 0.000 0.938 19 T CB 0.176 69.063 68.868 0.031 0.000 1.206 19 T HN 0.311 nan 8.240 nan 0.000 0.573 33 Q N 1.406 121.209 119.800 0.005 0.000 2.333 33 Q HA 0.702 5.042 4.340 0.000 0.000 0.267 33 Q C -0.888 175.119 176.000 0.013 0.000 1.012 33 Q CA 0.155 55.964 55.803 0.010 0.000 0.824 33 Q CB 1.620 30.358 28.738 -0.000 0.000 1.290 33 Q HN 0.737 nan 8.270 nan 0.000 0.449 34 S N 4.657 120.376 115.700 0.031 0.000 2.422 34 S HA 0.575 5.045 4.470 0.000 0.000 0.298 34 S C -0.553 174.080 174.600 0.055 0.000 1.118 34 S CA -0.633 57.593 58.200 0.044 0.000 1.083 34 S CB 0.039 63.269 63.200 0.050 0.000 0.971 34 S HN 0.576 nan 8.310 nan 0.000 0.478 35 L N 2.475 123.733 121.223 0.059 0.000 2.334 35 L HA 0.701 5.041 4.340 0.000 0.000 0.273 35 L C -0.650 176.282 176.870 0.104 0.000 1.013 35 L CA -1.189 53.695 54.840 0.073 0.000 0.816 35 L CB 1.260 43.351 42.059 0.053 0.000 1.278 35 L HN 0.232 nan 8.230 nan 0.000 0.431 36 V N 3.917 123.900 119.914 0.115 0.000 2.313 36 V HA 0.359 4.479 4.120 0.000 0.000 0.278 36 V C 0.140 176.323 176.094 0.149 0.000 1.017 36 V CA -0.358 62.023 62.300 0.135 0.000 0.823 36 V CB 1.390 33.284 31.823 0.119 0.000 1.010 36 V HN 0.415 nan 8.190 nan 0.000 0.443 37 I N 5.481 126.181 120.570 0.218 0.000 2.428 37 I HA 0.517 4.687 4.170 0.000 0.000 0.296 37 I C 0.054 176.359 176.117 0.313 0.000 0.985 37 I CA -0.413 61.041 61.300 0.258 0.000 1.260 37 I CB 1.800 39.972 38.000 0.286 0.000 1.389 37 I HN 0.228 nan 8.210 nan 0.000 0.484 38 V N 6.640 126.691 119.914 0.229 0.000 2.735 38 V HA 0.550 4.670 4.120 0.000 0.000 0.310 38 V C -0.078 176.138 176.094 0.204 0.000 1.061 38 V CA -0.878 61.516 62.300 0.157 0.000 0.913 38 V CB 2.775 34.639 31.823 0.069 0.000 1.005 38 V HN 0.740 nan 8.190 nan 0.000 0.428 39 R N 4.021 124.628 120.500 0.177 0.000 2.502 39 R HA 0.674 5.014 4.340 0.000 0.000 0.300 39 R C -1.992 174.353 176.300 0.076 0.000 0.984 39 R CA -0.581 55.630 56.100 0.185 0.000 0.882 39 R CB 1.637 32.148 30.300 0.353 0.000 1.180 39 R HN 0.728 nan 8.270 nan 0.000 0.444 40 L N 3.864 125.119 121.223 0.054 0.000 2.313 40 L HA 0.533 4.873 4.340 0.000 0.000 0.283 40 L C -1.126 175.760 176.870 0.027 0.000 1.013 40 L CA -0.267 54.588 54.840 0.024 0.000 0.816 40 L CB 2.213 44.279 42.059 0.012 0.000 1.236 40 L HN 0.661 nan 8.230 nan 0.000 0.419 41 T N 4.502 119.068 114.554 0.021 0.000 2.771 41 T HA 0.508 4.858 4.350 0.000 0.000 0.281 41 T C -0.116 174.590 174.700 0.010 0.000 0.982 41 T CA -0.530 61.583 62.100 0.021 0.000 0.978 41 T CB 1.119 70.003 68.868 0.028 0.000 0.930 41 T HN 0.570 nan 8.240 nan 0.000 0.447 42 R N 1.146 121.651 120.500 0.008 0.000 2.543 42 R HA 0.350 4.690 4.340 0.000 0.000 0.268 42 R C 1.770 178.072 176.300 0.004 0.000 1.067 42 R CA -0.456 55.646 56.100 0.004 0.000 1.142 42 R CB 0.501 30.802 30.300 0.001 0.000 1.110 42 R HN 0.751 nan 8.270 nan 0.000 0.549 43 S N -0.070 115.632 115.700 0.002 0.000 2.469 43 S HA -0.151 4.319 4.470 0.000 0.000 0.238 43 S C 0.887 175.489 174.600 0.003 0.000 0.998 43 S CA 1.390 59.591 58.200 0.002 0.000 0.957 43 S CB -0.288 62.912 63.200 0.000 0.000 0.764 43 S HN 0.764 nan 8.310 nan 0.000 0.514 44 D N 0.080 120.481 120.400 0.002 0.000 2.336 44 D HA 0.317 4.958 4.640 0.000 0.000 0.228 44 D C 1.347 177.650 176.300 0.004 0.000 1.120 44 D CA 0.342 54.343 54.000 0.002 0.000 0.839 44 D CB -0.622 40.179 40.800 0.000 0.000 0.932 44 D HN 0.491 nan 8.370 nan 0.000 0.509 45 G N 0.256 109.060 108.800 0.007 0.000 2.212 45 G HA2 -0.301 3.659 3.960 0.000 0.000 0.266 45 G HA3 -0.301 3.659 3.960 0.000 0.000 0.266 45 G C 0.225 175.131 174.900 0.011 0.000 0.978 45 G CA 0.266 45.372 45.100 0.010 0.000 0.632 45 G HN 0.468 nan 8.290 nan 0.000 0.537 46 I N 1.408 121.982 120.570 0.008 0.000 2.519 46 I HA 0.467 4.637 4.170 0.000 0.000 0.287 46 I C 1.251 177.374 176.117 0.010 0.000 1.047 46 I CA -0.343 60.961 61.300 0.006 0.000 1.381 46 I CB 1.080 39.080 38.000 0.000 0.000 1.417 46 I HN 0.454 nan 8.210 nan 0.000 0.540 47 C N 3.065 122.373 119.300 0.014 0.000 2.707 47 C HA 0.981 5.441 4.460 0.000 0.000 0.313 47 C C 0.033 175.033 174.990 0.016 0.000 1.209 47 C CA -0.448 58.583 59.018 0.022 0.000 1.635 47 C CB 0.737 28.500 27.740 0.039 0.000 2.206 47 C HN 0.928 nan 8.230 nan 0.000 0.485 48 G N 1.460 110.271 108.800 0.020 0.000 2.563 48 G HA2 0.783 4.743 3.960 0.000 0.000 0.302 48 G HA3 0.783 4.743 3.960 0.000 0.000 0.302 48 G C -1.072 173.847 174.900 0.032 0.000 1.301 48 G CA -0.845 44.262 45.100 0.011 0.000 0.965 48 G HN 1.433 nan 8.290 nan 0.000 0.480 49 I N -1.018 119.568 120.570 0.027 0.000 2.846 49 I HA 0.997 5.167 4.170 0.000 0.000 0.307 49 I C 0.175 176.311 176.117 0.031 0.000 1.053 49 I CA -1.192 60.139 61.300 0.052 0.000 1.050 49 I CB 2.538 40.571 38.000 0.055 0.000 1.239 49 I HN 0.744 nan 8.210 nan 0.000 0.439 50 G N 2.240 111.070 108.800 0.050 0.000 2.695 50 G HA2 0.589 4.549 3.960 0.000 0.000 0.290 50 G HA3 0.589 4.549 3.960 0.000 0.000 0.290 50 G C -2.163 172.766 174.900 0.048 0.000 1.410 50 G CA -0.547 44.569 45.100 0.028 0.000 0.844 50 G HN 0.869 nan 8.290 nan 0.000 0.478 51 E N -0.761 119.456 120.200 0.027 0.000 2.290 51 E HA 0.600 4.950 4.350 0.000 0.000 0.274 51 E C -1.184 175.436 176.600 0.033 0.000 0.889 51 E CA -1.007 55.418 56.400 0.042 0.000 0.760 51 E CB 2.059 31.775 29.700 0.028 0.000 1.206 51 E HN 0.801 nan 8.360 nan 0.000 0.419 52 A N 3.309 126.173 122.820 0.074 0.000 2.340 52 A HA 0.623 4.943 4.320 0.000 0.000 0.297 52 A C -0.848 176.834 177.584 0.164 0.000 1.195 52 A CA -0.403 51.703 52.037 0.114 0.000 0.769 52 A CB 1.562 20.660 19.000 0.163 0.000 1.163 52 A HN 0.464 nan 8.150 nan 0.000 0.472 53 T N 1.087 115.742 114.554 0.169 0.000 2.906 53 T HA 0.770 5.120 4.350 0.000 0.000 0.295 53 T C -0.119 174.749 174.700 0.280 0.000 1.061 53 T CA -0.327 61.877 62.100 0.173 0.000 1.000 53 T CB 1.940 70.858 68.868 0.083 0.000 1.103 53 T HN 0.745 nan 8.240 nan 0.000 0.486 54 T N 0.762 115.448 114.554 0.220 0.000 2.669 54 T HA 0.803 5.153 4.350 0.000 0.000 0.283 54 T C -1.519 173.253 174.700 0.119 0.000 1.019 54 T CA -0.657 61.583 62.100 0.234 0.000 1.039 54 T CB 0.799 69.745 68.868 0.129 0.000 1.374 54 T HN 0.477 nan 8.240 nan 0.000 0.523 55 I N 0.968 121.608 120.570 0.118 0.000 2.509 55 I HA 0.535 4.705 4.170 0.000 0.000 0.293 55 I C 1.034 177.299 176.117 0.247 0.000 1.020 55 I CA -0.617 60.738 61.300 0.092 0.000 1.088 55 I CB 1.833 39.778 38.000 -0.092 0.000 1.267 55 I HN 0.961 nan 8.210 nan 0.000 0.430 56 G N 4.228 113.149 108.800 0.201 0.000 2.323 56 G HA2 -0.069 3.892 3.960 0.000 0.000 0.292 56 G HA3 -0.069 3.892 3.960 0.000 0.000 0.292 56 G C 0.919 175.878 174.900 0.098 0.000 1.040 56 G CA 0.727 45.949 45.100 0.202 0.000 0.942 56 G HN 1.529 nan 8.290 nan 0.000 0.506 57 G N -0.632 108.204 108.800 0.061 0.000 3.099 57 G HA2 -0.347 3.613 3.960 0.000 0.000 0.331 57 G HA3 -0.347 3.613 3.960 0.000 0.000 0.331 57 G C 0.961 175.848 174.900 -0.021 0.000 1.216 57 G CA 0.939 46.046 45.100 0.011 0.000 0.977 57 G HN 1.387 nan 8.290 nan 0.000 0.600 58 L N 1.184 122.379 121.223 -0.045 0.000 3.069 58 L HA 0.305 4.645 4.340 0.000 0.000 0.271 58 L C 2.167 178.967 176.870 -0.118 0.000 1.201 58 L CA 0.668 55.462 54.840 -0.078 0.000 1.015 58 L CB 0.941 42.955 42.059 -0.075 0.000 1.371 58 L HN 0.381 nan 8.230 nan 0.000 0.574 59 S N -0.587 115.017 115.700 -0.161 0.000 2.489 59 S HA -0.008 4.463 4.470 0.000 0.000 0.228 59 S C 1.143 175.351 174.600 -0.655 0.000 0.995 59 S CA 0.992 58.955 58.200 -0.394 0.000 0.934 59 S CB 0.026 62.937 63.200 -0.482 0.000 0.771 59 S HN 0.437 nan 8.310 nan 0.000 0.522 60 Y N 0.113 120.390 120.300 -0.038 0.000 2.423 60 Y HA 0.456 5.006 4.550 0.000 0.000 0.257 60 Y C 1.185 177.062 175.900 -0.037 0.000 1.087 60 Y CA -0.289 57.792 58.100 -0.030 0.000 1.258 60 Y CB 0.530 38.984 38.460 -0.009 0.000 1.237 60 Y HN 0.214 nan 8.280 nan 0.000 0.517 61 G N -0.603 108.213 108.800 0.028 0.000 2.725 61 G HA2 0.434 4.394 3.960 0.000 0.000 0.288 61 G HA3 0.434 4.394 3.960 0.000 0.000 0.288 61 G C 0.005 174.828 174.900 -0.128 0.000 1.399 61 G CA -0.100 44.965 45.100 -0.057 0.000 0.859 61 G HN -0.012 nan 8.290 nan 0.000 0.479 62 V N -2.857 116.966 119.914 -0.151 0.000 3.541 62 V HA 0.356 4.476 4.120 0.000 0.000 0.267 62 V C 0.356 176.339 176.094 -0.185 0.000 1.213 62 V CA 0.560 62.781 62.300 -0.131 0.000 1.149 62 V CB -0.602 31.171 31.823 -0.083 0.000 0.822 62 V HN 0.506 nan 8.190 nan 0.000 0.462 63 E N 2.348 122.349 120.200 -0.333 0.000 2.114 63 E HA 0.477 4.827 4.350 0.000 0.000 0.266 63 E C -0.070 176.332 176.600 -0.331 0.000 0.896 63 E CA -0.080 56.100 56.400 -0.367 0.000 0.750 63 E CB 1.564 30.922 29.700 -0.569 0.000 1.121 63 E HN 0.660 nan 8.360 nan 0.000 0.413 64 S N 2.223 117.820 115.700 -0.171 0.000 2.652 64 S HA 0.293 4.763 4.470 0.000 0.000 0.270 64 S C -1.914 172.650 174.600 -0.059 0.000 1.243 64 S CA -1.296 56.843 58.200 -0.102 0.000 0.999 64 S CB 1.474 64.637 63.200 -0.061 0.000 0.973 64 S HN 0.127 nan 8.310 nan 0.000 0.544 65 P HA -0.139 nan 4.420 nan 0.000 0.216 65 P C 1.450 178.766 177.300 0.027 0.000 1.150 65 P CA 1.227 64.342 63.100 0.025 0.000 0.837 65 P CB -0.010 31.714 31.700 0.040 0.000 0.786 66 E N -0.114 120.094 120.200 0.014 0.000 2.107 66 E HA -0.101 4.249 4.350 0.000 0.000 0.191 66 E C 1.962 178.569 176.600 0.011 0.000 0.982 66 E CA 1.477 57.886 56.400 0.016 0.000 0.809 66 E CB -1.333 28.372 29.700 0.007 0.000 0.756 66 E HN 0.169 nan 8.360 nan 0.000 0.459 67 A N 1.578 124.394 122.820 -0.007 0.000 1.968 67 A HA 0.007 4.327 4.320 0.000 0.000 0.217 67 A C 2.366 179.960 177.584 0.016 0.000 1.169 67 A CA 0.753 52.785 52.037 -0.008 0.000 0.638 67 A CB -0.584 18.393 19.000 -0.039 0.000 0.812 67 A HN 0.179 nan 8.150 nan 0.000 0.446 68 I N -0.861 119.719 120.570 0.017 0.000 2.252 68 I HA -0.199 3.972 4.170 0.000 0.000 0.245 68 I C 2.832 178.992 176.117 0.071 0.000 1.102 68 I CA 1.444 62.776 61.300 0.054 0.000 1.385 68 I CB -0.223 37.822 38.000 0.076 0.000 1.064 68 I HN 0.405 nan 8.210 nan 0.000 0.414 69 S N -0.048 115.689 115.700 0.061 0.000 2.356 69 S HA -0.236 4.235 4.470 0.000 0.000 0.223 69 S C 2.307 176.955 174.600 0.079 0.000 1.032 69 S CA 2.051 60.287 58.200 0.059 0.000 1.005 69 S CB -0.346 62.886 63.200 0.052 0.000 0.867 69 S HN 0.476 nan 8.310 nan 0.000 0.449 70 S N 0.969 116.719 115.700 0.083 0.000 2.359 70 S HA -0.094 4.376 4.470 0.000 0.000 0.224 70 S C 2.116 176.836 174.600 0.199 0.000 1.035 70 S CA 1.680 59.950 58.200 0.116 0.000 1.018 70 S CB -0.937 62.279 63.200 0.027 0.000 0.876 70 S HN 0.708 nan 8.310 nan 0.000 0.448 71 A N 1.308 124.238 122.820 0.184 0.000 1.908 71 A HA -0.036 4.285 4.320 0.000 0.000 0.218 71 A C 2.175 179.890 177.584 0.219 0.000 1.181 71 A CA 1.709 53.897 52.037 0.252 0.000 0.627 71 A CB -0.827 18.253 19.000 0.133 0.000 0.818 71 A HN 0.657 nan 8.150 nan 0.000 0.445 72 I N -0.832 119.816 120.570 0.129 0.000 2.163 72 I HA -0.210 3.960 4.170 0.000 0.000 0.240 72 I C 2.669 178.809 176.117 0.039 0.000 1.081 72 I CA 1.801 63.145 61.300 0.074 0.000 1.353 72 I CB -0.784 37.237 38.000 0.036 0.000 1.054 72 I HN 0.263 nan 8.210 nan 0.000 0.407 73 T N -0.784 113.790 114.554 0.034 0.000 2.674 73 T HA -0.209 4.141 4.350 0.000 0.000 0.265 73 T C 1.812 176.430 174.700 -0.136 0.000 1.039 73 T CA 1.696 63.767 62.100 -0.049 0.000 1.150 73 T CB -0.412 68.444 68.868 -0.021 0.000 0.864 73 T HN 0.358 nan 8.240 nan 0.000 0.427 74 H N -1.010 117.963 119.070 -0.162 0.000 2.535 74 H HA 0.199 4.755 4.556 0.000 0.000 0.273 74 H C 1.096 176.040 175.328 -0.641 0.000 0.983 74 H CA 0.777 56.581 56.048 -0.408 0.000 1.238 74 H CB 0.122 29.556 29.762 -0.546 0.000 1.412 74 H HN 0.426 nan 8.280 nan 0.000 0.562 75 Y N -1.599 118.754 120.300 0.088 0.000 2.817 75 Y HA 0.162 4.712 4.550 0.000 0.000 0.257 75 Y C 1.940 177.852 175.900 0.020 0.000 1.055 75 Y CA -0.152 57.976 58.100 0.048 0.000 1.319 75 Y CB -0.170 38.319 38.460 0.048 0.000 1.481 75 Y HN -0.087 nan 8.280 nan 0.000 0.471 76 L N -0.314 121.015 121.223 0.177 0.000 2.083 76 L HA -0.186 4.154 4.340 0.000 0.000 0.209 76 L C 2.137 179.031 176.870 0.040 0.000 1.083 76 L CA 1.796 56.693 54.840 0.094 0.000 0.752 76 L CB -0.717 41.389 42.059 0.078 0.000 0.899 76 L HN 0.277 nan 8.230 nan 0.000 0.433 77 T N 0.325 114.884 114.554 0.009 0.000 2.643 77 T HA -0.094 4.256 4.350 0.000 0.000 0.264 77 T C -0.487 174.195 174.700 -0.031 0.000 1.045 77 T CA 1.743 63.825 62.100 -0.029 0.000 1.155 77 T CB -1.100 67.727 68.868 -0.069 0.000 0.863 77 T HN 0.303 nan 8.240 nan 0.000 0.420 78 P HA -0.005 nan 4.420 nan 0.000 0.221 78 P C 1.741 179.037 177.300 -0.006 0.000 1.150 78 P CA 0.677 63.755 63.100 -0.037 0.000 0.800 78 P CB -0.158 31.507 31.700 -0.059 0.000 0.787 79 L N -0.456 120.778 121.223 0.018 0.000 2.072 79 L HA -0.045 4.296 4.340 0.000 0.000 0.205 79 L C 2.192 179.072 176.870 0.018 0.000 1.079 79 L CA 1.653 56.511 54.840 0.030 0.000 0.752 79 L CB -1.087 41.007 42.059 0.058 0.000 0.906 79 L HN -0.041 nan 8.230 nan 0.000 0.436 80 L N -0.500 120.730 121.223 0.012 0.000 2.298 80 L HA 0.026 4.366 4.340 0.000 0.000 0.209 80 L C 1.060 177.929 176.870 -0.002 0.000 1.084 80 L CA -0.019 54.825 54.840 0.007 0.000 0.816 80 L CB -0.200 41.864 42.059 0.007 0.000 0.967 80 L HN 0.063 nan 8.230 nan 0.000 0.460 81 K N 1.110 121.504 120.400 -0.009 0.000 2.511 81 K HA 0.094 4.415 4.320 0.000 0.000 0.280 81 K C 1.034 177.629 176.600 -0.009 0.000 1.008 81 K CA 0.904 57.183 56.287 -0.013 0.000 1.050 81 K CB 0.315 32.801 32.500 -0.022 0.000 0.889 81 K HN 0.326 nan 8.250 nan 0.000 0.484 82 G N 1.810 110.606 108.800 -0.007 0.000 2.213 82 G HA2 -0.215 3.746 3.960 0.000 0.000 0.236 82 G HA3 -0.215 3.746 3.960 0.000 0.000 0.236 82 G C -0.004 174.894 174.900 -0.003 0.000 0.991 82 G CA -0.312 44.785 45.100 -0.005 0.000 0.629 82 G HN 0.518 nan 8.290 nan 0.000 0.517 83 Q N 0.894 120.693 119.800 -0.002 0.000 2.306 83 Q HA 0.411 4.751 4.340 0.000 0.000 0.241 83 Q C -2.483 173.517 176.000 -0.001 0.000 0.948 83 Q CA -1.828 53.976 55.803 0.000 0.000 0.886 83 Q CB 0.672 29.411 28.738 0.002 0.000 1.227 83 Q HN 0.190 nan 8.270 nan 0.000 0.457 84 P HA -0.005 nan 4.420 nan 0.000 0.267 84 P C -0.336 176.963 177.300 -0.002 0.000 1.209 84 P CA 0.383 63.483 63.100 -0.001 0.000 0.763 84 P CB 0.558 32.258 31.700 -0.001 0.000 0.816 85 A N 3.193 126.011 122.820 -0.003 0.000 2.169 85 A HA -0.052 4.269 4.320 0.000 0.000 0.212 85 A C 1.089 178.669 177.584 -0.007 0.000 1.153 85 A CA 1.177 53.212 52.037 -0.005 0.000 0.756 85 A CB -0.595 18.402 19.000 -0.005 0.000 0.813 85 A HN 0.451 nan 8.150 nan 0.000 0.471 86 D N -0.605 119.791 120.400 -0.007 0.000 2.349 86 D HA 0.018 4.658 4.640 0.000 0.000 0.214 86 D C 0.415 176.711 176.300 -0.008 0.000 1.063 86 D CA 0.012 54.007 54.000 -0.009 0.000 0.847 86 D CB 0.170 40.965 40.800 -0.008 0.000 0.933 86 D HN 0.191 nan 8.370 nan 0.000 0.513 87 N N 1.636 120.333 118.700 -0.005 0.000 2.949 87 N HA 0.039 4.779 4.740 0.000 0.000 0.243 87 N C 0.745 176.253 175.510 -0.003 0.000 1.113 87 N CA -0.190 52.858 53.050 -0.004 0.000 0.980 87 N CB 0.674 39.160 38.487 -0.001 0.000 1.256 87 N HN 0.045 nan 8.380 nan 0.000 0.508 88 L N 3.357 124.576 121.223 -0.006 0.000 2.042 88 L HA -0.118 4.222 4.340 0.000 0.000 0.210 88 L C 1.608 178.477 176.870 -0.002 0.000 1.076 88 L CA 1.668 56.504 54.840 -0.006 0.000 0.749 88 L CB -0.484 41.568 42.059 -0.011 0.000 0.893 88 L HN 0.428 nan 8.230 nan 0.000 0.432 89 N N -0.117 118.583 118.700 -0.001 0.000 2.084 89 N HA -0.143 4.597 4.740 0.000 0.000 0.190 89 N C 1.814 177.328 175.510 0.006 0.000 1.030 89 N CA 1.640 54.692 53.050 0.003 0.000 0.849 89 N CB -0.462 38.026 38.487 0.002 0.000 1.012 89 N HN 0.498 nan 8.380 nan 0.000 0.423 90 A N 1.183 124.006 122.820 0.005 0.000 1.898 90 A HA -0.025 4.296 4.320 0.000 0.000 0.216 90 A C 2.423 180.012 177.584 0.008 0.000 1.181 90 A CA 0.866 52.906 52.037 0.006 0.000 0.620 90 A CB -0.724 18.278 19.000 0.005 0.000 0.819 90 A HN 0.201 nan 8.150 nan 0.000 0.442 91 L N -0.761 120.466 121.223 0.007 0.000 2.046 91 L HA -0.155 4.185 4.340 0.000 0.000 0.208 91 L C 2.766 179.644 176.870 0.012 0.000 1.077 91 L CA 1.738 56.583 54.840 0.008 0.000 0.747 91 L CB -0.824 41.238 42.059 0.005 0.000 0.896 91 L HN 0.331 nan 8.230 nan 0.000 0.432 92 T N -0.226 114.334 114.554 0.011 0.000 2.777 92 T HA -0.137 4.213 4.350 0.000 0.000 0.266 92 T C 1.997 176.710 174.700 0.022 0.000 1.040 92 T CA 1.260 63.370 62.100 0.016 0.000 1.141 92 T CB -0.193 68.683 68.868 0.013 0.000 0.868 92 T HN 0.439 nan 8.240 nan 0.000 0.444 93 A N 1.493 124.325 122.820 0.020 0.000 1.930 93 A HA -0.059 4.261 4.320 0.000 0.000 0.217 93 A C 2.287 179.885 177.584 0.022 0.000 1.175 93 A CA 1.550 53.601 52.037 0.023 0.000 0.627 93 A CB -0.511 18.500 19.000 0.019 0.000 0.815 93 A HN 0.402 nan 8.150 nan 0.000 0.443 94 R N -0.839 119.672 120.500 0.019 0.000 2.066 94 R HA -0.070 4.270 4.340 0.000 0.000 0.232 94 R C 2.160 178.474 176.300 0.024 0.000 1.131 94 R CA 1.773 57.885 56.100 0.020 0.000 0.955 94 R CB -0.316 29.995 30.300 0.018 0.000 0.851 94 R HN 0.545 nan 8.270 nan 0.000 0.432 95 M N 0.553 120.168 119.600 0.025 0.000 2.086 95 M HA -0.167 4.313 4.480 0.000 0.000 0.261 95 M C 1.736 178.053 176.300 0.028 0.000 1.067 95 M CA 1.571 56.889 55.300 0.030 0.000 1.116 95 M CB -0.292 32.326 32.600 0.030 0.000 1.348 95 M HN 0.147 nan 8.290 nan 0.000 0.407 96 N N 0.137 118.855 118.700 0.030 0.000 2.354 96 N HA -0.026 4.714 4.740 0.000 0.000 0.179 96 N C 1.764 177.287 175.510 0.023 0.000 1.021 96 N CA 1.326 54.396 53.050 0.032 0.000 0.887 96 N CB -0.377 38.139 38.487 0.048 0.000 0.974 96 N HN 0.438 nan 8.380 nan 0.000 0.437 97 G N 0.280 109.093 108.800 0.021 0.000 2.403 97 G HA2 -0.047 3.914 3.960 0.000 0.000 0.216 97 G HA3 -0.047 3.914 3.960 0.000 0.000 0.216 97 G C 1.479 176.385 174.900 0.009 0.000 1.154 97 G CA 0.859 45.968 45.100 0.015 0.000 0.784 97 G HN 0.399 nan 8.290 nan 0.000 0.538 98 A N -0.489 122.340 122.820 0.014 0.000 2.095 98 A HA 0.469 4.789 4.320 0.000 0.000 0.212 98 A C 0.589 178.170 177.584 -0.006 0.000 1.162 98 A CA 0.369 52.414 52.037 0.013 0.000 0.753 98 A CB 0.255 19.275 19.000 0.033 0.000 0.840 98 A HN 0.199 nan 8.150 nan 0.000 0.468 99 I N 1.044 121.608 120.570 -0.009 0.000 2.418 99 I HA 0.342 4.512 4.170 0.000 0.000 0.287 99 I C -0.891 175.207 176.117 -0.031 0.000 1.008 99 I CA -0.851 60.426 61.300 -0.038 0.000 1.104 99 I CB 1.494 39.484 38.000 -0.017 0.000 1.264 99 I HN -0.016 nan 8.210 nan 0.000 0.438 100 K N 3.745 124.112 120.400 -0.055 0.000 2.205 100 K HA 0.558 4.878 4.320 0.000 0.000 0.279 100 K C 0.820 177.403 176.600 -0.028 0.000 1.027 100 K CA 0.129 56.393 56.287 -0.038 0.000 0.932 100 K CB 1.349 33.818 32.500 -0.052 0.000 1.032 100 K HN 0.887 nan 8.250 nan 0.000 0.466 101 G N 3.169 111.969 108.800 -0.000 0.000 2.596 101 G HA2 -0.394 3.566 3.960 0.000 0.000 0.295 101 G HA3 -0.394 3.566 3.960 0.000 0.000 0.295 101 G C -0.138 174.785 174.900 0.038 0.000 1.240 101 G CA 0.308 45.421 45.100 0.022 0.000 0.985 101 G HN 0.843 nan 8.290 nan 0.000 0.555 102 N N -0.145 118.583 118.700 0.047 0.000 2.725 102 N HA -0.246 4.494 4.740 0.000 0.000 0.251 102 N C 1.532 177.121 175.510 0.132 0.000 1.031 102 N CA 1.881 54.974 53.050 0.073 0.000 0.720 102 N CB -1.345 37.160 38.487 0.030 0.000 0.930 102 N HN 1.506 nan 8.380 nan 0.000 0.543 103 T N -3.629 111.035 114.554 0.183 0.000 2.915 103 T HA -0.091 4.260 4.350 0.000 0.000 0.269 103 T C 1.563 176.369 174.700 0.176 0.000 1.071 103 T CA 0.860 63.057 62.100 0.162 0.000 1.132 103 T CB -0.353 68.599 68.868 0.140 0.000 0.878 103 T HN 0.349 nan 8.240 nan 0.000 0.479 104 F N 2.063 122.024 119.950 0.018 0.000 2.113 104 F HA 0.110 4.637 4.527 0.000 0.000 0.297 104 F C 3.070 178.882 175.800 0.020 0.000 1.103 104 F CA 0.815 58.827 58.000 0.019 0.000 1.248 104 F CB -0.558 38.455 39.000 0.021 0.000 0.999 104 F HN 0.238 nan 8.300 nan 0.000 0.475 105 A N 0.227 123.183 122.820 0.226 0.000 1.902 105 A HA -0.210 4.110 4.320 0.000 0.000 0.217 105 A C 2.108 179.744 177.584 0.087 0.000 1.181 105 A CA 1.718 53.835 52.037 0.133 0.000 0.623 105 A CB -0.610 18.456 19.000 0.111 0.000 0.818 105 A HN 0.321 nan 8.150 nan 0.000 0.443 106 K N -0.387 120.061 120.400 0.079 0.000 2.097 106 K HA -0.115 4.205 4.320 0.000 0.000 0.206 106 K C 2.425 179.038 176.600 0.022 0.000 1.049 106 K CA 1.336 57.651 56.287 0.047 0.000 0.933 106 K CB -0.254 32.273 32.500 0.046 0.000 0.717 106 K HN 0.445 nan 8.250 nan 0.000 0.442 107 S N 0.769 116.473 115.700 0.007 0.000 2.370 107 S HA -0.194 4.276 4.470 0.000 0.000 0.226 107 S C 2.089 176.674 174.600 -0.025 0.000 1.033 107 S CA 1.358 59.536 58.200 -0.037 0.000 1.011 107 S CB -0.227 62.911 63.200 -0.103 0.000 0.852 107 S HN 0.384 nan 8.310 nan 0.000 0.457 108 A N 1.880 124.703 122.820 0.005 0.000 1.877 108 A HA -0.008 4.313 4.320 0.000 0.000 0.216 108 A C 2.134 179.725 177.584 0.013 0.000 1.186 108 A CA 1.548 53.595 52.037 0.016 0.000 0.620 108 A CB -0.719 18.311 19.000 0.049 0.000 0.822 108 A HN 0.568 nan 8.150 nan 0.000 0.443 109 I N -0.098 120.482 120.570 0.017 0.000 2.179 109 I HA -0.217 3.953 4.170 0.000 0.000 0.242 109 I C 2.441 178.557 176.117 -0.002 0.000 1.088 109 I CA 1.885 63.191 61.300 0.012 0.000 1.357 109 I CB -1.428 36.583 38.000 0.018 0.000 1.051 109 I HN 0.572 nan 8.210 nan 0.000 0.409 110 E N 0.526 120.722 120.200 -0.008 0.000 2.110 110 E HA -0.206 4.144 4.350 0.000 0.000 0.193 110 E C 2.057 178.635 176.600 -0.036 0.000 0.988 110 E CA 1.912 58.300 56.400 -0.021 0.000 0.804 110 E CB 0.144 29.830 29.700 -0.024 0.000 0.745 110 E HN 0.392 nan 8.360 nan 0.000 0.458 111 T N 0.367 114.897 114.554 -0.041 0.000 2.746 111 T HA -0.128 4.222 4.350 0.000 0.000 0.267 111 T C 1.826 176.499 174.700 -0.045 0.000 1.039 111 T CA 1.279 63.345 62.100 -0.056 0.000 1.142 111 T CB -0.279 68.556 68.868 -0.055 0.000 0.866 111 T HN 0.334 nan 8.240 nan 0.000 0.444 112 A N 1.080 123.887 122.820 -0.020 0.000 1.933 112 A HA 0.020 4.340 4.320 0.000 0.000 0.218 112 A C 2.296 179.869 177.584 -0.019 0.000 1.175 112 A CA 1.162 53.194 52.037 -0.009 0.000 0.628 112 A CB -0.834 18.173 19.000 0.012 0.000 0.814 112 A HN 0.468 nan 8.150 nan 0.000 0.444 113 L N -0.753 120.458 121.223 -0.021 0.000 2.046 113 L HA -0.191 4.149 4.340 0.000 0.000 0.208 113 L C 2.573 179.421 176.870 -0.037 0.000 1.077 113 L CA 1.175 56.002 54.840 -0.023 0.000 0.747 113 L CB -0.487 41.561 42.059 -0.018 0.000 0.896 113 L HN 0.379 nan 8.230 nan 0.000 0.432 114 L N -0.654 120.537 121.223 -0.053 0.000 2.056 114 L HA -0.220 4.120 4.340 0.000 0.000 0.207 114 L C 2.290 179.104 176.870 -0.093 0.000 1.078 114 L CA 1.177 55.971 54.840 -0.076 0.000 0.749 114 L CB -0.557 41.442 42.059 -0.099 0.000 0.901 114 L HN 0.284 nan 8.230 nan 0.000 0.433 115 D N 0.274 120.621 120.400 -0.089 0.000 2.104 115 D HA -0.209 4.431 4.640 0.000 0.000 0.194 115 D C 2.141 178.406 176.300 -0.059 0.000 0.994 115 D CA 1.631 55.578 54.000 -0.088 0.000 0.830 115 D CB 0.118 40.882 40.800 -0.061 0.000 0.959 115 D HN 0.242 nan 8.370 nan 0.000 0.452 116 A N -0.089 122.708 122.820 -0.039 0.000 1.902 116 A HA -0.204 4.116 4.320 0.000 0.000 0.217 116 A C 2.225 179.791 177.584 -0.029 0.000 1.181 116 A CA 2.050 54.072 52.037 -0.025 0.000 0.623 116 A CB -0.942 18.050 19.000 -0.014 0.000 0.818 116 A HN 0.393 nan 8.150 nan 0.000 0.443 117 Q N -0.350 119.429 119.800 -0.035 0.000 2.124 117 Q HA -0.049 4.291 4.340 0.000 0.000 0.202 117 Q C 1.931 177.907 176.000 -0.039 0.000 0.977 117 Q CA 2.019 57.802 55.803 -0.034 0.000 0.850 117 Q CB -0.709 28.008 28.738 -0.036 0.000 0.901 117 Q HN 0.517 nan 8.270 nan 0.000 0.429 118 G N 0.505 109.271 108.800 -0.057 0.000 2.418 118 G HA2 -0.256 3.704 3.960 0.000 0.000 0.217 118 G HA3 -0.256 3.704 3.960 0.000 0.000 0.217 118 G C 1.236 176.111 174.900 -0.042 0.000 1.158 118 G CA 0.880 45.944 45.100 -0.061 0.000 0.771 118 G HN 0.335 nan 8.290 nan 0.000 0.545 119 K N 0.607 120.985 120.400 -0.037 0.000 2.097 119 K HA 0.073 4.393 4.320 0.000 0.000 0.206 119 K C 2.883 179.473 176.600 -0.018 0.000 1.049 119 K CA 0.944 57.217 56.287 -0.024 0.000 0.933 119 K CB -0.193 32.296 32.500 -0.019 0.000 0.717 119 K HN 0.266 nan 8.250 nan 0.000 0.442 120 A N 1.014 123.824 122.820 -0.018 0.000 2.015 120 A HA -0.071 4.249 4.320 0.000 0.000 0.219 120 A C 1.869 179.445 177.584 -0.013 0.000 1.163 120 A CA 1.178 53.207 52.037 -0.013 0.000 0.646 120 A CB -0.291 18.701 19.000 -0.013 0.000 0.806 120 A HN 0.179 nan 8.150 nan 0.000 0.448 121 L N -1.702 119.511 121.223 -0.017 0.000 2.640 121 L HA 0.280 4.620 4.340 0.000 0.000 0.230 121 L C 1.419 178.281 176.870 -0.013 0.000 1.123 121 L CA 0.389 55.221 54.840 -0.014 0.000 0.900 121 L CB 0.047 42.096 42.059 -0.017 0.000 1.146 121 L HN 0.503 nan 8.230 nan 0.000 0.484 122 G N 1.461 110.253 108.800 -0.015 0.000 2.246 122 G HA2 -0.261 3.699 3.960 0.000 0.000 0.273 122 G HA3 -0.261 3.699 3.960 0.000 0.000 0.273 122 G C -0.218 174.674 174.900 -0.012 0.000 1.055 122 G CA 0.125 45.218 45.100 -0.012 0.000 0.851 122 G HN 0.242 nan 8.290 nan 0.000 0.500 123 L N 0.244 121.455 121.223 -0.020 0.000 2.388 123 L HA 0.583 4.923 4.340 0.000 0.000 0.264 123 L C -2.047 174.803 176.870 -0.033 0.000 0.998 123 L CA -2.631 52.198 54.840 -0.019 0.000 0.817 123 L CB 2.823 44.870 42.059 -0.019 0.000 1.338 123 L HN -0.091 nan 8.230 nan 0.000 0.414 124 P HA 0.072 nan 4.420 nan 0.000 0.274 124 P C 0.851 178.085 177.300 -0.111 0.000 1.231 124 P CA -0.340 62.747 63.100 -0.022 0.000 0.790 124 P CB 1.507 33.277 31.700 0.116 0.000 0.951 125 V N 1.868 121.548 119.914 -0.391 0.000 2.380 125 V HA -0.278 3.842 4.120 0.000 0.000 0.251 125 V C 2.741 178.768 176.094 -0.111 0.000 1.063 125 V CA 2.922 65.001 62.300 -0.369 0.000 1.055 125 V CB -1.709 29.715 31.823 -0.664 0.000 0.657 125 V HN 0.746 nan 8.190 nan 0.000 0.455 126 S N 1.095 116.880 115.700 0.142 0.000 2.383 126 S HA -0.209 4.261 4.470 0.000 0.000 0.229 126 S C 2.052 176.690 174.600 0.064 0.000 1.030 126 S CA 1.476 59.779 58.200 0.171 0.000 1.002 126 S CB -0.561 62.772 63.200 0.222 0.000 0.829 126 S HN 0.621 nan 8.310 nan 0.000 0.467 127 A N 1.733 124.578 122.820 0.041 0.000 1.968 127 A HA 0.244 4.564 4.320 0.000 0.000 0.217 127 A C 2.228 179.813 177.584 0.000 0.000 1.169 127 A CA 0.980 53.027 52.037 0.017 0.000 0.638 127 A CB -0.562 18.445 19.000 0.011 0.000 0.812 127 A HN 0.486 nan 8.150 nan 0.000 0.446 128 L N -0.423 120.789 121.223 -0.018 0.000 2.275 128 L HA -0.005 4.335 4.340 0.000 0.000 0.215 128 L C 1.661 178.522 176.870 -0.016 0.000 1.119 128 L CA 1.208 56.033 54.840 -0.026 0.000 0.790 128 L CB -1.000 41.029 42.059 -0.050 0.000 0.919 128 L HN 0.407 nan 8.230 nan 0.000 0.443 129 L N -0.860 120.359 121.223 -0.007 0.000 2.653 129 L HA 0.204 4.544 4.340 0.000 0.000 0.232 129 L C 1.338 178.218 176.870 0.016 0.000 1.169 129 L CA 0.490 55.333 54.840 0.004 0.000 0.951 129 L CB -0.211 41.854 42.059 0.010 0.000 1.181 129 L HN 0.447 nan 8.230 nan 0.000 0.460 130 G N -0.502 108.306 108.800 0.013 0.000 2.195 130 G HA2 -0.080 3.880 3.960 0.000 0.000 0.224 130 G HA3 -0.080 3.880 3.960 0.000 0.000 0.224 130 G C 0.513 175.424 174.900 0.018 0.000 0.990 130 G CA -0.260 44.849 45.100 0.015 0.000 0.639 130 G HN 0.834 nan 8.290 nan 0.000 0.514 131 G N -1.049 107.765 108.800 0.023 0.000 2.742 131 G HA2 0.539 4.499 3.960 0.000 0.000 0.686 131 G HA3 0.539 4.499 3.960 0.000 0.000 0.686 131 G C -0.099 174.819 174.900 0.030 0.000 1.220 131 G CA 0.788 45.903 45.100 0.024 0.000 0.783 131 G HN 2.123 nan 8.290 nan 0.000 0.646 132 A N 1.136 123.972 122.820 0.028 0.000 2.328 132 A HA 0.703 5.023 4.320 0.000 0.000 0.284 132 A C 1.288 178.882 177.584 0.017 0.000 1.160 132 A CA -0.218 51.834 52.037 0.025 0.000 0.818 132 A CB 0.655 19.663 19.000 0.013 0.000 1.087 132 A HN 1.277 nan 8.150 nan 0.000 0.504 133 L N 0.735 121.971 121.223 0.022 0.000 2.313 133 L HA 0.052 4.392 4.340 0.000 0.000 0.214 133 L C 1.246 178.121 176.870 0.007 0.000 1.119 133 L CA 1.491 56.340 54.840 0.015 0.000 0.809 133 L CB -0.912 41.159 42.059 0.020 0.000 0.933 133 L HN 0.886 nan 8.230 nan 0.000 0.449 134 Q N -3.182 116.621 119.800 0.005 0.000 2.472 134 Q HA 0.393 4.733 4.340 0.000 0.000 0.281 134 Q C -0.263 175.727 176.000 -0.017 0.000 0.997 134 Q CA -0.048 55.752 55.803 -0.005 0.000 0.828 134 Q CB 0.908 29.644 28.738 -0.003 0.000 1.443 134 Q HN 0.005 nan 8.270 nan 0.000 0.390 135 T N -2.633 111.905 114.554 -0.028 0.000 3.054 135 T HA 0.607 4.958 4.350 0.000 0.000 0.255 135 T C 0.262 174.925 174.700 -0.062 0.000 1.035 135 T CA 0.320 62.390 62.100 -0.049 0.000 0.941 135 T CB 0.451 69.294 68.868 -0.043 0.000 1.026 135 T HN 0.708 nan 8.240 nan 0.000 0.533 136 A N 1.552 124.345 122.820 -0.044 0.000 2.353 136 A HA 0.765 5.085 4.320 0.000 0.000 0.299 136 A C -0.875 176.695 177.584 -0.024 0.000 1.089 136 A CA -0.808 51.202 52.037 -0.046 0.000 0.736 136 A CB 1.108 20.087 19.000 -0.035 0.000 1.195 136 A HN 0.442 nan 8.150 nan 0.000 0.447 137 L N 3.769 124.981 121.223 -0.019 0.000 2.346 137 L HA 0.564 4.904 4.340 0.000 0.000 0.274 137 L C -2.216 174.678 176.870 0.040 0.000 1.007 137 L CA -2.371 52.480 54.840 0.019 0.000 0.818 137 L CB 2.725 44.813 42.059 0.049 0.000 1.284 137 L HN 0.497 nan 8.230 nan 0.000 0.424 138 P HA 0.124 nan 4.420 nan 0.000 0.276 138 P C -1.038 176.329 177.300 0.111 0.000 1.230 138 P CA -0.163 62.977 63.100 0.066 0.000 0.776 138 P CB 1.612 33.340 31.700 0.046 0.000 0.888 139 V N 4.370 124.378 119.914 0.157 0.000 2.482 139 V HA 0.185 4.305 4.120 0.000 0.000 0.295 139 V C 0.526 176.762 176.094 0.236 0.000 1.026 139 V CA -0.764 61.681 62.300 0.242 0.000 0.856 139 V CB 1.359 33.412 31.823 0.383 0.000 1.001 139 V HN 0.440 nan 8.190 nan 0.000 0.424 140 L N 1.812 123.188 121.223 0.254 0.000 2.488 140 L HA 0.699 5.039 4.340 0.000 0.000 0.249 140 L C -0.406 176.647 176.870 0.306 0.000 1.151 140 L CA -0.478 54.480 54.840 0.197 0.000 0.806 140 L CB 0.622 42.794 42.059 0.189 0.000 1.261 140 L HN 0.727 nan 8.230 nan 0.000 0.484 141 W N 0.205 121.476 121.300 -0.048 0.000 2.702 141 W HA 0.517 5.177 4.660 0.000 0.000 0.331 141 W C -1.340 175.112 176.519 -0.111 0.000 1.049 141 W CA -0.620 56.599 57.345 -0.211 0.000 1.230 141 W CB 2.242 31.684 29.460 -0.029 0.000 1.408 141 W HN 0.571 nan 8.180 nan 0.000 0.492 142 T N 6.303 120.184 114.554 -1.121 0.000 2.771 142 T HA 0.397 4.747 4.350 0.000 0.000 0.291 142 T C 0.006 174.411 174.700 -0.492 0.000 0.954 142 T CA -0.304 61.455 62.100 -0.569 0.000 1.045 142 T CB 0.714 69.332 68.868 -0.418 0.000 0.917 142 T HN 0.201 nan 8.240 nan 0.000 0.484 143 L N 3.127 124.281 121.223 -0.116 0.000 2.262 143 L HA 0.635 4.975 4.340 0.000 0.000 0.288 143 L C 0.497 177.359 176.870 -0.013 0.000 1.035 143 L CA -0.653 54.170 54.840 -0.028 0.000 0.820 143 L CB 0.891 42.951 42.059 0.000 0.000 1.204 143 L HN 0.785 nan 8.230 nan 0.000 0.424 144 A N 1.179 123.981 122.820 -0.030 0.000 3.165 144 A HA 0.203 4.523 4.320 0.000 0.000 0.212 144 A C 0.945 178.522 177.584 -0.013 0.000 0.935 144 A CA 0.013 52.038 52.037 -0.020 0.000 1.100 144 A CB 0.192 19.159 19.000 -0.055 0.000 1.260 144 A HN 0.662 nan 8.150 nan 0.000 0.532 145 S N -1.154 114.554 115.700 0.014 0.000 2.489 145 S HA 0.341 4.812 4.470 0.000 0.000 0.228 145 S C 1.644 176.240 174.600 -0.006 0.000 0.995 145 S CA 1.251 59.459 58.200 0.015 0.000 0.934 145 S CB -0.034 63.187 63.200 0.035 0.000 0.771 145 S HN 2.161 nan 8.310 nan 0.000 0.522 146 G N 0.566 109.345 108.800 -0.035 0.000 2.195 146 G HA2 -0.245 3.715 3.960 0.000 0.000 0.246 146 G HA3 -0.245 3.715 3.960 0.000 0.000 0.246 146 G C -0.259 174.584 174.900 -0.094 0.000 0.984 146 G CA 0.194 45.241 45.100 -0.088 0.000 0.633 146 G HN 0.737 nan 8.290 nan 0.000 0.525 147 D N -0.816 119.574 120.400 -0.016 0.000 2.502 147 D HA 0.662 5.302 4.640 0.000 0.000 0.249 147 D C 1.567 177.948 176.300 0.134 0.000 1.092 147 D CA 0.317 54.334 54.000 0.029 0.000 0.839 147 D CB 1.162 41.978 40.800 0.026 0.000 1.264 147 D HN -0.083 nan 8.370 nan 0.000 0.511 148 T N 2.063 116.740 114.554 0.205 0.000 2.684 148 T HA -0.162 4.189 4.350 0.000 0.000 0.267 148 T C 1.896 176.642 174.700 0.077 0.000 1.036 148 T CA 1.518 63.761 62.100 0.238 0.000 1.148 148 T CB -0.259 68.738 68.868 0.214 0.000 0.863 148 T HN 0.552 nan 8.240 nan 0.000 0.436 149 A N 1.857 124.709 122.820 0.053 0.000 1.883 149 A HA -0.171 4.149 4.320 0.000 0.000 0.217 149 A C 2.267 179.857 177.584 0.010 0.000 1.186 149 A CA 1.786 53.834 52.037 0.019 0.000 0.624 149 A CB -0.488 18.522 19.000 0.017 0.000 0.822 149 A HN 0.499 nan 8.150 nan 0.000 0.444 150 K N -0.502 119.912 120.400 0.024 0.000 2.057 150 K HA -0.136 4.184 4.320 0.000 0.000 0.207 150 K C 1.570 178.177 176.600 0.011 0.000 1.049 150 K CA 1.419 57.717 56.287 0.018 0.000 0.931 150 K CB -0.249 32.268 32.500 0.029 0.000 0.714 150 K HN 0.386 nan 8.250 nan 0.000 0.440 151 D N 1.042 121.457 120.400 0.025 0.000 2.097 151 D HA -0.120 4.521 4.640 0.000 0.000 0.195 151 D C 1.884 178.126 176.300 -0.098 0.000 0.989 151 D CA 1.024 55.019 54.000 -0.010 0.000 0.827 151 D CB -0.171 40.649 40.800 0.033 0.000 0.966 151 D HN 0.151 nan 8.370 nan 0.000 0.456 152 I N 1.017 121.533 120.570 -0.090 0.000 2.226 152 I HA -0.258 3.912 4.170 0.000 0.000 0.245 152 I C 2.444 178.498 176.117 -0.105 0.000 1.100 152 I CA 0.957 62.185 61.300 -0.120 0.000 1.374 152 I CB -0.234 37.717 38.000 -0.081 0.000 1.057 152 I HN -0.069 nan 8.210 nan 0.000 0.413 153 A N 0.438 123.219 122.820 -0.065 0.000 1.865 153 A HA -0.290 4.031 4.320 0.000 0.000 0.217 153 A C 2.311 179.854 177.584 -0.070 0.000 1.191 153 A CA 2.098 54.103 52.037 -0.053 0.000 0.623 153 A CB -0.724 18.258 19.000 -0.030 0.000 0.826 153 A HN 0.487 nan 8.150 nan 0.000 0.444 154 E N -0.729 119.431 120.200 -0.068 0.000 2.110 154 E HA -0.115 4.235 4.350 0.000 0.000 0.193 154 E C 2.032 178.548 176.600 -0.140 0.000 0.988 154 E CA 1.046 57.400 56.400 -0.076 0.000 0.804 154 E CB -0.402 29.303 29.700 0.007 0.000 0.745 154 E HN 0.530 nan 8.360 nan 0.000 0.458 155 G N 0.477 109.131 108.800 -0.244 0.000 2.402 155 G HA2 -0.296 3.664 3.960 0.000 0.000 0.216 155 G HA3 -0.296 3.664 3.960 0.000 0.000 0.216 155 G C 1.500 176.301 174.900 -0.166 0.000 1.162 155 G CA 0.837 45.650 45.100 -0.478 0.000 0.777 155 G HN 0.254 nan 8.290 nan 0.000 0.539 156 E N 0.541 120.670 120.200 -0.118 0.000 2.110 156 E HA -0.089 4.261 4.350 0.000 0.000 0.193 156 E C 2.294 178.882 176.600 -0.020 0.000 0.988 156 E CA 1.232 57.606 56.400 -0.042 0.000 0.804 156 E CB -0.189 29.484 29.700 -0.045 0.000 0.745 156 E HN 0.477 nan 8.360 nan 0.000 0.458 157 K N -0.494 119.878 120.400 -0.046 0.000 2.097 157 K HA -0.130 4.190 4.320 0.000 0.000 0.206 157 K C 1.650 178.224 176.600 -0.044 0.000 1.049 157 K CA 1.062 57.318 56.287 -0.051 0.000 0.933 157 K CB -0.036 32.416 32.500 -0.079 0.000 0.717 157 K HN 0.120 nan 8.250 nan 0.000 0.442 158 L N 0.909 122.117 121.223 -0.024 0.000 2.217 158 L HA -0.050 4.290 4.340 0.000 0.000 0.211 158 L C 1.815 178.727 176.870 0.069 0.000 1.107 158 L CA 1.204 56.048 54.840 0.006 0.000 0.783 158 L CB -0.224 41.888 42.059 0.090 0.000 0.919 158 L HN 0.183 nan 8.230 nan 0.000 0.442 159 L N -1.137 120.153 121.223 0.113 0.000 2.558 159 L HA 0.154 4.494 4.340 0.000 0.000 0.225 159 L C 1.517 178.410 176.870 0.040 0.000 1.128 159 L CA -0.329 54.568 54.840 0.096 0.000 0.868 159 L CB -0.493 41.644 42.059 0.131 0.000 1.006 159 L HN 0.170 nan 8.230 nan 0.000 0.454 166 A N 0.447 122.987 122.820 -0.467 0.000 2.488 166 A HA 0.735 5.055 4.320 0.000 0.000 0.298 166 A C -1.627 175.639 177.584 -0.530 0.000 1.044 166 A CA -0.436 51.412 52.037 -0.315 0.000 0.693 166 A CB 0.903 19.867 19.000 -0.060 0.000 1.272 166 A HN 0.040 nan 8.150 nan 0.000 0.402 167 F N 0.683 120.705 119.950 0.120 0.000 2.576 167 F HA 0.649 5.177 4.527 0.000 0.000 0.313 167 F C 0.198 176.047 175.800 0.082 0.000 1.078 167 F CA -0.587 57.479 58.000 0.110 0.000 0.921 167 F CB 2.641 41.695 39.000 0.090 0.000 1.232 167 F HN 0.552 nan 8.300 nan 0.000 0.459 168 K N 4.029 124.589 120.400 0.266 0.000 2.394 168 K HA 0.630 4.950 4.320 0.000 0.000 0.260 168 K C -1.769 174.886 176.600 0.093 0.000 0.967 168 K CA -0.408 55.966 56.287 0.145 0.000 0.855 168 K CB 0.840 33.426 32.500 0.144 0.000 1.101 168 K HN 0.706 nan 8.250 nan 0.000 0.433 169 L N 4.518 125.783 121.223 0.070 0.000 2.275 169 L HA 0.417 4.758 4.340 0.000 0.000 0.288 169 L C 0.185 177.075 176.870 0.033 0.000 1.046 169 L CA -0.986 53.890 54.840 0.060 0.000 0.805 169 L CB 1.121 43.220 42.059 0.067 0.000 1.193 169 L HN 0.425 nan 8.230 nan 0.000 0.426 170 K N 5.519 125.933 120.400 0.024 0.000 2.258 170 K HA 0.595 4.915 4.320 0.000 0.000 0.284 170 K C -0.273 176.321 176.600 -0.011 0.000 1.051 170 K CA -0.191 56.084 56.287 -0.020 0.000 0.923 170 K CB 1.907 34.385 32.500 -0.037 0.000 1.046 170 K HN 0.637 nan 8.250 nan 0.000 0.474 171 I N -3.348 117.185 120.570 -0.061 0.000 3.509 171 I HA 0.667 4.837 4.170 0.000 0.000 0.311 171 I C 0.666 176.705 176.117 -0.130 0.000 1.178 171 I CA -0.806 60.463 61.300 -0.052 0.000 0.963 171 I CB 1.961 39.975 38.000 0.022 0.000 1.352 171 I HN 0.621 nan 8.210 nan 0.000 0.482 172 G N 0.398 109.158 108.800 -0.067 0.000 2.195 172 G HA2 -0.184 3.777 3.960 0.000 0.000 0.224 172 G HA3 -0.184 3.777 3.960 0.000 0.000 0.224 172 G C 0.722 175.639 174.900 0.028 0.000 0.990 172 G CA 0.437 45.482 45.100 -0.091 0.000 0.639 172 G HN 1.374 nan 8.290 nan 0.000 0.514 173 A N -0.145 122.686 122.820 0.018 0.000 2.275 173 A HA 0.660 4.981 4.320 0.000 0.000 0.212 173 A C 1.326 178.932 177.584 0.037 0.000 1.201 173 A CA 1.042 53.093 52.037 0.024 0.000 0.843 173 A CB 0.125 19.126 19.000 0.002 0.000 0.873 173 A HN 0.499 nan 8.150 nan 0.000 0.492 174 R N -1.075 119.461 120.500 0.060 0.000 2.987 174 R HA 0.470 4.811 4.340 0.000 0.000 0.248 174 R C -0.911 175.443 176.300 0.091 0.000 1.264 174 R CA -1.057 55.075 56.100 0.054 0.000 1.026 174 R CB 0.354 30.666 30.300 0.020 0.000 1.286 174 R HN 0.120 nan 8.270 nan 0.000 0.483 175 E N 1.029 121.266 120.200 0.061 0.000 2.437 175 E HA -0.078 4.272 4.350 0.000 0.000 0.263 175 E C 0.668 177.311 176.600 0.072 0.000 1.030 175 E CA -0.044 56.388 56.400 0.053 0.000 0.934 175 E CB 0.535 30.252 29.700 0.027 0.000 0.943 175 E HN 0.416 nan 8.360 nan 0.000 0.444 176 L N 4.376 125.621 121.223 0.035 0.000 1.990 176 L HA -0.194 4.147 4.340 0.000 0.000 0.213 176 L C 1.845 178.731 176.870 0.027 0.000 1.072 176 L CA 2.724 57.568 54.840 0.006 0.000 0.755 176 L CB -0.955 41.002 42.059 -0.170 0.000 0.889 176 L HN 0.677 nan 8.230 nan 0.000 0.432 177 A N -1.901 120.922 122.820 0.004 0.000 1.978 177 A HA -0.206 4.114 4.320 0.000 0.000 0.220 177 A C 2.244 179.855 177.584 0.046 0.000 1.170 177 A CA 2.265 54.311 52.037 0.015 0.000 0.636 177 A CB -1.151 17.851 19.000 0.003 0.000 0.810 177 A HN 0.563 nan 8.150 nan 0.000 0.448 178 T N -0.087 114.499 114.554 0.053 0.000 2.737 178 T HA -0.098 4.252 4.350 0.000 0.000 0.265 178 T C 1.518 176.279 174.700 0.103 0.000 1.038 178 T CA 1.450 63.588 62.100 0.063 0.000 1.144 178 T CB -0.346 68.548 68.868 0.043 0.000 0.866 178 T HN 0.437 nan 8.240 nan 0.000 0.434 179 D N 0.984 121.461 120.400 0.128 0.000 2.144 179 D HA 0.040 4.680 4.640 0.000 0.000 0.200 179 D C 2.112 178.544 176.300 0.220 0.000 0.978 179 D CA 0.603 54.716 54.000 0.189 0.000 0.833 179 D CB -0.253 40.697 40.800 0.251 0.000 0.961 179 D HN 0.304 nan 8.370 nan 0.000 0.470 180 L N 0.175 121.497 121.223 0.165 0.000 2.093 180 L HA -0.057 4.283 4.340 0.000 0.000 0.208 180 L C 2.585 179.515 176.870 0.100 0.000 1.085 180 L CA 0.749 55.666 54.840 0.128 0.000 0.755 180 L CB -0.229 41.875 42.059 0.076 0.000 0.904 180 L HN -0.051 nan 8.230 nan 0.000 0.435 181 R N -0.683 119.875 120.500 0.096 0.000 2.092 181 R HA -0.215 4.125 4.340 0.000 0.000 0.231 181 R C 2.392 178.747 176.300 0.092 0.000 1.119 181 R CA 1.478 57.623 56.100 0.075 0.000 0.970 181 R CB -0.191 30.148 30.300 0.065 0.000 0.864 181 R HN 0.369 nan 8.270 nan 0.000 0.440 182 H N 0.240 119.330 119.070 0.033 0.000 2.270 182 H HA -0.109 4.447 4.556 0.000 0.000 0.299 182 H C 2.068 177.411 175.328 0.025 0.000 1.077 182 H CA 2.936 59.000 56.048 0.026 0.000 1.294 182 H CB -0.499 29.282 29.762 0.031 0.000 1.371 182 H HN 0.298 nan 8.280 nan 0.000 0.491 183 T N -1.444 113.094 114.554 -0.026 0.000 2.788 183 T HA -0.207 4.144 4.350 0.000 0.000 0.268 183 T C 2.210 176.869 174.700 -0.067 0.000 1.044 183 T CA 1.451 63.500 62.100 -0.085 0.000 1.139 183 T CB -0.397 68.504 68.868 0.055 0.000 0.867 183 T HN 0.361 nan 8.240 nan 0.000 0.454 184 R N 1.101 121.591 120.500 -0.016 0.000 2.081 184 R HA 0.021 4.361 4.340 0.000 0.000 0.235 184 R C 2.770 179.050 176.300 -0.033 0.000 1.131 184 R CA 1.406 57.501 56.100 -0.009 0.000 0.960 184 R CB -0.750 29.557 30.300 0.012 0.000 0.856 184 R HN 0.541 nan 8.270 nan 0.000 0.436 185 A N 0.748 123.535 122.820 -0.056 0.000 1.930 185 A HA -0.113 4.207 4.320 0.000 0.000 0.217 185 A C 2.099 179.628 177.584 -0.093 0.000 1.175 185 A CA 1.212 53.211 52.037 -0.062 0.000 0.627 185 A CB -0.385 18.581 19.000 -0.057 0.000 0.815 185 A HN 0.333 nan 8.150 nan 0.000 0.443 186 I N -0.504 119.971 120.570 -0.157 0.000 2.315 186 I HA -0.176 3.994 4.170 0.000 0.000 0.248 186 I C 2.251 178.320 176.117 -0.080 0.000 1.117 186 I CA 0.829 62.032 61.300 -0.161 0.000 1.404 186 I CB -0.223 37.627 38.000 -0.251 0.000 1.071 186 I HN 0.136 nan 8.210 nan 0.000 0.419 187 V N 0.411 120.296 119.914 -0.048 0.000 2.358 187 V HA -0.230 3.891 4.120 0.000 0.000 0.246 187 V C 2.509 178.603 176.094 0.001 0.000 1.047 187 V CA 1.660 63.958 62.300 -0.002 0.000 1.035 187 V CB -0.573 31.256 31.823 0.009 0.000 0.658 187 V HN 0.395 nan 8.190 nan 0.000 0.452 188 E N 0.172 120.365 120.200 -0.012 0.000 2.077 188 E HA -0.190 4.160 4.350 0.000 0.000 0.193 188 E C 2.305 178.900 176.600 -0.007 0.000 0.989 188 E CA 1.589 57.985 56.400 -0.006 0.000 0.800 188 E CB -0.180 29.513 29.700 -0.011 0.000 0.746 188 E HN 0.575 nan 8.360 nan 0.000 0.452 189 A N 0.157 122.963 122.820 -0.023 0.000 1.930 189 A HA -0.002 4.318 4.320 0.000 0.000 0.215 189 A C 2.065 179.643 177.584 -0.010 0.000 1.176 189 A CA 0.757 52.779 52.037 -0.025 0.000 0.632 189 A CB -0.063 18.906 19.000 -0.051 0.000 0.819 189 A HN 0.176 nan 8.150 nan 0.000 0.445 190 L N -1.976 119.246 121.223 -0.001 0.000 2.781 190 L HA 0.231 4.572 4.340 0.000 0.000 0.245 190 L C 2.374 179.311 176.870 0.110 0.000 1.118 190 L CA 0.438 55.314 54.840 0.061 0.000 0.918 190 L CB -0.191 41.887 42.059 0.033 0.000 1.246 190 L HN 0.367 nan 8.230 nan 0.000 0.526 191 G N 0.161 109.005 108.800 0.073 0.000 2.475 191 G HA2 -0.311 3.649 3.960 0.000 0.000 0.220 191 G HA3 -0.311 3.649 3.960 0.000 0.000 0.220 191 G C 1.218 176.159 174.900 0.069 0.000 1.125 191 G CA 1.117 46.264 45.100 0.077 0.000 0.755 191 G HN 0.367 nan 8.290 nan 0.000 0.565 192 D N 0.127 120.560 120.400 0.055 0.000 2.317 192 D HA -0.002 4.638 4.640 0.000 0.000 0.211 192 D C 2.128 178.457 176.300 0.049 0.000 0.966 192 D CA 0.413 54.440 54.000 0.044 0.000 0.876 192 D CB 0.111 40.931 40.800 0.032 0.000 0.927 192 D HN 0.308 nan 8.370 nan 0.000 0.519 193 R N -0.730 119.811 120.500 0.068 0.000 2.476 193 R HA 0.437 4.777 4.340 0.000 0.000 0.276 193 R C -0.049 176.295 176.300 0.074 0.000 0.941 193 R CA -0.144 55.995 56.100 0.065 0.000 1.088 193 R CB 1.626 31.969 30.300 0.071 0.000 1.216 193 R HN -0.045 nan 8.270 nan 0.000 0.533 194 A N 0.148 123.027 122.820 0.097 0.000 2.612 194 A HA 0.441 4.761 4.320 0.000 0.000 0.293 194 A C -1.066 176.576 177.584 0.097 0.000 1.075 194 A CA -0.587 51.498 52.037 0.080 0.000 0.680 194 A CB 1.704 20.775 19.000 0.120 0.000 1.279 194 A HN -0.020 nan 8.150 nan 0.000 0.411 195 S N 1.271 117.009 115.700 0.064 0.000 2.481 195 S HA 0.482 4.953 4.470 0.000 0.000 0.276 195 S C -0.184 174.500 174.600 0.141 0.000 1.247 195 S CA -0.354 57.906 58.200 0.100 0.000 1.053 195 S CB -0.521 62.740 63.200 0.102 0.000 0.925 195 S HN 0.437 nan 8.310 nan 0.000 0.491 196 I N 5.741 126.398 120.570 0.145 0.000 2.312 196 I HA 0.457 4.628 4.170 0.000 0.000 0.290 196 I C 0.260 176.441 176.117 0.108 0.000 1.008 196 I CA -0.448 60.943 61.300 0.150 0.000 1.226 196 I CB 1.039 39.112 38.000 0.121 0.000 1.371 196 I HN 0.630 nan 8.210 nan 0.000 0.468 197 R N 4.386 124.944 120.500 0.098 0.000 2.854 197 R HA 0.818 5.158 4.340 0.000 0.000 0.271 197 R C -0.634 175.676 176.300 0.017 0.000 0.996 197 R CA -0.778 55.338 56.100 0.027 0.000 0.961 197 R CB 2.319 32.612 30.300 -0.012 0.000 1.182 197 R HN 0.484 nan 8.270 nan 0.000 0.479 198 V N -2.155 117.740 119.914 -0.031 0.000 2.960 198 V HA 0.727 4.848 4.120 0.000 0.000 0.315 198 V C -1.143 174.892 176.094 -0.098 0.000 1.087 198 V CA -0.762 61.515 62.300 -0.038 0.000 0.982 198 V CB 2.283 34.092 31.823 -0.025 0.000 1.039 198 V HN 0.693 nan 8.190 nan 0.000 0.437 199 D N 1.228 121.562 120.400 -0.110 0.000 2.620 199 D HA 0.513 5.153 4.640 0.000 0.000 0.252 199 D C 0.150 176.323 176.300 -0.213 0.000 1.207 199 D CA -0.298 53.615 54.000 -0.145 0.000 0.884 199 D CB 2.122 42.869 40.800 -0.088 0.000 1.262 199 D HN 0.350 nan 8.370 nan 0.000 0.552 200 V N 3.241 122.960 119.914 -0.324 0.000 3.506 200 V HA 0.049 4.169 4.120 0.000 0.000 0.263 200 V C 1.019 176.926 176.094 -0.313 0.000 1.203 200 V CA 0.152 62.154 62.300 -0.496 0.000 1.133 200 V CB -1.287 29.981 31.823 -0.926 0.000 0.802 200 V HN 0.794 nan 8.190 nan 0.000 0.459 201 N N 1.614 120.198 118.700 -0.194 0.000 2.699 201 N HA -0.304 4.436 4.740 0.000 0.000 0.256 201 N C 0.680 176.137 175.510 -0.088 0.000 0.993 201 N CA 1.170 54.160 53.050 -0.101 0.000 0.759 201 N CB -1.040 37.427 38.487 -0.034 0.000 0.906 201 N HN 0.750 nan 8.380 nan 0.000 0.541 202 Q N -4.013 115.717 119.800 -0.117 0.000 2.324 202 Q HA -0.325 4.016 4.340 0.000 0.000 0.200 202 Q C 1.075 177.039 176.000 -0.060 0.000 0.645 202 Q CA 1.273 57.027 55.803 -0.082 0.000 1.377 202 Q CB -1.791 26.903 28.738 -0.073 0.000 1.486 202 Q HN 0.656 nan 8.270 nan 0.000 0.796 203 A N -0.278 122.472 122.820 -0.117 0.000 2.015 203 A HA -0.082 4.238 4.320 0.000 0.000 0.219 203 A C 0.398 178.056 177.584 0.124 0.000 1.163 203 A CA 0.688 52.696 52.037 -0.048 0.000 0.646 203 A CB -0.066 18.866 19.000 -0.112 0.000 0.806 203 A HN 0.378 nan 8.150 nan 0.000 0.448 204 W N 2.159 123.464 121.300 0.007 0.000 2.316 204 W HA 0.348 5.009 4.660 0.000 0.000 0.321 204 W C -0.046 176.480 176.519 0.010 0.000 1.203 204 W CA -1.730 55.620 57.345 0.009 0.000 1.214 204 W CB 0.169 29.634 29.460 0.009 0.000 1.169 204 W HN 0.412 nan 8.180 nan 0.000 0.561 205 D N 0.489 121.029 120.400 0.233 0.000 2.398 205 D HA 0.254 4.894 4.640 0.000 0.000 0.247 205 D C 1.005 177.371 176.300 0.111 0.000 1.227 205 D CA -0.276 53.799 54.000 0.126 0.000 0.980 205 D CB 0.894 41.736 40.800 0.071 0.000 1.106 205 D HN 0.293 nan 8.370 nan 0.000 0.493 206 A N 0.547 123.412 122.820 0.074 0.000 1.908 206 A HA -0.063 4.257 4.320 0.000 0.000 0.218 206 A C 2.224 179.820 177.584 0.019 0.000 1.181 206 A CA 2.465 54.537 52.037 0.058 0.000 0.627 206 A CB -1.055 17.972 19.000 0.045 0.000 0.818 206 A HN 0.705 nan 8.150 nan 0.000 0.445 207 A N -1.242 121.573 122.820 -0.009 0.000 1.898 207 A HA -0.032 4.288 4.320 0.000 0.000 0.216 207 A C 2.297 179.814 177.584 -0.112 0.000 1.181 207 A CA 2.144 54.153 52.037 -0.047 0.000 0.620 207 A CB -1.162 17.812 19.000 -0.043 0.000 0.819 207 A HN 0.417 nan 8.150 nan 0.000 0.442 208 T N -0.177 114.285 114.554 -0.153 0.000 2.821 208 T HA -0.027 4.323 4.350 0.000 0.000 0.267 208 T C 1.956 176.348 174.700 -0.514 0.000 1.046 208 T CA 1.359 63.238 62.100 -0.369 0.000 1.139 208 T CB -0.568 68.053 68.868 -0.413 0.000 0.871 208 T HN 0.571 nan 8.240 nan 0.000 0.454 209 G N 1.139 109.841 108.800 -0.164 0.000 2.418 209 G HA2 -0.061 3.899 3.960 0.000 0.000 0.217 209 G HA3 -0.061 3.899 3.960 0.000 0.000 0.217 209 G C 1.819 176.712 174.900 -0.011 0.000 1.158 209 G CA 0.909 46.054 45.100 0.075 0.000 0.771 209 G HN 0.574 nan 8.290 nan 0.000 0.545 210 A N 0.633 123.429 122.820 -0.040 0.000 1.877 210 A HA 0.003 4.323 4.320 0.000 0.000 0.216 210 A C 2.219 179.756 177.584 -0.078 0.000 1.186 210 A CA 2.131 54.149 52.037 -0.032 0.000 0.620 210 A CB -0.420 18.565 19.000 -0.026 0.000 0.822 210 A HN 0.400 nan 8.150 nan 0.000 0.443 211 K N -0.747 119.564 120.400 -0.147 0.000 2.025 211 K HA -0.072 4.248 4.320 0.000 0.000 0.207 211 K C 2.079 178.557 176.600 -0.204 0.000 1.049 211 K CA 1.339 57.529 56.287 -0.161 0.000 0.933 211 K CB -0.552 31.838 32.500 -0.183 0.000 0.714 211 K HN 0.361 nan 8.250 nan 0.000 0.438 212 G N 0.766 109.322 108.800 -0.407 0.000 2.421 212 G HA2 -0.266 3.694 3.960 0.000 0.000 0.216 212 G HA3 -0.266 3.694 3.960 0.000 0.000 0.216 212 G C 1.640 176.509 174.900 -0.052 0.000 1.171 212 G CA 1.049 45.867 45.100 -0.470 0.000 0.775 212 G HN 0.439 nan 8.290 nan 0.000 0.543 213 C N 0.071 119.405 119.300 0.057 0.000 2.425 213 C HA 0.066 4.527 4.460 0.000 0.000 0.277 213 C C 2.973 178.001 174.990 0.063 0.000 1.280 213 C CA 0.547 59.653 59.018 0.147 0.000 1.744 213 C CB -0.811 27.020 27.740 0.152 0.000 1.989 213 C HN 0.442 nan 8.230 nan 0.000 0.491 214 R N 0.627 121.137 120.500 0.016 0.000 2.081 214 R HA -0.101 4.239 4.340 0.000 0.000 0.235 214 R C 2.189 178.496 176.300 0.011 0.000 1.131 214 R CA 1.076 57.180 56.100 0.007 0.000 0.960 214 R CB -0.274 30.018 30.300 -0.012 0.000 0.856 214 R HN 0.586 nan 8.270 nan 0.000 0.436 215 E N 0.893 121.095 120.200 0.003 0.000 2.072 215 E HA -0.152 4.199 4.350 0.000 0.000 0.191 215 E C 2.181 178.806 176.600 0.040 0.000 0.985 215 E CA 0.942 57.349 56.400 0.012 0.000 0.801 215 E CB -0.170 29.529 29.700 -0.002 0.000 0.750 215 E HN 0.333 nan 8.360 nan 0.000 0.452 216 L N 0.564 121.830 121.223 0.071 0.000 2.046 216 L HA -0.170 4.170 4.340 0.000 0.000 0.208 216 L C 2.579 179.484 176.870 0.058 0.000 1.077 216 L CA 1.220 56.112 54.840 0.086 0.000 0.747 216 L CB -0.534 41.606 42.059 0.135 0.000 0.896 216 L HN 0.064 nan 8.230 nan 0.000 0.432 217 A N -0.023 122.827 122.820 0.049 0.000 1.902 217 A HA -0.162 4.158 4.320 0.000 0.000 0.217 217 A C 2.508 180.111 177.584 0.031 0.000 1.181 217 A CA 1.706 53.765 52.037 0.036 0.000 0.623 217 A CB -0.737 18.280 19.000 0.028 0.000 0.818 217 A HN 0.398 nan 8.150 nan 0.000 0.443 218 A N 0.322 123.158 122.820 0.026 0.000 1.972 218 A HA -0.080 4.241 4.320 0.000 0.000 0.219 218 A C 2.183 179.781 177.584 0.023 0.000 1.169 218 A CA 1.733 53.782 52.037 0.020 0.000 0.635 218 A CB -0.693 18.316 19.000 0.014 0.000 0.810 218 A HN 0.843 nan 8.150 nan 0.000 0.446 219 M N -2.921 116.696 119.600 0.028 0.000 2.561 219 M HA 0.405 4.885 4.480 0.000 0.000 0.238 219 M C 1.079 177.398 176.300 0.032 0.000 1.131 219 M CA 1.063 56.380 55.300 0.028 0.000 1.046 219 M CB 0.138 32.756 32.600 0.030 0.000 1.532 219 M HN 0.632 nan 8.290 nan 0.000 0.497 220 G N 0.925 109.747 108.800 0.036 0.000 2.159 220 G HA2 -0.167 3.793 3.960 0.000 0.000 0.227 220 G HA3 -0.167 3.793 3.960 0.000 0.000 0.227 220 G C -0.111 174.820 174.900 0.052 0.000 0.986 220 G CA -0.102 45.023 45.100 0.042 0.000 0.651 220 G HN 0.371 nan 8.290 nan 0.000 0.523 221 V N 1.475 121.420 119.914 0.051 0.000 2.599 221 V HA 0.172 4.292 4.120 0.000 0.000 0.300 221 V C 1.365 177.493 176.094 0.058 0.000 1.034 221 V CA 0.797 63.129 62.300 0.053 0.000 1.115 221 V CB 1.169 33.020 31.823 0.046 0.000 0.934 221 V HN 0.294 nan 8.190 nan 0.000 0.485 222 D N 2.692 123.141 120.400 0.080 0.000 2.249 222 D HA 0.135 4.775 4.640 0.000 0.000 0.205 222 D C 0.116 176.440 176.300 0.040 0.000 0.962 222 D CA 0.818 54.899 54.000 0.135 0.000 0.860 222 D CB 0.473 41.421 40.800 0.246 0.000 0.955 222 D HN 0.306 nan 8.370 nan 0.000 0.505 223 L N 0.237 121.409 121.223 -0.085 0.000 2.549 223 L HA 0.385 4.725 4.340 0.000 0.000 0.259 223 L C -1.860 174.887 176.870 -0.204 0.000 0.934 223 L CA -0.470 54.186 54.840 -0.307 0.000 0.865 223 L CB 2.237 43.938 42.059 -0.596 0.000 1.352 223 L HN -0.240 nan 8.230 nan 0.000 0.410 224 I N 3.528 123.981 120.570 -0.195 0.000 2.382 224 I HA 0.409 4.579 4.170 0.000 0.000 0.286 224 I C -0.347 175.674 176.117 -0.160 0.000 1.002 224 I CA -0.485 60.739 61.300 -0.126 0.000 1.135 224 I CB 1.786 39.763 38.000 -0.037 0.000 1.288 224 I HN 0.618 nan 8.210 nan 0.000 0.448 225 E N 5.707 125.800 120.200 -0.179 0.000 2.227 225 E HA 0.117 4.467 4.350 0.000 0.000 0.282 225 E C -0.145 176.369 176.600 -0.144 0.000 1.015 225 E CA -0.679 55.616 56.400 -0.175 0.000 0.823 225 E CB 0.848 30.435 29.700 -0.188 0.000 1.081 225 E HN 0.456 nan 8.360 nan 0.000 0.396 226 Q N 4.024 123.761 119.800 -0.104 0.000 2.398 226 Q HA -0.176 4.164 4.340 0.000 0.000 0.367 226 Q C -1.912 174.020 176.000 -0.114 0.000 1.337 226 Q CA 0.684 56.433 55.803 -0.091 0.000 1.130 226 Q CB -0.240 28.440 28.738 -0.096 0.000 1.320 226 Q HN 0.498 nan 8.270 nan 0.000 0.352 227 P HA -0.124 nan 4.420 nan 0.000 0.218 227 P C 0.488 177.795 177.300 0.012 0.000 1.149 227 P CA 1.676 64.719 63.100 -0.095 0.000 0.817 227 P CB 0.045 31.813 31.700 0.113 0.000 0.785 228 V N -3.785 116.160 119.914 0.052 0.000 3.166 228 V HA 0.619 4.739 4.120 0.000 0.000 0.317 228 V C 0.422 176.522 176.094 0.010 0.000 1.136 228 V CA -1.279 61.066 62.300 0.075 0.000 1.035 228 V CB 0.980 32.865 31.823 0.103 0.000 1.110 228 V HN -0.012 nan 8.190 nan 0.000 0.450 229 S N 0.596 116.305 115.700 0.016 0.000 2.573 229 S HA 0.399 4.869 4.470 0.000 0.000 0.277 229 S C 1.336 175.897 174.600 -0.066 0.000 1.346 229 S CA 0.138 58.312 58.200 -0.043 0.000 1.034 229 S CB 0.874 64.071 63.200 -0.005 0.000 0.879 229 S HN 1.745 nan 8.310 nan 0.000 0.528 230 A N 3.042 125.766 122.820 -0.160 0.000 2.209 230 A HA 0.054 4.374 4.320 0.000 0.000 0.212 230 A C 1.409 178.958 177.584 -0.058 0.000 1.158 230 A CA 0.991 52.948 52.037 -0.133 0.000 0.742 230 A CB -0.826 18.073 19.000 -0.168 0.000 0.790 230 A HN 1.010 nan 8.150 nan 0.000 0.472 231 H N -1.838 117.225 119.070 -0.011 0.000 2.551 231 H HA 0.054 4.610 4.556 0.000 0.000 0.266 231 H C -0.107 175.221 175.328 -0.001 0.000 0.977 231 H CA 0.370 56.413 56.048 -0.007 0.000 1.163 231 H CB 0.470 30.230 29.762 -0.004 0.000 1.381 231 H HN 0.304 nan 8.280 nan 0.000 0.581 232 D N -0.514 119.948 120.400 0.103 0.000 2.739 232 D HA 0.069 4.709 4.640 0.000 0.000 0.335 232 D C 0.132 176.458 176.300 0.044 0.000 1.216 232 D CA -0.141 53.901 54.000 0.071 0.000 0.808 232 D CB -0.379 40.465 40.800 0.074 0.000 1.121 232 D HN 0.240 nan 8.370 nan 0.000 0.499 233 N N -0.019 118.697 118.700 0.027 0.000 2.289 233 N HA -0.159 4.582 4.740 0.000 0.000 0.184 233 N C 1.777 177.312 175.510 0.041 0.000 1.016 233 N CA 0.851 53.906 53.050 0.009 0.000 0.872 233 N CB 0.377 38.855 38.487 -0.016 0.000 0.973 233 N HN 0.259 nan 8.380 nan 0.000 0.433 234 A N 1.342 124.189 122.820 0.044 0.000 1.908 234 A HA -0.098 4.222 4.320 0.000 0.000 0.218 234 A C 2.342 179.963 177.584 0.061 0.000 1.181 234 A CA 1.775 53.842 52.037 0.050 0.000 0.627 234 A CB -0.725 18.299 19.000 0.040 0.000 0.818 234 A HN 0.357 nan 8.150 nan 0.000 0.445 235 A N -0.725 122.132 122.820 0.062 0.000 1.898 235 A HA 0.022 4.342 4.320 0.000 0.000 0.216 235 A C 2.119 179.758 177.584 0.091 0.000 1.181 235 A CA 1.606 53.685 52.037 0.070 0.000 0.620 235 A CB -0.597 18.445 19.000 0.070 0.000 0.819 235 A HN 0.639 nan 8.150 nan 0.000 0.442 236 L N -0.047 121.236 121.223 0.099 0.000 2.046 236 L HA -0.123 4.217 4.340 0.000 0.000 0.208 236 L C 2.387 179.399 176.870 0.237 0.000 1.077 236 L CA 1.816 56.744 54.840 0.147 0.000 0.747 236 L CB -0.414 41.699 42.059 0.091 0.000 0.896 236 L HN 0.162 nan 8.230 nan 0.000 0.432 237 V N -0.179 119.862 119.914 0.212 0.000 2.295 237 V HA -0.290 3.830 4.120 0.000 0.000 0.246 237 V C 2.745 178.908 176.094 0.115 0.000 1.049 237 V CA 2.097 64.531 62.300 0.223 0.000 1.024 237 V CB -0.725 31.192 31.823 0.158 0.000 0.648 237 V HN 0.529 nan 8.190 nan 0.000 0.447 238 R N -0.140 120.411 120.500 0.085 0.000 2.083 238 R HA -0.169 4.171 4.340 0.000 0.000 0.237 238 R C 2.309 178.636 176.300 0.043 0.000 1.137 238 R CA 1.826 57.957 56.100 0.052 0.000 0.951 238 R CB -0.359 29.969 30.300 0.046 0.000 0.851 238 R HN 0.444 nan 8.270 nan 0.000 0.434 239 L N 0.654 121.916 121.223 0.064 0.000 2.046 239 L HA -0.180 4.160 4.340 0.000 0.000 0.208 239 L C 2.698 179.582 176.870 0.024 0.000 1.077 239 L CA 1.696 56.570 54.840 0.056 0.000 0.747 239 L CB -0.530 41.583 42.059 0.089 0.000 0.896 239 L HN 0.394 nan 8.230 nan 0.000 0.432 240 S N -0.821 114.889 115.700 0.017 0.000 2.442 240 S HA -0.233 4.237 4.470 0.000 0.000 0.236 240 S C 1.778 176.307 174.600 -0.119 0.000 1.007 240 S CA 1.086 59.218 58.200 -0.113 0.000 0.965 240 S CB -0.279 62.717 63.200 -0.341 0.000 0.773 240 S HN 0.535 nan 8.310 nan 0.000 0.504 241 Q N 0.521 120.286 119.800 -0.059 0.000 2.376 241 Q HA 0.061 4.401 4.340 0.000 0.000 0.206 241 Q C 2.326 178.308 176.000 -0.029 0.000 0.921 241 Q CA 0.952 56.725 55.803 -0.049 0.000 0.911 241 Q CB 0.019 28.741 28.738 -0.026 0.000 1.032 241 Q HN 0.964 nan 8.270 nan 0.000 0.510 242 Q N -0.670 119.120 119.800 -0.016 0.000 2.391 242 Q HA 0.141 4.481 4.340 0.000 0.000 0.243 242 Q C 0.389 176.385 176.000 -0.006 0.000 0.874 242 Q CA -0.134 55.664 55.803 -0.008 0.000 0.950 242 Q CB 0.547 29.285 28.738 0.000 0.000 1.103 242 Q HN 0.089 nan 8.270 nan 0.000 0.544 243 I N 3.368 123.935 120.570 -0.005 0.000 2.496 243 I HA 0.025 4.195 4.170 0.000 0.000 0.285 243 I C 0.481 176.595 176.117 -0.006 0.000 1.080 243 I CA 0.176 61.477 61.300 0.002 0.000 1.404 243 I CB 1.011 39.020 38.000 0.015 0.000 1.403 243 I HN 0.299 nan 8.210 nan 0.000 0.539 244 E N 3.840 124.041 120.200 0.002 0.000 2.424 244 E HA 0.104 4.454 4.350 0.000 0.000 0.237 244 E C 0.131 176.738 176.600 0.011 0.000 1.381 244 E CA 0.023 56.425 56.400 0.004 0.000 1.587 244 E CB 0.187 29.892 29.700 0.007 0.000 1.398 244 E HN 0.571 nan 8.360 nan 0.000 0.439 245 T N -0.760 113.797 114.554 0.004 0.000 2.749 245 T HA 0.457 4.807 4.350 0.000 0.000 0.310 245 T C -1.486 173.199 174.700 -0.024 0.000 1.496 245 T CA -0.517 61.589 62.100 0.011 0.000 1.006 245 T CB 1.260 70.138 68.868 0.017 0.000 1.457 245 T HN 0.138 nan 8.240 nan 0.000 0.497 246 A N 2.584 125.381 122.820 -0.038 0.000 2.407 246 A HA 0.633 4.953 4.320 0.000 0.000 0.248 246 A C -0.192 177.262 177.584 -0.217 0.000 1.082 246 A CA -0.282 51.673 52.037 -0.137 0.000 0.785 246 A CB -0.087 18.799 19.000 -0.190 0.000 1.020 246 A HN 0.617 nan 8.150 nan 0.000 0.489 247 I N 2.306 122.758 120.570 -0.197 0.000 2.441 247 I HA 0.330 4.500 4.170 0.000 0.000 0.295 247 I C -0.284 175.797 176.117 -0.060 0.000 0.994 247 I CA -0.430 60.811 61.300 -0.099 0.000 1.144 247 I CB 1.359 39.383 38.000 0.040 0.000 1.314 247 I HN 0.533 nan 8.210 nan 0.000 0.445 248 L N 5.397 126.553 121.223 -0.112 0.000 2.305 248 L HA 0.625 4.965 4.340 0.000 0.000 0.284 248 L C -0.080 176.778 176.870 -0.019 0.000 1.013 248 L CA -0.516 54.246 54.840 -0.131 0.000 0.819 248 L CB 1.644 43.465 42.059 -0.397 0.000 1.227 248 L HN 0.742 nan 8.230 nan 0.000 0.417 249 A N 3.341 126.190 122.820 0.048 0.000 2.328 249 A HA 0.371 4.691 4.320 0.000 0.000 0.284 249 A C -0.160 177.360 177.584 -0.106 0.000 1.160 249 A CA -0.403 51.560 52.037 -0.122 0.000 0.818 249 A CB 1.004 19.765 19.000 -0.400 0.000 1.087 249 A HN 0.833 nan 8.150 nan 0.000 0.504 250 D N 1.050 121.381 120.400 -0.115 0.000 3.013 250 D HA 0.038 4.678 4.640 0.000 0.000 0.235 250 D C 1.282 177.526 176.300 -0.095 0.000 1.540 250 D CA 0.443 54.398 54.000 -0.076 0.000 1.303 250 D CB -0.117 40.658 40.800 -0.041 0.000 0.980 250 D HN 0.404 nan 8.370 nan 0.000 0.250 251 E N 0.355 120.508 120.200 -0.077 0.000 2.209 251 E HA 0.009 4.359 4.350 0.000 0.000 0.196 251 E C 1.733 178.267 176.600 -0.109 0.000 0.993 251 E CA 1.126 57.484 56.400 -0.071 0.000 0.819 251 E CB -0.352 29.308 29.700 -0.067 0.000 0.745 251 E HN 0.356 nan 8.360 nan 0.000 0.477 252 A N 0.093 122.820 122.820 -0.156 0.000 2.121 252 A HA 0.020 4.340 4.320 0.000 0.000 0.218 252 A C 0.893 178.331 177.584 -0.244 0.000 1.154 252 A CA 0.602 52.525 52.037 -0.190 0.000 0.679 252 A CB 0.353 19.212 19.000 -0.237 0.000 0.795 252 A HN 0.121 nan 8.150 nan 0.000 0.458 253 V N -1.428 118.318 119.914 -0.280 0.000 2.524 253 V HA 0.665 4.786 4.120 0.000 0.000 0.297 253 V C 0.216 176.188 176.094 -0.204 0.000 1.035 253 V CA 0.049 62.142 62.300 -0.345 0.000 0.867 253 V CB 1.276 32.641 31.823 -0.764 0.000 1.004 253 V HN 0.396 nan 8.190 nan 0.000 0.426 254 A N 4.824 127.577 122.820 -0.111 0.000 1.995 254 A HA 0.488 4.808 4.320 0.000 0.000 0.200 254 A C 1.076 178.657 177.584 -0.006 0.000 1.566 254 A CA 0.945 52.962 52.037 -0.033 0.000 0.895 254 A CB 0.088 19.099 19.000 0.018 0.000 1.046 254 A HN 1.063 nan 8.150 nan 0.000 0.523 255 T N -4.022 110.545 114.554 0.021 0.000 2.937 255 T HA 0.642 4.992 4.350 0.000 0.000 0.283 255 T C 1.160 175.868 174.700 0.012 0.000 1.012 255 T CA 0.102 62.234 62.100 0.053 0.000 0.997 255 T CB 1.446 70.420 68.868 0.176 0.000 1.136 255 T HN 0.676 nan 8.240 nan 0.000 0.551 256 A N -0.393 122.390 122.820 -0.062 0.000 1.972 256 A HA 0.058 4.378 4.320 0.000 0.000 0.219 256 A C 1.967 179.508 177.584 -0.072 0.000 1.169 256 A CA 1.059 53.033 52.037 -0.105 0.000 0.635 256 A CB -1.372 17.492 19.000 -0.227 0.000 0.810 256 A HN 0.887 nan 8.150 nan 0.000 0.446 257 Y N 0.628 120.972 120.300 0.073 0.000 2.145 257 Y HA -0.203 4.347 4.550 0.000 0.000 0.286 257 Y C 2.305 178.266 175.900 0.102 0.000 1.145 257 Y CA 1.272 59.431 58.100 0.099 0.000 1.148 257 Y CB -0.307 38.189 38.460 0.060 0.000 0.981 257 Y HN 0.273 nan 8.280 nan 0.000 0.507 258 D N -0.411 120.103 120.400 0.189 0.000 2.117 258 D HA -0.149 4.491 4.640 0.000 0.000 0.197 258 D C 2.396 178.682 176.300 -0.024 0.000 0.987 258 D CA 1.496 55.524 54.000 0.047 0.000 0.829 258 D CB -0.886 39.887 40.800 -0.045 0.000 0.961 258 D HN 0.447 nan 8.370 nan 0.000 0.460 259 G N -0.104 108.679 108.800 -0.030 0.000 2.440 259 G HA2 -0.320 3.640 3.960 0.000 0.000 0.218 259 G HA3 -0.320 3.640 3.960 0.000 0.000 0.218 259 G C 1.605 176.637 174.900 0.221 0.000 1.154 259 G CA 0.843 45.956 45.100 0.023 0.000 0.767 259 G HN 0.323 nan 8.290 nan 0.000 0.552 260 Y N 1.094 121.463 120.300 0.115 0.000 2.163 260 Y HA -0.065 4.485 4.550 -0.000 0.000 0.288 260 Y C 3.011 178.980 175.900 0.116 0.000 1.136 260 Y CA 2.079 60.250 58.100 0.118 0.000 1.147 260 Y CB -0.353 38.157 38.460 0.084 0.000 0.987 260 Y HN 0.293 nan 8.280 nan 0.000 0.509 261 Q N -0.353 119.416 119.800 -0.051 0.000 2.061 261 Q HA -0.219 4.121 4.340 0.000 0.000 0.204 261 Q C 2.216 178.139 176.000 -0.127 0.000 0.984 261 Q CA 1.933 57.667 55.803 -0.116 0.000 0.846 261 Q CB -0.469 28.303 28.738 0.057 0.000 0.902 261 Q HN 0.497 nan 8.270 nan 0.000 0.421 262 L N 0.585 121.776 121.223 -0.054 0.000 2.046 262 L HA -0.139 4.201 4.340 0.000 0.000 0.208 262 L C 2.144 179.066 176.870 0.087 0.000 1.077 262 L CA 2.061 56.895 54.840 -0.010 0.000 0.747 262 L CB -0.796 41.205 42.059 -0.097 0.000 0.896 262 L HN 0.151 nan 8.230 nan 0.000 0.432 263 A N -1.106 121.773 122.820 0.097 0.000 1.877 263 A HA -0.254 4.066 4.320 0.000 0.000 0.216 263 A C 2.268 179.825 177.584 -0.045 0.000 1.186 263 A CA 1.663 53.759 52.037 0.098 0.000 0.620 263 A CB -0.800 18.251 19.000 0.084 0.000 0.822 263 A HN 0.606 nan 8.150 nan 0.000 0.443 264 Q N -0.150 119.498 119.800 -0.254 0.000 2.170 264 Q HA -0.237 4.103 4.340 0.000 0.000 0.203 264 Q C 1.964 177.908 176.000 -0.093 0.000 0.976 264 Q CA 2.092 57.744 55.803 -0.252 0.000 0.858 264 Q CB -0.298 28.123 28.738 -0.528 0.000 0.907 264 Q HN 0.811 nan 8.270 nan 0.000 0.433 265 Q N -1.155 118.612 119.800 -0.056 0.000 2.364 265 Q HA -0.047 4.293 4.340 0.000 0.000 0.207 265 Q C 0.528 176.552 176.000 0.039 0.000 0.970 265 Q CA 1.017 56.822 55.803 0.005 0.000 0.888 265 Q CB 0.094 28.846 28.738 0.023 0.000 0.951 265 Q HN 0.648 nan 8.270 nan 0.000 0.469 266 G N -0.280 108.553 108.800 0.055 0.000 2.192 266 G HA2 -0.254 3.706 3.960 0.000 0.000 0.193 266 G HA3 -0.254 3.706 3.960 0.000 0.000 0.193 266 G C -0.258 174.691 174.900 0.083 0.000 0.999 266 G CA -0.194 44.937 45.100 0.053 0.000 0.659 266 G HN 0.344 nan 8.290 nan 0.000 0.503 267 F N 2.506 122.458 119.950 0.005 0.000 2.572 267 F HA 0.567 5.094 4.527 0.000 0.000 0.370 267 F C 0.530 176.330 175.800 -0.001 0.000 1.103 267 F CA 1.145 59.158 58.000 0.021 0.000 1.286 267 F CB 1.315 40.359 39.000 0.073 0.000 1.105 267 F HN 0.073 nan 8.300 nan 0.000 0.583 268 T N 4.602 118.614 114.554 -0.903 0.000 2.879 268 T HA 0.709 5.059 4.350 0.000 0.000 0.290 268 T C -0.198 173.905 174.700 -0.995 0.000 0.993 268 T CA 0.257 61.951 62.100 -0.676 0.000 0.975 268 T CB 0.761 69.435 68.868 -0.323 0.000 0.981 268 T HN 1.199 nan 8.240 nan 0.000 0.439 269 G N 2.879 111.315 108.800 -0.606 0.000 2.530 269 G HA2 0.550 4.510 3.960 0.000 0.000 0.081 269 G HA3 0.550 4.510 3.960 0.000 0.000 0.081 269 G C -1.059 173.806 174.900 -0.057 0.000 1.062 269 G CA 0.132 45.025 45.100 -0.346 0.000 1.108 269 G HN 1.313 nan 8.290 nan 0.000 0.466 270 A N -1.394 121.473 122.820 0.079 0.000 2.566 270 A HA 0.821 5.141 4.320 0.000 0.000 0.292 270 A C -1.947 175.782 177.584 0.242 0.000 1.112 270 A CA -0.528 51.549 52.037 0.066 0.000 0.707 270 A CB 1.466 20.403 19.000 -0.105 0.000 1.302 270 A HN 1.063 nan 8.150 nan 0.000 0.409 271 Y N -0.086 120.269 120.300 0.092 0.000 2.377 271 Y HA 0.628 5.178 4.550 0.001 0.000 0.339 271 Y C 0.613 176.535 175.900 0.036 0.000 1.011 271 Y CA -1.449 56.667 58.100 0.027 0.000 1.093 271 Y CB 1.926 40.399 38.460 0.023 0.000 1.201 271 Y HN 0.820 nan 8.280 nan 0.000 0.455 272 A N 5.457 128.388 122.820 0.185 0.000 2.666 272 A HA 0.485 4.806 4.320 0.000 0.000 0.312 272 A C -0.283 177.343 177.584 0.071 0.000 1.471 272 A CA -0.490 51.668 52.037 0.203 0.000 1.134 272 A CB -0.992 18.122 19.000 0.189 0.000 1.129 272 A HN 0.762 nan 8.150 nan 0.000 0.539 273 L N 2.118 123.320 121.223 -0.035 0.000 2.453 273 L HA 0.274 4.614 4.340 0.000 0.000 0.272 273 L C 0.377 177.284 176.870 0.062 0.000 1.182 273 L CA 0.445 55.258 54.840 -0.045 0.000 0.858 273 L CB 0.447 42.375 42.059 -0.219 0.000 1.120 273 L HN 0.584 nan 8.230 nan 0.000 0.474 274 K N 3.311 123.838 120.400 0.210 0.000 2.553 274 K HA 0.257 4.578 4.320 0.000 0.000 0.250 274 K C 0.792 177.470 176.600 0.130 0.000 0.953 274 K CA -0.570 55.852 56.287 0.226 0.000 0.800 274 K CB 2.403 34.933 32.500 0.049 0.000 1.243 274 K HN 0.579 nan 8.250 nan 0.000 0.435 275 I N -0.437 120.170 120.570 0.062 0.000 2.361 275 I HA -0.194 3.976 4.170 0.000 0.000 0.251 275 I C 1.837 177.850 176.117 -0.173 0.000 1.133 275 I CA 1.570 62.823 61.300 -0.079 0.000 1.413 275 I CB -0.206 37.681 38.000 -0.187 0.000 1.073 275 I HN 0.592 nan 8.210 nan 0.000 0.424 276 A N 1.898 124.525 122.820 -0.322 0.000 1.902 276 A HA -0.169 4.151 4.320 0.000 0.000 0.217 276 A C 2.401 179.634 177.584 -0.587 0.000 1.181 276 A CA 1.837 53.441 52.037 -0.722 0.000 0.623 276 A CB -0.523 17.687 19.000 -1.316 0.000 0.818 276 A HN 0.516 nan 8.150 nan 0.000 0.443 277 K N -0.648 119.581 120.400 -0.286 0.000 2.155 277 K HA 0.058 4.379 4.320 0.000 0.000 0.203 277 K C 2.096 178.696 176.600 -0.000 0.000 1.052 277 K CA 1.018 57.272 56.287 -0.055 0.000 0.948 277 K CB -0.165 32.334 32.500 -0.002 0.000 0.728 277 K HN 0.436 nan 8.250 nan 0.000 0.448 278 A N 0.118 122.930 122.820 -0.014 0.000 2.044 278 A HA 0.212 4.532 4.320 0.000 0.000 0.213 278 A C 1.379 178.971 177.584 0.014 0.000 1.169 278 A CA 1.021 53.069 52.037 0.018 0.000 0.724 278 A CB 0.183 19.203 19.000 0.034 0.000 0.840 278 A HN 0.380 nan 8.150 nan 0.000 0.463 279 G N -2.688 106.101 108.800 -0.018 0.000 2.148 279 G HA2 0.443 4.403 3.960 0.000 0.000 0.157 279 G HA3 0.443 4.403 3.960 0.000 0.000 0.157 279 G C 0.838 175.723 174.900 -0.026 0.000 1.012 279 G CA 0.188 45.284 45.100 -0.007 0.000 0.677 279 G HN 2.279 nan 8.290 nan 0.000 0.506 280 G N -1.546 107.221 108.800 -0.055 0.000 2.340 280 G HA2 0.439 4.399 3.960 0.000 0.000 0.527 280 G HA3 0.439 4.399 3.960 0.000 0.000 0.527 280 G C -1.644 173.207 174.900 -0.082 0.000 1.381 280 G CA 0.174 45.232 45.100 -0.069 0.000 1.001 280 G HN 0.251 nan 8.290 nan 0.000 0.626 281 P HA -0.071 nan 4.420 nan 0.000 0.218 281 P C 1.465 178.721 177.300 -0.073 0.000 1.148 281 P CA 1.531 64.543 63.100 -0.146 0.000 0.822 281 P CB 0.171 31.776 31.700 -0.158 0.000 0.784 282 N N -1.359 117.312 118.700 -0.047 0.000 2.278 282 N HA -0.058 4.682 4.740 0.000 0.000 0.181 282 N C 1.642 177.151 175.510 -0.001 0.000 1.023 282 N CA 0.762 53.800 53.050 -0.019 0.000 0.862 282 N CB -0.050 38.425 38.487 -0.021 0.000 1.003 282 N HN -0.088 nan 8.380 nan 0.000 0.431 283 S N 0.587 116.284 115.700 -0.005 0.000 2.387 283 S HA -0.115 4.355 4.470 0.000 0.000 0.230 283 S C 1.897 176.511 174.600 0.023 0.000 1.035 283 S CA 0.782 58.985 58.200 0.006 0.000 1.014 283 S CB -0.380 62.823 63.200 0.006 0.000 0.836 283 S HN 0.283 nan 8.310 nan 0.000 0.466 284 V N 2.026 121.964 119.914 0.040 0.000 2.626 284 V HA -0.076 4.044 4.120 0.000 0.000 0.252 284 V C 1.722 177.887 176.094 0.120 0.000 1.067 284 V CA 1.263 63.622 62.300 0.097 0.000 1.081 284 V CB -0.498 31.428 31.823 0.171 0.000 0.686 284 V HN 0.476 nan 8.190 nan 0.000 0.468 285 L N 0.078 121.357 121.223 0.093 0.000 2.131 285 L HA -0.114 4.226 4.340 0.000 0.000 0.210 285 L C 2.770 179.679 176.870 0.066 0.000 1.092 285 L CA 1.467 56.363 54.840 0.093 0.000 0.759 285 L CB -0.929 41.170 42.059 0.066 0.000 0.903 285 L HN 0.425 nan 8.230 nan 0.000 0.435 286 A N 0.156 122.998 122.820 0.036 0.000 1.902 286 A HA -0.203 4.117 4.320 0.000 0.000 0.217 286 A C 2.330 179.931 177.584 0.028 0.000 1.181 286 A CA 1.407 53.449 52.037 0.009 0.000 0.623 286 A CB -0.678 18.300 19.000 -0.037 0.000 0.818 286 A HN 0.380 nan 8.150 nan 0.000 0.443 287 L N -0.741 120.509 121.223 0.046 0.000 2.046 287 L HA -0.198 4.142 4.340 0.000 0.000 0.208 287 L C 2.890 179.843 176.870 0.138 0.000 1.077 287 L CA 1.553 56.444 54.840 0.085 0.000 0.747 287 L CB -0.522 41.589 42.059 0.085 0.000 0.896 287 L HN 0.447 nan 8.230 nan 0.000 0.432 288 A N -0.162 122.735 122.820 0.127 0.000 1.902 288 A HA -0.215 4.105 4.320 0.000 0.000 0.217 288 A C 2.169 179.810 177.584 0.096 0.000 1.181 288 A CA 1.305 53.417 52.037 0.124 0.000 0.623 288 A CB -0.431 18.645 19.000 0.127 0.000 0.818 288 A HN 0.366 nan 8.150 nan 0.000 0.443 289 R N -0.401 120.146 120.500 0.078 0.000 2.092 289 R HA -0.041 4.299 4.340 0.000 0.000 0.231 289 R C 2.093 178.434 176.300 0.068 0.000 1.119 289 R CA 1.307 57.443 56.100 0.060 0.000 0.970 289 R CB -1.464 28.862 30.300 0.042 0.000 0.864 289 R HN 0.437 nan 8.270 nan 0.000 0.440 290 V N 1.396 121.362 119.914 0.088 0.000 2.295 290 V HA -0.210 3.910 4.120 0.000 0.000 0.246 290 V C 2.548 178.720 176.094 0.130 0.000 1.049 290 V CA 1.832 64.204 62.300 0.121 0.000 1.024 290 V CB -0.927 30.988 31.823 0.155 0.000 0.648 290 V HN 0.300 nan 8.190 nan 0.000 0.447 291 A N -0.642 122.258 122.820 0.135 0.000 1.883 291 A HA -0.321 3.999 4.320 0.000 0.000 0.217 291 A C 2.180 179.763 177.584 -0.002 0.000 1.186 291 A CA 2.183 54.239 52.037 0.032 0.000 0.624 291 A CB -0.564 18.443 19.000 0.012 0.000 0.822 291 A HN 0.635 nan 8.150 nan 0.000 0.444 292 Q N -0.796 119.021 119.800 0.027 0.000 2.084 292 Q HA -0.127 4.213 4.340 0.000 0.000 0.202 292 Q C 2.416 178.430 176.000 0.023 0.000 0.978 292 Q CA 1.386 57.200 55.803 0.019 0.000 0.844 292 Q CB -0.414 28.341 28.738 0.028 0.000 0.898 292 Q HN 0.697 nan 8.270 nan 0.000 0.426 293 A N 0.973 123.817 122.820 0.041 0.000 1.972 293 A HA -0.073 4.247 4.320 0.000 0.000 0.219 293 A C 2.107 179.719 177.584 0.047 0.000 1.169 293 A CA 1.585 53.650 52.037 0.047 0.000 0.635 293 A CB -0.450 18.589 19.000 0.065 0.000 0.810 293 A HN 0.374 nan 8.150 nan 0.000 0.446 294 A N -2.006 120.842 122.820 0.047 0.000 2.275 294 A HA 0.441 4.761 4.320 0.000 0.000 0.212 294 A C 1.646 179.229 177.584 -0.002 0.000 1.201 294 A CA 1.062 53.120 52.037 0.036 0.000 0.843 294 A CB -0.810 18.221 19.000 0.052 0.000 0.873 294 A HN 1.874 nan 8.150 nan 0.000 0.492 295 G N -0.512 108.281 108.800 -0.011 0.000 2.147 295 G HA2 -0.183 3.777 3.960 0.000 0.000 0.244 295 G HA3 -0.183 3.777 3.960 0.000 0.000 0.244 295 G C -0.072 174.796 174.900 -0.053 0.000 1.005 295 G CA 0.198 45.283 45.100 -0.025 0.000 0.713 295 G HN 0.306 nan 8.290 nan 0.000 0.515 296 I N 1.532 122.045 120.570 -0.095 0.000 2.365 296 I HA 0.475 4.646 4.170 0.000 0.000 0.291 296 I C 1.444 177.502 176.117 -0.098 0.000 1.004 296 I CA -0.230 60.962 61.300 -0.179 0.000 1.311 296 I CB 0.638 38.341 38.000 -0.495 0.000 1.401 296 I HN 0.147 nan 8.210 nan 0.000 0.491 297 G N 6.534 115.339 108.800 0.008 0.000 2.606 297 G HA2 0.500 4.460 3.960 0.000 0.000 0.252 297 G HA3 0.500 4.460 3.960 0.000 0.000 0.252 297 G C -0.388 174.607 174.900 0.159 0.000 1.206 297 G CA -0.524 44.662 45.100 0.143 0.000 0.861 297 G HN 0.515 nan 8.290 nan 0.000 0.561 298 L N -0.231 121.114 121.223 0.203 0.000 2.333 298 L HA 0.549 4.889 4.340 0.000 0.000 0.269 298 L C -1.065 175.960 176.870 0.257 0.000 1.010 298 L CA -1.068 53.869 54.840 0.162 0.000 0.818 298 L CB 2.272 44.360 42.059 0.049 0.000 1.306 298 L HN 0.571 nan 8.230 nan 0.000 0.430 299 Y N 0.171 120.442 120.300 -0.049 0.000 2.433 299 Y HA 0.595 5.145 4.550 0.000 0.000 0.337 299 Y C 0.046 175.674 175.900 -0.454 0.000 1.026 299 Y CA -0.959 57.074 58.100 -0.113 0.000 1.037 299 Y CB 2.189 40.637 38.460 -0.020 0.000 1.245 299 Y HN 0.536 nan 8.280 nan 0.000 0.443 300 G N 3.522 111.699 108.800 -1.038 0.000 2.444 300 G HA2 0.453 4.413 3.960 0.000 0.000 0.303 300 G HA3 0.453 4.413 3.960 0.000 0.000 0.303 300 G C 0.141 174.448 174.900 -0.988 0.000 1.032 300 G CA 0.072 44.188 45.100 -1.640 0.000 1.137 300 G HN 0.970 nan 8.290 nan 0.000 0.430 301 G N 0.396 108.859 108.800 -0.563 0.000 2.528 301 G HA2 0.587 4.547 3.960 0.000 0.000 0.289 301 G HA3 0.587 4.547 3.960 0.000 0.000 0.289 301 G C -0.429 174.490 174.900 0.032 0.000 1.192 301 G CA -0.240 44.739 45.100 -0.200 0.000 0.921 301 G HN 0.685 nan 8.290 nan 0.000 0.512 302 T N -0.574 113.950 114.554 -0.050 0.000 2.883 302 T HA 0.455 4.805 4.350 0.000 0.000 0.301 302 T C 0.148 174.792 174.700 -0.093 0.000 1.158 302 T CA -0.689 61.363 62.100 -0.079 0.000 1.007 302 T CB 1.459 70.198 68.868 -0.215 0.000 1.186 302 T HN 0.193 nan 8.240 nan 0.000 0.499 303 M N 3.216 122.766 119.600 -0.085 0.000 2.484 303 M HA 0.409 4.889 4.480 0.000 0.000 0.307 303 M C 0.318 176.581 176.300 -0.062 0.000 1.149 303 M CA 0.149 55.426 55.300 -0.039 0.000 0.972 303 M CB -0.814 31.802 32.600 0.028 0.000 1.400 303 M HN 0.702 nan 8.290 nan 0.000 0.508 304 L N 0.467 121.604 121.223 -0.143 0.000 3.600 304 L HA -0.233 4.107 4.340 0.000 0.000 0.424 304 L C -0.326 176.496 176.870 -0.080 0.000 1.260 304 L CA 0.083 54.831 54.840 -0.155 0.000 0.883 304 L CB -1.839 40.155 42.059 -0.108 0.000 1.895 304 L HN 0.278 nan 8.230 nan 0.000 0.827 305 E N 0.293 120.450 120.200 -0.072 0.000 2.408 305 E HA 0.411 4.761 4.350 0.000 0.000 0.259 305 E C 1.069 177.658 176.600 -0.019 0.000 1.110 305 E CA 0.777 57.157 56.400 -0.033 0.000 0.929 305 E CB 0.496 30.172 29.700 -0.040 0.000 0.971 305 E HN 0.280 nan 8.360 nan 0.000 0.438 306 G N 0.223 109.023 108.800 -0.000 0.000 2.485 306 G HA2 -0.017 3.943 3.960 0.000 0.000 0.260 306 G HA3 -0.017 3.943 3.960 0.000 0.000 0.260 306 G C 0.778 175.697 174.900 0.031 0.000 1.459 306 G CA 0.023 45.130 45.100 0.013 0.000 1.060 306 G HN 0.497 nan 8.290 nan 0.000 0.546 307 T N -0.424 114.156 114.554 0.044 0.000 2.746 307 T HA -0.136 4.215 4.350 0.000 0.000 0.267 307 T C 2.585 177.302 174.700 0.028 0.000 1.039 307 T CA 1.403 63.538 62.100 0.057 0.000 1.142 307 T CB -0.280 68.623 68.868 0.059 0.000 0.866 307 T HN 0.132 nan 8.240 nan 0.000 0.444 308 V N 1.465 121.390 119.914 0.018 0.000 2.220 308 V HA -0.136 3.984 4.120 0.000 0.000 0.246 308 V C 2.911 178.999 176.094 -0.010 0.000 1.049 308 V CA 2.155 64.460 62.300 0.008 0.000 1.003 308 V CB -1.444 30.388 31.823 0.014 0.000 0.634 308 V HN 0.588 nan 8.190 nan 0.000 0.444 309 G N -0.913 107.878 108.800 -0.016 0.000 2.442 309 G HA2 -0.244 3.716 3.960 0.000 0.000 0.219 309 G HA3 -0.244 3.716 3.960 0.000 0.000 0.219 309 G C 1.684 176.539 174.900 -0.074 0.000 1.141 309 G CA 1.576 46.647 45.100 -0.047 0.000 0.763 309 G HN 0.479 nan 8.290 nan 0.000 0.554 310 T N 0.118 114.648 114.554 -0.041 0.000 2.737 310 T HA -0.101 4.249 4.350 0.000 0.000 0.265 310 T C 2.348 177.003 174.700 -0.075 0.000 1.038 310 T CA 1.185 63.262 62.100 -0.038 0.000 1.144 310 T CB -0.298 68.595 68.868 0.041 0.000 0.866 310 T HN 0.062 nan 8.240 nan 0.000 0.434 311 V N 1.282 121.168 119.914 -0.046 0.000 2.548 311 V HA -0.005 4.115 4.120 0.000 0.000 0.249 311 V C 2.593 178.678 176.094 -0.015 0.000 1.055 311 V CA 1.596 63.863 62.300 -0.054 0.000 1.065 311 V CB -0.880 30.943 31.823 0.000 0.000 0.681 311 V HN 0.499 nan 8.190 nan 0.000 0.462 312 A N -0.627 122.167 122.820 -0.044 0.000 1.902 312 A HA -0.190 4.130 4.320 0.000 0.000 0.217 312 A C 2.454 179.882 177.584 -0.259 0.000 1.181 312 A CA 2.401 54.387 52.037 -0.084 0.000 0.623 312 A CB -0.793 18.139 19.000 -0.113 0.000 0.818 312 A HN 0.581 nan 8.150 nan 0.000 0.443 313 S N -0.253 115.200 115.700 -0.412 0.000 2.355 313 S HA -0.098 4.372 4.470 0.000 0.000 0.222 313 S C 1.778 175.675 174.600 -1.172 0.000 1.031 313 S CA 1.304 58.951 58.200 -0.922 0.000 0.993 313 S CB -0.384 62.394 63.200 -0.702 0.000 0.859 313 S HN 0.349 nan 8.310 nan 0.000 0.453 314 L N 1.915 122.778 121.223 -0.600 0.000 2.043 314 L HA -0.137 4.203 4.340 0.000 0.000 0.212 314 L C 2.261 178.951 176.870 -0.300 0.000 1.075 314 L CA 1.743 56.366 54.840 -0.361 0.000 0.752 314 L CB -1.497 40.417 42.059 -0.242 0.000 0.891 314 L HN 0.430 nan 8.230 nan 0.000 0.432 315 H N -1.097 117.825 119.070 -0.248 0.000 2.352 315 H HA -0.088 4.468 4.556 0.000 0.000 0.299 315 H C 2.037 177.279 175.328 -0.143 0.000 1.097 315 H CA 1.570 57.523 56.048 -0.159 0.000 1.311 315 H CB 0.096 29.770 29.762 -0.148 0.000 1.377 315 H HN 0.362 nan 8.280 nan 0.000 0.504 316 A N 0.619 123.346 122.820 -0.156 0.000 1.872 316 A HA -0.135 4.185 4.320 0.000 0.000 0.214 316 A C 2.395 180.074 177.584 0.159 0.000 1.187 316 A CA 0.853 52.834 52.037 -0.094 0.000 0.614 316 A CB -1.237 17.580 19.000 -0.305 0.000 0.826 316 A HN 0.508 nan 8.150 nan 0.000 0.442 317 W N 1.057 122.352 121.300 -0.009 0.000 2.350 317 W HA -0.208 4.452 4.660 0.000 0.000 0.289 317 W C 2.795 179.302 176.519 -0.020 0.000 1.215 317 W CA 0.901 58.234 57.345 -0.020 0.000 1.236 317 W CB -0.233 29.200 29.460 -0.045 0.000 1.130 317 W HN 0.535 nan 8.180 nan 0.000 0.541 318 S N 0.093 115.901 115.700 0.179 0.000 2.419 318 S HA -0.213 4.258 4.470 0.000 0.000 0.233 318 S C 1.613 176.261 174.600 0.081 0.000 1.016 318 S CA 1.668 59.919 58.200 0.085 0.000 0.974 318 S CB -1.141 62.062 63.200 0.005 0.000 0.786 318 S HN 0.309 nan 8.310 nan 0.000 0.492 319 T N -0.535 114.079 114.554 0.100 0.000 3.148 319 T HA 0.416 4.766 4.350 0.000 0.000 0.253 319 T C 0.340 175.090 174.700 0.085 0.000 1.134 319 T CA -0.284 61.864 62.100 0.080 0.000 1.051 319 T CB -0.548 68.365 68.868 0.076 0.000 0.959 319 T HN 0.382 nan 8.240 nan 0.000 0.525 320 L N 1.459 122.747 121.223 0.108 0.000 2.354 320 L HA 0.566 4.907 4.340 0.000 0.000 0.264 320 L C -2.610 174.293 176.870 0.054 0.000 1.008 320 L CA -2.913 51.979 54.840 0.087 0.000 0.819 320 L CB 2.199 44.328 42.059 0.116 0.000 1.339 320 L HN -0.189 nan 8.230 nan 0.000 0.420 321 P HA 0.234 nan 4.420 nan 0.000 0.286 321 P C -1.112 176.186 177.300 -0.004 0.000 1.321 321 P CA -0.083 63.020 63.100 0.004 0.000 0.790 321 P CB 0.633 32.330 31.700 -0.005 0.000 0.897 322 L N 3.963 125.177 121.223 -0.014 0.000 2.297 322 L HA 0.263 4.603 4.340 0.000 0.000 0.277 322 L C 2.051 178.893 176.870 -0.047 0.000 1.040 322 L CA -0.352 54.477 54.840 -0.017 0.000 0.867 322 L CB 1.120 43.153 42.059 -0.043 0.000 1.244 322 L HN 0.413 nan 8.230 nan 0.000 0.433 323 Q N 2.548 122.286 119.800 -0.104 0.000 2.181 323 Q HA -0.170 4.170 4.340 0.000 0.000 0.205 323 Q C 0.815 176.515 176.000 -0.499 0.000 0.980 323 Q CA 2.095 57.692 55.803 -0.343 0.000 0.862 323 Q CB 0.112 28.558 28.738 -0.486 0.000 0.905 323 Q HN 0.719 nan 8.270 nan 0.000 0.429 324 W N 0.228 121.563 121.300 0.058 0.000 3.239 324 W HA 0.387 5.047 4.660 0.000 0.000 0.348 324 W C 0.990 177.639 176.519 0.217 0.000 1.183 324 W CA 0.217 57.632 57.345 0.117 0.000 1.819 324 W CB 0.326 29.841 29.460 0.092 0.000 1.091 324 W HN 0.414 nan 8.180 nan 0.000 0.629 325 G N 1.075 110.006 108.800 0.218 0.000 2.562 325 G HA2 -0.134 3.826 3.960 0.000 0.000 0.250 325 G HA3 -0.134 3.826 3.960 0.000 0.000 0.250 325 G C -0.006 174.883 174.900 -0.018 0.000 1.269 325 G CA 0.169 45.342 45.100 0.122 0.000 0.919 325 G HN 0.395 nan 8.290 nan 0.000 0.574 326 T N -2.664 111.852 114.554 -0.063 0.000 2.865 326 T HA 0.729 5.079 4.350 0.000 0.000 0.294 326 T C 0.071 174.701 174.700 -0.117 0.000 1.119 326 T CA 0.456 62.386 62.100 -0.284 0.000 1.007 326 T CB 2.092 70.911 68.868 -0.082 0.000 1.225 326 T HN 1.545 nan 8.240 nan 0.000 0.515 327 E N 1.224 121.303 120.200 -0.201 0.000 3.385 327 E HA 0.244 4.595 4.350 0.000 0.000 0.206 327 E C -0.127 176.379 176.600 -0.156 0.000 0.997 327 E CA -0.809 55.604 56.400 0.021 0.000 1.278 327 E CB 0.160 29.889 29.700 0.049 0.000 1.165 327 E HN 0.351 nan 8.360 nan 0.000 0.452 328 M N 1.843 121.454 119.600 0.019 0.000 3.706 328 M HA 0.191 4.671 4.480 0.000 0.000 0.204 328 M C -0.237 176.158 176.300 0.157 0.000 1.455 328 M CA -0.383 54.936 55.300 0.030 0.000 1.659 328 M CB -1.577 31.122 32.600 0.166 0.000 1.076 328 M HN 0.370 nan 8.290 nan 0.000 0.577 329 F N -2.427 117.587 119.950 0.107 0.000 2.664 329 F HA 0.504 5.031 4.527 0.000 0.000 0.303 329 F C 1.443 177.214 175.800 -0.048 0.000 1.092 329 F CA -0.619 57.391 58.000 0.017 0.000 1.305 329 F CB -1.192 37.849 39.000 0.067 0.000 1.054 329 F HN 0.300 nan 8.300 nan 0.000 0.565 330 G N 2.317 110.991 108.800 -0.210 0.000 2.574 330 G HA2 -0.275 3.685 3.960 0.000 0.000 0.220 330 G HA3 -0.275 3.685 3.960 0.000 0.000 0.220 330 G C -0.613 174.307 174.900 0.033 0.000 1.173 330 G CA 1.335 46.372 45.100 -0.106 0.000 0.772 330 G HN 0.323 nan 8.290 nan 0.000 0.585 331 P HA -0.014 nan 4.420 nan 0.000 0.218 331 P C 1.841 179.161 177.300 0.034 0.000 1.148 331 P CA 0.637 63.779 63.100 0.071 0.000 0.822 331 P CB -0.135 31.675 31.700 0.183 0.000 0.784 332 L N -1.712 119.497 121.223 -0.023 0.000 2.549 332 L HA -0.059 4.281 4.340 0.000 0.000 0.229 332 L C 1.827 178.800 176.870 0.172 0.000 1.158 332 L CA 0.737 55.588 54.840 0.018 0.000 0.842 332 L CB -0.638 41.421 42.059 -0.001 0.000 0.952 332 L HN 0.025 nan 8.230 nan 0.000 0.452 333 L N -0.417 120.909 121.223 0.172 0.000 2.567 333 L HA 0.161 4.501 4.340 0.000 0.000 0.225 333 L C 0.483 177.404 176.870 0.085 0.000 1.119 333 L CA -0.037 54.897 54.840 0.156 0.000 0.871 333 L CB 0.092 42.229 42.059 0.130 0.000 1.036 333 L HN 0.169 nan 8.230 nan 0.000 0.459 334 L N -0.519 120.738 121.223 0.057 0.000 2.334 334 L HA 0.292 4.632 4.340 0.000 0.000 0.275 334 L C 0.969 177.851 176.870 0.021 0.000 1.036 334 L CA -0.450 54.402 54.840 0.021 0.000 0.807 334 L CB 1.595 43.649 42.059 -0.008 0.000 1.231 334 L HN -0.058 nan 8.230 nan 0.000 0.438 335 K N 0.099 120.505 120.400 0.010 0.000 2.305 335 K HA 0.065 4.385 4.320 0.000 0.000 0.199 335 K C -0.294 176.319 176.600 0.020 0.000 1.047 335 K CA 0.576 56.879 56.287 0.026 0.000 0.976 335 K CB 0.227 32.752 32.500 0.043 0.000 0.765 335 K HN 0.527 nan 8.250 nan 0.000 0.474 336 D N -0.737 119.647 120.400 -0.028 0.000 2.623 336 D HA 0.210 4.850 4.640 0.000 0.000 0.241 336 D C -1.807 174.417 176.300 -0.127 0.000 1.241 336 D CA -0.494 53.483 54.000 -0.038 0.000 0.788 336 D CB 1.846 42.661 40.800 0.026 0.000 1.413 336 D HN -0.208 nan 8.370 nan 0.000 0.429 337 D N -0.161 120.197 120.400 -0.069 0.000 2.714 337 D HA 0.366 5.006 4.640 0.000 0.000 0.278 337 D C 0.255 176.542 176.300 -0.021 0.000 1.102 337 D CA -0.423 53.534 54.000 -0.072 0.000 1.108 337 D CB 1.389 42.183 40.800 -0.010 0.000 1.444 337 D HN 0.303 nan 8.370 nan 0.000 0.568 338 I N -0.593 119.972 120.570 -0.009 0.000 3.889 338 I HA 0.246 4.417 4.170 0.000 0.000 0.332 338 I C 0.155 176.268 176.117 -0.008 0.000 1.493 338 I CA -0.575 60.734 61.300 0.015 0.000 1.158 338 I CB -0.044 37.952 38.000 -0.007 0.000 1.117 338 I HN 0.088 nan 8.210 nan 0.000 0.411 339 V N -2.603 117.313 119.914 0.004 0.000 2.834 339 V HA 0.597 4.717 4.120 0.000 0.000 0.313 339 V C 1.275 177.373 176.094 0.006 0.000 1.060 339 V CA 0.004 62.305 62.300 0.002 0.000 0.989 339 V CB 1.358 33.189 31.823 0.013 0.000 1.041 339 V HN 0.190 nan 8.190 nan 0.000 0.459 340 S N 2.101 117.801 115.700 -0.001 0.000 2.371 340 S HA 0.070 4.540 4.470 0.000 0.000 0.224 340 S C 0.593 175.198 174.600 0.009 0.000 1.029 340 S CA 1.210 59.410 58.200 0.000 0.000 0.978 340 S CB -0.098 63.099 63.200 -0.005 0.000 0.833 340 S HN 0.789 nan 8.310 nan 0.000 0.466 341 V N 3.735 123.656 119.914 0.012 0.000 2.569 341 V HA 0.472 4.592 4.120 0.000 0.000 0.301 341 V C -2.350 173.759 176.094 0.025 0.000 1.044 341 V CA -1.774 60.536 62.300 0.017 0.000 0.874 341 V CB 1.881 33.710 31.823 0.010 0.000 1.002 341 V HN 0.347 nan 8.190 nan 0.000 0.424 342 P HA 0.379 nan 4.420 nan 0.000 0.274 342 P C -0.443 176.889 177.300 0.054 0.000 1.246 342 P CA -0.413 62.728 63.100 0.069 0.000 0.795 342 P CB 1.239 32.998 31.700 0.098 0.000 1.006 343 L N 0.589 121.850 121.223 0.062 0.000 2.472 343 L HA 0.229 4.569 4.340 0.000 0.000 0.260 343 L C 1.186 178.019 176.870 -0.063 0.000 1.209 343 L CA -0.140 54.657 54.840 -0.071 0.000 0.817 343 L CB -0.010 41.913 42.059 -0.226 0.000 1.106 343 L HN 0.489 nan 8.230 nan 0.000 0.479 344 T N -1.243 113.204 114.554 -0.178 0.000 2.743 344 T HA 0.541 4.891 4.350 0.000 0.000 0.292 344 T C -0.651 173.926 174.700 -0.205 0.000 0.972 344 T CA -0.495 61.555 62.100 -0.083 0.000 0.967 344 T CB 0.144 68.980 68.868 -0.052 0.000 0.926 344 T HN 0.162 nan 8.240 nan 0.000 0.459 345 F N 2.286 122.250 119.950 0.023 0.000 2.436 345 F HA 0.740 5.267 4.527 0.000 0.000 0.340 345 F C 0.562 176.370 175.800 0.013 0.000 1.113 345 F CA -0.519 57.499 58.000 0.031 0.000 1.022 345 F CB 1.815 40.848 39.000 0.055 0.000 1.128 345 F HN 1.012 nan 8.300 nan 0.000 0.466 346 A N 2.262 125.177 122.820 0.159 0.000 2.594 346 A HA 0.498 4.819 4.320 0.000 0.000 0.296 346 A C -0.566 177.054 177.584 0.060 0.000 1.056 346 A CA -0.820 51.270 52.037 0.088 0.000 0.693 346 A CB 0.840 19.869 19.000 0.048 0.000 1.278 346 A HN 0.771 nan 8.150 nan 0.000 0.408 347 D N 0.787 121.211 120.400 0.039 0.000 2.689 347 D HA 0.035 4.675 4.640 0.000 0.000 0.237 347 D C 1.214 177.531 176.300 0.028 0.000 1.148 347 D CA 2.900 56.913 54.000 0.022 0.000 0.656 347 D CB -0.994 39.813 40.800 0.013 0.000 1.050 347 D HN 2.498 nan 8.370 nan 0.000 0.426 348 G N -0.219 108.606 108.800 0.042 0.000 2.203 348 G HA2 -0.333 3.627 3.960 0.000 0.000 0.263 348 G HA3 -0.333 3.627 3.960 0.000 0.000 0.263 348 G C 0.242 175.194 174.900 0.086 0.000 1.012 348 G CA 0.995 46.124 45.100 0.049 0.000 0.749 348 G HN 0.675 nan 8.290 nan 0.000 0.512 349 Q N -2.164 117.699 119.800 0.106 0.000 2.615 349 Q HA 0.769 5.109 4.340 0.000 0.000 0.298 349 Q C -1.099 174.943 176.000 0.069 0.000 1.023 349 Q CA -0.869 54.984 55.803 0.085 0.000 0.768 349 Q CB 2.986 31.741 28.738 0.027 0.000 1.500 349 Q HN 0.536 nan 8.270 nan 0.000 0.441 350 V N -0.083 119.801 119.914 -0.050 0.000 2.841 350 V HA 0.843 4.963 4.120 0.000 0.000 0.310 350 V C -1.584 174.373 176.094 -0.229 0.000 1.090 350 V CA -0.480 61.637 62.300 -0.305 0.000 0.930 350 V CB 1.844 33.345 31.823 -0.537 0.000 1.014 350 V HN 0.868 nan 8.190 nan 0.000 0.425 351 A N 5.741 128.405 122.820 -0.260 0.000 2.301 351 A HA 0.705 5.025 4.320 0.000 0.000 0.298 351 A C -0.699 176.766 177.584 -0.198 0.000 1.185 351 A CA -0.391 51.541 52.037 -0.176 0.000 0.830 351 A CB 0.791 19.711 19.000 -0.134 0.000 1.112 351 A HN 1.161 nan 8.150 nan 0.000 0.508 352 L N 5.893 127.012 121.223 -0.172 0.000 2.278 352 L HA 0.420 4.760 4.340 0.000 0.000 0.287 352 L C -1.917 174.851 176.870 -0.170 0.000 1.072 352 L CA -1.623 53.082 54.840 -0.225 0.000 0.819 352 L CB 0.551 42.464 42.059 -0.243 0.000 1.176 352 L HN 0.482 nan 8.230 nan 0.000 0.435 353 P HA 0.042 nan 4.420 nan 0.000 0.269 353 P C -0.883 176.417 177.300 -0.001 0.000 1.209 353 P CA -0.083 62.986 63.100 -0.053 0.000 0.776 353 P CB 0.697 32.391 31.700 -0.010 0.000 0.876 354 Q N 0.168 119.977 119.800 0.015 0.000 2.115 354 Q HA 0.135 4.476 4.340 0.000 0.000 0.249 354 Q C 0.445 176.466 176.000 0.035 0.000 0.830 354 Q CA 0.074 55.901 55.803 0.039 0.000 1.104 354 Q CB 0.400 29.145 28.738 0.012 0.000 1.207 354 Q HN 0.592 nan 8.270 nan 0.000 0.464 355 T N -2.216 112.358 114.554 0.034 0.000 2.862 355 T HA 0.529 4.879 4.350 0.000 0.000 0.276 355 T C -2.561 172.147 174.700 0.013 0.000 0.974 355 T CA -2.104 60.006 62.100 0.017 0.000 0.966 355 T CB 1.034 69.908 68.868 0.011 0.000 1.072 355 T HN -0.163 nan 8.240 nan 0.000 0.538 356 P HA 0.309 nan 4.420 nan 0.000 0.262 356 P C 0.992 178.270 177.300 -0.036 0.000 1.182 356 P CA 1.666 64.755 63.100 -0.018 0.000 0.761 356 P CB -0.221 31.470 31.700 -0.015 0.000 0.795 357 G N 2.194 110.951 108.800 -0.073 0.000 2.525 357 G HA2 -0.304 3.657 3.960 0.000 0.000 0.248 357 G HA3 -0.304 3.657 3.960 0.000 0.000 0.248 357 G C 0.752 175.534 174.900 -0.198 0.000 1.238 357 G CA -0.012 45.016 45.100 -0.121 0.000 0.926 357 G HN 0.444 nan 8.290 nan 0.000 0.574 358 L N 1.357 122.479 121.223 -0.168 0.000 2.141 358 L HA 0.271 4.612 4.340 0.000 0.000 0.209 358 L C 2.613 179.549 176.870 0.111 0.000 1.094 358 L CA 1.749 56.515 54.840 -0.123 0.000 0.763 358 L CB -0.609 41.420 42.059 -0.050 0.000 0.908 358 L HN 2.242 nan 8.230 nan 0.000 0.437 359 G N 0.022 108.846 108.800 0.041 0.000 2.144 359 G HA2 -0.204 3.757 3.960 0.000 0.000 0.218 359 G HA3 -0.204 3.757 3.960 0.000 0.000 0.218 359 G C 0.094 175.011 174.900 0.030 0.000 0.988 359 G CA 0.018 45.150 45.100 0.052 0.000 0.659 359 G HN 0.298 nan 8.290 nan 0.000 0.522 360 V N -2.946 116.980 119.914 0.021 0.000 2.962 360 V HA 0.964 5.084 4.120 0.000 0.000 0.313 360 V C -0.527 175.569 176.094 0.005 0.000 1.099 360 V CA -1.383 60.925 62.300 0.013 0.000 0.971 360 V CB 2.210 34.043 31.823 0.016 0.000 1.028 360 V HN 0.272 nan 8.190 nan 0.000 0.430 361 E N 1.691 121.892 120.200 0.001 0.000 2.227 361 E HA 0.662 5.013 4.350 0.000 0.000 0.268 361 E C -1.180 175.412 176.600 -0.013 0.000 0.907 361 E CA -0.806 55.591 56.400 -0.005 0.000 0.786 361 E CB 1.918 31.615 29.700 -0.006 0.000 1.191 361 E HN 0.913 nan 8.360 nan 0.000 0.411 362 L N 3.127 124.336 121.223 -0.023 0.000 2.367 362 L HA 0.263 4.603 4.340 0.000 0.000 0.275 362 L C -0.471 176.359 176.870 -0.067 0.000 1.129 362 L CA 0.358 55.167 54.840 -0.051 0.000 0.839 362 L CB 0.798 42.816 42.059 -0.069 0.000 1.133 362 L HN 0.445 nan 8.230 nan 0.000 0.453 363 D N 4.363 124.718 120.400 -0.075 0.000 2.456 363 D HA 0.054 4.694 4.640 0.000 0.000 0.219 363 D C 0.748 176.965 176.300 -0.138 0.000 1.126 363 D CA -0.148 53.809 54.000 -0.071 0.000 0.890 363 D CB 0.831 41.612 40.800 -0.030 0.000 1.025 363 D HN 0.608 nan 8.370 nan 0.000 0.511 364 E N 2.529 122.630 120.200 -0.165 0.000 2.065 364 E HA -0.221 4.129 4.350 0.000 0.000 0.201 364 E C 0.864 177.288 176.600 -0.294 0.000 1.016 364 E CA 1.388 57.614 56.400 -0.291 0.000 0.818 364 E CB 0.224 29.843 29.700 -0.134 0.000 0.749 364 E HN 0.588 nan 8.360 nan 0.000 0.453 365 D N 0.616 120.962 120.400 -0.090 0.000 2.084 365 D HA -0.118 4.522 4.640 0.000 0.000 0.194 365 D C 1.930 178.221 176.300 -0.015 0.000 0.990 365 D CA 1.085 55.078 54.000 -0.010 0.000 0.826 365 D CB -0.235 40.554 40.800 -0.017 0.000 0.971 365 D HN 0.141 nan 8.370 nan 0.000 0.453 366 K N -0.012 120.378 120.400 -0.017 0.000 2.097 366 K HA -0.126 4.194 4.320 0.000 0.000 0.206 366 K C 2.076 178.757 176.600 0.135 0.000 1.049 366 K CA 0.369 56.717 56.287 0.101 0.000 0.933 366 K CB -0.227 32.376 32.500 0.172 0.000 0.717 366 K HN 0.050 nan 8.250 nan 0.000 0.442 367 L N 1.140 122.307 121.223 -0.093 0.000 1.989 367 L HA -0.205 4.135 4.340 0.000 0.000 0.211 367 L C 2.198 178.926 176.870 -0.236 0.000 1.071 367 L CA 1.945 56.632 54.840 -0.256 0.000 0.749 367 L CB -0.588 41.103 42.059 -0.613 0.000 0.890 367 L HN 0.244 nan 8.230 nan 0.000 0.431 368 H N -1.530 117.463 119.070 -0.129 0.000 2.387 368 H HA -0.168 4.388 4.556 0.000 0.000 0.299 368 H C 2.070 177.378 175.328 -0.033 0.000 1.090 368 H CA 1.780 57.774 56.048 -0.090 0.000 1.332 368 H CB -0.644 29.087 29.762 -0.051 0.000 1.386 368 H HN 0.456 nan 8.280 nan 0.000 0.516 369 F N 0.716 120.618 119.950 -0.080 0.000 2.171 369 F HA -0.209 4.318 4.527 0.000 0.000 0.300 369 F C 1.455 177.067 175.800 -0.314 0.000 1.090 369 F CA 1.101 58.952 58.000 -0.247 0.000 1.293 369 F CB -0.194 38.540 39.000 -0.443 0.000 1.013 369 F HN -0.004 nan 8.300 nan 0.000 0.486 370 Y N -0.258 120.047 120.300 0.009 0.000 2.457 370 Y HA 0.190 4.740 4.550 0.000 0.000 0.263 370 Y C 1.107 176.978 175.900 -0.048 0.000 1.164 370 Y CA -0.158 57.906 58.100 -0.061 0.000 1.274 370 Y CB -1.006 37.478 38.460 0.041 0.000 1.097 370 Y HN -0.293 nan 8.280 nan 0.000 0.523 371 T N 1.424 116.027 114.554 0.082 0.000 2.934 371 T HA -0.037 4.313 4.350 0.000 0.000 0.306 371 T C 1.486 176.236 174.700 0.083 0.000 1.042 371 T CA -0.015 62.154 62.100 0.114 0.000 1.145 371 T CB 1.003 69.960 68.868 0.149 0.000 0.982 371 T HN 0.360 nan 8.240 nan 0.000 0.544 372 R N 2.261 122.826 120.500 0.108 0.000 2.082 372 R HA -0.001 4.339 4.340 0.000 0.000 0.228 372 R C 0.922 177.254 176.300 0.052 0.000 1.140 372 R CA 1.373 57.515 56.100 0.069 0.000 0.920 372 R CB 0.128 30.475 30.300 0.077 0.000 0.828 372 R HN 0.791 nan 8.270 nan 0.000 0.430 373 Q N 0.000 119.845 119.800 0.076 0.000 2.315 373 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 373 Q CA 0.000 55.839 55.803 0.059 0.000 1.022 373 Q CB 0.000 28.759 28.738 0.034 0.000 1.108 373 Q HN 0.000 nan 8.270 nan 0.000 0.481